NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22362 | 2jo0 | 15137 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -2.523 -3.073 -1.928 2 HA MET 1 HA MET 1 -1.904 -5.254 -3.799 3 HB2 MET 1 HB2 MET 1 -2.238 -2.289 -4.342 4 HB3 MET 1 HB3 MET 1 -1.228 -3.329 -5.361 5 HG2 MET 1 HG2 MET 1 -3.427 -3.224 -6.343 6 HG3 MET 1 HG3 MET 1 -3.110 -4.849 -5.753 7 HE1 MET 1 HE3 MET 1 -4.988 -1.438 -5.001 8 HE2 MET 1 HE1 MET 1 -5.784 -2.426 -6.249 9 HE3 MET 1 HE2 MET 1 -6.592 -2.143 -4.695 10 H SER 2 H SER 2 -0.184 -2.109 -3.158 11 HA SER 2 HA SER 2 2.270 -3.632 -2.778 12 HB2 SER 2 HB2 SER 2 3.057 -1.102 -2.443 13 HB3 SER 2 HB3 SER 2 2.792 -1.843 -4.027 14 HG SER 2 HG SER 2 1.765 0.201 -3.820 15 HA PRO 3 HA PRO 3 2.029 -2.220 1.742 16 HB2 PRO 3 HB2 PRO 3 -0.042 -0.822 2.797 17 HB3 PRO 3 HB3 PRO 3 1.285 -0.011 1.916 18 HG2 PRO 3 HG2 PRO 3 -1.434 -0.817 0.829 19 HG3 PRO 3 HG3 PRO 3 -0.612 0.768 0.687 20 HD2 PRO 3 HD2 PRO 3 -0.505 -1.115 -1.285 21 HD3 PRO 3 HD3 PRO 3 0.875 -0.035 -0.929 22 H THR 4 H THR 4 1.600 -4.525 1.048 23 HA THR 4 HA THR 4 -0.643 -5.771 2.446 24 HB THR 4 HB THR 4 -0.529 -6.070 -0.589 25 HG1 THR 4 HG1 THR 4 -1.811 -4.306 1.039 26 HG21 THR 4 HG23 THR 4 -1.468 -8.027 0.634 27 HG22 THR 4 HG21 THR 4 -2.626 -6.941 1.431 28 HG23 THR 4 HG22 THR 4 -2.697 -7.186 -0.330 29 H SER 5 H SER 5 0.724 -7.037 3.507 30 HA SER 5 HA SER 5 2.528 -8.915 2.009 31 HB2 SER 5 HB2 SER 5 3.135 -8.260 4.849 32 HB3 SER 5 HB3 SER 5 4.231 -8.564 3.501 33 HG SER 5 HG SER 5 2.815 -6.243 4.241 34 H ILE 6 H ILE 6 2.726 -11.017 3.037 35 HA ILE 6 HA ILE 6 0.432 -12.208 4.043 36 HB ILE 6 HB ILE 6 1.933 -13.710 3.337 37 HG12 ILE 6 HG12 ILE 6 2.485 -15.192 5.061 38 HG13 ILE 6 HG13 ILE 6 2.623 -13.962 6.277 39 HG21 ILE 6 HG21 ILE 6 4.174 -12.494 5.025 40 HG22 ILE 6 HG22 ILE 6 4.288 -13.836 3.892 41 HG23 ILE 6 HG23 ILE 6 3.968 -12.272 3.255 42 HD11 ILE 6 HD13 ILE 6 0.317 -13.805 6.645 43 HD12 ILE 6 HD11 ILE 6 -0.107 -14.530 5.094 44 HD13 ILE 6 HD12 ILE 6 0.593 -15.515 6.420 45 H LEU 7 H LEU 7 3.157 -11.344 6.266 46 HA LEU 7 HA LEU 7 1.570 -11.750 8.485 47 HB2 LEU 7 HB2 LEU 7 3.455 -10.646 9.759 48 HB3 LEU 7 HB3 LEU 7 3.871 -11.980 8.698 49 HG LEU 7 HG LEU 7 4.743 -10.421 6.990 50 HD11 LEU 7 HD11 LEU 7 4.102 -8.265 9.049 51 HD12 LEU 7 HD12 LEU 7 5.142 -8.041 7.622 52 HD13 LEU 7 HD13 LEU 7 3.431 -8.398 7.406 53 HD21 LEU 7 HD23 LEU 7 5.878 -9.978 9.783 54 HD22 LEU 7 HD21 LEU 7 6.212 -11.366 8.718 55 HD23 LEU 7 HD22 LEU 7 6.738 -9.746 8.243 56 H ASP 8 H ASP 8 0.715 -9.489 6.573 57 HA ASP 8 HA ASP 8 -0.571 -7.895 8.719 58 HB2 ASP 8 HB2 ASP 8 -0.621 -5.940 7.450 59 HB3 ASP 8 HB3 ASP 8 1.048 -6.529 7.628 60 H ILE 9 H ILE 9 -0.928 -9.665 5.775 61 HA ILE 9 HA ILE 9 -3.885 -9.470 5.974 62 HB ILE 9 HB ILE 9 -4.111 -10.618 3.926 63 HG12 ILE 9 HG12 ILE 9 -1.179 -10.874 3.326 64 HG13 ILE 9 HG13 ILE 9 -1.885 -12.090 4.383 65 HG21 ILE 9 HG21 ILE 9 -1.860 -8.640 3.522 66 HG22 ILE 9 HG22 ILE 9 -3.086 -9.149 2.339 67 HG23 ILE 9 HG23 ILE 9 -3.564 -8.215 3.779 68 HD11 ILE 9 HD13 ILE 9 -3.622 -12.570 2.701 69 HD12 ILE 9 HD11 ILE 9 -2.877 -11.387 1.601 70 HD13 ILE 9 HD12 ILE 9 -1.979 -12.846 2.078 71 H ARG 10 H ARG 10 -1.854 -10.966 7.584 72 HA ARG 10 HA ARG 10 -2.184 -13.734 7.357 73 HB2 ARG 10 HB2 ARG 10 -0.931 -13.949 9.383 74 HB3 ARG 10 HB3 ARG 10 -0.321 -12.622 8.454 75 HG2 ARG 10 HG2 ARG 10 -0.246 -11.770 10.535 76 HG3 ARG 10 HG3 ARG 10 -1.741 -11.059 9.965 77 HD2 ARG 10 HD2 ARG 10 -3.075 -12.368 11.379 78 HD3 ARG 10 HD3 ARG 10 -1.934 -13.704 11.447 79 HE ARG 10 HE ARG 10 -0.506 -11.694 12.611 80 HH11 ARG 10 HH11 ARG 10 -3.744 -12.776 13.408 81 HH12 ARG 10 HH12 ARG 10 -3.547 -12.390 15.097 82 HH21 ARG 10 HH21 ARG 10 -0.322 -11.270 14.754 83 HH22 ARG 10 HH22 ARG 10 -1.670 -11.473 15.826 84 H GLN 11 H GLN 11 -4.780 -12.175 7.949 85 HA GLN 11 HA GLN 11 -6.304 -12.140 9.949 86 HB2 GLN 11 HB2 GLN 11 -7.124 -12.278 7.652 87 HB3 GLN 11 HB3 GLN 11 -6.943 -14.030 7.646 88 HG2 GLN 11 HG2 GLN 11 -8.685 -14.198 9.434 89 HG3 GLN 11 HG3 GLN 11 -8.873 -12.440 9.403 90 HE21 GLN 11 HE22 GLN 11 -10.894 -14.639 8.721 91 HE22 GLN 11 HE21 GLN 11 -11.308 -14.283 7.049 92 H GLY 12 H GLY 12 -5.652 -15.423 8.842 93 HA2 GLY 12 HA2 GLY 12 -4.579 -16.624 10.795 94 HA3 GLY 12 HA3 GLY 12 -6.240 -16.699 11.460 95 HA PRO 13 HA PRO 13 -6.625 -18.658 6.990 96 HB2 PRO 13 HB2 PRO 13 -4.380 -19.092 5.471 97 HB3 PRO 13 HB3 PRO 13 -5.132 -17.496 5.708 98 HG2 PRO 13 HG2 PRO 13 -2.819 -18.655 7.324 99 HG3 PRO 13 HG3 PRO 13 -2.864 -17.095 6.464 100 HD2 PRO 13 HD2 PRO 13 -3.418 -17.380 9.074 101 HD3 PRO 13 HD3 PRO 13 -4.280 -16.196 8.018 102 H LYS 14 H LYS 14 -6.092 -20.210 9.396 103 HA LYS 14 HA LYS 14 -4.849 -22.685 9.161 104 HB2 LYS 14 HB2 LYS 14 -7.569 -22.091 10.339 105 HB3 LYS 14 HB3 LYS 14 -6.718 -23.638 10.488 106 HG2 LYS 14 HG2 LYS 14 -4.828 -22.571 11.614 107 HG3 LYS 14 HG3 LYS 14 -5.633 -20.988 11.506 108 HD2 LYS 14 HD2 LYS 14 -7.485 -21.780 12.902 109 HD3 LYS 14 HD3 LYS 14 -6.862 -23.432 12.864 110 HE2 LYS 14 HE2 LYS 14 -6.378 -22.422 15.007 111 HE3 LYS 14 HE3 LYS 14 -4.887 -22.805 14.142 112 HZ1 LYS 14 HZ3 LYS 14 -4.654 -20.489 13.564 113 HZ2 LYS 14 HZ1 LYS 14 -6.112 -20.101 14.225 114 HZ3 LYS 14 HZ2 LYS 14 -4.870 -20.582 15.190 115 H GLU 15 H GLU 15 -7.869 -22.014 7.372 116 HA GLU 15 HA GLU 15 -7.736 -24.812 6.349 117 HB2 GLU 15 HB2 GLU 15 -10.212 -24.869 6.537 118 HB3 GLU 15 HB3 GLU 15 -9.305 -24.835 8.027 119 HG2 GLU 15 HG2 GLU 15 -11.295 -23.503 8.254 120 HG3 GLU 15 HG3 GLU 15 -9.862 -22.504 8.431 121 HA PRO 16 HA PRO 16 -9.659 -22.577 2.652 122 HB2 PRO 16 HB2 PRO 16 -9.246 -19.981 2.123 123 HB3 PRO 16 HB3 PRO 16 -10.345 -20.470 3.444 124 HG2 PRO 16 HG2 PRO 16 -7.464 -19.551 3.661 125 HG3 PRO 16 HG3 PRO 16 -8.876 -19.062 4.646 126 HD2 PRO 16 HD2 PRO 16 -7.034 -21.086 5.248 127 HD3 PRO 16 HD3 PRO 16 -8.637 -20.905 6.007 128 H PHE 17 H PHE 17 -7.526 -24.086 2.746 129 HA PHE 17 HA PHE 17 -5.012 -23.312 2.266 130 HB2 PHE 17 HB2 PHE 17 -6.426 -25.804 1.831 131 HB3 PHE 17 HB3 PHE 17 -5.182 -25.612 0.635 132 HD1 PHE 17 HD1 PHE 17 -5.433 -24.893 4.364 133 HD2 PHE 17 HD2 PHE 17 -3.198 -26.703 1.134 134 HE1 PHE 17 HE1 PHE 17 -3.635 -25.566 5.955 135 HE2 PHE 17 HE2 PHE 17 -1.438 -27.396 2.759 136 HZ PHE 17 HZ PHE 17 -1.645 -26.790 5.138 137 H ARG 18 H ARG 18 -6.850 -24.182 -0.882 138 HA ARG 18 HA ARG 18 -4.580 -23.158 -2.288 139 HB2 ARG 18 HB2 ARG 18 -5.833 -23.778 -4.244 140 HB3 ARG 18 HB3 ARG 18 -5.818 -25.010 -2.996 141 HG2 ARG 18 HG2 ARG 18 -8.005 -25.142 -3.705 142 HG3 ARG 18 HG3 ARG 18 -8.158 -24.119 -2.270 143 HD2 ARG 18 HD2 ARG 18 -7.885 -22.110 -3.884 144 HD3 ARG 18 HD3 ARG 18 -7.929 -23.313 -5.146 145 HE ARG 18 HE ARG 18 -10.095 -22.734 -3.156 146 HH11 ARG 18 HH11 ARG 18 -9.528 -23.535 -6.540 147 HH12 ARG 18 HH12 ARG 18 -11.108 -22.928 -6.975 148 HH21 ARG 18 HH21 ARG 18 -11.763 -21.830 -3.796 149 HH22 ARG 18 HH22 ARG 18 -12.440 -22.051 -5.402 150 H ASP 19 H ASP 19 -7.704 -21.980 -1.437 151 HA ASP 19 HA ASP 19 -8.096 -19.745 -3.051 152 HB2 ASP 19 HB2 ASP 19 -9.008 -20.023 -0.154 153 HB3 ASP 19 HB3 ASP 19 -9.792 -19.103 -1.436 154 H TYR 20 H TYR 20 -6.190 -20.124 -0.329 155 HA TYR 20 HA TYR 20 -5.446 -17.207 -0.118 156 HB2 TYR 20 HB2 TYR 20 -6.679 -18.154 1.823 157 HB3 TYR 20 HB3 TYR 20 -5.354 -19.281 2.085 158 HD1 TYR 20 HD2 TYR 20 -3.072 -18.397 2.758 159 HD2 TYR 20 HD1 TYR 20 -6.547 -15.846 2.547 160 HE1 TYR 20 HE2 TYR 20 -1.959 -16.730 4.244 161 HE2 TYR 20 HE1 TYR 20 -5.450 -14.224 4.083 162 HH TYR 20 HH TYR 20 -3.587 -13.751 5.308 163 H VAL 21 H VAL 21 -4.092 -20.541 -0.237 164 HA VAL 21 HA VAL 21 -1.456 -19.864 0.425 165 HB VAL 21 HB VAL 21 -2.287 -22.222 0.133 166 HG11 VAL 21 HG11 VAL 21 -1.464 -22.116 -2.752 167 HG12 VAL 21 HG12 VAL 21 -2.351 -23.370 -1.842 168 HG13 VAL 21 HG13 VAL 21 -3.112 -21.823 -2.278 169 HG21 VAL 21 HG23 VAL 21 0.284 -21.751 -1.360 170 HG22 VAL 21 HG21 VAL 21 0.137 -21.400 0.368 171 HG23 VAL 21 HG22 VAL 21 -0.211 -23.017 -0.224 172 H ASP 22 H ASP 22 -3.024 -19.773 -2.803 173 HA ASP 22 HA ASP 22 -0.628 -19.289 -4.219 174 HB2 ASP 22 HB2 ASP 22 -3.565 -19.068 -4.615 175 HB3 ASP 22 HB3 ASP 22 -2.613 -17.990 -5.601 176 H ARG 23 H ARG 23 -2.859 -17.198 -2.695 177 HA ARG 23 HA ARG 23 -1.657 -14.629 -3.252 178 HB2 ARG 23 HB2 ARG 23 -3.263 -14.891 -0.755 179 HB3 ARG 23 HB3 ARG 23 -3.407 -13.755 -2.092 180 HG2 ARG 23 HG2 ARG 23 -4.466 -16.600 -1.958 181 HG3 ARG 23 HG3 ARG 23 -5.421 -15.146 -1.786 182 HD2 ARG 23 HD2 ARG 23 -3.820 -15.467 -4.312 183 HD3 ARG 23 HD3 ARG 23 -5.168 -16.589 -4.045 184 HE ARG 23 HE ARG 23 -6.115 -14.007 -3.513 185 HH11 ARG 23 HH11 ARG 23 -4.808 -15.740 -6.234 186 HH12 ARG 23 HH12 ARG 23 -5.747 -14.890 -7.426 187 HH21 ARG 23 HH21 ARG 23 -7.453 -12.991 -5.093 188 HH22 ARG 23 HH22 ARG 23 -7.258 -13.406 -6.771 189 H PHE 24 H PHE 24 -1.351 -16.888 -0.483 190 HA PHE 24 HA PHE 24 0.341 -15.247 1.125 191 HB2 PHE 24 HB2 PHE 24 -0.753 -17.073 2.148 192 HB3 PHE 24 HB3 PHE 24 -0.238 -18.201 0.914 193 HD1 PHE 24 HD2 PHE 24 1.916 -19.259 0.929 194 HD2 PHE 24 HD1 PHE 24 0.770 -16.538 4.041 195 HE1 PHE 24 HE2 PHE 24 4.021 -19.800 2.145 196 HE2 PHE 24 HE1 PHE 24 2.814 -17.241 5.349 197 HZ PHE 24 HZ PHE 24 4.568 -18.545 4.251 198 H TYR 25 H TYR 25 1.283 -18.019 -1.006 199 HA TYR 25 HA TYR 25 4.090 -17.487 -0.652 200 HB2 TYR 25 HB2 TYR 25 2.506 -19.308 -2.374 201 HB3 TYR 25 HB3 TYR 25 4.100 -18.891 -2.947 202 HD1 TYR 25 HD2 TYR 25 6.194 -19.474 -1.588 203 HD2 TYR 25 HD1 TYR 25 2.267 -20.907 -0.502 204 HE1 TYR 25 HE2 TYR 25 7.190 -21.550 -0.541 205 HE2 TYR 25 HE1 TYR 25 3.277 -22.793 0.660 206 HH TYR 25 HH TYR 25 5.122 -24.018 1.076 207 H LYS 26 H LYS 26 1.756 -16.346 -3.162 208 HA LYS 26 HA LYS 26 3.537 -15.095 -4.919 209 HB2 LYS 26 HB2 LYS 26 1.289 -15.266 -5.496 210 HB3 LYS 26 HB3 LYS 26 0.714 -14.498 -4.017 211 HG2 LYS 26 HG2 LYS 26 2.281 -12.936 -6.056 212 HG3 LYS 26 HG3 LYS 26 0.560 -13.228 -6.265 213 HD2 LYS 26 HD2 LYS 26 -0.106 -12.018 -4.396 214 HD3 LYS 26 HD3 LYS 26 1.427 -12.134 -3.578 215 HE2 LYS 26 HE2 LYS 26 0.804 -10.407 -6.012 216 HE3 LYS 26 HE3 LYS 26 1.067 -9.860 -4.346 217 HZ1 LYS 26 HZ3 LYS 26 3.340 -10.925 -4.575 218 HZ2 LYS 26 HZ1 LYS 26 3.071 -11.070 -6.156 219 HZ3 LYS 26 HZ2 LYS 26 3.116 -9.559 -5.497 220 H THR 27 H THR 27 2.711 -13.891 -1.679 221 HA THR 27 HA THR 27 4.402 -11.456 -2.169 222 HB THR 27 HB THR 27 3.645 -11.180 0.425 223 HG1 THR 27 HG1 THR 27 2.303 -12.998 0.525 224 HG21 THR 27 HG23 THR 27 3.270 -9.504 -1.304 225 HG22 THR 27 HG21 THR 27 1.950 -10.482 -2.001 226 HG23 THR 27 HG22 THR 27 1.782 -9.779 -0.388 227 H LEU 28 H LEU 28 4.130 -14.147 0.080 228 HA LEU 28 HA LEU 28 6.337 -13.711 1.748 229 HB2 LEU 28 HB2 LEU 28 4.468 -15.199 2.168 230 HB3 LEU 28 HB3 LEU 28 4.963 -16.225 0.849 231 HG LEU 28 HG LEU 28 5.438 -16.795 3.297 232 HD11 LEU 28 HD11 LEU 28 7.509 -17.171 1.109 233 HD12 LEU 28 HD12 LEU 28 7.322 -18.146 2.589 234 HD13 LEU 28 HD13 LEU 28 6.039 -18.122 1.350 235 HD21 LEU 28 HD23 LEU 28 8.096 -15.426 3.018 236 HD22 LEU 28 HD21 LEU 28 6.715 -14.720 3.881 237 HD23 LEU 28 HD22 LEU 28 7.377 -16.264 4.382 238 H ARG 29 H ARG 29 6.288 -15.304 -1.365 239 HA ARG 29 HA ARG 29 8.595 -16.717 -1.538 240 HB2 ARG 29 HB2 ARG 29 8.513 -16.297 -4.024 241 HB3 ARG 29 HB3 ARG 29 7.025 -16.780 -3.267 242 HG2 ARG 29 HG2 ARG 29 6.464 -15.070 -4.777 243 HG3 ARG 29 HG3 ARG 29 6.332 -14.359 -3.171 244 HD2 ARG 29 HD2 ARG 29 8.940 -13.960 -4.593 245 HD3 ARG 29 HD3 ARG 29 7.520 -13.125 -5.242 246 HE ARG 29 HE ARG 29 7.520 -12.722 -2.433 247 HH11 ARG 29 HH11 ARG 29 9.466 -11.694 -5.138 248 HH12 ARG 29 HH12 ARG 29 9.807 -10.142 -4.432 249 HH21 ARG 29 HH21 ARG 29 7.967 -10.811 -1.568 250 HH22 ARG 29 HH22 ARG 29 8.938 -9.628 -2.413 251 H ALA 30 H ALA 30 9.373 -13.830 -0.403 252 HA ALA 30 HA ALA 30 11.837 -13.461 -2.024 253 HB1 ALA 30 HB3 ALA 30 10.773 -11.443 -1.006 254 HB2 ALA 30 HB1 ALA 30 10.884 -12.195 0.605 255 HB3 ALA 30 HB2 ALA 30 12.359 -11.759 -0.278 256 H GLU 31 H GLU 31 10.626 -15.160 0.831 257 HA GLU 31 HA GLU 31 13.369 -15.835 1.731 258 HB2 GLU 31 HB2 GLU 31 10.615 -16.312 2.943 259 HB3 GLU 31 HB3 GLU 31 12.163 -16.699 3.710 260 HG2 GLU 31 HG2 GLU 31 12.800 -14.303 3.663 261 HG3 GLU 31 HG3 GLU 31 11.271 -13.900 2.877 262 H GLN 32 H GLN 32 10.583 -17.473 0.324 263 HA GLN 32 HA GLN 32 12.160 -19.918 -0.114 264 HB2 GLN 32 HB2 GLN 32 10.537 -21.394 0.975 265 HB3 GLN 32 HB3 GLN 32 11.424 -20.392 2.112 266 HG2 GLN 32 HG2 GLN 32 9.535 -19.202 2.785 267 HG3 GLN 32 HG3 GLN 32 8.786 -19.310 1.198 268 HE21 GLN 32 HE22 GLN 32 6.806 -20.094 1.735 269 HE22 GLN 32 HE21 GLN 32 6.634 -21.714 2.432 270 H ALA 33 H ALA 33 11.485 -18.419 -2.158 271 HA ALA 33 HA ALA 33 8.975 -18.693 -3.403 272 HB1 ALA 33 HB3 ALA 33 10.914 -17.259 -4.166 273 HB2 ALA 33 HB1 ALA 33 11.745 -18.714 -4.707 274 HB3 ALA 33 HB2 ALA 33 10.216 -18.228 -5.470 275 H SER 34 H SER 34 11.742 -20.913 -3.619 276 HA SER 34 HA SER 34 10.980 -22.471 -5.720 277 HB2 SER 34 HB2 SER 34 12.706 -23.420 -3.422 278 HB3 SER 34 HB3 SER 34 12.883 -23.778 -5.147 279 HG SER 34 HG SER 34 14.350 -22.175 -4.374 280 H GLN 35 H GLN 35 8.710 -22.690 -3.619 281 HA GLN 35 HA GLN 35 7.620 -24.199 -2.237 282 HB2 GLN 35 HB2 GLN 35 6.718 -24.379 -4.440 283 HB3 GLN 35 HB3 GLN 35 7.930 -25.542 -4.916 284 HG2 GLN 35 HG2 GLN 35 6.899 -27.268 -3.516 285 HG3 GLN 35 HG3 GLN 35 5.916 -26.059 -2.674 286 HE21 GLN 35 HE22 GLN 35 4.267 -24.910 -4.093 287 HE22 GLN 35 HE21 GLN 35 3.552 -25.902 -5.390 288 H GLU 36 H GLU 36 10.234 -24.212 -1.518 289 HA GLU 36 HA GLU 36 11.619 -26.663 -1.657 290 HB2 GLU 36 HB2 GLU 36 12.615 -24.443 -1.186 291 HB3 GLU 36 HB3 GLU 36 11.782 -24.407 0.381 292 HG2 GLU 36 HG2 GLU 36 12.991 -26.485 1.031 293 HG3 GLU 36 HG3 GLU 36 13.842 -26.457 -0.527 294 H VAL 37 H VAL 37 11.391 -28.543 -0.571 295 HA VAL 37 HA VAL 37 9.194 -29.202 0.881 296 HB VAL 37 HB VAL 37 11.098 -30.596 -0.200 297 HG11 VAL 37 HG11 VAL 37 11.934 -30.979 2.690 298 HG12 VAL 37 HG12 VAL 37 12.545 -31.831 1.264 299 HG13 VAL 37 HG13 VAL 37 12.868 -30.100 1.452 300 HG21 VAL 37 HG23 VAL 37 9.512 -31.660 2.173 301 HG22 VAL 37 HG21 VAL 37 8.914 -31.476 0.516 302 HG23 VAL 37 HG22 VAL 37 10.209 -32.640 0.862 303 H LYS 38 H LYS 38 11.985 -27.775 2.294 304 HA LYS 38 HA LYS 38 11.212 -28.338 5.057 305 HB2 LYS 38 HB2 LYS 38 13.070 -27.271 5.790 306 HB3 LYS 38 HB3 LYS 38 13.596 -27.936 4.257 307 HG2 LYS 38 HG2 LYS 38 13.335 -25.613 3.253 308 HG3 LYS 38 HG3 LYS 38 12.953 -25.014 4.875 309 HD2 LYS 38 HD2 LYS 38 15.129 -26.090 5.672 310 HD3 LYS 38 HD3 LYS 38 15.553 -26.318 3.976 311 HE2 LYS 38 HE2 LYS 38 14.929 -23.621 5.276 312 HE3 LYS 38 HE3 LYS 38 16.549 -24.314 5.143 313 HZ1 LYS 38 HZ3 LYS 38 16.114 -24.401 2.646 314 HZ2 LYS 38 HZ1 LYS 38 14.825 -23.556 2.832 315 HZ3 LYS 38 HZ2 LYS 38 16.240 -22.853 3.253 316 H ASN 39 H ASN 39 9.354 -26.730 3.104 317 HA ASN 39 HA ASN 39 8.811 -24.261 4.282 318 HB2 ASN 39 HB2 ASN 39 7.102 -24.108 2.891 319 HB3 ASN 39 HB3 ASN 39 7.990 -25.347 2.050 320 HD21 ASN 39 HD22 ASN 39 5.035 -24.355 2.905 321 HD22 ASN 39 HD21 ASN 39 4.202 -25.865 2.765 322 H ALA 40 H ALA 40 8.948 -26.425 6.408 323 HA ALA 40 HA ALA 40 6.574 -25.549 7.986 324 HB1 ALA 40 HB3 ALA 40 6.587 -28.013 7.571 325 HB2 ALA 40 HB1 ALA 40 8.214 -28.110 8.273 326 HB3 ALA 40 HB2 ALA 40 6.838 -27.618 9.279 327 H MET 41 H MET 41 8.558 -23.789 7.639 328 HA MET 41 HA MET 41 10.036 -23.702 10.214 329 HB2 MET 41 HB2 MET 41 11.299 -23.357 7.452 330 HB3 MET 41 HB3 MET 41 12.073 -22.934 8.991 331 HG2 MET 41 HG2 MET 41 11.641 -25.296 9.746 332 HG3 MET 41 HG3 MET 41 11.173 -25.698 8.115 333 HE1 MET 41 HE3 MET 41 13.395 -27.198 9.811 334 HE2 MET 41 HE1 MET 41 12.865 -27.674 8.186 335 HE3 MET 41 HE2 MET 41 14.601 -27.506 8.540 336 H THR 42 H THR 42 9.232 -21.723 7.231 337 HA THR 42 HA THR 42 9.110 -19.304 8.883 338 HB THR 42 HB THR 42 7.746 -18.976 6.324 339 HG1 THR 42 HG1 THR 42 9.904 -19.314 5.236 340 HG21 THR 42 HG23 THR 42 9.023 -17.256 7.599 341 HG22 THR 42 HG21 THR 42 10.525 -18.141 7.251 342 HG23 THR 42 HG22 THR 42 9.581 -17.410 5.930 343 H GLU 43 H GLU 43 7.008 -17.985 8.432 344 HA GLU 43 HA GLU 43 4.654 -18.935 9.645 345 HB2 GLU 43 HB2 GLU 43 3.680 -16.983 8.103 346 HB3 GLU 43 HB3 GLU 43 4.769 -16.623 9.453 347 HG2 GLU 43 HG2 GLU 43 6.608 -16.185 8.049 348 HG3 GLU 43 HG3 GLU 43 5.934 -17.123 6.710 349 H THR 44 H THR 44 5.778 -19.930 6.656 350 HA THR 44 HA THR 44 3.466 -20.452 5.075 351 HB THR 44 HB THR 44 5.368 -20.887 3.939 352 HG1 THR 44 HG1 THR 44 5.058 -23.500 4.868 353 HG21 THR 44 HG23 THR 44 7.078 -20.882 5.533 354 HG22 THR 44 HG21 THR 44 6.463 -22.318 6.376 355 HG23 THR 44 HG22 THR 44 7.211 -22.446 4.768 356 H LEU 45 H LEU 45 1.670 -21.334 5.615 357 HA LEU 45 HA LEU 45 1.713 -23.791 7.195 358 HB2 LEU 45 HB2 LEU 45 -0.271 -22.971 8.201 359 HB3 LEU 45 HB3 LEU 45 0.932 -21.693 8.273 360 HG LEU 45 HG LEU 45 -0.922 -21.711 5.908 361 HD11 LEU 45 HD11 LEU 45 -1.803 -20.720 8.577 362 HD12 LEU 45 HD12 LEU 45 -2.678 -20.720 6.999 363 HD13 LEU 45 HD13 LEU 45 -2.332 -22.245 7.793 364 HD21 LEU 45 HD23 LEU 45 0.062 -19.405 7.595 365 HD22 LEU 45 HD21 LEU 45 0.771 -19.894 6.061 366 HD23 LEU 45 HD22 LEU 45 -0.878 -19.298 6.075 367 H LEU 46 H LEU 46 1.790 -23.638 4.221 368 HA LEU 46 HA LEU 46 -0.125 -25.465 3.297 369 HB2 LEU 46 HB2 LEU 46 -1.437 -23.915 1.769 370 HB3 LEU 46 HB3 LEU 46 -1.860 -24.046 3.424 371 HG LEU 46 HG LEU 46 -1.477 -21.725 1.916 372 HD11 LEU 46 HD11 LEU 46 -2.527 -22.274 4.619 373 HD12 LEU 46 HD12 LEU 46 -2.366 -20.614 3.999 374 HD13 LEU 46 HD13 LEU 46 -3.340 -21.811 3.132 375 HD21 LEU 46 HD23 LEU 46 0.341 -21.385 4.218 376 HD22 LEU 46 HD21 LEU 46 0.858 -21.564 2.546 377 HD23 LEU 46 HD22 LEU 46 -0.177 -20.204 3.029 378 H VAL 47 H VAL 47 -0.134 -25.093 0.510 379 HA VAL 47 HA VAL 47 2.658 -24.630 -0.377 380 HB VAL 47 HB VAL 47 1.086 -27.224 -0.689 381 HG11 VAL 47 HG11 VAL 47 3.783 -26.424 -1.846 382 HG12 VAL 47 HG12 VAL 47 3.102 -28.064 -1.880 383 HG13 VAL 47 HG13 VAL 47 2.302 -26.769 -2.770 384 HG21 VAL 47 HG23 VAL 47 3.713 -26.620 0.734 385 HG22 VAL 47 HG21 VAL 47 2.164 -27.101 1.491 386 HG23 VAL 47 HG22 VAL 47 3.038 -28.244 0.473 387 H GLN 48 H GLN 48 2.628 -23.724 -2.475 388 HA GLN 48 HA GLN 48 0.498 -22.462 -3.578 389 HB2 GLN 48 HB2 GLN 48 2.764 -23.609 -5.201 390 HB3 GLN 48 HB3 GLN 48 1.677 -22.291 -5.635 391 HG2 GLN 48 HG2 GLN 48 3.180 -20.945 -4.700 392 HG3 GLN 48 HG3 GLN 48 2.500 -21.410 -3.176 393 HE21 GLN 48 HE22 GLN 48 5.448 -20.954 -4.612 394 HE22 GLN 48 HE21 GLN 48 6.355 -22.120 -3.675 395 H ASN 49 H ASN 49 -1.313 -22.860 -4.745 396 HA ASN 49 HA ASN 49 -3.208 -23.968 -5.059 397 HB2 ASN 49 HB2 ASN 49 -2.451 -23.861 -7.262 398 HB3 ASN 49 HB3 ASN 49 -1.297 -25.162 -7.027 399 HD21 ASN 49 HD22 ASN 49 -1.895 -26.665 -8.448 400 HD22 ASN 49 HD21 ASN 49 -3.527 -27.279 -8.663 401 H ALA 50 H ALA 50 -0.751 -26.133 -3.945 402 HA ALA 50 HA ALA 50 -0.610 -28.230 -3.207 403 HB1 ALA 50 HB3 ALA 50 -1.512 -27.159 -1.265 404 HB2 ALA 50 HB1 ALA 50 -3.170 -27.386 -1.825 405 HB3 ALA 50 HB2 ALA 50 -2.181 -28.792 -1.361 406 H ASN 51 H ASN 51 -2.034 -30.419 -2.686 407 HA ASN 51 HA ASN 51 -3.206 -31.159 -5.338 408 HB2 ASN 51 HB2 ASN 51 -2.144 -33.282 -5.095 409 HB3 ASN 51 HB3 ASN 51 -0.959 -32.060 -4.748 410 HD21 ASN 51 HD22 ASN 51 -0.102 -34.305 -3.915 411 HD22 ASN 51 HD21 ASN 51 -0.365 -34.571 -2.217 412 HA PRO 52 HA PRO 52 -7.023 -32.000 -3.538 413 HB2 PRO 52 HB2 PRO 52 -7.961 -34.459 -4.279 414 HB3 PRO 52 HB3 PRO 52 -7.697 -33.112 -5.427 415 HG2 PRO 52 HG2 PRO 52 -5.852 -35.437 -4.833 416 HG3 PRO 52 HG3 PRO 52 -6.352 -34.802 -6.432 417 HD2 PRO 52 HD2 PRO 52 -4.002 -34.144 -5.250 418 HD3 PRO 52 HD3 PRO 52 -4.893 -32.953 -6.250 419 H ASP 53 H ASP 53 -4.700 -34.435 -2.646 420 HA ASP 53 HA ASP 53 -6.027 -35.737 -0.461 421 HB2 ASP 53 HB2 ASP 53 -4.140 -36.742 -1.481 422 HB3 ASP 53 HB3 ASP 53 -3.161 -35.287 -1.357 423 H CYS 54 H CYS 54 -3.283 -33.498 -0.082 424 HA CYS 54 HA CYS 54 -3.673 -32.685 2.512 425 HB2 CYS 54 HB2 CYS 54 -1.698 -31.830 1.770 426 HB3 CYS 54 HB3 CYS 54 -2.306 -31.655 0.109 427 HG CYS 54 HG CYS 54 -2.609 -29.623 2.672 428 H LYS 55 H LYS 55 -5.123 -31.096 -0.324 429 HA LYS 55 HA LYS 55 -6.447 -28.979 1.047 430 HB2 LYS 55 HB2 LYS 55 -6.887 -30.455 -1.530 431 HB3 LYS 55 HB3 LYS 55 -8.319 -29.739 -0.856 432 HG2 LYS 55 HG2 LYS 55 -7.799 -27.789 -1.799 433 HG3 LYS 55 HG3 LYS 55 -6.538 -27.619 -0.602 434 HD2 LYS 55 HD2 LYS 55 -5.523 -27.155 -2.630 435 HD3 LYS 55 HD3 LYS 55 -4.955 -28.772 -2.251 436 HE2 LYS 55 HE2 LYS 55 -6.437 -29.767 -3.872 437 HE3 LYS 55 HE3 LYS 55 -7.397 -28.285 -4.001 438 HZ1 LYS 55 HZ3 LYS 55 -5.321 -27.218 -4.963 439 HZ2 LYS 55 HZ1 LYS 55 -4.615 -28.623 -5.023 440 HZ3 LYS 55 HZ2 LYS 55 -5.966 -28.372 -5.936 441 H THR 56 H THR 56 -7.838 -32.201 0.306 442 HA THR 56 HA THR 56 -10.338 -31.643 1.570 443 HB THR 56 HB THR 56 -9.098 -34.365 0.985 444 HG1 THR 56 HG1 THR 56 -9.096 -33.516 -0.928 445 HG21 THR 56 HG23 THR 56 -11.199 -34.560 2.254 446 HG22 THR 56 HG21 THR 56 -12.000 -33.421 1.145 447 HG23 THR 56 HG22 THR 56 -11.470 -35.017 0.569 448 H ILE 57 H ILE 57 -7.274 -32.664 2.799 449 HA ILE 57 HA ILE 57 -8.461 -33.824 5.292 450 HB ILE 57 HB ILE 57 -5.595 -33.529 4.345 451 HG12 ILE 57 HG12 ILE 57 -7.158 -36.092 4.857 452 HG13 ILE 57 HG13 ILE 57 -7.253 -35.259 3.305 453 HG21 ILE 57 HG21 ILE 57 -6.640 -34.761 6.947 454 HG22 ILE 57 HG22 ILE 57 -4.996 -34.986 6.320 455 HG23 ILE 57 HG23 ILE 57 -5.518 -33.385 6.795 456 HD11 ILE 57 HD13 ILE 57 -4.799 -35.331 3.080 457 HD12 ILE 57 HD11 ILE 57 -4.699 -36.316 4.557 458 HD13 ILE 57 HD12 ILE 57 -5.559 -36.939 3.135 459 H LEU 58 H LEU 58 -5.967 -31.251 4.694 460 HA LEU 58 HA LEU 58 -6.106 -30.378 7.401 461 HB2 LEU 58 HB2 LEU 58 -5.087 -28.867 4.954 462 HB3 LEU 58 HB3 LEU 58 -4.841 -28.423 6.649 463 HG LEU 58 HG LEU 58 -3.979 -30.981 6.807 464 HD11 LEU 58 HD11 LEU 58 -3.580 -30.187 3.956 465 HD12 LEU 58 HD12 LEU 58 -2.482 -31.364 4.728 466 HD13 LEU 58 HD13 LEU 58 -4.207 -31.704 4.642 467 HD21 LEU 58 HD23 LEU 58 -2.632 -28.395 6.162 468 HD22 LEU 58 HD21 LEU 58 -2.458 -29.461 7.564 469 HD23 LEU 58 HD22 LEU 58 -1.630 -29.836 6.031 470 H LYS 59 H LYS 59 -8.029 -29.574 4.691 471 HA LYS 59 HA LYS 59 -9.449 -27.309 5.457 472 HB2 LYS 59 HB2 LYS 59 -10.299 -29.878 4.199 473 HB3 LYS 59 HB3 LYS 59 -11.582 -28.820 4.758 474 HG2 LYS 59 HG2 LYS 59 -9.416 -27.537 3.121 475 HG3 LYS 59 HG3 LYS 59 -10.519 -28.635 2.308 476 HD2 LYS 59 HD2 LYS 59 -11.188 -26.262 2.149 477 HD3 LYS 59 HD3 LYS 59 -12.445 -27.286 2.863 478 HE2 LYS 59 HE2 LYS 59 -12.131 -26.395 5.036 479 HE3 LYS 59 HE3 LYS 59 -10.501 -25.858 4.667 480 HZ1 LYS 59 HZ3 LYS 59 -11.354 -24.116 3.288 481 HZ2 LYS 59 HZ1 LYS 59 -12.939 -24.562 3.590 482 HZ3 LYS 59 HZ2 LYS 59 -11.949 -23.984 4.752 483 H ALA 60 H ALA 60 -9.556 -30.342 7.138 484 HA ALA 60 HA ALA 60 -11.088 -29.012 9.357 485 HB1 ALA 60 HB3 ALA 60 -12.315 -30.922 8.414 486 HB2 ALA 60 HB1 ALA 60 -10.895 -31.972 8.643 487 HB3 ALA 60 HB2 ALA 60 -11.748 -31.295 10.054 488 H LEU 61 H LEU 61 -8.056 -30.499 8.421 489 HA LEU 61 HA LEU 61 -7.324 -31.018 11.217 490 HB2 LEU 61 HB2 LEU 61 -6.944 -32.587 9.013 491 HB3 LEU 61 HB3 LEU 61 -5.394 -31.783 9.080 492 HG LEU 61 HG LEU 61 -5.416 -32.352 11.643 493 HD11 LEU 61 HD11 LEU 61 -7.426 -34.416 10.628 494 HD12 LEU 61 HD12 LEU 61 -6.676 -34.369 12.243 495 HD13 LEU 61 HD13 LEU 61 -7.799 -33.096 11.749 496 HD21 LEU 61 HD23 LEU 61 -5.112 -34.579 9.597 497 HD22 LEU 61 HD21 LEU 61 -3.879 -33.406 10.096 498 HD23 LEU 61 HD22 LEU 61 -4.474 -34.589 11.262 499 H GLY 62 H GLY 62 -7.518 -28.523 11.190 500 HA2 GLY 62 HA2 GLY 62 -4.714 -27.434 11.180 501 HA3 GLY 62 HA3 GLY 62 -6.176 -26.460 11.157 502 HA PRO 63 HA PRO 63 -6.161 -27.772 15.722 503 HB2 PRO 63 HB2 PRO 63 -5.016 -30.005 16.731 504 HB3 PRO 63 HB3 PRO 63 -6.449 -30.121 15.674 505 HG2 PRO 63 HG2 PRO 63 -3.529 -30.350 14.825 506 HG3 PRO 63 HG3 PRO 63 -4.847 -31.540 14.548 507 HD2 PRO 63 HD2 PRO 63 -4.210 -29.670 12.679 508 HD3 PRO 63 HD3 PRO 63 -5.907 -30.168 12.995 509 H ALA 64 H ALA 64 -4.111 -26.285 14.405 510 HA ALA 64 HA ALA 64 -2.227 -25.090 14.698 511 HB1 ALA 64 HB3 ALA 64 -3.685 -24.381 16.577 512 HB2 ALA 64 HB1 ALA 64 -2.818 -25.514 17.642 513 HB3 ALA 64 HB2 ALA 64 -1.954 -24.153 16.908 514 H ALA 65 H ALA 65 -1.771 -28.295 15.256 515 HA ALA 65 HA ALA 65 1.191 -27.854 15.359 516 HB1 ALA 65 HB3 ALA 65 0.446 -28.607 17.565 517 HB2 ALA 65 HB1 ALA 65 -0.390 -30.002 16.850 518 HB3 ALA 65 HB2 ALA 65 1.384 -29.875 16.758 519 H THR 66 H THR 66 -0.907 -30.788 14.842 520 HA THR 66 HA THR 66 0.772 -32.058 13.132 521 HB THR 66 HB THR 66 -2.185 -32.270 12.571 522 HG1 THR 66 HG1 THR 66 -1.298 -33.718 14.669 523 HG21 THR 66 HG23 THR 66 -0.678 -33.879 11.454 524 HG22 THR 66 HG21 THR 66 0.044 -34.323 12.998 525 HG23 THR 66 HG22 THR 66 -1.665 -34.709 12.659 526 H LEU 67 H LEU 67 -0.933 -29.253 12.096 527 HA LEU 67 HA LEU 67 -1.181 -29.726 9.298 528 HB2 LEU 67 HB2 LEU 67 -2.036 -27.920 10.659 529 HB3 LEU 67 HB3 LEU 67 -0.436 -27.212 10.789 530 HG LEU 67 HG LEU 67 -2.373 -27.168 8.422 531 HD11 LEU 67 HD11 LEU 67 -0.394 -25.218 9.666 532 HD12 LEU 67 HD12 LEU 67 -1.620 -24.837 8.425 533 HD13 LEU 67 HD13 LEU 67 -2.132 -25.294 10.066 534 HD21 LEU 67 HD23 LEU 67 0.610 -26.944 8.123 535 HD22 LEU 67 HD21 LEU 67 -0.509 -28.149 7.390 536 HD23 LEU 67 HD22 LEU 67 -0.604 -26.450 6.946 537 H GLU 68 H GLU 68 1.577 -28.479 11.225 538 HA GLU 68 HA GLU 68 3.371 -27.921 9.232 539 HB2 GLU 68 HB2 GLU 68 4.115 -29.333 11.838 540 HB3 GLU 68 HB3 GLU 68 5.189 -28.343 10.828 541 HG2 GLU 68 HG2 GLU 68 3.596 -26.428 11.148 542 HG3 GLU 68 HG3 GLU 68 2.713 -27.440 12.292 543 H GLU 69 H GLU 69 2.624 -31.183 10.300 544 HA GLU 69 HA GLU 69 4.594 -32.310 8.352 545 HB2 GLU 69 HB2 GLU 69 3.728 -34.511 8.861 546 HB3 GLU 69 HB3 GLU 69 4.211 -33.621 10.307 547 HG2 GLU 69 HG2 GLU 69 1.998 -33.277 11.013 548 HG3 GLU 69 HG3 GLU 69 1.316 -33.815 9.470 549 H MET 70 H MET 70 1.104 -31.808 8.548 550 HA MET 70 HA MET 70 0.258 -33.354 6.299 551 HB2 MET 70 HB2 MET 70 -0.919 -31.022 7.690 552 HB3 MET 70 HB3 MET 70 -1.792 -32.065 6.537 553 HG2 MET 70 HG2 MET 70 -0.549 -33.254 8.889 554 HG3 MET 70 HG3 MET 70 -2.005 -32.256 9.070 555 HE1 MET 70 HE3 MET 70 -0.431 -35.641 8.169 556 HE2 MET 70 HE1 MET 70 -1.383 -35.569 9.661 557 HE3 MET 70 HE2 MET 70 -1.888 -36.639 8.339 558 H MET 71 H MET 71 1.313 -30.124 6.609 559 HA MET 71 HA MET 71 0.475 -28.718 4.330 560 HB2 MET 71 HB2 MET 71 1.662 -27.680 6.137 561 HB3 MET 71 HB3 MET 71 3.081 -28.690 5.919 562 HG2 MET 71 HG2 MET 71 3.860 -27.427 4.074 563 HG3 MET 71 HG3 MET 71 2.261 -26.814 3.687 564 HE1 MET 71 HE3 MET 71 3.343 -26.768 7.497 565 HE2 MET 71 HE1 MET 71 4.902 -26.827 6.639 566 HE3 MET 71 HE2 MET 71 4.413 -25.358 7.520 567 H THR 72 H THR 72 3.292 -30.849 4.694 568 HA THR 72 HA THR 72 3.684 -30.827 1.754 569 HB THR 72 HB THR 72 5.866 -31.733 3.429 570 HG1 THR 72 HG1 THR 72 5.823 -28.982 3.574 571 HG21 THR 72 HG23 THR 72 6.161 -31.145 1.047 572 HG22 THR 72 HG21 THR 72 5.669 -29.468 1.385 573 HG23 THR 72 HG22 THR 72 7.181 -30.109 2.067 574 H ALA 73 H ALA 73 3.061 -33.000 4.497 575 HA ALA 73 HA ALA 73 4.311 -35.335 3.526 576 HB1 ALA 73 HB3 ALA 73 3.352 -35.194 5.761 577 HB2 ALA 73 HB1 ALA 73 1.715 -35.013 5.089 578 HB3 ALA 73 HB2 ALA 73 2.600 -36.537 4.885 579 H CYS 74 H CYS 74 1.457 -33.712 2.402 580 HA CYS 74 HA CYS 74 0.146 -35.764 0.937 581 HB2 CYS 74 HB2 CYS 74 -0.848 -33.923 -0.270 582 HB3 CYS 74 HB3 CYS 74 -0.805 -33.629 1.456 583 HG CYS 74 HG CYS 74 0.831 -31.717 1.525 584 H GLN 75 H GLN 75 3.208 -34.231 0.210 585 HA GLN 75 HA GLN 75 3.149 -34.576 -2.639 586 HB2 GLN 75 HB2 GLN 75 5.307 -33.773 -2.588 587 HB3 GLN 75 HB3 GLN 75 4.499 -33.000 -1.221 588 HG2 GLN 75 HG2 GLN 75 6.609 -33.517 -0.362 589 HG3 GLN 75 HG3 GLN 75 5.588 -34.817 0.258 590 HE21 GLN 75 HE22 GLN 75 7.337 -34.356 -2.922 591 HE22 GLN 75 HE21 GLN 75 8.101 -35.939 -2.772 592 H GLY 76 H GLY 76 3.767 -36.831 -0.112 593 HA2 GLY 76 HA2 GLY 76 4.841 -38.858 -2.053 594 HA3 GLY 76 HA3 GLY 76 5.410 -38.697 -0.385 595 H VAL 77 H VAL 77 2.111 -38.065 -0.648 596 HA VAL 77 HA VAL 77 1.430 -40.039 1.208 597 HB VAL 77 HB VAL 77 0.207 -37.962 0.785 598 HG11 VAL 77 HG11 VAL 77 -1.190 -39.414 -1.504 599 HG12 VAL 77 HG12 VAL 77 -1.524 -37.795 -0.893 600 HG13 VAL 77 HG13 VAL 77 0.009 -38.117 -1.709 601 HG21 VAL 77 HG23 VAL 77 -1.649 -40.368 0.766 602 HG22 VAL 77 HG21 VAL 77 -0.739 -39.788 2.184 603 HG23 VAL 77 HG22 VAL 77 -1.958 -38.756 1.430 604 H GLY 78 H GLY 78 1.285 -40.509 -2.283 605 HA2 GLY 78 HA2 GLY 78 0.938 -42.410 -3.547 606 HA3 GLY 78 HA3 GLY 78 1.190 -43.335 -2.069 607 H GLY 79 H GLY 79 -1.540 -41.395 -1.506 608 HA2 GLY 79 HA2 GLY 79 -3.555 -43.022 -2.846 609 HA3 GLY 79 HA3 GLY 79 -3.323 -43.424 -1.143 610 HA PRO 80 HA PRO 80 -6.187 -39.720 -1.630 611 HB2 PRO 80 HB2 PRO 80 -8.666 -40.783 -1.600 612 HB3 PRO 80 HB3 PRO 80 -7.591 -41.049 -3.002 613 HG2 PRO 80 HG2 PRO 80 -8.010 -42.908 -0.625 614 HG3 PRO 80 HG3 PRO 80 -8.179 -43.305 -2.367 615 HD2 PRO 80 HD2 PRO 80 -5.854 -43.740 -0.961 616 HD3 PRO 80 HD3 PRO 80 -5.859 -43.296 -2.695 617 H GLY 81 H GLY 81 -5.261 -41.401 0.988 618 HA2 GLY 81 HA2 GLY 81 -5.592 -41.154 3.273 619 HA3 GLY 81 HA3 GLY 81 -6.766 -39.883 2.955 620 H HIS 82 H HIS 82 -7.727 -40.968 4.860 621 HA HIS 82 HA HIS 82 -9.573 -43.206 4.152 622 HB2 HIS 82 HB2 HIS 82 -8.863 -44.357 6.283 623 HB3 HIS 82 HB3 HIS 82 -7.724 -44.361 4.953 624 HD2 HIS 82 HD2 HIS 82 -8.001 -41.455 7.565 625 HE1 HIS 82 HE1 HIS 82 -4.142 -43.231 7.914 626 HE2 HIS 82 HE2 HIS 82 -5.646 -41.358 8.749 627 H LYS 83 H LYS 83 -10.661 -40.797 4.255 628 HA LYS 83 HA LYS 83 -12.106 -40.710 6.861 629 HB2 LYS 83 HB2 LYS 83 -10.085 -39.229 6.893 630 HB3 LYS 83 HB3 LYS 83 -10.752 -38.318 5.547 631 HG2 LYS 83 HG2 LYS 83 -11.059 -37.190 7.707 632 HG3 LYS 83 HG3 LYS 83 -12.607 -37.544 6.947 633 HD2 LYS 83 HD2 LYS 83 -12.983 -39.435 8.437 634 HD3 LYS 83 HD3 LYS 83 -11.359 -39.295 9.127 635 HE2 LYS 83 HE2 LYS 83 -13.458 -37.081 9.270 636 HE3 LYS 83 HE3 LYS 83 -13.358 -38.357 10.470 637 HZ1 LYS 83 HZ3 LYS 83 -11.160 -37.612 11.082 638 HZ2 LYS 83 HZ1 LYS 83 -11.173 -36.438 9.899 639 HZ3 LYS 83 HZ2 LYS 83 -12.232 -36.368 11.120 640 H ALA 84 H ALA 84 -13.768 -41.696 5.605 641 HA ALA 84 HA ALA 84 -14.905 -40.856 3.256 642 HB1 ALA 84 HB3 ALA 84 -15.317 -43.008 4.376 643 HB2 ALA 84 HB1 ALA 84 -16.294 -42.184 5.620 644 HB3 ALA 84 HB2 ALA 84 -16.838 -42.217 3.931 645 H ARG 85 H ARG 85 -15.227 -39.018 6.112 646 HA ARG 85 HA ARG 85 -16.652 -37.004 4.672 647 HB2 ARG 85 HB2 ARG 85 -18.576 -36.664 5.997 648 HB3 ARG 85 HB3 ARG 85 -18.563 -38.372 5.629 649 HG2 ARG 85 HG2 ARG 85 -19.102 -38.515 7.844 650 HG3 ARG 85 HG3 ARG 85 -17.348 -38.541 8.027 651 HD2 ARG 85 HD2 ARG 85 -17.516 -35.964 8.255 652 HD3 ARG 85 HD3 ARG 85 -19.250 -36.163 8.359 653 HE ARG 85 HE ARG 85 -17.218 -36.708 10.371 654 HH11 ARG 85 HH11 ARG 85 -20.530 -37.427 9.546 655 HH12 ARG 85 HH12 ARG 85 -20.999 -37.681 11.204 656 HH21 ARG 85 HH21 ARG 85 -17.870 -36.974 12.467 657 HH22 ARG 85 HH22 ARG 85 -19.510 -37.414 12.828 658 H VAL 86 H VAL 86 -16.071 -34.934 5.497 659 HA VAL 86 HA VAL 86 -13.893 -34.943 7.470 660 HB VAL 86 HB VAL 86 -13.879 -32.463 7.117 661 HG11 VAL 86 HG11 VAL 86 -13.457 -34.225 4.673 662 HG12 VAL 86 HG12 VAL 86 -12.731 -32.631 4.961 663 HG13 VAL 86 HG13 VAL 86 -12.308 -33.985 6.009 664 HG21 VAL 86 HG23 VAL 86 -15.721 -33.050 4.754 665 HG22 VAL 86 HG21 VAL 86 -16.170 -32.126 6.207 666 HG23 VAL 86 HG22 VAL 86 -14.909 -31.520 5.130 667 H LEU 87 H LEU 87 -14.012 -34.620 9.486 668 HA LEU 87 HA LEU 87 -15.131 -32.668 10.985 669 HB2 LEU 87 HB2 LEU 87 -17.205 -34.558 10.521 670 HB3 LEU 87 HB3 LEU 87 -16.531 -35.005 12.088 671 HG LEU 87 HG LEU 87 -18.436 -33.590 12.357 672 HD11 LEU 87 HD11 LEU 87 -15.976 -31.915 12.974 673 HD12 LEU 87 HD12 LEU 87 -17.564 -31.815 13.757 674 HD13 LEU 87 HD13 LEU 87 -16.549 -33.262 13.955 675 HD21 LEU 87 HD23 LEU 87 -16.997 -31.480 10.707 676 HD22 LEU 87 HD21 LEU 87 -18.379 -32.448 10.173 677 HD23 LEU 87 HD22 LEU 87 -18.566 -31.300 11.515 Start of MODEL 2 1 H1 MET 1 H1 MET 1 4.784 -11.598 -7.750 2 H2 MET 1 H2 MET 1 4.394 -12.063 -6.214 3 H3 MET 1 H3 MET 1 5.957 -12.042 -6.685 4 HA MET 1 HA MET 1 5.353 -10.165 -5.247 5 HB2 MET 1 HB2 MET 1 6.155 -9.290 -8.040 6 HB3 MET 1 HB3 MET 1 6.303 -8.367 -6.539 7 HG2 MET 1 HG2 MET 1 8.444 -9.219 -6.821 8 HG3 MET 1 HG3 MET 1 7.728 -10.347 -5.667 9 HE1 MET 1 HE3 MET 1 10.288 -11.339 -6.812 10 HE2 MET 1 HE1 MET 1 9.170 -12.419 -5.944 11 HE3 MET 1 HE2 MET 1 9.881 -12.933 -7.487 12 H SER 2 H SER 2 3.218 -9.771 -4.617 13 HA SER 2 HA SER 2 1.825 -7.787 -6.314 14 HB2 SER 2 HB2 SER 2 -0.149 -8.997 -6.718 15 HB3 SER 2 HB3 SER 2 1.104 -10.188 -7.017 16 HG SER 2 HG SER 2 -0.641 -9.922 -4.790 17 HA PRO 3 HA PRO 3 -0.070 -6.735 -2.267 18 HB2 PRO 3 HB2 PRO 3 -2.417 -5.575 -3.006 19 HB3 PRO 3 HB3 PRO 3 -0.844 -4.744 -3.223 20 HG2 PRO 3 HG2 PRO 3 -2.420 -6.318 -5.286 21 HG3 PRO 3 HG3 PRO 3 -1.692 -4.689 -5.464 22 HD2 PRO 3 HD2 PRO 3 -0.450 -6.941 -6.361 23 HD3 PRO 3 HD3 PRO 3 0.480 -5.586 -5.668 24 H THR 4 H THR 4 -2.137 -7.471 -1.144 25 HA THR 4 HA THR 4 -3.101 -9.371 -0.287 26 HB THR 4 HB THR 4 -4.494 -9.439 -2.957 27 HG1 THR 4 HG1 THR 4 -4.545 -7.668 -0.753 28 HG21 THR 4 HG23 THR 4 -5.233 -11.202 -1.281 29 HG22 THR 4 HG21 THR 4 -5.551 -9.878 -0.133 30 HG23 THR 4 HG22 THR 4 -6.471 -9.989 -1.642 31 H SER 5 H SER 5 -0.581 -9.840 -1.239 32 HA SER 5 HA SER 5 -0.349 -12.479 -2.420 33 HB2 SER 5 HB2 SER 5 2.054 -12.116 -1.441 34 HB3 SER 5 HB3 SER 5 1.533 -11.159 -2.856 35 HG SER 5 HG SER 5 1.860 -9.482 -1.705 36 H ILE 6 H ILE 6 0.553 -11.092 0.710 37 HA ILE 6 HA ILE 6 -0.537 -13.249 2.270 38 HB ILE 6 HB ILE 6 1.056 -14.662 1.783 39 HG12 ILE 6 HG12 ILE 6 2.680 -14.931 3.582 40 HG13 ILE 6 HG13 ILE 6 2.427 -13.280 4.103 41 HG21 ILE 6 HG21 ILE 6 3.076 -12.540 1.219 42 HG22 ILE 6 HG22 ILE 6 3.552 -14.237 1.490 43 HG23 ILE 6 HG23 ILE 6 2.439 -13.853 0.195 44 HD11 ILE 6 HD13 ILE 6 0.085 -13.791 4.687 45 HD12 ILE 6 HD11 ILE 6 0.224 -15.377 3.899 46 HD13 ILE 6 HD12 ILE 6 1.144 -15.022 5.393 47 H LEU 7 H LEU 7 2.312 -10.983 2.734 48 HA LEU 7 HA LEU 7 1.327 -10.124 5.295 49 HB2 LEU 7 HB2 LEU 7 3.321 -8.530 4.966 50 HB3 LEU 7 HB3 LEU 7 3.580 -10.231 5.219 51 HG LEU 7 HG LEU 7 4.949 -8.889 3.484 52 HD11 LEU 7 HD11 LEU 7 4.042 -11.723 3.057 53 HD12 LEU 7 HD12 LEU 7 5.391 -10.960 2.190 54 HD13 LEU 7 HD13 LEU 7 5.447 -11.129 3.943 55 HD21 LEU 7 HD23 LEU 7 2.870 -9.780 1.487 56 HD22 LEU 7 HD21 LEU 7 3.084 -8.108 2.056 57 HD23 LEU 7 HD22 LEU 7 4.391 -8.939 1.213 58 H ASP 8 H ASP 8 -0.719 -9.761 4.062 59 HA ASP 8 HA ASP 8 -1.373 -6.906 3.618 60 HB2 ASP 8 HB2 ASP 8 -0.394 -7.720 1.459 61 HB3 ASP 8 HB3 ASP 8 -1.555 -9.031 1.424 62 H ILE 9 H ILE 9 -2.274 -10.336 3.453 63 HA ILE 9 HA ILE 9 -5.033 -9.850 4.437 64 HB ILE 9 HB ILE 9 -5.481 -12.124 4.046 65 HG12 ILE 9 HG12 ILE 9 -2.664 -12.539 2.978 66 HG13 ILE 9 HG13 ILE 9 -3.156 -13.022 4.615 67 HG21 ILE 9 HG21 ILE 9 -4.075 -11.027 1.583 68 HG22 ILE 9 HG22 ILE 9 -5.488 -12.105 1.633 69 HG23 ILE 9 HG23 ILE 9 -5.626 -10.438 2.194 70 HD11 ILE 9 HD13 ILE 9 -4.953 -14.418 3.645 71 HD12 ILE 9 HD11 ILE 9 -4.382 -14.010 2.009 72 HD13 ILE 9 HD12 ILE 9 -3.328 -14.918 3.099 73 H ARG 10 H ARG 10 -5.669 -11.620 6.181 74 HA ARG 10 HA ARG 10 -3.901 -11.366 8.461 75 HB2 ARG 10 HB2 ARG 10 -5.510 -12.657 9.668 76 HB3 ARG 10 HB3 ARG 10 -6.371 -11.528 8.637 77 HG2 ARG 10 HG2 ARG 10 -7.648 -13.394 8.352 78 HG3 ARG 10 HG3 ARG 10 -6.573 -13.589 6.976 79 HD2 ARG 10 HD2 ARG 10 -5.233 -15.264 8.224 80 HD3 ARG 10 HD3 ARG 10 -6.127 -14.911 9.692 81 HE ARG 10 HE ARG 10 -7.866 -16.267 8.991 82 HH11 ARG 10 HH11 ARG 10 -5.672 -15.848 6.290 83 HH12 ARG 10 HH12 ARG 10 -6.502 -17.052 5.326 84 HH21 ARG 10 HH21 ARG 10 -8.863 -17.812 7.667 85 HH22 ARG 10 HH22 ARG 10 -8.289 -18.067 6.049 86 H GLN 11 H GLN 11 -2.597 -12.756 9.387 87 HA GLN 11 HA GLN 11 -1.930 -15.372 8.210 88 HB2 GLN 11 HB2 GLN 11 -0.713 -13.619 10.371 89 HB3 GLN 11 HB3 GLN 11 -0.356 -15.350 10.324 90 HG2 GLN 11 HG2 GLN 11 0.557 -15.213 8.096 91 HG3 GLN 11 HG3 GLN 11 0.064 -13.535 7.929 92 HE21 GLN 11 HE22 GLN 11 2.845 -15.259 8.238 93 HE22 GLN 11 HE21 GLN 11 3.716 -14.093 9.228 94 H GLY 12 H GLY 12 -2.187 -17.203 9.453 95 HA2 GLY 12 HA2 GLY 12 -3.121 -17.751 11.939 96 HA3 GLY 12 HA3 GLY 12 -4.613 -17.187 11.196 97 HA PRO 13 HA PRO 13 -3.657 -21.494 9.174 98 HB2 PRO 13 HB2 PRO 13 -1.646 -22.987 10.221 99 HB3 PRO 13 HB3 PRO 13 -1.346 -21.762 8.958 100 HG2 PRO 13 HG2 PRO 13 -1.007 -21.435 11.954 101 HG3 PRO 13 HG3 PRO 13 0.164 -21.019 10.660 102 HD2 PRO 13 HD2 PRO 13 -1.488 -19.183 11.783 103 HD3 PRO 13 HD3 PRO 13 -1.073 -19.110 10.047 104 H LYS 14 H LYS 14 -3.687 -20.647 12.479 105 HA LYS 14 HA LYS 14 -3.805 -22.915 13.965 106 HB2 LYS 14 HB2 LYS 14 -3.685 -20.672 14.825 107 HB3 LYS 14 HB3 LYS 14 -5.339 -20.316 14.343 108 HG2 LYS 14 HG2 LYS 14 -4.918 -22.625 16.240 109 HG3 LYS 14 HG3 LYS 14 -4.590 -21.010 16.853 110 HD2 LYS 14 HD2 LYS 14 -6.802 -20.227 16.421 111 HD3 LYS 14 HD3 LYS 14 -7.225 -21.668 15.488 112 HE2 LYS 14 HE2 LYS 14 -7.044 -23.082 17.459 113 HE3 LYS 14 HE3 LYS 14 -6.462 -21.723 18.438 114 HZ1 LYS 14 HZ3 LYS 14 -8.654 -20.655 18.076 115 HZ2 LYS 14 HZ1 LYS 14 -9.149 -21.906 17.169 116 HZ3 LYS 14 HZ2 LYS 14 -8.870 -22.153 18.743 117 H GLU 15 H GLU 15 -6.406 -22.086 11.848 118 HA GLU 15 HA GLU 15 -7.648 -24.664 12.451 119 HB2 GLU 15 HB2 GLU 15 -9.076 -22.063 13.028 120 HB3 GLU 15 HB3 GLU 15 -9.992 -23.435 12.408 121 HG2 GLU 15 HG2 GLU 15 -9.278 -24.839 14.279 122 HG3 GLU 15 HG3 GLU 15 -8.315 -23.523 14.939 123 HA PRO 16 HA PRO 16 -9.804 -23.108 8.534 124 HB2 PRO 16 HB2 PRO 16 -9.385 -20.707 7.343 125 HB3 PRO 16 HB3 PRO 16 -10.246 -20.844 8.901 126 HG2 PRO 16 HG2 PRO 16 -7.292 -20.253 8.476 127 HG3 PRO 16 HG3 PRO 16 -8.478 -19.295 9.427 128 HD2 PRO 16 HD2 PRO 16 -6.862 -21.154 10.558 129 HD3 PRO 16 HD3 PRO 16 -8.531 -20.884 11.149 130 H PHE 17 H PHE 17 -7.441 -24.588 8.552 131 HA PHE 17 HA PHE 17 -5.333 -24.006 7.011 132 HB2 PHE 17 HB2 PHE 17 -6.326 -26.322 8.180 133 HB3 PHE 17 HB3 PHE 17 -6.198 -26.791 6.500 134 HD1 PHE 17 HD2 PHE 17 -4.271 -24.985 9.160 135 HD2 PHE 17 HD1 PHE 17 -4.068 -27.737 5.856 136 HE1 PHE 17 HE2 PHE 17 -1.845 -25.324 9.576 137 HE2 PHE 17 HE1 PHE 17 -1.643 -28.028 6.238 138 HZ PHE 17 HZ PHE 17 -0.554 -26.892 8.203 139 H ARG 18 H ARG 18 -8.018 -25.775 5.335 140 HA ARG 18 HA ARG 18 -6.840 -25.528 2.757 141 HB2 ARG 18 HB2 ARG 18 -9.289 -25.929 1.958 142 HB3 ARG 18 HB3 ARG 18 -8.255 -27.121 2.668 143 HG2 ARG 18 HG2 ARG 18 -10.462 -27.465 3.479 144 HG3 ARG 18 HG3 ARG 18 -9.453 -26.968 4.844 145 HD2 ARG 18 HD2 ARG 18 -10.347 -24.716 4.752 146 HD3 ARG 18 HD3 ARG 18 -11.100 -25.059 3.188 147 HE ARG 18 HE ARG 18 -11.972 -26.228 5.804 148 HH11 ARG 18 HH11 ARG 18 -12.885 -24.372 3.033 149 HH12 ARG 18 HH12 ARG 18 -14.540 -24.707 3.201 150 HH21 ARG 18 HH21 ARG 18 -14.125 -26.322 6.170 151 HH22 ARG 18 HH22 ARG 18 -15.218 -25.638 5.006 152 H ASP 19 H ASP 19 -9.286 -23.590 4.188 153 HA ASP 19 HA ASP 19 -9.641 -21.665 2.056 154 HB2 ASP 19 HB2 ASP 19 -10.368 -21.341 4.983 155 HB3 ASP 19 HB3 ASP 19 -11.027 -20.427 3.619 156 H TYR 20 H TYR 20 -6.947 -22.066 3.803 157 HA TYR 20 HA TYR 20 -6.163 -19.232 3.321 158 HB2 TYR 20 HB2 TYR 20 -6.430 -19.653 5.732 159 HB3 TYR 20 HB3 TYR 20 -5.299 -20.993 5.623 160 HD1 TYR 20 HD1 TYR 20 -4.400 -17.944 3.675 161 HD2 TYR 20 HD2 TYR 20 -4.156 -19.921 7.508 162 HE1 TYR 20 HE1 TYR 20 -2.433 -16.575 4.253 163 HE2 TYR 20 HE2 TYR 20 -2.119 -18.579 8.036 164 HH TYR 20 HH TYR 20 -0.786 -16.194 5.757 165 H VAL 21 H VAL 21 -4.969 -22.671 3.420 166 HA VAL 21 HA VAL 21 -2.466 -22.206 2.208 167 HB VAL 21 HB VAL 21 -2.633 -24.450 1.310 168 HG11 VAL 21 HG11 VAL 21 -3.491 -24.199 4.149 169 HG12 VAL 21 HG12 VAL 21 -2.694 -25.602 3.455 170 HG13 VAL 21 HG13 VAL 21 -1.870 -24.019 3.459 171 HG21 VAL 21 HG23 VAL 21 -5.386 -24.387 2.236 172 HG22 VAL 21 HG21 VAL 21 -4.832 -24.834 0.626 173 HG23 VAL 21 HG22 VAL 21 -4.530 -25.934 1.985 174 H ASP 22 H ASP 22 -5.587 -22.609 0.520 175 HA ASP 22 HA ASP 22 -4.459 -22.529 -2.093 176 HB2 ASP 22 HB2 ASP 22 -6.841 -23.065 -1.342 177 HB3 ASP 22 HB3 ASP 22 -7.076 -21.426 -1.013 178 H ARG 23 H ARG 23 -6.006 -20.128 -0.314 179 HA ARG 23 HA ARG 23 -5.490 -17.844 -1.895 180 HB2 ARG 23 HB2 ARG 23 -5.833 -17.319 1.030 181 HB3 ARG 23 HB3 ARG 23 -6.637 -16.611 -0.360 182 HG2 ARG 23 HG2 ARG 23 -7.171 -19.287 0.972 183 HG3 ARG 23 HG3 ARG 23 -8.203 -17.868 1.045 184 HD2 ARG 23 HD2 ARG 23 -7.537 -18.951 -1.686 185 HD3 ARG 23 HD3 ARG 23 -8.582 -19.921 -0.649 186 HE ARG 23 HE ARG 23 -9.614 -17.357 -0.561 187 HH11 ARG 23 HH11 ARG 23 -8.849 -19.630 -3.134 188 HH12 ARG 23 HH12 ARG 23 -10.293 -19.308 -4.031 189 HH21 ARG 23 HH21 ARG 23 -11.475 -16.887 -1.856 190 HH22 ARG 23 HH22 ARG 23 -11.668 -17.684 -3.394 191 H PHE 24 H PHE 24 -3.452 -19.267 0.496 192 HA PHE 24 HA PHE 24 -1.441 -17.143 0.344 193 HB2 PHE 24 HB2 PHE 24 -1.796 -18.400 2.429 194 HB3 PHE 24 HB3 PHE 24 -1.441 -19.924 1.638 195 HD1 PHE 24 HD1 PHE 24 0.305 -16.574 1.480 196 HD2 PHE 24 HD2 PHE 24 0.590 -20.741 2.468 197 HE1 PHE 24 HE1 PHE 24 2.745 -16.311 1.913 198 HE2 PHE 24 HE2 PHE 24 2.962 -20.454 2.969 199 HZ PHE 24 HZ PHE 24 4.109 -18.181 2.688 200 H TYR 25 H TYR 25 -1.402 -20.655 -0.678 201 HA TYR 25 HA TYR 25 1.182 -20.414 -1.882 202 HB2 TYR 25 HB2 TYR 25 -0.822 -22.533 -1.630 203 HB3 TYR 25 HB3 TYR 25 0.089 -22.583 -3.118 204 HD1 TYR 25 HD1 TYR 25 1.325 -21.598 0.351 205 HD2 TYR 25 HD2 TYR 25 1.406 -24.447 -2.871 206 HE1 TYR 25 HE1 TYR 25 3.250 -22.714 1.407 207 HE2 TYR 25 HE2 TYR 25 3.356 -25.594 -1.768 208 HH TYR 25 HH TYR 25 4.734 -24.567 1.363 209 H LYS 26 H LYS 26 -2.014 -19.824 -3.223 210 HA LYS 26 HA LYS 26 -1.608 -19.468 -5.921 211 HB2 LYS 26 HB2 LYS 26 -3.710 -19.076 -4.988 212 HB3 LYS 26 HB3 LYS 26 -3.111 -17.957 -3.785 213 HG2 LYS 26 HG2 LYS 26 -3.041 -17.157 -6.697 214 HG3 LYS 26 HG3 LYS 26 -4.569 -17.134 -5.822 215 HD2 LYS 26 HD2 LYS 26 -2.105 -15.675 -4.851 216 HD3 LYS 26 HD3 LYS 26 -3.325 -14.917 -5.865 217 HE2 LYS 26 HE2 LYS 26 -4.966 -15.003 -4.152 218 HE3 LYS 26 HE3 LYS 26 -4.096 -16.261 -3.269 219 HZ1 LYS 26 HZ3 LYS 26 -3.690 -14.310 -2.073 220 HZ2 LYS 26 HZ1 LYS 26 -2.317 -14.576 -2.870 221 HZ3 LYS 26 HZ2 LYS 26 -3.327 -13.389 -3.372 222 H THR 27 H THR 27 -0.238 -17.374 -3.393 223 HA THR 27 HA THR 27 1.200 -15.792 -5.478 224 HB THR 27 HB THR 27 1.310 -14.208 -3.215 225 HG1 THR 27 HG1 THR 27 -0.203 -14.830 -1.943 226 HG21 THR 27 HG23 THR 27 0.824 -13.296 -5.339 227 HG22 THR 27 HG21 THR 27 -0.564 -14.356 -5.607 228 HG23 THR 27 HG22 THR 27 -0.676 -13.020 -4.443 229 H LEU 28 H LEU 28 1.681 -17.208 -2.159 230 HA LEU 28 HA LEU 28 4.366 -16.710 -1.740 231 HB2 LEU 28 HB2 LEU 28 3.039 -17.807 -0.253 232 HB3 LEU 28 HB3 LEU 28 2.690 -19.145 -1.326 233 HG LEU 28 HG LEU 28 4.235 -19.590 0.499 234 HD11 LEU 28 HD11 LEU 28 5.714 -20.191 -2.056 235 HD12 LEU 28 HD12 LEU 28 5.521 -21.172 -0.602 236 HD13 LEU 28 HD13 LEU 28 4.143 -20.928 -1.690 237 HD21 LEU 28 HD23 LEU 28 6.272 -17.922 -0.977 238 HD22 LEU 28 HD21 LEU 28 5.564 -17.581 0.609 239 HD23 LEU 28 HD22 LEU 28 6.606 -18.993 0.381 240 H ARG 29 H ARG 29 3.127 -19.164 -4.011 241 HA ARG 29 HA ARG 29 5.544 -20.203 -5.040 242 HB2 ARG 29 HB2 ARG 29 4.280 -21.011 -6.885 243 HB3 ARG 29 HB3 ARG 29 3.308 -21.114 -5.424 244 HG2 ARG 29 HG2 ARG 29 2.163 -18.956 -6.131 245 HG3 ARG 29 HG3 ARG 29 3.066 -19.030 -7.650 246 HD2 ARG 29 HD2 ARG 29 2.095 -21.267 -8.121 247 HD3 ARG 29 HD3 ARG 29 1.130 -21.165 -6.648 248 HE ARG 29 HE ARG 29 0.213 -18.969 -7.812 249 HH11 ARG 29 HH11 ARG 29 0.789 -22.065 -9.374 250 HH12 ARG 29 HH12 ARG 29 -0.461 -21.800 -10.566 251 HH21 ARG 29 HH21 ARG 29 -1.420 -18.764 -9.402 252 HH22 ARG 29 HH22 ARG 29 -1.690 -20.058 -10.542 253 H ALA 30 H ALA 30 4.360 -17.041 -5.564 254 HA ALA 30 HA ALA 30 6.403 -16.480 -7.650 255 HB1 ALA 30 HB3 ALA 30 4.122 -16.601 -8.623 256 HB2 ALA 30 HB1 ALA 30 3.574 -15.365 -7.458 257 HB3 ALA 30 HB2 ALA 30 4.789 -14.958 -8.692 258 H GLU 31 H GLU 31 5.410 -15.762 -4.478 259 HA GLU 31 HA GLU 31 6.742 -13.101 -4.425 260 HB2 GLU 31 HB2 GLU 31 5.785 -14.824 -2.101 261 HB3 GLU 31 HB3 GLU 31 6.333 -13.157 -2.038 262 HG2 GLU 31 HG2 GLU 31 3.679 -14.272 -2.778 263 HG3 GLU 31 HG3 GLU 31 4.094 -12.901 -1.801 264 H GLN 32 H GLN 32 7.262 -16.397 -3.148 265 HA GLN 32 HA GLN 32 10.164 -15.797 -2.671 266 HB2 GLN 32 HB2 GLN 32 8.517 -17.725 -1.039 267 HB3 GLN 32 HB3 GLN 32 10.053 -17.002 -0.639 268 HG2 GLN 32 HG2 GLN 32 7.435 -15.422 -0.698 269 HG3 GLN 32 HG3 GLN 32 8.039 -16.279 0.689 270 HE21 GLN 32 HE22 GLN 32 8.018 -14.233 1.808 271 HE22 GLN 32 HE21 GLN 32 9.402 -13.159 1.574 272 H ALA 33 H ALA 33 8.145 -17.645 -4.532 273 HA ALA 33 HA ALA 33 8.080 -19.618 -5.577 274 HB1 ALA 33 HB3 ALA 33 10.117 -18.679 -6.555 275 HB2 ALA 33 HB1 ALA 33 11.095 -19.521 -5.329 276 HB3 ALA 33 HB2 ALA 33 10.157 -20.453 -6.513 277 H SER 34 H SER 34 8.825 -19.742 -2.413 278 HA SER 34 HA SER 34 9.765 -22.317 -1.904 279 HB2 SER 34 HB2 SER 34 9.655 -20.151 -0.457 280 HB3 SER 34 HB3 SER 34 8.121 -20.813 0.136 281 HG SER 34 HG SER 34 10.092 -21.409 1.297 282 H GLN 35 H GLN 35 7.682 -22.901 -3.634 283 HA GLN 35 HA GLN 35 5.491 -24.208 -2.200 284 HB2 GLN 35 HB2 GLN 35 5.104 -23.279 -4.363 285 HB3 GLN 35 HB3 GLN 35 6.402 -24.204 -5.103 286 HG2 GLN 35 HG2 GLN 35 5.186 -26.142 -5.230 287 HG3 GLN 35 HG3 GLN 35 4.294 -25.826 -3.749 288 HE21 GLN 35 HE22 GLN 35 2.736 -26.889 -5.446 289 HE22 GLN 35 HE21 GLN 35 1.709 -25.660 -6.202 290 H GLU 36 H GLU 36 7.638 -25.035 -0.866 291 HA GLU 36 HA GLU 36 7.864 -27.913 -1.507 292 HB2 GLU 36 HB2 GLU 36 9.855 -26.650 -2.540 293 HB3 GLU 36 HB3 GLU 36 10.341 -26.259 -0.899 294 HG2 GLU 36 HG2 GLU 36 10.024 -28.976 -0.721 295 HG3 GLU 36 HG3 GLU 36 10.536 -28.839 -2.405 296 H VAL 37 H VAL 37 8.695 -29.153 0.327 297 HA VAL 37 HA VAL 37 7.867 -28.753 2.965 298 HB VAL 37 HB VAL 37 10.256 -30.220 1.782 299 HG11 VAL 37 HG11 VAL 37 9.086 -30.426 4.577 300 HG12 VAL 37 HG12 VAL 37 10.223 -31.599 3.862 301 HG13 VAL 37 HG13 VAL 37 10.733 -29.925 4.128 302 HG21 VAL 37 HG23 VAL 37 7.506 -31.192 2.645 303 HG22 VAL 37 HG21 VAL 37 8.071 -31.016 0.965 304 HG23 VAL 37 HG22 VAL 37 8.824 -32.213 2.025 305 H LYS 38 H LYS 38 10.724 -27.470 1.364 306 HA LYS 38 HA LYS 38 12.231 -26.273 3.416 307 HB2 LYS 38 HB2 LYS 38 11.142 -25.160 0.827 308 HB3 LYS 38 HB3 LYS 38 12.012 -24.092 1.894 309 HG2 LYS 38 HG2 LYS 38 13.103 -26.131 0.077 310 HG3 LYS 38 HG3 LYS 38 13.613 -24.524 0.441 311 HD2 LYS 38 HD2 LYS 38 15.360 -25.667 1.348 312 HD3 LYS 38 HD3 LYS 38 14.346 -25.491 2.774 313 HE2 LYS 38 HE2 LYS 38 15.184 -27.771 2.693 314 HE3 LYS 38 HE3 LYS 38 13.442 -27.807 2.349 315 HZ1 LYS 38 HZ3 LYS 38 13.841 -28.066 0.074 316 HZ2 LYS 38 HZ1 LYS 38 15.463 -27.853 0.167 317 HZ3 LYS 38 HZ2 LYS 38 14.697 -29.196 0.797 318 H ASN 39 H ASN 39 8.990 -25.333 2.587 319 HA ASN 39 HA ASN 39 7.995 -23.204 3.135 320 HB2 ASN 39 HB2 ASN 39 6.540 -24.986 3.307 321 HB3 ASN 39 HB3 ASN 39 7.428 -25.731 4.644 322 HD21 ASN 39 HD22 ASN 39 4.703 -23.665 3.874 323 HD22 ASN 39 HD21 ASN 39 4.427 -23.301 5.596 324 H ALA 40 H ALA 40 8.951 -24.370 6.435 325 HA ALA 40 HA ALA 40 8.519 -22.012 7.712 326 HB1 ALA 40 HB3 ALA 40 8.873 -24.202 8.759 327 HB2 ALA 40 HB1 ALA 40 10.611 -24.120 8.387 328 HB3 ALA 40 HB2 ALA 40 9.880 -22.970 9.527 329 H MET 41 H MET 41 11.198 -22.241 5.546 330 HA MET 41 HA MET 41 12.812 -20.168 6.821 331 HB2 MET 41 HB2 MET 41 14.049 -20.072 4.694 332 HB3 MET 41 HB3 MET 41 13.927 -21.676 5.383 333 HG2 MET 41 HG2 MET 41 13.717 -21.808 2.997 334 HG3 MET 41 HG3 MET 41 12.235 -22.316 3.770 335 HE1 MET 41 HE3 MET 41 13.477 -18.604 2.871 336 HE2 MET 41 HE1 MET 41 13.975 -19.633 1.505 337 HE3 MET 41 HE2 MET 41 12.688 -18.427 1.293 338 H THR 42 H THR 42 9.780 -19.803 5.688 339 HA THR 42 HA THR 42 10.106 -16.902 5.135 340 HB THR 42 HB THR 42 7.953 -17.492 3.464 341 HG1 THR 42 HG1 THR 42 9.621 -19.723 3.628 342 HG21 THR 42 HG23 THR 42 9.862 -16.115 2.836 343 HG22 THR 42 HG21 THR 42 10.972 -17.498 2.966 344 HG23 THR 42 HG22 THR 42 9.781 -17.450 1.656 345 H GLU 43 H GLU 43 7.885 -15.800 5.206 346 HA GLU 43 HA GLU 43 6.458 -16.230 7.588 347 HB2 GLU 43 HB2 GLU 43 4.698 -14.836 6.543 348 HB3 GLU 43 HB3 GLU 43 6.307 -14.147 6.352 349 HG2 GLU 43 HG2 GLU 43 4.818 -15.721 4.209 350 HG3 GLU 43 HG3 GLU 43 4.778 -13.960 4.366 351 H THR 44 H THR 44 6.284 -18.013 4.755 352 HA THR 44 HA THR 44 4.014 -19.397 4.492 353 HB THR 44 HB THR 44 6.835 -20.513 4.384 354 HG1 THR 44 HG1 THR 44 7.266 -19.246 2.858 355 HG21 THR 44 HG23 THR 44 4.559 -21.768 3.465 356 HG22 THR 44 HG21 THR 44 5.082 -20.914 2.026 357 HG23 THR 44 HG22 THR 44 6.200 -22.021 2.818 358 H LEU 45 H LEU 45 2.838 -20.699 5.572 359 HA LEU 45 HA LEU 45 3.934 -22.435 7.702 360 HB2 LEU 45 HB2 LEU 45 2.055 -21.267 9.097 361 HB3 LEU 45 HB3 LEU 45 3.564 -20.446 8.767 362 HG LEU 45 HG LEU 45 2.520 -19.097 6.986 363 HD11 LEU 45 HD11 LEU 45 -0.098 -20.325 7.742 364 HD12 LEU 45 HD12 LEU 45 0.200 -18.969 6.619 365 HD13 LEU 45 HD13 LEU 45 0.819 -20.535 6.207 366 HD21 LEU 45 HD23 LEU 45 1.152 -18.963 9.664 367 HD22 LEU 45 HD21 LEU 45 2.662 -18.167 9.137 368 HD23 LEU 45 HD22 LEU 45 1.135 -17.691 8.391 369 H LEU 46 H LEU 46 2.448 -23.035 5.049 370 HA LEU 46 HA LEU 46 1.167 -25.375 5.661 371 HB2 LEU 46 HB2 LEU 46 -1.290 -24.810 5.341 372 HB3 LEU 46 HB3 LEU 46 -0.547 -24.547 6.838 373 HG LEU 46 HG LEU 46 -0.481 -22.235 6.698 374 HD11 LEU 46 HD11 LEU 46 -1.929 -21.956 4.116 375 HD12 LEU 46 HD12 LEU 46 -1.057 -20.765 5.007 376 HD13 LEU 46 HD13 LEU 46 -0.144 -21.994 4.125 377 HD21 LEU 46 HD23 LEU 46 -3.248 -23.022 5.860 378 HD22 LEU 46 HD21 LEU 46 -2.530 -23.281 7.457 379 HD23 LEU 46 HD22 LEU 46 -2.733 -21.640 6.821 380 H VAL 47 H VAL 47 -0.533 -25.957 3.530 381 HA VAL 47 HA VAL 47 0.825 -25.173 1.024 382 HB VAL 47 HB VAL 47 0.483 -28.090 1.824 383 HG11 VAL 47 HG11 VAL 47 2.597 -26.915 0.049 384 HG12 VAL 47 HG12 VAL 47 2.029 -28.582 0.145 385 HG13 VAL 47 HG13 VAL 47 0.990 -27.335 -0.579 386 HG21 VAL 47 HG23 VAL 47 2.953 -26.487 2.485 387 HG22 VAL 47 HG21 VAL 47 1.852 -27.381 3.585 388 HG23 VAL 47 HG22 VAL 47 2.829 -28.265 2.419 389 H GLN 48 H GLN 48 -0.750 -25.297 -0.702 390 HA GLN 48 HA GLN 48 -3.383 -26.079 -0.543 391 HB2 GLN 48 HB2 GLN 48 -1.397 -26.131 -2.823 392 HB3 GLN 48 HB3 GLN 48 -3.049 -26.720 -3.056 393 HG2 GLN 48 HG2 GLN 48 -3.970 -24.630 -2.222 394 HG3 GLN 48 HG3 GLN 48 -2.374 -23.965 -1.981 395 HE21 GLN 48 HE22 GLN 48 -4.909 -23.561 -4.205 396 HE22 GLN 48 HE21 GLN 48 -3.878 -23.373 -5.598 397 H ASN 49 H ASN 49 -0.688 -28.368 -0.793 398 HA ASN 49 HA ASN 49 -2.282 -30.666 -1.331 399 HB2 ASN 49 HB2 ASN 49 0.285 -30.255 -1.532 400 HB3 ASN 49 HB3 ASN 49 0.345 -30.662 0.189 401 HD21 ASN 49 HD22 ASN 49 1.666 -32.512 -0.360 402 HD22 ASN 49 HD21 ASN 49 0.974 -33.838 -1.296 403 H ALA 50 H ALA 50 -2.712 -28.818 1.328 404 HA ALA 50 HA ALA 50 -2.938 -30.464 3.564 405 HB1 ALA 50 HB3 ALA 50 -3.351 -28.053 3.512 406 HB2 ALA 50 HB1 ALA 50 -4.794 -28.297 2.497 407 HB3 ALA 50 HB2 ALA 50 -4.751 -28.913 4.169 408 H ASN 51 H ASN 51 -3.933 -32.358 3.865 409 HA ASN 51 HA ASN 51 -5.746 -33.384 1.757 410 HB2 ASN 51 HB2 ASN 51 -3.331 -34.233 2.545 411 HB3 ASN 51 HB3 ASN 51 -4.284 -35.166 3.704 412 HD21 ASN 51 HD22 ASN 51 -3.259 -36.952 2.489 413 HD22 ASN 51 HD21 ASN 51 -4.080 -37.478 0.997 414 HA PRO 52 HA PRO 52 -9.217 -33.587 4.325 415 HB2 PRO 52 HB2 PRO 52 -10.375 -36.079 4.372 416 HB3 PRO 52 HB3 PRO 52 -10.356 -35.005 2.941 417 HG2 PRO 52 HG2 PRO 52 -8.538 -37.338 3.547 418 HG3 PRO 52 HG3 PRO 52 -9.315 -36.905 1.995 419 HD2 PRO 52 HD2 PRO 52 -6.726 -36.316 2.614 420 HD3 PRO 52 HD3 PRO 52 -7.707 -35.258 1.547 421 H ASP 53 H ASP 53 -7.462 -36.560 5.204 422 HA ASP 53 HA ASP 53 -7.905 -36.782 7.951 423 HB2 ASP 53 HB2 ASP 53 -6.806 -38.514 6.810 424 HB3 ASP 53 HB3 ASP 53 -5.694 -37.419 5.988 425 H CYS 54 H CYS 54 -4.826 -35.349 6.749 426 HA CYS 54 HA CYS 54 -4.159 -34.132 9.012 427 HB2 CYS 54 HB2 CYS 54 -3.025 -34.180 6.570 428 HB3 CYS 54 HB3 CYS 54 -3.457 -32.440 6.675 429 HG CYS 54 HG CYS 54 -0.974 -32.551 7.568 430 H LYS 55 H LYS 55 -6.417 -32.668 6.766 431 HA LYS 55 HA LYS 55 -6.748 -30.050 7.924 432 HB2 LYS 55 HB2 LYS 55 -8.297 -31.831 6.154 433 HB3 LYS 55 HB3 LYS 55 -9.336 -31.056 7.310 434 HG2 LYS 55 HG2 LYS 55 -9.340 -29.608 5.458 435 HG3 LYS 55 HG3 LYS 55 -8.337 -28.828 6.669 436 HD2 LYS 55 HD2 LYS 55 -6.766 -28.594 5.110 437 HD3 LYS 55 HD3 LYS 55 -6.459 -30.333 5.134 438 HE2 LYS 55 HE2 LYS 55 -8.579 -28.957 3.394 439 HE3 LYS 55 HE3 LYS 55 -6.921 -29.295 2.878 440 HZ1 LYS 55 HZ3 LYS 55 -7.396 -31.633 3.474 441 HZ2 LYS 55 HZ1 LYS 55 -8.997 -31.300 3.525 442 HZ3 LYS 55 HZ2 LYS 55 -8.092 -31.085 2.117 443 H THR 56 H THR 56 -8.380 -33.109 8.778 444 HA THR 56 HA THR 56 -9.882 -31.959 10.944 445 HB THR 56 HB THR 56 -9.924 -34.342 9.499 446 HG1 THR 56 HG1 THR 56 -11.693 -34.691 11.026 447 HG21 THR 56 HG23 THR 56 -8.419 -35.489 11.105 448 HG22 THR 56 HG21 THR 56 -9.549 -35.091 12.424 449 HG23 THR 56 HG22 THR 56 -10.054 -36.149 11.087 450 H ILE 57 H ILE 57 -6.660 -33.017 10.628 451 HA ILE 57 HA ILE 57 -6.205 -33.503 13.514 452 HB ILE 57 HB ILE 57 -4.527 -33.612 11.031 453 HG12 ILE 57 HG12 ILE 57 -4.761 -35.703 13.206 454 HG13 ILE 57 HG13 ILE 57 -6.105 -35.465 12.090 455 HG21 ILE 57 HG21 ILE 57 -3.341 -33.749 13.817 456 HG22 ILE 57 HG22 ILE 57 -2.538 -34.260 12.317 457 HG23 ILE 57 HG23 ILE 57 -2.937 -32.571 12.543 458 HD11 ILE 57 HD13 ILE 57 -4.723 -35.882 10.172 459 HD12 ILE 57 HD11 ILE 57 -3.271 -36.063 11.180 460 HD13 ILE 57 HD12 ILE 57 -4.604 -37.235 11.308 461 H LEU 58 H LEU 58 -4.645 -31.053 11.259 462 HA LEU 58 HA LEU 58 -3.784 -29.574 13.544 463 HB2 LEU 58 HB2 LEU 58 -4.236 -28.427 10.749 464 HB3 LEU 58 HB3 LEU 58 -3.329 -27.709 12.074 465 HG LEU 58 HG LEU 58 -2.033 -30.063 11.995 466 HD11 LEU 58 HD11 LEU 58 -3.269 -29.781 9.277 467 HD12 LEU 58 HD12 LEU 58 -1.637 -30.535 9.469 468 HD13 LEU 58 HD13 LEU 58 -3.023 -31.190 10.322 469 HD21 LEU 58 HD23 LEU 58 -1.628 -27.436 10.660 470 HD22 LEU 58 HD21 LEU 58 -0.603 -28.328 11.806 471 HD23 LEU 58 HD22 LEU 58 -0.599 -28.753 10.078 472 H LYS 59 H LYS 59 -6.828 -29.591 11.930 473 HA LYS 59 HA LYS 59 -8.138 -27.335 12.911 474 HB2 LYS 59 HB2 LYS 59 -8.895 -30.129 12.402 475 HB3 LYS 59 HB3 LYS 59 -9.968 -29.315 13.502 476 HG2 LYS 59 HG2 LYS 59 -9.261 -27.796 10.999 477 HG3 LYS 59 HG3 LYS 59 -10.230 -29.249 10.823 478 HD2 LYS 59 HD2 LYS 59 -11.735 -27.346 11.067 479 HD3 LYS 59 HD3 LYS 59 -11.864 -28.378 12.499 480 HE2 LYS 59 HE2 LYS 59 -10.092 -26.779 13.556 481 HE3 LYS 59 HE3 LYS 59 -10.440 -25.701 12.208 482 HZ1 LYS 59 HZ3 LYS 59 -12.820 -25.772 12.999 483 HZ2 LYS 59 HZ1 LYS 59 -12.292 -26.603 14.340 484 HZ3 LYS 59 HZ2 LYS 59 -11.791 -25.090 14.048 485 H ALA 60 H ALA 60 -6.957 -29.940 14.871 486 HA ALA 60 HA ALA 60 -7.647 -28.404 17.346 487 HB1 ALA 60 HB3 ALA 60 -9.031 -30.439 17.138 488 HB2 ALA 60 HB1 ALA 60 -7.559 -31.427 16.984 489 HB3 ALA 60 HB2 ALA 60 -7.899 -30.565 18.500 490 H LEU 61 H LEU 61 -5.068 -29.214 15.419 491 HA LEU 61 HA LEU 61 -3.158 -29.408 17.687 492 HB2 LEU 61 HB2 LEU 61 -3.778 -31.371 15.806 493 HB3 LEU 61 HB3 LEU 61 -2.318 -30.710 15.167 494 HG LEU 61 HG LEU 61 -2.702 -31.701 18.037 495 HD11 LEU 61 HD11 LEU 61 -1.176 -33.001 15.754 496 HD12 LEU 61 HD12 LEU 61 -1.366 -33.629 17.406 497 HD13 LEU 61 HD13 LEU 61 -2.773 -33.506 16.340 498 HD21 LEU 61 HD23 LEU 61 -0.170 -30.817 16.593 499 HD22 LEU 61 HD21 LEU 61 -0.915 -30.046 18.012 500 HD23 LEU 61 HD22 LEU 61 -0.205 -31.657 18.162 501 H GLY 62 H GLY 62 -3.745 -26.926 16.867 502 HA2 GLY 62 HA2 GLY 62 -1.325 -26.005 15.344 503 HA3 GLY 62 HA3 GLY 62 -2.794 -25.076 15.603 504 HA PRO 63 HA PRO 63 -0.550 -24.550 19.800 505 HB2 PRO 63 HB2 PRO 63 1.377 -26.183 20.740 506 HB3 PRO 63 HB3 PRO 63 -0.310 -26.755 20.635 507 HG2 PRO 63 HG2 PRO 63 1.897 -27.177 18.580 508 HG3 PRO 63 HG3 PRO 63 0.882 -28.429 19.369 509 HD2 PRO 63 HD2 PRO 63 0.235 -27.353 16.944 510 HD3 PRO 63 HD3 PRO 63 -1.010 -27.807 18.158 511 H ALA 64 H ALA 64 0.220 -23.521 17.309 512 HA ALA 64 HA ALA 64 1.656 -22.198 16.220 513 HB1 ALA 64 HB3 ALA 64 1.283 -20.974 18.316 514 HB2 ALA 64 HB1 ALA 64 2.755 -21.704 19.002 515 HB3 ALA 64 HB2 ALA 64 2.872 -20.616 17.610 516 H ALA 65 H ALA 65 3.206 -24.955 17.442 517 HA ALA 65 HA ALA 65 5.633 -24.340 15.760 518 HB1 ALA 65 HB3 ALA 65 6.113 -24.169 18.173 519 HB2 ALA 65 HB1 ALA 65 5.500 -25.820 18.427 520 HB3 ALA 65 HB2 ALA 65 6.949 -25.543 17.430 521 H THR 66 H THR 66 4.099 -27.320 17.247 522 HA THR 66 HA THR 66 5.149 -29.161 15.582 523 HB THR 66 HB THR 66 2.191 -29.321 16.198 524 HG1 THR 66 HG1 THR 66 3.051 -30.220 18.222 525 HG21 THR 66 HG23 THR 66 3.194 -31.274 15.060 526 HG22 THR 66 HG21 THR 66 4.448 -31.374 16.303 527 HG23 THR 66 HG22 THR 66 2.740 -31.683 16.716 528 H LEU 67 H LEU 67 2.667 -26.938 14.519 529 HA LEU 67 HA LEU 67 1.599 -28.011 12.204 530 HB2 LEU 67 HB2 LEU 67 1.283 -25.818 13.334 531 HB3 LEU 67 HB3 LEU 67 2.730 -25.241 12.549 532 HG LEU 67 HG LEU 67 -0.033 -25.754 11.351 533 HD11 LEU 67 HD11 LEU 67 2.144 -23.635 11.075 534 HD12 LEU 67 HD12 LEU 67 0.522 -23.538 10.379 535 HD13 LEU 67 HD13 LEU 67 0.729 -23.511 12.149 536 HD21 LEU 67 HD23 LEU 67 2.469 -25.769 9.704 537 HD22 LEU 67 HD21 LEU 67 1.206 -27.039 9.855 538 HD23 LEU 67 HD22 LEU 67 0.825 -25.478 9.104 539 H GLU 68 H GLU 68 4.822 -26.412 12.447 540 HA GLU 68 HA GLU 68 5.809 -26.485 9.908 541 HB2 GLU 68 HB2 GLU 68 7.194 -27.517 12.437 542 HB3 GLU 68 HB3 GLU 68 8.035 -27.084 10.926 543 HG2 GLU 68 HG2 GLU 68 7.085 -24.792 11.141 544 HG3 GLU 68 HG3 GLU 68 6.351 -25.276 12.654 545 H GLU 69 H GLU 69 5.554 -29.378 11.932 546 HA GLU 69 HA GLU 69 6.471 -31.132 9.716 547 HB2 GLU 69 HB2 GLU 69 6.425 -32.910 11.168 548 HB3 GLU 69 HB3 GLU 69 6.863 -31.571 12.183 549 HG2 GLU 69 HG2 GLU 69 5.275 -32.175 13.612 550 HG3 GLU 69 HG3 GLU 69 4.079 -31.618 12.472 551 H MET 70 H MET 70 3.349 -30.224 11.154 552 HA MET 70 HA MET 70 1.695 -32.176 9.786 553 HB2 MET 70 HB2 MET 70 0.967 -29.636 11.044 554 HB3 MET 70 HB3 MET 70 -0.070 -31.086 10.811 555 HG2 MET 70 HG2 MET 70 2.058 -31.950 12.358 556 HG3 MET 70 HG3 MET 70 1.770 -30.280 12.897 557 HE1 MET 70 HE3 MET 70 -0.022 -33.690 12.037 558 HE2 MET 70 HE1 MET 70 1.166 -33.862 13.348 559 HE3 MET 70 HE2 MET 70 -0.557 -34.104 13.683 560 H MET 71 H MET 71 2.849 -29.119 8.922 561 HA MET 71 HA MET 71 1.311 -28.367 6.627 562 HB2 MET 71 HB2 MET 71 2.744 -26.739 7.415 563 HB3 MET 71 HB3 MET 71 4.049 -27.849 7.782 564 HG2 MET 71 HG2 MET 71 3.395 -27.220 4.914 565 HG3 MET 71 HG3 MET 71 4.306 -26.118 5.903 566 HE1 MET 71 HE3 MET 71 4.300 -29.154 3.718 567 HE2 MET 71 HE1 MET 71 5.281 -27.836 3.021 568 HE3 MET 71 HE2 MET 71 6.018 -29.396 3.478 569 H THR 72 H THR 72 4.162 -30.456 6.989 570 HA THR 72 HA THR 72 4.062 -31.485 4.238 571 HB THR 72 HB THR 72 5.534 -32.560 6.649 572 HG1 THR 72 HG1 THR 72 6.267 -30.477 6.293 573 HG21 THR 72 HG23 THR 72 5.639 -34.184 4.852 574 HG22 THR 72 HG21 THR 72 6.021 -32.915 3.663 575 HG23 THR 72 HG22 THR 72 7.195 -33.354 4.923 576 H ALA 73 H ALA 73 3.151 -32.739 7.507 577 HA ALA 73 HA ALA 73 3.096 -35.432 6.899 578 HB1 ALA 73 HB3 ALA 73 2.898 -34.376 9.163 579 HB2 ALA 73 HB1 ALA 73 1.181 -34.043 8.808 580 HB3 ALA 73 HB2 ALA 73 1.763 -35.710 8.893 581 H CYS 74 H CYS 74 0.692 -33.113 6.032 582 HA CYS 74 HA CYS 74 -1.460 -34.841 5.354 583 HB2 CYS 74 HB2 CYS 74 -2.236 -32.922 4.069 584 HB3 CYS 74 HB3 CYS 74 -1.511 -32.326 5.580 585 HG CYS 74 HG CYS 74 0.725 -31.410 4.580 586 H GLN 75 H GLN 75 1.528 -34.370 3.562 587 HA GLN 75 HA GLN 75 0.446 -34.755 0.996 588 HB2 GLN 75 HB2 GLN 75 2.692 -34.796 0.222 589 HB3 GLN 75 HB3 GLN 75 2.550 -33.629 1.530 590 HG2 GLN 75 HG2 GLN 75 4.442 -34.529 2.300 591 HG3 GLN 75 HG3 GLN 75 3.437 -35.824 2.935 592 HE21 GLN 75 HE22 GLN 75 3.477 -37.877 1.782 593 HE22 GLN 75 HE21 GLN 75 4.750 -38.176 0.578 594 H GLY 76 H GLY 76 -0.487 -36.423 0.097 595 HA2 GLY 76 HA2 GLY 76 -1.012 -38.554 -0.570 596 HA3 GLY 76 HA3 GLY 76 0.688 -38.951 -0.314 597 H VAL 77 H VAL 77 -0.918 -37.991 2.555 598 HA VAL 77 HA VAL 77 -0.261 -40.287 3.927 599 HB VAL 77 HB VAL 77 -0.557 -37.889 4.654 600 HG11 VAL 77 HG11 VAL 77 -3.357 -38.699 5.460 601 HG12 VAL 77 HG12 VAL 77 -2.537 -37.153 5.703 602 HG13 VAL 77 HG13 VAL 77 -2.976 -37.667 4.064 603 HG21 VAL 77 HG23 VAL 77 -1.526 -39.975 6.637 604 HG22 VAL 77 HG21 VAL 77 0.173 -39.670 6.188 605 HG23 VAL 77 HG22 VAL 77 -0.783 -38.413 6.986 606 H GLY 78 H GLY 78 -2.188 -41.097 1.835 607 HA2 GLY 78 HA2 GLY 78 -3.233 -43.309 3.075 608 HA3 GLY 78 HA3 GLY 78 -4.591 -42.177 3.112 609 H GLY 79 H GLY 79 -4.033 -40.913 0.554 610 HA2 GLY 79 HA2 GLY 79 -3.409 -41.731 -1.709 611 HA3 GLY 79 HA3 GLY 79 -4.374 -43.168 -1.404 612 HA PRO 80 HA PRO 80 -7.851 -41.272 -3.205 613 HB2 PRO 80 HB2 PRO 80 -10.063 -41.630 -1.618 614 HB3 PRO 80 HB3 PRO 80 -9.200 -42.970 -2.435 615 HG2 PRO 80 HG2 PRO 80 -8.886 -42.021 0.429 616 HG3 PRO 80 HG3 PRO 80 -9.100 -43.701 -0.164 617 HD2 PRO 80 HD2 PRO 80 -6.660 -42.667 0.437 618 HD3 PRO 80 HD3 PRO 80 -6.865 -43.807 -0.926 619 H GLY 81 H GLY 81 -9.331 -39.509 -3.383 620 HA2 GLY 81 HA2 GLY 81 -10.025 -37.565 -1.553 621 HA3 GLY 81 HA3 GLY 81 -8.400 -37.085 -2.048 622 H HIS 82 H HIS 82 -8.699 -38.067 -4.764 623 HA HIS 82 HA HIS 82 -9.130 -36.995 -6.815 624 HB2 HIS 82 HB2 HIS 82 -11.416 -37.970 -7.452 625 HB3 HIS 82 HB3 HIS 82 -10.151 -39.031 -6.879 626 HD2 HIS 82 HD2 HIS 82 -12.716 -37.050 -4.695 627 HE1 HIS 82 HE1 HIS 82 -13.007 -41.190 -3.718 628 HE2 HIS 82 HE2 HIS 82 -13.904 -38.858 -3.190 629 H LYS 83 H LYS 83 -9.100 -34.740 -5.388 630 HA LYS 83 HA LYS 83 -11.326 -33.141 -6.574 631 HB2 LYS 83 HB2 LYS 83 -11.794 -33.655 -4.190 632 HB3 LYS 83 HB3 LYS 83 -10.254 -32.918 -3.732 633 HG2 LYS 83 HG2 LYS 83 -11.066 -30.737 -4.723 634 HG3 LYS 83 HG3 LYS 83 -12.617 -31.523 -5.082 635 HD2 LYS 83 HD2 LYS 83 -12.929 -31.968 -2.639 636 HD3 LYS 83 HD3 LYS 83 -11.357 -31.226 -2.319 637 HE2 LYS 83 HE2 LYS 83 -12.978 -29.557 -1.819 638 HE3 LYS 83 HE3 LYS 83 -12.181 -29.081 -3.321 639 HZ1 LYS 83 HZ3 LYS 83 -14.111 -30.023 -4.518 640 HZ2 LYS 83 HZ1 LYS 83 -14.847 -30.379 -3.094 641 HZ3 LYS 83 HZ2 LYS 83 -14.568 -28.813 -3.506 642 H ALA 84 H ALA 84 -10.080 -32.381 -8.190 643 HA ALA 84 HA ALA 84 -7.794 -30.581 -7.511 644 HB1 ALA 84 HB3 ALA 84 -6.998 -32.768 -8.381 645 HB2 ALA 84 HB1 ALA 84 -7.983 -32.539 -9.844 646 HB3 ALA 84 HB2 ALA 84 -6.628 -31.443 -9.494 647 H ARG 85 H ARG 85 -7.232 -29.351 -9.713 648 HA ARG 85 HA ARG 85 -9.497 -28.497 -11.325 649 HB2 ARG 85 HB2 ARG 85 -9.689 -27.228 -9.101 650 HB3 ARG 85 HB3 ARG 85 -8.150 -26.454 -9.482 651 HG2 ARG 85 HG2 ARG 85 -9.146 -25.377 -11.442 652 HG3 ARG 85 HG3 ARG 85 -10.639 -26.310 -11.246 653 HD2 ARG 85 HD2 ARG 85 -11.168 -25.079 -9.210 654 HD3 ARG 85 HD3 ARG 85 -9.553 -24.356 -9.183 655 HE ARG 85 HE ARG 85 -10.100 -22.881 -10.869 656 HH11 ARG 85 HH11 ARG 85 -12.854 -25.002 -10.466 657 HH12 ARG 85 HH12 ARG 85 -13.736 -24.269 -11.781 658 HH21 ARG 85 HH21 ARG 85 -11.257 -21.963 -12.461 659 HH22 ARG 85 HH22 ARG 85 -12.846 -22.537 -12.878 660 H VAL 86 H VAL 86 -8.629 -26.555 -12.752 661 HA VAL 86 HA VAL 86 -5.716 -26.628 -13.214 662 HB VAL 86 HB VAL 86 -6.648 -28.094 -14.906 663 HG11 VAL 86 HG11 VAL 86 -8.345 -25.758 -15.873 664 HG12 VAL 86 HG12 VAL 86 -8.159 -27.334 -16.664 665 HG13 VAL 86 HG13 VAL 86 -8.958 -27.236 -15.091 666 HG21 VAL 86 HG23 VAL 86 -5.828 -25.431 -16.132 667 HG22 VAL 86 HG21 VAL 86 -4.721 -26.652 -15.471 668 HG23 VAL 86 HG22 VAL 86 -5.718 -27.036 -16.883 669 H LEU 87 H LEU 87 -4.854 -24.674 -13.517 670 HA LEU 87 HA LEU 87 -5.735 -22.175 -14.142 671 HB2 LEU 87 HB2 LEU 87 -6.255 -21.078 -12.116 672 HB3 LEU 87 HB3 LEU 87 -7.399 -22.393 -12.254 673 HG LEU 87 HG LEU 87 -4.981 -22.214 -10.388 674 HD11 LEU 87 HD11 LEU 87 -7.979 -22.270 -9.873 675 HD12 LEU 87 HD12 LEU 87 -6.695 -22.129 -8.651 676 HD13 LEU 87 HD13 LEU 87 -6.935 -20.827 -9.823 677 HD21 LEU 87 HD23 LEU 87 -6.997 -24.476 -10.678 678 HD22 LEU 87 HD21 LEU 87 -5.231 -24.567 -10.907 679 HD23 LEU 87 HD22 LEU 87 -5.882 -24.268 -9.300 Start of MODEL 3 1 H1 MET 1 H1 MET 1 8.676 -0.056 -3.112 2 H2 MET 1 H2 MET 1 9.398 -0.448 -4.525 3 H3 MET 1 H3 MET 1 9.211 1.147 -4.119 4 HA MET 1 HA MET 1 11.483 0.441 -3.825 5 HB2 MET 1 HB2 MET 1 10.466 2.139 -2.262 6 HB3 MET 1 HB3 MET 1 10.137 0.847 -1.108 7 HG2 MET 1 HG2 MET 1 12.228 2.096 -0.616 8 HG3 MET 1 HG3 MET 1 12.554 0.390 -0.914 9 HE1 MET 1 HE3 MET 1 14.819 2.614 -0.878 10 HE2 MET 1 HE1 MET 1 15.127 0.889 -1.192 11 HE3 MET 1 HE2 MET 1 15.781 2.125 -2.289 12 H SER 2 H SER 2 11.118 -0.997 -0.746 13 HA SER 2 HA SER 2 11.792 -3.628 -1.454 14 HB2 SER 2 HB2 SER 2 9.996 -2.892 0.881 15 HB3 SER 2 HB3 SER 2 11.281 -4.109 0.824 16 HG SER 2 HG SER 2 12.009 -2.326 1.944 17 HA PRO 3 HA PRO 3 7.659 -5.401 -2.450 18 HB2 PRO 3 HB2 PRO 3 7.951 -7.987 -1.675 19 HB3 PRO 3 HB3 PRO 3 8.842 -7.325 -3.067 20 HG2 PRO 3 HG2 PRO 3 9.850 -7.633 -0.216 21 HG3 PRO 3 HG3 PRO 3 10.638 -8.175 -1.730 22 HD2 PRO 3 HD2 PRO 3 11.251 -5.817 -0.510 23 HD3 PRO 3 HD3 PRO 3 11.260 -5.977 -2.290 24 H THR 4 H THR 4 6.146 -7.144 -0.859 25 HA THR 4 HA THR 4 6.261 -6.236 1.883 26 HB THR 4 HB THR 4 3.813 -5.602 1.951 27 HG1 THR 4 HG1 THR 4 2.761 -5.127 0.215 28 HG21 THR 4 HG23 THR 4 5.657 -3.914 2.110 29 HG22 THR 4 HG21 THR 4 5.504 -3.657 0.357 30 HG23 THR 4 HG22 THR 4 4.138 -3.288 1.431 31 H SER 5 H SER 5 5.330 -7.430 3.323 32 HA SER 5 HA SER 5 4.836 -10.104 3.172 33 HB2 SER 5 HB2 SER 5 3.523 -8.162 5.112 34 HB3 SER 5 HB3 SER 5 3.960 -9.847 5.432 35 HG SER 5 HG SER 5 6.089 -9.317 5.303 36 H ILE 6 H ILE 6 2.877 -11.198 4.087 37 HA ILE 6 HA ILE 6 0.396 -10.456 2.572 38 HB ILE 6 HB ILE 6 -0.064 -12.639 2.060 39 HG12 ILE 6 HG12 ILE 6 1.386 -14.575 3.165 40 HG13 ILE 6 HG13 ILE 6 1.545 -13.465 4.480 41 HG21 ILE 6 HG21 ILE 6 2.959 -12.816 2.229 42 HG22 ILE 6 HG22 ILE 6 1.894 -13.575 1.029 43 HG23 ILE 6 HG23 ILE 6 2.118 -11.814 1.025 44 HD11 ILE 6 HD13 ILE 6 -0.984 -13.498 4.716 45 HD12 ILE 6 HD11 ILE 6 -1.022 -14.660 3.363 46 HD13 ILE 6 HD12 ILE 6 -0.212 -15.061 4.895 47 H LEU 7 H LEU 7 1.783 -11.450 5.546 48 HA LEU 7 HA LEU 7 -0.053 -12.531 7.091 49 HB2 LEU 7 HB2 LEU 7 1.149 -11.681 9.049 50 HB3 LEU 7 HB3 LEU 7 2.197 -12.176 7.739 51 HG LEU 7 HG LEU 7 2.329 -9.640 7.108 52 HD11 LEU 7 HD11 LEU 7 1.367 -9.424 9.998 53 HD12 LEU 7 HD12 LEU 7 2.126 -8.118 9.059 54 HD13 LEU 7 HD13 LEU 7 0.561 -8.746 8.571 55 HD21 LEU 7 HD23 LEU 7 3.567 -10.657 9.698 56 HD22 LEU 7 HD21 LEU 7 4.188 -10.938 8.054 57 HD23 LEU 7 HD22 LEU 7 4.157 -9.302 8.699 58 H ASP 8 H ASP 8 -0.901 -9.575 5.944 59 HA ASP 8 HA ASP 8 -2.649 -8.490 8.035 60 HB2 ASP 8 HB2 ASP 8 -1.863 -7.038 6.273 61 HB3 ASP 8 HB3 ASP 8 -2.324 -8.184 5.019 62 H ILE 9 H ILE 9 -2.978 -10.621 5.166 63 HA ILE 9 HA ILE 9 -5.781 -10.750 5.336 64 HB ILE 9 HB ILE 9 -5.825 -12.444 3.720 65 HG12 ILE 9 HG12 ILE 9 -2.811 -12.566 3.512 66 HG13 ILE 9 HG13 ILE 9 -3.672 -13.690 4.555 67 HG21 ILE 9 HG21 ILE 9 -3.711 -10.342 3.067 68 HG22 ILE 9 HG22 ILE 9 -4.795 -11.150 1.915 69 HG23 ILE 9 HG23 ILE 9 -5.450 -10.049 3.136 70 HD11 ILE 9 HD13 ILE 9 -5.078 -14.412 2.666 71 HD12 ILE 9 HD11 ILE 9 -4.163 -13.339 1.582 72 HD13 ILE 9 HD12 ILE 9 -3.349 -14.706 2.375 73 H ARG 10 H ARG 10 -7.160 -11.779 6.377 74 HA ARG 10 HA ARG 10 -7.556 -12.586 8.656 75 HB2 ARG 10 HB2 ARG 10 -9.222 -14.327 7.884 76 HB3 ARG 10 HB3 ARG 10 -9.246 -12.769 7.103 77 HG2 ARG 10 HG2 ARG 10 -9.582 -14.144 5.357 78 HG3 ARG 10 HG3 ARG 10 -7.915 -13.789 5.154 79 HD2 ARG 10 HD2 ARG 10 -7.238 -15.906 5.336 80 HD3 ARG 10 HD3 ARG 10 -8.266 -16.293 6.708 81 HE ARG 10 HE ARG 10 -8.948 -16.684 3.864 82 HH11 ARG 10 HH11 ARG 10 -10.168 -16.712 7.134 83 HH12 ARG 10 HH12 ARG 10 -11.598 -17.620 6.693 84 HH21 ARG 10 HH21 ARG 10 -10.693 -17.972 3.388 85 HH22 ARG 10 HH22 ARG 10 -11.841 -18.357 4.621 86 H GLN 11 H GLN 11 -5.041 -13.252 9.131 87 HA GLN 11 HA GLN 11 -3.984 -15.594 8.906 88 HB2 GLN 11 HB2 GLN 11 -3.941 -13.885 11.321 89 HB3 GLN 11 HB3 GLN 11 -3.259 -15.508 11.469 90 HG2 GLN 11 HG2 GLN 11 -1.887 -15.117 9.415 91 HG3 GLN 11 HG3 GLN 11 -2.447 -13.454 9.382 92 HE21 GLN 11 HE22 GLN 11 0.346 -14.262 9.621 93 HE22 GLN 11 HE21 GLN 11 0.860 -13.871 11.270 94 H GLY 12 H GLY 12 -4.722 -17.369 8.626 95 HA2 GLY 12 HA2 GLY 12 -5.893 -19.223 10.478 96 HA3 GLY 12 HA3 GLY 12 -7.180 -18.202 9.748 97 HA PRO 13 HA PRO 13 -5.545 -20.827 6.100 98 HB2 PRO 13 HB2 PRO 13 -3.709 -22.761 6.503 99 HB3 PRO 13 HB3 PRO 13 -3.258 -21.041 6.358 100 HG2 PRO 13 HG2 PRO 13 -3.732 -22.583 8.951 101 HG3 PRO 13 HG3 PRO 13 -2.249 -21.693 8.496 102 HD2 PRO 13 HD2 PRO 13 -4.212 -20.558 9.978 103 HD3 PRO 13 HD3 PRO 13 -3.360 -19.594 8.742 104 H LYS 14 H LYS 14 -6.149 -22.002 9.216 105 HA LYS 14 HA LYS 14 -6.488 -24.538 9.632 106 HB2 LYS 14 HB2 LYS 14 -8.724 -22.564 10.121 107 HB3 LYS 14 HB3 LYS 14 -8.519 -24.119 10.946 108 HG2 LYS 14 HG2 LYS 14 -6.679 -23.398 12.191 109 HG3 LYS 14 HG3 LYS 14 -6.232 -22.133 11.052 110 HD2 LYS 14 HD2 LYS 14 -8.227 -20.815 11.684 111 HD3 LYS 14 HD3 LYS 14 -8.637 -22.033 12.911 112 HE2 LYS 14 HE2 LYS 14 -6.566 -21.613 14.117 113 HE3 LYS 14 HE3 LYS 14 -5.937 -20.604 12.810 114 HZ1 LYS 14 HZ3 LYS 14 -7.664 -18.975 13.277 115 HZ2 LYS 14 HZ1 LYS 14 -8.286 -19.911 14.483 116 HZ3 LYS 14 HZ2 LYS 14 -6.785 -19.249 14.626 117 H GLU 15 H GLU 15 -9.799 -23.839 8.882 118 HA GLU 15 HA GLU 15 -10.109 -26.096 7.142 119 HB2 GLU 15 HB2 GLU 15 -11.921 -23.668 7.412 120 HB3 GLU 15 HB3 GLU 15 -12.307 -25.206 6.644 121 HG2 GLU 15 HG2 GLU 15 -11.825 -26.292 8.925 122 HG3 GLU 15 HG3 GLU 15 -11.823 -24.659 9.597 123 HA PRO 16 HA PRO 16 -10.129 -23.138 3.488 124 HB2 PRO 16 HB2 PRO 16 -9.259 -20.538 3.564 125 HB3 PRO 16 HB3 PRO 16 -10.828 -21.048 4.245 126 HG2 PRO 16 HG2 PRO 16 -8.165 -20.764 5.671 127 HG3 PRO 16 HG3 PRO 16 -9.716 -19.958 6.092 128 HD2 PRO 16 HD2 PRO 16 -8.977 -22.224 7.292 129 HD3 PRO 16 HD3 PRO 16 -10.682 -21.976 6.819 130 H PHE 17 H PHE 17 -7.785 -24.796 4.355 131 HA PHE 17 HA PHE 17 -5.353 -23.594 3.901 132 HB2 PHE 17 HB2 PHE 17 -6.153 -26.244 4.215 133 HB3 PHE 17 HB3 PHE 17 -5.374 -26.248 2.660 134 HD1 PHE 17 HD1 PHE 17 -4.771 -24.864 6.117 135 HD2 PHE 17 HD2 PHE 17 -3.070 -26.928 2.733 136 HE1 PHE 17 HE1 PHE 17 -2.551 -24.954 7.267 137 HE2 PHE 17 HE2 PHE 17 -0.894 -27.045 3.914 138 HZ PHE 17 HZ PHE 17 -0.637 -26.034 6.188 139 H ARG 18 H ARG 18 -7.466 -24.756 1.200 140 HA ARG 18 HA ARG 18 -5.566 -24.052 -0.849 141 HB2 ARG 18 HB2 ARG 18 -7.162 -24.719 -2.397 142 HB3 ARG 18 HB3 ARG 18 -7.216 -25.813 -1.027 143 HG2 ARG 18 HG2 ARG 18 -9.440 -25.577 -1.591 144 HG3 ARG 18 HG3 ARG 18 -9.232 -24.569 -0.169 145 HD2 ARG 18 HD2 ARG 18 -10.613 -23.415 -1.579 146 HD3 ARG 18 HD3 ARG 18 -9.130 -22.540 -1.727 147 HE ARG 18 HE ARG 18 -10.388 -24.128 -3.869 148 HH11 ARG 18 HH11 ARG 18 -7.476 -22.227 -2.942 149 HH12 ARG 18 HH12 ARG 18 -6.970 -22.172 -4.582 150 HH21 ARG 18 HH21 ARG 18 -9.521 -23.805 -6.025 151 HH22 ARG 18 HH22 ARG 18 -7.980 -22.963 -6.113 152 H ASP 19 H ASP 19 -8.163 -22.499 0.811 153 HA ASP 19 HA ASP 19 -8.434 -20.229 -1.060 154 HB2 ASP 19 HB2 ASP 19 -10.437 -21.057 -0.092 155 HB3 ASP 19 HB3 ASP 19 -9.794 -20.982 1.534 156 H TYR 20 H TYR 20 -6.276 -20.993 1.220 157 HA TYR 20 HA TYR 20 -5.405 -18.142 1.618 158 HB2 TYR 20 HB2 TYR 20 -6.158 -19.587 3.628 159 HB3 TYR 20 HB3 TYR 20 -4.648 -20.435 3.444 160 HD1 TYR 20 HD2 TYR 20 -2.499 -18.588 3.212 161 HD2 TYR 20 HD1 TYR 20 -6.259 -17.974 5.236 162 HE1 TYR 20 HE2 TYR 20 -1.457 -16.877 4.664 163 HE2 TYR 20 HE1 TYR 20 -5.230 -16.122 6.559 164 HH TYR 20 HH TYR 20 -3.341 -14.683 6.665 165 H VAL 21 H VAL 21 -4.184 -21.504 1.008 166 HA VAL 21 HA VAL 21 -1.495 -20.776 0.613 167 HB VAL 21 HB VAL 21 -2.353 -23.083 0.924 168 HG11 VAL 21 HG11 VAL 21 -2.742 -23.427 -2.036 169 HG12 VAL 21 HG12 VAL 21 -3.336 -24.389 -0.648 170 HG13 VAL 21 HG13 VAL 21 -4.042 -22.803 -1.047 171 HG21 VAL 21 HG23 VAL 21 -0.607 -22.968 -1.528 172 HG22 VAL 21 HG21 VAL 21 -0.007 -22.627 0.103 173 HG23 VAL 21 HG22 VAL 21 -0.740 -24.215 -0.256 174 H ASP 22 H ASP 22 -4.056 -20.944 -1.957 175 HA ASP 22 HA ASP 22 -2.346 -20.390 -4.077 176 HB2 ASP 22 HB2 ASP 22 -5.249 -19.842 -3.419 177 HB3 ASP 22 HB3 ASP 22 -4.604 -19.430 -4.962 178 H ARG 23 H ARG 23 -4.312 -18.287 -2.178 179 HA ARG 23 HA ARG 23 -3.741 -15.709 -3.187 180 HB2 ARG 23 HB2 ARG 23 -4.079 -16.103 -0.186 181 HB3 ARG 23 HB3 ARG 23 -4.774 -14.868 -1.226 182 HG2 ARG 23 HG2 ARG 23 -5.603 -17.760 -0.968 183 HG3 ARG 23 HG3 ARG 23 -6.306 -16.317 -0.225 184 HD2 ARG 23 HD2 ARG 23 -6.439 -15.486 -2.747 185 HD3 ARG 23 HD3 ARG 23 -6.439 -17.244 -3.080 186 HE ARG 23 HE ARG 23 -8.050 -16.899 -0.896 187 HH11 ARG 23 HH11 ARG 23 -8.271 -15.535 -4.103 188 HH12 ARG 23 HH12 ARG 23 -9.992 -15.253 -4.001 189 HH21 ARG 23 HH21 ARG 23 -10.338 -16.975 -1.072 190 HH22 ARG 23 HH22 ARG 23 -11.133 -16.014 -2.267 191 H PHE 24 H PHE 24 -2.068 -17.519 -0.652 192 HA PHE 24 HA PHE 24 -0.144 -15.399 -0.152 193 HB2 PHE 24 HB2 PHE 24 -0.954 -17.053 1.535 194 HB3 PHE 24 HB3 PHE 24 -0.101 -18.332 0.684 195 HD1 PHE 24 HD2 PHE 24 2.205 -15.640 0.420 196 HD2 PHE 24 HD1 PHE 24 0.344 -18.019 3.484 197 HE1 PHE 24 HE2 PHE 24 4.134 -15.303 1.861 198 HE2 PHE 24 HE1 PHE 24 2.328 -17.689 4.879 199 HZ PHE 24 HZ PHE 24 4.409 -16.561 3.883 200 H TYR 25 H TYR 25 0.296 -18.739 -1.653 201 HA TYR 25 HA TYR 25 3.012 -18.136 -2.264 202 HB2 TYR 25 HB2 TYR 25 1.193 -20.321 -3.090 203 HB3 TYR 25 HB3 TYR 25 2.691 -20.049 -3.974 204 HD1 TYR 25 HD2 TYR 25 2.013 -19.757 -0.219 205 HD2 TYR 25 HD1 TYR 25 4.197 -21.772 -3.366 206 HE1 TYR 25 HE2 TYR 25 3.419 -20.839 1.435 207 HE2 TYR 25 HE1 TYR 25 5.522 -22.994 -1.643 208 HH TYR 25 HH TYR 25 5.299 -23.604 0.890 209 H LYS 26 H LYS 26 0.122 -17.297 -4.091 210 HA LYS 26 HA LYS 26 1.292 -16.307 -6.475 211 HB2 LYS 26 HB2 LYS 26 -1.029 -16.494 -6.321 212 HB3 LYS 26 HB3 LYS 26 -1.128 -15.619 -4.805 213 HG2 LYS 26 HG2 LYS 26 -0.364 -14.168 -7.352 214 HG3 LYS 26 HG3 LYS 26 -2.045 -14.527 -6.935 215 HD2 LYS 26 HD2 LYS 26 -1.722 -13.401 -4.710 216 HD3 LYS 26 HD3 LYS 26 -0.116 -12.898 -5.238 217 HE2 LYS 26 HE2 LYS 26 -1.137 -11.717 -7.185 218 HE3 LYS 26 HE3 LYS 26 -2.739 -12.126 -6.548 219 HZ1 LYS 26 HZ3 LYS 26 -2.143 -10.937 -4.504 220 HZ2 LYS 26 HZ1 LYS 26 -0.679 -10.533 -5.111 221 HZ3 LYS 26 HZ2 LYS 26 -2.040 -9.919 -5.793 222 H THR 27 H THR 27 1.409 -14.779 -3.251 223 HA THR 27 HA THR 27 2.821 -12.397 -4.407 224 HB THR 27 HB THR 27 2.622 -11.497 -2.026 225 HG1 THR 27 HG1 THR 27 1.240 -12.453 -0.702 226 HG21 THR 27 HG23 THR 27 1.101 -10.800 -3.968 227 HG22 THR 27 HG21 THR 27 -0.114 -11.904 -3.232 228 HG23 THR 27 HG22 THR 27 0.515 -10.524 -2.315 229 H LEU 28 H LEU 28 3.151 -14.873 -1.806 230 HA LEU 28 HA LEU 28 5.763 -14.283 -0.960 231 HB2 LEU 28 HB2 LEU 28 4.732 -16.086 0.125 232 HB3 LEU 28 HB3 LEU 28 4.363 -16.910 -1.383 233 HG LEU 28 HG LEU 28 7.266 -16.582 -0.776 234 HD11 LEU 28 HD11 LEU 28 5.510 -18.437 0.834 235 HD12 LEU 28 HD12 LEU 28 7.289 -18.382 0.882 236 HD13 LEU 28 HD13 LEU 28 6.358 -17.006 1.472 237 HD21 LEU 28 HD23 LEU 28 5.595 -18.995 -1.597 238 HD22 LEU 28 HD21 LEU 28 6.562 -17.985 -2.691 239 HD23 LEU 28 HD22 LEU 28 7.360 -18.955 -1.455 240 H ARG 29 H ARG 29 4.928 -16.123 -3.937 241 HA ARG 29 HA ARG 29 7.623 -16.290 -4.847 242 HB2 ARG 29 HB2 ARG 29 6.801 -17.190 -6.839 243 HB3 ARG 29 HB3 ARG 29 5.777 -17.729 -5.533 244 HG2 ARG 29 HG2 ARG 29 4.064 -17.139 -6.900 245 HG3 ARG 29 HG3 ARG 29 4.381 -15.504 -6.311 246 HD2 ARG 29 HD2 ARG 29 6.172 -15.767 -8.441 247 HD3 ARG 29 HD3 ARG 29 4.833 -16.761 -8.963 248 HE ARG 29 HE ARG 29 3.336 -14.805 -8.614 249 HH11 ARG 29 HH11 ARG 29 6.712 -13.898 -8.522 250 HH12 ARG 29 HH12 ARG 29 6.460 -12.452 -9.453 251 HH21 ARG 29 HH21 ARG 29 3.081 -12.963 -9.834 252 HH22 ARG 29 HH22 ARG 29 4.436 -11.902 -10.124 253 H ALA 30 H ALA 30 6.456 -13.406 -4.252 254 HA ALA 30 HA ALA 30 8.255 -12.145 -6.235 255 HB1 ALA 30 HB3 ALA 30 5.815 -11.832 -6.942 256 HB2 ALA 30 HB1 ALA 30 5.542 -11.000 -5.401 257 HB3 ALA 30 HB2 ALA 30 6.669 -10.315 -6.585 258 H GLU 31 H GLU 31 7.957 -12.859 -3.119 259 HA GLU 31 HA GLU 31 9.011 -10.293 -2.000 260 HB2 GLU 31 HB2 GLU 31 6.761 -10.155 -1.442 261 HB3 GLU 31 HB3 GLU 31 6.530 -11.884 -1.466 262 HG2 GLU 31 HG2 GLU 31 6.092 -11.137 0.692 263 HG3 GLU 31 HG3 GLU 31 7.478 -12.190 0.694 264 H GLN 32 H GLN 32 8.232 -13.638 -1.024 265 HA GLN 32 HA GLN 32 10.801 -13.916 0.415 266 HB2 GLN 32 HB2 GLN 32 8.095 -14.897 0.724 267 HB3 GLN 32 HB3 GLN 32 9.108 -16.304 0.410 268 HG2 GLN 32 HG2 GLN 32 8.825 -15.824 2.805 269 HG3 GLN 32 HG3 GLN 32 10.518 -15.825 2.283 270 HE21 GLN 32 HE22 GLN 32 7.761 -13.469 2.795 271 HE22 GLN 32 HE21 GLN 32 8.851 -12.125 3.016 272 H ALA 33 H ALA 33 9.377 -14.944 -2.495 273 HA ALA 33 HA ALA 33 9.742 -16.329 -4.173 274 HB1 ALA 33 HB3 ALA 33 11.479 -14.686 -4.521 275 HB2 ALA 33 HB1 ALA 33 12.634 -15.671 -3.587 276 HB3 ALA 33 HB2 ALA 33 11.986 -16.274 -5.129 277 H SER 34 H SER 34 11.076 -17.590 -1.283 278 HA SER 34 HA SER 34 12.517 -19.661 -1.560 279 HB2 SER 34 HB2 SER 34 11.559 -19.129 0.556 280 HB3 SER 34 HB3 SER 34 9.938 -19.612 0.030 281 HG SER 34 HG SER 34 12.131 -21.401 0.133 282 H GLN 35 H GLN 35 9.094 -20.197 -2.351 283 HA GLN 35 HA GLN 35 8.030 -22.167 -2.867 284 HB2 GLN 35 HB2 GLN 35 8.104 -20.670 -4.713 285 HB3 GLN 35 HB3 GLN 35 9.666 -21.267 -5.235 286 HG2 GLN 35 HG2 GLN 35 7.669 -21.939 -6.626 287 HG3 GLN 35 HG3 GLN 35 8.734 -23.240 -6.158 288 HE21 GLN 35 HE22 GLN 35 6.660 -24.358 -6.924 289 HE22 GLN 35 HE21 GLN 35 5.406 -24.598 -5.719 290 H GLU 36 H GLU 36 9.825 -23.185 -1.221 291 HA GLU 36 HA GLU 36 10.180 -25.871 -2.419 292 HB2 GLU 36 HB2 GLU 36 12.385 -24.660 -2.465 293 HB3 GLU 36 HB3 GLU 36 12.299 -24.526 -0.695 294 HG2 GLU 36 HG2 GLU 36 12.280 -26.965 -0.498 295 HG3 GLU 36 HG3 GLU 36 12.226 -27.154 -2.258 296 H VAL 37 H VAL 37 10.348 -27.539 -0.803 297 HA VAL 37 HA VAL 37 8.522 -27.834 1.236 298 HB VAL 37 HB VAL 37 11.302 -28.992 0.834 299 HG11 VAL 37 HG11 VAL 37 9.187 -30.052 2.735 300 HG12 VAL 37 HG12 VAL 37 10.619 -30.950 2.193 301 HG13 VAL 37 HG13 VAL 37 10.813 -29.475 3.142 302 HG21 VAL 37 HG23 VAL 37 8.547 -30.084 0.131 303 HG22 VAL 37 HG21 VAL 37 9.755 -29.467 -1.011 304 HG23 VAL 37 HG22 VAL 37 10.085 -30.935 -0.096 305 H LYS 38 H LYS 38 11.523 -25.957 1.594 306 HA LYS 38 HA LYS 38 11.639 -26.240 4.512 307 HB2 LYS 38 HB2 LYS 38 12.834 -23.886 3.116 308 HB3 LYS 38 HB3 LYS 38 13.498 -24.844 4.439 309 HG2 LYS 38 HG2 LYS 38 13.396 -25.543 1.497 310 HG3 LYS 38 HG3 LYS 38 14.765 -24.825 2.311 311 HD2 LYS 38 HD2 LYS 38 15.314 -26.822 3.512 312 HD3 LYS 38 HD3 LYS 38 13.751 -27.604 3.062 313 HE2 LYS 38 HE2 LYS 38 14.208 -27.326 0.739 314 HE3 LYS 38 HE3 LYS 38 15.677 -26.423 0.997 315 HZ1 LYS 38 HZ3 LYS 38 16.739 -28.462 1.632 316 HZ2 LYS 38 HZ1 LYS 38 15.297 -29.305 1.541 317 HZ3 LYS 38 HZ2 LYS 38 15.929 -28.609 0.194 318 H ASN 39 H ASN 39 9.976 -24.244 2.345 319 HA ASN 39 HA ASN 39 9.391 -21.991 2.356 320 HB2 ASN 39 HB2 ASN 39 7.244 -22.165 2.369 321 HB3 ASN 39 HB3 ASN 39 7.720 -23.842 2.139 322 HD21 ASN 39 HD22 ASN 39 5.309 -22.587 3.062 323 HD22 ASN 39 HD21 ASN 39 5.013 -23.268 4.700 324 H ALA 40 H ALA 40 9.342 -22.916 5.778 325 HA ALA 40 HA ALA 40 8.035 -20.616 6.761 326 HB1 ALA 40 HB3 ALA 40 8.026 -22.922 7.669 327 HB2 ALA 40 HB1 ALA 40 9.708 -22.711 8.197 328 HB3 ALA 40 HB2 ALA 40 8.396 -21.714 8.892 329 H MET 41 H MET 41 9.869 -20.484 9.179 330 HA MET 41 HA MET 41 11.049 -18.823 10.168 331 HB2 MET 41 HB2 MET 41 12.721 -18.636 7.639 332 HB3 MET 41 HB3 MET 41 13.134 -18.039 9.246 333 HG2 MET 41 HG2 MET 41 12.972 -20.414 10.094 334 HG3 MET 41 HG3 MET 41 12.801 -20.938 8.413 335 HE1 MET 41 HE3 MET 41 14.967 -22.139 10.333 336 HE2 MET 41 HE1 MET 41 14.830 -22.591 8.616 337 HE3 MET 41 HE2 MET 41 16.411 -22.136 9.294 338 H THR 42 H THR 42 8.781 -18.258 8.319 339 HA THR 42 HA THR 42 8.648 -15.324 8.202 340 HB THR 42 HB THR 42 7.662 -15.750 5.773 341 HG1 THR 42 HG1 THR 42 9.443 -17.960 5.901 342 HG21 THR 42 HG23 THR 42 9.637 -14.413 5.926 343 HG22 THR 42 HG21 THR 42 10.648 -15.772 6.451 344 HG23 THR 42 HG22 THR 42 10.065 -15.712 4.797 345 H GLU 43 H GLU 43 6.221 -14.893 7.361 346 HA GLU 43 HA GLU 43 4.294 -16.304 8.885 347 HB2 GLU 43 HB2 GLU 43 2.660 -15.240 7.353 348 HB3 GLU 43 HB3 GLU 43 3.856 -14.130 8.027 349 HG2 GLU 43 HG2 GLU 43 4.893 -15.050 5.507 350 HG3 GLU 43 HG3 GLU 43 3.187 -14.719 5.261 351 H THR 44 H THR 44 5.824 -17.536 6.177 352 HA THR 44 HA THR 44 3.902 -18.948 4.808 353 HB THR 44 HB THR 44 6.593 -20.175 4.903 354 HG1 THR 44 HG1 THR 44 7.379 -18.225 4.601 355 HG21 THR 44 HG23 THR 44 4.636 -20.815 3.378 356 HG22 THR 44 HG21 THR 44 4.685 -19.182 2.736 357 HG23 THR 44 HG22 THR 44 6.085 -20.246 2.496 358 H LEU 45 H LEU 45 2.448 -19.874 5.734 359 HA LEU 45 HA LEU 45 2.808 -22.078 7.654 360 HB2 LEU 45 HB2 LEU 45 0.579 -21.275 8.516 361 HB3 LEU 45 HB3 LEU 45 1.952 -20.205 8.653 362 HG LEU 45 HG LEU 45 1.033 -19.061 6.458 363 HD11 LEU 45 HD11 LEU 45 -1.649 -19.797 7.397 364 HD12 LEU 45 HD12 LEU 45 -1.077 -19.257 5.814 365 HD13 LEU 45 HD13 LEU 45 -0.801 -20.937 6.332 366 HD21 LEU 45 HD23 LEU 45 -0.441 -18.723 9.087 367 HD22 LEU 45 HD21 LEU 45 1.158 -18.051 8.706 368 HD23 LEU 45 HD22 LEU 45 -0.242 -17.522 7.770 369 H LEU 46 H LEU 46 2.569 -22.370 4.648 370 HA LEU 46 HA LEU 46 1.151 -24.764 4.353 371 HB2 LEU 46 HB2 LEU 46 -0.791 -24.174 3.102 372 HB3 LEU 46 HB3 LEU 46 -0.862 -23.478 4.687 373 HG LEU 46 HG LEU 46 -0.691 -22.204 2.039 374 HD11 LEU 46 HD11 LEU 46 -2.138 -21.552 4.602 375 HD12 LEU 46 HD12 LEU 46 -2.409 -20.760 3.049 376 HD13 LEU 46 HD13 LEU 46 -2.806 -22.475 3.248 377 HD21 LEU 46 HD23 LEU 46 0.282 -20.592 4.365 378 HD22 LEU 46 HD21 LEU 46 1.183 -21.020 2.899 379 HD23 LEU 46 HD22 LEU 46 -0.231 -19.986 2.777 380 H VAL 47 H VAL 47 0.919 -25.234 1.713 381 HA VAL 47 HA VAL 47 3.136 -23.975 0.242 382 HB VAL 47 HB VAL 47 2.940 -26.979 0.738 383 HG11 VAL 47 HG11 VAL 47 5.213 -25.277 -0.355 384 HG12 VAL 47 HG12 VAL 47 5.228 -27.037 -0.130 385 HG13 VAL 47 HG13 VAL 47 4.137 -26.314 -1.316 386 HG21 VAL 47 HG23 VAL 47 4.797 -25.047 2.183 387 HG22 VAL 47 HG21 VAL 47 3.488 -26.019 2.873 388 HG23 VAL 47 HG22 VAL 47 4.899 -26.823 2.217 389 H GLN 48 H GLN 48 2.597 -23.831 -1.975 390 HA GLN 48 HA GLN 48 0.363 -24.596 -3.274 391 HB2 GLN 48 HB2 GLN 48 3.239 -24.434 -4.231 392 HB3 GLN 48 HB3 GLN 48 1.984 -24.993 -5.336 393 HG2 GLN 48 HG2 GLN 48 0.648 -22.957 -4.886 394 HG3 GLN 48 HG3 GLN 48 1.934 -22.371 -3.875 395 HE21 GLN 48 HE22 GLN 48 0.786 -22.273 -7.123 396 HE22 GLN 48 HE21 GLN 48 2.311 -21.692 -7.816 397 H ASN 49 H ASN 49 2.968 -27.006 -2.693 398 HA ASN 49 HA ASN 49 1.765 -28.937 -4.487 399 HB2 ASN 49 HB2 ASN 49 4.277 -28.642 -3.707 400 HB3 ASN 49 HB3 ASN 49 3.799 -29.683 -2.374 401 HD21 ASN 49 HD22 ASN 49 2.881 -31.786 -3.085 402 HD22 ASN 49 HD21 ASN 49 3.597 -32.490 -4.548 403 H ALA 50 H ALA 50 0.214 -27.922 -1.958 404 HA ALA 50 HA ALA 50 -0.273 -30.095 -0.212 405 HB1 ALA 50 HB3 ALA 50 -0.927 -27.777 0.236 406 HB2 ALA 50 HB1 ALA 50 -2.078 -27.807 -1.117 407 HB3 ALA 50 HB2 ALA 50 -2.335 -28.836 0.315 408 H ASN 51 H ASN 51 -1.615 -31.854 -0.298 409 HA ASN 51 HA ASN 51 -2.518 -32.698 -3.020 410 HB2 ASN 51 HB2 ASN 51 -1.709 -34.846 -2.448 411 HB3 ASN 51 HB3 ASN 51 -0.515 -33.794 -1.747 412 HD21 ASN 51 HD22 ASN 51 -1.356 -36.577 -0.865 413 HD22 ASN 51 HD21 ASN 51 -1.865 -36.331 0.750 414 HA PRO 52 HA PRO 52 -6.667 -33.193 -1.373 415 HB2 PRO 52 HB2 PRO 52 -7.534 -35.795 -1.308 416 HB3 PRO 52 HB3 PRO 52 -7.342 -34.841 -2.809 417 HG2 PRO 52 HG2 PRO 52 -5.427 -36.856 -1.620 418 HG3 PRO 52 HG3 PRO 52 -5.942 -36.686 -3.326 419 HD2 PRO 52 HD2 PRO 52 -3.599 -35.702 -2.375 420 HD3 PRO 52 HD3 PRO 52 -4.497 -34.856 -3.670 421 H ASP 53 H ASP 53 -4.541 -35.614 0.128 422 HA ASP 53 HA ASP 53 -5.917 -36.139 2.496 423 HB2 ASP 53 HB2 ASP 53 -3.961 -37.314 1.351 424 HB3 ASP 53 HB3 ASP 53 -2.917 -36.086 2.086 425 H CYS 54 H CYS 54 -3.121 -33.855 2.148 426 HA CYS 54 HA CYS 54 -3.031 -32.854 4.736 427 HB2 CYS 54 HB2 CYS 54 -1.295 -31.877 3.677 428 HB3 CYS 54 HB3 CYS 54 -2.083 -32.020 2.091 429 HG CYS 54 HG CYS 54 -2.188 -29.629 4.337 430 H LYS 55 H LYS 55 -4.923 -31.411 2.087 431 HA LYS 55 HA LYS 55 -6.147 -29.355 3.653 432 HB2 LYS 55 HB2 LYS 55 -6.979 -30.904 1.196 433 HB3 LYS 55 HB3 LYS 55 -8.033 -29.685 1.916 434 HG2 LYS 55 HG2 LYS 55 -6.974 -28.163 0.606 435 HG3 LYS 55 HG3 LYS 55 -5.743 -28.224 1.841 436 HD2 LYS 55 HD2 LYS 55 -4.613 -28.273 -0.200 437 HD3 LYS 55 HD3 LYS 55 -4.475 -29.932 0.397 438 HE2 LYS 55 HE2 LYS 55 -6.269 -30.659 -1.085 439 HE3 LYS 55 HE3 LYS 55 -6.704 -28.984 -1.484 440 HZ1 LYS 55 HZ3 LYS 55 -4.545 -28.765 -2.610 441 HZ2 LYS 55 HZ1 LYS 55 -4.123 -30.272 -2.205 442 HZ3 LYS 55 HZ2 LYS 55 -5.358 -30.037 -3.254 443 H THR 56 H THR 56 -7.306 -32.658 3.056 444 HA THR 56 HA THR 56 -9.748 -32.489 4.503 445 HB THR 56 HB THR 56 -7.997 -34.946 4.100 446 HG1 THR 56 HG1 THR 56 -8.272 -34.248 2.100 447 HG21 THR 56 HG23 THR 56 -9.930 -35.414 5.533 448 HG22 THR 56 HG21 THR 56 -11.009 -34.586 4.383 449 HG23 THR 56 HG22 THR 56 -10.193 -36.101 3.923 450 H ILE 57 H ILE 57 -6.463 -32.765 5.559 451 HA ILE 57 HA ILE 57 -7.245 -33.737 8.289 452 HB ILE 57 HB ILE 57 -4.565 -33.409 6.921 453 HG12 ILE 57 HG12 ILE 57 -5.796 -35.941 8.083 454 HG13 ILE 57 HG13 ILE 57 -6.226 -35.395 6.461 455 HG21 ILE 57 HG21 ILE 57 -5.127 -34.242 9.806 456 HG22 ILE 57 HG22 ILE 57 -3.578 -34.493 8.982 457 HG23 ILE 57 HG23 ILE 57 -4.137 -32.861 9.269 458 HD11 ILE 57 HD13 ILE 57 -3.864 -35.337 5.812 459 HD12 ILE 57 HD11 ILE 57 -3.403 -36.023 7.388 460 HD13 ILE 57 HD12 ILE 57 -4.423 -36.963 6.283 461 H LEU 58 H LEU 58 -5.048 -31.071 7.111 462 HA LEU 58 HA LEU 58 -4.977 -29.828 9.641 463 HB2 LEU 58 HB2 LEU 58 -4.542 -28.446 6.971 464 HB3 LEU 58 HB3 LEU 58 -4.090 -27.872 8.572 465 HG LEU 58 HG LEU 58 -2.810 -30.191 8.752 466 HD11 LEU 58 HD11 LEU 58 -3.235 -29.858 5.822 467 HD12 LEU 58 HD12 LEU 58 -1.720 -30.639 6.388 468 HD13 LEU 58 HD13 LEU 58 -3.265 -31.320 6.837 469 HD21 LEU 58 HD23 LEU 58 -2.045 -27.612 7.453 470 HD22 LEU 58 HD21 LEU 58 -1.454 -28.344 8.949 471 HD23 LEU 58 HD22 LEU 58 -0.858 -28.914 7.369 472 H LYS 59 H LYS 59 -7.425 -29.726 7.241 473 HA LYS 59 HA LYS 59 -9.194 -27.728 7.874 474 HB2 LYS 59 HB2 LYS 59 -9.375 -30.558 7.181 475 HB3 LYS 59 HB3 LYS 59 -10.744 -30.057 8.126 476 HG2 LYS 59 HG2 LYS 59 -9.909 -28.329 5.800 477 HG3 LYS 59 HG3 LYS 59 -10.630 -29.886 5.485 478 HD2 LYS 59 HD2 LYS 59 -11.869 -27.650 7.158 479 HD3 LYS 59 HD3 LYS 59 -12.292 -28.000 5.485 480 HE2 LYS 59 HE2 LYS 59 -13.198 -30.212 6.179 481 HE3 LYS 59 HE3 LYS 59 -12.731 -29.875 7.853 482 HZ1 LYS 59 HZ3 LYS 59 -14.243 -27.939 7.810 483 HZ2 LYS 59 HZ1 LYS 59 -14.744 -28.319 6.323 484 HZ3 LYS 59 HZ2 LYS 59 -15.044 -29.342 7.578 485 H ALA 60 H ALA 60 -8.419 -30.387 9.991 486 HA ALA 60 HA ALA 60 -9.698 -28.943 12.296 487 HB1 ALA 60 HB3 ALA 60 -10.855 -31.058 11.798 488 HB2 ALA 60 HB1 ALA 60 -9.312 -31.942 11.889 489 HB3 ALA 60 HB2 ALA 60 -9.984 -31.165 13.342 490 H LEU 61 H LEU 61 -6.734 -30.190 10.957 491 HA LEU 61 HA LEU 61 -5.473 -30.323 13.601 492 HB2 LEU 61 HB2 LEU 61 -5.097 -31.979 11.484 493 HB3 LEU 61 HB3 LEU 61 -3.761 -30.869 11.229 494 HG LEU 61 HG LEU 61 -3.293 -31.163 13.800 495 HD11 LEU 61 HD11 LEU 61 -4.911 -33.691 13.250 496 HD12 LEU 61 HD12 LEU 61 -4.007 -33.319 14.732 497 HD13 LEU 61 HD13 LEU 61 -5.440 -32.371 14.307 498 HD21 LEU 61 HD23 LEU 61 -2.817 -33.463 11.880 499 HD22 LEU 61 HD21 LEU 61 -1.782 -32.042 12.136 500 HD23 LEU 61 HD22 LEU 61 -1.984 -33.226 13.433 501 H GLY 62 H GLY 62 -6.155 -28.051 13.657 502 HA2 GLY 62 HA2 GLY 62 -3.680 -26.394 13.219 503 HA3 GLY 62 HA3 GLY 62 -5.306 -25.708 13.309 504 HA PRO 63 HA PRO 63 -4.352 -26.693 17.901 505 HB2 PRO 63 HB2 PRO 63 -2.716 -28.649 18.757 506 HB3 PRO 63 HB3 PRO 63 -4.288 -29.063 18.019 507 HG2 PRO 63 HG2 PRO 63 -1.573 -28.980 16.640 508 HG3 PRO 63 HG3 PRO 63 -2.758 -30.326 16.655 509 HD2 PRO 63 HD2 PRO 63 -2.648 -28.451 14.647 510 HD3 PRO 63 HD3 PRO 63 -4.173 -29.239 15.179 511 H ALA 64 H ALA 64 -3.097 -24.923 16.302 512 HA ALA 64 HA ALA 64 -1.444 -23.530 15.779 513 HB1 ALA 64 HB3 ALA 64 -2.056 -22.868 18.070 514 HB2 ALA 64 HB1 ALA 64 -0.747 -23.891 18.710 515 HB3 ALA 64 HB2 ALA 64 -0.361 -22.488 17.695 516 H ALA 65 H ALA 65 -0.068 -26.566 16.817 517 HA ALA 65 HA ALA 65 2.610 -25.653 15.813 518 HB1 ALA 65 HB3 ALA 65 2.439 -25.920 18.243 519 HB2 ALA 65 HB1 ALA 65 1.893 -27.601 18.042 520 HB3 ALA 65 HB2 ALA 65 3.533 -27.125 17.540 521 H THR 66 H THR 66 0.696 -28.794 16.076 522 HA THR 66 HA THR 66 2.504 -30.225 14.489 523 HB THR 66 HB THR 66 -0.469 -30.745 14.287 524 HG1 THR 66 HG1 THR 66 0.924 -31.918 16.326 525 HG21 THR 66 HG23 THR 66 0.963 -32.299 13.041 526 HG22 THR 66 HG21 THR 66 2.018 -32.524 14.431 527 HG23 THR 66 HG22 THR 66 0.341 -33.131 14.471 528 H LEU 67 H LEU 67 0.427 -27.716 13.333 529 HA LEU 67 HA LEU 67 0.106 -28.402 10.605 530 HB2 LEU 67 HB2 LEU 67 -0.801 -26.534 11.856 531 HB3 LEU 67 HB3 LEU 67 0.744 -25.722 11.835 532 HG LEU 67 HG LEU 67 -1.306 -26.003 9.567 533 HD11 LEU 67 HD11 LEU 67 0.624 -23.856 10.549 534 HD12 LEU 67 HD12 LEU 67 -0.632 -23.632 9.312 535 HD13 LEU 67 HD13 LEU 67 -1.094 -23.957 11.005 536 HD21 LEU 67 HD23 LEU 67 1.612 -25.672 9.035 537 HD22 LEU 67 HD21 LEU 67 0.492 -26.972 8.485 538 HD23 LEU 67 HD22 LEU 67 0.289 -25.299 7.933 539 H GLU 68 H GLU 68 2.887 -26.840 12.240 540 HA GLU 68 HA GLU 68 4.567 -26.227 10.225 541 HB2 GLU 68 HB2 GLU 68 5.429 -27.872 12.651 542 HB3 GLU 68 HB3 GLU 68 6.474 -26.802 11.729 543 HG2 GLU 68 HG2 GLU 68 4.008 -25.637 13.016 544 HG3 GLU 68 HG3 GLU 68 5.303 -26.157 14.047 545 H GLU 69 H GLU 69 4.103 -29.618 11.298 546 HA GLU 69 HA GLU 69 5.932 -30.549 9.128 547 HB2 GLU 69 HB2 GLU 69 5.504 -32.772 9.788 548 HB3 GLU 69 HB3 GLU 69 5.810 -31.811 11.240 549 HG2 GLU 69 HG2 GLU 69 3.472 -31.799 11.814 550 HG3 GLU 69 HG3 GLU 69 3.021 -32.615 10.326 551 H MET 70 H MET 70 2.459 -30.277 9.755 552 HA MET 70 HA MET 70 1.530 -32.020 7.682 553 HB2 MET 70 HB2 MET 70 0.212 -29.776 9.077 554 HB3 MET 70 HB3 MET 70 -0.608 -31.047 8.127 555 HG2 MET 70 HG2 MET 70 1.098 -31.806 10.385 556 HG3 MET 70 HG3 MET 70 -0.460 -31.029 10.682 557 HE1 MET 70 HE3 MET 70 1.373 -33.999 8.739 558 HE2 MET 70 HE1 MET 70 1.325 -34.345 10.480 559 HE3 MET 70 HE2 MET 70 0.412 -35.360 9.347 560 H MET 71 H MET 71 2.449 -28.754 7.740 561 HA MET 71 HA MET 71 1.428 -27.327 5.612 562 HB2 MET 71 HB2 MET 71 3.067 -26.602 7.332 563 HB3 MET 71 HB3 MET 71 4.320 -27.570 6.588 564 HG2 MET 71 HG2 MET 71 4.684 -26.017 4.856 565 HG3 MET 71 HG3 MET 71 3.012 -25.513 4.836 566 HE1 MET 71 HE3 MET 71 5.215 -25.725 8.190 567 HE2 MET 71 HE1 MET 71 6.373 -25.327 6.907 568 HE3 MET 71 HE2 MET 71 5.957 -24.115 8.141 569 H THR 72 H THR 72 3.938 -29.779 5.551 570 HA THR 72 HA THR 72 3.705 -30.075 2.598 571 HB THR 72 HB THR 72 6.250 -30.681 3.937 572 HG1 THR 72 HG1 THR 72 6.948 -28.528 4.059 573 HG21 THR 72 HG23 THR 72 6.102 -30.868 1.508 574 HG22 THR 72 HG21 THR 72 5.507 -29.199 1.362 575 HG23 THR 72 HG22 THR 72 7.173 -29.509 1.880 576 H ALA 73 H ALA 73 3.883 -31.822 5.684 577 HA ALA 73 HA ALA 73 5.351 -34.069 4.890 578 HB1 ALA 73 HB3 ALA 73 4.751 -33.639 7.215 579 HB2 ALA 73 HB1 ALA 73 3.026 -33.890 6.858 580 HB3 ALA 73 HB2 ALA 73 4.174 -35.241 6.751 581 H CYS 74 H CYS 74 2.032 -33.329 4.205 582 HA CYS 74 HA CYS 74 1.296 -36.040 3.262 583 HB2 CYS 74 HB2 CYS 74 -0.053 -33.327 3.036 584 HB3 CYS 74 HB3 CYS 74 -0.771 -34.856 2.473 585 HG CYS 74 HG CYS 74 -1.379 -35.894 4.605 586 H GLN 75 H GLN 75 3.491 -33.968 1.873 587 HA GLN 75 HA GLN 75 2.867 -34.321 -0.934 588 HB2 GLN 75 HB2 GLN 75 5.128 -33.647 -1.329 589 HB3 GLN 75 HB3 GLN 75 4.514 -32.685 0.006 590 HG2 GLN 75 HG2 GLN 75 6.603 -33.224 0.824 591 HG3 GLN 75 HG3 GLN 75 5.649 -34.533 1.526 592 HE21 GLN 75 HE22 GLN 75 7.433 -33.967 -1.633 593 HE22 GLN 75 HE21 GLN 75 8.188 -35.558 -1.525 594 H GLY 76 H GLY 76 4.145 -36.444 1.554 595 HA2 GLY 76 HA2 GLY 76 5.199 -38.425 -0.356 596 HA3 GLY 76 HA3 GLY 76 5.295 -38.470 1.406 597 H VAL 77 H VAL 77 2.191 -37.889 -0.190 598 HA VAL 77 HA VAL 77 1.345 -40.648 0.214 599 HB VAL 77 HB VAL 77 1.164 -39.243 2.429 600 HG11 VAL 77 HG11 VAL 77 -1.531 -38.533 1.261 601 HG12 VAL 77 HG12 VAL 77 -0.918 -38.257 2.900 602 HG13 VAL 77 HG13 VAL 77 -0.191 -37.390 1.550 603 HG21 VAL 77 HG23 VAL 77 -1.094 -41.012 1.387 604 HG22 VAL 77 HG21 VAL 77 0.439 -41.577 2.100 605 HG23 VAL 77 HG22 VAL 77 -0.719 -40.679 3.091 606 H GLY 78 H GLY 78 0.515 -41.136 -1.557 607 HA2 GLY 78 HA2 GLY 78 -1.739 -39.646 -2.745 608 HA3 GLY 78 HA3 GLY 78 -0.301 -39.812 -3.756 609 H GLY 79 H GLY 79 -3.122 -40.866 -3.925 610 HA2 GLY 79 HA2 GLY 79 -2.895 -43.351 -5.166 611 HA3 GLY 79 HA3 GLY 79 -3.129 -43.680 -3.440 612 HA PRO 80 HA PRO 80 -7.420 -42.824 -5.117 613 HB2 PRO 80 HB2 PRO 80 -8.573 -45.228 -4.549 614 HB3 PRO 80 HB3 PRO 80 -7.656 -44.948 -6.063 615 HG2 PRO 80 HG2 PRO 80 -6.671 -46.243 -3.499 616 HG3 PRO 80 HG3 PRO 80 -6.494 -46.843 -5.179 617 HD2 PRO 80 HD2 PRO 80 -4.529 -45.438 -3.874 618 HD3 PRO 80 HD3 PRO 80 -4.776 -45.305 -5.641 619 H GLY 81 H GLY 81 -9.244 -42.474 -3.714 620 HA2 GLY 81 HA2 GLY 81 -9.383 -43.450 -1.022 621 HA3 GLY 81 HA3 GLY 81 -8.916 -41.751 -1.019 622 H HIS 82 H HIS 82 -11.036 -41.892 0.203 623 HA HIS 82 HA HIS 82 -13.395 -41.447 -1.566 624 HB2 HIS 82 HB2 HIS 82 -14.691 -42.872 0.075 625 HB3 HIS 82 HB3 HIS 82 -13.509 -43.739 -0.888 626 HD2 HIS 82 HD2 HIS 82 -12.652 -41.815 2.404 627 HE1 HIS 82 HE1 HIS 82 -11.751 -45.943 2.981 628 HE2 HIS 82 HE2 HIS 82 -11.606 -43.615 4.017 629 H LYS 83 H LYS 83 -15.318 -40.720 0.027 630 HA LYS 83 HA LYS 83 -14.302 -38.948 2.173 631 HB2 LYS 83 HB2 LYS 83 -15.242 -37.095 1.318 632 HB3 LYS 83 HB3 LYS 83 -14.865 -37.953 -0.182 633 HG2 LYS 83 HG2 LYS 83 -17.595 -37.977 1.139 634 HG3 LYS 83 HG3 LYS 83 -17.115 -36.776 -0.034 635 HD2 LYS 83 HD2 LYS 83 -17.210 -39.770 -0.585 636 HD3 LYS 83 HD3 LYS 83 -18.512 -38.651 -0.958 637 HE2 LYS 83 HE2 LYS 83 -15.686 -38.475 -2.103 638 HE3 LYS 83 HE3 LYS 83 -17.063 -39.210 -2.926 639 HZ1 LYS 83 HZ3 LYS 83 -18.169 -37.066 -2.930 640 HZ2 LYS 83 HZ1 LYS 83 -16.944 -36.363 -2.091 641 HZ3 LYS 83 HZ2 LYS 83 -16.691 -36.899 -3.619 642 H ALA 84 H ALA 84 -15.970 -38.205 3.673 643 HA ALA 84 HA ALA 84 -17.475 -40.478 4.690 644 HB1 ALA 84 HB3 ALA 84 -15.988 -39.009 6.065 645 HB2 ALA 84 HB1 ALA 84 -17.082 -37.646 5.756 646 HB3 ALA 84 HB2 ALA 84 -17.635 -39.051 6.691 647 H ARG 85 H ARG 85 -19.500 -39.442 6.029 648 HA ARG 85 HA ARG 85 -21.270 -37.713 4.438 649 HB2 ARG 85 HB2 ARG 85 -22.163 -40.499 5.326 650 HB3 ARG 85 HB3 ARG 85 -23.232 -39.225 4.724 651 HG2 ARG 85 HG2 ARG 85 -21.900 -39.201 2.575 652 HG3 ARG 85 HG3 ARG 85 -21.083 -40.669 3.136 653 HD2 ARG 85 HD2 ARG 85 -24.083 -40.311 2.726 654 HD3 ARG 85 HD3 ARG 85 -23.005 -41.144 1.616 655 HE ARG 85 HE ARG 85 -24.100 -42.134 4.141 656 HH11 ARG 85 HH11 ARG 85 -21.529 -42.699 1.827 657 HH12 ARG 85 HH12 ARG 85 -21.409 -44.390 2.228 658 HH21 ARG 85 HH21 ARG 85 -23.839 -44.293 4.651 659 HH22 ARG 85 HH22 ARG 85 -22.622 -45.232 3.846 660 H VAL 86 H VAL 86 -19.713 -37.576 6.884 661 HA VAL 86 HA VAL 86 -21.695 -36.511 8.777 662 HB VAL 86 HB VAL 86 -20.657 -37.655 10.724 663 HG11 VAL 86 HG11 VAL 86 -21.784 -39.689 8.771 664 HG12 VAL 86 HG12 VAL 86 -21.769 -39.766 10.544 665 HG13 VAL 86 HG13 VAL 86 -22.746 -38.538 9.724 666 HG21 VAL 86 HG23 VAL 86 -19.295 -39.487 8.694 667 HG22 VAL 86 HG21 VAL 86 -18.469 -38.279 9.707 668 HG23 VAL 86 HG22 VAL 86 -19.286 -39.649 10.461 669 H LEU 87 H LEU 87 -19.193 -35.887 6.954 670 HA LEU 87 HA LEU 87 -17.888 -33.852 8.472 671 HB2 LEU 87 HB2 LEU 87 -16.799 -36.224 9.068 672 HB3 LEU 87 HB3 LEU 87 -16.155 -36.144 7.439 673 HG LEU 87 HG LEU 87 -14.489 -35.497 9.023 674 HD11 LEU 87 HD11 LEU 87 -15.418 -32.908 7.744 675 HD12 LEU 87 HD12 LEU 87 -13.761 -33.340 8.246 676 HD13 LEU 87 HD13 LEU 87 -14.543 -34.187 6.891 677 HD21 LEU 87 HD23 LEU 87 -16.346 -33.292 9.984 678 HD22 LEU 87 HD21 LEU 87 -16.002 -34.797 10.852 679 HD23 LEU 87 HD22 LEU 87 -14.699 -33.625 10.560 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -3.000 -5.281 -11.444 2 H2 MET 1 H2 MET 1 -1.919 -4.143 -11.900 3 H3 MET 1 H3 MET 1 -3.518 -3.968 -12.301 4 HA MET 1 HA MET 1 -2.861 -2.524 -10.423 5 HB2 MET 1 HB2 MET 1 -4.868 -4.754 -9.851 6 HB3 MET 1 HB3 MET 1 -4.642 -3.341 -8.817 7 HG2 MET 1 HG2 MET 1 -6.550 -3.005 -10.249 8 HG3 MET 1 HG3 MET 1 -5.289 -1.837 -10.636 9 HE1 MET 1 HE3 MET 1 -7.953 -2.596 -12.379 10 HE2 MET 1 HE1 MET 1 -6.830 -1.284 -12.813 11 HE3 MET 1 HE2 MET 1 -7.276 -2.513 -14.018 12 H SER 2 H SER 2 -2.081 -2.442 -8.178 13 HA SER 2 HA SER 2 -0.069 -4.324 -7.506 14 HB2 SER 2 HB2 SER 2 -1.563 -2.458 -5.631 15 HB3 SER 2 HB3 SER 2 0.052 -3.162 -5.405 16 HG SER 2 HG SER 2 0.347 -1.139 -6.197 17 HA PRO 3 HA PRO 3 -2.802 -7.188 -5.136 18 HB2 PRO 3 HB2 PRO 3 -1.136 -9.291 -4.927 19 HB3 PRO 3 HB3 PRO 3 -1.784 -8.840 -6.536 20 HG2 PRO 3 HG2 PRO 3 0.920 -8.113 -5.343 21 HG3 PRO 3 HG3 PRO 3 0.579 -8.808 -6.959 22 HD2 PRO 3 HD2 PRO 3 0.892 -6.093 -6.453 23 HD3 PRO 3 HD3 PRO 3 -0.092 -6.738 -7.803 24 H THR 4 H THR 4 -2.336 -8.351 -2.927 25 HA THR 4 HA THR 4 -0.480 -6.805 -1.196 26 HB THR 4 HB THR 4 -1.577 -8.175 0.620 27 HG1 THR 4 HG1 THR 4 -3.490 -9.158 0.108 28 HG21 THR 4 HG23 THR 4 -2.320 -5.865 0.050 29 HG22 THR 4 HG21 THR 4 -3.508 -6.537 -1.085 30 HG23 THR 4 HG22 THR 4 -3.631 -6.872 0.663 31 H SER 5 H SER 5 0.802 -8.044 0.334 32 HA SER 5 HA SER 5 2.373 -10.213 -0.925 33 HB2 SER 5 HB2 SER 5 3.215 -8.801 1.576 34 HB3 SER 5 HB3 SER 5 4.183 -9.337 0.197 35 HG SER 5 HG SER 5 2.547 -7.063 0.540 36 H ILE 6 H ILE 6 3.638 -11.445 1.194 37 HA ILE 6 HA ILE 6 1.515 -12.819 2.707 38 HB ILE 6 HB ILE 6 3.080 -14.364 2.497 39 HG12 ILE 6 HG12 ILE 6 4.416 -14.755 4.447 40 HG13 ILE 6 HG13 ILE 6 4.384 -13.081 4.929 41 HG21 ILE 6 HG21 ILE 6 5.397 -12.406 2.655 42 HG22 ILE 6 HG22 ILE 6 5.504 -14.160 2.408 43 HG23 ILE 6 HG23 ILE 6 4.736 -13.178 1.178 44 HD11 ILE 6 HD13 ILE 6 2.214 -13.233 5.806 45 HD12 ILE 6 HD11 ILE 6 1.734 -14.527 4.693 46 HD13 ILE 6 HD12 ILE 6 2.791 -14.858 6.093 47 H LEU 7 H LEU 7 4.203 -10.609 3.630 48 HA LEU 7 HA LEU 7 3.442 -10.232 6.278 49 HB2 LEU 7 HB2 LEU 7 4.968 -8.379 6.280 50 HB3 LEU 7 HB3 LEU 7 5.621 -9.672 5.297 51 HG LEU 7 HG LEU 7 4.109 -7.961 3.517 52 HD11 LEU 7 HD11 LEU 7 6.057 -6.408 5.268 53 HD12 LEU 7 HD12 LEU 7 5.240 -5.814 3.797 54 HD13 LEU 7 HD13 LEU 7 4.290 -6.202 5.237 55 HD21 LEU 7 HD23 LEU 7 7.114 -8.217 3.906 56 HD22 LEU 7 HD21 LEU 7 6.100 -9.293 2.915 57 HD23 LEU 7 HD22 LEU 7 6.273 -7.593 2.465 58 H ASP 8 H ASP 8 1.329 -9.444 3.977 59 HA ASP 8 HA ASP 8 0.271 -6.846 4.906 60 HB2 ASP 8 HB2 ASP 8 0.001 -8.836 2.634 61 HB3 ASP 8 HB3 ASP 8 -1.393 -7.941 3.065 62 H ILE 9 H ILE 9 -0.058 -10.318 5.318 63 HA ILE 9 HA ILE 9 -2.728 -10.029 6.612 64 HB ILE 9 HB ILE 9 -3.420 -12.097 5.515 65 HG12 ILE 9 HG12 ILE 9 -1.167 -11.535 3.525 66 HG13 ILE 9 HG13 ILE 9 -1.133 -12.844 4.709 67 HG21 ILE 9 HG21 ILE 9 -2.930 -9.759 3.641 68 HG22 ILE 9 HG22 ILE 9 -4.268 -10.922 3.582 69 HG23 ILE 9 HG23 ILE 9 -4.156 -9.772 4.914 70 HD11 ILE 9 HD13 ILE 9 -3.325 -13.652 3.748 71 HD12 ILE 9 HD11 ILE 9 -3.084 -12.489 2.426 72 HD13 ILE 9 HD12 ILE 9 -1.907 -13.799 2.674 73 H ARG 10 H ARG 10 -3.103 -11.004 8.277 74 HA ARG 10 HA ARG 10 -1.621 -11.477 10.317 75 HB2 ARG 10 HB2 ARG 10 -3.701 -12.602 11.333 76 HB3 ARG 10 HB3 ARG 10 -3.839 -11.045 10.569 77 HG2 ARG 10 HG2 ARG 10 -5.733 -12.409 10.007 78 HG3 ARG 10 HG3 ARG 10 -4.850 -11.976 8.584 79 HD2 ARG 10 HD2 ARG 10 -5.194 -14.141 8.030 80 HD3 ARG 10 HD3 ARG 10 -3.689 -14.370 8.903 81 HE ARG 10 HE ARG 10 -4.869 -15.844 10.183 82 HH11 ARG 10 HH11 ARG 10 -7.394 -13.405 9.605 83 HH12 ARG 10 HH12 ARG 10 -8.543 -14.513 10.338 84 HH21 ARG 10 HH21 ARG 10 -6.439 -17.045 10.961 85 HH22 ARG 10 HH22 ARG 10 -8.003 -16.413 11.187 86 H GLN 11 H GLN 11 -0.395 -13.578 8.449 87 HA GLN 11 HA GLN 11 0.447 -15.749 8.580 88 HB2 GLN 11 HB2 GLN 11 2.255 -15.674 10.077 89 HB3 GLN 11 HB3 GLN 11 2.021 -14.118 9.257 90 HG2 GLN 11 HG2 GLN 11 0.995 -13.164 11.281 91 HG3 GLN 11 HG3 GLN 11 1.084 -14.712 12.104 92 HE21 GLN 11 HE22 GLN 11 3.596 -15.617 12.054 93 HE22 GLN 11 HE21 GLN 11 4.733 -14.339 12.513 94 H GLY 12 H GLY 12 -1.881 -16.121 9.447 95 HA2 GLY 12 HA2 GLY 12 -1.885 -18.123 11.664 96 HA3 GLY 12 HA3 GLY 12 -2.931 -16.676 11.743 97 HA PRO 13 HA PRO 13 -4.711 -19.279 8.097 98 HB2 PRO 13 HB2 PRO 13 -3.582 -21.677 7.451 99 HB3 PRO 13 HB3 PRO 13 -2.884 -20.142 6.908 100 HG2 PRO 13 HG2 PRO 13 -2.110 -21.712 9.395 101 HG3 PRO 13 HG3 PRO 13 -1.029 -21.202 8.063 102 HD2 PRO 13 HD2 PRO 13 -1.282 -19.728 10.291 103 HD3 PRO 13 HD3 PRO 13 -1.250 -18.879 8.712 104 H LYS 14 H LYS 14 -4.378 -19.987 11.245 105 HA LYS 14 HA LYS 14 -4.957 -22.657 11.807 106 HB2 LYS 14 HB2 LYS 14 -6.216 -20.364 13.342 107 HB3 LYS 14 HB3 LYS 14 -5.835 -21.973 13.936 108 HG2 LYS 14 HG2 LYS 14 -3.433 -21.477 13.858 109 HG3 LYS 14 HG3 LYS 14 -3.754 -19.893 13.110 110 HD2 LYS 14 HD2 LYS 14 -5.125 -19.227 15.055 111 HD3 LYS 14 HD3 LYS 14 -4.792 -20.785 15.835 112 HE2 LYS 14 HE2 LYS 14 -2.409 -20.270 15.955 113 HE3 LYS 14 HE3 LYS 14 -2.646 -18.772 15.033 114 HZ1 LYS 14 HZ3 LYS 14 -4.096 -17.995 16.834 115 HZ2 LYS 14 HZ1 LYS 14 -3.813 -19.357 17.693 116 HZ3 LYS 14 HZ2 LYS 14 -2.584 -18.289 17.404 117 H GLU 15 H GLU 15 -7.565 -20.197 11.592 118 HA GLU 15 HA GLU 15 -9.553 -22.289 11.558 119 HB2 GLU 15 HB2 GLU 15 -10.517 -19.613 10.739 120 HB3 GLU 15 HB3 GLU 15 -11.165 -20.794 11.843 121 HG2 GLU 15 HG2 GLU 15 -10.677 -18.979 13.208 122 HG3 GLU 15 HG3 GLU 15 -9.317 -20.064 13.501 123 HA PRO 16 HA PRO 16 -10.311 -21.143 7.048 124 HB2 PRO 16 HB2 PRO 16 -8.773 -19.361 5.627 125 HB3 PRO 16 HB3 PRO 16 -9.961 -18.839 6.864 126 HG2 PRO 16 HG2 PRO 16 -6.968 -19.295 7.187 127 HG3 PRO 16 HG3 PRO 16 -7.909 -17.822 7.605 128 HD2 PRO 16 HD2 PRO 16 -7.341 -19.669 9.463 129 HD3 PRO 16 HD3 PRO 16 -8.931 -18.873 9.429 130 H PHE 17 H PHE 17 -7.119 -22.169 7.765 131 HA PHE 17 HA PHE 17 -5.298 -22.488 6.430 132 HB2 PHE 17 HB2 PHE 17 -6.496 -24.630 7.503 133 HB3 PHE 17 HB3 PHE 17 -6.393 -25.182 5.854 134 HD1 PHE 17 HD1 PHE 17 -4.344 -23.603 8.579 135 HD2 PHE 17 HD2 PHE 17 -4.324 -26.417 5.308 136 HE1 PHE 17 HE1 PHE 17 -1.917 -24.079 8.987 137 HE2 PHE 17 HE2 PHE 17 -1.910 -26.906 5.801 138 HZ PHE 17 HZ PHE 17 -0.730 -25.643 7.559 139 H ARG 18 H ARG 18 -7.754 -23.998 4.308 140 HA ARG 18 HA ARG 18 -6.342 -23.806 1.838 141 HB2 ARG 18 HB2 ARG 18 -8.482 -24.242 0.817 142 HB3 ARG 18 HB3 ARG 18 -8.165 -25.248 2.224 143 HG2 ARG 18 HG2 ARG 18 -10.366 -24.830 2.576 144 HG3 ARG 18 HG3 ARG 18 -9.635 -23.592 3.562 145 HD2 ARG 18 HD2 ARG 18 -11.277 -22.429 2.475 146 HD3 ARG 18 HD3 ARG 18 -9.906 -22.063 1.426 147 HE ARG 18 HE ARG 18 -11.356 -24.437 0.575 148 HH11 ARG 18 HH11 ARG 18 -11.857 -20.955 0.440 149 HH12 ARG 18 HH12 ARG 18 -12.493 -21.034 -1.164 150 HH21 ARG 18 HH21 ARG 18 -12.282 -24.431 -1.471 151 HH22 ARG 18 HH22 ARG 18 -12.823 -22.929 -2.140 152 H ASP 19 H ASP 19 -8.580 -21.496 3.321 153 HA ASP 19 HA ASP 19 -8.454 -19.695 1.026 154 HB2 ASP 19 HB2 ASP 19 -9.974 -19.807 3.591 155 HB3 ASP 19 HB3 ASP 19 -9.687 -18.183 2.974 156 H TYR 20 H TYR 20 -6.240 -20.214 3.178 157 HA TYR 20 HA TYR 20 -5.079 -17.430 2.964 158 HB2 TYR 20 HB2 TYR 20 -5.835 -17.943 5.251 159 HB3 TYR 20 HB3 TYR 20 -4.747 -19.323 5.303 160 HD1 TYR 20 HD2 TYR 20 -2.296 -18.954 5.152 161 HD2 TYR 20 HD1 TYR 20 -5.018 -15.669 5.629 162 HE1 TYR 20 HE2 TYR 20 -0.394 -17.490 5.789 163 HE2 TYR 20 HE1 TYR 20 -3.112 -14.196 6.277 164 HH TYR 20 HH TYR 20 -0.691 -14.004 6.357 165 H VAL 21 H VAL 21 -4.285 -20.935 3.070 166 HA VAL 21 HA VAL 21 -1.545 -20.686 2.329 167 HB VAL 21 HB VAL 21 -2.551 -22.725 3.261 168 HG11 VAL 21 HG11 VAL 21 -3.715 -23.397 0.538 169 HG12 VAL 21 HG12 VAL 21 -3.913 -24.234 2.107 170 HG13 VAL 21 HG13 VAL 21 -4.636 -22.645 1.825 171 HG21 VAL 21 HG23 VAL 21 -1.418 -23.320 0.509 172 HG22 VAL 21 HG21 VAL 21 -0.427 -22.858 1.884 173 HG23 VAL 21 HG22 VAL 21 -1.409 -24.325 1.987 174 H ASP 22 H ASP 22 -4.449 -20.945 0.233 175 HA ASP 22 HA ASP 22 -3.003 -21.044 -2.205 176 HB2 ASP 22 HB2 ASP 22 -5.752 -20.568 -1.283 177 HB3 ASP 22 HB3 ASP 22 -5.334 -19.595 -2.662 178 H ARG 23 H ARG 23 -4.030 -18.373 -0.256 179 HA ARG 23 HA ARG 23 -3.150 -16.297 -2.085 180 HB2 ARG 23 HB2 ARG 23 -3.478 -15.647 0.837 181 HB3 ARG 23 HB3 ARG 23 -4.007 -14.771 -0.580 182 HG2 ARG 23 HG2 ARG 23 -5.238 -17.255 0.690 183 HG3 ARG 23 HG3 ARG 23 -5.787 -15.595 0.831 184 HD2 ARG 23 HD2 ARG 23 -5.778 -15.921 -1.905 185 HD3 ARG 23 HD3 ARG 23 -6.166 -17.569 -1.374 186 HE ARG 23 HE ARG 23 -7.504 -15.223 -0.185 187 HH11 ARG 23 HH11 ARG 23 -8.060 -18.369 -1.766 188 HH12 ARG 23 HH12 ARG 23 -9.584 -18.499 -0.877 189 HH21 ARG 23 HH21 ARG 23 -9.543 -15.588 0.660 190 HH22 ARG 23 HH22 ARG 23 -10.338 -17.101 0.264 191 H PHE 24 H PHE 24 -1.640 -17.921 0.656 192 HA PHE 24 HA PHE 24 0.656 -16.170 0.770 193 HB2 PHE 24 HB2 PHE 24 -0.113 -17.584 2.662 194 HB3 PHE 24 HB3 PHE 24 0.368 -19.019 1.774 195 HD1 PHE 24 HD1 PHE 24 3.028 -18.808 0.861 196 HD2 PHE 24 HD2 PHE 24 1.391 -17.029 4.432 197 HE1 PHE 24 HE1 PHE 24 5.267 -18.449 1.725 198 HE2 PHE 24 HE2 PHE 24 3.706 -16.873 5.348 199 HZ PHE 24 HZ PHE 24 5.687 -17.424 3.826 200 H TYR 25 H TYR 25 0.364 -19.544 -0.705 201 HA TYR 25 HA TYR 25 3.091 -19.394 -1.684 202 HB2 TYR 25 HB2 TYR 25 0.736 -21.074 -2.262 203 HB3 TYR 25 HB3 TYR 25 2.080 -21.128 -3.381 204 HD1 TYR 25 HD1 TYR 25 2.885 -20.844 0.295 205 HD2 TYR 25 HD2 TYR 25 2.322 -23.490 -3.071 206 HE1 TYR 25 HE1 TYR 25 4.132 -22.586 1.474 207 HE2 TYR 25 HE2 TYR 25 3.523 -25.298 -1.800 208 HH TYR 25 HH TYR 25 4.458 -24.892 1.577 209 H LYS 26 H LYS 26 -0.001 -18.435 -3.175 210 HA LYS 26 HA LYS 26 0.895 -17.369 -5.630 211 HB2 LYS 26 HB2 LYS 26 -1.409 -17.607 -5.264 212 HB3 LYS 26 HB3 LYS 26 -1.343 -16.803 -3.701 213 HG2 LYS 26 HG2 LYS 26 -0.875 -15.162 -6.170 214 HG3 LYS 26 HG3 LYS 26 -2.502 -15.605 -5.672 215 HD2 LYS 26 HD2 LYS 26 -2.435 -14.469 -3.657 216 HD3 LYS 26 HD3 LYS 26 -0.691 -14.503 -3.524 217 HE2 LYS 26 HE2 LYS 26 -1.986 -12.936 -5.768 218 HE3 LYS 26 HE3 LYS 26 -1.966 -12.259 -4.128 219 HZ1 LYS 26 HZ3 LYS 26 0.352 -12.288 -4.082 220 HZ2 LYS 26 HZ1 LYS 26 0.505 -13.260 -5.395 221 HZ3 LYS 26 HZ2 LYS 26 0.021 -11.679 -5.565 222 H THR 27 H THR 27 1.628 -16.048 -2.435 223 HA THR 27 HA THR 27 2.629 -13.531 -3.734 224 HB THR 27 HB THR 27 3.150 -12.799 -1.355 225 HG1 THR 27 HG1 THR 27 1.578 -13.693 0.143 226 HG21 THR 27 HG23 THR 27 1.331 -11.869 -2.669 227 HG22 THR 27 HG21 THR 27 0.248 -13.207 -2.159 228 HG23 THR 27 HG22 THR 27 0.811 -12.048 -0.992 229 H LEU 28 H LEU 28 3.667 -15.897 -1.369 230 HA LEU 28 HA LEU 28 6.348 -15.510 -1.183 231 HB2 LEU 28 HB2 LEU 28 5.636 -17.195 0.104 232 HB3 LEU 28 HB3 LEU 28 4.681 -17.940 -1.213 233 HG LEU 28 HG LEU 28 7.640 -18.172 -1.499 234 HD11 LEU 28 HD11 LEU 28 6.144 -19.964 0.424 235 HD12 LEU 28 HD12 LEU 28 7.832 -20.102 -0.100 236 HD13 LEU 28 HD13 LEU 28 7.353 -18.714 0.876 237 HD21 LEU 28 HD23 LEU 28 5.390 -20.213 -1.818 238 HD22 LEU 28 HD21 LEU 28 6.004 -19.226 -3.143 239 HD23 LEU 28 HD22 LEU 28 7.071 -20.383 -2.356 240 H ARG 29 H ARG 29 4.980 -17.169 -3.890 241 HA ARG 29 HA ARG 29 6.969 -18.273 -5.299 242 HB2 ARG 29 HB2 ARG 29 5.617 -18.116 -7.312 243 HB3 ARG 29 HB3 ARG 29 4.724 -18.552 -5.885 244 HG2 ARG 29 HG2 ARG 29 3.417 -17.101 -7.271 245 HG3 ARG 29 HG3 ARG 29 3.735 -16.310 -5.739 246 HD2 ARG 29 HD2 ARG 29 5.521 -15.710 -8.112 247 HD3 ARG 29 HD3 ARG 29 3.886 -15.027 -8.047 248 HE ARG 29 HE ARG 29 5.209 -14.571 -5.541 249 HH11 ARG 29 HH11 ARG 29 5.170 -13.247 -8.751 250 HH12 ARG 29 HH12 ARG 29 5.530 -11.634 -8.170 251 HH21 ARG 29 HH21 ARG 29 5.850 -12.604 -4.879 252 HH22 ARG 29 HH22 ARG 29 5.876 -11.283 -5.976 253 H ALA 30 H ALA 30 7.722 -15.201 -4.715 254 HA ALA 30 HA ALA 30 9.781 -15.347 -6.808 255 HB1 ALA 30 HB3 ALA 30 8.088 -13.827 -7.803 256 HB2 ALA 30 HB1 ALA 30 8.235 -12.769 -6.366 257 HB3 ALA 30 HB2 ALA 30 9.622 -13.011 -7.442 258 H GLU 31 H GLU 31 8.539 -13.816 -3.810 259 HA GLU 31 HA GLU 31 11.120 -12.668 -3.089 260 HB2 GLU 31 HB2 GLU 31 9.946 -12.088 -0.984 261 HB3 GLU 31 HB3 GLU 31 9.185 -11.458 -2.426 262 HG2 GLU 31 HG2 GLU 31 8.133 -14.053 -1.303 263 HG3 GLU 31 HG3 GLU 31 7.814 -12.570 -0.416 264 H GLN 32 H GLN 32 9.619 -15.718 -2.564 265 HA GLN 32 HA GLN 32 12.018 -16.836 -1.362 266 HB2 GLN 32 HB2 GLN 32 10.542 -17.794 0.612 267 HB3 GLN 32 HB3 GLN 32 11.362 -16.254 0.708 268 HG2 GLN 32 HG2 GLN 32 9.296 -15.029 0.247 269 HG3 GLN 32 HG3 GLN 32 8.407 -16.552 0.076 270 HE21 GLN 32 HE22 GLN 32 10.326 -14.532 2.413 271 HE22 GLN 32 HE21 GLN 32 9.555 -15.221 3.827 272 H ALA 33 H ALA 33 10.858 -17.145 -3.768 273 HA ALA 33 HA ALA 33 8.840 -18.784 -4.367 274 HB1 ALA 33 HB3 ALA 33 10.255 -17.340 -5.859 275 HB2 ALA 33 HB1 ALA 33 11.462 -18.635 -5.904 276 HB3 ALA 33 HB2 ALA 33 9.842 -18.903 -6.578 277 H SER 34 H SER 34 11.070 -20.370 -2.549 278 HA SER 34 HA SER 34 11.312 -22.843 -4.128 279 HB2 SER 34 HB2 SER 34 13.029 -21.863 -2.439 280 HB3 SER 34 HB3 SER 34 12.028 -22.616 -1.200 281 HG SER 34 HG SER 34 12.311 -24.600 -2.701 282 H GLN 35 H GLN 35 8.837 -22.796 -4.339 283 HA GLN 35 HA GLN 35 7.099 -23.754 -2.288 284 HB2 GLN 35 HB2 GLN 35 6.349 -22.936 -4.506 285 HB3 GLN 35 HB3 GLN 35 7.048 -24.355 -5.288 286 HG2 GLN 35 HG2 GLN 35 5.349 -25.191 -3.074 287 HG3 GLN 35 HG3 GLN 35 4.462 -24.049 -4.094 288 HE21 GLN 35 HE22 GLN 35 6.731 -26.822 -4.774 289 HE22 GLN 35 HE21 GLN 35 5.488 -27.628 -5.770 290 H GLU 36 H GLU 36 7.965 -25.352 -0.955 291 HA GLU 36 HA GLU 36 8.448 -28.079 -1.967 292 HB2 GLU 36 HB2 GLU 36 10.440 -26.308 -2.461 293 HB3 GLU 36 HB3 GLU 36 10.783 -26.567 -0.765 294 HG2 GLU 36 HG2 GLU 36 11.023 -28.981 -1.193 295 HG3 GLU 36 HG3 GLU 36 10.588 -28.725 -2.897 296 H VAL 37 H VAL 37 9.313 -29.489 -0.149 297 HA VAL 37 HA VAL 37 8.186 -28.902 2.430 298 HB VAL 37 HB VAL 37 9.081 -31.138 1.318 299 HG11 VAL 37 HG11 VAL 37 11.276 -30.592 3.333 300 HG12 VAL 37 HG12 VAL 37 10.991 -32.083 2.425 301 HG13 VAL 37 HG13 VAL 37 11.476 -30.616 1.558 302 HG21 VAL 37 HG23 VAL 37 8.866 -30.658 4.328 303 HG22 VAL 37 HG21 VAL 37 7.523 -31.019 3.235 304 HG23 VAL 37 HG22 VAL 37 8.759 -32.241 3.531 305 H LYS 38 H LYS 38 11.116 -27.876 0.977 306 HA LYS 38 HA LYS 38 12.481 -26.829 3.311 307 HB2 LYS 38 HB2 LYS 38 12.490 -25.820 0.434 308 HB3 LYS 38 HB3 LYS 38 13.387 -25.053 1.733 309 HG2 LYS 38 HG2 LYS 38 14.442 -27.365 2.186 310 HG3 LYS 38 HG3 LYS 38 13.856 -27.805 0.584 311 HD2 LYS 38 HD2 LYS 38 15.728 -25.513 1.333 312 HD3 LYS 38 HD3 LYS 38 16.204 -26.991 0.512 313 HE2 LYS 38 HE2 LYS 38 14.184 -25.054 -0.691 314 HE3 LYS 38 HE3 LYS 38 15.917 -24.793 -0.875 315 HZ1 LYS 38 HZ3 LYS 38 16.091 -26.754 -2.185 316 HZ2 LYS 38 HZ1 LYS 38 14.646 -27.358 -1.650 317 HZ3 LYS 38 HZ2 LYS 38 14.592 -26.160 -2.630 318 H ASN 39 H ASN 39 9.394 -26.053 2.345 319 HA ASN 39 HA ASN 39 8.780 -23.474 2.984 320 HB2 ASN 39 HB2 ASN 39 6.905 -24.737 2.604 321 HB3 ASN 39 HB3 ASN 39 7.609 -26.184 3.296 322 HD21 ASN 39 HD22 ASN 39 5.059 -24.091 3.789 323 HD22 ASN 39 HD21 ASN 39 4.924 -24.531 5.514 324 H ALA 40 H ALA 40 9.754 -25.926 5.407 325 HA ALA 40 HA ALA 40 9.579 -24.256 7.692 326 HB1 ALA 40 HB3 ALA 40 9.448 -26.721 7.673 327 HB2 ALA 40 HB1 ALA 40 11.162 -26.819 7.198 328 HB3 ALA 40 HB2 ALA 40 10.704 -26.152 8.783 329 H MET 41 H MET 41 11.069 -22.800 5.773 330 HA MET 41 HA MET 41 13.536 -22.162 7.310 331 HB2 MET 41 HB2 MET 41 13.441 -22.370 4.270 332 HB3 MET 41 HB3 MET 41 14.823 -21.861 5.253 333 HG2 MET 41 HG2 MET 41 14.768 -24.100 6.387 334 HG3 MET 41 HG3 MET 41 13.524 -24.607 5.257 335 HE1 MET 41 HE3 MET 41 16.058 -26.316 5.741 336 HE2 MET 41 HE1 MET 41 14.735 -26.702 4.618 337 HE3 MET 41 HE2 MET 41 16.427 -26.794 4.068 338 H THR 42 H THR 42 10.750 -21.045 5.587 339 HA THR 42 HA THR 42 11.389 -18.238 6.301 340 HB THR 42 HB THR 42 9.531 -17.979 4.250 341 HG1 THR 42 HG1 THR 42 10.139 -19.199 2.585 342 HG21 THR 42 HG23 THR 42 11.635 -16.678 4.568 343 HG22 THR 42 HG21 THR 42 12.590 -18.114 4.111 344 HG23 THR 42 HG22 THR 42 11.567 -17.296 2.902 345 H GLU 43 H GLU 43 9.168 -16.959 6.259 346 HA GLU 43 HA GLU 43 7.503 -17.978 8.329 347 HB2 GLU 43 HB2 GLU 43 5.926 -16.177 7.573 348 HB3 GLU 43 HB3 GLU 43 7.537 -15.655 8.050 349 HG2 GLU 43 HG2 GLU 43 6.984 -16.143 5.130 350 HG3 GLU 43 HG3 GLU 43 6.277 -14.716 5.897 351 H THR 44 H THR 44 7.473 -18.902 5.100 352 HA THR 44 HA THR 44 4.810 -19.743 4.601 353 HB THR 44 HB THR 44 5.774 -20.286 2.704 354 HG1 THR 44 HG1 THR 44 6.630 -22.468 4.191 355 HG21 THR 44 HG23 THR 44 7.928 -19.376 3.144 356 HG22 THR 44 HG21 THR 44 8.379 -20.771 4.156 357 HG23 THR 44 HG22 THR 44 8.153 -20.966 2.402 358 H LEU 45 H LEU 45 3.670 -20.453 6.139 359 HA LEU 45 HA LEU 45 4.480 -22.798 7.677 360 HB2 LEU 45 HB2 LEU 45 3.032 -21.934 9.310 361 HB3 LEU 45 HB3 LEU 45 4.092 -20.660 8.742 362 HG LEU 45 HG LEU 45 1.215 -21.001 7.869 363 HD11 LEU 45 HD11 LEU 45 2.525 -19.275 10.000 364 HD12 LEU 45 HD12 LEU 45 0.840 -19.088 9.514 365 HD13 LEU 45 HD13 LEU 45 1.377 -20.604 10.275 366 HD21 LEU 45 HD23 LEU 45 2.858 -18.488 7.607 367 HD22 LEU 45 HD21 LEU 45 2.334 -19.508 6.250 368 HD23 LEU 45 HD22 LEU 45 1.145 -18.670 7.218 369 H LEU 46 H LEU 46 3.417 -23.299 4.961 370 HA LEU 46 HA LEU 46 1.159 -25.072 5.357 371 HB2 LEU 46 HB2 LEU 46 -0.394 -23.452 4.018 372 HB3 LEU 46 HB3 LEU 46 -0.187 -23.258 5.720 373 HG LEU 46 HG LEU 46 1.414 -21.398 5.398 374 HD11 LEU 46 HD11 LEU 46 0.743 -21.203 2.486 375 HD12 LEU 46 HD12 LEU 46 1.945 -20.339 3.457 376 HD13 LEU 46 HD13 LEU 46 2.201 -22.031 3.071 377 HD21 LEU 46 HD23 LEU 46 -1.365 -21.198 4.405 378 HD22 LEU 46 HD21 LEU 46 -0.645 -20.736 5.937 379 HD23 LEU 46 HD22 LEU 46 -0.277 -19.777 4.490 380 H VAL 47 H VAL 47 0.042 -25.555 3.031 381 HA VAL 47 HA VAL 47 1.943 -25.482 0.782 382 HB VAL 47 HB VAL 47 0.620 -28.118 1.457 383 HG11 VAL 47 HG11 VAL 47 3.197 -27.378 0.046 384 HG12 VAL 47 HG12 VAL 47 2.400 -28.975 0.074 385 HG13 VAL 47 HG13 VAL 47 1.636 -27.605 -0.760 386 HG21 VAL 47 HG23 VAL 47 3.261 -27.267 2.641 387 HG22 VAL 47 HG21 VAL 47 1.783 -27.799 3.498 388 HG23 VAL 47 HG22 VAL 47 2.682 -28.946 2.507 389 H GLN 48 H GLN 48 0.757 -24.918 -1.098 390 HA GLN 48 HA GLN 48 -2.052 -24.777 -1.112 391 HB2 GLN 48 HB2 GLN 48 -0.028 -24.855 -3.369 392 HB3 GLN 48 HB3 GLN 48 -1.772 -24.869 -3.698 393 HG2 GLN 48 HG2 GLN 48 -1.975 -22.909 -2.056 394 HG3 GLN 48 HG3 GLN 48 -0.222 -22.865 -2.124 395 HE21 GLN 48 HE22 GLN 48 -3.290 -22.574 -4.033 396 HE22 GLN 48 HE21 GLN 48 -2.528 -21.719 -5.377 397 H ASN 49 H ASN 49 -3.692 -25.831 -2.114 398 HA ASN 49 HA ASN 49 -5.074 -27.603 -2.134 399 HB2 ASN 49 HB2 ASN 49 -4.427 -27.914 -4.320 400 HB3 ASN 49 HB3 ASN 49 -2.799 -28.387 -3.909 401 HD21 ASN 49 HD22 ASN 49 -2.318 -30.494 -3.935 402 HD22 ASN 49 HD21 ASN 49 -3.532 -31.773 -3.966 403 H ALA 50 H ALA 50 -1.973 -28.331 -0.599 404 HA ALA 50 HA ALA 50 -1.223 -30.121 0.571 405 HB1 ALA 50 HB3 ALA 50 -2.120 -28.565 2.221 406 HB2 ALA 50 HB1 ALA 50 -3.725 -29.313 2.125 407 HB3 ALA 50 HB2 ALA 50 -2.343 -30.221 2.787 408 H ASN 51 H ASN 51 -3.944 -31.384 1.962 409 HA ASN 51 HA ASN 51 -4.831 -33.208 -0.139 410 HB2 ASN 51 HB2 ASN 51 -4.433 -35.231 1.075 411 HB3 ASN 51 HB3 ASN 51 -2.921 -34.364 1.124 412 HD21 ASN 51 HD22 ASN 51 -3.701 -36.426 2.969 413 HD22 ASN 51 HD21 ASN 51 -3.845 -35.671 4.546 414 HA PRO 52 HA PRO 52 -8.586 -32.087 2.032 415 HB2 PRO 52 HB2 PRO 52 -10.094 -34.349 2.523 416 HB3 PRO 52 HB3 PRO 52 -9.953 -33.535 0.937 417 HG2 PRO 52 HG2 PRO 52 -8.578 -36.020 1.902 418 HG3 PRO 52 HG3 PRO 52 -9.181 -35.640 0.272 419 HD2 PRO 52 HD2 PRO 52 -6.531 -35.464 1.048 420 HD3 PRO 52 HD3 PRO 52 -7.225 -34.507 -0.294 421 H ASP 53 H ASP 53 -7.178 -35.003 3.522 422 HA ASP 53 HA ASP 53 -8.286 -34.914 6.008 423 HB2 ASP 53 HB2 ASP 53 -5.444 -35.835 5.540 424 HB3 ASP 53 HB3 ASP 53 -6.647 -36.492 6.626 425 H CYS 54 H CYS 54 -5.168 -33.335 5.150 426 HA CYS 54 HA CYS 54 -4.360 -32.212 7.574 427 HB2 CYS 54 HB2 CYS 54 -2.984 -32.105 5.663 428 HB3 CYS 54 HB3 CYS 54 -4.247 -31.319 4.681 429 HG CYS 54 HG CYS 54 -2.346 -30.036 7.027 430 H LYS 55 H LYS 55 -6.734 -30.811 5.289 431 HA LYS 55 HA LYS 55 -7.145 -28.431 6.942 432 HB2 LYS 55 HB2 LYS 55 -8.769 -29.704 4.740 433 HB3 LYS 55 HB3 LYS 55 -9.315 -28.301 5.661 434 HG2 LYS 55 HG2 LYS 55 -8.296 -27.108 3.984 435 HG3 LYS 55 HG3 LYS 55 -6.923 -27.298 5.051 436 HD2 LYS 55 HD2 LYS 55 -6.053 -27.780 2.932 437 HD3 LYS 55 HD3 LYS 55 -6.303 -29.393 3.610 438 HE2 LYS 55 HE2 LYS 55 -8.539 -29.475 2.470 439 HE3 LYS 55 HE3 LYS 55 -8.225 -27.875 1.768 440 HZ1 LYS 55 HZ3 LYS 55 -6.254 -28.901 0.626 441 HZ2 LYS 55 HZ1 LYS 55 -6.580 -30.294 1.342 442 HZ3 LYS 55 HZ2 LYS 55 -7.627 -29.702 0.228 443 H THR 56 H THR 56 -8.905 -31.560 6.716 444 HA THR 56 HA THR 56 -10.849 -31.019 8.710 445 HB THR 56 HB THR 56 -9.578 -33.734 8.278 446 HG1 THR 56 HG1 THR 56 -10.877 -33.955 6.488 447 HG21 THR 56 HG23 THR 56 -11.413 -33.662 9.912 448 HG22 THR 56 HG21 THR 56 -12.464 -32.852 8.731 449 HG23 THR 56 HG22 THR 56 -11.922 -34.526 8.459 450 H ILE 57 H ILE 57 -7.479 -31.411 9.020 451 HA ILE 57 HA ILE 57 -7.585 -32.188 11.922 452 HB ILE 57 HB ILE 57 -5.470 -32.196 9.774 453 HG12 ILE 57 HG12 ILE 57 -6.357 -34.497 11.546 454 HG13 ILE 57 HG13 ILE 57 -7.244 -34.059 10.090 455 HG21 ILE 57 HG21 ILE 57 -4.859 -32.902 12.659 456 HG22 ILE 57 HG22 ILE 57 -3.772 -33.026 11.248 457 HG23 ILE 57 HG23 ILE 57 -4.266 -31.457 11.820 458 HD11 ILE 57 HD13 ILE 57 -5.101 -34.213 8.788 459 HD12 ILE 57 HD11 ILE 57 -4.349 -34.951 10.219 460 HD13 ILE 57 HD12 ILE 57 -5.724 -35.751 9.426 461 H LEU 58 H LEU 58 -5.460 -29.842 10.106 462 HA LEU 58 HA LEU 58 -4.880 -28.471 12.516 463 HB2 LEU 58 HB2 LEU 58 -4.636 -27.385 9.667 464 HB3 LEU 58 HB3 LEU 58 -3.839 -26.781 11.117 465 HG LEU 58 HG LEU 58 -2.862 -29.193 11.324 466 HD11 LEU 58 HD11 LEU 58 -3.754 -29.135 8.489 467 HD12 LEU 58 HD12 LEU 58 -2.307 -30.106 8.967 468 HD13 LEU 58 HD13 LEU 58 -3.867 -30.455 9.673 469 HD21 LEU 58 HD23 LEU 58 -2.105 -26.992 9.393 470 HD22 LEU 58 HD21 LEU 58 -1.339 -27.452 10.941 471 HD23 LEU 58 HD22 LEU 58 -1.075 -28.420 9.478 472 H LYS 59 H LYS 59 -7.578 -28.129 10.407 473 HA LYS 59 HA LYS 59 -8.646 -25.644 11.058 474 HB2 LYS 59 HB2 LYS 59 -9.861 -28.292 10.534 475 HB3 LYS 59 HB3 LYS 59 -10.862 -27.271 11.474 476 HG2 LYS 59 HG2 LYS 59 -9.805 -25.638 9.309 477 HG3 LYS 59 HG3 LYS 59 -10.444 -27.115 8.636 478 HD2 LYS 59 HD2 LYS 59 -12.065 -25.220 8.745 479 HD3 LYS 59 HD3 LYS 59 -12.623 -26.731 9.452 480 HE2 LYS 59 HE2 LYS 59 -13.267 -24.677 10.724 481 HE3 LYS 59 HE3 LYS 59 -12.443 -25.907 11.682 482 HZ1 LYS 59 HZ3 LYS 59 -10.457 -24.641 11.661 483 HZ2 LYS 59 HZ1 LYS 59 -11.020 -23.583 10.522 484 HZ3 LYS 59 HZ2 LYS 59 -11.637 -23.615 12.071 485 H ALA 60 H ALA 60 -8.282 -28.264 13.276 486 HA ALA 60 HA ALA 60 -9.264 -26.563 15.540 487 HB1 ALA 60 HB3 ALA 60 -10.643 -28.580 15.147 488 HB2 ALA 60 HB1 ALA 60 -9.192 -29.601 15.274 489 HB3 ALA 60 HB2 ALA 60 -9.763 -28.686 16.688 490 H LEU 61 H LEU 61 -6.460 -28.060 14.151 491 HA LEU 61 HA LEU 61 -4.963 -27.788 16.681 492 HB2 LEU 61 HB2 LEU 61 -5.321 -29.994 14.922 493 HB3 LEU 61 HB3 LEU 61 -3.681 -29.489 14.746 494 HG LEU 61 HG LEU 61 -3.437 -29.512 17.290 495 HD11 LEU 61 HD11 LEU 61 -6.135 -30.931 17.152 496 HD12 LEU 61 HD12 LEU 61 -5.089 -30.826 18.587 497 HD13 LEU 61 HD13 LEU 61 -5.829 -29.367 17.927 498 HD21 LEU 61 HD23 LEU 61 -4.236 -32.141 15.978 499 HD22 LEU 61 HD21 LEU 61 -2.615 -31.402 16.010 500 HD23 LEU 61 HD22 LEU 61 -3.342 -31.978 17.509 501 H GLY 62 H GLY 62 -5.140 -25.484 15.854 502 HA2 GLY 62 HA2 GLY 62 -2.548 -24.825 14.467 503 HA3 GLY 62 HA3 GLY 62 -3.938 -23.752 14.550 504 HA PRO 63 HA PRO 63 -2.285 -23.393 18.993 505 HB2 PRO 63 HB2 PRO 63 -0.657 -25.188 20.221 506 HB3 PRO 63 HB3 PRO 63 -2.358 -25.593 19.865 507 HG2 PRO 63 HG2 PRO 63 0.076 -26.241 18.148 508 HG3 PRO 63 HG3 PRO 63 -1.148 -27.389 18.788 509 HD2 PRO 63 HD2 PRO 63 -1.383 -26.330 16.296 510 HD3 PRO 63 HD3 PRO 63 -2.806 -26.589 17.354 511 H ALA 64 H ALA 64 -0.899 -22.630 16.584 512 HA ALA 64 HA ALA 64 0.923 -21.587 15.736 513 HB1 ALA 64 HB3 ALA 64 0.186 -20.048 17.536 514 HB2 ALA 64 HB1 ALA 64 1.393 -20.778 18.623 515 HB3 ALA 64 HB2 ALA 64 1.917 -19.911 17.171 516 H ALA 65 H ALA 65 1.645 -24.351 17.347 517 HA ALA 65 HA ALA 65 4.493 -24.256 16.379 518 HB1 ALA 65 HB3 ALA 65 4.448 -24.076 18.829 519 HB2 ALA 65 HB1 ALA 65 3.442 -25.537 18.950 520 HB3 ALA 65 HB2 ALA 65 5.104 -25.640 18.316 521 H THR 66 H THR 66 2.420 -26.956 17.636 522 HA THR 66 HA THR 66 3.369 -28.947 16.146 523 HB THR 66 HB THR 66 0.375 -28.681 16.522 524 HG1 THR 66 HG1 THR 66 2.045 -29.678 18.496 525 HG21 THR 66 HG23 THR 66 1.041 -30.804 15.500 526 HG22 THR 66 HG21 THR 66 2.293 -31.052 16.722 527 HG23 THR 66 HG22 THR 66 0.568 -31.093 17.176 528 H LEU 67 H LEU 67 1.411 -26.506 14.610 529 HA LEU 67 HA LEU 67 0.525 -27.678 12.214 530 HB2 LEU 67 HB2 LEU 67 0.298 -25.391 13.114 531 HB3 LEU 67 HB3 LEU 67 1.940 -25.040 12.641 532 HG LEU 67 HG LEU 67 -0.559 -25.203 10.904 533 HD11 LEU 67 HD11 LEU 67 1.947 -23.482 10.947 534 HD12 LEU 67 HD12 LEU 67 0.489 -23.189 9.975 535 HD13 LEU 67 HD13 LEU 67 0.414 -23.065 11.750 536 HD21 LEU 67 HD23 LEU 67 2.189 -25.750 9.819 537 HD22 LEU 67 HD21 LEU 67 0.736 -26.814 9.777 538 HD23 LEU 67 HD22 LEU 67 0.775 -25.283 8.895 539 H GLU 68 H GLU 68 3.840 -26.479 12.973 540 HA GLU 68 HA GLU 68 5.163 -26.830 10.612 541 HB2 GLU 68 HB2 GLU 68 6.056 -27.769 13.402 542 HB3 GLU 68 HB3 GLU 68 7.164 -27.524 12.029 543 HG2 GLU 68 HG2 GLU 68 6.451 -25.145 11.970 544 HG3 GLU 68 HG3 GLU 68 5.400 -25.449 13.326 545 H GLU 69 H GLU 69 4.369 -29.513 12.794 546 HA GLU 69 HA GLU 69 5.377 -31.527 10.873 547 HB2 GLU 69 HB2 GLU 69 4.407 -33.246 12.210 548 HB3 GLU 69 HB3 GLU 69 5.322 -32.130 13.218 549 HG2 GLU 69 HG2 GLU 69 3.518 -31.439 14.414 550 HG3 GLU 69 HG3 GLU 69 2.380 -31.641 13.091 551 H MET 70 H MET 70 2.210 -30.185 11.648 552 HA MET 70 HA MET 70 0.674 -32.040 10.073 553 HB2 MET 70 HB2 MET 70 -0.128 -29.365 11.024 554 HB3 MET 70 HB3 MET 70 -1.175 -30.778 10.639 555 HG2 MET 70 HG2 MET 70 0.406 -31.735 12.601 556 HG3 MET 70 HG3 MET 70 0.355 -29.986 12.978 557 HE1 MET 70 HE3 MET 70 -1.343 -33.400 12.891 558 HE2 MET 70 HE1 MET 70 -0.741 -32.902 14.483 559 HE3 MET 70 HE2 MET 70 -2.482 -33.164 14.236 560 H MET 71 H MET 71 2.192 -29.122 9.189 561 HA MET 71 HA MET 71 1.083 -28.636 6.587 562 HB2 MET 71 HB2 MET 71 2.371 -26.915 7.495 563 HB3 MET 71 HB3 MET 71 3.659 -27.976 8.055 564 HG2 MET 71 HG2 MET 71 3.176 -27.630 5.102 565 HG3 MET 71 HG3 MET 71 4.043 -26.402 6.007 566 HE1 MET 71 HE3 MET 71 4.815 -29.029 3.580 567 HE2 MET 71 HE1 MET 71 5.494 -27.381 3.657 568 HE3 MET 71 HE2 MET 71 6.559 -28.794 3.826 569 H THR 72 H THR 72 3.947 -30.550 7.588 570 HA THR 72 HA THR 72 4.335 -31.817 4.991 571 HB THR 72 HB THR 72 5.102 -32.871 7.726 572 HG1 THR 72 HG1 THR 72 5.993 -30.787 7.522 573 HG21 THR 72 HG23 THR 72 5.532 -34.508 5.960 574 HG22 THR 72 HG21 THR 72 6.340 -33.272 4.964 575 HG23 THR 72 HG22 THR 72 7.073 -33.818 6.486 576 H ALA 73 H ALA 73 2.607 -32.776 7.956 577 HA ALA 73 HA ALA 73 2.279 -35.488 7.385 578 HB1 ALA 73 HB3 ALA 73 1.836 -34.340 9.580 579 HB2 ALA 73 HB1 ALA 73 0.278 -33.783 8.905 580 HB3 ALA 73 HB2 ALA 73 0.591 -35.510 9.108 581 H CYS 74 H CYS 74 0.591 -32.909 5.857 582 HA CYS 74 HA CYS 74 -1.650 -34.377 4.817 583 HB2 CYS 74 HB2 CYS 74 -1.964 -32.459 3.487 584 HB3 CYS 74 HB3 CYS 74 -1.141 -31.823 4.921 585 HG CYS 74 HG CYS 74 1.159 -31.456 3.927 586 H GLN 75 H GLN 75 1.717 -34.681 4.004 587 HA GLN 75 HA GLN 75 1.192 -35.378 1.216 588 HB2 GLN 75 HB2 GLN 75 3.502 -35.276 0.924 589 HB3 GLN 75 HB3 GLN 75 3.157 -34.047 2.145 590 HG2 GLN 75 HG2 GLN 75 4.912 -34.958 3.219 591 HG3 GLN 75 HG3 GLN 75 3.708 -36.113 3.798 592 HE21 GLN 75 HE22 GLN 75 3.837 -38.276 3.064 593 HE22 GLN 75 HE21 GLN 75 5.216 -38.825 2.075 594 H GLY 76 H GLY 76 1.048 -37.407 0.322 595 HA2 GLY 76 HA2 GLY 76 0.952 -39.717 0.156 596 HA3 GLY 76 HA3 GLY 76 2.225 -39.793 1.378 597 H VAL 77 H VAL 77 -0.758 -38.218 2.278 598 HA VAL 77 HA VAL 77 -1.786 -40.552 3.760 599 HB VAL 77 HB VAL 77 -1.500 -37.643 4.687 600 HG11 VAL 77 HG11 VAL 77 -2.909 -39.994 6.048 601 HG12 VAL 77 HG12 VAL 77 -2.580 -38.410 6.786 602 HG13 VAL 77 HG13 VAL 77 -3.690 -38.523 5.423 603 HG21 VAL 77 HG23 VAL 77 -0.398 -40.264 5.827 604 HG22 VAL 77 HG21 VAL 77 0.552 -39.007 5.014 605 HG23 VAL 77 HG22 VAL 77 -0.216 -38.651 6.560 606 H GLY 78 H GLY 78 -3.682 -40.880 3.154 607 HA2 GLY 78 HA2 GLY 78 -6.050 -39.938 3.443 608 HA3 GLY 78 HA3 GLY 78 -5.579 -38.709 2.283 609 H GLY 79 H GLY 79 -7.764 -39.777 1.603 610 HA2 GLY 79 HA2 GLY 79 -8.816 -40.620 -0.301 611 HA3 GLY 79 HA3 GLY 79 -7.208 -40.725 -1.011 612 HA PRO 80 HA PRO 80 -7.905 -45.033 1.097 613 HB2 PRO 80 HB2 PRO 80 -10.435 -45.788 1.881 614 HB3 PRO 80 HB3 PRO 80 -9.274 -44.897 2.904 615 HG2 PRO 80 HG2 PRO 80 -11.511 -43.740 1.214 616 HG3 PRO 80 HG3 PRO 80 -11.141 -43.408 2.939 617 HD2 PRO 80 HD2 PRO 80 -10.288 -41.746 0.986 618 HD3 PRO 80 HD3 PRO 80 -9.227 -42.129 2.375 619 H GLY 81 H GLY 81 -7.440 -45.101 -1.198 620 HA2 GLY 81 HA2 GLY 81 -7.490 -46.588 -3.042 621 HA3 GLY 81 HA3 GLY 81 -9.119 -47.084 -2.621 622 H HIS 82 H HIS 82 -8.159 -46.437 -5.176 623 HA HIS 82 HA HIS 82 -8.992 -44.015 -6.317 624 HB2 HIS 82 HB2 HIS 82 -9.569 -45.634 -8.290 625 HB3 HIS 82 HB3 HIS 82 -7.909 -45.491 -7.727 626 HD2 HIS 82 HD2 HIS 82 -10.860 -47.823 -6.597 627 HE1 HIS 82 HE1 HIS 82 -7.292 -50.145 -6.827 628 HE2 HIS 82 HE2 HIS 82 -9.797 -50.221 -6.335 629 H LYS 83 H LYS 83 -10.882 -43.152 -7.021 630 HA LYS 83 HA LYS 83 -13.489 -44.431 -6.927 631 HB2 LYS 83 HB2 LYS 83 -12.296 -43.341 -4.562 632 HB3 LYS 83 HB3 LYS 83 -13.473 -42.150 -5.063 633 HG2 LYS 83 HG2 LYS 83 -15.286 -43.685 -4.924 634 HG3 LYS 83 HG3 LYS 83 -14.232 -45.101 -4.863 635 HD2 LYS 83 HD2 LYS 83 -13.925 -43.053 -2.668 636 HD3 LYS 83 HD3 LYS 83 -15.384 -44.030 -2.675 637 HE2 LYS 83 HE2 LYS 83 -13.619 -44.983 -1.240 638 HE3 LYS 83 HE3 LYS 83 -14.188 -46.089 -2.490 639 HZ1 LYS 83 HZ3 LYS 83 -12.166 -45.743 -3.723 640 HZ2 LYS 83 HZ1 LYS 83 -11.677 -44.514 -2.778 641 HZ3 LYS 83 HZ2 LYS 83 -11.708 -45.979 -2.139 642 H ALA 84 H ALA 84 -15.187 -42.910 -7.554 643 HA ALA 84 HA ALA 84 -14.444 -40.884 -9.474 644 HB1 ALA 84 HB3 ALA 84 -16.555 -42.171 -9.594 645 HB2 ALA 84 HB1 ALA 84 -17.094 -41.446 -8.060 646 HB3 ALA 84 HB2 ALA 84 -16.875 -40.432 -9.500 647 H ARG 85 H ARG 85 -15.063 -38.579 -9.289 648 HA ARG 85 HA ARG 85 -15.055 -37.375 -6.588 649 HB2 ARG 85 HB2 ARG 85 -12.785 -37.041 -8.581 650 HB3 ARG 85 HB3 ARG 85 -13.149 -35.840 -7.342 651 HG2 ARG 85 HG2 ARG 85 -12.993 -37.722 -5.602 652 HG3 ARG 85 HG3 ARG 85 -12.320 -38.721 -6.903 653 HD2 ARG 85 HD2 ARG 85 -10.486 -37.835 -5.766 654 HD3 ARG 85 HD3 ARG 85 -10.607 -36.907 -7.280 655 HE ARG 85 HE ARG 85 -11.973 -35.288 -5.583 656 HH11 ARG 85 HH11 ARG 85 -8.762 -36.657 -5.355 657 HH12 ARG 85 HH12 ARG 85 -8.244 -35.525 -4.140 658 HH21 ARG 85 HH21 ARG 85 -11.226 -33.843 -4.018 659 HH22 ARG 85 HH22 ARG 85 -9.572 -33.926 -3.483 660 H VAL 86 H VAL 86 -15.137 -35.052 -6.717 661 HA VAL 86 HA VAL 86 -16.033 -33.727 -9.150 662 HB VAL 86 HB VAL 86 -18.091 -34.482 -7.881 663 HG11 VAL 86 HG11 VAL 86 -17.299 -32.340 -5.868 664 HG12 VAL 86 HG12 VAL 86 -18.809 -33.261 -5.911 665 HG13 VAL 86 HG13 VAL 86 -17.283 -34.094 -5.564 666 HG21 VAL 86 HG23 VAL 86 -17.923 -31.464 -8.136 667 HG22 VAL 86 HG21 VAL 86 -18.084 -32.585 -9.510 668 HG23 VAL 86 HG22 VAL 86 -19.339 -32.506 -8.265 669 H LEU 87 H LEU 87 -16.120 -31.218 -8.413 670 HA LEU 87 HA LEU 87 -13.990 -30.465 -6.546 671 HB2 LEU 87 HB2 LEU 87 -12.977 -30.885 -8.829 672 HB3 LEU 87 HB3 LEU 87 -14.082 -29.690 -9.511 673 HG LEU 87 HG LEU 87 -12.039 -29.025 -7.347 674 HD11 LEU 87 HD11 LEU 87 -11.785 -28.798 -10.371 675 HD12 LEU 87 HD12 LEU 87 -10.610 -28.202 -9.175 676 HD13 LEU 87 HD13 LEU 87 -10.904 -29.941 -9.331 677 HD21 LEU 87 HD23 LEU 87 -13.579 -27.295 -9.337 678 HD22 LEU 87 HD21 LEU 87 -13.719 -27.265 -7.574 679 HD23 LEU 87 HD22 LEU 87 -12.228 -26.713 -8.328 Start of MODEL 5 1 H1 MET 1 H1 MET 1 0.149 1.350 -4.777 2 H2 MET 1 H2 MET 1 1.785 1.266 -4.705 3 H3 MET 1 H3 MET 1 1.028 2.742 -4.788 4 HA MET 1 HA MET 1 1.819 2.340 -2.561 5 HB2 MET 1 HB2 MET 1 -1.219 2.154 -2.832 6 HB3 MET 1 HB3 MET 1 -0.356 2.489 -1.324 7 HG2 MET 1 HG2 MET 1 -1.146 4.552 -2.214 8 HG3 MET 1 HG3 MET 1 0.614 4.529 -2.276 9 HE1 MET 1 HE3 MET 1 -1.375 6.624 -3.764 10 HE2 MET 1 HE1 MET 1 0.400 6.747 -3.807 11 HE3 MET 1 HE2 MET 1 -0.535 6.799 -5.318 12 H SER 2 H SER 2 -0.392 0.553 -1.030 13 HA SER 2 HA SER 2 0.773 -1.769 -0.436 14 HB2 SER 2 HB2 SER 2 -2.081 -0.978 -1.029 15 HB3 SER 2 HB3 SER 2 -1.716 -2.582 -0.414 16 HG SER 2 HG SER 2 -0.745 -1.749 1.339 17 HA PRO 3 HA PRO 3 0.872 -3.962 -4.469 18 HB2 PRO 3 HB2 PRO 3 2.734 -5.856 -3.878 19 HB3 PRO 3 HB3 PRO 3 3.173 -4.133 -4.061 20 HG2 PRO 3 HG2 PRO 3 2.558 -5.611 -1.472 21 HG3 PRO 3 HG3 PRO 3 4.020 -4.645 -1.865 22 HD2 PRO 3 HD2 PRO 3 1.915 -3.580 -0.526 23 HD3 PRO 3 HD3 PRO 3 2.822 -2.618 -1.722 24 H THR 4 H THR 4 -0.736 -4.725 -1.735 25 HA THR 4 HA THR 4 -1.962 -6.348 -0.875 26 HB THR 4 HB THR 4 -2.871 -6.949 -3.703 27 HG1 THR 4 HG1 THR 4 -3.334 -4.847 -1.897 28 HG21 THR 4 HG23 THR 4 -3.852 -8.451 -1.974 29 HG22 THR 4 HG21 THR 4 -4.273 -7.038 -0.979 30 HG23 THR 4 HG22 THR 4 -5.054 -7.289 -2.556 31 H SER 5 H SER 5 0.214 -7.167 -0.482 32 HA SER 5 HA SER 5 0.511 -10.020 -1.279 33 HB2 SER 5 HB2 SER 5 2.680 -7.896 -1.298 34 HB3 SER 5 HB3 SER 5 2.970 -9.635 -1.396 35 HG SER 5 HG SER 5 1.374 -8.155 -3.275 36 H ILE 6 H ILE 6 2.396 -10.962 0.185 37 HA ILE 6 HA ILE 6 1.380 -11.305 2.646 38 HB ILE 6 HB ILE 6 2.878 -12.839 1.944 39 HG12 ILE 6 HG12 ILE 6 4.455 -13.147 3.702 40 HG13 ILE 6 HG13 ILE 6 4.476 -11.455 4.130 41 HG21 ILE 6 HG21 ILE 6 5.084 -10.769 1.656 42 HG22 ILE 6 HG22 ILE 6 5.265 -12.516 1.479 43 HG23 ILE 6 HG23 ILE 6 4.235 -11.644 0.340 44 HD11 ILE 6 HD13 ILE 6 2.312 -11.539 5.100 45 HD12 ILE 6 HD11 ILE 6 1.868 -13.022 4.251 46 HD13 ILE 6 HD12 ILE 6 3.050 -13.071 5.591 47 H LEU 7 H LEU 7 4.302 -9.123 2.549 48 HA LEU 7 HA LEU 7 3.784 -8.197 5.173 49 HB2 LEU 7 HB2 LEU 7 5.629 -6.765 4.867 50 HB3 LEU 7 HB3 LEU 7 5.987 -8.316 4.131 51 HG LEU 7 HG LEU 7 5.058 -5.903 2.494 52 HD11 LEU 7 HD11 LEU 7 7.900 -6.782 3.142 53 HD12 LEU 7 HD12 LEU 7 7.443 -5.491 2.011 54 HD13 LEU 7 HD13 LEU 7 7.099 -5.304 3.740 55 HD21 LEU 7 HD23 LEU 7 6.524 -8.468 1.740 56 HD22 LEU 7 HD21 LEU 7 4.899 -7.947 1.201 57 HD23 LEU 7 HD22 LEU 7 6.327 -7.075 0.667 58 H ASP 8 H ASP 8 1.566 -7.752 3.337 59 HA ASP 8 HA ASP 8 0.844 -4.888 3.861 60 HB2 ASP 8 HB2 ASP 8 1.929 -5.283 1.628 61 HB3 ASP 8 HB3 ASP 8 0.602 -6.310 1.186 62 H ILE 9 H ILE 9 0.098 -8.071 4.117 63 HA ILE 9 HA ILE 9 -2.811 -7.596 4.590 64 HB ILE 9 HB ILE 9 -3.380 -9.728 3.832 65 HG12 ILE 9 HG12 ILE 9 -0.491 -10.194 3.076 66 HG13 ILE 9 HG13 ILE 9 -1.302 -10.943 4.453 67 HG21 ILE 9 HG21 ILE 9 -1.784 -8.401 1.630 68 HG22 ILE 9 HG22 ILE 9 -3.254 -9.380 1.468 69 HG23 ILE 9 HG23 ILE 9 -3.320 -7.797 2.250 70 HD11 ILE 9 HD13 ILE 9 -2.951 -11.940 2.886 71 HD12 ILE 9 HD11 ILE 9 -2.022 -11.281 1.514 72 HD13 ILE 9 HD12 ILE 9 -1.272 -12.482 2.581 73 H ARG 10 H ARG 10 -3.668 -9.705 5.818 74 HA ARG 10 HA ARG 10 -2.194 -9.923 8.339 75 HB2 ARG 10 HB2 ARG 10 -4.098 -11.223 9.130 76 HB3 ARG 10 HB3 ARG 10 -4.612 -9.722 8.373 77 HG2 ARG 10 HG2 ARG 10 -6.170 -11.221 7.590 78 HG3 ARG 10 HG3 ARG 10 -5.064 -11.147 6.239 79 HD2 ARG 10 HD2 ARG 10 -4.670 -13.378 6.339 80 HD3 ARG 10 HD3 ARG 10 -4.183 -13.269 8.012 81 HE ARG 10 HE ARG 10 -6.230 -14.014 8.726 82 HH11 ARG 10 HH11 ARG 10 -6.595 -13.198 5.366 83 HH12 ARG 10 HH12 ARG 10 -8.234 -13.783 5.272 84 HH21 ARG 10 HH21 ARG 10 -8.345 -14.734 8.589 85 HH22 ARG 10 HH22 ARG 10 -9.212 -14.620 7.093 86 H GLN 11 H GLN 11 -1.397 -11.582 9.238 87 HA GLN 11 HA GLN 11 -0.601 -14.110 7.984 88 HB2 GLN 11 HB2 GLN 11 1.027 -12.696 9.107 89 HB3 GLN 11 HB3 GLN 11 0.069 -12.662 10.581 90 HG2 GLN 11 HG2 GLN 11 1.009 -15.346 9.613 91 HG3 GLN 11 HG3 GLN 11 2.232 -14.229 10.194 92 HE21 GLN 11 HE22 GLN 11 2.022 -13.422 12.492 93 HE22 GLN 11 HE21 GLN 11 1.121 -14.449 13.607 94 H GLY 12 H GLY 12 -1.251 -16.078 9.007 95 HA2 GLY 12 HA2 GLY 12 -2.544 -16.669 11.293 96 HA3 GLY 12 HA3 GLY 12 -3.893 -16.104 10.306 97 HA PRO 13 HA PRO 13 -2.467 -20.393 8.470 98 HB2 PRO 13 HB2 PRO 13 -0.559 -21.828 9.743 99 HB3 PRO 13 HB3 PRO 13 -0.155 -20.461 8.690 100 HG2 PRO 13 HG2 PRO 13 -0.428 -20.434 11.722 101 HG3 PRO 13 HG3 PRO 13 0.936 -19.801 10.742 102 HD2 PRO 13 HD2 PRO 13 -1.186 -18.304 11.690 103 HD3 PRO 13 HD3 PRO 13 -0.253 -17.872 10.227 104 H LYS 14 H LYS 14 -4.442 -19.682 10.157 105 HA LYS 14 HA LYS 14 -4.960 -22.056 11.961 106 HB2 LYS 14 HB2 LYS 14 -5.782 -19.155 12.322 107 HB3 LYS 14 HB3 LYS 14 -6.294 -20.511 13.326 108 HG2 LYS 14 HG2 LYS 14 -3.414 -19.552 13.020 109 HG3 LYS 14 HG3 LYS 14 -4.505 -19.153 14.349 110 HD2 LYS 14 HD2 LYS 14 -4.711 -21.610 14.868 111 HD3 LYS 14 HD3 LYS 14 -3.459 -21.930 13.644 112 HE2 LYS 14 HE2 LYS 14 -1.884 -20.459 14.848 113 HE3 LYS 14 HE3 LYS 14 -3.132 -20.083 16.050 114 HZ1 LYS 14 HZ3 LYS 14 -3.168 -22.463 16.623 115 HZ2 LYS 14 HZ1 LYS 14 -1.979 -22.770 15.540 116 HZ3 LYS 14 HZ2 LYS 14 -1.660 -21.831 16.848 117 H GLU 15 H GLU 15 -7.481 -19.747 11.421 118 HA GLU 15 HA GLU 15 -9.180 -21.814 10.776 119 HB2 GLU 15 HB2 GLU 15 -9.715 -18.854 10.274 120 HB3 GLU 15 HB3 GLU 15 -10.925 -20.135 10.285 121 HG2 GLU 15 HG2 GLU 15 -9.321 -19.042 12.597 122 HG3 GLU 15 HG3 GLU 15 -11.079 -19.141 12.419 123 HA PRO 16 HA PRO 16 -9.006 -21.290 6.157 124 HB2 PRO 16 HB2 PRO 16 -7.453 -19.506 4.879 125 HB3 PRO 16 HB3 PRO 16 -8.975 -18.974 5.669 126 HG2 PRO 16 HG2 PRO 16 -6.136 -18.769 6.733 127 HG3 PRO 16 HG3 PRO 16 -7.401 -17.504 6.704 128 HD2 PRO 16 HD2 PRO 16 -6.861 -19.151 8.867 129 HD3 PRO 16 HD3 PRO 16 -8.458 -18.400 8.563 130 H PHE 17 H PHE 17 -7.764 -22.469 4.735 131 HA PHE 17 HA PHE 17 -4.837 -22.474 5.005 132 HB2 PHE 17 HB2 PHE 17 -6.215 -24.616 6.060 133 HB3 PHE 17 HB3 PHE 17 -5.775 -25.208 4.480 134 HD1 PHE 17 HD2 PHE 17 -3.959 -23.071 7.074 135 HD2 PHE 17 HD1 PHE 17 -3.921 -26.654 4.681 136 HE1 PHE 17 HE2 PHE 17 -1.649 -23.567 7.840 137 HE2 PHE 17 HE1 PHE 17 -1.648 -27.178 5.543 138 HZ PHE 17 HZ PHE 17 -0.469 -25.610 7.049 139 H ARG 18 H ARG 18 -7.485 -23.956 2.849 140 HA ARG 18 HA ARG 18 -5.754 -23.675 0.545 141 HB2 ARG 18 HB2 ARG 18 -7.610 -24.278 -0.767 142 HB3 ARG 18 HB3 ARG 18 -7.606 -25.268 0.670 143 HG2 ARG 18 HG2 ARG 18 -9.859 -24.803 0.244 144 HG3 ARG 18 HG3 ARG 18 -9.456 -23.768 1.614 145 HD2 ARG 18 HD2 ARG 18 -9.914 -21.873 0.421 146 HD3 ARG 18 HD3 ARG 18 -8.939 -22.400 -0.900 147 HE ARG 18 HE ARG 18 -10.846 -23.234 -2.006 148 HH11 ARG 18 HH11 ARG 18 -11.862 -22.128 1.231 149 HH12 ARG 18 HH12 ARG 18 -13.516 -22.081 0.752 150 HH21 ARG 18 HH21 ARG 18 -13.000 -23.128 -2.483 151 HH22 ARG 18 HH22 ARG 18 -14.141 -22.663 -1.254 152 H ASP 19 H ASP 19 -8.077 -21.778 2.097 153 HA ASP 19 HA ASP 19 -8.660 -19.653 0.339 154 HB2 ASP 19 HB2 ASP 19 -8.982 -19.117 3.226 155 HB3 ASP 19 HB3 ASP 19 -10.178 -19.162 1.952 156 H TYR 20 H TYR 20 -5.916 -20.193 2.143 157 HA TYR 20 HA TYR 20 -5.026 -17.362 1.940 158 HB2 TYR 20 HB2 TYR 20 -5.828 -17.755 4.206 159 HB3 TYR 20 HB3 TYR 20 -4.715 -19.114 4.375 160 HD1 TYR 20 HD1 TYR 20 -3.936 -15.776 2.775 161 HD2 TYR 20 HD2 TYR 20 -3.464 -18.333 6.230 162 HE1 TYR 20 HE1 TYR 20 -2.092 -14.346 3.579 163 HE2 TYR 20 HE2 TYR 20 -1.625 -16.857 7.029 164 HH TYR 20 HH TYR 20 -0.578 -13.973 5.234 165 H VAL 21 H VAL 21 -4.068 -20.784 2.071 166 HA VAL 21 HA VAL 21 -1.315 -20.440 1.686 167 HB VAL 21 HB VAL 21 -2.503 -22.571 2.301 168 HG11 VAL 21 HG11 VAL 21 -2.671 -23.217 -0.658 169 HG12 VAL 21 HG12 VAL 21 -3.352 -24.081 0.750 170 HG13 VAL 21 HG13 VAL 21 -4.043 -22.538 0.218 171 HG21 VAL 21 HG23 VAL 21 -0.509 -22.880 0.068 172 HG22 VAL 21 HG21 VAL 21 -0.096 -22.376 1.710 173 HG23 VAL 21 HG22 VAL 21 -0.866 -23.954 1.460 174 H ASP 22 H ASP 22 -3.875 -20.553 -0.834 175 HA ASP 22 HA ASP 22 -2.164 -20.327 -3.114 176 HB2 ASP 22 HB2 ASP 22 -4.612 -20.474 -3.261 177 HB3 ASP 22 HB3 ASP 22 -4.798 -19.063 -2.339 178 H ARG 23 H ARG 23 -3.756 -17.884 -1.455 179 HA ARG 23 HA ARG 23 -2.627 -15.561 -2.513 180 HB2 ARG 23 HB2 ARG 23 -3.359 -15.335 0.383 181 HB3 ARG 23 HB3 ARG 23 -3.849 -14.350 -0.975 182 HG2 ARG 23 HG2 ARG 23 -4.912 -17.073 -0.142 183 HG3 ARG 23 HG3 ARG 23 -5.726 -15.534 0.104 184 HD2 ARG 23 HD2 ARG 23 -4.962 -16.074 -2.711 185 HD3 ARG 23 HD3 ARG 23 -6.023 -17.304 -2.002 186 HE ARG 23 HE ARG 23 -7.048 -14.761 -1.370 187 HH11 ARG 23 HH11 ARG 23 -6.576 -16.843 -4.172 188 HH12 ARG 23 HH12 ARG 23 -7.973 -16.236 -5.018 189 HH21 ARG 23 HH21 ARG 23 -8.919 -14.013 -2.583 190 HH22 ARG 23 HH22 ARG 23 -9.154 -14.604 -4.198 191 H PHE 24 H PHE 24 -1.211 -17.432 0.140 192 HA PHE 24 HA PHE 24 0.770 -15.323 0.685 193 HB2 PHE 24 HB2 PHE 24 0.073 -16.670 2.563 194 HB3 PHE 24 HB3 PHE 24 0.466 -18.154 1.693 195 HD1 PHE 24 HD1 PHE 24 2.685 -18.878 1.405 196 HD2 PHE 24 HD2 PHE 24 1.953 -15.281 3.591 197 HE1 PHE 24 HE1 PHE 24 5.141 -18.560 1.698 198 HE2 PHE 24 HE2 PHE 24 4.377 -15.167 4.186 199 HZ PHE 24 HZ PHE 24 6.020 -16.710 3.129 200 H TYR 25 H TYR 25 1.097 -18.765 -0.592 201 HA TYR 25 HA TYR 25 3.745 -18.319 -1.534 202 HB2 TYR 25 HB2 TYR 25 1.602 -20.314 -2.266 203 HB3 TYR 25 HB3 TYR 25 3.044 -20.177 -3.257 204 HD1 TYR 25 HD2 TYR 25 4.032 -19.548 0.079 205 HD2 TYR 25 HD1 TYR 25 3.053 -22.667 -2.659 206 HE1 TYR 25 HE2 TYR 25 5.301 -21.166 1.496 207 HE2 TYR 25 HE1 TYR 25 4.308 -24.310 -1.249 208 HH TYR 25 HH TYR 25 5.092 -24.563 1.237 209 H LYS 26 H LYS 26 0.733 -17.890 -3.421 210 HA LYS 26 HA LYS 26 2.023 -17.168 -5.848 211 HB2 LYS 26 HB2 LYS 26 -0.228 -17.866 -5.828 212 HB3 LYS 26 HB3 LYS 26 -0.690 -16.615 -4.672 213 HG2 LYS 26 HG2 LYS 26 0.417 -15.644 -7.284 214 HG3 LYS 26 HG3 LYS 26 -1.158 -16.416 -7.339 215 HD2 LYS 26 HD2 LYS 26 -0.685 -14.401 -5.123 216 HD3 LYS 26 HD3 LYS 26 -0.867 -13.789 -6.762 217 HE2 LYS 26 HE2 LYS 26 -3.052 -13.897 -5.514 218 HE3 LYS 26 HE3 LYS 26 -3.036 -14.758 -7.059 219 HZ1 LYS 26 HZ3 LYS 26 -2.771 -16.865 -5.846 220 HZ2 LYS 26 HZ1 LYS 26 -2.705 -16.128 -4.438 221 HZ3 LYS 26 HZ2 LYS 26 -4.086 -16.164 -5.317 222 H THR 27 H THR 27 1.423 -15.077 -3.004 223 HA THR 27 HA THR 27 2.222 -12.699 -4.640 224 HB THR 27 HB THR 27 2.050 -11.419 -2.514 225 HG1 THR 27 HG1 THR 27 0.700 -13.627 -1.435 226 HG21 THR 27 HG23 THR 27 0.127 -11.406 -4.032 227 HG22 THR 27 HG21 THR 27 -0.448 -12.961 -3.382 228 HG23 THR 27 HG22 THR 27 -0.483 -11.519 -2.374 229 H LEU 28 H LEU 28 3.258 -14.563 -1.914 230 HA LEU 28 HA LEU 28 5.749 -13.505 -1.237 231 HB2 LEU 28 HB2 LEU 28 4.662 -15.149 0.075 232 HB3 LEU 28 HB3 LEU 28 4.712 -16.336 -1.204 233 HG LEU 28 HG LEU 28 6.272 -16.490 0.743 234 HD11 LEU 28 HD11 LEU 28 7.737 -16.732 -1.869 235 HD12 LEU 28 HD12 LEU 28 7.854 -17.725 -0.419 236 HD13 LEU 28 HD13 LEU 28 6.403 -17.827 -1.408 237 HD21 LEU 28 HD23 LEU 28 8.220 -14.715 -0.668 238 HD22 LEU 28 HD21 LEU 28 7.105 -14.095 0.565 239 HD23 LEU 28 HD22 LEU 28 8.220 -15.386 0.970 240 H ARG 29 H ARG 29 5.149 -15.872 -3.811 241 HA ARG 29 HA ARG 29 7.693 -16.685 -4.281 242 HB2 ARG 29 HB2 ARG 29 6.945 -17.761 -6.312 243 HB3 ARG 29 HB3 ARG 29 5.858 -17.959 -4.982 244 HG2 ARG 29 HG2 ARG 29 4.766 -17.681 -7.181 245 HG3 ARG 29 HG3 ARG 29 4.198 -16.564 -5.967 246 HD2 ARG 29 HD2 ARG 29 6.218 -15.752 -8.063 247 HD3 ARG 29 HD3 ARG 29 4.469 -15.679 -8.314 248 HE ARG 29 HE ARG 29 4.765 -14.347 -5.943 249 HH11 ARG 29 HH11 ARG 29 6.055 -13.848 -9.115 250 HH12 ARG 29 HH12 ARG 29 6.178 -12.114 -8.918 251 HH21 ARG 29 HH21 ARG 29 5.125 -12.185 -5.634 252 HH22 ARG 29 HH22 ARG 29 5.616 -11.180 -6.973 253 H ALA 30 H ALA 30 7.962 -13.738 -4.554 254 HA ALA 30 HA ALA 30 9.875 -13.925 -6.842 255 HB1 ALA 30 HB3 ALA 30 8.226 -12.220 -7.447 256 HB2 ALA 30 HB1 ALA 30 8.418 -11.426 -5.857 257 HB3 ALA 30 HB2 ALA 30 9.755 -11.438 -7.024 258 H GLU 31 H GLU 31 9.437 -13.735 -3.501 259 HA GLU 31 HA GLU 31 12.349 -13.490 -3.086 260 HB2 GLU 31 HB2 GLU 31 10.299 -12.343 -1.179 261 HB3 GLU 31 HB3 GLU 31 12.073 -12.214 -1.126 262 HG2 GLU 31 HG2 GLU 31 12.002 -10.759 -3.135 263 HG3 GLU 31 HG3 GLU 31 10.230 -10.811 -3.096 264 H GLN 32 H GLN 32 12.611 -14.392 -0.617 265 HA GLN 32 HA GLN 32 12.644 -16.449 0.468 266 HB2 GLN 32 HB2 GLN 32 10.180 -16.073 1.805 267 HB3 GLN 32 HB3 GLN 32 11.787 -15.631 2.279 268 HG2 GLN 32 HG2 GLN 32 9.988 -13.780 0.686 269 HG3 GLN 32 HG3 GLN 32 10.035 -13.844 2.431 270 HE21 GLN 32 HE22 GLN 32 10.677 -11.370 1.057 271 HE22 GLN 32 HE21 GLN 32 12.355 -11.115 1.324 272 H ALA 33 H ALA 33 11.822 -17.164 -2.064 273 HA ALA 33 HA ALA 33 9.430 -18.491 -2.312 274 HB1 ALA 33 HB3 ALA 33 10.709 -17.408 -4.104 275 HB2 ALA 33 HB1 ALA 33 11.941 -18.697 -4.011 276 HB3 ALA 33 HB2 ALA 33 10.288 -19.070 -4.540 277 H SER 34 H SER 34 10.493 -19.796 -0.078 278 HA SER 34 HA SER 34 11.438 -22.431 -0.508 279 HB2 SER 34 HB2 SER 34 9.807 -21.520 1.871 280 HB3 SER 34 HB3 SER 34 11.132 -22.686 1.830 281 HG SER 34 HG SER 34 11.432 -20.358 2.595 282 H GLN 35 H GLN 35 9.367 -22.290 -2.332 283 HA GLN 35 HA GLN 35 6.771 -22.998 -1.526 284 HB2 GLN 35 HB2 GLN 35 7.566 -21.931 -3.641 285 HB3 GLN 35 HB3 GLN 35 8.162 -23.482 -4.200 286 HG2 GLN 35 HG2 GLN 35 5.289 -23.507 -3.430 287 HG3 GLN 35 HG3 GLN 35 5.664 -22.351 -4.695 288 HE21 GLN 35 HE22 GLN 35 5.990 -25.831 -3.846 289 HE22 GLN 35 HE21 GLN 35 5.987 -26.339 -5.547 290 H GLU 36 H GLU 36 9.429 -24.979 -1.563 291 HA GLU 36 HA GLU 36 8.386 -27.652 -2.209 292 HB2 GLU 36 HB2 GLU 36 10.694 -26.573 -2.651 293 HB3 GLU 36 HB3 GLU 36 10.959 -26.733 -0.917 294 HG2 GLU 36 HG2 GLU 36 10.641 -29.222 -1.195 295 HG3 GLU 36 HG3 GLU 36 10.485 -28.971 -2.936 296 H VAL 37 H VAL 37 9.054 -29.378 -0.567 297 HA VAL 37 HA VAL 37 7.788 -29.294 1.975 298 HB VAL 37 HB VAL 37 8.670 -31.252 0.583 299 HG11 VAL 37 HG11 VAL 37 11.194 -30.913 2.231 300 HG12 VAL 37 HG12 VAL 37 10.768 -32.284 1.196 301 HG13 VAL 37 HG13 VAL 37 11.056 -30.709 0.462 302 HG21 VAL 37 HG23 VAL 37 9.070 -31.331 3.605 303 HG22 VAL 37 HG21 VAL 37 7.523 -31.476 2.745 304 HG23 VAL 37 HG22 VAL 37 8.759 -32.725 2.544 305 H LYS 38 H LYS 38 10.769 -28.024 0.974 306 HA LYS 38 HA LYS 38 12.024 -27.420 3.553 307 HB2 LYS 38 HB2 LYS 38 12.333 -26.304 0.733 308 HB3 LYS 38 HB3 LYS 38 13.206 -25.621 2.077 309 HG2 LYS 38 HG2 LYS 38 14.562 -27.107 0.765 310 HG3 LYS 38 HG3 LYS 38 14.483 -27.570 2.462 311 HD2 LYS 38 HD2 LYS 38 13.403 -29.575 2.024 312 HD3 LYS 38 HD3 LYS 38 12.608 -28.946 0.583 313 HE2 LYS 38 HE2 LYS 38 14.211 -30.607 -0.092 314 HE3 LYS 38 HE3 LYS 38 14.590 -29.029 -0.739 315 HZ1 LYS 38 HZ3 LYS 38 16.263 -28.733 0.926 316 HZ2 LYS 38 HZ1 LYS 38 15.935 -30.204 1.609 317 HZ3 LYS 38 HZ2 LYS 38 16.547 -30.109 0.071 318 H ASN 39 H ASN 39 9.112 -26.682 3.151 319 HA ASN 39 HA ASN 39 8.544 -23.967 3.156 320 HB2 ASN 39 HB2 ASN 39 6.943 -25.655 2.789 321 HB3 ASN 39 HB3 ASN 39 7.311 -26.503 4.309 322 HD21 ASN 39 HD22 ASN 39 6.034 -23.445 3.059 323 HD22 ASN 39 HD21 ASN 39 5.092 -23.127 4.522 324 H ALA 40 H ALA 40 10.205 -25.569 5.679 325 HA ALA 40 HA ALA 40 9.443 -24.040 7.975 326 HB1 ALA 40 HB3 ALA 40 10.623 -26.249 7.951 327 HB2 ALA 40 HB1 ALA 40 12.060 -25.454 7.264 328 HB3 ALA 40 HB2 ALA 40 11.488 -25.040 8.896 329 H MET 41 H MET 41 11.121 -22.754 9.145 330 HA MET 41 HA MET 41 12.516 -21.028 9.548 331 HB2 MET 41 HB2 MET 41 13.801 -21.761 6.898 332 HB3 MET 41 HB3 MET 41 14.512 -20.765 8.165 333 HG2 MET 41 HG2 MET 41 14.451 -22.674 9.731 334 HG3 MET 41 HG3 MET 41 13.696 -23.676 8.495 335 HE1 MET 41 HE3 MET 41 16.792 -21.110 8.119 336 HE2 MET 41 HE1 MET 41 16.953 -21.902 9.707 337 HE3 MET 41 HE2 MET 41 18.112 -22.263 8.407 338 H THR 42 H THR 42 10.966 -20.608 6.387 339 HA THR 42 HA THR 42 11.273 -17.658 6.619 340 HB THR 42 HB THR 42 9.531 -18.005 4.445 341 HG1 THR 42 HG1 THR 42 9.803 -20.210 4.380 342 HG21 THR 42 HG23 THR 42 11.540 -16.604 4.447 343 HG22 THR 42 HG21 THR 42 12.598 -18.033 4.547 344 HG23 THR 42 HG22 THR 42 11.629 -17.755 3.090 345 H GLU 43 H GLU 43 9.360 -16.372 6.136 346 HA GLU 43 HA GLU 43 7.178 -16.554 7.956 347 HB2 GLU 43 HB2 GLU 43 6.222 -14.867 6.325 348 HB3 GLU 43 HB3 GLU 43 7.799 -14.463 7.020 349 HG2 GLU 43 HG2 GLU 43 8.944 -14.768 5.011 350 HG3 GLU 43 HG3 GLU 43 7.739 -15.873 4.357 351 H THR 44 H THR 44 7.749 -18.503 5.383 352 HA THR 44 HA THR 44 5.415 -19.002 3.961 353 HB THR 44 HB THR 44 6.681 -21.176 3.530 354 HG1 THR 44 HG1 THR 44 8.024 -21.438 5.175 355 HG21 THR 44 HG23 THR 44 6.988 -19.577 1.868 356 HG22 THR 44 HG21 THR 44 7.717 -18.396 2.970 357 HG23 THR 44 HG22 THR 44 8.630 -19.811 2.427 358 H LEU 45 H LEU 45 4.127 -18.705 6.049 359 HA LEU 45 HA LEU 45 3.666 -20.566 7.943 360 HB2 LEU 45 HB2 LEU 45 1.207 -19.391 6.715 361 HB3 LEU 45 HB3 LEU 45 1.695 -19.496 8.401 362 HG LEU 45 HG LEU 45 2.833 -17.501 6.441 363 HD11 LEU 45 HD11 LEU 45 0.497 -17.212 8.286 364 HD12 LEU 45 HD12 LEU 45 1.325 -15.885 7.397 365 HD13 LEU 45 HD13 LEU 45 0.537 -17.180 6.502 366 HD21 LEU 45 HD23 LEU 45 2.719 -17.522 9.514 367 HD22 LEU 45 HD21 LEU 45 4.156 -17.964 8.565 368 HD23 LEU 45 HD22 LEU 45 3.537 -16.317 8.474 369 H LEU 46 H LEU 46 3.103 -21.470 4.693 370 HA LEU 46 HA LEU 46 1.847 -23.947 5.194 371 HB2 LEU 46 HB2 LEU 46 -0.366 -23.440 4.071 372 HB3 LEU 46 HB3 LEU 46 -0.155 -22.982 5.713 373 HG LEU 46 HG LEU 46 -1.192 -21.471 3.649 374 HD11 LEU 46 HD11 LEU 46 -0.480 -20.718 6.445 375 HD12 LEU 46 HD12 LEU 46 -1.487 -19.722 5.366 376 HD13 LEU 46 HD13 LEU 46 -2.006 -21.356 5.819 377 HD21 LEU 46 HD23 LEU 46 1.236 -19.865 4.480 378 HD22 LEU 46 HD21 LEU 46 1.044 -20.645 2.897 379 HD23 LEU 46 HD22 LEU 46 -0.089 -19.402 3.440 380 H VAL 47 H VAL 47 0.949 -24.931 3.017 381 HA VAL 47 HA VAL 47 2.790 -24.268 0.797 382 HB VAL 47 HB VAL 47 2.223 -27.063 1.840 383 HG11 VAL 47 HG11 VAL 47 4.440 -26.126 -0.013 384 HG12 VAL 47 HG12 VAL 47 4.104 -27.776 0.516 385 HG13 VAL 47 HG13 VAL 47 2.956 -26.949 -0.534 386 HG21 VAL 47 HG23 VAL 47 4.848 -25.663 2.236 387 HG22 VAL 47 HG21 VAL 47 3.593 -25.646 3.478 388 HG23 VAL 47 HG22 VAL 47 4.317 -27.170 2.910 389 H GLN 48 H GLN 48 1.719 -24.058 -1.087 390 HA GLN 48 HA GLN 48 -0.757 -24.586 -1.916 391 HB2 GLN 48 HB2 GLN 48 1.890 -24.912 -3.358 392 HB3 GLN 48 HB3 GLN 48 0.380 -25.292 -4.191 393 HG2 GLN 48 HG2 GLN 48 -0.509 -23.087 -3.764 394 HG3 GLN 48 HG3 GLN 48 0.881 -22.628 -2.826 395 HE21 GLN 48 HE22 GLN 48 0.734 -24.314 -6.093 396 HE22 GLN 48 HE21 GLN 48 1.793 -23.097 -6.806 397 H ASN 49 H ASN 49 1.590 -27.271 -1.615 398 HA ASN 49 HA ASN 49 -0.217 -29.104 -2.929 399 HB2 ASN 49 HB2 ASN 49 2.429 -29.034 -2.899 400 HB3 ASN 49 HB3 ASN 49 2.243 -30.051 -1.469 401 HD21 ASN 49 HD22 ASN 49 0.668 -31.843 -1.858 402 HD22 ASN 49 HD21 ASN 49 0.701 -32.627 -3.456 403 H ALA 50 H ALA 50 -1.299 -27.885 -0.492 404 HA ALA 50 HA ALA 50 -1.790 -29.783 1.535 405 HB1 ALA 50 HB3 ALA 50 -2.528 -27.391 1.487 406 HB2 ALA 50 HB1 ALA 50 -3.706 -27.799 0.228 407 HB3 ALA 50 HB2 ALA 50 -3.870 -28.491 1.858 408 H ASN 51 H ASN 51 -4.228 -30.709 1.747 409 HA ASN 51 HA ASN 51 -5.168 -32.225 -0.513 410 HB2 ASN 51 HB2 ASN 51 -2.932 -33.350 0.348 411 HB3 ASN 51 HB3 ASN 51 -3.904 -33.839 1.724 412 HD21 ASN 51 HD22 ASN 51 -3.859 -36.075 1.259 413 HD22 ASN 51 HD21 ASN 51 -4.643 -36.709 -0.200 414 HA PRO 52 HA PRO 52 -8.698 -31.617 1.703 415 HB2 PRO 52 HB2 PRO 52 -10.233 -33.878 2.211 416 HB3 PRO 52 HB3 PRO 52 -10.063 -33.055 0.630 417 HG2 PRO 52 HG2 PRO 52 -8.590 -35.474 1.655 418 HG3 PRO 52 HG3 PRO 52 -9.282 -35.200 0.027 419 HD2 PRO 52 HD2 PRO 52 -6.673 -34.892 0.622 420 HD3 PRO 52 HD3 PRO 52 -7.452 -33.849 -0.615 421 H ASP 53 H ASP 53 -7.352 -34.455 3.438 422 HA ASP 53 HA ASP 53 -8.657 -33.661 5.862 423 HB2 ASP 53 HB2 ASP 53 -6.529 -35.767 5.407 424 HB3 ASP 53 HB3 ASP 53 -7.486 -35.549 6.878 425 H CYS 54 H CYS 54 -5.377 -33.031 4.655 426 HA CYS 54 HA CYS 54 -4.159 -31.986 6.942 427 HB2 CYS 54 HB2 CYS 54 -2.685 -31.862 5.231 428 HB3 CYS 54 HB3 CYS 54 -3.969 -31.695 4.022 429 HG CYS 54 HG CYS 54 -2.511 -29.402 5.870 430 H LYS 55 H LYS 55 -6.342 -30.217 4.784 431 HA LYS 55 HA LYS 55 -6.687 -27.792 6.289 432 HB2 LYS 55 HB2 LYS 55 -8.744 -29.410 4.823 433 HB3 LYS 55 HB3 LYS 55 -8.989 -27.746 5.327 434 HG2 LYS 55 HG2 LYS 55 -7.877 -26.898 3.553 435 HG3 LYS 55 HG3 LYS 55 -6.533 -28.013 3.741 436 HD2 LYS 55 HD2 LYS 55 -7.641 -28.260 1.556 437 HD3 LYS 55 HD3 LYS 55 -7.679 -29.738 2.464 438 HE2 LYS 55 HE2 LYS 55 -10.029 -27.851 2.746 439 HE3 LYS 55 HE3 LYS 55 -9.867 -28.676 1.197 440 HZ1 LYS 55 HZ3 LYS 55 -10.226 -30.750 2.198 441 HZ2 LYS 55 HZ1 LYS 55 -9.844 -30.293 3.679 442 HZ3 LYS 55 HZ2 LYS 55 -11.278 -29.808 3.029 443 H THR 56 H THR 56 -8.685 -30.765 6.409 444 HA THR 56 HA THR 56 -10.426 -30.007 8.499 445 HB THR 56 HB THR 56 -9.549 -32.832 7.795 446 HG1 THR 56 HG1 THR 56 -10.998 -32.733 6.174 447 HG21 THR 56 HG23 THR 56 -11.139 -32.752 9.677 448 HG22 THR 56 HG21 THR 56 -12.222 -31.706 8.733 449 HG23 THR 56 HG22 THR 56 -11.927 -33.386 8.228 450 H ILE 57 H ILE 57 -7.222 -31.294 8.650 451 HA ILE 57 HA ILE 57 -7.423 -32.132 11.489 452 HB ILE 57 HB ILE 57 -5.236 -32.395 9.406 453 HG12 ILE 57 HG12 ILE 57 -6.692 -34.634 10.876 454 HG13 ILE 57 HG13 ILE 57 -7.394 -33.900 9.438 455 HG21 ILE 57 HG21 ILE 57 -5.189 -33.276 12.327 456 HG22 ILE 57 HG22 ILE 57 -4.029 -33.832 11.113 457 HG23 ILE 57 HG23 ILE 57 -4.062 -32.142 11.547 458 HD11 ILE 57 HD13 ILE 57 -5.275 -34.334 8.192 459 HD12 ILE 57 HD11 ILE 57 -4.677 -35.257 9.582 460 HD13 ILE 57 HD12 ILE 57 -6.123 -35.812 8.722 461 H LEU 58 H LEU 58 -4.945 -30.119 9.668 462 HA LEU 58 HA LEU 58 -3.815 -29.128 12.004 463 HB2 LEU 58 HB2 LEU 58 -3.942 -27.877 9.196 464 HB3 LEU 58 HB3 LEU 58 -2.914 -27.304 10.514 465 HG LEU 58 HG LEU 58 -2.124 -29.786 10.632 466 HD11 LEU 58 HD11 LEU 58 -2.965 -29.651 7.771 467 HD12 LEU 58 HD12 LEU 58 -1.876 -30.890 8.451 468 HD13 LEU 58 HD13 LEU 58 -3.539 -30.791 9.019 469 HD21 LEU 58 HD23 LEU 58 -1.361 -27.660 8.577 470 HD22 LEU 58 HD21 LEU 58 -0.495 -28.132 10.072 471 HD23 LEU 58 HD22 LEU 58 -0.450 -29.171 8.640 472 H LYS 59 H LYS 59 -6.622 -27.972 10.316 473 HA LYS 59 HA LYS 59 -7.096 -25.561 11.686 474 HB2 LYS 59 HB2 LYS 59 -8.975 -27.751 10.804 475 HB3 LYS 59 HB3 LYS 59 -9.584 -26.383 11.747 476 HG2 LYS 59 HG2 LYS 59 -8.414 -24.827 10.117 477 HG3 LYS 59 HG3 LYS 59 -8.099 -26.160 9.085 478 HD2 LYS 59 HD2 LYS 59 -10.095 -25.038 8.294 479 HD3 LYS 59 HD3 LYS 59 -10.542 -26.642 8.885 480 HE2 LYS 59 HE2 LYS 59 -12.184 -24.918 9.572 481 HE3 LYS 59 HE3 LYS 59 -11.410 -25.659 10.982 482 HZ1 LYS 59 HZ3 LYS 59 -10.532 -23.090 9.779 483 HZ2 LYS 59 HZ1 LYS 59 -11.448 -23.172 11.163 484 HZ3 LYS 59 HZ2 LYS 59 -9.986 -23.747 11.180 485 H ALA 60 H ALA 60 -7.227 -28.716 13.123 486 HA ALA 60 HA ALA 60 -7.531 -27.465 15.829 487 HB1 ALA 60 HB3 ALA 60 -9.406 -28.944 15.214 488 HB2 ALA 60 HB1 ALA 60 -8.264 -30.279 14.926 489 HB3 ALA 60 HB2 ALA 60 -8.465 -29.614 16.562 490 H LEU 61 H LEU 61 -5.165 -28.673 13.828 491 HA LEU 61 HA LEU 61 -3.445 -29.538 16.058 492 HB2 LEU 61 HB2 LEU 61 -4.642 -31.078 13.978 493 HB3 LEU 61 HB3 LEU 61 -2.971 -31.017 13.601 494 HG LEU 61 HG LEU 61 -4.150 -31.860 16.305 495 HD11 LEU 61 HD11 LEU 61 -3.019 -33.552 14.044 496 HD12 LEU 61 HD12 LEU 61 -3.486 -34.158 15.647 497 HD13 LEU 61 HD13 LEU 61 -4.719 -33.475 14.581 498 HD21 LEU 61 HD23 LEU 61 -1.298 -32.084 15.264 499 HD22 LEU 61 HD21 LEU 61 -1.845 -31.026 16.577 500 HD23 LEU 61 HD22 LEU 61 -1.899 -32.779 16.786 501 H GLY 62 H GLY 62 -3.497 -26.996 14.730 502 HA2 GLY 62 HA2 GLY 62 -0.873 -26.858 13.298 503 HA3 GLY 62 HA3 GLY 62 -2.188 -25.692 13.195 504 HA PRO 63 HA PRO 63 -0.012 -24.597 17.318 505 HB2 PRO 63 HB2 PRO 63 1.974 -26.110 18.426 506 HB3 PRO 63 HB3 PRO 63 0.270 -26.637 18.483 507 HG2 PRO 63 HG2 PRO 63 2.360 -27.420 16.410 508 HG3 PRO 63 HG3 PRO 63 1.367 -28.515 17.433 509 HD2 PRO 63 HD2 PRO 63 0.576 -27.840 14.914 510 HD3 PRO 63 HD3 PRO 63 -0.592 -27.999 16.258 511 H ALA 64 H ALA 64 0.918 -24.162 14.585 512 HA ALA 64 HA ALA 64 2.562 -23.272 13.279 513 HB1 ALA 64 HB3 ALA 64 1.826 -21.417 14.724 514 HB2 ALA 64 HB1 ALA 64 3.175 -21.761 15.839 515 HB3 ALA 64 HB2 ALA 64 3.502 -21.226 14.181 516 H ALA 65 H ALA 65 3.710 -25.589 15.242 517 HA ALA 65 HA ALA 65 6.455 -25.347 14.035 518 HB1 ALA 65 HB3 ALA 65 6.564 -24.779 16.434 519 HB2 ALA 65 HB1 ALA 65 5.744 -26.299 16.857 520 HB3 ALA 65 HB2 ALA 65 7.360 -26.331 16.111 521 H THR 66 H THR 66 4.562 -27.954 15.797 522 HA THR 66 HA THR 66 5.311 -30.003 14.040 523 HB THR 66 HB THR 66 2.475 -30.017 15.024 524 HG1 THR 66 HG1 THR 66 3.833 -30.754 17.043 525 HG21 THR 66 HG23 THR 66 3.482 -32.039 14.054 526 HG22 THR 66 HG21 THR 66 4.802 -31.989 15.228 527 HG23 THR 66 HG22 THR 66 3.126 -32.296 15.763 528 H LEU 67 H LEU 67 3.463 -27.306 13.183 529 HA LEU 67 HA LEU 67 1.671 -28.257 11.175 530 HB2 LEU 67 HB2 LEU 67 1.910 -26.048 12.186 531 HB3 LEU 67 HB3 LEU 67 3.398 -25.769 11.304 532 HG LEU 67 HG LEU 67 0.521 -25.675 10.286 533 HD11 LEU 67 HD11 LEU 67 3.015 -24.029 9.724 534 HD12 LEU 67 HD12 LEU 67 1.325 -23.629 9.332 535 HD13 LEU 67 HD13 LEU 67 1.850 -23.649 11.019 536 HD21 LEU 67 HD23 LEU 67 2.892 -26.325 8.565 537 HD22 LEU 67 HD21 LEU 67 1.373 -27.254 8.829 538 HD23 LEU 67 HD22 LEU 67 1.374 -25.664 7.991 539 H GLU 68 H GLU 68 5.141 -27.326 10.967 540 HA GLU 68 HA GLU 68 5.612 -27.605 8.258 541 HB2 GLU 68 HB2 GLU 68 7.444 -28.560 10.523 542 HB3 GLU 68 HB3 GLU 68 7.950 -28.201 8.850 543 HG2 GLU 68 HG2 GLU 68 7.037 -25.856 9.259 544 HG3 GLU 68 HG3 GLU 68 6.863 -26.340 10.951 545 H GLU 69 H GLU 69 5.349 -30.278 10.541 546 HA GLU 69 HA GLU 69 5.803 -32.245 8.337 547 HB2 GLU 69 HB2 GLU 69 5.395 -34.005 9.835 548 HB3 GLU 69 HB3 GLU 69 6.496 -32.838 10.576 549 HG2 GLU 69 HG2 GLU 69 4.906 -32.080 12.099 550 HG3 GLU 69 HG3 GLU 69 3.545 -32.837 11.278 551 H MET 70 H MET 70 3.015 -30.919 10.118 552 HA MET 70 HA MET 70 1.069 -32.865 9.262 553 HB2 MET 70 HB2 MET 70 0.812 -30.003 10.107 554 HB3 MET 70 HB3 MET 70 -0.526 -31.190 10.030 555 HG2 MET 70 HG2 MET 70 1.740 -31.909 11.684 556 HG3 MET 70 HG3 MET 70 0.867 -30.437 12.165 557 HE1 MET 70 HE3 MET 70 1.318 -33.952 12.972 558 HE2 MET 70 HE1 MET 70 1.065 -32.726 14.232 559 HE3 MET 70 HE2 MET 70 -0.049 -34.105 14.094 560 H MET 71 H MET 71 2.189 -29.945 7.943 561 HA MET 71 HA MET 71 0.393 -29.301 5.872 562 HB2 MET 71 HB2 MET 71 2.324 -27.981 6.813 563 HB3 MET 71 HB3 MET 71 3.451 -29.057 6.031 564 HG2 MET 71 HG2 MET 71 3.236 -27.025 4.849 565 HG3 MET 71 HG3 MET 71 2.633 -28.288 3.809 566 HE1 MET 71 HE3 MET 71 0.517 -28.150 2.535 567 HE2 MET 71 HE1 MET 71 -0.409 -28.722 3.931 568 HE3 MET 71 HE2 MET 71 -0.948 -27.289 3.044 569 H THR 72 H THR 72 3.250 -31.374 5.858 570 HA THR 72 HA THR 72 2.976 -32.209 3.054 571 HB THR 72 HB THR 72 4.836 -33.041 5.276 572 HG1 THR 72 HG1 THR 72 5.529 -31.043 4.959 573 HG21 THR 72 HG23 THR 72 5.049 -34.636 3.467 574 HG22 THR 72 HG21 THR 72 5.122 -33.338 2.253 575 HG23 THR 72 HG22 THR 72 6.454 -33.572 3.410 576 H ALA 73 H ALA 73 2.585 -33.652 6.318 577 HA ALA 73 HA ALA 73 2.835 -36.348 5.639 578 HB1 ALA 73 HB3 ALA 73 2.854 -35.460 7.938 579 HB2 ALA 73 HB1 ALA 73 1.123 -35.070 7.818 580 HB3 ALA 73 HB2 ALA 73 1.661 -36.764 7.780 581 H CYS 74 H CYS 74 0.066 -34.270 5.246 582 HA CYS 74 HA CYS 74 -1.826 -36.432 4.679 583 HB2 CYS 74 HB2 CYS 74 -2.326 -34.074 5.505 584 HB3 CYS 74 HB3 CYS 74 -2.113 -33.531 3.828 585 HG CYS 74 HG CYS 74 -3.976 -36.197 4.437 586 H GLN 75 H GLN 75 0.778 -35.561 2.739 587 HA GLN 75 HA GLN 75 -0.077 -35.360 0.142 588 HB2 GLN 75 HB2 GLN 75 2.095 -36.242 -0.508 589 HB3 GLN 75 HB3 GLN 75 2.198 -35.098 0.818 590 HG2 GLN 75 HG2 GLN 75 2.204 -37.254 2.353 591 HG3 GLN 75 HG3 GLN 75 2.633 -38.105 0.872 592 HE21 GLN 75 HE22 GLN 75 4.178 -37.634 3.395 593 HE22 GLN 75 HE21 GLN 75 5.658 -36.857 2.817 594 H GLY 76 H GLY 76 -1.796 -36.451 -0.628 595 HA2 GLY 76 HA2 GLY 76 -2.894 -38.181 -1.749 596 HA3 GLY 76 HA3 GLY 76 -1.530 -39.258 -1.429 597 H VAL 77 H VAL 77 -1.524 -38.954 1.436 598 HA VAL 77 HA VAL 77 -3.579 -40.692 2.415 599 HB VAL 77 HB VAL 77 -1.736 -38.905 4.054 600 HG11 VAL 77 HG11 VAL 77 -3.072 -41.590 4.670 601 HG12 VAL 77 HG12 VAL 77 -1.992 -40.681 5.751 602 HG13 VAL 77 HG13 VAL 77 -3.573 -40.023 5.340 603 HG21 VAL 77 HG23 VAL 77 -1.210 -41.697 2.943 604 HG22 VAL 77 HG21 VAL 77 -0.317 -40.207 2.550 605 HG23 VAL 77 HG22 VAL 77 -0.224 -40.871 4.175 606 H GLY 78 H GLY 78 -5.290 -39.382 1.394 607 HA2 GLY 78 HA2 GLY 78 -6.621 -37.582 3.377 608 HA3 GLY 78 HA3 GLY 78 -6.493 -37.105 1.677 609 H GLY 79 H GLY 79 -7.325 -40.036 3.474 610 HA2 GLY 79 HA2 GLY 79 -9.984 -40.460 2.694 611 HA3 GLY 79 HA3 GLY 79 -8.982 -41.234 1.455 612 HA PRO 80 HA PRO 80 -7.439 -43.391 5.423 613 HB2 PRO 80 HB2 PRO 80 -8.467 -42.875 7.919 614 HB3 PRO 80 HB3 PRO 80 -7.248 -41.851 7.112 615 HG2 PRO 80 HG2 PRO 80 -10.263 -41.463 7.137 616 HG3 PRO 80 HG3 PRO 80 -8.992 -40.269 7.572 617 HD2 PRO 80 HD2 PRO 80 -10.068 -40.294 5.093 618 HD3 PRO 80 HD3 PRO 80 -8.317 -40.027 5.332 619 H GLY 81 H GLY 81 -10.406 -43.821 4.180 620 HA2 GLY 81 HA2 GLY 81 -10.560 -46.518 5.089 621 HA3 GLY 81 HA3 GLY 81 -11.862 -45.587 5.835 622 H HIS 82 H HIS 82 -12.219 -47.772 4.014 623 HA HIS 82 HA HIS 82 -12.660 -46.861 1.351 624 HB2 HIS 82 HB2 HIS 82 -13.619 -48.964 0.894 625 HB3 HIS 82 HB3 HIS 82 -12.256 -49.218 1.964 626 HD2 HIS 82 HD2 HIS 82 -14.445 -48.465 4.609 627 HE1 HIS 82 HE1 HIS 82 -15.874 -52.321 3.500 628 HE2 HIS 82 HE2 HIS 82 -15.875 -50.542 5.332 629 H LYS 83 H LYS 83 -14.320 -45.981 0.283 630 HA LYS 83 HA LYS 83 -17.064 -45.960 1.338 631 HB2 LYS 83 HB2 LYS 83 -15.549 -44.076 2.332 632 HB3 LYS 83 HB3 LYS 83 -15.574 -43.366 0.735 633 HG2 LYS 83 HG2 LYS 83 -18.024 -43.939 2.490 634 HG3 LYS 83 HG3 LYS 83 -17.173 -42.396 2.405 635 HD2 LYS 83 HD2 LYS 83 -17.724 -42.310 -0.074 636 HD3 LYS 83 HD3 LYS 83 -18.736 -43.738 0.180 637 HE2 LYS 83 HE2 LYS 83 -20.186 -41.894 0.181 638 HE3 LYS 83 HE3 LYS 83 -20.098 -42.505 1.839 639 HZ1 LYS 83 HZ3 LYS 83 -18.550 -40.706 2.346 640 HZ2 LYS 83 HZ1 LYS 83 -18.598 -40.167 0.794 641 HZ3 LYS 83 HZ2 LYS 83 -19.940 -40.074 1.740 642 H ALA 84 H ALA 84 -18.438 -46.111 -0.415 643 HA ALA 84 HA ALA 84 -17.659 -46.325 -3.093 644 HB1 ALA 84 HB3 ALA 84 -19.810 -47.112 -2.200 645 HB2 ALA 84 HB1 ALA 84 -20.331 -45.430 -1.927 646 HB3 ALA 84 HB2 ALA 84 -20.071 -46.025 -3.577 647 H ARG 85 H ARG 85 -17.303 -44.983 -4.750 648 HA ARG 85 HA ARG 85 -16.880 -42.128 -4.389 649 HB2 ARG 85 HB2 ARG 85 -15.607 -43.792 -5.909 650 HB3 ARG 85 HB3 ARG 85 -16.988 -43.702 -7.005 651 HG2 ARG 85 HG2 ARG 85 -16.558 -41.240 -7.295 652 HG3 ARG 85 HG3 ARG 85 -15.237 -41.360 -6.133 653 HD2 ARG 85 HD2 ARG 85 -13.889 -41.727 -7.862 654 HD3 ARG 85 HD3 ARG 85 -14.622 -43.332 -8.018 655 HE ARG 85 HE ARG 85 -16.221 -41.341 -9.417 656 HH11 ARG 85 HH11 ARG 85 -13.167 -42.995 -9.822 657 HH12 ARG 85 HH12 ARG 85 -13.194 -42.755 -11.560 658 HH21 ARG 85 HH21 ARG 85 -16.254 -41.200 -11.562 659 HH22 ARG 85 HH22 ARG 85 -14.951 -41.795 -12.536 660 H VAL 86 H VAL 86 -17.784 -40.609 -5.979 661 HA VAL 86 HA VAL 86 -20.717 -40.795 -6.422 662 HB VAL 86 HB VAL 86 -20.429 -38.478 -7.318 663 HG11 VAL 86 HG11 VAL 86 -19.331 -38.832 -4.506 664 HG12 VAL 86 HG12 VAL 86 -20.092 -37.377 -5.182 665 HG13 VAL 86 HG13 VAL 86 -21.047 -38.855 -4.970 666 HG21 VAL 86 HG23 VAL 86 -17.562 -38.609 -6.263 667 HG22 VAL 86 HG21 VAL 86 -18.001 -38.632 -7.983 668 HG23 VAL 86 HG22 VAL 86 -18.385 -37.221 -6.993 669 H LEU 87 H LEU 87 -20.504 -39.347 -8.984 670 HA LEU 87 HA LEU 87 -20.128 -41.421 -10.921 671 HB2 LEU 87 HB2 LEU 87 -20.305 -38.378 -11.068 672 HB3 LEU 87 HB3 LEU 87 -20.025 -39.381 -12.479 673 HG LEU 87 HG LEU 87 -22.162 -40.571 -12.131 674 HD11 LEU 87 HD11 LEU 87 -22.596 -38.520 -9.915 675 HD12 LEU 87 HD12 LEU 87 -23.887 -39.492 -10.662 676 HD13 LEU 87 HD13 LEU 87 -22.606 -40.297 -9.761 677 HD21 LEU 87 HD23 LEU 87 -22.370 -37.534 -12.275 678 HD22 LEU 87 HD21 LEU 87 -21.961 -38.619 -13.624 679 HD23 LEU 87 HD22 LEU 87 -23.567 -38.702 -12.885 Start of MODEL 6 1 H1 MET 1 H1 MET 1 4.426 -0.591 -7.199 2 H2 MET 1 H2 MET 1 5.972 -0.459 -7.701 3 H3 MET 1 H3 MET 1 5.042 0.906 -7.545 4 HA MET 1 HA MET 1 6.571 0.772 -5.705 5 HB2 MET 1 HB2 MET 1 3.713 0.034 -4.918 6 HB3 MET 1 HB3 MET 1 4.942 0.659 -3.806 7 HG2 MET 1 HG2 MET 1 5.124 2.733 -5.098 8 HG3 MET 1 HG3 MET 1 3.885 2.157 -6.227 9 HE1 MET 1 HE3 MET 1 3.814 4.976 -4.619 10 HE2 MET 1 HE1 MET 1 2.578 4.481 -5.804 11 HE3 MET 1 HE2 MET 1 2.092 5.031 -4.187 12 H SER 2 H SER 2 5.993 -0.937 -3.330 13 HA SER 2 HA SER 2 7.481 -3.256 -3.749 14 HB2 SER 2 HB2 SER 2 5.166 -2.945 -1.798 15 HB3 SER 2 HB3 SER 2 6.640 -3.901 -1.583 16 HG SER 2 HG SER 2 6.828 -1.974 -0.462 17 HA PRO 3 HA PRO 3 4.510 -6.232 -5.477 18 HB2 PRO 3 HB2 PRO 3 5.299 -8.587 -4.304 19 HB3 PRO 3 HB3 PRO 3 6.253 -7.767 -5.574 20 HG2 PRO 3 HG2 PRO 3 6.638 -7.619 -2.572 21 HG3 PRO 3 HG3 PRO 3 7.878 -7.911 -3.835 22 HD2 PRO 3 HD2 PRO 3 7.487 -5.460 -2.771 23 HD3 PRO 3 HD3 PRO 3 7.898 -5.668 -4.495 24 H THR 4 H THR 4 2.766 -7.771 -4.711 25 HA THR 4 HA THR 4 1.495 -6.841 -2.219 26 HB THR 4 HB THR 4 -0.399 -8.358 -2.993 27 HG1 THR 4 HG1 THR 4 -0.297 -8.426 -5.370 28 HG21 THR 4 HG23 THR 4 -0.419 -5.915 -3.256 29 HG22 THR 4 HG21 THR 4 0.451 -6.054 -4.798 30 HG23 THR 4 HG22 THR 4 -1.199 -6.712 -4.626 31 H SER 5 H SER 5 3.461 -7.750 -1.120 32 HA SER 5 HA SER 5 3.809 -10.505 -0.552 33 HB2 SER 5 HB2 SER 5 3.989 -8.158 1.375 34 HB3 SER 5 HB3 SER 5 4.681 -9.771 1.625 35 HG SER 5 HG SER 5 6.082 -9.404 -0.107 36 H ILE 6 H ILE 6 2.570 -11.958 0.429 37 HA ILE 6 HA ILE 6 -0.094 -11.654 0.735 38 HB ILE 6 HB ILE 6 -0.227 -13.837 1.311 39 HG12 ILE 6 HG12 ILE 6 1.601 -15.055 2.685 40 HG13 ILE 6 HG13 ILE 6 2.112 -13.489 3.239 41 HG21 ILE 6 HG21 ILE 6 2.741 -13.809 0.689 42 HG22 ILE 6 HG22 ILE 6 1.553 -15.098 0.366 43 HG23 ILE 6 HG23 ILE 6 1.460 -13.587 -0.542 44 HD11 ILE 6 HD13 ILE 6 0.025 -13.162 4.439 45 HD12 ILE 6 HD11 ILE 6 -0.799 -14.411 3.491 46 HD13 ILE 6 HD12 ILE 6 0.443 -14.850 4.691 47 H LEU 7 H LEU 7 2.191 -11.104 3.251 48 HA LEU 7 HA LEU 7 0.610 -10.960 5.566 49 HB2 LEU 7 HB2 LEU 7 2.474 -9.538 6.453 50 HB3 LEU 7 HB3 LEU 7 2.935 -11.072 5.739 51 HG LEU 7 HG LEU 7 3.681 -9.901 3.669 52 HD11 LEU 7 HD11 LEU 7 3.122 -7.366 5.263 53 HD12 LEU 7 HD12 LEU 7 4.128 -7.442 3.795 54 HD13 LEU 7 HD13 LEU 7 2.413 -7.825 3.700 55 HD21 LEU 7 HD23 LEU 7 4.958 -8.912 6.239 56 HD22 LEU 7 HD21 LEU 7 5.254 -10.484 5.456 57 HD23 LEU 7 HD22 LEU 7 5.729 -8.990 4.638 58 H ASP 8 H ASP 8 -0.128 -9.207 3.034 59 HA ASP 8 HA ASP 8 -1.105 -6.675 4.195 60 HB2 ASP 8 HB2 ASP 8 -0.289 -6.898 1.866 61 HB3 ASP 8 HB3 ASP 8 -1.473 -8.149 1.546 62 H ILE 9 H ILE 9 -2.269 -9.975 3.594 63 HA ILE 9 HA ILE 9 -5.090 -9.090 3.953 64 HB ILE 9 HB ILE 9 -5.823 -10.839 2.687 65 HG12 ILE 9 HG12 ILE 9 -3.090 -12.090 2.309 66 HG13 ILE 9 HG13 ILE 9 -4.126 -12.591 3.645 67 HG21 ILE 9 HG21 ILE 9 -3.326 -9.883 1.251 68 HG22 ILE 9 HG22 ILE 9 -4.875 -10.375 0.533 69 HG23 ILE 9 HG23 ILE 9 -4.768 -8.898 1.499 70 HD11 ILE 9 HD13 ILE 9 -5.942 -13.113 2.037 71 HD12 ILE 9 HD11 ILE 9 -4.863 -12.683 0.690 72 HD13 ILE 9 HD12 ILE 9 -4.471 -14.062 1.733 73 H ARG 10 H ARG 10 -6.527 -11.158 4.528 74 HA ARG 10 HA ARG 10 -6.261 -11.736 7.300 75 HB2 ARG 10 HB2 ARG 10 -8.011 -13.392 7.008 76 HB3 ARG 10 HB3 ARG 10 -8.404 -11.904 6.150 77 HG2 ARG 10 HG2 ARG 10 -9.034 -13.350 4.526 78 HG3 ARG 10 HG3 ARG 10 -7.354 -13.235 4.066 79 HD2 ARG 10 HD2 ARG 10 -7.178 -15.449 4.211 80 HD3 ARG 10 HD3 ARG 10 -7.416 -15.391 5.943 81 HE ARG 10 HE ARG 10 -9.951 -15.387 5.395 82 HH11 ARG 10 HH11 ARG 10 -7.748 -17.256 3.296 83 HH12 ARG 10 HH12 ARG 10 -9.137 -18.176 2.703 84 HH21 ARG 10 HH21 ARG 10 -11.539 -16.729 4.456 85 HH22 ARG 10 HH22 ARG 10 -10.982 -17.945 3.319 86 H GLN 11 H GLN 11 -4.960 -12.982 8.348 87 HA GLN 11 HA GLN 11 -3.811 -15.389 7.097 88 HB2 GLN 11 HB2 GLN 11 -2.242 -15.500 8.878 89 HB3 GLN 11 HB3 GLN 11 -2.254 -13.848 8.254 90 HG2 GLN 11 HG2 GLN 11 -3.870 -13.290 10.162 91 HG3 GLN 11 HG3 GLN 11 -3.527 -14.883 10.824 92 HE21 GLN 11 HE22 GLN 11 -1.961 -11.731 9.999 93 HE22 GLN 11 HE21 GLN 11 -0.659 -12.002 11.154 94 H GLY 12 H GLY 12 -4.081 -17.333 7.985 95 HA2 GLY 12 HA2 GLY 12 -6.125 -17.992 9.986 96 HA3 GLY 12 HA3 GLY 12 -6.578 -18.240 8.281 97 HA PRO 13 HA PRO 13 -2.823 -21.278 9.131 98 HB2 PRO 13 HB2 PRO 13 -1.640 -21.347 11.596 99 HB3 PRO 13 HB3 PRO 13 -1.304 -20.068 10.414 100 HG2 PRO 13 HG2 PRO 13 -3.358 -19.955 12.654 101 HG3 PRO 13 HG3 PRO 13 -2.008 -18.804 12.344 102 HD2 PRO 13 HD2 PRO 13 -4.500 -18.350 11.443 103 HD3 PRO 13 HD3 PRO 13 -3.077 -17.961 10.425 104 H LYS 14 H LYS 14 -5.708 -21.586 9.792 105 HA LYS 14 HA LYS 14 -5.664 -24.117 11.389 106 HB2 LYS 14 HB2 LYS 14 -7.557 -21.769 11.786 107 HB3 LYS 14 HB3 LYS 14 -7.697 -23.377 12.503 108 HG2 LYS 14 HG2 LYS 14 -5.487 -23.041 13.635 109 HG3 LYS 14 HG3 LYS 14 -5.482 -21.368 13.034 110 HD2 LYS 14 HD2 LYS 14 -7.629 -20.936 14.242 111 HD3 LYS 14 HD3 LYS 14 -7.642 -22.615 14.790 112 HE2 LYS 14 HE2 LYS 14 -6.840 -21.385 16.627 113 HE3 LYS 14 HE3 LYS 14 -5.443 -22.223 15.947 114 HZ1 LYS 14 HZ3 LYS 14 -4.818 -20.127 14.859 115 HZ2 LYS 14 HZ1 LYS 14 -6.130 -19.363 15.499 116 HZ3 LYS 14 HZ2 LYS 14 -4.938 -19.918 16.481 117 H GLU 15 H GLU 15 -8.766 -23.193 10.829 118 HA GLU 15 HA GLU 15 -9.615 -25.299 9.337 119 HB2 GLU 15 HB2 GLU 15 -10.926 -22.576 9.064 120 HB3 GLU 15 HB3 GLU 15 -11.675 -24.143 8.988 121 HG2 GLU 15 HG2 GLU 15 -10.445 -22.904 11.503 122 HG3 GLU 15 HG3 GLU 15 -12.139 -22.800 11.046 123 HA PRO 16 HA PRO 16 -9.804 -23.100 5.220 124 HB2 PRO 16 HB2 PRO 16 -8.904 -20.625 4.646 125 HB3 PRO 16 HB3 PRO 16 -10.258 -20.853 5.783 126 HG2 PRO 16 HG2 PRO 16 -7.315 -20.525 6.458 127 HG3 PRO 16 HG3 PRO 16 -8.695 -19.567 7.091 128 HD2 PRO 16 HD2 PRO 16 -7.669 -21.751 8.393 129 HD3 PRO 16 HD3 PRO 16 -9.391 -21.304 8.478 130 H PHE 17 H PHE 17 -7.313 -24.554 6.242 131 HA PHE 17 HA PHE 17 -4.922 -23.796 5.143 132 HB2 PHE 17 HB2 PHE 17 -6.054 -26.301 5.956 133 HB3 PHE 17 HB3 PHE 17 -5.234 -26.559 4.456 134 HD1 PHE 17 HD2 PHE 17 -4.536 -24.664 7.667 135 HD2 PHE 17 HD1 PHE 17 -3.053 -27.582 4.834 136 HE1 PHE 17 HE2 PHE 17 -2.353 -24.712 8.826 137 HE2 PHE 17 HE1 PHE 17 -0.851 -27.554 5.989 138 HZ PHE 17 HZ PHE 17 -0.511 -26.083 7.954 139 H ARG 18 H ARG 18 -7.216 -25.751 3.168 140 HA ARG 18 HA ARG 18 -5.944 -25.341 0.636 141 HB2 ARG 18 HB2 ARG 18 -8.486 -25.684 -0.171 142 HB3 ARG 18 HB3 ARG 18 -7.357 -26.931 0.202 143 HG2 ARG 18 HG2 ARG 18 -9.592 -27.414 0.958 144 HG3 ARG 18 HG3 ARG 18 -8.427 -27.487 2.262 145 HD2 ARG 18 HD2 ARG 18 -9.279 -25.533 3.314 146 HD3 ARG 18 HD3 ARG 18 -10.088 -25.015 1.839 147 HE ARG 18 HE ARG 18 -11.908 -25.892 2.822 148 HH11 ARG 18 HH11 ARG 18 -9.560 -28.555 3.287 149 HH12 ARG 18 HH12 ARG 18 -10.840 -29.629 3.712 150 HH21 ARG 18 HH21 ARG 18 -13.363 -27.319 3.439 151 HH22 ARG 18 HH22 ARG 18 -12.898 -28.930 3.888 152 H ASP 19 H ASP 19 -8.673 -23.730 1.996 153 HA ASP 19 HA ASP 19 -9.206 -21.929 -0.152 154 HB2 ASP 19 HB2 ASP 19 -10.934 -22.396 1.481 155 HB3 ASP 19 HB3 ASP 19 -9.950 -21.720 2.786 156 H TYR 20 H TYR 20 -6.782 -21.739 2.255 157 HA TYR 20 HA TYR 20 -6.215 -18.897 1.560 158 HB2 TYR 20 HB2 TYR 20 -6.801 -19.432 3.901 159 HB3 TYR 20 HB3 TYR 20 -5.444 -20.544 3.972 160 HD1 TYR 20 HD2 TYR 20 -4.978 -17.257 2.225 161 HD2 TYR 20 HD1 TYR 20 -4.656 -19.444 5.939 162 HE1 TYR 20 HE2 TYR 20 -3.345 -15.597 3.077 163 HE2 TYR 20 HE1 TYR 20 -2.906 -17.848 6.706 164 HH TYR 20 HH TYR 20 -1.593 -16.049 6.132 165 H VAL 21 H VAL 21 -4.597 -22.148 1.806 166 HA VAL 21 HA VAL 21 -1.989 -21.281 1.185 167 HB VAL 21 HB VAL 21 -2.507 -23.554 1.956 168 HG11 VAL 21 HG11 VAL 21 -3.188 -24.399 -0.875 169 HG12 VAL 21 HG12 VAL 21 -3.364 -25.290 0.672 170 HG13 VAL 21 HG13 VAL 21 -4.422 -23.943 0.280 171 HG21 VAL 21 HG23 VAL 21 -0.914 -23.397 -0.604 172 HG22 VAL 21 HG21 VAL 21 -0.327 -23.306 1.085 173 HG23 VAL 21 HG22 VAL 21 -1.014 -24.796 0.425 174 H ASP 22 H ASP 22 -4.620 -22.146 -1.113 175 HA ASP 22 HA ASP 22 -3.308 -21.928 -3.508 176 HB2 ASP 22 HB2 ASP 22 -6.000 -21.047 -2.469 177 HB3 ASP 22 HB3 ASP 22 -5.616 -20.986 -4.157 178 H ARG 23 H ARG 23 -4.815 -19.450 -1.690 179 HA ARG 23 HA ARG 23 -4.418 -17.201 -3.479 180 HB2 ARG 23 HB2 ARG 23 -5.143 -16.812 -0.560 181 HB3 ARG 23 HB3 ARG 23 -5.855 -16.067 -1.999 182 HG2 ARG 23 HG2 ARG 23 -6.296 -18.816 -0.875 183 HG3 ARG 23 HG3 ARG 23 -7.351 -17.403 -0.779 184 HD2 ARG 23 HD2 ARG 23 -7.445 -17.407 -3.290 185 HD3 ARG 23 HD3 ARG 23 -6.633 -18.983 -3.290 186 HE ARG 23 HE ARG 23 -8.712 -18.704 -1.352 187 HH11 ARG 23 HH11 ARG 23 -7.864 -20.228 -4.356 188 HH12 ARG 23 HH12 ARG 23 -8.523 -21.698 -3.843 189 HH21 ARG 23 HH21 ARG 23 -10.426 -20.248 -1.295 190 HH22 ARG 23 HH22 ARG 23 -10.407 -21.486 -2.537 191 H PHE 24 H PHE 24 -2.913 -18.449 -0.677 192 HA PHE 24 HA PHE 24 -1.034 -16.301 -0.092 193 HB2 PHE 24 HB2 PHE 24 -1.710 -17.818 1.653 194 HB3 PHE 24 HB3 PHE 24 -1.298 -19.224 0.694 195 HD1 PHE 24 HD1 PHE 24 1.099 -19.768 0.172 196 HD2 PHE 24 HD2 PHE 24 -0.059 -16.961 3.213 197 HE1 PHE 24 HE1 PHE 24 3.430 -19.563 0.843 198 HE2 PHE 24 HE2 PHE 24 2.249 -17.009 4.107 199 HZ PHE 24 HZ PHE 24 4.088 -18.190 2.779 200 H TYR 25 H TYR 25 -0.527 -19.582 -1.592 201 HA TYR 25 HA TYR 25 2.179 -18.940 -2.254 202 HB2 TYR 25 HB2 TYR 25 0.420 -21.252 -2.828 203 HB3 TYR 25 HB3 TYR 25 1.765 -20.993 -3.903 204 HD1 TYR 25 HD2 TYR 25 4.149 -21.182 -3.135 205 HD2 TYR 25 HD1 TYR 25 0.878 -22.041 -0.447 206 HE1 TYR 25 HE2 TYR 25 5.624 -22.681 -1.751 207 HE2 TYR 25 HE1 TYR 25 2.309 -23.569 0.808 208 HH TYR 25 HH TYR 25 4.351 -24.634 0.941 209 H LYS 26 H LYS 26 -0.773 -18.296 -4.012 210 HA LYS 26 HA LYS 26 0.196 -17.610 -6.565 211 HB2 LYS 26 HB2 LYS 26 -2.043 -17.847 -6.389 212 HB3 LYS 26 HB3 LYS 26 -2.173 -17.032 -4.857 213 HG2 LYS 26 HG2 LYS 26 -1.594 -15.327 -7.279 214 HG3 LYS 26 HG3 LYS 26 -3.191 -16.033 -7.078 215 HD2 LYS 26 HD2 LYS 26 -3.493 -15.024 -4.891 216 HD3 LYS 26 HD3 LYS 26 -1.844 -14.428 -4.871 217 HE2 LYS 26 HE2 LYS 26 -3.321 -12.599 -5.380 218 HE3 LYS 26 HE3 LYS 26 -2.333 -12.949 -6.802 219 HZ1 LYS 26 HZ3 LYS 26 -4.237 -14.152 -7.737 220 HZ2 LYS 26 HZ1 LYS 26 -5.146 -13.814 -6.409 221 HZ3 LYS 26 HZ2 LYS 26 -4.653 -12.600 -7.402 222 H THR 27 H THR 27 0.676 -15.659 -3.633 223 HA THR 27 HA THR 27 2.210 -13.757 -5.381 224 HB THR 27 HB THR 27 1.842 -12.020 -3.557 225 HG1 THR 27 HG1 THR 27 0.074 -12.176 -2.375 226 HG21 THR 27 HG23 THR 27 0.964 -11.656 -5.742 227 HG22 THR 27 HG21 THR 27 -0.346 -12.827 -5.494 228 HG23 THR 27 HG22 THR 27 -0.328 -11.292 -4.591 229 H LEU 28 H LEU 28 2.227 -15.618 -2.357 230 HA LEU 28 HA LEU 28 4.737 -14.803 -1.355 231 HB2 LEU 28 HB2 LEU 28 3.266 -16.334 -0.224 232 HB3 LEU 28 HB3 LEU 28 3.405 -17.516 -1.492 233 HG LEU 28 HG LEU 28 4.692 -17.761 0.680 234 HD11 LEU 28 HD11 LEU 28 6.076 -18.312 -1.934 235 HD12 LEU 28 HD12 LEU 28 6.473 -19.034 -0.351 236 HD13 LEU 28 HD13 LEU 28 4.905 -19.324 -1.102 237 HD21 LEU 28 HD23 LEU 28 6.813 -16.027 -0.430 238 HD22 LEU 28 HD21 LEU 28 5.604 -15.509 0.754 239 HD23 LEU 28 HD22 LEU 28 6.664 -16.845 1.144 240 H ARG 29 H ARG 29 4.028 -17.063 -4.059 241 HA ARG 29 HA ARG 29 6.705 -17.665 -4.720 242 HB2 ARG 29 HB2 ARG 29 5.864 -18.521 -6.818 243 HB3 ARG 29 HB3 ARG 29 4.800 -18.947 -5.492 244 HG2 ARG 29 HG2 ARG 29 3.235 -18.291 -7.034 245 HG3 ARG 29 HG3 ARG 29 3.499 -16.769 -6.184 246 HD2 ARG 29 HD2 ARG 29 5.285 -16.448 -8.195 247 HD3 ARG 29 HD3 ARG 29 4.181 -17.561 -8.988 248 HE ARG 29 HE ARG 29 2.350 -15.912 -8.141 249 HH11 ARG 29 HH11 ARG 29 5.546 -14.707 -9.008 250 HH12 ARG 29 HH12 ARG 29 4.958 -13.088 -9.234 251 HH21 ARG 29 HH21 ARG 29 1.703 -13.943 -8.354 252 HH22 ARG 29 HH22 ARG 29 2.771 -12.654 -8.887 253 H ALA 30 H ALA 30 5.578 -14.491 -4.824 254 HA ALA 30 HA ALA 30 7.047 -13.700 -7.237 255 HB1 ALA 30 HB3 ALA 30 5.176 -12.325 -6.320 256 HB2 ALA 30 HB1 ALA 30 6.095 -12.103 -4.813 257 HB3 ALA 30 HB2 ALA 30 6.715 -11.426 -6.324 258 H GLU 31 H GLU 31 7.778 -14.176 -3.790 259 HA GLU 31 HA GLU 31 10.602 -13.310 -4.281 260 HB2 GLU 31 HB2 GLU 31 9.370 -13.756 -1.565 261 HB3 GLU 31 HB3 GLU 31 10.702 -12.716 -2.025 262 HG2 GLU 31 HG2 GLU 31 7.716 -12.265 -2.443 263 HG3 GLU 31 HG3 GLU 31 8.776 -11.414 -1.338 264 H GLN 32 H GLN 32 8.757 -15.796 -2.473 265 HA GLN 32 HA GLN 32 11.036 -17.519 -1.987 266 HB2 GLN 32 HB2 GLN 32 8.063 -17.531 -1.582 267 HB3 GLN 32 HB3 GLN 32 8.891 -19.065 -1.428 268 HG2 GLN 32 HG2 GLN 32 8.473 -17.946 0.732 269 HG3 GLN 32 HG3 GLN 32 10.170 -18.340 0.399 270 HE21 GLN 32 HE22 GLN 32 8.349 -15.812 1.864 271 HE22 GLN 32 HE21 GLN 32 9.443 -14.554 1.387 272 H ALA 33 H ALA 33 8.872 -17.221 -4.522 273 HA ALA 33 HA ALA 33 8.226 -18.395 -6.403 274 HB1 ALA 33 HB3 ALA 33 10.107 -16.935 -6.810 275 HB2 ALA 33 HB1 ALA 33 11.242 -18.280 -6.516 276 HB3 ALA 33 HB2 ALA 33 10.135 -18.320 -7.910 277 H SER 34 H SER 34 8.873 -20.572 -4.239 278 HA SER 34 HA SER 34 8.833 -22.895 -6.119 279 HB2 SER 34 HB2 SER 34 11.064 -22.394 -5.093 280 HB3 SER 34 HB3 SER 34 10.354 -22.683 -3.495 281 HG SER 34 HG SER 34 11.422 -24.522 -4.513 282 H GLN 35 H GLN 35 8.525 -24.917 -4.378 283 HA GLN 35 HA GLN 35 6.072 -24.552 -2.741 284 HB2 GLN 35 HB2 GLN 35 5.479 -24.870 -5.162 285 HB3 GLN 35 HB3 GLN 35 6.299 -26.413 -5.134 286 HG2 GLN 35 HG2 GLN 35 3.878 -26.682 -5.013 287 HG3 GLN 35 HG3 GLN 35 4.635 -27.345 -3.578 288 HE21 GLN 35 HE22 GLN 35 3.404 -24.087 -4.579 289 HE22 GLN 35 HE21 GLN 35 2.515 -23.862 -3.071 290 H GLU 36 H GLU 36 8.435 -24.981 -1.573 291 HA GLU 36 HA GLU 36 8.846 -27.934 -1.293 292 HB2 GLU 36 HB2 GLU 36 10.662 -26.395 -2.336 293 HB3 GLU 36 HB3 GLU 36 10.893 -25.774 -0.694 294 HG2 GLU 36 HG2 GLU 36 11.224 -28.183 0.024 295 HG3 GLU 36 HG3 GLU 36 11.206 -28.637 -1.684 296 H VAL 37 H VAL 37 9.576 -28.751 0.760 297 HA VAL 37 HA VAL 37 8.349 -28.129 3.206 298 HB VAL 37 HB VAL 37 10.912 -29.517 2.420 299 HG11 VAL 37 HG11 VAL 37 9.924 -29.206 5.275 300 HG12 VAL 37 HG12 VAL 37 11.148 -30.381 4.734 301 HG13 VAL 37 HG13 VAL 37 11.478 -28.646 4.604 302 HG21 VAL 37 HG23 VAL 37 8.335 -30.506 3.704 303 HG22 VAL 37 HG21 VAL 37 8.711 -30.591 1.965 304 HG23 VAL 37 HG22 VAL 37 9.681 -31.507 3.131 305 H LYS 38 H LYS 38 11.007 -26.426 1.738 306 HA LYS 38 HA LYS 38 12.094 -24.965 3.936 307 HB2 LYS 38 HB2 LYS 38 11.287 -23.944 1.207 308 HB3 LYS 38 HB3 LYS 38 12.421 -23.149 2.314 309 HG2 LYS 38 HG2 LYS 38 12.818 -25.720 0.790 310 HG3 LYS 38 HG3 LYS 38 13.597 -24.168 0.479 311 HD2 LYS 38 HD2 LYS 38 14.577 -24.461 2.898 312 HD3 LYS 38 HD3 LYS 38 14.104 -26.155 2.711 313 HE2 LYS 38 HE2 LYS 38 16.061 -24.539 1.020 314 HE3 LYS 38 HE3 LYS 38 16.431 -25.915 2.062 315 HZ1 LYS 38 HZ3 LYS 38 15.069 -27.308 0.467 316 HZ2 LYS 38 HZ1 LYS 38 14.811 -26.082 -0.454 317 HZ3 LYS 38 HZ2 LYS 38 16.351 -26.605 -0.293 318 H ASN 39 H ASN 39 8.887 -24.853 2.649 319 HA ASN 39 HA ASN 39 7.494 -22.700 3.415 320 HB2 ASN 39 HB2 ASN 39 6.358 -24.638 2.657 321 HB3 ASN 39 HB3 ASN 39 7.194 -25.698 3.788 322 HD21 ASN 39 HD22 ASN 39 4.245 -23.966 3.304 323 HD22 ASN 39 HD21 ASN 39 3.799 -24.055 4.987 324 H ALA 40 H ALA 40 8.795 -25.040 5.800 325 HA ALA 40 HA ALA 40 7.776 -24.066 8.166 326 HB1 ALA 40 HB3 ALA 40 9.008 -26.157 7.911 327 HB2 ALA 40 HB1 ALA 40 10.504 -25.278 7.516 328 HB3 ALA 40 HB2 ALA 40 9.821 -25.169 9.140 329 H MET 41 H MET 41 10.542 -22.711 6.417 330 HA MET 41 HA MET 41 11.031 -20.750 8.608 331 HB2 MET 41 HB2 MET 41 13.255 -20.449 7.642 332 HB3 MET 41 HB3 MET 41 12.946 -22.106 8.136 333 HG2 MET 41 HG2 MET 41 12.614 -22.832 5.875 334 HG3 MET 41 HG3 MET 41 12.656 -21.181 5.256 335 HE1 MET 41 HE3 MET 41 14.743 -19.781 4.863 336 HE2 MET 41 HE1 MET 41 15.181 -19.812 6.586 337 HE3 MET 41 HE2 MET 41 16.395 -20.223 5.357 338 H THR 42 H THR 42 8.797 -20.360 6.945 339 HA THR 42 HA THR 42 9.364 -17.680 5.807 340 HB THR 42 HB THR 42 7.799 -18.280 3.788 341 HG1 THR 42 HG1 THR 42 8.205 -20.712 4.933 342 HG21 THR 42 HG23 THR 42 10.187 -17.789 3.444 343 HG22 THR 42 HG21 THR 42 10.642 -19.436 3.936 344 HG23 THR 42 HG22 THR 42 9.707 -19.186 2.460 345 H GLU 43 H GLU 43 7.161 -16.690 5.106 346 HA GLU 43 HA GLU 43 5.273 -16.730 7.265 347 HB2 GLU 43 HB2 GLU 43 3.864 -15.441 5.675 348 HB3 GLU 43 HB3 GLU 43 5.467 -14.765 5.948 349 HG2 GLU 43 HG2 GLU 43 5.015 -16.556 3.575 350 HG3 GLU 43 HG3 GLU 43 4.389 -14.912 3.517 351 H THR 44 H THR 44 5.656 -18.966 4.833 352 HA THR 44 HA THR 44 3.162 -19.907 4.139 353 HB THR 44 HB THR 44 5.537 -21.730 4.339 354 HG1 THR 44 HG1 THR 44 6.598 -20.273 3.293 355 HG21 THR 44 HG23 THR 44 3.236 -22.324 3.265 356 HG22 THR 44 HG21 THR 44 3.668 -21.197 2.019 357 HG23 THR 44 HG22 THR 44 4.726 -22.562 2.284 358 H LEU 45 H LEU 45 2.221 -19.573 6.340 359 HA LEU 45 HA LEU 45 2.072 -21.642 8.209 360 HB2 LEU 45 HB2 LEU 45 -0.557 -20.503 7.910 361 HB3 LEU 45 HB3 LEU 45 0.633 -20.336 9.177 362 HG LEU 45 HG LEU 45 1.571 -18.366 7.990 363 HD11 LEU 45 HD11 LEU 45 -0.920 -18.693 6.220 364 HD12 LEU 45 HD12 LEU 45 0.162 -17.271 6.236 365 HD13 LEU 45 HD13 LEU 45 0.718 -18.813 5.632 366 HD21 LEU 45 HD23 LEU 45 -1.393 -18.265 8.635 367 HD22 LEU 45 HD21 LEU 45 -0.042 -18.109 9.785 368 HD23 LEU 45 HD22 LEU 45 -0.278 -16.869 8.556 369 H LEU 46 H LEU 46 1.360 -22.426 5.067 370 HA LEU 46 HA LEU 46 -0.151 -24.786 5.698 371 HB2 LEU 46 HB2 LEU 46 -2.119 -24.160 4.161 372 HB3 LEU 46 HB3 LEU 46 -2.120 -23.641 5.799 373 HG LEU 46 HG LEU 46 -2.796 -22.099 3.703 374 HD11 LEU 46 HD11 LEU 46 -1.805 -21.461 6.444 375 HD12 LEU 46 HD12 LEU 46 -2.389 -20.191 5.357 376 HD13 LEU 46 HD13 LEU 46 -3.455 -21.545 5.826 377 HD21 LEU 46 HD23 LEU 46 -0.090 -20.882 4.333 378 HD22 LEU 46 HD21 LEU 46 -0.398 -21.841 2.872 379 HD23 LEU 46 HD22 LEU 46 -1.295 -20.350 3.180 380 H VAL 47 H VAL 47 -0.840 -26.059 3.772 381 HA VAL 47 HA VAL 47 0.612 -25.656 1.277 382 HB VAL 47 HB VAL 47 1.276 -27.916 3.187 383 HG11 VAL 47 HG11 VAL 47 2.108 -27.559 0.278 384 HG12 VAL 47 HG12 VAL 47 2.893 -28.662 1.427 385 HG13 VAL 47 HG13 VAL 47 1.236 -28.953 0.993 386 HG21 VAL 47 HG23 VAL 47 2.755 -25.561 1.959 387 HG22 VAL 47 HG21 VAL 47 2.549 -26.010 3.677 388 HG23 VAL 47 HG22 VAL 47 3.623 -26.933 2.614 389 H GLN 48 H GLN 48 0.034 -27.321 -0.217 390 HA GLN 48 HA GLN 48 -2.553 -28.106 -0.756 391 HB2 GLN 48 HB2 GLN 48 0.060 -29.538 -1.338 392 HB3 GLN 48 HB3 GLN 48 -1.476 -29.935 -2.110 393 HG2 GLN 48 HG2 GLN 48 -1.597 -27.871 -3.268 394 HG3 GLN 48 HG3 GLN 48 -0.395 -27.091 -2.240 395 HE21 GLN 48 HE22 GLN 48 1.884 -27.407 -2.665 396 HE22 GLN 48 HE21 GLN 48 2.357 -28.410 -4.036 397 H ASN 49 H ASN 49 -0.430 -29.592 1.657 398 HA ASN 49 HA ASN 49 -1.954 -31.862 2.333 399 HB2 ASN 49 HB2 ASN 49 0.264 -30.153 3.463 400 HB3 ASN 49 HB3 ASN 49 -0.560 -31.256 4.533 401 HD21 ASN 49 HD22 ASN 49 1.665 -32.202 4.549 402 HD22 ASN 49 HD21 ASN 49 1.893 -33.526 3.430 403 H ALA 50 H ALA 50 -3.481 -29.408 1.956 404 HA ALA 50 HA ALA 50 -4.975 -28.778 4.272 405 HB1 ALA 50 HB3 ALA 50 -4.648 -27.388 2.225 406 HB2 ALA 50 HB1 ALA 50 -5.562 -28.592 1.286 407 HB3 ALA 50 HB2 ALA 50 -6.355 -27.684 2.586 408 H ASN 51 H ASN 51 -4.861 -31.763 3.368 409 HA ASN 51 HA ASN 51 -7.456 -32.663 2.553 410 HB2 ASN 51 HB2 ASN 51 -6.218 -34.884 3.647 411 HB3 ASN 51 HB3 ASN 51 -6.177 -34.381 1.976 412 HD21 ASN 51 HD22 ASN 51 -4.420 -36.096 2.657 413 HD22 ASN 51 HD21 ASN 51 -2.820 -35.385 2.946 414 HA PRO 52 HA PRO 52 -9.726 -32.962 6.209 415 HB2 PRO 52 HB2 PRO 52 -10.780 -35.508 6.460 416 HB3 PRO 52 HB3 PRO 52 -11.336 -34.274 5.290 417 HG2 PRO 52 HG2 PRO 52 -9.423 -36.568 4.827 418 HG3 PRO 52 HG3 PRO 52 -10.776 -36.026 3.790 419 HD2 PRO 52 HD2 PRO 52 -8.220 -35.348 3.267 420 HD3 PRO 52 HD3 PRO 52 -9.542 -34.186 2.980 421 H ASP 53 H ASP 53 -7.553 -35.895 6.200 422 HA ASP 53 HA ASP 53 -7.771 -36.400 8.933 423 HB2 ASP 53 HB2 ASP 53 -5.386 -37.063 7.176 424 HB3 ASP 53 HB3 ASP 53 -6.004 -37.966 8.558 425 H CYS 54 H CYS 54 -4.964 -34.816 7.250 426 HA CYS 54 HA CYS 54 -3.543 -33.812 9.456 427 HB2 CYS 54 HB2 CYS 54 -3.287 -31.675 7.818 428 HB3 CYS 54 HB3 CYS 54 -2.449 -33.178 7.469 429 HG CYS 54 HG CYS 54 -3.387 -32.561 5.166 430 H LYS 55 H LYS 55 -6.219 -32.143 7.765 431 HA LYS 55 HA LYS 55 -6.426 -29.903 9.582 432 HB2 LYS 55 HB2 LYS 55 -8.300 -31.264 7.714 433 HB3 LYS 55 HB3 LYS 55 -8.926 -30.095 8.861 434 HG2 LYS 55 HG2 LYS 55 -8.339 -29.064 6.656 435 HG3 LYS 55 HG3 LYS 55 -7.580 -28.320 8.063 436 HD2 LYS 55 HD2 LYS 55 -5.987 -30.333 6.443 437 HD3 LYS 55 HD3 LYS 55 -6.269 -28.717 5.846 438 HE2 LYS 55 HE2 LYS 55 -5.107 -27.651 7.557 439 HE3 LYS 55 HE3 LYS 55 -5.203 -29.002 8.655 440 HZ1 LYS 55 HZ3 LYS 55 -3.372 -29.934 7.794 441 HZ2 LYS 55 HZ1 LYS 55 -3.713 -29.589 6.233 442 HZ3 LYS 55 HZ2 LYS 55 -3.053 -28.445 7.204 443 H THR 56 H THR 56 -8.153 -33.003 9.875 444 HA THR 56 HA THR 56 -9.463 -32.453 12.334 445 HB THR 56 HB THR 56 -8.394 -35.139 11.392 446 HG1 THR 56 HG1 THR 56 -9.595 -34.341 9.746 447 HG21 THR 56 HG23 THR 56 -9.333 -35.284 13.648 448 HG22 THR 56 HG21 THR 56 -10.774 -34.370 13.135 449 HG23 THR 56 HG22 THR 56 -10.458 -35.996 12.486 450 H ILE 57 H ILE 57 -6.143 -32.894 11.665 451 HA ILE 57 HA ILE 57 -5.434 -33.418 14.527 452 HB ILE 57 HB ILE 57 -3.690 -33.549 12.058 453 HG12 ILE 57 HG12 ILE 57 -4.429 -35.887 13.827 454 HG13 ILE 57 HG13 ILE 57 -5.589 -35.372 12.630 455 HG21 ILE 57 HG21 ILE 57 -3.090 -34.202 14.973 456 HG22 ILE 57 HG22 ILE 57 -2.037 -34.595 13.598 457 HG23 ILE 57 HG23 ILE 57 -2.352 -32.911 14.001 458 HD11 ILE 57 HD13 ILE 57 -3.925 -35.627 10.813 459 HD12 ILE 57 HD11 ILE 57 -2.738 -36.222 11.999 460 HD13 ILE 57 HD12 ILE 57 -4.236 -37.131 11.676 461 H LEU 58 H LEU 58 -3.975 -31.157 11.989 462 HA LEU 58 HA LEU 58 -2.889 -29.359 13.780 463 HB2 LEU 58 HB2 LEU 58 -4.107 -28.629 11.068 464 HB3 LEU 58 HB3 LEU 58 -3.005 -27.642 12.020 465 HG LEU 58 HG LEU 58 -1.426 -29.688 11.930 466 HD11 LEU 58 HD11 LEU 58 -3.340 -30.314 9.764 467 HD12 LEU 58 HD12 LEU 58 -1.606 -30.841 9.596 468 HD13 LEU 58 HD13 LEU 58 -2.541 -31.370 10.959 469 HD21 LEU 58 HD23 LEU 58 -1.945 -27.718 9.695 470 HD22 LEU 58 HD21 LEU 58 -0.590 -27.788 10.867 471 HD23 LEU 58 HD22 LEU 58 -0.631 -28.915 9.509 472 H LYS 59 H LYS 59 -6.220 -29.670 13.028 473 HA LYS 59 HA LYS 59 -7.590 -27.496 14.067 474 HB2 LYS 59 HB2 LYS 59 -7.850 -30.454 14.406 475 HB3 LYS 59 HB3 LYS 59 -8.787 -29.462 15.505 476 HG2 LYS 59 HG2 LYS 59 -8.942 -28.764 12.590 477 HG3 LYS 59 HG3 LYS 59 -9.730 -30.247 13.149 478 HD2 LYS 59 HD2 LYS 59 -10.984 -28.885 14.850 479 HD3 LYS 59 HD3 LYS 59 -10.165 -27.430 14.219 480 HE2 LYS 59 HE2 LYS 59 -11.058 -28.102 11.919 481 HE3 LYS 59 HE3 LYS 59 -12.106 -29.276 12.742 482 HZ1 LYS 59 HZ3 LYS 59 -13.155 -27.386 13.883 483 HZ2 LYS 59 HZ1 LYS 59 -11.963 -26.376 13.291 484 HZ3 LYS 59 HZ2 LYS 59 -12.984 -26.926 12.269 485 H ALA 60 H ALA 60 -5.727 -29.756 15.967 486 HA ALA 60 HA ALA 60 -5.655 -27.896 18.313 487 HB1 ALA 60 HB3 ALA 60 -7.096 -29.859 18.744 488 HB2 ALA 60 HB1 ALA 60 -5.762 -30.946 18.292 489 HB3 ALA 60 HB2 ALA 60 -5.627 -29.919 19.737 490 H LEU 61 H LEU 61 -3.820 -29.072 15.858 491 HA LEU 61 HA LEU 61 -1.307 -29.127 17.415 492 HB2 LEU 61 HB2 LEU 61 -2.481 -31.197 15.966 493 HB3 LEU 61 HB3 LEU 61 -1.271 -30.614 14.863 494 HG LEU 61 HG LEU 61 -0.732 -31.284 17.799 495 HD11 LEU 61 HD11 LEU 61 -0.192 -33.001 15.354 496 HD12 LEU 61 HD12 LEU 61 0.303 -33.359 17.016 497 HD13 LEU 61 HD13 LEU 61 -1.418 -33.308 16.608 498 HD21 LEU 61 HD23 LEU 61 1.156 -30.845 15.451 499 HD22 LEU 61 HD21 LEU 61 0.942 -29.756 16.839 500 HD23 LEU 61 HD22 LEU 61 1.633 -31.369 17.079 501 H GLY 62 H GLY 62 -2.380 -26.756 16.477 502 HA2 GLY 62 HA2 GLY 62 -0.174 -25.857 14.627 503 HA3 GLY 62 HA3 GLY 62 -1.709 -25.018 14.827 504 HA PRO 63 HA PRO 63 0.383 -23.996 18.976 505 HB2 PRO 63 HB2 PRO 63 2.377 -25.404 20.131 506 HB3 PRO 63 HB3 PRO 63 0.737 -26.098 19.999 507 HG2 PRO 63 HG2 PRO 63 3.054 -26.503 18.058 508 HG3 PRO 63 HG3 PRO 63 2.123 -27.773 18.925 509 HD2 PRO 63 HD2 PRO 63 1.430 -27.009 16.411 510 HD3 PRO 63 HD3 PRO 63 0.204 -27.374 17.669 511 H ALA 64 H ALA 64 1.259 -23.162 16.404 512 HA ALA 64 HA ALA 64 2.726 -21.838 15.301 513 HB1 ALA 64 HB3 ALA 64 1.981 -20.439 17.185 514 HB2 ALA 64 HB1 ALA 64 3.426 -20.923 18.106 515 HB3 ALA 64 HB2 ALA 64 3.598 -19.991 16.607 516 H ALA 65 H ALA 65 4.033 -24.474 16.334 517 HA ALA 65 HA ALA 65 6.528 -23.897 14.851 518 HB1 ALA 65 HB3 ALA 65 7.209 -23.603 17.201 519 HB2 ALA 65 HB1 ALA 65 6.552 -25.201 17.621 520 HB3 ALA 65 HB2 ALA 65 7.934 -25.060 16.503 521 H THR 66 H THR 66 4.993 -26.652 16.700 522 HA THR 66 HA THR 66 5.751 -28.650 14.970 523 HB THR 66 HB THR 66 3.068 -28.747 16.352 524 HG1 THR 66 HG1 THR 66 5.464 -29.263 17.676 525 HG21 THR 66 HG23 THR 66 3.684 -30.853 15.323 526 HG22 THR 66 HG21 THR 66 5.334 -30.757 15.960 527 HG23 THR 66 HG22 THR 66 3.966 -31.019 17.057 528 H LEU 67 H LEU 67 3.632 -26.234 13.951 529 HA LEU 67 HA LEU 67 1.969 -27.589 12.025 530 HB2 LEU 67 HB2 LEU 67 1.811 -25.323 12.885 531 HB3 LEU 67 HB3 LEU 67 3.283 -24.865 12.047 532 HG LEU 67 HG LEU 67 0.456 -25.195 11.016 533 HD11 LEU 67 HD11 LEU 67 2.798 -23.370 10.325 534 HD12 LEU 67 HD12 LEU 67 1.087 -23.119 9.895 535 HD13 LEU 67 HD13 LEU 67 1.595 -23.014 11.585 536 HD21 LEU 67 HD23 LEU 67 2.842 -25.675 9.251 537 HD22 LEU 67 HD21 LEU 67 1.454 -26.769 9.589 538 HD23 LEU 67 HD22 LEU 67 1.241 -25.224 8.691 539 H GLU 68 H GLU 68 5.293 -26.236 11.886 540 HA GLU 68 HA GLU 68 6.064 -26.692 9.280 541 HB2 GLU 68 HB2 GLU 68 7.662 -27.444 11.795 542 HB3 GLU 68 HB3 GLU 68 8.357 -27.109 10.202 543 HG2 GLU 68 HG2 GLU 68 7.599 -24.793 10.352 544 HG3 GLU 68 HG3 GLU 68 6.761 -25.107 11.823 545 H GLU 69 H GLU 69 5.900 -29.198 11.797 546 HA GLU 69 HA GLU 69 6.662 -31.312 9.871 547 HB2 GLU 69 HB2 GLU 69 6.254 -32.946 11.438 548 HB3 GLU 69 HB3 GLU 69 7.053 -31.634 12.298 549 HG2 GLU 69 HG2 GLU 69 5.184 -31.110 13.537 550 HG3 GLU 69 HG3 GLU 69 4.016 -31.847 12.450 551 H MET 70 H MET 70 3.632 -29.999 11.160 552 HA MET 70 HA MET 70 1.909 -32.019 10.125 553 HB2 MET 70 HB2 MET 70 1.321 -29.189 10.818 554 HB3 MET 70 HB3 MET 70 0.195 -30.528 10.515 555 HG2 MET 70 HG2 MET 70 2.191 -30.901 12.612 556 HG3 MET 70 HG3 MET 70 0.780 -29.875 12.913 557 HE1 MET 70 HE3 MET 70 2.145 -33.460 12.023 558 HE2 MET 70 HE1 MET 70 2.059 -33.148 13.767 559 HE3 MET 70 HE2 MET 70 1.037 -34.403 13.041 560 H MET 71 H MET 71 3.178 -29.199 8.693 561 HA MET 71 HA MET 71 1.645 -28.902 6.265 562 HB2 MET 71 HB2 MET 71 3.084 -27.106 6.769 563 HB3 MET 71 HB3 MET 71 4.455 -28.145 7.160 564 HG2 MET 71 HG2 MET 71 3.349 -28.224 4.367 565 HG3 MET 71 HG3 MET 71 4.273 -26.849 4.840 566 HE1 MET 71 HE3 MET 71 4.778 -29.197 2.490 567 HE2 MET 71 HE1 MET 71 5.749 -27.696 2.516 568 HE3 MET 71 HE2 MET 71 6.543 -29.282 2.495 569 H THR 72 H THR 72 4.517 -30.765 7.081 570 HA THR 72 HA THR 72 4.686 -32.233 4.580 571 HB THR 72 HB THR 72 5.798 -33.075 7.245 572 HG1 THR 72 HG1 THR 72 6.526 -30.953 7.088 573 HG21 THR 72 HG23 THR 72 6.297 -34.640 5.455 574 HG22 THR 72 HG21 THR 72 6.902 -33.325 4.419 575 HG23 THR 72 HG22 THR 72 7.777 -33.784 5.895 576 H ALA 73 H ALA 73 3.429 -33.015 7.858 577 HA ALA 73 HA ALA 73 3.717 -35.702 7.893 578 HB1 ALA 73 HB3 ALA 73 3.081 -34.287 9.796 579 HB2 ALA 73 HB1 ALA 73 1.438 -34.102 9.131 580 HB3 ALA 73 HB2 ALA 73 2.019 -35.693 9.672 581 H CYS 74 H CYS 74 0.989 -34.069 6.445 582 HA CYS 74 HA CYS 74 -0.285 -36.727 5.878 583 HB2 CYS 74 HB2 CYS 74 -1.313 -34.787 7.138 584 HB3 CYS 74 HB3 CYS 74 -1.578 -34.020 5.549 585 HG CYS 74 HG CYS 74 -2.403 -37.200 6.060 586 H GLN 75 H GLN 75 2.014 -35.782 4.166 587 HA GLN 75 HA GLN 75 0.926 -34.911 1.668 588 HB2 GLN 75 HB2 GLN 75 3.088 -35.208 0.719 589 HB3 GLN 75 HB3 GLN 75 3.169 -34.367 2.260 590 HG2 GLN 75 HG2 GLN 75 3.922 -36.571 3.310 591 HG3 GLN 75 HG3 GLN 75 4.062 -37.217 1.676 592 HE21 GLN 75 HE22 GLN 75 5.215 -35.002 0.272 593 HE22 GLN 75 HE21 GLN 75 6.776 -34.682 1.051 594 H GLY 76 H GLY 76 -0.769 -36.094 1.032 595 HA2 GLY 76 HA2 GLY 76 -1.766 -37.648 -0.405 596 HA3 GLY 76 HA3 GLY 76 -0.253 -38.561 -0.488 597 H VAL 77 H VAL 77 0.037 -38.737 2.400 598 HA VAL 77 HA VAL 77 -1.642 -40.968 3.124 599 HB VAL 77 HB VAL 77 0.219 -39.442 4.984 600 HG11 VAL 77 HG11 VAL 77 -0.677 -42.371 4.862 601 HG12 VAL 77 HG12 VAL 77 0.440 -41.667 6.054 602 HG13 VAL 77 HG13 VAL 77 -1.251 -41.173 6.040 603 HG21 VAL 77 HG23 VAL 77 0.912 -41.644 2.992 604 HG22 VAL 77 HG21 VAL 77 1.577 -39.994 3.037 605 HG23 VAL 77 HG22 VAL 77 1.955 -41.122 4.332 606 H GLY 78 H GLY 78 -3.540 -39.485 2.586 607 HA2 GLY 78 HA2 GLY 78 -5.246 -39.308 4.786 608 HA3 GLY 78 HA3 GLY 78 -4.607 -37.680 4.587 609 H GLY 79 H GLY 79 -6.631 -40.158 3.178 610 HA2 GLY 79 HA2 GLY 79 -8.688 -39.272 2.185 611 HA3 GLY 79 HA3 GLY 79 -7.727 -38.147 1.235 612 HA PRO 80 HA PRO 80 -8.773 -42.136 -1.022 613 HB2 PRO 80 HB2 PRO 80 -10.824 -41.420 -2.652 614 HB3 PRO 80 HB3 PRO 80 -11.046 -41.602 -0.894 615 HG2 PRO 80 HG2 PRO 80 -10.472 -39.022 -2.406 616 HG3 PRO 80 HG3 PRO 80 -11.833 -39.357 -1.282 617 HD2 PRO 80 HD2 PRO 80 -9.527 -38.166 -0.431 618 HD3 PRO 80 HD3 PRO 80 -10.417 -39.325 0.600 619 H GLY 81 H GLY 81 -6.457 -40.729 -1.628 620 HA2 GLY 81 HA2 GLY 81 -4.945 -40.228 -3.344 621 HA3 GLY 81 HA3 GLY 81 -5.766 -41.565 -4.157 622 H HIS 82 H HIS 82 -6.580 -38.204 -3.407 623 HA HIS 82 HA HIS 82 -7.833 -36.646 -4.455 624 HB2 HIS 82 HB2 HIS 82 -6.589 -35.553 -6.308 625 HB3 HIS 82 HB3 HIS 82 -5.730 -35.840 -4.813 626 HD2 HIS 82 HD2 HIS 82 -6.036 -38.281 -7.863 627 HE1 HIS 82 HE1 HIS 82 -1.911 -37.549 -7.094 628 HE2 HIS 82 HE2 HIS 82 -3.567 -38.863 -8.532 629 H LYS 83 H LYS 83 -8.373 -39.519 -5.862 630 HA LYS 83 HA LYS 83 -10.002 -38.724 -8.115 631 HB2 LYS 83 HB2 LYS 83 -8.970 -40.990 -7.667 632 HB3 LYS 83 HB3 LYS 83 -10.111 -41.199 -6.352 633 HG2 LYS 83 HG2 LYS 83 -11.818 -40.580 -8.482 634 HG3 LYS 83 HG3 LYS 83 -10.480 -41.356 -9.320 635 HD2 LYS 83 HD2 LYS 83 -12.096 -43.054 -8.800 636 HD3 LYS 83 HD3 LYS 83 -10.708 -43.312 -7.721 637 HE2 LYS 83 HE2 LYS 83 -11.939 -41.993 -5.940 638 HE3 LYS 83 HE3 LYS 83 -13.313 -41.854 -7.027 639 HZ1 LYS 83 HZ3 LYS 83 -13.484 -44.290 -7.005 640 HZ2 LYS 83 HZ1 LYS 83 -12.194 -44.398 -5.989 641 HZ3 LYS 83 HZ2 LYS 83 -13.585 -43.690 -5.476 642 H ALA 84 H ALA 84 -10.813 -36.843 -6.750 643 HA ALA 84 HA ALA 84 -13.255 -37.497 -5.143 644 HB1 ALA 84 HB3 ALA 84 -11.279 -36.696 -3.865 645 HB2 ALA 84 HB1 ALA 84 -11.271 -35.205 -4.832 646 HB3 ALA 84 HB2 ALA 84 -12.640 -35.572 -3.759 647 H ARG 85 H ARG 85 -14.166 -34.819 -4.848 648 HA ARG 85 HA ARG 85 -14.789 -33.770 -7.497 649 HB2 ARG 85 HB2 ARG 85 -16.374 -35.869 -6.753 650 HB3 ARG 85 HB3 ARG 85 -17.188 -34.600 -5.850 651 HG2 ARG 85 HG2 ARG 85 -18.317 -34.789 -7.951 652 HG3 ARG 85 HG3 ARG 85 -17.372 -33.310 -8.049 653 HD2 ARG 85 HD2 ARG 85 -15.538 -35.000 -9.094 654 HD3 ARG 85 HD3 ARG 85 -16.987 -35.949 -9.452 655 HE ARG 85 HE ARG 85 -17.602 -33.353 -10.294 656 HH11 ARG 85 HH11 ARG 85 -15.220 -35.693 -11.272 657 HH12 ARG 85 HH12 ARG 85 -14.909 -34.881 -12.792 658 HH21 ARG 85 HH21 ARG 85 -16.946 -32.218 -11.933 659 HH22 ARG 85 HH22 ARG 85 -15.972 -32.893 -13.220 660 H VAL 86 H VAL 86 -16.252 -31.946 -7.368 661 HA VAL 86 HA VAL 86 -16.906 -30.686 -4.857 662 HB VAL 86 HB VAL 86 -14.608 -29.849 -5.106 663 HG11 VAL 86 HG11 VAL 86 -15.498 -28.394 -7.629 664 HG12 VAL 86 HG12 VAL 86 -13.930 -28.292 -6.814 665 HG13 VAL 86 HG13 VAL 86 -14.409 -29.803 -7.598 666 HG21 VAL 86 HG23 VAL 86 -16.699 -27.683 -5.537 667 HG22 VAL 86 HG21 VAL 86 -16.342 -28.491 -3.999 668 HG23 VAL 86 HG22 VAL 86 -15.105 -27.488 -4.780 669 H LEU 87 H LEU 87 -16.623 -30.358 -8.370 670 HA LEU 87 HA LEU 87 -19.537 -30.267 -8.704 671 HB2 LEU 87 HB2 LEU 87 -17.551 -28.313 -9.975 672 HB3 LEU 87 HB3 LEU 87 -19.192 -28.555 -10.544 673 HG LEU 87 HG LEU 87 -18.453 -27.430 -7.806 674 HD11 LEU 87 HD11 LEU 87 -19.525 -26.084 -10.315 675 HD12 LEU 87 HD12 LEU 87 -19.255 -25.304 -8.737 676 HD13 LEU 87 HD13 LEU 87 -17.878 -25.928 -9.663 677 HD21 LEU 87 HD23 LEU 87 -21.147 -27.697 -9.225 678 HD22 LEU 87 HD21 LEU 87 -20.646 -28.544 -7.746 679 HD23 LEU 87 HD22 LEU 87 -20.862 -26.793 -7.715 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -6.674 -3.319 -3.503 2 H2 MET 1 H2 MET 1 -6.942 -3.630 -1.925 3 H3 MET 1 H3 MET 1 -8.102 -4.019 -3.044 4 HA MET 1 HA MET 1 -6.966 -6.004 -2.336 5 HB2 MET 1 HB2 MET 1 -6.097 -5.181 -5.144 6 HB3 MET 1 HB3 MET 1 -6.166 -6.834 -4.510 7 HG2 MET 1 HG2 MET 1 -8.624 -6.587 -4.158 8 HG3 MET 1 HG3 MET 1 -8.537 -4.967 -4.857 9 HE1 MET 1 HE3 MET 1 -7.197 -8.644 -5.849 10 HE2 MET 1 HE1 MET 1 -8.945 -8.718 -5.503 11 HE3 MET 1 HE2 MET 1 -8.355 -8.945 -7.163 12 H SER 2 H SER 2 -4.408 -6.880 -3.513 13 HA SER 2 HA SER 2 -2.403 -5.139 -2.207 14 HB2 SER 2 HB2 SER 2 -1.609 -6.972 -0.866 15 HB3 SER 2 HB3 SER 2 -3.339 -6.889 -0.601 16 HG SER 2 HG SER 2 -1.855 -8.876 -1.523 17 HA PRO 3 HA PRO 3 -0.032 -6.490 -5.769 18 HB2 PRO 3 HB2 PRO 3 2.509 -7.044 -4.880 19 HB3 PRO 3 HB3 PRO 3 1.837 -5.389 -4.983 20 HG2 PRO 3 HG2 PRO 3 1.942 -7.204 -2.552 21 HG3 PRO 3 HG3 PRO 3 2.456 -5.490 -2.673 22 HD2 PRO 3 HD2 PRO 3 0.040 -6.157 -1.693 23 HD3 PRO 3 HD3 PRO 3 0.207 -4.737 -2.760 24 H THR 4 H THR 4 -0.368 -8.693 -3.109 25 HA THR 4 HA THR 4 -0.338 -10.873 -2.815 26 HB THR 4 HB THR 4 -0.829 -12.501 -4.478 27 HG1 THR 4 HG1 THR 4 -0.151 -10.563 -6.241 28 HG21 THR 4 HG23 THR 4 -2.673 -11.331 -3.423 29 HG22 THR 4 HG21 THR 4 -2.562 -10.005 -4.599 30 HG23 THR 4 HG22 THR 4 -3.071 -11.601 -5.140 31 H SER 5 H SER 5 1.571 -10.801 -1.871 32 HA SER 5 HA SER 5 3.976 -11.774 -3.411 33 HB2 SER 5 HB2 SER 5 3.844 -9.673 -1.223 34 HB3 SER 5 HB3 SER 5 5.277 -10.138 -2.156 35 HG SER 5 HG SER 5 3.875 -9.474 -4.048 36 H ILE 6 H ILE 6 1.952 -12.396 -0.854 37 HA ILE 6 HA ILE 6 1.968 -13.255 1.095 38 HB ILE 6 HB ILE 6 2.958 -15.166 -0.403 39 HG12 ILE 6 HG12 ILE 6 1.338 -15.627 1.197 40 HG13 ILE 6 HG13 ILE 6 2.685 -16.692 1.560 41 HG21 ILE 6 HG21 ILE 6 5.033 -15.240 1.788 42 HG22 ILE 6 HG22 ILE 6 4.952 -16.161 0.271 43 HG23 ILE 6 HG23 ILE 6 5.335 -14.420 0.264 44 HD11 ILE 6 HD13 ILE 6 3.325 -15.238 3.486 45 HD12 ILE 6 HD11 ILE 6 2.052 -14.081 3.020 46 HD13 ILE 6 HD12 ILE 6 1.612 -15.666 3.632 47 H LEU 7 H LEU 7 3.759 -10.983 0.627 48 HA LEU 7 HA LEU 7 4.369 -10.782 3.538 49 HB2 LEU 7 HB2 LEU 7 6.352 -9.461 3.103 50 HB3 LEU 7 HB3 LEU 7 6.401 -11.108 2.471 51 HG LEU 7 HG LEU 7 6.017 -10.255 0.167 52 HD11 LEU 7 HD11 LEU 7 6.219 -7.488 1.417 53 HD12 LEU 7 HD12 LEU 7 6.359 -7.840 -0.322 54 HD13 LEU 7 HD13 LEU 7 4.838 -8.149 0.509 55 HD21 LEU 7 HD23 LEU 7 8.346 -8.938 1.607 56 HD22 LEU 7 HD21 LEU 7 8.284 -10.618 1.016 57 HD23 LEU 7 HD22 LEU 7 8.239 -9.283 -0.138 58 H ASP 8 H ASP 8 2.181 -10.144 1.731 59 HA ASP 8 HA ASP 8 1.616 -7.281 2.391 60 HB2 ASP 8 HB2 ASP 8 0.477 -7.194 0.267 61 HB3 ASP 8 HB3 ASP 8 2.123 -7.760 0.004 62 H ILE 9 H ILE 9 0.430 -10.563 2.375 63 HA ILE 9 HA ILE 9 -1.972 -9.790 3.947 64 HB ILE 9 HB ILE 9 -3.244 -11.509 2.785 65 HG12 ILE 9 HG12 ILE 9 -0.910 -11.866 0.850 66 HG13 ILE 9 HG13 ILE 9 -1.091 -12.888 2.278 67 HG21 ILE 9 HG21 ILE 9 -2.001 -9.672 0.723 68 HG22 ILE 9 HG22 ILE 9 -3.598 -10.430 0.663 69 HG23 ILE 9 HG23 ILE 9 -3.252 -9.191 1.883 70 HD11 ILE 9 HD13 ILE 9 -3.368 -13.491 1.578 71 HD12 ILE 9 HD11 ILE 9 -3.127 -12.591 0.060 72 HD13 ILE 9 HD12 ILE 9 -2.113 -14.011 0.422 73 H ARG 10 H ARG 10 0.709 -11.034 4.472 74 HA ARG 10 HA ARG 10 0.440 -13.851 4.942 75 HB2 ARG 10 HB2 ARG 10 2.709 -13.727 5.524 76 HB3 ARG 10 HB3 ARG 10 2.485 -12.418 4.372 77 HG2 ARG 10 HG2 ARG 10 3.711 -11.275 5.891 78 HG3 ARG 10 HG3 ARG 10 2.117 -10.932 6.543 79 HD2 ARG 10 HD2 ARG 10 3.298 -11.617 8.419 80 HD3 ARG 10 HD3 ARG 10 2.492 -13.119 7.984 81 HE ARG 10 HE ARG 10 4.615 -13.745 6.710 82 HH11 ARG 10 HH11 ARG 10 4.971 -11.572 9.402 83 HH12 ARG 10 HH12 ARG 10 6.721 -11.633 9.322 84 HH21 ARG 10 HH21 ARG 10 6.766 -13.844 6.669 85 HH22 ARG 10 HH22 ARG 10 7.730 -12.968 7.811 86 H GLN 11 H GLN 11 -0.371 -11.241 6.800 87 HA GLN 11 HA GLN 11 0.065 -10.805 9.140 88 HB2 GLN 11 HB2 GLN 11 -2.150 -10.400 8.240 89 HB3 GLN 11 HB3 GLN 11 -2.674 -12.034 8.670 90 HG2 GLN 11 HG2 GLN 11 -2.572 -11.555 11.016 91 HG3 GLN 11 HG3 GLN 11 -1.560 -10.124 10.762 92 HE21 GLN 11 HE22 GLN 11 -4.925 -11.342 10.047 93 HE22 GLN 11 HE21 GLN 11 -5.559 -9.696 10.102 94 H GLY 12 H GLY 12 -1.170 -14.111 8.886 95 HA2 GLY 12 HA2 GLY 12 -0.213 -15.846 9.771 96 HA3 GLY 12 HA3 GLY 12 0.494 -14.967 11.131 97 HA PRO 13 HA PRO 13 -4.087 -15.772 12.451 98 HB2 PRO 13 HB2 PRO 13 -5.900 -16.898 10.719 99 HB3 PRO 13 HB3 PRO 13 -5.476 -15.159 10.698 100 HG2 PRO 13 HG2 PRO 13 -4.229 -17.369 8.991 101 HG3 PRO 13 HG3 PRO 13 -4.961 -15.824 8.420 102 HD2 PRO 13 HD2 PRO 13 -2.333 -16.096 8.766 103 HD3 PRO 13 HD3 PRO 13 -3.130 -14.604 9.301 104 H LYS 14 H LYS 14 -2.680 -18.409 10.532 105 HA LYS 14 HA LYS 14 -2.761 -20.659 10.525 106 HB2 LYS 14 HB2 LYS 14 -3.068 -20.406 13.483 107 HB3 LYS 14 HB3 LYS 14 -2.210 -21.625 12.554 108 HG2 LYS 14 HG2 LYS 14 -0.273 -20.468 12.431 109 HG3 LYS 14 HG3 LYS 14 -1.038 -18.894 12.302 110 HD2 LYS 14 HD2 LYS 14 -0.867 -20.476 14.886 111 HD3 LYS 14 HD3 LYS 14 0.234 -19.173 14.398 112 HE2 LYS 14 HE2 LYS 14 -1.710 -17.606 14.234 113 HE3 LYS 14 HE3 LYS 14 -2.787 -18.883 14.779 114 HZ1 LYS 14 HZ3 LYS 14 -1.476 -18.970 16.857 115 HZ2 LYS 14 HZ1 LYS 14 -0.566 -17.691 16.337 116 HZ3 LYS 14 HZ2 LYS 14 -2.172 -17.502 16.625 117 H GLU 15 H GLU 15 -5.551 -19.318 10.739 118 HA GLU 15 HA GLU 15 -7.114 -21.572 11.875 119 HB2 GLU 15 HB2 GLU 15 -7.141 -18.694 12.059 120 HB3 GLU 15 HB3 GLU 15 -8.672 -19.178 11.410 121 HG2 GLU 15 HG2 GLU 15 -7.562 -20.521 13.894 122 HG3 GLU 15 HG3 GLU 15 -8.298 -18.924 13.977 123 HA PRO 16 HA PRO 16 -9.817 -21.063 8.117 124 HB2 PRO 16 HB2 PRO 16 -9.695 -19.074 6.305 125 HB3 PRO 16 HB3 PRO 16 -10.122 -18.747 7.999 126 HG2 PRO 16 HG2 PRO 16 -7.370 -18.494 6.726 127 HG3 PRO 16 HG3 PRO 16 -8.274 -17.244 7.641 128 HD2 PRO 16 HD2 PRO 16 -6.419 -18.905 8.787 129 HD3 PRO 16 HD3 PRO 16 -7.861 -18.306 9.657 130 H PHE 17 H PHE 17 -8.087 -22.954 7.891 131 HA PHE 17 HA PHE 17 -5.984 -22.967 6.184 132 HB2 PHE 17 HB2 PHE 17 -7.701 -25.160 7.182 133 HB3 PHE 17 HB3 PHE 17 -6.741 -25.517 5.774 134 HD1 PHE 17 HD2 PHE 17 -6.046 -23.547 8.957 135 HD2 PHE 17 HD1 PHE 17 -4.816 -26.778 6.359 136 HE1 PHE 17 HE2 PHE 17 -3.943 -23.841 10.262 137 HE2 PHE 17 HE1 PHE 17 -2.710 -27.032 7.715 138 HZ PHE 17 HZ PHE 17 -2.288 -25.531 9.595 139 H ARG 18 H ARG 18 -9.174 -24.180 4.733 140 HA ARG 18 HA ARG 18 -7.791 -24.455 2.207 141 HB2 ARG 18 HB2 ARG 18 -9.904 -25.219 1.365 142 HB3 ARG 18 HB3 ARG 18 -9.538 -25.921 2.924 143 HG2 ARG 18 HG2 ARG 18 -11.810 -25.552 3.035 144 HG3 ARG 18 HG3 ARG 18 -11.125 -24.239 4.006 145 HD2 ARG 18 HD2 ARG 18 -11.711 -22.625 2.381 146 HD3 ARG 18 HD3 ARG 18 -11.505 -23.731 1.089 147 HE ARG 18 HE ARG 18 -13.790 -24.010 1.113 148 HH11 ARG 18 HH11 ARG 18 -13.032 -22.802 4.306 149 HH12 ARG 18 HH12 ARG 18 -14.643 -22.674 4.722 150 HH21 ARG 18 HH21 ARG 18 -15.829 -23.521 1.685 151 HH22 ARG 18 HH22 ARG 18 -16.200 -23.116 3.330 152 H ASP 19 H ASP 19 -9.845 -22.125 3.644 153 HA ASP 19 HA ASP 19 -10.663 -20.534 1.445 154 HB2 ASP 19 HB2 ASP 19 -10.170 -19.633 4.309 155 HB3 ASP 19 HB3 ASP 19 -11.297 -18.912 3.162 156 H TYR 20 H TYR 20 -7.843 -20.578 3.265 157 HA TYR 20 HA TYR 20 -6.716 -18.049 2.101 158 HB2 TYR 20 HB2 TYR 20 -7.276 -18.110 4.499 159 HB3 TYR 20 HB3 TYR 20 -6.178 -19.473 4.707 160 HD1 TYR 20 HD1 TYR 20 -5.737 -16.120 2.962 161 HD2 TYR 20 HD2 TYR 20 -4.553 -18.794 6.128 162 HE1 TYR 20 HE1 TYR 20 -4.044 -14.459 3.751 163 HE2 TYR 20 HE2 TYR 20 -2.785 -17.189 6.826 164 HH TYR 20 HH TYR 20 -2.396 -13.981 5.338 165 H VAL 21 H VAL 21 -6.017 -21.540 2.675 166 HA VAL 21 HA VAL 21 -3.296 -21.460 1.902 167 HB VAL 21 HB VAL 21 -4.478 -23.504 2.851 168 HG11 VAL 21 HG11 VAL 21 -5.008 -24.332 -0.006 169 HG12 VAL 21 HG12 VAL 21 -5.454 -25.144 1.516 170 HG13 VAL 21 HG13 VAL 21 -6.266 -23.651 1.023 171 HG21 VAL 21 HG23 VAL 21 -2.726 -24.040 0.475 172 HG22 VAL 21 HG21 VAL 21 -2.165 -23.442 2.056 173 HG23 VAL 21 HG22 VAL 21 -3.002 -24.978 1.960 174 H ASP 22 H ASP 22 -6.217 -21.716 -0.118 175 HA ASP 22 HA ASP 22 -5.115 -22.033 -2.678 176 HB2 ASP 22 HB2 ASP 22 -7.478 -21.899 -1.883 177 HB3 ASP 22 HB3 ASP 22 -7.319 -20.230 -1.673 178 H ARG 23 H ARG 23 -5.987 -19.146 -1.182 179 HA ARG 23 HA ARG 23 -4.784 -17.259 -2.957 180 HB2 ARG 23 HB2 ARG 23 -5.299 -16.253 -0.173 181 HB3 ARG 23 HB3 ARG 23 -5.903 -15.645 -1.698 182 HG2 ARG 23 HG2 ARG 23 -6.934 -17.980 -0.055 183 HG3 ARG 23 HG3 ARG 23 -7.659 -16.385 -0.096 184 HD2 ARG 23 HD2 ARG 23 -7.351 -17.802 -2.716 185 HD3 ARG 23 HD3 ARG 23 -8.499 -18.493 -1.545 186 HE ARG 23 HE ARG 23 -9.099 -15.818 -1.623 187 HH11 ARG 23 HH11 ARG 23 -9.090 -18.530 -3.873 188 HH12 ARG 23 HH12 ARG 23 -10.549 -18.055 -4.667 189 HH21 ARG 23 HH21 ARG 23 -11.011 -15.211 -2.733 190 HH22 ARG 23 HH22 ARG 23 -11.603 -16.218 -4.028 191 H PHE 24 H PHE 24 -3.462 -18.765 -0.194 192 HA PHE 24 HA PHE 24 -1.033 -17.120 -0.033 193 HB2 PHE 24 HB2 PHE 24 -2.021 -18.292 1.918 194 HB3 PHE 24 HB3 PHE 24 -1.773 -19.843 1.135 195 HD1 PHE 24 HD2 PHE 24 0.720 -20.451 0.481 196 HD2 PHE 24 HD1 PHE 24 -0.430 -17.685 3.570 197 HE1 PHE 24 HE2 PHE 24 3.028 -20.350 1.229 198 HE2 PHE 24 HE1 PHE 24 1.872 -17.834 4.509 199 HZ PHE 24 HZ PHE 24 3.692 -18.969 3.167 200 H TYR 25 H TYR 25 -1.696 -20.524 -1.137 201 HA TYR 25 HA TYR 25 1.001 -20.914 -1.999 202 HB2 TYR 25 HB2 TYR 25 -1.525 -22.492 -2.192 203 HB3 TYR 25 HB3 TYR 25 -0.268 -22.857 -3.344 204 HD1 TYR 25 HD2 TYR 25 -0.709 -22.412 0.380 205 HD2 TYR 25 HD1 TYR 25 1.537 -24.228 -2.801 206 HE1 TYR 25 HE2 TYR 25 0.348 -23.927 1.993 207 HE2 TYR 25 HE1 TYR 25 2.503 -25.890 -1.149 208 HH TYR 25 HH TYR 25 1.831 -25.785 2.322 209 H LYS 26 H LYS 26 -1.816 -19.667 -3.748 210 HA LYS 26 HA LYS 26 -1.025 -19.655 -6.383 211 HB2 LYS 26 HB2 LYS 26 -2.330 -17.684 -6.663 212 HB3 LYS 26 HB3 LYS 26 -3.044 -18.508 -5.279 213 HG2 LYS 26 HG2 LYS 26 -3.047 -16.432 -4.456 214 HG3 LYS 26 HG3 LYS 26 -1.500 -16.994 -3.848 215 HD2 LYS 26 HD2 LYS 26 -1.161 -14.769 -4.558 216 HD3 LYS 26 HD3 LYS 26 -0.384 -15.752 -5.779 217 HE2 LYS 26 HE2 LYS 26 -1.534 -13.986 -6.889 218 HE3 LYS 26 HE3 LYS 26 -2.363 -15.509 -7.262 219 HZ1 LYS 26 HZ3 LYS 26 -3.957 -14.920 -5.471 220 HZ2 LYS 26 HZ1 LYS 26 -3.190 -13.473 -5.281 221 HZ3 LYS 26 HZ2 LYS 26 -3.952 -13.806 -6.692 222 H THR 27 H THR 27 0.487 -17.840 -3.815 223 HA THR 27 HA THR 27 2.452 -16.558 -5.594 224 HB THR 27 HB THR 27 2.924 -15.869 -2.839 225 HG1 THR 27 HG1 THR 27 0.762 -16.543 -2.366 226 HG21 THR 27 HG23 THR 27 3.223 -14.410 -4.790 227 HG22 THR 27 HG21 THR 27 1.457 -14.368 -5.024 228 HG23 THR 27 HG22 THR 27 2.186 -13.689 -3.550 229 H LEU 28 H LEU 28 2.647 -18.303 -2.444 230 HA LEU 28 HA LEU 28 5.361 -18.526 -2.234 231 HB2 LEU 28 HB2 LEU 28 4.064 -19.319 -0.448 232 HB3 LEU 28 HB3 LEU 28 3.138 -20.390 -1.497 233 HG LEU 28 HG LEU 28 5.948 -21.224 -1.572 234 HD11 LEU 28 HD11 LEU 28 4.891 -21.437 1.177 235 HD12 LEU 28 HD12 LEU 28 6.484 -21.802 0.546 236 HD13 LEU 28 HD13 LEU 28 5.976 -20.101 0.688 237 HD21 LEU 28 HD23 LEU 28 3.440 -22.543 -0.526 238 HD22 LEU 28 HD21 LEU 28 4.003 -22.556 -2.220 239 HD23 LEU 28 HD22 LEU 28 4.969 -23.336 -0.941 240 H ARG 29 H ARG 29 3.363 -20.636 -4.224 241 HA ARG 29 HA ARG 29 5.301 -22.581 -4.953 242 HB2 ARG 29 HB2 ARG 29 3.829 -23.229 -6.692 243 HB3 ARG 29 HB3 ARG 29 2.877 -22.734 -5.288 244 HG2 ARG 29 HG2 ARG 29 2.560 -20.482 -6.407 245 HG3 ARG 29 HG3 ARG 29 3.382 -21.128 -7.834 246 HD2 ARG 29 HD2 ARG 29 1.666 -22.980 -7.894 247 HD3 ARG 29 HD3 ARG 29 0.757 -22.119 -6.648 248 HE ARG 29 HE ARG 29 0.931 -20.158 -8.468 249 HH11 ARG 29 HH11 ARG 29 0.105 -23.579 -9.108 250 HH12 ARG 29 HH12 ARG 29 -0.638 -23.103 -10.641 251 HH21 ARG 29 HH21 ARG 29 -0.115 -19.852 -10.546 252 HH22 ARG 29 HH22 ARG 29 -0.741 -21.308 -11.334 253 H ALA 30 H ALA 30 5.175 -19.307 -6.102 254 HA ALA 30 HA ALA 30 7.213 -19.900 -8.209 255 HB1 ALA 30 HB3 ALA 30 4.967 -19.405 -9.140 256 HB2 ALA 30 HB1 ALA 30 4.944 -17.863 -8.240 257 HB3 ALA 30 HB2 ALA 30 6.135 -18.127 -9.530 258 H GLU 31 H GLU 31 7.210 -18.837 -5.261 259 HA GLU 31 HA GLU 31 9.136 -16.582 -5.671 260 HB2 GLU 31 HB2 GLU 31 7.490 -15.210 -5.069 261 HB3 GLU 31 HB3 GLU 31 6.433 -16.497 -4.580 262 HG2 GLU 31 HG2 GLU 31 6.705 -14.956 -2.792 263 HG3 GLU 31 HG3 GLU 31 7.296 -16.540 -2.343 264 H GLN 32 H GLN 32 7.789 -18.563 -2.968 265 HA GLN 32 HA GLN 32 10.493 -19.080 -1.887 266 HB2 GLN 32 HB2 GLN 32 7.678 -19.912 -1.102 267 HB3 GLN 32 HB3 GLN 32 9.100 -20.493 -0.250 268 HG2 GLN 32 HG2 GLN 32 8.249 -17.576 -0.477 269 HG3 GLN 32 HG3 GLN 32 7.991 -18.601 0.919 270 HE21 GLN 32 HE22 GLN 32 9.998 -16.187 -0.176 271 HE22 GLN 32 HE21 GLN 32 11.441 -16.647 0.717 272 H ALA 33 H ALA 33 8.460 -20.527 -4.178 273 HA ALA 33 HA ALA 33 8.300 -22.406 -5.336 274 HB1 ALA 33 HB3 ALA 33 10.594 -21.810 -5.914 275 HB2 ALA 33 HB1 ALA 33 11.206 -22.827 -4.588 276 HB3 ALA 33 HB2 ALA 33 10.339 -23.565 -5.953 277 H SER 34 H SER 34 9.193 -22.991 -2.023 278 HA SER 34 HA SER 34 8.934 -25.799 -1.983 279 HB2 SER 34 HB2 SER 34 10.042 -24.146 -0.289 280 HB3 SER 34 HB3 SER 34 8.446 -24.163 0.504 281 HG SER 34 HG SER 34 9.428 -25.926 1.355 282 H GLN 35 H GLN 35 6.742 -25.205 -3.376 283 HA GLN 35 HA GLN 35 4.263 -25.402 -1.920 284 HB2 GLN 35 HB2 GLN 35 4.302 -24.611 -4.190 285 HB3 GLN 35 HB3 GLN 35 5.142 -26.057 -4.753 286 HG2 GLN 35 HG2 GLN 35 3.131 -27.425 -4.355 287 HG3 GLN 35 HG3 GLN 35 2.281 -26.031 -3.695 288 HE21 GLN 35 HE22 GLN 35 3.745 -27.424 -6.600 289 HE22 GLN 35 HE21 GLN 35 2.826 -26.413 -7.721 290 H GLU 36 H GLU 36 6.775 -27.489 -2.556 291 HA GLU 36 HA GLU 36 5.815 -30.146 -2.522 292 HB2 GLU 36 HB2 GLU 36 8.047 -28.964 -3.121 293 HB3 GLU 36 HB3 GLU 36 8.385 -28.981 -1.386 294 HG2 GLU 36 HG2 GLU 36 8.211 -31.439 -1.418 295 HG3 GLU 36 HG3 GLU 36 7.832 -31.389 -3.151 296 H VAL 37 H VAL 37 6.388 -31.701 -0.737 297 HA VAL 37 HA VAL 37 5.137 -31.340 1.757 298 HB VAL 37 HB VAL 37 5.935 -33.461 0.681 299 HG11 VAL 37 HG11 VAL 37 8.583 -32.941 2.074 300 HG12 VAL 37 HG12 VAL 37 8.086 -34.401 1.206 301 HG13 VAL 37 HG13 VAL 37 8.326 -32.898 0.312 302 HG21 VAL 37 HG23 VAL 37 6.615 -33.134 3.639 303 HG22 VAL 37 HG21 VAL 37 4.986 -33.374 2.964 304 HG23 VAL 37 HG22 VAL 37 6.196 -34.645 2.802 305 H LYS 38 H LYS 38 8.310 -30.441 0.791 306 HA LYS 38 HA LYS 38 9.400 -29.479 3.299 307 HB2 LYS 38 HB2 LYS 38 9.980 -29.005 0.377 308 HB3 LYS 38 HB3 LYS 38 10.780 -28.003 1.585 309 HG2 LYS 38 HG2 LYS 38 12.158 -29.615 2.309 310 HG3 LYS 38 HG3 LYS 38 10.916 -30.862 2.292 311 HD2 LYS 38 HD2 LYS 38 12.765 -31.366 0.745 312 HD3 LYS 38 HD3 LYS 38 11.184 -31.270 -0.024 313 HE2 LYS 38 HE2 LYS 38 11.759 -28.894 -0.728 314 HE3 LYS 38 HE3 LYS 38 13.405 -29.170 -0.134 315 HZ1 LYS 38 HZ3 LYS 38 13.573 -30.981 -1.801 316 HZ2 LYS 38 HZ1 LYS 38 11.982 -30.793 -2.174 317 HZ3 LYS 38 HZ2 LYS 38 12.969 -29.622 -2.579 318 H ASN 39 H ASN 39 6.577 -28.490 2.177 319 HA ASN 39 HA ASN 39 6.295 -25.757 2.479 320 HB2 ASN 39 HB2 ASN 39 4.297 -26.868 2.039 321 HB3 ASN 39 HB3 ASN 39 4.717 -28.257 3.045 322 HD21 ASN 39 HD22 ASN 39 3.436 -24.962 3.192 323 HD22 ASN 39 HD21 ASN 39 2.600 -25.300 4.709 324 H ALA 40 H ALA 40 6.890 -28.153 5.069 325 HA ALA 40 HA ALA 40 6.884 -26.417 7.318 326 HB1 ALA 40 HB3 ALA 40 6.640 -28.869 7.384 327 HB2 ALA 40 HB1 ALA 40 8.325 -29.059 6.837 328 HB3 ALA 40 HB2 ALA 40 7.967 -28.326 8.413 329 H MET 41 H MET 41 8.516 -25.203 5.154 330 HA MET 41 HA MET 41 10.937 -24.586 6.781 331 HB2 MET 41 HB2 MET 41 10.793 -24.769 3.739 332 HB3 MET 41 HB3 MET 41 12.178 -24.226 4.690 333 HG2 MET 41 HG2 MET 41 12.213 -26.470 5.820 334 HG3 MET 41 HG3 MET 41 10.952 -27.004 4.724 335 HE1 MET 41 HE3 MET 41 14.209 -24.741 3.885 336 HE2 MET 41 HE1 MET 41 14.666 -25.927 5.130 337 HE3 MET 41 HE2 MET 41 15.324 -26.061 3.484 338 H THR 42 H THR 42 8.035 -23.373 5.644 339 HA THR 42 HA THR 42 9.019 -20.573 5.705 340 HB THR 42 HB THR 42 7.171 -20.357 3.719 341 HG1 THR 42 HG1 THR 42 7.867 -22.073 2.239 342 HG21 THR 42 HG23 THR 42 9.498 -19.558 3.604 343 HG22 THR 42 HG21 THR 42 10.074 -21.224 3.383 344 HG23 THR 42 HG22 THR 42 9.071 -20.462 2.140 345 H GLU 43 H GLU 43 7.195 -18.996 5.622 346 HA GLU 43 HA GLU 43 5.476 -19.242 7.863 347 HB2 GLU 43 HB2 GLU 43 4.470 -17.103 6.819 348 HB3 GLU 43 HB3 GLU 43 6.178 -17.118 7.295 349 HG2 GLU 43 HG2 GLU 43 6.720 -17.546 4.818 350 HG3 GLU 43 HG3 GLU 43 5.001 -17.326 4.503 351 H THR 44 H THR 44 4.984 -20.454 4.840 352 HA THR 44 HA THR 44 2.222 -20.698 4.424 353 HB THR 44 HB THR 44 3.831 -21.443 2.868 354 HG1 THR 44 HG1 THR 44 2.193 -23.507 3.823 355 HG21 THR 44 HG23 THR 44 5.548 -22.334 4.269 356 HG22 THR 44 HG21 THR 44 4.549 -23.645 4.800 357 HG23 THR 44 HG22 THR 44 5.065 -23.554 3.088 358 H LEU 45 H LEU 45 1.770 -20.526 6.724 359 HA LEU 45 HA LEU 45 1.477 -22.451 8.594 360 HB2 LEU 45 HB2 LEU 45 -1.032 -21.068 8.519 361 HB3 LEU 45 HB3 LEU 45 0.302 -20.924 9.630 362 HG LEU 45 HG LEU 45 1.186 -19.040 8.373 363 HD11 LEU 45 HD11 LEU 45 -1.284 -19.285 6.575 364 HD12 LEU 45 HD12 LEU 45 -0.136 -17.934 6.593 365 HD13 LEU 45 HD13 LEU 45 0.375 -19.493 5.999 366 HD21 LEU 45 HD23 LEU 45 -1.787 -18.960 8.943 367 HD22 LEU 45 HD21 LEU 45 -0.440 -18.696 10.104 368 HD23 LEU 45 HD22 LEU 45 -0.720 -17.556 8.776 369 H LEU 46 H LEU 46 0.344 -23.333 5.686 370 HA LEU 46 HA LEU 46 -1.628 -25.214 6.525 371 HB2 LEU 46 HB2 LEU 46 -3.362 -24.286 4.876 372 HB3 LEU 46 HB3 LEU 46 -3.251 -23.625 6.470 373 HG LEU 46 HG LEU 46 -3.464 -22.199 4.168 374 HD11 LEU 46 HD11 LEU 46 -2.468 -21.336 6.844 375 HD12 LEU 46 HD12 LEU 46 -2.998 -20.234 5.541 376 HD13 LEU 46 HD13 LEU 46 -4.136 -21.396 6.244 377 HD21 LEU 46 HD23 LEU 46 -0.679 -21.405 4.964 378 HD22 LEU 46 HD21 LEU 46 -0.951 -22.519 3.620 379 HD23 LEU 46 HD22 LEU 46 -1.644 -20.892 3.589 380 H VAL 47 H VAL 47 -2.532 -26.385 4.404 381 HA VAL 47 HA VAL 47 -0.409 -26.574 2.361 382 HB VAL 47 HB VAL 47 -1.477 -28.971 3.915 383 HG11 VAL 47 HG11 VAL 47 0.726 -28.673 1.823 384 HG12 VAL 47 HG12 VAL 47 0.409 -30.142 2.771 385 HG13 VAL 47 HG13 VAL 47 -0.810 -29.567 1.642 386 HG21 VAL 47 HG23 VAL 47 1.162 -27.475 4.116 387 HG22 VAL 47 HG21 VAL 47 -0.052 -27.737 5.392 388 HG23 VAL 47 HG22 VAL 47 0.892 -29.093 4.783 389 H GLN 48 H GLN 48 -1.101 -27.157 0.459 390 HA GLN 48 HA GLN 48 -3.615 -26.658 -0.534 391 HB2 GLN 48 HB2 GLN 48 -1.932 -28.742 -1.870 392 HB3 GLN 48 HB3 GLN 48 -2.970 -27.523 -2.575 393 HG2 GLN 48 HG2 GLN 48 -1.254 -26.152 -2.809 394 HG3 GLN 48 HG3 GLN 48 -0.871 -26.157 -1.112 395 HE21 GLN 48 HE22 GLN 48 1.017 -27.454 -0.404 396 HE22 GLN 48 HE21 GLN 48 1.852 -28.482 -1.527 397 H ASN 49 H ASN 49 -2.142 -29.753 0.226 398 HA ASN 49 HA ASN 49 -4.546 -31.355 -0.308 399 HB2 ASN 49 HB2 ASN 49 -2.095 -31.774 -1.145 400 HB3 ASN 49 HB3 ASN 49 -1.788 -32.356 0.483 401 HD21 ASN 49 HD22 ASN 49 -2.786 -34.276 1.089 402 HD22 ASN 49 HD21 ASN 49 -3.261 -35.447 -0.120 403 H ALA 50 H ALA 50 -4.445 -29.548 2.116 404 HA ALA 50 HA ALA 50 -4.061 -30.957 4.493 405 HB1 ALA 50 HB3 ALA 50 -4.482 -28.628 4.535 406 HB2 ALA 50 HB1 ALA 50 -6.035 -28.803 3.687 407 HB3 ALA 50 HB2 ALA 50 -5.854 -29.383 5.361 408 H ASN 51 H ASN 51 -6.547 -31.506 2.183 409 HA ASN 51 HA ASN 51 -7.966 -33.313 1.872 410 HB2 ASN 51 HB2 ASN 51 -5.781 -34.313 3.203 411 HB3 ASN 51 HB3 ASN 51 -7.028 -34.685 4.374 412 HD21 ASN 51 HD22 ASN 51 -7.441 -36.796 4.148 413 HD22 ASN 51 HD21 ASN 51 -7.533 -37.642 2.586 414 HA PRO 52 HA PRO 52 -11.393 -32.570 4.864 415 HB2 PRO 52 HB2 PRO 52 -12.158 -34.994 6.017 416 HB3 PRO 52 HB3 PRO 52 -12.785 -34.313 4.487 417 HG2 PRO 52 HG2 PRO 52 -10.611 -36.370 4.874 418 HG3 PRO 52 HG3 PRO 52 -11.927 -36.355 3.661 419 HD2 PRO 52 HD2 PRO 52 -9.462 -35.603 2.996 420 HD3 PRO 52 HD3 PRO 52 -10.839 -34.689 2.367 421 H ASP 53 H ASP 53 -8.951 -34.934 5.906 422 HA ASP 53 HA ASP 53 -9.190 -34.851 8.608 423 HB2 ASP 53 HB2 ASP 53 -6.571 -35.233 7.114 424 HB3 ASP 53 HB3 ASP 53 -7.026 -35.919 8.676 425 H CYS 54 H CYS 54 -6.430 -33.065 7.029 426 HA CYS 54 HA CYS 54 -5.545 -32.163 9.621 427 HB2 CYS 54 HB2 CYS 54 -3.763 -31.857 8.327 428 HB3 CYS 54 HB3 CYS 54 -4.742 -31.779 6.863 429 HG CYS 54 HG CYS 54 -2.940 -29.813 7.261 430 H LYS 55 H LYS 55 -7.314 -30.380 7.205 431 HA LYS 55 HA LYS 55 -7.951 -27.947 8.498 432 HB2 LYS 55 HB2 LYS 55 -9.475 -29.878 6.778 433 HB3 LYS 55 HB3 LYS 55 -10.274 -28.394 7.316 434 HG2 LYS 55 HG2 LYS 55 -8.975 -26.987 6.043 435 HG3 LYS 55 HG3 LYS 55 -7.551 -28.004 6.130 436 HD2 LYS 55 HD2 LYS 55 -8.377 -27.759 3.858 437 HD3 LYS 55 HD3 LYS 55 -8.323 -29.430 4.338 438 HE2 LYS 55 HE2 LYS 55 -10.872 -27.730 4.429 439 HE3 LYS 55 HE3 LYS 55 -10.356 -28.641 3.002 440 HZ1 LYS 55 HZ3 LYS 55 -10.345 -30.649 4.422 441 HZ2 LYS 55 HZ1 LYS 55 -11.055 -29.823 5.625 442 HZ3 LYS 55 HZ2 LYS 55 -11.855 -30.027 4.197 443 H THR 56 H THR 56 -9.767 -31.003 8.941 444 HA THR 56 HA THR 56 -11.645 -29.899 10.818 445 HB THR 56 HB THR 56 -10.987 -32.815 10.257 446 HG1 THR 56 HG1 THR 56 -11.566 -32.169 8.363 447 HG21 THR 56 HG23 THR 56 -12.508 -32.601 12.171 448 HG22 THR 56 HG21 THR 56 -13.523 -31.450 11.271 449 HG23 THR 56 HG22 THR 56 -13.412 -33.148 10.755 450 H ILE 57 H ILE 57 -8.468 -31.176 11.118 451 HA ILE 57 HA ILE 57 -8.794 -31.881 14.011 452 HB ILE 57 HB ILE 57 -6.493 -32.257 12.081 453 HG12 ILE 57 HG12 ILE 57 -8.094 -34.421 13.498 454 HG13 ILE 57 HG13 ILE 57 -8.681 -33.718 11.999 455 HG21 ILE 57 HG21 ILE 57 -6.694 -33.016 15.037 456 HG22 ILE 57 HG22 ILE 57 -5.449 -33.631 13.931 457 HG23 ILE 57 HG23 ILE 57 -5.502 -31.920 14.301 458 HD11 ILE 57 HD13 ILE 57 -6.513 -34.256 10.891 459 HD12 ILE 57 HD11 ILE 57 -6.025 -35.148 12.348 460 HD13 ILE 57 HD12 ILE 57 -7.440 -35.678 11.414 461 H LEU 58 H LEU 58 -6.347 -29.914 12.136 462 HA LEU 58 HA LEU 58 -5.370 -28.577 14.406 463 HB2 LEU 58 HB2 LEU 58 -5.467 -27.600 11.500 464 HB3 LEU 58 HB3 LEU 58 -4.462 -26.952 12.795 465 HG LEU 58 HG LEU 58 -3.574 -29.393 13.021 466 HD11 LEU 58 HD11 LEU 58 -4.670 -29.410 10.260 467 HD12 LEU 58 HD12 LEU 58 -3.355 -30.517 10.717 468 HD13 LEU 58 HD13 LEU 58 -4.894 -30.644 11.533 469 HD21 LEU 58 HD23 LEU 58 -2.973 -27.413 10.797 470 HD22 LEU 58 HD21 LEU 58 -2.070 -27.682 12.321 471 HD23 LEU 58 HD22 LEU 58 -1.972 -28.844 10.976 472 H LYS 59 H LYS 59 -8.250 -27.918 12.500 473 HA LYS 59 HA LYS 59 -8.998 -25.425 13.493 474 HB2 LYS 59 HB2 LYS 59 -10.476 -27.900 12.790 475 HB3 LYS 59 HB3 LYS 59 -11.384 -26.729 13.719 476 HG2 LYS 59 HG2 LYS 59 -9.822 -25.689 11.355 477 HG3 LYS 59 HG3 LYS 59 -11.283 -26.613 11.062 478 HD2 LYS 59 HD2 LYS 59 -11.648 -24.130 11.135 479 HD3 LYS 59 HD3 LYS 59 -12.651 -25.035 12.285 480 HE2 LYS 59 HE2 LYS 59 -11.128 -24.465 14.125 481 HE3 LYS 59 HE3 LYS 59 -10.026 -23.656 13.006 482 HZ1 LYS 59 HZ3 LYS 59 -11.598 -21.956 12.638 483 HZ2 LYS 59 HZ1 LYS 59 -12.784 -22.705 13.578 484 HZ3 LYS 59 HZ2 LYS 59 -11.353 -22.090 14.154 485 H ALA 60 H ALA 60 -8.790 -28.303 15.396 486 HA ALA 60 HA ALA 60 -9.394 -26.702 17.864 487 HB1 ALA 60 HB3 ALA 60 -11.019 -28.519 17.472 488 HB2 ALA 60 HB1 ALA 60 -9.685 -29.700 17.402 489 HB3 ALA 60 HB2 ALA 60 -10.033 -28.834 18.915 490 H LEU 61 H LEU 61 -6.832 -27.909 16.115 491 HA LEU 61 HA LEU 61 -5.123 -28.314 18.506 492 HB2 LEU 61 HB2 LEU 61 -5.963 -30.268 16.677 493 HB3 LEU 61 HB3 LEU 61 -4.389 -29.865 16.094 494 HG LEU 61 HG LEU 61 -3.496 -30.194 18.474 495 HD11 LEU 61 HD11 LEU 61 -6.253 -31.442 18.885 496 HD12 LEU 61 HD12 LEU 61 -4.875 -31.586 19.999 497 HD13 LEU 61 HD13 LEU 61 -5.637 -30.016 19.732 498 HD21 LEU 61 HD23 LEU 61 -4.852 -32.574 17.136 499 HD22 LEU 61 HD21 LEU 61 -3.249 -31.920 16.753 500 HD23 LEU 61 HD22 LEU 61 -3.533 -32.667 18.328 501 H GLY 62 H GLY 62 -5.242 -25.803 17.421 502 HA2 GLY 62 HA2 GLY 62 -2.614 -25.454 16.031 503 HA3 GLY 62 HA3 GLY 62 -3.901 -24.267 16.140 504 HA PRO 63 HA PRO 63 -1.951 -23.687 20.420 505 HB2 PRO 63 HB2 PRO 63 -0.352 -25.459 21.702 506 HB3 PRO 63 HB3 PRO 63 -2.096 -25.778 21.500 507 HG2 PRO 63 HG2 PRO 63 0.166 -26.756 19.710 508 HG3 PRO 63 HG3 PRO 63 -1.088 -27.746 20.528 509 HD2 PRO 63 HD2 PRO 63 -1.380 -26.892 17.960 510 HD3 PRO 63 HD3 PRO 63 -2.770 -26.988 19.093 511 H ALA 64 H ALA 64 -0.738 -23.148 17.892 512 HA ALA 64 HA ALA 64 1.033 -22.265 16.822 513 HB1 ALA 64 HB3 ALA 64 0.487 -20.612 18.581 514 HB2 ALA 64 HB1 ALA 64 1.766 -21.312 19.602 515 HB3 ALA 64 HB2 ALA 64 2.189 -20.537 18.067 516 H ALA 65 H ALA 65 1.838 -24.975 18.480 517 HA ALA 65 HA ALA 65 4.550 -24.973 17.180 518 HB1 ALA 65 HB3 ALA 65 4.797 -24.714 19.608 519 HB2 ALA 65 HB1 ALA 65 3.805 -26.164 19.892 520 HB3 ALA 65 HB2 ALA 65 5.378 -26.297 19.065 521 H THR 66 H THR 66 2.356 -27.539 18.669 522 HA THR 66 HA THR 66 3.204 -29.541 17.009 523 HB THR 66 HB THR 66 0.253 -29.558 17.495 524 HG1 THR 66 HG1 THR 66 0.756 -30.127 19.692 525 HG21 THR 66 HG23 THR 66 1.512 -31.561 16.699 526 HG22 THR 66 HG21 THR 66 2.497 -31.517 18.160 527 HG23 THR 66 HG22 THR 66 0.746 -31.837 18.271 528 H LEU 67 H LEU 67 1.265 -26.947 15.902 529 HA LEU 67 HA LEU 67 -0.062 -27.885 13.607 530 HB2 LEU 67 HB2 LEU 67 0.010 -25.672 14.655 531 HB3 LEU 67 HB3 LEU 67 1.584 -25.368 13.949 532 HG LEU 67 HG LEU 67 -1.164 -25.301 12.681 533 HD11 LEU 67 HD11 LEU 67 1.423 -23.747 12.274 534 HD12 LEU 67 HD12 LEU 67 -0.169 -23.332 11.593 535 HD13 LEU 67 HD13 LEU 67 0.092 -23.259 13.354 536 HD21 LEU 67 HD23 LEU 67 1.311 -25.992 11.090 537 HD22 LEU 67 HD21 LEU 67 -0.161 -26.985 11.314 538 HD23 LEU 67 HD22 LEU 67 -0.233 -25.451 10.413 539 H GLU 68 H GLU 68 3.392 -26.919 13.946 540 HA GLU 68 HA GLU 68 4.160 -27.061 11.330 541 HB2 GLU 68 HB2 GLU 68 5.755 -28.158 13.740 542 HB3 GLU 68 HB3 GLU 68 6.479 -27.598 12.219 543 HG2 GLU 68 HG2 GLU 68 5.709 -25.327 12.691 544 HG3 GLU 68 HG3 GLU 68 4.846 -25.884 14.098 545 H GLU 69 H GLU 69 3.773 -29.897 13.423 546 HA GLU 69 HA GLU 69 4.511 -31.703 11.162 547 HB2 GLU 69 HB2 GLU 69 4.035 -33.546 12.489 548 HB3 GLU 69 HB3 GLU 69 4.888 -32.407 13.526 549 HG2 GLU 69 HG2 GLU 69 2.969 -31.944 14.815 550 HG3 GLU 69 HG3 GLU 69 1.851 -32.586 13.639 551 H MET 70 H MET 70 1.548 -30.456 12.660 552 HA MET 70 HA MET 70 -0.270 -32.375 11.591 553 HB2 MET 70 HB2 MET 70 -0.673 -29.578 12.532 554 HB3 MET 70 HB3 MET 70 -1.957 -30.782 12.252 555 HG2 MET 70 HG2 MET 70 0.204 -31.418 14.114 556 HG3 MET 70 HG3 MET 70 -1.030 -30.229 14.571 557 HE1 MET 70 HE3 MET 70 -0.326 -33.910 13.266 558 HE2 MET 70 HE1 MET 70 0.001 -33.770 15.003 559 HE3 MET 70 HE2 MET 70 -1.318 -34.807 14.433 560 H MET 71 H MET 71 0.974 -29.447 10.421 561 HA MET 71 HA MET 71 -0.677 -28.405 8.488 562 HB2 MET 71 HB2 MET 71 1.624 -27.707 9.424 563 HB3 MET 71 HB3 MET 71 2.364 -28.716 8.212 564 HG2 MET 71 HG2 MET 71 1.853 -27.195 6.497 565 HG3 MET 71 HG3 MET 71 0.383 -26.655 7.301 566 HE1 MET 71 HE3 MET 71 4.069 -26.936 8.818 567 HE2 MET 71 HE1 MET 71 4.330 -26.302 7.175 568 HE3 MET 71 HE2 MET 71 4.633 -25.267 8.581 569 H THR 72 H THR 72 1.880 -30.804 7.885 570 HA THR 72 HA THR 72 0.745 -31.747 5.333 571 HB THR 72 HB THR 72 3.134 -32.944 5.697 572 HG1 THR 72 HG1 THR 72 3.933 -30.445 6.487 573 HG21 THR 72 HG23 THR 72 2.532 -31.594 3.694 574 HG22 THR 72 HG21 THR 72 2.901 -30.107 4.599 575 HG23 THR 72 HG22 THR 72 4.189 -31.272 4.237 576 H ALA 73 H ALA 73 1.351 -32.968 8.681 577 HA ALA 73 HA ALA 73 1.870 -35.610 8.124 578 HB1 ALA 73 HB3 ALA 73 1.903 -34.759 10.387 579 HB2 ALA 73 HB1 ALA 73 0.147 -34.465 10.359 580 HB3 ALA 73 HB2 ALA 73 0.787 -36.123 10.326 581 H CYS 74 H CYS 74 -1.193 -34.049 7.709 582 HA CYS 74 HA CYS 74 -2.947 -36.316 7.512 583 HB2 CYS 74 HB2 CYS 74 -4.436 -34.810 6.349 584 HB3 CYS 74 HB3 CYS 74 -3.641 -33.915 7.672 585 HG CYS 74 HG CYS 74 -4.018 -32.934 4.917 586 H GLN 75 H GLN 75 -0.457 -35.272 5.228 587 HA GLN 75 HA GLN 75 -1.552 -36.656 2.929 588 HB2 GLN 75 HB2 GLN 75 0.346 -35.931 1.812 589 HB3 GLN 75 HB3 GLN 75 0.012 -34.648 2.980 590 HG2 GLN 75 HG2 GLN 75 2.111 -34.747 3.653 591 HG3 GLN 75 HG3 GLN 75 1.785 -36.317 4.357 592 HE21 GLN 75 HE22 GLN 75 1.805 -38.100 2.204 593 HE22 GLN 75 HE21 GLN 75 3.338 -37.901 1.331 594 H GLY 76 H GLY 76 -0.327 -37.816 5.808 595 HA2 GLY 76 HA2 GLY 76 0.219 -40.510 4.631 596 HA3 GLY 76 HA3 GLY 76 0.934 -39.915 6.142 597 H VAL 77 H VAL 77 -2.372 -39.023 5.466 598 HA VAL 77 HA VAL 77 -3.383 -41.146 7.367 599 HB VAL 77 HB VAL 77 -4.245 -38.240 7.188 600 HG11 VAL 77 HG11 VAL 77 -5.280 -40.485 8.969 601 HG12 VAL 77 HG12 VAL 77 -5.658 -38.757 9.169 602 HG13 VAL 77 HG13 VAL 77 -6.204 -39.605 7.732 603 HG21 VAL 77 HG23 VAL 77 -2.850 -39.821 9.394 604 HG22 VAL 77 HG21 VAL 77 -2.094 -38.571 8.393 605 HG23 VAL 77 HG22 VAL 77 -3.390 -38.132 9.515 606 H GLY 78 H GLY 78 -4.398 -39.102 4.565 607 HA2 GLY 78 HA2 GLY 78 -5.877 -41.375 3.469 608 HA3 GLY 78 HA3 GLY 78 -6.928 -40.203 4.256 609 H GLY 79 H GLY 79 -4.081 -39.109 2.382 610 HA2 GLY 79 HA2 GLY 79 -5.878 -38.201 0.163 611 HA3 GLY 79 HA3 GLY 79 -5.095 -37.014 1.188 612 HA PRO 80 HA PRO 80 -1.631 -39.211 -1.245 613 HB2 PRO 80 HB2 PRO 80 -2.135 -40.160 -3.769 614 HB3 PRO 80 HB3 PRO 80 -2.415 -41.100 -2.274 615 HG2 PRO 80 HG2 PRO 80 -4.438 -39.491 -3.861 616 HG3 PRO 80 HG3 PRO 80 -4.591 -41.175 -3.262 617 HD2 PRO 80 HD2 PRO 80 -5.655 -39.065 -1.908 618 HD3 PRO 80 HD3 PRO 80 -4.926 -40.446 -1.037 619 H GLY 81 H GLY 81 -3.808 -36.959 -2.958 620 HA2 GLY 81 HA2 GLY 81 -2.110 -34.878 -3.232 621 HA3 GLY 81 HA3 GLY 81 -1.551 -35.883 -4.542 622 H HIS 82 H HIS 82 -3.703 -33.440 -3.759 623 HA HIS 82 HA HIS 82 -5.727 -33.619 -5.677 624 HB2 HIS 82 HB2 HIS 82 -6.087 -31.332 -5.340 625 HB3 HIS 82 HB3 HIS 82 -5.397 -31.893 -3.827 626 HD2 HIS 82 HD2 HIS 82 -2.531 -31.408 -3.703 627 HE1 HIS 82 HE1 HIS 82 -2.840 -27.827 -5.988 628 HE2 HIS 82 HE2 HIS 82 -1.344 -29.160 -4.418 629 H LYS 83 H LYS 83 -2.892 -34.188 -6.853 630 HA LYS 83 HA LYS 83 -2.193 -32.091 -8.642 631 HB2 LYS 83 HB2 LYS 83 -0.802 -34.104 -7.597 632 HB3 LYS 83 HB3 LYS 83 -1.263 -34.925 -9.084 633 HG2 LYS 83 HG2 LYS 83 -0.369 -32.453 -10.046 634 HG3 LYS 83 HG3 LYS 83 0.575 -32.608 -8.587 635 HD2 LYS 83 HD2 LYS 83 1.864 -33.458 -10.433 636 HD3 LYS 83 HD3 LYS 83 1.445 -34.805 -9.377 637 HE2 LYS 83 HE2 LYS 83 1.240 -35.436 -11.744 638 HE3 LYS 83 HE3 LYS 83 -0.319 -35.534 -10.920 639 HZ1 LYS 83 HZ3 LYS 83 -0.968 -33.461 -11.890 640 HZ2 LYS 83 HZ1 LYS 83 0.501 -33.231 -12.609 641 HZ3 LYS 83 HZ2 LYS 83 -0.501 -34.446 -13.096 642 H ALA 84 H ALA 84 -4.947 -33.581 -9.107 643 HA ALA 84 HA ALA 84 -4.843 -34.064 -12.022 644 HB1 ALA 84 HB3 ALA 84 -6.522 -35.207 -10.600 645 HB2 ALA 84 HB1 ALA 84 -7.188 -33.629 -10.111 646 HB3 ALA 84 HB2 ALA 84 -7.293 -34.157 -11.804 647 H ARG 85 H ARG 85 -5.035 -31.376 -9.844 648 HA ARG 85 HA ARG 85 -6.208 -29.321 -11.438 649 HB2 ARG 85 HB2 ARG 85 -5.844 -29.346 -9.019 650 HB3 ARG 85 HB3 ARG 85 -4.099 -29.212 -9.260 651 HG2 ARG 85 HG2 ARG 85 -4.304 -27.020 -10.182 652 HG3 ARG 85 HG3 ARG 85 -6.060 -27.145 -10.376 653 HD2 ARG 85 HD2 ARG 85 -4.866 -27.480 -7.636 654 HD3 ARG 85 HD3 ARG 85 -4.882 -25.862 -8.345 655 HE ARG 85 HE ARG 85 -7.180 -25.755 -8.243 656 HH11 ARG 85 HH11 ARG 85 -6.169 -28.800 -6.842 657 HH12 ARG 85 HH12 ARG 85 -7.753 -29.152 -6.231 658 HH21 ARG 85 HH21 ARG 85 -9.161 -26.259 -7.441 659 HH22 ARG 85 HH22 ARG 85 -9.423 -27.778 -6.631 660 H VAL 86 H VAL 86 -5.434 -27.951 -12.901 661 HA VAL 86 HA VAL 86 -2.959 -28.321 -14.357 662 HB VAL 86 HB VAL 86 -5.126 -27.636 -15.322 663 HG11 VAL 86 HG11 VAL 86 -4.657 -24.921 -14.033 664 HG12 VAL 86 HG12 VAL 86 -5.926 -25.336 -15.194 665 HG13 VAL 86 HG13 VAL 86 -5.931 -26.071 -13.585 666 HG21 VAL 86 HG23 VAL 86 -3.124 -25.453 -15.934 667 HG22 VAL 86 HG21 VAL 86 -2.942 -27.146 -16.488 668 HG23 VAL 86 HG22 VAL 86 -4.343 -26.182 -16.973 669 H LEU 87 H LEU 87 -1.714 -26.093 -14.839 670 HA LEU 87 HA LEU 87 -0.452 -25.172 -12.346 671 HB2 LEU 87 HB2 LEU 87 0.015 -24.458 -15.276 672 HB3 LEU 87 HB3 LEU 87 1.010 -23.924 -13.934 673 HG LEU 87 HG LEU 87 0.694 -26.812 -14.881 674 HD11 LEU 87 HD11 LEU 87 3.047 -24.886 -15.021 675 HD12 LEU 87 HD12 LEU 87 3.027 -26.576 -15.579 676 HD13 LEU 87 HD13 LEU 87 2.011 -25.368 -16.381 677 HD21 LEU 87 HD23 LEU 87 2.400 -25.628 -12.647 678 HD22 LEU 87 HD21 LEU 87 1.081 -26.813 -12.474 679 HD23 LEU 87 HD22 LEU 87 2.576 -27.275 -13.301 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -9.962 -8.162 -6.774 2 H2 MET 1 H2 MET 1 -8.921 -8.705 -7.911 3 H3 MET 1 H3 MET 1 -9.639 -7.221 -8.088 4 HA MET 1 HA MET 1 -7.348 -6.976 -7.382 5 HB2 MET 1 HB2 MET 1 -7.665 -5.541 -5.465 6 HB3 MET 1 HB3 MET 1 -8.962 -5.272 -6.621 7 HG2 MET 1 HG2 MET 1 -9.186 -6.926 -4.067 8 HG3 MET 1 HG3 MET 1 -9.725 -5.263 -4.271 9 HE1 MET 1 HE3 MET 1 -11.606 -7.498 -3.072 10 HE2 MET 1 HE1 MET 1 -12.109 -5.810 -3.330 11 HE3 MET 1 HE2 MET 1 -13.124 -7.142 -3.923 12 H SER 2 H SER 2 -5.793 -7.227 -5.498 13 HA SER 2 HA SER 2 -6.156 -9.484 -3.700 14 HB2 SER 2 HB2 SER 2 -4.296 -10.797 -4.812 15 HB3 SER 2 HB3 SER 2 -5.790 -10.750 -5.759 16 HG SER 2 HG SER 2 -3.627 -8.929 -6.145 17 HA PRO 3 HA PRO 3 -2.707 -7.196 -1.946 18 HB2 PRO 3 HB2 PRO 3 -1.598 -8.967 -0.199 19 HB3 PRO 3 HB3 PRO 3 -3.214 -8.227 0.029 20 HG2 PRO 3 HG2 PRO 3 -2.555 -10.949 -1.151 21 HG3 PRO 3 HG3 PRO 3 -3.740 -10.572 0.139 22 HD2 PRO 3 HD2 PRO 3 -4.494 -10.839 -2.464 23 HD3 PRO 3 HD3 PRO 3 -5.260 -9.625 -1.394 24 H THR 4 H THR 4 -0.583 -6.895 -1.989 25 HA THR 4 HA THR 4 0.753 -7.593 -4.386 26 HB THR 4 HB THR 4 2.005 -6.179 -2.004 27 HG1 THR 4 HG1 THR 4 0.131 -5.162 -2.126 28 HG21 THR 4 HG23 THR 4 3.440 -6.458 -4.002 29 HG22 THR 4 HG21 THR 4 2.176 -5.715 -5.014 30 HG23 THR 4 HG22 THR 4 2.996 -4.760 -3.759 31 H SER 5 H SER 5 1.421 -8.484 -1.024 32 HA SER 5 HA SER 5 3.293 -10.675 -1.729 33 HB2 SER 5 HB2 SER 5 4.012 -8.309 0.019 34 HB3 SER 5 HB3 SER 5 4.885 -9.849 0.012 35 HG SER 5 HG SER 5 5.386 -9.587 -2.138 36 H ILE 6 H ILE 6 3.994 -11.612 0.660 37 HA ILE 6 HA ILE 6 1.565 -12.211 2.148 38 HB ILE 6 HB ILE 6 2.995 -13.860 2.431 39 HG12 ILE 6 HG12 ILE 6 4.026 -14.008 4.595 40 HG13 ILE 6 HG13 ILE 6 3.899 -12.283 4.874 41 HG21 ILE 6 HG21 ILE 6 5.347 -11.976 2.481 42 HG22 ILE 6 HG22 ILE 6 5.491 -13.683 2.929 43 HG23 ILE 6 HG23 ILE 6 4.922 -13.276 1.329 44 HD11 ILE 6 HD13 ILE 6 1.489 -12.483 5.106 45 HD12 ILE 6 HD11 ILE 6 1.524 -14.145 4.456 46 HD13 ILE 6 HD12 ILE 6 2.237 -13.811 6.063 47 H LEU 7 H LEU 7 4.257 -9.943 2.950 48 HA LEU 7 HA LEU 7 2.916 -9.051 5.334 49 HB2 LEU 7 HB2 LEU 7 4.763 -7.667 5.694 50 HB3 LEU 7 HB3 LEU 7 5.348 -9.225 5.142 51 HG LEU 7 HG LEU 7 5.151 -6.766 3.324 52 HD11 LEU 7 HD11 LEU 7 7.542 -7.832 4.884 53 HD12 LEU 7 HD12 LEU 7 7.560 -6.485 3.722 54 HD13 LEU 7 HD13 LEU 7 6.657 -6.327 5.235 55 HD21 LEU 7 HD23 LEU 7 6.705 -9.368 3.041 56 HD22 LEU 7 HD21 LEU 7 5.349 -8.810 2.026 57 HD23 LEU 7 HD22 LEU 7 6.874 -7.948 1.987 58 H ASP 8 H ASP 8 1.274 -8.744 3.136 59 HA ASP 8 HA ASP 8 0.620 -5.801 3.159 60 HB2 ASP 8 HB2 ASP 8 1.502 -6.805 0.956 61 HB3 ASP 8 HB3 ASP 8 0.012 -7.718 0.885 62 H ILE 9 H ILE 9 -0.135 -8.849 4.089 63 HA ILE 9 HA ILE 9 -2.802 -8.162 5.114 64 HB ILE 9 HB ILE 9 -3.654 -10.363 4.658 65 HG12 ILE 9 HG12 ILE 9 -1.351 -10.824 2.718 66 HG13 ILE 9 HG13 ILE 9 -1.399 -11.515 4.352 67 HG21 ILE 9 HG21 ILE 9 -2.938 -8.923 2.116 68 HG22 ILE 9 HG22 ILE 9 -4.364 -9.952 2.398 69 HG23 ILE 9 HG23 ILE 9 -4.194 -8.408 3.242 70 HD11 ILE 9 HD13 ILE 9 -3.585 -12.553 3.848 71 HD12 ILE 9 HD11 ILE 9 -3.435 -12.006 2.161 72 HD13 ILE 9 HD12 ILE 9 -2.255 -13.158 2.825 73 H ARG 10 H ARG 10 -3.208 -10.567 6.483 74 HA ARG 10 HA ARG 10 -0.664 -11.172 7.917 75 HB2 ARG 10 HB2 ARG 10 -1.987 -11.599 9.934 76 HB3 ARG 10 HB3 ARG 10 -2.101 -9.901 9.420 77 HG2 ARG 10 HG2 ARG 10 -4.346 -10.223 9.770 78 HG3 ARG 10 HG3 ARG 10 -4.340 -10.916 8.161 79 HD2 ARG 10 HD2 ARG 10 -3.817 -13.141 9.148 80 HD3 ARG 10 HD3 ARG 10 -3.986 -12.460 10.767 81 HE ARG 10 HE ARG 10 -6.399 -11.940 9.406 82 HH11 ARG 10 HH11 ARG 10 -4.525 -14.702 10.366 83 HH12 ARG 10 HH12 ARG 10 -5.869 -15.832 10.288 84 HH21 ARG 10 HH21 ARG 10 -8.148 -13.397 9.368 85 HH22 ARG 10 HH22 ARG 10 -7.896 -15.064 9.803 86 H GLN 11 H GLN 11 -0.436 -13.202 8.674 87 HA GLN 11 HA GLN 11 -2.100 -15.369 7.529 88 HB2 GLN 11 HB2 GLN 11 -0.273 -16.813 7.989 89 HB3 GLN 11 HB3 GLN 11 0.322 -15.374 7.169 90 HG2 GLN 11 HG2 GLN 11 1.198 -14.481 9.318 91 HG3 GLN 11 HG3 GLN 11 0.631 -15.953 10.132 92 HE21 GLN 11 HE22 GLN 11 2.786 -16.762 10.671 93 HE22 GLN 11 HE21 GLN 11 3.784 -17.360 9.343 94 H GLY 12 H GLY 12 -2.011 -17.278 9.174 95 HA2 GLY 12 HA2 GLY 12 -2.255 -17.306 11.887 96 HA3 GLY 12 HA3 GLY 12 -3.749 -16.497 11.439 97 HA PRO 13 HA PRO 13 -3.749 -20.959 9.455 98 HB2 PRO 13 HB2 PRO 13 -2.111 -22.854 10.465 99 HB3 PRO 13 HB3 PRO 13 -1.447 -21.509 9.506 100 HG2 PRO 13 HG2 PRO 13 -1.699 -21.645 12.550 101 HG3 PRO 13 HG3 PRO 13 -0.199 -21.367 11.619 102 HD2 PRO 13 HD2 PRO 13 -1.702 -19.334 12.600 103 HD3 PRO 13 HD3 PRO 13 -0.900 -19.170 11.014 104 H LYS 14 H LYS 14 -5.054 -19.941 12.003 105 HA LYS 14 HA LYS 14 -5.295 -22.010 13.959 106 HB2 LYS 14 HB2 LYS 14 -5.868 -19.646 14.266 107 HB3 LYS 14 HB3 LYS 14 -7.361 -19.857 13.356 108 HG2 LYS 14 HG2 LYS 14 -6.927 -21.682 15.729 109 HG3 LYS 14 HG3 LYS 14 -7.068 -19.976 16.068 110 HD2 LYS 14 HD2 LYS 14 -9.220 -20.594 16.372 111 HD3 LYS 14 HD3 LYS 14 -9.287 -20.042 14.698 112 HE2 LYS 14 HE2 LYS 14 -9.115 -22.427 13.962 113 HE3 LYS 14 HE3 LYS 14 -9.041 -22.952 15.635 114 HZ1 LYS 14 HZ3 LYS 14 -11.310 -22.082 15.887 115 HZ2 LYS 14 HZ1 LYS 14 -11.305 -21.549 14.320 116 HZ3 LYS 14 HZ2 LYS 14 -11.240 -23.151 14.639 117 H GLU 15 H GLU 15 -7.071 -21.652 11.017 118 HA GLU 15 HA GLU 15 -8.696 -24.076 11.419 119 HB2 GLU 15 HB2 GLU 15 -9.609 -21.639 12.225 120 HB3 GLU 15 HB3 GLU 15 -10.006 -21.464 10.553 121 HG2 GLU 15 HG2 GLU 15 -10.808 -23.817 12.283 122 HG3 GLU 15 HG3 GLU 15 -11.773 -22.343 12.144 123 HA PRO 16 HA PRO 16 -8.951 -23.015 6.846 124 HB2 PRO 16 HB2 PRO 16 -7.849 -20.886 5.621 125 HB3 PRO 16 HB3 PRO 16 -9.268 -20.699 6.698 126 HG2 PRO 16 HG2 PRO 16 -6.344 -20.224 7.364 127 HG3 PRO 16 HG3 PRO 16 -7.746 -19.166 7.709 128 HD2 PRO 16 HD2 PRO 16 -6.667 -20.969 9.504 129 HD3 PRO 16 HD3 PRO 16 -8.379 -20.442 9.538 130 H PHE 17 H PHE 17 -7.899 -24.058 5.212 131 HA PHE 17 HA PHE 17 -4.943 -23.774 5.000 132 HB2 PHE 17 HB2 PHE 17 -6.290 -26.269 5.525 133 HB3 PHE 17 HB3 PHE 17 -5.542 -26.306 3.945 134 HD1 PHE 17 HD1 PHE 17 -4.740 -25.270 7.500 135 HD2 PHE 17 HD2 PHE 17 -3.233 -26.902 3.798 136 HE1 PHE 17 HE1 PHE 17 -2.501 -25.595 8.541 137 HE2 PHE 17 HE2 PHE 17 -1.011 -27.264 4.887 138 HZ PHE 17 HZ PHE 17 -0.647 -26.575 7.231 139 H ARG 18 H ARG 18 -7.464 -25.309 2.739 140 HA ARG 18 HA ARG 18 -5.972 -24.472 0.523 141 HB2 ARG 18 HB2 ARG 18 -7.844 -25.004 -0.875 142 HB3 ARG 18 HB3 ARG 18 -7.558 -26.187 0.383 143 HG2 ARG 18 HG2 ARG 18 -9.850 -26.147 0.272 144 HG3 ARG 18 HG3 ARG 18 -9.483 -25.163 1.674 145 HD2 ARG 18 HD2 ARG 18 -10.956 -23.814 0.819 146 HD3 ARG 18 HD3 ARG 18 -9.654 -23.182 -0.187 147 HE ARG 18 HE ARG 18 -10.527 -24.776 -1.996 148 HH11 ARG 18 HH11 ARG 18 -12.845 -23.184 0.163 149 HH12 ARG 18 HH12 ARG 18 -14.171 -23.918 -0.752 150 HH21 ARG 18 HH21 ARG 18 -12.390 -25.126 -3.270 151 HH22 ARG 18 HH22 ARG 18 -13.927 -24.861 -2.558 152 H ASP 19 H ASP 19 -8.604 -22.792 1.964 153 HA ASP 19 HA ASP 19 -8.708 -20.610 0.071 154 HB2 ASP 19 HB2 ASP 19 -10.147 -21.308 2.610 155 HB3 ASP 19 HB3 ASP 19 -10.162 -19.615 2.135 156 H TYR 20 H TYR 20 -6.420 -21.165 2.166 157 HA TYR 20 HA TYR 20 -5.513 -18.307 2.155 158 HB2 TYR 20 HB2 TYR 20 -6.048 -18.837 4.467 159 HB3 TYR 20 HB3 TYR 20 -4.988 -20.248 4.413 160 HD1 TYR 20 HD2 TYR 20 -5.006 -16.502 4.027 161 HD2 TYR 20 HD1 TYR 20 -2.651 -20.018 4.842 162 HE1 TYR 20 HE2 TYR 20 -3.004 -15.073 4.439 163 HE2 TYR 20 HE1 TYR 20 -0.644 -18.585 5.203 164 HH TYR 20 HH TYR 20 0.232 -16.450 5.038 165 H VAL 21 H VAL 21 -4.549 -21.728 1.920 166 HA VAL 21 HA VAL 21 -1.794 -21.353 1.715 167 HB VAL 21 HB VAL 21 -2.972 -23.564 2.019 168 HG11 VAL 21 HG11 VAL 21 -2.994 -23.815 -1.008 169 HG12 VAL 21 HG12 VAL 21 -3.661 -24.916 0.229 170 HG13 VAL 21 HG13 VAL 21 -4.402 -23.334 -0.100 171 HG21 VAL 21 HG23 VAL 21 -0.492 -23.005 0.610 172 HG22 VAL 21 HG21 VAL 21 -0.892 -24.332 1.751 173 HG23 VAL 21 HG22 VAL 21 -1.189 -24.501 0.048 174 H ASP 22 H ASP 22 -4.204 -21.385 -1.033 175 HA ASP 22 HA ASP 22 -2.041 -21.073 -2.924 176 HB2 ASP 22 HB2 ASP 22 -4.724 -21.356 -3.234 177 HB3 ASP 22 HB3 ASP 22 -4.558 -19.675 -3.652 178 H ARG 23 H ARG 23 -4.143 -18.792 -1.500 179 HA ARG 23 HA ARG 23 -3.335 -16.289 -2.405 180 HB2 ARG 23 HB2 ARG 23 -3.765 -16.490 0.578 181 HB3 ARG 23 HB3 ARG 23 -4.425 -15.334 -0.558 182 HG2 ARG 23 HG2 ARG 23 -5.334 -18.216 -0.164 183 HG3 ARG 23 HG3 ARG 23 -6.004 -16.758 0.560 184 HD2 ARG 23 HD2 ARG 23 -6.163 -15.983 -1.976 185 HD3 ARG 23 HD3 ARG 23 -6.171 -17.743 -2.274 186 HE ARG 23 HE ARG 23 -7.787 -16.788 -0.047 187 HH11 ARG 23 HH11 ARG 23 -8.067 -17.986 -3.335 188 HH12 ARG 23 HH12 ARG 23 -9.649 -18.656 -2.987 189 HH21 ARG 23 HH21 ARG 23 -9.592 -17.748 0.302 190 HH22 ARG 23 HH22 ARG 23 -10.430 -18.661 -0.881 191 H PHE 24 H PHE 24 -1.835 -18.039 0.234 192 HA PHE 24 HA PHE 24 0.284 -16.062 0.628 193 HB2 PHE 24 HB2 PHE 24 -0.511 -17.431 2.470 194 HB3 PHE 24 HB3 PHE 24 -0.071 -18.912 1.623 195 HD1 PHE 24 HD2 PHE 24 1.748 -15.643 2.381 196 HD2 PHE 24 HD1 PHE 24 1.796 -19.921 2.526 197 HE1 PHE 24 HE2 PHE 24 4.096 -15.623 3.260 198 HE2 PHE 24 HE1 PHE 24 4.070 -19.895 3.399 199 HZ PHE 24 HZ PHE 24 5.244 -17.685 3.853 200 H TYR 25 H TYR 25 0.386 -19.473 -0.673 201 HA TYR 25 HA TYR 25 3.160 -19.328 -1.335 202 HB2 TYR 25 HB2 TYR 25 0.958 -21.214 -1.930 203 HB3 TYR 25 HB3 TYR 25 2.237 -21.154 -3.112 204 HD1 TYR 25 HD1 TYR 25 2.682 -20.808 0.663 205 HD2 TYR 25 HD2 TYR 25 3.334 -23.188 -2.888 206 HE1 TYR 25 HE1 TYR 25 3.925 -22.450 1.986 207 HE2 TYR 25 HE2 TYR 25 4.670 -24.808 -1.519 208 HH TYR 25 HH TYR 25 4.702 -24.607 1.993 209 H LYS 26 H LYS 26 0.346 -18.332 -3.229 210 HA LYS 26 HA LYS 26 1.168 -17.845 -5.771 211 HB2 LYS 26 HB2 LYS 26 -1.021 -17.356 -5.132 212 HB3 LYS 26 HB3 LYS 26 -0.543 -16.309 -3.811 213 HG2 LYS 26 HG2 LYS 26 -0.042 -15.452 -6.662 214 HG3 LYS 26 HG3 LYS 26 -1.655 -15.335 -5.975 215 HD2 LYS 26 HD2 LYS 26 0.749 -14.061 -4.661 216 HD3 LYS 26 HD3 LYS 26 -0.230 -13.221 -5.857 217 HE2 LYS 26 HE2 LYS 26 -2.165 -13.262 -4.412 218 HE3 LYS 26 HE3 LYS 26 -1.381 -14.400 -3.315 219 HZ1 LYS 26 HZ3 LYS 26 0.266 -12.668 -2.799 220 HZ2 LYS 26 HZ1 LYS 26 -0.577 -11.544 -3.661 221 HZ3 LYS 26 HZ2 LYS 26 -1.230 -12.227 -2.339 222 H THR 27 H THR 27 2.127 -15.944 -3.013 223 HA THR 27 HA THR 27 3.800 -14.121 -4.653 224 HB THR 27 HB THR 27 3.600 -13.113 -2.015 225 HG1 THR 27 HG1 THR 27 1.896 -14.255 -1.404 226 HG21 THR 27 HG23 THR 27 3.588 -11.688 -3.902 227 HG22 THR 27 HG21 THR 27 2.245 -12.527 -4.677 228 HG23 THR 27 HG22 THR 27 1.955 -11.531 -3.237 229 H LEU 28 H LEU 28 4.035 -15.777 -1.425 230 HA LEU 28 HA LEU 28 6.693 -15.764 -0.973 231 HB2 LEU 28 HB2 LEU 28 5.282 -16.971 0.425 232 HB3 LEU 28 HB3 LEU 28 4.738 -18.019 -0.873 233 HG LEU 28 HG LEU 28 7.623 -18.372 -0.592 234 HD11 LEU 28 HD11 LEU 28 6.097 -18.911 1.943 235 HD12 LEU 28 HD12 LEU 28 7.813 -19.223 1.612 236 HD13 LEU 28 HD13 LEU 28 7.215 -17.550 1.726 237 HD21 LEU 28 HD23 LEU 28 5.290 -20.201 -0.013 238 HD22 LEU 28 HD21 LEU 28 6.079 -19.985 -1.593 239 HD23 LEU 28 HD22 LEU 28 6.978 -20.689 -0.236 240 H ARG 29 H ARG 29 5.344 -17.982 -3.496 241 HA ARG 29 HA ARG 29 7.886 -19.024 -4.312 242 HB2 ARG 29 HB2 ARG 29 6.696 -20.068 -6.132 243 HB3 ARG 29 HB3 ARG 29 5.781 -20.166 -4.641 244 HG2 ARG 29 HG2 ARG 29 4.063 -19.554 -5.947 245 HG3 ARG 29 HG3 ARG 29 4.660 -17.920 -5.626 246 HD2 ARG 29 HD2 ARG 29 5.840 -17.926 -7.792 247 HD3 ARG 29 HD3 ARG 29 5.179 -19.533 -8.139 248 HE ARG 29 HE ARG 29 3.658 -16.981 -7.775 249 HH11 ARG 29 HH11 ARG 29 3.385 -20.397 -8.511 250 HH12 ARG 29 HH12 ARG 29 1.682 -20.267 -8.841 251 HH21 ARG 29 HH21 ARG 29 1.575 -16.868 -8.292 252 HH22 ARG 29 HH22 ARG 29 0.686 -18.285 -8.814 253 H ALA 30 H ALA 30 7.177 -15.841 -4.704 254 HA ALA 30 HA ALA 30 9.176 -15.686 -6.899 255 HB1 ALA 30 HB3 ALA 30 6.940 -15.313 -7.892 256 HB2 ALA 30 HB1 ALA 30 6.606 -14.041 -6.687 257 HB3 ALA 30 HB2 ALA 30 7.887 -13.812 -7.896 258 H GLU 31 H GLU 31 8.344 -14.741 -3.748 259 HA GLU 31 HA GLU 31 10.352 -12.518 -3.822 260 HB2 GLU 31 HB2 GLU 31 8.990 -11.216 -2.415 261 HB3 GLU 31 HB3 GLU 31 7.965 -11.834 -3.708 262 HG2 GLU 31 HG2 GLU 31 7.404 -13.747 -1.908 263 HG3 GLU 31 HG3 GLU 31 8.037 -12.564 -0.777 264 H GLN 32 H GLN 32 9.244 -15.322 -2.048 265 HA GLN 32 HA GLN 32 11.534 -15.142 -0.117 266 HB2 GLN 32 HB2 GLN 32 8.983 -16.773 0.003 267 HB3 GLN 32 HB3 GLN 32 10.174 -16.662 1.270 268 HG2 GLN 32 HG2 GLN 32 8.412 -14.347 0.347 269 HG3 GLN 32 HG3 GLN 32 7.996 -15.438 1.630 270 HE21 GLN 32 HE22 GLN 32 8.253 -14.513 3.630 271 HE22 GLN 32 HE21 GLN 32 9.586 -13.456 4.011 272 H ALA 33 H ALA 33 10.291 -16.727 -2.783 273 HA ALA 33 HA ALA 33 10.386 -18.582 -3.941 274 HB1 ALA 33 HB3 ALA 33 12.478 -17.540 -4.480 275 HB2 ALA 33 HB1 ALA 33 13.309 -18.422 -3.169 276 HB3 ALA 33 HB2 ALA 33 12.638 -19.301 -4.563 277 H SER 34 H SER 34 10.916 -19.291 -0.639 278 HA SER 34 HA SER 34 11.459 -22.067 -0.878 279 HB2 SER 34 HB2 SER 34 11.857 -20.501 1.109 280 HB3 SER 34 HB3 SER 34 10.176 -20.836 1.565 281 HG SER 34 HG SER 34 11.140 -22.491 2.495 282 H GLN 35 H GLN 35 9.559 -22.154 -2.645 283 HA GLN 35 HA GLN 35 6.935 -23.005 -1.677 284 HB2 GLN 35 HB2 GLN 35 7.578 -22.008 -3.965 285 HB3 GLN 35 HB3 GLN 35 8.278 -23.567 -4.368 286 HG2 GLN 35 HG2 GLN 35 5.527 -23.888 -3.425 287 HG3 GLN 35 HG3 GLN 35 5.582 -22.665 -4.677 288 HE21 GLN 35 HE22 GLN 35 6.472 -26.042 -3.946 289 HE22 GLN 35 HE21 GLN 35 6.329 -26.584 -5.628 290 H GLU 36 H GLU 36 9.678 -24.376 -0.918 291 HA GLU 36 HA GLU 36 9.642 -27.047 -2.047 292 HB2 GLU 36 HB2 GLU 36 11.532 -25.319 -1.316 293 HB3 GLU 36 HB3 GLU 36 11.301 -26.035 0.274 294 HG2 GLU 36 HG2 GLU 36 11.815 -28.282 -0.786 295 HG3 GLU 36 HG3 GLU 36 12.151 -27.430 -2.302 296 H VAL 37 H VAL 37 9.953 -28.983 -0.595 297 HA VAL 37 HA VAL 37 7.967 -29.376 1.495 298 HB VAL 37 HB VAL 37 10.473 -30.871 0.664 299 HG11 VAL 37 HG11 VAL 37 8.735 -31.499 3.075 300 HG12 VAL 37 HG12 VAL 37 9.791 -32.691 2.280 301 HG13 VAL 37 HG13 VAL 37 10.493 -31.262 3.042 302 HG21 VAL 37 HG23 VAL 37 7.535 -31.681 0.777 303 HG22 VAL 37 HG21 VAL 37 8.359 -31.067 -0.674 304 HG23 VAL 37 HG22 VAL 37 8.867 -32.602 0.046 305 H LYS 38 H LYS 38 11.448 -28.524 1.573 306 HA LYS 38 HA LYS 38 11.750 -27.836 4.285 307 HB2 LYS 38 HB2 LYS 38 13.365 -28.387 2.291 308 HB3 LYS 38 HB3 LYS 38 13.026 -26.754 1.755 309 HG2 LYS 38 HG2 LYS 38 13.795 -26.245 4.311 310 HG3 LYS 38 HG3 LYS 38 14.581 -27.797 4.025 311 HD2 LYS 38 HD2 LYS 38 16.246 -26.294 3.379 312 HD3 LYS 38 HD3 LYS 38 15.516 -26.687 1.830 313 HE2 LYS 38 HE2 LYS 38 14.943 -24.192 3.518 314 HE3 LYS 38 HE3 LYS 38 16.042 -24.266 2.134 315 HZ1 LYS 38 HZ3 LYS 38 14.113 -24.874 0.745 316 HZ2 LYS 38 HZ1 LYS 38 13.116 -24.663 2.035 317 HZ3 LYS 38 HZ2 LYS 38 13.929 -23.381 1.437 318 H ASN 39 H ASN 39 9.183 -26.674 3.486 319 HA ASN 39 HA ASN 39 9.318 -24.082 2.412 320 HB2 ASN 39 HB2 ASN 39 7.143 -23.876 2.793 321 HB3 ASN 39 HB3 ASN 39 7.282 -25.617 2.828 322 HD21 ASN 39 HD22 ASN 39 5.747 -23.189 4.213 323 HD22 ASN 39 HD21 ASN 39 5.568 -23.849 5.854 324 H ALA 40 H ALA 40 9.152 -24.910 5.830 325 HA ALA 40 HA ALA 40 9.328 -22.591 7.148 326 HB1 ALA 40 HB3 ALA 40 8.794 -24.760 8.095 327 HB2 ALA 40 HB1 ALA 40 10.498 -25.264 7.967 328 HB3 ALA 40 HB2 ALA 40 10.036 -23.944 9.059 329 H MET 41 H MET 41 10.809 -21.310 5.762 330 HA MET 41 HA MET 41 13.159 -20.767 7.476 331 HB2 MET 41 HB2 MET 41 14.568 -20.228 5.467 332 HB3 MET 41 HB3 MET 41 14.250 -21.936 5.724 333 HG2 MET 41 HG2 MET 41 12.696 -22.061 3.959 334 HG3 MET 41 HG3 MET 41 12.572 -20.308 3.797 335 HE1 MET 41 HE3 MET 41 13.847 -18.934 2.160 336 HE2 MET 41 HE1 MET 41 15.068 -18.934 3.452 337 HE3 MET 41 HE2 MET 41 15.555 -19.215 1.764 338 H THR 42 H THR 42 10.393 -19.735 6.840 339 HA THR 42 HA THR 42 10.796 -16.840 6.939 340 HB THR 42 HB THR 42 8.792 -16.830 5.086 341 HG1 THR 42 HG1 THR 42 9.504 -18.308 3.469 342 HG21 THR 42 HG23 THR 42 11.100 -15.759 4.910 343 HG22 THR 42 HG21 THR 42 11.706 -17.309 4.281 344 HG23 THR 42 HG22 THR 42 10.476 -16.391 3.392 345 H GLU 43 H GLU 43 8.287 -15.952 7.001 346 HA GLU 43 HA GLU 43 6.848 -16.927 9.220 347 HB2 GLU 43 HB2 GLU 43 4.977 -15.550 8.284 348 HB3 GLU 43 HB3 GLU 43 6.503 -14.703 8.220 349 HG2 GLU 43 HG2 GLU 43 5.102 -16.128 5.931 350 HG3 GLU 43 HG3 GLU 43 5.067 -14.387 6.318 351 H THR 44 H THR 44 6.982 -18.222 6.106 352 HA THR 44 HA THR 44 4.731 -19.433 5.404 353 HB THR 44 HB THR 44 6.863 -19.391 4.206 354 HG1 THR 44 HG1 THR 44 6.673 -21.292 3.160 355 HG21 THR 44 HG23 THR 44 8.565 -20.924 4.469 356 HG22 THR 44 HG21 THR 44 8.270 -20.347 6.109 357 HG23 THR 44 HG22 THR 44 7.669 -21.937 5.627 358 H LEU 45 H LEU 45 3.298 -20.786 5.999 359 HA LEU 45 HA LEU 45 3.857 -22.911 7.958 360 HB2 LEU 45 HB2 LEU 45 2.033 -21.991 9.212 361 HB3 LEU 45 HB3 LEU 45 3.247 -20.762 8.924 362 HG LEU 45 HG LEU 45 0.634 -21.048 7.408 363 HD11 LEU 45 HD11 LEU 45 1.496 -18.958 9.402 364 HD12 LEU 45 HD12 LEU 45 -0.136 -19.171 8.695 365 HD13 LEU 45 HD13 LEU 45 0.545 -20.384 9.806 366 HD21 LEU 45 HD23 LEU 45 2.739 -18.882 7.214 367 HD22 LEU 45 HD21 LEU 45 1.984 -19.752 5.870 368 HD23 LEU 45 HD22 LEU 45 1.060 -18.578 6.777 369 H LEU 46 H LEU 46 3.249 -23.454 5.064 370 HA LEU 46 HA LEU 46 1.437 -25.576 5.353 371 HB2 LEU 46 HB2 LEU 46 -0.464 -24.857 3.967 372 HB3 LEU 46 HB3 LEU 46 -0.421 -24.094 5.501 373 HG LEU 46 HG LEU 46 -1.107 -22.794 3.387 374 HD11 LEU 46 HD11 LEU 46 0.789 -21.467 5.268 375 HD12 LEU 46 HD12 LEU 46 -0.436 -20.683 4.263 376 HD13 LEU 46 HD13 LEU 46 -0.930 -21.776 5.586 377 HD21 LEU 46 HD23 LEU 46 1.854 -22.113 3.269 378 HD22 LEU 46 HD21 LEU 46 1.106 -23.209 2.113 379 HD23 LEU 46 HD22 LEU 46 0.527 -21.560 2.203 380 H VAL 47 H VAL 47 0.571 -26.195 2.852 381 HA VAL 47 HA VAL 47 2.551 -25.615 0.779 382 HB VAL 47 HB VAL 47 1.713 -28.497 1.137 383 HG11 VAL 47 HG11 VAL 47 4.247 -27.176 0.121 384 HG12 VAL 47 HG12 VAL 47 3.808 -28.895 -0.015 385 HG13 VAL 47 HG13 VAL 47 2.871 -27.678 -0.892 386 HG21 VAL 47 HG23 VAL 47 4.028 -27.324 2.690 387 HG22 VAL 47 HG21 VAL 47 2.566 -28.140 3.332 388 HG23 VAL 47 HG22 VAL 47 3.744 -29.055 2.396 389 H GLN 48 H GLN 48 1.482 -25.446 -1.229 390 HA GLN 48 HA GLN 48 -1.297 -25.708 -1.635 391 HB2 GLN 48 HB2 GLN 48 1.036 -25.875 -3.562 392 HB3 GLN 48 HB3 GLN 48 -0.658 -25.866 -4.077 393 HG2 GLN 48 HG2 GLN 48 -1.041 -23.699 -3.038 394 HG3 GLN 48 HG3 GLN 48 0.568 -23.688 -2.347 395 HE21 GLN 48 HE22 GLN 48 -1.245 -22.567 -5.094 396 HE22 GLN 48 HE21 GLN 48 0.161 -22.305 -6.101 397 H ASN 49 H ASN 49 1.222 -28.059 -2.471 398 HA ASN 49 HA ASN 49 -0.496 -30.087 -3.461 399 HB2 ASN 49 HB2 ASN 49 1.943 -29.705 -4.024 400 HB3 ASN 49 HB3 ASN 49 2.355 -30.421 -2.462 401 HD21 ASN 49 HD22 ASN 49 2.676 -32.594 -2.512 402 HD22 ASN 49 HD21 ASN 49 2.007 -33.662 -3.755 403 H ALA 50 H ALA 50 -0.551 -29.179 -0.328 404 HA ALA 50 HA ALA 50 -0.669 -31.590 1.166 405 HB1 ALA 50 HB3 ALA 50 -0.847 -29.511 2.294 406 HB2 ALA 50 HB1 ALA 50 -2.116 -28.922 1.214 407 HB3 ALA 50 HB2 ALA 50 -2.490 -30.182 2.398 408 H ASN 51 H ASN 51 -2.496 -32.971 1.622 409 HA ASN 51 HA ASN 51 -4.236 -33.435 -0.747 410 HB2 ASN 51 HB2 ASN 51 -4.003 -35.863 -0.047 411 HB3 ASN 51 HB3 ASN 51 -2.546 -35.076 -0.593 412 HD21 ASN 51 HD22 ASN 51 -1.733 -37.125 0.465 413 HD22 ASN 51 HD21 ASN 51 -1.315 -36.949 2.159 414 HA PRO 52 HA PRO 52 -7.828 -32.847 1.691 415 HB2 PRO 52 HB2 PRO 52 -9.318 -35.198 1.854 416 HB3 PRO 52 HB3 PRO 52 -9.300 -34.074 0.460 417 HG2 PRO 52 HG2 PRO 52 -7.695 -36.613 0.845 418 HG3 PRO 52 HG3 PRO 52 -8.591 -36.077 -0.613 419 HD2 PRO 52 HD2 PRO 52 -5.949 -35.760 -0.435 420 HD3 PRO 52 HD3 PRO 52 -6.934 -34.448 -1.131 421 H ASP 53 H ASP 53 -5.952 -35.651 2.572 422 HA ASP 53 HA ASP 53 -6.669 -36.192 5.176 423 HB2 ASP 53 HB2 ASP 53 -3.817 -36.324 4.154 424 HB3 ASP 53 HB3 ASP 53 -4.639 -37.389 5.274 425 H CYS 54 H CYS 54 -3.643 -34.202 4.430 426 HA CYS 54 HA CYS 54 -3.530 -33.281 7.147 427 HB2 CYS 54 HB2 CYS 54 -2.372 -31.180 5.955 428 HB3 CYS 54 HB3 CYS 54 -1.528 -32.665 6.318 429 HG CYS 54 HG CYS 54 -0.660 -31.826 4.095 430 H LYS 55 H LYS 55 -4.784 -31.625 4.305 431 HA LYS 55 HA LYS 55 -5.700 -29.215 5.416 432 HB2 LYS 55 HB2 LYS 55 -6.709 -31.110 3.311 433 HB3 LYS 55 HB3 LYS 55 -7.635 -29.655 3.644 434 HG2 LYS 55 HG2 LYS 55 -6.056 -28.191 2.828 435 HG3 LYS 55 HG3 LYS 55 -4.685 -29.204 3.250 436 HD2 LYS 55 HD2 LYS 55 -4.839 -30.483 1.264 437 HD3 LYS 55 HD3 LYS 55 -6.455 -29.840 0.865 438 HE2 LYS 55 HE2 LYS 55 -5.479 -27.582 0.531 439 HE3 LYS 55 HE3 LYS 55 -3.907 -28.161 1.072 440 HZ1 LYS 55 HZ3 LYS 55 -3.969 -29.707 -0.879 441 HZ2 LYS 55 HZ1 LYS 55 -5.257 -28.914 -1.464 442 HZ3 LYS 55 HZ2 LYS 55 -3.776 -28.176 -1.287 443 H THR 56 H THR 56 -7.649 -32.249 5.452 444 HA THR 56 HA THR 56 -9.741 -31.080 7.062 445 HB THR 56 HB THR 56 -9.184 -34.019 6.547 446 HG1 THR 56 HG1 THR 56 -9.467 -33.276 4.624 447 HG21 THR 56 HG23 THR 56 -10.898 -33.766 8.266 448 HG22 THR 56 HG21 THR 56 -11.741 -32.533 7.300 449 HG23 THR 56 HG22 THR 56 -11.672 -34.223 6.747 450 H ILE 57 H ILE 57 -6.679 -32.520 7.801 451 HA ILE 57 HA ILE 57 -7.430 -33.140 10.633 452 HB ILE 57 HB ILE 57 -4.779 -33.283 9.184 453 HG12 ILE 57 HG12 ILE 57 -6.318 -35.560 10.501 454 HG13 ILE 57 HG13 ILE 57 -6.727 -35.035 8.873 455 HG21 ILE 57 HG21 ILE 57 -5.373 -33.921 12.111 456 HG22 ILE 57 HG22 ILE 57 -3.888 -34.391 11.264 457 HG23 ILE 57 HG23 ILE 57 -4.237 -32.694 11.511 458 HD11 ILE 57 HD13 ILE 57 -4.343 -35.326 8.196 459 HD12 ILE 57 HD11 ILE 57 -4.019 -36.076 9.774 460 HD13 ILE 57 HD12 ILE 57 -5.170 -36.831 8.648 461 H LEU 58 H LEU 58 -4.914 -30.893 9.254 462 HA LEU 58 HA LEU 58 -4.617 -29.519 11.708 463 HB2 LEU 58 HB2 LEU 58 -4.017 -28.327 8.967 464 HB3 LEU 58 HB3 LEU 58 -3.398 -27.827 10.529 465 HG LEU 58 HG LEU 58 -2.491 -30.305 10.696 466 HD11 LEU 58 HD11 LEU 58 -3.144 -29.977 7.799 467 HD12 LEU 58 HD12 LEU 58 -1.626 -30.816 8.191 468 HD13 LEU 58 HD13 LEU 58 -3.142 -31.441 8.833 469 HD21 LEU 58 HD23 LEU 58 -1.161 -28.397 8.735 470 HD22 LEU 58 HD21 LEU 58 -1.117 -28.211 10.500 471 HD23 LEU 58 HD22 LEU 58 -0.355 -29.631 9.720 472 H LYS 59 H LYS 59 -7.031 -29.182 9.239 473 HA LYS 59 HA LYS 59 -8.452 -26.883 9.822 474 HB2 LYS 59 HB2 LYS 59 -9.033 -29.589 8.989 475 HB3 LYS 59 HB3 LYS 59 -10.339 -28.998 9.978 476 HG2 LYS 59 HG2 LYS 59 -9.409 -27.030 7.954 477 HG3 LYS 59 HG3 LYS 59 -9.947 -28.551 7.267 478 HD2 LYS 59 HD2 LYS 59 -12.126 -28.383 8.164 479 HD3 LYS 59 HD3 LYS 59 -11.665 -27.147 9.348 480 HE2 LYS 59 HE2 LYS 59 -11.429 -26.645 6.367 481 HE3 LYS 59 HE3 LYS 59 -12.961 -26.386 7.241 482 HZ1 LYS 59 HZ3 LYS 59 -11.816 -24.908 8.745 483 HZ2 LYS 59 HZ1 LYS 59 -10.398 -25.074 8.037 484 HZ3 LYS 59 HZ2 LYS 59 -11.661 -24.308 7.284 485 H ALA 60 H ALA 60 -8.057 -29.545 12.032 486 HA ALA 60 HA ALA 60 -9.257 -27.914 14.236 487 HB1 ALA 60 HB3 ALA 60 -10.755 -29.777 13.608 488 HB2 ALA 60 HB1 ALA 60 -9.428 -30.935 13.864 489 HB3 ALA 60 HB2 ALA 60 -10.079 -30.008 15.233 490 H LEU 61 H LEU 61 -6.372 -29.095 13.086 491 HA LEU 61 HA LEU 61 -5.216 -29.467 15.794 492 HB2 LEU 61 HB2 LEU 61 -5.476 -31.345 13.747 493 HB3 LEU 61 HB3 LEU 61 -3.819 -30.858 13.599 494 HG LEU 61 HG LEU 61 -5.127 -31.695 16.238 495 HD11 LEU 61 HD11 LEU 61 -3.472 -33.396 14.345 496 HD12 LEU 61 HD12 LEU 61 -4.067 -33.883 15.949 497 HD13 LEU 61 HD13 LEU 61 -5.212 -33.547 14.645 498 HD21 LEU 61 HD23 LEU 61 -2.190 -31.491 15.462 499 HD22 LEU 61 HD21 LEU 61 -3.051 -30.404 16.565 500 HD23 LEU 61 HD22 LEU 61 -2.815 -32.101 17.014 501 H GLY 62 H GLY 62 -5.393 -26.948 14.735 502 HA2 GLY 62 HA2 GLY 62 -2.543 -26.198 14.231 503 HA3 GLY 62 HA3 GLY 62 -3.944 -25.156 14.030 504 HA PRO 63 HA PRO 63 -3.213 -24.880 18.746 505 HB2 PRO 63 HB2 PRO 63 -1.914 -26.699 20.243 506 HB3 PRO 63 HB3 PRO 63 -3.519 -27.085 19.562 507 HG2 PRO 63 HG2 PRO 63 -0.803 -27.793 18.374 508 HG3 PRO 63 HG3 PRO 63 -2.166 -28.902 18.734 509 HD2 PRO 63 HD2 PRO 63 -1.795 -27.784 16.270 510 HD3 PRO 63 HD3 PRO 63 -3.427 -28.103 16.956 511 H ALA 64 H ALA 64 -1.581 -23.914 16.721 512 HA ALA 64 HA ALA 64 0.319 -22.830 16.195 513 HB1 ALA 64 HB3 ALA 64 -0.634 -21.559 18.087 514 HB2 ALA 64 HB1 ALA 64 0.465 -22.417 19.194 515 HB3 ALA 64 HB2 ALA 64 1.121 -21.356 17.935 516 H ALA 65 H ALA 65 0.970 -25.815 17.415 517 HA ALA 65 HA ALA 65 3.850 -25.439 16.647 518 HB1 ALA 65 HB3 ALA 65 3.690 -25.629 19.087 519 HB2 ALA 65 HB1 ALA 65 2.786 -27.155 18.936 520 HB3 ALA 65 HB2 ALA 65 4.476 -27.053 18.383 521 H THR 66 H THR 66 1.525 -28.218 17.217 522 HA THR 66 HA THR 66 2.894 -30.007 15.674 523 HB THR 66 HB THR 66 -0.105 -30.164 15.539 524 HG1 THR 66 HG1 THR 66 0.333 -31.084 17.776 525 HG21 THR 66 HG23 THR 66 1.297 -32.074 14.783 526 HG22 THR 66 HG21 THR 66 2.092 -32.128 16.355 527 HG23 THR 66 HG22 THR 66 0.354 -32.506 16.211 528 H LEU 67 H LEU 67 1.237 -27.372 14.256 529 HA LEU 67 HA LEU 67 0.506 -28.465 11.722 530 HB2 LEU 67 HB2 LEU 67 -0.048 -26.329 12.731 531 HB3 LEU 67 HB3 LEU 67 1.587 -25.742 12.514 532 HG LEU 67 HG LEU 67 -0.675 -25.941 10.499 533 HD11 LEU 67 HD11 LEU 67 1.646 -24.017 10.971 534 HD12 LEU 67 HD12 LEU 67 0.239 -23.739 9.911 535 HD13 LEU 67 HD13 LEU 67 0.023 -23.840 11.676 536 HD21 LEU 67 HD23 LEU 67 2.228 -26.082 9.675 537 HD22 LEU 67 HD21 LEU 67 0.934 -27.272 9.359 538 HD23 LEU 67 HD22 LEU 67 0.847 -25.668 8.633 539 H GLU 68 H GLU 68 3.569 -27.091 12.891 540 HA GLU 68 HA GLU 68 5.011 -27.056 10.518 541 HB2 GLU 68 HB2 GLU 68 6.139 -27.939 13.229 542 HB3 GLU 68 HB3 GLU 68 7.046 -27.220 11.885 543 HG2 GLU 68 HG2 GLU 68 5.663 -25.154 12.123 544 HG3 GLU 68 HG3 GLU 68 4.854 -25.897 13.499 545 H GLU 69 H GLU 69 4.268 -29.906 12.434 546 HA GLU 69 HA GLU 69 5.787 -31.603 10.500 547 HB2 GLU 69 HB2 GLU 69 4.977 -33.540 11.699 548 HB3 GLU 69 HB3 GLU 69 5.836 -32.382 12.718 549 HG2 GLU 69 HG2 GLU 69 3.946 -31.724 13.893 550 HG3 GLU 69 HG3 GLU 69 2.866 -32.363 12.666 551 H MET 70 H MET 70 2.303 -30.993 11.287 552 HA MET 70 HA MET 70 1.595 -32.949 9.341 553 HB2 MET 70 HB2 MET 70 -0.820 -31.814 9.819 554 HB3 MET 70 HB3 MET 70 -0.148 -33.353 10.235 555 HG2 MET 70 HG2 MET 70 0.926 -32.386 12.123 556 HG3 MET 70 HG3 MET 70 0.148 -30.806 11.789 557 HE1 MET 70 HE3 MET 70 -0.666 -34.672 12.163 558 HE2 MET 70 HE1 MET 70 0.084 -34.083 13.657 559 HE3 MET 70 HE2 MET 70 -1.605 -34.630 13.670 560 H MET 71 H MET 71 2.259 -29.730 8.892 561 HA MET 71 HA MET 71 1.153 -28.843 6.515 562 HB2 MET 71 HB2 MET 71 2.657 -27.510 7.750 563 HB3 MET 71 HB3 MET 71 3.917 -28.705 7.784 564 HG2 MET 71 HG2 MET 71 3.044 -27.379 5.208 565 HG3 MET 71 HG3 MET 71 4.163 -26.588 6.295 566 HE1 MET 71 HE3 MET 71 7.382 -28.748 6.190 567 HE2 MET 71 HE1 MET 71 6.503 -27.444 7.011 568 HE3 MET 71 HE2 MET 71 6.089 -29.140 7.339 569 H THR 72 H THR 72 3.981 -30.976 6.764 570 HA THR 72 HA THR 72 3.428 -32.010 4.023 571 HB THR 72 HB THR 72 5.877 -31.898 5.669 572 HG1 THR 72 HG1 THR 72 5.549 -30.152 4.246 573 HG21 THR 72 HG23 THR 72 6.174 -34.095 4.689 574 HG22 THR 72 HG21 THR 72 5.695 -33.490 3.083 575 HG23 THR 72 HG22 THR 72 7.213 -32.970 3.840 576 H ALA 73 H ALA 73 3.660 -33.148 7.417 577 HA ALA 73 HA ALA 73 4.566 -35.751 6.879 578 HB1 ALA 73 HB3 ALA 73 4.429 -34.783 9.137 579 HB2 ALA 73 HB1 ALA 73 2.650 -34.876 9.081 580 HB3 ALA 73 HB2 ALA 73 3.622 -36.356 9.060 581 H CYS 74 H CYS 74 1.542 -34.416 6.156 582 HA CYS 74 HA CYS 74 0.272 -37.111 5.690 583 HB2 CYS 74 HB2 CYS 74 -0.943 -34.379 5.392 584 HB3 CYS 74 HB3 CYS 74 -1.782 -35.916 5.165 585 HG CYS 74 HG CYS 74 -2.616 -35.160 7.430 586 H GLN 75 H GLN 75 1.498 -34.322 3.609 587 HA GLN 75 HA GLN 75 0.562 -35.659 1.201 588 HB2 GLN 75 HB2 GLN 75 1.773 -34.170 -0.067 589 HB3 GLN 75 HB3 GLN 75 1.128 -33.215 1.259 590 HG2 GLN 75 HG2 GLN 75 3.293 -33.184 2.342 591 HG3 GLN 75 HG3 GLN 75 3.996 -34.286 1.165 592 HE21 GLN 75 HE22 GLN 75 5.056 -31.600 1.812 593 HE22 GLN 75 HE21 GLN 75 4.948 -30.771 0.266 594 H GLY 76 H GLY 76 3.208 -36.141 3.377 595 HA2 GLY 76 HA2 GLY 76 4.940 -37.784 1.826 596 HA3 GLY 76 HA3 GLY 76 4.695 -37.862 3.579 597 H VAL 77 H VAL 77 1.667 -38.496 2.994 598 HA VAL 77 HA VAL 77 2.002 -41.389 2.674 599 HB VAL 77 HB VAL 77 0.278 -39.966 4.156 600 HG11 VAL 77 HG11 VAL 77 -1.512 -40.746 1.830 601 HG12 VAL 77 HG12 VAL 77 -1.949 -39.898 3.320 602 HG13 VAL 77 HG13 VAL 77 -0.956 -39.087 2.099 603 HG21 VAL 77 HG23 VAL 77 -0.350 -42.655 2.891 604 HG22 VAL 77 HG21 VAL 77 0.673 -42.371 4.318 605 HG23 VAL 77 HG22 VAL 77 -1.060 -42.004 4.386 606 H GLY 78 H GLY 78 1.684 -38.805 0.473 607 HA2 GLY 78 HA2 GLY 78 1.722 -39.045 -1.876 608 HA3 GLY 78 HA3 GLY 78 1.044 -40.668 -1.744 609 H GLY 79 H GLY 79 -0.693 -40.452 -3.067 610 HA2 GLY 79 HA2 GLY 79 -2.695 -38.254 -2.607 611 HA3 GLY 79 HA3 GLY 79 -2.354 -39.004 -4.159 612 HA PRO 80 HA PRO 80 -4.576 -42.425 -1.621 613 HB2 PRO 80 HB2 PRO 80 -5.902 -41.836 0.702 614 HB3 PRO 80 HB3 PRO 80 -4.154 -42.214 0.618 615 HG2 PRO 80 HG2 PRO 80 -5.467 -39.487 0.685 616 HG3 PRO 80 HG3 PRO 80 -4.089 -40.084 1.670 617 HD2 PRO 80 HD2 PRO 80 -3.715 -38.585 -0.565 618 HD3 PRO 80 HD3 PRO 80 -2.602 -39.916 -0.129 619 H GLY 81 H GLY 81 -5.960 -42.528 -3.311 620 HA2 GLY 81 HA2 GLY 81 -8.059 -42.932 -4.156 621 HA3 GLY 81 HA3 GLY 81 -8.728 -42.338 -2.637 622 H HIS 82 H HIS 82 -7.500 -39.684 -3.079 623 HA HIS 82 HA HIS 82 -7.950 -37.621 -3.677 624 HB2 HIS 82 HB2 HIS 82 -7.528 -37.008 -5.797 625 HB3 HIS 82 HB3 HIS 82 -6.872 -38.637 -5.811 626 HD2 HIS 82 HD2 HIS 82 -8.329 -40.492 -7.268 627 HE1 HIS 82 HE1 HIS 82 -10.750 -37.638 -9.301 628 HE2 HIS 82 HE2 HIS 82 -9.975 -40.073 -9.272 629 H LYS 83 H LYS 83 -10.555 -39.667 -4.603 630 HA LYS 83 HA LYS 83 -12.413 -38.019 -5.673 631 HB2 LYS 83 HB2 LYS 83 -12.339 -40.517 -5.444 632 HB3 LYS 83 HB3 LYS 83 -13.035 -40.377 -3.845 633 HG2 LYS 83 HG2 LYS 83 -14.331 -39.358 -6.425 634 HG3 LYS 83 HG3 LYS 83 -14.565 -40.975 -5.797 635 HD2 LYS 83 HD2 LYS 83 -15.533 -38.382 -4.560 636 HD3 LYS 83 HD3 LYS 83 -16.496 -39.661 -5.270 637 HE2 LYS 83 HE2 LYS 83 -14.894 -39.813 -2.681 638 HE3 LYS 83 HE3 LYS 83 -16.644 -39.716 -2.827 639 HZ1 LYS 83 HZ3 LYS 83 -16.578 -41.902 -3.930 640 HZ2 LYS 83 HZ1 LYS 83 -14.944 -41.955 -3.767 641 HZ3 LYS 83 HZ2 LYS 83 -15.899 -41.985 -2.434 642 H ALA 84 H ALA 84 -12.124 -36.000 -4.523 643 HA ALA 84 HA ALA 84 -13.279 -35.548 -1.946 644 HB1 ALA 84 HB3 ALA 84 -11.500 -34.180 -3.051 645 HB2 ALA 84 HB1 ALA 84 -12.696 -33.601 -4.229 646 HB3 ALA 84 HB2 ALA 84 -12.860 -33.188 -2.508 647 H ARG 85 H ARG 85 -14.952 -33.823 -1.630 648 HA ARG 85 HA ARG 85 -17.017 -33.534 -3.703 649 HB2 ARG 85 HB2 ARG 85 -17.471 -35.271 -1.519 650 HB3 ARG 85 HB3 ARG 85 -18.307 -33.811 -1.057 651 HG2 ARG 85 HG2 ARG 85 -18.734 -35.553 -3.511 652 HG3 ARG 85 HG3 ARG 85 -19.850 -35.248 -2.187 653 HD2 ARG 85 HD2 ARG 85 -19.114 -33.421 -4.490 654 HD3 ARG 85 HD3 ARG 85 -20.696 -34.074 -4.088 655 HE ARG 85 HE ARG 85 -19.226 -31.864 -2.726 656 HH11 ARG 85 HH11 ARG 85 -22.267 -33.558 -2.862 657 HH12 ARG 85 HH12 ARG 85 -23.016 -32.481 -1.711 658 HH21 ARG 85 HH21 ARG 85 -20.109 -30.603 -1.342 659 HH22 ARG 85 HH22 ARG 85 -21.785 -30.748 -0.870 660 H VAL 86 H VAL 86 -14.931 -31.943 -2.960 661 HA VAL 86 HA VAL 86 -15.531 -29.749 -1.207 662 HB VAL 86 HB VAL 86 -13.282 -30.462 -1.985 663 HG11 VAL 86 HG11 VAL 86 -13.997 -29.184 -4.657 664 HG12 VAL 86 HG12 VAL 86 -12.414 -29.812 -4.176 665 HG13 VAL 86 HG13 VAL 86 -13.777 -30.921 -4.383 666 HG21 VAL 86 HG23 VAL 86 -13.752 -27.579 -2.786 667 HG22 VAL 86 HG21 VAL 86 -13.690 -28.139 -1.101 668 HG23 VAL 86 HG22 VAL 86 -12.275 -28.318 -2.159 669 H LEU 87 H LEU 87 -15.897 -27.581 -1.806 670 HA LEU 87 HA LEU 87 -16.892 -26.862 -4.448 671 HB2 LEU 87 HB2 LEU 87 -18.440 -26.289 -1.861 672 HB3 LEU 87 HB3 LEU 87 -18.513 -25.277 -3.289 673 HG LEU 87 HG LEU 87 -19.174 -27.495 -4.566 674 HD11 LEU 87 HD11 LEU 87 -20.120 -28.077 -1.725 675 HD12 LEU 87 HD12 LEU 87 -20.577 -28.970 -3.206 676 HD13 LEU 87 HD13 LEU 87 -18.904 -29.014 -2.623 677 HD21 LEU 87 HD23 LEU 87 -21.079 -26.004 -2.714 678 HD22 LEU 87 HD21 LEU 87 -20.594 -25.512 -4.351 679 HD23 LEU 87 HD22 LEU 87 -21.546 -26.982 -4.129 Start of MODEL 9 1 H1 MET 1 H1 MET 1 1.053 -1.631 3.612 2 H2 MET 1 H2 MET 1 0.635 -3.043 2.911 3 H3 MET 1 H3 MET 1 -0.465 -1.833 2.943 4 HA MET 1 HA MET 1 0.585 -2.171 0.767 5 HB2 MET 1 HB2 MET 1 1.025 0.491 2.180 6 HB3 MET 1 HB3 MET 1 1.479 0.235 0.490 7 HG2 MET 1 HG2 MET 1 -0.807 -0.316 -0.121 8 HG3 MET 1 HG3 MET 1 -1.320 -0.217 1.567 9 HE1 MET 1 HE3 MET 1 1.088 2.312 -0.496 10 HE2 MET 1 HE1 MET 1 -0.174 1.771 -1.630 11 HE3 MET 1 HE2 MET 1 -0.152 3.449 -1.051 12 H SER 2 H SER 2 2.193 -3.392 0.249 13 HA SER 2 HA SER 2 5.030 -2.801 0.955 14 HB2 SER 2 HB2 SER 2 3.394 -5.353 1.390 15 HB3 SER 2 HB3 SER 2 5.138 -5.318 1.507 16 HG SER 2 HG SER 2 3.237 -4.366 3.257 17 HA PRO 3 HA PRO 3 5.576 -4.805 -3.204 18 HB2 PRO 3 HB2 PRO 3 6.975 -7.209 -2.633 19 HB3 PRO 3 HB3 PRO 3 7.684 -5.618 -3.027 20 HG2 PRO 3 HG2 PRO 3 7.195 -6.837 -0.305 21 HG3 PRO 3 HG3 PRO 3 8.622 -5.926 -0.881 22 HD2 PRO 3 HD2 PRO 3 6.805 -4.704 0.648 23 HD3 PRO 3 HD3 PRO 3 7.440 -3.863 -0.778 24 H THR 4 H THR 4 5.103 -7.197 -4.234 25 HA THR 4 HA THR 4 2.331 -7.751 -3.589 26 HB THR 4 HB THR 4 2.495 -9.385 -5.448 27 HG1 THR 4 HG1 THR 4 4.686 -9.924 -4.982 28 HG21 THR 4 HG23 THR 4 2.098 -6.972 -5.943 29 HG22 THR 4 HG21 THR 4 3.847 -6.759 -6.176 30 HG23 THR 4 HG22 THR 4 2.938 -7.836 -7.248 31 H SER 5 H SER 5 3.366 -8.311 -1.294 32 HA SER 5 HA SER 5 4.161 -11.155 -1.052 33 HB2 SER 5 HB2 SER 5 4.611 -8.815 0.836 34 HB3 SER 5 HB3 SER 5 5.444 -10.388 0.824 35 HG SER 5 HG SER 5 6.342 -9.884 -1.143 36 H ILE 6 H ILE 6 3.867 -11.848 1.411 37 HA ILE 6 HA ILE 6 0.930 -12.051 1.697 38 HB ILE 6 HB ILE 6 1.177 -14.093 2.648 39 HG12 ILE 6 HG12 ILE 6 3.600 -14.882 3.520 40 HG13 ILE 6 HG13 ILE 6 3.797 -13.199 3.847 41 HG21 ILE 6 HG21 ILE 6 3.727 -13.889 1.032 42 HG22 ILE 6 HG22 ILE 6 2.894 -15.387 1.451 43 HG23 ILE 6 HG23 ILE 6 2.067 -14.230 0.423 44 HD11 ILE 6 HD13 ILE 6 1.561 -13.286 5.147 45 HD12 ILE 6 HD11 ILE 6 1.564 -15.039 4.827 46 HD13 ILE 6 HD12 ILE 6 2.825 -14.319 5.836 47 H LEU 7 H LEU 7 3.715 -11.182 3.658 48 HA LEU 7 HA LEU 7 2.286 -10.597 6.048 49 HB2 LEU 7 HB2 LEU 7 4.370 -9.806 6.897 50 HB3 LEU 7 HB3 LEU 7 4.591 -11.320 6.039 51 HG LEU 7 HG LEU 7 5.330 -8.572 4.934 52 HD11 LEU 7 HD11 LEU 7 7.057 -10.808 6.096 53 HD12 LEU 7 HD12 LEU 7 7.647 -9.273 5.407 54 HD13 LEU 7 HD13 LEU 7 6.688 -9.257 6.892 55 HD21 LEU 7 HD23 LEU 7 5.916 -11.372 3.882 56 HD22 LEU 7 HD21 LEU 7 5.034 -10.045 3.055 57 HD23 LEU 7 HD22 LEU 7 6.754 -9.901 3.342 58 H ASP 8 H ASP 8 1.172 -9.323 3.865 59 HA ASP 8 HA ASP 8 0.983 -6.503 4.837 60 HB2 ASP 8 HB2 ASP 8 2.020 -6.997 2.409 61 HB3 ASP 8 HB3 ASP 8 0.329 -7.114 1.955 62 H ILE 9 H ILE 9 -0.518 -9.494 4.359 63 HA ILE 9 HA ILE 9 -3.257 -8.344 4.637 64 HB ILE 9 HB ILE 9 -4.191 -10.064 3.479 65 HG12 ILE 9 HG12 ILE 9 -1.588 -11.542 3.017 66 HG13 ILE 9 HG13 ILE 9 -2.612 -11.925 4.398 67 HG21 ILE 9 HG21 ILE 9 -1.727 -9.413 1.819 68 HG22 ILE 9 HG22 ILE 9 -3.368 -9.780 1.243 69 HG23 ILE 9 HG23 ILE 9 -3.056 -8.279 2.122 70 HD11 ILE 9 HD13 ILE 9 -4.535 -12.328 2.854 71 HD12 ILE 9 HD11 ILE 9 -3.464 -12.048 1.465 72 HD13 ILE 9 HD12 ILE 9 -3.169 -13.417 2.536 73 H ARG 10 H ARG 10 -4.692 -10.475 5.429 74 HA ARG 10 HA ARG 10 -4.043 -10.869 8.171 75 HB2 ARG 10 HB2 ARG 10 -5.891 -12.456 8.210 76 HB3 ARG 10 HB3 ARG 10 -6.323 -10.968 7.376 77 HG2 ARG 10 HG2 ARG 10 -7.333 -12.622 6.113 78 HG3 ARG 10 HG3 ARG 10 -5.916 -12.240 5.164 79 HD2 ARG 10 HD2 ARG 10 -5.029 -14.326 5.394 80 HD3 ARG 10 HD3 ARG 10 -5.429 -14.408 7.111 81 HE ARG 10 HE ARG 10 -7.528 -14.891 5.049 82 HH11 ARG 10 HH11 ARG 10 -5.712 -16.122 7.813 83 HH12 ARG 10 HH12 ARG 10 -6.383 -17.732 7.644 84 HH21 ARG 10 HH21 ARG 10 -8.490 -16.894 5.083 85 HH22 ARG 10 HH22 ARG 10 -7.948 -18.104 6.209 86 H GLN 11 H GLN 11 -3.149 -12.330 9.243 87 HA GLN 11 HA GLN 11 -1.780 -14.717 8.194 88 HB2 GLN 11 HB2 GLN 11 -0.552 -13.384 9.740 89 HB3 GLN 11 HB3 GLN 11 -1.907 -13.183 10.829 90 HG2 GLN 11 HG2 GLN 11 -0.870 -15.986 10.469 91 HG3 GLN 11 HG3 GLN 11 0.165 -14.833 11.296 92 HE21 GLN 11 HE22 GLN 11 -0.749 -13.660 13.237 93 HE22 GLN 11 HE21 GLN 11 -1.975 -14.552 14.151 94 H GLY 12 H GLY 12 -2.456 -16.801 9.324 95 HA2 GLY 12 HA2 GLY 12 -4.347 -17.303 11.118 96 HA3 GLY 12 HA3 GLY 12 -5.395 -17.000 9.738 97 HA PRO 13 HA PRO 13 -3.172 -21.235 8.929 98 HB2 PRO 13 HB2 PRO 13 -1.618 -22.301 10.834 99 HB3 PRO 13 HB3 PRO 13 -1.008 -21.014 9.765 100 HG2 PRO 13 HG2 PRO 13 -2.103 -20.700 12.579 101 HG3 PRO 13 HG3 PRO 13 -0.571 -20.041 11.912 102 HD2 PRO 13 HD2 PRO 13 -2.968 -18.675 12.048 103 HD3 PRO 13 HD3 PRO 13 -1.705 -18.327 10.821 104 H LYS 14 H LYS 14 -5.631 -20.566 9.993 105 HA LYS 14 HA LYS 14 -6.417 -23.161 11.196 106 HB2 LYS 14 HB2 LYS 14 -5.888 -21.670 13.078 107 HB3 LYS 14 HB3 LYS 14 -7.166 -20.554 12.581 108 HG2 LYS 14 HG2 LYS 14 -8.880 -22.151 13.093 109 HG3 LYS 14 HG3 LYS 14 -7.715 -23.488 13.168 110 HD2 LYS 14 HD2 LYS 14 -7.696 -21.189 15.145 111 HD3 LYS 14 HD3 LYS 14 -8.620 -22.691 15.386 112 HE2 LYS 14 HE2 LYS 14 -6.577 -24.043 15.154 113 HE3 LYS 14 HE3 LYS 14 -5.617 -22.590 14.850 114 HZ1 LYS 14 HZ3 LYS 14 -6.249 -21.821 17.091 115 HZ2 LYS 14 HZ1 LYS 14 -6.982 -23.278 17.378 116 HZ3 LYS 14 HZ2 LYS 14 -5.351 -23.185 17.088 117 H GLU 15 H GLU 15 -8.756 -23.477 11.202 118 HA GLU 15 HA GLU 15 -10.452 -23.965 9.867 119 HB2 GLU 15 HB2 GLU 15 -10.926 -21.191 10.869 120 HB3 GLU 15 HB3 GLU 15 -12.125 -21.956 9.832 121 HG2 GLU 15 HG2 GLU 15 -11.053 -23.158 12.423 122 HG3 GLU 15 HG3 GLU 15 -12.549 -22.234 12.279 123 HA PRO 16 HA PRO 16 -10.408 -21.860 5.617 124 HB2 PRO 16 HB2 PRO 16 -9.422 -19.266 5.299 125 HB3 PRO 16 HB3 PRO 16 -11.123 -19.695 5.647 126 HG2 PRO 16 HG2 PRO 16 -8.948 -18.940 7.628 127 HG3 PRO 16 HG3 PRO 16 -10.593 -18.229 7.459 128 HD2 PRO 16 HD2 PRO 16 -10.101 -20.102 9.272 129 HD3 PRO 16 HD3 PRO 16 -11.599 -20.208 8.305 130 H PHE 17 H PHE 17 -8.470 -23.527 6.491 131 HA PHE 17 HA PHE 17 -5.772 -22.698 5.895 132 HB2 PHE 17 HB2 PHE 17 -6.927 -25.164 6.660 133 HB3 PHE 17 HB3 PHE 17 -6.288 -25.476 5.081 134 HD1 PHE 17 HD2 PHE 17 -5.169 -23.551 8.125 135 HD2 PHE 17 HD1 PHE 17 -4.095 -26.641 5.261 136 HE1 PHE 17 HE2 PHE 17 -2.876 -23.749 9.130 137 HE2 PHE 17 HE1 PHE 17 -1.791 -26.668 6.225 138 HZ PHE 17 HZ PHE 17 -1.227 -25.233 8.145 139 H ARG 18 H ARG 18 -8.302 -24.217 3.636 140 HA ARG 18 HA ARG 18 -6.418 -24.004 1.484 141 HB2 ARG 18 HB2 ARG 18 -7.900 -25.105 0.157 142 HB3 ARG 18 HB3 ARG 18 -8.126 -25.785 1.745 143 HG2 ARG 18 HG2 ARG 18 -10.261 -25.632 0.811 144 HG3 ARG 18 HG3 ARG 18 -10.171 -24.353 2.036 145 HD2 ARG 18 HD2 ARG 18 -10.300 -22.680 0.393 146 HD3 ARG 18 HD3 ARG 18 -9.204 -23.537 -0.623 147 HE ARG 18 HE ARG 18 -11.021 -24.172 -1.860 148 HH11 ARG 18 HH11 ARG 18 -12.241 -23.261 1.295 149 HH12 ARG 18 HH12 ARG 18 -13.851 -23.318 0.810 150 HH21 ARG 18 HH21 ARG 18 -13.194 -24.170 -2.441 151 HH22 ARG 18 HH22 ARG 18 -14.403 -23.882 -1.218 152 H ASP 19 H ASP 19 -9.206 -22.217 2.576 153 HA ASP 19 HA ASP 19 -9.317 -20.285 0.519 154 HB2 ASP 19 HB2 ASP 19 -10.268 -20.087 3.388 155 HB3 ASP 19 HB3 ASP 19 -10.819 -19.075 2.050 156 H TYR 20 H TYR 20 -6.802 -20.672 2.459 157 HA TYR 20 HA TYR 20 -5.853 -17.911 1.983 158 HB2 TYR 20 HB2 TYR 20 -6.275 -18.327 4.399 159 HB3 TYR 20 HB3 TYR 20 -5.119 -19.639 4.362 160 HD1 TYR 20 HD2 TYR 20 -4.139 -16.728 2.313 161 HD2 TYR 20 HD1 TYR 20 -4.139 -18.395 6.298 162 HE1 TYR 20 HE2 TYR 20 -2.174 -15.351 2.897 163 HE2 TYR 20 HE1 TYR 20 -2.205 -16.972 6.875 164 HH TYR 20 HH TYR 20 -0.677 -15.389 6.086 165 H VAL 21 H VAL 21 -4.896 -21.391 2.366 166 HA VAL 21 HA VAL 21 -2.227 -21.125 1.722 167 HB VAL 21 HB VAL 21 -3.425 -23.186 2.558 168 HG11 VAL 21 HG11 VAL 21 -3.567 -24.251 -0.241 169 HG12 VAL 21 HG12 VAL 21 -4.338 -24.809 1.270 170 HG13 VAL 21 HG13 VAL 21 -4.929 -23.376 0.393 171 HG21 VAL 21 HG23 VAL 21 -1.445 -23.653 0.333 172 HG22 VAL 21 HG21 VAL 21 -1.031 -23.015 1.936 173 HG23 VAL 21 HG22 VAL 21 -1.825 -24.594 1.803 174 H ASP 22 H ASP 22 -4.846 -21.736 -0.580 175 HA ASP 22 HA ASP 22 -3.502 -21.972 -2.976 176 HB2 ASP 22 HB2 ASP 22 -6.049 -20.580 -2.129 177 HB3 ASP 22 HB3 ASP 22 -5.702 -20.969 -3.766 178 H ARG 23 H ARG 23 -4.788 -19.208 -1.413 179 HA ARG 23 HA ARG 23 -3.871 -17.124 -3.165 180 HB2 ARG 23 HB2 ARG 23 -4.529 -16.251 -0.423 181 HB3 ARG 23 HB3 ARG 23 -5.242 -15.794 -1.959 182 HG2 ARG 23 HG2 ARG 23 -5.966 -18.229 -0.298 183 HG3 ARG 23 HG3 ARG 23 -6.867 -16.736 -0.345 184 HD2 ARG 23 HD2 ARG 23 -6.411 -18.177 -2.948 185 HD3 ARG 23 HD3 ARG 23 -7.497 -18.911 -1.750 186 HE ARG 23 HE ARG 23 -8.214 -16.189 -2.055 187 HH11 ARG 23 HH11 ARG 23 -8.474 -19.286 -3.681 188 HH12 ARG 23 HH12 ARG 23 -9.925 -18.868 -4.522 189 HH21 ARG 23 HH21 ARG 23 -10.134 -15.686 -3.204 190 HH22 ARG 23 HH22 ARG 23 -10.815 -16.862 -4.282 191 H PHE 24 H PHE 24 -2.490 -18.562 -0.316 192 HA PHE 24 HA PHE 24 -0.447 -16.560 0.210 193 HB2 PHE 24 HB2 PHE 24 -1.198 -17.838 2.066 194 HB3 PHE 24 HB3 PHE 24 -0.988 -19.362 1.216 195 HD1 PHE 24 HD2 PHE 24 0.808 -16.612 2.966 196 HD2 PHE 24 HD1 PHE 24 1.108 -20.527 1.198 197 HE1 PHE 24 HE2 PHE 24 3.143 -16.842 3.797 198 HE2 PHE 24 HE1 PHE 24 3.436 -20.724 2.006 199 HZ PHE 24 HZ PHE 24 4.545 -18.737 3.104 200 H TYR 25 H TYR 25 -0.196 -19.993 -1.085 201 HA TYR 25 HA TYR 25 2.522 -19.592 -1.879 202 HB2 TYR 25 HB2 TYR 25 0.528 -21.718 -2.275 203 HB3 TYR 25 HB3 TYR 25 1.733 -21.565 -3.542 204 HD1 TYR 25 HD2 TYR 25 4.164 -21.786 -3.069 205 HD2 TYR 25 HD1 TYR 25 1.236 -22.512 0.007 206 HE1 TYR 25 HE2 TYR 25 5.914 -22.847 -1.653 207 HE2 TYR 25 HE1 TYR 25 3.013 -23.572 1.406 208 HH TYR 25 HH TYR 25 5.318 -24.254 1.598 209 H LYS 26 H LYS 26 -0.487 -18.927 -3.684 210 HA LYS 26 HA LYS 26 0.544 -18.093 -6.166 211 HB2 LYS 26 HB2 LYS 26 -1.772 -18.316 -5.850 212 HB3 LYS 26 HB3 LYS 26 -1.807 -17.256 -4.456 213 HG2 LYS 26 HG2 LYS 26 -1.137 -16.166 -7.195 214 HG3 LYS 26 HG3 LYS 26 -2.804 -16.430 -6.711 215 HD2 LYS 26 HD2 LYS 26 -0.998 -14.840 -4.879 216 HD3 LYS 26 HD3 LYS 26 -1.660 -14.068 -6.309 217 HE2 LYS 26 HE2 LYS 26 -3.768 -13.988 -5.463 218 HE3 LYS 26 HE3 LYS 26 -3.634 -15.566 -4.667 219 HZ1 LYS 26 HZ3 LYS 26 -2.407 -14.610 -2.901 220 HZ2 LYS 26 HZ1 LYS 26 -2.162 -13.211 -3.632 221 HZ3 LYS 26 HZ2 LYS 26 -3.691 -13.585 -3.104 222 H THR 27 H THR 27 1.054 -16.407 -3.091 223 HA THR 27 HA THR 27 1.893 -13.911 -4.484 224 HB THR 27 HB THR 27 0.535 -14.638 -1.883 225 HG1 THR 27 HG1 THR 27 0.230 -12.333 -3.387 226 HG21 THR 27 HG23 THR 27 2.522 -13.104 -1.376 227 HG22 THR 27 HG21 THR 27 1.666 -11.880 -2.322 228 HG23 THR 27 HG22 THR 27 0.902 -12.586 -0.888 229 H LEU 28 H LEU 28 2.665 -16.026 -1.700 230 HA LEU 28 HA LEU 28 5.232 -15.494 -0.975 231 HB2 LEU 28 HB2 LEU 28 4.082 -17.307 0.002 232 HB3 LEU 28 HB3 LEU 28 3.850 -18.091 -1.555 233 HG LEU 28 HG LEU 28 6.684 -17.744 -0.669 234 HD11 LEU 28 HD11 LEU 28 4.866 -19.825 0.526 235 HD12 LEU 28 HD12 LEU 28 6.630 -19.801 0.666 236 HD13 LEU 28 HD13 LEU 28 5.718 -18.476 1.371 237 HD21 LEU 28 HD23 LEU 28 5.088 -19.950 -2.034 238 HD22 LEU 28 HD21 LEU 28 6.335 -18.963 -2.791 239 HD23 LEU 28 HD22 LEU 28 6.786 -20.143 -1.579 240 H ARG 29 H ARG 29 4.452 -17.181 -4.038 241 HA ARG 29 HA ARG 29 7.114 -17.674 -4.809 242 HB2 ARG 29 HB2 ARG 29 6.245 -17.985 -7.079 243 HB3 ARG 29 HB3 ARG 29 5.283 -18.773 -5.842 244 HG2 ARG 29 HG2 ARG 29 3.730 -17.879 -7.338 245 HG3 ARG 29 HG3 ARG 29 3.664 -16.819 -5.939 246 HD2 ARG 29 HD2 ARG 29 5.093 -15.154 -7.133 247 HD3 ARG 29 HD3 ARG 29 5.159 -16.222 -8.537 248 HE ARG 29 HE ARG 29 2.957 -14.527 -7.616 249 HH11 ARG 29 HH11 ARG 29 3.595 -17.363 -9.528 250 HH12 ARG 29 HH12 ARG 29 2.103 -17.237 -10.423 251 HH21 ARG 29 HH21 ARG 29 1.062 -14.442 -8.700 252 HH22 ARG 29 HH22 ARG 29 0.686 -15.596 -9.951 253 H ALA 30 H ALA 30 5.991 -14.506 -4.409 254 HA ALA 30 HA ALA 30 7.943 -13.375 -6.330 255 HB1 ALA 30 HB3 ALA 30 5.854 -12.141 -5.871 256 HB2 ALA 30 HB1 ALA 30 6.204 -12.141 -4.129 257 HB3 ALA 30 HB2 ALA 30 7.242 -11.232 -5.241 258 H GLU 31 H GLU 31 7.690 -14.076 -2.820 259 HA GLU 31 HA GLU 31 10.407 -13.075 -2.310 260 HB2 GLU 31 HB2 GLU 31 9.096 -14.755 -0.246 261 HB3 GLU 31 HB3 GLU 31 9.935 -13.229 -0.101 262 HG2 GLU 31 HG2 GLU 31 7.041 -13.717 -0.896 263 HG3 GLU 31 HG3 GLU 31 7.631 -13.025 0.608 264 H GLN 32 H GLN 32 8.924 -16.136 -3.055 265 HA GLN 32 HA GLN 32 11.427 -17.657 -2.359 266 HB2 GLN 32 HB2 GLN 32 8.522 -18.519 -2.350 267 HB3 GLN 32 HB3 GLN 32 9.874 -19.539 -1.886 268 HG2 GLN 32 HG2 GLN 32 9.012 -17.021 -0.385 269 HG3 GLN 32 HG3 GLN 32 8.577 -18.645 0.070 270 HE21 GLN 32 HE22 GLN 32 11.534 -16.496 -0.312 271 HE22 GLN 32 HE21 GLN 32 12.374 -17.456 0.910 272 H ALA 33 H ALA 33 9.451 -16.880 -5.041 273 HA ALA 33 HA ALA 33 8.873 -17.893 -7.013 274 HB1 ALA 33 HB3 ALA 33 10.885 -16.581 -7.278 275 HB2 ALA 33 HB1 ALA 33 11.891 -18.031 -6.993 276 HB3 ALA 33 HB2 ALA 33 10.846 -17.929 -8.430 277 H SER 34 H SER 34 9.045 -20.132 -4.886 278 HA SER 34 HA SER 34 9.062 -22.418 -6.771 279 HB2 SER 34 HB2 SER 34 10.643 -23.611 -5.280 280 HB3 SER 34 HB3 SER 34 11.366 -22.173 -6.013 281 HG SER 34 HG SER 34 11.136 -21.069 -4.104 282 H GLN 35 H GLN 35 8.657 -24.494 -5.457 283 HA GLN 35 HA GLN 35 6.690 -24.276 -3.263 284 HB2 GLN 35 HB2 GLN 35 5.607 -24.014 -5.617 285 HB3 GLN 35 HB3 GLN 35 6.096 -25.662 -5.929 286 HG2 GLN 35 HG2 GLN 35 4.132 -24.632 -3.840 287 HG3 GLN 35 HG3 GLN 35 3.780 -25.605 -5.281 288 HE21 GLN 35 HE22 GLN 35 5.410 -27.767 -5.192 289 HE22 GLN 35 HE21 GLN 35 5.079 -28.623 -3.684 290 H GLU 36 H GLU 36 7.729 -25.641 -1.845 291 HA GLU 36 HA GLU 36 8.729 -28.263 -2.689 292 HB2 GLU 36 HB2 GLU 36 10.483 -26.515 -3.367 293 HB3 GLU 36 HB3 GLU 36 10.647 -26.135 -1.651 294 HG2 GLU 36 HG2 GLU 36 11.308 -28.540 -1.249 295 HG3 GLU 36 HG3 GLU 36 11.157 -28.840 -2.985 296 H VAL 37 H VAL 37 9.238 -29.578 -0.934 297 HA VAL 37 HA VAL 37 7.890 -29.285 1.515 298 HB VAL 37 HB VAL 37 10.208 -31.078 0.704 299 HG11 VAL 37 HG11 VAL 37 8.247 -31.341 3.010 300 HG12 VAL 37 HG12 VAL 37 9.267 -32.671 2.418 301 HG13 VAL 37 HG13 VAL 37 10.020 -31.225 3.103 302 HG21 VAL 37 HG23 VAL 37 7.201 -31.465 0.514 303 HG22 VAL 37 HG21 VAL 37 8.348 -31.349 -0.840 304 HG23 VAL 37 HG22 VAL 37 8.401 -32.743 0.234 305 H LYS 38 H LYS 38 10.996 -28.108 0.648 306 HA LYS 38 HA LYS 38 12.038 -27.610 3.353 307 HB2 LYS 38 HB2 LYS 38 12.738 -26.886 0.509 308 HB3 LYS 38 HB3 LYS 38 13.570 -26.065 1.831 309 HG2 LYS 38 HG2 LYS 38 14.682 -27.956 2.565 310 HG3 LYS 38 HG3 LYS 38 13.511 -29.072 1.858 311 HD2 LYS 38 HD2 LYS 38 15.706 -29.063 0.659 312 HD3 LYS 38 HD3 LYS 38 14.294 -28.738 -0.334 313 HE2 LYS 38 HE2 LYS 38 14.933 -26.187 0.153 314 HE3 LYS 38 HE3 LYS 38 16.534 -26.866 0.467 315 HZ1 LYS 38 HZ3 LYS 38 16.261 -27.917 -1.851 316 HZ2 LYS 38 HZ1 LYS 38 14.861 -27.102 -1.966 317 HZ3 LYS 38 HZ2 LYS 38 16.219 -26.242 -1.889 318 H ASN 39 H ASN 39 9.352 -26.796 3.107 319 HA ASN 39 HA ASN 39 8.753 -24.282 2.183 320 HB2 ASN 39 HB2 ASN 39 7.692 -25.487 4.780 321 HB3 ASN 39 HB3 ASN 39 7.022 -24.214 3.739 322 HD21 ASN 39 HD22 ASN 39 5.158 -24.776 3.427 323 HD22 ASN 39 HD21 ASN 39 4.660 -26.287 2.700 324 H ALA 40 H ALA 40 10.340 -24.978 5.274 325 HA ALA 40 HA ALA 40 9.814 -22.627 6.692 326 HB1 ALA 40 HB3 ALA 40 10.567 -24.786 7.641 327 HB2 ALA 40 HB1 ALA 40 12.186 -24.531 6.932 328 HB3 ALA 40 HB2 ALA 40 11.571 -23.439 8.191 329 H MET 41 H MET 41 11.246 -22.295 3.894 330 HA MET 41 HA MET 41 13.391 -20.370 4.548 331 HB2 MET 41 HB2 MET 41 12.011 -21.189 1.963 332 HB3 MET 41 HB3 MET 41 13.300 -19.971 2.059 333 HG2 MET 41 HG2 MET 41 14.805 -21.695 3.038 334 HG3 MET 41 HG3 MET 41 13.542 -22.904 2.833 335 HE1 MET 41 HE3 MET 41 12.623 -23.743 0.483 336 HE2 MET 41 HE1 MET 41 12.338 -22.100 -0.137 337 HE3 MET 41 HE2 MET 41 13.293 -23.254 -1.085 338 H THR 42 H THR 42 9.973 -20.372 4.493 339 HA THR 42 HA THR 42 9.846 -17.449 4.990 340 HB THR 42 HB THR 42 7.383 -17.956 3.854 341 HG1 THR 42 HG1 THR 42 9.254 -19.384 2.313 342 HG21 THR 42 HG23 THR 42 8.775 -16.058 3.420 343 HG22 THR 42 HG21 THR 42 9.972 -17.069 2.606 344 HG23 THR 42 HG22 THR 42 8.343 -16.807 1.877 345 H GLU 43 H GLU 43 7.342 -17.056 5.704 346 HA GLU 43 HA GLU 43 7.005 -18.270 8.309 347 HB2 GLU 43 HB2 GLU 43 4.814 -17.083 8.287 348 HB3 GLU 43 HB3 GLU 43 6.144 -16.013 7.894 349 HG2 GLU 43 HG2 GLU 43 4.585 -17.282 5.639 350 HG3 GLU 43 HG3 GLU 43 3.845 -16.030 6.613 351 H THR 44 H THR 44 6.072 -19.308 5.236 352 HA THR 44 HA THR 44 4.336 -20.739 4.463 353 HB THR 44 HB THR 44 6.492 -21.686 4.233 354 HG1 THR 44 HG1 THR 44 4.562 -23.443 5.232 355 HG21 THR 44 HG23 THR 44 7.397 -21.757 6.456 356 HG22 THR 44 HG21 THR 44 6.087 -22.754 7.069 357 HG23 THR 44 HG22 THR 44 7.274 -23.423 5.931 358 H LEU 45 H LEU 45 2.869 -19.782 6.453 359 HA LEU 45 HA LEU 45 2.163 -21.567 8.438 360 HB2 LEU 45 HB2 LEU 45 -0.125 -19.904 7.725 361 HB3 LEU 45 HB3 LEU 45 0.857 -19.990 9.172 362 HG LEU 45 HG LEU 45 2.546 -18.463 7.941 363 HD11 LEU 45 HD11 LEU 45 0.051 -17.964 6.238 364 HD12 LEU 45 HD12 LEU 45 1.556 -17.010 6.214 365 HD13 LEU 45 HD13 LEU 45 1.544 -18.672 5.638 366 HD21 LEU 45 HD23 LEU 45 -0.232 -17.439 8.638 367 HD22 LEU 45 HD21 LEU 45 1.118 -17.697 9.772 368 HD23 LEU 45 HD22 LEU 45 1.258 -16.454 8.523 369 H LEU 46 H LEU 46 1.672 -22.377 5.319 370 HA LEU 46 HA LEU 46 0.110 -24.633 5.654 371 HB2 LEU 46 HB2 LEU 46 -1.939 -23.892 4.273 372 HB3 LEU 46 HB3 LEU 46 -1.887 -23.468 5.940 373 HG LEU 46 HG LEU 46 -2.655 -21.818 3.966 374 HD11 LEU 46 HD11 LEU 46 -1.704 -21.033 6.693 375 HD12 LEU 46 HD12 LEU 46 -2.698 -20.052 5.602 376 HD13 LEU 46 HD13 LEU 46 -3.312 -21.593 6.222 377 HD21 LEU 46 HD23 LEU 46 -0.040 -20.558 4.783 378 HD22 LEU 46 HD21 LEU 46 -0.259 -21.407 3.248 379 HD23 LEU 46 HD22 LEU 46 -1.244 -19.981 3.637 380 H VAL 47 H VAL 47 -0.570 -25.660 3.473 381 HA VAL 47 HA VAL 47 1.268 -25.008 1.275 382 HB VAL 47 HB VAL 47 1.168 -27.849 2.363 383 HG11 VAL 47 HG11 VAL 47 3.135 -26.258 0.658 384 HG12 VAL 47 HG12 VAL 47 3.351 -27.947 1.158 385 HG13 VAL 47 HG13 VAL 47 2.025 -27.522 0.086 386 HG21 VAL 47 HG23 VAL 47 2.982 -25.602 3.237 387 HG22 VAL 47 HG21 VAL 47 1.981 -26.627 4.242 388 HG23 VAL 47 HG22 VAL 47 3.372 -27.358 3.441 389 H GLN 48 H GLN 48 0.539 -25.626 -0.663 390 HA GLN 48 HA GLN 48 -2.159 -26.142 -1.181 391 HB2 GLN 48 HB2 GLN 48 0.291 -26.559 -2.921 392 HB3 GLN 48 HB3 GLN 48 -1.372 -26.670 -3.522 393 HG2 GLN 48 HG2 GLN 48 -1.840 -24.369 -2.920 394 HG3 GLN 48 HG3 GLN 48 -0.287 -24.203 -2.102 395 HE21 GLN 48 HE22 GLN 48 1.709 -24.220 -3.459 396 HE22 GLN 48 HE21 GLN 48 1.511 -23.796 -5.167 397 H ASN 49 H ASN 49 0.528 -28.537 -1.270 398 HA ASN 49 HA ASN 49 -1.073 -30.862 -1.653 399 HB2 ASN 49 HB2 ASN 49 1.785 -30.126 -1.138 400 HB3 ASN 49 HB3 ASN 49 1.298 -31.690 -0.596 401 HD21 ASN 49 HD22 ASN 49 0.703 -33.263 -2.072 402 HD22 ASN 49 HD21 ASN 49 0.938 -32.998 -3.814 403 H ALA 50 H ALA 50 -2.057 -29.106 0.516 404 HA ALA 50 HA ALA 50 -1.925 -30.693 2.931 405 HB1 ALA 50 HB3 ALA 50 -2.450 -28.375 3.157 406 HB2 ALA 50 HB1 ALA 50 -3.699 -28.441 1.904 407 HB3 ALA 50 HB2 ALA 50 -3.954 -29.235 3.483 408 H ASN 51 H ASN 51 -3.476 -31.048 -0.069 409 HA ASN 51 HA ASN 51 -4.996 -32.471 -0.989 410 HB2 ASN 51 HB2 ASN 51 -3.948 -34.302 1.201 411 HB3 ASN 51 HB3 ASN 51 -4.511 -34.789 -0.393 412 HD21 ASN 51 HD22 ASN 51 -1.837 -35.081 0.963 413 HD22 ASN 51 HD21 ASN 51 -0.738 -34.419 -0.243 414 HA PRO 52 HA PRO 52 -8.785 -32.764 1.605 415 HB2 PRO 52 HB2 PRO 52 -8.685 -35.637 2.467 416 HB3 PRO 52 HB3 PRO 52 -9.994 -34.751 1.638 417 HG2 PRO 52 HG2 PRO 52 -8.415 -36.554 0.310 418 HG3 PRO 52 HG3 PRO 52 -8.965 -35.043 -0.475 419 HD2 PRO 52 HD2 PRO 52 -6.304 -35.648 0.823 420 HD3 PRO 52 HD3 PRO 52 -6.656 -34.852 -0.748 421 H ASP 53 H ASP 53 -6.450 -35.014 3.074 422 HA ASP 53 HA ASP 53 -7.239 -34.922 5.664 423 HB2 ASP 53 HB2 ASP 53 -4.453 -35.539 4.682 424 HB3 ASP 53 HB3 ASP 53 -5.227 -36.141 6.147 425 H CYS 54 H CYS 54 -4.267 -33.030 4.562 426 HA CYS 54 HA CYS 54 -3.842 -32.086 7.285 427 HB2 CYS 54 HB2 CYS 54 -1.906 -31.832 6.155 428 HB3 CYS 54 HB3 CYS 54 -2.708 -31.496 4.611 429 HG CYS 54 HG CYS 54 -0.898 -29.700 5.759 430 H LYS 55 H LYS 55 -5.458 -30.671 4.486 431 HA LYS 55 HA LYS 55 -6.354 -28.221 5.634 432 HB2 LYS 55 HB2 LYS 55 -7.248 -30.108 3.493 433 HB3 LYS 55 HB3 LYS 55 -8.429 -28.921 4.032 434 HG2 LYS 55 HG2 LYS 55 -7.269 -27.098 3.230 435 HG3 LYS 55 HG3 LYS 55 -5.700 -27.797 3.524 436 HD2 LYS 55 HD2 LYS 55 -5.969 -27.503 1.152 437 HD3 LYS 55 HD3 LYS 55 -5.862 -29.216 1.552 438 HE2 LYS 55 HE2 LYS 55 -8.430 -29.254 1.474 439 HE3 LYS 55 HE3 LYS 55 -8.338 -27.638 0.747 440 HZ1 LYS 55 HZ3 LYS 55 -6.834 -28.703 -0.965 441 HZ2 LYS 55 HZ1 LYS 55 -7.173 -30.152 -0.260 442 HZ3 LYS 55 HZ2 LYS 55 -8.380 -29.295 -0.990 443 H THR 56 H THR 56 -8.160 -31.355 5.647 444 HA THR 56 HA THR 56 -10.189 -30.186 7.312 445 HB THR 56 HB THR 56 -10.541 -32.062 5.683 446 HG1 THR 56 HG1 THR 56 -11.465 -32.312 8.331 447 HG21 THR 56 HG23 THR 56 -8.829 -33.672 6.487 448 HG22 THR 56 HG21 THR 56 -9.700 -33.831 8.026 449 HG23 THR 56 HG22 THR 56 -10.461 -34.344 6.504 450 H ILE 57 H ILE 57 -7.120 -31.376 8.119 451 HA ILE 57 HA ILE 57 -7.901 -31.941 10.969 452 HB ILE 57 HB ILE 57 -5.332 -32.301 9.410 453 HG12 ILE 57 HG12 ILE 57 -6.989 -34.423 10.843 454 HG13 ILE 57 HG13 ILE 57 -7.373 -33.918 9.200 455 HG21 ILE 57 HG21 ILE 57 -5.788 -32.835 12.382 456 HG22 ILE 57 HG22 ILE 57 -4.392 -33.412 11.454 457 HG23 ILE 57 HG23 ILE 57 -4.619 -31.691 11.679 458 HD11 ILE 57 HD13 ILE 57 -5.015 -34.418 8.524 459 HD12 ILE 57 HD11 ILE 57 -4.774 -35.189 10.110 460 HD13 ILE 57 HD12 ILE 57 -5.991 -35.828 8.984 461 H LEU 58 H LEU 58 -5.234 -29.914 9.474 462 HA LEU 58 HA LEU 58 -4.870 -28.406 11.809 463 HB2 LEU 58 HB2 LEU 58 -4.264 -27.576 8.953 464 HB3 LEU 58 HB3 LEU 58 -3.649 -26.839 10.431 465 HG LEU 58 HG LEU 58 -2.781 -29.243 11.020 466 HD11 LEU 58 HD11 LEU 58 -3.291 -29.433 8.128 467 HD12 LEU 58 HD12 LEU 58 -2.006 -30.425 8.830 468 HD13 LEU 58 HD13 LEU 58 -3.666 -30.639 9.375 469 HD21 LEU 58 HD23 LEU 58 -1.741 -27.245 9.011 470 HD22 LEU 58 HD21 LEU 58 -1.130 -27.604 10.644 471 HD23 LEU 58 HD22 LEU 58 -0.787 -28.654 9.236 472 H LYS 59 H LYS 59 -7.320 -28.148 9.427 473 HA LYS 59 HA LYS 59 -8.653 -25.761 9.680 474 HB2 LYS 59 HB2 LYS 59 -9.460 -28.585 9.646 475 HB3 LYS 59 HB3 LYS 59 -10.613 -27.563 10.468 476 HG2 LYS 59 HG2 LYS 59 -9.676 -26.463 7.864 477 HG3 LYS 59 HG3 LYS 59 -10.497 -28.008 7.761 478 HD2 LYS 59 HD2 LYS 59 -11.621 -25.574 9.167 479 HD3 LYS 59 HD3 LYS 59 -12.022 -26.011 7.514 480 HE2 LYS 59 HE2 LYS 59 -13.484 -27.624 8.139 481 HE3 LYS 59 HE3 LYS 59 -12.371 -28.272 9.361 482 HZ1 LYS 59 HZ3 LYS 59 -13.037 -26.497 10.865 483 HZ2 LYS 59 HZ1 LYS 59 -13.922 -25.793 9.836 484 HZ3 LYS 59 HZ2 LYS 59 -14.420 -27.290 10.390 485 H ALA 60 H ALA 60 -8.511 -28.189 12.198 486 HA ALA 60 HA ALA 60 -9.177 -26.153 14.308 487 HB1 ALA 60 HB3 ALA 60 -10.606 -28.158 14.276 488 HB2 ALA 60 HB1 ALA 60 -9.173 -29.208 14.367 489 HB3 ALA 60 HB2 ALA 60 -9.592 -28.146 15.733 490 H LEU 61 H LEU 61 -6.626 -28.285 13.112 491 HA LEU 61 HA LEU 61 -5.136 -28.245 15.642 492 HB2 LEU 61 HB2 LEU 61 -5.548 -30.267 13.875 493 HB3 LEU 61 HB3 LEU 61 -4.008 -29.688 13.287 494 HG LEU 61 HG LEU 61 -3.157 -29.792 15.698 495 HD11 LEU 61 HD11 LEU 61 -5.655 -31.506 16.072 496 HD12 LEU 61 HD12 LEU 61 -4.309 -31.358 17.219 497 HD13 LEU 61 HD13 LEU 61 -5.344 -29.964 16.888 498 HD21 LEU 61 HD23 LEU 61 -4.045 -32.426 14.426 499 HD22 LEU 61 HD21 LEU 61 -2.603 -31.493 13.979 500 HD23 LEU 61 HD22 LEU 61 -2.716 -32.206 15.590 501 H GLY 62 H GLY 62 -5.247 -25.801 14.827 502 HA2 GLY 62 HA2 GLY 62 -2.451 -25.075 13.994 503 HA3 GLY 62 HA3 GLY 62 -3.831 -23.990 13.971 504 HA PRO 63 HA PRO 63 -2.497 -24.029 18.530 505 HB2 PRO 63 HB2 PRO 63 -0.906 -25.901 19.683 506 HB3 PRO 63 HB3 PRO 63 -2.548 -26.358 19.145 507 HG2 PRO 63 HG2 PRO 63 0.050 -26.668 17.577 508 HG3 PRO 63 HG3 PRO 63 -1.147 -27.945 17.975 509 HD2 PRO 63 HD2 PRO 63 -1.242 -26.576 15.599 510 HD3 PRO 63 HD3 PRO 63 -2.708 -27.106 16.479 511 H ALA 64 H ALA 64 -0.892 -23.198 16.191 512 HA ALA 64 HA ALA 64 1.158 -22.371 15.496 513 HB1 ALA 64 HB3 ALA 64 0.029 -20.608 16.817 514 HB2 ALA 64 HB1 ALA 64 0.941 -21.124 18.258 515 HB3 ALA 64 HB2 ALA 64 1.798 -20.459 16.854 516 H ALA 65 H ALA 65 1.588 -24.989 16.618 517 HA ALA 65 HA ALA 65 4.509 -24.856 16.900 518 HB1 ALA 65 HB3 ALA 65 3.770 -24.636 19.249 519 HB2 ALA 65 HB1 ALA 65 2.744 -26.075 19.098 520 HB3 ALA 65 HB2 ALA 65 4.516 -26.223 18.992 521 H THR 66 H THR 66 1.994 -27.490 17.498 522 HA THR 66 HA THR 66 3.447 -29.342 15.917 523 HB THR 66 HB THR 66 0.465 -29.591 15.886 524 HG1 THR 66 HG1 THR 66 1.476 -30.448 18.205 525 HG21 THR 66 HG23 THR 66 2.036 -31.381 15.095 526 HG22 THR 66 HG21 THR 66 2.739 -31.470 16.706 527 HG23 THR 66 HG22 THR 66 1.027 -31.917 16.452 528 H LEU 67 H LEU 67 1.643 -26.643 14.792 529 HA LEU 67 HA LEU 67 0.661 -27.553 12.277 530 HB2 LEU 67 HB2 LEU 67 0.238 -25.474 13.449 531 HB3 LEU 67 HB3 LEU 67 1.830 -24.882 13.083 532 HG LEU 67 HG LEU 67 -0.634 -24.964 11.366 533 HD11 LEU 67 HD11 LEU 67 1.859 -23.207 11.487 534 HD12 LEU 67 HD12 LEU 67 0.474 -22.900 10.459 535 HD13 LEU 67 HD13 LEU 67 0.292 -22.851 12.240 536 HD21 LEU 67 HD23 LEU 67 2.081 -25.309 10.117 537 HD22 LEU 67 HD21 LEU 67 0.713 -26.472 10.062 538 HD23 LEU 67 HD22 LEU 67 0.597 -24.880 9.255 539 H GLU 68 H GLU 68 3.872 -26.213 13.235 540 HA GLU 68 HA GLU 68 4.870 -25.995 10.709 541 HB2 GLU 68 HB2 GLU 68 6.624 -26.886 13.036 542 HB3 GLU 68 HB3 GLU 68 7.026 -25.729 11.755 543 HG2 GLU 68 HG2 GLU 68 5.118 -25.376 14.093 544 HG3 GLU 68 HG3 GLU 68 6.656 -24.698 13.970 545 H GLU 69 H GLU 69 4.514 -29.055 12.429 546 HA GLU 69 HA GLU 69 6.034 -30.472 10.263 547 HB2 GLU 69 HB2 GLU 69 5.606 -32.513 11.342 548 HB3 GLU 69 HB3 GLU 69 6.129 -31.361 12.579 549 HG2 GLU 69 HG2 GLU 69 3.907 -31.144 13.429 550 HG3 GLU 69 HG3 GLU 69 3.208 -32.086 12.117 551 H MET 70 H MET 70 2.711 -29.787 11.303 552 HA MET 70 HA MET 70 1.397 -31.767 9.710 553 HB2 MET 70 HB2 MET 70 0.451 -29.226 10.947 554 HB3 MET 70 HB3 MET 70 -0.597 -30.520 10.310 555 HG2 MET 70 HG2 MET 70 1.358 -31.164 12.374 556 HG3 MET 70 HG3 MET 70 -0.088 -30.222 12.782 557 HE1 MET 70 HE3 MET 70 1.377 -33.583 11.286 558 HE2 MET 70 HE1 MET 70 1.359 -33.582 13.060 559 HE3 MET 70 HE2 MET 70 0.347 -34.731 12.167 560 H MET 71 H MET 71 2.373 -28.563 9.131 561 HA MET 71 HA MET 71 1.167 -27.433 6.918 562 HB2 MET 71 HB2 MET 71 2.945 -26.364 8.100 563 HB3 MET 71 HB3 MET 71 4.022 -27.716 7.868 564 HG2 MET 71 HG2 MET 71 4.230 -27.040 5.402 565 HG3 MET 71 HG3 MET 71 3.301 -25.601 5.786 566 HE1 MET 71 HE3 MET 71 6.147 -27.767 7.517 567 HE2 MET 71 HE1 MET 71 6.959 -27.306 6.015 568 HE3 MET 71 HE2 MET 71 7.487 -26.611 7.560 569 H THR 72 H THR 72 3.908 -29.722 6.750 570 HA THR 72 HA THR 72 3.011 -30.513 4.038 571 HB THR 72 HB THR 72 5.748 -31.189 4.563 572 HG1 THR 72 HG1 THR 72 6.238 -28.747 4.160 573 HG21 THR 72 HG23 THR 72 4.623 -30.950 2.314 574 HG22 THR 72 HG21 THR 72 4.613 -29.198 2.555 575 HG23 THR 72 HG22 THR 72 6.149 -30.086 2.448 576 H ALA 73 H ALA 73 3.412 -31.896 7.208 577 HA ALA 73 HA ALA 73 4.407 -34.419 6.618 578 HB1 ALA 73 HB3 ALA 73 3.867 -33.750 8.882 579 HB2 ALA 73 HB1 ALA 73 2.130 -33.671 8.499 580 HB3 ALA 73 HB2 ALA 73 2.983 -35.230 8.507 581 H CYS 74 H CYS 74 1.357 -33.158 5.621 582 HA CYS 74 HA CYS 74 0.055 -35.715 4.912 583 HB2 CYS 74 HB2 CYS 74 -1.191 -33.708 5.584 584 HB3 CYS 74 HB3 CYS 74 -0.547 -32.817 4.176 585 HG CYS 74 HG CYS 74 -2.867 -33.293 3.333 586 H GLN 75 H GLN 75 2.297 -33.636 3.310 587 HA GLN 75 HA GLN 75 1.920 -33.021 0.932 588 HB2 GLN 75 HB2 GLN 75 4.198 -33.785 0.212 589 HB3 GLN 75 HB3 GLN 75 4.044 -32.899 1.711 590 HG2 GLN 75 HG2 GLN 75 4.044 -35.287 2.852 591 HG3 GLN 75 HG3 GLN 75 4.780 -35.801 1.332 592 HE21 GLN 75 HE22 GLN 75 6.007 -35.796 4.020 593 HE22 GLN 75 HE21 GLN 75 7.345 -34.658 3.896 594 H GLY 76 H GLY 76 2.770 -36.492 1.006 595 HA2 GLY 76 HA2 GLY 76 0.818 -37.007 -1.168 596 HA3 GLY 76 HA3 GLY 76 2.509 -37.464 -1.447 597 H VAL 77 H VAL 77 0.805 -37.605 1.678 598 HA VAL 77 HA VAL 77 1.619 -40.355 2.159 599 HB VAL 77 HB VAL 77 -0.344 -38.519 3.598 600 HG11 VAL 77 HG11 VAL 77 0.807 -41.196 4.509 601 HG12 VAL 77 HG12 VAL 77 -0.066 -40.042 5.550 602 HG13 VAL 77 HG13 VAL 77 -0.906 -40.823 4.214 603 HG21 VAL 77 HG23 VAL 77 2.526 -39.333 4.254 604 HG22 VAL 77 HG21 VAL 77 2.018 -37.744 3.648 605 HG23 VAL 77 HG22 VAL 77 1.483 -38.285 5.239 606 H GLY 78 H GLY 78 -1.399 -38.850 1.001 607 HA2 GLY 78 HA2 GLY 78 -2.471 -40.771 -0.553 608 HA3 GLY 78 HA3 GLY 78 -2.835 -41.412 1.054 609 H GLY 79 H GLY 79 -5.017 -41.222 0.850 610 HA2 GLY 79 HA2 GLY 79 -6.113 -38.851 1.897 611 HA3 GLY 79 HA3 GLY 79 -6.699 -39.054 0.239 612 HA PRO 80 HA PRO 80 -8.751 -41.735 3.570 613 HB2 PRO 80 HB2 PRO 80 -11.268 -40.641 3.847 614 HB3 PRO 80 HB3 PRO 80 -9.812 -40.102 4.738 615 HG2 PRO 80 HG2 PRO 80 -11.002 -38.913 2.223 616 HG3 PRO 80 HG3 PRO 80 -10.451 -38.060 3.702 617 HD2 PRO 80 HD2 PRO 80 -8.856 -38.258 1.503 618 HD3 PRO 80 HD3 PRO 80 -8.179 -38.364 3.150 619 H GLY 81 H GLY 81 -9.570 -43.589 3.115 620 HA2 GLY 81 HA2 GLY 81 -11.038 -45.230 2.497 621 HA3 GLY 81 HA3 GLY 81 -12.059 -44.012 1.738 622 H HIS 82 H HIS 82 -11.172 -43.195 -0.439 623 HA HIS 82 HA HIS 82 -9.737 -45.015 -2.157 624 HB2 HIS 82 HB2 HIS 82 -11.506 -46.025 -3.415 625 HB3 HIS 82 HB3 HIS 82 -11.757 -46.463 -1.738 626 HD2 HIS 82 HD2 HIS 82 -13.519 -44.100 -0.642 627 HE1 HIS 82 HE1 HIS 82 -16.006 -44.525 -4.069 628 HE2 HIS 82 HE2 HIS 82 -15.858 -43.571 -1.703 629 H LYS 83 H LYS 83 -12.554 -42.867 -2.121 630 HA LYS 83 HA LYS 83 -11.089 -40.884 -3.733 631 HB2 LYS 83 HB2 LYS 83 -12.667 -41.828 -5.305 632 HB3 LYS 83 HB3 LYS 83 -13.981 -41.790 -4.114 633 HG2 LYS 83 HG2 LYS 83 -13.967 -39.353 -4.087 634 HG3 LYS 83 HG3 LYS 83 -12.563 -39.306 -5.165 635 HD2 LYS 83 HD2 LYS 83 -13.905 -40.100 -7.025 636 HD3 LYS 83 HD3 LYS 83 -15.310 -40.385 -5.950 637 HE2 LYS 83 HE2 LYS 83 -15.389 -38.009 -5.334 638 HE3 LYS 83 HE3 LYS 83 -13.885 -37.698 -6.171 639 HZ1 LYS 83 HZ3 LYS 83 -14.981 -38.073 -8.270 640 HZ2 LYS 83 HZ1 LYS 83 -16.452 -38.329 -7.522 641 HZ3 LYS 83 HZ2 LYS 83 -15.612 -36.889 -7.454 642 H ALA 84 H ALA 84 -11.205 -38.893 -2.983 643 HA ALA 84 HA ALA 84 -13.011 -38.214 -0.707 644 HB1 ALA 84 HB3 ALA 84 -10.626 -38.527 -0.035 645 HB2 ALA 84 HB1 ALA 84 -10.153 -37.282 -1.204 646 HB3 ALA 84 HB2 ALA 84 -11.179 -36.857 0.193 647 H ARG 85 H ARG 85 -13.027 -35.648 -0.589 648 HA ARG 85 HA ARG 85 -14.217 -34.776 -3.101 649 HB2 ARG 85 HB2 ARG 85 -15.138 -34.401 -0.744 650 HB3 ARG 85 HB3 ARG 85 -13.937 -33.110 -0.573 651 HG2 ARG 85 HG2 ARG 85 -14.911 -32.031 -2.659 652 HG3 ARG 85 HG3 ARG 85 -16.095 -33.346 -2.732 653 HD2 ARG 85 HD2 ARG 85 -16.901 -32.696 -0.466 654 HD3 ARG 85 HD3 ARG 85 -15.766 -31.326 -0.475 655 HE ARG 85 HE ARG 85 -17.139 -30.959 -2.807 656 HH11 ARG 85 HH11 ARG 85 -18.271 -31.393 0.469 657 HH12 ARG 85 HH12 ARG 85 -19.815 -30.655 0.147 658 HH21 ARG 85 HH21 ARG 85 -19.134 -29.998 -3.161 659 HH22 ARG 85 HH22 ARG 85 -20.274 -29.868 -1.861 660 H VAL 86 H VAL 86 -11.878 -35.139 -3.921 661 HA VAL 86 HA VAL 86 -10.911 -32.417 -4.654 662 HB VAL 86 HB VAL 86 -8.586 -33.291 -4.846 663 HG11 VAL 86 HG11 VAL 86 -9.719 -33.407 -2.027 664 HG12 VAL 86 HG12 VAL 86 -8.027 -33.118 -2.489 665 HG13 VAL 86 HG13 VAL 86 -9.279 -31.935 -2.924 666 HG21 VAL 86 HG23 VAL 86 -9.585 -35.671 -3.209 667 HG22 VAL 86 HG21 VAL 86 -9.088 -35.727 -4.915 668 HG23 VAL 86 HG22 VAL 86 -7.906 -35.317 -3.666 669 H LEU 87 H LEU 87 -12.649 -34.769 -5.642 670 HA LEU 87 HA LEU 87 -12.388 -34.343 -8.437 671 HB2 LEU 87 HB2 LEU 87 -10.646 -36.128 -7.905 672 HB3 LEU 87 HB3 LEU 87 -11.919 -37.178 -7.336 673 HG LEU 87 HG LEU 87 -10.839 -37.523 -9.626 674 HD11 LEU 87 HD11 LEU 87 -13.847 -37.413 -9.778 675 HD12 LEU 87 HD12 LEU 87 -12.736 -38.456 -10.662 676 HD13 LEU 87 HD13 LEU 87 -12.917 -38.682 -8.915 677 HD21 LEU 87 HD23 LEU 87 -12.752 -35.341 -10.514 678 HD22 LEU 87 HD21 LEU 87 -10.987 -35.169 -10.394 679 HD23 LEU 87 HD22 LEU 87 -11.690 -36.328 -11.540 Start of MODEL 10 1 H1 MET 1 H1 MET 1 11.100 0.816 -4.780 2 H2 MET 1 H2 MET 1 10.010 1.450 -3.751 3 H3 MET 1 H3 MET 1 9.983 1.905 -5.348 4 HA MET 1 HA MET 1 8.207 0.357 -4.885 5 HB2 MET 1 HB2 MET 1 9.007 -1.592 -6.430 6 HB3 MET 1 HB3 MET 1 8.780 0.021 -7.076 7 HG2 MET 1 HG2 MET 1 10.823 -1.190 -7.878 8 HG3 MET 1 HG3 MET 1 11.086 0.438 -7.267 9 HE1 MET 1 HE3 MET 1 13.347 -1.820 -7.839 10 HE2 MET 1 HE1 MET 1 13.712 -0.150 -7.341 11 HE3 MET 1 HE2 MET 1 14.423 -1.520 -6.459 12 H SER 2 H SER 2 7.960 -2.257 -4.621 13 HA SER 2 HA SER 2 9.401 -3.068 -2.171 14 HB2 SER 2 HB2 SER 2 6.372 -2.727 -2.263 15 HB3 SER 2 HB3 SER 2 7.373 -3.099 -0.854 16 HG SER 2 HG SER 2 6.894 -0.932 -0.757 17 HA PRO 3 HA PRO 3 8.200 -7.118 -3.846 18 HB2 PRO 3 HB2 PRO 3 7.973 -8.672 -1.601 19 HB3 PRO 3 HB3 PRO 3 9.542 -8.097 -2.235 20 HG2 PRO 3 HG2 PRO 3 7.858 -6.896 -0.021 21 HG3 PRO 3 HG3 PRO 3 9.612 -7.271 0.002 22 HD2 PRO 3 HD2 PRO 3 8.686 -4.771 -0.519 23 HD3 PRO 3 HD3 PRO 3 10.114 -5.419 -1.376 24 H THR 4 H THR 4 6.424 -8.780 -3.677 25 HA THR 4 HA THR 4 3.807 -7.495 -3.037 26 HB THR 4 HB THR 4 2.766 -9.332 -4.298 27 HG1 THR 4 HG1 THR 4 4.591 -10.751 -4.080 28 HG21 THR 4 HG23 THR 4 3.262 -7.174 -5.393 29 HG22 THR 4 HG21 THR 4 4.868 -7.776 -5.859 30 HG23 THR 4 HG22 THR 4 3.408 -8.537 -6.524 31 H SER 5 H SER 5 4.575 -7.711 -0.802 32 HA SER 5 HA SER 5 4.685 -10.042 0.704 33 HB2 SER 5 HB2 SER 5 3.564 -7.310 1.420 34 HB3 SER 5 HB3 SER 5 4.045 -8.553 2.594 35 HG SER 5 HG SER 5 5.691 -7.005 2.161 36 H ILE 6 H ILE 6 3.275 -10.613 2.453 37 HA ILE 6 HA ILE 6 0.351 -10.647 1.869 38 HB ILE 6 HB ILE 6 0.122 -12.906 2.175 39 HG12 ILE 6 HG12 ILE 6 1.953 -14.344 3.351 40 HG13 ILE 6 HG13 ILE 6 2.476 -12.883 4.114 41 HG21 ILE 6 HG21 ILE 6 3.080 -12.885 1.518 42 HG22 ILE 6 HG22 ILE 6 1.893 -14.157 1.101 43 HG23 ILE 6 HG23 ILE 6 1.783 -12.564 0.340 44 HD11 ILE 6 HD13 ILE 6 0.451 -12.818 5.468 45 HD12 ILE 6 HD11 ILE 6 -0.423 -13.881 4.348 46 HD13 ILE 6 HD12 ILE 6 0.871 -14.504 5.384 47 H LEU 7 H LEU 7 2.796 -10.053 4.055 48 HA LEU 7 HA LEU 7 1.586 -10.829 6.506 49 HB2 LEU 7 HB2 LEU 7 3.829 -8.822 5.985 50 HB3 LEU 7 HB3 LEU 7 3.524 -9.575 7.546 51 HG LEU 7 HG LEU 7 4.334 -11.101 5.016 52 HD11 LEU 7 HD11 LEU 7 5.994 -10.337 7.450 53 HD12 LEU 7 HD12 LEU 7 6.520 -11.343 6.074 54 HD13 LEU 7 HD13 LEU 7 6.134 -9.638 5.822 55 HD21 LEU 7 HD23 LEU 7 4.161 -11.990 7.928 56 HD22 LEU 7 HD21 LEU 7 3.082 -12.530 6.578 57 HD23 LEU 7 HD22 LEU 7 4.792 -12.936 6.575 58 H ASP 8 H ASP 8 0.401 -8.745 4.771 59 HA ASP 8 HA ASP 8 -0.707 -6.658 6.534 60 HB2 ASP 8 HB2 ASP 8 -0.644 -5.557 4.110 61 HB3 ASP 8 HB3 ASP 8 0.833 -5.685 5.087 62 H ILE 9 H ILE 9 -1.325 -9.133 3.999 63 HA ILE 9 HA ILE 9 -4.223 -8.541 3.958 64 HB ILE 9 HB ILE 9 -4.519 -10.350 2.468 65 HG12 ILE 9 HG12 ILE 9 -1.696 -11.162 2.078 66 HG13 ILE 9 HG13 ILE 9 -2.373 -11.668 3.631 67 HG21 ILE 9 HG21 ILE 9 -2.064 -8.801 1.593 68 HG22 ILE 9 HG22 ILE 9 -3.216 -9.634 0.537 69 HG23 ILE 9 HG23 ILE 9 -3.742 -8.241 1.510 70 HD11 ILE 9 HD13 ILE 9 -4.244 -12.728 2.552 71 HD12 ILE 9 HD11 ILE 9 -3.631 -12.251 0.942 72 HD13 ILE 9 HD12 ILE 9 -2.703 -13.385 1.960 73 H ARG 10 H ARG 10 -2.886 -9.174 6.364 74 HA ARG 10 HA ARG 10 -2.993 -11.684 7.479 75 HB2 ARG 10 HB2 ARG 10 -3.435 -8.901 8.570 76 HB3 ARG 10 HB3 ARG 10 -3.754 -10.258 9.643 77 HG2 ARG 10 HG2 ARG 10 -1.112 -9.865 8.181 78 HG3 ARG 10 HG3 ARG 10 -1.504 -9.330 9.820 79 HD2 ARG 10 HD2 ARG 10 -2.145 -11.780 10.304 80 HD3 ARG 10 HD3 ARG 10 -1.265 -12.172 8.825 81 HE ARG 10 HE ARG 10 -0.176 -11.063 11.372 82 HH11 ARG 10 HH11 ARG 10 0.617 -11.989 8.117 83 HH12 ARG 10 HH12 ARG 10 2.316 -12.149 8.452 84 HH21 ARG 10 HH21 ARG 10 2.016 -11.180 11.740 85 HH22 ARG 10 HH22 ARG 10 3.068 -11.814 10.511 86 H GLN 11 H GLN 11 -4.333 -13.078 7.700 87 HA GLN 11 HA GLN 11 -7.249 -12.481 8.151 88 HB2 GLN 11 HB2 GLN 11 -6.633 -13.927 6.211 89 HB3 GLN 11 HB3 GLN 11 -6.016 -15.145 7.353 90 HG2 GLN 11 HG2 GLN 11 -8.205 -15.430 8.348 91 HG3 GLN 11 HG3 GLN 11 -8.826 -14.007 7.517 92 HE21 GLN 11 HE22 GLN 11 -8.575 -14.264 4.887 93 HE22 GLN 11 HE21 GLN 11 -9.005 -15.914 4.351 94 H GLY 12 H GLY 12 -4.682 -14.719 9.353 95 HA2 GLY 12 HA2 GLY 12 -4.266 -14.389 11.853 96 HA3 GLY 12 HA3 GLY 12 -6.009 -14.522 12.065 97 HA PRO 13 HA PRO 13 -4.487 -18.809 10.327 98 HB2 PRO 13 HB2 PRO 13 -1.805 -19.381 10.312 99 HB3 PRO 13 HB3 PRO 13 -2.615 -18.406 9.072 100 HG2 PRO 13 HG2 PRO 13 -1.139 -17.409 11.539 101 HG3 PRO 13 HG3 PRO 13 -0.923 -16.874 9.836 102 HD2 PRO 13 HD2 PRO 13 -2.465 -15.543 11.607 103 HD3 PRO 13 HD3 PRO 13 -2.890 -15.643 9.863 104 H LYS 14 H LYS 14 -5.053 -18.037 12.998 105 HA LYS 14 HA LYS 14 -3.904 -19.996 14.904 106 HB2 LYS 14 HB2 LYS 14 -6.589 -18.556 14.884 107 HB3 LYS 14 HB3 LYS 14 -5.916 -19.516 16.211 108 HG2 LYS 14 HG2 LYS 14 -4.068 -17.912 16.484 109 HG3 LYS 14 HG3 LYS 14 -4.727 -16.911 15.168 110 HD2 LYS 14 HD2 LYS 14 -6.817 -16.576 16.409 111 HD3 LYS 14 HD3 LYS 14 -6.266 -17.674 17.691 112 HE2 LYS 14 HE2 LYS 14 -4.385 -16.145 18.205 113 HE3 LYS 14 HE3 LYS 14 -4.935 -15.030 16.946 114 HZ1 LYS 14 HZ3 LYS 14 -6.989 -14.720 18.177 115 HZ2 LYS 14 HZ1 LYS 14 -6.549 -15.832 19.301 116 HZ3 LYS 14 HZ2 LYS 14 -5.728 -14.409 19.186 117 H GLU 15 H GLU 15 -6.189 -20.139 12.340 118 HA GLU 15 HA GLU 15 -6.978 -22.927 12.726 119 HB2 GLU 15 HB2 GLU 15 -8.560 -21.943 14.124 120 HB3 GLU 15 HB3 GLU 15 -8.690 -20.471 13.191 121 HG2 GLU 15 HG2 GLU 15 -9.563 -22.929 11.775 122 HG3 GLU 15 HG3 GLU 15 -10.506 -22.523 13.208 123 HA PRO 16 HA PRO 16 -8.778 -21.462 8.611 124 HB2 PRO 16 HB2 PRO 16 -7.988 -19.115 7.382 125 HB3 PRO 16 HB3 PRO 16 -9.441 -19.304 8.414 126 HG2 PRO 16 HG2 PRO 16 -6.703 -18.270 9.190 127 HG3 PRO 16 HG3 PRO 16 -8.310 -17.589 9.605 128 HD2 PRO 16 HD2 PRO 16 -6.976 -19.116 11.357 129 HD3 PRO 16 HD3 PRO 16 -8.739 -19.298 11.169 130 H PHE 17 H PHE 17 -8.055 -22.454 6.906 131 HA PHE 17 HA PHE 17 -5.135 -22.457 6.294 132 HB2 PHE 17 HB2 PHE 17 -6.589 -24.658 7.376 133 HB3 PHE 17 HB3 PHE 17 -6.233 -25.069 5.718 134 HD1 PHE 17 HD1 PHE 17 -4.366 -23.211 8.429 135 HD2 PHE 17 HD2 PHE 17 -4.360 -26.563 5.680 136 HE1 PHE 17 HE1 PHE 17 -2.010 -23.735 9.040 137 HE2 PHE 17 HE2 PHE 17 -2.007 -27.053 6.314 138 HZ PHE 17 HZ PHE 17 -0.847 -25.619 7.977 139 H ARG 18 H ARG 18 -8.048 -23.982 4.655 140 HA ARG 18 HA ARG 18 -6.971 -23.399 2.057 141 HB2 ARG 18 HB2 ARG 18 -8.999 -24.195 1.181 142 HB3 ARG 18 HB3 ARG 18 -8.543 -25.184 2.552 143 HG2 ARG 18 HG2 ARG 18 -10.862 -24.983 2.682 144 HG3 ARG 18 HG3 ARG 18 -10.258 -23.924 3.953 145 HD2 ARG 18 HD2 ARG 18 -11.174 -22.086 2.986 146 HD3 ARG 18 HD3 ARG 18 -10.499 -22.494 1.426 147 HE ARG 18 HE ARG 18 -12.835 -24.110 2.187 148 HH11 ARG 18 HH11 ARG 18 -12.023 -21.011 0.825 149 HH12 ARG 18 HH12 ARG 18 -13.582 -20.823 0.061 150 HH21 ARG 18 HH21 ARG 18 -14.775 -23.871 1.103 151 HH22 ARG 18 HH22 ARG 18 -15.099 -22.420 0.210 152 H ASP 19 H ASP 19 -9.000 -21.743 4.181 153 HA ASP 19 HA ASP 19 -10.245 -19.712 2.706 154 HB2 ASP 19 HB2 ASP 19 -9.572 -19.344 5.604 155 HB3 ASP 19 HB3 ASP 19 -11.112 -19.135 4.781 156 H TYR 20 H TYR 20 -7.078 -19.955 3.747 157 HA TYR 20 HA TYR 20 -6.426 -17.044 3.396 158 HB2 TYR 20 HB2 TYR 20 -6.619 -17.724 5.781 159 HB3 TYR 20 HB3 TYR 20 -5.418 -18.963 5.519 160 HD1 TYR 20 HD2 TYR 20 -5.349 -15.367 4.283 161 HD2 TYR 20 HD1 TYR 20 -3.730 -18.332 6.967 162 HE1 TYR 20 HE2 TYR 20 -3.674 -13.717 5.080 163 HE2 TYR 20 HE1 TYR 20 -1.995 -16.701 7.699 164 HH TYR 20 HH TYR 20 -1.219 -14.643 7.500 165 H VAL 21 H VAL 21 -5.206 -20.391 3.268 166 HA VAL 21 HA VAL 21 -2.607 -19.899 2.314 167 HB VAL 21 HB VAL 21 -3.600 -22.097 3.145 168 HG11 VAL 21 HG11 VAL 21 -4.336 -22.714 0.288 169 HG12 VAL 21 HG12 VAL 21 -4.637 -23.639 1.789 170 HG13 VAL 21 HG13 VAL 21 -5.503 -22.128 1.457 171 HG21 VAL 21 HG23 VAL 21 -2.056 -22.247 0.552 172 HG22 VAL 21 HG21 VAL 21 -1.339 -21.818 2.111 173 HG23 VAL 21 HG22 VAL 21 -2.130 -23.385 1.920 174 H ASP 22 H ASP 22 -5.675 -20.318 0.514 175 HA ASP 22 HA ASP 22 -4.672 -20.224 -2.086 176 HB2 ASP 22 HB2 ASP 22 -7.168 -19.483 -0.590 177 HB3 ASP 22 HB3 ASP 22 -7.008 -18.875 -2.195 178 H ARG 23 H ARG 23 -5.428 -17.721 0.143 179 HA ARG 23 HA ARG 23 -4.927 -15.463 -1.650 180 HB2 ARG 23 HB2 ARG 23 -5.057 -14.985 1.308 181 HB3 ARG 23 HB3 ARG 23 -5.861 -14.151 -0.021 182 HG2 ARG 23 HG2 ARG 23 -6.651 -16.772 1.282 183 HG3 ARG 23 HG3 ARG 23 -7.463 -15.237 1.496 184 HD2 ARG 23 HD2 ARG 23 -7.205 -16.312 -1.309 185 HD3 ARG 23 HD3 ARG 23 -8.259 -17.178 -0.180 186 HE ARG 23 HE ARG 23 -8.848 -14.421 -0.017 187 HH11 ARG 23 HH11 ARG 23 -9.165 -17.069 -2.281 188 HH12 ARG 23 HH12 ARG 23 -10.560 -16.413 -3.074 189 HH21 ARG 23 HH21 ARG 23 -10.705 -13.580 -1.108 190 HH22 ARG 23 HH22 ARG 23 -11.477 -14.553 -2.325 191 H PHE 24 H PHE 24 -3.114 -17.182 0.841 192 HA PHE 24 HA PHE 24 -0.848 -15.452 0.986 193 HB2 PHE 24 HB2 PHE 24 -1.466 -17.186 2.642 194 HB3 PHE 24 HB3 PHE 24 -1.195 -18.451 1.456 195 HD1 PHE 24 HD2 PHE 24 1.175 -18.865 0.544 196 HD2 PHE 24 HD1 PHE 24 0.325 -16.401 3.966 197 HE1 PHE 24 HE2 PHE 24 3.577 -18.653 0.965 198 HE2 PHE 24 HE1 PHE 24 2.733 -16.350 4.494 199 HZ PHE 24 HZ PHE 24 4.398 -17.337 2.852 200 H TYR 25 H TYR 25 -1.068 -18.656 -0.708 201 HA TYR 25 HA TYR 25 1.524 -18.176 -1.912 202 HB2 TYR 25 HB2 TYR 25 -0.439 -20.356 -1.866 203 HB3 TYR 25 HB3 TYR 25 0.586 -20.320 -3.280 204 HD1 TYR 25 HD1 TYR 25 3.195 -20.485 -2.880 205 HD2 TYR 25 HD2 TYR 25 0.296 -21.354 0.184 206 HE1 TYR 25 HE1 TYR 25 4.683 -22.319 -1.952 207 HE2 TYR 25 HE2 TYR 25 1.817 -23.050 1.106 208 HH TYR 25 HH TYR 25 3.889 -24.189 1.001 209 H LYS 26 H LYS 26 -1.837 -17.789 -3.192 210 HA LYS 26 HA LYS 26 -1.265 -17.186 -5.866 211 HB2 LYS 26 HB2 LYS 26 -3.508 -17.194 -5.161 212 HB3 LYS 26 HB3 LYS 26 -3.199 -16.046 -3.855 213 HG2 LYS 26 HG2 LYS 26 -2.947 -15.080 -6.690 214 HG3 LYS 26 HG3 LYS 26 -4.537 -15.299 -5.970 215 HD2 LYS 26 HD2 LYS 26 -4.362 -13.510 -4.584 216 HD3 LYS 26 HD3 LYS 26 -2.736 -13.918 -4.104 217 HE2 LYS 26 HE2 LYS 26 -2.526 -11.825 -5.121 218 HE3 LYS 26 HE3 LYS 26 -1.869 -12.981 -6.276 219 HZ1 LYS 26 HZ3 LYS 26 -4.035 -12.870 -7.441 220 HZ2 LYS 26 HZ1 LYS 26 -4.558 -11.737 -6.361 221 HZ3 LYS 26 HZ2 LYS 26 -3.308 -11.394 -7.356 222 H THR 27 H THR 27 -0.412 -15.147 -3.063 223 HA THR 27 HA THR 27 0.482 -12.957 -4.836 224 HB THR 27 HB THR 27 -0.308 -13.276 -1.915 225 HG1 THR 27 HG1 THR 27 -1.634 -11.572 -2.454 226 HG21 THR 27 HG23 THR 27 1.622 -11.911 -1.826 227 HG22 THR 27 HG21 THR 27 1.093 -10.925 -3.208 228 HG23 THR 27 HG22 THR 27 0.207 -10.872 -1.654 229 H LEU 28 H LEU 28 1.601 -14.762 -1.930 230 HA LEU 28 HA LEU 28 4.173 -13.986 -1.654 231 HB2 LEU 28 HB2 LEU 28 3.091 -15.560 -0.187 232 HB3 LEU 28 HB3 LEU 28 3.124 -16.796 -1.420 233 HG LEU 28 HG LEU 28 4.789 -16.800 0.495 234 HD11 LEU 28 HD11 LEU 28 5.904 -17.178 -2.293 235 HD12 LEU 28 HD12 LEU 28 6.499 -17.909 -0.799 236 HD13 LEU 28 HD13 LEU 28 4.891 -18.331 -1.414 237 HD21 LEU 28 HD23 LEU 28 6.534 -14.968 -1.086 238 HD22 LEU 28 HD21 LEU 28 5.508 -14.419 0.257 239 HD23 LEU 28 HD22 LEU 28 6.748 -15.637 0.539 240 H ARG 29 H ARG 29 3.158 -16.308 -4.072 241 HA ARG 29 HA ARG 29 5.546 -17.323 -4.995 242 HB2 ARG 29 HB2 ARG 29 4.235 -18.021 -6.996 243 HB3 ARG 29 HB3 ARG 29 3.405 -18.263 -5.473 244 HG2 ARG 29 HG2 ARG 29 1.786 -17.411 -6.942 245 HG3 ARG 29 HG3 ARG 29 2.175 -16.082 -5.844 246 HD2 ARG 29 HD2 ARG 29 3.404 -14.903 -7.502 247 HD3 ARG 29 HD3 ARG 29 3.416 -16.317 -8.584 248 HE ARG 29 HE ARG 29 0.776 -15.231 -7.806 249 HH11 ARG 29 HH11 ARG 29 3.304 -14.951 -10.207 250 HH12 ARG 29 HH12 ARG 29 2.211 -14.625 -11.524 251 HH21 ARG 29 HH21 ARG 29 -0.613 -15.014 -9.560 252 HH22 ARG 29 HH22 ARG 29 0.004 -14.732 -11.163 253 H ALA 30 H ALA 30 5.585 -14.142 -5.176 254 HA ALA 30 HA ALA 30 6.928 -13.918 -7.832 255 HB1 ALA 30 HB3 ALA 30 5.594 -11.985 -6.968 256 HB2 ALA 30 HB1 ALA 30 6.621 -11.947 -5.514 257 HB3 ALA 30 HB2 ALA 30 7.324 -11.592 -7.100 258 H GLU 31 H GLU 31 7.523 -14.382 -4.398 259 HA GLU 31 HA GLU 31 10.377 -15.003 -4.860 260 HB2 GLU 31 HB2 GLU 31 10.926 -13.855 -2.724 261 HB3 GLU 31 HB3 GLU 31 10.431 -12.804 -4.044 262 HG2 GLU 31 HG2 GLU 31 8.017 -13.091 -2.752 263 HG3 GLU 31 HG3 GLU 31 9.118 -13.287 -1.409 264 H GLN 32 H GLN 32 11.181 -16.237 -2.733 265 HA GLN 32 HA GLN 32 11.255 -18.438 -2.213 266 HB2 GLN 32 HB2 GLN 32 8.975 -18.800 -0.611 267 HB3 GLN 32 HB3 GLN 32 10.620 -18.449 -0.147 268 HG2 GLN 32 HG2 GLN 32 8.612 -16.239 -0.748 269 HG3 GLN 32 HG3 GLN 32 8.675 -17.067 0.788 270 HE21 GLN 32 HE22 GLN 32 9.399 -15.399 2.177 271 HE22 GLN 32 HE21 GLN 32 10.928 -14.608 1.857 272 H ALA 33 H ALA 33 9.212 -17.921 -4.556 273 HA ALA 33 HA ALA 33 7.197 -19.672 -4.627 274 HB1 ALA 33 HB3 ALA 33 7.661 -17.786 -6.149 275 HB2 ALA 33 HB1 ALA 33 8.871 -18.760 -7.001 276 HB3 ALA 33 HB2 ALA 33 7.160 -19.245 -7.030 277 H SER 34 H SER 34 7.802 -21.760 -3.688 278 HA SER 34 HA SER 34 8.168 -23.673 -5.887 279 HB2 SER 34 HB2 SER 34 10.492 -23.114 -5.055 280 HB3 SER 34 HB3 SER 34 10.042 -23.838 -3.499 281 HG SER 34 HG SER 34 11.084 -25.206 -5.210 282 H GLN 35 H GLN 35 7.956 -25.971 -5.140 283 HA GLN 35 HA GLN 35 5.948 -26.425 -3.036 284 HB2 GLN 35 HB2 GLN 35 7.065 -27.766 -5.558 285 HB3 GLN 35 HB3 GLN 35 6.254 -28.715 -4.363 286 HG2 GLN 35 HG2 GLN 35 4.212 -27.302 -4.565 287 HG3 GLN 35 HG3 GLN 35 5.024 -26.349 -5.818 288 HE21 GLN 35 HE22 GLN 35 5.462 -27.400 -7.914 289 HE22 GLN 35 HE21 GLN 35 4.648 -28.926 -8.280 290 H GLU 36 H GLU 36 8.672 -25.656 -2.301 291 HA GLU 36 HA GLU 36 10.293 -27.925 -1.512 292 HB2 GLU 36 HB2 GLU 36 11.409 -25.881 -1.522 293 HB3 GLU 36 HB3 GLU 36 10.109 -25.026 -0.662 294 HG2 GLU 36 HG2 GLU 36 10.584 -26.028 1.376 295 HG3 GLU 36 HG3 GLU 36 11.454 -27.381 0.634 296 H VAL 37 H VAL 37 9.745 -29.493 -0.105 297 HA VAL 37 HA VAL 37 7.382 -29.465 1.391 298 HB VAL 37 HB VAL 37 8.850 -31.404 0.695 299 HG11 VAL 37 HG11 VAL 37 10.189 -31.011 3.383 300 HG12 VAL 37 HG12 VAL 37 10.446 -32.334 2.228 301 HG13 VAL 37 HG13 VAL 37 10.939 -30.684 1.801 302 HG21 VAL 37 HG23 VAL 37 7.638 -31.423 3.483 303 HG22 VAL 37 HG21 VAL 37 6.782 -31.700 1.957 304 HG23 VAL 37 HG22 VAL 37 8.004 -32.868 2.509 305 H LYS 38 H LYS 38 10.433 -28.269 2.262 306 HA LYS 38 HA LYS 38 10.058 -27.906 5.144 307 HB2 LYS 38 HB2 LYS 38 12.028 -26.630 3.221 308 HB3 LYS 38 HB3 LYS 38 12.171 -26.598 4.969 309 HG2 LYS 38 HG2 LYS 38 12.815 -28.823 5.121 310 HG3 LYS 38 HG3 LYS 38 12.206 -29.248 3.522 311 HD2 LYS 38 HD2 LYS 38 14.693 -29.116 3.700 312 HD3 LYS 38 HD3 LYS 38 13.990 -28.187 2.389 313 HE2 LYS 38 HE2 LYS 38 14.566 -26.761 4.995 314 HE3 LYS 38 HE3 LYS 38 15.926 -27.251 3.976 315 HZ1 LYS 38 HZ3 LYS 38 14.724 -26.051 2.092 316 HZ2 LYS 38 HZ1 LYS 38 13.722 -25.429 3.102 317 HZ3 LYS 38 HZ2 LYS 38 15.314 -25.054 3.268 318 H ASN 39 H ASN 39 7.962 -26.601 3.307 319 HA ASN 39 HA ASN 39 8.504 -23.892 2.952 320 HB2 ASN 39 HB2 ASN 39 6.329 -23.602 2.238 321 HB3 ASN 39 HB3 ASN 39 6.934 -25.150 1.708 322 HD21 ASN 39 HD22 ASN 39 4.446 -23.601 3.294 323 HD22 ASN 39 HD21 ASN 39 3.496 -25.022 3.517 324 H ALA 40 H ALA 40 7.744 -25.224 6.054 325 HA ALA 40 HA ALA 40 7.043 -22.875 7.469 326 HB1 ALA 40 HB3 ALA 40 6.984 -25.150 8.415 327 HB2 ALA 40 HB1 ALA 40 8.759 -25.254 8.321 328 HB3 ALA 40 HB2 ALA 40 8.000 -24.083 9.407 329 H MET 41 H MET 41 10.071 -23.542 5.914 330 HA MET 41 HA MET 41 11.870 -21.807 7.301 331 HB2 MET 41 HB2 MET 41 11.593 -22.700 4.400 332 HB3 MET 41 HB3 MET 41 12.919 -21.685 4.917 333 HG2 MET 41 HG2 MET 41 12.312 -24.443 6.022 334 HG3 MET 41 HG3 MET 41 13.520 -24.050 4.810 335 HE1 MET 41 HE3 MET 41 15.530 -22.132 5.447 336 HE2 MET 41 HE1 MET 41 14.491 -21.114 6.478 337 HE3 MET 41 HE2 MET 41 15.985 -21.803 7.135 338 H THR 42 H THR 42 8.985 -20.766 6.124 339 HA THR 42 HA THR 42 9.833 -18.014 5.460 340 HB THR 42 HB THR 42 8.121 -18.107 3.459 341 HG1 THR 42 HG1 THR 42 8.355 -20.779 4.057 342 HG21 THR 42 HG23 THR 42 10.513 -17.736 3.083 343 HG22 THR 42 HG21 THR 42 10.857 -19.473 3.276 344 HG23 THR 42 HG22 THR 42 9.892 -18.912 1.906 345 H GLU 43 H GLU 43 7.746 -16.692 5.020 346 HA GLU 43 HA GLU 43 5.908 -16.919 7.219 347 HB2 GLU 43 HB2 GLU 43 4.515 -15.329 5.769 348 HB3 GLU 43 HB3 GLU 43 6.078 -14.793 6.366 349 HG2 GLU 43 HG2 GLU 43 5.829 -16.016 3.622 350 HG3 GLU 43 HG3 GLU 43 5.358 -14.320 3.871 351 H THR 44 H THR 44 5.969 -18.737 4.383 352 HA THR 44 HA THR 44 3.382 -19.509 3.833 353 HB THR 44 HB THR 44 5.745 -21.366 3.666 354 HG1 THR 44 HG1 THR 44 6.738 -19.940 2.594 355 HG21 THR 44 HG23 THR 44 3.547 -22.110 2.737 356 HG22 THR 44 HG21 THR 44 3.527 -20.681 1.719 357 HG23 THR 44 HG22 THR 44 4.824 -21.872 1.510 358 H LEU 45 H LEU 45 2.841 -19.434 6.255 359 HA LEU 45 HA LEU 45 3.022 -21.683 7.900 360 HB2 LEU 45 HB2 LEU 45 0.439 -20.263 8.106 361 HB3 LEU 45 HB3 LEU 45 1.621 -20.667 9.318 362 HG LEU 45 HG LEU 45 2.889 -18.587 8.227 363 HD11 LEU 45 HD11 LEU 45 -0.101 -18.050 7.628 364 HD12 LEU 45 HD12 LEU 45 1.243 -16.896 7.407 365 HD13 LEU 45 HD13 LEU 45 1.112 -18.313 6.380 366 HD21 LEU 45 HD23 LEU 45 0.588 -18.603 10.160 367 HD22 LEU 45 HD21 LEU 45 2.319 -18.621 10.487 368 HD23 LEU 45 HD22 LEU 45 1.590 -17.144 9.844 369 H LEU 46 H LEU 46 1.812 -22.375 5.036 370 HA LEU 46 HA LEU 46 -0.071 -24.442 5.713 371 HB2 LEU 46 HB2 LEU 46 -1.980 -23.248 4.388 372 HB3 LEU 46 HB3 LEU 46 -1.771 -23.024 6.075 373 HG LEU 46 HG LEU 46 -2.238 -21.052 4.284 374 HD11 LEU 46 HD11 LEU 46 -1.257 -20.957 7.070 375 HD12 LEU 46 HD12 LEU 46 -1.713 -19.486 6.170 376 HD13 LEU 46 HD13 LEU 46 -2.883 -20.800 6.431 377 HD21 LEU 46 HD23 LEU 46 0.520 -20.244 5.031 378 HD22 LEU 46 HD21 LEU 46 0.207 -21.071 3.492 379 HD23 LEU 46 HD22 LEU 46 -0.607 -19.543 3.884 380 H VAL 47 H VAL 47 -1.283 -25.090 3.350 381 HA VAL 47 HA VAL 47 0.604 -24.661 1.107 382 HB VAL 47 HB VAL 47 -0.169 -27.434 2.018 383 HG11 VAL 47 HG11 VAL 47 1.527 -26.372 -0.284 384 HG12 VAL 47 HG12 VAL 47 1.482 -28.085 0.220 385 HG13 VAL 47 HG13 VAL 47 0.024 -27.312 -0.396 386 HG21 VAL 47 HG23 VAL 47 2.565 -26.125 2.004 387 HG22 VAL 47 HG21 VAL 47 1.602 -26.506 3.465 388 HG23 VAL 47 HG22 VAL 47 2.187 -27.803 2.440 389 H GLN 48 H GLN 48 -0.536 -24.046 -0.677 390 HA GLN 48 HA GLN 48 -3.304 -24.352 -1.079 391 HB2 GLN 48 HB2 GLN 48 -1.016 -23.989 -3.054 392 HB3 GLN 48 HB3 GLN 48 -2.718 -24.144 -3.556 393 HG2 GLN 48 HG2 GLN 48 -3.327 -22.292 -2.016 394 HG3 GLN 48 HG3 GLN 48 -1.626 -22.114 -1.637 395 HE21 GLN 48 HE22 GLN 48 -1.844 -22.849 -5.017 396 HE22 GLN 48 HE21 GLN 48 -1.954 -21.173 -5.538 397 H ASN 49 H ASN 49 -0.664 -26.293 -2.504 398 HA ASN 49 HA ASN 49 -2.309 -28.202 -3.768 399 HB2 ASN 49 HB2 ASN 49 0.179 -27.520 -4.160 400 HB3 ASN 49 HB3 ASN 49 0.563 -28.681 -2.880 401 HD21 ASN 49 HD22 ASN 49 1.428 -30.436 -4.031 402 HD22 ASN 49 HD21 ASN 49 0.586 -31.148 -5.399 403 H ALA 50 H ALA 50 -2.178 -27.917 -0.450 404 HA ALA 50 HA ALA 50 -2.053 -30.729 0.282 405 HB1 ALA 50 HB3 ALA 50 -1.640 -28.989 1.949 406 HB2 ALA 50 HB1 ALA 50 -3.274 -28.333 1.733 407 HB3 ALA 50 HB2 ALA 50 -3.035 -29.951 2.418 408 H ASN 51 H ASN 51 -3.909 -31.733 1.292 409 HA ASN 51 HA ASN 51 -6.160 -31.848 -0.605 410 HB2 ASN 51 HB2 ASN 51 -5.994 -34.362 0.320 411 HB3 ASN 51 HB3 ASN 51 -5.021 -33.777 -1.000 412 HD21 ASN 51 HD22 ASN 51 -4.807 -35.427 1.947 413 HD22 ASN 51 HD21 ASN 51 -3.033 -35.419 1.863 414 HA PRO 52 HA PRO 52 -9.163 -30.810 2.118 415 HB2 PRO 52 HB2 PRO 52 -11.184 -32.722 2.041 416 HB3 PRO 52 HB3 PRO 52 -10.840 -31.506 0.775 417 HG2 PRO 52 HG2 PRO 52 -9.917 -34.387 0.893 418 HG3 PRO 52 HG3 PRO 52 -10.628 -33.504 -0.498 419 HD2 PRO 52 HD2 PRO 52 -7.974 -33.840 -0.293 420 HD3 PRO 52 HD3 PRO 52 -8.624 -32.271 -0.844 421 H ASP 53 H ASP 53 -8.099 -34.092 2.823 422 HA ASP 53 HA ASP 53 -9.092 -34.426 5.468 423 HB2 ASP 53 HB2 ASP 53 -7.170 -36.067 5.587 424 HB3 ASP 53 HB3 ASP 53 -8.296 -36.300 4.248 425 H CYS 54 H CYS 54 -5.574 -33.733 4.799 426 HA CYS 54 HA CYS 54 -5.086 -32.737 7.328 427 HB2 CYS 54 HB2 CYS 54 -3.575 -33.052 5.040 428 HB3 CYS 54 HB3 CYS 54 -3.489 -31.287 5.358 429 HG CYS 54 HG CYS 54 -1.598 -31.664 6.873 430 H LYS 55 H LYS 55 -6.274 -30.833 4.560 431 HA LYS 55 HA LYS 55 -6.202 -28.217 5.792 432 HB2 LYS 55 HB2 LYS 55 -7.949 -29.619 3.772 433 HB3 LYS 55 HB3 LYS 55 -8.319 -27.967 4.260 434 HG2 LYS 55 HG2 LYS 55 -6.387 -27.047 3.307 435 HG3 LYS 55 HG3 LYS 55 -5.499 -28.574 3.315 436 HD2 LYS 55 HD2 LYS 55 -6.317 -29.277 1.333 437 HD3 LYS 55 HD3 LYS 55 -7.933 -28.636 1.631 438 HE2 LYS 55 HE2 LYS 55 -7.264 -27.373 -0.163 439 HE3 LYS 55 HE3 LYS 55 -6.931 -26.281 1.190 440 HZ1 LYS 55 HZ3 LYS 55 -4.548 -26.932 0.973 441 HZ2 LYS 55 HZ1 LYS 55 -4.964 -28.020 -0.192 442 HZ3 LYS 55 HZ2 LYS 55 -5.108 -26.468 -0.507 443 H THR 56 H THR 56 -8.832 -30.691 5.924 444 HA THR 56 HA THR 56 -10.433 -29.115 7.721 445 HB THR 56 HB THR 56 -10.522 -32.113 7.238 446 HG1 THR 56 HG1 THR 56 -10.801 -31.244 5.334 447 HG21 THR 56 HG23 THR 56 -11.964 -31.522 9.121 448 HG22 THR 56 HG21 THR 56 -12.637 -30.145 8.218 449 HG23 THR 56 HG22 THR 56 -12.967 -31.813 7.695 450 H ILE 57 H ILE 57 -7.638 -31.014 8.186 451 HA ILE 57 HA ILE 57 -8.119 -31.546 11.068 452 HB ILE 57 HB ILE 57 -5.935 -32.157 9.120 453 HG12 ILE 57 HG12 ILE 57 -7.371 -34.015 11.040 454 HG13 ILE 57 HG13 ILE 57 -8.134 -33.496 9.535 455 HG21 ILE 57 HG21 ILE 57 -5.600 -32.539 12.101 456 HG22 ILE 57 HG22 ILE 57 -4.580 -33.269 10.834 457 HG23 ILE 57 HG23 ILE 57 -4.584 -31.540 11.026 458 HD11 ILE 57 HD13 ILE 57 -6.230 -34.322 8.239 459 HD12 ILE 57 HD11 ILE 57 -5.485 -34.958 9.719 460 HD13 ILE 57 HD12 ILE 57 -7.046 -35.605 9.153 461 H LEU 58 H LEU 58 -5.453 -29.619 9.401 462 HA LEU 58 HA LEU 58 -4.786 -28.415 11.873 463 HB2 LEU 58 HB2 LEU 58 -4.322 -27.210 9.110 464 HB3 LEU 58 HB3 LEU 58 -3.596 -26.705 10.630 465 HG LEU 58 HG LEU 58 -2.898 -29.278 10.777 466 HD11 LEU 58 HD11 LEU 58 -3.489 -28.853 7.887 467 HD12 LEU 58 HD12 LEU 58 -2.098 -29.900 8.363 468 HD13 LEU 58 HD13 LEU 58 -3.712 -30.256 8.946 469 HD21 LEU 58 HD23 LEU 58 -1.622 -26.833 9.718 470 HD22 LEU 58 HD21 LEU 58 -1.059 -28.001 10.895 471 HD23 LEU 58 HD22 LEU 58 -0.849 -28.321 9.147 472 H LYS 59 H LYS 59 -7.304 -27.636 9.671 473 HA LYS 59 HA LYS 59 -8.089 -25.100 10.633 474 HB2 LYS 59 HB2 LYS 59 -9.715 -27.481 9.846 475 HB3 LYS 59 HB3 LYS 59 -10.536 -26.020 10.413 476 HG2 LYS 59 HG2 LYS 59 -8.398 -25.808 8.295 477 HG3 LYS 59 HG3 LYS 59 -10.025 -26.284 7.829 478 HD2 LYS 59 HD2 LYS 59 -9.396 -23.728 9.376 479 HD3 LYS 59 HD3 LYS 59 -9.326 -23.833 7.618 480 HE2 LYS 59 HE2 LYS 59 -11.741 -24.578 7.638 481 HE3 LYS 59 HE3 LYS 59 -11.765 -24.202 9.383 482 HZ1 LYS 59 HZ3 LYS 59 -11.189 -21.942 8.883 483 HZ2 LYS 59 HZ1 LYS 59 -11.023 -22.256 7.264 484 HZ3 LYS 59 HZ2 LYS 59 -12.502 -22.300 7.984 485 H ALA 60 H ALA 60 -8.157 -28.031 12.425 486 HA ALA 60 HA ALA 60 -8.730 -26.483 14.921 487 HB1 ALA 60 HB3 ALA 60 -10.599 -27.987 14.335 488 HB2 ALA 60 HB1 ALA 60 -9.481 -29.372 14.307 489 HB3 ALA 60 HB2 ALA 60 -9.794 -28.505 15.828 490 H LEU 61 H LEU 61 -6.197 -27.698 13.323 491 HA LEU 61 HA LEU 61 -4.692 -28.482 15.745 492 HB2 LEU 61 HB2 LEU 61 -5.704 -30.280 13.895 493 HB3 LEU 61 HB3 LEU 61 -4.103 -30.056 13.286 494 HG LEU 61 HG LEU 61 -4.835 -30.847 16.151 495 HD11 LEU 61 HD11 LEU 61 -3.638 -32.494 13.886 496 HD12 LEU 61 HD12 LEU 61 -3.931 -33.054 15.546 497 HD13 LEU 61 HD13 LEU 61 -5.301 -32.617 14.516 498 HD21 LEU 61 HD23 LEU 61 -2.102 -30.697 14.811 499 HD22 LEU 61 HD21 LEU 61 -2.671 -29.684 16.156 500 HD23 LEU 61 HD22 LEU 61 -2.424 -31.416 16.403 501 H GLY 62 H GLY 62 -4.527 -25.940 14.543 502 HA2 GLY 62 HA2 GLY 62 -1.761 -25.894 13.382 503 HA3 GLY 62 HA3 GLY 62 -2.958 -24.602 13.291 504 HA PRO 63 HA PRO 63 -1.372 -24.177 17.764 505 HB2 PRO 63 HB2 PRO 63 0.151 -26.014 19.051 506 HB3 PRO 63 HB3 PRO 63 -1.573 -26.330 18.720 507 HG2 PRO 63 HG2 PRO 63 0.803 -27.203 17.023 508 HG3 PRO 63 HG3 PRO 63 -0.491 -28.241 17.712 509 HD2 PRO 63 HD2 PRO 63 -0.654 -27.246 15.174 510 HD3 PRO 63 HD3 PRO 63 -2.092 -27.405 16.235 511 H ALA 64 H ALA 64 -0.019 -23.517 15.330 512 HA ALA 64 HA ALA 64 1.882 -22.684 14.384 513 HB1 ALA 64 HB3 ALA 64 1.013 -21.012 15.976 514 HB2 ALA 64 HB1 ALA 64 2.152 -21.610 17.207 515 HB3 ALA 64 HB2 ALA 64 2.763 -20.856 15.723 516 H ALA 65 H ALA 65 2.571 -25.313 16.098 517 HA ALA 65 HA ALA 65 5.510 -25.114 15.498 518 HB1 ALA 65 HB3 ALA 65 5.181 -24.736 17.892 519 HB2 ALA 65 HB1 ALA 65 4.214 -26.222 18.035 520 HB3 ALA 65 HB2 ALA 65 5.944 -26.312 17.615 521 H THR 66 H THR 66 3.355 -27.806 16.748 522 HA THR 66 HA THR 66 4.302 -29.751 14.946 523 HB THR 66 HB THR 66 1.371 -29.622 15.702 524 HG1 THR 66 HG1 THR 66 3.335 -30.663 17.380 525 HG21 THR 66 HG23 THR 66 2.109 -31.574 14.377 526 HG22 THR 66 HG21 THR 66 3.418 -31.890 15.510 527 HG23 THR 66 HG22 THR 66 1.720 -32.078 16.027 528 H LEU 67 H LEU 67 2.399 -26.995 14.187 529 HA LEU 67 HA LEU 67 1.068 -27.697 11.802 530 HB2 LEU 67 HB2 LEU 67 1.113 -25.634 13.123 531 HB3 LEU 67 HB3 LEU 67 2.667 -25.206 12.435 532 HG LEU 67 HG LEU 67 -0.109 -25.071 11.196 533 HD11 LEU 67 HD11 LEU 67 2.459 -23.425 10.964 534 HD12 LEU 67 HD12 LEU 67 0.847 -22.950 10.368 535 HD13 LEU 67 HD13 LEU 67 1.136 -23.088 12.109 536 HD21 LEU 67 HD23 LEU 67 2.365 -25.537 9.572 537 HD22 LEU 67 HD21 LEU 67 0.894 -26.554 9.661 538 HD23 LEU 67 HD22 LEU 67 0.836 -24.917 8.962 539 H GLU 68 H GLU 68 4.521 -26.737 12.250 540 HA GLU 68 HA GLU 68 5.393 -26.661 9.640 541 HB2 GLU 68 HB2 GLU 68 6.920 -27.988 11.929 542 HB3 GLU 68 HB3 GLU 68 7.610 -27.339 10.434 543 HG2 GLU 68 HG2 GLU 68 6.731 -25.080 11.080 544 HG3 GLU 68 HG3 GLU 68 6.175 -25.789 12.583 545 H GLU 69 H GLU 69 4.876 -29.636 11.473 546 HA GLU 69 HA GLU 69 5.696 -31.288 9.124 547 HB2 GLU 69 HB2 GLU 69 5.066 -33.235 10.378 548 HB3 GLU 69 HB3 GLU 69 6.129 -32.174 11.315 549 HG2 GLU 69 HG2 GLU 69 4.421 -31.491 12.764 550 HG3 GLU 69 HG3 GLU 69 3.136 -32.157 11.755 551 H MET 70 H MET 70 2.696 -30.207 10.661 552 HA MET 70 HA MET 70 0.894 -31.971 9.263 553 HB2 MET 70 HB2 MET 70 0.525 -29.327 10.500 554 HB3 MET 70 HB3 MET 70 -0.805 -30.438 10.029 555 HG2 MET 70 HG2 MET 70 1.226 -31.401 11.909 556 HG3 MET 70 HG3 MET 70 0.138 -30.107 12.451 557 HE1 MET 70 HE3 MET 70 0.323 -33.696 10.797 558 HE2 MET 70 HE1 MET 70 0.802 -33.739 12.505 559 HE3 MET 70 HE2 MET 70 -0.671 -34.579 11.978 560 H MET 71 H MET 71 2.247 -28.939 8.551 561 HA MET 71 HA MET 71 0.812 -27.617 6.590 562 HB2 MET 71 HB2 MET 71 2.875 -26.901 7.746 563 HB3 MET 71 HB3 MET 71 3.832 -28.049 6.839 564 HG2 MET 71 HG2 MET 71 3.484 -26.731 4.773 565 HG3 MET 71 HG3 MET 71 2.397 -25.646 5.626 566 HE1 MET 71 HE3 MET 71 3.078 -24.134 7.591 567 HE2 MET 71 HE1 MET 71 4.229 -25.076 8.573 568 HE3 MET 71 HE2 MET 71 4.730 -23.531 7.868 569 H THR 72 H THR 72 3.416 -29.972 5.910 570 HA THR 72 HA THR 72 2.289 -30.608 3.248 571 HB THR 72 HB THR 72 4.805 -31.582 3.396 572 HG1 THR 72 HG1 THR 72 5.932 -29.444 4.083 573 HG21 THR 72 HG23 THR 72 3.723 -30.183 1.559 574 HG22 THR 72 HG21 THR 72 4.162 -28.739 2.509 575 HG23 THR 72 HG22 THR 72 5.414 -29.790 1.851 576 H ALA 73 H ALA 73 2.700 -32.144 6.393 577 HA ALA 73 HA ALA 73 3.184 -34.789 5.582 578 HB1 ALA 73 HB3 ALA 73 2.998 -34.236 7.931 579 HB2 ALA 73 HB1 ALA 73 1.294 -33.745 7.732 580 HB3 ALA 73 HB2 ALA 73 1.774 -35.446 7.546 581 H CYS 74 H CYS 74 0.355 -32.822 5.087 582 HA CYS 74 HA CYS 74 -1.652 -34.562 4.258 583 HB2 CYS 74 HB2 CYS 74 -2.359 -32.676 2.888 584 HB3 CYS 74 HB3 CYS 74 -1.693 -32.093 4.429 585 HG CYS 74 HG CYS 74 0.047 -30.671 3.667 586 H GLN 75 H GLN 75 1.228 -33.620 2.295 587 HA GLN 75 HA GLN 75 0.245 -34.878 -0.087 588 HB2 GLN 75 HB2 GLN 75 2.230 -34.069 -1.046 589 HB3 GLN 75 HB3 GLN 75 1.811 -32.911 0.226 590 HG2 GLN 75 HG2 GLN 75 3.924 -33.014 0.840 591 HG3 GLN 75 HG3 GLN 75 3.503 -34.527 1.626 592 HE21 GLN 75 HE22 GLN 75 6.123 -33.846 0.830 593 HE22 GLN 75 HE21 GLN 75 6.560 -34.996 -0.445 594 H GLY 76 H GLY 76 2.018 -36.091 2.632 595 HA2 GLY 76 HA2 GLY 76 2.912 -38.558 1.218 596 HA3 GLY 76 HA3 GLY 76 3.495 -37.967 2.781 597 H VAL 77 H VAL 77 0.083 -37.686 2.545 598 HA VAL 77 HA VAL 77 -0.311 -39.693 4.575 599 HB VAL 77 HB VAL 77 -1.724 -37.618 4.142 600 HG11 VAL 77 HG11 VAL 77 -3.278 -39.448 2.254 601 HG12 VAL 77 HG12 VAL 77 -3.692 -37.798 2.755 602 HG13 VAL 77 HG13 VAL 77 -2.277 -38.070 1.732 603 HG21 VAL 77 HG23 VAL 77 -3.195 -40.235 4.627 604 HG22 VAL 77 HG21 VAL 77 -2.272 -39.315 5.835 605 HG23 VAL 77 HG22 VAL 77 -3.722 -38.607 5.106 606 H GLY 78 H GLY 78 -0.426 -39.902 1.101 607 HA2 GLY 78 HA2 GLY 78 -0.497 -41.689 -0.340 608 HA3 GLY 78 HA3 GLY 78 -0.394 -42.771 1.051 609 H GLY 79 H GLY 79 -2.666 -42.563 2.389 610 HA2 GLY 79 HA2 GLY 79 -5.098 -41.985 1.785 611 HA3 GLY 79 HA3 GLY 79 -4.907 -43.168 0.490 612 HA PRO 80 HA PRO 80 -6.007 -45.192 4.653 613 HB2 PRO 80 HB2 PRO 80 -8.726 -45.344 4.690 614 HB3 PRO 80 HB3 PRO 80 -7.847 -43.853 5.143 615 HG2 PRO 80 HG2 PRO 80 -9.075 -44.533 2.445 616 HG3 PRO 80 HG3 PRO 80 -9.302 -43.041 3.415 617 HD2 PRO 80 HD2 PRO 80 -7.468 -43.184 1.395 618 HD3 PRO 80 HD3 PRO 80 -7.142 -42.258 2.892 619 H GLY 81 H GLY 81 -6.875 -45.928 1.361 620 HA2 GLY 81 HA2 GLY 81 -6.242 -48.581 1.269 621 HA3 GLY 81 HA3 GLY 81 -7.893 -48.622 1.883 622 H HIS 82 H HIS 82 -7.226 -49.820 -0.499 623 HA HIS 82 HA HIS 82 -7.386 -48.323 -2.853 624 HB2 HIS 82 HB2 HIS 82 -7.936 -50.558 -3.899 625 HB3 HIS 82 HB3 HIS 82 -6.494 -50.472 -2.910 626 HD2 HIS 82 HD2 HIS 82 -9.911 -51.026 -1.146 627 HE1 HIS 82 HE1 HIS 82 -7.712 -54.670 -0.947 628 HE2 HIS 82 HE2 HIS 82 -9.813 -53.462 -0.158 629 H LYS 83 H LYS 83 -10.004 -48.315 -0.841 630 HA LYS 83 HA LYS 83 -12.074 -48.690 -2.900 631 HB2 LYS 83 HB2 LYS 83 -12.260 -49.475 -0.500 632 HB3 LYS 83 HB3 LYS 83 -12.496 -47.808 -0.009 633 HG2 LYS 83 HG2 LYS 83 -14.243 -48.913 -2.229 634 HG3 LYS 83 HG3 LYS 83 -14.472 -49.586 -0.635 635 HD2 LYS 83 HD2 LYS 83 -15.663 -47.871 0.091 636 HD3 LYS 83 HD3 LYS 83 -14.466 -46.691 -0.371 637 HE2 LYS 83 HE2 LYS 83 -16.652 -47.862 -2.155 638 HE3 LYS 83 HE3 LYS 83 -16.616 -46.246 -1.438 639 HZ1 LYS 83 HZ3 LYS 83 -14.520 -45.869 -2.751 640 HZ2 LYS 83 HZ1 LYS 83 -14.784 -47.258 -3.536 641 HZ3 LYS 83 HZ2 LYS 83 -15.856 -46.032 -3.686 642 H ALA 84 H ALA 84 -10.530 -46.861 -3.896 643 HA ALA 84 HA ALA 84 -10.788 -44.159 -3.221 644 HB1 ALA 84 HB3 ALA 84 -9.077 -45.163 -4.685 645 HB2 ALA 84 HB1 ALA 84 -10.299 -45.449 -5.940 646 HB3 ALA 84 HB2 ALA 84 -9.855 -43.791 -5.480 647 H ARG 85 H ARG 85 -11.531 -42.487 -4.937 648 HA ARG 85 HA ARG 85 -14.062 -42.967 -6.308 649 HB2 ARG 85 HB2 ARG 85 -14.610 -42.246 -3.872 650 HB3 ARG 85 HB3 ARG 85 -13.912 -40.680 -4.303 651 HG2 ARG 85 HG2 ARG 85 -15.629 -40.512 -6.172 652 HG3 ARG 85 HG3 ARG 85 -16.278 -42.068 -5.653 653 HD2 ARG 85 HD2 ARG 85 -17.686 -40.375 -4.740 654 HD3 ARG 85 HD3 ARG 85 -16.748 -41.048 -3.405 655 HE ARG 85 HE ARG 85 -15.682 -38.982 -3.121 656 HH11 ARG 85 HH11 ARG 85 -17.299 -38.798 -6.242 657 HH12 ARG 85 HH12 ARG 85 -16.810 -37.161 -6.455 658 HH21 ARG 85 HH21 ARG 85 -15.149 -36.864 -3.528 659 HH22 ARG 85 HH22 ARG 85 -15.774 -36.118 -4.968 660 H VAL 86 H VAL 86 -14.485 -41.231 -7.807 661 HA VAL 86 HA VAL 86 -12.186 -39.663 -8.758 662 HB VAL 86 HB VAL 86 -13.819 -40.847 -10.231 663 HG11 VAL 86 HG11 VAL 86 -15.783 -38.649 -9.485 664 HG12 VAL 86 HG12 VAL 86 -15.997 -39.889 -10.729 665 HG13 VAL 86 HG13 VAL 86 -15.925 -40.358 -9.024 666 HG21 VAL 86 HG23 VAL 86 -13.862 -37.902 -10.910 667 HG22 VAL 86 HG21 VAL 86 -12.402 -38.925 -11.042 668 HG23 VAL 86 HG22 VAL 86 -13.856 -39.301 -11.978 669 H LEU 87 H LEU 87 -13.063 -37.264 -9.394 670 HA LEU 87 HA LEU 87 -13.188 -35.542 -7.197 671 HB2 LEU 87 HB2 LEU 87 -12.628 -34.889 -9.519 672 HB3 LEU 87 HB3 LEU 87 -14.281 -35.267 -10.027 673 HG LEU 87 HG LEU 87 -15.164 -33.416 -8.655 674 HD11 LEU 87 HD11 LEU 87 -12.223 -32.853 -8.050 675 HD12 LEU 87 HD12 LEU 87 -13.578 -31.747 -7.709 676 HD13 LEU 87 HD13 LEU 87 -13.486 -33.298 -6.875 677 HD21 LEU 87 HD23 LEU 87 -12.877 -32.607 -10.495 678 HD22 LEU 87 HD21 LEU 87 -14.525 -33.053 -11.003 679 HD23 LEU 87 HD22 LEU 87 -14.268 -31.599 -10.027 Start of MODEL 11 1 H1 MET 1 H1 MET 1 3.099 -9.110 -5.123 2 H2 MET 1 H2 MET 1 4.343 -8.188 -4.578 3 H3 MET 1 H3 MET 1 4.542 -9.788 -4.819 4 HA MET 1 HA MET 1 5.606 -8.542 -6.547 5 HB2 MET 1 HB2 MET 1 4.525 -9.623 -8.525 6 HB3 MET 1 HB3 MET 1 5.054 -10.687 -7.227 7 HG2 MET 1 HG2 MET 1 2.780 -10.953 -6.418 8 HG3 MET 1 HG3 MET 1 2.157 -9.848 -7.636 9 HE1 MET 1 HE3 MET 1 1.913 -10.395 -10.202 10 HE2 MET 1 HE1 MET 1 3.659 -10.711 -10.363 11 HE3 MET 1 HE2 MET 1 2.484 -11.899 -10.951 12 H SER 2 H SER 2 2.051 -8.120 -7.151 13 HA SER 2 HA SER 2 2.245 -5.302 -6.947 14 HB2 SER 2 HB2 SER 2 3.307 -5.195 -9.078 15 HB3 SER 2 HB3 SER 2 2.165 -6.332 -9.801 16 HG SER 2 HG SER 2 1.586 -3.724 -8.821 17 HA PRO 3 HA PRO 3 -2.252 -6.725 -7.572 18 HB2 PRO 3 HB2 PRO 3 -2.958 -9.099 -8.698 19 HB3 PRO 3 HB3 PRO 3 -2.514 -7.682 -9.685 20 HG2 PRO 3 HG2 PRO 3 -0.689 -9.966 -8.835 21 HG3 PRO 3 HG3 PRO 3 -0.991 -9.359 -10.498 22 HD2 PRO 3 HD2 PRO 3 1.133 -8.490 -9.072 23 HD3 PRO 3 HD3 PRO 3 0.198 -7.363 -10.094 24 H THR 4 H THR 4 -0.561 -7.037 -5.550 25 HA THR 4 HA THR 4 -0.575 -7.560 -3.410 26 HB THR 4 HB THR 4 -1.561 -9.449 -2.300 27 HG1 THR 4 HG1 THR 4 -2.249 -10.251 -4.896 28 HG21 THR 4 HG23 THR 4 -3.000 -7.527 -2.777 29 HG22 THR 4 HG21 THR 4 -3.534 -8.279 -4.295 30 HG23 THR 4 HG22 THR 4 -3.896 -9.053 -2.738 31 H SER 5 H SER 5 0.440 -8.968 -1.895 32 HA SER 5 HA SER 5 2.430 -11.013 -2.735 33 HB2 SER 5 HB2 SER 5 2.712 -8.544 -0.959 34 HB3 SER 5 HB3 SER 5 3.730 -9.965 -0.697 35 HG SER 5 HG SER 5 4.390 -9.883 -2.793 36 H ILE 6 H ILE 6 3.205 -12.056 -0.424 37 HA ILE 6 HA ILE 6 0.849 -13.020 1.013 38 HB ILE 6 HB ILE 6 2.386 -14.621 1.203 39 HG12 ILE 6 HG12 ILE 6 3.354 -14.895 3.321 40 HG13 ILE 6 HG13 ILE 6 3.506 -13.180 3.608 41 HG21 ILE 6 HG21 ILE 6 4.625 -12.570 1.367 42 HG22 ILE 6 HG22 ILE 6 4.869 -14.300 1.612 43 HG23 ILE 6 HG23 ILE 6 4.263 -13.735 0.065 44 HD11 ILE 6 HD13 ILE 6 1.310 -12.945 4.319 45 HD12 ILE 6 HD11 ILE 6 0.726 -14.319 3.364 46 HD13 ILE 6 HD12 ILE 6 1.674 -14.577 4.865 47 H LEU 7 H LEU 7 3.535 -10.900 2.242 48 HA LEU 7 HA LEU 7 2.346 -10.569 4.721 49 HB2 LEU 7 HB2 LEU 7 3.939 -8.904 5.202 50 HB3 LEU 7 HB3 LEU 7 4.723 -10.180 4.291 51 HG LEU 7 HG LEU 7 3.745 -7.659 2.888 52 HD11 LEU 7 HD11 LEU 7 6.410 -8.028 4.321 53 HD12 LEU 7 HD12 LEU 7 5.967 -6.663 3.270 54 HD13 LEU 7 HD13 LEU 7 5.107 -6.905 4.794 55 HD21 LEU 7 HD23 LEU 7 6.054 -9.583 2.345 56 HD22 LEU 7 HD21 LEU 7 4.540 -9.447 1.410 57 HD23 LEU 7 HD22 LEU 7 5.684 -8.118 1.409 58 H ASP 8 H ASP 8 1.084 -9.287 2.017 59 HA ASP 8 HA ASP 8 0.218 -6.604 2.583 60 HB2 ASP 8 HB2 ASP 8 -0.338 -8.925 0.682 61 HB3 ASP 8 HB3 ASP 8 -1.358 -7.541 0.692 62 H ILE 9 H ILE 9 -0.940 -9.882 3.117 63 HA ILE 9 HA ILE 9 -3.587 -8.887 4.020 64 HB ILE 9 HB ILE 9 -4.506 -11.001 3.316 65 HG12 ILE 9 HG12 ILE 9 -1.920 -11.904 2.028 66 HG13 ILE 9 HG13 ILE 9 -2.127 -12.199 3.759 67 HG21 ILE 9 HG21 ILE 9 -2.784 -9.884 1.066 68 HG22 ILE 9 HG22 ILE 9 -4.293 -10.802 0.901 69 HG23 ILE 9 HG23 ILE 9 -4.308 -9.184 1.632 70 HD11 ILE 9 HD13 ILE 9 -4.270 -13.298 3.334 71 HD12 ILE 9 HD11 ILE 9 -4.020 -13.114 1.580 72 HD13 ILE 9 HD12 ILE 9 -2.902 -14.119 2.545 73 H ARG 10 H ARG 10 -1.074 -9.365 5.514 74 HA ARG 10 HA ARG 10 -1.163 -11.443 7.312 75 HB2 ARG 10 HB2 ARG 10 -0.127 -8.630 7.429 76 HB3 ARG 10 HB3 ARG 10 -0.232 -9.486 8.966 77 HG2 ARG 10 HG2 ARG 10 1.141 -10.610 6.508 78 HG3 ARG 10 HG3 ARG 10 1.919 -9.726 7.812 79 HD2 ARG 10 HD2 ARG 10 0.770 -11.594 9.360 80 HD3 ARG 10 HD3 ARG 10 0.670 -12.494 7.867 81 HE ARG 10 HE ARG 10 3.034 -12.022 9.477 82 HH11 ARG 10 HH11 ARG 10 2.217 -12.386 6.052 83 HH12 ARG 10 HH12 ARG 10 3.886 -12.875 5.697 84 HH21 ARG 10 HH21 ARG 10 5.174 -12.656 8.717 85 HH22 ARG 10 HH22 ARG 10 5.298 -12.973 6.983 86 H GLN 11 H GLN 11 -2.477 -12.185 8.468 87 HA GLN 11 HA GLN 11 -3.832 -10.635 10.604 88 HB2 GLN 11 HB2 GLN 11 -5.548 -12.856 9.628 89 HB3 GLN 11 HB3 GLN 11 -5.977 -11.250 10.218 90 HG2 GLN 11 HG2 GLN 11 -5.221 -10.321 7.978 91 HG3 GLN 11 HG3 GLN 11 -4.968 -12.019 7.481 92 HE21 GLN 11 HE22 GLN 11 -6.275 -10.818 5.760 93 HE22 GLN 11 HE21 GLN 11 -8.018 -11.081 5.915 94 H GLY 12 H GLY 12 -2.774 -13.820 9.302 95 HA2 GLY 12 HA2 GLY 12 -1.823 -15.581 10.249 96 HA3 GLY 12 HA3 GLY 12 -1.300 -14.538 11.604 97 HA PRO 13 HA PRO 13 -5.937 -15.492 12.563 98 HB2 PRO 13 HB2 PRO 13 -7.451 -17.088 10.959 99 HB3 PRO 13 HB3 PRO 13 -7.074 -15.397 10.546 100 HG2 PRO 13 HG2 PRO 13 -5.488 -17.854 9.647 101 HG3 PRO 13 HG3 PRO 13 -6.251 -16.601 8.596 102 HD2 PRO 13 HD2 PRO 13 -3.692 -16.444 9.286 103 HD3 PRO 13 HD3 PRO 13 -4.719 -14.979 9.335 104 H LYS 14 H LYS 14 -3.610 -17.712 12.268 105 HA LYS 14 HA LYS 14 -2.994 -19.677 13.364 106 HB2 LYS 14 HB2 LYS 14 -3.261 -17.775 14.938 107 HB3 LYS 14 HB3 LYS 14 -4.815 -18.427 15.408 108 HG2 LYS 14 HG2 LYS 14 -3.062 -20.578 15.918 109 HG3 LYS 14 HG3 LYS 14 -2.034 -19.199 16.148 110 HD2 LYS 14 HD2 LYS 14 -3.068 -19.931 18.255 111 HD3 LYS 14 HD3 LYS 14 -3.509 -18.277 17.844 112 HE2 LYS 14 HE2 LYS 14 -5.437 -19.466 18.765 113 HE3 LYS 14 HE3 LYS 14 -5.739 -18.989 17.105 114 HZ1 LYS 14 HZ3 LYS 14 -5.240 -21.274 16.411 115 HZ2 LYS 14 HZ1 LYS 14 -5.032 -21.730 17.994 116 HZ3 LYS 14 HZ2 LYS 14 -6.492 -21.188 17.471 117 H GLU 15 H GLU 15 -6.038 -19.878 12.172 118 HA GLU 15 HA GLU 15 -6.552 -22.590 13.278 119 HB2 GLU 15 HB2 GLU 15 -8.535 -20.258 13.403 120 HB3 GLU 15 HB3 GLU 15 -8.919 -21.957 13.689 121 HG2 GLU 15 HG2 GLU 15 -6.973 -21.894 15.390 122 HG3 GLU 15 HG3 GLU 15 -7.094 -20.131 15.288 123 HA PRO 16 HA PRO 16 -8.868 -22.509 9.189 124 HB2 PRO 16 HB2 PRO 16 -8.853 -20.413 7.520 125 HB3 PRO 16 HB3 PRO 16 -10.021 -20.496 8.875 126 HG2 PRO 16 HG2 PRO 16 -7.399 -18.997 8.675 127 HG3 PRO 16 HG3 PRO 16 -8.969 -18.395 9.296 128 HD2 PRO 16 HD2 PRO 16 -6.952 -19.350 10.899 129 HD3 PRO 16 HD3 PRO 16 -8.682 -19.484 11.342 130 H PHE 17 H PHE 17 -8.059 -23.083 7.089 131 HA PHE 17 HA PHE 17 -5.114 -22.733 6.691 132 HB2 PHE 17 HB2 PHE 17 -6.483 -25.242 7.436 133 HB3 PHE 17 HB3 PHE 17 -5.550 -25.384 5.963 134 HD1 PHE 17 HD2 PHE 17 -4.835 -23.523 9.195 135 HD2 PHE 17 HD1 PHE 17 -3.650 -26.733 6.549 136 HE1 PHE 17 HE2 PHE 17 -2.668 -23.666 10.336 137 HE2 PHE 17 HE1 PHE 17 -1.442 -26.860 7.763 138 HZ PHE 17 HZ PHE 17 -0.959 -25.250 9.572 139 H ARG 18 H ARG 18 -7.831 -24.496 5.022 140 HA ARG 18 HA ARG 18 -6.526 -24.356 2.524 141 HB2 ARG 18 HB2 ARG 18 -8.531 -25.237 1.557 142 HB3 ARG 18 HB3 ARG 18 -8.180 -25.977 3.106 143 HG2 ARG 18 HG2 ARG 18 -10.538 -25.804 2.841 144 HG3 ARG 18 HG3 ARG 18 -10.029 -24.779 4.182 145 HD2 ARG 18 HD2 ARG 18 -10.741 -22.891 3.192 146 HD3 ARG 18 HD3 ARG 18 -10.115 -23.368 1.608 147 HE ARG 18 HE ARG 18 -12.623 -24.669 2.470 148 HH11 ARG 18 HH11 ARG 18 -11.181 -22.060 0.627 149 HH12 ARG 18 HH12 ARG 18 -12.648 -21.704 -0.230 150 HH21 ARG 18 HH21 ARG 18 -14.482 -24.219 1.227 151 HH22 ARG 18 HH22 ARG 18 -14.433 -22.923 0.073 152 H ASP 19 H ASP 19 -8.766 -22.169 3.838 153 HA ASP 19 HA ASP 19 -9.526 -20.745 1.434 154 HB2 ASP 19 HB2 ASP 19 -10.432 -19.107 3.238 155 HB3 ASP 19 HB3 ASP 19 -11.090 -20.743 3.202 156 H TYR 20 H TYR 20 -7.267 -20.060 3.980 157 HA TYR 20 HA TYR 20 -6.206 -17.594 2.738 158 HB2 TYR 20 HB2 TYR 20 -6.599 -18.215 5.260 159 HB3 TYR 20 HB3 TYR 20 -5.122 -19.142 5.135 160 HD1 TYR 20 HD2 TYR 20 -2.928 -17.939 4.844 161 HD2 TYR 20 HD1 TYR 20 -6.656 -15.838 5.309 162 HE1 TYR 20 HE2 TYR 20 -1.686 -15.888 5.547 163 HE2 TYR 20 HE1 TYR 20 -5.431 -13.781 5.965 164 HH TYR 20 HH TYR 20 -3.329 -12.782 6.082 165 H VAL 21 H VAL 21 -5.194 -21.012 3.085 166 HA VAL 21 HA VAL 21 -2.520 -20.601 2.255 167 HB VAL 21 HB VAL 21 -3.515 -22.748 3.285 168 HG11 VAL 21 HG11 VAL 21 -3.677 -23.753 0.439 169 HG12 VAL 21 HG12 VAL 21 -4.180 -24.530 1.961 170 HG13 VAL 21 HG13 VAL 21 -5.091 -23.186 1.308 171 HG21 VAL 21 HG23 VAL 21 -1.564 -23.180 1.038 172 HG22 VAL 21 HG21 VAL 21 -1.157 -22.226 2.494 173 HG23 VAL 21 HG22 VAL 21 -1.647 -23.873 2.661 174 H ASP 22 H ASP 22 -5.416 -21.092 0.326 175 HA ASP 22 HA ASP 22 -4.447 -21.181 -2.310 176 HB2 ASP 22 HB2 ASP 22 -6.778 -21.208 -1.505 177 HB3 ASP 22 HB3 ASP 22 -6.665 -19.617 -0.970 178 H ARG 23 H ARG 23 -5.424 -18.416 -0.605 179 HA ARG 23 HA ARG 23 -4.278 -16.506 -2.339 180 HB2 ARG 23 HB2 ARG 23 -4.911 -15.611 0.508 181 HB3 ARG 23 HB3 ARG 23 -5.253 -14.810 -1.017 182 HG2 ARG 23 HG2 ARG 23 -6.616 -17.088 0.384 183 HG3 ARG 23 HG3 ARG 23 -7.295 -15.498 0.095 184 HD2 ARG 23 HD2 ARG 23 -6.496 -16.979 -2.355 185 HD3 ARG 23 HD3 ARG 23 -7.769 -17.763 -1.399 186 HE ARG 23 HE ARG 23 -8.354 -15.025 -1.751 187 HH11 ARG 23 HH11 ARG 23 -7.938 -17.928 -3.759 188 HH12 ARG 23 HH12 ARG 23 -9.257 -17.571 -4.793 189 HH21 ARG 23 HH21 ARG 23 -10.145 -14.606 -3.224 190 HH22 ARG 23 HH22 ARG 23 -10.408 -15.705 -4.553 191 H PHE 24 H PHE 24 -2.827 -18.013 0.323 192 HA PHE 24 HA PHE 24 -0.521 -16.204 0.551 193 HB2 PHE 24 HB2 PHE 24 -1.411 -17.387 2.495 194 HB3 PHE 24 HB3 PHE 24 -1.203 -18.939 1.696 195 HD1 PHE 24 HD1 PHE 24 1.110 -19.775 1.154 196 HD2 PHE 24 HD2 PHE 24 0.370 -16.562 3.903 197 HE1 PHE 24 HE1 PHE 24 3.417 -19.888 1.883 198 HE2 PHE 24 HE2 PHE 24 2.719 -16.752 4.720 199 HZ PHE 24 HZ PHE 24 4.337 -18.281 3.534 200 H TYR 25 H TYR 25 -0.909 -19.668 -0.633 201 HA TYR 25 HA TYR 25 1.854 -19.697 -1.474 202 HB2 TYR 25 HB2 TYR 25 -0.405 -21.628 -1.729 203 HB3 TYR 25 HB3 TYR 25 0.923 -21.784 -2.840 204 HD1 TYR 25 HD2 TYR 25 0.157 -21.769 0.818 205 HD2 TYR 25 HD1 TYR 25 3.044 -22.724 -2.205 206 HE1 TYR 25 HE2 TYR 25 1.234 -23.366 2.368 207 HE2 TYR 25 HE1 TYR 25 4.137 -24.335 -0.648 208 HH TYR 25 HH TYR 25 4.086 -25.310 1.480 209 H LYS 26 H LYS 26 -1.118 -18.872 -3.233 210 HA LYS 26 HA LYS 26 -0.237 -18.887 -5.863 211 HB2 LYS 26 HB2 LYS 26 -2.220 -18.059 -6.259 212 HB3 LYS 26 HB3 LYS 26 -2.514 -17.855 -4.552 213 HG2 LYS 26 HG2 LYS 26 -1.272 -15.631 -6.223 214 HG3 LYS 26 HG3 LYS 26 -3.004 -15.884 -6.054 215 HD2 LYS 26 HD2 LYS 26 -2.933 -15.658 -3.685 216 HD3 LYS 26 HD3 LYS 26 -1.178 -15.603 -3.655 217 HE2 LYS 26 HE2 LYS 26 -1.454 -13.440 -5.104 218 HE3 LYS 26 HE3 LYS 26 -3.146 -13.498 -4.605 219 HZ1 LYS 26 HZ3 LYS 26 -2.297 -13.527 -2.261 220 HZ2 LYS 26 HZ1 LYS 26 -0.786 -13.377 -2.804 221 HZ3 LYS 26 HZ2 LYS 26 -1.845 -12.141 -3.073 222 H THR 27 H THR 27 0.834 -16.717 -3.417 223 HA THR 27 HA THR 27 2.543 -15.218 -5.356 224 HB THR 27 HB THR 27 2.698 -13.699 -3.123 225 HG1 THR 27 HG1 THR 27 1.269 -14.682 -1.838 226 HG21 THR 27 HG23 THR 27 2.144 -12.796 -5.245 227 HG22 THR 27 HG21 THR 27 0.580 -13.624 -5.292 228 HG23 THR 27 HG22 THR 27 0.865 -12.295 -4.132 229 H LEU 28 H LEU 28 2.592 -16.747 -2.083 230 HA LEU 28 HA LEU 28 5.152 -16.241 -1.339 231 HB2 LEU 28 HB2 LEU 28 3.560 -17.442 0.035 232 HB3 LEU 28 HB3 LEU 28 3.742 -18.877 -0.973 233 HG LEU 28 HG LEU 28 5.005 -18.829 1.169 234 HD11 LEU 28 HD11 LEU 28 7.205 -19.168 -0.738 235 HD12 LEU 28 HD12 LEU 28 6.552 -20.247 0.493 236 HD13 LEU 28 HD13 LEU 28 5.729 -20.105 -1.072 237 HD21 LEU 28 HD23 LEU 28 6.849 -16.836 -0.048 238 HD22 LEU 28 HD21 LEU 28 5.587 -16.475 1.145 239 HD23 LEU 28 HD22 LEU 28 6.883 -17.586 1.583 240 H ARG 29 H ARG 29 4.269 -18.794 -3.614 241 HA ARG 29 HA ARG 29 6.761 -20.083 -4.019 242 HB2 ARG 29 HB2 ARG 29 5.806 -20.820 -6.157 243 HB3 ARG 29 HB3 ARG 29 4.637 -20.918 -4.831 244 HG2 ARG 29 HG2 ARG 29 3.716 -18.681 -5.551 245 HG3 ARG 29 HG3 ARG 29 4.807 -18.715 -6.940 246 HD2 ARG 29 HD2 ARG 29 3.747 -20.744 -7.777 247 HD3 ARG 29 HD3 ARG 29 2.708 -20.842 -6.336 248 HE ARG 29 HE ARG 29 2.072 -18.374 -7.208 249 HH11 ARG 29 HH11 ARG 29 2.157 -21.377 -8.962 250 HH12 ARG 29 HH12 ARG 29 0.995 -20.840 -10.152 251 HH21 ARG 29 HH21 ARG 29 0.758 -17.675 -8.697 252 HH22 ARG 29 HH22 ARG 29 0.214 -18.683 -10.026 253 H ALA 30 H ALA 30 6.098 -16.852 -4.902 254 HA ALA 30 HA ALA 30 8.633 -16.690 -6.459 255 HB1 ALA 30 HB3 ALA 30 6.668 -16.506 -7.952 256 HB2 ALA 30 HB1 ALA 30 6.033 -15.171 -6.952 257 HB3 ALA 30 HB2 ALA 30 7.551 -14.972 -7.852 258 H GLU 31 H GLU 31 7.496 -16.024 -3.527 259 HA GLU 31 HA GLU 31 8.899 -13.386 -3.266 260 HB2 GLU 31 HB2 GLU 31 6.419 -14.306 -1.757 261 HB3 GLU 31 HB3 GLU 31 7.281 -12.763 -1.552 262 HG2 GLU 31 HG2 GLU 31 6.898 -12.326 -4.017 263 HG3 GLU 31 HG3 GLU 31 5.848 -13.740 -4.043 264 H GLN 32 H GLN 32 8.570 -16.581 -2.013 265 HA GLN 32 HA GLN 32 11.097 -16.163 -0.537 266 HB2 GLN 32 HB2 GLN 32 8.941 -17.848 0.731 267 HB3 GLN 32 HB3 GLN 32 10.518 -17.472 1.378 268 HG2 GLN 32 HG2 GLN 32 8.290 -15.421 1.026 269 HG3 GLN 32 HG3 GLN 32 8.639 -16.292 2.510 270 HE21 GLN 32 HE22 GLN 32 8.535 -13.736 2.878 271 HE22 GLN 32 HE21 GLN 32 10.157 -13.001 2.838 272 H ALA 33 H ALA 33 8.865 -18.165 -2.291 273 HA ALA 33 HA ALA 33 9.351 -19.527 -3.993 274 HB1 ALA 33 HB3 ALA 33 11.718 -18.765 -3.993 275 HB2 ALA 33 HB1 ALA 33 12.114 -20.142 -2.932 276 HB3 ALA 33 HB2 ALA 33 11.462 -20.427 -4.550 277 H SER 34 H SER 34 9.533 -20.642 -0.725 278 HA SER 34 HA SER 34 9.561 -23.393 -1.089 279 HB2 SER 34 HB2 SER 34 8.304 -21.733 1.113 280 HB3 SER 34 HB3 SER 34 8.495 -23.499 1.168 281 HG SER 34 HG SER 34 10.331 -22.824 2.010 282 H GLN 35 H GLN 35 8.055 -23.301 -3.163 283 HA GLN 35 HA GLN 35 5.228 -23.876 -2.593 284 HB2 GLN 35 HB2 GLN 35 6.314 -22.902 -4.758 285 HB3 GLN 35 HB3 GLN 35 6.756 -24.568 -5.117 286 HG2 GLN 35 HG2 GLN 35 4.210 -25.102 -4.840 287 HG3 GLN 35 HG3 GLN 35 3.967 -23.361 -4.820 288 HE21 GLN 35 HE22 GLN 35 5.411 -26.019 -6.772 289 HE22 GLN 35 HE21 GLN 35 5.113 -25.211 -8.314 290 H GLU 36 H GLU 36 7.066 -25.487 -1.008 291 HA GLU 36 HA GLU 36 6.772 -28.309 -2.021 292 HB2 GLU 36 HB2 GLU 36 8.905 -27.013 -2.766 293 HB3 GLU 36 HB3 GLU 36 9.319 -27.003 -1.062 294 HG2 GLU 36 HG2 GLU 36 9.005 -29.618 -1.283 295 HG3 GLU 36 HG3 GLU 36 9.208 -29.314 -3.008 296 H VAL 37 H VAL 37 7.683 -29.829 -0.314 297 HA VAL 37 HA VAL 37 6.810 -29.605 2.378 298 HB VAL 37 HB VAL 37 8.991 -31.209 1.015 299 HG11 VAL 37 HG11 VAL 37 8.221 -31.494 3.950 300 HG12 VAL 37 HG12 VAL 37 9.200 -32.632 3.013 301 HG13 VAL 37 HG13 VAL 37 9.799 -30.997 3.312 302 HG21 VAL 37 HG23 VAL 37 6.327 -31.990 2.281 303 HG22 VAL 37 HG21 VAL 37 6.629 -31.801 0.541 304 HG23 VAL 37 HG22 VAL 37 7.445 -33.082 1.445 305 H LYS 38 H LYS 38 9.719 -28.293 0.812 306 HA LYS 38 HA LYS 38 10.922 -27.182 3.192 307 HB2 LYS 38 HB2 LYS 38 10.961 -26.495 0.273 308 HB3 LYS 38 HB3 LYS 38 11.674 -25.348 1.398 309 HG2 LYS 38 HG2 LYS 38 13.225 -27.012 2.254 310 HG3 LYS 38 HG3 LYS 38 12.489 -28.267 1.271 311 HD2 LYS 38 HD2 LYS 38 13.047 -26.521 -0.730 312 HD3 LYS 38 HD3 LYS 38 14.209 -25.921 0.445 313 HE2 LYS 38 HE2 LYS 38 15.385 -27.483 -0.890 314 HE3 LYS 38 HE3 LYS 38 15.068 -28.336 0.637 315 HZ1 LYS 38 HZ3 LYS 38 13.078 -29.313 -0.517 316 HZ2 LYS 38 HZ1 LYS 38 13.393 -28.576 -1.837 317 HZ3 LYS 38 HZ2 LYS 38 14.473 -29.734 -1.325 318 H ASN 39 H ASN 39 7.883 -26.781 2.862 319 HA ASN 39 HA ASN 39 6.983 -24.161 3.238 320 HB2 ASN 39 HB2 ASN 39 5.528 -26.114 3.183 321 HB3 ASN 39 HB3 ASN 39 6.460 -26.883 4.470 322 HD21 ASN 39 HD22 ASN 39 3.705 -24.792 3.863 323 HD22 ASN 39 HD21 ASN 39 3.451 -24.474 5.565 324 H ALA 40 H ALA 40 8.798 -26.259 5.420 325 HA ALA 40 HA ALA 40 8.903 -24.945 7.806 326 HB1 ALA 40 HB3 ALA 40 9.996 -27.075 7.314 327 HB2 ALA 40 HB1 ALA 40 11.115 -26.279 6.176 328 HB3 ALA 40 HB2 ALA 40 11.215 -25.948 7.921 329 H MET 41 H MET 41 10.387 -23.558 8.811 330 HA MET 41 HA MET 41 11.594 -21.648 9.126 331 HB2 MET 41 HB2 MET 41 12.943 -22.384 6.513 332 HB3 MET 41 HB3 MET 41 13.623 -21.385 7.785 333 HG2 MET 41 HG2 MET 41 13.861 -23.210 9.282 334 HG3 MET 41 HG3 MET 41 12.861 -24.279 8.307 335 HE1 MET 41 HE3 MET 41 13.544 -25.634 6.314 336 HE2 MET 41 HE1 MET 41 13.731 -24.134 5.380 337 HE3 MET 41 HE2 MET 41 15.014 -25.362 5.347 338 H THR 42 H THR 42 9.168 -21.397 7.118 339 HA THR 42 HA THR 42 9.732 -18.565 6.383 340 HB THR 42 HB THR 42 8.039 -18.982 4.406 341 HG1 THR 42 HG1 THR 42 9.065 -21.582 4.847 342 HG21 THR 42 HG23 THR 42 10.384 -18.283 4.074 343 HG22 THR 42 HG21 THR 42 10.933 -19.961 4.267 344 HG23 THR 42 HG22 THR 42 9.916 -19.508 2.881 345 H GLU 43 H GLU 43 7.646 -17.390 5.880 346 HA GLU 43 HA GLU 43 5.934 -17.411 8.163 347 HB2 GLU 43 HB2 GLU 43 4.664 -15.723 6.796 348 HB3 GLU 43 HB3 GLU 43 6.393 -15.413 7.019 349 HG2 GLU 43 HG2 GLU 43 6.662 -16.521 4.640 350 HG3 GLU 43 HG3 GLU 43 4.937 -16.266 4.510 351 H THR 44 H THR 44 5.825 -19.334 5.464 352 HA THR 44 HA THR 44 3.338 -20.095 4.727 353 HB THR 44 HB THR 44 5.574 -22.044 5.187 354 HG1 THR 44 HG1 THR 44 6.776 -20.929 3.940 355 HG21 THR 44 HG23 THR 44 3.325 -22.587 3.857 356 HG22 THR 44 HG21 THR 44 4.115 -21.662 2.576 357 HG23 THR 44 HG22 THR 44 4.922 -23.070 3.213 358 H LEU 45 H LEU 45 2.414 -19.597 7.058 359 HA LEU 45 HA LEU 45 2.305 -21.619 8.923 360 HB2 LEU 45 HB2 LEU 45 0.654 -20.233 9.965 361 HB3 LEU 45 HB3 LEU 45 1.972 -19.256 9.344 362 HG LEU 45 HG LEU 45 -0.561 -19.650 7.774 363 HD11 LEU 45 HD11 LEU 45 0.024 -17.490 9.811 364 HD12 LEU 45 HD12 LEU 45 -1.425 -17.564 8.759 365 HD13 LEU 45 HD13 LEU 45 -1.163 -18.805 9.993 366 HD21 LEU 45 HD23 LEU 45 1.328 -17.309 7.703 367 HD22 LEU 45 HD21 LEU 45 1.158 -18.543 6.436 368 HD23 LEU 45 HD22 LEU 45 -0.181 -17.477 6.772 369 H LEU 46 H LEU 46 1.274 -22.543 6.141 370 HA LEU 46 HA LEU 46 -0.735 -24.355 6.959 371 HB2 LEU 46 HB2 LEU 46 -2.461 -23.501 5.169 372 HB3 LEU 46 HB3 LEU 46 -2.503 -23.058 6.821 373 HG LEU 46 HG LEU 46 -2.782 -21.383 4.715 374 HD11 LEU 46 HD11 LEU 46 -2.267 -20.915 7.602 375 HD12 LEU 46 HD12 LEU 46 -2.571 -19.558 6.479 376 HD13 LEU 46 HD13 LEU 46 -3.760 -20.853 6.679 377 HD21 LEU 46 HD23 LEU 46 -0.152 -20.380 5.719 378 HD22 LEU 46 HD21 LEU 46 -0.272 -21.365 4.268 379 HD23 LEU 46 HD22 LEU 46 -1.134 -19.820 4.370 380 H VAL 47 H VAL 47 -1.773 -25.415 4.666 381 HA VAL 47 HA VAL 47 0.576 -26.033 2.952 382 HB VAL 47 HB VAL 47 -1.441 -28.213 3.477 383 HG11 VAL 47 HG11 VAL 47 1.530 -28.116 2.967 384 HG12 VAL 47 HG12 VAL 47 0.562 -29.605 3.168 385 HG13 VAL 47 HG13 VAL 47 0.261 -28.515 1.809 386 HG21 VAL 47 HG23 VAL 47 0.625 -27.583 5.552 387 HG22 VAL 47 HG21 VAL 47 -1.143 -27.669 5.728 388 HG23 VAL 47 HG22 VAL 47 -0.267 -29.131 5.326 389 H GLN 48 H GLN 48 0.094 -25.936 0.825 390 HA GLN 48 HA GLN 48 -2.294 -25.480 -0.500 391 HB2 GLN 48 HB2 GLN 48 0.031 -27.233 -1.347 392 HB3 GLN 48 HB3 GLN 48 -1.286 -26.768 -2.427 393 HG2 GLN 48 HG2 GLN 48 -0.753 -24.416 -2.209 394 HG3 GLN 48 HG3 GLN 48 0.452 -24.772 -0.973 395 HE21 GLN 48 HE22 GLN 48 2.183 -26.642 -1.939 396 HE22 GLN 48 HE21 GLN 48 2.729 -26.180 -3.544 397 H ASN 49 H ASN 49 -0.950 -28.711 0.238 398 HA ASN 49 HA ASN 49 -3.262 -30.123 -0.803 399 HB2 ASN 49 HB2 ASN 49 -0.769 -30.758 -0.996 400 HB3 ASN 49 HB3 ASN 49 -0.861 -31.259 0.689 401 HD21 ASN 49 HD22 ASN 49 -1.890 -33.207 1.114 402 HD22 ASN 49 HD21 ASN 49 -2.489 -34.242 -0.164 403 H ALA 50 H ALA 50 -3.624 -28.472 1.810 404 HA ALA 50 HA ALA 50 -3.722 -30.202 4.039 405 HB1 ALA 50 HB3 ALA 50 -3.786 -27.753 4.182 406 HB2 ALA 50 HB1 ALA 50 -5.412 -27.726 3.470 407 HB3 ALA 50 HB2 ALA 50 -5.128 -28.468 5.069 408 H ASN 51 H ASN 51 -5.161 -31.657 4.846 409 HA ASN 51 HA ASN 51 -7.456 -32.458 3.115 410 HB2 ASN 51 HB2 ASN 51 -6.929 -34.656 3.453 411 HB3 ASN 51 HB3 ASN 51 -5.329 -33.960 3.352 412 HD21 ASN 51 HD22 ASN 51 -6.291 -36.465 4.640 413 HD22 ASN 51 HD21 ASN 51 -6.339 -36.201 6.303 414 HA PRO 52 HA PRO 52 -10.327 -31.733 6.290 415 HB2 PRO 52 HB2 PRO 52 -11.684 -33.982 7.086 416 HB3 PRO 52 HB3 PRO 52 -11.912 -33.179 5.503 417 HG2 PRO 52 HG2 PRO 52 -10.240 -35.608 6.150 418 HG3 PRO 52 HG3 PRO 52 -11.332 -35.351 4.758 419 HD2 PRO 52 HD2 PRO 52 -8.632 -35.049 4.632 420 HD3 PRO 52 HD3 PRO 52 -9.730 -34.047 3.630 421 H ASP 53 H ASP 53 -8.358 -34.554 7.236 422 HA ASP 53 HA ASP 53 -8.626 -34.291 10.044 423 HB2 ASP 53 HB2 ASP 53 -6.177 -35.364 8.589 424 HB3 ASP 53 HB3 ASP 53 -6.831 -35.854 10.154 425 H CYS 54 H CYS 54 -5.919 -33.282 7.939 426 HA CYS 54 HA CYS 54 -4.325 -31.792 9.664 427 HB2 CYS 54 HB2 CYS 54 -3.647 -32.354 7.474 428 HB3 CYS 54 HB3 CYS 54 -5.054 -31.554 6.734 429 HG CYS 54 HG CYS 54 -2.499 -30.117 8.226 430 H LYS 55 H LYS 55 -7.164 -30.568 7.839 431 HA LYS 55 HA LYS 55 -7.018 -27.869 8.907 432 HB2 LYS 55 HB2 LYS 55 -9.200 -29.622 7.771 433 HB3 LYS 55 HB3 LYS 55 -9.642 -28.179 8.662 434 HG2 LYS 55 HG2 LYS 55 -9.542 -27.187 6.610 435 HG3 LYS 55 HG3 LYS 55 -7.897 -26.934 7.125 436 HD2 LYS 55 HD2 LYS 55 -7.768 -27.596 4.874 437 HD3 LYS 55 HD3 LYS 55 -7.262 -29.047 5.753 438 HE2 LYS 55 HE2 LYS 55 -9.439 -30.059 5.487 439 HE3 LYS 55 HE3 LYS 55 -10.180 -28.534 5.001 440 HZ1 LYS 55 HZ3 LYS 55 -8.872 -28.630 2.940 441 HZ2 LYS 55 HZ1 LYS 55 -8.180 -30.019 3.368 442 HZ3 LYS 55 HZ2 LYS 55 -9.798 -29.991 3.090 443 H THR 56 H THR 56 -8.909 -30.682 10.035 444 HA THR 56 HA THR 56 -9.980 -29.420 12.352 445 HB THR 56 HB THR 56 -9.600 -32.393 11.826 446 HG1 THR 56 HG1 THR 56 -10.704 -31.770 10.142 447 HG21 THR 56 HG23 THR 56 -10.453 -32.001 14.092 448 HG22 THR 56 HG21 THR 56 -11.660 -30.852 13.466 449 HG23 THR 56 HG22 THR 56 -11.766 -32.579 13.058 450 H ILE 57 H ILE 57 -6.914 -30.847 11.789 451 HA ILE 57 HA ILE 57 -6.251 -31.173 14.685 452 HB ILE 57 HB ILE 57 -4.896 -31.821 12.050 453 HG12 ILE 57 HG12 ILE 57 -5.587 -33.662 14.385 454 HG13 ILE 57 HG13 ILE 57 -6.761 -33.255 13.141 455 HG21 ILE 57 HG21 ILE 57 -3.583 -32.227 14.764 456 HG22 ILE 57 HG22 ILE 57 -2.999 -32.851 13.203 457 HG23 ILE 57 HG23 ILE 57 -3.011 -31.133 13.481 458 HD11 ILE 57 HD13 ILE 57 -5.146 -34.079 11.401 459 HD12 ILE 57 HD11 ILE 57 -4.147 -34.735 12.720 460 HD13 ILE 57 HD12 ILE 57 -5.806 -35.321 12.487 461 H LEU 58 H LEU 58 -4.522 -29.455 11.973 462 HA LEU 58 HA LEU 58 -3.082 -27.886 13.873 463 HB2 LEU 58 HB2 LEU 58 -3.461 -27.304 10.909 464 HB3 LEU 58 HB3 LEU 58 -2.297 -26.567 12.010 465 HG LEU 58 HG LEU 58 -1.669 -29.138 12.511 466 HD11 LEU 58 HD11 LEU 58 -2.839 -29.145 9.764 467 HD12 LEU 58 HD12 LEU 58 -1.653 -30.393 10.292 468 HD13 LEU 58 HD13 LEU 58 -3.205 -30.208 11.124 469 HD21 LEU 58 HD23 LEU 58 -0.729 -27.205 10.416 470 HD22 LEU 58 HD21 LEU 58 0.124 -27.873 11.835 471 HD23 LEU 58 HD22 LEU 58 -0.062 -28.816 10.342 472 H LYS 59 H LYS 59 -6.226 -27.539 12.632 473 HA LYS 59 HA LYS 59 -7.207 -25.076 13.240 474 HB2 LYS 59 HB2 LYS 59 -8.100 -27.801 13.619 475 HB3 LYS 59 HB3 LYS 59 -8.643 -26.880 14.969 476 HG2 LYS 59 HG2 LYS 59 -9.148 -25.364 12.569 477 HG3 LYS 59 HG3 LYS 59 -9.704 -26.989 12.307 478 HD2 LYS 59 HD2 LYS 59 -11.492 -25.516 13.177 479 HD3 LYS 59 HD3 LYS 59 -11.225 -26.987 14.100 480 HE2 LYS 59 HE2 LYS 59 -11.720 -24.962 15.478 481 HE3 LYS 59 HE3 LYS 59 -10.241 -25.810 15.933 482 HZ1 LYS 59 HZ3 LYS 59 -8.934 -24.115 15.030 483 HZ2 LYS 59 HZ1 LYS 59 -10.161 -23.465 14.130 484 HZ3 LYS 59 HZ2 LYS 59 -10.120 -23.263 15.723 485 H ALA 60 H ALA 60 -5.692 -27.163 15.542 486 HA ALA 60 HA ALA 60 -5.608 -25.024 17.629 487 HB1 ALA 60 HB3 ALA 60 -7.292 -26.726 18.234 488 HB2 ALA 60 HB1 ALA 60 -6.102 -28.021 17.970 489 HB3 ALA 60 HB2 ALA 60 -5.878 -26.858 19.301 490 H LEU 61 H LEU 61 -3.822 -27.200 15.649 491 HA LEU 61 HA LEU 61 -1.635 -27.490 17.618 492 HB2 LEU 61 HB2 LEU 61 -2.917 -29.454 16.290 493 HB3 LEU 61 HB3 LEU 61 -1.656 -29.137 15.130 494 HG LEU 61 HG LEU 61 0.027 -29.287 17.075 495 HD11 LEU 61 HD11 LEU 61 -2.342 -30.612 18.464 496 HD12 LEU 61 HD12 LEU 61 -0.657 -30.637 19.026 497 HD13 LEU 61 HD13 LEU 61 -1.553 -29.116 18.995 498 HD21 LEU 61 HD23 LEU 61 -1.595 -31.774 16.378 499 HD22 LEU 61 HD21 LEU 61 -0.272 -31.070 15.429 500 HD23 LEU 61 HD22 LEU 61 0.065 -31.753 17.022 501 H GLY 62 H GLY 62 -1.442 -25.112 16.917 502 HA2 GLY 62 HA2 GLY 62 0.941 -24.964 15.064 503 HA3 GLY 62 HA3 GLY 62 -0.115 -23.607 15.431 504 HA PRO 63 HA PRO 63 2.450 -23.999 19.451 505 HB2 PRO 63 HB2 PRO 63 3.806 -26.194 20.218 506 HB3 PRO 63 HB3 PRO 63 2.020 -26.197 20.231 507 HG2 PRO 63 HG2 PRO 63 3.842 -27.204 18.012 508 HG3 PRO 63 HG3 PRO 63 2.533 -28.111 18.844 509 HD2 PRO 63 HD2 PRO 63 2.131 -26.776 16.489 510 HD3 PRO 63 HD3 PRO 63 0.870 -26.892 17.766 511 H ALA 64 H ALA 64 3.327 -23.114 16.978 512 HA ALA 64 HA ALA 64 5.021 -22.250 15.799 513 HB1 ALA 64 HB3 ALA 64 5.138 -21.088 17.955 514 HB2 ALA 64 HB1 ALA 64 6.389 -22.227 18.510 515 HB3 ALA 64 HB2 ALA 64 6.709 -21.144 17.141 516 H ALA 65 H ALA 65 5.745 -25.411 16.766 517 HA ALA 65 HA ALA 65 7.943 -25.453 14.705 518 HB1 ALA 65 HB3 ALA 65 8.983 -25.326 16.944 519 HB2 ALA 65 HB1 ALA 65 8.053 -26.747 17.475 520 HB3 ALA 65 HB2 ALA 65 9.272 -26.904 16.188 521 H THR 66 H THR 66 5.892 -27.727 16.698 522 HA THR 66 HA THR 66 6.084 -29.904 15.006 523 HB THR 66 HB THR 66 3.433 -29.186 16.280 524 HG1 THR 66 HG1 THR 66 5.251 -30.479 17.824 525 HG21 THR 66 HG23 THR 66 3.599 -31.385 15.157 526 HG22 THR 66 HG21 THR 66 5.047 -31.771 16.075 527 HG23 THR 66 HG22 THR 66 3.478 -31.600 16.909 528 H LEU 67 H LEU 67 4.520 -26.966 14.112 529 HA LEU 67 HA LEU 67 2.473 -27.893 12.375 530 HB2 LEU 67 HB2 LEU 67 3.008 -25.652 13.241 531 HB3 LEU 67 HB3 LEU 67 4.305 -25.494 12.059 532 HG LEU 67 HG LEU 67 1.324 -25.281 11.771 533 HD11 LEU 67 HD11 LEU 67 3.690 -24.031 10.310 534 HD12 LEU 67 HD12 LEU 67 1.984 -23.544 10.154 535 HD13 LEU 67 HD13 LEU 67 2.831 -23.314 11.698 536 HD21 LEU 67 HD23 LEU 67 3.044 -26.290 9.486 537 HD22 LEU 67 HD21 LEU 67 1.743 -27.191 10.309 538 HD23 LEU 67 HD22 LEU 67 1.356 -25.741 9.352 539 H GLU 68 H GLU 68 5.920 -27.171 11.695 540 HA GLU 68 HA GLU 68 5.898 -27.701 8.977 541 HB2 GLU 68 HB2 GLU 68 8.203 -28.439 10.872 542 HB3 GLU 68 HB3 GLU 68 8.321 -28.040 9.136 543 HG2 GLU 68 HG2 GLU 68 7.295 -25.767 9.847 544 HG3 GLU 68 HG3 GLU 68 7.643 -26.296 11.497 545 H GLU 69 H GLU 69 5.937 -30.149 11.560 546 HA GLU 69 HA GLU 69 6.210 -32.313 9.544 547 HB2 GLU 69 HB2 GLU 69 5.928 -33.907 11.169 548 HB3 GLU 69 HB3 GLU 69 6.989 -32.673 11.861 549 HG2 GLU 69 HG2 GLU 69 5.376 -31.925 13.369 550 HG3 GLU 69 HG3 GLU 69 4.028 -32.678 12.542 551 H MET 70 H MET 70 3.598 -30.674 11.271 552 HA MET 70 HA MET 70 1.454 -32.515 10.634 553 HB2 MET 70 HB2 MET 70 1.544 -29.683 11.548 554 HB3 MET 70 HB3 MET 70 0.060 -30.677 11.403 555 HG2 MET 70 HG2 MET 70 2.356 -31.556 13.010 556 HG3 MET 70 HG3 MET 70 1.133 -30.442 13.633 557 HE1 MET 70 HE3 MET 70 2.224 -33.996 13.697 558 HE2 MET 70 HE1 MET 70 1.721 -33.099 15.143 559 HE3 MET 70 HE2 MET 70 0.848 -34.570 14.653 560 H MET 71 H MET 71 2.836 -29.882 8.978 561 HA MET 71 HA MET 71 0.992 -29.454 6.891 562 HB2 MET 71 HB2 MET 71 2.929 -27.992 7.140 563 HB3 MET 71 HB3 MET 71 4.043 -29.332 6.966 564 HG2 MET 71 HG2 MET 71 2.398 -29.324 4.616 565 HG3 MET 71 HG3 MET 71 2.816 -27.662 4.933 566 HE1 MET 71 HE3 MET 71 5.440 -30.501 5.831 567 HE2 MET 71 HE1 MET 71 4.717 -31.281 4.389 568 HE3 MET 71 HE2 MET 71 6.347 -30.595 4.334 569 H THR 72 H THR 72 3.842 -31.581 6.905 570 HA THR 72 HA THR 72 3.235 -33.156 4.629 571 HB THR 72 HB THR 72 4.457 -34.737 6.756 572 HG1 THR 72 HG1 THR 72 5.237 -32.969 7.676 573 HG21 THR 72 HG23 THR 72 4.758 -35.040 4.266 574 HG22 THR 72 HG21 THR 72 5.684 -33.532 4.233 575 HG23 THR 72 HG22 THR 72 6.293 -34.920 5.155 576 H ALA 73 H ALA 73 2.334 -33.728 8.046 577 HA ALA 73 HA ALA 73 1.694 -36.416 7.870 578 HB1 ALA 73 HB3 ALA 73 1.842 -35.096 9.961 579 HB2 ALA 73 HB1 ALA 73 0.278 -34.334 9.586 580 HB3 ALA 73 HB2 ALA 73 0.366 -36.078 9.902 581 H CYS 74 H CYS 74 -0.337 -33.769 6.868 582 HA CYS 74 HA CYS 74 -2.812 -35.103 6.390 583 HB2 CYS 74 HB2 CYS 74 -3.386 -33.194 5.197 584 HB3 CYS 74 HB3 CYS 74 -2.095 -32.583 6.255 585 HG CYS 74 HG CYS 74 -0.255 -32.352 4.573 586 H GLN 75 H GLN 75 0.162 -35.465 4.513 587 HA GLN 75 HA GLN 75 -1.053 -36.362 2.085 588 HB2 GLN 75 HB2 GLN 75 1.105 -36.997 1.431 589 HB3 GLN 75 HB3 GLN 75 1.352 -35.603 2.488 590 HG2 GLN 75 HG2 GLN 75 1.815 -37.292 4.369 591 HG3 GLN 75 HG3 GLN 75 1.830 -38.548 3.133 592 HE21 GLN 75 HE22 GLN 75 4.125 -38.208 4.668 593 HE22 GLN 75 HE21 GLN 75 5.342 -37.498 3.604 594 H GLY 76 H GLY 76 -0.373 -37.978 5.155 595 HA2 GLY 76 HA2 GLY 76 -0.563 -40.690 4.045 596 HA3 GLY 76 HA3 GLY 76 -0.279 -40.232 5.732 597 H VAL 77 H VAL 77 -2.912 -38.513 4.700 598 HA VAL 77 HA VAL 77 -4.907 -40.537 5.593 599 HB VAL 77 HB VAL 77 -4.826 -37.701 6.702 600 HG11 VAL 77 HG11 VAL 77 -6.145 -40.323 7.631 601 HG12 VAL 77 HG12 VAL 77 -6.236 -38.779 8.494 602 HG13 VAL 77 HG13 VAL 77 -7.013 -38.950 6.932 603 HG21 VAL 77 HG23 VAL 77 -3.634 -40.201 7.952 604 HG22 VAL 77 HG21 VAL 77 -2.781 -38.697 7.514 605 HG23 VAL 77 HG22 VAL 77 -3.964 -38.682 8.813 606 H GLY 78 H GLY 78 -4.164 -39.322 2.942 607 HA2 GLY 78 HA2 GLY 78 -6.509 -39.606 1.670 608 HA3 GLY 78 HA3 GLY 78 -6.644 -37.912 2.135 609 H GLY 79 H GLY 79 -3.737 -37.332 1.702 610 HA2 GLY 79 HA2 GLY 79 -2.420 -36.537 -0.039 611 HA3 GLY 79 HA3 GLY 79 -2.923 -37.981 -0.910 612 HA PRO 80 HA PRO 80 -4.482 -34.266 -3.229 613 HB2 PRO 80 HB2 PRO 80 -3.488 -34.796 -5.703 614 HB3 PRO 80 HB3 PRO 80 -2.460 -34.241 -4.354 615 HG2 PRO 80 HG2 PRO 80 -2.934 -37.112 -5.239 616 HG3 PRO 80 HG3 PRO 80 -1.361 -36.276 -5.014 617 HD2 PRO 80 HD2 PRO 80 -2.472 -37.811 -3.056 618 HD3 PRO 80 HD3 PRO 80 -1.568 -36.317 -2.666 619 H GLY 81 H GLY 81 -6.298 -36.175 -2.444 620 HA2 GLY 81 HA2 GLY 81 -7.574 -37.715 -4.446 621 HA3 GLY 81 HA3 GLY 81 -8.307 -37.135 -2.950 622 H HIS 82 H HIS 82 -7.709 -34.278 -4.160 623 HA HIS 82 HA HIS 82 -10.309 -33.556 -4.869 624 HB2 HIS 82 HB2 HIS 82 -9.433 -31.462 -5.504 625 HB3 HIS 82 HB3 HIS 82 -8.324 -32.040 -4.265 626 HD2 HIS 82 HD2 HIS 82 -6.038 -33.392 -5.459 627 HE1 HIS 82 HE1 HIS 82 -6.081 -30.916 -8.920 628 HE2 HIS 82 HE2 HIS 82 -4.673 -32.543 -7.533 629 H LYS 83 H LYS 83 -7.966 -35.036 -6.996 630 HA LYS 83 HA LYS 83 -9.154 -34.001 -9.391 631 HB2 LYS 83 HB2 LYS 83 -6.692 -34.728 -8.872 632 HB3 LYS 83 HB3 LYS 83 -7.190 -36.303 -9.457 633 HG2 LYS 83 HG2 LYS 83 -7.505 -33.660 -10.992 634 HG3 LYS 83 HG3 LYS 83 -6.101 -34.695 -11.095 635 HD2 LYS 83 HD2 LYS 83 -6.991 -35.742 -12.792 636 HD3 LYS 83 HD3 LYS 83 -8.187 -36.462 -11.754 637 HE2 LYS 83 HE2 LYS 83 -8.461 -33.786 -13.218 638 HE3 LYS 83 HE3 LYS 83 -9.066 -35.330 -13.820 639 HZ1 LYS 83 HZ3 LYS 83 -10.550 -35.455 -11.895 640 HZ2 LYS 83 HZ1 LYS 83 -10.019 -33.987 -11.356 641 HZ3 LYS 83 HZ2 LYS 83 -10.838 -34.120 -12.769 642 H ALA 84 H ALA 84 -11.281 -34.861 -8.386 643 HA ALA 84 HA ALA 84 -12.280 -37.379 -8.439 644 HB1 ALA 84 HB3 ALA 84 -13.493 -35.345 -7.754 645 HB2 ALA 84 HB1 ALA 84 -13.678 -34.867 -9.457 646 HB3 ALA 84 HB2 ALA 84 -14.477 -36.331 -8.850 647 H ARG 85 H ARG 85 -13.577 -38.635 -9.844 648 HA ARG 85 HA ARG 85 -12.793 -38.546 -12.730 649 HB2 ARG 85 HB2 ARG 85 -11.293 -39.861 -11.043 650 HB3 ARG 85 HB3 ARG 85 -12.599 -41.046 -11.010 651 HG2 ARG 85 HG2 ARG 85 -12.304 -41.440 -13.440 652 HG3 ARG 85 HG3 ARG 85 -11.126 -40.111 -13.522 653 HD2 ARG 85 HD2 ARG 85 -9.671 -41.321 -11.917 654 HD3 ARG 85 HD3 ARG 85 -10.826 -42.668 -11.886 655 HE ARG 85 HE ARG 85 -10.363 -42.576 -14.506 656 HH11 ARG 85 HH11 ARG 85 -7.990 -42.480 -11.923 657 HH12 ARG 85 HH12 ARG 85 -6.741 -43.168 -12.917 658 HH21 ARG 85 HH21 ARG 85 -8.717 -43.444 -15.722 659 HH22 ARG 85 HH22 ARG 85 -7.154 -43.712 -15.017 660 H VAL 86 H VAL 86 -15.390 -37.999 -11.489 661 HA VAL 86 HA VAL 86 -17.050 -39.536 -13.278 662 HB VAL 86 HB VAL 86 -16.933 -40.917 -11.151 663 HG11 VAL 86 HG11 VAL 86 -18.704 -38.749 -9.963 664 HG12 VAL 86 HG12 VAL 86 -18.258 -40.295 -9.227 665 HG13 VAL 86 HG13 VAL 86 -17.016 -39.057 -9.497 666 HG21 VAL 86 HG23 VAL 86 -19.761 -40.056 -11.815 667 HG22 VAL 86 HG21 VAL 86 -18.766 -41.124 -12.836 668 HG23 VAL 86 HG22 VAL 86 -19.193 -41.600 -11.186 669 H LEU 87 H LEU 87 -19.426 -38.605 -12.945 670 HA LEU 87 HA LEU 87 -19.609 -35.883 -11.902 671 HB2 LEU 87 HB2 LEU 87 -19.006 -35.806 -14.407 672 HB3 LEU 87 HB3 LEU 87 -20.526 -36.646 -14.716 673 HG LEU 87 HG LEU 87 -20.208 -33.870 -13.487 674 HD11 LEU 87 HD11 LEU 87 -21.219 -34.766 -16.216 675 HD12 LEU 87 HD12 LEU 87 -21.121 -33.089 -15.629 676 HD13 LEU 87 HD13 LEU 87 -19.637 -34.021 -15.889 677 HD21 LEU 87 HD23 LEU 87 -22.716 -35.432 -14.224 678 HD22 LEU 87 HD21 LEU 87 -22.285 -34.759 -12.644 679 HD23 LEU 87 HD22 LEU 87 -22.687 -33.666 -13.964 Start of MODEL 12 1 H1 MET 1 H1 MET 1 11.895 -7.699 -4.438 2 H2 MET 1 H2 MET 1 13.091 -6.723 -3.899 3 H3 MET 1 H3 MET 1 13.449 -7.964 -4.926 4 HA MET 1 HA MET 1 13.483 -5.812 -6.065 5 HB2 MET 1 HB2 MET 1 11.288 -7.756 -6.891 6 HB3 MET 1 HB3 MET 1 11.735 -6.328 -7.838 7 HG2 MET 1 HG2 MET 1 14.039 -7.145 -8.052 8 HG3 MET 1 HG3 MET 1 13.632 -8.590 -7.106 9 HE1 MET 1 HE3 MET 1 14.967 -8.514 -10.099 10 HE2 MET 1 HE1 MET 1 14.699 -10.018 -9.180 11 HE3 MET 1 HE2 MET 1 14.101 -9.872 -10.847 12 H SER 2 H SER 2 9.966 -6.516 -5.725 13 HA SER 2 HA SER 2 9.209 -3.812 -5.115 14 HB2 SER 2 HB2 SER 2 7.088 -5.135 -4.433 15 HB3 SER 2 HB3 SER 2 7.627 -5.309 -6.109 16 HG SER 2 HG SER 2 7.657 -7.196 -4.047 17 HA PRO 3 HA PRO 3 9.616 -4.344 -0.574 18 HB2 PRO 3 HB2 PRO 3 7.966 -2.438 0.393 19 HB3 PRO 3 HB3 PRO 3 9.415 -2.006 -0.565 20 HG2 PRO 3 HG2 PRO 3 6.543 -2.237 -1.535 21 HG3 PRO 3 HG3 PRO 3 7.696 -0.894 -1.808 22 HD2 PRO 3 HD2 PRO 3 7.288 -2.923 -3.631 23 HD3 PRO 3 HD3 PRO 3 8.863 -2.096 -3.441 24 H THR 4 H THR 4 6.505 -4.774 -2.175 25 HA THR 4 HA THR 4 4.984 -5.626 0.120 26 HB THR 4 HB THR 4 3.693 -4.874 -1.661 27 HG1 THR 4 HG1 THR 4 2.871 -6.725 -0.729 28 HG21 THR 4 HG23 THR 4 5.077 -4.980 -3.592 29 HG22 THR 4 HG21 THR 4 5.198 -6.765 -3.498 30 HG23 THR 4 HG22 THR 4 3.664 -5.977 -3.924 31 H SER 5 H SER 5 4.371 -7.605 0.774 32 HA SER 5 HA SER 5 5.586 -10.098 -0.156 33 HB2 SER 5 HB2 SER 5 6.410 -10.717 2.121 34 HB3 SER 5 HB3 SER 5 7.353 -9.438 1.337 35 HG SER 5 HG SER 5 6.131 -7.933 2.568 36 H ILE 6 H ILE 6 4.582 -11.913 1.564 37 HA ILE 6 HA ILE 6 1.830 -11.625 1.050 38 HB ILE 6 HB ILE 6 1.359 -13.615 1.961 39 HG12 ILE 6 HG12 ILE 6 2.864 -14.716 3.816 40 HG13 ILE 6 HG13 ILE 6 3.383 -13.096 4.159 41 HG21 ILE 6 HG21 ILE 6 4.324 -14.031 1.929 42 HG22 ILE 6 HG22 ILE 6 3.070 -15.047 1.177 43 HG23 ILE 6 HG23 ILE 6 3.512 -13.536 0.439 44 HD11 ILE 6 HD13 ILE 6 0.795 -12.595 4.568 45 HD12 ILE 6 HD11 ILE 6 0.614 -14.346 4.472 46 HD13 ILE 6 HD12 ILE 6 1.657 -13.585 5.700 47 H LEU 7 H LEU 7 3.543 -10.837 3.929 48 HA LEU 7 HA LEU 7 1.512 -10.540 5.817 49 HB2 LEU 7 HB2 LEU 7 3.096 -9.466 7.211 50 HB3 LEU 7 HB3 LEU 7 3.921 -10.678 6.255 51 HG LEU 7 HG LEU 7 4.368 -8.506 4.664 52 HD11 LEU 7 HD11 LEU 7 4.308 -7.374 7.495 53 HD12 LEU 7 HD12 LEU 7 5.009 -6.580 6.061 54 HD13 LEU 7 HD13 LEU 7 3.276 -6.862 6.145 55 HD21 LEU 7 HD23 LEU 7 5.955 -9.271 7.157 56 HD22 LEU 7 HD21 LEU 7 6.082 -10.028 5.547 57 HD23 LEU 7 HD22 LEU 7 6.583 -8.349 5.766 58 H ASP 8 H ASP 8 1.483 -8.742 3.113 59 HA ASP 8 HA ASP 8 0.388 -6.225 3.992 60 HB2 ASP 8 HB2 ASP 8 0.699 -7.900 1.461 61 HB3 ASP 8 HB3 ASP 8 -0.278 -6.483 1.486 62 H ILE 9 H ILE 9 -0.669 -9.368 4.427 63 HA ILE 9 HA ILE 9 -3.511 -8.518 4.623 64 HB ILE 9 HB ILE 9 -4.307 -10.636 4.209 65 HG12 ILE 9 HG12 ILE 9 -1.539 -11.739 3.646 66 HG13 ILE 9 HG13 ILE 9 -2.388 -11.982 5.166 67 HG21 ILE 9 HG21 ILE 9 -2.346 -10.053 1.968 68 HG22 ILE 9 HG22 ILE 9 -3.961 -10.792 1.824 69 HG23 ILE 9 HG23 ILE 9 -3.795 -9.093 2.287 70 HD11 ILE 9 HD13 ILE 9 -4.288 -12.992 3.916 71 HD12 ILE 9 HD11 ILE 9 -3.316 -12.899 2.427 72 HD13 ILE 9 HD12 ILE 9 -2.764 -13.909 3.779 73 H ARG 10 H ARG 10 -4.661 -9.709 6.365 74 HA ARG 10 HA ARG 10 -3.644 -9.231 8.865 75 HB2 ARG 10 HB2 ARG 10 -5.741 -10.263 9.662 76 HB3 ARG 10 HB3 ARG 10 -5.965 -9.213 8.286 77 HG2 ARG 10 HG2 ARG 10 -7.374 -11.089 8.029 78 HG3 ARG 10 HG3 ARG 10 -6.170 -11.142 6.775 79 HD2 ARG 10 HD2 ARG 10 -5.032 -13.030 7.798 80 HD3 ARG 10 HD3 ARG 10 -5.915 -12.847 9.310 81 HE ARG 10 HE ARG 10 -7.581 -14.140 8.481 82 HH11 ARG 10 HH11 ARG 10 -5.984 -12.795 5.705 83 HH12 ARG 10 HH12 ARG 10 -6.958 -13.699 4.556 84 HH21 ARG 10 HH21 ARG 10 -8.794 -15.336 6.932 85 HH22 ARG 10 HH22 ARG 10 -8.445 -15.140 5.246 86 H GLN 11 H GLN 11 -1.699 -11.114 7.871 87 HA GLN 11 HA GLN 11 -1.259 -13.557 8.289 88 HB2 GLN 11 HB2 GLN 11 0.394 -12.017 8.097 89 HB3 GLN 11 HB3 GLN 11 0.184 -11.419 9.762 90 HG2 GLN 11 HG2 GLN 11 1.198 -13.369 10.686 91 HG3 GLN 11 HG3 GLN 11 0.993 -14.287 9.175 92 HE21 GLN 11 HE22 GLN 11 2.465 -14.061 7.530 93 HE22 GLN 11 HE21 GLN 11 3.894 -13.016 7.655 94 H GLY 12 H GLY 12 -2.449 -14.901 9.175 95 HA2 GLY 12 HA2 GLY 12 -2.507 -15.989 11.621 96 HA3 GLY 12 HA3 GLY 12 -3.500 -14.502 11.913 97 HA PRO 13 HA PRO 13 -6.303 -17.384 9.284 98 HB2 PRO 13 HB2 PRO 13 -5.263 -19.800 8.454 99 HB3 PRO 13 HB3 PRO 13 -5.225 -18.309 7.482 100 HG2 PRO 13 HG2 PRO 13 -2.999 -19.507 9.144 101 HG3 PRO 13 HG3 PRO 13 -2.904 -18.710 7.539 102 HD2 PRO 13 HD2 PRO 13 -2.294 -17.561 9.977 103 HD3 PRO 13 HD3 PRO 13 -2.749 -16.638 8.537 104 H LYS 14 H LYS 14 -3.776 -19.251 11.008 105 HA LYS 14 HA LYS 14 -3.740 -20.956 12.430 106 HB2 LYS 14 HB2 LYS 14 -6.107 -19.744 13.770 107 HB3 LYS 14 HB3 LYS 14 -4.714 -20.557 14.463 108 HG2 LYS 14 HG2 LYS 14 -3.358 -18.696 14.413 109 HG3 LYS 14 HG3 LYS 14 -4.258 -17.861 13.155 110 HD2 LYS 14 HD2 LYS 14 -5.548 -18.373 15.851 111 HD3 LYS 14 HD3 LYS 14 -4.440 -17.032 15.591 112 HE2 LYS 14 HE2 LYS 14 -6.652 -16.187 15.329 113 HE3 LYS 14 HE3 LYS 14 -5.838 -16.139 13.764 114 HZ1 LYS 14 HZ3 LYS 14 -7.113 -18.011 13.040 115 HZ2 LYS 14 HZ1 LYS 14 -7.744 -18.282 14.543 116 HZ3 LYS 14 HZ2 LYS 14 -8.164 -16.946 13.690 117 H GLU 15 H GLU 15 -7.029 -20.586 11.151 118 HA GLU 15 HA GLU 15 -7.510 -23.503 11.503 119 HB2 GLU 15 HB2 GLU 15 -8.275 -22.282 13.444 120 HB3 GLU 15 HB3 GLU 15 -9.115 -21.111 12.474 121 HG2 GLU 15 HG2 GLU 15 -10.086 -23.723 11.790 122 HG3 GLU 15 HG3 GLU 15 -10.036 -23.610 13.548 123 HA PRO 16 HA PRO 16 -10.010 -21.948 7.637 124 HB2 PRO 16 HB2 PRO 16 -9.428 -19.297 6.800 125 HB3 PRO 16 HB3 PRO 16 -10.909 -19.871 7.628 126 HG2 PRO 16 HG2 PRO 16 -8.421 -18.628 8.811 127 HG3 PRO 16 HG3 PRO 16 -10.139 -18.266 9.191 128 HD2 PRO 16 HD2 PRO 16 -8.743 -19.842 10.818 129 HD3 PRO 16 HD3 PRO 16 -10.390 -20.319 10.372 130 H PHE 17 H PHE 17 -8.184 -23.496 7.225 131 HA PHE 17 HA PHE 17 -5.722 -22.622 6.199 132 HB2 PHE 17 HB2 PHE 17 -7.121 -25.185 6.317 133 HB3 PHE 17 HB3 PHE 17 -6.304 -25.019 4.794 134 HD1 PHE 17 HD1 PHE 17 -5.009 -23.617 8.039 135 HD2 PHE 17 HD2 PHE 17 -4.660 -26.813 5.116 136 HE1 PHE 17 HE1 PHE 17 -2.755 -24.216 8.920 137 HE2 PHE 17 HE2 PHE 17 -2.426 -27.367 6.042 138 HZ PHE 17 HZ PHE 17 -1.479 -26.047 7.908 139 H ARG 18 H ARG 18 -8.429 -23.664 3.945 140 HA ARG 18 HA ARG 18 -6.714 -22.922 1.796 141 HB2 ARG 18 HB2 ARG 18 -8.469 -23.585 0.287 142 HB3 ARG 18 HB3 ARG 18 -8.140 -24.726 1.567 143 HG2 ARG 18 HG2 ARG 18 -10.429 -24.873 1.314 144 HG3 ARG 18 HG3 ARG 18 -10.188 -23.927 2.780 145 HD2 ARG 18 HD2 ARG 18 -11.900 -22.854 1.645 146 HD3 ARG 18 HD3 ARG 18 -10.487 -21.852 1.321 147 HE ARG 18 HE ARG 18 -10.601 -23.518 -0.876 148 HH11 ARG 18 HH11 ARG 18 -12.540 -21.004 0.662 149 HH12 ARG 18 HH12 ARG 18 -13.374 -20.616 -0.812 150 HH21 ARG 18 HH21 ARG 18 -11.693 -22.931 -2.764 151 HH22 ARG 18 HH22 ARG 18 -12.813 -21.603 -2.715 152 H ASP 19 H ASP 19 -9.353 -21.370 3.210 153 HA ASP 19 HA ASP 19 -9.798 -19.162 1.514 154 HB2 ASP 19 HB2 ASP 19 -10.253 -19.260 4.519 155 HB3 ASP 19 HB3 ASP 19 -11.183 -18.352 3.309 156 H TYR 20 H TYR 20 -7.132 -19.767 3.111 157 HA TYR 20 HA TYR 20 -6.059 -16.968 3.013 158 HB2 TYR 20 HB2 TYR 20 -6.393 -17.810 5.359 159 HB3 TYR 20 HB3 TYR 20 -5.328 -19.158 5.006 160 HD1 TYR 20 HD1 TYR 20 -2.886 -18.584 4.253 161 HD2 TYR 20 HD2 TYR 20 -5.521 -15.819 6.186 162 HE1 TYR 20 HE1 TYR 20 -0.921 -17.320 5.084 163 HE2 TYR 20 HE2 TYR 20 -3.568 -14.473 6.922 164 HH TYR 20 HH TYR 20 -0.161 -15.516 6.488 165 H VAL 21 H VAL 21 -5.348 -20.498 2.762 166 HA VAL 21 HA VAL 21 -2.717 -20.338 2.034 167 HB VAL 21 HB VAL 21 -4.237 -22.401 2.483 168 HG11 VAL 21 HG11 VAL 21 -4.133 -22.752 -0.491 169 HG12 VAL 21 HG12 VAL 21 -4.868 -23.811 0.721 170 HG13 VAL 21 HG13 VAL 21 -5.578 -22.231 0.286 171 HG21 VAL 21 HG23 VAL 21 -2.050 -22.686 0.431 172 HG22 VAL 21 HG21 VAL 21 -1.731 -22.296 2.105 173 HG23 VAL 21 HG22 VAL 21 -2.581 -23.796 1.758 174 H ASP 22 H ASP 22 -5.420 -20.236 -0.319 175 HA ASP 22 HA ASP 22 -3.965 -20.007 -2.704 176 HB2 ASP 22 HB2 ASP 22 -6.521 -18.994 -1.514 177 HB3 ASP 22 HB3 ASP 22 -6.093 -18.517 -3.127 178 H ARG 23 H ARG 23 -5.011 -17.646 -0.410 179 HA ARG 23 HA ARG 23 -4.218 -15.296 -1.936 180 HB2 ARG 23 HB2 ARG 23 -5.115 -14.742 0.814 181 HB3 ARG 23 HB3 ARG 23 -5.791 -14.266 -0.744 182 HG2 ARG 23 HG2 ARG 23 -6.374 -16.735 0.855 183 HG3 ARG 23 HG3 ARG 23 -7.411 -15.332 0.748 184 HD2 ARG 23 HD2 ARG 23 -6.638 -16.888 -1.707 185 HD3 ARG 23 HD3 ARG 23 -7.942 -17.474 -0.650 186 HE ARG 23 HE ARG 23 -8.479 -14.822 -1.477 187 HH11 ARG 23 HH11 ARG 23 -8.335 -18.136 -2.801 188 HH12 ARG 23 HH12 ARG 23 -9.157 -17.710 -4.241 189 HH21 ARG 23 HH21 ARG 23 -9.567 -14.366 -3.443 190 HH22 ARG 23 HH22 ARG 23 -9.843 -15.630 -4.607 191 H PHE 24 H PHE 24 -2.848 -17.158 0.471 192 HA PHE 24 HA PHE 24 -0.587 -15.424 1.139 193 HB2 PHE 24 HB2 PHE 24 -1.317 -17.075 2.730 194 HB3 PHE 24 HB3 PHE 24 -1.263 -18.367 1.550 195 HD1 PHE 24 HD1 PHE 24 1.300 -15.761 2.275 196 HD2 PHE 24 HD2 PHE 24 0.287 -19.900 2.485 197 HE1 PHE 24 HE1 PHE 24 3.679 -16.335 2.877 198 HE2 PHE 24 HE2 PHE 24 2.518 -20.396 3.494 199 HZ PHE 24 HZ PHE 24 4.272 -18.524 3.455 200 H TYR 25 H TYR 25 -0.962 -18.519 -0.733 201 HA TYR 25 HA TYR 25 1.618 -18.569 -1.758 202 HB2 TYR 25 HB2 TYR 25 -0.885 -19.966 -2.476 203 HB3 TYR 25 HB3 TYR 25 0.448 -20.003 -3.611 204 HD1 TYR 25 HD2 TYR 25 1.055 -19.978 0.113 205 HD2 TYR 25 HD1 TYR 25 0.863 -22.349 -3.487 206 HE1 TYR 25 HE2 TYR 25 2.225 -21.793 1.272 207 HE2 TYR 25 HE1 TYR 25 2.101 -24.187 -2.298 208 HH TYR 25 HH TYR 25 3.108 -23.907 1.134 209 H LYS 26 H LYS 26 -1.098 -16.813 -3.107 210 HA LYS 26 HA LYS 26 -0.145 -15.938 -5.529 211 HB2 LYS 26 HB2 LYS 26 -1.667 -14.137 -5.352 212 HB3 LYS 26 HB3 LYS 26 -2.344 -15.464 -4.414 213 HG2 LYS 26 HG2 LYS 26 -2.748 -13.822 -2.943 214 HG3 LYS 26 HG3 LYS 26 -1.114 -14.264 -2.398 215 HD2 LYS 26 HD2 LYS 26 -0.214 -12.382 -3.738 216 HD3 LYS 26 HD3 LYS 26 -1.835 -11.970 -4.268 217 HE2 LYS 26 HE2 LYS 26 -1.263 -10.443 -2.516 218 HE3 LYS 26 HE3 LYS 26 -2.508 -11.534 -1.895 219 HZ1 LYS 26 HZ3 LYS 26 -0.811 -12.743 -0.714 220 HZ2 LYS 26 HZ1 LYS 26 0.396 -11.821 -1.419 221 HZ3 LYS 26 HZ2 LYS 26 -0.620 -11.149 -0.335 222 H THR 27 H THR 27 1.388 -14.808 -2.449 223 HA THR 27 HA THR 27 3.263 -13.214 -4.101 224 HB THR 27 HB THR 27 2.242 -12.840 -1.256 225 HG1 THR 27 HG1 THR 27 2.311 -10.738 -2.947 226 HG21 THR 27 HG23 THR 27 4.508 -12.311 -1.259 227 HG22 THR 27 HG21 THR 27 4.431 -11.486 -2.827 228 HG23 THR 27 HG22 THR 27 3.656 -10.758 -1.385 229 H LEU 28 H LEU 28 2.822 -15.637 -1.512 230 HA LEU 28 HA LEU 28 5.391 -16.007 -0.484 231 HB2 LEU 28 HB2 LEU 28 3.400 -17.229 0.183 232 HB3 LEU 28 HB3 LEU 28 3.439 -18.102 -1.345 233 HG LEU 28 HG LEU 28 4.222 -19.210 0.766 234 HD11 LEU 28 HD11 LEU 28 5.942 -19.437 -1.727 235 HD12 LEU 28 HD12 LEU 28 5.773 -20.643 -0.441 236 HD13 LEU 28 HD13 LEU 28 4.384 -20.209 -1.442 237 HD21 LEU 28 HD23 LEU 28 6.840 -17.807 0.223 238 HD22 LEU 28 HD21 LEU 28 5.735 -17.442 1.553 239 HD23 LEU 28 HD22 LEU 28 6.486 -19.035 1.460 240 H ARG 29 H ARG 29 4.147 -17.166 -3.555 241 HA ARG 29 HA ARG 29 6.298 -18.449 -4.799 242 HB2 ARG 29 HB2 ARG 29 5.087 -17.895 -6.876 243 HB3 ARG 29 HB3 ARG 29 4.012 -18.410 -5.586 244 HG2 ARG 29 HG2 ARG 29 2.798 -16.570 -6.037 245 HG3 ARG 29 HG3 ARG 29 4.021 -15.675 -5.166 246 HD2 ARG 29 HD2 ARG 29 3.782 -14.473 -7.143 247 HD3 ARG 29 HD3 ARG 29 5.215 -15.465 -7.492 248 HE ARG 29 HE ARG 29 2.846 -16.876 -8.239 249 HH11 ARG 29 HH11 ARG 29 4.732 -14.195 -9.460 250 HH12 ARG 29 HH12 ARG 29 4.038 -14.304 -11.055 251 HH21 ARG 29 HH21 ARG 29 1.999 -16.978 -10.252 252 HH22 ARG 29 HH22 ARG 29 2.564 -15.919 -11.504 253 H ALA 30 H ALA 30 6.679 -15.351 -3.700 254 HA ALA 30 HA ALA 30 8.999 -14.917 -5.509 255 HB1 ALA 30 HB3 ALA 30 7.177 -13.348 -6.102 256 HB2 ALA 30 HB1 ALA 30 7.110 -12.788 -4.411 257 HB3 ALA 30 HB2 ALA 30 8.562 -12.499 -5.386 258 H GLU 31 H GLU 31 8.011 -15.518 -2.336 259 HA GLU 31 HA GLU 31 10.454 -14.293 -1.090 260 HB2 GLU 31 HB2 GLU 31 7.899 -15.497 0.055 261 HB3 GLU 31 HB3 GLU 31 9.285 -14.999 1.035 262 HG2 GLU 31 HG2 GLU 31 8.977 -12.698 0.532 263 HG3 GLU 31 HG3 GLU 31 7.891 -13.047 -0.816 264 H GLN 32 H GLN 32 8.590 -17.360 -1.243 265 HA GLN 32 HA GLN 32 11.042 -18.980 -0.688 266 HB2 GLN 32 HB2 GLN 32 8.060 -19.496 -0.827 267 HB3 GLN 32 HB3 GLN 32 9.141 -20.838 -1.099 268 HG2 GLN 32 HG2 GLN 32 9.414 -19.154 1.404 269 HG3 GLN 32 HG3 GLN 32 8.249 -20.475 1.288 270 HE21 GLN 32 HE22 GLN 32 11.754 -19.764 1.267 271 HE22 GLN 32 HE21 GLN 32 12.202 -21.454 1.517 272 H ALA 33 H ALA 33 9.259 -17.693 -3.325 273 HA ALA 33 HA ALA 33 8.964 -18.196 -5.516 274 HB1 ALA 33 HB3 ALA 33 11.324 -17.501 -5.470 275 HB2 ALA 33 HB1 ALA 33 11.814 -19.205 -5.319 276 HB3 ALA 33 HB2 ALA 33 10.977 -18.647 -6.778 277 H SER 34 H SER 34 8.461 -20.514 -3.510 278 HA SER 34 HA SER 34 8.384 -22.795 -5.446 279 HB2 SER 34 HB2 SER 34 9.060 -22.857 -2.475 280 HB3 SER 34 HB3 SER 34 9.053 -24.227 -3.594 281 HG SER 34 HG SER 34 10.802 -21.982 -3.547 282 H GLN 35 H GLN 35 6.390 -23.622 -5.686 283 HA GLN 35 HA GLN 35 4.226 -23.283 -3.700 284 HB2 GLN 35 HB2 GLN 35 3.837 -22.990 -6.087 285 HB3 GLN 35 HB3 GLN 35 4.459 -24.606 -6.442 286 HG2 GLN 35 HG2 GLN 35 2.509 -25.656 -5.493 287 HG3 GLN 35 HG3 GLN 35 1.968 -24.136 -4.766 288 HE21 GLN 35 HE22 GLN 35 2.725 -25.512 -8.086 289 HE22 GLN 35 HE21 GLN 35 1.375 -24.613 -8.788 290 H GLU 36 H GLU 36 6.810 -25.317 -3.921 291 HA GLU 36 HA GLU 36 5.694 -27.936 -3.722 292 HB2 GLU 36 HB2 GLU 36 7.916 -27.132 -4.663 293 HB3 GLU 36 HB3 GLU 36 8.479 -26.946 -3.000 294 HG2 GLU 36 HG2 GLU 36 8.000 -29.402 -2.652 295 HG3 GLU 36 HG3 GLU 36 7.586 -29.527 -4.371 296 H VAL 37 H VAL 37 5.598 -29.340 -2.084 297 HA VAL 37 HA VAL 37 4.712 -28.782 0.461 298 HB VAL 37 HB VAL 37 5.968 -31.176 -0.891 299 HG11 VAL 37 HG11 VAL 37 4.677 -31.299 1.849 300 HG12 VAL 37 HG12 VAL 37 5.095 -32.685 0.801 301 HG13 VAL 37 HG13 VAL 37 6.372 -31.681 1.445 302 HG21 VAL 37 HG23 VAL 37 3.115 -30.569 -0.019 303 HG22 VAL 37 HG21 VAL 37 3.743 -30.298 -1.656 304 HG23 VAL 37 HG22 VAL 37 3.661 -31.940 -1.019 305 H LYS 38 H LYS 38 8.055 -28.590 -0.372 306 HA LYS 38 HA LYS 38 9.052 -28.935 2.372 307 HB2 LYS 38 HB2 LYS 38 11.170 -28.100 1.491 308 HB3 LYS 38 HB3 LYS 38 10.539 -29.403 0.498 309 HG2 LYS 38 HG2 LYS 38 9.936 -27.946 -1.276 310 HG3 LYS 38 HG3 LYS 38 10.088 -26.494 -0.279 311 HD2 LYS 38 HD2 LYS 38 12.450 -26.634 -0.188 312 HD3 LYS 38 HD3 LYS 38 12.490 -28.281 -0.824 313 HE2 LYS 38 HE2 LYS 38 11.179 -26.196 -2.536 314 HE3 LYS 38 HE3 LYS 38 12.929 -26.042 -2.350 315 HZ1 LYS 38 HZ3 LYS 38 13.251 -28.101 -3.441 316 HZ2 LYS 38 HZ1 LYS 38 11.750 -28.656 -3.058 317 HZ3 LYS 38 HZ2 LYS 38 11.844 -27.616 -4.208 318 H ASN 39 H ASN 39 6.966 -26.688 1.406 319 HA ASN 39 HA ASN 39 8.038 -24.170 1.558 320 HB2 ASN 39 HB2 ASN 39 5.882 -23.374 1.822 321 HB3 ASN 39 HB3 ASN 39 5.858 -24.750 0.726 322 HD21 ASN 39 HD22 ASN 39 4.287 -23.264 2.972 323 HD22 ASN 39 HD21 ASN 39 3.234 -24.571 3.492 324 H ALA 40 H ALA 40 9.340 -23.279 2.928 325 HA ALA 40 HA ALA 40 8.750 -23.224 5.851 326 HB1 ALA 40 HB3 ALA 40 10.099 -25.241 5.348 327 HB2 ALA 40 HB1 ALA 40 11.343 -24.227 4.593 328 HB3 ALA 40 HB2 ALA 40 10.999 -24.091 6.339 329 H MET 41 H MET 41 10.979 -22.056 6.788 330 HA MET 41 HA MET 41 12.172 -20.154 7.107 331 HB2 MET 41 HB2 MET 41 12.518 -20.290 4.095 332 HB3 MET 41 HB3 MET 41 13.573 -19.454 5.234 333 HG2 MET 41 HG2 MET 41 14.136 -21.604 6.319 334 HG3 MET 41 HG3 MET 41 13.069 -22.453 5.197 335 HE1 MET 41 HE3 MET 41 15.783 -19.537 4.572 336 HE2 MET 41 HE1 MET 41 16.498 -20.688 5.727 337 HE3 MET 41 HE2 MET 41 17.143 -20.563 4.076 338 H THR 42 H THR 42 9.236 -19.616 5.928 339 HA THR 42 HA THR 42 9.498 -16.636 5.940 340 HB THR 42 HB THR 42 7.408 -16.738 4.389 341 HG1 THR 42 HG1 THR 42 8.553 -19.275 3.875 342 HG21 THR 42 HG23 THR 42 9.530 -15.915 3.545 343 HG22 THR 42 HG21 THR 42 10.121 -17.572 3.292 344 HG23 THR 42 HG22 THR 42 8.746 -16.946 2.342 345 H GLU 43 H GLU 43 6.765 -16.024 6.133 346 HA GLU 43 HA GLU 43 6.017 -16.849 8.793 347 HB2 GLU 43 HB2 GLU 43 3.947 -15.769 8.351 348 HB3 GLU 43 HB3 GLU 43 5.220 -14.817 7.588 349 HG2 GLU 43 HG2 GLU 43 3.811 -14.784 5.863 350 HG3 GLU 43 HG3 GLU 43 4.513 -16.335 5.448 351 H THR 44 H THR 44 5.752 -18.399 5.807 352 HA THR 44 HA THR 44 3.665 -19.656 5.314 353 HB THR 44 HB THR 44 5.629 -20.070 4.078 354 HG1 THR 44 HG1 THR 44 4.767 -22.569 4.950 355 HG21 THR 44 HG23 THR 44 7.220 -20.540 5.979 356 HG22 THR 44 HG21 THR 44 6.517 -22.165 6.084 357 HG23 THR 44 HG22 THR 44 7.297 -21.622 4.580 358 H LEU 45 H LEU 45 2.084 -20.254 6.348 359 HA LEU 45 HA LEU 45 2.249 -22.550 8.189 360 HB2 LEU 45 HB2 LEU 45 0.268 -21.214 9.235 361 HB3 LEU 45 HB3 LEU 45 1.964 -20.834 9.516 362 HG LEU 45 HG LEU 45 1.878 -18.865 8.216 363 HD11 LEU 45 HD11 LEU 45 -0.889 -19.709 7.381 364 HD12 LEU 45 HD12 LEU 45 -0.308 -18.018 7.308 365 HD13 LEU 45 HD13 LEU 45 0.508 -19.235 6.373 366 HD21 LEU 45 HD23 LEU 45 -0.556 -19.102 9.977 367 HD22 LEU 45 HD21 LEU 45 1.119 -18.772 10.495 368 HD23 LEU 45 HD22 LEU 45 0.277 -17.589 9.485 369 H LEU 46 H LEU 46 1.504 -22.677 5.263 370 HA LEU 46 HA LEU 46 -0.182 -24.868 5.390 371 HB2 LEU 46 HB2 LEU 46 -2.303 -24.037 4.325 372 HB3 LEU 46 HB3 LEU 46 -2.074 -23.739 5.993 373 HG LEU 46 HG LEU 46 -2.903 -21.959 4.058 374 HD11 LEU 46 HD11 LEU 46 -2.194 -21.365 6.910 375 HD12 LEU 46 HD12 LEU 46 -3.207 -20.370 5.843 376 HD13 LEU 46 HD13 LEU 46 -3.711 -22.002 6.306 377 HD21 LEU 46 HD23 LEU 46 -0.461 -20.703 5.230 378 HD22 LEU 46 HD21 LEU 46 -0.417 -21.478 3.658 379 HD23 LEU 46 HD22 LEU 46 -1.498 -20.113 3.938 380 H VAL 47 H VAL 47 -1.227 -25.425 3.068 381 HA VAL 47 HA VAL 47 0.581 -24.657 0.854 382 HB VAL 47 HB VAL 47 -0.200 -27.541 1.389 383 HG11 VAL 47 HG11 VAL 47 2.214 -26.427 -0.070 384 HG12 VAL 47 HG12 VAL 47 1.595 -28.079 -0.077 385 HG13 VAL 47 HG13 VAL 47 0.673 -26.778 -0.866 386 HG21 VAL 47 HG23 VAL 47 2.229 -26.155 2.508 387 HG22 VAL 47 HG21 VAL 47 0.982 -27.065 3.391 388 HG23 VAL 47 HG22 VAL 47 2.104 -27.911 2.319 389 H GLN 48 H GLN 48 -0.648 -24.254 -1.001 390 HA GLN 48 HA GLN 48 -3.400 -24.591 -1.278 391 HB2 GLN 48 HB2 GLN 48 -1.192 -24.410 -3.350 392 HB3 GLN 48 HB3 GLN 48 -2.889 -24.628 -3.811 393 HG2 GLN 48 HG2 GLN 48 -3.501 -22.667 -2.424 394 HG3 GLN 48 HG3 GLN 48 -1.796 -22.369 -2.114 395 HE21 GLN 48 HE22 GLN 48 -4.522 -21.783 -4.193 396 HE22 GLN 48 HE21 GLN 48 -3.572 -21.049 -5.503 397 H ASN 49 H ASN 49 -0.896 -26.815 -2.282 398 HA ASN 49 HA ASN 49 -2.405 -28.934 -3.353 399 HB2 ASN 49 HB2 ASN 49 0.082 -28.403 -3.541 400 HB3 ASN 49 HB3 ASN 49 0.269 -29.042 -1.899 401 HD21 ASN 49 HD22 ASN 49 0.921 -31.152 -1.872 402 HD22 ASN 49 HD21 ASN 49 0.478 -32.307 -3.123 403 H ALA 50 H ALA 50 -2.614 -27.973 -0.112 404 HA ALA 50 HA ALA 50 -2.687 -30.502 1.220 405 HB1 ALA 50 HB3 ALA 50 -2.509 -28.425 2.472 406 HB2 ALA 50 HB1 ALA 50 -4.039 -27.834 1.811 407 HB3 ALA 50 HB2 ALA 50 -4.028 -29.216 2.922 408 H ASN 51 H ASN 51 -4.432 -31.763 1.895 409 HA ASN 51 HA ASN 51 -6.498 -32.024 -0.211 410 HB2 ASN 51 HB2 ASN 51 -6.102 -34.322 -0.093 411 HB3 ASN 51 HB3 ASN 51 -4.506 -33.672 0.146 412 HD21 ASN 51 HD22 ASN 51 -5.603 -36.235 0.932 413 HD22 ASN 51 HD21 ASN 51 -5.861 -36.242 2.624 414 HA PRO 52 HA PRO 52 -9.847 -31.533 2.471 415 HB2 PRO 52 HB2 PRO 52 -11.498 -33.729 2.524 416 HB3 PRO 52 HB3 PRO 52 -11.305 -32.662 1.099 417 HG2 PRO 52 HG2 PRO 52 -9.961 -35.314 1.646 418 HG3 PRO 52 HG3 PRO 52 -10.720 -34.752 0.128 419 HD2 PRO 52 HD2 PRO 52 -8.046 -34.664 0.584 420 HD3 PRO 52 HD3 PRO 52 -8.855 -33.413 -0.415 421 H ASP 53 H ASP 53 -8.300 -34.655 3.201 422 HA ASP 53 HA ASP 53 -9.102 -34.899 5.887 423 HB2 ASP 53 HB2 ASP 53 -6.504 -35.924 4.726 424 HB3 ASP 53 HB3 ASP 53 -7.506 -36.650 5.981 425 H CYS 54 H CYS 54 -5.939 -33.566 4.624 426 HA CYS 54 HA CYS 54 -4.866 -32.626 7.078 427 HB2 CYS 54 HB2 CYS 54 -3.376 -32.387 5.296 428 HB3 CYS 54 HB3 CYS 54 -4.639 -31.747 4.199 429 HG CYS 54 HG CYS 54 -3.278 -30.216 6.802 430 H LYS 55 H LYS 55 -7.004 -30.886 4.825 431 HA LYS 55 HA LYS 55 -7.254 -28.472 6.355 432 HB2 LYS 55 HB2 LYS 55 -8.935 -29.928 4.307 433 HB3 LYS 55 HB3 LYS 55 -9.634 -28.597 5.204 434 HG2 LYS 55 HG2 LYS 55 -8.901 -27.359 3.465 435 HG3 LYS 55 HG3 LYS 55 -7.471 -27.252 4.468 436 HD2 LYS 55 HD2 LYS 55 -6.391 -29.052 2.991 437 HD3 LYS 55 HD3 LYS 55 -7.871 -29.023 2.016 438 HE2 LYS 55 HE2 LYS 55 -7.446 -26.385 2.074 439 HE3 LYS 55 HE3 LYS 55 -5.786 -26.850 2.383 440 HZ1 LYS 55 HZ3 LYS 55 -5.879 -28.140 0.268 441 HZ2 LYS 55 HZ1 LYS 55 -7.373 -27.622 -0.023 442 HZ3 LYS 55 HZ2 LYS 55 -6.093 -26.573 -0.004 443 H THR 56 H THR 56 -9.337 -31.391 6.460 444 HA THR 56 HA THR 56 -11.000 -30.447 8.586 445 HB THR 56 HB THR 56 -10.399 -33.310 7.758 446 HG1 THR 56 HG1 THR 56 -11.140 -32.373 6.011 447 HG21 THR 56 HG23 THR 56 -11.679 -33.305 9.835 448 HG22 THR 56 HG21 THR 56 -12.776 -32.056 9.200 449 HG23 THR 56 HG22 THR 56 -12.770 -33.689 8.497 450 H ILE 57 H ILE 57 -7.835 -31.777 8.564 451 HA ILE 57 HA ILE 57 -7.866 -32.672 11.395 452 HB ILE 57 HB ILE 57 -5.787 -32.591 9.218 453 HG12 ILE 57 HG12 ILE 57 -6.669 -34.934 10.951 454 HG13 ILE 57 HG13 ILE 57 -7.620 -34.419 9.560 455 HG21 ILE 57 HG21 ILE 57 -5.156 -33.331 12.097 456 HG22 ILE 57 HG22 ILE 57 -4.100 -33.585 10.688 457 HG23 ILE 57 HG23 ILE 57 -4.472 -31.961 11.194 458 HD11 ILE 57 HD13 ILE 57 -5.543 -34.581 8.148 459 HD12 ILE 57 HD11 ILE 57 -4.746 -35.381 9.518 460 HD13 ILE 57 HD12 ILE 57 -6.175 -36.126 8.762 461 H LEU 58 H LEU 58 -5.782 -30.157 9.729 462 HA LEU 58 HA LEU 58 -5.032 -29.123 12.278 463 HB2 LEU 58 HB2 LEU 58 -5.097 -27.592 9.620 464 HB3 LEU 58 HB3 LEU 58 -4.288 -27.101 11.105 465 HG LEU 58 HG LEU 58 -3.184 -29.528 10.896 466 HD11 LEU 58 HD11 LEU 58 -4.061 -28.894 8.119 467 HD12 LEU 58 HD12 LEU 58 -2.522 -29.814 8.402 468 HD13 LEU 58 HD13 LEU 58 -4.051 -30.427 9.018 469 HD21 LEU 58 HD23 LEU 58 -2.455 -26.820 9.876 470 HD22 LEU 58 HD21 LEU 58 -1.663 -27.866 11.065 471 HD23 LEU 58 HD22 LEU 58 -1.424 -28.160 9.327 472 H LYS 59 H LYS 59 -7.834 -28.512 10.374 473 HA LYS 59 HA LYS 59 -9.040 -26.302 11.593 474 HB2 LYS 59 HB2 LYS 59 -10.006 -28.902 10.554 475 HB3 LYS 59 HB3 LYS 59 -11.147 -28.017 11.547 476 HG2 LYS 59 HG2 LYS 59 -9.685 -26.502 9.377 477 HG3 LYS 59 HG3 LYS 59 -10.991 -27.593 8.927 478 HD2 LYS 59 HD2 LYS 59 -12.589 -26.403 10.312 479 HD3 LYS 59 HD3 LYS 59 -11.310 -25.473 11.101 480 HE2 LYS 59 HE2 LYS 59 -10.762 -24.361 8.980 481 HE3 LYS 59 HE3 LYS 59 -12.020 -25.288 8.138 482 HZ1 LYS 59 HZ3 LYS 59 -13.673 -24.200 9.569 483 HZ2 LYS 59 HZ1 LYS 59 -12.524 -23.434 10.409 484 HZ3 LYS 59 HZ2 LYS 59 -12.751 -23.017 8.860 485 H ALA 60 H ALA 60 -8.372 -29.310 13.184 486 HA ALA 60 HA ALA 60 -9.212 -28.080 15.784 487 HB1 ALA 60 HB3 ALA 60 -10.741 -29.895 15.094 488 HB2 ALA 60 HB1 ALA 60 -9.359 -31.014 14.987 489 HB3 ALA 60 HB2 ALA 60 -9.829 -30.324 16.557 490 H LEU 61 H LEU 61 -6.477 -28.858 14.080 491 HA LEU 61 HA LEU 61 -4.960 -29.606 16.526 492 HB2 LEU 61 HB2 LEU 61 -5.462 -31.200 14.272 493 HB3 LEU 61 HB3 LEU 61 -3.866 -30.608 13.980 494 HG LEU 61 HG LEU 61 -3.232 -31.329 16.369 495 HD11 LEU 61 HD11 LEU 61 -5.894 -32.812 16.190 496 HD12 LEU 61 HD12 LEU 61 -4.649 -33.060 17.435 497 HD13 LEU 61 HD13 LEU 61 -5.515 -31.524 17.344 498 HD21 LEU 61 HD23 LEU 61 -4.176 -33.481 14.435 499 HD22 LEU 61 HD21 LEU 61 -2.584 -32.692 14.467 500 HD23 LEU 61 HD22 LEU 61 -3.064 -33.742 15.798 501 H GLY 62 H GLY 62 -5.205 -26.912 15.732 502 HA2 GLY 62 HA2 GLY 62 -2.379 -26.212 15.016 503 HA3 GLY 62 HA3 GLY 62 -3.764 -25.134 14.959 504 HA PRO 63 HA PRO 63 -2.626 -25.027 19.587 505 HB2 PRO 63 HB2 PRO 63 -1.054 -26.813 20.852 506 HB3 PRO 63 HB3 PRO 63 -2.707 -27.258 20.344 507 HG2 PRO 63 HG2 PRO 63 -0.121 -27.764 18.826 508 HG3 PRO 63 HG3 PRO 63 -1.370 -28.967 19.287 509 HD2 PRO 63 HD2 PRO 63 -1.347 -27.751 16.840 510 HD3 PRO 63 HD3 PRO 63 -2.873 -28.172 17.686 511 H ALA 64 H ALA 64 -1.311 -23.841 17.484 512 HA ALA 64 HA ALA 64 0.369 -22.474 16.896 513 HB1 ALA 64 HB3 ALA 64 -0.458 -21.488 19.000 514 HB2 ALA 64 HB1 ALA 64 0.834 -22.333 19.889 515 HB3 ALA 64 HB2 ALA 64 1.245 -21.095 18.690 516 H ALA 65 H ALA 65 1.491 -25.436 17.862 517 HA ALA 65 HA ALA 65 4.129 -24.753 16.575 518 HB1 ALA 65 HB3 ALA 65 4.472 -25.114 18.989 519 HB2 ALA 65 HB1 ALA 65 3.668 -26.698 18.887 520 HB3 ALA 65 HB2 ALA 65 5.201 -26.412 18.027 521 H THR 66 H THR 66 2.137 -27.701 17.373 522 HA THR 66 HA THR 66 3.217 -29.354 15.542 523 HB THR 66 HB THR 66 0.226 -29.502 15.870 524 HG1 THR 66 HG1 THR 66 0.835 -30.556 17.910 525 HG21 THR 66 HG23 THR 66 1.386 -31.373 14.731 526 HG22 THR 66 HG21 THR 66 2.477 -31.554 16.111 527 HG23 THR 66 HG22 THR 66 0.736 -31.898 16.282 528 H LEU 67 H LEU 67 1.292 -26.690 14.473 529 HA LEU 67 HA LEU 67 0.267 -27.648 12.004 530 HB2 LEU 67 HB2 LEU 67 -0.091 -25.541 13.196 531 HB3 LEU 67 HB3 LEU 67 1.480 -24.962 12.681 532 HG LEU 67 HG LEU 67 -1.112 -25.261 11.118 533 HD11 LEU 67 HD11 LEU 67 1.144 -23.225 11.179 534 HD12 LEU 67 HD12 LEU 67 -0.458 -23.023 10.410 535 HD13 LEU 67 HD13 LEU 67 -0.326 -23.134 12.180 536 HD21 LEU 67 HD23 LEU 67 1.595 -25.301 9.779 537 HD22 LEU 67 HD21 LEU 67 0.282 -26.516 9.687 538 HD23 LEU 67 HD22 LEU 67 0.054 -24.909 8.997 539 H GLU 68 H GLU 68 3.483 -26.271 12.754 540 HA GLU 68 HA GLU 68 4.701 -26.249 10.322 541 HB2 GLU 68 HB2 GLU 68 5.888 -27.422 12.909 542 HB3 GLU 68 HB3 GLU 68 6.848 -26.842 11.523 543 HG2 GLU 68 HG2 GLU 68 5.841 -24.589 11.861 544 HG3 GLU 68 HG3 GLU 68 4.985 -25.240 13.257 545 H GLU 69 H GLU 69 4.208 -29.246 12.133 546 HA GLU 69 HA GLU 69 5.396 -30.890 9.947 547 HB2 GLU 69 HB2 GLU 69 4.910 -32.832 11.146 548 HB3 GLU 69 HB3 GLU 69 5.374 -31.636 12.343 549 HG2 GLU 69 HG2 GLU 69 3.557 -32.186 13.515 550 HG3 GLU 69 HG3 GLU 69 2.604 -31.404 12.287 551 H MET 70 H MET 70 2.157 -29.889 10.918 552 HA MET 70 HA MET 70 0.637 -31.732 9.315 553 HB2 MET 70 HB2 MET 70 0.020 -29.141 10.540 554 HB3 MET 70 HB3 MET 70 -1.158 -30.317 9.889 555 HG2 MET 70 HG2 MET 70 0.596 -31.366 11.958 556 HG3 MET 70 HG3 MET 70 -0.448 -30.019 12.452 557 HE1 MET 70 HE3 MET 70 -0.399 -33.470 10.525 558 HE2 MET 70 HE1 MET 70 -0.139 -33.777 12.252 559 HE3 MET 70 HE2 MET 70 -1.623 -34.350 11.471 560 H MET 71 H MET 71 2.016 -28.665 8.705 561 HA MET 71 HA MET 71 0.806 -27.826 6.239 562 HB2 MET 71 HB2 MET 71 2.244 -26.408 7.621 563 HB3 MET 71 HB3 MET 71 3.631 -27.438 7.346 564 HG2 MET 71 HG2 MET 71 3.874 -26.654 5.052 565 HG3 MET 71 HG3 MET 71 2.228 -26.055 5.015 566 HE1 MET 71 HE3 MET 71 4.796 -25.476 8.054 567 HE2 MET 71 HE1 MET 71 5.765 -25.641 6.574 568 HE3 MET 71 HE2 MET 71 5.661 -24.072 7.402 569 H THR 72 H THR 72 3.772 -29.813 6.818 570 HA THR 72 HA THR 72 4.012 -30.634 4.032 571 HB THR 72 HB THR 72 5.061 -31.902 6.559 572 HG1 THR 72 HG1 THR 72 6.295 -29.944 4.892 573 HG21 THR 72 HG23 THR 72 5.475 -33.304 4.540 574 HG22 THR 72 HG21 THR 72 6.246 -31.911 3.745 575 HG23 THR 72 HG22 THR 72 6.980 -32.637 5.186 576 H ALA 73 H ALA 73 2.489 -32.127 6.982 577 HA ALA 73 HA ALA 73 2.440 -34.757 5.994 578 HB1 ALA 73 HB3 ALA 73 1.987 -34.064 8.337 579 HB2 ALA 73 HB1 ALA 73 0.414 -33.408 7.829 580 HB3 ALA 73 HB2 ALA 73 0.733 -35.149 7.711 581 H CYS 74 H CYS 74 0.308 -32.100 5.338 582 HA CYS 74 HA CYS 74 -1.900 -33.291 4.164 583 HB2 CYS 74 HB2 CYS 74 -2.370 -31.190 3.332 584 HB3 CYS 74 HB3 CYS 74 -1.268 -30.804 4.668 585 HG CYS 74 HG CYS 74 0.778 -30.213 3.300 586 H GLN 75 H GLN 75 1.283 -33.334 2.795 587 HA GLN 75 HA GLN 75 0.649 -33.530 0.032 588 HB2 GLN 75 HB2 GLN 75 2.952 -33.935 -0.155 589 HB3 GLN 75 HB3 GLN 75 2.754 -32.904 1.277 590 HG2 GLN 75 HG2 GLN 75 4.080 -34.298 2.366 591 HG3 GLN 75 HG3 GLN 75 2.768 -35.449 2.388 592 HE21 GLN 75 HE22 GLN 75 2.830 -36.503 -0.303 593 HE22 GLN 75 HE21 GLN 75 4.473 -37.097 -0.572 594 H GLY 76 H GLY 76 0.149 -35.808 2.445 595 HA2 GLY 76 HA2 GLY 76 -0.390 -38.028 0.609 596 HA3 GLY 76 HA3 GLY 76 1.060 -38.244 1.603 597 H VAL 77 H VAL 77 -0.732 -36.493 3.638 598 HA VAL 77 HA VAL 77 -1.403 -38.435 5.449 599 HB VAL 77 HB VAL 77 -1.478 -36.023 5.899 600 HG11 VAL 77 HG11 VAL 77 -4.274 -36.031 4.733 601 HG12 VAL 77 HG12 VAL 77 -3.434 -34.685 5.498 602 HG13 VAL 77 HG13 VAL 77 -2.863 -35.313 3.936 603 HG21 VAL 77 HG23 VAL 77 -4.032 -37.381 6.809 604 HG22 VAL 77 HG21 VAL 77 -2.425 -37.625 7.524 605 HG23 VAL 77 HG22 VAL 77 -3.186 -36.027 7.581 606 H GLY 78 H GLY 78 -3.634 -37.539 2.817 607 HA2 GLY 78 HA2 GLY 78 -5.163 -40.070 3.352 608 HA3 GLY 78 HA3 GLY 78 -5.933 -38.602 2.748 609 H GLY 79 H GLY 79 -2.735 -39.539 1.668 610 HA2 GLY 79 HA2 GLY 79 -3.170 -39.124 -1.062 611 HA3 GLY 79 HA3 GLY 79 -1.835 -40.044 -0.364 612 HA PRO 80 HA PRO 80 -3.919 -43.760 -1.941 613 HB2 PRO 80 HB2 PRO 80 -4.206 -45.625 0.016 614 HB3 PRO 80 HB3 PRO 80 -2.607 -45.093 -0.573 615 HG2 PRO 80 HG2 PRO 80 -4.094 -44.102 1.879 616 HG3 PRO 80 HG3 PRO 80 -2.392 -44.657 1.767 617 HD2 PRO 80 HD2 PRO 80 -3.097 -42.032 1.669 618 HD3 PRO 80 HD3 PRO 80 -1.713 -42.657 0.729 619 H GLY 81 H GLY 81 -5.636 -41.972 -2.061 620 HA2 GLY 81 HA2 GLY 81 -7.897 -41.863 -0.385 621 HA3 GLY 81 HA3 GLY 81 -7.762 -41.174 -2.000 622 H HIS 82 H HIS 82 -7.912 -44.476 -0.717 623 HA HIS 82 HA HIS 82 -9.006 -45.993 -2.620 624 HB2 HIS 82 HB2 HIS 82 -9.731 -47.485 -0.922 625 HB3 HIS 82 HB3 HIS 82 -8.324 -46.646 -0.276 626 HD2 HIS 82 HD2 HIS 82 -9.324 -44.190 1.194 627 HE1 HIS 82 HE1 HIS 82 -12.525 -46.463 2.842 628 HE2 HIS 82 HE2 HIS 82 -11.129 -44.339 3.099 629 H LYS 83 H LYS 83 -11.093 -43.842 -0.688 630 HA LYS 83 HA LYS 83 -13.542 -44.896 -1.564 631 HB2 LYS 83 HB2 LYS 83 -13.171 -43.245 0.323 632 HB3 LYS 83 HB3 LYS 83 -13.033 -41.968 -0.878 633 HG2 LYS 83 HG2 LYS 83 -15.501 -43.475 -1.366 634 HG3 LYS 83 HG3 LYS 83 -15.379 -43.144 0.337 635 HD2 LYS 83 HD2 LYS 83 -16.685 -41.418 -0.773 636 HD3 LYS 83 HD3 LYS 83 -15.235 -40.762 -0.033 637 HE2 LYS 83 HE2 LYS 83 -15.499 -39.632 -2.105 638 HE3 LYS 83 HE3 LYS 83 -14.126 -40.720 -2.280 639 HZ1 LYS 83 HZ3 LYS 83 -15.604 -42.266 -3.460 640 HZ2 LYS 83 HZ1 LYS 83 -16.836 -41.160 -3.430 641 HZ3 LYS 83 HZ2 LYS 83 -15.390 -40.867 -4.213 642 H ALA 84 H ALA 84 -11.289 -43.033 -3.342 643 HA ALA 84 HA ALA 84 -11.176 -42.411 -5.512 644 HB1 ALA 84 HB3 ALA 84 -13.011 -44.073 -6.044 645 HB2 ALA 84 HB1 ALA 84 -14.148 -42.701 -5.965 646 HB3 ALA 84 HB2 ALA 84 -12.832 -42.704 -7.136 647 H ARG 85 H ARG 85 -10.476 -40.438 -5.220 648 HA ARG 85 HA ARG 85 -12.280 -38.261 -5.733 649 HB2 ARG 85 HB2 ARG 85 -12.148 -38.474 -3.108 650 HB3 ARG 85 HB3 ARG 85 -10.549 -37.737 -3.293 651 HG2 ARG 85 HG2 ARG 85 -11.716 -35.867 -4.635 652 HG3 ARG 85 HG3 ARG 85 -13.251 -36.619 -4.205 653 HD2 ARG 85 HD2 ARG 85 -12.822 -36.214 -1.837 654 HD3 ARG 85 HD3 ARG 85 -11.193 -35.612 -2.203 655 HE ARG 85 HE ARG 85 -12.570 -33.915 -3.698 656 HH11 ARG 85 HH11 ARG 85 -13.310 -34.832 -0.413 657 HH12 ARG 85 HH12 ARG 85 -14.113 -33.333 -0.051 658 HH21 ARG 85 HH21 ARG 85 -13.616 -31.996 -3.202 659 HH22 ARG 85 HH22 ARG 85 -14.310 -31.771 -1.627 660 H VAL 86 H VAL 86 -10.274 -39.568 -7.061 661 HA VAL 86 HA VAL 86 -8.882 -37.286 -8.219 662 HB VAL 86 HB VAL 86 -7.232 -38.272 -6.602 663 HG11 VAL 86 HG11 VAL 86 -7.121 -40.643 -8.502 664 HG12 VAL 86 HG12 VAL 86 -6.075 -40.341 -7.104 665 HG13 VAL 86 HG13 VAL 86 -7.799 -40.671 -6.860 666 HG21 VAL 86 HG23 VAL 86 -6.301 -38.429 -9.483 667 HG22 VAL 86 HG21 VAL 86 -6.524 -36.933 -8.551 668 HG23 VAL 86 HG22 VAL 86 -5.324 -38.131 -8.036 669 H LEU 87 H LEU 87 -11.005 -39.262 -8.440 670 HA LEU 87 HA LEU 87 -11.723 -39.954 -10.938 671 HB2 LEU 87 HB2 LEU 87 -9.711 -41.446 -11.013 672 HB3 LEU 87 HB3 LEU 87 -10.179 -42.153 -9.465 673 HG LEU 87 HG LEU 87 -12.189 -43.160 -10.517 674 HD11 LEU 87 HD11 LEU 87 -11.047 -41.960 -13.086 675 HD12 LEU 87 HD12 LEU 87 -12.353 -43.175 -13.007 676 HD13 LEU 87 HD13 LEU 87 -12.609 -41.565 -12.329 677 HD21 LEU 87 HD23 LEU 87 -9.571 -43.716 -11.960 678 HD22 LEU 87 HD21 LEU 87 -10.083 -44.399 -10.400 679 HD23 LEU 87 HD22 LEU 87 -10.974 -44.808 -11.875 Start of MODEL 13 1 H1 MET 1 H1 MET 1 0.613 -3.723 -1.591 2 H2 MET 1 H2 MET 1 -0.860 -4.305 -1.316 3 H3 MET 1 H3 MET 1 -0.698 -2.918 -2.246 4 HA MET 1 HA MET 1 0.242 -5.632 -2.877 5 HB2 MET 1 HB2 MET 1 -2.045 -4.053 -4.116 6 HB3 MET 1 HB3 MET 1 -1.383 -5.566 -4.754 7 HG2 MET 1 HG2 MET 1 -1.964 -6.707 -2.621 8 HG3 MET 1 HG3 MET 1 -2.686 -5.203 -2.033 9 HE1 MET 1 HE3 MET 1 -4.332 -7.773 -1.858 10 HE2 MET 1 HE1 MET 1 -4.961 -6.158 -1.468 11 HE3 MET 1 HE2 MET 1 -5.896 -7.242 -2.523 12 H SER 2 H SER 2 2.240 -5.341 -3.695 13 HA SER 2 HA SER 2 2.394 -4.350 -6.362 14 HB2 SER 2 HB2 SER 2 4.249 -2.624 -5.957 15 HB3 SER 2 HB3 SER 2 2.564 -2.149 -5.743 16 HG SER 2 HG SER 2 3.855 -1.413 -4.030 17 HA PRO 3 HA PRO 3 6.728 -5.944 -5.439 18 HB2 PRO 3 HB2 PRO 3 7.573 -6.902 -3.032 19 HB3 PRO 3 HB3 PRO 3 7.425 -5.151 -3.357 20 HG2 PRO 3 HG2 PRO 3 5.343 -6.958 -2.060 21 HG3 PRO 3 HG3 PRO 3 6.054 -5.452 -1.385 22 HD2 PRO 3 HD2 PRO 3 3.714 -5.437 -2.701 23 HD3 PRO 3 HD3 PRO 3 4.910 -4.130 -2.955 24 H THR 4 H THR 4 4.016 -7.623 -5.351 25 HA THR 4 HA THR 4 3.217 -9.724 -5.414 26 HB THR 4 HB THR 4 6.001 -10.473 -6.353 27 HG1 THR 4 HG1 THR 4 5.164 -9.045 -7.740 28 HG21 THR 4 HG23 THR 4 4.815 -12.544 -5.870 29 HG22 THR 4 HG21 THR 4 3.333 -11.919 -6.641 30 HG23 THR 4 HG22 THR 4 4.784 -12.266 -7.613 31 H SER 5 H SER 5 5.996 -9.455 -3.231 32 HA SER 5 HA SER 5 5.855 -11.877 -1.885 33 HB2 SER 5 HB2 SER 5 6.648 -10.693 0.109 34 HB3 SER 5 HB3 SER 5 7.521 -10.182 -1.350 35 HG SER 5 HG SER 5 5.238 -8.797 -0.389 36 H ILE 6 H ILE 6 4.258 -12.926 -1.048 37 HA ILE 6 HA ILE 6 1.660 -12.235 -0.921 38 HB ILE 6 HB ILE 6 1.193 -14.277 0.092 39 HG12 ILE 6 HG12 ILE 6 3.136 -15.548 1.381 40 HG13 ILE 6 HG13 ILE 6 3.793 -13.956 1.625 41 HG21 ILE 6 HG21 ILE 6 4.036 -14.763 -0.827 42 HG22 ILE 6 HG22 ILE 6 2.600 -15.777 -1.111 43 HG23 ILE 6 HG23 ILE 6 2.775 -14.246 -1.971 44 HD11 ILE 6 HD13 ILE 6 1.387 -13.451 2.722 45 HD12 ILE 6 HD11 ILE 6 1.293 -15.220 2.768 46 HD13 ILE 6 HD12 ILE 6 2.621 -14.353 3.581 47 H LEU 7 H LEU 7 3.872 -11.829 1.666 48 HA LEU 7 HA LEU 7 2.351 -11.393 3.892 49 HB2 LEU 7 HB2 LEU 7 4.187 -9.979 4.775 50 HB3 LEU 7 HB3 LEU 7 4.662 -11.521 4.088 51 HG LEU 7 HG LEU 7 5.486 -10.399 2.044 52 HD11 LEU 7 HD11 LEU 7 4.727 -7.832 3.496 53 HD12 LEU 7 HD12 LEU 7 5.904 -7.899 2.167 54 HD13 LEU 7 HD13 LEU 7 4.235 -8.352 1.865 55 HD21 LEU 7 HD23 LEU 7 6.618 -9.253 4.622 56 HD22 LEU 7 HD21 LEU 7 6.986 -10.857 3.950 57 HD23 LEU 7 HD22 LEU 7 7.468 -9.396 3.071 58 H ASP 8 H ASP 8 2.014 -9.519 1.276 59 HA ASP 8 HA ASP 8 1.099 -6.930 2.192 60 HB2 ASP 8 HB2 ASP 8 1.838 -7.936 -0.151 61 HB3 ASP 8 HB3 ASP 8 0.168 -8.449 -0.272 62 H ILE 9 H ILE 9 -0.307 -10.145 1.967 63 HA ILE 9 HA ILE 9 -2.846 -9.249 3.220 64 HB ILE 9 HB ILE 9 -4.057 -10.861 1.844 65 HG12 ILE 9 HG12 ILE 9 -1.912 -11.268 -0.191 66 HG13 ILE 9 HG13 ILE 9 -1.614 -12.083 1.341 67 HG21 ILE 9 HG21 ILE 9 -2.546 -8.919 0.077 68 HG22 ILE 9 HG22 ILE 9 -4.096 -9.727 -0.279 69 HG23 ILE 9 HG23 ILE 9 -3.978 -8.567 1.060 70 HD11 ILE 9 HD13 ILE 9 -3.765 -13.167 1.304 71 HD12 ILE 9 HD11 ILE 9 -4.162 -12.394 -0.256 72 HD13 ILE 9 HD12 ILE 9 -2.814 -13.559 -0.144 73 H ARG 10 H ARG 10 -0.531 -10.383 4.524 74 HA ARG 10 HA ARG 10 -0.997 -13.160 5.132 75 HB2 ARG 10 HB2 ARG 10 0.639 -12.939 6.883 76 HB3 ARG 10 HB3 ARG 10 1.183 -12.294 5.364 77 HG2 ARG 10 HG2 ARG 10 1.867 -10.476 6.503 78 HG3 ARG 10 HG3 ARG 10 0.168 -9.997 6.606 79 HD2 ARG 10 HD2 ARG 10 0.014 -11.387 8.732 80 HD3 ARG 10 HD3 ARG 10 1.731 -11.692 8.589 81 HE ARG 10 HE ARG 10 2.232 -9.473 9.163 82 HH11 ARG 10 HH11 ARG 10 -1.253 -9.781 8.913 83 HH12 ARG 10 HH12 ARG 10 -1.548 -8.315 9.805 84 HH21 ARG 10 HH21 ARG 10 1.807 -7.602 10.263 85 HH22 ARG 10 HH22 ARG 10 0.171 -7.104 10.570 86 H GLN 11 H GLN 11 -3.032 -13.530 5.583 87 HA GLN 11 HA GLN 11 -4.795 -12.314 7.334 88 HB2 GLN 11 HB2 GLN 11 -5.267 -14.158 5.705 89 HB3 GLN 11 HB3 GLN 11 -4.439 -15.267 6.794 90 HG2 GLN 11 HG2 GLN 11 -6.495 -15.790 7.484 91 HG3 GLN 11 HG3 GLN 11 -6.329 -14.400 8.517 92 HE21 GLN 11 HE22 GLN 11 -8.295 -13.286 8.531 93 HE22 GLN 11 HE21 GLN 11 -9.295 -13.077 7.097 94 H GLY 12 H GLY 12 -2.220 -14.717 8.259 95 HA2 GLY 12 HA2 GLY 12 -1.307 -14.632 10.491 96 HA3 GLY 12 HA3 GLY 12 -2.884 -14.170 11.128 97 HA PRO 13 HA PRO 13 -2.938 -18.785 9.400 98 HB2 PRO 13 HB2 PRO 13 -0.782 -20.318 10.077 99 HB3 PRO 13 HB3 PRO 13 -0.714 -19.141 8.733 100 HG2 PRO 13 HG2 PRO 13 0.061 -18.644 11.641 101 HG3 PRO 13 HG3 PRO 13 1.131 -18.496 10.230 102 HD2 PRO 13 HD2 PRO 13 -0.171 -16.340 11.169 103 HD3 PRO 13 HD3 PRO 13 -0.216 -16.569 9.388 104 H LYS 14 H LYS 14 -3.142 -17.540 12.215 105 HA LYS 14 HA LYS 14 -2.676 -19.028 14.480 106 HB2 LYS 14 HB2 LYS 14 -5.164 -17.489 13.731 107 HB3 LYS 14 HB3 LYS 14 -4.793 -18.081 15.368 108 HG2 LYS 14 HG2 LYS 14 -2.950 -16.597 15.592 109 HG3 LYS 14 HG3 LYS 14 -2.968 -16.169 13.878 110 HD2 LYS 14 HD2 LYS 14 -3.906 -14.421 15.413 111 HD3 LYS 14 HD3 LYS 14 -4.970 -14.877 14.091 112 HE2 LYS 14 HE2 LYS 14 -5.283 -16.283 16.749 113 HE3 LYS 14 HE3 LYS 14 -5.828 -14.612 16.630 114 HZ1 LYS 14 HZ3 LYS 14 -7.398 -15.226 14.935 115 HZ2 LYS 14 HZ1 LYS 14 -6.777 -16.743 14.769 116 HZ3 LYS 14 HZ2 LYS 14 -7.520 -16.426 16.089 117 H GLU 15 H GLU 15 -5.851 -19.317 12.996 118 HA GLU 15 HA GLU 15 -5.876 -22.258 13.336 119 HB2 GLU 15 HB2 GLU 15 -8.470 -20.927 13.851 120 HB3 GLU 15 HB3 GLU 15 -7.698 -22.288 14.623 121 HG2 GLU 15 HG2 GLU 15 -8.011 -20.800 16.319 122 HG3 GLU 15 HG3 GLU 15 -6.309 -20.561 15.946 123 HA PRO 16 HA PRO 16 -9.102 -20.801 10.094 124 HB2 PRO 16 HB2 PRO 16 -8.485 -18.923 8.238 125 HB3 PRO 16 HB3 PRO 16 -8.901 -18.489 9.920 126 HG2 PRO 16 HG2 PRO 16 -6.119 -18.856 8.744 127 HG3 PRO 16 HG3 PRO 16 -6.760 -17.432 9.633 128 HD2 PRO 16 HD2 PRO 16 -5.372 -19.389 10.885 129 HD3 PRO 16 HD3 PRO 16 -6.761 -18.575 11.674 130 H PHE 17 H PHE 17 -6.269 -22.294 9.611 131 HA PHE 17 HA PHE 17 -4.988 -22.590 7.526 132 HB2 PHE 17 HB2 PHE 17 -6.400 -24.665 9.030 133 HB3 PHE 17 HB3 PHE 17 -6.072 -25.191 7.403 134 HD1 PHE 17 HD1 PHE 17 -3.892 -22.957 9.530 135 HD2 PHE 17 HD2 PHE 17 -4.434 -26.878 7.732 136 HE1 PHE 17 HE1 PHE 17 -1.565 -23.555 10.085 137 HE2 PHE 17 HE2 PHE 17 -2.100 -27.428 8.287 138 HZ PHE 17 HZ PHE 17 -0.693 -25.792 9.513 139 H ARG 18 H ARG 18 -7.776 -24.481 6.661 140 HA ARG 18 HA ARG 18 -7.753 -24.420 3.946 141 HB2 ARG 18 HB2 ARG 18 -10.464 -24.313 4.362 142 HB3 ARG 18 HB3 ARG 18 -9.432 -25.705 4.470 143 HG2 ARG 18 HG2 ARG 18 -10.877 -25.785 6.339 144 HG3 ARG 18 HG3 ARG 18 -9.260 -25.453 6.946 145 HD2 ARG 18 HD2 ARG 18 -10.740 -24.126 8.218 146 HD3 ARG 18 HD3 ARG 18 -9.921 -23.034 7.097 147 HE ARG 18 HE ARG 18 -12.332 -23.840 5.871 148 HH11 ARG 18 HH11 ARG 18 -11.253 -21.705 8.461 149 HH12 ARG 18 HH12 ARG 18 -12.435 -20.527 7.959 150 HH21 ARG 18 HH21 ARG 18 -13.845 -22.256 5.501 151 HH22 ARG 18 HH22 ARG 18 -13.648 -20.769 6.369 152 H ASP 19 H ASP 19 -9.486 -22.032 5.764 153 HA ASP 19 HA ASP 19 -10.758 -20.484 3.813 154 HB2 ASP 19 HB2 ASP 19 -10.433 -20.380 6.550 155 HB3 ASP 19 HB3 ASP 19 -9.472 -19.008 6.113 156 H TYR 20 H TYR 20 -7.572 -20.018 5.229 157 HA TYR 20 HA TYR 20 -6.956 -17.774 3.397 158 HB2 TYR 20 HB2 TYR 20 -6.706 -17.282 5.680 159 HB3 TYR 20 HB3 TYR 20 -5.888 -18.806 6.019 160 HD1 TYR 20 HD1 TYR 20 -5.299 -15.958 3.566 161 HD2 TYR 20 HD2 TYR 20 -3.689 -18.551 6.635 162 HE1 TYR 20 HE1 TYR 20 -3.063 -14.969 3.224 163 HE2 TYR 20 HE2 TYR 20 -1.456 -17.494 6.325 164 HH TYR 20 HH TYR 20 -0.727 -15.256 3.740 165 H VAL 21 H VAL 21 -5.785 -21.065 4.062 166 HA VAL 21 HA VAL 21 -3.302 -20.899 2.745 167 HB VAL 21 HB VAL 21 -4.165 -22.865 4.106 168 HG11 VAL 21 HG11 VAL 21 -5.308 -23.837 1.475 169 HG12 VAL 21 HG12 VAL 21 -5.077 -24.786 2.964 170 HG13 VAL 21 HG13 VAL 21 -6.193 -23.422 2.937 171 HG21 VAL 21 HG23 VAL 21 -2.894 -23.718 1.496 172 HG22 VAL 21 HG21 VAL 21 -2.030 -22.732 2.660 173 HG23 VAL 21 HG22 VAL 21 -2.609 -24.320 3.154 174 H ASP 22 H ASP 22 -6.612 -21.353 1.285 175 HA ASP 22 HA ASP 22 -5.550 -21.606 -1.339 176 HB2 ASP 22 HB2 ASP 22 -8.149 -21.080 -0.048 177 HB3 ASP 22 HB3 ASP 22 -7.963 -20.308 -1.603 178 H ARG 23 H ARG 23 -6.647 -18.516 0.199 179 HA ARG 23 HA ARG 23 -5.936 -16.956 -1.992 180 HB2 ARG 23 HB2 ARG 23 -5.955 -16.007 0.948 181 HB3 ARG 23 HB3 ARG 23 -6.037 -14.955 -0.478 182 HG2 ARG 23 HG2 ARG 23 -8.282 -15.164 -0.315 183 HG3 ARG 23 HG3 ARG 23 -7.946 -16.777 -1.035 184 HD2 ARG 23 HD2 ARG 23 -9.215 -17.419 0.635 185 HD3 ARG 23 HD3 ARG 23 -7.602 -17.601 1.280 186 HE ARG 23 HE ARG 23 -8.027 -15.369 2.514 187 HH11 ARG 23 HH11 ARG 23 -10.467 -17.734 1.983 188 HH12 ARG 23 HH12 ARG 23 -11.379 -17.235 3.370 189 HH21 ARG 23 HH21 ARG 23 -9.214 -14.993 4.488 190 HH22 ARG 23 HH22 ARG 23 -10.672 -15.968 4.670 191 H PHE 24 H PHE 24 -4.004 -18.030 0.474 192 HA PHE 24 HA PHE 24 -1.586 -16.431 -0.286 193 HB2 PHE 24 HB2 PHE 24 -1.566 -16.980 1.990 194 HB3 PHE 24 HB3 PHE 24 -2.045 -18.650 1.697 195 HD1 PHE 24 HD1 PHE 24 0.781 -16.534 0.269 196 HD2 PHE 24 HD2 PHE 24 -0.389 -20.074 2.369 197 HE1 PHE 24 HE1 PHE 24 3.145 -17.372 0.223 198 HE2 PHE 24 HE2 PHE 24 1.941 -20.827 2.432 199 HZ PHE 24 HZ PHE 24 3.756 -19.484 1.258 200 H TYR 25 H TYR 25 -2.331 -20.024 -0.420 201 HA TYR 25 HA TYR 25 -0.012 -20.477 -1.903 202 HB2 TYR 25 HB2 TYR 25 -2.263 -22.217 -1.258 203 HB3 TYR 25 HB3 TYR 25 -1.405 -22.594 -2.713 204 HD1 TYR 25 HD1 TYR 25 -0.526 -21.882 0.938 205 HD2 TYR 25 HD2 TYR 25 0.388 -24.039 -2.688 206 HE1 TYR 25 HE1 TYR 25 1.082 -23.218 2.144 207 HE2 TYR 25 HE2 TYR 25 2.056 -25.409 -1.412 208 HH TYR 25 HH TYR 25 2.398 -25.233 2.127 209 H LYS 26 H LYS 26 -3.207 -19.541 -3.095 210 HA LYS 26 HA LYS 26 -3.015 -19.867 -5.833 211 HB2 LYS 26 HB2 LYS 26 -4.625 -18.127 -6.057 212 HB3 LYS 26 HB3 LYS 26 -4.923 -18.794 -4.458 213 HG2 LYS 26 HG2 LYS 26 -5.060 -16.658 -3.935 214 HG3 LYS 26 HG3 LYS 26 -3.338 -16.938 -3.620 215 HD2 LYS 26 HD2 LYS 26 -2.760 -15.814 -5.727 216 HD3 LYS 26 HD3 LYS 26 -4.485 -15.641 -6.129 217 HE2 LYS 26 HE2 LYS 26 -4.854 -14.190 -4.231 218 HE3 LYS 26 HE3 LYS 26 -3.277 -14.589 -3.544 219 HZ1 LYS 26 HZ3 LYS 26 -2.216 -13.519 -5.401 220 HZ2 LYS 26 HZ1 LYS 26 -3.662 -13.084 -6.072 221 HZ3 LYS 26 HZ2 LYS 26 -3.195 -12.448 -4.627 222 H THR 27 H THR 27 -0.923 -17.716 -4.014 223 HA THR 27 HA THR 27 0.113 -16.494 -6.549 224 HB THR 27 HB THR 27 -0.344 -15.435 -3.793 225 HG1 THR 27 HG1 THR 27 0.188 -13.860 -5.995 226 HG21 THR 27 HG23 THR 27 2.051 -15.332 -3.763 227 HG22 THR 27 HG21 THR 27 2.111 -14.609 -5.387 228 HG23 THR 27 HG22 THR 27 1.404 -13.707 -4.015 229 H LEU 28 H LEU 28 1.102 -17.769 -3.352 230 HA LEU 28 HA LEU 28 3.773 -18.217 -3.404 231 HB2 LEU 28 HB2 LEU 28 2.130 -18.932 -1.708 232 HB3 LEU 28 HB3 LEU 28 1.656 -20.218 -2.788 233 HG LEU 28 HG LEU 28 3.136 -20.685 -0.823 234 HD11 LEU 28 HD11 LEU 28 4.058 -21.968 -3.385 235 HD12 LEU 28 HD12 LEU 28 3.891 -22.668 -1.764 236 HD13 LEU 28 HD13 LEU 28 2.454 -22.258 -2.682 237 HD21 LEU 28 HD23 LEU 28 5.420 -20.017 -2.679 238 HD22 LEU 28 HD21 LEU 28 4.928 -19.040 -1.270 239 HD23 LEU 28 HD22 LEU 28 5.497 -20.700 -1.049 240 H ARG 29 H ARG 29 1.470 -20.332 -5.082 241 HA ARG 29 HA ARG 29 3.092 -22.355 -5.829 242 HB2 ARG 29 HB2 ARG 29 1.341 -23.047 -7.408 243 HB3 ARG 29 HB3 ARG 29 0.750 -22.542 -5.847 244 HG2 ARG 29 HG2 ARG 29 -0.724 -21.841 -7.622 245 HG3 ARG 29 HG3 ARG 29 -0.111 -20.452 -6.752 246 HD2 ARG 29 HD2 ARG 29 1.181 -21.304 -9.346 247 HD3 ARG 29 HD3 ARG 29 -0.329 -20.376 -9.320 248 HE ARG 29 HE ARG 29 1.695 -19.184 -7.616 249 HH11 ARG 29 HH11 ARG 29 0.627 -19.292 -10.930 250 HH12 ARG 29 HH12 ARG 29 1.291 -17.723 -11.305 251 HH21 ARG 29 HH21 ARG 29 2.522 -17.261 -8.111 252 HH22 ARG 29 HH22 ARG 29 2.456 -16.617 -9.742 253 H ALA 30 H ALA 30 4.327 -19.722 -6.942 254 HA ALA 30 HA ALA 30 5.094 -20.692 -9.657 255 HB1 ALA 30 HB3 ALA 30 4.775 -18.255 -9.418 256 HB2 ALA 30 HB1 ALA 30 5.915 -18.224 -8.047 257 HB3 ALA 30 HB2 ALA 30 6.487 -18.629 -9.676 258 H GLU 31 H GLU 31 6.088 -20.677 -6.272 259 HA GLU 31 HA GLU 31 8.381 -22.431 -6.934 260 HB2 GLU 31 HB2 GLU 31 9.783 -21.347 -5.302 261 HB3 GLU 31 HB3 GLU 31 9.288 -20.194 -6.545 262 HG2 GLU 31 HG2 GLU 31 7.539 -19.307 -4.965 263 HG3 GLU 31 HG3 GLU 31 8.136 -20.414 -3.724 264 H GLN 32 H GLN 32 9.032 -23.709 -5.020 265 HA GLN 32 HA GLN 32 8.548 -25.472 -3.791 266 HB2 GLN 32 HB2 GLN 32 8.452 -24.958 -1.650 267 HB3 GLN 32 HB3 GLN 32 8.615 -23.344 -2.267 268 HG2 GLN 32 HG2 GLN 32 6.963 -23.105 -0.610 269 HG3 GLN 32 HG3 GLN 32 6.036 -23.145 -2.082 270 HE21 GLN 32 HE22 GLN 32 7.504 -25.704 0.075 271 HE22 GLN 32 HE21 GLN 32 5.983 -26.552 0.310 272 H ALA 33 H ALA 33 5.838 -24.270 -5.255 273 HA ALA 33 HA ALA 33 3.582 -25.164 -4.518 274 HB1 ALA 33 HB3 ALA 33 4.238 -24.013 -6.669 275 HB2 ALA 33 HB1 ALA 33 4.521 -25.603 -7.379 276 HB3 ALA 33 HB2 ALA 33 2.890 -25.160 -6.840 277 H SER 34 H SER 34 5.811 -27.725 -5.179 278 HA SER 34 HA SER 34 3.837 -29.729 -6.015 279 HB2 SER 34 HB2 SER 34 6.205 -29.711 -6.812 280 HB3 SER 34 HB3 SER 34 6.733 -30.109 -5.163 281 HG SER 34 HG SER 34 5.451 -31.975 -5.296 282 H GLN 35 H GLN 35 2.838 -28.706 -3.712 283 HA GLN 35 HA GLN 35 2.472 -28.805 -1.441 284 HB2 GLN 35 HB2 GLN 35 1.048 -30.385 -2.676 285 HB3 GLN 35 HB3 GLN 35 2.234 -31.641 -2.471 286 HG2 GLN 35 HG2 GLN 35 1.507 -30.603 0.142 287 HG3 GLN 35 HG3 GLN 35 0.029 -30.832 -0.777 288 HE21 GLN 35 HE22 GLN 35 3.099 -32.547 -0.135 289 HE22 GLN 35 HE21 GLN 35 2.369 -34.081 0.288 290 H GLU 36 H GLU 36 5.237 -28.621 -1.764 291 HA GLU 36 HA GLU 36 6.606 -30.813 -0.502 292 HB2 GLU 36 HB2 GLU 36 7.761 -29.661 -2.183 293 HB3 GLU 36 HB3 GLU 36 7.485 -28.070 -1.440 294 HG2 GLU 36 HG2 GLU 36 8.984 -28.418 0.272 295 HG3 GLU 36 HG3 GLU 36 8.883 -30.176 0.173 296 H VAL 37 H VAL 37 6.839 -31.273 1.521 297 HA VAL 37 HA VAL 37 6.048 -29.980 3.829 298 HB VAL 37 HB VAL 37 8.289 -31.968 3.328 299 HG11 VAL 37 HG11 VAL 37 6.980 -31.353 6.007 300 HG12 VAL 37 HG12 VAL 37 8.091 -32.689 5.677 301 HG13 VAL 37 HG13 VAL 37 8.674 -31.026 5.577 302 HG21 VAL 37 HG23 VAL 37 5.410 -32.355 4.258 303 HG22 VAL 37 HG21 VAL 37 6.040 -32.766 2.651 304 HG23 VAL 37 HG22 VAL 37 6.616 -33.640 4.073 305 H LYS 38 H LYS 38 9.133 -29.350 2.160 306 HA LYS 38 HA LYS 38 10.305 -27.766 4.332 307 HB2 LYS 38 HB2 LYS 38 10.979 -28.147 1.389 308 HB3 LYS 38 HB3 LYS 38 11.789 -26.960 2.364 309 HG2 LYS 38 HG2 LYS 38 13.262 -28.653 2.468 310 HG3 LYS 38 HG3 LYS 38 12.422 -28.754 4.002 311 HD2 LYS 38 HD2 LYS 38 12.946 -30.947 3.020 312 HD3 LYS 38 HD3 LYS 38 11.223 -30.730 3.297 313 HE2 LYS 38 HE2 LYS 38 11.861 -31.899 1.139 314 HE3 LYS 38 HE3 LYS 38 10.738 -30.563 1.003 315 HZ1 LYS 38 HZ3 LYS 38 12.459 -29.151 0.161 316 HZ2 LYS 38 HZ1 LYS 38 13.617 -30.361 0.284 317 HZ3 LYS 38 HZ2 LYS 38 12.274 -30.420 -0.717 318 H ASN 39 H ASN 39 7.576 -27.012 3.607 319 HA ASN 39 HA ASN 39 7.317 -24.740 1.942 320 HB2 ASN 39 HB2 ASN 39 5.149 -24.983 2.380 321 HB3 ASN 39 HB3 ASN 39 5.629 -26.482 3.089 322 HD21 ASN 39 HD22 ASN 39 3.537 -24.297 3.597 323 HD22 ASN 39 HD21 ASN 39 3.726 -24.045 5.350 324 H ALA 40 H ALA 40 7.840 -24.731 5.482 325 HA ALA 40 HA ALA 40 8.125 -22.016 5.829 326 HB1 ALA 40 HB3 ALA 40 7.878 -23.722 7.591 327 HB2 ALA 40 HB1 ALA 40 9.549 -24.274 7.308 328 HB3 ALA 40 HB2 ALA 40 9.238 -22.639 7.931 329 H MET 41 H MET 41 10.219 -23.513 3.685 330 HA MET 41 HA MET 41 12.629 -21.930 4.316 331 HB2 MET 41 HB2 MET 41 11.722 -23.395 1.798 332 HB3 MET 41 HB3 MET 41 13.213 -22.450 1.916 333 HG2 MET 41 HG2 MET 41 13.945 -23.860 3.840 334 HG3 MET 41 HG3 MET 41 12.494 -24.840 3.654 335 HE1 MET 41 HE3 MET 41 14.987 -23.374 0.844 336 HE2 MET 41 HE1 MET 41 15.996 -23.858 2.229 337 HE3 MET 41 HE2 MET 41 16.080 -24.762 0.699 338 H THR 42 H THR 42 9.609 -21.495 2.560 339 HA THR 42 HA THR 42 10.207 -18.628 2.048 340 HB THR 42 HB THR 42 7.533 -19.231 1.242 341 HG1 THR 42 HG1 THR 42 8.044 -20.847 -0.325 342 HG21 THR 42 HG23 THR 42 9.186 -17.744 0.115 343 HG22 THR 42 HG21 THR 42 10.093 -19.186 -0.400 344 HG23 THR 42 HG22 THR 42 8.443 -18.902 -0.998 345 H GLU 43 H GLU 43 7.798 -17.389 2.634 346 HA GLU 43 HA GLU 43 7.610 -17.494 5.506 347 HB2 GLU 43 HB2 GLU 43 5.910 -15.881 5.310 348 HB3 GLU 43 HB3 GLU 43 6.904 -15.616 3.895 349 HG2 GLU 43 HG2 GLU 43 4.846 -15.470 3.006 350 HG3 GLU 43 HG3 GLU 43 5.167 -17.164 2.672 351 H THR 44 H THR 44 6.250 -19.463 3.113 352 HA THR 44 HA THR 44 3.831 -20.196 3.508 353 HB THR 44 HB THR 44 5.666 -22.537 3.300 354 HG1 THR 44 HG1 THR 44 6.865 -21.447 2.027 355 HG21 THR 44 HG23 THR 44 3.220 -22.714 2.662 356 HG22 THR 44 HG21 THR 44 3.613 -21.691 1.265 357 HG23 THR 44 HG22 THR 44 4.405 -23.222 1.426 358 H LEU 45 H LEU 45 2.593 -20.546 5.106 359 HA LEU 45 HA LEU 45 3.558 -21.981 7.471 360 HB2 LEU 45 HB2 LEU 45 1.281 -20.436 8.127 361 HB3 LEU 45 HB3 LEU 45 2.959 -20.248 8.556 362 HG LEU 45 HG LEU 45 3.216 -18.882 6.362 363 HD11 LEU 45 HD11 LEU 45 0.197 -19.009 6.594 364 HD12 LEU 45 HD12 LEU 45 1.058 -17.649 5.812 365 HD13 LEU 45 HD13 LEU 45 1.228 -19.243 5.153 366 HD21 LEU 45 HD23 LEU 45 1.443 -17.540 8.346 367 HD22 LEU 45 HD21 LEU 45 3.141 -17.983 8.736 368 HD23 LEU 45 HD22 LEU 45 2.772 -16.894 7.403 369 H LEU 46 H LEU 46 1.853 -23.131 5.062 370 HA LEU 46 HA LEU 46 0.408 -25.163 6.455 371 HB2 LEU 46 HB2 LEU 46 -1.907 -24.390 5.642 372 HB3 LEU 46 HB3 LEU 46 -1.227 -23.791 7.095 373 HG LEU 46 HG LEU 46 -2.463 -22.341 5.144 374 HD11 LEU 46 HD11 LEU 46 -0.746 -21.308 7.367 375 HD12 LEU 46 HD12 LEU 46 -2.009 -20.401 6.506 376 HD13 LEU 46 HD13 LEU 46 -2.434 -21.826 7.480 377 HD21 LEU 46 HD23 LEU 46 0.307 -21.190 5.097 378 HD22 LEU 46 HD21 LEU 46 -0.311 -22.149 3.761 379 HD23 LEU 46 HD22 LEU 46 -1.133 -20.652 4.255 380 H VAL 47 H VAL 47 -1.444 -26.053 4.608 381 HA VAL 47 HA VAL 47 -0.126 -26.319 1.970 382 HB VAL 47 HB VAL 47 -1.291 -28.760 3.354 383 HG11 VAL 47 HG11 VAL 47 0.926 -28.401 1.319 384 HG12 VAL 47 HG12 VAL 47 0.167 -29.932 1.847 385 HG13 VAL 47 HG13 VAL 47 -0.772 -28.750 0.926 386 HG21 VAL 47 HG23 VAL 47 1.583 -27.895 3.725 387 HG22 VAL 47 HG21 VAL 47 0.335 -28.162 4.982 388 HG23 VAL 47 HG22 VAL 47 0.932 -29.521 4.038 389 H GLN 48 H GLN 48 -1.715 -26.054 0.372 390 HA GLN 48 HA GLN 48 -4.480 -25.932 0.795 391 HB2 GLN 48 HB2 GLN 48 -2.879 -26.647 -1.679 392 HB3 GLN 48 HB3 GLN 48 -4.651 -26.567 -1.674 393 HG2 GLN 48 HG2 GLN 48 -4.541 -24.253 -0.758 394 HG3 GLN 48 HG3 GLN 48 -2.792 -24.329 -0.876 395 HE21 GLN 48 HE22 GLN 48 -5.735 -23.648 -2.549 396 HE22 GLN 48 HE21 GLN 48 -5.054 -23.500 -4.163 397 H ASN 49 H ASN 49 -2.551 -28.789 -0.081 398 HA ASN 49 HA ASN 49 -4.793 -30.586 -0.178 399 HB2 ASN 49 HB2 ASN 49 -2.497 -30.727 -1.422 400 HB3 ASN 49 HB3 ASN 49 -1.904 -31.448 0.093 401 HD21 ASN 49 HD22 ASN 49 -1.720 -33.675 -0.457 402 HD22 ASN 49 HD21 ASN 49 -3.192 -34.546 -0.970 403 H ALA 50 H ALA 50 -4.476 -29.155 2.414 404 HA ALA 50 HA ALA 50 -3.997 -31.019 4.507 405 HB1 ALA 50 HB3 ALA 50 -4.298 -28.583 4.830 406 HB2 ALA 50 HB1 ALA 50 -5.989 -28.713 4.296 407 HB3 ALA 50 HB2 ALA 50 -5.457 -29.488 5.811 408 H ASN 51 H ASN 51 -5.924 -31.719 6.005 409 HA ASN 51 HA ASN 51 -7.851 -33.310 4.402 410 HB2 ASN 51 HB2 ASN 51 -7.106 -35.305 5.390 411 HB3 ASN 51 HB3 ASN 51 -5.638 -34.504 4.874 412 HD21 ASN 51 HD22 ASN 51 -6.068 -36.639 6.954 413 HD22 ASN 51 HD21 ASN 51 -5.391 -35.904 8.392 414 HA PRO 52 HA PRO 52 -10.842 -32.097 7.169 415 HB2 PRO 52 HB2 PRO 52 -12.375 -34.315 7.880 416 HB3 PRO 52 HB3 PRO 52 -12.445 -33.453 6.315 417 HG2 PRO 52 HG2 PRO 52 -10.897 -35.956 7.006 418 HG3 PRO 52 HG3 PRO 52 -11.878 -35.622 5.544 419 HD2 PRO 52 HD2 PRO 52 -9.196 -35.399 5.528 420 HD3 PRO 52 HD3 PRO 52 -10.195 -34.219 4.632 421 H ASP 53 H ASP 53 -9.367 -34.992 8.553 422 HA ASP 53 HA ASP 53 -9.736 -34.636 11.303 423 HB2 ASP 53 HB2 ASP 53 -9.015 -36.675 10.233 424 HB3 ASP 53 HB3 ASP 53 -7.597 -35.886 9.550 425 H CYS 54 H CYS 54 -6.496 -33.904 9.736 426 HA CYS 54 HA CYS 54 -5.679 -32.494 11.941 427 HB2 CYS 54 HB2 CYS 54 -4.334 -33.160 9.706 428 HB3 CYS 54 HB3 CYS 54 -4.602 -31.410 9.406 429 HG CYS 54 HG CYS 54 -2.247 -31.564 10.536 430 H LYS 55 H LYS 55 -7.505 -31.085 9.197 431 HA LYS 55 HA LYS 55 -7.385 -28.326 9.898 432 HB2 LYS 55 HB2 LYS 55 -9.516 -30.150 8.829 433 HB3 LYS 55 HB3 LYS 55 -9.853 -28.429 9.063 434 HG2 LYS 55 HG2 LYS 55 -8.285 -27.743 7.430 435 HG3 LYS 55 HG3 LYS 55 -7.469 -29.306 7.407 436 HD2 LYS 55 HD2 LYS 55 -8.815 -28.913 5.391 437 HD3 LYS 55 HD3 LYS 55 -9.259 -30.359 6.239 438 HE2 LYS 55 HE2 LYS 55 -10.789 -27.767 6.622 439 HE3 LYS 55 HE3 LYS 55 -11.148 -28.861 5.284 440 HZ1 LYS 55 HZ3 LYS 55 -11.727 -30.570 6.837 441 HZ2 LYS 55 HZ1 LYS 55 -11.273 -29.705 8.131 442 HZ3 LYS 55 HZ2 LYS 55 -12.583 -29.233 7.251 443 H THR 56 H THR 56 -9.570 -30.839 11.312 444 HA THR 56 HA THR 56 -10.901 -28.961 13.053 445 HB THR 56 HB THR 56 -11.461 -31.503 12.237 446 HG1 THR 56 HG1 THR 56 -12.968 -31.252 14.160 447 HG21 THR 56 HG23 THR 56 -9.955 -32.591 13.901 448 HG22 THR 56 HG21 THR 56 -10.854 -31.789 15.208 449 HG23 THR 56 HG22 THR 56 -11.659 -32.965 14.145 450 H ILE 57 H ILE 57 -7.883 -30.586 13.129 451 HA ILE 57 HA ILE 57 -7.498 -30.281 16.048 452 HB ILE 57 HB ILE 57 -5.815 -31.432 13.832 453 HG12 ILE 57 HG12 ILE 57 -6.684 -32.874 16.337 454 HG13 ILE 57 HG13 ILE 57 -7.899 -32.578 15.099 455 HG21 ILE 57 HG21 ILE 57 -4.991 -31.098 16.735 456 HG22 ILE 57 HG22 ILE 57 -4.193 -32.160 15.549 457 HG23 ILE 57 HG23 ILE 57 -4.189 -30.428 15.286 458 HD11 ILE 57 HD13 ILE 57 -6.625 -33.726 13.417 459 HD12 ILE 57 HD11 ILE 57 -5.263 -33.972 14.531 460 HD13 ILE 57 HD12 ILE 57 -6.825 -34.779 14.821 461 H LEU 58 H LEU 58 -5.491 -28.906 13.246 462 HA LEU 58 HA LEU 58 -4.253 -27.036 14.982 463 HB2 LEU 58 HB2 LEU 58 -4.838 -26.523 12.035 464 HB3 LEU 58 HB3 LEU 58 -3.742 -25.624 13.067 465 HG LEU 58 HG LEU 58 -2.877 -28.277 13.400 466 HD11 LEU 58 HD11 LEU 58 -3.519 -27.732 10.488 467 HD12 LEU 58 HD12 LEU 58 -2.645 -29.159 11.113 468 HD13 LEU 58 HD13 LEU 58 -4.350 -28.843 11.551 469 HD21 LEU 58 HD23 LEU 58 -1.859 -25.842 11.997 470 HD22 LEU 58 HD21 LEU 58 -1.129 -26.879 13.266 471 HD23 LEU 58 HD22 LEU 58 -1.120 -27.395 11.568 472 H LYS 59 H LYS 59 -7.408 -26.919 13.550 473 HA LYS 59 HA LYS 59 -8.205 -24.292 14.053 474 HB2 LYS 59 HB2 LYS 59 -9.534 -26.911 14.304 475 HB3 LYS 59 HB3 LYS 59 -10.363 -25.590 15.092 476 HG2 LYS 59 HG2 LYS 59 -9.415 -25.132 12.264 477 HG3 LYS 59 HG3 LYS 59 -10.765 -26.214 12.533 478 HD2 LYS 59 HD2 LYS 59 -11.592 -24.014 12.037 479 HD3 LYS 59 HD3 LYS 59 -12.035 -24.421 13.688 480 HE2 LYS 59 HE2 LYS 59 -9.497 -22.847 13.185 481 HE3 LYS 59 HE3 LYS 59 -11.038 -22.031 12.939 482 HZ1 LYS 59 HZ3 LYS 59 -11.635 -22.599 15.246 483 HZ2 LYS 59 HZ1 LYS 59 -10.144 -23.251 15.494 484 HZ3 LYS 59 HZ2 LYS 59 -10.276 -21.675 15.179 485 H ALA 60 H ALA 60 -7.313 -26.591 16.482 486 HA ALA 60 HA ALA 60 -7.373 -24.441 18.549 487 HB1 ALA 60 HB3 ALA 60 -9.174 -26.094 18.961 488 HB2 ALA 60 HB1 ALA 60 -7.968 -27.404 18.956 489 HB3 ALA 60 HB2 ALA 60 -7.929 -26.158 20.223 490 H LEU 61 H LEU 61 -5.239 -26.048 16.658 491 HA LEU 61 HA LEU 61 -3.180 -26.218 18.789 492 HB2 LEU 61 HB2 LEU 61 -4.218 -28.414 17.510 493 HB3 LEU 61 HB3 LEU 61 -2.869 -28.068 16.475 494 HG LEU 61 HG LEU 61 -1.468 -27.864 18.703 495 HD11 LEU 61 HD11 LEU 61 -3.810 -29.563 19.670 496 HD12 LEU 61 HD12 LEU 61 -2.307 -29.230 20.557 497 HD13 LEU 61 HD13 LEU 61 -3.455 -27.919 20.231 498 HD21 LEU 61 HD23 LEU 61 -2.497 -30.561 17.746 499 HD22 LEU 61 HD21 LEU 61 -1.077 -29.671 17.154 500 HD23 LEU 61 HD22 LEU 61 -1.081 -30.313 18.796 501 H GLY 62 H GLY 62 -3.218 -23.846 17.804 502 HA2 GLY 62 HA2 GLY 62 -0.827 -23.697 15.981 503 HA3 GLY 62 HA3 GLY 62 -1.962 -22.388 16.280 504 HA PRO 63 HA PRO 63 0.698 -22.166 20.202 505 HB2 PRO 63 HB2 PRO 63 2.079 -24.201 21.304 506 HB3 PRO 63 HB3 PRO 63 0.293 -24.217 21.316 507 HG2 PRO 63 HG2 PRO 63 2.125 -25.547 19.282 508 HG3 PRO 63 HG3 PRO 63 0.830 -26.323 20.254 509 HD2 PRO 63 HD2 PRO 63 0.397 -25.384 17.722 510 HD3 PRO 63 HD3 PRO 63 -0.852 -25.304 19.012 511 H ALA 64 H ALA 64 1.602 -21.732 17.567 512 HA ALA 64 HA ALA 64 3.336 -21.080 16.289 513 HB1 ALA 64 HB3 ALA 64 3.263 -19.497 18.161 514 HB2 ALA 64 HB1 ALA 64 4.511 -20.441 19.007 515 HB3 ALA 64 HB2 ALA 64 4.892 -19.638 17.473 516 H ALA 65 H ALA 65 3.986 -23.977 17.694 517 HA ALA 65 HA ALA 65 6.472 -24.282 16.036 518 HB1 ALA 65 HB3 ALA 65 7.197 -23.834 18.349 519 HB2 ALA 65 HB1 ALA 65 6.182 -25.168 18.947 520 HB3 ALA 65 HB2 ALA 65 7.560 -25.499 17.867 521 H THR 66 H THR 66 4.168 -26.254 18.091 522 HA THR 66 HA THR 66 4.422 -28.622 16.691 523 HB THR 66 HB THR 66 1.729 -27.646 17.683 524 HG1 THR 66 HG1 THR 66 3.662 -28.866 19.285 525 HG21 THR 66 HG23 THR 66 1.702 -29.923 16.757 526 HG22 THR 66 HG21 THR 66 3.122 -30.366 17.705 527 HG23 THR 66 HG22 THR 66 1.576 -30.012 18.517 528 H LEU 67 H LEU 67 3.062 -25.781 15.311 529 HA LEU 67 HA LEU 67 1.325 -26.755 13.312 530 HB2 LEU 67 HB2 LEU 67 1.947 -24.469 13.992 531 HB3 LEU 67 HB3 LEU 67 3.435 -24.607 13.073 532 HG LEU 67 HG LEU 67 0.584 -24.204 12.127 533 HD11 LEU 67 HD11 LEU 67 3.330 -23.342 11.089 534 HD12 LEU 67 HD12 LEU 67 1.760 -22.687 10.570 535 HD13 LEU 67 HD13 LEU 67 2.340 -22.393 12.220 536 HD21 LEU 67 HD23 LEU 67 2.623 -25.670 10.469 537 HD22 LEU 67 HD21 LEU 67 1.023 -26.263 11.032 538 HD23 LEU 67 HD22 LEU 67 1.166 -24.905 9.855 539 H GLU 68 H GLU 68 4.909 -26.463 13.225 540 HA GLU 68 HA GLU 68 5.513 -27.336 10.680 541 HB2 GLU 68 HB2 GLU 68 6.933 -28.202 13.261 542 HB3 GLU 68 HB3 GLU 68 7.656 -28.158 11.641 543 HG2 GLU 68 HG2 GLU 68 7.347 -25.705 11.590 544 HG3 GLU 68 HG3 GLU 68 6.569 -25.762 13.164 545 H GLU 69 H GLU 69 4.750 -29.495 13.415 546 HA GLU 69 HA GLU 69 4.911 -31.872 11.652 547 HB2 GLU 69 HB2 GLU 69 4.207 -33.199 13.435 548 HB3 GLU 69 HB3 GLU 69 5.431 -32.064 14.023 549 HG2 GLU 69 HG2 GLU 69 3.885 -30.816 15.259 550 HG3 GLU 69 HG3 GLU 69 2.475 -31.506 14.467 551 H MET 70 H MET 70 2.383 -29.735 12.878 552 HA MET 70 HA MET 70 0.110 -31.352 12.156 553 HB2 MET 70 HB2 MET 70 0.431 -28.470 12.600 554 HB3 MET 70 HB3 MET 70 -1.098 -29.379 12.426 555 HG2 MET 70 HG2 MET 70 0.819 -30.165 14.503 556 HG3 MET 70 HG3 MET 70 -0.256 -28.765 14.718 557 HE1 MET 70 HE3 MET 70 0.026 -32.643 13.988 558 HE2 MET 70 HE1 MET 70 0.152 -32.294 15.725 559 HE3 MET 70 HE2 MET 70 -1.231 -33.216 15.104 560 H MET 71 H MET 71 1.915 -29.025 10.390 561 HA MET 71 HA MET 71 0.270 -28.784 7.992 562 HB2 MET 71 HB2 MET 71 1.980 -27.121 8.417 563 HB3 MET 71 HB3 MET 71 3.228 -28.331 8.611 564 HG2 MET 71 HG2 MET 71 2.262 -28.838 6.009 565 HG3 MET 71 HG3 MET 71 2.098 -27.113 6.133 566 HE1 MET 71 HE3 MET 71 4.917 -29.436 7.825 567 HE2 MET 71 HE1 MET 71 4.674 -30.212 6.238 568 HE3 MET 71 HE2 MET 71 6.174 -29.322 6.604 569 H THR 72 H THR 72 3.220 -30.682 8.696 570 HA THR 72 HA THR 72 3.101 -32.478 6.525 571 HB THR 72 HB THR 72 3.905 -33.283 9.326 572 HG1 THR 72 HG1 THR 72 5.191 -31.585 9.054 573 HG21 THR 72 HG23 THR 72 3.956 -35.131 7.697 574 HG22 THR 72 HG21 THR 72 4.902 -34.135 6.567 575 HG23 THR 72 HG22 THR 72 5.606 -34.649 8.117 576 H ALA 73 H ALA 73 1.389 -32.770 9.706 577 HA ALA 73 HA ALA 73 0.558 -35.455 9.272 578 HB1 ALA 73 HB3 ALA 73 0.770 -34.395 11.491 579 HB2 ALA 73 HB1 ALA 73 -0.580 -33.304 11.107 580 HB3 ALA 73 HB2 ALA 73 -0.861 -35.050 11.249 581 H CYS 74 H CYS 74 -0.752 -32.425 8.197 582 HA CYS 74 HA CYS 74 -3.287 -33.644 7.416 583 HB2 CYS 74 HB2 CYS 74 -4.070 -31.482 7.161 584 HB3 CYS 74 HB3 CYS 74 -2.824 -31.269 8.403 585 HG CYS 74 HG CYS 74 -0.924 -30.638 6.598 586 H GLN 75 H GLN 75 -0.245 -33.494 5.768 587 HA GLN 75 HA GLN 75 -1.313 -32.794 3.194 588 HB2 GLN 75 HB2 GLN 75 0.846 -33.120 2.333 589 HB3 GLN 75 HB3 GLN 75 1.011 -32.391 3.907 590 HG2 GLN 75 HG2 GLN 75 2.625 -33.899 4.257 591 HG3 GLN 75 HG3 GLN 75 1.334 -35.041 4.560 592 HE21 GLN 75 HE22 GLN 75 0.870 -36.632 2.823 593 HE22 GLN 75 HE21 GLN 75 2.093 -36.914 1.567 594 H GLY 76 H GLY 76 -2.832 -34.025 2.198 595 HA2 GLY 76 HA2 GLY 76 -3.615 -35.793 0.962 596 HA3 GLY 76 HA3 GLY 76 -2.032 -36.543 1.088 597 H VAL 77 H VAL 77 -2.440 -36.614 4.145 598 HA VAL 77 HA VAL 77 -3.213 -39.192 4.631 599 HB VAL 77 HB VAL 77 -3.486 -36.756 6.431 600 HG11 VAL 77 HG11 VAL 77 -3.492 -39.703 7.246 601 HG12 VAL 77 HG12 VAL 77 -3.354 -38.317 8.352 602 HG13 VAL 77 HG13 VAL 77 -4.842 -38.567 7.449 603 HG21 VAL 77 HG23 VAL 77 -1.329 -38.895 6.129 604 HG22 VAL 77 HG21 VAL 77 -1.193 -37.184 5.667 605 HG23 VAL 77 HG22 VAL 77 -1.339 -37.624 7.364 606 H GLY 78 H GLY 78 -5.396 -36.628 4.010 607 HA2 GLY 78 HA2 GLY 78 -7.513 -38.476 3.382 608 HA3 GLY 78 HA3 GLY 78 -7.977 -37.401 4.721 609 H GLY 79 H GLY 79 -5.924 -36.961 1.833 610 HA2 GLY 79 HA2 GLY 79 -7.444 -34.518 0.974 611 HA3 GLY 79 HA3 GLY 79 -5.723 -34.454 1.322 612 HA PRO 80 HA PRO 80 -6.126 -37.031 -2.734 613 HB2 PRO 80 HB2 PRO 80 -8.515 -37.036 -4.065 614 HB3 PRO 80 HB3 PRO 80 -8.099 -38.235 -2.802 615 HG2 PRO 80 HG2 PRO 80 -9.776 -35.728 -2.515 616 HG3 PRO 80 HG3 PRO 80 -10.117 -37.372 -1.892 617 HD2 PRO 80 HD2 PRO 80 -9.007 -35.374 -0.360 618 HD3 PRO 80 HD3 PRO 80 -8.624 -37.102 -0.104 619 H GLY 81 H GLY 81 -4.870 -35.548 -3.729 620 HA2 GLY 81 HA2 GLY 81 -5.538 -32.854 -4.355 621 HA3 GLY 81 HA3 GLY 81 -4.170 -33.764 -4.998 622 H HIS 82 H HIS 82 -7.699 -33.538 -5.371 623 HA HIS 82 HA HIS 82 -8.190 -34.933 -7.601 624 HB2 HIS 82 HB2 HIS 82 -10.215 -33.544 -7.937 625 HB3 HIS 82 HB3 HIS 82 -9.952 -34.175 -6.322 626 HD2 HIS 82 HD2 HIS 82 -7.922 -31.026 -6.784 627 HE1 HIS 82 HE1 HIS 82 -11.542 -29.842 -4.877 628 HE2 HIS 82 HE2 HIS 82 -9.169 -29.122 -5.473 629 H LYS 83 H LYS 83 -6.668 -34.945 -9.189 630 HA LYS 83 HA LYS 83 -7.279 -32.997 -11.348 631 HB2 LYS 83 HB2 LYS 83 -4.888 -32.930 -10.037 632 HB3 LYS 83 HB3 LYS 83 -4.509 -34.178 -11.205 633 HG2 LYS 83 HG2 LYS 83 -5.386 -31.308 -11.758 634 HG3 LYS 83 HG3 LYS 83 -3.769 -31.985 -11.941 635 HD2 LYS 83 HD2 LYS 83 -4.760 -33.539 -13.730 636 HD3 LYS 83 HD3 LYS 83 -6.222 -32.539 -13.641 637 HE2 LYS 83 HE2 LYS 83 -5.046 -31.591 -15.429 638 HE3 LYS 83 HE3 LYS 83 -4.644 -30.522 -14.084 639 HZ1 LYS 83 HZ3 LYS 83 -2.501 -31.759 -13.914 640 HZ2 LYS 83 HZ1 LYS 83 -2.972 -32.720 -15.190 641 HZ3 LYS 83 HZ2 LYS 83 -2.719 -31.178 -15.430 642 H ALA 84 H ALA 84 -7.749 -34.025 -13.279 643 HA ALA 84 HA ALA 84 -8.077 -36.894 -13.401 644 HB1 ALA 84 HB3 ALA 84 -9.542 -35.296 -14.593 645 HB2 ALA 84 HB1 ALA 84 -8.166 -34.760 -15.583 646 HB3 ALA 84 HB2 ALA 84 -8.777 -36.418 -15.731 647 H ARG 85 H ARG 85 -7.136 -38.146 -15.363 648 HA ARG 85 HA ARG 85 -4.181 -37.877 -15.453 649 HB2 ARG 85 HB2 ARG 85 -6.111 -40.018 -16.376 650 HB3 ARG 85 HB3 ARG 85 -4.548 -39.861 -17.169 651 HG2 ARG 85 HG2 ARG 85 -4.171 -41.443 -15.489 652 HG3 ARG 85 HG3 ARG 85 -3.391 -39.960 -14.967 653 HD2 ARG 85 HD2 ARG 85 -4.380 -40.823 -13.042 654 HD3 ARG 85 HD3 ARG 85 -5.461 -39.517 -13.506 655 HE ARG 85 HE ARG 85 -6.883 -41.330 -14.614 656 HH11 ARG 85 HH11 ARG 85 -4.883 -42.202 -11.872 657 HH12 ARG 85 HH12 ARG 85 -5.826 -43.619 -11.513 658 HH21 ARG 85 HH21 ARG 85 -8.048 -43.155 -14.096 659 HH22 ARG 85 HH22 ARG 85 -7.572 -44.130 -12.744 660 H VAL 86 H VAL 86 -4.319 -35.762 -16.210 661 HA VAL 86 HA VAL 86 -3.943 -35.570 -19.104 662 HB VAL 86 HB VAL 86 -6.396 -35.108 -18.623 663 HG11 VAL 86 HG11 VAL 86 -5.410 -32.481 -17.456 664 HG12 VAL 86 HG12 VAL 86 -7.086 -33.002 -17.693 665 HG13 VAL 86 HG13 VAL 86 -6.067 -33.819 -16.488 666 HG21 VAL 86 HG23 VAL 86 -4.901 -32.789 -19.864 667 HG22 VAL 86 HG21 VAL 86 -5.250 -34.337 -20.672 668 HG23 VAL 86 HG22 VAL 86 -6.573 -33.278 -20.159 669 H LEU 87 H LEU 87 -2.817 -33.461 -19.603 670 HA LEU 87 HA LEU 87 -0.723 -32.915 -17.745 671 HB2 LEU 87 HB2 LEU 87 0.208 -31.562 -19.308 672 HB3 LEU 87 HB3 LEU 87 -0.669 -32.702 -20.310 673 HG LEU 87 HG LEU 87 -1.473 -29.820 -19.663 674 HD11 LEU 87 HD11 LEU 87 -0.477 -31.129 -22.227 675 HD12 LEU 87 HD12 LEU 87 -0.950 -29.427 -22.027 676 HD13 LEU 87 HD13 LEU 87 0.463 -30.051 -21.168 677 HD21 LEU 87 HD23 LEU 87 -2.814 -31.875 -21.478 678 HD22 LEU 87 HD21 LEU 87 -3.498 -31.075 -20.032 679 HD23 LEU 87 HD22 LEU 87 -3.167 -30.128 -21.477 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -4.214 -7.883 -10.085 2 H2 MET 1 H2 MET 1 -2.606 -8.195 -10.152 3 H3 MET 1 H3 MET 1 -3.264 -7.092 -11.190 4 HA MET 1 HA MET 1 -2.045 -6.006 -9.469 5 HB2 MET 1 HB2 MET 1 -5.033 -5.564 -9.059 6 HB3 MET 1 HB3 MET 1 -3.709 -4.457 -8.656 7 HG2 MET 1 HG2 MET 1 -4.763 -5.228 -11.373 8 HG3 MET 1 HG3 MET 1 -4.530 -3.625 -10.678 9 HE1 MET 1 HE3 MET 1 -3.732 -4.142 -13.633 10 HE2 MET 1 HE1 MET 1 -3.350 -2.611 -12.807 11 HE3 MET 1 HE2 MET 1 -2.092 -3.465 -13.723 12 H SER 2 H SER 2 -4.250 -5.802 -6.981 13 HA SER 2 HA SER 2 -4.205 -6.549 -4.846 14 HB2 SER 2 HB2 SER 2 -3.751 -9.320 -5.970 15 HB3 SER 2 HB3 SER 2 -4.670 -8.838 -4.534 16 HG SER 2 HG SER 2 -6.107 -9.241 -6.189 17 HA PRO 3 HA PRO 3 0.500 -7.279 -5.056 18 HB2 PRO 3 HB2 PRO 3 1.570 -4.869 -4.365 19 HB3 PRO 3 HB3 PRO 3 0.955 -5.213 -6.008 20 HG2 PRO 3 HG2 PRO 3 -0.526 -3.854 -3.723 21 HG3 PRO 3 HG3 PRO 3 -0.305 -3.255 -5.401 22 HD2 PRO 3 HD2 PRO 3 -2.553 -4.592 -4.670 23 HD3 PRO 3 HD3 PRO 3 -1.793 -4.846 -6.272 24 H THR 4 H THR 4 -1.581 -6.631 -2.485 25 HA THR 4 HA THR 4 0.134 -6.441 -0.216 26 HB THR 4 HB THR 4 -2.164 -6.071 0.138 27 HG1 THR 4 HG1 THR 4 -1.570 -6.995 1.935 28 HG21 THR 4 HG23 THR 4 -3.236 -7.362 -1.655 29 HG22 THR 4 HG21 THR 4 -2.722 -8.888 -0.890 30 HG23 THR 4 HG22 THR 4 -3.890 -7.832 -0.081 31 H SER 5 H SER 5 1.471 -7.816 0.725 32 HA SER 5 HA SER 5 2.021 -10.453 -0.529 33 HB2 SER 5 HB2 SER 5 3.524 -8.633 1.380 34 HB3 SER 5 HB3 SER 5 3.985 -10.334 1.195 35 HG SER 5 HG SER 5 3.747 -8.480 -0.932 36 H ILE 6 H ILE 6 2.720 -12.234 1.072 37 HA ILE 6 HA ILE 6 0.613 -13.100 2.708 38 HB ILE 6 HB ILE 6 1.922 -14.837 2.296 39 HG12 ILE 6 HG12 ILE 6 3.066 -15.671 4.201 40 HG13 ILE 6 HG13 ILE 6 3.325 -14.100 4.883 41 HG21 ILE 6 HG21 ILE 6 4.446 -13.207 2.773 42 HG22 ILE 6 HG22 ILE 6 4.410 -14.925 2.409 43 HG23 ILE 6 HG23 ILE 6 3.817 -13.789 1.203 44 HD11 ILE 6 HD13 ILE 6 1.212 -13.977 5.833 45 HD12 ILE 6 HD11 ILE 6 0.453 -14.967 4.559 46 HD13 ILE 6 HD12 ILE 6 1.436 -15.704 5.854 47 H LEU 7 H LEU 7 3.623 -11.473 3.933 48 HA LEU 7 HA LEU 7 2.522 -11.547 6.501 49 HB2 LEU 7 HB2 LEU 7 4.835 -9.718 5.821 50 HB3 LEU 7 HB3 LEU 7 4.446 -10.516 7.336 51 HG LEU 7 HG LEU 7 4.835 -12.727 5.823 52 HD11 LEU 7 HD11 LEU 7 6.821 -10.656 4.745 53 HD12 LEU 7 HD12 LEU 7 6.793 -12.396 4.383 54 HD13 LEU 7 HD13 LEU 7 5.495 -11.350 3.794 55 HD21 LEU 7 HD23 LEU 7 7.019 -11.077 7.164 56 HD22 LEU 7 HD21 LEU 7 5.955 -12.280 7.944 57 HD23 LEU 7 HD22 LEU 7 7.124 -12.803 6.727 58 H ASP 8 H ASP 8 1.114 -9.921 4.508 59 HA ASP 8 HA ASP 8 0.337 -7.583 6.217 60 HB2 ASP 8 HB2 ASP 8 1.529 -6.844 4.199 61 HB3 ASP 8 HB3 ASP 8 0.450 -7.792 3.182 62 H ILE 9 H ILE 9 -0.635 -10.198 3.957 63 HA ILE 9 HA ILE 9 -3.472 -9.954 4.827 64 HB ILE 9 HB ILE 9 -4.016 -11.813 3.440 65 HG12 ILE 9 HG12 ILE 9 -1.201 -12.037 2.360 66 HG13 ILE 9 HG13 ILE 9 -1.645 -12.938 3.813 67 HG21 ILE 9 HG21 ILE 9 -2.251 -10.093 1.707 68 HG22 ILE 9 HG22 ILE 9 -3.767 -10.901 1.274 69 HG23 ILE 9 HG23 ILE 9 -3.783 -9.521 2.386 70 HD11 ILE 9 HD13 ILE 9 -3.558 -13.910 2.622 71 HD12 ILE 9 HD11 ILE 9 -2.992 -13.144 1.118 72 HD13 ILE 9 HD12 ILE 9 -1.977 -14.364 1.938 73 H ARG 10 H ARG 10 -1.114 -10.665 6.439 74 HA ARG 10 HA ARG 10 -0.894 -13.387 7.056 75 HB2 ARG 10 HB2 ARG 10 0.652 -12.675 8.734 76 HB3 ARG 10 HB3 ARG 10 0.728 -11.511 7.425 77 HG2 ARG 10 HG2 ARG 10 0.667 -10.018 9.148 78 HG3 ARG 10 HG3 ARG 10 -1.057 -10.167 8.865 79 HD2 ARG 10 HD2 ARG 10 -0.946 -10.426 11.144 80 HD3 ARG 10 HD3 ARG 10 -0.934 -12.122 10.661 81 HE ARG 10 HE ARG 10 1.697 -10.796 10.927 82 HH11 ARG 10 HH11 ARG 10 -0.584 -12.945 12.503 83 HH12 ARG 10 HH12 ARG 10 0.583 -13.458 13.695 84 HH21 ARG 10 HH21 ARG 10 3.122 -11.462 12.484 85 HH22 ARG 10 HH22 ARG 10 2.638 -12.621 13.685 86 H GLN 11 H GLN 11 -3.405 -11.432 7.990 87 HA GLN 11 HA GLN 11 -4.200 -11.082 10.308 88 HB2 GLN 11 HB2 GLN 11 -5.786 -11.322 8.442 89 HB3 GLN 11 HB3 GLN 11 -5.850 -13.073 8.696 90 HG2 GLN 11 HG2 GLN 11 -6.778 -12.711 10.976 91 HG3 GLN 11 HG3 GLN 11 -6.588 -10.967 10.779 92 HE21 GLN 11 HE22 GLN 11 -8.786 -10.420 10.980 93 HE22 GLN 11 HE21 GLN 11 -9.968 -10.985 9.793 94 H GLY 12 H GLY 12 -4.170 -14.527 9.506 95 HA2 GLY 12 HA2 GLY 12 -2.675 -15.596 11.148 96 HA3 GLY 12 HA3 GLY 12 -3.953 -15.333 12.367 97 HA PRO 13 HA PRO 13 -6.021 -18.085 8.947 98 HB2 PRO 13 HB2 PRO 13 -4.613 -18.983 6.789 99 HB3 PRO 13 HB3 PRO 13 -5.163 -17.296 6.968 100 HG2 PRO 13 HG2 PRO 13 -2.432 -18.398 7.748 101 HG3 PRO 13 HG3 PRO 13 -2.774 -17.026 6.645 102 HD2 PRO 13 HD2 PRO 13 -2.218 -16.718 9.264 103 HD3 PRO 13 HD3 PRO 13 -3.415 -15.686 8.401 104 H LYS 14 H LYS 14 -4.608 -19.051 11.221 105 HA LYS 14 HA LYS 14 -3.414 -21.522 11.415 106 HB2 LYS 14 HB2 LYS 14 -5.883 -20.609 12.907 107 HB3 LYS 14 HB3 LYS 14 -4.773 -21.881 13.430 108 HG2 LYS 14 HG2 LYS 14 -2.981 -20.321 13.780 109 HG3 LYS 14 HG3 LYS 14 -3.912 -18.980 13.111 110 HD2 LYS 14 HD2 LYS 14 -4.663 -20.546 15.624 111 HD3 LYS 14 HD3 LYS 14 -3.850 -18.987 15.583 112 HE2 LYS 14 HE2 LYS 14 -5.856 -18.040 15.732 113 HE3 LYS 14 HE3 LYS 14 -6.046 -18.418 14.020 114 HZ1 LYS 14 HZ3 LYS 14 -7.338 -20.377 14.623 115 HZ2 LYS 14 HZ1 LYS 14 -6.951 -20.244 16.204 116 HZ3 LYS 14 HZ2 LYS 14 -7.933 -19.170 15.437 117 H GLU 15 H GLU 15 -6.564 -21.166 10.033 118 HA GLU 15 HA GLU 15 -7.216 -24.075 10.284 119 HB2 GLU 15 HB2 GLU 15 -8.894 -21.648 10.987 120 HB3 GLU 15 HB3 GLU 15 -9.574 -23.256 10.823 121 HG2 GLU 15 HG2 GLU 15 -8.435 -24.081 12.731 122 HG3 GLU 15 HG3 GLU 15 -7.289 -22.734 12.763 123 HA PRO 16 HA PRO 16 -9.887 -22.603 6.587 124 HB2 PRO 16 HB2 PRO 16 -9.569 -20.211 5.336 125 HB3 PRO 16 HB3 PRO 16 -10.489 -20.391 6.851 126 HG2 PRO 16 HG2 PRO 16 -7.577 -19.566 6.540 127 HG3 PRO 16 HG3 PRO 16 -8.876 -18.708 7.433 128 HD2 PRO 16 HD2 PRO 16 -7.166 -20.380 8.666 129 HD3 PRO 16 HD3 PRO 16 -8.882 -20.320 9.152 130 H PHE 17 H PHE 17 -7.666 -24.063 6.581 131 HA PHE 17 HA PHE 17 -5.442 -23.576 5.165 132 HB2 PHE 17 HB2 PHE 17 -6.893 -25.998 5.896 133 HB3 PHE 17 HB3 PHE 17 -6.089 -26.223 4.371 134 HD1 PHE 17 HD1 PHE 17 -4.920 -24.244 7.392 135 HD2 PHE 17 HD2 PHE 17 -4.316 -27.690 4.842 136 HE1 PHE 17 HE1 PHE 17 -2.733 -24.700 8.482 137 HE2 PHE 17 HE2 PHE 17 -2.151 -28.143 5.983 138 HZ PHE 17 HZ PHE 17 -1.361 -26.606 7.762 139 H ARG 18 H ARG 18 -8.137 -25.142 3.405 140 HA ARG 18 HA ARG 18 -6.972 -24.920 0.801 141 HB2 ARG 18 HB2 ARG 18 -9.739 -24.855 0.369 142 HB3 ARG 18 HB3 ARG 18 -8.664 -26.216 0.356 143 HG2 ARG 18 HG2 ARG 18 -10.501 -26.874 1.691 144 HG3 ARG 18 HG3 ARG 18 -9.177 -26.601 2.830 145 HD2 ARG 18 HD2 ARG 18 -10.094 -24.263 3.131 146 HD3 ARG 18 HD3 ARG 18 -11.474 -24.757 2.140 147 HE ARG 18 HE ARG 18 -10.877 -26.172 4.717 148 HH11 ARG 18 HH11 ARG 18 -12.796 -23.724 3.125 149 HH12 ARG 18 HH12 ARG 18 -13.984 -23.695 4.344 150 HH21 ARG 18 HH21 ARG 18 -12.336 -25.864 6.409 151 HH22 ARG 18 HH22 ARG 18 -13.769 -24.910 6.103 152 H ASP 19 H ASP 19 -9.323 -22.939 2.339 153 HA ASP 19 HA ASP 19 -9.765 -20.980 0.360 154 HB2 ASP 19 HB2 ASP 19 -10.135 -20.154 3.199 155 HB3 ASP 19 HB3 ASP 19 -11.220 -19.997 1.826 156 H TYR 20 H TYR 20 -7.175 -21.192 2.650 157 HA TYR 20 HA TYR 20 -6.201 -18.484 1.865 158 HB2 TYR 20 HB2 TYR 20 -6.534 -19.613 4.414 159 HB3 TYR 20 HB3 TYR 20 -4.808 -19.616 4.136 160 HD1 TYR 20 HD2 TYR 20 -7.877 -17.529 4.191 161 HD2 TYR 20 HD1 TYR 20 -3.568 -17.511 4.106 162 HE1 TYR 20 HE2 TYR 20 -7.873 -15.094 4.761 163 HE2 TYR 20 HE1 TYR 20 -3.570 -15.082 4.712 164 HH TYR 20 HH TYR 20 -4.888 -13.240 5.295 165 H VAL 21 H VAL 21 -5.337 -21.910 1.669 166 HA VAL 21 HA VAL 21 -2.552 -21.468 1.257 167 HB VAL 21 HB VAL 21 -3.505 -23.654 1.918 168 HG11 VAL 21 HG11 VAL 21 -4.055 -24.170 -1.023 169 HG12 VAL 21 HG12 VAL 21 -4.219 -25.299 0.356 170 HG13 VAL 21 HG13 VAL 21 -5.279 -23.893 0.214 171 HG21 VAL 21 HG23 VAL 21 -1.777 -24.078 -0.495 172 HG22 VAL 21 HG21 VAL 21 -1.168 -23.182 0.900 173 HG23 VAL 21 HG22 VAL 21 -1.745 -24.813 1.137 174 H ASP 22 H ASP 22 -5.298 -21.455 -1.021 175 HA ASP 22 HA ASP 22 -3.792 -21.051 -3.461 176 HB2 ASP 22 HB2 ASP 22 -6.182 -21.124 -3.536 177 HB3 ASP 22 HB3 ASP 22 -6.345 -19.957 -2.310 178 H ARG 23 H ARG 23 -5.243 -18.724 -1.605 179 HA ARG 23 HA ARG 23 -4.137 -16.411 -2.445 180 HB2 ARG 23 HB2 ARG 23 -4.812 -16.364 0.481 181 HB3 ARG 23 HB3 ARG 23 -5.324 -15.290 -0.806 182 HG2 ARG 23 HG2 ARG 23 -6.329 -18.091 -0.199 183 HG3 ARG 23 HG3 ARG 23 -7.150 -16.601 0.227 184 HD2 ARG 23 HD2 ARG 23 -6.516 -16.885 -2.674 185 HD3 ARG 23 HD3 ARG 23 -7.559 -18.154 -2.001 186 HE ARG 23 HE ARG 23 -8.586 -15.777 -1.048 187 HH11 ARG 23 HH11 ARG 23 -8.157 -17.409 -4.132 188 HH12 ARG 23 HH12 ARG 23 -9.577 -16.764 -4.843 189 HH21 ARG 23 HH21 ARG 23 -10.582 -15.105 -1.969 190 HH22 ARG 23 HH22 ARG 23 -10.911 -15.445 -3.650 191 H PHE 24 H PHE 24 -2.720 -18.433 -0.020 192 HA PHE 24 HA PHE 24 -0.565 -16.656 0.784 193 HB2 PHE 24 HB2 PHE 24 -1.467 -18.424 2.250 194 HB3 PHE 24 HB3 PHE 24 -0.952 -19.664 1.109 195 HD1 PHE 24 HD1 PHE 24 1.551 -19.969 0.644 196 HD2 PHE 24 HD2 PHE 24 0.045 -17.704 3.982 197 HE1 PHE 24 HE1 PHE 24 3.820 -19.657 1.459 198 HE2 PHE 24 HE2 PHE 24 2.339 -17.660 4.933 199 HZ PHE 24 HZ PHE 24 4.298 -18.452 3.531 200 H TYR 25 H TYR 25 -0.443 -19.791 -1.153 201 HA TYR 25 HA TYR 25 2.309 -19.185 -1.800 202 HB2 TYR 25 HB2 TYR 25 0.438 -21.260 -2.906 203 HB3 TYR 25 HB3 TYR 25 2.065 -21.034 -3.501 204 HD1 TYR 25 HD1 TYR 25 4.099 -21.667 -2.042 205 HD2 TYR 25 HD2 TYR 25 0.059 -22.316 -0.709 206 HE1 TYR 25 HE1 TYR 25 4.819 -23.706 -0.805 207 HE2 TYR 25 HE2 TYR 25 0.809 -24.258 0.592 208 HH TYR 25 HH TYR 25 4.054 -25.555 0.736 209 H LYS 26 H LYS 26 -0.743 -18.501 -3.507 210 HA LYS 26 HA LYS 26 -0.099 -17.522 -5.979 211 HB2 LYS 26 HB2 LYS 26 -2.303 -17.471 -5.190 212 HB3 LYS 26 HB3 LYS 26 -1.913 -16.510 -3.783 213 HG2 LYS 26 HG2 LYS 26 -1.661 -15.311 -6.547 214 HG3 LYS 26 HG3 LYS 26 -3.240 -15.474 -5.789 215 HD2 LYS 26 HD2 LYS 26 -0.939 -14.032 -4.450 216 HD3 LYS 26 HD3 LYS 26 -2.105 -13.215 -5.483 217 HE2 LYS 26 HE2 LYS 26 -3.845 -13.457 -3.954 218 HE3 LYS 26 HE3 LYS 26 -3.128 -14.889 -3.214 219 HZ1 LYS 26 HZ3 LYS 26 -1.517 -13.581 -2.115 220 HZ2 LYS 26 HZ1 LYS 26 -1.962 -12.179 -2.833 221 HZ3 LYS 26 HZ2 LYS 26 -2.961 -12.938 -1.759 222 H THR 27 H THR 27 0.787 -15.889 -2.973 223 HA THR 27 HA THR 27 2.224 -13.758 -4.500 224 HB THR 27 HB THR 27 2.205 -12.955 -1.832 225 HG1 THR 27 HG1 THR 27 0.692 -14.466 -1.163 226 HG21 THR 27 HG23 THR 27 1.748 -11.417 -3.564 227 HG22 THR 27 HG21 THR 27 0.343 -12.332 -4.135 228 HG23 THR 27 HG22 THR 27 0.278 -11.481 -2.582 229 H LEU 28 H LEU 28 2.615 -15.845 -1.608 230 HA LEU 28 HA LEU 28 5.273 -15.252 -0.964 231 HB2 LEU 28 HB2 LEU 28 3.766 -16.481 0.415 232 HB3 LEU 28 HB3 LEU 28 3.638 -17.750 -0.796 233 HG LEU 28 HG LEU 28 5.091 -17.982 1.336 234 HD11 LEU 28 HD11 LEU 28 6.257 -18.903 -1.313 235 HD12 LEU 28 HD12 LEU 28 6.311 -19.726 0.275 236 HD13 LEU 28 HD13 LEU 28 4.799 -19.589 -0.610 237 HD21 LEU 28 HD23 LEU 28 7.410 -16.924 -0.157 238 HD22 LEU 28 HD21 LEU 28 6.435 -15.910 0.932 239 HD23 LEU 28 HD22 LEU 28 7.196 -17.363 1.538 240 H ARG 29 H ARG 29 4.156 -17.520 -3.490 241 HA ARG 29 HA ARG 29 6.639 -18.609 -4.254 242 HB2 ARG 29 HB2 ARG 29 5.619 -19.105 -6.417 243 HB3 ARG 29 HB3 ARG 29 4.514 -19.410 -5.085 244 HG2 ARG 29 HG2 ARG 29 3.087 -18.311 -6.499 245 HG3 ARG 29 HG3 ARG 29 3.702 -16.957 -5.550 246 HD2 ARG 29 HD2 ARG 29 5.402 -16.670 -7.530 247 HD3 ARG 29 HD3 ARG 29 4.214 -17.622 -8.430 248 HE ARG 29 HE ARG 29 2.559 -15.864 -7.289 249 HH11 ARG 29 HH11 ARG 29 5.673 -14.977 -8.637 250 HH12 ARG 29 HH12 ARG 29 5.243 -13.283 -8.669 251 HH21 ARG 29 HH21 ARG 29 2.097 -13.857 -7.333 252 HH22 ARG 29 HH22 ARG 29 3.187 -12.640 -7.973 253 H ALA 30 H ALA 30 6.081 -15.278 -4.388 254 HA ALA 30 HA ALA 30 7.808 -14.657 -6.666 255 HB1 ALA 30 HB3 ALA 30 6.097 -13.070 -5.785 256 HB2 ALA 30 HB1 ALA 30 6.960 -13.020 -4.229 257 HB3 ALA 30 HB2 ALA 30 7.738 -12.390 -5.694 258 H GLU 31 H GLU 31 8.348 -15.574 -3.302 259 HA GLU 31 HA GLU 31 11.215 -14.947 -3.417 260 HB2 GLU 31 HB2 GLU 31 9.249 -13.847 -1.979 261 HB3 GLU 31 HB3 GLU 31 9.419 -15.251 -0.960 262 HG2 GLU 31 HG2 GLU 31 11.641 -13.405 -1.838 263 HG3 GLU 31 HG3 GLU 31 10.667 -13.141 -0.387 264 H GLN 32 H GLN 32 9.160 -17.145 -1.429 265 HA GLN 32 HA GLN 32 11.131 -19.287 -1.446 266 HB2 GLN 32 HB2 GLN 32 8.264 -19.302 -0.530 267 HB3 GLN 32 HB3 GLN 32 9.449 -20.528 -0.123 268 HG2 GLN 32 HG2 GLN 32 9.680 -17.614 0.706 269 HG3 GLN 32 HG3 GLN 32 8.858 -18.840 1.675 270 HE21 GLN 32 HE22 GLN 32 11.903 -17.360 1.066 271 HE22 GLN 32 HE21 GLN 32 12.862 -18.557 1.941 272 H ALA 33 H ALA 33 10.726 -18.786 -3.935 273 HA ALA 33 HA ALA 33 8.561 -19.678 -5.415 274 HB1 ALA 33 HB3 ALA 33 10.311 -18.126 -6.172 275 HB2 ALA 33 HB1 ALA 33 11.471 -19.469 -6.276 276 HB3 ALA 33 HB2 ALA 33 10.051 -19.429 -7.347 277 H SER 34 H SER 34 10.803 -21.892 -3.997 278 HA SER 34 HA SER 34 10.935 -23.986 -5.872 279 HB2 SER 34 HB2 SER 34 10.675 -24.323 -2.858 280 HB3 SER 34 HB3 SER 34 11.506 -25.400 -3.996 281 HG SER 34 HG SER 34 13.060 -23.863 -4.293 282 H GLN 35 H GLN 35 8.135 -22.979 -4.157 283 HA GLN 35 HA GLN 35 6.333 -24.036 -3.188 284 HB2 GLN 35 HB2 GLN 35 5.824 -23.187 -5.422 285 HB3 GLN 35 HB3 GLN 35 6.258 -24.733 -6.109 286 HG2 GLN 35 HG2 GLN 35 4.279 -25.273 -4.078 287 HG3 GLN 35 HG3 GLN 35 3.752 -23.797 -4.878 288 HE21 GLN 35 HE22 GLN 35 5.105 -27.005 -5.750 289 HE22 GLN 35 HE21 GLN 35 4.053 -27.214 -7.173 290 H GLU 36 H GLU 36 8.040 -25.452 -2.121 291 HA GLU 36 HA GLU 36 7.838 -28.347 -2.817 292 HB2 GLU 36 HB2 GLU 36 9.964 -27.004 -3.210 293 HB3 GLU 36 HB3 GLU 36 10.033 -26.756 -1.458 294 HG2 GLU 36 HG2 GLU 36 9.956 -29.368 -1.341 295 HG3 GLU 36 HG3 GLU 36 10.344 -29.311 -3.055 296 H VAL 37 H VAL 37 7.662 -29.820 -1.176 297 HA VAL 37 HA VAL 37 6.173 -29.498 1.084 298 HB VAL 37 HB VAL 37 6.942 -31.548 -0.171 299 HG11 VAL 37 HG11 VAL 37 9.213 -31.670 1.827 300 HG12 VAL 37 HG12 VAL 37 8.767 -32.888 0.621 301 HG13 VAL 37 HG13 VAL 37 9.380 -31.310 0.093 302 HG21 VAL 37 HG23 VAL 37 6.950 -31.840 2.857 303 HG22 VAL 37 HG21 VAL 37 5.510 -31.532 1.876 304 HG23 VAL 37 HG22 VAL 37 6.418 -33.044 1.648 305 H LYS 38 H LYS 38 9.633 -28.988 1.011 306 HA LYS 38 HA LYS 38 10.320 -28.825 3.702 307 HB2 LYS 38 HB2 LYS 38 11.636 -28.834 1.502 308 HB3 LYS 38 HB3 LYS 38 11.239 -27.112 1.339 309 HG2 LYS 38 HG2 LYS 38 12.458 -26.621 3.349 310 HG3 LYS 38 HG3 LYS 38 12.547 -28.352 3.746 311 HD2 LYS 38 HD2 LYS 38 14.728 -27.429 2.958 312 HD3 LYS 38 HD3 LYS 38 14.122 -28.763 1.973 313 HE2 LYS 38 HE2 LYS 38 13.107 -26.290 0.875 314 HE3 LYS 38 HE3 LYS 38 14.835 -26.064 1.165 315 HZ1 LYS 38 HZ3 LYS 38 15.300 -27.858 -0.346 316 HZ2 LYS 38 HZ1 LYS 38 13.763 -28.450 -0.249 317 HZ3 LYS 38 HZ2 LYS 38 13.959 -27.141 -1.053 318 H ASN 39 H ASN 39 7.825 -27.068 2.420 319 HA ASN 39 HA ASN 39 8.339 -24.418 2.981 320 HB2 ASN 39 HB2 ASN 39 6.065 -24.035 2.646 321 HB3 ASN 39 HB3 ASN 39 6.719 -25.156 1.464 322 HD21 ASN 39 HD22 ASN 39 4.337 -24.563 3.785 323 HD22 ASN 39 HD21 ASN 39 3.304 -25.710 2.959 324 H ALA 40 H ALA 40 7.667 -26.634 5.583 325 HA ALA 40 HA ALA 40 6.840 -24.777 7.529 326 HB1 ALA 40 HB3 ALA 40 6.917 -27.184 7.939 327 HB2 ALA 40 HB1 ALA 40 8.691 -27.191 7.768 328 HB3 ALA 40 HB2 ALA 40 7.920 -26.352 9.131 329 H MET 41 H MET 41 9.917 -24.784 5.896 330 HA MET 41 HA MET 41 11.420 -23.377 7.946 331 HB2 MET 41 HB2 MET 41 11.846 -23.522 4.941 332 HB3 MET 41 HB3 MET 41 13.021 -22.944 6.125 333 HG2 MET 41 HG2 MET 41 11.941 -25.789 5.948 334 HG3 MET 41 HG3 MET 41 13.494 -25.219 5.374 335 HE1 MET 41 HE3 MET 41 11.393 -25.264 8.927 336 HE2 MET 41 HE1 MET 41 11.545 -26.851 8.143 337 HE3 MET 41 HE2 MET 41 12.427 -26.499 9.645 338 H THR 42 H THR 42 8.805 -22.265 6.098 339 HA THR 42 HA THR 42 9.378 -19.494 6.953 340 HB THR 42 HB THR 42 7.828 -18.974 4.766 341 HG1 THR 42 HG1 THR 42 9.534 -20.563 3.460 342 HG21 THR 42 HG23 THR 42 10.050 -18.029 5.481 343 HG22 THR 42 HG21 THR 42 10.839 -19.415 4.691 344 HG23 THR 42 HG22 THR 42 9.879 -18.217 3.754 345 H GLU 43 H GLU 43 7.245 -18.157 6.624 346 HA GLU 43 HA GLU 43 5.368 -19.115 8.532 347 HB2 GLU 43 HB2 GLU 43 4.166 -17.125 8.052 348 HB3 GLU 43 HB3 GLU 43 5.886 -16.725 8.072 349 HG2 GLU 43 HG2 GLU 43 4.482 -17.325 5.457 350 HG3 GLU 43 HG3 GLU 43 4.203 -15.792 6.281 351 H THR 44 H THR 44 5.643 -19.889 5.331 352 HA THR 44 HA THR 44 3.222 -20.617 4.260 353 HB THR 44 HB THR 44 5.676 -22.361 4.046 354 HG1 THR 44 HG1 THR 44 6.806 -20.739 3.505 355 HG21 THR 44 HG23 THR 44 4.053 -23.119 2.537 356 HG22 THR 44 HG21 THR 44 3.348 -21.591 2.313 357 HG23 THR 44 HG22 THR 44 4.913 -21.947 1.526 358 H LEU 45 H LEU 45 2.293 -20.964 6.435 359 HA LEU 45 HA LEU 45 2.602 -23.315 7.871 360 HB2 LEU 45 HB2 LEU 45 0.851 -22.394 9.166 361 HB3 LEU 45 HB3 LEU 45 1.861 -21.077 8.655 362 HG LEU 45 HG LEU 45 -0.595 -21.750 7.010 363 HD11 LEU 45 HD11 LEU 45 -0.572 -20.119 9.543 364 HD12 LEU 45 HD12 LEU 45 -1.975 -20.397 8.451 365 HD13 LEU 45 HD13 LEU 45 -1.288 -21.742 9.354 366 HD21 LEU 45 HD23 LEU 45 0.636 -19.068 7.666 367 HD22 LEU 45 HD21 LEU 45 0.840 -19.947 6.144 368 HD23 LEU 45 HD22 LEU 45 -0.757 -19.384 6.589 369 H LEU 46 H LEU 46 1.743 -23.944 4.982 370 HA LEU 46 HA LEU 46 -0.270 -25.937 5.371 371 HB2 LEU 46 HB2 LEU 46 -2.188 -24.886 4.347 372 HB3 LEU 46 HB3 LEU 46 -1.716 -24.012 5.761 373 HG LEU 46 HG LEU 46 -1.636 -23.197 2.935 374 HD11 LEU 46 HD11 LEU 46 -2.507 -21.784 5.449 375 HD12 LEU 46 HD12 LEU 46 -2.794 -21.227 3.778 376 HD13 LEU 46 HD13 LEU 46 -3.549 -22.721 4.363 377 HD21 LEU 46 HD23 LEU 46 0.049 -21.724 4.916 378 HD22 LEU 46 HD21 LEU 46 0.591 -22.534 3.432 379 HD23 LEU 46 HD22 LEU 46 -0.453 -21.114 3.333 380 H VAL 47 H VAL 47 -1.204 -26.733 3.114 381 HA VAL 47 HA VAL 47 0.758 -26.337 0.937 382 HB VAL 47 HB VAL 47 0.014 -29.080 1.989 383 HG11 VAL 47 HG11 VAL 47 1.987 -28.111 -0.124 384 HG12 VAL 47 HG12 VAL 47 1.903 -29.772 0.495 385 HG13 VAL 47 HG13 VAL 47 0.539 -29.108 -0.401 386 HG21 VAL 47 HG23 VAL 47 2.603 -27.490 2.239 387 HG22 VAL 47 HG21 VAL 47 1.495 -27.927 3.559 388 HG23 VAL 47 HG22 VAL 47 2.378 -29.185 2.695 389 H GLN 48 H GLN 48 -0.023 -26.357 -0.960 390 HA GLN 48 HA GLN 48 -2.672 -26.132 -1.723 391 HB2 GLN 48 HB2 GLN 48 -0.254 -27.042 -3.325 392 HB3 GLN 48 HB3 GLN 48 -1.767 -26.490 -4.046 393 HG2 GLN 48 HG2 GLN 48 -1.432 -24.251 -3.413 394 HG3 GLN 48 HG3 GLN 48 -0.333 -24.657 -2.102 395 HE21 GLN 48 HE22 GLN 48 -0.454 -24.273 -5.666 396 HE22 GLN 48 HE21 GLN 48 1.296 -24.440 -5.832 397 H ASN 49 H ASN 49 -0.999 -29.148 -1.187 398 HA ASN 49 HA ASN 49 -2.409 -31.001 -2.739 399 HB2 ASN 49 HB2 ASN 49 -0.335 -31.372 -1.355 400 HB3 ASN 49 HB3 ASN 49 -1.337 -31.326 0.101 401 HD21 ASN 49 HD22 ASN 49 -0.475 -33.493 0.542 402 HD22 ASN 49 HD21 ASN 49 -1.151 -34.859 -0.334 403 H ALA 50 H ALA 50 -3.446 -29.427 0.220 404 HA ALA 50 HA ALA 50 -5.344 -29.590 1.499 405 HB1 ALA 50 HB3 ALA 50 -5.521 -27.880 -0.258 406 HB2 ALA 50 HB1 ALA 50 -6.341 -29.038 -1.318 407 HB3 ALA 50 HB2 ALA 50 -7.118 -28.498 0.187 408 H ASN 51 H ASN 51 -4.915 -32.238 1.489 409 HA ASN 51 HA ASN 51 -7.117 -33.716 0.245 410 HB2 ASN 51 HB2 ASN 51 -5.961 -35.694 1.307 411 HB3 ASN 51 HB3 ASN 51 -5.000 -34.775 0.167 412 HD21 ASN 51 HD22 ASN 51 -4.801 -36.356 3.006 413 HD22 ASN 51 HD21 ASN 51 -3.301 -35.630 3.482 414 HA PRO 52 HA PRO 52 -10.177 -33.357 3.126 415 HB2 PRO 52 HB2 PRO 52 -11.154 -35.889 3.742 416 HB3 PRO 52 HB3 PRO 52 -11.492 -34.963 2.252 417 HG2 PRO 52 HG2 PRO 52 -9.417 -37.121 2.686 418 HG3 PRO 52 HG3 PRO 52 -10.533 -36.908 1.298 419 HD2 PRO 52 HD2 PRO 52 -7.974 -36.124 1.150 420 HD3 PRO 52 HD3 PRO 52 -9.254 -35.100 0.440 421 H ASP 53 H ASP 53 -8.216 -36.093 4.272 422 HA ASP 53 HA ASP 53 -8.795 -36.110 6.985 423 HB2 ASP 53 HB2 ASP 53 -6.615 -37.343 7.102 424 HB3 ASP 53 HB3 ASP 53 -7.744 -37.934 5.884 425 H CYS 54 H CYS 54 -5.718 -34.667 5.710 426 HA CYS 54 HA CYS 54 -4.786 -33.314 7.843 427 HB2 CYS 54 HB2 CYS 54 -3.416 -32.728 6.152 428 HB3 CYS 54 HB3 CYS 54 -4.716 -32.858 4.942 429 HG CYS 54 HG CYS 54 -3.608 -30.365 6.784 430 H LYS 55 H LYS 55 -7.281 -31.782 5.792 431 HA LYS 55 HA LYS 55 -7.405 -29.465 7.520 432 HB2 LYS 55 HB2 LYS 55 -9.246 -30.571 5.417 433 HB3 LYS 55 HB3 LYS 55 -9.630 -29.107 6.326 434 HG2 LYS 55 HG2 LYS 55 -8.479 -27.911 4.810 435 HG3 LYS 55 HG3 LYS 55 -7.042 -28.521 5.585 436 HD2 LYS 55 HD2 LYS 55 -6.716 -28.707 3.272 437 HD3 LYS 55 HD3 LYS 55 -6.914 -30.358 3.792 438 HE2 LYS 55 HE2 LYS 55 -9.258 -28.658 2.759 439 HE3 LYS 55 HE3 LYS 55 -8.150 -29.485 1.663 440 HZ1 LYS 55 HZ3 LYS 55 -8.672 -31.534 2.880 441 HZ2 LYS 55 HZ1 LYS 55 -9.918 -30.798 3.630 442 HZ3 LYS 55 HZ2 LYS 55 -9.906 -30.943 1.969 443 H THR 56 H THR 56 -9.464 -32.368 7.476 444 HA THR 56 HA THR 56 -11.242 -31.636 9.578 445 HB THR 56 HB THR 56 -10.161 -34.388 8.872 446 HG1 THR 56 HG1 THR 56 -11.741 -34.477 7.402 447 HG21 THR 56 HG23 THR 56 -11.527 -34.501 10.896 448 HG22 THR 56 HG21 THR 56 -12.799 -33.525 10.127 449 HG23 THR 56 HG22 THR 56 -12.438 -35.165 9.539 450 H ILE 57 H ILE 57 -7.861 -32.332 9.627 451 HA ILE 57 HA ILE 57 -7.920 -33.051 12.548 452 HB ILE 57 HB ILE 57 -5.669 -33.239 10.546 453 HG12 ILE 57 HG12 ILE 57 -6.981 -35.546 12.022 454 HG13 ILE 57 HG13 ILE 57 -7.742 -34.916 10.572 455 HG21 ILE 57 HG21 ILE 57 -5.761 -33.965 13.511 456 HG22 ILE 57 HG22 ILE 57 -4.493 -34.501 12.392 457 HG23 ILE 57 HG23 ILE 57 -4.684 -32.789 12.726 458 HD11 ILE 57 HD13 ILE 57 -5.604 -35.182 9.322 459 HD12 ILE 57 HD11 ILE 57 -4.910 -36.005 10.735 460 HD13 ILE 57 HD12 ILE 57 -6.306 -36.714 9.889 461 H LEU 58 H LEU 58 -5.764 -30.870 10.523 462 HA LEU 58 HA LEU 58 -4.847 -29.475 12.781 463 HB2 LEU 58 HB2 LEU 58 -5.065 -28.287 9.984 464 HB3 LEU 58 HB3 LEU 58 -4.093 -27.707 11.329 465 HG LEU 58 HG LEU 58 -3.060 -30.123 11.312 466 HD11 LEU 58 HD11 LEU 58 -4.409 -29.952 8.662 467 HD12 LEU 58 HD12 LEU 58 -2.813 -30.799 8.784 468 HD13 LEU 58 HD13 LEU 58 -4.157 -31.328 9.772 469 HD21 LEU 58 HD23 LEU 58 -2.506 -27.748 9.533 470 HD22 LEU 58 HD21 LEU 58 -1.603 -28.364 10.944 471 HD23 LEU 58 HD22 LEU 58 -1.474 -29.177 9.374 472 H LYS 59 H LYS 59 -7.881 -29.039 11.098 473 HA LYS 59 HA LYS 59 -8.789 -26.640 12.147 474 HB2 LYS 59 HB2 LYS 59 -9.940 -29.283 11.498 475 HB3 LYS 59 HB3 LYS 59 -10.915 -28.365 12.600 476 HG2 LYS 59 HG2 LYS 59 -9.788 -27.224 10.001 477 HG3 LYS 59 HG3 LYS 59 -11.342 -27.973 10.162 478 HD2 LYS 59 HD2 LYS 59 -10.290 -25.342 11.249 479 HD3 LYS 59 HD3 LYS 59 -11.767 -25.585 10.332 480 HE2 LYS 59 HE2 LYS 59 -12.915 -26.442 12.311 481 HE3 LYS 59 HE3 LYS 59 -11.395 -26.572 13.197 482 HZ1 LYS 59 HZ3 LYS 59 -11.187 -24.134 13.159 483 HZ2 LYS 59 HZ1 LYS 59 -12.624 -23.991 12.443 484 HZ3 LYS 59 HZ2 LYS 59 -12.486 -24.631 13.956 485 H ALA 60 H ALA 60 -8.087 -29.453 14.034 486 HA ALA 60 HA ALA 60 -8.531 -27.852 16.527 487 HB1 ALA 60 HB3 ALA 60 -10.173 -29.692 16.324 488 HB2 ALA 60 HB1 ALA 60 -8.841 -30.860 16.155 489 HB3 ALA 60 HB2 ALA 60 -9.051 -29.962 17.675 490 H LEU 61 H LEU 61 -6.166 -28.973 14.527 491 HA LEU 61 HA LEU 61 -4.203 -29.393 16.710 492 HB2 LEU 61 HB2 LEU 61 -5.102 -31.315 14.974 493 HB3 LEU 61 HB3 LEU 61 -3.668 -30.794 14.135 494 HG LEU 61 HG LEU 61 -3.635 -31.480 17.112 495 HD11 LEU 61 HD11 LEU 61 -3.168 -33.366 14.786 496 HD12 LEU 61 HD12 LEU 61 -2.853 -33.730 16.497 497 HD13 LEU 61 HD13 LEU 61 -4.508 -33.427 15.946 498 HD21 LEU 61 HD23 LEU 61 -1.461 -31.430 14.978 499 HD22 LEU 61 HD21 LEU 61 -1.658 -30.273 16.305 500 HD23 LEU 61 HD22 LEU 61 -1.235 -31.956 16.660 501 H GLY 62 H GLY 62 -4.646 -26.917 15.939 502 HA2 GLY 62 HA2 GLY 62 -2.079 -26.129 14.577 503 HA3 GLY 62 HA3 GLY 62 -3.507 -25.102 14.695 504 HA PRO 63 HA PRO 63 -1.950 -24.985 19.199 505 HB2 PRO 63 HB2 PRO 63 -0.241 -26.764 20.307 506 HB3 PRO 63 HB3 PRO 63 -1.904 -27.250 19.881 507 HG2 PRO 63 HG2 PRO 63 0.595 -27.598 18.168 508 HG3 PRO 63 HG3 PRO 63 -0.553 -28.873 18.697 509 HD2 PRO 63 HD2 PRO 63 -0.840 -27.645 16.290 510 HD3 PRO 63 HD3 PRO 63 -2.248 -28.075 17.316 511 H ALA 64 H ALA 64 -0.683 -23.853 16.919 512 HA ALA 64 HA ALA 64 1.037 -22.646 16.134 513 HB1 ALA 64 HB3 ALA 64 0.355 -21.382 18.139 514 HB2 ALA 64 HB1 ALA 64 1.634 -22.198 19.073 515 HB3 ALA 64 HB2 ALA 64 2.061 -21.131 17.724 516 H ALA 65 H ALA 65 1.973 -25.572 17.315 517 HA ALA 65 HA ALA 65 4.669 -25.198 16.052 518 HB1 ALA 65 HB3 ALA 65 4.967 -25.221 18.484 519 HB2 ALA 65 HB1 ALA 65 4.079 -26.757 18.612 520 HB3 ALA 65 HB2 ALA 65 5.637 -26.686 17.748 521 H THR 66 H THR 66 2.711 -28.025 17.303 522 HA THR 66 HA THR 66 3.664 -29.866 15.517 523 HB THR 66 HB THR 66 0.761 -29.922 16.366 524 HG1 THR 66 HG1 THR 66 2.862 -30.783 17.984 525 HG21 THR 66 HG23 THR 66 1.465 -31.903 15.117 526 HG22 THR 66 HG21 THR 66 2.928 -32.060 16.089 527 HG23 THR 66 HG22 THR 66 1.328 -32.343 16.821 528 H LEU 67 H LEU 67 1.705 -27.295 14.438 529 HA LEU 67 HA LEU 67 0.426 -28.457 12.150 530 HB2 LEU 67 HB2 LEU 67 0.144 -26.268 13.195 531 HB3 LEU 67 HB3 LEU 67 1.687 -25.743 12.550 532 HG LEU 67 HG LEU 67 -0.981 -26.120 11.102 533 HD11 LEU 67 HD11 LEU 67 1.306 -24.127 10.952 534 HD12 LEU 67 HD12 LEU 67 -0.326 -23.962 10.229 535 HD13 LEU 67 HD13 LEU 67 -0.122 -23.930 11.994 536 HD21 LEU 67 HD23 LEU 67 1.681 -26.304 9.706 537 HD22 LEU 67 HD21 LEU 67 0.338 -27.519 9.780 538 HD23 LEU 67 HD22 LEU 67 0.126 -25.982 8.979 539 H GLU 68 H GLU 68 3.718 -27.052 12.607 540 HA GLU 68 HA GLU 68 4.759 -27.182 10.074 541 HB2 GLU 68 HB2 GLU 68 6.191 -28.181 12.599 542 HB3 GLU 68 HB3 GLU 68 6.983 -27.612 11.119 543 HG2 GLU 68 HG2 GLU 68 6.021 -25.376 11.467 544 HG3 GLU 68 HG3 GLU 68 5.163 -25.967 12.871 545 H GLU 69 H GLU 69 4.226 -30.014 12.079 546 HA GLU 69 HA GLU 69 5.327 -31.805 9.947 547 HB2 GLU 69 HB2 GLU 69 4.430 -33.693 11.195 548 HB3 GLU 69 HB3 GLU 69 5.535 -32.694 12.137 549 HG2 GLU 69 HG2 GLU 69 3.882 -31.891 13.551 550 HG3 GLU 69 HG3 GLU 69 2.580 -32.289 12.431 551 H MET 70 H MET 70 2.130 -30.845 11.152 552 HA MET 70 HA MET 70 0.524 -32.561 9.503 553 HB2 MET 70 HB2 MET 70 -0.116 -30.013 10.875 554 HB3 MET 70 HB3 MET 70 -1.281 -31.221 10.260 555 HG2 MET 70 HG2 MET 70 0.613 -32.318 12.126 556 HG3 MET 70 HG3 MET 70 -0.313 -30.955 12.781 557 HE1 MET 70 HE3 MET 70 -0.077 -34.623 12.761 558 HE2 MET 70 HE1 MET 70 -0.374 -33.618 14.190 559 HE3 MET 70 HE2 MET 70 -1.564 -34.848 13.703 560 H MET 71 H MET 71 1.904 -29.530 8.775 561 HA MET 71 HA MET 71 0.536 -28.359 6.646 562 HB2 MET 71 HB2 MET 71 2.596 -27.439 7.444 563 HB3 MET 71 HB3 MET 71 3.431 -28.941 7.226 564 HG2 MET 71 HG2 MET 71 3.354 -28.506 4.658 565 HG3 MET 71 HG3 MET 71 2.831 -26.892 5.014 566 HE1 MET 71 HE3 MET 71 5.483 -29.481 6.711 567 HE2 MET 71 HE1 MET 71 5.661 -29.503 4.937 568 HE3 MET 71 HE2 MET 71 6.936 -28.808 5.955 569 H THR 72 H THR 72 2.653 -31.188 6.461 570 HA THR 72 HA THR 72 1.049 -32.282 4.207 571 HB THR 72 HB THR 72 3.828 -32.977 4.006 572 HG1 THR 72 HG1 THR 72 4.459 -30.996 4.491 573 HG21 THR 72 HG23 THR 72 2.111 -33.330 2.223 574 HG22 THR 72 HG21 THR 72 1.910 -31.574 2.087 575 HG23 THR 72 HG22 THR 72 3.443 -32.343 1.617 576 H ALA 73 H ALA 73 2.245 -33.110 7.332 577 HA ALA 73 HA ALA 73 3.043 -35.769 6.953 578 HB1 ALA 73 HB3 ALA 73 3.060 -34.667 9.144 579 HB2 ALA 73 HB1 ALA 73 1.281 -34.672 9.186 580 HB3 ALA 73 HB2 ALA 73 2.186 -36.196 9.226 581 H CYS 74 H CYS 74 -0.129 -34.429 6.492 582 HA CYS 74 HA CYS 74 -1.816 -36.704 6.461 583 HB2 CYS 74 HB2 CYS 74 -3.187 -35.144 5.153 584 HB3 CYS 74 HB3 CYS 74 -2.418 -34.369 6.530 585 HG CYS 74 HG CYS 74 -2.545 -33.230 3.754 586 H GLN 75 H GLN 75 0.725 -35.860 4.208 587 HA GLN 75 HA GLN 75 -0.272 -37.254 1.908 588 HB2 GLN 75 HB2 GLN 75 1.804 -36.797 0.987 589 HB3 GLN 75 HB3 GLN 75 1.491 -35.459 2.109 590 HG2 GLN 75 HG2 GLN 75 2.927 -36.836 3.800 591 HG3 GLN 75 HG3 GLN 75 3.470 -37.754 2.396 592 HE21 GLN 75 HE22 GLN 75 4.793 -35.656 4.294 593 HE22 GLN 75 HE21 GLN 75 5.532 -34.533 3.134 594 H GLY 76 H GLY 76 0.732 -38.479 4.912 595 HA2 GLY 76 HA2 GLY 76 0.912 -41.256 3.789 596 HA3 GLY 76 HA3 GLY 76 1.614 -40.734 5.326 597 H VAL 77 H VAL 77 -1.468 -39.316 4.765 598 HA VAL 77 HA VAL 77 -2.819 -41.376 6.517 599 HB VAL 77 HB VAL 77 -3.164 -38.370 6.751 600 HG11 VAL 77 HG11 VAL 77 -4.150 -40.672 8.489 601 HG12 VAL 77 HG12 VAL 77 -4.340 -38.940 8.855 602 HG13 VAL 77 HG13 VAL 77 -5.157 -39.635 7.455 603 HG21 VAL 77 HG23 VAL 77 -1.607 -40.305 8.522 604 HG22 VAL 77 HG21 VAL 77 -0.921 -38.969 7.577 605 HG23 VAL 77 HG22 VAL 77 -1.983 -38.620 8.942 606 H GLY 78 H GLY 78 -3.380 -38.762 4.116 607 HA2 GLY 78 HA2 GLY 78 -5.996 -39.830 3.342 608 HA3 GLY 78 HA3 GLY 78 -5.046 -38.592 2.505 609 H GLY 79 H GLY 79 -2.801 -40.840 2.821 610 HA2 GLY 79 HA2 GLY 79 -1.887 -42.566 1.607 611 HA3 GLY 79 HA3 GLY 79 -3.540 -43.046 1.221 612 HA PRO 80 HA PRO 80 -1.526 -41.721 -2.762 613 HB2 PRO 80 HB2 PRO 80 -1.797 -44.017 -4.198 614 HB3 PRO 80 HB3 PRO 80 -0.545 -43.832 -2.942 615 HG2 PRO 80 HG2 PRO 80 -3.280 -45.118 -2.637 616 HG3 PRO 80 HG3 PRO 80 -1.682 -45.816 -2.212 617 HD2 PRO 80 HD2 PRO 80 -3.263 -44.547 -0.377 618 HD3 PRO 80 HD3 PRO 80 -1.477 -44.434 -0.316 619 H GLY 81 H GLY 81 -4.284 -41.150 -1.739 620 HA2 GLY 81 HA2 GLY 81 -6.296 -41.988 -3.610 621 HA3 GLY 81 HA3 GLY 81 -6.406 -40.610 -2.517 622 H HIS 82 H HIS 82 -6.246 -41.530 -5.713 623 HA HIS 82 HA HIS 82 -4.925 -39.490 -7.082 624 HB2 HIS 82 HB2 HIS 82 -6.329 -40.330 -9.013 625 HB3 HIS 82 HB3 HIS 82 -5.448 -41.538 -8.106 626 HD2 HIS 82 HD2 HIS 82 -8.914 -40.263 -6.864 627 HE1 HIS 82 HE1 HIS 82 -9.327 -44.344 -8.024 628 HE2 HIS 82 HE2 HIS 82 -10.503 -42.356 -6.936 629 H LYS 83 H LYS 83 -6.816 -38.249 -5.049 630 HA LYS 83 HA LYS 83 -8.788 -36.761 -6.550 631 HB2 LYS 83 HB2 LYS 83 -9.096 -35.478 -4.482 632 HB3 LYS 83 HB3 LYS 83 -9.230 -37.219 -4.331 633 HG2 LYS 83 HG2 LYS 83 -8.264 -36.592 -2.366 634 HG3 LYS 83 HG3 LYS 83 -6.941 -37.282 -3.266 635 HD2 LYS 83 HD2 LYS 83 -7.146 -34.352 -3.629 636 HD3 LYS 83 HD3 LYS 83 -7.049 -34.795 -1.930 637 HE2 LYS 83 HE2 LYS 83 -4.953 -35.863 -2.145 638 HE3 LYS 83 HE3 LYS 83 -5.122 -36.035 -3.899 639 HZ1 LYS 83 HZ3 LYS 83 -4.763 -33.758 -4.210 640 HZ2 LYS 83 HZ1 LYS 83 -4.843 -33.375 -2.596 641 HZ3 LYS 83 HZ2 LYS 83 -3.583 -34.211 -3.138 642 H ALA 84 H ALA 84 -8.178 -35.595 -8.176 643 HA ALA 84 HA ALA 84 -5.925 -33.846 -8.355 644 HB1 ALA 84 HB3 ALA 84 -7.216 -34.772 -10.268 645 HB2 ALA 84 HB1 ALA 84 -8.613 -33.774 -9.802 646 HB3 ALA 84 HB2 ALA 84 -7.107 -33.007 -10.347 647 H ARG 85 H ARG 85 -6.416 -31.435 -8.987 648 HA ARG 85 HA ARG 85 -8.443 -30.028 -7.492 649 HB2 ARG 85 HB2 ARG 85 -6.354 -30.347 -5.902 650 HB3 ARG 85 HB3 ARG 85 -5.543 -29.218 -6.974 651 HG2 ARG 85 HG2 ARG 85 -6.336 -27.990 -5.076 652 HG3 ARG 85 HG3 ARG 85 -7.352 -27.521 -6.427 653 HD2 ARG 85 HD2 ARG 85 -8.981 -29.391 -5.559 654 HD3 ARG 85 HD3 ARG 85 -8.010 -29.328 -4.080 655 HE ARG 85 HE ARG 85 -8.684 -26.650 -4.692 656 HH11 ARG 85 HH11 ARG 85 -10.525 -29.495 -3.890 657 HH12 ARG 85 HH12 ARG 85 -11.968 -28.563 -3.511 658 HH21 ARG 85 HH21 ARG 85 -10.524 -25.616 -4.442 659 HH22 ARG 85 HH22 ARG 85 -11.919 -26.323 -3.670 660 H VAL 86 H VAL 86 -8.294 -27.642 -8.085 661 HA VAL 86 HA VAL 86 -6.769 -26.994 -10.526 662 HB VAL 86 HB VAL 86 -8.682 -25.873 -11.603 663 HG11 VAL 86 HG11 VAL 86 -9.150 -28.861 -11.261 664 HG12 VAL 86 HG12 VAL 86 -9.649 -27.841 -12.626 665 HG13 VAL 86 HG13 VAL 86 -7.927 -28.127 -12.320 666 HG21 VAL 86 HG23 VAL 86 -10.438 -27.391 -9.618 667 HG22 VAL 86 HG21 VAL 86 -10.280 -25.621 -9.753 668 HG23 VAL 86 HG22 VAL 86 -10.999 -26.543 -11.069 669 H LEU 87 H LEU 87 -8.905 -25.880 -7.928 670 HA LEU 87 HA LEU 87 -6.952 -23.976 -7.004 671 HB2 LEU 87 HB2 LEU 87 -8.394 -22.721 -8.730 672 HB3 LEU 87 HB3 LEU 87 -9.787 -23.042 -7.709 673 HG LEU 87 HG LEU 87 -8.929 -20.777 -7.471 674 HD11 LEU 87 HD11 LEU 87 -8.331 -22.236 -4.876 675 HD12 LEU 87 HD12 LEU 87 -8.865 -20.566 -5.094 676 HD13 LEU 87 HD13 LEU 87 -9.972 -21.903 -5.481 677 HD21 LEU 87 HD23 LEU 87 -6.381 -21.939 -6.288 678 HD22 LEU 87 HD21 LEU 87 -6.531 -21.343 -7.957 679 HD23 LEU 87 HD22 LEU 87 -6.774 -20.236 -6.598 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -7.293 -1.488 -7.875 2 H2 MET 1 H2 MET 1 -6.929 -2.802 -6.966 3 H3 MET 1 H3 MET 1 -8.272 -2.819 -7.933 4 HA MET 1 HA MET 1 -6.471 -4.114 -8.923 5 HB2 MET 1 HB2 MET 1 -8.077 -2.987 -10.421 6 HB3 MET 1 HB3 MET 1 -7.112 -1.506 -10.376 7 HG2 MET 1 HG2 MET 1 -5.228 -2.687 -11.461 8 HG3 MET 1 HG3 MET 1 -6.137 -4.202 -11.400 9 HE1 MET 1 HE3 MET 1 -7.185 -0.448 -12.495 10 HE2 MET 1 HE1 MET 1 -5.575 -0.785 -13.180 11 HE3 MET 1 HE2 MET 1 -6.986 -0.643 -14.248 12 H SER 2 H SER 2 -4.423 -4.362 -8.206 13 HA SER 2 HA SER 2 -2.292 -2.467 -8.529 14 HB2 SER 2 HB2 SER 2 -2.066 -2.145 -5.970 15 HB3 SER 2 HB3 SER 2 -3.343 -1.212 -6.753 16 HG SER 2 HG SER 2 -3.505 -3.302 -4.960 17 HA PRO 3 HA PRO 3 -0.303 -6.361 -7.189 18 HB2 PRO 3 HB2 PRO 3 2.069 -5.530 -6.119 19 HB3 PRO 3 HB3 PRO 3 1.748 -5.477 -7.880 20 HG2 PRO 3 HG2 PRO 3 1.496 -3.217 -5.871 21 HG3 PRO 3 HG3 PRO 3 2.323 -3.194 -7.461 22 HD2 PRO 3 HD2 PRO 3 -0.217 -2.257 -7.123 23 HD3 PRO 3 HD3 PRO 3 0.276 -3.091 -8.626 24 H THR 4 H THR 4 0.001 -7.509 -5.244 25 HA THR 4 HA THR 4 0.245 -6.371 -2.615 26 HB THR 4 HB THR 4 -1.750 -7.846 -1.775 27 HG1 THR 4 HG1 THR 4 -3.514 -7.353 -3.360 28 HG21 THR 4 HG23 THR 4 -1.592 -5.317 -1.600 29 HG22 THR 4 HG21 THR 4 -2.608 -5.236 -3.058 30 HG23 THR 4 HG22 THR 4 -3.209 -6.021 -1.579 31 H SER 5 H SER 5 0.682 -8.153 -1.075 32 HA SER 5 HA SER 5 1.607 -10.632 -2.450 33 HB2 SER 5 HB2 SER 5 3.441 -8.916 -2.472 34 HB3 SER 5 HB3 SER 5 3.566 -9.203 -0.702 35 HG SER 5 HG SER 5 4.845 -10.769 -1.974 36 H ILE 6 H ILE 6 3.197 -10.477 0.353 37 HA ILE 6 HA ILE 6 1.220 -11.785 2.123 38 HB ILE 6 HB ILE 6 2.242 -13.671 1.359 39 HG12 ILE 6 HG12 ILE 6 3.755 -14.540 3.014 40 HG13 ILE 6 HG13 ILE 6 4.221 -12.944 3.562 41 HG21 ILE 6 HG21 ILE 6 4.948 -12.312 1.120 42 HG22 ILE 6 HG22 ILE 6 4.654 -14.029 0.888 43 HG23 ILE 6 HG23 ILE 6 3.906 -12.880 -0.203 44 HD11 ILE 6 HD13 ILE 6 2.105 -12.545 4.581 45 HD12 ILE 6 HD11 ILE 6 1.329 -13.844 3.662 46 HD13 ILE 6 HD12 ILE 6 2.476 -14.220 4.988 47 H LEU 7 H LEU 7 4.648 -10.624 2.094 48 HA LEU 7 HA LEU 7 4.448 -9.332 4.663 49 HB2 LEU 7 HB2 LEU 7 6.666 -8.618 4.254 50 HB3 LEU 7 HB3 LEU 7 6.489 -10.312 3.823 51 HG LEU 7 HG LEU 7 6.562 -8.064 1.736 52 HD11 LEU 7 HD11 LEU 7 8.827 -9.794 2.784 53 HD12 LEU 7 HD12 LEU 7 8.919 -8.657 1.418 54 HD13 LEU 7 HD13 LEU 7 8.625 -8.043 3.051 55 HD21 LEU 7 HD23 LEU 7 6.968 -11.076 1.499 56 HD22 LEU 7 HD21 LEU 7 5.684 -10.087 0.737 57 HD23 LEU 7 HD22 LEU 7 7.342 -9.905 0.227 58 H ASP 8 H ASP 8 2.400 -8.569 3.510 59 HA ASP 8 HA ASP 8 2.305 -5.705 2.727 60 HB2 ASP 8 HB2 ASP 8 2.818 -6.989 0.711 61 HB3 ASP 8 HB3 ASP 8 1.627 -8.200 1.111 62 H ILE 9 H ILE 9 0.904 -8.679 3.887 63 HA ILE 9 HA ILE 9 -1.631 -7.380 4.762 64 HB ILE 9 HB ILE 9 -2.822 -9.367 4.371 65 HG12 ILE 9 HG12 ILE 9 -0.418 -10.646 3.027 66 HG13 ILE 9 HG13 ILE 9 -0.840 -10.986 4.710 67 HG21 ILE 9 HG21 ILE 9 -1.358 -8.773 1.782 68 HG22 ILE 9 HG22 ILE 9 -3.041 -9.291 1.999 69 HG23 ILE 9 HG23 ILE 9 -2.533 -7.672 2.510 70 HD11 ILE 9 HD13 ILE 9 -3.116 -11.668 3.980 71 HD12 ILE 9 HD11 ILE 9 -2.597 -11.495 2.286 72 HD13 ILE 9 HD12 ILE 9 -1.815 -12.698 3.328 73 H ARG 10 H ARG 10 -2.689 -8.990 6.479 74 HA ARG 10 HA ARG 10 -0.717 -9.653 8.573 75 HB2 ARG 10 HB2 ARG 10 -2.672 -10.348 9.884 76 HB3 ARG 10 HB3 ARG 10 -2.900 -8.733 9.220 77 HG2 ARG 10 HG2 ARG 10 -4.973 -9.728 8.982 78 HG3 ARG 10 HG3 ARG 10 -4.329 -9.844 7.363 79 HD2 ARG 10 HD2 ARG 10 -4.140 -12.160 7.435 80 HD3 ARG 10 HD3 ARG 10 -3.853 -12.198 9.179 81 HE ARG 10 HE ARG 10 -6.560 -11.374 8.547 82 HH11 ARG 10 HH11 ARG 10 -4.561 -14.205 8.717 83 HH12 ARG 10 HH12 ARG 10 -5.815 -15.249 9.325 84 HH21 ARG 10 HH21 ARG 10 -8.245 -12.788 9.130 85 HH22 ARG 10 HH22 ARG 10 -7.910 -14.483 9.331 86 H GLN 11 H GLN 11 -0.474 -11.759 9.426 87 HA GLN 11 HA GLN 11 -1.508 -14.042 7.846 88 HB2 GLN 11 HB2 GLN 11 0.467 -15.309 8.331 89 HB3 GLN 11 HB3 GLN 11 0.857 -13.829 7.473 90 HG2 GLN 11 HG2 GLN 11 1.324 -12.939 9.960 91 HG3 GLN 11 HG3 GLN 11 1.573 -14.646 10.275 92 HE21 GLN 11 HE22 GLN 11 3.839 -15.270 9.929 93 HE22 GLN 11 HE21 GLN 11 4.809 -14.450 8.712 94 H GLY 12 H GLY 12 -2.041 -15.901 9.036 95 HA2 GLY 12 HA2 GLY 12 -2.387 -16.384 11.709 96 HA3 GLY 12 HA3 GLY 12 -3.633 -15.161 11.376 97 HA PRO 13 HA PRO 13 -4.840 -19.055 8.822 98 HB2 PRO 13 HB2 PRO 13 -3.142 -21.066 8.435 99 HB3 PRO 13 HB3 PRO 13 -2.702 -19.404 7.914 100 HG2 PRO 13 HG2 PRO 13 -1.973 -20.664 10.612 101 HG3 PRO 13 HG3 PRO 13 -0.830 -20.112 9.347 102 HD2 PRO 13 HD2 PRO 13 -1.634 -18.476 11.324 103 HD3 PRO 13 HD3 PRO 13 -1.419 -17.884 9.645 104 H LYS 14 H LYS 14 -4.633 -19.070 11.933 105 HA LYS 14 HA LYS 14 -4.528 -21.705 12.985 106 HB2 LYS 14 HB2 LYS 14 -5.878 -19.266 14.162 107 HB3 LYS 14 HB3 LYS 14 -5.622 -20.803 15.003 108 HG2 LYS 14 HG2 LYS 14 -3.170 -20.631 14.595 109 HG3 LYS 14 HG3 LYS 14 -3.420 -19.003 13.929 110 HD2 LYS 14 HD2 LYS 14 -4.335 -18.231 16.071 111 HD3 LYS 14 HD3 LYS 14 -4.261 -19.879 16.732 112 HE2 LYS 14 HE2 LYS 14 -1.813 -19.906 16.516 113 HE3 LYS 14 HE3 LYS 14 -1.832 -18.290 15.791 114 HZ1 LYS 14 HZ3 LYS 14 -2.706 -17.417 17.862 115 HZ2 LYS 14 HZ1 LYS 14 -2.779 -18.911 18.534 116 HZ3 LYS 14 HZ2 LYS 14 -1.319 -18.242 18.174 117 H GLU 15 H GLU 15 -6.807 -21.064 10.915 118 HA GLU 15 HA GLU 15 -8.328 -23.419 11.390 119 HB2 GLU 15 HB2 GLU 15 -9.657 -21.986 12.843 120 HB3 GLU 15 HB3 GLU 15 -9.675 -20.694 11.687 121 HG2 GLU 15 HG2 GLU 15 -11.742 -21.520 11.291 122 HG3 GLU 15 HG3 GLU 15 -10.870 -22.500 10.120 123 HA PRO 16 HA PRO 16 -9.065 -21.428 7.065 124 HB2 PRO 16 HB2 PRO 16 -8.100 -18.886 6.451 125 HB3 PRO 16 HB3 PRO 16 -9.667 -19.226 7.230 126 HG2 PRO 16 HG2 PRO 16 -7.011 -18.547 8.529 127 HG3 PRO 16 HG3 PRO 16 -8.600 -17.737 8.762 128 HD2 PRO 16 HD2 PRO 16 -7.814 -19.588 10.473 129 HD3 PRO 16 HD3 PRO 16 -9.497 -19.597 9.876 130 H PHE 17 H PHE 17 -6.788 -23.016 7.832 131 HA PHE 17 HA PHE 17 -4.319 -22.322 6.681 132 HB2 PHE 17 HB2 PHE 17 -5.459 -24.741 7.558 133 HB3 PHE 17 HB3 PHE 17 -5.044 -25.045 5.913 134 HD1 PHE 17 HD2 PHE 17 -3.279 -23.367 8.834 135 HD2 PHE 17 HD1 PHE 17 -3.143 -26.350 5.713 136 HE1 PHE 17 HE2 PHE 17 -0.929 -23.995 9.475 137 HE2 PHE 17 HE1 PHE 17 -0.830 -26.975 6.419 138 HZ PHE 17 HZ PHE 17 0.275 -25.732 8.235 139 H ARG 18 H ARG 18 -7.148 -23.755 4.793 140 HA ARG 18 HA ARG 18 -5.584 -23.661 2.375 141 HB2 ARG 18 HB2 ARG 18 -7.338 -24.753 1.322 142 HB3 ARG 18 HB3 ARG 18 -7.139 -25.442 2.908 143 HG2 ARG 18 HG2 ARG 18 -9.390 -25.481 2.533 144 HG3 ARG 18 HG3 ARG 18 -9.147 -24.195 3.725 145 HD2 ARG 18 HD2 ARG 18 -9.732 -22.523 2.184 146 HD3 ARG 18 HD3 ARG 18 -9.071 -23.419 0.866 147 HE ARG 18 HE ARG 18 -11.239 -24.139 0.419 148 HH11 ARG 18 HH11 ARG 18 -11.294 -23.087 3.751 149 HH12 ARG 18 HH12 ARG 18 -12.875 -23.606 3.999 150 HH21 ARG 18 HH21 ARG 18 -13.409 -24.526 0.770 151 HH22 ARG 18 HH22 ARG 18 -14.065 -24.352 2.368 152 H ASP 19 H ASP 19 -8.197 -21.865 3.793 153 HA ASP 19 HA ASP 19 -8.886 -20.072 1.735 154 HB2 ASP 19 HB2 ASP 19 -9.026 -19.569 4.715 155 HB3 ASP 19 HB3 ASP 19 -10.087 -18.907 3.492 156 H TYR 20 H TYR 20 -6.174 -20.171 3.677 157 HA TYR 20 HA TYR 20 -5.297 -17.393 2.957 158 HB2 TYR 20 HB2 TYR 20 -5.515 -17.901 5.384 159 HB3 TYR 20 HB3 TYR 20 -4.285 -19.149 5.206 160 HD1 TYR 20 HD1 TYR 20 -1.949 -18.520 4.591 161 HD2 TYR 20 HD2 TYR 20 -4.947 -15.518 5.316 162 HE1 TYR 20 HE1 TYR 20 -0.159 -16.826 4.902 163 HE2 TYR 20 HE2 TYR 20 -3.152 -13.805 5.560 164 HH TYR 20 HH TYR 20 0.293 -14.543 5.180 165 H VAL 21 H VAL 21 -4.198 -20.850 2.993 166 HA VAL 21 HA VAL 21 -1.557 -20.340 2.234 167 HB VAL 21 HB VAL 21 -2.489 -22.515 3.082 168 HG11 VAL 21 HG11 VAL 21 -2.980 -23.405 0.282 169 HG12 VAL 21 HG12 VAL 21 -3.433 -24.153 1.853 170 HG13 VAL 21 HG13 VAL 21 -4.256 -22.705 1.235 171 HG21 VAL 21 HG23 VAL 21 -0.749 -22.894 0.677 172 HG22 VAL 21 HG21 VAL 21 -0.172 -22.225 2.207 173 HG23 VAL 21 HG22 VAL 21 -0.886 -23.820 2.183 174 H ASP 22 H ASP 22 -4.331 -20.915 0.025 175 HA ASP 22 HA ASP 22 -2.681 -20.791 -2.342 176 HB2 ASP 22 HB2 ASP 22 -5.504 -20.868 -1.644 177 HB3 ASP 22 HB3 ASP 22 -5.235 -19.683 -2.895 178 H ARG 23 H ARG 23 -4.254 -18.382 -0.432 179 HA ARG 23 HA ARG 23 -3.729 -16.078 -2.126 180 HB2 ARG 23 HB2 ARG 23 -4.010 -15.578 0.799 181 HB3 ARG 23 HB3 ARG 23 -4.814 -14.816 -0.565 182 HG2 ARG 23 HG2 ARG 23 -5.516 -17.482 0.693 183 HG3 ARG 23 HG3 ARG 23 -6.382 -15.974 0.931 184 HD2 ARG 23 HD2 ARG 23 -6.058 -16.984 -1.888 185 HD3 ARG 23 HD3 ARG 23 -7.097 -17.892 -0.780 186 HE ARG 23 HE ARG 23 -7.770 -15.165 -0.530 187 HH11 ARG 23 HH11 ARG 23 -8.208 -17.696 -2.885 188 HH12 ARG 23 HH12 ARG 23 -9.376 -16.798 -3.813 189 HH21 ARG 23 HH21 ARG 23 -9.356 -14.061 -1.713 190 HH22 ARG 23 HH22 ARG 23 -10.085 -14.848 -3.082 191 H PHE 24 H PHE 24 -1.962 -17.553 0.557 192 HA PHE 24 HA PHE 24 0.238 -15.714 0.572 193 HB2 PHE 24 HB2 PHE 24 -0.389 -17.100 2.443 194 HB3 PHE 24 HB3 PHE 24 -0.225 -18.572 1.509 195 HD1 PHE 24 HD2 PHE 24 2.013 -19.392 0.780 196 HD2 PHE 24 HD1 PHE 24 1.523 -16.214 3.632 197 HE1 PHE 24 HE2 PHE 24 4.383 -19.496 1.278 198 HE2 PHE 24 HE1 PHE 24 3.876 -16.541 4.363 199 HZ PHE 24 HZ PHE 24 5.387 -18.024 3.024 200 H TYR 25 H TYR 25 0.152 -19.124 -0.834 201 HA TYR 25 HA TYR 25 2.793 -18.672 -1.934 202 HB2 TYR 25 HB2 TYR 25 0.850 -20.937 -2.297 203 HB3 TYR 25 HB3 TYR 25 2.268 -20.806 -3.298 204 HD1 TYR 25 HD1 TYR 25 4.625 -21.087 -2.304 205 HD2 TYR 25 HD2 TYR 25 1.064 -21.695 0.037 206 HE1 TYR 25 HE1 TYR 25 5.885 -22.587 -0.761 207 HE2 TYR 25 HE2 TYR 25 2.306 -23.154 1.525 208 HH TYR 25 HH TYR 25 5.585 -24.343 1.128 209 H LYS 26 H LYS 26 -0.351 -17.837 -3.219 210 HA LYS 26 HA LYS 26 -0.054 -17.435 -5.900 211 HB2 LYS 26 HB2 LYS 26 -2.011 -16.769 -4.918 212 HB3 LYS 26 HB3 LYS 26 -1.251 -15.831 -3.664 213 HG2 LYS 26 HG2 LYS 26 -1.326 -14.936 -6.567 214 HG3 LYS 26 HG3 LYS 26 -2.634 -14.626 -5.438 215 HD2 LYS 26 HD2 LYS 26 0.189 -13.570 -5.169 216 HD3 LYS 26 HD3 LYS 26 -1.217 -12.652 -5.683 217 HE2 LYS 26 HE2 LYS 26 -2.218 -12.877 -3.445 218 HE3 LYS 26 HE3 LYS 26 -0.913 -13.969 -2.965 219 HZ1 LYS 26 HZ3 LYS 26 0.666 -12.228 -3.204 220 HZ2 LYS 26 HZ1 LYS 26 -0.466 -11.113 -3.632 221 HZ3 LYS 26 HZ2 LYS 26 -0.465 -11.790 -2.123 222 H THR 27 H THR 27 1.753 -15.517 -3.498 223 HA THR 27 HA THR 27 3.501 -14.594 -5.754 224 HB THR 27 HB THR 27 4.282 -12.906 -3.830 225 HG1 THR 27 HG1 THR 27 2.998 -12.536 -2.407 226 HG21 THR 27 HG23 THR 27 3.629 -12.124 -5.977 227 HG22 THR 27 HG21 THR 27 1.931 -12.508 -5.687 228 HG23 THR 27 HG22 THR 27 2.723 -11.201 -4.769 229 H LEU 28 H LEU 28 3.604 -15.631 -2.311 230 HA LEU 28 HA LEU 28 6.240 -15.436 -2.025 231 HB2 LEU 28 HB2 LEU 28 4.533 -16.029 -0.325 232 HB3 LEU 28 HB3 LEU 28 4.632 -17.707 -0.841 233 HG LEU 28 HG LEU 28 5.967 -16.840 1.211 234 HD11 LEU 28 HD11 LEU 28 7.508 -18.480 -0.833 235 HD12 LEU 28 HD12 LEU 28 7.667 -18.508 0.932 236 HD13 LEU 28 HD13 LEU 28 6.193 -19.104 0.134 237 HD21 LEU 28 HD23 LEU 28 8.015 -15.980 -0.813 238 HD22 LEU 28 HD21 LEU 28 6.953 -14.884 0.084 239 HD23 LEU 28 HD22 LEU 28 8.090 -15.899 0.968 240 H ARG 29 H ARG 29 4.763 -18.130 -3.548 241 HA ARG 29 HA ARG 29 6.387 -20.274 -3.843 242 HB2 ARG 29 HB2 ARG 29 5.414 -20.521 -6.118 243 HB3 ARG 29 HB3 ARG 29 4.237 -20.047 -4.899 244 HG2 ARG 29 HG2 ARG 29 4.481 -17.664 -5.577 245 HG3 ARG 29 HG3 ARG 29 5.700 -18.069 -6.751 246 HD2 ARG 29 HD2 ARG 29 2.973 -19.369 -6.812 247 HD3 ARG 29 HD3 ARG 29 3.205 -17.762 -7.516 248 HE ARG 29 HE ARG 29 4.222 -20.335 -8.523 249 HH11 ARG 29 HH11 ARG 29 4.481 -16.866 -8.853 250 HH12 ARG 29 HH12 ARG 29 5.246 -16.960 -10.425 251 HH21 ARG 29 HH21 ARG 29 5.250 -20.401 -10.517 252 HH22 ARG 29 HH22 ARG 29 5.702 -18.926 -11.315 253 H ALA 30 H ALA 30 7.631 -17.338 -4.849 254 HA ALA 30 HA ALA 30 10.101 -18.411 -5.708 255 HB1 ALA 30 HB3 ALA 30 8.925 -18.759 -7.876 256 HB2 ALA 30 HB1 ALA 30 8.455 -17.039 -7.896 257 HB3 ALA 30 HB2 ALA 30 10.167 -17.502 -8.026 258 H GLU 31 H GLU 31 8.135 -15.862 -4.601 259 HA GLU 31 HA GLU 31 9.760 -13.527 -5.069 260 HB2 GLU 31 HB2 GLU 31 7.465 -13.217 -4.647 261 HB3 GLU 31 HB3 GLU 31 7.447 -14.454 -3.400 262 HG2 GLU 31 HG2 GLU 31 8.588 -13.011 -1.834 263 HG3 GLU 31 HG3 GLU 31 8.664 -11.715 -3.055 264 H GLN 32 H GLN 32 9.750 -16.166 -2.703 265 HA GLN 32 HA GLN 32 12.271 -14.969 -1.605 266 HB2 GLN 32 HB2 GLN 32 11.818 -15.682 0.506 267 HB3 GLN 32 HB3 GLN 32 10.246 -15.208 -0.062 268 HG2 GLN 32 HG2 GLN 32 9.934 -17.217 1.171 269 HG3 GLN 32 HG3 GLN 32 9.714 -17.637 -0.528 270 HE21 GLN 32 HE22 GLN 32 12.823 -17.151 1.192 271 HE22 GLN 32 HE21 GLN 32 13.330 -18.838 0.977 272 H ALA 33 H ALA 33 10.752 -18.030 -2.627 273 HA ALA 33 HA ALA 33 12.930 -18.733 -4.284 274 HB1 ALA 33 HB3 ALA 33 13.991 -19.381 -2.072 275 HB2 ALA 33 HB1 ALA 33 12.633 -20.508 -1.834 276 HB3 ALA 33 HB2 ALA 33 13.753 -20.735 -3.187 277 H SER 34 H SER 34 12.598 -21.117 -5.048 278 HA SER 34 HA SER 34 9.973 -21.499 -6.060 279 HB2 SER 34 HB2 SER 34 12.001 -22.467 -7.073 280 HB3 SER 34 HB3 SER 34 12.123 -23.612 -5.715 281 HG SER 34 HG SER 34 10.320 -24.611 -6.387 282 H GLN 35 H GLN 35 8.248 -22.000 -5.015 283 HA GLN 35 HA GLN 35 7.343 -22.834 -2.678 284 HB2 GLN 35 HB2 GLN 35 5.992 -22.544 -4.685 285 HB3 GLN 35 HB3 GLN 35 6.692 -23.968 -5.412 286 HG2 GLN 35 HG2 GLN 35 5.488 -25.028 -3.118 287 HG3 GLN 35 HG3 GLN 35 4.391 -23.725 -3.573 288 HE21 GLN 35 HE22 GLN 35 6.016 -26.664 -4.762 289 HE22 GLN 35 HE21 GLN 35 4.875 -26.918 -6.101 290 H GLU 36 H GLU 36 8.580 -24.097 -1.237 291 HA GLU 36 HA GLU 36 9.192 -26.913 -2.027 292 HB2 GLU 36 HB2 GLU 36 11.027 -24.981 -1.666 293 HB3 GLU 36 HB3 GLU 36 10.789 -25.398 0.018 294 HG2 GLU 36 HG2 GLU 36 11.194 -27.876 -0.852 295 HG3 GLU 36 HG3 GLU 36 11.895 -27.074 -2.254 296 H VAL 37 H VAL 37 9.710 -28.406 -0.251 297 HA VAL 37 HA VAL 37 7.863 -28.434 2.022 298 HB VAL 37 HB VAL 37 9.893 -30.333 0.856 299 HG11 VAL 37 HG11 VAL 37 8.493 -30.817 3.519 300 HG12 VAL 37 HG12 VAL 37 9.450 -31.985 2.603 301 HG13 VAL 37 HG13 VAL 37 10.247 -30.571 3.306 302 HG21 VAL 37 HG23 VAL 37 6.943 -30.590 1.630 303 HG22 VAL 37 HG21 VAL 37 7.537 -30.221 -0.005 304 HG23 VAL 37 HG22 VAL 37 7.905 -31.788 0.740 305 H LYS 38 H LYS 38 11.285 -27.387 1.582 306 HA LYS 38 HA LYS 38 11.588 -27.151 4.500 307 HB2 LYS 38 HB2 LYS 38 13.205 -26.016 2.239 308 HB3 LYS 38 HB3 LYS 38 13.524 -25.618 3.926 309 HG2 LYS 38 HG2 LYS 38 13.704 -27.994 4.520 310 HG3 LYS 38 HG3 LYS 38 13.527 -28.466 2.840 311 HD2 LYS 38 HD2 LYS 38 15.777 -26.669 3.868 312 HD3 LYS 38 HD3 LYS 38 15.862 -28.422 3.838 313 HE2 LYS 38 HE2 LYS 38 17.023 -27.715 1.915 314 HE3 LYS 38 HE3 LYS 38 15.481 -28.388 1.356 315 HZ1 LYS 38 HZ3 LYS 38 14.652 -26.294 0.898 316 HZ2 LYS 38 HZ1 LYS 38 15.803 -25.467 1.733 317 HZ3 LYS 38 HZ2 LYS 38 16.099 -26.230 0.285 318 H ASN 39 H ASN 39 9.216 -26.191 3.464 319 HA ASN 39 HA ASN 39 8.499 -23.517 3.773 320 HB2 ASN 39 HB2 ASN 39 6.957 -25.178 3.031 321 HB3 ASN 39 HB3 ASN 39 7.392 -26.313 4.298 322 HD21 ASN 39 HD22 ASN 39 4.916 -24.274 3.309 323 HD22 ASN 39 HD21 ASN 39 4.289 -23.936 4.906 324 H ALA 40 H ALA 40 9.290 -25.949 6.274 325 HA ALA 40 HA ALA 40 8.811 -24.628 8.630 326 HB1 ALA 40 HB3 ALA 40 9.649 -26.946 8.332 327 HB2 ALA 40 HB1 ALA 40 11.227 -26.311 7.807 328 HB3 ALA 40 HB2 ALA 40 10.682 -26.045 9.468 329 H MET 41 H MET 41 11.172 -23.583 6.286 330 HA MET 41 HA MET 41 12.736 -22.052 8.307 331 HB2 MET 41 HB2 MET 41 13.402 -22.588 5.385 332 HB3 MET 41 HB3 MET 41 14.466 -21.925 6.629 333 HG2 MET 41 HG2 MET 41 14.262 -24.105 7.881 334 HG3 MET 41 HG3 MET 41 13.337 -24.744 6.522 335 HE1 MET 41 HE3 MET 41 16.694 -22.553 6.818 336 HE2 MET 41 HE1 MET 41 16.777 -23.886 7.994 337 HE3 MET 41 HE2 MET 41 17.871 -23.864 6.594 338 H THR 42 H THR 42 10.013 -21.321 6.786 339 HA THR 42 HA THR 42 10.752 -18.530 6.069 340 HB THR 42 HB THR 42 8.933 -19.113 4.079 341 HG1 THR 42 HG1 THR 42 10.689 -21.284 4.034 342 HG21 THR 42 HG23 THR 42 11.151 -18.067 3.737 343 HG22 THR 42 HG21 THR 42 11.963 -19.607 4.093 344 HG23 THR 42 HG22 THR 42 10.953 -19.452 2.644 345 H GLU 43 H GLU 43 8.705 -17.337 5.375 346 HA GLU 43 HA GLU 43 6.921 -17.134 7.646 347 HB2 GLU 43 HB2 GLU 43 5.768 -15.460 6.225 348 HB3 GLU 43 HB3 GLU 43 7.489 -15.145 6.451 349 HG2 GLU 43 HG2 GLU 43 6.490 -16.570 3.985 350 HG3 GLU 43 HG3 GLU 43 6.354 -14.817 4.103 351 H THR 44 H THR 44 6.855 -19.155 4.999 352 HA THR 44 HA THR 44 4.061 -19.488 4.571 353 HB THR 44 HB THR 44 5.640 -20.096 2.881 354 HG1 THR 44 HG1 THR 44 4.498 -22.435 3.021 355 HG21 THR 44 HG23 THR 44 7.431 -21.086 3.692 356 HG22 THR 44 HG21 THR 44 6.574 -22.247 4.691 357 HG23 THR 44 HG22 THR 44 6.598 -22.411 2.901 358 H LEU 45 H LEU 45 3.449 -19.364 6.643 359 HA LEU 45 HA LEU 45 3.345 -21.356 8.543 360 HB2 LEU 45 HB2 LEU 45 0.843 -19.829 7.910 361 HB3 LEU 45 HB3 LEU 45 1.516 -20.254 9.475 362 HG LEU 45 HG LEU 45 3.367 -18.451 8.589 363 HD11 LEU 45 HD11 LEU 45 0.633 -17.524 7.458 364 HD12 LEU 45 HD12 LEU 45 2.179 -16.627 7.397 365 HD13 LEU 45 HD13 LEU 45 1.948 -18.081 6.443 366 HD21 LEU 45 HD23 LEU 45 0.753 -17.786 9.949 367 HD22 LEU 45 HD21 LEU 45 2.223 -18.430 10.731 368 HD23 LEU 45 HD22 LEU 45 2.253 -16.831 9.978 369 H LEU 46 H LEU 46 2.487 -22.397 5.614 370 HA LEU 46 HA LEU 46 0.593 -24.430 6.273 371 HB2 LEU 46 HB2 LEU 46 -1.196 -23.415 4.661 372 HB3 LEU 46 HB3 LEU 46 -1.178 -22.990 6.317 373 HG LEU 46 HG LEU 46 -1.416 -21.239 4.262 374 HD11 LEU 46 HD11 LEU 46 -0.831 -20.993 7.095 375 HD12 LEU 46 HD12 LEU 46 -0.783 -19.516 6.119 376 HD13 LEU 46 HD13 LEU 46 -2.239 -20.558 6.115 377 HD21 LEU 46 HD23 LEU 46 1.277 -20.351 5.128 378 HD22 LEU 46 HD21 LEU 46 1.109 -21.417 3.731 379 HD23 LEU 46 HD22 LEU 46 0.285 -19.844 3.763 380 H VAL 47 H VAL 47 -0.345 -25.505 4.210 381 HA VAL 47 HA VAL 47 1.078 -25.070 1.724 382 HB VAL 47 HB VAL 47 1.362 -27.717 3.202 383 HG11 VAL 47 HG11 VAL 47 1.970 -27.096 0.273 384 HG12 VAL 47 HG12 VAL 47 2.506 -28.547 1.156 385 HG13 VAL 47 HG13 VAL 47 0.788 -28.282 0.888 386 HG21 VAL 47 HG23 VAL 47 3.199 -25.618 2.007 387 HG22 VAL 47 HG21 VAL 47 3.046 -26.109 3.712 388 HG23 VAL 47 HG22 VAL 47 3.791 -27.200 2.502 389 H GLN 48 H GLN 48 0.052 -25.787 -0.018 390 HA GLN 48 HA GLN 48 -2.716 -25.531 -0.012 391 HB2 GLN 48 HB2 GLN 48 -0.790 -26.458 -2.159 392 HB3 GLN 48 HB3 GLN 48 -2.479 -26.039 -2.475 393 HG2 GLN 48 HG2 GLN 48 -2.171 -23.756 -1.799 394 HG3 GLN 48 HG3 GLN 48 -0.584 -24.092 -1.103 395 HE21 GLN 48 HE22 GLN 48 -2.118 -22.915 -3.909 396 HE22 GLN 48 HE21 GLN 48 -0.668 -23.038 -4.921 397 H ASN 49 H ASN 49 -1.138 -28.522 0.556 398 HA ASN 49 HA ASN 49 -3.117 -30.344 -0.385 399 HB2 ASN 49 HB2 ASN 49 -1.940 -31.865 1.158 400 HB3 ASN 49 HB3 ASN 49 -0.806 -30.929 0.192 401 HD21 ASN 49 HD22 ASN 49 0.952 -31.032 1.657 402 HD22 ASN 49 HD21 ASN 49 0.847 -30.302 3.263 403 H ALA 50 H ALA 50 -3.540 -27.992 1.900 404 HA ALA 50 HA ALA 50 -4.544 -28.921 4.188 405 HB1 ALA 50 HB3 ALA 50 -4.016 -26.641 3.666 406 HB2 ALA 50 HB1 ALA 50 -5.336 -26.546 2.505 407 HB3 ALA 50 HB2 ALA 50 -5.688 -26.691 4.249 408 H ASN 51 H ASN 51 -5.803 -30.740 4.250 409 HA ASN 51 HA ASN 51 -8.416 -30.855 2.852 410 HB2 ASN 51 HB2 ASN 51 -8.115 -33.174 2.724 411 HB3 ASN 51 HB3 ASN 51 -6.528 -32.534 2.434 412 HD21 ASN 51 HD22 ASN 51 -7.057 -35.262 3.316 413 HD22 ASN 51 HD21 ASN 51 -6.328 -35.357 4.916 414 HA PRO 52 HA PRO 52 -10.658 -30.798 6.692 415 HB2 PRO 52 HB2 PRO 52 -11.987 -33.099 7.307 416 HB3 PRO 52 HB3 PRO 52 -12.434 -32.041 5.935 417 HG2 PRO 52 HG2 PRO 52 -10.806 -34.587 5.879 418 HG3 PRO 52 HG3 PRO 52 -12.119 -34.082 4.771 419 HD2 PRO 52 HD2 PRO 52 -9.461 -33.815 4.212 420 HD3 PRO 52 HD3 PRO 52 -10.679 -32.668 3.570 421 H ASP 53 H ASP 53 -8.678 -33.749 6.627 422 HA ASP 53 HA ASP 53 -8.514 -34.306 9.391 423 HB2 ASP 53 HB2 ASP 53 -8.043 -35.932 7.681 424 HB3 ASP 53 HB3 ASP 53 -6.777 -34.936 6.979 425 H CYS 54 H CYS 54 -5.795 -32.925 7.428 426 HA CYS 54 HA CYS 54 -4.223 -32.305 9.627 427 HB2 CYS 54 HB2 CYS 54 -3.171 -30.558 8.181 428 HB3 CYS 54 HB3 CYS 54 -3.233 -32.222 7.542 429 HG CYS 54 HG CYS 54 -3.446 -30.572 5.559 430 H LYS 55 H LYS 55 -6.281 -30.018 7.981 431 HA LYS 55 HA LYS 55 -6.165 -27.755 9.640 432 HB2 LYS 55 HB2 LYS 55 -8.475 -29.021 8.195 433 HB3 LYS 55 HB3 LYS 55 -8.879 -27.904 9.478 434 HG2 LYS 55 HG2 LYS 55 -8.792 -26.392 7.786 435 HG3 LYS 55 HG3 LYS 55 -7.173 -26.253 8.413 436 HD2 LYS 55 HD2 LYS 55 -6.369 -26.686 6.374 437 HD3 LYS 55 HD3 LYS 55 -6.977 -28.314 6.423 438 HE2 LYS 55 HE2 LYS 55 -8.510 -25.826 5.481 439 HE3 LYS 55 HE3 LYS 55 -7.821 -27.086 4.431 440 HZ1 LYS 55 HZ3 LYS 55 -9.256 -28.667 5.610 441 HZ2 LYS 55 HZ1 LYS 55 -9.997 -27.445 6.396 442 HZ3 LYS 55 HZ2 LYS 55 -10.129 -27.558 4.743 443 H THR 56 H THR 56 -8.289 -30.522 10.390 444 HA THR 56 HA THR 56 -9.218 -29.535 12.899 445 HB THR 56 HB THR 56 -9.026 -32.433 11.975 446 HG1 THR 56 HG1 THR 56 -10.208 -31.548 10.449 447 HG21 THR 56 HG23 THR 56 -9.725 -32.310 14.317 448 HG22 THR 56 HG21 THR 56 -10.898 -31.027 13.930 449 HG23 THR 56 HG22 THR 56 -11.126 -32.677 13.307 450 H ILE 57 H ILE 57 -6.265 -30.999 11.988 451 HA ILE 57 HA ILE 57 -5.516 -31.833 14.745 452 HB ILE 57 HB ILE 57 -4.075 -32.091 12.091 453 HG12 ILE 57 HG12 ILE 57 -5.100 -34.322 13.885 454 HG13 ILE 57 HG13 ILE 57 -6.182 -33.547 12.737 455 HG21 ILE 57 HG21 ILE 57 -3.207 -33.092 14.833 456 HG22 ILE 57 HG22 ILE 57 -2.432 -33.505 13.290 457 HG23 ILE 57 HG23 ILE 57 -2.387 -31.848 13.867 458 HD11 ILE 57 HD13 ILE 57 -4.686 -34.074 10.875 459 HD12 ILE 57 HD11 ILE 57 -3.590 -34.933 11.980 460 HD13 ILE 57 HD12 ILE 57 -5.246 -35.523 11.726 461 H LEU 58 H LEU 58 -3.793 -29.717 12.283 462 HA LEU 58 HA LEU 58 -2.167 -28.454 14.156 463 HB2 LEU 58 HB2 LEU 58 -3.279 -27.252 11.571 464 HB3 LEU 58 HB3 LEU 58 -1.953 -26.610 12.534 465 HG LEU 58 HG LEU 58 -0.951 -29.025 12.250 466 HD11 LEU 58 HD11 LEU 58 -2.905 -28.844 9.993 467 HD12 LEU 58 HD12 LEU 58 -1.379 -29.796 9.813 468 HD13 LEU 58 HD13 LEU 58 -2.508 -30.197 11.088 469 HD21 LEU 58 HD23 LEU 58 -0.938 -26.650 10.384 470 HD22 LEU 58 HD21 LEU 58 0.344 -27.251 11.483 471 HD23 LEU 58 HD22 LEU 58 0.031 -28.073 9.949 472 H LYS 59 H LYS 59 -5.482 -27.824 13.487 473 HA LYS 59 HA LYS 59 -6.015 -25.397 14.765 474 HB2 LYS 59 HB2 LYS 59 -7.425 -28.001 14.565 475 HB3 LYS 59 HB3 LYS 59 -8.017 -26.899 15.798 476 HG2 LYS 59 HG2 LYS 59 -7.478 -25.767 13.045 477 HG3 LYS 59 HG3 LYS 59 -8.888 -26.793 13.251 478 HD2 LYS 59 HD2 LYS 59 -8.291 -24.435 15.097 479 HD3 LYS 59 HD3 LYS 59 -9.193 -24.230 13.600 480 HE2 LYS 59 HE2 LYS 59 -10.012 -26.275 15.697 481 HE3 LYS 59 HE3 LYS 59 -10.538 -24.586 15.786 482 HZ1 LYS 59 HZ3 LYS 59 -11.762 -24.768 13.870 483 HZ2 LYS 59 HZ1 LYS 59 -10.958 -25.934 13.227 484 HZ3 LYS 59 HZ2 LYS 59 -12.024 -26.272 14.477 485 H ALA 60 H ALA 60 -4.951 -28.299 16.365 486 HA ALA 60 HA ALA 60 -4.428 -26.683 18.841 487 HB1 ALA 60 HB3 ALA 60 -6.127 -28.434 19.228 488 HB2 ALA 60 HB1 ALA 60 -4.990 -29.669 18.633 489 HB3 ALA 60 HB2 ALA 60 -4.628 -28.768 20.120 490 H LEU 61 H LEU 61 -3.006 -28.367 16.234 491 HA LEU 61 HA LEU 61 -0.452 -28.773 17.655 492 HB2 LEU 61 HB2 LEU 61 -2.112 -30.504 16.150 493 HB3 LEU 61 HB3 LEU 61 -0.721 -30.245 15.146 494 HG LEU 61 HG LEU 61 -0.597 -31.065 18.091 495 HD11 LEU 61 HD11 LEU 61 -0.433 -32.839 15.627 496 HD12 LEU 61 HD12 LEU 61 -0.150 -33.352 17.305 497 HD13 LEU 61 HD13 LEU 61 -1.759 -32.798 16.815 498 HD21 LEU 61 HD23 LEU 61 1.488 -31.180 15.877 499 HD22 LEU 61 HD21 LEU 61 1.497 -30.074 17.271 500 HD23 LEU 61 HD22 LEU 61 1.689 -31.817 17.524 501 H GLY 62 H GLY 62 -1.374 -26.348 16.355 502 HA2 GLY 62 HA2 GLY 62 1.080 -25.749 14.728 503 HA3 GLY 62 HA3 GLY 62 -0.432 -24.839 14.646 504 HA PRO 63 HA PRO 63 1.319 -23.361 18.839 505 HB2 PRO 63 HB2 PRO 63 3.159 -24.692 20.309 506 HB3 PRO 63 HB3 PRO 63 1.497 -25.324 20.151 507 HG2 PRO 63 HG2 PRO 63 3.920 -26.102 18.468 508 HG3 PRO 63 HG3 PRO 63 2.843 -27.189 19.410 509 HD2 PRO 63 HD2 PRO 63 2.414 -26.711 16.765 510 HD3 PRO 63 HD3 PRO 63 1.070 -26.892 17.939 511 H ALA 64 H ALA 64 2.423 -22.923 16.246 512 HA ALA 64 HA ALA 64 4.105 -22.008 15.038 513 HB1 ALA 64 HB3 ALA 64 3.522 -20.201 16.619 514 HB2 ALA 64 HB1 ALA 64 4.854 -20.721 17.682 515 HB3 ALA 64 HB2 ALA 64 5.204 -20.108 16.058 516 H ALA 65 H ALA 65 4.856 -24.658 16.288 517 HA ALA 65 HA ALA 65 7.581 -24.589 15.131 518 HB1 ALA 65 HB3 ALA 65 8.002 -24.338 17.548 519 HB2 ALA 65 HB1 ALA 65 7.002 -25.766 17.900 520 HB3 ALA 65 HB2 ALA 65 8.518 -25.933 16.976 521 H THR 66 H THR 66 5.489 -27.051 16.852 522 HA THR 66 HA THR 66 6.034 -29.109 15.104 523 HB THR 66 HB THR 66 3.234 -28.948 16.177 524 HG1 THR 66 HG1 THR 66 5.172 -29.667 17.950 525 HG21 THR 66 HG23 THR 66 3.925 -31.085 15.278 526 HG22 THR 66 HG21 THR 66 5.466 -31.040 16.145 527 HG23 THR 66 HG22 THR 66 3.952 -31.256 17.038 528 H LEU 67 H LEU 67 4.283 -26.385 14.142 529 HA LEU 67 HA LEU 67 2.560 -27.371 12.100 530 HB2 LEU 67 HB2 LEU 67 2.852 -25.134 13.086 531 HB3 LEU 67 HB3 LEU 67 4.321 -24.921 12.155 532 HG LEU 67 HG LEU 67 1.412 -24.863 11.251 533 HD11 LEU 67 HD11 LEU 67 3.912 -23.246 10.606 534 HD12 LEU 67 HD12 LEU 67 2.225 -22.782 10.269 535 HD13 LEU 67 HD13 LEU 67 2.808 -22.858 11.942 536 HD21 LEU 67 HD23 LEU 67 3.714 -25.509 9.415 537 HD22 LEU 67 HD21 LEU 67 2.218 -26.445 9.724 538 HD23 LEU 67 HD22 LEU 67 2.157 -24.855 8.897 539 H GLU 68 H GLU 68 6.062 -26.514 11.996 540 HA GLU 68 HA GLU 68 6.720 -26.975 9.391 541 HB2 GLU 68 HB2 GLU 68 8.167 -28.124 11.886 542 HB3 GLU 68 HB3 GLU 68 8.969 -27.794 10.354 543 HG2 GLU 68 HG2 GLU 68 8.669 -25.397 10.724 544 HG3 GLU 68 HG3 GLU 68 7.685 -25.693 12.110 545 H GLU 69 H GLU 69 6.170 -29.567 11.739 546 HA GLU 69 HA GLU 69 6.706 -31.645 9.661 547 HB2 GLU 69 HB2 GLU 69 5.956 -33.300 11.235 548 HB3 GLU 69 HB3 GLU 69 7.185 -32.245 11.940 549 HG2 GLU 69 HG2 GLU 69 5.681 -31.182 13.364 550 HG3 GLU 69 HG3 GLU 69 4.247 -31.777 12.520 551 H MET 70 H MET 70 3.943 -30.045 11.138 552 HA MET 70 HA MET 70 1.844 -31.750 10.211 553 HB2 MET 70 HB2 MET 70 1.819 -28.918 10.950 554 HB3 MET 70 HB3 MET 70 0.442 -30.020 10.696 555 HG2 MET 70 HG2 MET 70 2.468 -30.762 12.669 556 HG3 MET 70 HG3 MET 70 1.285 -29.506 13.054 557 HE1 MET 70 HE3 MET 70 2.052 -33.248 12.283 558 HE2 MET 70 HE1 MET 70 2.044 -32.848 14.008 559 HE3 MET 70 HE2 MET 70 0.845 -33.984 13.358 560 H MET 71 H MET 71 3.500 -29.197 8.687 561 HA MET 71 HA MET 71 1.883 -28.347 6.564 562 HB2 MET 71 HB2 MET 71 3.808 -27.136 6.831 563 HB3 MET 71 HB3 MET 71 4.852 -28.502 7.073 564 HG2 MET 71 HG2 MET 71 3.495 -28.092 4.401 565 HG3 MET 71 HG3 MET 71 4.828 -27.073 4.755 566 HE1 MET 71 HE3 MET 71 7.098 -28.200 5.832 567 HE2 MET 71 HE1 MET 71 6.558 -29.795 6.413 568 HE3 MET 71 HE2 MET 71 7.791 -29.688 5.164 569 H THR 72 H THR 72 4.048 -31.229 6.499 570 HA THR 72 HA THR 72 2.324 -32.388 4.366 571 HB THR 72 HB THR 72 4.490 -33.956 4.579 572 HG1 THR 72 HG1 THR 72 5.583 -31.389 4.695 573 HG21 THR 72 HG23 THR 72 3.607 -33.116 2.444 574 HG22 THR 72 HG21 THR 72 4.201 -31.482 2.805 575 HG23 THR 72 HG22 THR 72 5.349 -32.810 2.499 576 H ALA 73 H ALA 73 2.975 -32.845 7.758 577 HA ALA 73 HA ALA 73 2.799 -35.639 7.920 578 HB1 ALA 73 HB3 ALA 73 3.095 -34.109 9.877 579 HB2 ALA 73 HB1 ALA 73 1.344 -33.748 9.795 580 HB3 ALA 73 HB2 ALA 73 1.901 -35.386 10.145 581 H CYS 74 H CYS 74 0.286 -33.430 7.063 582 HA CYS 74 HA CYS 74 -2.137 -34.832 7.173 583 HB2 CYS 74 HB2 CYS 74 -2.761 -33.317 5.377 584 HB3 CYS 74 HB3 CYS 74 -1.622 -32.468 6.468 585 HG CYS 74 HG CYS 74 -1.039 -31.646 4.154 586 H GLN 75 H GLN 75 0.594 -35.480 4.996 587 HA GLN 75 HA GLN 75 -1.054 -37.187 3.246 588 HB2 GLN 75 HB2 GLN 75 0.532 -36.739 1.637 589 HB3 GLN 75 HB3 GLN 75 0.512 -35.245 2.589 590 HG2 GLN 75 HG2 GLN 75 2.699 -35.349 2.788 591 HG3 GLN 75 HG3 GLN 75 2.534 -36.758 3.804 592 HE21 GLN 75 HE22 GLN 75 2.075 -38.905 2.181 593 HE22 GLN 75 HE21 GLN 75 3.298 -38.946 0.895 594 H GLY 76 H GLY 76 0.697 -37.629 5.988 595 HA2 GLY 76 HA2 GLY 76 1.173 -40.536 5.440 596 HA3 GLY 76 HA3 GLY 76 2.112 -39.585 6.605 597 H VAL 77 H VAL 77 -0.761 -38.203 7.027 598 HA VAL 77 HA VAL 77 -1.810 -40.199 9.015 599 HB VAL 77 HB VAL 77 -2.444 -37.250 8.592 600 HG11 VAL 77 HG11 VAL 77 -3.520 -39.216 10.673 601 HG12 VAL 77 HG12 VAL 77 -3.741 -37.446 10.713 602 HG13 VAL 77 HG13 VAL 77 -4.464 -38.377 9.420 603 HG21 VAL 77 HG23 VAL 77 -1.091 -38.675 10.929 604 HG22 VAL 77 HG21 VAL 77 -0.232 -37.730 9.705 605 HG23 VAL 77 HG22 VAL 77 -1.391 -36.929 10.776 606 H GLY 78 H GLY 78 -2.797 -38.287 6.150 607 HA2 GLY 78 HA2 GLY 78 -4.803 -40.342 5.455 608 HA3 GLY 78 HA3 GLY 78 -5.369 -38.694 5.750 609 H GLY 79 H GLY 79 -6.122 -38.707 3.541 610 HA2 GLY 79 HA2 GLY 79 -4.280 -37.620 1.603 611 HA3 GLY 79 HA3 GLY 79 -4.689 -39.298 1.229 612 HA PRO 80 HA PRO 80 -7.936 -36.303 -0.390 613 HB2 PRO 80 HB2 PRO 80 -7.707 -36.677 -3.086 614 HB3 PRO 80 HB3 PRO 80 -6.615 -35.602 -2.161 615 HG2 PRO 80 HG2 PRO 80 -6.126 -38.478 -3.004 616 HG3 PRO 80 HG3 PRO 80 -5.036 -37.068 -3.201 617 HD2 PRO 80 HD2 PRO 80 -4.786 -38.818 -1.116 618 HD3 PRO 80 HD3 PRO 80 -4.465 -37.069 -0.912 619 H GLY 81 H GLY 81 -7.358 -39.720 -1.133 620 HA2 GLY 81 HA2 GLY 81 -8.880 -41.480 -1.422 621 HA3 GLY 81 HA3 GLY 81 -10.218 -40.360 -1.146 622 H HIS 82 H HIS 82 -11.230 -41.519 -2.923 623 HA HIS 82 HA HIS 82 -10.988 -40.105 -5.414 624 HB2 HIS 82 HB2 HIS 82 -10.546 -41.906 -6.906 625 HB3 HIS 82 HB3 HIS 82 -9.245 -41.879 -5.739 626 HD2 HIS 82 HD2 HIS 82 -11.602 -43.673 -3.715 627 HE1 HIS 82 HE1 HIS 82 -10.217 -46.708 -6.363 628 HE2 HIS 82 HE2 HIS 82 -11.419 -46.254 -4.157 629 H LYS 83 H LYS 83 -12.796 -40.959 -7.005 630 HA LYS 83 HA LYS 83 -14.904 -42.558 -5.711 631 HB2 LYS 83 HB2 LYS 83 -15.169 -40.154 -4.968 632 HB3 LYS 83 HB3 LYS 83 -15.334 -39.710 -6.669 633 HG2 LYS 83 HG2 LYS 83 -17.305 -41.541 -6.598 634 HG3 LYS 83 HG3 LYS 83 -17.229 -41.267 -4.865 635 HD2 LYS 83 HD2 LYS 83 -17.794 -38.920 -5.161 636 HD3 LYS 83 HD3 LYS 83 -17.568 -39.042 -6.926 637 HE2 LYS 83 HE2 LYS 83 -19.388 -40.724 -7.051 638 HE3 LYS 83 HE3 LYS 83 -19.674 -40.549 -5.313 639 HZ1 LYS 83 HZ3 LYS 83 -20.256 -38.224 -5.709 640 HZ2 LYS 83 HZ1 LYS 83 -19.945 -38.380 -7.320 641 HZ3 LYS 83 HZ2 LYS 83 -21.199 -39.195 -6.645 642 H ALA 84 H ALA 84 -16.070 -43.690 -7.180 643 HA ALA 84 HA ALA 84 -15.578 -43.695 -9.987 644 HB1 ALA 84 HB3 ALA 84 -16.514 -45.605 -8.729 645 HB2 ALA 84 HB1 ALA 84 -17.993 -44.675 -8.392 646 HB3 ALA 84 HB2 ALA 84 -17.587 -45.138 -10.058 647 H ARG 85 H ARG 85 -17.135 -43.204 -11.691 648 HA ARG 85 HA ARG 85 -19.096 -41.043 -11.199 649 HB2 ARG 85 HB2 ARG 85 -16.864 -40.887 -13.282 650 HB3 ARG 85 HB3 ARG 85 -18.288 -39.846 -13.253 651 HG2 ARG 85 HG2 ARG 85 -17.613 -39.056 -10.954 652 HG3 ARG 85 HG3 ARG 85 -16.084 -39.931 -11.150 653 HD2 ARG 85 HD2 ARG 85 -17.152 -37.745 -12.994 654 HD3 ARG 85 HD3 ARG 85 -15.915 -37.512 -11.750 655 HE ARG 85 HE ARG 85 -14.701 -39.416 -13.132 656 HH11 ARG 85 HH11 ARG 85 -16.394 -36.675 -14.546 657 HH12 ARG 85 HH12 ARG 85 -15.294 -36.584 -15.892 658 HH21 ARG 85 HH21 ARG 85 -13.432 -39.307 -14.961 659 HH22 ARG 85 HH22 ARG 85 -13.770 -38.114 -16.175 660 H VAL 86 H VAL 86 -20.497 -40.738 -12.969 661 HA VAL 86 HA VAL 86 -20.789 -42.752 -15.059 662 HB VAL 86 HB VAL 86 -23.204 -43.078 -14.506 663 HG11 VAL 86 HG11 VAL 86 -21.378 -44.101 -12.305 664 HG12 VAL 86 HG12 VAL 86 -22.914 -44.799 -12.853 665 HG13 VAL 86 HG13 VAL 86 -21.512 -44.793 -13.936 666 HG21 VAL 86 HG23 VAL 86 -22.525 -41.950 -11.747 667 HG22 VAL 86 HG21 VAL 86 -23.532 -41.139 -12.971 668 HG23 VAL 86 HG22 VAL 86 -24.065 -42.664 -12.272 669 H LEU 87 H LEU 87 -23.030 -41.963 -16.168 670 HA LEU 87 HA LEU 87 -22.843 -39.055 -16.715 671 HB2 LEU 87 HB2 LEU 87 -23.930 -39.458 -18.738 672 HB3 LEU 87 HB3 LEU 87 -22.724 -40.738 -18.651 673 HG LEU 87 HG LEU 87 -25.740 -40.985 -18.172 674 HD11 LEU 87 HD11 LEU 87 -23.925 -42.066 -20.363 675 HD12 LEU 87 HD12 LEU 87 -25.685 -42.304 -20.228 676 HD13 LEU 87 HD13 LEU 87 -25.036 -40.683 -20.511 677 HD21 LEU 87 HD23 LEU 87 -23.579 -43.134 -18.050 678 HD22 LEU 87 HD21 LEU 87 -24.703 -42.636 -16.749 679 HD23 LEU 87 HD22 LEU 87 -25.329 -43.456 -18.174 Start of MODEL 16 1 H1 MET 1 H1 MET 1 2.394 -8.441 -12.668 2 H2 MET 1 H2 MET 1 2.515 -6.851 -12.352 3 H3 MET 1 H3 MET 1 1.623 -7.355 -13.655 4 HA MET 1 HA MET 1 0.206 -6.692 -11.767 5 HB2 MET 1 HB2 MET 1 0.202 -9.652 -12.509 6 HB3 MET 1 HB3 MET 1 -1.090 -8.855 -11.601 7 HG2 MET 1 HG2 MET 1 -1.495 -7.300 -13.460 8 HG3 MET 1 HG3 MET 1 -0.222 -8.083 -14.412 9 HE1 MET 1 HE3 MET 1 -3.301 -7.603 -15.351 10 HE2 MET 1 HE1 MET 1 -2.054 -8.323 -16.401 11 HE3 MET 1 HE2 MET 1 -3.611 -9.146 -16.173 12 H SER 2 H SER 2 -0.705 -7.895 -9.666 13 HA SER 2 HA SER 2 -0.197 -8.071 -7.391 14 HB2 SER 2 HB2 SER 2 0.216 -10.466 -7.011 15 HB3 SER 2 HB3 SER 2 -0.954 -10.182 -8.314 16 HG SER 2 HG SER 2 1.796 -10.788 -8.534 17 HA PRO 3 HA PRO 3 4.418 -7.451 -6.952 18 HB2 PRO 3 HB2 PRO 3 4.479 -4.902 -6.014 19 HB3 PRO 3 HB3 PRO 3 4.396 -5.255 -7.767 20 HG2 PRO 3 HG2 PRO 3 2.103 -4.564 -5.897 21 HG3 PRO 3 HG3 PRO 3 2.479 -3.844 -7.494 22 HD2 PRO 3 HD2 PRO 3 0.647 -5.863 -7.169 23 HD3 PRO 3 HD3 PRO 3 1.660 -5.719 -8.639 24 H THR 4 H THR 4 1.508 -7.013 -5.092 25 HA THR 4 HA THR 4 2.476 -6.800 -2.453 26 HB THR 4 HB THR 4 -0.075 -8.195 -3.368 27 HG1 THR 4 HG1 THR 4 -0.591 -5.739 -2.903 28 HG21 THR 4 HG23 THR 4 0.304 -8.152 -0.931 29 HG22 THR 4 HG21 THR 4 0.543 -6.392 -0.983 30 HG23 THR 4 HG22 THR 4 -1.039 -7.099 -1.390 31 H SER 5 H SER 5 3.303 -8.238 -1.079 32 HA SER 5 HA SER 5 3.847 -11.043 -1.616 33 HB2 SER 5 HB2 SER 5 4.927 -10.714 0.698 34 HB3 SER 5 HB3 SER 5 5.558 -9.740 -0.632 35 HG SER 5 HG SER 5 5.123 -8.585 1.344 36 H ILE 6 H ILE 6 3.693 -12.283 0.806 37 HA ILE 6 HA ILE 6 0.819 -12.567 1.428 38 HB ILE 6 HB ILE 6 1.936 -14.540 1.544 39 HG12 ILE 6 HG12 ILE 6 0.349 -14.135 3.405 40 HG13 ILE 6 HG13 ILE 6 1.455 -15.468 3.603 41 HG21 ILE 6 HG21 ILE 6 4.240 -13.223 2.872 42 HG22 ILE 6 HG22 ILE 6 3.905 -14.905 3.306 43 HG23 ILE 6 HG23 ILE 6 4.159 -14.502 1.628 44 HD11 ILE 6 HD13 ILE 6 2.838 -14.260 5.167 45 HD12 ILE 6 HD11 ILE 6 1.664 -12.930 5.178 46 HD13 ILE 6 HD12 ILE 6 1.174 -14.540 5.699 47 H LEU 7 H LEU 7 3.533 -10.878 2.840 48 HA LEU 7 HA LEU 7 2.311 -10.199 5.358 49 HB2 LEU 7 HB2 LEU 7 4.748 -9.084 3.910 50 HB3 LEU 7 HB3 LEU 7 4.323 -8.750 5.588 51 HG LEU 7 HG LEU 7 5.023 -11.506 4.474 52 HD11 LEU 7 HD11 LEU 7 6.586 -9.622 6.289 53 HD12 LEU 7 HD12 LEU 7 7.067 -11.261 5.787 54 HD13 LEU 7 HD13 LEU 7 6.951 -9.972 4.578 55 HD21 LEU 7 HD23 LEU 7 4.435 -10.564 7.313 56 HD22 LEU 7 HD21 LEU 7 3.500 -11.755 6.370 57 HD23 LEU 7 HD22 LEU 7 5.137 -12.141 6.889 58 H ASP 8 H ASP 8 0.384 -9.608 4.148 59 HA ASP 8 HA ASP 8 -0.212 -6.727 3.950 60 HB2 ASP 8 HB2 ASP 8 0.586 -7.012 1.726 61 HB3 ASP 8 HB3 ASP 8 -0.004 -8.664 1.617 62 H ILE 9 H ILE 9 -1.205 -10.077 3.257 63 HA ILE 9 HA ILE 9 -3.973 -9.662 4.121 64 HB ILE 9 HB ILE 9 -2.990 -12.425 3.865 65 HG12 ILE 9 HG12 ILE 9 -2.990 -10.708 1.374 66 HG13 ILE 9 HG13 ILE 9 -1.604 -11.529 2.117 67 HG21 ILE 9 HG21 ILE 9 -5.304 -10.961 2.531 68 HG22 ILE 9 HG22 ILE 9 -5.145 -12.719 2.720 69 HG23 ILE 9 HG23 ILE 9 -5.415 -11.701 4.132 70 HD11 ILE 9 HD13 ILE 9 -2.766 -13.724 1.767 71 HD12 ILE 9 HD11 ILE 9 -3.971 -12.849 0.782 72 HD13 ILE 9 HD12 ILE 9 -2.270 -12.870 0.293 73 H ARG 10 H ARG 10 -4.856 -11.095 5.868 74 HA ARG 10 HA ARG 10 -3.976 -10.535 8.335 75 HB2 ARG 10 HB2 ARG 10 -5.669 -12.105 9.155 76 HB3 ARG 10 HB3 ARG 10 -6.205 -11.224 7.744 77 HG2 ARG 10 HG2 ARG 10 -6.963 -13.296 7.190 78 HG3 ARG 10 HG3 ARG 10 -5.414 -13.342 6.385 79 HD2 ARG 10 HD2 ARG 10 -4.940 -15.240 7.474 80 HD3 ARG 10 HD3 ARG 10 -4.859 -14.347 8.976 81 HE ARG 10 HE ARG 10 -6.966 -15.155 9.608 82 HH11 ARG 10 HH11 ARG 10 -6.597 -16.042 6.175 83 HH12 ARG 10 HH12 ARG 10 -8.174 -16.827 6.210 84 HH21 ARG 10 HH21 ARG 10 -8.943 -16.408 9.375 85 HH22 ARG 10 HH22 ARG 10 -9.264 -17.034 7.754 86 H GLN 11 H GLN 11 -2.005 -12.655 6.800 87 HA GLN 11 HA GLN 11 -0.527 -14.308 7.346 88 HB2 GLN 11 HB2 GLN 11 1.195 -13.279 8.472 89 HB3 GLN 11 HB3 GLN 11 0.310 -12.077 7.517 90 HG2 GLN 11 HG2 GLN 11 -0.755 -11.240 9.627 91 HG3 GLN 11 HG3 GLN 11 0.225 -12.396 10.544 92 HE21 GLN 11 HE22 GLN 11 2.752 -12.061 9.143 93 HE22 GLN 11 HE21 GLN 11 3.258 -10.416 9.513 94 H GLY 12 H GLY 12 -2.793 -14.441 9.451 95 HA2 GLY 12 HA2 GLY 12 -1.716 -16.610 11.095 96 HA3 GLY 12 HA3 GLY 12 -2.221 -15.088 11.885 97 HA PRO 13 HA PRO 13 -6.280 -17.228 10.298 98 HB2 PRO 13 HB2 PRO 13 -6.021 -19.745 9.233 99 HB3 PRO 13 HB3 PRO 13 -5.942 -18.267 8.229 100 HG2 PRO 13 HG2 PRO 13 -3.648 -19.896 9.353 101 HG3 PRO 13 HG3 PRO 13 -3.857 -19.286 7.699 102 HD2 PRO 13 HD2 PRO 13 -2.329 -17.991 9.530 103 HD3 PRO 13 HD3 PRO 13 -3.251 -17.057 8.352 104 H LYS 14 H LYS 14 -3.546 -18.961 11.478 105 HA LYS 14 HA LYS 14 -3.136 -20.646 13.019 106 HB2 LYS 14 HB2 LYS 14 -3.705 -18.942 14.606 107 HB3 LYS 14 HB3 LYS 14 -5.433 -19.268 14.447 108 HG2 LYS 14 HG2 LYS 14 -5.183 -21.483 15.442 109 HG3 LYS 14 HG3 LYS 14 -3.431 -21.285 15.547 110 HD2 LYS 14 HD2 LYS 14 -5.447 -19.444 16.912 111 HD3 LYS 14 HD3 LYS 14 -4.812 -20.891 17.686 112 HE2 LYS 14 HE2 LYS 14 -3.037 -18.645 16.628 113 HE3 LYS 14 HE3 LYS 14 -3.665 -18.681 18.277 114 HZ1 LYS 14 HZ3 LYS 14 -2.493 -20.708 18.689 115 HZ2 LYS 14 HZ1 LYS 14 -2.039 -20.891 17.128 116 HZ3 LYS 14 HZ2 LYS 14 -1.406 -19.670 18.027 117 H GLU 15 H GLU 15 -6.642 -20.672 12.334 118 HA GLU 15 HA GLU 15 -6.696 -23.638 12.494 119 HB2 GLU 15 HB2 GLU 15 -7.815 -22.612 14.301 120 HB3 GLU 15 HB3 GLU 15 -8.684 -21.470 13.315 121 HG2 GLU 15 HG2 GLU 15 -9.089 -24.400 12.841 122 HG3 GLU 15 HG3 GLU 15 -9.789 -23.663 14.277 123 HA PRO 16 HA PRO 16 -9.343 -22.377 8.564 124 HB2 PRO 16 HB2 PRO 16 -8.474 -19.703 7.713 125 HB3 PRO 16 HB3 PRO 16 -10.101 -20.338 8.100 126 HG2 PRO 16 HG2 PRO 16 -8.155 -18.863 9.789 127 HG3 PRO 16 HG3 PRO 16 -9.934 -18.941 9.928 128 HD2 PRO 16 HD2 PRO 16 -8.329 -20.233 11.649 129 HD3 PRO 16 HD3 PRO 16 -9.859 -20.910 11.106 130 H PHE 17 H PHE 17 -7.449 -24.015 8.402 131 HA PHE 17 HA PHE 17 -5.111 -23.469 6.984 132 HB2 PHE 17 HB2 PHE 17 -6.634 -25.882 7.609 133 HB3 PHE 17 HB3 PHE 17 -5.994 -25.979 5.989 134 HD1 PHE 17 HD1 PHE 17 -4.575 -24.494 9.162 135 HD2 PHE 17 HD2 PHE 17 -4.097 -27.480 6.056 136 HE1 PHE 17 HE1 PHE 17 -2.270 -25.002 9.957 137 HE2 PHE 17 HE2 PHE 17 -1.785 -27.931 6.880 138 HZ PHE 17 HZ PHE 17 -0.895 -26.664 8.810 139 H ARG 18 H ARG 18 -8.153 -24.584 5.332 140 HA ARG 18 HA ARG 18 -7.031 -24.192 2.726 141 HB2 ARG 18 HB2 ARG 18 -9.201 -24.697 1.877 142 HB3 ARG 18 HB3 ARG 18 -8.822 -25.736 3.245 143 HG2 ARG 18 HG2 ARG 18 -11.032 -25.243 3.675 144 HG3 ARG 18 HG3 ARG 18 -10.207 -24.064 4.681 145 HD2 ARG 18 HD2 ARG 18 -11.487 -22.513 3.675 146 HD3 ARG 18 HD3 ARG 18 -10.424 -22.666 2.300 147 HE ARG 18 HE ARG 18 -11.986 -23.986 1.140 148 HH11 ARG 18 HH11 ARG 18 -13.328 -22.969 4.206 149 HH12 ARG 18 HH12 ARG 18 -14.901 -23.612 3.858 150 HH21 ARG 18 HH21 ARG 18 -14.052 -24.745 0.732 151 HH22 ARG 18 HH22 ARG 18 -15.314 -24.529 1.908 152 H ASP 19 H ASP 19 -9.012 -22.160 4.689 153 HA ASP 19 HA ASP 19 -9.816 -20.123 2.852 154 HB2 ASP 19 HB2 ASP 19 -11.020 -20.404 4.872 155 HB3 ASP 19 HB3 ASP 19 -9.560 -20.375 5.842 156 H TYR 20 H TYR 20 -6.837 -20.669 4.322 157 HA TYR 20 HA TYR 20 -5.836 -18.008 3.388 158 HB2 TYR 20 HB2 TYR 20 -5.967 -18.388 5.933 159 HB3 TYR 20 HB3 TYR 20 -4.633 -19.514 5.693 160 HD1 TYR 20 HD1 TYR 20 -5.637 -16.096 4.460 161 HD2 TYR 20 HD2 TYR 20 -2.457 -18.552 6.028 162 HE1 TYR 20 HE1 TYR 20 -4.112 -14.176 4.367 163 HE2 TYR 20 HE2 TYR 20 -0.918 -16.603 5.953 164 HH TYR 20 HH TYR 20 -1.866 -13.445 4.603 165 H VAL 21 H VAL 21 -5.172 -21.496 3.507 166 HA VAL 21 HA VAL 21 -2.512 -21.329 2.595 167 HB VAL 21 HB VAL 21 -3.776 -23.423 3.378 168 HG11 VAL 21 HG11 VAL 21 -4.340 -23.956 0.484 169 HG12 VAL 21 HG12 VAL 21 -4.800 -24.892 1.923 170 HG13 VAL 21 HG13 VAL 21 -5.573 -23.339 1.556 171 HG21 VAL 21 HG23 VAL 21 -2.034 -23.739 0.965 172 HG22 VAL 21 HG21 VAL 21 -1.439 -23.254 2.553 173 HG23 VAL 21 HG22 VAL 21 -2.314 -24.769 2.412 174 H ASP 22 H ASP 22 -5.541 -21.460 0.642 175 HA ASP 22 HA ASP 22 -4.281 -21.423 -1.875 176 HB2 ASP 22 HB2 ASP 22 -6.883 -20.505 -0.663 177 HB3 ASP 22 HB3 ASP 22 -6.577 -20.313 -2.353 178 H ARG 23 H ARG 23 -5.411 -18.858 0.124 179 HA ARG 23 HA ARG 23 -4.674 -16.660 -1.603 180 HB2 ARG 23 HB2 ARG 23 -5.067 -16.048 1.298 181 HB3 ARG 23 HB3 ARG 23 -5.747 -15.290 -0.138 182 HG2 ARG 23 HG2 ARG 23 -6.630 -17.862 1.182 183 HG3 ARG 23 HG3 ARG 23 -7.497 -16.330 1.226 184 HD2 ARG 23 HD2 ARG 23 -6.883 -17.547 -1.471 185 HD3 ARG 23 HD3 ARG 23 -8.068 -18.338 -0.433 186 HE ARG 23 HE ARG 23 -8.622 -15.553 -0.535 187 HH11 ARG 23 HH11 ARG 23 -8.837 -18.364 -2.580 188 HH12 ARG 23 HH12 ARG 23 -9.951 -17.630 -3.700 189 HH21 ARG 23 HH21 ARG 23 -10.154 -14.675 -1.920 190 HH22 ARG 23 HH22 ARG 23 -10.734 -15.588 -3.283 191 H PHE 24 H PHE 24 -2.915 -18.256 0.920 192 HA PHE 24 HA PHE 24 -0.675 -16.325 0.800 193 HB2 PHE 24 HB2 PHE 24 -1.395 -17.422 2.870 194 HB3 PHE 24 HB3 PHE 24 -1.063 -19.000 2.168 195 HD1 PHE 24 HD2 PHE 24 1.735 -16.831 1.260 196 HD2 PHE 24 HD1 PHE 24 -0.076 -18.830 4.610 197 HE1 PHE 24 HE2 PHE 24 3.918 -16.988 2.350 198 HE2 PHE 24 HE1 PHE 24 2.106 -18.969 5.667 199 HZ PHE 24 HZ PHE 24 4.203 -18.235 4.426 200 H TYR 25 H TYR 25 -1.140 -19.814 -0.243 201 HA TYR 25 HA TYR 25 1.449 -20.084 -1.355 202 HB2 TYR 25 HB2 TYR 25 -1.124 -21.529 -1.778 203 HB3 TYR 25 HB3 TYR 25 0.086 -21.651 -3.019 204 HD1 TYR 25 HD1 TYR 25 0.751 -21.460 0.722 205 HD2 TYR 25 HD2 TYR 25 0.775 -23.894 -2.836 206 HE1 TYR 25 HE1 TYR 25 2.232 -23.088 1.846 207 HE2 TYR 25 HE2 TYR 25 2.324 -25.497 -1.718 208 HH TYR 25 HH TYR 25 3.555 -24.973 1.600 209 H LYS 26 H LYS 26 -1.331 -18.430 -2.714 210 HA LYS 26 HA LYS 26 -0.768 -17.519 -5.203 211 HB2 LYS 26 HB2 LYS 26 -2.606 -16.808 -3.814 212 HB3 LYS 26 HB3 LYS 26 -1.528 -16.036 -2.668 213 HG2 LYS 26 HG2 LYS 26 -1.658 -14.990 -5.483 214 HG3 LYS 26 HG3 LYS 26 -2.973 -14.630 -4.371 215 HD2 LYS 26 HD2 LYS 26 -0.101 -14.034 -3.686 216 HD3 LYS 26 HD3 LYS 26 -1.100 -12.889 -4.574 217 HE2 LYS 26 HE2 LYS 26 -2.636 -12.734 -2.646 218 HE3 LYS 26 HE3 LYS 26 -1.685 -13.952 -1.781 219 HZ1 LYS 26 HZ3 LYS 26 0.171 -12.468 -1.698 220 HZ2 LYS 26 HZ1 LYS 26 -0.551 -11.327 -2.606 221 HZ3 LYS 26 HZ2 LYS 26 -1.094 -11.650 -1.103 222 H THR 27 H THR 27 1.107 -16.456 -2.361 223 HA THR 27 HA THR 27 3.016 -15.000 -4.138 224 HB THR 27 HB THR 27 3.332 -13.841 -1.699 225 HG1 THR 27 HG1 THR 27 1.737 -14.188 -0.551 226 HG21 THR 27 HG23 THR 27 3.286 -12.501 -3.537 227 HG22 THR 27 HG21 THR 27 1.737 -13.126 -4.117 228 HG23 THR 27 HG22 THR 27 1.799 -12.081 -2.672 229 H LEU 28 H LEU 28 2.862 -16.974 -1.110 230 HA LEU 28 HA LEU 28 5.582 -17.204 -0.622 231 HB2 LEU 28 HB2 LEU 28 4.052 -18.268 0.737 232 HB3 LEU 28 HB3 LEU 28 3.330 -19.176 -0.585 233 HG LEU 28 HG LEU 28 6.117 -19.937 -0.387 234 HD11 LEU 28 HD11 LEU 28 4.589 -20.114 2.234 235 HD12 LEU 28 HD12 LEU 28 6.184 -20.828 1.889 236 HD13 LEU 28 HD13 LEU 28 5.989 -19.068 1.949 237 HD21 LEU 28 HD23 LEU 28 3.626 -21.421 0.398 238 HD22 LEU 28 HD21 LEU 28 4.185 -21.229 -1.278 239 HD23 LEU 28 HD22 LEU 28 5.167 -22.133 -0.104 240 H ARG 29 H ARG 29 3.878 -19.043 -3.243 241 HA ARG 29 HA ARG 29 6.218 -20.098 -4.467 242 HB2 ARG 29 HB2 ARG 29 4.886 -20.693 -6.301 243 HB3 ARG 29 HB3 ARG 29 3.992 -20.923 -4.820 244 HG2 ARG 29 HG2 ARG 29 2.296 -19.883 -5.757 245 HG3 ARG 29 HG3 ARG 29 3.176 -18.355 -5.626 246 HD2 ARG 29 HD2 ARG 29 3.260 -20.307 -7.961 247 HD3 ARG 29 HD3 ARG 29 2.182 -18.910 -7.875 248 HE ARG 29 HE ARG 29 5.178 -18.741 -7.839 249 HH11 ARG 29 HH11 ARG 29 2.198 -17.282 -8.886 250 HH12 ARG 29 HH12 ARG 29 2.999 -16.132 -9.929 251 HH21 ARG 29 HH21 ARG 29 6.149 -17.243 -9.034 252 HH22 ARG 29 HH22 ARG 29 5.235 -16.086 -9.971 253 H ALA 30 H ALA 30 5.953 -16.924 -4.118 254 HA ALA 30 HA ALA 30 7.733 -16.381 -6.430 255 HB1 ALA 30 HB3 ALA 30 5.436 -15.527 -6.938 256 HB2 ALA 30 HB1 ALA 30 5.496 -14.552 -5.454 257 HB3 ALA 30 HB2 ALA 30 6.631 -14.223 -6.772 258 H GLU 31 H GLU 31 7.101 -15.913 -2.990 259 HA GLU 31 HA GLU 31 9.570 -14.206 -2.854 260 HB2 GLU 31 HB2 GLU 31 8.738 -13.081 -0.992 261 HB3 GLU 31 HB3 GLU 31 7.450 -13.102 -2.198 262 HG2 GLU 31 HG2 GLU 31 6.454 -15.086 -0.908 263 HG3 GLU 31 HG3 GLU 31 7.634 -14.753 0.354 264 H GLN 32 H GLN 32 8.058 -17.080 -1.564 265 HA GLN 32 HA GLN 32 10.536 -17.837 -0.080 266 HB2 GLN 32 HB2 GLN 32 7.843 -18.201 0.475 267 HB3 GLN 32 HB3 GLN 32 8.213 -19.710 -0.354 268 HG2 GLN 32 HG2 GLN 32 9.922 -18.763 1.926 269 HG3 GLN 32 HG3 GLN 32 8.336 -19.479 2.254 270 HE21 GLN 32 HE22 GLN 32 11.501 -20.231 0.650 271 HE22 GLN 32 HE21 GLN 32 11.305 -21.959 0.866 272 H ALA 33 H ALA 33 8.909 -18.115 -2.998 273 HA ALA 33 HA ALA 33 9.016 -19.176 -4.964 274 HB1 ALA 33 HB3 ALA 33 11.416 -18.705 -4.923 275 HB2 ALA 33 HB1 ALA 33 11.720 -20.268 -4.124 276 HB3 ALA 33 HB2 ALA 33 11.042 -20.221 -5.763 277 H SER 34 H SER 34 8.929 -21.011 -2.070 278 HA SER 34 HA SER 34 8.650 -23.614 -3.099 279 HB2 SER 34 HB2 SER 34 7.419 -22.319 -0.642 280 HB3 SER 34 HB3 SER 34 7.471 -24.071 -0.944 281 HG SER 34 HG SER 34 9.247 -22.824 0.284 282 H GLN 35 H GLN 35 7.064 -24.763 -3.967 283 HA GLN 35 HA GLN 35 4.229 -24.348 -3.369 284 HB2 GLN 35 HB2 GLN 35 4.908 -23.103 -5.546 285 HB3 GLN 35 HB3 GLN 35 5.324 -24.661 -6.210 286 HG2 GLN 35 HG2 GLN 35 3.226 -24.767 -7.007 287 HG3 GLN 35 HG3 GLN 35 2.676 -25.065 -5.366 288 HE21 GLN 35 HE22 GLN 35 1.841 -23.140 -4.116 289 HE22 GLN 35 HE21 GLN 35 1.112 -21.881 -5.088 290 H GLU 36 H GLU 36 6.178 -26.143 -2.376 291 HA GLU 36 HA GLU 36 5.740 -28.839 -3.587 292 HB2 GLU 36 HB2 GLU 36 7.631 -27.503 -4.692 293 HB3 GLU 36 HB3 GLU 36 8.447 -27.543 -3.132 294 HG2 GLU 36 HG2 GLU 36 8.425 -30.074 -3.280 295 HG3 GLU 36 HG3 GLU 36 7.696 -29.920 -4.885 296 H VAL 37 H VAL 37 6.960 -30.481 -2.230 297 HA VAL 37 HA VAL 37 6.434 -30.419 0.571 298 HB VAL 37 HB VAL 37 8.389 -32.081 -1.055 299 HG11 VAL 37 HG11 VAL 37 7.228 -32.626 1.722 300 HG12 VAL 37 HG12 VAL 37 8.134 -33.807 0.745 301 HG13 VAL 37 HG13 VAL 37 8.937 -32.355 1.330 302 HG21 VAL 37 HG23 VAL 37 5.521 -32.660 -0.214 303 HG22 VAL 37 HG21 VAL 37 6.088 -32.353 -1.874 304 HG23 VAL 37 HG22 VAL 37 6.606 -33.808 -1.027 305 H LYS 38 H LYS 38 9.172 -29.056 -1.192 306 HA LYS 38 HA LYS 38 10.706 -28.662 1.282 307 HB2 LYS 38 HB2 LYS 38 12.385 -27.593 0.012 308 HB3 LYS 38 HB3 LYS 38 11.895 -29.065 -0.815 309 HG2 LYS 38 HG2 LYS 38 10.676 -27.802 -2.485 310 HG3 LYS 38 HG3 LYS 38 10.915 -26.282 -1.619 311 HD2 LYS 38 HD2 LYS 38 13.246 -26.245 -2.027 312 HD3 LYS 38 HD3 LYS 38 13.303 -27.937 -2.534 313 HE2 LYS 38 HE2 LYS 38 11.593 -25.978 -4.071 314 HE3 LYS 38 HE3 LYS 38 13.345 -25.971 -4.333 315 HZ1 LYS 38 HZ3 LYS 38 13.238 -28.067 -5.326 316 HZ2 LYS 38 HZ1 LYS 38 11.948 -28.554 -4.421 317 HZ3 LYS 38 HZ2 LYS 38 11.647 -27.632 -5.623 318 H ASN 39 H ASN 39 7.952 -27.414 0.964 319 HA ASN 39 HA ASN 39 8.086 -24.575 1.347 320 HB2 ASN 39 HB2 ASN 39 6.057 -26.005 1.024 321 HB3 ASN 39 HB3 ASN 39 6.305 -26.634 2.654 322 HD21 ASN 39 HD22 ASN 39 4.596 -25.784 3.621 323 HD22 ASN 39 HD21 ASN 39 4.202 -24.067 3.693 324 H ALA 40 H ALA 40 9.557 -23.576 2.730 325 HA ALA 40 HA ALA 40 10.621 -25.232 4.968 326 HB1 ALA 40 HB3 ALA 40 12.136 -24.508 3.175 327 HB2 ALA 40 HB1 ALA 40 11.768 -22.807 3.535 328 HB3 ALA 40 HB2 ALA 40 12.610 -23.812 4.737 329 H MET 41 H MET 41 11.503 -24.075 6.864 330 HA MET 41 HA MET 41 9.655 -22.953 8.535 331 HB2 MET 41 HB2 MET 41 12.648 -22.504 8.734 332 HB3 MET 41 HB3 MET 41 11.446 -22.401 10.018 333 HG2 MET 41 HG2 MET 41 12.337 -24.495 10.386 334 HG3 MET 41 HG3 MET 41 10.882 -24.859 9.477 335 HE1 MET 41 HE3 MET 41 14.590 -23.670 8.441 336 HE2 MET 41 HE1 MET 41 14.745 -24.937 9.680 337 HE3 MET 41 HE2 MET 41 15.272 -25.253 8.011 338 H THR 42 H THR 42 8.497 -21.412 7.866 339 HA THR 42 HA THR 42 9.300 -18.584 7.781 340 HB THR 42 HB THR 42 7.869 -18.313 5.617 341 HG1 THR 42 HG1 THR 42 8.403 -21.064 5.401 342 HG21 THR 42 HG23 THR 42 10.439 -18.219 5.697 343 HG22 THR 42 HG21 THR 42 10.420 -19.909 5.134 344 HG23 THR 42 HG22 THR 42 9.697 -18.610 4.148 345 H GLU 43 H GLU 43 7.146 -17.352 7.305 346 HA GLU 43 HA GLU 43 5.071 -17.898 9.146 347 HB2 GLU 43 HB2 GLU 43 3.743 -16.398 7.521 348 HB3 GLU 43 HB3 GLU 43 5.143 -15.726 8.345 349 HG2 GLU 43 HG2 GLU 43 5.526 -16.933 5.607 350 HG3 GLU 43 HG3 GLU 43 4.713 -15.369 5.726 351 H THR 44 H THR 44 5.685 -19.646 6.383 352 HA THR 44 HA THR 44 3.333 -20.552 5.252 353 HB THR 44 HB THR 44 5.662 -20.832 4.526 354 HG1 THR 44 HG1 THR 44 4.994 -22.368 3.182 355 HG21 THR 44 HG23 THR 44 6.464 -22.347 6.416 356 HG22 THR 44 HG21 THR 44 5.491 -23.642 5.693 357 HG23 THR 44 HG22 THR 44 6.775 -22.897 4.756 358 H LEU 45 H LEU 45 2.304 -20.449 7.631 359 HA LEU 45 HA LEU 45 2.080 -22.854 9.058 360 HB2 LEU 45 HB2 LEU 45 -0.435 -21.689 9.461 361 HB3 LEU 45 HB3 LEU 45 1.013 -21.566 10.412 362 HG LEU 45 HG LEU 45 1.585 -19.461 9.453 363 HD11 LEU 45 HD11 LEU 45 -1.073 -19.542 7.920 364 HD12 LEU 45 HD12 LEU 45 0.086 -18.195 7.974 365 HD13 LEU 45 HD13 LEU 45 0.507 -19.673 7.137 366 HD21 LEU 45 HD23 LEU 45 -1.243 -19.652 10.462 367 HD22 LEU 45 HD21 LEU 45 0.261 -19.538 11.408 368 HD23 LEU 45 HD22 LEU 45 -0.221 -18.170 10.404 369 H LEU 46 H LEU 46 1.436 -23.274 5.965 370 HA LEU 46 HA LEU 46 -0.320 -25.473 6.250 371 HB2 LEU 46 HB2 LEU 46 -2.282 -24.473 4.924 372 HB3 LEU 46 HB3 LEU 46 -2.184 -24.220 6.619 373 HG LEU 46 HG LEU 46 -2.798 -22.327 4.815 374 HD11 LEU 46 HD11 LEU 46 -1.658 -21.801 7.515 375 HD12 LEU 46 HD12 LEU 46 -2.626 -20.691 6.522 376 HD13 LEU 46 HD13 LEU 46 -3.331 -22.197 7.115 377 HD21 LEU 46 HD23 LEU 46 -0.086 -21.320 5.594 378 HD22 LEU 46 HD21 LEU 46 -0.349 -22.134 4.046 379 HD23 LEU 46 HD22 LEU 46 -1.271 -20.674 4.444 380 H VAL 47 H VAL 47 -1.151 -26.332 4.120 381 HA VAL 47 HA VAL 47 0.445 -25.662 1.722 382 HB VAL 47 HB VAL 47 0.140 -28.522 2.737 383 HG11 VAL 47 HG11 VAL 47 1.843 -27.251 0.557 384 HG12 VAL 47 HG12 VAL 47 1.900 -28.951 1.049 385 HG13 VAL 47 HG13 VAL 47 0.432 -28.292 0.313 386 HG21 VAL 47 HG23 VAL 47 2.574 -26.724 2.968 387 HG22 VAL 47 HG21 VAL 47 1.599 -27.402 4.291 388 HG23 VAL 47 HG22 VAL 47 2.534 -28.483 3.262 389 H GLN 48 H GLN 48 -0.857 -25.663 -0.067 390 HA GLN 48 HA GLN 48 -3.581 -26.069 -0.105 391 HB2 GLN 48 HB2 GLN 48 -1.538 -26.172 -2.348 392 HB3 GLN 48 HB3 GLN 48 -3.269 -26.362 -2.649 393 HG2 GLN 48 HG2 GLN 48 -3.740 -24.210 -1.570 394 HG3 GLN 48 HG3 GLN 48 -2.032 -23.975 -1.250 395 HE21 GLN 48 HE22 GLN 48 -4.544 -23.218 -3.465 396 HE22 GLN 48 HE21 GLN 48 -3.429 -22.730 -4.771 397 H ASN 49 H ASN 49 -1.161 -28.409 -1.223 398 HA ASN 49 HA ASN 49 -2.797 -30.494 -1.998 399 HB2 ASN 49 HB2 ASN 49 -0.848 -31.744 -2.184 400 HB3 ASN 49 HB3 ASN 49 -0.321 -30.107 -2.482 401 HD21 ASN 49 HD22 ASN 49 1.774 -31.303 -2.092 402 HD22 ASN 49 HD21 ASN 49 2.341 -31.345 -0.422 403 H ALA 50 H ALA 50 -2.283 -29.633 1.311 404 HA ALA 50 HA ALA 50 -2.348 -32.196 2.425 405 HB1 ALA 50 HB3 ALA 50 -1.639 -30.501 3.838 406 HB2 ALA 50 HB1 ALA 50 -3.031 -29.468 3.541 407 HB3 ALA 50 HB2 ALA 50 -3.227 -30.941 4.493 408 H ASN 51 H ASN 51 -3.964 -33.215 3.739 409 HA ASN 51 HA ASN 51 -6.361 -33.710 2.063 410 HB2 ASN 51 HB2 ASN 51 -5.882 -36.026 2.481 411 HB3 ASN 51 HB3 ASN 51 -4.327 -35.318 2.222 412 HD21 ASN 51 HD22 ASN 51 -4.925 -37.784 3.806 413 HD22 ASN 51 HD21 ASN 51 -4.271 -37.359 5.386 414 HA PRO 52 HA PRO 52 -9.103 -32.975 5.386 415 HB2 PRO 52 HB2 PRO 52 -10.532 -35.216 6.115 416 HB3 PRO 52 HB3 PRO 52 -10.783 -34.288 4.607 417 HG2 PRO 52 HG2 PRO 52 -9.164 -36.809 4.994 418 HG3 PRO 52 HG3 PRO 52 -10.346 -36.440 3.698 419 HD2 PRO 52 HD2 PRO 52 -7.693 -36.199 3.349 420 HD3 PRO 52 HD3 PRO 52 -8.808 -35.022 2.587 421 H ASP 53 H ASP 53 -7.022 -35.720 6.102 422 HA ASP 53 HA ASP 53 -7.179 -35.780 8.937 423 HB2 ASP 53 HB2 ASP 53 -6.227 -37.476 7.275 424 HB3 ASP 53 HB3 ASP 53 -4.778 -36.481 7.210 425 H CYS 54 H CYS 54 -4.316 -34.484 7.112 426 HA CYS 54 HA CYS 54 -3.240 -32.828 9.041 427 HB2 CYS 54 HB2 CYS 54 -2.178 -33.128 6.850 428 HB3 CYS 54 HB3 CYS 54 -3.561 -32.361 6.054 429 HG CYS 54 HG CYS 54 -1.160 -31.073 7.975 430 H LYS 55 H LYS 55 -5.908 -31.934 6.906 431 HA LYS 55 HA LYS 55 -6.217 -29.197 7.812 432 HB2 LYS 55 HB2 LYS 55 -7.890 -31.246 6.399 433 HB3 LYS 55 HB3 LYS 55 -8.712 -29.905 7.139 434 HG2 LYS 55 HG2 LYS 55 -8.346 -29.324 4.849 435 HG3 LYS 55 HG3 LYS 55 -7.412 -28.265 5.897 436 HD2 LYS 55 HD2 LYS 55 -5.314 -29.411 5.219 437 HD3 LYS 55 HD3 LYS 55 -6.230 -30.516 4.190 438 HE2 LYS 55 HE2 LYS 55 -7.222 -28.543 2.993 439 HE3 LYS 55 HE3 LYS 55 -6.181 -27.466 3.932 440 HZ1 LYS 55 HZ3 LYS 55 -4.261 -28.436 2.827 441 HZ2 LYS 55 HZ1 LYS 55 -5.185 -29.572 2.080 442 HZ3 LYS 55 HZ2 LYS 55 -5.313 -28.025 1.660 443 H THR 56 H THR 56 -8.094 -32.139 8.840 444 HA THR 56 HA THR 56 -9.511 -30.695 10.859 445 HB THR 56 HB THR 56 -10.167 -32.874 9.672 446 HG1 THR 56 HG1 THR 56 -11.035 -33.501 11.923 447 HG21 THR 56 HG23 THR 56 -8.255 -34.307 10.432 448 HG22 THR 56 HG21 THR 56 -8.828 -34.144 12.101 449 HG23 THR 56 HG22 THR 56 -9.836 -34.944 10.872 450 H ILE 57 H ILE 57 -6.377 -32.088 10.854 451 HA ILE 57 HA ILE 57 -6.204 -32.305 13.811 452 HB ILE 57 HB ILE 57 -4.185 -32.654 11.582 453 HG12 ILE 57 HG12 ILE 57 -5.149 -34.667 13.664 454 HG13 ILE 57 HG13 ILE 57 -6.035 -34.391 12.165 455 HG21 ILE 57 HG21 ILE 57 -3.683 -32.865 14.592 456 HG22 ILE 57 HG22 ILE 57 -2.574 -33.462 13.349 457 HG23 ILE 57 HG23 ILE 57 -2.881 -31.741 13.471 458 HD11 ILE 57 HD13 ILE 57 -3.991 -34.872 10.857 459 HD12 ILE 57 HD11 ILE 57 -3.158 -35.344 12.355 460 HD13 ILE 57 HD12 ILE 57 -4.583 -36.250 11.816 461 H LEU 58 H LEU 58 -4.314 -30.279 11.447 462 HA LEU 58 HA LEU 58 -3.391 -28.624 13.578 463 HB2 LEU 58 HB2 LEU 58 -3.424 -28.139 10.575 464 HB3 LEU 58 HB3 LEU 58 -2.575 -27.173 11.793 465 HG LEU 58 HG LEU 58 -1.668 -29.610 12.550 466 HD11 LEU 58 HD11 LEU 58 -2.240 -29.918 9.635 467 HD12 LEU 58 HD12 LEU 58 -1.046 -30.932 10.510 468 HD13 LEU 58 HD13 LEU 58 -2.762 -30.961 10.970 469 HD21 LEU 58 HD23 LEU 58 -0.774 -27.536 10.648 470 HD22 LEU 58 HD21 LEU 58 0.048 -28.205 12.061 471 HD23 LEU 58 HD22 LEU 58 0.101 -29.035 10.484 472 H LYS 59 H LYS 59 -6.274 -28.532 11.781 473 HA LYS 59 HA LYS 59 -7.417 -26.027 12.261 474 HB2 LYS 59 HB2 LYS 59 -8.473 -28.797 12.539 475 HB3 LYS 59 HB3 LYS 59 -9.451 -27.526 13.214 476 HG2 LYS 59 HG2 LYS 59 -8.446 -27.196 10.393 477 HG3 LYS 59 HG3 LYS 59 -9.697 -28.384 10.710 478 HD2 LYS 59 HD2 LYS 59 -9.766 -25.399 10.947 479 HD3 LYS 59 HD3 LYS 59 -10.781 -26.428 9.956 480 HE2 LYS 59 HE2 LYS 59 -11.887 -27.280 12.090 481 HE3 LYS 59 HE3 LYS 59 -10.916 -26.096 12.980 482 HZ1 LYS 59 HZ3 LYS 59 -11.915 -24.375 11.491 483 HZ2 LYS 59 HZ1 LYS 59 -13.052 -25.466 11.027 484 HZ3 LYS 59 HZ2 LYS 59 -12.884 -24.953 12.610 485 H ALA 60 H ALA 60 -6.708 -28.432 14.722 486 HA ALA 60 HA ALA 60 -7.337 -26.450 16.894 487 HB1 ALA 60 HB3 ALA 60 -8.636 -28.545 16.979 488 HB2 ALA 60 HB1 ALA 60 -7.126 -29.487 17.005 489 HB3 ALA 60 HB2 ALA 60 -7.528 -28.412 18.362 490 H LEU 61 H LEU 61 -4.743 -28.082 15.305 491 HA LEU 61 HA LEU 61 -2.929 -27.651 17.584 492 HB2 LEU 61 HB2 LEU 61 -3.536 -29.951 16.082 493 HB3 LEU 61 HB3 LEU 61 -1.947 -29.515 15.567 494 HG LEU 61 HG LEU 61 -2.943 -30.013 18.406 495 HD11 LEU 61 HD11 LEU 61 -0.877 -31.493 16.727 496 HD12 LEU 61 HD12 LEU 61 -1.424 -31.938 18.362 497 HD13 LEU 61 HD13 LEU 61 -2.553 -32.007 17.004 498 HD21 LEU 61 HD23 LEU 61 -0.144 -29.109 17.627 499 HD22 LEU 61 HD21 LEU 61 -1.271 -28.324 18.751 500 HD23 LEU 61 HD22 LEU 61 -0.559 -29.875 19.164 501 H GLY 62 H GLY 62 -3.356 -25.406 16.316 502 HA2 GLY 62 HA2 GLY 62 -0.861 -24.837 14.759 503 HA3 GLY 62 HA3 GLY 62 -2.278 -23.797 14.849 504 HA PRO 63 HA PRO 63 -0.293 -23.033 19.086 505 HB2 PRO 63 HB2 PRO 63 1.629 -24.568 20.251 506 HB3 PRO 63 HB3 PRO 63 -0.026 -25.207 20.042 507 HG2 PRO 63 HG2 PRO 63 2.338 -25.590 18.150 508 HG3 PRO 63 HG3 PRO 63 1.340 -26.866 18.926 509 HD2 PRO 63 HD2 PRO 63 0.735 -25.959 16.431 510 HD3 PRO 63 HD3 PRO 63 -0.529 -26.343 17.638 511 H ALA 64 H ALA 64 0.905 -22.385 16.481 512 HA ALA 64 HA ALA 64 2.696 -21.382 15.448 513 HB1 ALA 64 HB3 ALA 64 1.673 -19.598 16.812 514 HB2 ALA 64 HB1 ALA 64 2.839 -19.945 18.120 515 HB3 ALA 64 HB2 ALA 64 3.409 -19.339 16.557 516 H ALA 65 H ALA 65 3.528 -23.885 16.570 517 HA ALA 65 HA ALA 65 6.394 -23.491 16.147 518 HB1 ALA 65 HB3 ALA 65 6.262 -23.430 18.609 519 HB2 ALA 65 HB1 ALA 65 5.331 -24.940 18.636 520 HB3 ALA 65 HB2 ALA 65 7.026 -24.935 18.075 521 H THR 66 H THR 66 5.566 -26.574 17.346 522 HA THR 66 HA THR 66 6.360 -28.179 15.452 523 HB THR 66 HB THR 66 3.744 -28.772 16.864 524 HG1 THR 66 HG1 THR 66 6.196 -29.357 17.974 525 HG21 THR 66 HG23 THR 66 4.455 -30.660 15.475 526 HG22 THR 66 HG21 THR 66 6.104 -30.562 16.108 527 HG23 THR 66 HG22 THR 66 4.757 -31.045 17.166 528 H LEU 67 H LEU 67 3.414 -26.444 14.830 529 HA LEU 67 HA LEU 67 2.155 -27.933 12.773 530 HB2 LEU 67 HB2 LEU 67 1.506 -25.845 13.876 531 HB3 LEU 67 HB3 LEU 67 2.745 -24.975 13.000 532 HG LEU 67 HG LEU 67 0.036 -25.959 12.003 533 HD11 LEU 67 HD11 LEU 67 1.722 -23.481 11.586 534 HD12 LEU 67 HD12 LEU 67 0.021 -23.718 11.093 535 HD13 LEU 67 HD13 LEU 67 0.442 -23.653 12.817 536 HD21 LEU 67 HD23 LEU 67 2.401 -25.485 10.191 537 HD22 LEU 67 HD21 LEU 67 1.472 -26.999 10.418 538 HD23 LEU 67 HD22 LEU 67 0.711 -25.578 9.704 539 H GLU 68 H GLU 68 4.992 -25.734 12.611 540 HA GLU 68 HA GLU 68 5.614 -25.763 9.951 541 HB2 GLU 68 HB2 GLU 68 7.579 -26.163 12.275 542 HB3 GLU 68 HB3 GLU 68 8.038 -25.668 10.623 543 HG2 GLU 68 HG2 GLU 68 6.452 -23.740 10.860 544 HG3 GLU 68 HG3 GLU 68 6.186 -24.270 12.522 545 H GLU 69 H GLU 69 5.968 -28.550 11.973 546 HA GLU 69 HA GLU 69 7.014 -30.164 9.653 547 HB2 GLU 69 HB2 GLU 69 6.985 -32.125 10.988 548 HB3 GLU 69 HB3 GLU 69 7.923 -30.850 11.745 549 HG2 GLU 69 HG2 GLU 69 6.459 -30.592 13.518 550 HG3 GLU 69 HG3 GLU 69 5.095 -31.378 12.713 551 H MET 70 H MET 70 4.057 -29.990 11.612 552 HA MET 70 HA MET 70 2.549 -32.098 10.360 553 HB2 MET 70 HB2 MET 70 1.530 -29.715 11.801 554 HB3 MET 70 HB3 MET 70 0.744 -31.308 11.666 555 HG2 MET 70 HG2 MET 70 2.960 -32.019 12.912 556 HG3 MET 70 HG3 MET 70 3.006 -30.252 13.219 557 HE1 MET 70 HE3 MET 70 1.883 -29.108 15.159 558 HE2 MET 70 HE1 MET 70 0.552 -29.097 13.973 559 HE3 MET 70 HE2 MET 70 0.237 -29.535 15.648 560 H MET 71 H MET 71 3.080 -28.917 9.446 561 HA MET 71 HA MET 71 1.313 -27.936 7.618 562 HB2 MET 71 HB2 MET 71 3.291 -26.830 8.267 563 HB3 MET 71 HB3 MET 71 4.339 -28.149 7.797 564 HG2 MET 71 HG2 MET 71 2.820 -26.583 5.729 565 HG3 MET 71 HG3 MET 71 4.276 -25.942 6.447 566 HE1 MET 71 HE3 MET 71 6.680 -26.810 6.171 567 HE2 MET 71 HE1 MET 71 6.312 -28.466 6.711 568 HE3 MET 71 HE2 MET 71 7.144 -28.198 5.170 569 H THR 72 H THR 72 3.796 -30.327 6.858 570 HA THR 72 HA THR 72 2.038 -31.530 4.747 571 HB THR 72 HB THR 72 5.012 -31.851 5.088 572 HG1 THR 72 HG1 THR 72 4.596 -29.739 4.290 573 HG21 THR 72 HG23 THR 72 4.144 -33.721 3.802 574 HG22 THR 72 HG21 THR 72 3.181 -32.630 2.775 575 HG23 THR 72 HG22 THR 72 4.956 -32.635 2.675 576 H ALA 73 H ALA 73 3.951 -32.216 7.713 577 HA ALA 73 HA ALA 73 4.198 -34.991 7.321 578 HB1 ALA 73 HB3 ALA 73 5.553 -33.686 8.916 579 HB2 ALA 73 HB1 ALA 73 4.136 -33.502 9.975 580 HB3 ALA 73 HB2 ALA 73 4.809 -35.103 9.671 581 H CYS 74 H CYS 74 1.292 -33.345 7.984 582 HA CYS 74 HA CYS 74 0.027 -35.864 9.045 583 HB2 CYS 74 HB2 CYS 74 -0.979 -33.001 9.161 584 HB3 CYS 74 HB3 CYS 74 -1.864 -34.452 9.698 585 HG CYS 74 HG CYS 74 -1.076 -33.640 11.903 586 H GLN 75 H GLN 75 0.622 -34.638 6.010 587 HA GLN 75 HA GLN 75 -1.977 -35.752 5.071 588 HB2 GLN 75 HB2 GLN 75 -2.003 -34.271 3.361 589 HB3 GLN 75 HB3 GLN 75 -1.362 -33.287 4.661 590 HG2 GLN 75 HG2 GLN 75 0.004 -32.623 2.992 591 HG3 GLN 75 HG3 GLN 75 0.974 -33.931 3.647 592 HE21 GLN 75 HE22 GLN 75 0.770 -32.722 0.851 593 HE22 GLN 75 HE21 GLN 75 0.480 -34.162 -0.137 594 H GLY 76 H GLY 76 1.561 -35.800 4.549 595 HA2 GLY 76 HA2 GLY 76 1.536 -38.092 2.782 596 HA3 GLY 76 HA3 GLY 76 2.918 -37.474 3.700 597 H VAL 77 H VAL 77 0.749 -37.880 6.042 598 HA VAL 77 HA VAL 77 1.705 -40.361 7.125 599 HB VAL 77 HB VAL 77 0.887 -38.316 8.353 600 HG11 VAL 77 HG11 VAL 77 -1.913 -39.393 7.866 601 HG12 VAL 77 HG12 VAL 77 -1.447 -37.966 8.786 602 HG13 VAL 77 HG13 VAL 77 -1.236 -37.982 7.029 603 HG21 VAL 77 HG23 VAL 77 -0.466 -40.875 9.248 604 HG22 VAL 77 HG21 VAL 77 1.241 -40.453 9.525 605 HG23 VAL 77 HG22 VAL 77 -0.050 -39.469 10.240 606 H GLY 78 H GLY 78 -0.762 -39.760 4.743 607 HA2 GLY 78 HA2 GLY 78 -1.684 -42.536 4.831 608 HA3 GLY 78 HA3 GLY 78 -2.873 -41.352 5.384 609 H GLY 79 H GLY 79 -3.932 -42.536 3.465 610 HA2 GLY 79 HA2 GLY 79 -3.067 -41.790 0.791 611 HA3 GLY 79 HA3 GLY 79 -4.538 -42.665 1.211 612 HA PRO 80 HA PRO 80 -5.521 -38.086 0.351 613 HB2 PRO 80 HB2 PRO 80 -5.680 -37.797 -2.342 614 HB3 PRO 80 HB3 PRO 80 -4.109 -37.769 -1.485 615 HG2 PRO 80 HG2 PRO 80 -5.414 -40.136 -2.884 616 HG3 PRO 80 HG3 PRO 80 -3.747 -39.511 -3.103 617 HD2 PRO 80 HD2 PRO 80 -4.306 -41.582 -1.408 618 HD3 PRO 80 HD3 PRO 80 -3.046 -40.369 -1.028 619 H GLY 81 H GLY 81 -6.900 -41.096 -0.708 620 HA2 GLY 81 HA2 GLY 81 -9.138 -41.761 -0.941 621 HA3 GLY 81 HA3 GLY 81 -9.653 -40.124 -0.534 622 H HIS 82 H HIS 82 -10.438 -38.914 -2.154 623 HA HIS 82 HA HIS 82 -9.571 -39.166 -4.915 624 HB2 HIS 82 HB2 HIS 82 -11.694 -39.756 -5.882 625 HB3 HIS 82 HB3 HIS 82 -11.198 -41.015 -4.776 626 HD2 HIS 82 HD2 HIS 82 -12.673 -38.547 -2.482 627 HE1 HIS 82 HE1 HIS 82 -16.019 -40.794 -3.864 628 HE2 HIS 82 HE2 HIS 82 -15.196 -39.149 -2.093 629 H LYS 83 H LYS 83 -10.879 -37.558 -6.328 630 HA LYS 83 HA LYS 83 -12.199 -35.377 -4.836 631 HB2 LYS 83 HB2 LYS 83 -9.819 -34.847 -4.672 632 HB3 LYS 83 HB3 LYS 83 -9.616 -35.083 -6.414 633 HG2 LYS 83 HG2 LYS 83 -11.124 -33.158 -6.854 634 HG3 LYS 83 HG3 LYS 83 -11.367 -32.936 -5.118 635 HD2 LYS 83 HD2 LYS 83 -8.614 -32.856 -6.437 636 HD3 LYS 83 HD3 LYS 83 -9.642 -31.429 -6.391 637 HE2 LYS 83 HE2 LYS 83 -8.796 -32.962 -3.891 638 HE3 LYS 83 HE3 LYS 83 -7.895 -31.595 -4.560 639 HZ1 LYS 83 HZ3 LYS 83 -10.006 -30.300 -4.394 640 HZ2 LYS 83 HZ1 LYS 83 -10.665 -31.521 -3.525 641 HZ3 LYS 83 HZ2 LYS 83 -9.357 -30.705 -2.944 642 H ALA 84 H ALA 84 -14.056 -35.199 -5.945 643 HA ALA 84 HA ALA 84 -14.340 -35.523 -8.805 644 HB1 ALA 84 HB3 ALA 84 -16.238 -35.733 -7.231 645 HB2 ALA 84 HB1 ALA 84 -16.050 -34.027 -6.758 646 HB3 ALA 84 HB2 ALA 84 -16.538 -34.447 -8.412 647 H ARG 85 H ARG 85 -14.134 -34.039 -10.427 648 HA ARG 85 HA ARG 85 -14.062 -31.191 -10.097 649 HB2 ARG 85 HB2 ARG 85 -11.759 -30.798 -10.905 650 HB3 ARG 85 HB3 ARG 85 -11.813 -31.543 -9.331 651 HG2 ARG 85 HG2 ARG 85 -10.022 -32.598 -10.375 652 HG3 ARG 85 HG3 ARG 85 -11.311 -33.804 -10.498 653 HD2 ARG 85 HD2 ARG 85 -11.761 -33.102 -12.795 654 HD3 ARG 85 HD3 ARG 85 -10.578 -31.783 -12.656 655 HE ARG 85 HE ARG 85 -9.601 -34.566 -12.375 656 HH11 ARG 85 HH11 ARG 85 -10.293 -31.986 -14.628 657 HH12 ARG 85 HH12 ARG 85 -9.627 -32.790 -15.923 658 HH21 ARG 85 HH21 ARG 85 -8.909 -35.614 -14.263 659 HH22 ARG 85 HH22 ARG 85 -9.241 -34.771 -15.731 660 H VAL 86 H VAL 86 -13.733 -30.145 -12.360 661 HA VAL 86 HA VAL 86 -15.309 -31.559 -14.327 662 HB VAL 86 HB VAL 86 -15.303 -29.122 -14.130 663 HG11 VAL 86 HG11 VAL 86 -12.521 -29.140 -15.365 664 HG12 VAL 86 HG12 VAL 86 -13.527 -27.722 -15.027 665 HG13 VAL 86 HG13 VAL 86 -12.894 -28.691 -13.688 666 HG21 VAL 86 HG23 VAL 86 -14.347 -30.016 -16.875 667 HG22 VAL 86 HG21 VAL 86 -16.000 -30.214 -16.240 668 HG23 VAL 86 HG22 VAL 86 -15.331 -28.594 -16.491 669 H LEU 87 H LEU 87 -14.737 -32.596 -16.141 670 HA LEU 87 HA LEU 87 -13.120 -34.610 -16.164 671 HB2 LEU 87 HB2 LEU 87 -14.877 -34.038 -17.795 672 HB3 LEU 87 HB3 LEU 87 -13.741 -33.019 -18.677 673 HG LEU 87 HG LEU 87 -13.045 -35.931 -18.202 674 HD11 LEU 87 HD11 LEU 87 -14.940 -34.903 -20.351 675 HD12 LEU 87 HD12 LEU 87 -14.260 -36.543 -20.254 676 HD13 LEU 87 HD13 LEU 87 -15.364 -35.977 -18.995 677 HD21 LEU 87 HD23 LEU 87 -12.604 -34.037 -20.565 678 HD22 LEU 87 HD21 LEU 87 -11.382 -34.479 -19.362 679 HD23 LEU 87 HD22 LEU 87 -12.018 -35.714 -20.446 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -6.521 0.768 -5.421 2 H2 MET 1 H2 MET 1 -7.809 -0.224 -5.586 3 H3 MET 1 H3 MET 1 -7.281 0.659 -6.887 4 HA MET 1 HA MET 1 -6.613 -1.714 -6.996 5 HB2 MET 1 HB2 MET 1 -4.424 0.404 -6.773 6 HB3 MET 1 HB3 MET 1 -4.121 -1.258 -7.286 7 HG2 MET 1 HG2 MET 1 -4.320 0.190 -9.215 8 HG3 MET 1 HG3 MET 1 -5.609 -1.011 -9.201 9 HE1 MET 1 HE3 MET 1 -5.436 1.675 -11.039 10 HE2 MET 1 HE1 MET 1 -6.716 0.447 -11.180 11 HE3 MET 1 HE2 MET 1 -7.143 2.164 -11.006 12 H SER 2 H SER 2 -5.551 -3.467 -5.928 13 HA SER 2 HA SER 2 -4.887 -2.954 -3.053 14 HB2 SER 2 HB2 SER 2 -6.721 -5.156 -4.030 15 HB3 SER 2 HB3 SER 2 -6.393 -4.641 -2.366 16 HG SER 2 HG SER 2 -8.311 -3.746 -2.978 17 HA PRO 3 HA PRO 3 -1.849 -5.880 -5.006 18 HB2 PRO 3 HB2 PRO 3 0.477 -4.538 -4.676 19 HB3 PRO 3 HB3 PRO 3 -0.752 -3.951 -5.828 20 HG2 PRO 3 HG2 PRO 3 -0.350 -3.053 -2.944 21 HG3 PRO 3 HG3 PRO 3 -0.398 -2.026 -4.415 22 HD2 PRO 3 HD2 PRO 3 -2.613 -2.482 -2.861 23 HD3 PRO 3 HD3 PRO 3 -2.718 -2.280 -4.635 24 H THR 4 H THR 4 -2.913 -5.915 -2.112 25 HA THR 4 HA THR 4 -0.785 -5.895 -0.256 26 HB THR 4 HB THR 4 -2.481 -7.115 1.240 27 HG1 THR 4 HG1 THR 4 -4.559 -7.023 0.457 28 HG21 THR 4 HG23 THR 4 -2.136 -4.654 1.224 29 HG22 THR 4 HG21 THR 4 -3.328 -4.502 -0.085 30 HG23 THR 4 HG22 THR 4 -3.814 -5.101 1.524 31 H SER 5 H SER 5 -0.014 -7.445 1.103 32 HA SER 5 HA SER 5 1.089 -9.665 -0.402 33 HB2 SER 5 HB2 SER 5 2.143 -8.576 2.219 34 HB3 SER 5 HB3 SER 5 3.008 -9.414 0.926 35 HG SER 5 HG SER 5 1.945 -6.784 1.022 36 H ILE 6 H ILE 6 1.164 -9.808 3.089 37 HA ILE 6 HA ILE 6 -0.466 -12.200 3.372 38 HB ILE 6 HB ILE 6 1.045 -13.573 2.501 39 HG12 ILE 6 HG12 ILE 6 2.608 -14.562 4.062 40 HG13 ILE 6 HG13 ILE 6 2.515 -13.204 5.144 41 HG21 ILE 6 HG21 ILE 6 3.412 -11.794 3.145 42 HG22 ILE 6 HG22 ILE 6 3.438 -13.311 2.246 43 HG23 ILE 6 HG23 ILE 6 2.613 -11.928 1.566 44 HD11 ILE 6 HD13 ILE 6 0.227 -13.702 5.780 45 HD12 ILE 6 HD11 ILE 6 0.045 -14.815 4.422 46 HD13 ILE 6 HD12 ILE 6 1.102 -15.229 5.794 47 H LEU 7 H LEU 7 2.497 -10.773 4.850 48 HA LEU 7 HA LEU 7 1.367 -10.401 7.481 49 HB2 LEU 7 HB2 LEU 7 3.411 -8.897 7.701 50 HB3 LEU 7 HB3 LEU 7 3.700 -10.571 7.269 51 HG LEU 7 HG LEU 7 4.164 -9.980 4.941 52 HD11 LEU 7 HD11 LEU 7 3.735 -7.083 5.774 53 HD12 LEU 7 HD12 LEU 7 4.492 -7.624 4.258 54 HD13 LEU 7 HD13 LEU 7 2.798 -7.990 4.571 55 HD21 LEU 7 HD23 LEU 7 5.711 -8.274 6.929 56 HD22 LEU 7 HD21 LEU 7 5.980 -10.004 6.572 57 HD23 LEU 7 HD22 LEU 7 6.273 -8.797 5.322 58 H ASP 8 H ASP 8 -0.385 -9.574 5.520 59 HA ASP 8 HA ASP 8 -0.817 -6.619 5.674 60 HB2 ASP 8 HB2 ASP 8 0.638 -7.894 3.680 61 HB3 ASP 8 HB3 ASP 8 -0.968 -8.060 3.035 62 H ILE 9 H ILE 9 -2.107 -9.785 5.842 63 HA ILE 9 HA ILE 9 -4.867 -8.977 5.098 64 HB ILE 9 HB ILE 9 -5.260 -10.900 3.897 65 HG12 ILE 9 HG12 ILE 9 -2.406 -11.848 4.242 66 HG13 ILE 9 HG13 ILE 9 -3.749 -12.461 5.193 67 HG21 ILE 9 HG21 ILE 9 -2.652 -9.869 2.755 68 HG22 ILE 9 HG22 ILE 9 -4.044 -10.519 1.872 69 HG23 ILE 9 HG23 ILE 9 -4.179 -8.963 2.702 70 HD11 ILE 9 HD13 ILE 9 -4.907 -13.110 3.074 71 HD12 ILE 9 HD11 ILE 9 -3.442 -12.646 2.171 72 HD13 ILE 9 HD12 ILE 9 -3.364 -13.969 3.330 73 H ARG 10 H ARG 10 -6.332 -11.061 5.704 74 HA ARG 10 HA ARG 10 -6.263 -11.463 8.521 75 HB2 ARG 10 HB2 ARG 10 -7.874 -13.274 8.167 76 HB3 ARG 10 HB3 ARG 10 -8.285 -11.835 7.240 77 HG2 ARG 10 HG2 ARG 10 -8.737 -13.468 5.690 78 HG3 ARG 10 HG3 ARG 10 -7.097 -13.064 5.239 79 HD2 ARG 10 HD2 ARG 10 -6.592 -15.238 5.377 80 HD3 ARG 10 HD3 ARG 10 -6.755 -15.147 7.116 81 HE ARG 10 HE ARG 10 -8.759 -16.168 5.196 82 HH11 ARG 10 HH11 ARG 10 -7.977 -15.653 8.634 83 HH12 ARG 10 HH12 ARG 10 -9.316 -16.628 9.130 84 HH21 ARG 10 HH21 ARG 10 -10.376 -17.453 5.966 85 HH22 ARG 10 HH22 ARG 10 -10.641 -17.596 7.676 86 H GLN 11 H GLN 11 -5.131 -12.748 9.829 87 HA GLN 11 HA GLN 11 -3.397 -14.902 8.891 88 HB2 GLN 11 HB2 GLN 11 -2.878 -13.492 10.837 89 HB3 GLN 11 HB3 GLN 11 -4.327 -14.033 11.672 90 HG2 GLN 11 HG2 GLN 11 -2.339 -16.143 10.801 91 HG3 GLN 11 HG3 GLN 11 -1.854 -15.034 12.072 92 HE21 GLN 11 HE22 GLN 11 -1.891 -16.350 13.893 93 HE22 GLN 11 HE21 GLN 11 -3.375 -17.122 14.441 94 H GLY 12 H GLY 12 -3.887 -17.070 9.425 95 HA2 GLY 12 HA2 GLY 12 -5.591 -18.432 10.802 96 HA3 GLY 12 HA3 GLY 12 -6.780 -17.852 9.617 97 HA PRO 13 HA PRO 13 -3.981 -20.898 7.197 98 HB2 PRO 13 HB2 PRO 13 -1.840 -22.086 8.349 99 HB3 PRO 13 HB3 PRO 13 -1.857 -20.368 7.829 100 HG2 PRO 13 HG2 PRO 13 -2.429 -21.409 10.644 101 HG3 PRO 13 HG3 PRO 13 -1.162 -20.222 10.171 102 HD2 PRO 13 HD2 PRO 13 -3.601 -19.463 11.033 103 HD3 PRO 13 HD3 PRO 13 -2.769 -18.586 9.716 104 H LYS 14 H LYS 14 -4.985 -21.705 10.402 105 HA LYS 14 HA LYS 14 -4.478 -24.418 10.619 106 HB2 LYS 14 HB2 LYS 14 -6.286 -24.534 12.243 107 HB3 LYS 14 HB3 LYS 14 -5.256 -23.127 12.499 108 HG2 LYS 14 HG2 LYS 14 -6.932 -21.611 11.968 109 HG3 LYS 14 HG3 LYS 14 -7.750 -22.716 10.858 110 HD2 LYS 14 HD2 LYS 14 -8.549 -24.085 12.731 111 HD3 LYS 14 HD3 LYS 14 -7.772 -22.995 13.894 112 HE2 LYS 14 HE2 LYS 14 -9.272 -21.238 13.464 113 HE3 LYS 14 HE3 LYS 14 -9.675 -21.852 11.846 114 HZ1 LYS 14 HZ3 LYS 14 -10.931 -23.559 12.711 115 HZ2 LYS 14 HZ1 LYS 14 -10.499 -23.297 14.281 116 HZ3 LYS 14 HZ2 LYS 14 -11.481 -22.242 13.449 117 H GLU 15 H GLU 15 -6.787 -23.241 8.485 118 HA GLU 15 HA GLU 15 -7.866 -26.000 8.001 119 HB2 GLU 15 HB2 GLU 15 -9.497 -23.480 8.480 120 HB3 GLU 15 HB3 GLU 15 -10.139 -24.917 7.702 121 HG2 GLU 15 HG2 GLU 15 -9.580 -26.245 9.753 122 HG3 GLU 15 HG3 GLU 15 -9.027 -24.758 10.528 123 HA PRO 16 HA PRO 16 -8.757 -23.763 3.979 124 HB2 PRO 16 HB2 PRO 16 -8.199 -21.159 3.457 125 HB3 PRO 16 HB3 PRO 16 -9.445 -21.613 4.643 126 HG2 PRO 16 HG2 PRO 16 -6.531 -20.931 5.200 127 HG3 PRO 16 HG3 PRO 16 -7.993 -20.173 5.917 128 HD2 PRO 16 HD2 PRO 16 -6.621 -22.217 7.082 129 HD3 PRO 16 HD3 PRO 16 -8.396 -22.046 7.249 130 H PHE 17 H PHE 17 -6.356 -25.245 4.396 131 HA PHE 17 HA PHE 17 -3.959 -24.128 3.795 132 HB2 PHE 17 HB2 PHE 17 -4.890 -26.793 3.928 133 HB3 PHE 17 HB3 PHE 17 -3.999 -26.701 2.442 134 HD1 PHE 17 HD2 PHE 17 -3.386 -25.031 5.792 135 HD2 PHE 17 HD1 PHE 17 -1.978 -27.937 2.901 136 HE1 PHE 17 HE2 PHE 17 -1.171 -25.097 6.907 137 HE2 PHE 17 HE1 PHE 17 0.243 -27.942 4.024 138 HZ PHE 17 HZ PHE 17 0.658 -26.436 5.958 139 H ARG 18 H ARG 18 -5.928 -25.436 0.990 140 HA ARG 18 HA ARG 18 -3.972 -24.481 -0.902 141 HB2 ARG 18 HB2 ARG 18 -5.383 -25.265 -2.582 142 HB3 ARG 18 HB3 ARG 18 -5.425 -26.389 -1.234 143 HG2 ARG 18 HG2 ARG 18 -7.617 -26.350 -1.976 144 HG3 ARG 18 HG3 ARG 18 -7.606 -25.379 -0.511 145 HD2 ARG 18 HD2 ARG 18 -8.998 -24.292 -1.944 146 HD3 ARG 18 HD3 ARG 18 -7.619 -23.291 -2.020 147 HE ARG 18 HE ARG 18 -8.687 -24.818 -4.250 148 HH11 ARG 18 HH11 ARG 18 -5.902 -22.791 -3.202 149 HH12 ARG 18 HH12 ARG 18 -5.481 -22.478 -4.827 150 HH21 ARG 18 HH21 ARG 18 -7.897 -24.309 -6.350 151 HH22 ARG 18 HH22 ARG 18 -6.463 -23.293 -6.407 152 H ASP 19 H ASP 19 -6.820 -23.219 0.564 153 HA ASP 19 HA ASP 19 -7.510 -21.247 -1.477 154 HB2 ASP 19 HB2 ASP 19 -9.268 -22.164 -0.131 155 HB3 ASP 19 HB3 ASP 19 -8.449 -21.749 1.368 156 H TYR 20 H TYR 20 -6.109 -21.115 1.656 157 HA TYR 20 HA TYR 20 -5.278 -18.282 1.510 158 HB2 TYR 20 HB2 TYR 20 -5.694 -19.664 3.623 159 HB3 TYR 20 HB3 TYR 20 -4.112 -20.383 3.378 160 HD1 TYR 20 HD2 TYR 20 -2.382 -18.053 2.647 161 HD2 TYR 20 HD1 TYR 20 -5.591 -18.302 5.523 162 HE1 TYR 20 HE2 TYR 20 -1.595 -16.002 3.671 163 HE2 TYR 20 HE1 TYR 20 -4.649 -16.305 6.683 164 HH TYR 20 HH TYR 20 -3.269 -14.459 6.368 165 H VAL 21 H VAL 21 -3.496 -21.439 1.085 166 HA VAL 21 HA VAL 21 -1.034 -20.228 0.924 167 HB VAL 21 HB VAL 21 -1.362 -22.629 1.204 168 HG11 VAL 21 HG11 VAL 21 -1.369 -22.981 -1.766 169 HG12 VAL 21 HG12 VAL 21 -1.699 -24.164 -0.449 170 HG13 VAL 21 HG13 VAL 21 -2.827 -22.852 -0.830 171 HG21 VAL 21 HG23 VAL 21 0.645 -21.882 -0.891 172 HG22 VAL 21 HG21 VAL 21 0.845 -21.786 0.872 173 HG23 VAL 21 HG22 VAL 21 0.558 -23.334 0.108 174 H ASP 22 H ASP 22 -3.183 -20.601 -1.959 175 HA ASP 22 HA ASP 22 -1.270 -19.790 -3.857 176 HB2 ASP 22 HB2 ASP 22 -4.235 -19.604 -3.490 177 HB3 ASP 22 HB3 ASP 22 -3.492 -18.790 -4.823 178 H ARG 23 H ARG 23 -3.472 -17.611 -2.021 179 HA ARG 23 HA ARG 23 -2.330 -15.153 -2.637 180 HB2 ARG 23 HB2 ARG 23 -3.542 -15.991 0.057 181 HB3 ARG 23 HB3 ARG 23 -3.201 -14.332 -0.467 182 HG2 ARG 23 HG2 ARG 23 -5.257 -14.374 -1.355 183 HG3 ARG 23 HG3 ARG 23 -4.434 -15.325 -2.645 184 HD2 ARG 23 HD2 ARG 23 -6.041 -16.738 -2.383 185 HD3 ARG 23 HD3 ARG 23 -4.951 -17.322 -1.132 186 HE ARG 23 HE ARG 23 -6.395 -15.810 0.434 187 HH11 ARG 23 HH11 ARG 23 -7.573 -17.926 -2.047 188 HH12 ARG 23 HH12 ARG 23 -9.087 -18.187 -1.264 189 HH21 ARG 23 HH21 ARG 23 -8.293 -16.315 1.443 190 HH22 ARG 23 HH22 ARG 23 -9.221 -17.617 0.769 191 H PHE 24 H PHE 24 -1.326 -17.379 -0.213 192 HA PHE 24 HA PHE 24 0.673 -15.645 1.011 193 HB2 PHE 24 HB2 PHE 24 -0.218 -17.517 2.243 194 HB3 PHE 24 HB3 PHE 24 0.354 -18.664 1.026 195 HD1 PHE 24 HD1 PHE 24 1.339 -16.599 3.889 196 HD2 PHE 24 HD2 PHE 24 2.703 -19.152 0.756 197 HE1 PHE 24 HE1 PHE 24 3.683 -16.296 4.657 198 HE2 PHE 24 HE2 PHE 24 5.011 -18.871 1.481 199 HZ PHE 24 HZ PHE 24 5.558 -17.300 3.418 200 H TYR 25 H TYR 25 1.184 -18.494 -1.177 201 HA TYR 25 HA TYR 25 3.949 -17.878 -1.472 202 HB2 TYR 25 HB2 TYR 25 2.152 -20.004 -2.396 203 HB3 TYR 25 HB3 TYR 25 3.409 -19.610 -3.545 204 HD1 TYR 25 HD2 TYR 25 5.781 -19.915 -3.037 205 HD2 TYR 25 HD1 TYR 25 2.803 -21.042 -0.102 206 HE1 TYR 25 HE2 TYR 25 7.493 -21.227 -1.762 207 HE2 TYR 25 HE1 TYR 25 4.509 -22.292 1.108 208 HH TYR 25 HH TYR 25 6.658 -23.100 1.199 209 H LYS 26 H LYS 26 1.207 -16.767 -3.371 210 HA LYS 26 HA LYS 26 2.376 -15.568 -5.595 211 HB2 LYS 26 HB2 LYS 26 0.078 -15.470 -5.345 212 HB3 LYS 26 HB3 LYS 26 0.135 -14.853 -3.714 213 HG2 LYS 26 HG2 LYS 26 0.995 -13.120 -6.041 214 HG3 LYS 26 HG3 LYS 26 -0.704 -13.332 -5.648 215 HD2 LYS 26 HD2 LYS 26 1.307 -12.359 -3.602 216 HD3 LYS 26 HD3 LYS 26 0.412 -11.263 -4.656 217 HE2 LYS 26 HE2 LYS 26 -1.679 -11.844 -3.635 218 HE3 LYS 26 HE3 LYS 26 -0.979 -13.286 -2.885 219 HZ1 LYS 26 HZ3 LYS 26 0.479 -11.738 -1.588 220 HZ2 LYS 26 HZ1 LYS 26 -0.461 -10.470 -2.088 221 HZ3 LYS 26 HZ2 LYS 26 -1.066 -11.673 -1.162 222 H THR 27 H THR 27 2.809 -14.442 -2.245 223 HA THR 27 HA THR 27 4.583 -12.268 -3.253 224 HB THR 27 HB THR 27 4.091 -11.675 -0.574 225 HG1 THR 27 HG1 THR 27 2.342 -12.959 -0.330 226 HG21 THR 27 HG23 THR 27 2.675 -10.730 -3.093 227 HG22 THR 27 HG21 THR 27 2.812 -9.823 -1.565 228 HG23 THR 27 HG22 THR 27 4.251 -10.161 -2.506 229 H LEU 28 H LEU 28 4.444 -14.745 -0.643 230 HA LEU 28 HA LEU 28 6.953 -14.481 0.441 231 HB2 LEU 28 HB2 LEU 28 5.357 -16.124 1.080 232 HB3 LEU 28 HB3 LEU 28 5.599 -17.048 -0.384 233 HG LEU 28 HG LEU 28 6.775 -17.847 1.709 234 HD11 LEU 28 HD11 LEU 28 8.762 -17.534 -0.499 235 HD12 LEU 28 HD12 LEU 28 8.490 -18.873 0.627 236 HD13 LEU 28 HD13 LEU 28 7.319 -18.539 -0.658 237 HD21 LEU 28 HD23 LEU 28 8.899 -15.803 1.319 238 HD22 LEU 28 HD21 LEU 28 7.551 -15.588 2.446 239 HD23 LEU 28 HD22 LEU 28 8.627 -16.966 2.641 240 H ARG 29 H ARG 29 6.361 -16.010 -2.757 241 HA ARG 29 HA ARG 29 9.025 -16.707 -3.385 242 HB2 ARG 29 HB2 ARG 29 8.277 -16.789 -5.723 243 HB3 ARG 29 HB3 ARG 29 7.114 -17.502 -4.617 244 HG2 ARG 29 HG2 ARG 29 5.694 -16.280 -5.940 245 HG3 ARG 29 HG3 ARG 29 5.986 -15.141 -4.632 246 HD2 ARG 29 HD2 ARG 29 7.926 -14.291 -6.289 247 HD3 ARG 29 HD3 ARG 29 6.898 -15.055 -7.497 248 HE ARG 29 HE ARG 29 5.036 -13.631 -6.230 249 HH11 ARG 29 HH11 ARG 29 8.237 -12.427 -6.933 250 HH12 ARG 29 HH12 ARG 29 7.765 -10.769 -6.665 251 HH21 ARG 29 HH21 ARG 29 4.471 -11.636 -5.966 252 HH22 ARG 29 HH22 ARG 29 5.578 -10.298 -6.224 253 H ALA 30 H ALA 30 8.158 -13.557 -2.762 254 HA ALA 30 HA ALA 30 10.209 -12.318 -4.503 255 HB1 ALA 30 HB3 ALA 30 7.994 -11.162 -4.028 256 HB2 ALA 30 HB1 ALA 30 8.463 -11.098 -2.315 257 HB3 ALA 30 HB2 ALA 30 9.425 -10.232 -3.520 258 H GLU 31 H GLU 31 9.995 -13.789 -1.336 259 HA GLU 31 HA GLU 31 12.628 -12.597 -0.551 260 HB2 GLU 31 HB2 GLU 31 10.406 -13.784 1.165 261 HB3 GLU 31 HB3 GLU 31 12.019 -13.332 1.731 262 HG2 GLU 31 HG2 GLU 31 11.568 -10.976 0.960 263 HG3 GLU 31 HG3 GLU 31 9.916 -11.465 0.562 264 H GLN 32 H GLN 32 10.952 -15.678 0.361 265 HA GLN 32 HA GLN 32 13.472 -17.010 0.527 266 HB2 GLN 32 HB2 GLN 32 10.716 -18.278 0.318 267 HB3 GLN 32 HB3 GLN 32 12.171 -19.097 0.844 268 HG2 GLN 32 HG2 GLN 32 10.837 -16.793 2.320 269 HG3 GLN 32 HG3 GLN 32 10.715 -18.474 2.751 270 HE21 GLN 32 HE22 GLN 32 12.860 -19.576 3.667 271 HE22 GLN 32 HE21 GLN 32 14.126 -18.444 4.114 272 H ALA 33 H ALA 33 11.634 -16.442 -2.247 273 HA ALA 33 HA ALA 33 11.368 -17.481 -4.314 274 HB1 ALA 33 HB3 ALA 33 13.055 -15.695 -4.300 275 HB2 ALA 33 HB1 ALA 33 14.334 -16.902 -4.028 276 HB3 ALA 33 HB2 ALA 33 13.403 -16.912 -5.544 277 H SER 34 H SER 34 11.294 -19.780 -2.654 278 HA SER 34 HA SER 34 12.582 -21.818 -4.363 279 HB2 SER 34 HB2 SER 34 13.808 -22.789 -2.445 280 HB3 SER 34 HB3 SER 34 14.362 -21.148 -2.808 281 HG SER 34 HG SER 34 13.444 -20.394 -1.056 282 H GLN 35 H GLN 35 12.253 -24.016 -3.518 283 HA GLN 35 HA GLN 35 9.510 -24.492 -2.523 284 HB2 GLN 35 HB2 GLN 35 10.573 -25.476 -4.708 285 HB3 GLN 35 HB3 GLN 35 11.498 -26.509 -3.635 286 HG2 GLN 35 HG2 GLN 35 9.643 -27.810 -4.287 287 HG3 GLN 35 HG3 GLN 35 9.225 -27.285 -2.660 288 HE21 GLN 35 HE22 GLN 35 6.970 -26.893 -2.658 289 HE22 GLN 35 HE21 GLN 35 6.178 -26.012 -3.983 290 H GLU 36 H GLU 36 11.247 -23.500 -0.572 291 HA GLU 36 HA GLU 36 12.993 -25.160 0.785 292 HB2 GLU 36 HB2 GLU 36 12.812 -22.780 1.106 293 HB3 GLU 36 HB3 GLU 36 11.220 -22.941 1.861 294 HG2 GLU 36 HG2 GLU 36 12.175 -24.048 3.795 295 HG3 GLU 36 HG3 GLU 36 13.704 -24.301 2.975 296 H VAL 37 H VAL 37 12.718 -27.133 1.635 297 HA VAL 37 HA VAL 37 10.234 -28.250 2.455 298 HB VAL 37 HB VAL 37 13.083 -29.079 3.059 299 HG11 VAL 37 HG11 VAL 37 10.503 -30.699 3.318 300 HG12 VAL 37 HG12 VAL 37 12.142 -31.371 3.425 301 HG13 VAL 37 HG13 VAL 37 11.575 -30.234 4.651 302 HG21 VAL 37 HG23 VAL 37 11.111 -30.027 0.934 303 HG22 VAL 37 HG21 VAL 37 12.559 -29.045 0.641 304 HG23 VAL 37 HG22 VAL 37 12.727 -30.705 1.220 305 H LYS 38 H LYS 38 12.717 -26.568 4.383 306 HA LYS 38 HA LYS 38 11.295 -27.035 6.893 307 HB2 LYS 38 HB2 LYS 38 13.972 -26.475 6.093 308 HB3 LYS 38 HB3 LYS 38 13.479 -25.032 6.948 309 HG2 LYS 38 HG2 LYS 38 13.046 -27.844 7.994 310 HG3 LYS 38 HG3 LYS 38 14.527 -26.931 8.300 311 HD2 LYS 38 HD2 LYS 38 13.396 -25.249 9.561 312 HD3 LYS 38 HD3 LYS 38 11.790 -25.819 9.066 313 HE2 LYS 38 HE2 LYS 38 12.077 -27.883 10.303 314 HE3 LYS 38 HE3 LYS 38 13.738 -27.445 10.760 315 HZ1 LYS 38 HZ3 LYS 38 12.819 -25.679 12.152 316 HZ2 LYS 38 HZ1 LYS 38 11.331 -25.846 11.445 317 HZ3 LYS 38 HZ2 LYS 38 11.782 -26.998 12.365 318 H ASN 39 H ASN 39 9.563 -26.001 5.176 319 HA ASN 39 HA ASN 39 9.485 -23.366 4.520 320 HB2 ASN 39 HB2 ASN 39 7.554 -23.872 3.586 321 HB3 ASN 39 HB3 ASN 39 7.893 -25.503 4.091 322 HD21 ASN 39 HD22 ASN 39 5.456 -23.394 3.908 323 HD22 ASN 39 HD21 ASN 39 4.690 -23.625 5.459 324 H ALA 40 H ALA 40 8.108 -24.474 7.667 325 HA ALA 40 HA ALA 40 7.176 -21.949 8.433 326 HB1 ALA 40 HB3 ALA 40 6.518 -24.155 9.391 327 HB2 ALA 40 HB1 ALA 40 8.082 -24.197 10.244 328 HB3 ALA 40 HB2 ALA 40 6.902 -22.939 10.630 329 H MET 41 H MET 41 10.459 -22.389 7.979 330 HA MET 41 HA MET 41 11.453 -20.766 10.201 331 HB2 MET 41 HB2 MET 41 12.555 -21.247 7.404 332 HB3 MET 41 HB3 MET 41 13.396 -20.338 8.673 333 HG2 MET 41 HG2 MET 41 13.220 -22.357 10.162 334 HG3 MET 41 HG3 MET 41 12.608 -23.255 8.783 335 HE1 MET 41 HE3 MET 41 14.058 -22.982 6.357 336 HE2 MET 41 HE1 MET 41 14.861 -21.433 6.641 337 HE3 MET 41 HE2 MET 41 15.832 -22.883 6.346 338 H THR 42 H THR 42 9.484 -20.006 7.498 339 HA THR 42 HA THR 42 9.861 -17.086 7.968 340 HB THR 42 HB THR 42 8.757 -17.112 5.462 341 HG1 THR 42 HG1 THR 42 10.567 -19.255 5.318 342 HG21 THR 42 HG23 THR 42 10.878 -16.004 6.359 343 HG22 THR 42 HG21 THR 42 11.739 -17.493 5.916 344 HG23 THR 42 HG22 THR 42 10.897 -16.499 4.686 345 H GLU 43 H GLU 43 7.833 -15.944 6.915 346 HA GLU 43 HA GLU 43 5.494 -16.340 8.404 347 HB2 GLU 43 HB2 GLU 43 4.458 -15.026 6.485 348 HB3 GLU 43 HB3 GLU 43 5.804 -14.270 7.337 349 HG2 GLU 43 HG2 GLU 43 7.266 -14.453 5.543 350 HG3 GLU 43 HG3 GLU 43 6.465 -15.875 4.890 351 H THR 44 H THR 44 6.579 -18.325 5.921 352 HA THR 44 HA THR 44 4.473 -19.318 4.496 353 HB THR 44 HB THR 44 6.738 -21.044 5.390 354 HG1 THR 44 HG1 THR 44 8.076 -19.584 4.614 355 HG21 THR 44 HG23 THR 44 4.895 -21.641 3.605 356 HG22 THR 44 HG21 THR 44 5.762 -20.497 2.588 357 HG23 THR 44 HG22 THR 44 6.626 -21.898 3.200 358 H LEU 45 H LEU 45 2.852 -19.094 6.190 359 HA LEU 45 HA LEU 45 2.302 -21.150 7.994 360 HB2 LEU 45 HB2 LEU 45 -0.022 -20.057 6.499 361 HB3 LEU 45 HB3 LEU 45 0.236 -20.289 8.224 362 HG LEU 45 HG LEU 45 1.399 -17.995 6.628 363 HD11 LEU 45 HD11 LEU 45 -1.180 -18.045 8.198 364 HD12 LEU 45 HD12 LEU 45 -0.418 -16.630 7.436 365 HD13 LEU 45 HD13 LEU 45 -1.016 -17.943 6.423 366 HD21 LEU 45 HD23 LEU 45 0.827 -18.334 9.626 367 HD22 LEU 45 HD21 LEU 45 2.428 -18.517 8.879 368 HD23 LEU 45 HD22 LEU 45 1.625 -16.944 8.835 369 H LEU 46 H LEU 46 2.325 -21.652 4.582 370 HA LEU 46 HA LEU 46 1.212 -24.309 4.683 371 HB2 LEU 46 HB2 LEU 46 -0.697 -23.698 3.030 372 HB3 LEU 46 HB3 LEU 46 -0.902 -23.622 4.724 373 HG LEU 46 HG LEU 46 -1.773 -21.746 3.010 374 HD11 LEU 46 HD11 LEU 46 -1.331 -21.710 5.935 375 HD12 LEU 46 HD12 LEU 46 -2.164 -20.380 5.080 376 HD13 LEU 46 HD13 LEU 46 -2.778 -22.052 5.010 377 HD21 LEU 46 HD23 LEU 46 0.428 -20.181 4.352 378 HD22 LEU 46 HD21 LEU 46 0.629 -20.823 2.737 379 HD23 LEU 46 HD22 LEU 46 -0.697 -19.706 3.104 380 H VAL 47 H VAL 47 0.835 -25.156 2.329 381 HA VAL 47 HA VAL 47 2.786 -24.109 0.376 382 HB VAL 47 HB VAL 47 3.128 -26.691 1.887 383 HG11 VAL 47 HG11 VAL 47 4.288 -26.178 -0.892 384 HG12 VAL 47 HG12 VAL 47 4.809 -27.454 0.230 385 HG13 VAL 47 HG13 VAL 47 3.188 -27.508 -0.423 386 HG21 VAL 47 HG23 VAL 47 4.929 -24.434 0.894 387 HG22 VAL 47 HG21 VAL 47 4.390 -24.746 2.576 388 HG23 VAL 47 HG22 VAL 47 5.531 -25.823 1.760 389 H GLN 48 H GLN 48 2.257 -24.407 -1.601 390 HA GLN 48 HA GLN 48 -0.340 -24.998 -2.351 391 HB2 GLN 48 HB2 GLN 48 2.189 -24.691 -4.008 392 HB3 GLN 48 HB3 GLN 48 0.582 -24.878 -4.733 393 HG2 GLN 48 HG2 GLN 48 -0.258 -22.928 -3.549 394 HG3 GLN 48 HG3 GLN 48 1.297 -22.721 -2.727 395 HE21 GLN 48 HE22 GLN 48 -0.610 -21.704 -5.328 396 HE22 GLN 48 HE21 GLN 48 0.716 -20.973 -6.245 397 H ASN 49 H ASN 49 2.402 -27.233 -2.546 398 HA ASN 49 HA ASN 49 1.174 -29.175 -4.215 399 HB2 ASN 49 HB2 ASN 49 3.658 -28.905 -3.537 400 HB3 ASN 49 HB3 ASN 49 3.248 -29.817 -2.080 401 HD21 ASN 49 HD22 ASN 49 3.595 -32.050 -2.375 402 HD22 ASN 49 HD21 ASN 49 3.516 -32.803 -3.974 403 H ALA 50 H ALA 50 -0.075 -28.310 -1.303 404 HA ALA 50 HA ALA 50 -0.647 -30.674 0.104 405 HB1 ALA 50 HB3 ALA 50 -1.043 -28.407 0.893 406 HB2 ALA 50 HB1 ALA 50 -2.312 -28.163 -0.322 407 HB3 ALA 50 HB2 ALA 50 -2.531 -29.358 0.991 408 H ASN 51 H ASN 51 -1.930 -32.401 -0.308 409 HA ASN 51 HA ASN 51 -3.163 -32.614 -3.009 410 HB2 ASN 51 HB2 ASN 51 -2.526 -34.852 -3.026 411 HB3 ASN 51 HB3 ASN 51 -1.125 -34.015 -2.381 412 HD21 ASN 51 HD22 ASN 51 -1.653 -36.750 -2.182 413 HD22 ASN 51 HD21 ASN 51 -2.338 -37.152 -0.630 414 HA PRO 52 HA PRO 52 -7.150 -33.252 -1.264 415 HB2 PRO 52 HB2 PRO 52 -8.194 -35.771 -1.401 416 HB3 PRO 52 HB3 PRO 52 -7.988 -34.707 -2.821 417 HG2 PRO 52 HG2 PRO 52 -6.196 -36.966 -1.917 418 HG3 PRO 52 HG3 PRO 52 -6.746 -36.579 -3.571 419 HD2 PRO 52 HD2 PRO 52 -4.310 -35.881 -2.571 420 HD3 PRO 52 HD3 PRO 52 -5.144 -34.870 -3.793 421 H ASP 53 H ASP 53 -5.163 -36.014 -0.138 422 HA ASP 53 HA ASP 53 -6.702 -36.379 2.255 423 HB2 ASP 53 HB2 ASP 53 -3.902 -37.375 2.239 424 HB3 ASP 53 HB3 ASP 53 -5.397 -38.204 2.639 425 H CYS 54 H CYS 54 -3.530 -34.817 1.683 426 HA CYS 54 HA CYS 54 -2.815 -33.929 4.234 427 HB2 CYS 54 HB2 CYS 54 -1.281 -33.539 2.497 428 HB3 CYS 54 HB3 CYS 54 -2.521 -32.775 1.460 429 HG CYS 54 HG CYS 54 -1.260 -31.525 4.236 430 H LYS 55 H LYS 55 -5.127 -32.270 2.033 431 HA LYS 55 HA LYS 55 -5.484 -30.034 3.876 432 HB2 LYS 55 HB2 LYS 55 -6.997 -31.074 1.487 433 HB3 LYS 55 HB3 LYS 55 -7.763 -29.923 2.574 434 HG2 LYS 55 HG2 LYS 55 -6.834 -28.311 1.275 435 HG3 LYS 55 HG3 LYS 55 -5.431 -28.593 2.284 436 HD2 LYS 55 HD2 LYS 55 -4.614 -28.548 0.075 437 HD3 LYS 55 HD3 LYS 55 -4.622 -30.268 0.485 438 HE2 LYS 55 HE2 LYS 55 -7.014 -30.287 -0.565 439 HE3 LYS 55 HE3 LYS 55 -6.660 -28.639 -1.144 440 HZ1 LYS 55 HZ3 LYS 55 -4.632 -29.688 -2.229 441 HZ2 LYS 55 HZ1 LYS 55 -5.172 -31.100 -1.740 442 HZ3 LYS 55 HZ2 LYS 55 -6.072 -30.266 -2.851 443 H THR 56 H THR 56 -7.407 -33.056 3.393 444 HA THR 56 HA THR 56 -9.233 -32.399 5.508 445 HB THR 56 HB THR 56 -8.418 -35.063 4.316 446 HG1 THR 56 HG1 THR 56 -10.725 -34.625 3.617 447 HG21 THR 56 HG23 THR 56 -9.402 -35.564 6.501 448 HG22 THR 56 HG21 THR 56 -10.729 -34.417 6.205 449 HG23 THR 56 HG22 THR 56 -10.582 -35.909 5.240 450 H ILE 57 H ILE 57 -5.934 -33.306 5.585 451 HA ILE 57 HA ILE 57 -6.052 -34.422 8.339 452 HB ILE 57 HB ILE 57 -3.856 -34.090 6.309 453 HG12 ILE 57 HG12 ILE 57 -4.763 -36.607 7.757 454 HG13 ILE 57 HG13 ILE 57 -5.633 -36.009 6.346 455 HG21 ILE 57 HG21 ILE 57 -3.423 -35.077 9.144 456 HG22 ILE 57 HG22 ILE 57 -2.247 -35.121 7.808 457 HG23 ILE 57 HG23 ILE 57 -2.767 -33.580 8.447 458 HD11 ILE 57 HD13 ILE 57 -3.473 -35.967 5.079 459 HD12 ILE 57 HD11 ILE 57 -2.718 -36.837 6.431 460 HD13 ILE 57 HD12 ILE 57 -4.057 -37.585 5.527 461 H LEU 58 H LEU 58 -4.044 -31.634 6.959 462 HA LEU 58 HA LEU 58 -3.589 -30.732 9.605 463 HB2 LEU 58 HB2 LEU 58 -3.565 -28.995 7.083 464 HB3 LEU 58 HB3 LEU 58 -2.889 -28.591 8.658 465 HG LEU 58 HG LEU 58 -1.577 -30.852 8.373 466 HD11 LEU 58 HD11 LEU 58 -2.464 -30.278 5.593 467 HD12 LEU 58 HD12 LEU 58 -0.838 -31.028 5.882 468 HD13 LEU 58 HD13 LEU 58 -2.290 -31.809 6.477 469 HD21 LEU 58 HD23 LEU 58 -1.057 -28.077 7.368 470 HD22 LEU 58 HD21 LEU 58 -0.189 -29.031 8.596 471 HD23 LEU 58 HD22 LEU 58 0.121 -29.304 6.871 472 H LYS 59 H LYS 59 -6.351 -30.299 7.634 473 HA LYS 59 HA LYS 59 -7.808 -28.252 8.861 474 HB2 LYS 59 HB2 LYS 59 -8.420 -30.874 7.657 475 HB3 LYS 59 HB3 LYS 59 -9.652 -30.307 8.751 476 HG2 LYS 59 HG2 LYS 59 -8.613 -28.294 6.767 477 HG3 LYS 59 HG3 LYS 59 -9.572 -29.634 6.149 478 HD2 LYS 59 HD2 LYS 59 -11.421 -29.101 7.674 479 HD3 LYS 59 HD3 LYS 59 -10.443 -27.878 8.494 480 HE2 LYS 59 HE2 LYS 59 -10.338 -26.573 6.366 481 HE3 LYS 59 HE3 LYS 59 -11.386 -27.772 5.597 482 HZ1 LYS 59 HZ3 LYS 59 -13.104 -27.221 7.255 483 HZ2 LYS 59 HZ1 LYS 59 -12.140 -26.146 7.991 484 HZ3 LYS 59 HZ2 LYS 59 -12.644 -25.832 6.483 485 H ALA 60 H ALA 60 -6.896 -31.242 10.377 486 HA ALA 60 HA ALA 60 -7.859 -30.189 13.003 487 HB1 ALA 60 HB3 ALA 60 -9.287 -32.053 12.238 488 HB2 ALA 60 HB1 ALA 60 -7.847 -33.083 12.051 489 HB3 ALA 60 HB2 ALA 60 -8.336 -32.517 13.664 490 H LEU 61 H LEU 61 -5.129 -30.695 11.253 491 HA LEU 61 HA LEU 61 -3.480 -31.422 13.608 492 HB2 LEU 61 HB2 LEU 61 -3.968 -33.034 11.372 493 HB3 LEU 61 HB3 LEU 61 -2.449 -32.317 10.984 494 HG LEU 61 HG LEU 61 -1.592 -32.996 13.309 495 HD11 LEU 61 HD11 LEU 61 -4.148 -34.667 13.307 496 HD12 LEU 61 HD12 LEU 61 -2.799 -34.845 14.450 497 HD13 LEU 61 HD13 LEU 61 -3.770 -33.372 14.453 498 HD21 LEU 61 HD23 LEU 61 -2.521 -35.239 11.470 499 HD22 LEU 61 HD21 LEU 61 -1.014 -34.307 11.331 500 HD23 LEU 61 HD22 LEU 61 -1.254 -35.366 12.716 501 H GLY 62 H GLY 62 -3.906 -28.789 13.031 502 HA2 GLY 62 HA2 GLY 62 -1.145 -27.865 12.267 503 HA3 GLY 62 HA3 GLY 62 -2.582 -26.855 12.334 504 HA PRO 63 HA PRO 63 -1.498 -27.183 16.953 505 HB2 PRO 63 HB2 PRO 63 -0.060 -29.149 18.103 506 HB3 PRO 63 HB3 PRO 63 -1.690 -29.486 17.458 507 HG2 PRO 63 HG2 PRO 63 0.969 -29.914 16.034 508 HG3 PRO 63 HG3 PRO 63 -0.330 -31.121 16.308 509 HD2 PRO 63 HD2 PRO 63 -0.158 -29.653 14.004 510 HD3 PRO 63 HD3 PRO 63 -1.727 -30.130 14.738 511 H ALA 64 H ALA 64 0.015 -25.901 14.986 512 HA ALA 64 HA ALA 64 1.831 -24.588 14.634 513 HB1 ALA 64 HB3 ALA 64 0.763 -23.691 16.666 514 HB2 ALA 64 HB1 ALA 64 1.910 -24.618 17.666 515 HB3 ALA 64 HB2 ALA 64 2.497 -23.330 16.598 516 H ALA 65 H ALA 65 2.765 -27.642 15.511 517 HA ALA 65 HA ALA 65 5.587 -26.939 14.738 518 HB1 ALA 65 HB3 ALA 65 5.513 -27.256 17.184 519 HB2 ALA 65 HB1 ALA 65 4.747 -28.847 16.975 520 HB3 ALA 65 HB2 ALA 65 6.408 -28.570 16.397 521 H THR 66 H THR 66 3.353 -29.781 15.146 522 HA THR 66 HA THR 66 4.533 -31.425 13.234 523 HB THR 66 HB THR 66 1.543 -31.161 13.676 524 HG1 THR 66 HG1 THR 66 3.205 -32.807 15.178 525 HG21 THR 66 HG23 THR 66 2.108 -32.879 12.012 526 HG22 THR 66 HG21 THR 66 3.322 -33.568 13.099 527 HG23 THR 66 HG22 THR 66 1.592 -33.652 13.513 528 H LEU 67 H LEU 67 2.995 -28.401 12.479 529 HA LEU 67 HA LEU 67 2.010 -28.923 9.861 530 HB2 LEU 67 HB2 LEU 67 1.800 -26.945 11.315 531 HB3 LEU 67 HB3 LEU 67 3.436 -26.473 10.897 532 HG LEU 67 HG LEU 67 0.878 -26.287 9.264 533 HD11 LEU 67 HD11 LEU 67 3.399 -24.597 9.580 534 HD12 LEU 67 HD12 LEU 67 1.904 -24.086 8.766 535 HD13 LEU 67 HD13 LEU 67 1.903 -24.376 10.518 536 HD21 LEU 67 HD23 LEU 67 3.600 -26.584 8.007 537 HD22 LEU 67 HD21 LEU 67 2.124 -27.573 7.731 538 HD23 LEU 67 HD22 LEU 67 2.212 -25.849 7.222 539 H GLU 68 H GLU 68 5.295 -27.997 10.933 540 HA GLU 68 HA GLU 68 6.627 -27.859 8.511 541 HB2 GLU 68 HB2 GLU 68 7.681 -29.290 11.033 542 HB3 GLU 68 HB3 GLU 68 8.666 -28.610 9.718 543 HG2 GLU 68 HG2 GLU 68 7.453 -26.397 10.345 544 HG3 GLU 68 HG3 GLU 68 7.066 -27.240 11.846 545 H GLU 69 H GLU 69 5.757 -30.901 10.153 546 HA GLU 69 HA GLU 69 6.961 -32.448 7.920 547 HB2 GLU 69 HB2 GLU 69 6.060 -34.426 8.863 548 HB3 GLU 69 HB3 GLU 69 6.836 -33.475 10.135 549 HG2 GLU 69 HG2 GLU 69 4.830 -32.909 11.154 550 HG3 GLU 69 HG3 GLU 69 3.823 -33.341 9.765 551 H MET 70 H MET 70 3.752 -31.288 8.821 552 HA MET 70 HA MET 70 2.225 -32.863 7.010 553 HB2 MET 70 HB2 MET 70 1.675 -30.245 8.253 554 HB3 MET 70 HB3 MET 70 0.537 -31.314 7.386 555 HG2 MET 70 HG2 MET 70 1.989 -32.393 9.679 556 HG3 MET 70 HG3 MET 70 0.584 -31.332 9.920 557 HE1 MET 70 HE3 MET 70 2.012 -34.726 8.535 558 HE2 MET 70 HE1 MET 70 1.500 -34.798 10.232 559 HE3 MET 70 HE2 MET 70 0.653 -35.767 9.013 560 H MET 71 H MET 71 3.763 -29.845 6.585 561 HA MET 71 HA MET 71 2.645 -28.892 4.093 562 HB2 MET 71 HB2 MET 71 3.825 -27.294 5.297 563 HB3 MET 71 HB3 MET 71 5.151 -28.370 5.723 564 HG2 MET 71 HG2 MET 71 4.750 -27.675 2.818 565 HG3 MET 71 HG3 MET 71 5.419 -26.462 3.880 566 HE1 MET 71 HE3 MET 71 6.654 -28.069 1.221 567 HE2 MET 71 HE1 MET 71 7.623 -26.718 1.881 568 HE3 MET 71 HE2 MET 71 8.342 -28.324 1.654 569 H THR 72 H THR 72 5.483 -30.867 4.810 570 HA THR 72 HA THR 72 5.999 -31.630 2.034 571 HB THR 72 HB THR 72 6.920 -32.791 4.666 572 HG1 THR 72 HG1 THR 72 7.759 -30.770 4.642 573 HG21 THR 72 HG23 THR 72 7.528 -34.348 2.898 574 HG22 THR 72 HG21 THR 72 8.155 -33.022 1.886 575 HG23 THR 72 HG22 THR 72 8.981 -33.481 3.392 576 H ALA 73 H ALA 73 4.304 -33.175 4.811 577 HA ALA 73 HA ALA 73 4.513 -35.832 3.958 578 HB1 ALA 73 HB3 ALA 73 3.776 -35.126 6.213 579 HB2 ALA 73 HB1 ALA 73 2.245 -34.529 5.526 580 HB3 ALA 73 HB2 ALA 73 2.629 -36.261 5.491 581 H CYS 74 H CYS 74 2.358 -33.347 2.887 582 HA CYS 74 HA CYS 74 0.396 -34.835 1.512 583 HB2 CYS 74 HB2 CYS 74 -0.115 -32.808 0.450 584 HB3 CYS 74 HB3 CYS 74 0.622 -32.316 1.997 585 HG CYS 74 HG CYS 74 1.524 -31.994 -1.097 586 H GLN 75 H GLN 75 3.787 -34.577 0.645 587 HA GLN 75 HA GLN 75 3.474 -35.032 -2.188 588 HB2 GLN 75 HB2 GLN 75 5.781 -35.063 -2.217 589 HB3 GLN 75 HB3 GLN 75 5.418 -34.013 -0.826 590 HG2 GLN 75 HG2 GLN 75 5.827 -35.987 0.673 591 HG3 GLN 75 HG3 GLN 75 6.351 -36.915 -0.743 592 HE21 GLN 75 HE22 GLN 75 7.761 -34.389 -1.868 593 HE22 GLN 75 HE21 GLN 75 9.227 -34.377 -0.871 594 H GLY 76 H GLY 76 3.648 -37.105 0.603 595 HA2 GLY 76 HA2 GLY 76 3.803 -39.579 -1.087 596 HA3 GLY 76 HA3 GLY 76 4.709 -39.357 0.419 597 H VAL 77 H VAL 77 1.914 -37.830 1.113 598 HA VAL 77 HA VAL 77 0.653 -40.125 2.404 599 HB VAL 77 HB VAL 77 0.465 -37.691 3.156 600 HG11 VAL 77 HG11 VAL 77 -1.848 -37.585 1.231 601 HG12 VAL 77 HG12 VAL 77 -1.293 -36.324 2.341 602 HG13 VAL 77 HG13 VAL 77 -0.290 -36.793 0.942 603 HG21 VAL 77 HG23 VAL 77 -2.104 -39.318 2.947 604 HG22 VAL 77 HG21 VAL 77 -0.832 -39.536 4.165 605 HG23 VAL 77 HG22 VAL 77 -1.758 -38.025 4.118 606 H GLY 78 H GLY 78 0.284 -38.562 -0.648 607 HA2 GLY 78 HA2 GLY 78 -1.094 -38.967 -2.507 608 HA3 GLY 78 HA3 GLY 78 -0.020 -40.353 -2.412 609 H GLY 79 H GLY 79 -3.183 -39.531 -0.787 610 HA2 GLY 79 HA2 GLY 79 -4.115 -42.270 -1.378 611 HA3 GLY 79 HA3 GLY 79 -4.924 -41.054 -0.391 612 HA PRO 80 HA PRO 80 -6.901 -40.999 -4.672 613 HB2 PRO 80 HB2 PRO 80 -9.177 -42.419 -4.236 614 HB3 PRO 80 HB3 PRO 80 -7.627 -43.231 -4.608 615 HG2 PRO 80 HG2 PRO 80 -8.856 -42.739 -1.872 616 HG3 PRO 80 HG3 PRO 80 -8.234 -44.284 -2.538 617 HD2 PRO 80 HD2 PRO 80 -6.726 -42.649 -0.933 618 HD3 PRO 80 HD3 PRO 80 -5.996 -43.610 -2.257 619 H GLY 81 H GLY 81 -7.225 -39.798 -1.584 620 HA2 GLY 81 HA2 GLY 81 -8.355 -37.957 -0.810 621 HA3 GLY 81 HA3 GLY 81 -9.453 -37.983 -2.198 622 H HIS 82 H HIS 82 -10.420 -37.457 0.227 623 HA HIS 82 HA HIS 82 -11.516 -39.854 1.501 624 HB2 HIS 82 HB2 HIS 82 -12.281 -38.404 3.197 625 HB3 HIS 82 HB3 HIS 82 -10.697 -37.818 2.742 626 HD2 HIS 82 HD2 HIS 82 -12.610 -36.304 0.067 627 HE1 HIS 82 HE1 HIS 82 -13.447 -33.702 3.330 628 HE2 HIS 82 HE2 HIS 82 -13.559 -33.975 0.797 629 H LYS 83 H LYS 83 -13.943 -39.718 2.165 630 HA LYS 83 HA LYS 83 -15.700 -38.553 0.081 631 HB2 LYS 83 HB2 LYS 83 -14.998 -40.860 -0.592 632 HB3 LYS 83 HB3 LYS 83 -15.775 -41.476 0.860 633 HG2 LYS 83 HG2 LYS 83 -17.887 -40.066 -0.190 634 HG3 LYS 83 HG3 LYS 83 -16.940 -40.252 -1.657 635 HD2 LYS 83 HD2 LYS 83 -18.246 -42.117 -1.823 636 HD3 LYS 83 HD3 LYS 83 -16.902 -42.832 -0.941 637 HE2 LYS 83 HE2 LYS 83 -19.560 -41.814 0.184 638 HE3 LYS 83 HE3 LYS 83 -19.086 -43.506 -0.008 639 HZ1 LYS 83 HZ3 LYS 83 -17.309 -43.083 1.640 640 HZ2 LYS 83 HZ1 LYS 83 -17.847 -41.539 1.846 641 HZ3 LYS 83 HZ2 LYS 83 -18.796 -42.796 2.279 642 H ALA 84 H ALA 84 -15.747 -37.216 2.097 643 HA ALA 84 HA ALA 84 -17.353 -38.001 4.378 644 HB1 ALA 84 HB3 ALA 84 -15.474 -36.360 4.416 645 HB2 ALA 84 HB1 ALA 84 -16.414 -35.272 3.372 646 HB3 ALA 84 HB2 ALA 84 -16.979 -35.659 5.015 647 H ARG 85 H ARG 85 -18.844 -35.449 4.476 648 HA ARG 85 HA ARG 85 -20.910 -35.632 2.397 649 HB2 ARG 85 HB2 ARG 85 -21.378 -37.193 4.481 650 HB3 ARG 85 HB3 ARG 85 -21.762 -35.691 5.320 651 HG2 ARG 85 HG2 ARG 85 -23.588 -35.252 3.707 652 HG3 ARG 85 HG3 ARG 85 -23.053 -36.611 2.708 653 HD2 ARG 85 HD2 ARG 85 -24.959 -37.362 3.910 654 HD3 ARG 85 HD3 ARG 85 -23.552 -38.159 4.641 655 HE ARG 85 HE ARG 85 -24.102 -35.715 6.044 656 HH11 ARG 85 HH11 ARG 85 -25.485 -38.911 5.845 657 HH12 ARG 85 HH12 ARG 85 -26.364 -38.685 7.345 658 HH21 ARG 85 HH21 ARG 85 -25.365 -35.426 7.737 659 HH22 ARG 85 HH22 ARG 85 -26.251 -36.743 8.438 660 H VAL 86 H VAL 86 -22.560 -33.750 2.877 661 HA VAL 86 HA VAL 86 -21.100 -31.334 3.859 662 HB VAL 86 HB VAL 86 -21.060 -31.689 1.364 663 HG11 VAL 86 HG11 VAL 86 -23.989 -30.888 1.478 664 HG12 VAL 86 HG12 VAL 86 -22.997 -31.112 0.028 665 HG13 VAL 86 HG13 VAL 86 -23.382 -32.504 1.053 666 HG21 VAL 86 HG23 VAL 86 -22.338 -29.081 2.226 667 HG22 VAL 86 HG21 VAL 86 -20.620 -29.495 2.393 668 HG23 VAL 86 HG22 VAL 86 -21.356 -29.385 0.785 669 H LEU 87 H LEU 87 -23.297 -33.167 4.824 670 HA LEU 87 HA LEU 87 -24.938 -31.351 6.283 671 HB2 LEU 87 HB2 LEU 87 -26.212 -33.369 4.355 672 HB3 LEU 87 HB3 LEU 87 -27.066 -32.579 5.671 673 HG LEU 87 HG LEU 87 -25.921 -31.147 3.238 674 HD11 LEU 87 HD11 LEU 87 -28.775 -31.849 4.014 675 HD12 LEU 87 HD12 LEU 87 -28.272 -30.895 2.600 676 HD13 LEU 87 HD13 LEU 87 -27.824 -32.606 2.714 677 HD21 LEU 87 HD23 LEU 87 -27.672 -30.154 5.540 678 HD22 LEU 87 HD21 LEU 87 -25.998 -29.660 5.203 679 HD23 LEU 87 HD22 LEU 87 -27.278 -29.232 4.066 Start of MODEL 18 1 H1 MET 1 H1 MET 1 5.721 -4.881 -0.275 2 H2 MET 1 H2 MET 1 4.230 -5.434 -0.628 3 H3 MET 1 H3 MET 1 4.385 -3.960 0.025 4 HA MET 1 HA MET 1 3.929 -3.755 -2.316 5 HB2 MET 1 HB2 MET 1 5.576 -2.220 -1.053 6 HB3 MET 1 HB3 MET 1 6.862 -3.019 -1.948 7 HG2 MET 1 HG2 MET 1 4.523 -1.938 -3.517 8 HG3 MET 1 HG3 MET 1 5.556 -0.763 -2.715 9 HE1 MET 1 HE3 MET 1 5.032 -0.717 -5.857 10 HE2 MET 1 HE1 MET 1 6.058 0.462 -5.003 11 HE3 MET 1 HE2 MET 1 6.674 -0.375 -6.443 12 H SER 2 H SER 2 6.257 -3.860 -4.294 13 HA SER 2 HA SER 2 6.029 -6.593 -5.218 14 HB2 SER 2 HB2 SER 2 6.415 -4.912 -6.852 15 HB3 SER 2 HB3 SER 2 7.835 -4.285 -6.021 16 HG SER 2 HG SER 2 8.332 -5.679 -7.809 17 HA PRO 3 HA PRO 3 9.975 -7.475 -2.755 18 HB2 PRO 3 HB2 PRO 3 11.369 -5.526 -1.447 19 HB3 PRO 3 HB3 PRO 3 11.708 -5.958 -3.153 20 HG2 PRO 3 HG2 PRO 3 10.046 -3.651 -2.106 21 HG3 PRO 3 HG3 PRO 3 11.286 -3.632 -3.399 22 HD2 PRO 3 HD2 PRO 3 8.598 -3.797 -3.908 23 HD3 PRO 3 HD3 PRO 3 9.819 -4.586 -4.952 24 H THR 4 H THR 4 9.271 -8.311 -0.825 25 HA THR 4 HA THR 4 8.172 -6.870 1.385 26 HB THR 4 HB THR 4 6.346 -6.618 -0.390 27 HG1 THR 4 HG1 THR 4 4.769 -7.016 1.189 28 HG21 THR 4 HG23 THR 4 6.271 -8.898 -1.322 29 HG22 THR 4 HG21 THR 4 5.630 -9.492 0.229 30 HG23 THR 4 HG22 THR 4 4.718 -8.307 -0.708 31 H SER 5 H SER 5 6.512 -8.760 2.408 32 HA SER 5 HA SER 5 7.461 -11.488 2.059 33 HB2 SER 5 HB2 SER 5 7.486 -10.379 4.886 34 HB3 SER 5 HB3 SER 5 8.045 -11.962 4.315 35 HG SER 5 HG SER 5 9.495 -10.499 2.950 36 H ILE 6 H ILE 6 5.739 -12.943 3.246 37 HA ILE 6 HA ILE 6 3.242 -12.021 2.240 38 HB ILE 6 HB ILE 6 2.163 -13.914 3.174 39 HG12 ILE 6 HG12 ILE 6 3.760 -15.315 4.867 40 HG13 ILE 6 HG13 ILE 6 4.281 -13.748 5.337 41 HG21 ILE 6 HG21 ILE 6 5.021 -14.694 2.826 42 HG22 ILE 6 HG22 ILE 6 3.573 -15.656 2.457 43 HG23 ILE 6 HG23 ILE 6 3.971 -14.220 1.480 44 HD11 ILE 6 HD13 ILE 6 2.032 -13.104 6.004 45 HD12 ILE 6 HD11 ILE 6 1.351 -14.544 5.234 46 HD13 ILE 6 HD12 ILE 6 2.402 -14.713 6.682 47 H LEU 7 H LEU 7 4.585 -11.597 5.264 48 HA LEU 7 HA LEU 7 2.511 -10.985 7.020 49 HB2 LEU 7 HB2 LEU 7 4.035 -9.650 8.299 50 HB3 LEU 7 HB3 LEU 7 4.856 -11.042 7.615 51 HG LEU 7 HG LEU 7 5.611 -9.327 5.724 52 HD11 LEU 7 HD11 LEU 7 5.089 -7.472 8.099 53 HD12 LEU 7 HD12 LEU 7 6.049 -7.071 6.660 54 HD13 LEU 7 HD13 LEU 7 4.321 -7.356 6.502 55 HD21 LEU 7 HD23 LEU 7 6.770 -9.264 8.543 56 HD22 LEU 7 HD21 LEU 7 7.101 -10.506 7.309 57 HD23 LEU 7 HD22 LEU 7 7.618 -8.841 7.037 58 H ASP 8 H ASP 8 3.176 -9.349 4.247 59 HA ASP 8 HA ASP 8 2.095 -6.667 4.555 60 HB2 ASP 8 HB2 ASP 8 3.688 -7.840 2.818 61 HB3 ASP 8 HB3 ASP 8 2.217 -8.297 1.990 62 H ILE 9 H ILE 9 0.619 -9.817 4.120 63 HA ILE 9 HA ILE 9 -2.070 -8.605 3.690 64 HB ILE 9 HB ILE 9 -2.592 -10.383 2.124 65 HG12 ILE 9 HG12 ILE 9 0.261 -11.291 1.828 66 HG13 ILE 9 HG13 ILE 9 -0.596 -11.875 3.254 67 HG21 ILE 9 HG21 ILE 9 -0.059 -8.992 1.213 68 HG22 ILE 9 HG22 ILE 9 -1.344 -9.679 0.193 69 HG23 ILE 9 HG23 ILE 9 -1.680 -8.279 1.231 70 HD11 ILE 9 HD13 ILE 9 -2.419 -12.715 1.946 71 HD12 ILE 9 HD11 ILE 9 -1.606 -12.211 0.434 72 HD13 ILE 9 HD12 ILE 9 -0.870 -13.454 1.488 73 H ARG 10 H ARG 10 -0.841 -9.624 6.099 74 HA ARG 10 HA ARG 10 -1.643 -12.084 7.017 75 HB2 ARG 10 HB2 ARG 10 -1.373 -9.359 8.267 76 HB3 ARG 10 HB3 ARG 10 -2.203 -10.569 9.234 77 HG2 ARG 10 HG2 ARG 10 0.548 -10.998 8.007 78 HG3 ARG 10 HG3 ARG 10 0.189 -10.426 9.630 79 HD2 ARG 10 HD2 ARG 10 -1.272 -12.614 9.848 80 HD3 ARG 10 HD3 ARG 10 -0.342 -13.129 8.443 81 HE ARG 10 HE ARG 10 1.535 -13.446 9.770 82 HH11 ARG 10 HH11 ARG 10 -0.686 -11.466 11.625 83 HH12 ARG 10 HH12 ARG 10 0.232 -11.617 13.092 84 HH21 ARG 10 HH21 ARG 10 2.701 -13.564 11.690 85 HH22 ARG 10 HH22 ARG 10 2.108 -12.768 13.116 86 H GLN 11 H GLN 11 -3.294 -13.112 6.922 87 HA GLN 11 HA GLN 11 -6.056 -11.962 7.237 88 HB2 GLN 11 HB2 GLN 11 -5.352 -13.407 5.207 89 HB3 GLN 11 HB3 GLN 11 -5.280 -14.741 6.354 90 HG2 GLN 11 HG2 GLN 11 -7.368 -15.033 5.405 91 HG3 GLN 11 HG3 GLN 11 -7.785 -14.167 6.877 92 HE21 GLN 11 HE22 GLN 11 -8.896 -14.344 3.762 93 HE22 GLN 11 HE21 GLN 11 -9.158 -12.620 3.564 94 H GLY 12 H GLY 12 -4.107 -14.844 8.366 95 HA2 GLY 12 HA2 GLY 12 -4.010 -14.982 10.878 96 HA3 GLY 12 HA3 GLY 12 -5.772 -14.909 10.851 97 HA PRO 13 HA PRO 13 -4.384 -19.171 8.967 98 HB2 PRO 13 HB2 PRO 13 -2.183 -20.348 10.067 99 HB3 PRO 13 HB3 PRO 13 -2.081 -19.086 8.822 100 HG2 PRO 13 HG2 PRO 13 -1.904 -18.731 11.841 101 HG3 PRO 13 HG3 PRO 13 -0.739 -18.141 10.615 102 HD2 PRO 13 HD2 PRO 13 -2.730 -16.585 11.642 103 HD3 PRO 13 HD3 PRO 13 -2.224 -16.410 9.927 104 H LYS 14 H LYS 14 -6.053 -18.414 11.121 105 HA LYS 14 HA LYS 14 -5.863 -20.532 13.218 106 HB2 LYS 14 HB2 LYS 14 -6.027 -18.240 13.946 107 HB3 LYS 14 HB3 LYS 14 -7.477 -17.979 12.991 108 HG2 LYS 14 HG2 LYS 14 -8.035 -18.105 15.296 109 HG3 LYS 14 HG3 LYS 14 -8.762 -19.446 14.453 110 HD2 LYS 14 HD2 LYS 14 -6.160 -19.754 15.999 111 HD3 LYS 14 HD3 LYS 14 -7.710 -19.772 16.828 112 HE2 LYS 14 HE2 LYS 14 -6.925 -21.706 14.627 113 HE3 LYS 14 HE3 LYS 14 -6.789 -22.048 16.340 114 HZ1 LYS 14 HZ3 LYS 14 -9.104 -22.241 16.528 115 HZ2 LYS 14 HZ1 LYS 14 -9.429 -21.232 15.283 116 HZ3 LYS 14 HZ2 LYS 14 -8.973 -22.683 14.941 117 H GLU 15 H GLU 15 -8.421 -19.296 11.037 118 HA GLU 15 HA GLU 15 -9.723 -21.968 11.050 119 HB2 GLU 15 HB2 GLU 15 -10.640 -19.372 12.029 120 HB3 GLU 15 HB3 GLU 15 -11.629 -19.858 10.668 121 HG2 GLU 15 HG2 GLU 15 -12.707 -20.718 12.538 122 HG3 GLU 15 HG3 GLU 15 -11.945 -22.095 11.734 123 HA PRO 16 HA PRO 16 -11.155 -19.920 6.966 124 HB2 PRO 16 HB2 PRO 16 -9.594 -17.974 5.709 125 HB3 PRO 16 HB3 PRO 16 -10.912 -17.641 6.879 126 HG2 PRO 16 HG2 PRO 16 -7.929 -17.814 7.348 127 HG3 PRO 16 HG3 PRO 16 -9.076 -16.568 7.936 128 HD2 PRO 16 HD2 PRO 16 -8.240 -18.603 9.479 129 HD3 PRO 16 HD3 PRO 16 -9.926 -18.010 9.599 130 H PHE 17 H PHE 17 -8.215 -21.223 7.558 131 HA PHE 17 HA PHE 17 -6.285 -21.456 6.196 132 HB2 PHE 17 HB2 PHE 17 -7.697 -23.512 7.202 133 HB3 PHE 17 HB3 PHE 17 -7.676 -24.026 5.534 134 HD1 PHE 17 HD2 PHE 17 -5.454 -22.675 8.247 135 HD2 PHE 17 HD1 PHE 17 -5.726 -25.273 4.808 136 HE1 PHE 17 HE2 PHE 17 -3.139 -23.499 8.663 137 HE2 PHE 17 HE1 PHE 17 -3.407 -26.068 5.243 138 HZ PHE 17 HZ PHE 17 -2.167 -25.233 7.248 139 H ARG 18 H ARG 18 -8.462 -23.144 3.999 140 HA ARG 18 HA ARG 18 -7.314 -22.856 1.576 141 HB2 ARG 18 HB2 ARG 18 -9.846 -22.517 0.726 142 HB3 ARG 18 HB3 ARG 18 -9.178 -23.998 1.327 143 HG2 ARG 18 HG2 ARG 18 -11.282 -23.950 2.242 144 HG3 ARG 18 HG3 ARG 18 -10.230 -23.570 3.575 145 HD2 ARG 18 HD2 ARG 18 -11.568 -21.875 4.053 146 HD3 ARG 18 HD3 ARG 18 -11.000 -21.026 2.644 147 HE ARG 18 HE ARG 18 -13.508 -22.598 2.939 148 HH11 ARG 18 HH11 ARG 18 -11.706 -20.374 0.895 149 HH12 ARG 18 HH12 ARG 18 -13.131 -19.925 0.009 150 HH21 ARG 18 HH21 ARG 18 -15.262 -21.954 1.745 151 HH22 ARG 18 HH22 ARG 18 -15.050 -20.833 0.438 152 H ASP 19 H ASP 19 -9.399 -20.362 2.761 153 HA ASP 19 HA ASP 19 -9.303 -18.611 0.462 154 HB2 ASP 19 HB2 ASP 19 -11.144 -18.468 2.046 155 HB3 ASP 19 HB3 ASP 19 -10.032 -18.126 3.378 156 H TYR 20 H TYR 20 -7.317 -18.845 3.368 157 HA TYR 20 HA TYR 20 -5.723 -16.444 2.684 158 HB2 TYR 20 HB2 TYR 20 -6.373 -16.990 5.022 159 HB3 TYR 20 HB3 TYR 20 -5.524 -18.517 4.900 160 HD1 TYR 20 HD2 TYR 20 -4.165 -15.256 3.566 161 HD2 TYR 20 HD1 TYR 20 -4.074 -18.214 6.720 162 HE1 TYR 20 HE2 TYR 20 -2.240 -14.098 4.589 163 HE2 TYR 20 HE1 TYR 20 -2.114 -17.078 7.710 164 HH TYR 20 HH TYR 20 -0.595 -15.424 7.467 165 H VAL 21 H VAL 21 -5.445 -19.970 2.607 166 HA VAL 21 HA VAL 21 -2.667 -20.305 2.229 167 HB VAL 21 HB VAL 21 -4.953 -21.883 0.926 168 HG11 VAL 21 HG11 VAL 21 -2.068 -22.703 1.367 169 HG12 VAL 21 HG12 VAL 21 -3.411 -23.724 0.784 170 HG13 VAL 21 HG13 VAL 21 -2.844 -22.357 -0.179 171 HG21 VAL 21 HG23 VAL 21 -4.479 -21.878 3.656 172 HG22 VAL 21 HG21 VAL 21 -5.352 -23.105 2.718 173 HG23 VAL 21 HG22 VAL 21 -3.664 -23.334 3.097 174 H ASP 22 H ASP 22 -5.107 -19.798 -0.366 175 HA ASP 22 HA ASP 22 -3.157 -19.828 -2.432 176 HB2 ASP 22 HB2 ASP 22 -5.905 -19.403 -2.247 177 HB3 ASP 22 HB3 ASP 22 -5.328 -17.897 -2.897 178 H ARG 23 H ARG 23 -4.441 -17.120 -0.713 179 HA ARG 23 HA ARG 23 -2.960 -14.986 -1.873 180 HB2 ARG 23 HB2 ARG 23 -3.495 -14.728 1.066 181 HB3 ARG 23 HB3 ARG 23 -3.815 -13.598 -0.234 182 HG2 ARG 23 HG2 ARG 23 -5.340 -16.110 0.447 183 HG3 ARG 23 HG3 ARG 23 -5.787 -14.514 1.013 184 HD2 ARG 23 HD2 ARG 23 -5.417 -14.712 -1.945 185 HD3 ARG 23 HD3 ARG 23 -6.696 -15.724 -1.302 186 HE ARG 23 HE ARG 23 -6.449 -12.755 -1.033 187 HH11 ARG 23 HH11 ARG 23 -8.227 -15.550 -0.045 188 HH12 ARG 23 HH12 ARG 23 -9.718 -14.777 0.233 189 HH21 ARG 23 HH21 ARG 23 -8.465 -11.624 -0.750 190 HH22 ARG 23 HH22 ARG 23 -9.812 -12.546 -0.122 191 H PHE 24 H PHE 24 -2.102 -17.064 0.885 192 HA PHE 24 HA PHE 24 0.305 -15.636 1.609 193 HB2 PHE 24 HB2 PHE 24 -0.689 -17.068 3.260 194 HB3 PHE 24 HB3 PHE 24 -0.768 -18.423 2.134 195 HD1 PHE 24 HD1 PHE 24 1.148 -19.753 1.609 196 HD2 PHE 24 HD2 PHE 24 1.464 -16.587 4.464 197 HE1 PHE 24 HE1 PHE 24 3.636 -20.190 1.831 198 HE2 PHE 24 HE2 PHE 24 3.852 -17.283 4.898 199 HZ PHE 24 HZ PHE 24 4.997 -18.765 3.301 200 H TYR 25 H TYR 25 -0.220 -18.717 -0.314 201 HA TYR 25 HA TYR 25 2.479 -18.722 -1.303 202 HB2 TYR 25 HB2 TYR 25 -0.061 -19.963 -2.333 203 HB3 TYR 25 HB3 TYR 25 1.395 -19.979 -3.305 204 HD1 TYR 25 HD2 TYR 25 2.426 -20.222 0.061 205 HD2 TYR 25 HD1 TYR 25 0.797 -22.519 -3.110 206 HE1 TYR 25 HE2 TYR 25 3.197 -22.314 1.203 207 HE2 TYR 25 HE1 TYR 25 1.551 -24.640 -1.998 208 HH TYR 25 HH TYR 25 3.132 -24.583 1.215 209 H LYS 26 H LYS 26 -0.196 -16.679 -2.391 210 HA LYS 26 HA LYS 26 1.332 -15.833 -4.754 211 HB2 LYS 26 HB2 LYS 26 -1.451 -15.383 -3.730 212 HB3 LYS 26 HB3 LYS 26 -0.811 -14.309 -4.963 213 HG2 LYS 26 HG2 LYS 26 -2.104 -16.466 -5.680 214 HG3 LYS 26 HG3 LYS 26 -0.694 -15.913 -6.581 215 HD2 LYS 26 HD2 LYS 26 0.741 -17.621 -5.514 216 HD3 LYS 26 HD3 LYS 26 -0.579 -18.171 -4.521 217 HE2 LYS 26 HE2 LYS 26 -0.850 -18.051 -7.551 218 HE3 LYS 26 HE3 LYS 26 -0.055 -19.431 -6.757 219 HZ1 LYS 26 HZ3 LYS 26 -1.997 -19.985 -5.642 220 HZ2 LYS 26 HZ1 LYS 26 -2.800 -18.628 -5.918 221 HZ3 LYS 26 HZ2 LYS 26 -2.538 -19.685 -7.132 222 H THR 27 H THR 27 1.434 -14.648 -1.616 223 HA THR 27 HA THR 27 3.049 -12.374 -2.731 224 HB THR 27 HB THR 27 3.011 -11.438 -0.428 225 HG1 THR 27 HG1 THR 27 1.484 -12.330 1.001 226 HG21 THR 27 HG23 THR 27 1.300 -10.760 -2.166 227 HG22 THR 27 HG21 THR 27 0.177 -11.935 -1.434 228 HG23 THR 27 HG22 THR 27 0.785 -10.553 -0.489 229 H LEU 28 H LEU 28 3.192 -15.451 -1.126 230 HA LEU 28 HA LEU 28 5.913 -15.149 -0.127 231 HB2 LEU 28 HB2 LEU 28 4.256 -16.680 0.743 232 HB3 LEU 28 HB3 LEU 28 4.203 -17.553 -0.762 233 HG LEU 28 HG LEU 28 5.471 -18.475 1.193 234 HD11 LEU 28 HD11 LEU 28 7.126 -18.403 -1.291 235 HD12 LEU 28 HD12 LEU 28 6.878 -19.674 -0.076 236 HD13 LEU 28 HD13 LEU 28 5.569 -19.258 -1.192 237 HD21 LEU 28 HD23 LEU 28 7.729 -16.633 0.409 238 HD22 LEU 28 HD21 LEU 28 6.764 -16.511 1.886 239 HD23 LEU 28 HD22 LEU 28 7.769 -17.944 1.593 240 H ARG 29 H ARG 29 4.526 -16.451 -3.067 241 HA ARG 29 HA ARG 29 6.270 -18.120 -4.179 242 HB2 ARG 29 HB2 ARG 29 5.329 -17.464 -6.439 243 HB3 ARG 29 HB3 ARG 29 4.170 -17.821 -5.190 244 HG2 ARG 29 HG2 ARG 29 3.801 -15.448 -4.749 245 HG3 ARG 29 HG3 ARG 29 5.125 -14.998 -5.831 246 HD2 ARG 29 HD2 ARG 29 3.920 -15.859 -7.765 247 HD3 ARG 29 HD3 ARG 29 2.618 -16.485 -6.728 248 HE ARG 29 HE ARG 29 2.482 -13.946 -5.997 249 HH11 ARG 29 HH11 ARG 29 2.888 -15.025 -9.282 250 HH12 ARG 29 HH12 ARG 29 2.269 -13.531 -9.943 251 HH21 ARG 29 HH21 ARG 29 1.689 -12.156 -6.818 252 HH22 ARG 29 HH22 ARG 29 1.595 -11.892 -8.538 253 H ALA 30 H ALA 30 7.793 -15.269 -3.594 254 HA ALA 30 HA ALA 30 9.561 -15.316 -5.951 255 HB1 ALA 30 HB3 ALA 30 9.354 -13.260 -4.575 256 HB2 ALA 30 HB1 ALA 30 9.902 -14.153 -3.137 257 HB3 ALA 30 HB2 ALA 30 11.007 -13.905 -4.507 258 H GLU 31 H GLU 31 9.302 -16.864 -2.732 259 HA GLU 31 HA GLU 31 11.621 -18.655 -3.347 260 HB2 GLU 31 HB2 GLU 31 9.853 -18.348 -0.886 261 HB3 GLU 31 HB3 GLU 31 10.934 -19.713 -1.185 262 HG2 GLU 31 HG2 GLU 31 12.855 -18.095 -1.280 263 HG3 GLU 31 HG3 GLU 31 11.747 -16.881 -0.610 264 H GLN 32 H GLN 32 8.571 -19.611 -1.763 265 HA GLN 32 HA GLN 32 8.792 -22.167 -3.089 266 HB2 GLN 32 HB2 GLN 32 6.621 -21.548 -1.113 267 HB3 GLN 32 HB3 GLN 32 7.416 -23.058 -1.452 268 HG2 GLN 32 HG2 GLN 32 8.772 -20.668 -0.106 269 HG3 GLN 32 HG3 GLN 32 8.077 -22.016 0.753 270 HE21 GLN 32 HE22 GLN 32 10.998 -21.036 0.681 271 HE22 GLN 32 HE21 GLN 32 11.840 -22.467 0.082 272 H ALA 33 H ALA 33 8.301 -20.518 -4.982 273 HA ALA 33 HA ALA 33 5.748 -20.032 -6.053 274 HB1 ALA 33 HB3 ALA 33 8.011 -19.342 -6.975 275 HB2 ALA 33 HB1 ALA 33 8.236 -20.993 -7.548 276 HB3 ALA 33 HB2 ALA 33 6.913 -20.001 -8.203 277 H SER 34 H SER 34 7.403 -23.092 -5.770 278 HA SER 34 HA SER 34 5.603 -24.653 -7.504 279 HB2 SER 34 HB2 SER 34 7.751 -25.498 -5.516 280 HB3 SER 34 HB3 SER 34 6.882 -26.576 -6.631 281 HG SER 34 HG SER 34 8.083 -24.292 -7.677 282 H GLN 35 H GLN 35 3.586 -23.873 -6.421 283 HA GLN 35 HA GLN 35 2.903 -24.295 -3.820 284 HB2 GLN 35 HB2 GLN 35 0.719 -23.906 -4.708 285 HB3 GLN 35 HB3 GLN 35 1.849 -22.775 -5.383 286 HG2 GLN 35 HG2 GLN 35 1.392 -23.442 -7.519 287 HG3 GLN 35 HG3 GLN 35 1.312 -25.153 -7.100 288 HE21 GLN 35 HE22 GLN 35 -0.707 -25.898 -5.922 289 HE22 GLN 35 HE21 GLN 35 -2.207 -25.036 -6.301 290 H GLU 36 H GLU 36 3.940 -26.449 -3.590 291 HA GLU 36 HA GLU 36 2.159 -28.835 -4.024 292 HB2 GLU 36 HB2 GLU 36 3.986 -28.401 -5.747 293 HB3 GLU 36 HB3 GLU 36 5.163 -28.578 -4.450 294 HG2 GLU 36 HG2 GLU 36 4.360 -30.913 -4.097 295 HG3 GLU 36 HG3 GLU 36 3.225 -30.706 -5.437 296 H VAL 37 H VAL 37 3.186 -30.694 -2.794 297 HA VAL 37 HA VAL 37 3.491 -30.497 0.015 298 HB VAL 37 HB VAL 37 4.462 -32.447 -2.105 299 HG11 VAL 37 HG11 VAL 37 4.842 -32.804 0.885 300 HG12 VAL 37 HG12 VAL 37 4.961 -34.101 -0.328 301 HG13 VAL 37 HG13 VAL 37 6.101 -32.754 -0.371 302 HG21 VAL 37 HG23 VAL 37 2.351 -32.677 0.081 303 HG22 VAL 37 HG21 VAL 37 2.028 -32.330 -1.634 304 HG23 VAL 37 HG22 VAL 37 2.716 -33.892 -1.164 305 H LYS 38 H LYS 38 5.781 -29.721 -2.468 306 HA LYS 38 HA LYS 38 8.286 -29.644 -1.085 307 HB2 LYS 38 HB2 LYS 38 7.138 -28.048 -3.405 308 HB3 LYS 38 HB3 LYS 38 8.834 -27.992 -2.928 309 HG2 LYS 38 HG2 LYS 38 9.106 -30.381 -3.438 310 HG3 LYS 38 HG3 LYS 38 7.422 -30.450 -3.998 311 HD2 LYS 38 HD2 LYS 38 7.906 -28.728 -5.720 312 HD3 LYS 38 HD3 LYS 38 9.536 -28.533 -5.085 313 HE2 LYS 38 HE2 LYS 38 9.844 -29.791 -7.002 314 HE3 LYS 38 HE3 LYS 38 9.976 -30.971 -5.686 315 HZ1 LYS 38 HZ3 LYS 38 7.660 -31.644 -6.179 316 HZ2 LYS 38 HZ1 LYS 38 7.455 -30.510 -7.215 317 HZ3 LYS 38 HZ2 LYS 38 8.517 -31.726 -7.590 318 H ASN 39 H ASN 39 6.111 -28.311 0.563 319 HA ASN 39 HA ASN 39 6.786 -25.497 0.759 320 HB2 ASN 39 HB2 ASN 39 4.638 -26.769 1.481 321 HB3 ASN 39 HB3 ASN 39 5.538 -27.149 2.970 322 HD21 ASN 39 HD22 ASN 39 3.315 -25.771 3.312 323 HD22 ASN 39 HD21 ASN 39 3.604 -24.042 3.507 324 H ALA 40 H ALA 40 7.837 -24.583 2.815 325 HA ALA 40 HA ALA 40 10.182 -26.228 3.672 326 HB1 ALA 40 HB3 ALA 40 10.599 -25.003 1.510 327 HB2 ALA 40 HB1 ALA 40 10.365 -23.479 2.399 328 HB3 ALA 40 HB2 ALA 40 11.711 -24.571 2.813 329 H MET 41 H MET 41 11.619 -23.918 4.674 330 HA MET 41 HA MET 41 10.223 -23.723 7.293 331 HB2 MET 41 HB2 MET 41 13.183 -23.443 6.674 332 HB3 MET 41 HB3 MET 41 12.439 -23.578 8.265 333 HG2 MET 41 HG2 MET 41 12.656 -25.718 6.133 334 HG3 MET 41 HG3 MET 41 13.444 -25.672 7.698 335 HE1 MET 41 HE3 MET 41 11.964 -25.830 10.069 336 HE2 MET 41 HE1 MET 41 10.708 -24.708 9.489 337 HE3 MET 41 HE2 MET 41 10.254 -26.314 10.082 338 H THR 42 H THR 42 10.203 -21.669 4.857 339 HA THR 42 HA THR 42 11.039 -19.172 5.923 340 HB THR 42 HB THR 42 8.647 -19.198 4.135 341 HG1 THR 42 HG1 THR 42 10.595 -19.897 2.532 342 HG21 THR 42 HG23 THR 42 10.260 -17.264 4.500 343 HG22 THR 42 HG21 THR 42 11.506 -18.239 3.699 344 HG23 THR 42 HG22 THR 42 10.053 -17.735 2.806 345 H GLU 43 H GLU 43 8.983 -17.449 5.887 346 HA GLU 43 HA GLU 43 7.354 -17.623 8.200 347 HB2 GLU 43 HB2 GLU 43 6.042 -15.815 7.011 348 HB3 GLU 43 HB3 GLU 43 7.800 -15.540 7.108 349 HG2 GLU 43 HG2 GLU 43 7.972 -16.430 4.721 350 HG3 GLU 43 HG3 GLU 43 6.224 -16.531 4.688 351 H THR 44 H THR 44 7.080 -19.423 5.511 352 HA THR 44 HA THR 44 4.366 -19.893 5.047 353 HB THR 44 HB THR 44 6.300 -20.663 3.657 354 HG1 THR 44 HG1 THR 44 5.233 -22.721 3.231 355 HG21 THR 44 HG23 THR 44 7.514 -21.818 5.593 356 HG22 THR 44 HG21 THR 44 6.326 -23.116 5.439 357 HG23 THR 44 HG22 THR 44 7.394 -22.710 4.074 358 H LEU 45 H LEU 45 2.870 -21.157 5.391 359 HA LEU 45 HA LEU 45 2.810 -22.649 7.955 360 HB2 LEU 45 HB2 LEU 45 0.479 -20.965 7.119 361 HB3 LEU 45 HB3 LEU 45 0.990 -21.403 8.708 362 HG LEU 45 HG LEU 45 2.638 -19.386 7.112 363 HD11 LEU 45 HD11 LEU 45 0.114 -18.759 8.583 364 HD12 LEU 45 HD12 LEU 45 1.306 -17.590 7.944 365 HD13 LEU 45 HD13 LEU 45 0.417 -18.630 6.821 366 HD21 LEU 45 HD23 LEU 45 2.012 -19.723 10.080 367 HD22 LEU 45 HD21 LEU 45 3.496 -20.263 9.263 368 HD23 LEU 45 HD22 LEU 45 3.134 -18.539 9.340 369 H LEU 46 H LEU 46 1.620 -22.507 4.602 370 HA LEU 46 HA LEU 46 -0.027 -24.911 5.010 371 HB2 LEU 46 HB2 LEU 46 -2.105 -23.807 4.615 372 HB3 LEU 46 HB3 LEU 46 -1.316 -23.138 6.013 373 HG LEU 46 HG LEU 46 -1.999 -21.882 3.433 374 HD11 LEU 46 HD11 LEU 46 -1.996 -20.795 6.267 375 HD12 LEU 46 HD12 LEU 46 -2.886 -20.140 4.873 376 HD13 LEU 46 HD13 LEU 46 -3.341 -21.711 5.580 377 HD21 LEU 46 HD23 LEU 46 0.217 -20.654 5.049 378 HD22 LEU 46 HD21 LEU 46 0.271 -21.239 3.368 379 HD23 LEU 46 HD22 LEU 46 -0.752 -19.871 3.815 380 H VAL 47 H VAL 47 -1.432 -25.364 2.949 381 HA VAL 47 HA VAL 47 0.310 -24.956 0.565 382 HB VAL 47 HB VAL 47 -0.761 -27.641 1.461 383 HG11 VAL 47 HG11 VAL 47 1.419 -26.782 -0.499 384 HG12 VAL 47 HG12 VAL 47 0.988 -28.457 -0.121 385 HG13 VAL 47 HG13 VAL 47 -0.174 -27.397 -0.944 386 HG21 VAL 47 HG23 VAL 47 2.021 -26.594 1.995 387 HG22 VAL 47 HG21 VAL 47 0.771 -26.925 3.220 388 HG23 VAL 47 HG22 VAL 47 1.444 -28.248 2.265 389 H GLN 48 H GLN 48 -0.765 -24.284 -1.098 390 HA GLN 48 HA GLN 48 -3.403 -23.955 -1.520 391 HB2 GLN 48 HB2 GLN 48 -1.161 -24.356 -3.465 392 HB3 GLN 48 HB3 GLN 48 -2.827 -24.169 -4.032 393 HG2 GLN 48 HG2 GLN 48 -3.036 -22.071 -2.679 394 HG3 GLN 48 HG3 GLN 48 -1.321 -22.209 -2.274 395 HE21 GLN 48 HE21 GLN 48 -3.639 -21.816 -5.042 396 HE22 GLN 48 HE22 GLN 48 -2.321 -22.077 -6.234 397 H ASN 49 H ASN 49 -5.049 -24.975 -1.690 398 HA ASN 49 HA ASN 49 -6.486 -26.616 -1.268 399 HB2 ASN 49 HB2 ASN 49 -6.601 -25.751 -3.620 400 HB3 ASN 49 HB3 ASN 49 -5.668 -27.147 -4.121 401 HD21 ASN 49 HD22 ASN 49 -7.347 -28.129 -5.395 402 HD22 ASN 49 HD21 ASN 49 -8.863 -28.648 -4.687 403 H ALA 50 H ALA 50 -3.449 -27.818 -1.275 404 HA ALA 50 HA ALA 50 -2.715 -29.998 -1.989 405 HB1 ALA 50 HB3 ALA 50 -1.793 -28.958 -0.014 406 HB2 ALA 50 HB1 ALA 50 -3.052 -29.668 1.011 407 HB3 ALA 50 HB2 ALA 50 -1.855 -30.712 0.201 408 H ASN 51 H ASN 51 -5.178 -30.480 0.438 409 HA ASN 51 HA ASN 51 -6.352 -32.839 -0.835 410 HB2 ASN 51 HB2 ASN 51 -5.838 -34.255 1.214 411 HB3 ASN 51 HB3 ASN 51 -4.385 -33.809 0.338 412 HD21 ASN 51 HD22 ASN 51 -2.951 -32.317 1.421 413 HD22 ASN 51 HD21 ASN 51 -3.307 -31.863 3.094 414 HA PRO 52 HA PRO 52 -9.737 -31.056 1.633 415 HB2 PRO 52 HB2 PRO 52 -11.481 -33.093 2.027 416 HB3 PRO 52 HB3 PRO 52 -11.162 -32.402 0.407 417 HG2 PRO 52 HG2 PRO 52 -10.020 -34.917 1.629 418 HG3 PRO 52 HG3 PRO 52 -10.662 -34.681 -0.020 419 HD2 PRO 52 HD2 PRO 52 -7.968 -34.592 0.608 420 HD3 PRO 52 HD3 PRO 52 -8.682 -33.686 -0.757 421 H ASP 53 H ASP 53 -8.023 -33.792 2.900 422 HA ASP 53 HA ASP 53 -9.182 -34.091 5.402 423 HB2 ASP 53 HB2 ASP 53 -6.299 -34.728 5.304 424 HB3 ASP 53 HB3 ASP 53 -7.666 -35.755 5.671 425 H CYS 54 H CYS 54 -6.051 -32.454 4.776 426 HA CYS 54 HA CYS 54 -5.603 -31.332 7.290 427 HB2 CYS 54 HB2 CYS 54 -4.222 -29.675 6.170 428 HB3 CYS 54 HB3 CYS 54 -3.917 -31.280 5.494 429 HG CYS 54 HG CYS 54 -3.593 -29.372 3.742 430 H LYS 55 H LYS 55 -6.984 -29.628 4.617 431 HA LYS 55 HA LYS 55 -8.084 -27.315 5.644 432 HB2 LYS 55 HB2 LYS 55 -8.945 -29.313 3.619 433 HB3 LYS 55 HB3 LYS 55 -10.219 -28.247 4.154 434 HG2 LYS 55 HG2 LYS 55 -9.409 -26.432 3.040 435 HG3 LYS 55 HG3 LYS 55 -7.757 -26.716 3.573 436 HD2 LYS 55 HD2 LYS 55 -7.912 -26.751 1.138 437 HD3 LYS 55 HD3 LYS 55 -7.343 -28.277 1.802 438 HE2 LYS 55 HE2 LYS 55 -9.755 -29.119 1.611 439 HE3 LYS 55 HE3 LYS 55 -10.121 -27.650 0.693 440 HZ1 LYS 55 HZ3 LYS 55 -8.486 -28.351 -0.968 441 HZ2 LYS 55 HZ1 LYS 55 -8.005 -29.604 -0.048 442 HZ3 LYS 55 HZ2 LYS 55 -9.510 -29.588 -0.733 443 H THR 56 H THR 56 -9.869 -30.408 5.899 444 HA THR 56 HA THR 56 -12.025 -29.374 7.477 445 HB THR 56 HB THR 56 -11.051 -32.250 7.205 446 HG1 THR 56 HG1 THR 56 -11.519 -31.703 5.221 447 HG21 THR 56 HG23 THR 56 -12.734 -32.109 8.970 448 HG22 THR 56 HG21 THR 56 -13.771 -31.081 7.949 449 HG23 THR 56 HG22 THR 56 -13.481 -32.781 7.517 450 H ILE 57 H ILE 57 -8.877 -30.522 8.293 451 HA ILE 57 HA ILE 57 -9.525 -31.012 11.177 452 HB ILE 57 HB ILE 57 -6.958 -31.328 9.590 453 HG12 ILE 57 HG12 ILE 57 -8.570 -33.513 10.958 454 HG13 ILE 57 HG13 ILE 57 -8.992 -32.975 9.341 455 HG21 ILE 57 HG21 ILE 57 -7.489 -31.907 12.543 456 HG22 ILE 57 HG22 ILE 57 -6.064 -32.478 11.651 457 HG23 ILE 57 HG23 ILE 57 -6.306 -30.759 11.887 458 HD11 ILE 57 HD13 ILE 57 -6.659 -33.418 8.575 459 HD12 ILE 57 HD11 ILE 57 -6.305 -34.146 10.157 460 HD13 ILE 57 HD12 ILE 57 -7.536 -34.869 9.102 461 H LEU 58 H LEU 58 -6.953 -29.043 9.525 462 HA LEU 58 HA LEU 58 -6.399 -27.505 11.817 463 HB2 LEU 58 HB2 LEU 58 -6.007 -26.613 8.935 464 HB3 LEU 58 HB3 LEU 58 -5.284 -25.931 10.389 465 HG LEU 58 HG LEU 58 -4.436 -28.421 10.792 466 HD11 LEU 58 HD11 LEU 58 -5.031 -28.321 7.859 467 HD12 LEU 58 HD12 LEU 58 -3.680 -29.335 8.478 468 HD13 LEU 58 HD13 LEU 58 -5.315 -29.621 9.049 469 HD21 LEU 58 HD23 LEU 58 -3.383 -26.179 9.114 470 HD22 LEU 58 HD21 LEU 58 -2.801 -26.826 10.659 471 HD23 LEU 58 HD22 LEU 58 -2.443 -27.666 9.132 472 H LYS 59 H LYS 59 -8.986 -27.134 9.480 473 HA LYS 59 HA LYS 59 -10.158 -24.720 10.027 474 HB2 LYS 59 HB2 LYS 59 -10.966 -27.436 9.433 475 HB3 LYS 59 HB3 LYS 59 -12.184 -26.683 10.379 476 HG2 LYS 59 HG2 LYS 59 -10.919 -25.334 7.957 477 HG3 LYS 59 HG3 LYS 59 -12.258 -26.432 7.837 478 HD2 LYS 59 HD2 LYS 59 -12.179 -23.756 9.358 479 HD3 LYS 59 HD3 LYS 59 -12.885 -24.005 7.778 480 HE2 LYS 59 HE2 LYS 59 -14.710 -23.860 9.188 481 HE3 LYS 59 HE3 LYS 59 -14.570 -25.593 8.868 482 HZ1 LYS 59 HZ3 LYS 59 -13.677 -25.901 11.040 483 HZ2 LYS 59 HZ1 LYS 59 -13.361 -24.354 11.289 484 HZ3 LYS 59 HZ2 LYS 59 -14.930 -24.864 11.291 485 H ALA 60 H ALA 60 -9.593 -27.025 12.395 486 HA ALA 60 HA ALA 60 -10.608 -25.147 14.499 487 HB1 ALA 60 HB3 ALA 60 -12.048 -27.151 14.459 488 HB2 ALA 60 HB1 ALA 60 -10.620 -28.205 14.575 489 HB3 ALA 60 HB2 ALA 60 -11.053 -27.134 15.930 490 H LEU 61 H LEU 61 -8.088 -27.295 13.310 491 HA LEU 61 HA LEU 61 -6.472 -27.094 15.749 492 HB2 LEU 61 HB2 LEU 61 -7.055 -29.191 14.035 493 HB3 LEU 61 HB3 LEU 61 -5.439 -28.793 13.534 494 HG LEU 61 HG LEU 61 -6.147 -29.152 16.479 495 HD11 LEU 61 HD11 LEU 61 -5.295 -31.334 14.554 496 HD12 LEU 61 HD12 LEU 61 -5.368 -31.490 16.321 497 HD13 LEU 61 HD13 LEU 61 -6.848 -31.197 15.394 498 HD21 LEU 61 HD23 LEU 61 -3.531 -29.426 14.947 499 HD22 LEU 61 HD21 LEU 61 -3.971 -28.113 16.040 500 HD23 LEU 61 HD22 LEU 61 -3.744 -29.748 16.679 501 H GLY 62 H GLY 62 -6.610 -24.707 14.803 502 HA2 GLY 62 HA2 GLY 62 -3.872 -24.134 13.675 503 HA3 GLY 62 HA3 GLY 62 -5.233 -23.019 13.632 504 HA PRO 63 HA PRO 63 -4.092 -22.744 18.203 505 HB2 PRO 63 HB2 PRO 63 -2.651 -24.570 19.611 506 HB3 PRO 63 HB3 PRO 63 -4.285 -24.975 19.017 507 HG2 PRO 63 HG2 PRO 63 -1.634 -25.575 17.629 508 HG3 PRO 63 HG3 PRO 63 -2.919 -26.744 18.084 509 HD2 PRO 63 HD2 PRO 63 -2.847 -25.640 15.598 510 HD3 PRO 63 HD3 PRO 63 -4.388 -25.919 16.474 511 H ALA 64 H ALA 64 -2.394 -21.964 15.996 512 HA ALA 64 HA ALA 64 -0.392 -21.061 15.384 513 HB1 ALA 64 HB3 ALA 64 -1.410 -19.438 16.947 514 HB2 ALA 64 HB1 ALA 64 -0.430 -20.121 18.267 515 HB3 ALA 64 HB2 ALA 64 0.361 -19.324 16.897 516 H ALA 65 H ALA 65 0.002 -23.857 16.708 517 HA ALA 65 HA ALA 65 2.942 -23.743 16.306 518 HB1 ALA 65 HB3 ALA 65 2.683 -23.625 18.738 519 HB2 ALA 65 HB1 ALA 65 1.625 -25.053 18.739 520 HB3 ALA 65 HB2 ALA 65 3.338 -25.199 18.261 521 H THR 66 H THR 66 0.711 -26.426 17.322 522 HA THR 66 HA THR 66 1.783 -28.380 15.793 523 HB THR 66 HB THR 66 -1.230 -28.280 15.978 524 HG1 THR 66 HG1 THR 66 0.245 -29.083 18.165 525 HG21 THR 66 HG23 THR 66 -0.203 -30.352 15.110 526 HG22 THR 66 HG21 THR 66 0.849 -30.460 16.518 527 HG23 THR 66 HG22 THR 66 -0.917 -30.645 16.698 528 H LEU 67 H LEU 67 0.022 -25.824 14.307 529 HA LEU 67 HA LEU 67 -0.935 -27.003 11.907 530 HB2 LEU 67 HB2 LEU 67 -1.292 -24.781 12.887 531 HB3 LEU 67 HB3 LEU 67 0.319 -24.306 12.419 532 HG LEU 67 HG LEU 67 -2.178 -24.581 10.657 533 HD11 LEU 67 HD11 LEU 67 0.232 -22.720 10.795 534 HD12 LEU 67 HD12 LEU 67 -1.210 -22.490 9.781 535 HD13 LEU 67 HD13 LEU 67 -1.346 -22.392 11.552 536 HD21 LEU 67 HD23 LEU 67 0.588 -24.936 9.599 537 HD22 LEU 67 HD21 LEU 67 -0.778 -26.102 9.583 538 HD23 LEU 67 HD22 LEU 67 -0.905 -24.573 8.714 539 H GLU 68 H GLU 68 2.321 -25.678 12.710 540 HA GLU 68 HA GLU 68 3.769 -25.939 10.451 541 HB2 GLU 68 HB2 GLU 68 4.517 -27.100 13.205 542 HB3 GLU 68 HB3 GLU 68 5.690 -26.718 11.926 543 HG2 GLU 68 HG2 GLU 68 5.071 -24.366 12.059 544 HG3 GLU 68 HG3 GLU 68 3.795 -24.730 13.165 545 H GLU 69 H GLU 69 2.816 -28.774 12.330 546 HA GLU 69 HA GLU 69 3.908 -30.580 10.211 547 HB2 GLU 69 HB2 GLU 69 2.906 -32.438 11.399 548 HB3 GLU 69 HB3 GLU 69 3.996 -31.485 12.406 549 HG2 GLU 69 HG2 GLU 69 2.302 -30.658 13.766 550 HG3 GLU 69 HG3 GLU 69 1.039 -30.990 12.588 551 H MET 70 H MET 70 0.693 -29.519 11.307 552 HA MET 70 HA MET 70 -0.817 -31.308 9.672 553 HB2 MET 70 HB2 MET 70 -1.545 -28.638 10.771 554 HB3 MET 70 HB3 MET 70 -2.690 -29.908 10.260 555 HG2 MET 70 HG2 MET 70 -0.957 -30.917 12.260 556 HG3 MET 70 HG3 MET 70 -1.559 -29.310 12.743 557 HE1 MET 70 HE3 MET 70 -1.995 -32.930 13.098 558 HE2 MET 70 HE1 MET 70 -2.084 -31.848 14.497 559 HE3 MET 70 HE2 MET 70 -3.473 -32.878 14.082 560 H MET 71 H MET 71 0.548 -28.291 8.971 561 HA MET 71 HA MET 71 -0.423 -27.051 6.762 562 HB2 MET 71 HB2 MET 71 1.668 -26.434 7.860 563 HB3 MET 71 HB3 MET 71 2.373 -27.993 7.506 564 HG2 MET 71 HG2 MET 71 2.111 -27.279 4.970 565 HG3 MET 71 HG3 MET 71 2.022 -25.670 5.619 566 HE1 MET 71 HE3 MET 71 4.077 -24.480 6.914 567 HE2 MET 71 HE1 MET 71 4.102 -25.791 8.122 568 HE3 MET 71 HE2 MET 71 5.596 -25.313 7.293 569 H THR 72 H THR 72 1.551 -29.970 6.663 570 HA THR 72 HA THR 72 0.530 -30.696 3.958 571 HB THR 72 HB THR 72 3.289 -31.327 4.961 572 HG1 THR 72 HG1 THR 72 4.083 -29.477 4.003 573 HG21 THR 72 HG23 THR 72 2.601 -32.458 2.869 574 HG22 THR 72 HG21 THR 72 2.172 -30.888 2.150 575 HG23 THR 72 HG22 THR 72 3.868 -31.270 2.515 576 H ALA 73 H ALA 73 1.427 -31.768 7.211 577 HA ALA 73 HA ALA 73 1.933 -34.497 6.408 578 HB1 ALA 73 HB3 ALA 73 3.173 -33.332 8.265 579 HB2 ALA 73 HB1 ALA 73 1.675 -33.415 9.232 580 HB3 ALA 73 HB2 ALA 73 2.471 -34.902 8.713 581 H CYS 74 H CYS 74 -0.880 -32.726 7.122 582 HA CYS 74 HA CYS 74 -2.418 -35.009 8.169 583 HB2 CYS 74 HB2 CYS 74 -3.121 -32.194 7.317 584 HB3 CYS 74 HB3 CYS 74 -4.377 -33.425 7.630 585 HG CYS 74 HG CYS 74 -4.012 -31.884 9.803 586 H GLN 75 H GLN 75 -1.177 -34.361 5.043 587 HA GLN 75 HA GLN 75 -3.570 -34.945 3.553 588 HB2 GLN 75 HB2 GLN 75 -2.268 -34.623 1.663 589 HB3 GLN 75 HB3 GLN 75 -1.528 -33.588 2.872 590 HG2 GLN 75 HG2 GLN 75 0.354 -34.395 1.987 591 HG3 GLN 75 HG3 GLN 75 0.107 -35.582 3.260 592 HE21 GLN 75 HE22 GLN 75 0.807 -37.530 2.309 593 HE22 GLN 75 HE21 GLN 75 0.405 -38.040 0.676 594 H GLY 76 H GLY 76 -4.567 -36.831 3.468 595 HA2 GLY 76 HA2 GLY 76 -4.964 -39.095 3.391 596 HA3 GLY 76 HA3 GLY 76 -3.266 -39.362 2.966 597 H VAL 77 H VAL 77 -3.640 -37.653 5.949 598 HA VAL 77 HA VAL 77 -2.188 -39.559 7.376 599 HB VAL 77 HB VAL 77 -2.441 -37.133 7.838 600 HG11 VAL 77 HG11 VAL 77 -4.857 -37.931 9.514 601 HG12 VAL 77 HG12 VAL 77 -4.122 -36.323 9.391 602 HG13 VAL 77 HG13 VAL 77 -4.941 -37.026 7.986 603 HG21 VAL 77 HG23 VAL 77 -2.658 -38.867 10.318 604 HG22 VAL 77 HG21 VAL 77 -1.192 -38.631 9.338 605 HG23 VAL 77 HG22 VAL 77 -1.924 -37.259 10.181 606 H GLY 78 H GLY 78 -5.527 -39.818 6.753 607 HA2 GLY 78 HA2 GLY 78 -6.481 -41.312 8.986 608 HA3 GLY 78 HA3 GLY 78 -7.083 -41.414 7.327 609 H GLY 79 H GLY 79 -4.429 -42.405 6.234 610 HA2 GLY 79 HA2 GLY 79 -3.185 -44.394 7.530 611 HA3 GLY 79 HA3 GLY 79 -4.659 -45.240 7.067 612 HA PRO 80 HA PRO 80 -1.434 -45.138 3.570 613 HB2 PRO 80 HB2 PRO 80 -0.070 -47.484 3.858 614 HB3 PRO 80 HB3 PRO 80 0.349 -46.006 4.779 615 HG2 PRO 80 HG2 PRO 80 -1.364 -48.342 5.694 616 HG3 PRO 80 HG3 PRO 80 0.011 -47.577 6.555 617 HD2 PRO 80 HD2 PRO 80 -2.591 -46.904 7.067 618 HD3 PRO 80 HD3 PRO 80 -1.276 -45.690 7.127 619 H GLY 81 H GLY 81 -1.644 -46.138 1.582 620 HA2 GLY 81 HA2 GLY 81 -2.663 -48.678 0.899 621 HA3 GLY 81 HA3 GLY 81 -4.033 -47.573 0.980 622 H HIS 82 H HIS 82 -3.310 -48.787 -1.398 623 HA HIS 82 HA HIS 82 -1.820 -47.078 -3.178 624 HB2 HIS 82 HB2 HIS 82 -3.059 -48.571 -4.899 625 HB3 HIS 82 HB3 HIS 82 -1.944 -49.308 -3.767 626 HD2 HIS 82 HD2 HIS 82 -5.717 -48.502 -3.127 627 HE1 HIS 82 HE1 HIS 82 -5.049 -52.635 -2.327 628 HE2 HIS 82 HE2 HIS 82 -6.787 -50.762 -2.302 629 H LYS 83 H LYS 83 -3.371 -45.241 -1.863 630 HA LYS 83 HA LYS 83 -5.835 -44.676 -3.324 631 HB2 LYS 83 HB2 LYS 83 -5.512 -44.120 -0.921 632 HB3 LYS 83 HB3 LYS 83 -4.338 -42.882 -1.356 633 HG2 LYS 83 HG2 LYS 83 -7.009 -42.777 -2.750 634 HG3 LYS 83 HG3 LYS 83 -7.030 -42.464 -1.019 635 HD2 LYS 83 HD2 LYS 83 -5.665 -40.528 -1.198 636 HD3 LYS 83 HD3 LYS 83 -5.120 -40.943 -2.817 637 HE2 LYS 83 HE2 LYS 83 -6.684 -39.136 -3.000 638 HE3 LYS 83 HE3 LYS 83 -7.346 -40.587 -3.749 639 HZ1 LYS 83 HZ3 LYS 83 -8.671 -40.937 -1.732 640 HZ2 LYS 83 HZ1 LYS 83 -8.052 -39.570 -1.048 641 HZ3 LYS 83 HZ2 LYS 83 -9.003 -39.465 -2.382 642 H ALA 84 H ALA 84 -5.365 -44.482 -5.442 643 HA ALA 84 HA ALA 84 -3.466 -42.843 -6.693 644 HB1 ALA 84 HB3 ALA 84 -4.839 -44.589 -7.787 645 HB2 ALA 84 HB1 ALA 84 -6.282 -43.565 -7.619 646 HB3 ALA 84 HB2 ALA 84 -4.938 -43.055 -8.659 647 H ARG 85 H ARG 85 -4.025 -40.995 -8.155 648 HA ARG 85 HA ARG 85 -5.725 -38.841 -7.012 649 HB2 ARG 85 HB2 ARG 85 -2.735 -38.699 -7.660 650 HB3 ARG 85 HB3 ARG 85 -3.745 -37.272 -7.512 651 HG2 ARG 85 HG2 ARG 85 -3.213 -39.244 -5.250 652 HG3 ARG 85 HG3 ARG 85 -2.402 -37.698 -5.518 653 HD2 ARG 85 HD2 ARG 85 -5.054 -36.938 -5.599 654 HD3 ARG 85 HD3 ARG 85 -5.117 -38.253 -4.439 655 HE ARG 85 HE ARG 85 -3.311 -37.028 -3.155 656 HH11 ARG 85 HH11 ARG 85 -5.310 -35.032 -5.377 657 HH12 ARG 85 HH12 ARG 85 -4.889 -33.603 -4.580 658 HH21 ARG 85 HH21 ARG 85 -2.879 -35.103 -2.160 659 HH22 ARG 85 HH22 ARG 85 -3.649 -33.639 -2.742 660 H VAL 86 H VAL 86 -5.995 -37.124 -8.518 661 HA VAL 86 HA VAL 86 -5.178 -37.373 -11.307 662 HB VAL 86 HB VAL 86 -7.461 -36.902 -12.213 663 HG11 VAL 86 HG11 VAL 86 -7.214 -39.661 -10.964 664 HG12 VAL 86 HG12 VAL 86 -8.128 -39.208 -12.416 665 HG13 VAL 86 HG13 VAL 86 -6.359 -39.118 -12.424 666 HG21 VAL 86 HG23 VAL 86 -8.491 -37.986 -9.550 667 HG22 VAL 86 HG21 VAL 86 -8.749 -36.344 -10.192 668 HG23 VAL 86 HG22 VAL 86 -9.453 -37.728 -11.017 669 H LEU 87 H LEU 87 -7.039 -35.793 -8.844 670 HA LEU 87 HA LEU 87 -5.632 -33.245 -9.107 671 HB2 LEU 87 HB2 LEU 87 -8.662 -33.550 -8.715 672 HB3 LEU 87 HB3 LEU 87 -7.746 -32.112 -8.351 673 HG LEU 87 HG LEU 87 -8.854 -31.618 -10.281 674 HD11 LEU 87 HD11 LEU 87 -6.087 -32.396 -11.252 675 HD12 LEU 87 HD12 LEU 87 -7.167 -31.187 -11.973 676 HD13 LEU 87 HD13 LEU 87 -6.486 -30.920 -10.351 677 HD21 LEU 87 HD23 LEU 87 -7.846 -34.104 -11.675 678 HD22 LEU 87 HD21 LEU 87 -9.464 -33.924 -10.960 679 HD23 LEU 87 HD22 LEU 87 -8.957 -32.883 -12.304 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -1.996 -1.834 -0.208 2 H2 MET 1 H2 MET 1 -0.647 -2.721 0.234 3 H3 MET 1 H3 MET 1 -2.060 -3.473 0.163 4 HA MET 1 HA MET 1 -0.706 -4.050 -1.623 5 HB2 MET 1 HB2 MET 1 -3.355 -2.818 -2.029 6 HB3 MET 1 HB3 MET 1 -2.395 -2.941 -3.503 7 HG2 MET 1 HG2 MET 1 -2.755 -5.320 -1.652 8 HG3 MET 1 HG3 MET 1 -3.911 -4.892 -2.902 9 HE1 MET 1 HE3 MET 1 0.243 -5.106 -3.036 10 HE2 MET 1 HE1 MET 1 -0.463 -6.434 -2.075 11 HE3 MET 1 HE2 MET 1 0.258 -6.752 -3.667 12 H SER 2 H SER 2 1.285 -3.241 -1.819 13 HA SER 2 HA SER 2 1.530 -1.421 -4.083 14 HB2 SER 2 HB2 SER 2 3.214 0.048 -3.090 15 HB3 SER 2 HB3 SER 2 1.626 0.219 -2.327 16 HG SER 2 HG SER 2 3.335 0.117 -0.800 17 HA PRO 3 HA PRO 3 5.324 -4.132 -4.099 18 HB2 PRO 3 HB2 PRO 3 6.113 -5.759 -2.149 19 HB3 PRO 3 HB3 PRO 3 6.113 -4.005 -1.835 20 HG2 PRO 3 HG2 PRO 3 3.977 -6.023 -1.045 21 HG3 PRO 3 HG3 PRO 3 4.763 -4.782 -0.020 22 HD2 PRO 3 HD2 PRO 3 2.361 -4.482 -1.432 23 HD3 PRO 3 HD3 PRO 3 3.368 -3.132 -0.828 24 H THR 4 H THR 4 5.742 -6.879 -3.798 25 HA THR 4 HA THR 4 3.121 -8.232 -4.219 26 HB THR 4 HB THR 4 4.083 -9.794 -5.833 27 HG1 THR 4 HG1 THR 4 6.181 -7.976 -6.236 28 HG21 THR 4 HG23 THR 4 2.793 -7.849 -6.631 29 HG22 THR 4 HG21 THR 4 4.286 -6.902 -6.760 30 HG23 THR 4 HG22 THR 4 4.055 -8.338 -7.783 31 H SER 5 H SER 5 5.432 -7.917 -2.075 32 HA SER 5 HA SER 5 5.925 -10.629 -1.165 33 HB2 SER 5 HB2 SER 5 6.480 -9.222 0.954 34 HB3 SER 5 HB3 SER 5 7.533 -9.108 -0.460 35 HG SER 5 HG SER 5 6.916 -7.140 0.603 36 H ILE 6 H ILE 6 5.197 -11.090 1.185 37 HA ILE 6 HA ILE 6 2.263 -11.218 0.967 38 HB ILE 6 HB ILE 6 2.288 -13.072 2.196 39 HG12 ILE 6 HG12 ILE 6 4.317 -13.684 3.820 40 HG13 ILE 6 HG13 ILE 6 4.542 -11.973 3.889 41 HG21 ILE 6 HG21 ILE 6 5.217 -13.296 1.538 42 HG22 ILE 6 HG22 ILE 6 3.902 -14.453 1.250 43 HG23 ILE 6 HG23 ILE 6 4.042 -13.070 0.236 44 HD11 ILE 6 HD13 ILE 6 2.151 -11.738 4.735 45 HD12 ILE 6 HD11 ILE 6 1.973 -13.506 4.626 46 HD13 ILE 6 HD12 ILE 6 3.125 -12.795 5.757 47 H LEU 7 H LEU 7 4.610 -9.878 3.069 48 HA LEU 7 HA LEU 7 3.139 -9.026 5.285 49 HB2 LEU 7 HB2 LEU 7 5.092 -7.504 5.657 50 HB3 LEU 7 HB3 LEU 7 5.472 -9.187 5.352 51 HG LEU 7 HG LEU 7 6.100 -8.628 2.999 52 HD11 LEU 7 HD11 LEU 7 5.640 -5.771 3.928 53 HD12 LEU 7 HD12 LEU 7 6.634 -6.197 2.519 54 HD13 LEU 7 HD13 LEU 7 4.909 -6.588 2.528 55 HD21 LEU 7 HD23 LEU 7 7.584 -7.102 5.160 56 HD22 LEU 7 HD21 LEU 7 7.773 -8.827 4.752 57 HD23 LEU 7 HD22 LEU 7 8.235 -7.599 3.573 58 H ASP 8 H ASP 8 2.028 -8.203 2.583 59 HA ASP 8 HA ASP 8 1.286 -5.352 3.028 60 HB2 ASP 8 HB2 ASP 8 1.893 -6.332 0.738 61 HB3 ASP 8 HB3 ASP 8 0.422 -7.294 0.842 62 H ILE 9 H ILE 9 0.322 -8.604 3.681 63 HA ILE 9 HA ILE 9 -2.162 -7.729 5.051 64 HB ILE 9 HB ILE 9 -3.247 -9.762 4.536 65 HG12 ILE 9 HG12 ILE 9 -1.086 -10.455 2.511 66 HG13 ILE 9 HG13 ILE 9 -1.210 -11.196 4.118 67 HG21 ILE 9 HG21 ILE 9 -2.458 -8.386 1.952 68 HG22 ILE 9 HG22 ILE 9 -3.988 -9.221 2.312 69 HG23 ILE 9 HG23 ILE 9 -3.579 -7.713 3.143 70 HD11 ILE 9 HD13 ILE 9 -3.542 -11.892 3.586 71 HD12 ILE 9 HD11 ILE 9 -3.302 -11.335 1.915 72 HD13 ILE 9 HD12 ILE 9 -2.307 -12.658 2.556 73 H ARG 10 H ARG 10 -2.798 -9.369 6.780 74 HA ARG 10 HA ARG 10 -0.427 -10.448 8.172 75 HB2 ARG 10 HB2 ARG 10 -1.909 -11.131 9.913 76 HB3 ARG 10 HB3 ARG 10 -2.327 -9.485 9.460 77 HG2 ARG 10 HG2 ARG 10 -4.431 -10.396 9.668 78 HG3 ARG 10 HG3 ARG 10 -4.173 -10.636 7.955 79 HD2 ARG 10 HD2 ARG 10 -4.495 -12.829 8.184 80 HD3 ARG 10 HD3 ARG 10 -3.070 -12.943 9.198 81 HE ARG 10 HE ARG 10 -5.749 -13.361 10.031 82 HH11 ARG 10 HH11 ARG 10 -2.764 -12.097 11.335 83 HH12 ARG 10 HH12 ARG 10 -3.168 -12.638 12.944 84 HH21 ARG 10 HH21 ARG 10 -6.064 -14.151 11.891 85 HH22 ARG 10 HH22 ARG 10 -5.042 -13.823 13.278 86 H GLN 11 H GLN 11 -0.112 -12.558 8.544 87 HA GLN 11 HA GLN 11 -0.559 -14.480 6.501 88 HB2 GLN 11 HB2 GLN 11 0.699 -16.012 7.951 89 HB3 GLN 11 HB3 GLN 11 1.490 -14.491 7.606 90 HG2 GLN 11 HG2 GLN 11 0.088 -15.074 10.242 91 HG3 GLN 11 HG3 GLN 11 1.801 -15.347 9.956 92 HE21 GLN 11 HE22 GLN 11 3.187 -13.256 9.333 93 HE22 GLN 11 HE21 GLN 11 2.546 -11.791 9.994 94 H GLY 12 H GLY 12 -1.024 -16.623 9.050 95 HA2 GLY 12 HA2 GLY 12 -3.801 -16.320 9.467 96 HA3 GLY 12 HA3 GLY 12 -3.569 -17.365 8.050 97 HA PRO 13 HA PRO 13 -1.843 -19.913 11.810 98 HB2 PRO 13 HB2 PRO 13 -1.798 -18.804 14.307 99 HB3 PRO 13 HB3 PRO 13 -0.514 -18.530 13.091 100 HG2 PRO 13 HG2 PRO 13 -2.913 -16.752 13.672 101 HG3 PRO 13 HG3 PRO 13 -1.171 -16.282 13.558 102 HD2 PRO 13 HD2 PRO 13 -2.911 -15.969 11.524 103 HD3 PRO 13 HD3 PRO 13 -1.213 -16.459 11.240 104 H LYS 14 H LYS 14 -4.783 -18.285 11.748 105 HA LYS 14 HA LYS 14 -6.132 -20.536 13.203 106 HB2 LYS 14 HB2 LYS 14 -5.992 -18.548 14.613 107 HB3 LYS 14 HB3 LYS 14 -6.714 -17.550 13.352 108 HG2 LYS 14 HG2 LYS 14 -8.266 -18.019 15.158 109 HG3 LYS 14 HG3 LYS 14 -8.869 -18.666 13.640 110 HD2 LYS 14 HD2 LYS 14 -8.106 -20.945 14.296 111 HD3 LYS 14 HD3 LYS 14 -7.467 -20.304 15.815 112 HE2 LYS 14 HE2 LYS 14 -10.381 -20.248 14.899 113 HE3 LYS 14 HE3 LYS 14 -9.698 -21.392 16.058 114 HZ1 LYS 14 HZ3 LYS 14 -9.172 -19.512 17.508 115 HZ2 LYS 14 HZ1 LYS 14 -9.830 -18.454 16.434 116 HZ3 LYS 14 HZ2 LYS 14 -10.785 -19.552 17.197 117 H GLU 15 H GLU 15 -5.672 -19.049 10.361 118 HA GLU 15 HA GLU 15 -8.369 -18.790 9.293 119 HB2 GLU 15 HB2 GLU 15 -5.533 -18.031 8.569 120 HB3 GLU 15 HB3 GLU 15 -6.734 -17.958 7.343 121 HG2 GLU 15 HG2 GLU 15 -6.750 -15.814 8.106 122 HG3 GLU 15 HG3 GLU 15 -8.152 -16.510 8.895 123 HA PRO 16 HA PRO 16 -8.626 -22.311 6.618 124 HB2 PRO 16 HB2 PRO 16 -8.291 -20.806 4.118 125 HB3 PRO 16 HB3 PRO 16 -9.604 -21.885 4.678 126 HG2 PRO 16 HG2 PRO 16 -9.964 -19.212 4.654 127 HG3 PRO 16 HG3 PRO 16 -10.596 -20.238 5.988 128 HD2 PRO 16 HD2 PRO 16 -8.066 -18.612 5.897 129 HD3 PRO 16 HD3 PRO 16 -9.284 -18.708 7.205 130 H PHE 17 H PHE 17 -7.659 -23.876 5.122 131 HA PHE 17 HA PHE 17 -4.703 -23.520 4.758 132 HB2 PHE 17 HB2 PHE 17 -6.230 -25.904 5.376 133 HB3 PHE 17 HB3 PHE 17 -5.289 -26.130 3.933 134 HD1 PHE 17 HD2 PHE 17 -4.686 -24.442 7.257 135 HD2 PHE 17 HD1 PHE 17 -3.190 -27.198 4.277 136 HE1 PHE 17 HE2 PHE 17 -2.583 -24.751 8.554 137 HE2 PHE 17 HE1 PHE 17 -1.133 -27.534 5.639 138 HZ PHE 17 HZ PHE 17 -0.801 -26.229 7.705 139 H ARG 18 H ARG 18 -6.313 -25.581 2.419 140 HA ARG 18 HA ARG 18 -5.713 -24.524 0.009 141 HB2 ARG 18 HB2 ARG 18 -8.592 -24.932 -0.049 142 HB3 ARG 18 HB3 ARG 18 -7.281 -25.817 -0.781 143 HG2 ARG 18 HG2 ARG 18 -8.520 -27.369 0.501 144 HG3 ARG 18 HG3 ARG 18 -6.992 -27.085 1.300 145 HD2 ARG 18 HD2 ARG 18 -8.499 -27.065 3.131 146 HD3 ARG 18 HD3 ARG 18 -8.339 -25.325 2.751 147 HE ARG 18 HE ARG 18 -10.463 -25.213 2.123 148 HH11 ARG 18 HH11 ARG 18 -10.199 -28.715 2.652 149 HH12 ARG 18 HH12 ARG 18 -11.694 -28.967 1.823 150 HH21 ARG 18 HH21 ARG 18 -12.258 -25.578 1.371 151 HH22 ARG 18 HH22 ARG 18 -12.975 -27.182 1.232 152 H ASP 19 H ASP 19 -8.501 -23.292 1.742 153 HA ASP 19 HA ASP 19 -9.253 -21.386 -0.187 154 HB2 ASP 19 HB2 ASP 19 -10.310 -20.978 2.541 155 HB3 ASP 19 HB3 ASP 19 -11.153 -21.270 1.033 156 H TYR 20 H TYR 20 -6.884 -21.170 2.235 157 HA TYR 20 HA TYR 20 -6.543 -18.201 1.658 158 HB2 TYR 20 HB2 TYR 20 -7.009 -18.076 3.870 159 HB3 TYR 20 HB3 TYR 20 -6.270 -19.618 4.246 160 HD1 TYR 20 HD1 TYR 20 -3.948 -19.884 4.675 161 HD2 TYR 20 HD2 TYR 20 -5.528 -15.993 3.706 162 HE1 TYR 20 HE1 TYR 20 -1.751 -18.836 5.247 163 HE2 TYR 20 HE2 TYR 20 -3.354 -14.952 4.353 164 HH TYR 20 HH TYR 20 -0.504 -16.942 5.180 165 H VAL 21 H VAL 21 -4.896 -21.312 1.750 166 HA VAL 21 HA VAL 21 -2.240 -20.386 1.692 167 HB VAL 21 HB VAL 21 -2.990 -22.786 2.052 168 HG11 VAL 21 HG11 VAL 21 -2.736 -23.191 -0.928 169 HG12 VAL 21 HG12 VAL 21 -3.167 -24.361 0.354 170 HG13 VAL 21 HG13 VAL 21 -4.265 -23.043 -0.095 171 HG21 VAL 21 HG23 VAL 21 -0.756 -22.585 0.004 172 HG22 VAL 21 HG21 VAL 21 -0.585 -21.900 1.600 173 HG23 VAL 21 HG22 VAL 21 -0.904 -23.627 1.445 174 H ASP 22 H ASP 22 -4.475 -21.073 -1.043 175 HA ASP 22 HA ASP 22 -2.736 -20.506 -3.135 176 HB2 ASP 22 HB2 ASP 22 -5.661 -20.452 -2.539 177 HB3 ASP 22 HB3 ASP 22 -5.152 -19.557 -3.934 178 H ARG 23 H ARG 23 -4.595 -18.348 -1.178 179 HA ARG 23 HA ARG 23 -3.967 -15.887 -2.549 180 HB2 ARG 23 HB2 ARG 23 -4.619 -15.890 0.414 181 HB3 ARG 23 HB3 ARG 23 -5.162 -14.791 -0.849 182 HG2 ARG 23 HG2 ARG 23 -6.101 -17.623 -0.283 183 HG3 ARG 23 HG3 ARG 23 -7.005 -16.155 0.021 184 HD2 ARG 23 HD2 ARG 23 -6.108 -16.577 -2.812 185 HD3 ARG 23 HD3 ARG 23 -7.146 -17.818 -2.132 186 HE ARG 23 HE ARG 23 -7.925 -14.979 -1.743 187 HH11 ARG 23 HH11 ARG 23 -8.528 -17.924 -3.537 188 HH12 ARG 23 HH12 ARG 23 -10.131 -17.470 -4.016 189 HH21 ARG 23 HH21 ARG 23 -10.015 -14.372 -2.496 190 HH22 ARG 23 HH22 ARG 23 -10.925 -15.498 -3.456 191 H PHE 24 H PHE 24 -2.373 -17.518 0.208 192 HA PHE 24 HA PHE 24 -0.453 -15.281 0.392 193 HB2 PHE 24 HB2 PHE 24 -1.300 -16.244 2.361 194 HB3 PHE 24 HB3 PHE 24 -0.998 -17.888 1.770 195 HD1 PHE 24 HD1 PHE 24 1.614 -15.149 1.729 196 HD2 PHE 24 HD2 PHE 24 0.056 -18.653 3.639 197 HE1 PHE 24 HE1 PHE 24 3.773 -15.503 2.967 198 HE2 PHE 24 HE2 PHE 24 2.144 -18.966 4.839 199 HZ PHE 24 HZ PHE 24 4.121 -17.393 4.386 200 H TYR 25 H TYR 25 -0.163 -18.792 -0.506 201 HA TYR 25 HA TYR 25 2.625 -18.676 -1.105 202 HB2 TYR 25 HB2 TYR 25 0.473 -20.547 -1.716 203 HB3 TYR 25 HB3 TYR 25 1.793 -20.503 -2.881 204 HD1 TYR 25 HD2 TYR 25 2.201 -20.094 0.854 205 HD2 TYR 25 HD1 TYR 25 2.704 -22.623 -2.599 206 HE1 TYR 25 HE2 TYR 25 3.566 -21.647 2.183 207 HE2 TYR 25 HE1 TYR 25 4.077 -24.210 -1.222 208 HH TYR 25 HH TYR 25 4.828 -24.755 1.006 209 H LYS 26 H LYS 26 -0.159 -17.785 -3.170 210 HA LYS 26 HA LYS 26 1.068 -17.003 -5.533 211 HB2 LYS 26 HB2 LYS 26 -1.236 -16.950 -5.383 212 HB3 LYS 26 HB3 LYS 26 -1.243 -15.995 -3.907 213 HG2 LYS 26 HG2 LYS 26 -0.516 -14.798 -6.595 214 HG3 LYS 26 HG3 LYS 26 -2.158 -14.917 -5.960 215 HD2 LYS 26 HD2 LYS 26 -0.989 -13.772 -3.798 216 HD3 LYS 26 HD3 LYS 26 0.073 -13.126 -5.043 217 HE2 LYS 26 HE2 LYS 26 -2.956 -12.890 -4.938 218 HE3 LYS 26 HE3 LYS 26 -1.808 -11.624 -4.500 219 HZ1 LYS 26 HZ3 LYS 26 -1.039 -11.588 -6.792 220 HZ2 LYS 26 HZ1 LYS 26 -2.057 -12.813 -7.208 221 HZ3 LYS 26 HZ2 LYS 26 -2.660 -11.347 -6.761 222 H THR 27 H THR 27 1.471 -15.244 -2.453 223 HA THR 27 HA THR 27 3.128 -13.199 -3.912 224 HB THR 27 HB THR 27 3.105 -12.050 -1.619 225 HG1 THR 27 HG1 THR 27 1.291 -12.535 -0.396 226 HG21 THR 27 HG23 THR 27 1.716 -11.347 -3.681 227 HG22 THR 27 HG21 THR 27 0.343 -12.132 -2.850 228 HG23 THR 27 HG22 THR 27 1.198 -10.782 -2.087 229 H LEU 28 H LEU 28 3.221 -15.498 -1.165 230 HA LEU 28 HA LEU 28 5.835 -15.101 -0.287 231 HB2 LEU 28 HB2 LEU 28 4.260 -16.589 0.823 232 HB3 LEU 28 HB3 LEU 28 4.228 -17.644 -0.578 233 HG LEU 28 HG LEU 28 6.903 -17.226 0.578 234 HD11 LEU 28 HD11 LEU 28 4.797 -18.723 2.154 235 HD12 LEU 28 HD12 LEU 28 6.550 -18.814 2.423 236 HD13 LEU 28 HD13 LEU 28 5.716 -17.274 2.663 237 HD21 LEU 28 HD23 LEU 28 5.284 -19.740 -0.110 238 HD22 LEU 28 HD21 LEU 28 6.440 -18.951 -1.195 239 HD23 LEU 28 HD22 LEU 28 7.004 -19.712 0.297 240 H ARG 29 H ARG 29 4.892 -17.063 -3.133 241 HA ARG 29 HA ARG 29 7.533 -17.777 -3.912 242 HB2 ARG 29 HB2 ARG 29 6.572 -18.408 -6.042 243 HB3 ARG 29 HB3 ARG 29 5.574 -18.906 -4.692 244 HG2 ARG 29 HG2 ARG 29 3.919 -18.123 -6.041 245 HG3 ARG 29 HG3 ARG 29 4.281 -16.646 -5.159 246 HD2 ARG 29 HD2 ARG 29 6.024 -16.507 -7.329 247 HD3 ARG 29 HD3 ARG 29 4.603 -17.283 -8.026 248 HE ARG 29 HE ARG 29 3.367 -15.317 -6.734 249 HH11 ARG 29 HH11 ARG 29 6.421 -14.903 -8.385 250 HH12 ARG 29 HH12 ARG 29 6.232 -13.173 -8.492 251 HH21 ARG 29 HH21 ARG 29 3.230 -13.226 -6.758 252 HH22 ARG 29 HH22 ARG 29 4.434 -12.203 -7.510 253 H ALA 30 H ALA 30 6.859 -14.655 -3.498 254 HA ALA 30 HA ALA 30 8.842 -13.856 -5.588 255 HB1 ALA 30 HB3 ALA 30 6.602 -12.762 -5.807 256 HB2 ALA 30 HB1 ALA 30 6.786 -12.109 -4.164 257 HB3 ALA 30 HB2 ALA 30 7.901 -11.607 -5.446 258 H GLU 31 H GLU 31 8.489 -14.312 -2.167 259 HA GLU 31 HA GLU 31 11.195 -13.103 -1.876 260 HB2 GLU 31 HB2 GLU 31 10.706 -11.989 0.132 261 HB3 GLU 31 HB3 GLU 31 9.525 -11.489 -1.077 262 HG2 GLU 31 HG2 GLU 31 7.929 -13.211 -0.051 263 HG3 GLU 31 HG3 GLU 31 9.090 -13.385 1.270 264 H GLN 32 H GLN 32 9.365 -15.860 -1.466 265 HA GLN 32 HA GLN 32 11.648 -17.170 -0.027 266 HB2 GLN 32 HB2 GLN 32 8.753 -18.047 -0.059 267 HB3 GLN 32 HB3 GLN 32 10.049 -18.843 0.801 268 HG2 GLN 32 HG2 GLN 32 9.075 -16.028 1.496 269 HG3 GLN 32 HG3 GLN 32 8.517 -17.497 2.277 270 HE21 GLN 32 HE22 GLN 32 11.355 -15.342 1.946 271 HE22 GLN 32 HE21 GLN 32 12.148 -16.077 3.340 272 H ALA 33 H ALA 33 10.100 -16.742 -2.898 273 HA ALA 33 HA ALA 33 9.703 -17.806 -4.846 274 HB1 ALA 33 HB3 ALA 33 11.987 -16.989 -4.845 275 HB2 ALA 33 HB1 ALA 33 12.569 -18.577 -4.269 276 HB3 ALA 33 HB2 ALA 33 11.820 -18.422 -5.875 277 H SER 34 H SER 34 9.070 -19.776 -2.534 278 HA SER 34 HA SER 34 9.384 -22.316 -4.066 279 HB2 SER 34 HB2 SER 34 9.264 -21.846 -1.065 280 HB3 SER 34 HB3 SER 34 9.501 -23.399 -1.890 281 HG SER 34 HG SER 34 11.242 -21.149 -1.804 282 H GLN 35 H GLN 35 7.690 -23.465 -4.572 283 HA GLN 35 HA GLN 35 5.021 -22.990 -3.292 284 HB2 GLN 35 HB2 GLN 35 5.247 -22.261 -5.648 285 HB3 GLN 35 HB3 GLN 35 5.734 -23.880 -6.125 286 HG2 GLN 35 HG2 GLN 35 3.110 -23.817 -4.733 287 HG3 GLN 35 HG3 GLN 35 3.165 -22.798 -6.160 288 HE21 GLN 35 HE22 GLN 35 3.832 -26.241 -5.151 289 HE22 GLN 35 HE21 GLN 35 3.410 -26.844 -6.759 290 H GLU 36 H GLU 36 7.497 -25.017 -3.140 291 HA GLU 36 HA GLU 36 6.289 -27.667 -3.646 292 HB2 GLU 36 HB2 GLU 36 8.523 -26.584 -4.533 293 HB3 GLU 36 HB3 GLU 36 9.121 -26.895 -2.909 294 HG2 GLU 36 HG2 GLU 36 8.369 -29.348 -3.369 295 HG3 GLU 36 HG3 GLU 36 8.275 -28.862 -5.071 296 H VAL 37 H VAL 37 7.248 -29.392 -2.196 297 HA VAL 37 HA VAL 37 6.660 -29.265 0.595 298 HB VAL 37 HB VAL 37 6.939 -31.296 -0.865 299 HG11 VAL 37 HG11 VAL 37 9.916 -31.044 -0.326 300 HG12 VAL 37 HG12 VAL 37 9.074 -32.411 -1.071 301 HG13 VAL 37 HG13 VAL 37 9.127 -30.863 -1.905 302 HG21 VAL 37 HG23 VAL 37 8.505 -31.329 1.748 303 HG22 VAL 37 HG21 VAL 37 6.739 -31.413 1.608 304 HG23 VAL 37 HG22 VAL 37 7.756 -32.713 0.951 305 H LYS 38 H LYS 38 9.517 -28.453 -1.259 306 HA LYS 38 HA LYS 38 11.160 -27.724 1.073 307 HB2 LYS 38 HB2 LYS 38 11.423 -27.013 -1.859 308 HB3 LYS 38 HB3 LYS 38 12.419 -26.240 -0.624 309 HG2 LYS 38 HG2 LYS 38 13.162 -28.471 0.199 310 HG3 LYS 38 HG3 LYS 38 12.362 -29.228 -1.166 311 HD2 LYS 38 HD2 LYS 38 14.660 -27.222 -1.215 312 HD3 LYS 38 HD3 LYS 38 14.759 -28.933 -1.612 313 HE2 LYS 38 HE2 LYS 38 13.182 -26.845 -3.180 314 HE3 LYS 38 HE3 LYS 38 14.799 -27.406 -3.616 315 HZ1 LYS 38 HZ3 LYS 38 13.891 -29.578 -4.110 316 HZ2 LYS 38 HZ1 LYS 38 12.468 -29.210 -3.341 317 HZ3 LYS 38 HZ2 LYS 38 12.729 -28.526 -4.700 318 H ASN 39 H ASN 39 9.039 -26.906 1.982 319 HA ASN 39 HA ASN 39 8.530 -24.036 1.821 320 HB2 ASN 39 HB2 ASN 39 6.819 -25.699 2.414 321 HB3 ASN 39 HB3 ASN 39 7.825 -26.323 3.714 322 HD21 ASN 39 HD22 ASN 39 5.121 -24.322 3.147 323 HD22 ASN 39 HD21 ASN 39 5.184 -23.638 4.758 324 H ALA 40 H ALA 40 8.983 -22.799 4.091 325 HA ALA 40 HA ALA 40 11.807 -23.234 4.880 326 HB1 ALA 40 HB3 ALA 40 11.839 -21.965 2.749 327 HB2 ALA 40 HB1 ALA 40 10.809 -20.718 3.485 328 HB3 ALA 40 HB2 ALA 40 12.455 -20.994 4.096 329 H MET 41 H MET 41 12.441 -21.011 6.249 330 HA MET 41 HA MET 41 10.612 -21.233 8.560 331 HB2 MET 41 HB2 MET 41 13.472 -20.288 8.283 332 HB3 MET 41 HB3 MET 41 12.532 -20.125 9.781 333 HG2 MET 41 HG2 MET 41 12.090 -22.515 9.846 334 HG3 MET 41 HG3 MET 41 12.957 -22.765 8.330 335 HE1 MET 41 HE3 MET 41 13.267 -24.180 11.301 336 HE2 MET 41 HE1 MET 41 14.041 -24.773 9.813 337 HE3 MET 41 HE2 MET 41 15.018 -24.482 11.271 338 H THR 42 H THR 42 8.997 -20.011 7.386 339 HA THR 42 HA THR 42 8.947 -17.165 8.253 340 HB THR 42 HB THR 42 7.507 -16.871 5.992 341 HG1 THR 42 HG1 THR 42 9.410 -18.259 4.705 342 HG21 THR 42 HG23 THR 42 9.517 -15.601 6.686 343 HG22 THR 42 HG21 THR 42 10.541 -16.899 6.030 344 HG23 THR 42 HG22 THR 42 9.480 -15.934 4.955 345 H GLU 43 H GLU 43 6.531 -16.342 7.817 346 HA GLU 43 HA GLU 43 4.564 -17.908 9.203 347 HB2 GLU 43 HB2 GLU 43 3.002 -16.248 8.078 348 HB3 GLU 43 HB3 GLU 43 4.247 -15.577 9.103 349 HG2 GLU 43 HG2 GLU 43 5.018 -15.921 6.237 350 HG3 GLU 43 HG3 GLU 43 3.644 -14.824 6.496 351 H THR 44 H THR 44 5.789 -18.714 6.444 352 HA THR 44 HA THR 44 3.920 -19.799 4.671 353 HB THR 44 HB THR 44 6.292 -19.545 4.447 354 HG1 THR 44 HG1 THR 44 5.708 -22.142 3.747 355 HG21 THR 44 HG23 THR 44 7.313 -20.506 6.296 356 HG22 THR 44 HG21 THR 44 6.484 -22.046 6.133 357 HG23 THR 44 HG22 THR 44 7.697 -21.536 4.929 358 H LEU 45 H LEU 45 2.575 -20.187 7.119 359 HA LEU 45 HA LEU 45 2.680 -22.724 8.294 360 HB2 LEU 45 HB2 LEU 45 0.127 -21.910 8.895 361 HB3 LEU 45 HB3 LEU 45 1.597 -21.563 9.747 362 HG LEU 45 HG LEU 45 1.729 -19.379 8.816 363 HD11 LEU 45 HD11 LEU 45 -0.937 -19.903 7.360 364 HD12 LEU 45 HD12 LEU 45 -0.120 -18.345 7.466 365 HD13 LEU 45 HD13 LEU 45 0.607 -19.616 6.537 366 HD21 LEU 45 HD23 LEU 45 -0.996 -19.986 9.832 367 HD22 LEU 45 HD21 LEU 45 0.469 -19.800 10.818 368 HD23 LEU 45 HD22 LEU 45 -0.154 -18.406 9.921 369 H LEU 46 H LEU 46 2.175 -22.928 5.281 370 HA LEU 46 HA LEU 46 0.637 -25.285 5.195 371 HB2 LEU 46 HB2 LEU 46 -1.316 -24.363 3.796 372 HB3 LEU 46 HB3 LEU 46 -1.375 -24.277 5.506 373 HG LEU 46 HG LEU 46 -2.065 -22.318 3.829 374 HD11 LEU 46 HD11 LEU 46 -1.360 -22.081 6.727 375 HD12 LEU 46 HD12 LEU 46 -2.317 -20.919 5.802 376 HD13 LEU 46 HD13 LEU 46 -2.904 -22.557 6.017 377 HD21 LEU 46 HD23 LEU 46 0.341 -21.053 5.048 378 HD22 LEU 46 HD21 LEU 46 0.453 -21.773 3.453 379 HD23 LEU 46 HD22 LEU 46 -0.757 -20.519 3.748 380 H VAL 47 H VAL 47 -0.069 -25.708 2.718 381 HA VAL 47 HA VAL 47 2.004 -24.678 0.897 382 HB VAL 47 HB VAL 47 1.422 -27.633 0.961 383 HG11 VAL 47 HG11 VAL 47 4.008 -26.153 0.463 384 HG12 VAL 47 HG12 VAL 47 3.629 -27.821 0.080 385 HG13 VAL 47 HG13 VAL 47 2.826 -26.492 -0.801 386 HG21 VAL 47 HG23 VAL 47 3.429 -26.365 2.834 387 HG22 VAL 47 HG21 VAL 47 1.986 -27.307 3.312 388 HG23 VAL 47 HG22 VAL 47 3.313 -28.095 2.459 389 H GLN 48 H GLN 48 1.073 -24.159 -1.086 390 HA GLN 48 HA GLN 48 -1.426 -24.996 -2.059 391 HB2 GLN 48 HB2 GLN 48 1.135 -24.268 -3.525 392 HB3 GLN 48 HB3 GLN 48 -0.366 -24.695 -4.371 393 HG2 GLN 48 HG2 GLN 48 -1.587 -22.944 -3.149 394 HG3 GLN 48 HG3 GLN 48 -0.127 -22.522 -2.292 395 HE21 GLN 48 HE22 GLN 48 0.478 -23.118 -5.754 396 HE22 GLN 48 HE21 GLN 48 0.496 -21.397 -6.107 397 H ASN 49 H ASN 49 1.749 -26.538 -2.561 398 HA ASN 49 HA ASN 49 1.117 -28.882 -3.872 399 HB2 ASN 49 HB2 ASN 49 3.378 -27.717 -2.774 400 HB3 ASN 49 HB3 ASN 49 3.173 -29.102 -1.721 401 HD21 ASN 49 HD22 ASN 49 2.697 -31.132 -2.998 402 HD22 ASN 49 HD21 ASN 49 3.821 -31.387 -4.351 403 H ALA 50 H ALA 50 -0.171 -28.251 -0.752 404 HA ALA 50 HA ALA 50 -0.092 -31.027 0.199 405 HB1 ALA 50 HB3 ALA 50 -0.119 -29.094 1.781 406 HB2 ALA 50 HB1 ALA 50 -1.712 -28.620 1.169 407 HB3 ALA 50 HB2 ALA 50 -1.503 -30.162 2.025 408 H ASN 51 H ASN 51 -2.139 -32.153 0.743 409 HA ASN 51 HA ASN 51 -3.986 -32.107 -1.572 410 HB2 ASN 51 HB2 ASN 51 -4.017 -34.649 -0.316 411 HB3 ASN 51 HB3 ASN 51 -3.407 -34.236 -1.887 412 HD21 ASN 51 HD22 ASN 51 -2.500 -35.277 1.280 413 HD22 ASN 51 HD21 ASN 51 -0.781 -35.330 0.788 414 HA PRO 52 HA PRO 52 -7.470 -31.133 0.601 415 HB2 PRO 52 HB2 PRO 52 -9.443 -33.036 0.183 416 HB3 PRO 52 HB3 PRO 52 -8.870 -31.861 -1.037 417 HG2 PRO 52 HG2 PRO 52 -8.000 -34.738 -0.665 418 HG3 PRO 52 HG3 PRO 52 -8.448 -33.900 -2.187 419 HD2 PRO 52 HD2 PRO 52 -5.878 -34.245 -1.474 420 HD3 PRO 52 HD3 PRO 52 -6.397 -32.710 -2.234 421 H ASP 53 H ASP 53 -6.547 -34.440 1.431 422 HA ASP 53 HA ASP 53 -7.733 -34.760 3.978 423 HB2 ASP 53 HB2 ASP 53 -5.607 -36.206 4.322 424 HB3 ASP 53 HB3 ASP 53 -6.741 -36.644 3.044 425 H CYS 54 H CYS 54 -4.219 -34.002 3.693 426 HA CYS 54 HA CYS 54 -3.946 -33.136 6.307 427 HB2 CYS 54 HB2 CYS 54 -2.300 -32.353 3.886 428 HB3 CYS 54 HB3 CYS 54 -1.791 -32.119 5.574 429 HG CYS 54 HG CYS 54 -2.637 -34.975 4.055 430 H LYS 55 H LYS 55 -4.716 -31.096 3.494 431 HA LYS 55 HA LYS 55 -4.764 -28.552 4.806 432 HB2 LYS 55 HB2 LYS 55 -6.338 -29.870 2.582 433 HB3 LYS 55 HB3 LYS 55 -6.598 -28.189 3.031 434 HG2 LYS 55 HG2 LYS 55 -4.471 -27.468 2.282 435 HG3 LYS 55 HG3 LYS 55 -3.784 -29.082 2.360 436 HD2 LYS 55 HD2 LYS 55 -4.342 -29.582 0.244 437 HD3 LYS 55 HD3 LYS 55 -5.975 -28.999 0.427 438 HE2 LYS 55 HE2 LYS 55 -5.300 -27.581 -1.195 439 HE3 LYS 55 HE3 LYS 55 -4.887 -26.585 0.200 440 HZ1 LYS 55 HZ3 LYS 55 -2.543 -27.227 -0.132 441 HZ2 LYS 55 HZ1 LYS 55 -2.974 -28.356 -1.249 442 HZ3 LYS 55 HZ2 LYS 55 -3.137 -26.800 -1.593 443 H THR 56 H THR 56 -7.436 -30.950 4.609 444 HA THR 56 HA THR 56 -9.121 -29.163 6.174 445 HB THR 56 HB THR 56 -9.749 -32.000 5.343 446 HG1 THR 56 HG1 THR 56 -9.429 -31.141 3.503 447 HG21 THR 56 HG23 THR 56 -11.379 -31.029 6.926 448 HG22 THR 56 HG21 THR 56 -11.487 -29.551 5.941 449 HG23 THR 56 HG22 THR 56 -12.077 -31.105 5.305 450 H ILE 57 H ILE 57 -6.827 -31.582 6.811 451 HA ILE 57 HA ILE 57 -7.748 -32.345 9.504 452 HB ILE 57 HB ILE 57 -5.323 -32.812 7.815 453 HG12 ILE 57 HG12 ILE 57 -7.141 -34.805 9.213 454 HG13 ILE 57 HG13 ILE 57 -7.535 -34.092 7.645 455 HG21 ILE 57 HG21 ILE 57 -5.405 -33.637 10.727 456 HG22 ILE 57 HG22 ILE 57 -4.240 -34.212 9.508 457 HG23 ILE 57 HG23 ILE 57 -4.228 -32.538 9.956 458 HD11 ILE 57 HD13 ILE 57 -5.313 -34.881 6.786 459 HD12 ILE 57 HD11 ILE 57 -5.134 -35.828 8.275 460 HD13 ILE 57 HD12 ILE 57 -6.486 -36.161 7.170 461 H LEU 58 H LEU 58 -4.773 -30.473 8.485 462 HA LEU 58 HA LEU 58 -4.297 -29.359 11.036 463 HB2 LEU 58 HB2 LEU 58 -3.762 -28.195 8.263 464 HB3 LEU 58 HB3 LEU 58 -3.198 -27.530 9.792 465 HG LEU 58 HG LEU 58 -2.382 -30.118 10.103 466 HD11 LEU 58 HD11 LEU 58 -2.420 -29.600 7.153 467 HD12 LEU 58 HD12 LEU 58 -1.175 -30.670 7.900 468 HD13 LEU 58 HD13 LEU 58 -2.881 -31.040 8.105 469 HD21 LEU 58 HD23 LEU 58 -1.173 -27.561 9.213 470 HD22 LEU 58 HD21 LEU 58 -0.799 -28.593 10.565 471 HD23 LEU 58 HD22 LEU 58 -0.182 -28.979 8.925 472 H LYS 59 H LYS 59 -6.510 -28.335 8.509 473 HA LYS 59 HA LYS 59 -7.364 -25.905 9.572 474 HB2 LYS 59 HB2 LYS 59 -8.711 -28.092 8.160 475 HB3 LYS 59 HB3 LYS 59 -9.808 -27.037 9.024 476 HG2 LYS 59 HG2 LYS 59 -7.644 -25.793 7.302 477 HG3 LYS 59 HG3 LYS 59 -9.018 -26.561 6.555 478 HD2 LYS 59 HD2 LYS 59 -9.712 -24.341 6.735 479 HD3 LYS 59 HD3 LYS 59 -10.504 -25.041 8.128 480 HE2 LYS 59 HE2 LYS 59 -7.746 -23.739 8.363 481 HE3 LYS 59 HE3 LYS 59 -9.187 -22.744 8.268 482 HZ1 LYS 59 HZ3 LYS 59 -10.017 -23.629 10.258 483 HZ2 LYS 59 HZ1 LYS 59 -8.799 -24.706 10.413 484 HZ3 LYS 59 HZ2 LYS 59 -8.474 -23.099 10.490 485 H ALA 60 H ALA 60 -7.938 -28.994 11.068 486 HA ALA 60 HA ALA 60 -9.186 -27.649 13.447 487 HB1 ALA 60 HB3 ALA 60 -10.453 -29.554 12.528 488 HB2 ALA 60 HB1 ALA 60 -9.024 -30.599 12.697 489 HB3 ALA 60 HB2 ALA 60 -9.810 -29.928 14.141 490 H LEU 61 H LEU 61 -6.288 -29.295 12.304 491 HA LEU 61 HA LEU 61 -5.193 -29.477 15.032 492 HB2 LEU 61 HB2 LEU 61 -5.242 -31.284 12.864 493 HB3 LEU 61 HB3 LEU 61 -3.584 -30.748 12.953 494 HG LEU 61 HG LEU 61 -3.671 -31.262 15.471 495 HD11 LEU 61 HD11 LEU 61 -6.256 -32.676 14.653 496 HD12 LEU 61 HD12 LEU 61 -5.440 -32.821 16.224 497 HD13 LEU 61 HD13 LEU 61 -6.157 -31.282 15.742 498 HD21 LEU 61 HD23 LEU 61 -4.181 -33.558 13.533 499 HD22 LEU 61 HD21 LEU 61 -2.614 -32.818 13.913 500 HD23 LEU 61 HD22 LEU 61 -3.484 -33.720 15.163 501 H GLY 62 H GLY 62 -5.329 -27.051 14.610 502 HA2 GLY 62 HA2 GLY 62 -2.551 -26.077 14.000 503 HA3 GLY 62 HA3 GLY 62 -3.991 -25.064 14.017 504 HA PRO 63 HA PRO 63 -3.076 -25.770 18.673 505 HB2 PRO 63 HB2 PRO 63 -1.338 -27.606 19.618 506 HB3 PRO 63 HB3 PRO 63 -2.910 -28.118 18.944 507 HG2 PRO 63 HG2 PRO 63 -0.239 -28.001 17.483 508 HG3 PRO 63 HG3 PRO 63 -1.346 -29.407 17.631 509 HD2 PRO 63 HD2 PRO 63 -1.417 -27.713 15.483 510 HD3 PRO 63 HD3 PRO 63 -2.892 -28.473 16.165 511 H ALA 64 H ALA 64 -1.826 -24.093 16.854 512 HA ALA 64 HA ALA 64 -0.181 -22.689 16.320 513 HB1 ALA 64 HB3 ALA 64 -0.886 -21.874 18.523 514 HB2 ALA 64 HB1 ALA 64 0.420 -22.813 19.286 515 HB3 ALA 64 HB2 ALA 64 0.812 -21.486 18.176 516 H ALA 65 H ALA 65 1.153 -25.666 17.510 517 HA ALA 65 HA ALA 65 3.855 -24.897 16.417 518 HB1 ALA 65 HB3 ALA 65 3.757 -24.850 18.872 519 HB2 ALA 65 HB1 ALA 65 3.176 -26.531 18.903 520 HB3 ALA 65 HB2 ALA 65 4.804 -26.152 18.286 521 H THR 66 H THR 66 2.122 -28.033 17.307 522 HA THR 66 HA THR 66 3.764 -29.631 15.756 523 HB THR 66 HB THR 66 0.847 -30.347 15.739 524 HG1 THR 66 HG1 THR 66 1.456 -31.088 18.002 525 HG21 THR 66 HG23 THR 66 2.619 -31.947 14.997 526 HG22 THR 66 HG21 THR 66 3.367 -31.846 16.595 527 HG23 THR 66 HG22 THR 66 1.732 -32.539 16.407 528 H LEU 67 H LEU 67 1.515 -27.429 14.497 529 HA LEU 67 HA LEU 67 0.816 -28.352 11.948 530 HB2 LEU 67 HB2 LEU 67 0.209 -26.346 13.226 531 HB3 LEU 67 HB3 LEU 67 1.763 -25.626 12.863 532 HG LEU 67 HG LEU 67 -0.667 -25.983 11.050 533 HD11 LEU 67 HD11 LEU 67 1.401 -23.790 11.522 534 HD12 LEU 67 HD12 LEU 67 -0.100 -23.642 10.564 535 HD13 LEU 67 HD13 LEU 67 -0.187 -23.867 12.324 536 HD21 LEU 67 HD23 LEU 67 2.168 -25.694 10.051 537 HD22 LEU 67 HD21 LEU 67 1.014 -27.035 9.770 538 HD23 LEU 67 HD22 LEU 67 0.679 -25.449 9.131 539 H GLU 68 H GLU 68 3.871 -26.731 12.983 540 HA GLU 68 HA GLU 68 5.125 -26.443 10.564 541 HB2 GLU 68 HB2 GLU 68 6.421 -27.427 13.173 542 HB3 GLU 68 HB3 GLU 68 7.298 -26.688 11.811 543 HG2 GLU 68 HG2 GLU 68 5.911 -24.640 12.119 544 HG3 GLU 68 HG3 GLU 68 5.135 -25.427 13.483 545 H GLU 69 H GLU 69 4.915 -29.503 12.282 546 HA GLU 69 HA GLU 69 6.417 -30.921 10.122 547 HB2 GLU 69 HB2 GLU 69 6.179 -32.907 11.301 548 HB3 GLU 69 HB3 GLU 69 6.419 -31.674 12.528 549 HG2 GLU 69 HG2 GLU 69 4.603 -32.384 13.607 550 HG3 GLU 69 HG3 GLU 69 3.602 -31.903 12.272 551 H MET 70 H MET 70 3.037 -30.362 10.982 552 HA MET 70 HA MET 70 1.892 -32.389 9.287 553 HB2 MET 70 HB2 MET 70 0.853 -29.916 10.498 554 HB3 MET 70 HB3 MET 70 -0.183 -31.188 9.781 555 HG2 MET 70 HG2 MET 70 1.600 -32.045 11.923 556 HG3 MET 70 HG3 MET 70 0.463 -30.747 12.358 557 HE1 MET 70 HE3 MET 70 0.696 -34.145 10.386 558 HE2 MET 70 HE1 MET 70 1.057 -34.498 12.085 559 HE3 MET 70 HE2 MET 70 -0.412 -35.160 11.340 560 H MET 71 H MET 71 2.745 -29.105 8.795 561 HA MET 71 HA MET 71 1.445 -28.515 6.284 562 HB2 MET 71 HB2 MET 71 2.245 -26.604 7.256 563 HB3 MET 71 HB3 MET 71 3.690 -27.354 7.901 564 HG2 MET 71 HG2 MET 71 3.482 -26.838 4.908 565 HG3 MET 71 HG3 MET 71 3.866 -25.551 5.988 566 HE1 MET 71 HE3 MET 71 6.075 -25.083 7.112 567 HE2 MET 71 HE1 MET 71 5.783 -26.454 8.199 568 HE3 MET 71 HE2 MET 71 7.349 -26.287 7.378 569 H THR 72 H THR 72 4.707 -29.830 7.039 570 HA THR 72 HA THR 72 5.329 -30.460 4.260 571 HB THR 72 HB THR 72 6.747 -32.139 5.993 572 HG1 THR 72 HG1 THR 72 6.829 -29.512 7.066 573 HG21 THR 72 HG23 THR 72 7.697 -30.998 4.009 574 HG22 THR 72 HG21 THR 72 7.576 -29.428 4.828 575 HG23 THR 72 HG22 THR 72 8.695 -30.675 5.434 576 H ALA 73 H ALA 73 4.155 -32.419 7.037 577 HA ALA 73 HA ALA 73 4.640 -34.909 6.078 578 HB1 ALA 73 HB3 ALA 73 3.754 -34.386 8.325 579 HB2 ALA 73 HB1 ALA 73 2.157 -34.047 7.624 580 HB3 ALA 73 HB2 ALA 73 2.834 -35.688 7.562 581 H CYS 74 H CYS 74 1.944 -32.904 5.063 582 HA CYS 74 HA CYS 74 0.363 -34.705 3.615 583 HB2 CYS 74 HB2 CYS 74 -0.455 -32.812 2.455 584 HB3 CYS 74 HB3 CYS 74 0.004 -32.232 4.077 585 HG CYS 74 HG CYS 74 2.166 -31.019 3.475 586 H GLN 75 H GLN 75 3.557 -33.670 2.727 587 HA GLN 75 HA GLN 75 3.799 -34.286 0.033 588 HB2 GLN 75 HB2 GLN 75 6.110 -34.465 0.547 589 HB3 GLN 75 HB3 GLN 75 5.422 -33.288 1.691 590 HG2 GLN 75 HG2 GLN 75 5.392 -35.094 3.444 591 HG3 GLN 75 HG3 GLN 75 6.174 -36.184 2.302 592 HE21 GLN 75 HE22 GLN 75 8.447 -35.985 1.939 593 HE22 GLN 75 HE21 GLN 75 9.359 -34.764 2.845 594 H GLY 76 H GLY 76 3.294 -36.569 2.610 595 HA2 GLY 76 HA2 GLY 76 3.145 -38.910 0.955 596 HA3 GLY 76 HA3 GLY 76 4.763 -38.776 1.649 597 H VAL 77 H VAL 77 2.431 -37.469 3.754 598 HA VAL 77 HA VAL 77 2.676 -39.072 5.899 599 HB VAL 77 HB VAL 77 1.301 -36.978 5.744 600 HG11 VAL 77 HG11 VAL 77 -1.003 -38.799 4.972 601 HG12 VAL 77 HG12 VAL 77 -1.082 -37.088 5.365 602 HG13 VAL 77 HG13 VAL 77 -0.226 -37.600 3.904 603 HG21 VAL 77 HG23 VAL 77 -0.044 -39.189 7.308 604 HG22 VAL 77 HG21 VAL 77 1.414 -38.305 7.808 605 HG23 VAL 77 HG22 VAL 77 -0.119 -37.439 7.610 606 H GLY 78 H GLY 78 0.637 -40.032 3.170 607 HA2 GLY 78 HA2 GLY 78 0.689 -42.763 3.549 608 HA3 GLY 78 HA3 GLY 78 -0.707 -42.216 4.491 609 H GLY 79 H GLY 79 -1.777 -43.676 2.790 610 HA2 GLY 79 HA2 GLY 79 -2.241 -42.571 0.126 611 HA3 GLY 79 HA3 GLY 79 -3.195 -43.832 0.923 612 HA PRO 80 HA PRO 80 -4.610 -39.254 1.774 613 HB2 PRO 80 HB2 PRO 80 -5.956 -38.271 -0.428 614 HB3 PRO 80 HB3 PRO 80 -4.198 -38.104 -0.148 615 HG2 PRO 80 HG2 PRO 80 -5.617 -40.203 -1.810 616 HG3 PRO 80 HG3 PRO 80 -4.211 -39.187 -2.271 617 HD2 PRO 80 HD2 PRO 80 -3.862 -41.718 -1.374 618 HD3 PRO 80 HD3 PRO 80 -2.751 -40.414 -0.849 619 H GLY 81 H GLY 81 -6.427 -41.951 0.552 620 HA2 GLY 81 HA2 GLY 81 -8.488 -42.790 1.144 621 HA3 GLY 81 HA3 GLY 81 -8.452 -41.647 2.485 622 H HIS 82 H HIS 82 -8.478 -39.353 0.404 623 HA HIS 82 HA HIS 82 -11.121 -38.681 0.433 624 HB2 HIS 82 HB2 HIS 82 -10.647 -36.978 -1.168 625 HB3 HIS 82 HB3 HIS 82 -9.259 -37.169 -0.112 626 HD2 HIS 82 HD2 HIS 82 -8.375 -39.862 -2.188 627 HE1 HIS 82 HE1 HIS 82 -7.433 -36.590 -4.750 628 HE2 HIS 82 HE2 HIS 82 -7.078 -39.084 -4.337 629 H LYS 83 H LYS 83 -12.957 -38.843 -0.740 630 HA LYS 83 HA LYS 83 -13.098 -40.556 -3.145 631 HB2 LYS 83 HB2 LYS 83 -12.895 -41.853 -0.922 632 HB3 LYS 83 HB3 LYS 83 -14.500 -41.268 -0.526 633 HG2 LYS 83 HG2 LYS 83 -13.793 -42.940 -2.993 634 HG3 LYS 83 HG3 LYS 83 -14.259 -43.608 -1.431 635 HD2 LYS 83 HD2 LYS 83 -16.452 -42.271 -1.659 636 HD3 LYS 83 HD3 LYS 83 -16.006 -42.071 -3.372 637 HE2 LYS 83 HE2 LYS 83 -15.769 -44.564 -3.561 638 HE3 LYS 83 HE3 LYS 83 -16.258 -44.711 -1.869 639 HZ1 LYS 83 HZ3 LYS 83 -18.424 -43.558 -2.621 640 HZ2 LYS 83 HZ1 LYS 83 -17.968 -43.872 -4.154 641 HZ3 LYS 83 HZ2 LYS 83 -18.196 -45.073 -3.190 642 H ALA 84 H ALA 84 -14.915 -40.074 -4.356 643 HA ALA 84 HA ALA 84 -16.333 -37.660 -3.944 644 HB1 ALA 84 HB3 ALA 84 -16.009 -38.712 -6.144 645 HB2 ALA 84 HB1 ALA 84 -17.028 -40.087 -5.660 646 HB3 ALA 84 HB2 ALA 84 -17.737 -38.466 -5.832 647 H ARG 85 H ARG 85 -18.422 -37.186 -3.267 648 HA ARG 85 HA ARG 85 -19.424 -38.753 -1.073 649 HB2 ARG 85 HB2 ARG 85 -19.264 -36.238 -1.202 650 HB3 ARG 85 HB3 ARG 85 -20.634 -36.239 -2.307 651 HG2 ARG 85 HG2 ARG 85 -21.251 -37.823 0.083 652 HG3 ARG 85 HG3 ARG 85 -20.619 -36.258 0.571 653 HD2 ARG 85 HD2 ARG 85 -22.342 -35.056 -0.515 654 HD3 ARG 85 HD3 ARG 85 -22.816 -36.417 -1.521 655 HE ARG 85 HE ARG 85 -23.609 -35.909 1.250 656 HH11 ARG 85 HH11 ARG 85 -23.422 -38.400 -1.226 657 HH12 ARG 85 HH12 ARG 85 -24.603 -39.402 -0.445 658 HH21 ARG 85 HH21 ARG 85 -25.164 -37.246 2.182 659 HH22 ARG 85 HH22 ARG 85 -25.586 -38.741 1.406 660 H VAL 86 H VAL 86 -19.692 -40.500 -2.984 661 HA VAL 86 HA VAL 86 -22.569 -40.991 -3.393 662 HB VAL 86 HB VAL 86 -21.747 -39.674 -5.336 663 HG11 VAL 86 HG11 VAL 86 -20.034 -42.087 -6.025 664 HG12 VAL 86 HG12 VAL 86 -20.273 -40.632 -7.005 665 HG13 VAL 86 HG13 VAL 86 -19.423 -40.523 -5.455 666 HG21 VAL 86 HG23 VAL 86 -22.472 -42.440 -6.302 667 HG22 VAL 86 HG21 VAL 86 -23.643 -41.329 -5.534 668 HG23 VAL 86 HG22 VAL 86 -22.815 -40.877 -7.031 669 H LEU 87 H LEU 87 -22.600 -43.322 -4.634 670 HA LEU 87 HA LEU 87 -21.412 -45.258 -2.891 671 HB2 LEU 87 HB2 LEU 87 -22.275 -46.910 -4.503 672 HB3 LEU 87 HB3 LEU 87 -23.466 -45.798 -3.864 673 HG LEU 87 HG LEU 87 -23.485 -44.555 -6.015 674 HD11 LEU 87 HD11 LEU 87 -21.624 -46.784 -6.948 675 HD12 LEU 87 HD12 LEU 87 -22.517 -45.690 -8.033 676 HD13 LEU 87 HD13 LEU 87 -21.288 -45.042 -6.950 677 HD21 LEU 87 HD23 LEU 87 -23.963 -47.552 -6.229 678 HD22 LEU 87 HD21 LEU 87 -25.086 -46.360 -5.534 679 HD23 LEU 87 HD22 LEU 87 -24.690 -46.299 -7.260 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -1.502 -2.849 -10.848 2 H2 MET 1 H2 MET 1 -2.715 -3.297 -9.856 3 H3 MET 1 H3 MET 1 -2.315 -4.262 -11.143 4 HA MET 1 HA MET 1 -1.464 -5.144 -9.020 5 HB2 MET 1 HB2 MET 1 -0.336 -5.724 -11.082 6 HB3 MET 1 HB3 MET 1 0.558 -4.206 -11.105 7 HG2 MET 1 HG2 MET 1 0.873 -6.174 -8.816 8 HG3 MET 1 HG3 MET 1 1.740 -6.388 -10.338 9 HE1 MET 1 HE3 MET 1 2.938 -5.975 -7.281 10 HE2 MET 1 HE1 MET 1 3.946 -6.428 -8.676 11 HE3 MET 1 HE2 MET 1 4.387 -5.030 -7.668 12 H SER 2 H SER 2 -0.012 -4.787 -7.195 13 HA SER 2 HA SER 2 1.443 -2.382 -6.906 14 HB2 SER 2 HB2 SER 2 -0.375 -1.101 -6.339 15 HB3 SER 2 HB3 SER 2 -1.230 -2.427 -5.536 16 HG SER 2 HG SER 2 -0.045 -0.667 -4.243 17 HA PRO 3 HA PRO 3 2.429 -5.026 -3.162 18 HB2 PRO 3 HB2 PRO 3 0.812 -6.897 -2.041 19 HB3 PRO 3 HB3 PRO 3 0.539 -5.146 -1.790 20 HG2 PRO 3 HG2 PRO 3 -0.800 -6.958 -3.832 21 HG3 PRO 3 HG3 PRO 3 -1.587 -5.854 -2.656 22 HD2 PRO 3 HD2 PRO 3 -1.101 -5.101 -5.233 23 HD3 PRO 3 HD3 PRO 3 -0.956 -3.949 -3.870 24 H THR 4 H THR 4 3.461 -7.038 -2.743 25 HA THR 4 HA THR 4 3.023 -9.339 -4.591 26 HB THR 4 HB THR 4 5.518 -9.712 -4.550 27 HG1 THR 4 HG1 THR 4 6.797 -8.113 -3.840 28 HG21 THR 4 HG23 THR 4 4.369 -8.701 -6.529 29 HG22 THR 4 HG21 THR 4 4.698 -7.087 -5.856 30 HG23 THR 4 HG22 THR 4 6.043 -8.149 -6.327 31 H SER 5 H SER 5 4.143 -8.225 -1.375 32 HA SER 5 HA SER 5 4.964 -10.625 -0.332 33 HB2 SER 5 HB2 SER 5 3.477 -8.367 1.085 34 HB3 SER 5 HB3 SER 5 4.524 -9.566 1.873 35 HG SER 5 HG SER 5 6.257 -8.798 0.812 36 H ILE 6 H ILE 6 4.084 -12.145 1.197 37 HA ILE 6 HA ILE 6 1.429 -13.142 0.683 38 HB ILE 6 HB ILE 6 1.674 -14.683 2.363 39 HG12 ILE 6 HG12 ILE 6 3.501 -14.485 4.191 40 HG13 ILE 6 HG13 ILE 6 3.439 -12.763 3.925 41 HG21 ILE 6 HG21 ILE 6 4.573 -13.959 1.867 42 HG22 ILE 6 HG22 ILE 6 3.885 -15.577 2.114 43 HG23 ILE 6 HG23 ILE 6 3.513 -14.673 0.630 44 HD11 ILE 6 HD13 ILE 6 1.046 -12.749 4.723 45 HD12 ILE 6 HD11 ILE 6 1.070 -14.512 4.817 46 HD13 ILE 6 HD12 ILE 6 2.116 -13.581 5.882 47 H LEU 7 H LEU 7 2.644 -10.848 2.800 48 HA LEU 7 HA LEU 7 0.669 -10.413 4.738 49 HB2 LEU 7 HB2 LEU 7 2.602 -8.402 3.516 50 HB3 LEU 7 HB3 LEU 7 1.866 -8.280 5.109 51 HG LEU 7 HG LEU 7 3.854 -10.445 4.274 52 HD11 LEU 7 HD11 LEU 7 4.221 -7.965 5.999 53 HD12 LEU 7 HD12 LEU 7 5.429 -9.246 5.716 54 HD13 LEU 7 HD13 LEU 7 4.890 -8.235 4.371 55 HD21 LEU 7 HD23 LEU 7 2.787 -9.719 7.039 56 HD22 LEU 7 HD21 LEU 7 2.299 -11.151 6.110 57 HD23 LEU 7 HD22 LEU 7 3.972 -10.990 6.646 58 H ASP 8 H ASP 8 -0.114 -10.130 1.643 59 HA ASP 8 HA ASP 8 -1.462 -7.513 1.586 60 HB2 ASP 8 HB2 ASP 8 -2.222 -8.079 -0.554 61 HB3 ASP 8 HB3 ASP 8 -0.539 -8.589 -0.473 62 H ILE 9 H ILE 9 -2.238 -10.693 2.582 63 HA ILE 9 HA ILE 9 -4.926 -9.804 3.542 64 HB ILE 9 HB ILE 9 -5.768 -12.051 3.217 65 HG12 ILE 9 HG12 ILE 9 -3.347 -12.521 1.407 66 HG13 ILE 9 HG13 ILE 9 -3.572 -13.237 3.002 67 HG21 ILE 9 HG21 ILE 9 -4.948 -10.731 0.613 68 HG22 ILE 9 HG22 ILE 9 -6.383 -11.732 0.895 69 HG23 ILE 9 HG23 ILE 9 -6.242 -10.143 1.660 70 HD11 ILE 9 HD13 ILE 9 -5.808 -14.121 2.178 71 HD12 ILE 9 HD11 ILE 9 -5.239 -13.712 0.539 72 HD13 ILE 9 HD12 ILE 9 -4.327 -14.871 1.547 73 H ARG 10 H ARG 10 -5.391 -10.404 5.781 74 HA ARG 10 HA ARG 10 -3.437 -10.879 7.433 75 HB2 ARG 10 HB2 ARG 10 -6.161 -10.364 7.409 76 HB3 ARG 10 HB3 ARG 10 -6.146 -11.948 8.170 77 HG2 ARG 10 HG2 ARG 10 -4.483 -9.516 8.969 78 HG3 ARG 10 HG3 ARG 10 -5.984 -10.105 9.671 79 HD2 ARG 10 HD2 ARG 10 -4.667 -12.387 9.960 80 HD3 ARG 10 HD3 ARG 10 -3.246 -11.419 9.629 81 HE ARG 10 HE ARG 10 -3.339 -10.555 11.798 82 HH11 ARG 10 HH11 ARG 10 -6.382 -12.160 11.185 83 HH12 ARG 10 HH12 ARG 10 -6.911 -12.020 12.838 84 HH21 ARG 10 HH21 ARG 10 -4.090 -10.373 13.904 85 HH22 ARG 10 HH22 ARG 10 -5.630 -11.052 14.329 86 H GLN 11 H GLN 11 -2.028 -12.397 7.435 87 HA GLN 11 HA GLN 11 -2.563 -15.210 7.292 88 HB2 GLN 11 HB2 GLN 11 -0.420 -15.324 7.010 89 HB3 GLN 11 HB3 GLN 11 -0.300 -13.599 7.178 90 HG2 GLN 11 HG2 GLN 11 0.207 -13.829 9.589 91 HG3 GLN 11 HG3 GLN 11 0.053 -15.590 9.463 92 HE21 GLN 11 HE22 GLN 11 2.479 -13.378 9.733 93 HE22 GLN 11 HE21 GLN 11 3.626 -14.144 8.629 94 H GLY 12 H GLY 12 -3.384 -16.437 8.642 95 HA2 GLY 12 HA2 GLY 12 -2.820 -17.021 11.217 96 HA3 GLY 12 HA3 GLY 12 -4.119 -15.798 11.407 97 HA PRO 13 HA PRO 13 -6.186 -19.362 8.873 98 HB2 PRO 13 HB2 PRO 13 -4.729 -21.264 7.627 99 HB3 PRO 13 HB3 PRO 13 -4.568 -19.543 7.172 100 HG2 PRO 13 HG2 PRO 13 -2.809 -20.983 9.213 101 HG3 PRO 13 HG3 PRO 13 -2.293 -20.183 7.675 102 HD2 PRO 13 HD2 PRO 13 -2.284 -18.870 9.985 103 HD3 PRO 13 HD3 PRO 13 -2.818 -18.119 8.434 104 H LYS 14 H LYS 14 -5.655 -19.583 11.660 105 HA LYS 14 HA LYS 14 -4.982 -22.144 12.621 106 HB2 LYS 14 HB2 LYS 14 -5.573 -19.831 13.760 107 HB3 LYS 14 HB3 LYS 14 -7.001 -20.751 14.222 108 HG2 LYS 14 HG2 LYS 14 -4.061 -21.391 14.759 109 HG3 LYS 14 HG3 LYS 14 -5.210 -20.793 15.940 110 HD2 LYS 14 HD2 LYS 14 -5.282 -23.548 14.644 111 HD3 LYS 14 HD3 LYS 14 -4.648 -23.186 16.237 112 HE2 LYS 14 HE2 LYS 14 -6.709 -22.939 17.225 113 HE3 LYS 14 HE3 LYS 14 -7.428 -22.240 15.768 114 HZ1 LYS 14 HZ3 LYS 14 -7.556 -24.383 14.767 115 HZ2 LYS 14 HZ1 LYS 14 -6.893 -25.159 16.021 116 HZ3 LYS 14 HZ2 LYS 14 -8.369 -24.441 16.162 117 H GLU 15 H GLU 15 -7.295 -22.023 10.511 118 HA GLU 15 HA GLU 15 -8.666 -24.458 11.334 119 HB2 GLU 15 HB2 GLU 15 -10.092 -21.805 11.217 120 HB3 GLU 15 HB3 GLU 15 -10.910 -23.185 10.512 121 HG2 GLU 15 HG2 GLU 15 -9.879 -23.099 13.390 122 HG3 GLU 15 HG3 GLU 15 -11.500 -22.642 12.899 123 HA PRO 16 HA PRO 16 -9.341 -23.759 6.672 124 HB2 PRO 16 HB2 PRO 16 -8.762 -21.377 5.394 125 HB3 PRO 16 HB3 PRO 16 -10.300 -21.693 6.257 126 HG2 PRO 16 HG2 PRO 16 -7.813 -20.286 7.281 127 HG3 PRO 16 HG3 PRO 16 -9.513 -19.715 7.343 128 HD2 PRO 16 HD2 PRO 16 -8.361 -20.928 9.453 129 HD3 PRO 16 HD3 PRO 16 -10.069 -21.244 9.030 130 H PHE 17 H PHE 17 -7.443 -25.279 6.850 131 HA PHE 17 HA PHE 17 -4.809 -24.229 6.257 132 HB2 PHE 17 HB2 PHE 17 -5.797 -26.944 6.475 133 HB3 PHE 17 HB3 PHE 17 -4.930 -26.794 5.009 134 HD1 PHE 17 HD1 PHE 17 -4.055 -25.019 8.226 135 HD2 PHE 17 HD2 PHE 17 -3.004 -28.136 5.409 136 HE1 PHE 17 HE1 PHE 17 -1.757 -25.151 9.178 137 HE2 PHE 17 HE2 PHE 17 -0.742 -28.268 6.423 138 HZ PHE 17 HZ PHE 17 -0.104 -26.709 8.264 139 H ARG 18 H ARG 18 -7.231 -25.783 3.825 140 HA ARG 18 HA ARG 18 -5.335 -24.898 1.864 141 HB2 ARG 18 HB2 ARG 18 -6.451 -26.164 0.324 142 HB3 ARG 18 HB3 ARG 18 -6.799 -27.026 1.813 143 HG2 ARG 18 HG2 ARG 18 -8.867 -26.915 0.598 144 HG3 ARG 18 HG3 ARG 18 -8.946 -25.765 1.975 145 HD2 ARG 18 HD2 ARG 18 -9.252 -24.037 0.480 146 HD3 ARG 18 HD3 ARG 18 -7.725 -24.410 -0.246 147 HE ARG 18 HE ARG 18 -8.614 -25.079 -2.059 148 HH11 ARG 18 HH11 ARG 18 -11.275 -24.588 0.205 149 HH12 ARG 18 HH12 ARG 18 -12.402 -24.396 -1.076 150 HH21 ARG 18 HH21 ARG 18 -9.988 -24.494 -3.520 151 HH22 ARG 18 HH22 ARG 18 -11.700 -24.346 -3.186 152 H ASP 19 H ASP 19 -8.450 -23.826 3.108 153 HA ASP 19 HA ASP 19 -8.807 -21.816 1.160 154 HB2 ASP 19 HB2 ASP 19 -10.187 -22.483 3.742 155 HB3 ASP 19 HB3 ASP 19 -10.585 -20.974 2.888 156 H TYR 20 H TYR 20 -6.460 -21.777 3.366 157 HA TYR 20 HA TYR 20 -6.044 -18.910 2.722 158 HB2 TYR 20 HB2 TYR 20 -6.323 -19.285 5.188 159 HB3 TYR 20 HB3 TYR 20 -4.838 -20.240 5.117 160 HD1 TYR 20 HD1 TYR 20 -6.275 -16.844 4.337 161 HD2 TYR 20 HD2 TYR 20 -2.694 -19.095 5.156 162 HE1 TYR 20 HE1 TYR 20 -4.953 -14.744 4.392 163 HE2 TYR 20 HE2 TYR 20 -1.395 -17.003 5.229 164 HH TYR 20 HH TYR 20 -2.732 -13.777 4.612 165 H VAL 21 H VAL 21 -4.635 -22.235 2.793 166 HA VAL 21 HA VAL 21 -2.060 -21.651 1.906 167 HB VAL 21 HB VAL 21 -3.267 -23.978 2.352 168 HG11 VAL 21 HG11 VAL 21 -2.959 -24.309 -0.634 169 HG12 VAL 21 HG12 VAL 21 -3.504 -25.476 0.610 170 HG13 VAL 21 HG13 VAL 21 -4.521 -24.121 0.135 171 HG21 VAL 21 HG23 VAL 21 -0.992 -24.110 0.434 172 HG22 VAL 21 HG21 VAL 21 -0.786 -23.407 2.033 173 HG23 VAL 21 HG22 VAL 21 -1.422 -25.035 1.913 174 H ASP 22 H ASP 22 -4.904 -22.102 -0.164 175 HA ASP 22 HA ASP 22 -3.900 -21.671 -2.683 176 HB2 ASP 22 HB2 ASP 22 -6.382 -20.842 -1.184 177 HB3 ASP 22 HB3 ASP 22 -6.264 -20.660 -2.905 178 H ARG 23 H ARG 23 -5.105 -19.384 -0.421 179 HA ARG 23 HA ARG 23 -4.676 -16.976 -1.966 180 HB2 ARG 23 HB2 ARG 23 -5.356 -16.788 0.963 181 HB3 ARG 23 HB3 ARG 23 -6.129 -16.025 -0.405 182 HG2 ARG 23 HG2 ARG 23 -6.488 -18.894 0.588 183 HG3 ARG 23 HG3 ARG 23 -7.476 -17.494 0.974 184 HD2 ARG 23 HD2 ARG 23 -7.599 -17.352 -1.693 185 HD3 ARG 23 HD3 ARG 23 -7.357 -19.084 -1.579 186 HE ARG 23 HE ARG 23 -9.328 -17.629 0.071 187 HH11 ARG 23 HH11 ARG 23 -8.744 -20.798 -1.628 188 HH12 ARG 23 HH12 ARG 23 -10.135 -21.400 -0.776 189 HH21 ARG 23 HH21 ARG 23 -11.101 -18.699 0.845 190 HH22 ARG 23 HH22 ARG 23 -11.323 -20.384 0.409 191 H PHE 24 H PHE 24 -2.861 -18.577 0.419 192 HA PHE 24 HA PHE 24 -1.004 -16.319 0.925 193 HB2 PHE 24 HB2 PHE 24 -1.543 -17.856 2.717 194 HB3 PHE 24 HB3 PHE 24 -1.089 -19.245 1.755 195 HD1 PHE 24 HD1 PHE 24 1.235 -19.828 1.343 196 HD2 PHE 24 HD2 PHE 24 0.199 -16.464 3.823 197 HE1 PHE 24 HE1 PHE 24 3.566 -19.699 2.130 198 HE2 PHE 24 HE2 PHE 24 2.511 -16.492 4.785 199 HZ PHE 24 HZ PHE 24 4.253 -17.961 3.767 200 H TYR 25 H TYR 25 -0.767 -19.587 -0.682 201 HA TYR 25 HA TYR 25 1.892 -19.119 -1.590 202 HB2 TYR 25 HB2 TYR 25 -0.188 -21.153 -2.242 203 HB3 TYR 25 HB3 TYR 25 1.156 -20.948 -3.336 204 HD1 TYR 25 HD1 TYR 25 0.394 -21.797 0.289 205 HD2 TYR 25 HD2 TYR 25 3.358 -21.699 -2.862 206 HE1 TYR 25 HE1 TYR 25 1.844 -23.256 1.599 207 HE2 TYR 25 HE2 TYR 25 4.820 -23.172 -1.457 208 HH TYR 25 HH TYR 25 3.921 -24.457 1.652 209 H LYS 26 H LYS 26 -1.184 -18.113 -3.079 210 HA LYS 26 HA LYS 26 -0.184 -17.361 -5.587 211 HB2 LYS 26 HB2 LYS 26 -2.246 -16.790 -5.977 212 HB3 LYS 26 HB3 LYS 26 -2.663 -17.139 -4.312 213 HG2 LYS 26 HG2 LYS 26 -1.816 -14.352 -5.258 214 HG3 LYS 26 HG3 LYS 26 -3.474 -14.938 -5.230 215 HD2 LYS 26 HD2 LYS 26 -3.452 -15.320 -2.905 216 HD3 LYS 26 HD3 LYS 26 -1.715 -15.014 -2.759 217 HE2 LYS 26 HE2 LYS 26 -2.210 -12.611 -3.484 218 HE3 LYS 26 HE3 LYS 26 -3.931 -13.009 -3.327 219 HZ1 LYS 26 HZ3 LYS 26 -3.265 -13.737 -0.957 220 HZ2 LYS 26 HZ1 LYS 26 -1.856 -12.954 -1.232 221 HZ3 LYS 26 HZ2 LYS 26 -3.161 -12.082 -1.262 222 H THR 27 H THR 27 0.577 -15.722 -2.595 223 HA THR 27 HA THR 27 2.081 -13.692 -4.186 224 HB THR 27 HB THR 27 2.016 -12.494 -1.793 225 HG1 THR 27 HG1 THR 27 -0.057 -12.499 -1.042 226 HG21 THR 27 HG23 THR 27 1.414 -11.518 -3.987 227 HG22 THR 27 HG21 THR 27 -0.155 -12.352 -3.928 228 HG23 THR 27 HG22 THR 27 0.239 -11.073 -2.747 229 H LEU 28 H LEU 28 2.457 -16.027 -1.460 230 HA LEU 28 HA LEU 28 5.158 -15.541 -0.909 231 HB2 LEU 28 HB2 LEU 28 3.884 -17.261 0.264 232 HB3 LEU 28 HB3 LEU 28 3.657 -18.131 -1.233 233 HG LEU 28 HG LEU 28 6.479 -17.979 -1.033 234 HD11 LEU 28 HD11 LEU 28 5.377 -18.624 1.690 235 HD12 LEU 28 HD12 LEU 28 7.046 -18.776 1.161 236 HD13 LEU 28 HD13 LEU 28 6.287 -17.173 1.282 237 HD21 LEU 28 HD23 LEU 28 4.590 -20.182 -0.223 238 HD22 LEU 28 HD21 LEU 28 5.130 -19.809 -1.886 239 HD23 LEU 28 HD22 LEU 28 6.299 -20.358 -0.661 240 H ARG 29 H ARG 29 3.940 -17.345 -3.780 241 HA ARG 29 HA ARG 29 6.521 -17.742 -4.986 242 HB2 ARG 29 HB2 ARG 29 5.324 -18.513 -6.922 243 HB3 ARG 29 HB3 ARG 29 4.627 -19.147 -5.446 244 HG2 ARG 29 HG2 ARG 29 2.679 -18.567 -6.428 245 HG3 ARG 29 HG3 ARG 29 3.037 -17.022 -5.669 246 HD2 ARG 29 HD2 ARG 29 4.295 -16.732 -8.119 247 HD3 ARG 29 HD3 ARG 29 2.919 -17.749 -8.542 248 HE ARG 29 HE ARG 29 1.686 -15.888 -7.028 249 HH11 ARG 29 HH11 ARG 29 4.133 -15.163 -9.426 250 HH12 ARG 29 HH12 ARG 29 3.526 -13.551 -9.661 251 HH21 ARG 29 HH21 ARG 29 1.087 -13.929 -7.213 252 HH22 ARG 29 HH22 ARG 29 1.812 -12.819 -8.353 253 H ALA 30 H ALA 30 5.580 -14.815 -4.302 254 HA ALA 30 HA ALA 30 7.152 -13.707 -6.550 255 HB1 ALA 30 HB3 ALA 30 4.738 -13.192 -6.943 256 HB2 ALA 30 HB1 ALA 30 4.645 -12.435 -5.334 257 HB3 ALA 30 HB2 ALA 30 5.669 -11.723 -6.595 258 H GLU 31 H GLU 31 7.155 -14.258 -3.253 259 HA GLU 31 HA GLU 31 8.952 -11.953 -2.732 260 HB2 GLU 31 HB2 GLU 31 6.876 -11.453 -1.719 261 HB3 GLU 31 HB3 GLU 31 6.605 -13.123 -1.196 262 HG2 GLU 31 HG2 GLU 31 8.267 -13.004 0.459 263 HG3 GLU 31 HG3 GLU 31 8.917 -11.476 -0.167 264 H GLN 32 H GLN 32 8.049 -14.854 -0.786 265 HA GLN 32 HA GLN 32 10.893 -15.432 -0.413 266 HB2 GLN 32 HB2 GLN 32 8.621 -17.231 0.422 267 HB3 GLN 32 HB3 GLN 32 10.220 -17.090 1.130 268 HG2 GLN 32 HG2 GLN 32 7.972 -15.042 1.380 269 HG3 GLN 32 HG3 GLN 32 8.465 -16.226 2.561 270 HE21 GLN 32 HE22 GLN 32 8.813 -14.446 4.115 271 HE22 GLN 32 HE21 GLN 32 10.210 -13.397 3.902 272 H ALA 33 H ALA 33 8.718 -16.318 -2.779 273 HA ALA 33 HA ALA 33 8.342 -17.991 -4.208 274 HB1 ALA 33 HB3 ALA 33 10.148 -16.731 -5.203 275 HB2 ALA 33 HB1 ALA 33 11.349 -17.813 -4.451 276 HB3 ALA 33 HB2 ALA 33 10.232 -18.433 -5.689 277 H SER 34 H SER 34 8.998 -19.068 -1.405 278 HA SER 34 HA SER 34 10.290 -21.558 -1.667 279 HB2 SER 34 HB2 SER 34 8.530 -20.448 0.543 280 HB3 SER 34 HB3 SER 34 9.595 -21.854 0.702 281 HG SER 34 HG SER 34 10.719 -19.437 -0.258 282 H GLN 35 H GLN 35 8.379 -21.805 -3.583 283 HA GLN 35 HA GLN 35 6.123 -23.501 -2.851 284 HB2 GLN 35 HB2 GLN 35 6.244 -21.895 -4.809 285 HB3 GLN 35 HB3 GLN 35 7.474 -22.936 -5.519 286 HG2 GLN 35 HG2 GLN 35 5.375 -24.727 -4.978 287 HG3 GLN 35 HG3 GLN 35 4.533 -23.235 -5.388 288 HE21 GLN 35 HE22 GLN 35 7.270 -25.283 -6.564 289 HE22 GLN 35 HE21 GLN 35 6.857 -25.027 -8.270 290 H GLU 36 H GLU 36 7.818 -24.767 -1.484 291 HA GLU 36 HA GLU 36 8.600 -27.272 -2.856 292 HB2 GLU 36 HB2 GLU 36 10.383 -25.344 -3.185 293 HB3 GLU 36 HB3 GLU 36 10.650 -25.516 -1.451 294 HG2 GLU 36 HG2 GLU 36 10.943 -28.063 -2.059 295 HG3 GLU 36 HG3 GLU 36 11.174 -27.464 -3.706 296 H VAL 37 H VAL 37 9.577 -28.800 -1.217 297 HA VAL 37 HA VAL 37 8.435 -28.917 1.396 298 HB VAL 37 HB VAL 37 10.901 -30.151 0.128 299 HG11 VAL 37 HG11 VAL 37 9.904 -30.692 2.954 300 HG12 VAL 37 HG12 VAL 37 11.054 -31.705 2.056 301 HG13 VAL 37 HG13 VAL 37 11.493 -30.049 2.485 302 HG21 VAL 37 HG23 VAL 37 8.225 -31.265 1.083 303 HG22 VAL 37 HG21 VAL 37 8.660 -30.916 -0.602 304 HG23 VAL 37 HG22 VAL 37 9.512 -32.193 0.278 305 H LYS 38 H LYS 38 11.240 -27.093 0.254 306 HA LYS 38 HA LYS 38 12.241 -26.251 2.831 307 HB2 LYS 38 HB2 LYS 38 12.287 -25.096 0.057 308 HB3 LYS 38 HB3 LYS 38 12.781 -24.075 1.407 309 HG2 LYS 38 HG2 LYS 38 14.486 -25.726 2.086 310 HG3 LYS 38 HG3 LYS 38 14.027 -26.758 0.736 311 HD2 LYS 38 HD2 LYS 38 14.448 -24.440 -0.643 312 HD3 LYS 38 HD3 LYS 38 15.447 -24.091 0.762 313 HE2 LYS 38 HE2 LYS 38 16.881 -25.037 -0.879 314 HE3 LYS 38 HE3 LYS 38 16.642 -26.314 0.332 315 HZ1 LYS 38 HZ3 LYS 38 14.904 -27.238 -1.160 316 HZ2 LYS 38 HZ1 LYS 38 15.037 -26.086 -2.184 317 HZ3 LYS 38 HZ2 LYS 38 16.321 -27.136 -2.013 318 H ASN 39 H ASN 39 9.054 -25.662 1.730 319 HA ASN 39 HA ASN 39 8.598 -23.104 2.822 320 HB2 ASN 39 HB2 ASN 39 6.479 -23.456 2.379 321 HB3 ASN 39 HB3 ASN 39 7.001 -24.893 1.542 322 HD21 ASN 39 HD22 ASN 39 4.660 -23.841 3.218 323 HD22 ASN 39 HD21 ASN 39 4.260 -25.264 4.161 324 H ALA 40 H ALA 40 9.355 -26.018 4.620 325 HA ALA 40 HA ALA 40 8.522 -25.075 7.218 326 HB1 ALA 40 HB3 ALA 40 8.887 -27.433 6.646 327 HB2 ALA 40 HB1 ALA 40 10.618 -27.110 6.356 328 HB3 ALA 40 HB2 ALA 40 9.929 -26.942 7.988 329 H MET 41 H MET 41 9.934 -22.985 5.786 330 HA MET 41 HA MET 41 12.066 -22.266 7.716 331 HB2 MET 41 HB2 MET 41 12.518 -22.180 4.699 332 HB3 MET 41 HB3 MET 41 13.667 -21.739 5.961 333 HG2 MET 41 HG2 MET 41 13.605 -24.102 6.779 334 HG3 MET 41 HG3 MET 41 12.610 -24.522 5.386 335 HE1 MET 41 HE3 MET 41 15.206 -26.033 6.177 336 HE2 MET 41 HE1 MET 41 14.197 -26.444 4.773 337 HE3 MET 41 HE2 MET 41 15.959 -26.273 4.582 338 H THR 42 H THR 42 9.251 -21.210 6.553 339 HA THR 42 HA THR 42 10.017 -18.328 6.286 340 HB THR 42 HB THR 42 7.944 -18.359 4.547 341 HG1 THR 42 HG1 THR 42 9.234 -20.774 3.995 342 HG21 THR 42 HG23 THR 42 10.185 -17.542 3.987 343 HG22 THR 42 HG21 THR 42 10.813 -19.203 3.886 344 HG23 THR 42 HG22 THR 42 9.606 -18.628 2.708 345 H GLU 43 H GLU 43 7.831 -16.989 6.284 346 HA GLU 43 HA GLU 43 6.393 -17.431 8.752 347 HB2 GLU 43 HB2 GLU 43 4.717 -15.788 7.726 348 HB3 GLU 43 HB3 GLU 43 6.351 -15.201 7.990 349 HG2 GLU 43 HG2 GLU 43 5.387 -16.235 5.303 350 HG3 GLU 43 HG3 GLU 43 5.112 -14.566 5.838 351 H THR 44 H THR 44 6.057 -18.907 5.700 352 HA THR 44 HA THR 44 3.548 -19.626 5.294 353 HB THR 44 HB THR 44 5.829 -21.632 5.211 354 HG1 THR 44 HG1 THR 44 6.698 -20.266 3.911 355 HG21 THR 44 HG23 THR 44 3.793 -22.657 4.587 356 HG22 THR 44 HG21 THR 44 3.190 -21.217 3.776 357 HG23 THR 44 HG22 THR 44 4.507 -22.132 3.028 358 H LEU 45 H LEU 45 2.037 -20.873 5.858 359 HA LEU 45 HA LEU 45 2.103 -22.001 8.574 360 HB2 LEU 45 HB2 LEU 45 -0.182 -20.734 7.070 361 HB3 LEU 45 HB3 LEU 45 -0.107 -20.989 8.795 362 HG LEU 45 HG LEU 45 1.826 -19.081 7.409 363 HD11 LEU 45 HD11 LEU 45 -0.705 -17.962 8.433 364 HD12 LEU 45 HD12 LEU 45 0.467 -17.366 7.264 365 HD13 LEU 45 HD13 LEU 45 -0.632 -18.619 6.751 366 HD21 LEU 45 HD23 LEU 45 0.576 -19.149 10.193 367 HD22 LEU 45 HD21 LEU 45 2.232 -19.655 9.754 368 HD23 LEU 45 HD22 LEU 45 1.768 -17.962 9.578 369 H LEU 46 H LEU 46 1.886 -23.228 5.548 370 HA LEU 46 HA LEU 46 0.373 -25.591 5.914 371 HB2 LEU 46 HB2 LEU 46 -1.557 -24.944 4.363 372 HB3 LEU 46 HB3 LEU 46 -1.621 -24.480 6.016 373 HG LEU 46 HG LEU 46 -2.140 -22.912 3.838 374 HD11 LEU 46 HD11 LEU 46 -1.803 -22.206 6.700 375 HD12 LEU 46 HD12 LEU 46 -2.521 -21.134 5.468 376 HD13 LEU 46 HD13 LEU 46 -3.258 -22.685 5.831 377 HD21 LEU 46 HD23 LEU 46 0.179 -21.428 5.035 378 HD22 LEU 46 HD21 LEU 46 0.348 -22.339 3.538 379 HD23 LEU 46 HD22 LEU 46 -0.811 -21.009 3.656 380 H VAL 47 H VAL 47 -0.259 -26.564 3.497 381 HA VAL 47 HA VAL 47 1.852 -25.825 1.559 382 HB VAL 47 HB VAL 47 1.407 -28.592 2.726 383 HG11 VAL 47 HG11 VAL 47 3.093 -27.803 0.305 384 HG12 VAL 47 HG12 VAL 47 3.203 -29.353 1.171 385 HG13 VAL 47 HG13 VAL 47 1.717 -28.941 0.335 386 HG21 VAL 47 HG23 VAL 47 3.869 -26.821 2.469 387 HG22 VAL 47 HG21 VAL 47 2.933 -27.108 3.967 388 HG23 VAL 47 HG22 VAL 47 3.829 -28.422 3.207 389 H GLN 48 H GLN 48 1.405 -26.147 -0.436 390 HA GLN 48 HA GLN 48 -1.145 -25.967 -1.571 391 HB2 GLN 48 HB2 GLN 48 1.495 -26.948 -2.724 392 HB3 GLN 48 HB3 GLN 48 0.077 -26.561 -3.708 393 HG2 GLN 48 HG2 GLN 48 0.127 -24.244 -3.068 394 HG3 GLN 48 HG3 GLN 48 1.298 -24.539 -1.794 395 HE21 GLN 48 HE22 GLN 48 0.950 -23.670 -5.088 396 HE22 GLN 48 HE21 GLN 48 2.670 -23.743 -5.482 397 H ASN 49 H ASN 49 -2.564 -27.528 -2.616 398 HA ASN 49 HA ASN 49 -3.778 -29.450 -2.598 399 HB2 ASN 49 HB2 ASN 49 -2.210 -29.593 -4.482 400 HB3 ASN 49 HB3 ASN 49 -1.038 -30.368 -3.448 401 HD21 ASN 49 HD22 ASN 49 -1.130 -32.600 -3.396 402 HD22 ASN 49 HD21 ASN 49 -2.432 -33.524 -4.143 403 H ALA 50 H ALA 50 -2.470 -28.973 0.159 404 HA ALA 50 HA ALA 50 -1.728 -31.241 1.415 405 HB1 ALA 50 HB3 ALA 50 -1.846 -29.180 2.590 406 HB2 ALA 50 HB1 ALA 50 -3.610 -29.080 2.413 407 HB3 ALA 50 HB2 ALA 50 -2.870 -30.316 3.468 408 H ASN 51 H ASN 51 -2.552 -32.872 2.608 409 HA ASN 51 HA ASN 51 -4.382 -34.513 1.141 410 HB2 ASN 51 HB2 ASN 51 -3.202 -36.243 2.305 411 HB3 ASN 51 HB3 ASN 51 -2.061 -35.022 1.967 412 HD21 ASN 51 HD22 ASN 51 -1.435 -36.788 3.832 413 HD22 ASN 51 HD21 ASN 51 -1.949 -36.405 5.446 414 HA PRO 52 HA PRO 52 -7.784 -34.708 4.023 415 HB2 PRO 52 HB2 PRO 52 -8.438 -37.239 4.691 416 HB3 PRO 52 HB3 PRO 52 -8.480 -36.654 3.001 417 HG2 PRO 52 HG2 PRO 52 -6.359 -38.328 4.343 418 HG3 PRO 52 HG3 PRO 52 -7.040 -38.491 2.698 419 HD2 PRO 52 HD2 PRO 52 -4.671 -37.200 3.380 420 HD3 PRO 52 HD3 PRO 52 -5.573 -36.900 1.858 421 H ASP 53 H ASP 53 -5.255 -36.850 5.616 422 HA ASP 53 HA ASP 53 -6.624 -36.580 8.158 423 HB2 ASP 53 HB2 ASP 53 -4.959 -38.009 9.042 424 HB3 ASP 53 HB3 ASP 53 -5.377 -38.630 7.443 425 H CYS 54 H CYS 54 -3.421 -35.291 6.935 426 HA CYS 54 HA CYS 54 -2.826 -34.095 9.396 427 HB2 CYS 54 HB2 CYS 54 -1.541 -34.175 6.895 428 HB3 CYS 54 HB3 CYS 54 -1.780 -32.443 7.264 429 HG CYS 54 HG CYS 54 0.521 -32.770 8.209 430 H LYS 55 H LYS 55 -4.588 -32.622 6.631 431 HA LYS 55 HA LYS 55 -5.174 -30.067 7.794 432 HB2 LYS 55 HB2 LYS 55 -6.414 -31.956 5.843 433 HB3 LYS 55 HB3 LYS 55 -7.503 -30.760 6.532 434 HG2 LYS 55 HG2 LYS 55 -6.494 -28.958 5.533 435 HG3 LYS 55 HG3 LYS 55 -4.877 -29.665 5.595 436 HD2 LYS 55 HD2 LYS 55 -5.701 -29.347 3.293 437 HD3 LYS 55 HD3 LYS 55 -5.238 -31.002 3.694 438 HE2 LYS 55 HE2 LYS 55 -7.715 -31.482 4.095 439 HE3 LYS 55 HE3 LYS 55 -8.079 -29.850 3.493 440 HZ1 LYS 55 HZ3 LYS 55 -6.866 -30.594 1.403 441 HZ2 LYS 55 HZ1 LYS 55 -6.712 -32.036 2.042 442 HZ3 LYS 55 HZ2 LYS 55 -8.235 -31.503 1.686 443 H THR 56 H THR 56 -6.973 -33.124 8.210 444 HA THR 56 HA THR 56 -8.894 -32.127 10.070 445 HB THR 56 HB THR 56 -7.912 -34.985 9.731 446 HG1 THR 56 HG1 THR 56 -8.542 -34.478 7.755 447 HG21 THR 56 HG23 THR 56 -9.457 -34.793 11.620 448 HG22 THR 56 HG21 THR 56 -10.595 -33.857 10.622 449 HG23 THR 56 HG22 THR 56 -10.268 -35.566 10.251 450 H ILE 57 H ILE 57 -5.580 -32.898 10.452 451 HA ILE 57 HA ILE 57 -5.732 -33.300 13.405 452 HB ILE 57 HB ILE 57 -3.642 -33.712 11.291 453 HG12 ILE 57 HG12 ILE 57 -4.580 -35.648 13.432 454 HG13 ILE 57 HG13 ILE 57 -5.522 -35.388 11.961 455 HG21 ILE 57 HG21 ILE 57 -3.051 -33.739 14.261 456 HG22 ILE 57 HG22 ILE 57 -2.015 -34.451 12.999 457 HG23 ILE 57 HG23 ILE 57 -2.282 -32.734 12.992 458 HD11 ILE 57 HD13 ILE 57 -3.514 -35.906 10.592 459 HD12 ILE 57 HD11 ILE 57 -2.660 -36.385 12.072 460 HD13 ILE 57 HD12 ILE 57 -4.114 -37.270 11.558 461 H LEU 58 H LEU 58 -3.654 -31.160 11.264 462 HA LEU 58 HA LEU 58 -2.850 -29.448 13.326 463 HB2 LEU 58 HB2 LEU 58 -3.428 -28.652 10.439 464 HB3 LEU 58 HB3 LEU 58 -2.577 -27.698 11.641 465 HG LEU 58 HG LEU 58 -1.116 -29.964 11.843 466 HD11 LEU 58 HD11 LEU 58 -2.357 -30.038 9.129 467 HD12 LEU 58 HD12 LEU 58 -0.625 -30.522 9.298 468 HD13 LEU 58 HD13 LEU 58 -1.845 -31.328 10.255 469 HD21 LEU 58 HD23 LEU 58 -0.892 -27.465 10.235 470 HD22 LEU 58 HD21 LEU 58 0.072 -28.073 11.587 471 HD23 LEU 58 HD22 LEU 58 0.333 -28.719 9.954 472 H LYS 59 H LYS 59 -5.871 -29.577 11.694 473 HA LYS 59 HA LYS 59 -7.311 -27.308 12.406 474 HB2 LYS 59 HB2 LYS 59 -7.915 -30.226 12.452 475 HB3 LYS 59 HB3 LYS 59 -9.060 -29.181 13.267 476 HG2 LYS 59 HG2 LYS 59 -8.184 -28.385 10.492 477 HG3 LYS 59 HG3 LYS 59 -9.256 -29.778 10.648 478 HD2 LYS 59 HD2 LYS 59 -9.782 -27.062 11.885 479 HD3 LYS 59 HD3 LYS 59 -10.408 -27.522 10.303 480 HE2 LYS 59 HE2 LYS 59 -11.913 -29.090 11.157 481 HE3 LYS 59 HE3 LYS 59 -10.970 -29.365 12.629 482 HZ1 LYS 59 HZ3 LYS 59 -11.577 -27.093 13.340 483 HZ2 LYS 59 HZ1 LYS 59 -12.411 -26.838 12.064 484 HZ3 LYS 59 HZ2 LYS 59 -12.962 -28.006 13.122 485 H ALA 60 H ALA 60 -6.332 -29.807 14.658 486 HA ALA 60 HA ALA 60 -6.867 -28.011 17.010 487 HB1 ALA 60 HB3 ALA 60 -7.827 -30.277 17.149 488 HB2 ALA 60 HB1 ALA 60 -6.220 -30.988 16.874 489 HB3 ALA 60 HB2 ALA 60 -6.539 -30.053 18.352 490 H LEU 61 H LEU 61 -4.325 -29.546 15.116 491 HA LEU 61 HA LEU 61 -2.284 -28.983 17.158 492 HB2 LEU 61 HB2 LEU 61 -2.830 -31.214 15.556 493 HB3 LEU 61 HB3 LEU 61 -1.396 -30.549 14.820 494 HG LEU 61 HG LEU 61 -1.651 -31.008 17.830 495 HD11 LEU 61 HD11 LEU 61 -0.451 -32.914 15.796 496 HD12 LEU 61 HD12 LEU 61 -0.430 -33.100 17.560 497 HD13 LEU 61 HD13 LEU 61 -1.967 -33.161 16.684 498 HD21 LEU 61 HD23 LEU 61 0.771 -30.709 16.008 499 HD22 LEU 61 HD21 LEU 61 0.177 -29.485 17.149 500 HD23 LEU 61 HD22 LEU 61 0.824 -31.020 17.755 501 H GLY 62 H GLY 62 -3.285 -26.764 15.914 502 HA2 GLY 62 HA2 GLY 62 -0.846 -25.690 14.520 503 HA3 GLY 62 HA3 GLY 62 -2.460 -24.998 14.392 504 HA PRO 63 HA PRO 63 -1.348 -23.614 18.764 505 HB2 PRO 63 HB2 PRO 63 0.370 -24.848 20.453 506 HB3 PRO 63 HB3 PRO 63 -1.139 -25.669 19.968 507 HG2 PRO 63 HG2 PRO 63 1.607 -25.978 18.669 508 HG3 PRO 63 HG3 PRO 63 0.571 -27.275 19.357 509 HD2 PRO 63 HD2 PRO 63 0.472 -26.644 16.708 510 HD3 PRO 63 HD3 PRO 63 -0.989 -27.089 17.650 511 H ALA 64 H ALA 64 0.154 -22.954 16.396 512 HA ALA 64 HA ALA 64 2.009 -21.895 15.555 513 HB1 ALA 64 HB3 ALA 64 0.834 -20.152 16.852 514 HB2 ALA 64 HB1 ALA 64 1.889 -20.492 18.246 515 HB3 ALA 64 HB2 ALA 64 2.581 -19.857 16.743 516 H ALA 65 H ALA 65 2.744 -24.415 16.839 517 HA ALA 65 HA ALA 65 5.652 -23.949 16.668 518 HB1 ALA 65 HB3 ALA 65 5.262 -23.872 19.086 519 HB2 ALA 65 HB1 ALA 65 4.377 -25.412 19.039 520 HB3 ALA 65 HB2 ALA 65 6.118 -25.362 18.654 521 H THR 66 H THR 66 4.029 -27.020 17.688 522 HA THR 66 HA THR 66 5.434 -28.568 15.948 523 HB THR 66 HB THR 66 2.614 -29.414 16.489 524 HG1 THR 66 HG1 THR 66 3.467 -29.964 18.625 525 HG21 THR 66 HG23 THR 66 4.216 -31.049 15.548 526 HG22 THR 66 HG21 THR 66 5.317 -30.770 16.903 527 HG23 THR 66 HG22 THR 66 3.723 -31.521 17.173 528 H LEU 67 H LEU 67 2.911 -26.556 14.857 529 HA LEU 67 HA LEU 67 1.938 -27.824 12.524 530 HB2 LEU 67 HB2 LEU 67 1.271 -25.745 13.589 531 HB3 LEU 67 HB3 LEU 67 2.708 -24.942 12.988 532 HG LEU 67 HG LEU 67 0.163 -25.701 11.482 533 HD11 LEU 67 HD11 LEU 67 2.061 -23.320 11.491 534 HD12 LEU 67 HD12 LEU 67 0.472 -23.386 10.688 535 HD13 LEU 67 HD13 LEU 67 0.576 -23.426 12.466 536 HD21 LEU 67 HD23 LEU 67 2.823 -25.302 10.136 537 HD22 LEU 67 HD21 LEU 67 1.738 -26.739 10.100 538 HD23 LEU 67 HD22 LEU 67 1.230 -25.223 9.360 539 H GLU 68 H GLU 68 4.912 -25.879 13.000 540 HA GLU 68 HA GLU 68 6.019 -25.734 10.560 541 HB2 GLU 68 HB2 GLU 68 7.431 -26.699 13.110 542 HB3 GLU 68 HB3 GLU 68 8.269 -26.024 11.694 543 HG2 GLU 68 HG2 GLU 68 7.097 -23.911 12.004 544 HG3 GLU 68 HG3 GLU 68 6.130 -24.587 13.272 545 H GLU 69 H GLU 69 6.094 -28.751 12.401 546 HA GLU 69 HA GLU 69 7.310 -30.230 10.111 547 HB2 GLU 69 HB2 GLU 69 7.034 -32.245 11.417 548 HB3 GLU 69 HB3 GLU 69 7.882 -30.981 12.315 549 HG2 GLU 69 HG2 GLU 69 6.171 -30.662 13.834 550 HG3 GLU 69 HG3 GLU 69 4.929 -31.305 12.775 551 H MET 70 H MET 70 4.106 -29.872 11.532 552 HA MET 70 HA MET 70 2.722 -32.041 10.234 553 HB2 MET 70 HB2 MET 70 1.769 -29.460 11.244 554 HB3 MET 70 HB3 MET 70 0.771 -30.909 10.908 555 HG2 MET 70 HG2 MET 70 2.886 -31.363 12.826 556 HG3 MET 70 HG3 MET 70 1.813 -30.014 13.262 557 HE1 MET 70 HE3 MET 70 1.414 -33.631 11.576 558 HE2 MET 70 HE1 MET 70 2.422 -33.767 13.039 559 HE3 MET 70 HE2 MET 70 0.806 -34.509 12.997 560 H MET 71 H MET 71 3.458 -28.855 9.382 561 HA MET 71 HA MET 71 1.891 -28.072 7.208 562 HB2 MET 71 HB2 MET 71 3.551 -26.681 8.445 563 HB3 MET 71 HB3 MET 71 4.874 -27.566 7.712 564 HG2 MET 71 HG2 MET 71 4.552 -26.533 5.611 565 HG3 MET 71 HG3 MET 71 2.832 -26.269 5.923 566 HE1 MET 71 HE3 MET 71 5.916 -25.313 8.257 567 HE2 MET 71 HE1 MET 71 6.448 -25.060 6.579 568 HE3 MET 71 HE2 MET 71 6.215 -23.664 7.659 569 H THR 72 H THR 72 5.095 -29.809 7.056 570 HA THR 72 HA THR 72 4.566 -30.478 4.248 571 HB THR 72 HB THR 72 6.840 -31.787 5.141 572 HG1 THR 72 HG1 THR 72 8.013 -29.924 6.059 573 HG21 THR 72 HG23 THR 72 6.658 -30.654 2.986 574 HG22 THR 72 HG21 THR 72 6.514 -29.067 3.774 575 HG23 THR 72 HG22 THR 72 8.044 -29.958 3.847 576 H ALA 73 H ALA 73 4.469 -32.142 7.422 577 HA ALA 73 HA ALA 73 4.718 -34.790 6.505 578 HB1 ALA 73 HB3 ALA 73 4.570 -34.100 8.881 579 HB2 ALA 73 HB1 ALA 73 2.846 -33.724 8.660 580 HB3 ALA 73 HB2 ALA 73 3.415 -35.396 8.502 581 H CYS 74 H CYS 74 2.088 -32.587 6.139 582 HA CYS 74 HA CYS 74 0.052 -34.400 5.266 583 HB2 CYS 74 HB2 CYS 74 -1.267 -32.515 5.065 584 HB3 CYS 74 HB3 CYS 74 -0.063 -31.956 6.241 585 HG CYS 74 HG CYS 74 1.361 -30.530 4.632 586 H GLN 75 H GLN 75 2.849 -33.853 3.568 587 HA GLN 75 HA GLN 75 1.466 -34.364 0.972 588 HB2 GLN 75 HB2 GLN 75 3.244 -33.426 -0.083 589 HB3 GLN 75 HB3 GLN 75 3.170 -32.451 1.370 590 HG2 GLN 75 HG2 GLN 75 5.456 -32.841 1.155 591 HG3 GLN 75 HG3 GLN 75 4.961 -34.062 2.337 592 HE21 GLN 75 HE22 GLN 75 4.746 -34.135 -1.292 593 HE22 GLN 75 HE21 GLN 75 5.683 -35.634 -1.342 594 H GLY 76 H GLY 76 3.337 -35.914 3.456 595 HA2 GLY 76 HA2 GLY 76 4.311 -38.076 1.647 596 HA3 GLY 76 HA3 GLY 76 4.895 -37.717 3.277 597 H VAL 77 H VAL 77 1.488 -37.754 2.634 598 HA VAL 77 HA VAL 77 0.986 -40.337 3.931 599 HB VAL 77 HB VAL 77 0.174 -37.678 5.203 600 HG11 VAL 77 HG11 VAL 77 -0.529 -40.578 5.907 601 HG12 VAL 77 HG12 VAL 77 -0.877 -39.168 6.925 602 HG13 VAL 77 HG13 VAL 77 -1.667 -39.319 5.364 603 HG21 VAL 77 HG23 VAL 77 1.961 -39.938 6.211 604 HG22 VAL 77 HG21 VAL 77 2.458 -38.271 5.843 605 HG23 VAL 77 HG22 VAL 77 1.371 -38.574 7.191 606 H GLY 78 H GLY 78 -0.420 -41.154 2.692 607 HA2 GLY 78 HA2 GLY 78 -2.899 -39.774 1.838 608 HA3 GLY 78 HA3 GLY 78 -1.869 -40.428 0.560 609 H GLY 79 H GLY 79 -4.033 -41.616 0.206 610 HA2 GLY 79 HA2 GLY 79 -3.768 -44.337 0.705 611 HA3 GLY 79 HA3 GLY 79 -4.797 -43.754 2.011 612 HA PRO 80 HA PRO 80 -8.218 -43.734 -0.933 613 HB2 PRO 80 HB2 PRO 80 -9.567 -41.367 -0.681 614 HB3 PRO 80 HB3 PRO 80 -9.527 -42.594 0.621 615 HG2 PRO 80 HG2 PRO 80 -7.777 -40.129 0.331 616 HG3 PRO 80 HG3 PRO 80 -8.698 -40.664 1.774 617 HD2 PRO 80 HD2 PRO 80 -6.054 -41.205 1.460 618 HD3 PRO 80 HD3 PRO 80 -7.150 -42.387 2.233 619 H GLY 81 H GLY 81 -9.167 -42.625 -2.928 620 HA2 GLY 81 HA2 GLY 81 -7.227 -40.831 -4.328 621 HA3 GLY 81 HA3 GLY 81 -7.872 -42.265 -5.117 622 H HIS 82 H HIS 82 -8.080 -39.755 -6.133 623 HA HIS 82 HA HIS 82 -9.285 -37.928 -6.666 624 HB2 HIS 82 HB2 HIS 82 -11.552 -38.930 -7.847 625 HB3 HIS 82 HB3 HIS 82 -9.963 -38.776 -8.545 626 HD2 HIS 82 HD2 HIS 82 -11.720 -41.607 -6.441 627 HE1 HIS 82 HE1 HIS 82 -9.481 -43.400 -9.592 628 HE2 HIS 82 HE2 HIS 82 -11.040 -43.852 -7.624 629 H LYS 83 H LYS 83 -12.075 -39.782 -5.410 630 HA LYS 83 HA LYS 83 -14.118 -38.880 -4.709 631 HB2 LYS 83 HB2 LYS 83 -12.461 -39.487 -2.801 632 HB3 LYS 83 HB3 LYS 83 -12.290 -37.758 -2.559 633 HG2 LYS 83 HG2 LYS 83 -13.833 -38.615 -0.956 634 HG3 LYS 83 HG3 LYS 83 -14.767 -37.633 -2.081 635 HD2 LYS 83 HD2 LYS 83 -15.520 -39.704 -3.250 636 HD3 LYS 83 HD3 LYS 83 -14.598 -40.687 -2.108 637 HE2 LYS 83 HE2 LYS 83 -16.836 -38.742 -1.366 638 HE3 LYS 83 HE3 LYS 83 -17.083 -40.470 -1.632 639 HZ1 LYS 83 HZ3 LYS 83 -15.615 -40.935 0.230 640 HZ2 LYS 83 HZ1 LYS 83 -15.300 -39.333 0.448 641 HZ3 LYS 83 HZ2 LYS 83 -16.807 -39.919 0.726 642 H ALA 84 H ALA 84 -13.112 -37.162 -6.639 643 HA ALA 84 HA ALA 84 -13.068 -34.424 -5.853 644 HB1 ALA 84 HB3 ALA 84 -11.679 -35.478 -7.612 645 HB2 ALA 84 HB1 ALA 84 -13.128 -35.716 -8.615 646 HB3 ALA 84 HB2 ALA 84 -12.558 -34.075 -8.217 647 H ARG 85 H ARG 85 -14.492 -33.723 -8.551 648 HA ARG 85 HA ARG 85 -17.325 -33.917 -7.862 649 HB2 ARG 85 HB2 ARG 85 -15.988 -31.779 -6.695 650 HB3 ARG 85 HB3 ARG 85 -16.398 -31.090 -8.253 651 HG2 ARG 85 HG2 ARG 85 -18.236 -30.504 -6.917 652 HG3 ARG 85 HG3 ARG 85 -18.833 -31.918 -7.771 653 HD2 ARG 85 HD2 ARG 85 -19.499 -32.304 -5.572 654 HD3 ARG 85 HD3 ARG 85 -18.056 -33.302 -5.718 655 HE ARG 85 HE ARG 85 -18.247 -30.618 -4.394 656 HH11 ARG 85 HH11 ARG 85 -16.381 -33.624 -4.667 657 HH12 ARG 85 HH12 ARG 85 -15.425 -33.234 -3.284 658 HH21 ARG 85 HH21 ARG 85 -16.978 -30.220 -2.646 659 HH22 ARG 85 HH22 ARG 85 -15.743 -31.349 -2.188 660 H VAL 86 H VAL 86 -18.574 -32.540 -9.414 661 HA VAL 86 HA VAL 86 -17.485 -31.995 -12.065 662 HB VAL 86 HB VAL 86 -19.394 -33.090 -13.196 663 HG11 VAL 86 HG11 VAL 86 -17.764 -35.099 -11.602 664 HG12 VAL 86 HG12 VAL 86 -18.569 -35.354 -13.162 665 HG13 VAL 86 HG13 VAL 86 -17.201 -34.231 -13.047 666 HG21 VAL 86 HG23 VAL 86 -19.959 -34.485 -10.535 667 HG22 VAL 86 HG21 VAL 86 -20.994 -33.253 -11.295 668 HG23 VAL 86 HG22 VAL 86 -20.744 -34.803 -12.095 669 H LEU 87 H LEU 87 -20.054 -31.259 -13.131 670 HA LEU 87 HA LEU 87 -20.945 -29.096 -11.288 671 HB2 LEU 87 HB2 LEU 87 -20.141 -28.303 -13.515 672 HB3 LEU 87 HB3 LEU 87 -21.234 -29.453 -14.308 673 HG LEU 87 HG LEU 87 -23.199 -28.247 -13.428 674 HD11 LEU 87 HD11 LEU 87 -21.129 -26.329 -12.263 675 HD12 LEU 87 HD12 LEU 87 -22.879 -25.999 -12.393 676 HD13 LEU 87 HD13 LEU 87 -22.308 -27.311 -11.360 677 HD21 LEU 87 HD23 LEU 87 -21.175 -26.447 -14.818 678 HD22 LEU 87 HD21 LEU 87 -22.237 -27.638 -15.607 679 HD23 LEU 87 HD22 LEU 87 -22.942 -26.231 -14.797 Start of MODEL 21 1 H1 MET 1 H1 MET 1 5.977 -3.272 1.288 2 H2 MET 1 H2 MET 1 5.244 -4.706 1.059 3 H3 MET 1 H3 MET 1 4.316 -3.400 1.314 4 HA MET 1 HA MET 1 4.305 -4.096 -0.977 5 HB2 MET 1 HB2 MET 1 5.611 -1.373 -0.559 6 HB3 MET 1 HB3 MET 1 4.747 -1.899 -2.010 7 HG2 MET 1 HG2 MET 1 3.594 -1.445 0.750 8 HG3 MET 1 HG3 MET 1 3.240 -0.559 -0.728 9 HE1 MET 1 HE3 MET 1 1.675 -1.359 -2.635 10 HE2 MET 1 HE1 MET 1 2.715 -2.766 -2.967 11 HE3 MET 1 HE2 MET 1 0.966 -2.983 -2.751 12 H SER 2 H SER 2 6.493 -5.578 -0.063 13 HA SER 2 HA SER 2 8.112 -5.592 -2.537 14 HB2 SER 2 HB2 SER 2 9.327 -5.841 0.250 15 HB3 SER 2 HB3 SER 2 10.169 -6.090 -1.292 16 HG SER 2 HG SER 2 10.568 -4.018 -0.606 17 HA PRO 3 HA PRO 3 6.189 -9.370 -0.507 18 HB2 PRO 3 HB2 PRO 3 4.008 -9.959 -1.963 19 HB3 PRO 3 HB3 PRO 3 4.072 -8.507 -0.949 20 HG2 PRO 3 HG2 PRO 3 4.703 -8.664 -3.926 21 HG3 PRO 3 HG3 PRO 3 3.515 -7.593 -3.107 22 HD2 PRO 3 HD2 PRO 3 6.072 -6.772 -3.636 23 HD3 PRO 3 HD3 PRO 3 5.180 -6.284 -2.166 24 H THR 4 H THR 4 8.458 -10.069 -1.435 25 HA THR 4 HA THR 4 8.031 -12.351 -3.349 26 HB THR 4 HB THR 4 10.393 -12.799 -3.159 27 HG1 THR 4 HG1 THR 4 11.427 -12.147 -1.547 28 HG21 THR 4 HG23 THR 4 9.684 -11.079 -4.819 29 HG22 THR 4 HG21 THR 4 10.007 -9.811 -3.609 30 HG23 THR 4 HG22 THR 4 11.330 -10.829 -4.209 31 H SER 5 H SER 5 9.104 -11.681 0.012 32 HA SER 5 HA SER 5 8.242 -14.343 0.935 33 HB2 SER 5 HB2 SER 5 8.872 -13.372 3.182 34 HB3 SER 5 HB3 SER 5 10.191 -13.493 1.997 35 HG SER 5 HG SER 5 10.336 -11.468 2.840 36 H ILE 6 H ILE 6 6.467 -14.621 2.416 37 HA ILE 6 HA ILE 6 4.193 -13.094 1.460 38 HB ILE 6 HB ILE 6 2.786 -14.620 2.467 39 HG12 ILE 6 HG12 ILE 6 3.917 -16.248 4.288 40 HG13 ILE 6 HG13 ILE 6 4.898 -14.862 4.588 41 HG21 ILE 6 HG21 ILE 6 5.373 -16.171 2.212 42 HG22 ILE 6 HG22 ILE 6 3.719 -16.771 1.957 43 HG23 ILE 6 HG23 ILE 6 4.396 -15.599 0.819 44 HD11 ILE 6 HD13 ILE 6 2.937 -13.532 5.181 45 HD12 ILE 6 HD11 ILE 6 1.856 -14.857 4.710 46 HD13 ILE 6 HD12 ILE 6 2.951 -15.032 6.113 47 H LEU 7 H LEU 7 6.079 -12.998 4.281 48 HA LEU 7 HA LEU 7 4.577 -11.739 6.192 49 HB2 LEU 7 HB2 LEU 7 6.669 -10.953 7.179 50 HB3 LEU 7 HB3 LEU 7 6.780 -12.586 6.541 51 HG LEU 7 HG LEU 7 7.848 -11.504 4.426 52 HD11 LEU 7 HD11 LEU 7 8.265 -9.246 6.438 53 HD12 LEU 7 HD12 LEU 7 9.181 -9.451 4.929 54 HD13 LEU 7 HD13 LEU 7 7.461 -9.122 4.856 55 HD21 LEU 7 HD23 LEU 7 9.318 -11.502 7.089 56 HD22 LEU 7 HD21 LEU 7 9.048 -12.911 6.030 57 HD23 LEU 7 HD22 LEU 7 10.064 -11.573 5.475 58 H ASP 8 H ASP 8 4.950 -10.367 3.308 59 HA ASP 8 HA ASP 8 4.815 -7.480 4.031 60 HB2 ASP 8 HB2 ASP 8 6.365 -8.510 2.263 61 HB3 ASP 8 HB3 ASP 8 4.916 -8.836 1.310 62 H ILE 9 H ILE 9 2.784 -10.127 3.136 63 HA ILE 9 HA ILE 9 0.412 -8.355 2.866 64 HB ILE 9 HB ILE 9 -0.648 -10.060 1.483 65 HG12 ILE 9 HG12 ILE 9 1.944 -11.527 0.968 66 HG13 ILE 9 HG13 ILE 9 1.076 -11.904 2.453 67 HG21 ILE 9 HG21 ILE 9 1.979 -9.233 0.237 68 HG22 ILE 9 HG22 ILE 9 0.492 -9.751 -0.599 69 HG23 ILE 9 HG23 ILE 9 0.501 -8.244 0.345 70 HD11 ILE 9 HD13 ILE 9 -0.972 -12.344 1.249 71 HD12 ILE 9 HD11 ILE 9 -0.141 -12.043 -0.301 72 HD13 ILE 9 HD12 ILE 9 0.362 -13.405 0.740 73 H ARG 10 H ARG 10 1.704 -9.670 5.147 74 HA ARG 10 HA ARG 10 -0.087 -11.798 6.023 75 HB2 ARG 10 HB2 ARG 10 1.322 -12.134 7.879 76 HB3 ARG 10 HB3 ARG 10 2.281 -11.893 6.444 77 HG2 ARG 10 HG2 ARG 10 3.540 -10.623 7.766 78 HG3 ARG 10 HG3 ARG 10 2.395 -9.362 7.339 79 HD2 ARG 10 HD2 ARG 10 1.888 -9.089 9.475 80 HD3 ARG 10 HD3 ARG 10 1.337 -10.766 9.633 81 HE ARG 10 HE ARG 10 4.085 -10.983 9.734 82 HH11 ARG 10 HH11 ARG 10 1.899 -9.042 11.642 83 HH12 ARG 10 HH12 ARG 10 2.962 -9.019 13.025 84 HH21 ARG 10 HH21 ARG 10 5.377 -10.973 11.499 85 HH22 ARG 10 HH22 ARG 10 4.916 -10.106 12.934 86 H GLN 11 H GLN 11 -1.918 -10.201 5.616 87 HA GLN 11 HA GLN 11 -3.025 -8.389 7.350 88 HB2 GLN 11 HB2 GLN 11 -4.176 -9.386 5.444 89 HB3 GLN 11 HB3 GLN 11 -4.177 -10.974 6.215 90 HG2 GLN 11 HG2 GLN 11 -5.690 -10.036 8.022 91 HG3 GLN 11 HG3 GLN 11 -5.773 -8.548 7.085 92 HE21 GLN 11 HE22 GLN 11 -7.883 -10.694 7.799 93 HE22 GLN 11 HE21 GLN 11 -8.489 -11.161 6.206 94 H GLY 12 H GLY 12 -2.746 -11.851 8.013 95 HA2 GLY 12 HA2 GLY 12 -1.973 -12.409 10.334 96 HA3 GLY 12 HA3 GLY 12 -3.399 -11.497 10.913 97 HA PRO 13 HA PRO 13 -5.216 -15.070 8.280 98 HB2 PRO 13 HB2 PRO 13 -3.683 -16.910 7.047 99 HB3 PRO 13 HB3 PRO 13 -3.742 -15.215 6.499 100 HG2 PRO 13 HG2 PRO 13 -1.702 -16.367 8.459 101 HG3 PRO 13 HG3 PRO 13 -1.350 -15.577 6.877 102 HD2 PRO 13 HD2 PRO 13 -1.328 -14.217 9.177 103 HD3 PRO 13 HD3 PRO 13 -2.033 -13.501 7.688 104 H LYS 14 H LYS 14 -4.484 -15.206 11.091 105 HA LYS 14 HA LYS 14 -3.930 -17.819 12.079 106 HB2 LYS 14 HB2 LYS 14 -5.230 -16.970 14.136 107 HB3 LYS 14 HB3 LYS 14 -3.720 -16.222 13.660 108 HG2 LYS 14 HG2 LYS 14 -5.225 -14.567 14.488 109 HG3 LYS 14 HG3 LYS 14 -4.871 -14.272 12.814 110 HD2 LYS 14 HD2 LYS 14 -7.144 -13.727 13.184 111 HD3 LYS 14 HD3 LYS 14 -7.157 -15.205 12.225 112 HE2 LYS 14 HE2 LYS 14 -7.734 -16.543 14.156 113 HE3 LYS 14 HE3 LYS 14 -7.393 -15.222 15.274 114 HZ1 LYS 14 HZ3 LYS 14 -9.413 -14.153 14.678 115 HZ2 LYS 14 HZ1 LYS 14 -9.578 -14.958 13.257 116 HZ3 LYS 14 HZ2 LYS 14 -9.857 -15.742 14.559 117 H GLU 15 H GLU 15 -6.564 -17.154 10.346 118 HA GLU 15 HA GLU 15 -8.267 -19.295 11.526 119 HB2 GLU 15 HB2 GLU 15 -8.704 -17.138 12.444 120 HB3 GLU 15 HB3 GLU 15 -8.972 -16.425 10.857 121 HG2 GLU 15 HG2 GLU 15 -11.057 -17.568 10.628 122 HG3 GLU 15 HG3 GLU 15 -10.692 -18.642 12.013 123 HA PRO 16 HA PRO 16 -9.749 -19.035 7.004 124 HB2 PRO 16 HB2 PRO 16 -8.239 -17.774 5.090 125 HB3 PRO 16 HB3 PRO 16 -9.528 -16.947 6.025 126 HG2 PRO 16 HG2 PRO 16 -6.544 -16.959 6.568 127 HG3 PRO 16 HG3 PRO 16 -7.645 -15.543 6.467 128 HD2 PRO 16 HD2 PRO 16 -6.988 -16.624 8.834 129 HD3 PRO 16 HD3 PRO 16 -8.662 -16.080 8.541 130 H PHE 17 H PHE 17 -9.120 -20.408 5.229 131 HA PHE 17 HA PHE 17 -6.309 -21.335 5.192 132 HB2 PHE 17 HB2 PHE 17 -8.509 -23.211 5.576 133 HB3 PHE 17 HB3 PHE 17 -7.585 -23.546 4.160 134 HD1 PHE 17 HD2 PHE 17 -6.510 -22.291 7.580 135 HD2 PHE 17 HD1 PHE 17 -6.050 -25.276 4.488 136 HE1 PHE 17 HE2 PHE 17 -4.462 -23.158 8.690 137 HE2 PHE 17 HE1 PHE 17 -4.072 -26.189 5.690 138 HZ PHE 17 HZ PHE 17 -3.243 -25.039 7.746 139 H ARG 18 H ARG 18 -8.901 -22.289 2.737 140 HA ARG 18 HA ARG 18 -7.026 -21.550 0.780 141 HB2 ARG 18 HB2 ARG 18 -8.632 -22.064 -0.884 142 HB3 ARG 18 HB3 ARG 18 -8.723 -23.218 0.436 143 HG2 ARG 18 HG2 ARG 18 -10.955 -22.842 -0.130 144 HG3 ARG 18 HG3 ARG 18 -10.672 -21.924 1.342 145 HD2 ARG 18 HD2 ARG 18 -11.967 -20.547 0.164 146 HD3 ARG 18 HD3 ARG 18 -10.427 -19.833 -0.162 147 HE ARG 18 HE ARG 18 -12.153 -21.244 -2.102 148 HH11 ARG 18 HH11 ARG 18 -8.933 -19.780 -1.632 149 HH12 ARG 18 HH12 ARG 18 -8.710 -19.568 -3.307 150 HH21 ARG 18 HH21 ARG 18 -11.747 -20.845 -4.308 151 HH22 ARG 18 HH22 ARG 18 -10.239 -20.047 -4.713 152 H ASP 19 H ASP 19 -9.311 -19.905 2.366 153 HA ASP 19 HA ASP 19 -10.003 -17.633 0.857 154 HB2 ASP 19 HB2 ASP 19 -10.101 -17.460 3.819 155 HB3 ASP 19 HB3 ASP 19 -11.373 -17.248 2.641 156 H TYR 20 H TYR 20 -7.141 -18.397 2.341 157 HA TYR 20 HA TYR 20 -5.924 -15.807 1.619 158 HB2 TYR 20 HB2 TYR 20 -6.219 -15.616 4.028 159 HB3 TYR 20 HB3 TYR 20 -5.338 -17.118 4.276 160 HD1 TYR 20 HD2 TYR 20 -4.983 -13.549 3.107 161 HD2 TYR 20 HD1 TYR 20 -2.921 -17.163 4.256 162 HE1 TYR 20 HE2 TYR 20 -2.867 -12.283 3.315 163 HE2 TYR 20 HE1 TYR 20 -0.803 -15.877 4.455 164 HH TYR 20 HH TYR 20 -0.653 -12.375 3.881 165 H VAL 21 H VAL 21 -5.649 -19.309 1.890 166 HA VAL 21 HA VAL 21 -2.971 -19.759 1.386 167 HB VAL 21 HB VAL 21 -5.058 -21.418 1.604 168 HG11 VAL 21 HG11 VAL 21 -4.330 -21.854 -1.328 169 HG12 VAL 21 HG12 VAL 21 -5.495 -22.759 -0.332 170 HG13 VAL 21 HG13 VAL 21 -5.830 -21.097 -0.827 171 HG21 VAL 21 HG23 VAL 21 -2.610 -22.387 0.161 172 HG22 VAL 21 HG21 VAL 21 -2.708 -22.042 1.894 173 HG23 VAL 21 HG22 VAL 21 -3.758 -23.258 1.230 174 H ASP 22 H ASP 22 -5.450 -19.011 -1.134 175 HA ASP 22 HA ASP 22 -3.892 -19.149 -3.377 176 HB2 ASP 22 HB2 ASP 22 -6.053 -17.282 -2.402 177 HB3 ASP 22 HB3 ASP 22 -5.468 -17.212 -4.029 178 H ARG 23 H ARG 23 -4.395 -16.461 -1.302 179 HA ARG 23 HA ARG 23 -2.757 -14.484 -2.596 180 HB2 ARG 23 HB2 ARG 23 -3.418 -14.237 0.331 181 HB3 ARG 23 HB3 ARG 23 -3.496 -13.034 -0.953 182 HG2 ARG 23 HG2 ARG 23 -5.468 -15.276 -0.374 183 HG3 ARG 23 HG3 ARG 23 -5.719 -13.576 -0.060 184 HD2 ARG 23 HD2 ARG 23 -5.102 -14.276 -2.907 185 HD3 ARG 23 HD3 ARG 23 -6.575 -14.983 -2.242 186 HE ARG 23 HE ARG 23 -6.213 -12.130 -1.697 187 HH11 ARG 23 HH11 ARG 23 -7.728 -14.363 -3.971 188 HH12 ARG 23 HH12 ARG 23 -8.778 -13.139 -4.608 189 HH21 ARG 23 HH21 ARG 23 -7.686 -10.671 -2.467 190 HH22 ARG 23 HH22 ARG 23 -8.798 -11.125 -3.720 191 H PHE 24 H PHE 24 -2.157 -16.744 0.009 192 HA PHE 24 HA PHE 24 0.466 -15.738 0.802 193 HB2 PHE 24 HB2 PHE 24 -0.839 -17.135 2.293 194 HB3 PHE 24 HB3 PHE 24 -0.935 -18.423 1.117 195 HD1 PHE 24 HD1 PHE 24 1.069 -19.773 0.539 196 HD2 PHE 24 HD2 PHE 24 1.077 -17.018 3.832 197 HE1 PHE 24 HE1 PHE 24 3.117 -20.822 1.372 198 HE2 PHE 24 HE2 PHE 24 3.139 -18.105 4.696 199 HZ PHE 24 HZ PHE 24 4.341 -19.789 3.299 200 H TYR 25 H TYR 25 -0.538 -18.508 -1.238 201 HA TYR 25 HA TYR 25 2.122 -19.126 -2.142 202 HB2 TYR 25 HB2 TYR 25 -0.609 -20.076 -2.906 203 HB3 TYR 25 HB3 TYR 25 0.786 -20.476 -3.887 204 HD1 TYR 25 HD1 TYR 25 -0.682 -20.975 -0.450 205 HD2 TYR 25 HD2 TYR 25 2.528 -21.980 -3.151 206 HE1 TYR 25 HE1 TYR 25 -0.161 -22.924 0.919 207 HE2 TYR 25 HE2 TYR 25 3.019 -23.988 -1.749 208 HH TYR 25 HH TYR 25 1.337 -24.752 1.214 209 H LYS 26 H LYS 26 -0.370 -17.014 -3.550 210 HA LYS 26 HA LYS 26 0.802 -16.303 -5.995 211 HB2 LYS 26 HB2 LYS 26 -1.303 -15.501 -5.631 212 HB3 LYS 26 HB3 LYS 26 -1.001 -15.026 -3.980 213 HG2 LYS 26 HG2 LYS 26 0.148 -13.430 -6.273 214 HG3 LYS 26 HG3 LYS 26 -1.486 -13.195 -5.689 215 HD2 LYS 26 HD2 LYS 26 -0.882 -12.378 -3.621 216 HD3 LYS 26 HD3 LYS 26 0.696 -13.139 -3.591 217 HE2 LYS 26 HE2 LYS 26 -0.009 -10.935 -5.570 218 HE3 LYS 26 HE3 LYS 26 0.630 -10.597 -3.948 219 HZ1 LYS 26 HZ3 LYS 26 2.588 -11.780 -4.429 220 HZ2 LYS 26 HZ1 LYS 26 2.059 -12.385 -5.835 221 HZ3 LYS 26 HZ2 LYS 26 2.393 -10.759 -5.700 222 H THR 27 H THR 27 2.259 -15.727 -2.922 223 HA THR 27 HA THR 27 4.352 -14.062 -4.260 224 HB THR 27 HB THR 27 2.794 -13.668 -1.747 225 HG1 THR 27 HG1 THR 27 4.451 -11.811 -2.971 226 HG21 THR 27 HG23 THR 27 4.904 -14.108 -0.695 227 HG22 THR 27 HG21 THR 27 5.729 -13.054 -1.845 228 HG23 THR 27 HG22 THR 27 4.575 -12.364 -0.683 229 H LEU 28 H LEU 28 3.802 -16.346 -1.514 230 HA LEU 28 HA LEU 28 6.358 -17.160 -0.968 231 HB2 LEU 28 HB2 LEU 28 4.379 -17.934 0.169 232 HB3 LEU 28 HB3 LEU 28 3.882 -18.866 -1.213 233 HG LEU 28 HG LEU 28 4.931 -20.025 0.725 234 HD11 LEU 28 HD11 LEU 28 6.321 -20.757 -1.853 235 HD12 LEU 28 HD12 LEU 28 5.794 -21.797 -0.525 236 HD13 LEU 28 HD13 LEU 28 4.596 -21.026 -1.579 237 HD21 LEU 28 HD23 LEU 28 7.602 -19.156 -0.261 238 HD22 LEU 28 HD21 LEU 28 6.741 -18.437 1.117 239 HD23 LEU 28 HD22 LEU 28 7.157 -20.142 1.152 240 H ARG 29 H ARG 29 4.452 -18.357 -3.766 241 HA ARG 29 HA ARG 29 6.369 -20.352 -4.439 242 HB2 ARG 29 HB2 ARG 29 4.997 -21.089 -6.081 243 HB3 ARG 29 HB3 ARG 29 3.943 -20.452 -4.852 244 HG2 ARG 29 HG2 ARG 29 2.907 -19.294 -6.476 245 HG3 ARG 29 HG3 ARG 29 4.344 -18.268 -6.583 246 HD2 ARG 29 HD2 ARG 29 5.230 -20.248 -8.174 247 HD3 ARG 29 HD3 ARG 29 3.537 -20.680 -8.250 248 HE ARG 29 HE ARG 29 3.069 -18.770 -9.503 249 HH11 ARG 29 HH11 ARG 29 6.483 -18.644 -8.588 250 HH12 ARG 29 HH12 ARG 29 6.871 -17.546 -9.884 251 HH21 ARG 29 HH21 ARG 29 3.650 -17.366 -11.089 252 HH22 ARG 29 HH22 ARG 29 5.290 -16.788 -11.205 253 H ALA 30 H ALA 30 7.346 -17.504 -4.436 254 HA ALA 30 HA ALA 30 9.017 -17.736 -6.895 255 HB1 ALA 30 HB3 ALA 30 7.554 -15.728 -6.977 256 HB2 ALA 30 HB1 ALA 30 8.201 -15.204 -5.403 257 HB3 ALA 30 HB2 ALA 30 9.271 -15.291 -6.814 258 H GLU 31 H GLU 31 8.994 -17.823 -3.433 259 HA GLU 31 HA GLU 31 11.981 -17.510 -3.320 260 HB2 GLU 31 HB2 GLU 31 9.878 -17.247 -1.144 261 HB3 GLU 31 HB3 GLU 31 11.612 -17.174 -0.870 262 HG2 GLU 31 HG2 GLU 31 10.157 -15.211 -2.689 263 HG3 GLU 31 HG3 GLU 31 10.290 -15.007 -0.945 264 H GLN 32 H GLN 32 9.465 -19.368 -1.396 265 HA GLN 32 HA GLN 32 11.298 -21.667 -1.176 266 HB2 GLN 32 HB2 GLN 32 8.318 -21.397 -0.585 267 HB3 GLN 32 HB3 GLN 32 9.228 -22.854 -0.292 268 HG2 GLN 32 HG2 GLN 32 9.825 -20.246 1.124 269 HG3 GLN 32 HG3 GLN 32 8.768 -21.518 1.733 270 HE21 GLN 32 HE22 GLN 32 9.821 -23.144 3.020 271 HE22 GLN 32 HE21 GLN 32 11.589 -23.289 3.005 272 H ALA 33 H ALA 33 9.091 -20.577 -3.502 273 HA ALA 33 HA ALA 33 8.027 -21.365 -5.321 274 HB1 ALA 33 HB3 ALA 33 10.246 -21.985 -6.058 275 HB2 ALA 33 HB1 ALA 33 10.067 -23.595 -5.329 276 HB3 ALA 33 HB2 ALA 33 9.011 -23.103 -6.667 277 H SER 34 H SER 34 8.668 -24.327 -3.421 278 HA SER 34 HA SER 34 7.402 -26.260 -3.313 279 HB2 SER 34 HB2 SER 34 5.855 -24.302 -1.589 280 HB3 SER 34 HB3 SER 34 5.816 -26.069 -1.462 281 HG SER 34 HG SER 34 8.217 -25.824 -1.204 282 H GLN 35 H GLN 35 4.532 -24.048 -3.392 283 HA GLN 35 HA GLN 35 2.347 -24.782 -3.754 284 HB2 GLN 35 HB2 GLN 35 3.249 -23.496 -5.630 285 HB3 GLN 35 HB3 GLN 35 3.855 -24.949 -6.379 286 HG2 GLN 35 HG2 GLN 35 0.970 -25.212 -5.982 287 HG3 GLN 35 HG3 GLN 35 1.311 -23.643 -6.692 288 HE21 GLN 35 HE22 GLN 35 2.097 -27.128 -7.108 289 HE22 GLN 35 HE21 GLN 35 2.124 -27.024 -8.878 290 H GLU 36 H GLU 36 3.582 -26.888 -2.531 291 HA GLU 36 HA GLU 36 2.509 -29.374 -3.762 292 HB2 GLU 36 HB2 GLU 36 4.863 -28.833 -4.589 293 HB3 GLU 36 HB3 GLU 36 5.396 -28.936 -2.907 294 HG2 GLU 36 HG2 GLU 36 4.064 -31.339 -3.310 295 HG3 GLU 36 HG3 GLU 36 4.766 -31.057 -4.899 296 H VAL 37 H VAL 37 2.723 -31.184 -2.257 297 HA VAL 37 HA VAL 37 2.015 -30.899 0.467 298 HB VAL 37 HB VAL 37 3.294 -33.101 -1.192 299 HG11 VAL 37 HG11 VAL 37 2.307 -33.487 1.659 300 HG12 VAL 37 HG12 VAL 37 2.824 -34.746 0.527 301 HG13 VAL 37 HG13 VAL 37 4.000 -33.578 1.121 302 HG21 VAL 37 HG23 VAL 37 0.505 -32.719 -0.019 303 HG22 VAL 37 HG21 VAL 37 0.964 -32.560 -1.727 304 HG23 VAL 37 HG22 VAL 37 1.041 -34.139 -0.944 305 H LYS 38 H LYS 38 5.294 -30.997 -1.034 306 HA LYS 38 HA LYS 38 6.699 -31.102 1.423 307 HB2 LYS 38 HB2 LYS 38 7.358 -29.916 -1.264 308 HB3 LYS 38 HB3 LYS 38 8.456 -29.579 0.040 309 HG2 LYS 38 HG2 LYS 38 7.669 -32.460 -0.340 310 HG3 LYS 38 HG3 LYS 38 8.724 -31.719 -1.535 311 HD2 LYS 38 HD2 LYS 38 10.017 -32.892 0.082 312 HD3 LYS 38 HD3 LYS 38 10.398 -31.183 0.149 313 HE2 LYS 38 HE2 LYS 38 8.408 -32.457 2.078 314 HE3 LYS 38 HE3 LYS 38 10.150 -32.593 2.339 315 HZ1 LYS 38 HZ3 LYS 38 10.242 -30.116 2.269 316 HZ2 LYS 38 HZ1 LYS 38 8.609 -30.060 2.244 317 HZ3 LYS 38 HZ2 LYS 38 9.355 -30.687 3.536 318 H ASN 39 H ASN 39 4.658 -28.459 0.652 319 HA ASN 39 HA ASN 39 6.094 -26.258 1.713 320 HB2 ASN 39 HB2 ASN 39 3.972 -26.174 0.443 321 HB3 ASN 39 HB3 ASN 39 3.122 -26.806 1.857 322 HD21 ASN 39 HD22 ASN 39 2.319 -25.199 3.271 323 HD22 ASN 39 HD21 ASN 39 2.879 -23.535 3.183 324 H ALA 40 H ALA 40 6.971 -25.978 3.603 325 HA ALA 40 HA ALA 40 5.700 -25.983 6.124 326 HB1 ALA 40 HB3 ALA 40 5.957 -28.451 6.017 327 HB2 ALA 40 HB1 ALA 40 7.691 -28.267 5.671 328 HB3 ALA 40 HB2 ALA 40 7.018 -27.780 7.245 329 H MET 41 H MET 41 7.821 -25.903 7.846 330 HA MET 41 HA MET 41 9.648 -24.764 8.557 331 HB2 MET 41 HB2 MET 41 10.784 -25.663 5.886 332 HB3 MET 41 HB3 MET 41 11.709 -25.199 7.315 333 HG2 MET 41 HG2 MET 41 10.736 -27.087 8.582 334 HG3 MET 41 HG3 MET 41 9.796 -27.556 7.165 335 HE1 MET 41 HE3 MET 41 13.652 -26.427 7.535 336 HE2 MET 41 HE1 MET 41 13.262 -27.495 8.905 337 HE3 MET 41 HE2 MET 41 14.377 -28.043 7.635 338 H THR 42 H THR 42 7.796 -23.000 7.303 339 HA THR 42 HA THR 42 9.473 -20.609 7.037 340 HB THR 42 HB THR 42 7.539 -19.935 5.226 341 HG1 THR 42 HG1 THR 42 7.961 -22.711 4.863 342 HG21 THR 42 HG23 THR 42 9.980 -19.753 5.020 343 HG22 THR 42 HG21 THR 42 10.063 -21.485 4.655 344 HG23 THR 42 HG22 THR 42 9.228 -20.335 3.544 345 H GLU 43 H GLU 43 7.673 -18.652 6.903 346 HA GLU 43 HA GLU 43 6.098 -18.780 9.343 347 HB2 GLU 43 HB2 GLU 43 5.241 -16.656 8.653 348 HB3 GLU 43 HB3 GLU 43 6.983 -16.661 8.363 349 HG2 GLU 43 HG2 GLU 43 5.051 -17.280 6.116 350 HG3 GLU 43 HG3 GLU 43 5.246 -15.622 6.696 351 H THR 44 H THR 44 5.646 -20.038 6.310 352 HA THR 44 HA THR 44 3.002 -20.043 5.677 353 HB THR 44 HB THR 44 4.906 -21.308 4.519 354 HG1 THR 44 HG1 THR 44 2.863 -21.225 3.666 355 HG21 THR 44 HG23 THR 44 5.345 -22.905 6.404 356 HG22 THR 44 HG21 THR 44 3.790 -23.666 6.023 357 HG23 THR 44 HG22 THR 44 5.083 -23.647 4.811 358 H LEU 45 H LEU 45 1.227 -21.136 5.946 359 HA LEU 45 HA LEU 45 0.802 -22.599 8.482 360 HB2 LEU 45 HB2 LEU 45 -0.797 -20.868 9.217 361 HB3 LEU 45 HB3 LEU 45 0.842 -20.292 9.066 362 HG LEU 45 HG LEU 45 -0.349 -19.811 6.514 363 HD11 LEU 45 HD11 LEU 45 -2.126 -18.727 8.705 364 HD12 LEU 45 HD12 LEU 45 -2.315 -18.620 6.928 365 HD13 LEU 45 HD13 LEU 45 -2.517 -20.164 7.758 366 HD21 LEU 45 HD23 LEU 45 0.205 -17.865 8.752 367 HD22 LEU 45 HD21 LEU 45 1.360 -18.451 7.548 368 HD23 LEU 45 HD22 LEU 45 -0.015 -17.488 7.014 369 H LEU 46 H LEU 46 0.362 -23.093 5.414 370 HA LEU 46 HA LEU 46 -2.064 -24.555 5.440 371 HB2 LEU 46 HB2 LEU 46 -3.287 -22.890 3.794 372 HB3 LEU 46 HB3 LEU 46 -3.455 -22.790 5.509 373 HG LEU 46 HG LEU 46 -2.033 -20.938 5.731 374 HD11 LEU 46 HD11 LEU 46 -1.538 -20.606 2.782 375 HD12 LEU 46 HD12 LEU 46 -0.941 -19.654 4.134 376 HD13 LEU 46 HD13 LEU 46 -0.365 -21.309 3.895 377 HD21 LEU 46 HD23 LEU 46 -4.084 -20.591 3.605 378 HD22 LEU 46 HD21 LEU 46 -4.284 -20.578 5.376 379 HD23 LEU 46 HD22 LEU 46 -3.380 -19.281 4.588 380 H VAL 47 H VAL 47 -2.839 -25.257 3.247 381 HA VAL 47 HA VAL 47 -0.815 -25.136 1.119 382 HB VAL 47 HB VAL 47 -1.910 -27.758 2.200 383 HG11 VAL 47 HG11 VAL 47 0.163 -27.119 0.053 384 HG12 VAL 47 HG12 VAL 47 -0.189 -28.734 0.698 385 HG13 VAL 47 HG13 VAL 47 -1.437 -27.868 -0.192 386 HG21 VAL 47 HG23 VAL 47 0.887 -26.538 2.400 387 HG22 VAL 47 HG21 VAL 47 -0.245 -26.772 3.734 388 HG23 VAL 47 HG22 VAL 47 0.433 -28.181 2.908 389 H GLN 48 H GLN 48 -1.566 -25.366 -0.827 390 HA GLN 48 HA GLN 48 -4.082 -24.335 -1.387 391 HB2 GLN 48 HB2 GLN 48 -2.071 -25.711 -3.189 392 HB3 GLN 48 HB3 GLN 48 -3.457 -24.769 -3.775 393 HG2 GLN 48 HG2 GLN 48 -2.662 -22.759 -2.653 394 HG3 GLN 48 HG3 GLN 48 -1.363 -23.653 -1.864 395 HE21 GLN 48 HE22 GLN 48 -2.447 -22.259 -4.880 396 HE22 GLN 48 HE21 GLN 48 -0.883 -22.464 -5.688 397 H ASN 49 H ASN 49 -3.283 -27.765 -1.225 398 HA ASN 49 HA ASN 49 -5.622 -28.667 -2.692 399 HB2 ASN 49 HB2 ASN 49 -4.738 -30.877 -1.903 400 HB3 ASN 49 HB3 ASN 49 -3.619 -29.887 -2.832 401 HD21 ASN 49 HD22 ASN 49 -1.715 -30.837 -2.056 402 HD22 ASN 49 HD21 ASN 49 -1.254 -30.662 -0.359 403 H ALA 50 H ALA 50 -5.721 -27.014 -0.059 404 HA ALA 50 HA ALA 50 -7.193 -28.370 1.901 405 HB1 ALA 50 HB3 ALA 50 -6.353 -26.096 2.186 406 HB2 ALA 50 HB1 ALA 50 -7.449 -25.504 0.912 407 HB3 ALA 50 HB2 ALA 50 -8.109 -26.120 2.448 408 H ASN 51 H ASN 51 -9.459 -28.419 2.382 409 HA ASN 51 HA ASN 51 -11.390 -28.603 0.187 410 HB2 ASN 51 HB2 ASN 51 -11.349 -30.993 0.093 411 HB3 ASN 51 HB3 ASN 51 -9.690 -30.522 0.021 412 HD21 ASN 51 HD22 ASN 51 -10.748 -33.071 0.875 413 HD22 ASN 51 HD21 ASN 51 -10.060 -33.310 2.471 414 HA PRO 52 HA PRO 52 -14.101 -28.461 3.776 415 HB2 PRO 52 HB2 PRO 52 -15.634 -30.679 4.224 416 HB3 PRO 52 HB3 PRO 52 -15.891 -29.557 2.854 417 HG2 PRO 52 HG2 PRO 52 -14.430 -32.202 2.850 418 HG3 PRO 52 HG3 PRO 52 -15.625 -31.593 1.665 419 HD2 PRO 52 HD2 PRO 52 -12.942 -31.479 1.295 420 HD3 PRO 52 HD3 PRO 52 -14.024 -30.217 0.626 421 H ASP 53 H ASP 53 -12.171 -31.451 3.825 422 HA ASP 53 HA ASP 53 -12.583 -32.231 6.476 423 HB2 ASP 53 HB2 ASP 53 -11.636 -33.471 4.444 424 HB3 ASP 53 HB3 ASP 53 -10.078 -32.748 4.830 425 H CYS 54 H CYS 54 -9.458 -30.830 5.341 426 HA CYS 54 HA CYS 54 -8.321 -30.146 7.772 427 HB2 CYS 54 HB2 CYS 54 -7.337 -28.128 6.490 428 HB3 CYS 54 HB3 CYS 54 -6.933 -29.718 5.889 429 HG CYS 54 HG CYS 54 -8.723 -29.725 3.944 430 H LYS 55 H LYS 55 -10.269 -27.906 5.861 431 HA LYS 55 HA LYS 55 -10.522 -25.768 7.660 432 HB2 LYS 55 HB2 LYS 55 -12.261 -26.964 5.546 433 HB3 LYS 55 HB3 LYS 55 -12.966 -25.716 6.568 434 HG2 LYS 55 HG2 LYS 55 -11.472 -24.035 5.891 435 HG3 LYS 55 HG3 LYS 55 -10.242 -25.180 5.337 436 HD2 LYS 55 HD2 LYS 55 -11.345 -25.709 3.377 437 HD3 LYS 55 HD3 LYS 55 -12.903 -25.032 3.899 438 HE2 LYS 55 HE2 LYS 55 -10.373 -23.455 3.248 439 HE3 LYS 55 HE3 LYS 55 -11.747 -23.688 2.167 440 HZ1 LYS 55 HZ3 LYS 55 -13.120 -22.450 3.850 441 HZ2 LYS 55 HZ1 LYS 55 -11.724 -22.054 4.649 442 HZ3 LYS 55 HZ2 LYS 55 -11.968 -21.533 3.171 443 H THR 56 H THR 56 -12.805 -28.560 7.570 444 HA THR 56 HA THR 56 -14.389 -27.787 9.796 445 HB THR 56 HB THR 56 -13.685 -30.593 8.844 446 HG1 THR 56 HG1 THR 56 -14.567 -29.623 7.165 447 HG21 THR 56 HG23 THR 56 -14.855 -30.706 10.987 448 HG22 THR 56 HG21 THR 56 -16.077 -29.544 10.412 449 HG23 THR 56 HG22 THR 56 -15.956 -31.161 9.679 450 H ILE 57 H ILE 57 -11.180 -29.065 9.681 451 HA ILE 57 HA ILE 57 -11.266 -29.967 12.528 452 HB ILE 57 HB ILE 57 -9.149 -30.374 10.412 453 HG12 ILE 57 HG12 ILE 57 -10.893 -32.506 11.701 454 HG13 ILE 57 HG13 ILE 57 -11.494 -31.606 10.320 455 HG21 ILE 57 HG21 ILE 57 -9.345 -31.397 13.290 456 HG22 ILE 57 HG22 ILE 57 -8.207 -32.024 12.086 457 HG23 ILE 57 HG23 ILE 57 -8.066 -30.358 12.617 458 HD11 ILE 57 HD13 ILE 57 -9.473 -32.204 9.012 459 HD12 ILE 57 HD11 ILE 57 -8.950 -33.262 10.340 460 HD13 ILE 57 HD12 ILE 57 -10.468 -33.599 9.478 461 H LEU 58 H LEU 58 -8.685 -28.171 10.649 462 HA LEU 58 HA LEU 58 -7.462 -27.192 12.975 463 HB2 LEU 58 HB2 LEU 58 -7.428 -25.835 10.239 464 HB3 LEU 58 HB3 LEU 58 -6.304 -25.587 11.574 465 HG LEU 58 HG LEU 58 -5.835 -28.146 11.340 466 HD11 LEU 58 HD11 LEU 58 -7.066 -27.460 8.685 467 HD12 LEU 58 HD12 LEU 58 -5.860 -28.783 8.846 468 HD13 LEU 58 HD13 LEU 58 -7.360 -28.860 9.750 469 HD21 LEU 58 HD23 LEU 58 -4.929 -25.856 9.549 470 HD22 LEU 58 HD21 LEU 58 -4.072 -26.593 10.938 471 HD23 LEU 58 HD22 LEU 58 -4.174 -27.442 9.385 472 H LYS 59 H LYS 59 -10.291 -25.874 11.337 473 HA LYS 59 HA LYS 59 -10.413 -23.353 12.604 474 HB2 LYS 59 HB2 LYS 59 -12.463 -25.345 11.697 475 HB3 LYS 59 HB3 LYS 59 -12.925 -23.807 12.407 476 HG2 LYS 59 HG2 LYS 59 -12.718 -23.753 9.894 477 HG3 LYS 59 HG3 LYS 59 -11.913 -22.532 10.859 478 HD2 LYS 59 HD2 LYS 59 -10.108 -24.656 9.751 479 HD3 LYS 59 HD3 LYS 59 -10.863 -23.514 8.681 480 HE2 LYS 59 HE2 LYS 59 -9.124 -22.220 9.082 481 HE3 LYS 59 HE3 LYS 59 -10.083 -21.716 10.451 482 HZ1 LYS 59 HZ3 LYS 59 -8.744 -23.268 11.832 483 HZ2 LYS 59 HZ1 LYS 59 -7.831 -23.639 10.520 484 HZ3 LYS 59 HZ2 LYS 59 -7.846 -22.110 11.102 485 H ALA 60 H ALA 60 -11.009 -26.458 14.073 486 HA ALA 60 HA ALA 60 -11.298 -25.122 16.734 487 HB1 ALA 60 HB3 ALA 60 -13.085 -26.716 16.109 488 HB2 ALA 60 HB1 ALA 60 -11.866 -27.990 15.864 489 HB3 ALA 60 HB2 ALA 60 -12.132 -27.311 17.484 490 H LEU 61 H LEU 61 -8.904 -26.352 14.751 491 HA LEU 61 HA LEU 61 -7.170 -27.200 17.003 492 HB2 LEU 61 HB2 LEU 61 -8.347 -28.864 15.127 493 HB3 LEU 61 HB3 LEU 61 -6.775 -28.635 14.430 494 HG LEU 61 HG LEU 61 -7.186 -29.429 17.350 495 HD11 LEU 61 HD11 LEU 61 -6.828 -31.200 14.913 496 HD12 LEU 61 HD12 LEU 61 -6.706 -31.755 16.600 497 HD13 LEU 61 HD13 LEU 61 -8.237 -31.120 15.977 498 HD21 LEU 61 HD23 LEU 61 -4.784 -29.688 15.490 499 HD22 LEU 61 HD21 LEU 61 -4.942 -28.547 16.839 500 HD23 LEU 61 HD22 LEU 61 -4.875 -30.287 17.160 501 H GLY 62 H GLY 62 -6.902 -24.748 16.572 502 HA2 GLY 62 HA2 GLY 62 -4.383 -24.392 14.961 503 HA3 GLY 62 HA3 GLY 62 -5.529 -23.102 15.285 504 HA PRO 63 HA PRO 63 -3.526 -23.528 19.568 505 HB2 PRO 63 HB2 PRO 63 -2.280 -25.735 20.515 506 HB3 PRO 63 HB3 PRO 63 -4.048 -25.714 20.281 507 HG2 PRO 63 HG2 PRO 63 -1.958 -26.743 18.316 508 HG3 PRO 63 HG3 PRO 63 -3.364 -27.640 18.985 509 HD2 PRO 63 HD2 PRO 63 -3.524 -26.344 16.599 510 HD3 PRO 63 HD3 PRO 63 -4.893 -26.365 17.758 511 H ALA 64 H ALA 64 -2.222 -22.732 17.167 512 HA ALA 64 HA ALA 64 -0.289 -22.022 16.229 513 HB1 ALA 64 HB3 ALA 64 -0.641 -20.605 18.208 514 HB2 ALA 64 HB1 ALA 64 0.446 -21.658 19.148 515 HB3 ALA 64 HB2 ALA 64 1.074 -20.734 17.770 516 H ALA 65 H ALA 65 0.013 -25.047 17.414 517 HA ALA 65 HA ALA 65 2.757 -25.291 16.218 518 HB1 ALA 65 HB3 ALA 65 2.911 -25.425 18.667 519 HB2 ALA 65 HB1 ALA 65 1.690 -26.716 18.701 520 HB3 ALA 65 HB2 ALA 65 3.265 -26.991 17.919 521 H THR 66 H THR 66 0.127 -27.619 17.281 522 HA THR 66 HA THR 66 0.700 -29.578 15.478 523 HB THR 66 HB THR 66 -2.216 -29.019 15.977 524 HG1 THR 66 HG1 THR 66 -1.714 -30.107 18.047 525 HG21 THR 66 HG23 THR 66 -1.543 -31.154 14.894 526 HG22 THR 66 HG21 THR 66 -0.481 -31.516 16.259 527 HG23 THR 66 HG22 THR 66 -2.248 -31.441 16.486 528 H LEU 67 H LEU 67 -0.667 -26.576 14.482 529 HA LEU 67 HA LEU 67 -1.990 -27.275 12.053 530 HB2 LEU 67 HB2 LEU 67 -1.787 -25.112 13.221 531 HB3 LEU 67 HB3 LEU 67 -0.146 -24.953 12.650 532 HG LEU 67 HG LEU 67 -2.754 -24.555 11.103 533 HD11 LEU 67 HD11 LEU 67 0.016 -23.284 11.066 534 HD12 LEU 67 HD12 LEU 67 -1.472 -22.651 10.302 535 HD13 LEU 67 HD13 LEU 67 -1.332 -22.704 12.074 536 HD21 LEU 67 HD23 LEU 67 -0.234 -25.427 9.778 537 HD22 LEU 67 HD21 LEU 67 -1.858 -26.238 9.803 538 HD23 LEU 67 HD22 LEU 67 -1.621 -24.675 9.001 539 H GLU 68 H GLU 68 1.509 -26.763 12.713 540 HA GLU 68 HA GLU 68 2.560 -26.989 10.206 541 HB2 GLU 68 HB2 GLU 68 3.640 -28.442 12.676 542 HB3 GLU 68 HB3 GLU 68 4.553 -28.112 11.188 543 HG2 GLU 68 HG2 GLU 68 4.034 -25.675 11.509 544 HG3 GLU 68 HG3 GLU 68 3.338 -26.116 13.068 545 H GLU 69 H GLU 69 1.290 -29.736 11.935 546 HA GLU 69 HA GLU 69 1.863 -31.516 9.589 547 HB2 GLU 69 HB2 GLU 69 0.548 -33.241 10.666 548 HB3 GLU 69 HB3 GLU 69 1.868 -32.629 11.670 549 HG2 GLU 69 HG2 GLU 69 0.467 -31.597 13.203 550 HG3 GLU 69 HG3 GLU 69 -0.928 -31.602 12.117 551 H MET 70 H MET 70 -0.993 -29.939 10.987 552 HA MET 70 HA MET 70 -2.941 -31.158 9.200 553 HB2 MET 70 HB2 MET 70 -3.216 -28.670 10.824 554 HB3 MET 70 HB3 MET 70 -4.510 -29.760 10.220 555 HG2 MET 70 HG2 MET 70 -2.948 -31.377 11.757 556 HG3 MET 70 HG3 MET 70 -2.823 -29.779 12.553 557 HE1 MET 70 HE3 MET 70 -4.223 -33.005 12.828 558 HE2 MET 70 HE1 MET 70 -3.789 -32.088 14.278 559 HE3 MET 70 HE2 MET 70 -5.448 -32.696 14.067 560 H MET 71 H MET 71 -0.896 -28.540 8.866 561 HA MET 71 HA MET 71 -1.756 -26.756 6.928 562 HB2 MET 71 HB2 MET 71 0.390 -26.788 8.086 563 HB3 MET 71 HB3 MET 71 0.847 -28.307 7.348 564 HG2 MET 71 HG2 MET 71 1.148 -27.265 5.204 565 HG3 MET 71 HG3 MET 71 0.530 -25.719 5.781 566 HE1 MET 71 HE3 MET 71 1.878 -24.236 7.622 567 HE2 MET 71 HE1 MET 71 2.020 -25.576 8.771 568 HE3 MET 71 HE2 MET 71 3.464 -24.674 8.290 569 H THR 72 H THR 72 -0.435 -29.993 6.498 570 HA THR 72 HA THR 72 -1.323 -30.141 3.664 571 HB THR 72 HB THR 72 0.751 -31.810 5.014 572 HG1 THR 72 HG1 THR 72 2.334 -30.117 4.279 573 HG21 THR 72 HG23 THR 72 0.321 -32.401 2.716 574 HG22 THR 72 HG21 THR 72 0.478 -30.715 2.175 575 HG23 THR 72 HG22 THR 72 1.894 -31.618 2.780 576 H ALA 73 H ALA 73 -1.521 -31.836 6.791 577 HA ALA 73 HA ALA 73 -1.688 -34.451 6.025 578 HB1 ALA 73 HB3 ALA 73 -1.772 -33.605 8.349 579 HB2 ALA 73 HB1 ALA 73 -3.460 -33.086 8.095 580 HB3 ALA 73 HB2 ALA 73 -3.040 -34.809 8.046 581 H CYS 74 H CYS 74 -4.187 -32.078 5.367 582 HA CYS 74 HA CYS 74 -6.363 -33.962 4.911 583 HB2 CYS 74 HB2 CYS 74 -7.509 -32.039 3.907 584 HB3 CYS 74 HB3 CYS 74 -6.754 -31.654 5.467 585 HG CYS 74 HG CYS 74 -5.727 -30.979 2.346 586 H GLN 75 H GLN 75 -3.636 -33.225 2.938 587 HA GLN 75 HA GLN 75 -4.661 -33.305 0.367 588 HB2 GLN 75 HB2 GLN 75 -2.432 -33.768 -0.330 589 HB3 GLN 75 HB3 GLN 75 -2.411 -32.690 1.074 590 HG2 GLN 75 HG2 GLN 75 -0.650 -34.140 1.539 591 HG3 GLN 75 HG3 GLN 75 -1.954 -34.820 2.496 592 HE21 GLN 75 HE22 GLN 75 -1.782 -37.060 2.438 593 HE22 GLN 75 HE21 GLN 75 -1.311 -37.929 0.969 594 H GLY 76 H GLY 76 -4.517 -36.021 2.467 595 HA2 GLY 76 HA2 GLY 76 -5.216 -37.905 0.222 596 HA3 GLY 76 HA3 GLY 76 -4.323 -38.399 1.662 597 H VAL 77 H VAL 77 -6.800 -36.079 2.234 598 HA VAL 77 HA VAL 77 -8.653 -38.163 3.315 599 HB VAL 77 HB VAL 77 -7.813 -35.735 4.926 600 HG11 VAL 77 HG11 VAL 77 -9.281 -38.315 5.687 601 HG12 VAL 77 HG12 VAL 77 -8.956 -36.914 6.736 602 HG13 VAL 77 HG13 VAL 77 -10.069 -36.750 5.391 603 HG21 VAL 77 HG23 VAL 77 -6.840 -38.619 5.146 604 HG22 VAL 77 HG21 VAL 77 -5.848 -37.183 4.791 605 HG23 VAL 77 HG22 VAL 77 -6.597 -37.355 6.376 606 H GLY 78 H GLY 78 -10.162 -37.847 1.884 607 HA2 GLY 78 HA2 GLY 78 -12.360 -36.697 1.672 608 HA3 GLY 78 HA3 GLY 78 -11.510 -35.161 1.638 609 H GLY 79 H GLY 79 -10.176 -37.894 -0.139 610 HA2 GLY 79 HA2 GLY 79 -11.480 -37.497 -2.655 611 HA3 GLY 79 HA3 GLY 79 -9.925 -36.655 -2.617 612 HA PRO 80 HA PRO 80 -9.579 -41.253 -3.676 613 HB2 PRO 80 HB2 PRO 80 -8.450 -41.131 -6.180 614 HB3 PRO 80 HB3 PRO 80 -10.200 -40.958 -5.863 615 HG2 PRO 80 HG2 PRO 80 -8.150 -38.747 -6.211 616 HG3 PRO 80 HG3 PRO 80 -9.737 -38.922 -7.032 617 HD2 PRO 80 HD2 PRO 80 -9.440 -37.344 -4.841 618 HD3 PRO 80 HD3 PRO 80 -10.918 -38.326 -5.069 619 H GLY 81 H GLY 81 -7.341 -38.989 -2.795 620 HA2 GLY 81 HA2 GLY 81 -4.851 -40.157 -3.666 621 HA3 GLY 81 HA3 GLY 81 -5.072 -38.885 -2.470 622 H HIS 82 H HIS 82 -6.806 -41.682 -1.587 623 HA HIS 82 HA HIS 82 -5.514 -42.052 0.845 624 HB2 HIS 82 HB2 HIS 82 -6.880 -43.937 1.156 625 HB3 HIS 82 HB3 HIS 82 -7.806 -42.889 0.092 626 HD2 HIS 82 HD2 HIS 82 -6.601 -43.714 -2.744 627 HE1 HIS 82 HE1 HIS 82 -7.714 -47.702 -1.741 628 HE2 HIS 82 HE2 HIS 82 -7.159 -46.112 -3.657 629 H LYS 83 H LYS 83 -4.243 -43.177 -2.135 630 HA LYS 83 HA LYS 83 -2.045 -44.601 -0.768 631 HB2 LYS 83 HB2 LYS 83 -3.566 -45.575 -3.210 632 HB3 LYS 83 HB3 LYS 83 -2.087 -46.334 -2.594 633 HG2 LYS 83 HG2 LYS 83 -4.751 -46.195 -1.179 634 HG3 LYS 83 HG3 LYS 83 -4.113 -47.606 -1.995 635 HD2 LYS 83 HD2 LYS 83 -2.413 -47.945 -0.363 636 HD3 LYS 83 HD3 LYS 83 -2.622 -46.350 0.348 637 HE2 LYS 83 HE2 LYS 83 -4.660 -48.610 0.465 638 HE3 LYS 83 HE3 LYS 83 -3.579 -48.090 1.769 639 HZ1 LYS 83 HZ3 LYS 83 -5.638 -47.004 2.165 640 HZ2 LYS 83 HZ1 LYS 83 -4.673 -45.832 1.494 641 HZ3 LYS 83 HZ2 LYS 83 -5.826 -46.552 0.600 642 H ALA 84 H ALA 84 -2.010 -41.960 -1.505 643 HA ALA 84 HA ALA 84 -1.248 -41.017 -3.885 644 HB1 ALA 84 HB3 ALA 84 -1.319 -39.721 -1.805 645 HB2 ALA 84 HB1 ALA 84 0.181 -40.501 -1.250 646 HB3 ALA 84 HB2 ALA 84 0.202 -39.433 -2.667 647 H ARG 85 H ARG 85 0.156 -41.384 -5.458 648 HA ARG 85 HA ARG 85 2.023 -43.588 -5.168 649 HB2 ARG 85 HB2 ARG 85 0.583 -43.506 -7.114 650 HB3 ARG 85 HB3 ARG 85 1.131 -41.884 -7.527 651 HG2 ARG 85 HG2 ARG 85 2.088 -43.557 -9.037 652 HG3 ARG 85 HG3 ARG 85 3.319 -42.689 -8.155 653 HD2 ARG 85 HD2 ARG 85 3.235 -44.762 -6.504 654 HD3 ARG 85 HD3 ARG 85 2.391 -45.558 -7.840 655 HE ARG 85 HE ARG 85 5.077 -44.250 -8.203 656 HH11 ARG 85 HH11 ARG 85 3.353 -47.286 -8.085 657 HH12 ARG 85 HH12 ARG 85 4.775 -48.187 -8.580 658 HH21 ARG 85 HH21 ARG 85 6.790 -45.436 -8.791 659 HH22 ARG 85 HH22 ARG 85 6.723 -47.161 -8.829 660 H VAL 86 H VAL 86 3.895 -43.218 -4.233 661 HA VAL 86 HA VAL 86 5.640 -40.939 -4.588 662 HB VAL 86 HB VAL 86 7.422 -42.474 -3.769 663 HG11 VAL 86 HG11 VAL 86 4.869 -42.639 -2.127 664 HG12 VAL 86 HG12 VAL 86 6.535 -42.822 -1.539 665 HG13 VAL 86 HG13 VAL 86 5.989 -41.262 -2.179 666 HG21 VAL 86 HG23 VAL 86 5.257 -44.627 -3.655 667 HG22 VAL 86 HG21 VAL 86 6.629 -44.604 -4.791 668 HG23 VAL 86 HG22 VAL 86 6.921 -44.745 -3.055 669 H LEU 87 H LEU 87 8.023 -41.599 -5.582 670 HA LEU 87 HA LEU 87 7.824 -41.693 -8.395 671 HB2 LEU 87 HB2 LEU 87 9.756 -40.881 -7.030 672 HB3 LEU 87 HB3 LEU 87 10.143 -42.543 -6.601 673 HG LEU 87 HG LEU 87 11.565 -41.435 -8.348 674 HD11 LEU 87 HD11 LEU 87 10.238 -43.962 -9.371 675 HD12 LEU 87 HD12 LEU 87 11.865 -43.365 -9.731 676 HD13 LEU 87 HD13 LEU 87 11.462 -43.909 -8.089 677 HD21 LEU 87 HD23 LEU 87 9.205 -41.883 -10.205 678 HD22 LEU 87 HD21 LEU 87 9.731 -40.299 -9.592 679 HD23 LEU 87 HD22 LEU 87 10.806 -41.255 -10.634 Start of MODEL 22 1 H1 MET 1 H1 MET 1 -0.843 -3.131 4.987 2 H2 MET 1 H2 MET 1 -1.444 -1.648 4.655 3 H3 MET 1 H3 MET 1 0.116 -1.827 5.194 4 HA MET 1 HA MET 1 -0.964 -2.918 2.689 5 HB2 MET 1 HB2 MET 1 0.895 -0.512 2.971 6 HB3 MET 1 HB3 MET 1 0.406 -1.288 1.461 7 HG2 MET 1 HG2 MET 1 -0.956 0.623 1.670 8 HG3 MET 1 HG3 MET 1 -1.996 -0.753 2.042 9 HE1 MET 1 HE3 MET 1 -2.821 2.257 2.637 10 HE2 MET 1 HE1 MET 1 -3.842 0.860 3.059 11 HE3 MET 1 HE2 MET 1 -3.497 2.110 4.274 12 H SER 2 H SER 2 2.159 -2.067 4.259 13 HA SER 2 HA SER 2 4.076 -3.085 4.516 14 HB2 SER 2 HB2 SER 2 2.471 -5.634 4.247 15 HB3 SER 2 HB3 SER 2 4.127 -5.515 4.865 16 HG SER 2 HG SER 2 1.714 -4.662 5.995 17 HA PRO 3 HA PRO 3 5.953 -4.161 0.532 18 HB2 PRO 3 HB2 PRO 3 8.524 -4.608 1.359 19 HB3 PRO 3 HB3 PRO 3 7.833 -2.967 1.172 20 HG2 PRO 3 HG2 PRO 3 8.151 -4.584 3.713 21 HG3 PRO 3 HG3 PRO 3 8.513 -2.853 3.442 22 HD2 PRO 3 HD2 PRO 3 6.184 -3.745 4.598 23 HD3 PRO 3 HD3 PRO 3 6.251 -2.258 3.605 24 H THR 4 H THR 4 6.559 -6.009 3.545 25 HA THR 4 HA THR 4 6.542 -8.646 2.258 26 HB THR 4 HB THR 4 6.520 -9.409 4.656 27 HG1 THR 4 HG1 THR 4 5.445 -7.747 5.581 28 HG21 THR 4 HG23 THR 4 8.696 -8.939 3.542 29 HG22 THR 4 HG21 THR 4 8.628 -7.264 4.139 30 HG23 THR 4 HG22 THR 4 8.731 -8.616 5.285 31 H SER 5 H SER 5 4.429 -7.686 1.170 32 HA SER 5 HA SER 5 2.102 -7.022 2.489 33 HB2 SER 5 HB2 SER 5 2.121 -8.668 -0.037 34 HB3 SER 5 HB3 SER 5 0.897 -7.512 0.491 35 HG SER 5 HG SER 5 2.783 -5.936 0.456 36 H ILE 6 H ILE 6 3.275 -10.303 2.263 37 HA ILE 6 HA ILE 6 0.886 -11.759 2.506 38 HB ILE 6 HB ILE 6 2.540 -13.134 2.221 39 HG12 ILE 6 HG12 ILE 6 3.068 -14.562 4.096 40 HG13 ILE 6 HG13 ILE 6 2.849 -13.268 5.237 41 HG21 ILE 6 HG21 ILE 6 4.558 -11.798 4.020 42 HG22 ILE 6 HG22 ILE 6 4.818 -13.211 2.951 43 HG23 ILE 6 HG23 ILE 6 4.461 -11.673 2.239 44 HD11 ILE 6 HD13 ILE 6 0.610 -13.539 5.321 45 HD12 ILE 6 HD11 ILE 6 0.455 -13.810 3.572 46 HD13 ILE 6 HD12 ILE 6 0.952 -15.149 4.660 47 H LEU 7 H LEU 7 2.861 -10.477 5.204 48 HA LEU 7 HA LEU 7 0.948 -11.416 7.166 49 HB2 LEU 7 HB2 LEU 7 3.313 -9.517 7.373 50 HB3 LEU 7 HB3 LEU 7 2.439 -10.190 8.751 51 HG LEU 7 HG LEU 7 4.025 -11.823 6.720 52 HD11 LEU 7 HD11 LEU 7 4.587 -11.137 9.632 53 HD12 LEU 7 HD12 LEU 7 5.591 -12.136 8.558 54 HD13 LEU 7 HD13 LEU 7 5.396 -10.411 8.220 55 HD21 LEU 7 HD23 LEU 7 2.550 -12.630 9.272 56 HD22 LEU 7 HD21 LEU 7 2.205 -13.204 7.624 57 HD23 LEU 7 HD22 LEU 7 3.714 -13.657 8.424 58 H ASP 8 H ASP 8 0.348 -9.166 5.091 59 HA ASP 8 HA ASP 8 -0.783 -7.043 6.866 60 HB2 ASP 8 HB2 ASP 8 0.560 -6.812 4.523 61 HB3 ASP 8 HB3 ASP 8 -1.066 -6.994 3.873 62 H ILE 9 H ILE 9 -1.640 -9.856 5.027 63 HA ILE 9 HA ILE 9 -4.559 -9.360 5.308 64 HB ILE 9 HB ILE 9 -3.592 -12.002 4.361 65 HG12 ILE 9 HG12 ILE 9 -3.330 -9.567 2.569 66 HG13 ILE 9 HG13 ILE 9 -2.028 -10.629 3.119 67 HG21 ILE 9 HG21 ILE 9 -5.725 -10.136 3.249 68 HG22 ILE 9 HG22 ILE 9 -5.585 -11.876 2.965 69 HG23 ILE 9 HG23 ILE 9 -6.057 -11.281 4.550 70 HD11 ILE 9 HD13 ILE 9 -3.122 -12.543 1.920 71 HD12 ILE 9 HD11 ILE 9 -4.252 -11.366 1.200 72 HD13 ILE 9 HD12 ILE 9 -2.517 -11.237 0.878 73 H ARG 10 H ARG 10 -5.722 -11.350 6.252 74 HA ARG 10 HA ARG 10 -5.375 -11.644 8.920 75 HB2 ARG 10 HB2 ARG 10 -7.106 -13.360 8.809 76 HB3 ARG 10 HB3 ARG 10 -7.401 -12.078 7.656 77 HG2 ARG 10 HG2 ARG 10 -7.931 -13.941 6.444 78 HG3 ARG 10 HG3 ARG 10 -6.320 -13.608 5.863 79 HD2 ARG 10 HD2 ARG 10 -5.554 -15.638 6.510 80 HD3 ARG 10 HD3 ARG 10 -6.213 -15.480 8.133 81 HE ARG 10 HE ARG 10 -7.648 -16.550 5.740 82 HH11 ARG 10 HH11 ARG 10 -7.544 -16.378 9.237 83 HH12 ARG 10 HH12 ARG 10 -9.181 -16.904 9.415 84 HH21 ARG 10 HH21 ARG 10 -9.765 -17.196 6.027 85 HH22 ARG 10 HH22 ARG 10 -10.405 -17.387 7.629 86 H GLN 11 H GLN 11 -3.000 -12.954 7.251 87 HA GLN 11 HA GLN 11 -1.499 -14.688 7.382 88 HB2 GLN 11 HB2 GLN 11 -0.197 -14.145 9.404 89 HB3 GLN 11 HB3 GLN 11 -0.653 -12.824 8.322 90 HG2 GLN 11 HG2 GLN 11 -2.326 -12.029 9.926 91 HG3 GLN 11 HG3 GLN 11 -1.999 -13.413 10.985 92 HE21 GLN 11 HE22 GLN 11 -0.395 -10.434 9.527 93 HE22 GLN 11 HE21 GLN 11 0.660 -10.291 10.913 94 H GLY 12 H GLY 12 -4.006 -15.671 8.876 95 HA2 GLY 12 HA2 GLY 12 -2.900 -18.245 9.899 96 HA3 GLY 12 HA3 GLY 12 -4.075 -17.281 10.839 97 HA PRO 13 HA PRO 13 -6.513 -18.963 7.010 98 HB2 PRO 13 HB2 PRO 13 -5.245 -20.148 4.943 99 HB3 PRO 13 HB3 PRO 13 -5.115 -18.384 5.231 100 HG2 PRO 13 HG2 PRO 13 -3.181 -20.527 6.236 101 HG3 PRO 13 HG3 PRO 13 -2.790 -19.105 5.204 102 HD2 PRO 13 HD2 PRO 13 -2.528 -19.053 7.873 103 HD3 PRO 13 HD3 PRO 13 -3.097 -17.621 6.953 104 H LYS 14 H LYS 14 -5.859 -20.240 9.351 105 HA LYS 14 HA LYS 14 -5.037 -22.852 9.492 106 HB2 LYS 14 HB2 LYS 14 -5.644 -21.489 11.386 107 HB3 LYS 14 HB3 LYS 14 -7.360 -21.634 11.032 108 HG2 LYS 14 HG2 LYS 14 -5.785 -24.182 11.426 109 HG3 LYS 14 HG3 LYS 14 -5.992 -23.158 12.828 110 HD2 LYS 14 HD2 LYS 14 -8.048 -23.891 13.205 111 HD3 LYS 14 HD3 LYS 14 -8.586 -23.434 11.597 112 HE2 LYS 14 HE2 LYS 14 -7.740 -25.601 10.696 113 HE3 LYS 14 HE3 LYS 14 -7.207 -26.070 12.306 114 HZ1 LYS 14 HZ3 LYS 14 -9.444 -26.243 13.016 115 HZ2 LYS 14 HZ1 LYS 14 -10.057 -25.360 11.779 116 HZ3 LYS 14 HZ2 LYS 14 -9.517 -26.827 11.466 117 H GLU 15 H GLU 15 -7.984 -22.054 7.881 118 HA GLU 15 HA GLU 15 -8.297 -24.945 7.248 119 HB2 GLU 15 HB2 GLU 15 -10.673 -23.081 7.572 120 HB3 GLU 15 HB3 GLU 15 -10.676 -24.795 7.095 121 HG2 GLU 15 HG2 GLU 15 -9.453 -25.268 9.286 122 HG3 GLU 15 HG3 GLU 15 -9.792 -23.593 9.746 123 HA PRO 16 HA PRO 16 -9.204 -22.598 3.237 124 HB2 PRO 16 HB2 PRO 16 -8.596 -19.913 2.982 125 HB3 PRO 16 HB3 PRO 16 -10.184 -20.571 3.451 126 HG2 PRO 16 HG2 PRO 16 -7.963 -19.541 5.215 127 HG3 PRO 16 HG3 PRO 16 -9.719 -19.163 5.271 128 HD2 PRO 16 HD2 PRO 16 -8.604 -20.971 6.912 129 HD3 PRO 16 HD3 PRO 16 -10.238 -21.230 6.242 130 H PHE 17 H PHE 17 -6.820 -23.854 4.302 131 HA PHE 17 HA PHE 17 -4.348 -22.974 3.591 132 HB2 PHE 17 HB2 PHE 17 -5.629 -25.528 3.812 133 HB3 PHE 17 HB3 PHE 17 -4.750 -25.577 2.328 134 HD1 PHE 17 HD2 PHE 17 -4.011 -24.114 5.742 135 HD2 PHE 17 HD1 PHE 17 -2.745 -26.764 2.560 136 HE1 PHE 17 HE2 PHE 17 -1.918 -24.643 6.977 137 HE2 PHE 17 HE1 PHE 17 -0.673 -27.295 3.834 138 HZ PHE 17 HZ PHE 17 -0.302 -26.244 6.062 139 H ARG 18 H ARG 18 -6.311 -24.627 1.152 140 HA ARG 18 HA ARG 18 -5.071 -23.888 -1.246 141 HB2 ARG 18 HB2 ARG 18 -7.871 -23.984 -1.781 142 HB3 ARG 18 HB3 ARG 18 -6.654 -25.195 -2.041 143 HG2 ARG 18 HG2 ARG 18 -8.420 -26.240 -0.862 144 HG3 ARG 18 HG3 ARG 18 -7.074 -26.115 0.250 145 HD2 ARG 18 HD2 ARG 18 -8.488 -23.791 0.823 146 HD3 ARG 18 HD3 ARG 18 -9.795 -24.857 0.333 147 HE ARG 18 HE ARG 18 -8.604 -24.807 2.862 148 HH11 ARG 18 HH11 ARG 18 -9.562 -27.424 0.745 149 HH12 ARG 18 HH12 ARG 18 -9.401 -28.582 2.040 150 HH21 ARG 18 HH21 ARG 18 -8.467 -26.251 4.353 151 HH22 ARG 18 HH22 ARG 18 -8.489 -27.966 4.006 152 H ASP 19 H ASP 19 -7.875 -22.298 0.122 153 HA ASP 19 HA ASP 19 -8.130 -20.234 -1.796 154 HB2 ASP 19 HB2 ASP 19 -10.045 -20.812 -0.577 155 HB3 ASP 19 HB3 ASP 19 -9.215 -20.744 0.970 156 H TYR 20 H TYR 20 -6.099 -20.302 1.104 157 HA TYR 20 HA TYR 20 -5.386 -17.447 0.612 158 HB2 TYR 20 HB2 TYR 20 -6.012 -18.317 2.875 159 HB3 TYR 20 HB3 TYR 20 -4.554 -19.304 2.834 160 HD1 TYR 20 HD1 TYR 20 -5.888 -15.850 3.014 161 HD2 TYR 20 HD2 TYR 20 -2.327 -18.278 3.085 162 HE1 TYR 20 HE1 TYR 20 -4.629 -13.983 4.074 163 HE2 TYR 20 HE2 TYR 20 -1.087 -16.433 4.213 164 HH TYR 20 HH TYR 20 -2.470 -13.240 4.735 165 H VAL 21 H VAL 21 -3.896 -20.721 0.474 166 HA VAL 21 HA VAL 21 -1.228 -19.858 0.358 167 HB VAL 21 HB VAL 21 -1.725 -22.228 0.595 168 HG11 VAL 21 HG11 VAL 21 -2.287 -22.473 -2.347 169 HG12 VAL 21 HG12 VAL 21 -2.163 -23.759 -1.113 170 HG13 VAL 21 HG13 VAL 21 -3.469 -22.595 -1.049 171 HG21 VAL 21 HG23 VAL 21 0.473 -21.204 -0.387 172 HG22 VAL 21 HG21 VAL 21 0.177 -22.936 -0.374 173 HG23 VAL 21 HG22 VAL 21 -0.055 -21.985 -1.868 174 H ASP 22 H ASP 22 -3.444 -20.326 -2.487 175 HA ASP 22 HA ASP 22 -1.379 -19.688 -4.310 176 HB2 ASP 22 HB2 ASP 22 -4.342 -19.870 -4.250 177 HB3 ASP 22 HB3 ASP 22 -3.681 -18.874 -5.510 178 H ARG 23 H ARG 23 -3.657 -17.608 -2.758 179 HA ARG 23 HA ARG 23 -2.965 -15.043 -3.825 180 HB2 ARG 23 HB2 ARG 23 -3.876 -15.133 -0.962 181 HB3 ARG 23 HB3 ARG 23 -4.499 -14.191 -2.308 182 HG2 ARG 23 HG2 ARG 23 -5.033 -17.097 -1.702 183 HG3 ARG 23 HG3 ARG 23 -6.038 -15.705 -1.299 184 HD2 ARG 23 HD2 ARG 23 -5.886 -15.226 -3.889 185 HD3 ARG 23 HD3 ARG 23 -5.522 -16.969 -3.991 186 HE ARG 23 HE ARG 23 -7.588 -16.426 -2.130 187 HH11 ARG 23 HH11 ARG 23 -7.097 -17.219 -5.463 188 HH12 ARG 23 HH12 ARG 23 -8.635 -18.028 -5.629 189 HH21 ARG 23 HH21 ARG 23 -9.545 -17.571 -2.335 190 HH22 ARG 23 HH22 ARG 23 -10.004 -18.168 -3.884 191 H PHE 24 H PHE 24 -1.713 -16.743 -0.974 192 HA PHE 24 HA PHE 24 0.084 -14.528 -0.271 193 HB2 PHE 24 HB2 PHE 24 -0.692 -15.790 1.549 194 HB3 PHE 24 HB3 PHE 24 -0.423 -17.323 0.708 195 HD1 PHE 24 HD2 PHE 24 2.224 -14.678 0.908 196 HD2 PHE 24 HD1 PHE 24 0.715 -18.346 2.517 197 HE1 PHE 24 HE2 PHE 24 4.416 -15.119 1.922 198 HE2 PHE 24 HE1 PHE 24 2.916 -18.849 3.449 199 HZ PHE 24 HZ PHE 24 4.851 -17.242 3.129 200 H TYR 25 H TYR 25 0.686 -17.885 -1.525 201 HA TYR 25 HA TYR 25 3.475 -17.536 -1.720 202 HB2 TYR 25 HB2 TYR 25 1.585 -19.534 -2.821 203 HB3 TYR 25 HB3 TYR 25 3.137 -19.353 -3.620 204 HD1 TYR 25 HD1 TYR 25 2.566 -19.057 0.094 205 HD2 TYR 25 HD2 TYR 25 4.143 -21.421 -3.143 206 HE1 TYR 25 HE1 TYR 25 3.739 -20.516 1.706 207 HE2 TYR 25 HE2 TYR 25 5.392 -22.833 -1.502 208 HH TYR 25 HH TYR 25 4.940 -22.548 1.962 209 H LYS 26 H LYS 26 0.995 -16.580 -4.029 210 HA LYS 26 HA LYS 26 2.443 -15.665 -6.215 211 HB2 LYS 26 HB2 LYS 26 0.206 -15.412 -6.442 212 HB3 LYS 26 HB3 LYS 26 -0.062 -14.933 -4.782 213 HG2 LYS 26 HG2 LYS 26 1.152 -12.974 -6.736 214 HG3 LYS 26 HG3 LYS 26 -0.575 -13.242 -6.640 215 HD2 LYS 26 HD2 LYS 26 -0.845 -12.317 -4.582 216 HD3 LYS 26 HD3 LYS 26 0.734 -12.769 -3.979 217 HE2 LYS 26 HE2 LYS 26 0.335 -10.620 -6.104 218 HE3 LYS 26 HE3 LYS 26 0.304 -10.281 -4.363 219 HZ1 LYS 26 HZ3 LYS 26 2.514 -11.136 -4.163 220 HZ2 LYS 26 HZ1 LYS 26 2.607 -11.556 -5.740 221 HZ3 LYS 26 HZ2 LYS 26 2.537 -9.956 -5.301 222 H THR 27 H THR 27 2.614 -14.178 -2.991 223 HA THR 27 HA THR 27 4.468 -12.073 -3.918 224 HB THR 27 HB THR 27 4.225 -12.309 -1.011 225 HG1 THR 27 HG1 THR 27 2.251 -13.226 -1.273 226 HG21 THR 27 HG23 THR 27 4.541 -10.217 -2.588 227 HG22 THR 27 HG21 THR 27 2.752 -10.238 -2.625 228 HG23 THR 27 HG22 THR 27 3.622 -10.082 -1.087 229 H LEU 28 H LEU 28 4.515 -14.634 -1.450 230 HA LEU 28 HA LEU 28 7.131 -14.560 -0.754 231 HB2 LEU 28 HB2 LEU 28 5.670 -15.822 0.422 232 HB3 LEU 28 HB3 LEU 28 5.212 -16.827 -0.963 233 HG LEU 28 HG LEU 28 8.110 -16.964 -0.225 234 HD11 LEU 28 HD11 LEU 28 6.055 -18.252 1.548 235 HD12 LEU 28 HD12 LEU 28 7.820 -18.372 1.665 236 HD13 LEU 28 HD13 LEU 28 7.033 -16.824 2.006 237 HD21 LEU 28 HD23 LEU 28 5.929 -19.028 -0.794 238 HD22 LEU 28 HD21 LEU 28 7.100 -18.418 -1.979 239 HD23 LEU 28 HD22 LEU 28 7.645 -19.377 -0.581 240 H ARG 29 H ARG 29 5.918 -16.211 -3.584 241 HA ARG 29 HA ARG 29 8.300 -17.565 -4.392 242 HB2 ARG 29 HB2 ARG 29 7.279 -17.934 -6.486 243 HB3 ARG 29 HB3 ARG 29 6.068 -18.089 -5.229 244 HG2 ARG 29 HG2 ARG 29 4.755 -16.560 -6.237 245 HG3 ARG 29 HG3 ARG 29 6.029 -15.355 -6.182 246 HD2 ARG 29 HD2 ARG 29 5.437 -15.536 -8.446 247 HD3 ARG 29 HD3 ARG 29 6.944 -16.463 -8.331 248 HE ARG 29 HE ARG 29 5.051 -18.392 -7.924 249 HH11 ARG 29 HH11 ARG 29 5.516 -16.156 -10.562 250 HH12 ARG 29 HH12 ARG 29 4.605 -17.121 -11.695 251 HH21 ARG 29 HH21 ARG 29 3.778 -19.501 -9.350 252 HH22 ARG 29 HH22 ARG 29 3.614 -18.977 -11.011 253 H ALA 30 H ALA 30 7.907 -14.207 -4.355 254 HA ALA 30 HA ALA 30 10.292 -13.856 -6.102 255 HB1 ALA 30 HB3 ALA 30 8.228 -13.291 -7.350 256 HB2 ALA 30 HB1 ALA 30 7.765 -12.149 -6.061 257 HB3 ALA 30 HB2 ALA 30 9.216 -11.848 -7.043 258 H GLU 31 H GLU 31 9.352 -13.639 -2.978 259 HA GLU 31 HA GLU 31 11.208 -11.352 -2.445 260 HB2 GLU 31 HB2 GLU 31 9.865 -10.565 -0.677 261 HB3 GLU 31 HB3 GLU 31 8.801 -10.813 -2.056 262 HG2 GLU 31 HG2 GLU 31 8.611 -13.237 -0.806 263 HG3 GLU 31 HG3 GLU 31 8.951 -12.233 0.591 264 H GLN 32 H GLN 32 10.076 -14.538 -1.334 265 HA GLN 32 HA GLN 32 12.591 -14.838 0.274 266 HB2 GLN 32 HB2 GLN 32 10.263 -16.724 0.483 267 HB3 GLN 32 HB3 GLN 32 11.517 -16.384 1.656 268 HG2 GLN 32 HG2 GLN 32 9.144 -14.577 1.001 269 HG3 GLN 32 HG3 GLN 32 9.270 -15.693 2.328 270 HE21 GLN 32 HE22 GLN 32 9.037 -14.175 3.984 271 HE22 GLN 32 HE21 GLN 32 10.291 -12.939 4.272 272 H ALA 33 H ALA 33 10.851 -15.945 -2.456 273 HA ALA 33 HA ALA 33 11.044 -17.479 -4.043 274 HB1 ALA 33 HB3 ALA 33 13.305 -16.607 -4.309 275 HB2 ALA 33 HB1 ALA 33 13.927 -17.814 -3.156 276 HB3 ALA 33 HB2 ALA 33 13.223 -18.333 -4.702 277 H SER 34 H SER 34 11.499 -18.579 -0.833 278 HA SER 34 HA SER 34 11.541 -21.277 -0.834 279 HB2 SER 34 HB2 SER 34 9.681 -19.651 0.926 280 HB3 SER 34 HB3 SER 34 10.507 -21.170 1.323 281 HG SER 34 HG SER 34 11.689 -19.529 2.208 282 H GLN 35 H GLN 35 9.548 -20.407 -2.999 283 HA GLN 35 HA GLN 35 6.918 -21.345 -2.498 284 HB2 GLN 35 HB2 GLN 35 7.869 -19.904 -4.401 285 HB3 GLN 35 HB3 GLN 35 8.524 -21.387 -5.093 286 HG2 GLN 35 HG2 GLN 35 6.123 -22.255 -5.224 287 HG3 GLN 35 HG3 GLN 35 5.602 -20.658 -4.659 288 HE21 GLN 35 HE22 GLN 35 7.949 -21.869 -7.163 289 HE22 GLN 35 HE21 GLN 35 7.178 -20.966 -8.460 290 H GLU 36 H GLU 36 9.752 -23.166 -2.615 291 HA GLU 36 HA GLU 36 8.904 -25.564 -4.019 292 HB2 GLU 36 HB2 GLU 36 11.243 -24.421 -3.755 293 HB3 GLU 36 HB3 GLU 36 11.265 -25.158 -2.153 294 HG2 GLU 36 HG2 GLU 36 10.877 -27.403 -3.397 295 HG3 GLU 36 HG3 GLU 36 11.234 -26.509 -4.878 296 H VAL 37 H VAL 37 9.093 -27.695 -2.983 297 HA VAL 37 HA VAL 37 7.678 -28.292 -0.596 298 HB VAL 37 HB VAL 37 9.677 -29.757 -2.331 299 HG11 VAL 37 HG11 VAL 37 8.428 -30.901 0.192 300 HG12 VAL 37 HG12 VAL 37 9.177 -31.865 -1.104 301 HG13 VAL 37 HG13 VAL 37 10.155 -30.730 -0.166 302 HG21 VAL 37 HG23 VAL 37 6.739 -30.206 -1.652 303 HG22 VAL 37 HG21 VAL 37 7.343 -29.395 -3.112 304 HG23 VAL 37 HG22 VAL 37 7.687 -31.111 -2.853 305 H LYS 38 H LYS 38 10.907 -27.083 -0.956 306 HA LYS 38 HA LYS 38 11.606 -27.536 1.892 307 HB2 LYS 38 HB2 LYS 38 12.858 -25.912 -0.354 308 HB3 LYS 38 HB3 LYS 38 13.386 -25.766 1.331 309 HG2 LYS 38 HG2 LYS 38 13.794 -28.271 1.337 310 HG3 LYS 38 HG3 LYS 38 13.607 -28.231 -0.414 311 HD2 LYS 38 HD2 LYS 38 15.643 -26.733 1.292 312 HD3 LYS 38 HD3 LYS 38 15.991 -28.081 0.216 313 HE2 LYS 38 HE2 LYS 38 14.907 -25.387 -0.725 314 HE3 LYS 38 HE3 LYS 38 16.633 -25.740 -0.626 315 HZ1 LYS 38 HZ3 LYS 38 16.402 -27.348 -2.370 316 HZ2 LYS 38 HZ1 LYS 38 14.760 -27.420 -2.190 317 HZ3 LYS 38 HZ2 LYS 38 15.338 -26.143 -2.841 318 H ASN 39 H ASN 39 9.134 -26.736 2.011 319 HA ASN 39 HA ASN 39 8.693 -23.896 2.170 320 HB2 ASN 39 HB2 ASN 39 7.132 -25.959 3.747 321 HB3 ASN 39 HB3 ASN 39 6.564 -24.418 3.061 322 HD21 ASN 39 HD22 ASN 39 5.748 -24.435 0.956 323 HD22 ASN 39 HD21 ASN 39 5.600 -25.948 0.075 324 H ALA 40 H ALA 40 10.387 -22.998 3.330 325 HA ALA 40 HA ALA 40 11.577 -23.965 5.680 326 HB1 ALA 40 HB3 ALA 40 12.529 -22.365 4.007 327 HB2 ALA 40 HB1 ALA 40 11.430 -21.109 4.623 328 HB3 ALA 40 HB2 ALA 40 12.704 -21.774 5.666 329 H MET 41 H MET 41 11.864 -22.024 7.560 330 HA MET 41 HA MET 41 9.282 -22.094 8.976 331 HB2 MET 41 HB2 MET 41 11.878 -21.021 10.089 332 HB3 MET 41 HB3 MET 41 10.446 -21.592 10.957 333 HG2 MET 41 HG2 MET 41 12.514 -23.206 9.454 334 HG3 MET 41 HG3 MET 41 12.115 -23.293 11.160 335 HE1 MET 41 HE3 MET 41 10.897 -25.349 12.068 336 HE2 MET 41 HE1 MET 41 9.560 -24.180 11.961 337 HE3 MET 41 HE2 MET 41 9.334 -25.846 11.403 338 H THR 42 H THR 42 9.696 -20.266 6.653 339 HA THR 42 HA THR 42 9.365 -17.526 7.668 340 HB THR 42 HB THR 42 8.248 -17.608 5.073 341 HG1 THR 42 HG1 THR 42 9.451 -18.795 3.854 342 HG21 THR 42 HG23 THR 42 9.985 -16.004 5.950 343 HG22 THR 42 HG21 THR 42 11.212 -17.285 5.841 344 HG23 THR 42 HG22 THR 42 10.433 -16.652 4.371 345 H GLU 43 H GLU 43 7.328 -16.409 6.939 346 HA GLU 43 HA GLU 43 4.879 -17.382 7.931 347 HB2 GLU 43 HB2 GLU 43 3.934 -15.523 6.649 348 HB3 GLU 43 HB3 GLU 43 5.396 -15.036 7.498 349 HG2 GLU 43 HG2 GLU 43 5.307 -15.823 4.579 350 HG3 GLU 43 HG3 GLU 43 5.162 -14.144 5.142 351 H THR 44 H THR 44 6.436 -18.394 5.250 352 HA THR 44 HA THR 44 4.976 -19.372 3.207 353 HB THR 44 HB THR 44 7.410 -19.481 3.937 354 HG1 THR 44 HG1 THR 44 6.518 -21.554 2.307 355 HG21 THR 44 HG23 THR 44 7.089 -21.249 5.695 356 HG22 THR 44 HG21 THR 44 6.782 -22.414 4.394 357 HG23 THR 44 HG22 THR 44 8.328 -21.556 4.466 358 H LEU 45 H LEU 45 3.465 -20.009 5.874 359 HA LEU 45 HA LEU 45 3.340 -22.539 6.632 360 HB2 LEU 45 HB2 LEU 45 0.754 -21.871 7.149 361 HB3 LEU 45 HB3 LEU 45 2.163 -21.536 8.095 362 HG LEU 45 HG LEU 45 2.224 -19.267 7.472 363 HD11 LEU 45 HD11 LEU 45 -0.320 -19.456 5.811 364 HD12 LEU 45 HD12 LEU 45 0.761 -18.080 6.017 365 HD13 LEU 45 HD13 LEU 45 1.280 -19.442 5.043 366 HD21 LEU 45 HD23 LEU 45 -0.588 -20.198 8.092 367 HD22 LEU 45 HD21 LEU 45 0.742 -19.944 9.242 368 HD23 LEU 45 HD22 LEU 45 0.061 -18.559 8.383 369 H LEU 46 H LEU 46 2.563 -22.421 3.459 370 HA LEU 46 HA LEU 46 1.139 -24.948 3.474 371 HB2 LEU 46 HB2 LEU 46 -0.824 -23.916 2.086 372 HB3 LEU 46 HB3 LEU 46 -0.874 -24.024 3.811 373 HG LEU 46 HG LEU 46 -1.718 -21.925 2.566 374 HD11 LEU 46 HD11 LEU 46 -0.335 -21.741 5.175 375 HD12 LEU 46 HD12 LEU 46 -1.512 -20.621 4.462 376 HD13 LEU 46 HD13 LEU 46 -1.989 -22.283 4.854 377 HD21 LEU 46 HD23 LEU 46 0.947 -20.714 3.277 378 HD22 LEU 46 HD21 LEU 46 0.751 -21.394 1.689 379 HD23 LEU 46 HD22 LEU 46 -0.351 -20.119 2.237 380 H VAL 47 H VAL 47 0.459 -25.543 1.036 381 HA VAL 47 HA VAL 47 2.524 -24.408 -0.768 382 HB VAL 47 HB VAL 47 1.859 -27.272 -1.138 383 HG11 VAL 47 HG11 VAL 47 4.368 -25.585 -1.249 384 HG12 VAL 47 HG12 VAL 47 4.299 -27.332 -1.594 385 HG13 VAL 47 HG13 VAL 47 3.394 -26.192 -2.601 386 HG21 VAL 47 HG23 VAL 47 3.508 -26.426 1.258 387 HG22 VAL 47 HG21 VAL 47 2.016 -27.362 1.262 388 HG23 VAL 47 HG22 VAL 47 3.474 -28.056 0.544 389 H GLN 48 H GLN 48 1.908 -23.765 -2.586 390 HA GLN 48 HA GLN 48 -0.641 -23.529 -3.663 391 HB2 GLN 48 HB2 GLN 48 2.036 -23.717 -5.075 392 HB3 GLN 48 HB3 GLN 48 0.524 -23.310 -5.902 393 HG2 GLN 48 HG2 GLN 48 0.170 -21.362 -4.485 394 HG3 GLN 48 HG3 GLN 48 1.589 -21.777 -3.529 395 HE21 GLN 48 HE22 GLN 48 3.530 -22.318 -5.471 396 HE22 GLN 48 HE21 GLN 48 3.813 -20.789 -6.323 397 H ASN 49 H ASN 49 -1.906 -24.720 -5.033 398 HA ASN 49 HA ASN 49 -3.050 -26.714 -5.272 399 HB2 ASN 49 HB2 ASN 49 -2.116 -25.773 -7.361 400 HB3 ASN 49 HB3 ASN 49 -0.784 -26.915 -7.229 401 HD21 ASN 49 HD22 ASN 49 -1.228 -28.609 -8.705 402 HD22 ASN 49 HD21 ASN 49 -2.838 -29.289 -8.924 403 H ALA 50 H ALA 50 -1.129 -27.272 -3.014 404 HA ALA 50 HA ALA 50 -0.275 -29.894 -3.075 405 HB1 ALA 50 HB3 ALA 50 -0.014 -28.323 -1.186 406 HB2 ALA 50 HB1 ALA 50 -1.719 -28.501 -0.771 407 HB3 ALA 50 HB2 ALA 50 -0.615 -29.883 -0.636 408 H ASN 51 H ASN 51 -1.312 -31.649 -1.646 409 HA ASN 51 HA ASN 51 -3.174 -32.933 -3.408 410 HB2 ASN 51 HB2 ASN 51 -1.776 -33.726 -0.813 411 HB3 ASN 51 HB3 ASN 51 -2.848 -34.822 -1.651 412 HD21 ASN 51 HD22 ASN 51 -0.763 -36.096 -1.547 413 HD22 ASN 51 HD21 ASN 51 0.405 -35.788 -2.798 414 HA PRO 52 HA PRO 52 -7.057 -32.516 -1.318 415 HB2 PRO 52 HB2 PRO 52 -8.098 -35.095 -1.238 416 HB3 PRO 52 HB3 PRO 52 -8.118 -34.016 -2.663 417 HG2 PRO 52 HG2 PRO 52 -6.135 -36.207 -2.007 418 HG3 PRO 52 HG3 PRO 52 -6.943 -35.873 -3.571 419 HD2 PRO 52 HD2 PRO 52 -4.424 -35.037 -3.122 420 HD3 PRO 52 HD3 PRO 52 -5.576 -33.970 -3.969 421 H ASP 53 H ASP 53 -5.224 -35.406 -0.087 422 HA ASP 53 HA ASP 53 -6.585 -35.438 2.349 423 HB2 ASP 53 HB2 ASP 53 -4.067 -36.758 1.375 424 HB3 ASP 53 HB3 ASP 53 -4.545 -36.878 3.083 425 H CYS 54 H CYS 54 -3.180 -34.063 2.035 426 HA CYS 54 HA CYS 54 -2.987 -33.261 4.708 427 HB2 CYS 54 HB2 CYS 54 -1.626 -31.276 3.745 428 HB3 CYS 54 HB3 CYS 54 -1.063 -32.913 3.421 429 HG CYS 54 HG CYS 54 -0.574 -31.517 1.338 430 H LYS 55 H LYS 55 -4.102 -31.149 2.154 431 HA LYS 55 HA LYS 55 -5.249 -28.994 3.545 432 HB2 LYS 55 HB2 LYS 55 -5.950 -30.558 1.078 433 HB3 LYS 55 HB3 LYS 55 -6.933 -29.172 1.520 434 HG2 LYS 55 HG2 LYS 55 -5.243 -27.600 1.198 435 HG3 LYS 55 HG3 LYS 55 -3.933 -28.750 1.433 436 HD2 LYS 55 HD2 LYS 55 -3.912 -29.482 -0.742 437 HD3 LYS 55 HD3 LYS 55 -5.631 -29.104 -1.019 438 HE2 LYS 55 HE2 LYS 55 -5.002 -26.623 -0.887 439 HE3 LYS 55 HE3 LYS 55 -3.313 -27.131 -0.816 440 HZ1 LYS 55 HZ3 LYS 55 -3.770 -28.328 -2.969 441 HZ2 LYS 55 HZ1 LYS 55 -5.188 -27.567 -3.084 442 HZ3 LYS 55 HZ2 LYS 55 -3.797 -26.681 -3.088 443 H THR 56 H THR 56 -6.898 -32.128 2.941 444 HA THR 56 HA THR 56 -9.380 -31.439 4.230 445 HB THR 56 HB THR 56 -8.169 -34.148 3.560 446 HG1 THR 56 HG1 THR 56 -8.483 -33.135 1.732 447 HG21 THR 56 HG23 THR 56 -9.985 -34.552 5.116 448 HG22 THR 56 HG21 THR 56 -11.036 -33.396 4.258 449 HG23 THR 56 HG22 THR 56 -10.547 -34.916 3.480 450 H ILE 57 H ILE 57 -6.311 -32.452 5.378 451 HA ILE 57 HA ILE 57 -7.356 -33.413 8.018 452 HB ILE 57 HB ILE 57 -4.555 -33.352 6.863 453 HG12 ILE 57 HG12 ILE 57 -6.111 -35.799 7.773 454 HG13 ILE 57 HG13 ILE 57 -6.423 -35.118 6.182 455 HG21 ILE 57 HG21 ILE 57 -5.490 -34.213 9.636 456 HG22 ILE 57 HG22 ILE 57 -3.930 -34.684 8.942 457 HG23 ILE 57 HG23 ILE 57 -4.258 -32.990 9.242 458 HD11 ILE 57 HD13 ILE 57 -4.008 -35.258 5.630 459 HD12 ILE 57 HD11 ILE 57 -3.716 -36.085 7.173 460 HD13 ILE 57 HD12 ILE 57 -4.757 -36.839 5.944 461 H LEU 58 H LEU 58 -4.846 -30.921 7.020 462 HA LEU 58 HA LEU 58 -4.853 -29.694 9.534 463 HB2 LEU 58 HB2 LEU 58 -4.387 -28.241 6.894 464 HB3 LEU 58 HB3 LEU 58 -3.989 -27.680 8.514 465 HG LEU 58 HG LEU 58 -2.682 -29.981 8.683 466 HD11 LEU 58 HD11 LEU 58 -3.062 -29.604 5.752 467 HD12 LEU 58 HD12 LEU 58 -1.488 -30.247 6.332 468 HD13 LEU 58 HD13 LEU 58 -2.959 -31.081 6.761 469 HD21 LEU 58 HD23 LEU 58 -1.912 -27.321 7.560 470 HD22 LEU 58 HD21 LEU 58 -1.382 -28.138 9.043 471 HD23 LEU 58 HD22 LEU 58 -0.696 -28.605 7.472 472 H LYS 59 H LYS 59 -7.209 -29.411 7.010 473 HA LYS 59 HA LYS 59 -8.961 -27.413 7.750 474 HB2 LYS 59 HB2 LYS 59 -9.178 -30.064 6.672 475 HB3 LYS 59 HB3 LYS 59 -10.537 -29.805 7.737 476 HG2 LYS 59 HG2 LYS 59 -10.081 -27.515 5.962 477 HG3 LYS 59 HG3 LYS 59 -10.161 -29.017 5.074 478 HD2 LYS 59 HD2 LYS 59 -12.356 -28.319 5.031 479 HD3 LYS 59 HD3 LYS 59 -12.386 -29.527 6.300 480 HE2 LYS 59 HE2 LYS 59 -12.124 -26.522 6.830 481 HE3 LYS 59 HE3 LYS 59 -13.680 -27.295 6.607 482 HZ1 LYS 59 HZ3 LYS 59 -13.371 -28.535 8.617 483 HZ2 LYS 59 HZ1 LYS 59 -11.792 -28.006 8.785 484 HZ3 LYS 59 HZ2 LYS 59 -12.973 -26.947 8.885 485 H ALA 60 H ALA 60 -8.198 -30.147 9.763 486 HA ALA 60 HA ALA 60 -9.646 -28.871 12.072 487 HB1 ALA 60 HB3 ALA 60 -10.562 -31.087 11.531 488 HB2 ALA 60 HB1 ALA 60 -8.934 -31.796 11.633 489 HB3 ALA 60 HB2 ALA 60 -9.699 -31.112 13.083 490 H LEU 61 H LEU 61 -6.617 -30.115 10.792 491 HA LEU 61 HA LEU 61 -5.274 -30.045 13.407 492 HB2 LEU 61 HB2 LEU 61 -5.331 -31.894 11.337 493 HB3 LEU 61 HB3 LEU 61 -3.771 -31.173 11.103 494 HG LEU 61 HG LEU 61 -4.692 -32.119 13.852 495 HD11 LEU 61 HD11 LEU 61 -3.187 -33.736 11.773 496 HD12 LEU 61 HD12 LEU 61 -3.474 -34.210 13.460 497 HD13 LEU 61 HD13 LEU 61 -4.838 -34.030 12.348 498 HD21 LEU 61 HD23 LEU 61 -1.925 -31.673 12.654 499 HD22 LEU 61 HD21 LEU 61 -2.723 -30.630 13.839 500 HD23 LEU 61 HD22 LEU 61 -2.257 -32.278 14.286 501 H GLY 62 H GLY 62 -5.488 -27.676 13.249 502 HA2 GLY 62 HA2 GLY 62 -2.849 -26.580 12.292 503 HA3 GLY 62 HA3 GLY 62 -4.327 -25.642 12.120 504 HA PRO 63 HA PRO 63 -3.578 -25.632 16.840 505 HB2 PRO 63 HB2 PRO 63 -1.973 -27.383 18.129 506 HB3 PRO 63 HB3 PRO 63 -3.526 -27.925 17.435 507 HG2 PRO 63 HG2 PRO 63 -0.777 -28.098 16.135 508 HG3 PRO 63 HG3 PRO 63 -1.946 -29.435 16.406 509 HD2 PRO 63 HD2 PRO 63 -1.835 -28.055 14.046 510 HD3 PRO 63 HD3 PRO 63 -3.379 -28.651 14.740 511 H ALA 64 H ALA 64 -2.103 -24.281 14.854 512 HA ALA 64 HA ALA 64 -0.375 -22.937 14.372 513 HB1 ALA 64 HB3 ALA 64 -1.406 -21.888 16.342 514 HB2 ALA 64 HB1 ALA 64 -0.209 -22.690 17.388 515 HB3 ALA 64 HB2 ALA 64 0.318 -21.494 16.190 516 H ALA 65 H ALA 65 0.705 -25.791 15.878 517 HA ALA 65 HA ALA 65 3.537 -25.163 15.081 518 HB1 ALA 65 HB3 ALA 65 3.222 -25.016 17.507 519 HB2 ALA 65 HB1 ALA 65 2.563 -26.670 17.546 520 HB3 ALA 65 HB2 ALA 65 4.256 -26.384 17.065 521 H THR 66 H THR 66 1.474 -28.138 15.858 522 HA THR 66 HA THR 66 3.032 -29.898 14.335 523 HB THR 66 HB THR 66 0.026 -30.149 14.224 524 HG1 THR 66 HG1 THR 66 1.513 -30.928 16.449 525 HG21 THR 66 HG23 THR 66 1.447 -31.953 13.237 526 HG22 THR 66 HG21 THR 66 2.286 -32.141 14.771 527 HG23 THR 66 HG22 THR 66 0.550 -32.533 14.650 528 H LEU 67 H LEU 67 1.195 -27.321 13.073 529 HA LEU 67 HA LEU 67 0.552 -28.165 10.444 530 HB2 LEU 67 HB2 LEU 67 -0.065 -26.147 11.678 531 HB3 LEU 67 HB3 LEU 67 1.539 -25.490 11.417 532 HG LEU 67 HG LEU 67 -0.771 -25.782 9.423 533 HD11 LEU 67 HD11 LEU 67 1.380 -23.702 10.003 534 HD12 LEU 67 HD12 LEU 67 -0.020 -23.481 8.924 535 HD13 LEU 67 HD13 LEU 67 -0.263 -23.655 10.683 536 HD21 LEU 67 HD23 LEU 67 2.100 -25.677 8.589 537 HD22 LEU 67 HD21 LEU 67 0.849 -26.939 8.253 538 HD23 LEU 67 HD22 LEU 67 0.683 -25.302 7.615 539 H GLU 68 H GLU 68 3.575 -26.741 11.736 540 HA GLU 68 HA GLU 68 5.201 -26.506 9.595 541 HB2 GLU 68 HB2 GLU 68 5.993 -27.943 12.197 542 HB3 GLU 68 HB3 GLU 68 7.112 -27.120 11.101 543 HG2 GLU 68 HG2 GLU 68 6.109 -24.982 11.586 544 HG3 GLU 68 HG3 GLU 68 4.814 -25.719 12.466 545 H GLU 69 H GLU 69 4.421 -29.683 10.966 546 HA GLU 69 HA GLU 69 5.946 -30.982 8.726 547 HB2 GLU 69 HB2 GLU 69 5.328 -33.093 9.523 548 HB3 GLU 69 HB3 GLU 69 5.877 -32.134 10.905 549 HG2 GLU 69 HG2 GLU 69 3.642 -31.884 11.735 550 HG3 GLU 69 HG3 GLU 69 2.932 -32.583 10.286 551 H MET 70 H MET 70 2.570 -30.366 9.633 552 HA MET 70 HA MET 70 1.328 -32.125 7.787 553 HB2 MET 70 HB2 MET 70 0.349 -29.618 9.040 554 HB3 MET 70 HB3 MET 70 -0.662 -30.863 8.260 555 HG2 MET 70 HG2 MET 70 1.057 -31.743 10.439 556 HG3 MET 70 HG3 MET 70 -0.241 -30.616 10.860 557 HE1 MET 70 HE3 MET 70 0.733 -34.192 10.746 558 HE2 MET 70 HE1 MET 70 -0.055 -33.478 12.166 559 HE3 MET 70 HE2 MET 70 -0.823 -34.830 11.307 560 H MET 71 H MET 71 2.431 -28.939 7.523 561 HA MET 71 HA MET 71 1.330 -27.553 5.464 562 HB2 MET 71 HB2 MET 71 3.250 -26.838 6.884 563 HB3 MET 71 HB3 MET 71 4.301 -27.957 6.057 564 HG2 MET 71 HG2 MET 71 4.271 -26.686 4.036 565 HG3 MET 71 HG3 MET 71 2.818 -25.824 4.488 566 HE1 MET 71 HE3 MET 71 5.658 -26.174 7.306 567 HE2 MET 71 HE1 MET 71 6.552 -26.430 5.798 568 HE3 MET 71 HE2 MET 71 6.809 -24.948 6.737 569 H THR 72 H THR 72 3.701 -30.138 5.112 570 HA THR 72 HA THR 72 2.903 -30.572 2.274 571 HB THR 72 HB THR 72 5.690 -30.570 3.401 572 HG1 THR 72 HG1 THR 72 5.788 -28.462 2.258 573 HG21 THR 72 HG23 THR 72 5.600 -31.747 1.232 574 HG22 THR 72 HG21 THR 72 4.678 -30.402 0.514 575 HG23 THR 72 HG22 THR 72 6.371 -30.171 1.001 576 H ALA 73 H ALA 73 3.931 -32.022 5.362 577 HA ALA 73 HA ALA 73 5.145 -34.350 4.135 578 HB1 ALA 73 HB3 ALA 73 5.767 -33.530 6.409 579 HB2 ALA 73 HB1 ALA 73 4.154 -33.996 6.998 580 HB3 ALA 73 HB2 ALA 73 5.271 -35.234 6.410 581 H CYS 74 H CYS 74 2.073 -33.382 5.248 582 HA CYS 74 HA CYS 74 0.793 -36.002 5.215 583 HB2 CYS 74 HB2 CYS 74 -0.296 -33.177 5.525 584 HB3 CYS 74 HB3 CYS 74 -1.324 -34.636 5.531 585 HG CYS 74 HG CYS 74 -0.752 -33.811 8.061 586 H GLN 75 H GLN 75 1.911 -34.286 2.581 587 HA GLN 75 HA GLN 75 -0.315 -34.766 0.784 588 HB2 GLN 75 HB2 GLN 75 1.103 -34.067 -0.911 589 HB3 GLN 75 HB3 GLN 75 1.598 -33.149 0.477 590 HG2 GLN 75 HG2 GLN 75 3.646 -33.693 -0.410 591 HG3 GLN 75 HG3 GLN 75 3.454 -34.985 0.766 592 HE21 GLN 75 HE22 GLN 75 5.219 -35.924 -0.803 593 HE22 GLN 75 HE21 GLN 75 4.576 -36.819 -2.186 594 H GLY 76 H GLY 76 2.413 -36.668 2.000 595 HA2 GLY 76 HA2 GLY 76 1.755 -38.979 0.239 596 HA3 GLY 76 HA3 GLY 76 3.233 -38.750 1.178 597 H VAL 77 H VAL 77 0.197 -38.094 2.744 598 HA VAL 77 HA VAL 77 0.655 -40.091 4.793 599 HB VAL 77 HB VAL 77 -0.429 -37.837 5.043 600 HG11 VAL 77 HG11 VAL 77 -2.980 -39.185 4.081 601 HG12 VAL 77 HG12 VAL 77 -2.756 -37.513 4.629 602 HG13 VAL 77 HG13 VAL 77 -2.029 -38.044 3.110 603 HG21 VAL 77 HG23 VAL 77 -2.050 -40.111 6.228 604 HG22 VAL 77 HG21 VAL 77 -0.513 -39.485 6.859 605 HG23 VAL 77 HG22 VAL 77 -1.942 -38.440 6.818 606 H GLY 78 H GLY 78 -0.857 -40.392 1.754 607 HA2 GLY 78 HA2 GLY 78 -1.988 -42.106 0.697 608 HA3 GLY 78 HA3 GLY 78 -1.806 -43.100 2.148 609 H GLY 79 H GLY 79 -3.174 -42.106 4.058 610 HA2 GLY 79 HA2 GLY 79 -5.126 -40.958 4.782 611 HA3 GLY 79 HA3 GLY 79 -5.867 -41.123 3.195 612 HA PRO 80 HA PRO 80 -6.691 -44.761 6.240 613 HB2 PRO 80 HB2 PRO 80 -8.716 -44.039 7.921 614 HB3 PRO 80 HB3 PRO 80 -7.030 -43.519 8.165 615 HG2 PRO 80 HG2 PRO 80 -9.240 -41.963 6.767 616 HG3 PRO 80 HG3 PRO 80 -8.194 -41.416 8.121 617 HD2 PRO 80 HD2 PRO 80 -7.584 -40.835 5.532 618 HD3 PRO 80 HD3 PRO 80 -6.304 -41.247 6.714 619 H GLY 81 H GLY 81 -8.089 -43.777 3.623 620 HA2 GLY 81 HA2 GLY 81 -9.611 -44.562 2.140 621 HA3 GLY 81 HA3 GLY 81 -9.702 -45.992 3.158 622 H HIS 82 H HIS 82 -11.168 -45.361 5.279 623 HA HIS 82 HA HIS 82 -13.780 -45.580 4.415 624 HB2 HIS 82 HB2 HIS 82 -14.417 -45.549 6.677 625 HB3 HIS 82 HB3 HIS 82 -12.790 -46.214 6.653 626 HD2 HIS 82 HD2 HIS 82 -10.867 -43.904 6.986 627 HE1 HIS 82 HE1 HIS 82 -13.372 -42.323 10.055 628 HE2 HIS 82 HE2 HIS 82 -11.023 -42.280 9.065 629 H LYS 83 H LYS 83 -12.224 -42.564 4.562 630 HA LYS 83 HA LYS 83 -14.366 -40.801 5.228 631 HB2 LYS 83 HB2 LYS 83 -12.971 -39.052 4.361 632 HB3 LYS 83 HB3 LYS 83 -11.947 -40.195 5.227 633 HG2 LYS 83 HG2 LYS 83 -11.160 -41.173 3.108 634 HG3 LYS 83 HG3 LYS 83 -12.306 -40.182 2.185 635 HD2 LYS 83 HD2 LYS 83 -11.187 -38.122 3.050 636 HD3 LYS 83 HD3 LYS 83 -9.962 -39.153 3.827 637 HE2 LYS 83 HE2 LYS 83 -9.379 -40.112 1.610 638 HE3 LYS 83 HE3 LYS 83 -10.613 -39.100 0.836 639 HZ1 LYS 83 HZ3 LYS 83 -9.330 -37.134 1.594 640 HZ2 LYS 83 HZ1 LYS 83 -8.219 -38.137 2.313 641 HZ3 LYS 83 HZ2 LYS 83 -8.297 -38.128 0.768 642 H ALA 84 H ALA 84 -14.548 -42.823 2.693 643 HA ALA 84 HA ALA 84 -15.229 -41.234 0.443 644 HB1 ALA 84 HB3 ALA 84 -14.357 -43.557 0.413 645 HB2 ALA 84 HB1 ALA 84 -15.889 -44.132 1.116 646 HB3 ALA 84 HB2 ALA 84 -15.867 -43.408 -0.504 647 H ARG 85 H ARG 85 -16.886 -40.400 2.757 648 HA ARG 85 HA ARG 85 -19.689 -41.017 2.126 649 HB2 ARG 85 HB2 ARG 85 -19.004 -40.342 4.385 650 HB3 ARG 85 HB3 ARG 85 -18.352 -38.820 3.791 651 HG2 ARG 85 HG2 ARG 85 -21.266 -39.468 3.286 652 HG3 ARG 85 HG3 ARG 85 -20.780 -39.029 4.915 653 HD2 ARG 85 HD2 ARG 85 -20.257 -37.263 2.493 654 HD3 ARG 85 HD3 ARG 85 -21.677 -37.150 3.516 655 HE ARG 85 HE ARG 85 -18.870 -36.761 4.493 656 HH11 ARG 85 HH11 ARG 85 -21.860 -35.199 3.876 657 HH12 ARG 85 HH12 ARG 85 -21.656 -33.996 5.027 658 HH21 ARG 85 HH21 ARG 85 -18.456 -34.896 5.624 659 HH22 ARG 85 HH22 ARG 85 -19.737 -33.756 5.911 660 H VAL 86 H VAL 86 -20.645 -40.278 0.328 661 HA VAL 86 HA VAL 86 -19.593 -38.099 -1.291 662 HB VAL 86 HB VAL 86 -21.827 -38.242 -2.457 663 HG11 VAL 86 HG11 VAL 86 -20.210 -40.814 -2.240 664 HG12 VAL 86 HG12 VAL 86 -21.276 -40.348 -3.584 665 HG13 VAL 86 HG13 VAL 86 -19.814 -39.408 -3.251 666 HG21 VAL 86 HG23 VAL 86 -22.256 -40.741 -0.747 667 HG22 VAL 86 HG21 VAL 86 -23.216 -39.247 -0.647 668 HG23 VAL 86 HG22 VAL 86 -23.234 -40.210 -2.125 669 H LEU 87 H LEU 87 -19.910 -36.057 -1.126 670 HA LEU 87 HA LEU 87 -20.163 -34.065 -0.166 671 HB2 LEU 87 HB2 LEU 87 -22.247 -34.534 -1.683 672 HB3 LEU 87 HB3 LEU 87 -23.146 -34.509 -0.169 673 HG LEU 87 HG LEU 87 -21.400 -32.263 -1.288 674 HD11 LEU 87 HD11 LEU 87 -24.422 -32.515 -1.061 675 HD12 LEU 87 HD12 LEU 87 -23.528 -31.113 -1.692 676 HD13 LEU 87 HD13 LEU 87 -23.474 -32.656 -2.559 677 HD21 LEU 87 HD23 LEU 87 -23.168 -32.325 1.187 678 HD22 LEU 87 HD21 LEU 87 -21.418 -32.045 1.126 679 HD23 LEU 87 HD22 LEU 87 -22.515 -30.836 0.453 Start of MODEL 23 1 H1 MET 1 H1 MET 1 -4.531 -3.528 1.567 2 H2 MET 1 H2 MET 1 -2.922 -3.912 1.656 3 H3 MET 1 H3 MET 1 -3.928 -4.554 2.739 4 HA MET 1 HA MET 1 -3.273 -6.133 1.124 5 HB2 MET 1 HB2 MET 1 -5.452 -7.024 0.490 6 HB3 MET 1 HB3 MET 1 -5.404 -6.500 2.168 7 HG2 MET 1 HG2 MET 1 -6.529 -4.337 1.417 8 HG3 MET 1 HG3 MET 1 -6.808 -5.120 -0.140 9 HE1 MET 1 HE3 MET 1 -8.485 -7.063 -0.558 10 HE2 MET 1 HE1 MET 1 -7.598 -8.133 0.558 11 HE3 MET 1 HE2 MET 1 -9.356 -7.938 0.719 12 H SER 2 H SER 2 -2.224 -6.196 -0.651 13 HA SER 2 HA SER 2 -3.052 -4.705 -3.096 14 HB2 SER 2 HB2 SER 2 -0.219 -4.817 -1.978 15 HB3 SER 2 HB3 SER 2 -0.846 -3.756 -3.247 16 HG SER 2 HG SER 2 -1.230 -3.690 -0.453 17 HA PRO 3 HA PRO 3 -1.728 -8.479 -5.038 18 HB2 PRO 3 HB2 PRO 3 -0.744 -7.745 -7.500 19 HB3 PRO 3 HB3 PRO 3 -2.466 -7.619 -7.037 20 HG2 PRO 3 HG2 PRO 3 -0.353 -5.441 -6.951 21 HG3 PRO 3 HG3 PRO 3 -1.992 -5.364 -7.677 22 HD2 PRO 3 HD2 PRO 3 -1.494 -4.404 -5.190 23 HD3 PRO 3 HD3 PRO 3 -3.027 -5.250 -5.552 24 H THR 4 H THR 4 0.653 -6.492 -3.799 25 HA THR 4 HA THR 4 2.972 -7.866 -5.025 26 HB THR 4 HB THR 4 4.227 -6.014 -3.889 27 HG1 THR 4 HG1 THR 4 3.033 -5.313 -2.267 28 HG21 THR 4 HG23 THR 4 3.417 -5.745 -6.235 29 HG22 THR 4 HG21 THR 4 1.906 -5.034 -5.618 30 HG23 THR 4 HG22 THR 4 3.454 -4.217 -5.338 31 H SER 5 H SER 5 1.559 -7.419 -1.744 32 HA SER 5 HA SER 5 3.876 -8.958 -0.606 33 HB2 SER 5 HB2 SER 5 2.451 -6.719 0.824 34 HB3 SER 5 HB3 SER 5 4.051 -7.399 1.130 35 HG SER 5 HG SER 5 4.261 -5.401 0.129 36 H ILE 6 H ILE 6 3.480 -10.358 1.128 37 HA ILE 6 HA ILE 6 0.701 -11.213 1.351 38 HB ILE 6 HB ILE 6 1.427 -13.201 2.037 39 HG12 ILE 6 HG12 ILE 6 3.717 -13.654 3.151 40 HG13 ILE 6 HG13 ILE 6 3.773 -11.956 3.522 41 HG21 ILE 6 HG21 ILE 6 4.060 -12.243 0.882 42 HG22 ILE 6 HG22 ILE 6 3.412 -13.884 0.855 43 HG23 ILE 6 HG23 ILE 6 2.601 -12.622 -0.091 44 HD11 ILE 6 HD13 ILE 6 1.823 -12.133 4.987 45 HD12 ILE 6 HD11 ILE 6 1.392 -13.713 4.344 46 HD13 ILE 6 HD12 ILE 6 2.845 -13.507 5.349 47 H LEU 7 H LEU 7 3.051 -9.786 3.504 48 HA LEU 7 HA LEU 7 1.627 -9.953 5.938 49 HB2 LEU 7 HB2 LEU 7 3.658 -7.796 5.243 50 HB3 LEU 7 HB3 LEU 7 3.205 -8.407 6.822 51 HG LEU 7 HG LEU 7 4.120 -10.738 5.785 52 HD11 LEU 7 HD11 LEU 7 5.789 -8.578 4.407 53 HD12 LEU 7 HD12 LEU 7 6.160 -10.309 4.477 54 HD13 LEU 7 HD13 LEU 7 4.765 -9.762 3.568 55 HD21 LEU 7 HD23 LEU 7 5.834 -8.477 6.921 56 HD22 LEU 7 HD21 LEU 7 4.920 -9.703 7.848 57 HD23 LEU 7 HD22 LEU 7 6.283 -10.205 6.865 58 H ASP 8 H ASP 8 0.643 -8.425 3.404 59 HA ASP 8 HA ASP 8 -0.632 -5.985 4.571 60 HB2 ASP 8 HB2 ASP 8 0.874 -5.952 2.541 61 HB3 ASP 8 HB3 ASP 8 -0.320 -6.921 1.691 62 H ILE 9 H ILE 9 -1.182 -9.089 4.277 63 HA ILE 9 HA ILE 9 -4.135 -8.837 4.368 64 HB ILE 9 HB ILE 9 -3.156 -11.513 3.588 65 HG12 ILE 9 HG12 ILE 9 -2.981 -9.257 1.570 66 HG13 ILE 9 HG13 ILE 9 -1.689 -10.313 2.112 67 HG21 ILE 9 HG21 ILE 9 -5.381 -9.756 2.465 68 HG22 ILE 9 HG22 ILE 9 -5.255 -11.521 2.346 69 HG23 ILE 9 HG23 ILE 9 -5.584 -10.765 3.900 70 HD11 ILE 9 HD13 ILE 9 -2.850 -12.285 1.136 71 HD12 ILE 9 HD11 ILE 9 -4.054 -11.171 0.431 72 HD13 ILE 9 HD12 ILE 9 -2.354 -11.067 -0.051 73 H ARG 10 H ARG 10 -5.067 -10.717 5.667 74 HA ARG 10 HA ARG 10 -4.242 -10.525 8.263 75 HB2 ARG 10 HB2 ARG 10 -5.983 -12.306 8.693 76 HB3 ARG 10 HB3 ARG 10 -6.473 -10.950 7.709 77 HG2 ARG 10 HG2 ARG 10 -7.421 -12.950 6.837 78 HG3 ARG 10 HG3 ARG 10 -6.327 -12.286 5.653 79 HD2 ARG 10 HD2 ARG 10 -4.644 -13.995 6.132 80 HD3 ARG 10 HD3 ARG 10 -5.602 -14.605 7.491 81 HE ARG 10 HE ARG 10 -6.062 -15.051 4.616 82 HH11 ARG 10 HH11 ARG 10 -7.322 -15.771 7.799 83 HH12 ARG 10 HH12 ARG 10 -8.825 -16.371 7.192 84 HH21 ARG 10 HH21 ARG 10 -7.978 -16.049 3.898 85 HH22 ARG 10 HH22 ARG 10 -9.115 -16.639 5.069 86 H GLN 11 H GLN 11 -2.194 -12.300 6.505 87 HA GLN 11 HA GLN 11 -0.890 -14.209 6.688 88 HB2 GLN 11 HB2 GLN 11 -0.353 -13.212 9.464 89 HB3 GLN 11 HB3 GLN 11 0.738 -13.889 8.227 90 HG2 GLN 11 HG2 GLN 11 -0.049 -11.878 6.813 91 HG3 GLN 11 HG3 GLN 11 -0.569 -11.196 8.364 92 HE21 GLN 11 HE22 GLN 11 1.175 -10.453 9.841 93 HE22 GLN 11 HE21 GLN 11 2.873 -10.619 9.351 94 H GLY 12 H GLY 12 -3.483 -14.622 8.056 95 HA2 GLY 12 HA2 GLY 12 -2.941 -17.064 9.706 96 HA3 GLY 12 HA3 GLY 12 -4.164 -15.844 10.124 97 HA PRO 13 HA PRO 13 -5.955 -18.507 6.446 98 HB2 PRO 13 HB2 PRO 13 -4.353 -20.258 5.139 99 HB3 PRO 13 HB3 PRO 13 -4.299 -18.499 4.869 100 HG2 PRO 13 HG2 PRO 13 -2.499 -20.085 6.730 101 HG3 PRO 13 HG3 PRO 13 -1.987 -19.007 5.384 102 HD2 PRO 13 HD2 PRO 13 -2.178 -18.175 7.957 103 HD3 PRO 13 HD3 PRO 13 -2.599 -17.070 6.613 104 H LYS 14 H LYS 14 -5.704 -18.948 9.171 105 HA LYS 14 HA LYS 14 -4.942 -21.314 10.256 106 HB2 LYS 14 HB2 LYS 14 -6.554 -19.252 11.054 107 HB3 LYS 14 HB3 LYS 14 -7.534 -20.682 11.344 108 HG2 LYS 14 HG2 LYS 14 -4.753 -20.074 12.413 109 HG3 LYS 14 HG3 LYS 14 -6.250 -19.997 13.322 110 HD2 LYS 14 HD2 LYS 14 -4.905 -22.506 12.251 111 HD3 LYS 14 HD3 LYS 14 -4.943 -21.975 13.918 112 HE2 LYS 14 HE2 LYS 14 -7.353 -22.875 12.275 113 HE3 LYS 14 HE3 LYS 14 -6.484 -23.844 13.459 114 HZ1 LYS 14 HZ3 LYS 14 -7.150 -22.215 15.162 115 HZ2 LYS 14 HZ1 LYS 14 -8.027 -21.381 14.040 116 HZ3 LYS 14 HZ2 LYS 14 -8.445 -22.919 14.431 117 H GLU 15 H GLU 15 -7.435 -21.268 7.957 118 HA GLU 15 HA GLU 15 -8.041 -24.123 8.232 119 HB2 GLU 15 HB2 GLU 15 -10.245 -22.021 8.343 120 HB3 GLU 15 HB3 GLU 15 -10.488 -23.762 8.143 121 HG2 GLU 15 HG2 GLU 15 -9.511 -24.176 10.365 122 HG3 GLU 15 HG3 GLU 15 -9.167 -22.459 10.572 123 HA PRO 16 HA PRO 16 -9.061 -22.551 3.796 124 HB2 PRO 16 HB2 PRO 16 -8.554 -19.929 3.095 125 HB3 PRO 16 HB3 PRO 16 -10.119 -20.523 3.723 126 HG2 PRO 16 HG2 PRO 16 -7.847 -19.225 5.250 127 HG3 PRO 16 HG3 PRO 16 -9.592 -18.789 5.274 128 HD2 PRO 16 HD2 PRO 16 -8.559 -20.327 7.188 129 HD3 PRO 16 HD3 PRO 16 -10.155 -20.720 6.500 130 H PHE 17 H PHE 17 -7.040 -23.811 4.634 131 HA PHE 17 HA PHE 17 -4.412 -22.871 4.393 132 HB2 PHE 17 HB2 PHE 17 -5.570 -25.226 5.083 133 HB3 PHE 17 HB3 PHE 17 -4.953 -25.674 3.518 134 HD1 PHE 17 HD2 PHE 17 -3.887 -24.235 6.833 135 HD2 PHE 17 HD1 PHE 17 -2.797 -26.636 3.423 136 HE1 PHE 17 HE2 PHE 17 -1.814 -24.984 7.992 137 HE2 PHE 17 HE1 PHE 17 -0.757 -27.394 4.599 138 HZ PHE 17 HZ PHE 17 -0.259 -26.565 6.877 139 H ARG 18 H ARG 18 -6.362 -24.553 1.767 140 HA ARG 18 HA ARG 18 -4.263 -24.188 -0.173 141 HB2 ARG 18 HB2 ARG 18 -5.500 -25.436 -1.616 142 HB3 ARG 18 HB3 ARG 18 -5.840 -26.113 -0.045 143 HG2 ARG 18 HG2 ARG 18 -7.895 -26.126 -1.153 144 HG3 ARG 18 HG3 ARG 18 -8.007 -24.763 -0.037 145 HD2 ARG 18 HD2 ARG 18 -8.332 -23.327 -1.787 146 HD3 ARG 18 HD3 ARG 18 -6.818 -23.807 -2.469 147 HE ARG 18 HE ARG 18 -7.865 -25.322 -3.909 148 HH11 ARG 18 HH11 ARG 18 -10.337 -23.708 -1.924 149 HH12 ARG 18 HH12 ARG 18 -11.606 -24.231 -2.957 150 HH21 ARG 18 HH21 ARG 18 -9.619 -25.988 -5.139 151 HH22 ARG 18 HH22 ARG 18 -11.228 -25.481 -4.698 152 H ASP 19 H ASP 19 -7.286 -22.614 0.592 153 HA ASP 19 HA ASP 19 -7.559 -20.994 -1.699 154 HB2 ASP 19 HB2 ASP 19 -8.758 -20.252 0.972 155 HB3 ASP 19 HB3 ASP 19 -9.471 -20.148 -0.634 156 H TYR 20 H TYR 20 -5.464 -20.641 0.841 157 HA TYR 20 HA TYR 20 -4.849 -17.810 0.102 158 HB2 TYR 20 HB2 TYR 20 -6.041 -17.748 2.201 159 HB3 TYR 20 HB3 TYR 20 -4.933 -18.918 2.878 160 HD1 TYR 20 HD2 TYR 20 -2.494 -18.260 3.250 161 HD2 TYR 20 HD1 TYR 20 -5.481 -15.364 2.155 162 HE1 TYR 20 HE2 TYR 20 -1.116 -16.461 4.284 163 HE2 TYR 20 HE1 TYR 20 -4.074 -13.553 3.140 164 HH TYR 20 HH TYR 20 -1.910 -13.039 4.160 165 H VAL 21 H VAL 21 -3.505 -21.057 1.004 166 HA VAL 21 HA VAL 21 -0.810 -20.138 1.125 167 HB VAL 21 HB VAL 21 -1.473 -22.397 1.812 168 HG11 VAL 21 HG11 VAL 21 -1.384 -23.332 -1.060 169 HG12 VAL 21 HG12 VAL 21 -1.980 -24.157 0.412 170 HG13 VAL 21 HG13 VAL 21 -2.863 -22.798 -0.317 171 HG21 VAL 21 HG23 VAL 21 0.623 -22.594 -0.360 172 HG22 VAL 21 HG21 VAL 21 0.930 -21.868 1.223 173 HG23 VAL 21 HG22 VAL 21 0.350 -23.534 1.124 174 H ASP 22 H ASP 22 -2.777 -21.067 -1.672 175 HA ASP 22 HA ASP 22 -0.840 -20.849 -3.729 176 HB2 ASP 22 HB2 ASP 22 -3.268 -21.494 -3.781 177 HB3 ASP 22 HB3 ASP 22 -3.689 -19.860 -3.594 178 H ARG 23 H ARG 23 -2.945 -18.571 -2.496 179 HA ARG 23 HA ARG 23 -1.947 -16.165 -3.680 180 HB2 ARG 23 HB2 ARG 23 -3.567 -15.887 -1.167 181 HB3 ARG 23 HB3 ARG 23 -3.665 -15.027 -2.684 182 HG2 ARG 23 HG2 ARG 23 -4.651 -17.827 -2.034 183 HG3 ARG 23 HG3 ARG 23 -5.650 -16.410 -2.294 184 HD2 ARG 23 HD2 ARG 23 -3.829 -17.089 -4.576 185 HD3 ARG 23 HD3 ARG 23 -4.968 -18.348 -4.112 186 HE ARG 23 HE ARG 23 -6.318 -15.869 -4.236 187 HH11 ARG 23 HH11 ARG 23 -4.840 -18.320 -6.324 188 HH12 ARG 23 HH12 ARG 23 -5.847 -17.945 -7.678 189 HH21 ARG 23 HH21 ARG 23 -7.736 -15.532 -6.068 190 HH22 ARG 23 HH22 ARG 23 -7.516 -16.505 -7.494 191 H PHE 24 H PHE 24 -0.969 -17.628 -0.693 192 HA PHE 24 HA PHE 24 0.744 -15.427 0.152 193 HB2 PHE 24 HB2 PHE 24 -0.300 -16.947 1.713 194 HB3 PHE 24 HB3 PHE 24 0.339 -18.347 0.878 195 HD1 PHE 24 HD2 PHE 24 1.532 -15.309 2.719 196 HD2 PHE 24 HD1 PHE 24 2.107 -19.473 1.831 197 HE1 PHE 24 HE2 PHE 24 3.527 -15.383 4.238 198 HE2 PHE 24 HE1 PHE 24 4.053 -19.529 3.303 199 HZ PHE 24 HZ PHE 24 4.947 -17.299 4.342 200 H TYR 25 H TYR 25 1.392 -18.699 -1.312 201 HA TYR 25 HA TYR 25 4.182 -18.260 -1.839 202 HB2 TYR 25 HB2 TYR 25 2.163 -20.224 -2.798 203 HB3 TYR 25 HB3 TYR 25 3.627 -20.011 -3.721 204 HD1 TYR 25 HD2 TYR 25 3.604 -19.740 0.054 205 HD2 TYR 25 HD1 TYR 25 4.565 -22.158 -3.399 206 HE1 TYR 25 HE2 TYR 25 4.722 -21.385 1.509 207 HE2 TYR 25 HE1 TYR 25 5.734 -23.783 -1.903 208 HH TYR 25 HH TYR 25 5.684 -23.529 1.655 209 H LYS 26 H LYS 26 1.398 -17.125 -3.630 210 HA LYS 26 HA LYS 26 2.485 -16.232 -6.009 211 HB2 LYS 26 HB2 LYS 26 0.298 -15.900 -5.914 212 HB3 LYS 26 HB3 LYS 26 0.266 -15.460 -4.238 213 HG2 LYS 26 HG2 LYS 26 1.110 -13.494 -6.406 214 HG3 LYS 26 HG3 LYS 26 -0.539 -13.785 -5.926 215 HD2 LYS 26 HD2 LYS 26 -0.332 -12.157 -4.436 216 HD3 LYS 26 HD3 LYS 26 0.528 -13.343 -3.453 217 HE2 LYS 26 HE2 LYS 26 1.548 -11.078 -3.558 218 HE3 LYS 26 HE3 LYS 26 2.559 -12.486 -3.812 219 HZ1 LYS 26 HZ3 LYS 26 2.438 -12.061 -6.206 220 HZ2 LYS 26 HZ1 LYS 26 1.695 -10.578 -5.879 221 HZ3 LYS 26 HZ2 LYS 26 3.218 -10.943 -5.330 222 H THR 27 H THR 27 3.600 -15.058 -2.963 223 HA THR 27 HA THR 27 5.655 -13.572 -4.468 224 HB THR 27 HB THR 27 3.844 -12.436 -2.403 225 HG1 THR 27 HG1 THR 27 4.828 -10.531 -3.504 226 HG21 THR 27 HG23 THR 27 5.703 -12.521 -1.051 227 HG22 THR 27 HG21 THR 27 6.787 -11.849 -2.301 228 HG23 THR 27 HG22 THR 27 5.501 -10.845 -1.572 229 H LEU 28 H LEU 28 4.675 -15.202 -1.386 230 HA LEU 28 HA LEU 28 7.055 -15.290 -0.100 231 HB2 LEU 28 HB2 LEU 28 5.019 -16.181 0.814 232 HB3 LEU 28 HB3 LEU 28 5.152 -17.606 -0.221 233 HG LEU 28 HG LEU 28 5.831 -17.793 2.158 234 HD11 LEU 28 HD11 LEU 28 7.556 -18.892 -0.018 235 HD12 LEU 28 HD12 LEU 28 7.969 -19.153 1.676 236 HD13 LEU 28 HD13 LEU 28 6.391 -19.648 1.019 237 HD21 LEU 28 HD23 LEU 28 8.445 -16.522 1.526 238 HD22 LEU 28 HD21 LEU 28 7.084 -15.617 2.203 239 HD23 LEU 28 HD22 LEU 28 7.722 -16.985 3.097 240 H ARG 29 H ARG 29 6.271 -17.481 -2.703 241 HA ARG 29 HA ARG 29 7.923 -19.626 -2.457 242 HB2 ARG 29 HB2 ARG 29 7.565 -19.986 -4.871 243 HB3 ARG 29 HB3 ARG 29 6.129 -19.385 -4.065 244 HG2 ARG 29 HG2 ARG 29 6.087 -17.954 -5.832 245 HG3 ARG 29 HG3 ARG 29 7.188 -17.025 -4.815 246 HD2 ARG 29 HD2 ARG 29 8.087 -17.050 -7.019 247 HD3 ARG 29 HD3 ARG 29 9.115 -18.122 -6.076 248 HE ARG 29 HE ARG 29 7.672 -20.030 -7.060 249 HH11 ARG 29 HH11 ARG 29 8.268 -17.142 -8.926 250 HH12 ARG 29 HH12 ARG 29 8.143 -17.992 -10.443 251 HH21 ARG 29 HH21 ARG 29 7.495 -21.025 -8.947 252 HH22 ARG 29 HH22 ARG 29 7.596 -20.160 -10.474 253 H ALA 30 H ALA 30 9.365 -16.708 -2.821 254 HA ALA 30 HA ALA 30 11.958 -17.830 -2.735 255 HB1 ALA 30 HB3 ALA 30 11.732 -17.900 -5.230 256 HB2 ALA 30 HB1 ALA 30 11.355 -16.160 -5.244 257 HB3 ALA 30 HB2 ALA 30 12.959 -16.725 -4.735 258 H GLU 31 H GLU 31 9.775 -15.444 -1.908 259 HA GLU 31 HA GLU 31 11.413 -13.126 -1.465 260 HB2 GLU 31 HB2 GLU 31 9.112 -12.754 -1.538 261 HB3 GLU 31 HB3 GLU 31 8.740 -14.251 -0.714 262 HG2 GLU 31 HG2 GLU 31 9.441 -13.304 1.426 263 HG3 GLU 31 HG3 GLU 31 9.754 -11.749 0.629 264 H GLN 32 H GLN 32 10.927 -16.173 0.233 265 HA GLN 32 HA GLN 32 12.938 -15.290 2.270 266 HB2 GLN 32 HB2 GLN 32 11.747 -16.176 3.969 267 HB3 GLN 32 HB3 GLN 32 10.440 -15.674 2.930 268 HG2 GLN 32 HG2 GLN 32 9.663 -17.711 3.522 269 HG3 GLN 32 HG3 GLN 32 10.489 -18.175 2.049 270 HE21 GLN 32 HE22 GLN 32 10.709 -20.408 2.889 271 HE22 GLN 32 HE21 GLN 32 11.625 -20.682 4.393 272 H ALA 33 H ALA 33 11.845 -17.985 0.261 273 HA ALA 33 HA ALA 33 14.526 -18.897 -0.226 274 HB1 ALA 33 HB3 ALA 33 14.051 -19.994 2.014 275 HB2 ALA 33 HB1 ALA 33 12.604 -20.721 1.257 276 HB3 ALA 33 HB2 ALA 33 14.223 -21.160 0.677 277 H SER 34 H SER 34 14.472 -20.694 -1.827 278 HA SER 34 HA SER 34 12.437 -20.685 -3.771 279 HB2 SER 34 HB2 SER 34 14.353 -22.927 -3.014 280 HB3 SER 34 HB3 SER 34 13.430 -22.816 -4.528 281 HG SER 34 HG SER 34 15.551 -21.965 -4.736 282 H GLN 35 H GLN 35 10.458 -21.517 -3.895 283 HA GLN 35 HA GLN 35 8.898 -22.886 -2.149 284 HB2 GLN 35 HB2 GLN 35 7.871 -23.576 -4.388 285 HB3 GLN 35 HB3 GLN 35 7.944 -21.885 -4.016 286 HG2 GLN 35 HG2 GLN 35 9.543 -21.463 -5.704 287 HG3 GLN 35 HG3 GLN 35 10.205 -23.093 -5.643 288 HE21 GLN 35 HE22 GLN 35 8.869 -24.874 -6.505 289 HE22 GLN 35 HE21 GLN 35 7.808 -24.504 -7.865 290 H GLU 36 H GLU 36 9.188 -24.760 -1.168 291 HA GLU 36 HA GLU 36 9.986 -27.242 -2.527 292 HB2 GLU 36 HB2 GLU 36 12.060 -25.694 -1.907 293 HB3 GLU 36 HB3 GLU 36 11.679 -26.162 -0.248 294 HG2 GLU 36 HG2 GLU 36 11.859 -28.597 -1.097 295 HG3 GLU 36 HG3 GLU 36 12.495 -27.923 -2.599 296 H VAL 37 H VAL 37 10.100 -29.024 -0.845 297 HA VAL 37 HA VAL 37 8.004 -28.984 1.140 298 HB VAL 37 HB VAL 37 8.963 -30.977 0.038 299 HG11 VAL 37 HG11 VAL 37 11.323 -30.779 1.931 300 HG12 VAL 37 HG12 VAL 37 10.957 -32.095 0.811 301 HG13 VAL 37 HG13 VAL 37 11.387 -30.506 0.176 302 HG21 VAL 37 HG23 VAL 37 9.184 -31.189 3.071 303 HG22 VAL 37 HG21 VAL 37 7.650 -31.033 2.216 304 HG23 VAL 37 HG22 VAL 37 8.680 -32.457 1.931 305 H LYS 38 H LYS 38 11.419 -28.263 1.274 306 HA LYS 38 HA LYS 38 11.796 -28.104 4.053 307 HB2 LYS 38 HB2 LYS 38 13.374 -28.146 1.860 308 HB3 LYS 38 HB3 LYS 38 13.412 -26.398 2.140 309 HG2 LYS 38 HG2 LYS 38 13.989 -27.040 4.585 310 HG3 LYS 38 HG3 LYS 38 14.167 -28.686 3.970 311 HD2 LYS 38 HD2 LYS 38 15.801 -26.259 3.058 312 HD3 LYS 38 HD3 LYS 38 16.314 -27.451 4.247 313 HE2 LYS 38 HE2 LYS 38 17.333 -28.470 2.530 314 HE3 LYS 38 HE3 LYS 38 15.731 -29.151 2.217 315 HZ1 LYS 38 HZ3 LYS 38 15.350 -27.444 0.564 316 HZ2 LYS 38 HZ1 LYS 38 16.747 -26.682 0.877 317 HZ3 LYS 38 HZ2 LYS 38 16.668 -28.205 0.199 318 H ASN 39 H ASN 39 9.351 -26.479 3.384 319 HA ASN 39 HA ASN 39 10.309 -23.719 3.528 320 HB2 ASN 39 HB2 ASN 39 8.327 -23.070 2.659 321 HB3 ASN 39 HB3 ASN 39 8.441 -24.703 2.015 322 HD21 ASN 39 HD22 ASN 39 6.521 -22.527 3.734 323 HD22 ASN 39 HD21 ASN 39 5.295 -23.686 4.127 324 H ALA 40 H ALA 40 11.179 -23.312 5.446 325 HA ALA 40 HA ALA 40 9.303 -22.878 7.700 326 HB1 ALA 40 HB3 ALA 40 10.398 -25.078 8.081 327 HB2 ALA 40 HB1 ALA 40 11.993 -24.301 7.967 328 HB3 ALA 40 HB2 ALA 40 10.878 -23.891 9.297 329 H MET 41 H MET 41 10.958 -21.802 9.512 330 HA MET 41 HA MET 41 12.337 -20.170 10.220 331 HB2 MET 41 HB2 MET 41 13.311 -19.743 7.369 332 HB3 MET 41 HB3 MET 41 14.011 -19.089 8.837 333 HG2 MET 41 HG2 MET 41 14.593 -21.293 9.658 334 HG3 MET 41 HG3 MET 41 13.752 -22.068 8.317 335 HE1 MET 41 HE3 MET 41 16.176 -18.857 8.022 336 HE2 MET 41 HE1 MET 41 16.829 -19.850 9.351 337 HE3 MET 41 HE2 MET 41 17.721 -19.706 7.819 338 H THR 42 H THR 42 9.725 -19.604 8.350 339 HA THR 42 HA THR 42 9.494 -16.706 9.021 340 HB THR 42 HB THR 42 8.182 -16.833 6.563 341 HG1 THR 42 HG1 THR 42 10.477 -18.355 6.107 342 HG21 THR 42 HG23 THR 42 10.043 -15.250 7.269 343 HG22 THR 42 HG21 THR 42 11.220 -16.522 6.864 344 HG23 THR 42 HG22 THR 42 10.170 -15.811 5.602 345 H GLU 43 H GLU 43 7.274 -15.992 8.490 346 HA GLU 43 HA GLU 43 5.063 -17.448 9.558 347 HB2 GLU 43 HB2 GLU 43 3.759 -15.735 8.276 348 HB3 GLU 43 HB3 GLU 43 4.970 -15.075 9.374 349 HG2 GLU 43 HG2 GLU 43 5.832 -15.510 6.540 350 HG3 GLU 43 HG3 GLU 43 4.600 -14.256 6.789 351 H THR 44 H THR 44 6.725 -18.206 6.920 352 HA THR 44 HA THR 44 4.981 -19.227 5.042 353 HB THR 44 HB THR 44 7.434 -18.953 4.849 354 HG1 THR 44 HG1 THR 44 6.668 -19.719 3.108 355 HG21 THR 44 HG23 THR 44 8.110 -20.531 6.723 356 HG22 THR 44 HG21 THR 44 7.621 -21.870 5.670 357 HG23 THR 44 HG22 THR 44 8.913 -20.781 5.161 358 H LEU 45 H LEU 45 3.370 -19.773 6.920 359 HA LEU 45 HA LEU 45 3.491 -22.221 8.199 360 HB2 LEU 45 HB2 LEU 45 0.734 -21.667 7.677 361 HB3 LEU 45 HB3 LEU 45 1.666 -21.524 9.144 362 HG LEU 45 HG LEU 45 2.113 -19.157 8.586 363 HD11 LEU 45 HD11 LEU 45 0.023 -19.578 6.371 364 HD12 LEU 45 HD12 LEU 45 0.753 -18.033 6.834 365 HD13 LEU 45 HD13 LEU 45 1.716 -19.246 6.020 366 HD21 LEU 45 HD23 LEU 45 -0.793 -20.029 8.632 367 HD22 LEU 45 HD21 LEU 45 0.291 -19.852 10.035 368 HD23 LEU 45 HD22 LEU 45 -0.155 -18.427 9.097 369 H LEU 46 H LEU 46 3.148 -22.243 4.823 370 HA LEU 46 HA LEU 46 2.036 -24.929 4.730 371 HB2 LEU 46 HB2 LEU 46 -0.039 -23.938 3.333 372 HB3 LEU 46 HB3 LEU 46 -0.057 -24.308 5.027 373 HG LEU 46 HG LEU 46 0.140 -22.004 5.675 374 HD11 LEU 46 HD11 LEU 46 -0.166 -21.035 2.879 375 HD12 LEU 46 HD12 LEU 46 0.214 -20.136 4.299 376 HD13 LEU 46 HD13 LEU 46 1.444 -21.194 3.597 377 HD21 LEU 46 HD23 LEU 46 -2.067 -21.243 4.432 378 HD22 LEU 46 HD21 LEU 46 -2.052 -22.929 3.903 379 HD23 LEU 46 HD22 LEU 46 -2.032 -22.551 5.630 380 H VAL 47 H VAL 47 1.334 -25.506 2.392 381 HA VAL 47 HA VAL 47 3.240 -24.449 0.393 382 HB VAL 47 HB VAL 47 2.647 -27.377 0.676 383 HG11 VAL 47 HG11 VAL 47 5.143 -25.906 -0.233 384 HG12 VAL 47 HG12 VAL 47 4.870 -27.646 -0.315 385 HG13 VAL 47 HG13 VAL 47 3.882 -26.559 -1.309 386 HG21 VAL 47 HG23 VAL 47 4.554 -25.884 2.429 387 HG22 VAL 47 HG21 VAL 47 3.307 -27.058 2.887 388 HG23 VAL 47 HG22 VAL 47 4.798 -27.587 2.056 389 H GLN 48 H GLN 48 2.417 -24.497 -1.657 390 HA GLN 48 HA GLN 48 -0.273 -24.598 -2.318 391 HB2 GLN 48 HB2 GLN 48 2.208 -24.978 -4.010 392 HB3 GLN 48 HB3 GLN 48 0.582 -24.950 -4.714 393 HG2 GLN 48 HG2 GLN 48 0.130 -22.760 -3.738 394 HG3 GLN 48 HG3 GLN 48 1.716 -22.717 -2.979 395 HE21 GLN 48 HE22 GLN 48 0.020 -21.662 -5.848 396 HE22 GLN 48 HE21 GLN 48 1.488 -21.477 -6.784 397 H ASN 49 H ASN 49 1.576 -27.449 -1.683 398 HA ASN 49 HA ASN 49 -0.014 -29.321 -3.142 399 HB2 ASN 49 HB2 ASN 49 1.135 -30.919 -1.805 400 HB3 ASN 49 HB3 ASN 49 2.295 -29.694 -2.261 401 HD21 ASN 49 HD22 ASN 49 3.767 -29.995 -0.512 402 HD22 ASN 49 HD21 ASN 49 3.272 -29.701 1.148 403 H ALA 50 H ALA 50 -1.003 -27.292 -0.602 404 HA ALA 50 HA ALA 50 -2.516 -28.814 1.063 405 HB1 ALA 50 HB3 ALA 50 -2.191 -26.402 1.246 406 HB2 ALA 50 HB1 ALA 50 -3.235 -26.143 -0.161 407 HB3 ALA 50 HB2 ALA 50 -3.928 -26.797 1.346 408 H ASN 51 H ASN 51 -4.001 -30.362 0.787 409 HA ASN 51 HA ASN 51 -5.728 -30.421 -1.642 410 HB2 ASN 51 HB2 ASN 51 -4.988 -32.577 -2.081 411 HB3 ASN 51 HB3 ASN 51 -3.530 -31.868 -1.490 412 HD21 ASN 51 HD22 ASN 51 -4.711 -34.721 -1.489 413 HD22 ASN 51 HD21 ASN 51 -4.472 -35.221 0.146 414 HA PRO 52 HA PRO 52 -9.120 -31.618 1.120 415 HB2 PRO 52 HB2 PRO 52 -9.671 -34.338 1.090 416 HB3 PRO 52 HB3 PRO 52 -10.264 -33.137 -0.096 417 HG2 PRO 52 HG2 PRO 52 -7.886 -34.984 -0.332 418 HG3 PRO 52 HG3 PRO 52 -9.131 -34.609 -1.560 419 HD2 PRO 52 HD2 PRO 52 -6.742 -33.451 -1.621 420 HD3 PRO 52 HD3 PRO 52 -8.185 -32.483 -2.000 421 H ASP 53 H ASP 53 -6.552 -34.106 1.382 422 HA ASP 53 HA ASP 53 -7.157 -34.963 3.924 423 HB2 ASP 53 HB2 ASP 53 -4.311 -34.951 2.897 424 HB3 ASP 53 HB3 ASP 53 -5.108 -36.129 3.942 425 H CYS 54 H CYS 54 -4.253 -32.947 3.325 426 HA CYS 54 HA CYS 54 -3.479 -32.749 5.944 427 HB2 CYS 54 HB2 CYS 54 -2.363 -30.549 5.264 428 HB3 CYS 54 HB3 CYS 54 -1.969 -31.975 4.291 429 HG CYS 54 HG CYS 54 -2.014 -30.192 2.580 430 H LYS 55 H LYS 55 -5.235 -30.277 4.326 431 HA LYS 55 HA LYS 55 -6.098 -28.496 6.320 432 HB2 LYS 55 HB2 LYS 55 -7.412 -29.790 3.950 433 HB3 LYS 55 HB3 LYS 55 -8.376 -28.683 4.950 434 HG2 LYS 55 HG2 LYS 55 -7.080 -26.825 4.478 435 HG3 LYS 55 HG3 LYS 55 -5.657 -27.772 4.029 436 HD2 LYS 55 HD2 LYS 55 -6.734 -26.512 2.180 437 HD3 LYS 55 HD3 LYS 55 -6.429 -28.202 1.868 438 HE2 LYS 55 HE2 LYS 55 -9.147 -27.067 2.754 439 HE3 LYS 55 HE3 LYS 55 -8.657 -27.207 1.064 440 HZ1 LYS 55 HZ3 LYS 55 -8.309 -29.604 1.457 441 HZ2 LYS 55 HZ1 LYS 55 -8.931 -29.491 2.937 442 HZ3 LYS 55 HZ2 LYS 55 -9.906 -29.176 1.653 443 H THR 56 H THR 56 -7.794 -31.576 5.565 444 HA THR 56 HA THR 56 -9.742 -31.246 7.642 445 HB THR 56 HB THR 56 -8.989 -33.777 6.137 446 HG1 THR 56 HG1 THR 56 -9.528 -32.535 4.552 447 HG21 THR 56 HG23 THR 56 -10.603 -34.253 7.928 448 HG22 THR 56 HG21 THR 56 -11.597 -32.859 7.441 449 HG23 THR 56 HG22 THR 56 -11.428 -34.269 6.367 450 H ILE 57 H ILE 57 -6.495 -32.274 7.761 451 HA ILE 57 HA ILE 57 -6.855 -33.733 10.353 452 HB ILE 57 HB ILE 57 -4.432 -33.326 8.578 453 HG12 ILE 57 HG12 ILE 57 -5.706 -35.982 9.290 454 HG13 ILE 57 HG13 ILE 57 -6.460 -35.004 8.045 455 HG21 ILE 57 HG21 ILE 57 -4.668 -34.824 11.223 456 HG22 ILE 57 HG22 ILE 57 -3.306 -34.975 10.097 457 HG23 ILE 57 HG23 ILE 57 -3.624 -33.428 10.881 458 HD11 ILE 57 HD13 ILE 57 -4.383 -34.909 6.757 459 HD12 ILE 57 HD11 ILE 57 -3.573 -35.937 7.966 460 HD13 ILE 57 HD12 ILE 57 -4.933 -36.573 7.012 461 H LEU 58 H LEU 58 -4.690 -31.003 9.215 462 HA LEU 58 HA LEU 58 -4.116 -30.055 11.776 463 HB2 LEU 58 HB2 LEU 58 -4.351 -28.420 9.192 464 HB3 LEU 58 HB3 LEU 58 -3.558 -27.920 10.683 465 HG LEU 58 HG LEU 58 -2.162 -30.101 10.403 466 HD11 LEU 58 HD11 LEU 58 -3.187 -29.675 7.634 467 HD12 LEU 58 HD12 LEU 58 -1.596 -30.458 7.918 468 HD13 LEU 58 HD13 LEU 58 -3.042 -31.192 8.588 469 HD21 LEU 58 HD23 LEU 58 -1.928 -27.496 8.866 470 HD22 LEU 58 HD21 LEU 58 -1.063 -28.027 10.351 471 HD23 LEU 58 HD22 LEU 58 -0.630 -28.693 8.768 472 H LYS 59 H LYS 59 -7.030 -29.546 9.937 473 HA LYS 59 HA LYS 59 -8.301 -27.490 11.345 474 HB2 LYS 59 HB2 LYS 59 -9.259 -30.083 10.219 475 HB3 LYS 59 HB3 LYS 59 -10.372 -29.192 11.245 476 HG2 LYS 59 HG2 LYS 59 -8.927 -27.727 9.025 477 HG3 LYS 59 HG3 LYS 59 -10.288 -28.756 8.639 478 HD2 LYS 59 HD2 LYS 59 -10.312 -26.379 10.568 479 HD3 LYS 59 HD3 LYS 59 -10.884 -26.351 8.899 480 HE2 LYS 59 HE2 LYS 59 -12.573 -28.159 9.571 481 HE3 LYS 59 HE3 LYS 59 -12.078 -27.875 11.248 482 HZ1 LYS 59 HZ3 LYS 59 -12.686 -25.472 10.860 483 HZ2 LYS 59 HZ1 LYS 59 -13.262 -25.836 9.437 484 HZ3 LYS 59 HZ2 LYS 59 -13.988 -26.476 10.779 485 H ALA 60 H ALA 60 -7.504 -30.615 12.660 486 HA ALA 60 HA ALA 60 -8.334 -29.679 15.386 487 HB1 ALA 60 HB3 ALA 60 -9.550 -31.679 14.604 488 HB2 ALA 60 HB1 ALA 60 -8.006 -32.518 14.330 489 HB3 ALA 60 HB2 ALA 60 -8.491 -32.060 15.977 490 H LEU 61 H LEU 61 -5.604 -30.169 13.441 491 HA LEU 61 HA LEU 61 -3.812 -30.533 15.764 492 HB2 LEU 61 HB2 LEU 61 -4.386 -32.273 13.611 493 HB3 LEU 61 HB3 LEU 61 -2.829 -31.628 13.218 494 HG LEU 61 HG LEU 61 -3.509 -32.823 15.953 495 HD11 LEU 61 HD11 LEU 61 -2.163 -34.134 13.569 496 HD12 LEU 61 HD12 LEU 61 -2.282 -34.834 15.198 497 HD13 LEU 61 HD13 LEU 61 -3.748 -34.540 14.249 498 HD21 LEU 61 HD23 LEU 61 -0.829 -32.198 14.646 499 HD22 LEU 61 HD21 LEU 61 -1.547 -31.328 16.017 500 HD23 LEU 61 HD22 LEU 61 -1.049 -33.018 16.206 501 H GLY 62 H GLY 62 -4.574 -28.078 14.431 502 HA2 GLY 62 HA2 GLY 62 -1.861 -27.017 13.668 503 HA3 GLY 62 HA3 GLY 62 -3.404 -26.326 13.167 504 HA PRO 63 HA PRO 63 -3.214 -24.887 17.689 505 HB2 PRO 63 HB2 PRO 63 -1.671 -25.991 19.622 506 HB3 PRO 63 HB3 PRO 63 -3.066 -26.882 18.956 507 HG2 PRO 63 HG2 PRO 63 -0.159 -27.108 18.063 508 HG3 PRO 63 HG3 PRO 63 -1.240 -28.431 18.618 509 HD2 PRO 63 HD2 PRO 63 -0.964 -27.842 15.975 510 HD3 PRO 63 HD3 PRO 63 -2.535 -28.330 16.684 511 H ALA 64 H ALA 64 -1.474 -24.078 15.564 512 HA ALA 64 HA ALA 64 0.338 -22.830 14.970 513 HB1 ALA 64 HB3 ALA 64 -1.072 -21.218 16.193 514 HB2 ALA 64 HB1 ALA 64 -0.126 -21.530 17.672 515 HB3 ALA 64 HB2 ALA 64 0.651 -20.801 16.254 516 H ALA 65 H ALA 65 1.070 -25.336 16.399 517 HA ALA 65 HA ALA 65 3.971 -24.698 16.424 518 HB1 ALA 65 HB3 ALA 65 3.341 -24.795 18.800 519 HB2 ALA 65 HB1 ALA 65 2.556 -26.372 18.567 520 HB3 ALA 65 HB2 ALA 65 4.319 -26.207 18.362 521 H THR 66 H THR 66 2.008 -27.734 16.932 522 HA THR 66 HA THR 66 3.558 -29.317 15.315 523 HB THR 66 HB THR 66 0.603 -29.850 15.243 524 HG1 THR 66 HG1 THR 66 1.315 -30.748 17.483 525 HG21 THR 66 HG23 THR 66 2.144 -31.567 14.430 526 HG22 THR 66 HG21 THR 66 3.082 -31.504 15.923 527 HG23 THR 66 HG22 THR 66 1.412 -32.124 15.937 528 H LEU 67 H LEU 67 1.696 -26.792 13.966 529 HA LEU 67 HA LEU 67 0.970 -27.982 11.449 530 HB2 LEU 67 HB2 LEU 67 0.206 -25.878 12.469 531 HB3 LEU 67 HB3 LEU 67 1.748 -25.139 12.089 532 HG LEU 67 HG LEU 67 -0.591 -25.779 10.223 533 HD11 LEU 67 HD11 LEU 67 1.503 -23.593 10.440 534 HD12 LEU 67 HD12 LEU 67 0.062 -23.564 9.391 535 HD13 LEU 67 HD13 LEU 67 -0.121 -23.509 11.163 536 HD21 LEU 67 HD23 LEU 67 2.222 -25.727 9.250 537 HD22 LEU 67 HD21 LEU 67 1.024 -27.081 9.181 538 HD23 LEU 67 HD22 LEU 67 0.742 -25.569 8.309 539 H GLU 68 H GLU 68 3.884 -26.238 12.516 540 HA GLU 68 HA GLU 68 5.445 -26.120 10.294 541 HB2 GLU 68 HB2 GLU 68 6.440 -27.084 13.025 542 HB3 GLU 68 HB3 GLU 68 7.436 -26.379 11.731 543 HG2 GLU 68 HG2 GLU 68 5.945 -24.348 11.834 544 HG3 GLU 68 HG3 GLU 68 5.192 -25.078 13.249 545 H GLU 69 H GLU 69 4.730 -29.126 11.888 546 HA GLU 69 HA GLU 69 6.328 -30.628 9.816 547 HB2 GLU 69 HB2 GLU 69 5.551 -32.693 10.885 548 HB3 GLU 69 HB3 GLU 69 6.450 -31.626 11.962 549 HG2 GLU 69 HG2 GLU 69 4.567 -31.023 13.213 550 HG3 GLU 69 HG3 GLU 69 3.446 -31.603 11.989 551 H MET 70 H MET 70 2.934 -30.158 10.723 552 HA MET 70 HA MET 70 1.736 -31.959 8.802 553 HB2 MET 70 HB2 MET 70 0.594 -29.616 10.208 554 HB3 MET 70 HB3 MET 70 -0.286 -30.984 9.463 555 HG2 MET 70 HG2 MET 70 1.561 -31.883 11.433 556 HG3 MET 70 HG3 MET 70 0.515 -30.602 12.079 557 HE1 MET 70 HE3 MET 70 1.124 -34.218 11.539 558 HE2 MET 70 HE1 MET 70 0.811 -33.622 13.177 559 HE3 MET 70 HE2 MET 70 -0.270 -34.833 12.445 560 H MET 71 H MET 71 2.965 -28.851 8.431 561 HA MET 71 HA MET 71 1.747 -27.489 6.365 562 HB2 MET 71 HB2 MET 71 3.481 -26.294 7.096 563 HB3 MET 71 HB3 MET 71 4.430 -27.674 7.561 564 HG2 MET 71 HG2 MET 71 4.313 -26.663 4.690 565 HG3 MET 71 HG3 MET 71 5.469 -26.104 5.830 566 HE1 MET 71 HE3 MET 71 7.801 -26.918 5.742 567 HE2 MET 71 HE1 MET 71 7.138 -27.680 7.203 568 HE3 MET 71 HE2 MET 71 8.176 -28.617 6.103 569 H THR 72 H THR 72 3.885 -30.252 6.025 570 HA THR 72 HA THR 72 2.554 -30.908 3.443 571 HB THR 72 HB THR 72 5.443 -31.355 4.161 572 HG1 THR 72 HG1 THR 72 5.159 -29.297 3.453 573 HG21 THR 72 HG23 THR 72 4.896 -33.204 2.728 574 HG22 THR 72 HG21 THR 72 3.947 -32.160 1.642 575 HG23 THR 72 HG22 THR 72 5.708 -32.019 1.707 576 H ALA 73 H ALA 73 3.683 -32.107 6.620 577 HA ALA 73 HA ALA 73 4.028 -34.797 5.849 578 HB1 ALA 73 HB3 ALA 73 4.934 -33.835 7.920 579 HB2 ALA 73 HB1 ALA 73 3.288 -33.696 8.586 580 HB3 ALA 73 HB2 ALA 73 3.982 -35.288 8.250 581 H CYS 74 H CYS 74 1.176 -33.207 5.758 582 HA CYS 74 HA CYS 74 -0.488 -35.685 6.188 583 HB2 CYS 74 HB2 CYS 74 -1.055 -32.787 6.976 584 HB3 CYS 74 HB3 CYS 74 -2.265 -34.086 7.022 585 HG CYS 74 HG CYS 74 -1.012 -33.439 9.461 586 H GLN 75 H GLN 75 0.579 -33.917 3.659 587 HA GLN 75 HA GLN 75 -2.044 -33.668 2.278 588 HB2 GLN 75 HB2 GLN 75 -0.893 -32.398 0.645 589 HB3 GLN 75 HB3 GLN 75 -0.353 -31.836 2.208 590 HG2 GLN 75 HG2 GLN 75 1.708 -31.997 1.296 591 HG3 GLN 75 HG3 GLN 75 1.594 -33.674 1.778 592 HE21 GLN 75 HE22 GLN 75 3.347 -33.735 0.025 593 HE22 GLN 75 HE21 GLN 75 2.706 -34.090 -1.587 594 H GLY 76 H GLY 76 -2.574 -34.858 0.436 595 HA2 GLY 76 HA2 GLY 76 -2.657 -36.643 -0.989 596 HA3 GLY 76 HA3 GLY 76 -0.889 -36.686 -0.939 597 H VAL 77 H VAL 77 -2.094 -37.122 2.191 598 HA VAL 77 HA VAL 77 -1.229 -39.885 2.284 599 HB VAL 77 HB VAL 77 -0.861 -38.130 4.061 600 HG11 VAL 77 HG11 VAL 77 -3.722 -38.737 4.888 601 HG12 VAL 77 HG12 VAL 77 -2.536 -37.730 5.750 602 HG13 VAL 77 HG13 VAL 77 -3.143 -37.217 4.173 603 HG21 VAL 77 HG23 VAL 77 -2.119 -40.700 5.079 604 HG22 VAL 77 HG21 VAL 77 -0.461 -40.536 4.460 605 HG23 VAL 77 HG22 VAL 77 -0.953 -39.652 5.916 606 H GLY 78 H GLY 78 -4.236 -38.438 1.594 607 HA2 GLY 78 HA2 GLY 78 -5.700 -41.046 1.856 608 HA3 GLY 78 HA3 GLY 78 -6.445 -39.437 1.759 609 H GLY 79 H GLY 79 -4.973 -38.284 -0.377 610 HA2 GLY 79 HA2 GLY 79 -4.121 -39.824 -2.442 611 HA3 GLY 79 HA3 GLY 79 -5.857 -39.854 -2.715 612 HA PRO 80 HA PRO 80 -4.149 -36.111 -4.941 613 HB2 PRO 80 HB2 PRO 80 -3.598 -37.042 -7.415 614 HB3 PRO 80 HB3 PRO 80 -2.516 -37.414 -6.045 615 HG2 PRO 80 HG2 PRO 80 -4.753 -39.163 -7.145 616 HG3 PRO 80 HG3 PRO 80 -3.033 -39.610 -6.887 617 HD2 PRO 80 HD2 PRO 80 -4.990 -40.106 -5.020 618 HD3 PRO 80 HD3 PRO 80 -3.305 -39.716 -4.565 619 H GLY 81 H GLY 81 -6.867 -36.808 -4.268 620 HA2 GLY 81 HA2 GLY 81 -8.373 -35.401 -6.193 621 HA3 GLY 81 HA3 GLY 81 -8.618 -37.117 -6.514 622 H HIS 82 H HIS 82 -10.865 -36.253 -6.011 623 HA HIS 82 HA HIS 82 -11.617 -36.763 -3.205 624 HB2 HIS 82 HB2 HIS 82 -12.883 -34.472 -3.278 625 HB3 HIS 82 HB3 HIS 82 -11.178 -34.528 -2.877 626 HD2 HIS 82 HD2 HIS 82 -12.807 -34.336 -6.450 627 HE1 HIS 82 HE1 HIS 82 -9.890 -31.256 -6.101 628 HE2 HIS 82 HE2 HIS 82 -11.567 -32.375 -7.669 629 H LYS 83 H LYS 83 -13.860 -37.096 -2.869 630 HA LYS 83 HA LYS 83 -15.837 -36.741 -5.002 631 HB2 LYS 83 HB2 LYS 83 -14.721 -38.961 -5.426 632 HB3 LYS 83 HB3 LYS 83 -15.134 -39.449 -3.781 633 HG2 LYS 83 HG2 LYS 83 -17.566 -39.233 -4.364 634 HG3 LYS 83 HG3 LYS 83 -17.127 -38.770 -6.009 635 HD2 LYS 83 HD2 LYS 83 -16.470 -41.420 -4.645 636 HD3 LYS 83 HD3 LYS 83 -17.811 -41.173 -5.754 637 HE2 LYS 83 HE2 LYS 83 -14.854 -40.856 -6.474 638 HE3 LYS 83 HE3 LYS 83 -15.827 -42.295 -6.784 639 HZ1 LYS 83 HZ3 LYS 83 -17.290 -40.928 -8.174 640 HZ2 LYS 83 HZ1 LYS 83 -16.331 -39.610 -7.933 641 HZ3 LYS 83 HZ2 LYS 83 -15.749 -40.913 -8.745 642 H ALA 84 H ALA 84 -17.911 -36.436 -4.038 643 HA ALA 84 HA ALA 84 -18.143 -36.196 -1.167 644 HB1 ALA 84 HB3 ALA 84 -19.483 -34.844 -2.740 645 HB2 ALA 84 HB1 ALA 84 -20.273 -36.318 -3.353 646 HB3 ALA 84 HB2 ALA 84 -20.528 -35.801 -1.675 647 H ARG 85 H ARG 85 -18.469 -37.780 0.291 648 HA ARG 85 HA ARG 85 -20.209 -40.076 -0.092 649 HB2 ARG 85 HB2 ARG 85 -18.497 -41.119 -1.277 650 HB3 ARG 85 HB3 ARG 85 -17.221 -40.295 -0.411 651 HG2 ARG 85 HG2 ARG 85 -17.301 -42.751 -0.118 652 HG3 ARG 85 HG3 ARG 85 -17.197 -41.811 1.354 653 HD2 ARG 85 HD2 ARG 85 -18.665 -43.886 1.379 654 HD3 ARG 85 HD3 ARG 85 -19.328 -42.420 2.073 655 HE ARG 85 HE ARG 85 -20.123 -42.627 -0.686 656 HH11 ARG 85 HH11 ARG 85 -20.964 -43.886 2.524 657 HH12 ARG 85 HH12 ARG 85 -22.563 -44.267 1.944 658 HH21 ARG 85 HH21 ARG 85 -22.366 -42.904 -1.038 659 HH22 ARG 85 HH22 ARG 85 -23.284 -43.595 0.248 660 H VAL 86 H VAL 86 -21.169 -40.257 1.805 661 HA VAL 86 HA VAL 86 -19.541 -40.611 4.234 662 HB VAL 86 HB VAL 86 -21.322 -39.398 5.600 663 HG11 VAL 86 HG11 VAL 86 -19.348 -37.711 4.022 664 HG12 VAL 86 HG12 VAL 86 -20.032 -37.348 5.618 665 HG13 VAL 86 HG13 VAL 86 -18.947 -38.730 5.420 666 HG21 VAL 86 HG23 VAL 86 -21.657 -37.769 3.032 667 HG22 VAL 86 HG21 VAL 86 -22.940 -38.706 3.825 668 HG23 VAL 86 HG22 VAL 86 -22.238 -37.320 4.641 669 H LEU 87 H LEU 87 -23.023 -40.382 3.502 670 HA LEU 87 HA LEU 87 -23.385 -43.296 4.000 671 HB2 LEU 87 HB2 LEU 87 -25.264 -40.917 4.362 672 HB3 LEU 87 HB3 LEU 87 -25.847 -42.551 4.155 673 HG LEU 87 HG LEU 87 -25.915 -41.953 6.466 674 HD11 LEU 87 HD11 LEU 87 -23.680 -43.978 6.074 675 HD12 LEU 87 HD12 LEU 87 -24.795 -43.854 7.447 676 HD13 LEU 87 HD13 LEU 87 -25.410 -44.313 5.848 677 HD21 LEU 87 HD23 LEU 87 -22.891 -41.706 6.490 678 HD22 LEU 87 HD21 LEU 87 -24.021 -40.328 6.511 679 HD23 LEU 87 HD22 LEU 87 -24.007 -41.494 7.847 Start of MODEL 24 1 H1 MET 1 H1 MET 1 7.355 -1.476 -11.165 2 H2 MET 1 H2 MET 1 6.290 -0.246 -11.101 3 H3 MET 1 H3 MET 1 6.249 -1.293 -12.384 4 HA MET 1 HA MET 1 4.443 -1.743 -10.783 5 HB2 MET 1 HB2 MET 1 6.631 -3.871 -10.922 6 HB3 MET 1 HB3 MET 1 4.975 -4.161 -10.383 7 HG2 MET 1 HG2 MET 1 4.104 -3.532 -12.593 8 HG3 MET 1 HG3 MET 1 5.754 -3.225 -13.169 9 HE1 MET 1 HE3 MET 1 3.645 -5.196 -14.623 10 HE2 MET 1 HE1 MET 1 5.285 -4.878 -15.245 11 HE3 MET 1 HE2 MET 1 4.718 -6.548 -15.038 12 H SER 2 H SER 2 4.061 -2.858 -8.555 13 HA SER 2 HA SER 2 6.293 -2.448 -6.643 14 HB2 SER 2 HB2 SER 2 4.732 -0.503 -6.460 15 HB3 SER 2 HB3 SER 2 3.447 -1.630 -5.976 16 HG SER 2 HG SER 2 4.643 -2.156 -4.157 17 HA PRO 3 HA PRO 3 4.431 -6.583 -5.872 18 HB2 PRO 3 HB2 PRO 3 6.657 -7.906 -5.099 19 HB3 PRO 3 HB3 PRO 3 6.413 -7.451 -6.812 20 HG2 PRO 3 HG2 PRO 3 8.052 -5.992 -4.712 21 HG3 PRO 3 HG3 PRO 3 8.542 -6.451 -6.374 22 HD2 PRO 3 HD2 PRO 3 7.547 -3.962 -5.680 23 HD3 PRO 3 HD3 PRO 3 7.341 -4.677 -7.311 24 H THR 4 H THR 4 4.463 -7.937 -3.836 25 HA THR 4 HA THR 4 5.578 -6.870 -1.407 26 HB THR 4 HB THR 4 3.538 -5.532 -1.441 27 HG1 THR 4 HG1 THR 4 2.807 -6.199 0.602 28 HG21 THR 4 HG23 THR 4 2.067 -7.147 -2.727 29 HG22 THR 4 HG21 THR 4 1.943 -8.109 -1.232 30 HG23 THR 4 HG22 THR 4 1.337 -6.446 -1.282 31 H SER 5 H SER 5 5.072 -8.435 0.403 32 HA SER 5 HA SER 5 5.068 -11.250 -0.612 33 HB2 SER 5 HB2 SER 5 6.946 -10.554 0.920 34 HB3 SER 5 HB3 SER 5 5.737 -10.376 2.211 35 HG SER 5 HG SER 5 6.613 -12.504 2.249 36 H ILE 6 H ILE 6 4.060 -12.403 1.774 37 HA ILE 6 HA ILE 6 1.196 -12.116 1.379 38 HB ILE 6 HB ILE 6 0.921 -13.939 2.690 39 HG12 ILE 6 HG12 ILE 6 2.852 -14.712 4.338 40 HG13 ILE 6 HG13 ILE 6 3.261 -13.033 4.400 41 HG21 ILE 6 HG21 ILE 6 3.853 -14.310 2.046 42 HG22 ILE 6 HG22 ILE 6 2.558 -15.524 2.027 43 HG23 ILE 6 HG23 ILE 6 2.584 -14.258 0.792 44 HD11 ILE 6 HD13 ILE 6 0.948 -12.534 5.241 45 HD12 ILE 6 HD11 ILE 6 0.501 -14.232 4.983 46 HD13 ILE 6 HD12 ILE 6 1.720 -13.813 6.211 47 H LEU 7 H LEU 7 3.474 -10.914 3.647 48 HA LEU 7 HA LEU 7 1.914 -10.260 5.858 49 HB2 LEU 7 HB2 LEU 7 3.850 -8.972 6.592 50 HB3 LEU 7 HB3 LEU 7 4.293 -10.503 5.865 51 HG LEU 7 HG LEU 7 4.693 -9.078 3.669 52 HD11 LEU 7 HD11 LEU 7 4.957 -6.941 5.829 53 HD12 LEU 7 HD12 LEU 7 5.561 -6.812 4.161 54 HD13 LEU 7 HD13 LEU 7 3.831 -6.915 4.458 55 HD21 LEU 7 HD23 LEU 7 6.548 -8.935 6.075 56 HD22 LEU 7 HD21 LEU 7 6.440 -10.277 4.908 57 HD23 LEU 7 HD22 LEU 7 7.017 -8.692 4.377 58 H ASP 8 H ASP 8 1.183 -8.987 3.097 59 HA ASP 8 HA ASP 8 0.442 -6.212 3.735 60 HB2 ASP 8 HB2 ASP 8 0.654 -7.904 1.395 61 HB3 ASP 8 HB3 ASP 8 -1.030 -7.489 1.565 62 H ILE 9 H ILE 9 -0.717 -9.438 4.321 63 HA ILE 9 HA ILE 9 -3.383 -8.434 5.205 64 HB ILE 9 HB ILE 9 -4.385 -10.433 4.660 65 HG12 ILE 9 HG12 ILE 9 -1.892 -11.706 3.510 66 HG13 ILE 9 HG13 ILE 9 -2.306 -11.944 5.207 67 HG21 ILE 9 HG21 ILE 9 -2.641 -9.757 2.264 68 HG22 ILE 9 HG22 ILE 9 -4.279 -10.442 2.244 69 HG23 ILE 9 HG23 ILE 9 -4.015 -8.784 2.818 70 HD11 ILE 9 HD13 ILE 9 -4.524 -12.799 4.561 71 HD12 ILE 9 HD11 ILE 9 -4.087 -12.635 2.843 72 HD13 ILE 9 HD12 ILE 9 -3.195 -13.768 3.878 73 H ARG 10 H ARG 10 -4.393 -9.935 6.861 74 HA ARG 10 HA ARG 10 -2.626 -10.354 9.119 75 HB2 ARG 10 HB2 ARG 10 -4.565 -11.394 10.210 76 HB3 ARG 10 HB3 ARG 10 -4.944 -9.828 9.508 77 HG2 ARG 10 HG2 ARG 10 -6.815 -11.053 9.022 78 HG3 ARG 10 HG3 ARG 10 -5.960 -11.140 7.503 79 HD2 ARG 10 HD2 ARG 10 -5.543 -13.419 7.688 80 HD3 ARG 10 HD3 ARG 10 -5.483 -13.405 9.443 81 HE ARG 10 HE ARG 10 -7.781 -13.853 7.718 82 HH11 ARG 10 HH11 ARG 10 -6.903 -12.880 10.937 83 HH12 ARG 10 HH12 ARG 10 -8.543 -12.926 11.535 84 HH21 ARG 10 HH21 ARG 10 -9.852 -14.036 8.524 85 HH22 ARG 10 HH22 ARG 10 -10.185 -13.660 10.191 86 H GLN 11 H GLN 11 -1.711 -12.099 9.926 87 HA GLN 11 HA GLN 11 -1.888 -14.691 8.524 88 HB2 GLN 11 HB2 GLN 11 -0.149 -15.434 10.023 89 HB3 GLN 11 HB3 GLN 11 0.348 -13.943 9.243 90 HG2 GLN 11 HG2 GLN 11 -0.215 -12.659 11.287 91 HG3 GLN 11 HG3 GLN 11 -0.748 -14.141 12.090 92 HE21 GLN 11 HE22 GLN 11 1.592 -12.169 12.633 93 HE22 GLN 11 HE21 GLN 11 2.924 -13.325 12.817 94 H GLY 12 H GLY 12 -2.227 -16.521 10.014 95 HA2 GLY 12 HA2 GLY 12 -3.170 -16.872 12.438 96 HA3 GLY 12 HA3 GLY 12 -4.640 -16.150 11.738 97 HA PRO 13 HA PRO 13 -4.000 -20.278 9.270 98 HB2 PRO 13 HB2 PRO 13 -2.062 -22.039 10.156 99 HB3 PRO 13 HB3 PRO 13 -1.753 -20.728 8.970 100 HG2 PRO 13 HG2 PRO 13 -1.319 -20.699 11.980 101 HG3 PRO 13 HG3 PRO 13 -0.166 -20.225 10.688 102 HD2 PRO 13 HD2 PRO 13 -1.623 -18.413 12.022 103 HD3 PRO 13 HD3 PRO 13 -1.361 -18.228 10.265 104 H LYS 14 H LYS 14 -4.282 -20.025 12.649 105 HA LYS 14 HA LYS 14 -4.471 -22.678 13.546 106 HB2 LYS 14 HB2 LYS 14 -5.452 -21.843 15.524 107 HB3 LYS 14 HB3 LYS 14 -4.272 -20.648 14.979 108 HG2 LYS 14 HG2 LYS 14 -6.105 -19.203 14.144 109 HG3 LYS 14 HG3 LYS 14 -7.298 -20.426 14.596 110 HD2 LYS 14 HD2 LYS 14 -6.484 -20.231 17.003 111 HD3 LYS 14 HD3 LYS 14 -5.492 -18.871 16.470 112 HE2 LYS 14 HE2 LYS 14 -7.378 -17.807 17.299 113 HE3 LYS 14 HE3 LYS 14 -7.698 -17.840 15.561 114 HZ1 LYS 14 HZ3 LYS 14 -9.219 -19.735 15.940 115 HZ2 LYS 14 HZ1 LYS 14 -8.819 -19.803 17.514 116 HZ3 LYS 14 HZ2 LYS 14 -9.647 -18.536 16.882 117 H GLU 15 H GLU 15 -6.822 -21.103 11.717 118 HA GLU 15 HA GLU 15 -8.625 -23.448 11.991 119 HB2 GLU 15 HB2 GLU 15 -9.463 -20.618 12.676 120 HB3 GLU 15 HB3 GLU 15 -10.619 -21.833 12.129 121 HG2 GLU 15 HG2 GLU 15 -9.945 -23.290 14.048 122 HG3 GLU 15 HG3 GLU 15 -8.867 -22.003 14.614 123 HA PRO 16 HA PRO 16 -10.057 -21.386 7.987 124 HB2 PRO 16 HB2 PRO 16 -9.216 -18.932 7.116 125 HB3 PRO 16 HB3 PRO 16 -10.403 -19.092 8.441 126 HG2 PRO 16 HG2 PRO 16 -7.383 -18.755 8.672 127 HG3 PRO 16 HG3 PRO 16 -8.659 -17.743 9.425 128 HD2 PRO 16 HD2 PRO 16 -7.502 -19.783 10.767 129 HD3 PRO 16 HD3 PRO 16 -9.251 -19.431 10.932 130 H PHE 17 H PHE 17 -7.869 -23.123 8.287 131 HA PHE 17 HA PHE 17 -5.481 -22.249 7.338 132 HB2 PHE 17 HB2 PHE 17 -6.123 -24.549 8.372 133 HB3 PHE 17 HB3 PHE 17 -6.258 -25.107 6.720 134 HD1 PHE 17 HD2 PHE 17 -3.737 -22.721 8.257 135 HD2 PHE 17 HD1 PHE 17 -4.355 -26.640 6.528 136 HE1 PHE 17 HE2 PHE 17 -1.331 -23.203 8.460 137 HE2 PHE 17 HE1 PHE 17 -1.923 -27.080 6.742 138 HZ PHE 17 HZ PHE 17 -0.429 -25.348 7.793 139 H ARG 18 H ARG 18 -7.817 -23.868 4.935 140 HA ARG 18 HA ARG 18 -5.895 -23.316 2.836 141 HB2 ARG 18 HB2 ARG 18 -7.403 -24.589 1.503 142 HB3 ARG 18 HB3 ARG 18 -7.212 -25.350 3.072 143 HG2 ARG 18 HG2 ARG 18 -9.520 -25.519 2.821 144 HG3 ARG 18 HG3 ARG 18 -9.405 -24.025 3.755 145 HD2 ARG 18 HD2 ARG 18 -9.254 -22.842 1.410 146 HD3 ARG 18 HD3 ARG 18 -9.585 -24.449 0.821 147 HE ARG 18 HE ARG 18 -11.418 -22.986 2.713 148 HH11 ARG 18 HH11 ARG 18 -11.112 -24.477 -0.454 149 HH12 ARG 18 HH12 ARG 18 -12.617 -23.796 -0.996 150 HH21 ARG 18 HH21 ARG 18 -13.097 -22.040 1.942 151 HH22 ARG 18 HH22 ARG 18 -13.839 -22.506 0.410 152 H ASP 19 H ASP 19 -8.894 -21.979 3.978 153 HA ASP 19 HA ASP 19 -9.397 -19.923 2.104 154 HB2 ASP 19 HB2 ASP 19 -9.901 -19.857 5.101 155 HB3 ASP 19 HB3 ASP 19 -10.782 -18.981 3.849 156 H TYR 20 H TYR 20 -6.717 -20.335 3.868 157 HA TYR 20 HA TYR 20 -5.795 -17.508 3.729 158 HB2 TYR 20 HB2 TYR 20 -6.201 -17.985 6.038 159 HB3 TYR 20 HB3 TYR 20 -5.401 -19.543 5.923 160 HD1 TYR 20 HD2 TYR 20 -4.520 -15.941 5.228 161 HD2 TYR 20 HD1 TYR 20 -3.328 -19.753 6.850 162 HE1 TYR 20 HE2 TYR 20 -2.338 -14.966 5.917 163 HE2 TYR 20 HE1 TYR 20 -1.175 -18.771 7.575 164 HH TYR 20 HH TYR 20 0.218 -16.932 7.451 165 H VAL 21 H VAL 21 -4.693 -21.012 3.539 166 HA VAL 21 HA VAL 21 -2.049 -20.450 2.805 167 HB VAL 21 HB VAL 21 -1.848 -22.603 1.975 168 HG11 VAL 21 HG11 VAL 21 -2.834 -22.406 4.420 169 HG12 VAL 21 HG12 VAL 21 -4.035 -23.498 3.705 170 HG13 VAL 21 HG13 VAL 21 -2.363 -23.948 3.629 171 HG21 VAL 21 HG23 VAL 21 -4.760 -22.548 1.259 172 HG22 VAL 21 HG21 VAL 21 -3.355 -22.838 0.258 173 HG23 VAL 21 HG22 VAL 21 -3.884 -24.079 1.422 174 H ASP 22 H ASP 22 -4.877 -20.529 0.657 175 HA ASP 22 HA ASP 22 -3.489 -20.120 -1.770 176 HB2 ASP 22 HB2 ASP 22 -6.221 -19.683 -0.619 177 HB3 ASP 22 HB3 ASP 22 -5.820 -18.781 -2.052 178 H ARG 23 H ARG 23 -4.796 -17.948 0.623 179 HA ARG 23 HA ARG 23 -4.204 -15.502 -0.776 180 HB2 ARG 23 HB2 ARG 23 -4.784 -15.608 2.213 181 HB3 ARG 23 HB3 ARG 23 -5.235 -14.393 1.022 182 HG2 ARG 23 HG2 ARG 23 -6.381 -17.165 1.464 183 HG3 ARG 23 HG3 ARG 23 -7.123 -15.592 1.752 184 HD2 ARG 23 HD2 ARG 23 -6.531 -15.350 -0.910 185 HD3 ARG 23 HD3 ARG 23 -6.729 -17.120 -0.799 186 HE ARG 23 HE ARG 23 -8.669 -15.612 0.646 187 HH11 ARG 23 HH11 ARG 23 -8.042 -17.168 -2.425 188 HH12 ARG 23 HH12 ARG 23 -9.651 -16.981 -3.033 189 HH21 ARG 23 HH21 ARG 23 -10.821 -15.515 -0.111 190 HH22 ARG 23 HH22 ARG 23 -11.230 -16.060 -1.718 191 H PHE 24 H PHE 24 -2.427 -17.378 1.604 192 HA PHE 24 HA PHE 24 -0.182 -15.645 1.852 193 HB2 PHE 24 HB2 PHE 24 -0.810 -17.490 3.383 194 HB3 PHE 24 HB3 PHE 24 -0.629 -18.665 2.111 195 HD1 PHE 24 HD1 PHE 24 1.727 -18.957 1.030 196 HD2 PHE 24 HD2 PHE 24 1.054 -16.812 4.705 197 HE1 PHE 24 HE1 PHE 24 4.141 -18.678 1.284 198 HE2 PHE 24 HE2 PHE 24 3.480 -16.770 5.086 199 HZ PHE 24 HZ PHE 24 5.055 -17.573 3.234 200 H TYR 25 H TYR 25 -0.497 -18.681 -0.181 201 HA TYR 25 HA TYR 25 2.044 -18.106 -1.403 202 HB2 TYR 25 HB2 TYR 25 -0.062 -20.178 -1.887 203 HB3 TYR 25 HB3 TYR 25 1.112 -19.890 -3.140 204 HD1 TYR 25 HD1 TYR 25 0.840 -21.014 0.459 205 HD2 TYR 25 HD2 TYR 25 3.354 -20.785 -3.049 206 HE1 TYR 25 HE1 TYR 25 2.313 -22.728 1.392 207 HE2 TYR 25 HE2 TYR 25 4.742 -22.692 -2.128 208 HH TYR 25 HH TYR 25 4.094 -24.078 1.091 209 H LYS 26 H LYS 26 -1.146 -17.009 -2.260 210 HA LYS 26 HA LYS 26 -0.937 -15.966 -4.820 211 HB2 LYS 26 HB2 LYS 26 -2.966 -15.864 -3.734 212 HB3 LYS 26 HB3 LYS 26 -2.304 -15.185 -2.262 213 HG2 LYS 26 HG2 LYS 26 -2.506 -13.549 -4.784 214 HG3 LYS 26 HG3 LYS 26 -3.864 -13.741 -3.687 215 HD2 LYS 26 HD2 LYS 26 -2.848 -12.657 -1.880 216 HD3 LYS 26 HD3 LYS 26 -1.228 -12.842 -2.486 217 HE2 LYS 26 HE2 LYS 26 -3.356 -10.922 -3.526 218 HE3 LYS 26 HE3 LYS 26 -1.860 -10.540 -2.668 219 HZ1 LYS 26 HZ3 LYS 26 -0.782 -11.780 -4.665 220 HZ2 LYS 26 HZ1 LYS 26 -2.166 -11.408 -5.456 221 HZ3 LYS 26 HZ2 LYS 26 -1.239 -10.197 -4.831 222 H THR 27 H THR 27 1.095 -14.895 -2.200 223 HA THR 27 HA THR 27 2.378 -13.033 -4.158 224 HB THR 27 HB THR 27 3.158 -11.868 -1.839 225 HG1 THR 27 HG1 THR 27 1.431 -11.614 -0.553 226 HG21 THR 27 HG23 THR 27 2.199 -10.728 -3.806 227 HG22 THR 27 HG21 THR 27 0.594 -11.353 -3.342 228 HG23 THR 27 HG22 THR 27 1.423 -10.161 -2.315 229 H LEU 28 H LEU 28 3.002 -15.131 -1.281 230 HA LEU 28 HA LEU 28 5.756 -14.717 -1.446 231 HB2 LEU 28 HB2 LEU 28 4.312 -15.881 0.321 232 HB3 LEU 28 HB3 LEU 28 4.549 -17.339 -0.616 233 HG LEU 28 HG LEU 28 6.072 -16.627 1.488 234 HD11 LEU 28 HD11 LEU 28 7.393 -17.769 -0.975 235 HD12 LEU 28 HD12 LEU 28 7.822 -18.046 0.723 236 HD13 LEU 28 HD13 LEU 28 6.275 -18.640 0.084 237 HD21 LEU 28 HD23 LEU 28 7.718 -15.365 -0.735 238 HD22 LEU 28 HD21 LEU 28 6.879 -14.479 0.545 239 HD23 LEU 28 HD22 LEU 28 8.186 -15.593 0.967 240 H ARG 29 H ARG 29 3.960 -16.951 -3.321 241 HA ARG 29 HA ARG 29 5.278 -18.674 -4.811 242 HB2 ARG 29 HB2 ARG 29 4.157 -17.732 -6.834 243 HB3 ARG 29 HB3 ARG 29 3.119 -17.807 -5.437 244 HG2 ARG 29 HG2 ARG 29 2.792 -15.538 -5.496 245 HG3 ARG 29 HG3 ARG 29 4.516 -15.275 -5.325 246 HD2 ARG 29 HD2 ARG 29 3.701 -14.115 -7.281 247 HD3 ARG 29 HD3 ARG 29 4.907 -15.352 -7.680 248 HE ARG 29 HE ARG 29 2.115 -16.234 -7.849 249 HH11 ARG 29 HH11 ARG 29 4.807 -14.965 -9.702 250 HH12 ARG 29 HH12 ARG 29 4.267 -15.704 -11.179 251 HH21 ARG 29 HH21 ARG 29 1.505 -17.185 -9.740 252 HH22 ARG 29 HH22 ARG 29 2.420 -16.925 -11.194 253 H ALA 30 H ALA 30 6.874 -15.613 -4.640 254 HA ALA 30 HA ALA 30 8.261 -15.767 -7.237 255 HB1 ALA 30 HB3 ALA 30 7.787 -13.570 -6.192 256 HB2 ALA 30 HB1 ALA 30 8.706 -14.048 -4.745 257 HB3 ALA 30 HB2 ALA 30 9.536 -13.863 -6.303 258 H GLU 31 H GLU 31 9.044 -16.274 -3.742 259 HA GLU 31 HA GLU 31 11.569 -17.689 -4.440 260 HB2 GLU 31 HB2 GLU 31 10.157 -17.012 -1.814 261 HB3 GLU 31 HB3 GLU 31 11.624 -17.983 -1.899 262 HG2 GLU 31 HG2 GLU 31 11.390 -15.120 -2.933 263 HG3 GLU 31 HG3 GLU 31 12.028 -15.573 -1.357 264 H GLN 32 H GLN 32 8.329 -18.333 -3.087 265 HA GLN 32 HA GLN 32 8.774 -21.268 -3.211 266 HB2 GLN 32 HB2 GLN 32 6.478 -19.576 -2.201 267 HB3 GLN 32 HB3 GLN 32 6.301 -21.295 -2.488 268 HG2 GLN 32 HG2 GLN 32 8.437 -20.131 -0.697 269 HG3 GLN 32 HG3 GLN 32 6.881 -20.742 -0.110 270 HE21 GLN 32 HE22 GLN 32 6.886 -23.183 -1.977 271 HE22 GLN 32 HE21 GLN 32 8.120 -24.174 -1.213 272 H ALA 33 H ALA 33 9.316 -20.547 -5.492 273 HA ALA 33 HA ALA 33 7.351 -20.119 -7.490 274 HB1 ALA 33 HB3 ALA 33 9.771 -19.778 -7.774 275 HB2 ALA 33 HB1 ALA 33 10.044 -21.534 -7.681 276 HB3 ALA 33 HB2 ALA 33 9.129 -20.842 -9.040 277 H SER 34 H SER 34 7.621 -22.893 -5.630 278 HA SER 34 HA SER 34 5.666 -24.357 -7.190 279 HB2 SER 34 HB2 SER 34 6.913 -26.382 -7.503 280 HB3 SER 34 HB3 SER 34 7.866 -25.067 -8.202 281 HG SER 34 HG SER 34 9.388 -25.715 -6.922 282 H GLN 35 H GLN 35 5.288 -26.607 -5.908 283 HA GLN 35 HA GLN 35 4.900 -25.858 -3.096 284 HB2 GLN 35 HB2 GLN 35 3.063 -26.851 -4.451 285 HB3 GLN 35 HB3 GLN 35 3.962 -28.355 -4.568 286 HG2 GLN 35 HG2 GLN 35 2.060 -28.062 -2.767 287 HG3 GLN 35 HG3 GLN 35 3.522 -28.935 -2.353 288 HE21 GLN 35 HE22 GLN 35 4.747 -28.208 -0.635 289 HE22 GLN 35 HE21 GLN 35 4.443 -26.699 0.212 290 H GLU 36 H GLU 36 7.547 -26.027 -3.594 291 HA GLU 36 HA GLU 36 8.866 -28.464 -2.993 292 HB2 GLU 36 HB2 GLU 36 10.004 -26.474 -3.885 293 HB3 GLU 36 HB3 GLU 36 9.643 -25.580 -2.391 294 HG2 GLU 36 HG2 GLU 36 10.907 -27.266 -1.101 295 HG3 GLU 36 HG3 GLU 36 11.292 -28.136 -2.595 296 H VAL 37 H VAL 37 9.047 -29.620 -1.203 297 HA VAL 37 HA VAL 37 7.604 -29.244 1.169 298 HB VAL 37 HB VAL 37 9.941 -31.014 0.391 299 HG11 VAL 37 HG11 VAL 37 8.399 -31.138 3.000 300 HG12 VAL 37 HG12 VAL 37 9.402 -32.466 2.348 301 HG13 VAL 37 HG13 VAL 37 10.150 -30.919 2.777 302 HG21 VAL 37 HG23 VAL 37 6.965 -31.523 0.801 303 HG22 VAL 37 HG21 VAL 37 7.792 -31.383 -0.758 304 HG23 VAL 37 HG22 VAL 37 8.160 -32.740 0.311 305 H LYS 38 H LYS 38 10.688 -27.820 0.486 306 HA LYS 38 HA LYS 38 11.655 -27.552 3.224 307 HB2 LYS 38 HB2 LYS 38 12.173 -25.971 0.679 308 HB3 LYS 38 HB3 LYS 38 13.000 -25.676 2.213 309 HG2 LYS 38 HG2 LYS 38 13.675 -28.178 2.082 310 HG3 LYS 38 HG3 LYS 38 13.303 -28.042 0.360 311 HD2 LYS 38 HD2 LYS 38 15.234 -26.177 1.847 312 HD3 LYS 38 HD3 LYS 38 15.717 -27.696 1.124 313 HE2 LYS 38 HE2 LYS 38 16.374 -26.039 -0.393 314 HE3 LYS 38 HE3 LYS 38 15.013 -26.886 -1.120 315 HZ1 LYS 38 HZ3 LYS 38 13.613 -25.041 -0.706 316 HZ2 LYS 38 HZ1 LYS 38 14.704 -24.248 0.250 317 HZ3 LYS 38 HZ2 LYS 38 14.907 -24.470 -1.388 318 H ASN 39 H ASN 39 8.961 -26.217 1.786 319 HA ASN 39 HA ASN 39 8.941 -23.610 1.993 320 HB2 ASN 39 HB2 ASN 39 6.663 -23.577 1.900 321 HB3 ASN 39 HB3 ASN 39 7.216 -24.964 1.008 322 HD21 ASN 39 HD22 ASN 39 5.004 -23.762 2.936 323 HD22 ASN 39 HD21 ASN 39 4.260 -25.229 3.484 324 H ALA 40 H ALA 40 8.686 -25.328 5.073 325 HA ALA 40 HA ALA 40 8.065 -23.206 6.767 326 HB1 ALA 40 HB3 ALA 40 8.441 -25.595 7.407 327 HB2 ALA 40 HB1 ALA 40 10.186 -25.367 7.172 328 HB3 ALA 40 HB2 ALA 40 9.333 -24.468 8.444 329 H MET 41 H MET 41 10.971 -23.368 4.828 330 HA MET 41 HA MET 41 12.607 -21.676 6.469 331 HB2 MET 41 HB2 MET 41 14.148 -21.657 4.631 332 HB3 MET 41 HB3 MET 41 13.502 -23.277 4.834 333 HG2 MET 41 HG2 MET 41 12.051 -23.006 2.891 334 HG3 MET 41 HG3 MET 41 12.502 -21.316 2.726 335 HE1 MET 41 HE3 MET 41 14.266 -20.467 1.209 336 HE2 MET 41 HE1 MET 41 15.247 -20.696 2.669 337 HE3 MET 41 HE2 MET 41 15.874 -21.207 1.084 338 H THR 42 H THR 42 9.897 -20.471 5.670 339 HA THR 42 HA THR 42 10.740 -17.722 5.036 340 HB THR 42 HB THR 42 8.855 -17.576 3.258 341 HG1 THR 42 HG1 THR 42 9.231 -20.377 3.361 342 HG21 THR 42 HG23 THR 42 11.264 -17.515 2.601 343 HG22 THR 42 HG21 THR 42 11.256 -19.287 2.468 344 HG23 THR 42 HG22 THR 42 10.236 -18.309 1.396 345 H GLU 43 H GLU 43 8.417 -16.378 4.949 346 HA GLU 43 HA GLU 43 6.957 -16.792 7.332 347 HB2 GLU 43 HB2 GLU 43 5.173 -15.406 6.146 348 HB3 GLU 43 HB3 GLU 43 6.749 -14.667 6.386 349 HG2 GLU 43 HG2 GLU 43 6.268 -16.028 3.767 350 HG3 GLU 43 HG3 GLU 43 5.351 -14.553 4.075 351 H THR 44 H THR 44 6.749 -18.689 4.538 352 HA THR 44 HA THR 44 4.160 -19.639 4.415 353 HB THR 44 HB THR 44 6.521 -21.347 3.696 354 HG1 THR 44 HG1 THR 44 7.157 -19.647 2.665 355 HG21 THR 44 HG23 THR 44 4.265 -22.225 3.238 356 HG22 THR 44 HG21 THR 44 3.856 -20.742 2.395 357 HG23 THR 44 HG22 THR 44 5.123 -21.790 1.735 358 H LEU 45 H LEU 45 4.045 -19.590 6.836 359 HA LEU 45 HA LEU 45 4.151 -22.141 8.141 360 HB2 LEU 45 HB2 LEU 45 2.458 -20.952 9.691 361 HB3 LEU 45 HB3 LEU 45 4.155 -20.541 9.613 362 HG LEU 45 HG LEU 45 3.872 -18.497 8.785 363 HD11 LEU 45 HD11 LEU 45 0.941 -19.003 8.143 364 HD12 LEU 45 HD12 LEU 45 1.794 -17.434 8.029 365 HD13 LEU 45 HD13 LEU 45 2.230 -18.724 6.944 366 HD21 LEU 45 HD23 LEU 45 1.489 -18.817 10.581 367 HD22 LEU 45 HD21 LEU 45 3.191 -18.811 11.103 368 HD23 LEU 45 HD22 LEU 45 2.497 -17.379 10.331 369 H LEU 46 H LEU 46 3.095 -22.725 5.594 370 HA LEU 46 HA LEU 46 0.860 -24.350 6.110 371 HB2 LEU 46 HB2 LEU 46 -0.933 -23.228 4.990 372 HB3 LEU 46 HB3 LEU 46 -0.538 -22.427 6.424 373 HG LEU 46 HG LEU 46 -1.147 -20.958 4.548 374 HD11 LEU 46 HD11 LEU 46 1.602 -20.243 5.462 375 HD12 LEU 46 HD12 LEU 46 0.203 -19.200 5.142 376 HD13 LEU 46 HD13 LEU 46 0.182 -20.290 6.542 377 HD21 LEU 46 HD23 LEU 46 1.659 -21.437 3.464 378 HD22 LEU 46 HD21 LEU 46 0.184 -22.095 2.716 379 HD23 LEU 46 HD22 LEU 46 0.423 -20.368 2.816 380 H VAL 47 H VAL 47 -0.501 -24.783 3.745 381 HA VAL 47 HA VAL 47 1.449 -24.858 1.500 382 HB VAL 47 HB VAL 47 0.148 -27.231 2.840 383 HG11 VAL 47 HG11 VAL 47 1.140 -27.183 -0.027 384 HG12 VAL 47 HG12 VAL 47 0.934 -28.659 0.941 385 HG13 VAL 47 HG13 VAL 47 -0.459 -27.661 0.553 386 HG21 VAL 47 HG23 VAL 47 2.965 -26.581 1.855 387 HG22 VAL 47 HG21 VAL 47 2.388 -26.617 3.538 388 HG23 VAL 47 HG22 VAL 47 2.467 -28.112 2.608 389 H GLN 48 H GLN 48 0.616 -24.453 -0.350 390 HA GLN 48 HA GLN 48 -1.695 -23.433 -1.287 391 HB2 GLN 48 HB2 GLN 48 0.063 -25.532 -2.593 392 HB3 GLN 48 HB3 GLN 48 -1.209 -24.658 -3.458 393 HG2 GLN 48 HG2 GLN 48 -0.118 -22.532 -3.088 394 HG3 GLN 48 HG3 GLN 48 1.056 -23.287 -2.003 395 HE21 GLN 48 HE22 GLN 48 2.764 -24.559 -2.860 396 HE22 GLN 48 HE21 GLN 48 3.153 -24.395 -4.582 397 H ASN 49 H ASN 49 -3.816 -24.021 -1.116 398 HA ASN 49 HA ASN 49 -5.646 -25.079 -0.434 399 HB2 ASN 49 HB2 ASN 49 -5.703 -25.477 -2.786 400 HB3 ASN 49 HB3 ASN 49 -4.601 -26.823 -2.650 401 HD21 ASN 49 HD22 ASN 49 -5.469 -28.841 -2.239 402 HD22 ASN 49 HD21 ASN 49 -7.211 -29.096 -2.108 403 H ALA 50 H ALA 50 -2.840 -27.068 0.064 404 HA ALA 50 HA ALA 50 -2.416 -29.077 0.996 405 HB1 ALA 50 HB3 ALA 50 -2.399 -27.700 2.919 406 HB2 ALA 50 HB1 ALA 50 -4.148 -27.768 3.097 407 HB3 ALA 50 HB2 ALA 50 -3.148 -29.226 3.390 408 H ASN 51 H ASN 51 -4.836 -30.287 2.821 409 HA ASN 51 HA ASN 51 -6.208 -31.680 0.671 410 HB2 ASN 51 HB2 ASN 51 -5.253 -33.717 0.822 411 HB3 ASN 51 HB3 ASN 51 -3.819 -32.800 1.208 412 HD21 ASN 51 HD22 ASN 51 -4.092 -35.497 1.788 413 HD22 ASN 51 HD21 ASN 51 -4.818 -35.778 3.351 414 HA PRO 52 HA PRO 52 -9.451 -31.555 3.481 415 HB2 PRO 52 HB2 PRO 52 -10.805 -33.942 3.441 416 HB3 PRO 52 HB3 PRO 52 -10.766 -32.795 2.069 417 HG2 PRO 52 HG2 PRO 52 -9.062 -35.267 2.482 418 HG3 PRO 52 HG3 PRO 52 -9.935 -34.757 1.003 419 HD2 PRO 52 HD2 PRO 52 -7.285 -34.294 1.367 420 HD3 PRO 52 HD3 PRO 52 -8.318 -33.104 0.512 421 H ASP 53 H ASP 53 -7.458 -34.479 4.112 422 HA ASP 53 HA ASP 53 -8.587 -34.916 6.718 423 HB2 ASP 53 HB2 ASP 53 -5.858 -35.900 5.947 424 HB3 ASP 53 HB3 ASP 53 -7.133 -36.722 6.847 425 H CYS 54 H CYS 54 -5.516 -33.387 5.671 426 HA CYS 54 HA CYS 54 -4.546 -32.295 8.091 427 HB2 CYS 54 HB2 CYS 54 -3.196 -32.126 6.159 428 HB3 CYS 54 HB3 CYS 54 -4.544 -31.479 5.187 429 HG CYS 54 HG CYS 54 -2.831 -29.941 7.531 430 H LYS 55 H LYS 55 -7.252 -31.164 6.105 431 HA LYS 55 HA LYS 55 -7.518 -28.504 7.370 432 HB2 LYS 55 HB2 LYS 55 -9.061 -30.175 5.434 433 HB3 LYS 55 HB3 LYS 55 -10.053 -29.274 6.535 434 HG2 LYS 55 HG2 LYS 55 -9.998 -27.855 4.789 435 HG3 LYS 55 HG3 LYS 55 -8.710 -27.167 5.756 436 HD2 LYS 55 HD2 LYS 55 -8.088 -29.147 3.500 437 HD3 LYS 55 HD3 LYS 55 -8.486 -27.491 3.137 438 HE2 LYS 55 HE2 LYS 55 -6.170 -27.586 3.170 439 HE3 LYS 55 HE3 LYS 55 -6.610 -26.747 4.667 440 HZ1 LYS 55 HZ3 LYS 55 -6.316 -28.826 5.854 441 HZ2 LYS 55 HZ1 LYS 55 -6.107 -29.655 4.489 442 HZ3 LYS 55 HZ2 LYS 55 -4.940 -28.592 4.977 443 H THR 56 H THR 56 -9.369 -31.547 7.803 444 HA THR 56 HA THR 56 -10.856 -30.787 10.076 445 HB THR 56 HB THR 56 -9.723 -33.541 9.450 446 HG1 THR 56 HG1 THR 56 -11.337 -33.756 8.043 447 HG21 THR 56 HG23 THR 56 -10.943 -33.497 11.591 448 HG22 THR 56 HG21 THR 56 -12.310 -32.667 10.813 449 HG23 THR 56 HG22 THR 56 -11.901 -34.339 10.366 450 H ILE 57 H ILE 57 -7.530 -31.682 9.781 451 HA ILE 57 HA ILE 57 -7.130 -32.307 12.636 452 HB ILE 57 HB ILE 57 -5.281 -32.135 10.257 453 HG12 ILE 57 HG12 ILE 57 -5.894 -34.506 12.079 454 HG13 ILE 57 HG13 ILE 57 -6.929 -34.105 10.715 455 HG21 ILE 57 HG21 ILE 57 -4.452 -32.803 13.105 456 HG22 ILE 57 HG22 ILE 57 -3.441 -32.999 11.660 457 HG23 ILE 57 HG23 ILE 57 -3.898 -31.396 12.176 458 HD11 ILE 57 HD13 ILE 57 -4.914 -34.174 9.221 459 HD12 ILE 57 HD11 ILE 57 -3.994 -34.854 10.578 460 HD13 ILE 57 HD12 ILE 57 -5.393 -35.734 9.923 461 H LEU 58 H LEU 58 -5.360 -29.772 10.642 462 HA LEU 58 HA LEU 58 -4.519 -28.519 13.013 463 HB2 LEU 58 HB2 LEU 58 -4.881 -27.183 10.276 464 HB3 LEU 58 HB3 LEU 58 -3.989 -26.527 11.650 465 HG LEU 58 HG LEU 58 -2.700 -28.832 11.556 466 HD11 LEU 58 HD11 LEU 58 -3.933 -28.605 8.863 467 HD12 LEU 58 HD12 LEU 58 -2.333 -29.416 9.068 468 HD13 LEU 58 HD13 LEU 58 -3.733 -30.017 9.931 469 HD21 LEU 58 HD23 LEU 58 -2.347 -26.297 9.946 470 HD22 LEU 58 HD21 LEU 58 -1.335 -26.959 11.257 471 HD23 LEU 58 HD22 LEU 58 -1.220 -27.620 9.618 472 H LYS 59 H LYS 59 -7.524 -28.210 11.385 473 HA LYS 59 HA LYS 59 -8.687 -25.930 12.527 474 HB2 LYS 59 HB2 LYS 59 -9.687 -28.629 11.823 475 HB3 LYS 59 HB3 LYS 59 -10.718 -27.711 12.891 476 HG2 LYS 59 HG2 LYS 59 -9.701 -26.200 10.503 477 HG3 LYS 59 HG3 LYS 59 -10.808 -27.524 10.188 478 HD2 LYS 59 HD2 LYS 59 -12.038 -25.417 10.406 479 HD3 LYS 59 HD3 LYS 59 -12.502 -26.558 11.678 480 HE2 LYS 59 HE2 LYS 59 -10.981 -25.367 13.272 481 HE3 LYS 59 HE3 LYS 59 -10.555 -24.234 11.990 482 HZ1 LYS 59 HZ3 LYS 59 -12.841 -23.447 11.969 483 HZ2 LYS 59 HZ1 LYS 59 -13.292 -24.578 13.090 484 HZ3 LYS 59 HZ2 LYS 59 -12.290 -23.362 13.494 485 H ALA 60 H ALA 60 -7.753 -28.773 14.273 486 HA ALA 60 HA ALA 60 -8.198 -27.316 16.836 487 HB1 ALA 60 HB3 ALA 60 -9.950 -29.032 16.563 488 HB2 ALA 60 HB1 ALA 60 -8.699 -30.279 16.337 489 HB3 ALA 60 HB2 ALA 60 -8.854 -29.439 17.896 490 H LEU 61 H LEU 61 -5.813 -28.250 14.859 491 HA LEU 61 HA LEU 61 -3.934 -28.980 17.046 492 HB2 LEU 61 HB2 LEU 61 -4.729 -30.639 14.986 493 HB3 LEU 61 HB3 LEU 61 -3.260 -29.989 14.332 494 HG LEU 61 HG LEU 61 -3.481 -31.212 17.129 495 HD11 LEU 61 HD11 LEU 61 -2.451 -32.511 14.586 496 HD12 LEU 61 HD12 LEU 61 -2.411 -33.213 16.216 497 HD13 LEU 61 HD13 LEU 61 -3.968 -32.907 15.435 498 HD21 LEU 61 HD23 LEU 61 -1.053 -30.553 15.416 499 HD22 LEU 61 HD21 LEU 61 -1.525 -29.747 16.929 500 HD23 LEU 61 HD22 LEU 61 -1.009 -31.440 16.958 501 H GLY 62 H GLY 62 -4.482 -26.354 16.247 502 HA2 GLY 62 HA2 GLY 62 -1.827 -25.453 15.168 503 HA3 GLY 62 HA3 GLY 62 -3.308 -24.502 15.178 504 HA PRO 63 HA PRO 63 -1.857 -24.100 19.708 505 HB2 PRO 63 HB2 PRO 63 -0.162 -25.790 20.950 506 HB3 PRO 63 HB3 PRO 63 -1.830 -26.299 20.569 507 HG2 PRO 63 HG2 PRO 63 0.672 -26.826 18.916 508 HG3 PRO 63 HG3 PRO 63 -0.521 -28.027 19.512 509 HD2 PRO 63 HD2 PRO 63 -0.673 -26.925 17.013 510 HD3 PRO 63 HD3 PRO 63 -2.129 -27.347 17.975 511 H ALA 64 H ALA 64 -0.713 -23.006 17.463 512 HA ALA 64 HA ALA 64 0.893 -21.721 16.595 513 HB1 ALA 64 HB3 ALA 64 0.446 -20.544 18.684 514 HB2 ALA 64 HB1 ALA 64 1.774 -21.425 19.478 515 HB3 ALA 64 HB2 ALA 64 2.121 -20.308 18.147 516 H ALA 65 H ALA 65 2.217 -24.573 18.002 517 HA ALA 65 HA ALA 65 4.785 -24.118 16.490 518 HB1 ALA 65 HB3 ALA 65 5.011 -24.196 18.938 519 HB2 ALA 65 HB1 ALA 65 4.220 -25.789 18.979 520 HB3 ALA 65 HB2 ALA 65 5.792 -25.590 18.168 521 H THR 66 H THR 66 2.739 -27.009 17.470 522 HA THR 66 HA THR 66 3.909 -28.761 15.718 523 HB THR 66 HB THR 66 0.926 -28.964 16.034 524 HG1 THR 66 HG1 THR 66 1.707 -29.951 18.149 525 HG21 THR 66 HG23 THR 66 2.164 -30.844 15.014 526 HG22 THR 66 HG21 THR 66 3.239 -30.926 16.411 527 HG23 THR 66 HG22 THR 66 1.510 -31.321 16.580 528 H LEU 67 H LEU 67 1.926 -26.155 14.664 529 HA LEU 67 HA LEU 67 0.908 -27.035 12.196 530 HB2 LEU 67 HB2 LEU 67 0.655 -24.886 13.343 531 HB3 LEU 67 HB3 LEU 67 2.247 -24.416 12.804 532 HG LEU 67 HG LEU 67 -0.340 -24.639 11.158 533 HD11 LEU 67 HD11 LEU 67 1.998 -22.698 11.382 534 HD12 LEU 67 HD12 LEU 67 0.502 -22.422 10.459 535 HD13 LEU 67 HD13 LEU 67 0.452 -22.516 12.243 536 HD21 LEU 67 HD23 LEU 67 2.382 -24.816 9.939 537 HD22 LEU 67 HD21 LEU 67 0.969 -25.936 9.806 538 HD23 LEU 67 HD22 LEU 67 0.902 -24.312 9.120 539 H GLU 68 H GLU 68 4.217 -25.830 12.935 540 HA GLU 68 HA GLU 68 5.460 -25.823 10.521 541 HB2 GLU 68 HB2 GLU 68 6.501 -27.140 13.085 542 HB3 GLU 68 HB3 GLU 68 7.506 -26.797 11.654 543 HG2 GLU 68 HG2 GLU 68 6.667 -24.388 11.897 544 HG3 GLU 68 HG3 GLU 68 6.099 -24.913 13.487 545 H GLU 69 H GLU 69 4.841 -28.858 12.219 546 HA GLU 69 HA GLU 69 5.774 -30.409 9.856 547 HB2 GLU 69 HB2 GLU 69 5.136 -32.395 10.914 548 HB3 GLU 69 HB3 GLU 69 5.932 -31.379 12.118 549 HG2 GLU 69 HG2 GLU 69 3.907 -30.958 13.274 550 HG3 GLU 69 HG3 GLU 69 2.899 -31.555 11.968 551 H MET 70 H MET 70 2.688 -29.321 11.128 552 HA MET 70 HA MET 70 0.958 -31.048 9.657 553 HB2 MET 70 HB2 MET 70 0.421 -28.405 10.835 554 HB3 MET 70 HB3 MET 70 -0.758 -29.633 10.335 555 HG2 MET 70 HG2 MET 70 1.224 -30.434 12.314 556 HG3 MET 70 HG3 MET 70 -0.053 -29.314 12.810 557 HE1 MET 70 HE3 MET 70 0.830 -32.801 11.205 558 HE2 MET 70 HE1 MET 70 0.935 -32.884 12.974 559 HE3 MET 70 HE2 MET 70 -0.294 -33.829 12.118 560 H MET 71 H MET 71 2.361 -28.030 8.961 561 HA MET 71 HA MET 71 1.196 -26.738 6.804 562 HB2 MET 71 HB2 MET 71 3.286 -26.056 7.930 563 HB3 MET 71 HB3 MET 71 4.093 -27.496 7.404 564 HG2 MET 71 HG2 MET 71 3.961 -26.619 4.969 565 HG3 MET 71 HG3 MET 71 3.407 -25.106 5.643 566 HE1 MET 71 HE3 MET 71 4.793 -24.059 7.761 567 HE2 MET 71 HE1 MET 71 5.492 -25.522 8.486 568 HE3 MET 71 HE2 MET 71 6.552 -24.217 7.941 569 H THR 72 H THR 72 3.674 -29.213 6.427 570 HA THR 72 HA THR 72 2.633 -30.001 3.771 571 HB THR 72 HB THR 72 5.236 -30.941 4.595 572 HG1 THR 72 HG1 THR 72 5.634 -28.292 3.992 573 HG21 THR 72 HG23 THR 72 4.402 -30.865 2.225 574 HG22 THR 72 HG21 THR 72 4.520 -29.095 2.256 575 HG23 THR 72 HG22 THR 72 5.975 -30.090 2.441 576 H ALA 73 H ALA 73 2.638 -31.297 6.981 577 HA ALA 73 HA ALA 73 3.135 -34.027 6.422 578 HB1 ALA 73 HB3 ALA 73 2.679 -33.194 8.698 579 HB2 ALA 73 HB1 ALA 73 1.002 -32.807 8.234 580 HB3 ALA 73 HB2 ALA 73 1.562 -34.491 8.273 581 H CYS 74 H CYS 74 0.481 -31.929 5.618 582 HA CYS 74 HA CYS 74 -1.591 -33.654 4.848 583 HB2 CYS 74 HB2 CYS 74 -2.487 -31.758 3.744 584 HB3 CYS 74 HB3 CYS 74 -1.591 -31.167 5.166 585 HG CYS 74 HG CYS 74 0.140 -29.850 4.099 586 H GLN 75 H GLN 75 1.419 -33.417 3.223 587 HA GLN 75 HA GLN 75 0.528 -34.117 0.556 588 HB2 GLN 75 HB2 GLN 75 2.793 -34.136 0.070 589 HB3 GLN 75 HB3 GLN 75 2.675 -32.973 1.415 590 HG2 GLN 75 HG2 GLN 75 3.380 -34.847 2.969 591 HG3 GLN 75 HG3 GLN 75 3.688 -35.847 1.541 592 HE21 GLN 75 HE22 GLN 75 4.825 -33.135 3.432 593 HE22 GLN 75 HE21 GLN 75 6.392 -33.043 2.598 594 H GLY 76 H GLY 76 1.253 -35.928 3.457 595 HA2 GLY 76 HA2 GLY 76 0.426 -38.489 2.203 596 HA3 GLY 76 HA3 GLY 76 2.039 -38.397 2.925 597 H VAL 77 H VAL 77 -0.221 -36.418 4.516 598 HA VAL 77 HA VAL 77 -0.167 -37.627 6.999 599 HB VAL 77 HB VAL 77 -1.003 -35.342 6.451 600 HG11 VAL 77 HG11 VAL 77 -3.668 -36.690 5.922 601 HG12 VAL 77 HG12 VAL 77 -3.368 -34.948 6.019 602 HG13 VAL 77 HG13 VAL 77 -2.649 -35.897 4.705 603 HG21 VAL 77 HG23 VAL 77 -2.854 -36.800 8.337 604 HG22 VAL 77 HG21 VAL 77 -1.203 -36.277 8.724 605 HG23 VAL 77 HG22 VAL 77 -2.443 -35.075 8.327 606 H GLY 78 H GLY 78 -2.053 -38.794 4.368 607 HA2 GLY 78 HA2 GLY 78 -2.652 -41.199 5.826 608 HA3 GLY 78 HA3 GLY 78 -4.121 -40.331 5.347 609 H GLY 79 H GLY 79 -3.420 -42.879 4.386 610 HA2 GLY 79 HA2 GLY 79 -2.646 -42.473 1.513 611 HA3 GLY 79 HA3 GLY 79 -2.215 -43.874 2.484 612 HA PRO 80 HA PRO 80 -6.960 -44.284 1.833 613 HB2 PRO 80 HB2 PRO 80 -8.256 -42.712 -0.004 614 HB3 PRO 80 HB3 PRO 80 -7.954 -42.193 1.685 615 HG2 PRO 80 HG2 PRO 80 -6.311 -41.539 -0.785 616 HG3 PRO 80 HG3 PRO 80 -6.923 -40.408 0.466 617 HD2 PRO 80 HD2 PRO 80 -4.384 -41.389 0.533 618 HD3 PRO 80 HD3 PRO 80 -5.318 -41.134 2.036 619 H GLY 81 H GLY 81 -7.984 -45.732 0.491 620 HA2 GLY 81 HA2 GLY 81 -6.667 -46.799 -1.867 621 HA3 GLY 81 HA3 GLY 81 -8.247 -47.254 -1.236 622 H HIS 82 H HIS 82 -8.484 -47.363 -3.621 623 HA HIS 82 HA HIS 82 -8.771 -45.337 -5.480 624 HB2 HIS 82 HB2 HIS 82 -10.356 -46.999 -6.561 625 HB3 HIS 82 HB3 HIS 82 -8.744 -47.556 -6.154 626 HD2 HIS 82 HD2 HIS 82 -11.426 -47.472 -3.369 627 HE1 HIS 82 HE1 HIS 82 -10.662 -51.560 -4.331 628 HE2 HIS 82 HE2 HIS 82 -11.896 -49.993 -2.739 629 H LYS 83 H LYS 83 -9.615 -43.702 -3.826 630 HA LYS 83 HA LYS 83 -12.430 -43.403 -3.362 631 HB2 LYS 83 HB2 LYS 83 -10.388 -42.602 -2.093 632 HB3 LYS 83 HB3 LYS 83 -10.208 -41.310 -3.276 633 HG2 LYS 83 HG2 LYS 83 -12.311 -40.300 -2.526 634 HG3 LYS 83 HG3 LYS 83 -12.695 -41.734 -1.548 635 HD2 LYS 83 HD2 LYS 83 -10.658 -41.341 -0.167 636 HD3 LYS 83 HD3 LYS 83 -10.303 -39.881 -1.107 637 HE2 LYS 83 HE2 LYS 83 -12.389 -38.840 -0.317 638 HE3 LYS 83 HE3 LYS 83 -12.844 -40.325 0.524 639 HZ1 LYS 83 HZ3 LYS 83 -10.902 -40.029 1.981 640 HZ2 LYS 83 HZ1 LYS 83 -10.452 -38.667 1.202 641 HZ3 LYS 83 HZ2 LYS 83 -11.845 -38.703 2.049 642 H ALA 84 H ALA 84 -12.659 -44.036 -5.723 643 HA ALA 84 HA ALA 84 -12.090 -42.778 -7.980 644 HB1 ALA 84 HB3 ALA 84 -13.215 -44.947 -7.751 645 HB2 ALA 84 HB1 ALA 84 -14.739 -44.127 -7.344 646 HB3 ALA 84 HB2 ALA 84 -14.029 -43.937 -8.959 647 H ARG 85 H ARG 85 -13.260 -41.681 -9.621 648 HA ARG 85 HA ARG 85 -14.713 -39.232 -8.688 649 HB2 ARG 85 HB2 ARG 85 -12.155 -39.574 -10.207 650 HB3 ARG 85 HB3 ARG 85 -13.314 -38.553 -11.016 651 HG2 ARG 85 HG2 ARG 85 -11.922 -37.134 -9.810 652 HG3 ARG 85 HG3 ARG 85 -13.479 -37.097 -9.004 653 HD2 ARG 85 HD2 ARG 85 -11.095 -38.771 -8.069 654 HD3 ARG 85 HD3 ARG 85 -11.372 -37.119 -7.533 655 HE ARG 85 HE ARG 85 -12.655 -39.495 -6.532 656 HH11 ARG 85 HH11 ARG 85 -13.251 -36.063 -6.872 657 HH12 ARG 85 HH12 ARG 85 -14.648 -36.119 -5.833 658 HH21 ARG 85 HH21 ARG 85 -14.523 -39.543 -5.528 659 HH22 ARG 85 HH22 ARG 85 -15.313 -38.085 -4.969 660 H VAL 86 H VAL 86 -15.763 -38.108 -10.543 661 HA VAL 86 HA VAL 86 -16.728 -39.699 -12.771 662 HB VAL 86 HB VAL 86 -18.244 -40.324 -10.890 663 HG11 VAL 86 HG11 VAL 86 -19.121 -37.411 -10.901 664 HG12 VAL 86 HG12 VAL 86 -19.873 -38.739 -10.001 665 HG13 VAL 86 HG13 VAL 86 -18.228 -38.221 -9.595 666 HG21 VAL 86 HG23 VAL 86 -19.744 -38.711 -12.981 667 HG22 VAL 86 HG21 VAL 86 -19.035 -40.317 -13.260 668 HG23 VAL 86 HG22 VAL 86 -20.312 -40.102 -12.053 669 H LEU 87 H LEU 87 -18.094 -38.233 -14.188 670 HA LEU 87 HA LEU 87 -17.882 -35.381 -13.971 671 HB2 LEU 87 HB2 LEU 87 -16.513 -34.979 -15.836 672 HB3 LEU 87 HB3 LEU 87 -15.574 -36.064 -14.818 673 HG LEU 87 HG LEU 87 -17.087 -36.816 -17.377 674 HD11 LEU 87 HD11 LEU 87 -14.112 -36.543 -16.805 675 HD12 LEU 87 HD12 LEU 87 -14.857 -37.035 -18.346 676 HD13 LEU 87 HD13 LEU 87 -15.111 -35.397 -17.731 677 HD21 LEU 87 HD23 LEU 87 -15.274 -38.492 -15.587 678 HD22 LEU 87 HD21 LEU 87 -16.985 -38.793 -15.996 679 HD23 LEU 87 HD22 LEU 87 -15.756 -38.942 -17.246 Start of MODEL 25 1 H1 MET 1 H1 MET 1 3.008 3.976 -0.538 2 H2 MET 1 H2 MET 1 2.016 3.089 -1.487 3 H3 MET 1 H3 MET 1 2.789 4.406 -2.122 4 HA MET 1 HA MET 1 3.844 2.283 -2.799 5 HB2 MET 1 HB2 MET 1 5.492 4.078 -0.957 6 HB3 MET 1 HB3 MET 1 6.160 2.869 -2.065 7 HG2 MET 1 HG2 MET 1 5.156 4.040 -3.984 8 HG3 MET 1 HG3 MET 1 4.492 5.278 -2.913 9 HE1 MET 1 HE3 MET 1 5.833 7.257 -1.864 10 HE2 MET 1 HE1 MET 1 6.753 6.091 -0.874 11 HE3 MET 1 HE2 MET 1 7.605 7.330 -1.814 12 H SER 2 H SER 2 4.444 0.187 -2.125 13 HA SER 2 HA SER 2 4.915 -0.559 0.625 14 HB2 SER 2 HB2 SER 2 2.462 -0.122 0.741 15 HB3 SER 2 HB3 SER 2 2.199 -1.145 -0.681 16 HG SER 2 HG SER 2 2.646 -2.931 0.503 17 HA PRO 3 HA PRO 3 5.874 -4.308 -1.912 18 HB2 PRO 3 HB2 PRO 3 5.985 -6.218 0.029 19 HB3 PRO 3 HB3 PRO 3 7.284 -5.019 -0.189 20 HG2 PRO 3 HG2 PRO 3 4.969 -4.923 1.776 21 HG3 PRO 3 HG3 PRO 3 6.715 -4.685 2.115 22 HD2 PRO 3 HD2 PRO 3 5.042 -2.583 1.735 23 HD3 PRO 3 HD3 PRO 3 6.711 -2.549 1.103 24 H THR 4 H THR 4 4.669 -6.615 -1.932 25 HA THR 4 HA THR 4 1.741 -6.244 -1.449 26 HB THR 4 HB THR 4 2.719 -7.538 -4.001 27 HG1 THR 4 HG1 THR 4 3.349 -5.311 -3.733 28 HG21 THR 4 HG23 THR 4 0.337 -7.927 -3.309 29 HG22 THR 4 HG21 THR 4 0.096 -6.170 -3.211 30 HG23 THR 4 HG22 THR 4 0.449 -6.937 -4.775 31 H SER 5 H SER 5 3.424 -7.343 0.213 32 HA SER 5 HA SER 5 3.923 -10.055 0.327 33 HB2 SER 5 HB2 SER 5 3.215 -8.305 2.706 34 HB3 SER 5 HB3 SER 5 4.402 -9.620 2.617 35 HG SER 5 HG SER 5 5.510 -8.270 1.033 36 H ILE 6 H ILE 6 2.998 -11.100 2.626 37 HA ILE 6 HA ILE 6 0.037 -11.061 2.561 38 HB ILE 6 HB ILE 6 -0.358 -13.151 1.960 39 HG12 ILE 6 HG12 ILE 6 0.849 -15.171 2.434 40 HG13 ILE 6 HG13 ILE 6 2.083 -14.317 3.337 41 HG21 ILE 6 HG21 ILE 6 2.572 -13.265 1.174 42 HG22 ILE 6 HG22 ILE 6 1.264 -14.257 0.470 43 HG23 ILE 6 HG23 ILE 6 1.281 -12.515 0.205 44 HD11 ILE 6 HD13 ILE 6 0.693 -14.143 5.224 45 HD12 ILE 6 HD11 ILE 6 -0.830 -14.301 4.265 46 HD13 ILE 6 HD12 ILE 6 0.217 -15.675 4.603 47 H LEU 7 H LEU 7 2.888 -11.385 4.402 48 HA LEU 7 HA LEU 7 1.976 -12.642 6.622 49 HB2 LEU 7 HB2 LEU 7 3.951 -11.711 7.808 50 HB3 LEU 7 HB3 LEU 7 4.303 -12.240 6.176 51 HG LEU 7 HG LEU 7 4.301 -9.876 5.384 52 HD11 LEU 7 HD11 LEU 7 4.013 -9.234 8.354 53 HD12 LEU 7 HD12 LEU 7 4.560 -8.081 7.114 54 HD13 LEU 7 HD13 LEU 7 2.930 -8.720 7.029 55 HD21 LEU 7 HD23 LEU 7 6.164 -10.504 7.716 56 HD22 LEU 7 HD21 LEU 7 6.377 -11.015 6.025 57 HD23 LEU 7 HD22 LEU 7 6.456 -9.298 6.435 58 H ASP 8 H ASP 8 0.453 -9.932 5.900 59 HA ASP 8 HA ASP 8 -0.512 -9.352 8.658 60 HB2 ASP 8 HB2 ASP 8 -1.494 -7.379 7.642 61 HB3 ASP 8 HB3 ASP 8 0.235 -7.424 7.295 62 H ILE 9 H ILE 9 -1.459 -10.495 5.382 63 HA ILE 9 HA ILE 9 -4.276 -10.419 6.052 64 HB ILE 9 HB ILE 9 -4.804 -11.150 3.880 65 HG12 ILE 9 HG12 ILE 9 -1.957 -11.744 3.092 66 HG13 ILE 9 HG13 ILE 9 -2.866 -12.990 3.914 67 HG21 ILE 9 HG21 ILE 9 -2.312 -9.477 3.455 68 HG22 ILE 9 HG22 ILE 9 -3.737 -9.582 2.416 69 HG23 ILE 9 HG23 ILE 9 -3.860 -8.828 4.019 70 HD11 ILE 9 HD13 ILE 9 -4.667 -12.848 2.236 71 HD12 ILE 9 HD11 ILE 9 -3.725 -11.641 1.333 72 HD13 ILE 9 HD12 ILE 9 -3.104 -13.298 1.519 73 H ARG 10 H ARG 10 -2.090 -12.542 6.612 74 HA ARG 10 HA ARG 10 -3.007 -15.123 5.919 75 HB2 ARG 10 HB2 ARG 10 -1.662 -15.993 7.890 76 HB3 ARG 10 HB3 ARG 10 -0.798 -14.976 6.751 77 HG2 ARG 10 HG2 ARG 10 -0.941 -13.047 8.207 78 HG3 ARG 10 HG3 ARG 10 -1.941 -13.927 9.375 79 HD2 ARG 10 HD2 ARG 10 -0.165 -15.333 10.031 80 HD3 ARG 10 HD3 ARG 10 0.787 -14.932 8.578 81 HE ARG 10 HE ARG 10 1.261 -12.764 9.379 82 HH11 ARG 10 HH11 ARG 10 -0.392 -14.471 11.972 83 HH12 ARG 10 HH12 ARG 10 -0.290 -13.075 13.007 84 HH21 ARG 10 HH21 ARG 10 1.270 -11.134 10.607 85 HH22 ARG 10 HH22 ARG 10 0.633 -11.160 12.234 86 H GLN 11 H GLN 11 -4.134 -13.241 8.567 87 HA GLN 11 HA GLN 11 -5.459 -13.569 10.405 88 HB2 GLN 11 HB2 GLN 11 -6.741 -16.001 9.135 89 HB3 GLN 11 HB3 GLN 11 -7.415 -14.823 10.260 90 HG2 GLN 11 HG2 GLN 11 -7.064 -13.098 8.367 91 HG3 GLN 11 HG3 GLN 11 -6.778 -14.479 7.316 92 HE21 GLN 11 HE22 GLN 11 -8.597 -14.696 6.039 93 HE22 GLN 11 HE21 GLN 11 -10.240 -14.699 6.725 94 H GLY 12 H GLY 12 -4.318 -16.690 9.229 95 HA2 GLY 12 HA2 GLY 12 -2.702 -18.008 10.673 96 HA3 GLY 12 HA3 GLY 12 -3.903 -17.780 11.990 97 HA PRO 13 HA PRO 13 -6.269 -19.872 8.371 98 HB2 PRO 13 HB2 PRO 13 -5.045 -20.540 6.045 99 HB3 PRO 13 HB3 PRO 13 -5.265 -18.832 6.523 100 HG2 PRO 13 HG2 PRO 13 -2.815 -20.571 6.966 101 HG3 PRO 13 HG3 PRO 13 -2.887 -18.937 6.205 102 HD2 PRO 13 HD2 PRO 13 -2.316 -19.487 8.841 103 HD3 PRO 13 HD3 PRO 13 -3.009 -17.941 8.268 104 H LYS 14 H LYS 14 -4.941 -21.371 10.429 105 HA LYS 14 HA LYS 14 -3.996 -23.949 9.703 106 HB2 LYS 14 HB2 LYS 14 -5.088 -24.660 11.972 107 HB3 LYS 14 HB3 LYS 14 -3.700 -23.576 11.950 108 HG2 LYS 14 HG2 LYS 14 -4.940 -21.697 12.532 109 HG3 LYS 14 HG3 LYS 14 -6.448 -22.361 11.930 110 HD2 LYS 14 HD2 LYS 14 -6.501 -23.964 13.858 111 HD3 LYS 14 HD3 LYS 14 -4.994 -23.238 14.452 112 HE2 LYS 14 HE2 LYS 14 -6.793 -22.203 15.665 113 HE3 LYS 14 HE3 LYS 14 -6.158 -21.003 14.525 114 HZ1 LYS 14 HZ3 LYS 14 -8.067 -21.710 13.012 115 HZ2 LYS 14 HZ1 LYS 14 -8.631 -22.631 14.139 116 HZ3 LYS 14 HZ2 LYS 14 -8.582 -21.003 14.415 117 H GLU 15 H GLU 15 -7.526 -23.171 10.196 118 HA GLU 15 HA GLU 15 -8.162 -25.756 8.987 119 HB2 GLU 15 HB2 GLU 15 -10.134 -23.500 9.502 120 HB3 GLU 15 HB3 GLU 15 -10.458 -25.172 9.117 121 HG2 GLU 15 HG2 GLU 15 -10.825 -25.142 11.368 122 HG3 GLU 15 HG3 GLU 15 -9.176 -25.766 11.286 123 HA PRO 16 HA PRO 16 -9.599 -23.282 5.203 124 HB2 PRO 16 HB2 PRO 16 -8.826 -20.668 4.727 125 HB3 PRO 16 HB3 PRO 16 -10.257 -21.145 5.681 126 HG2 PRO 16 HG2 PRO 16 -7.478 -20.453 6.620 127 HG3 PRO 16 HG3 PRO 16 -9.028 -19.780 7.215 128 HD2 PRO 16 HD2 PRO 16 -7.810 -21.780 8.543 129 HD3 PRO 16 HD3 PRO 16 -9.578 -21.778 8.334 130 H PHE 17 H PHE 17 -7.210 -24.767 5.626 131 HA PHE 17 HA PHE 17 -4.816 -23.840 4.691 132 HB2 PHE 17 HB2 PHE 17 -5.919 -26.376 5.301 133 HB3 PHE 17 HB3 PHE 17 -5.271 -26.571 3.712 134 HD1 PHE 17 HD1 PHE 17 -4.231 -24.871 6.912 135 HD2 PHE 17 HD2 PHE 17 -3.104 -27.519 3.694 136 HE1 PHE 17 HE1 PHE 17 -2.007 -25.208 7.955 137 HE2 PHE 17 HE2 PHE 17 -0.889 -27.874 4.762 138 HZ PHE 17 HZ PHE 17 -0.373 -26.749 6.929 139 H ARG 18 H ARG 18 -7.273 -25.346 2.581 140 HA ARG 18 HA ARG 18 -5.840 -24.852 0.103 141 HB2 ARG 18 HB2 ARG 18 -7.910 -25.620 -0.984 142 HB3 ARG 18 HB3 ARG 18 -7.278 -26.698 0.242 143 HG2 ARG 18 HG2 ARG 18 -9.471 -26.936 0.677 144 HG3 ARG 18 HG3 ARG 18 -9.035 -25.704 1.846 145 HD2 ARG 18 HD2 ARG 18 -10.988 -24.911 0.998 146 HD3 ARG 18 HD3 ARG 18 -9.820 -24.000 0.033 147 HE ARG 18 HE ARG 18 -10.458 -26.295 -1.457 148 HH11 ARG 18 HH11 ARG 18 -12.243 -23.553 -0.120 149 HH12 ARG 18 HH12 ARG 18 -13.549 -23.739 -1.243 150 HH21 ARG 18 HH21 ARG 18 -12.113 -26.426 -2.924 151 HH22 ARG 18 HH22 ARG 18 -13.424 -25.273 -2.878 152 H ASP 19 H ASP 19 -8.505 -23.298 1.706 153 HA ASP 19 HA ASP 19 -9.171 -21.340 -0.233 154 HB2 ASP 19 HB2 ASP 19 -9.490 -20.901 2.739 155 HB3 ASP 19 HB3 ASP 19 -10.524 -20.341 1.437 156 H TYR 20 H TYR 20 -6.634 -21.511 1.936 157 HA TYR 20 HA TYR 20 -5.710 -18.717 1.342 158 HB2 TYR 20 HB2 TYR 20 -5.774 -20.192 3.855 159 HB3 TYR 20 HB3 TYR 20 -4.185 -19.545 3.504 160 HD1 TYR 20 HD1 TYR 20 -7.785 -18.631 3.758 161 HD2 TYR 20 HD2 TYR 20 -3.727 -17.185 3.642 162 HE1 TYR 20 HE1 TYR 20 -8.575 -16.356 4.382 163 HE2 TYR 20 HE2 TYR 20 -4.517 -14.921 4.279 164 HH TYR 20 HH TYR 20 -6.266 -13.694 5.034 165 H VAL 21 H VAL 21 -4.473 -22.124 1.257 166 HA VAL 21 HA VAL 21 -1.754 -21.355 0.861 167 HB VAL 21 HB VAL 21 -2.533 -23.685 1.427 168 HG11 VAL 21 HG11 VAL 21 -2.779 -24.348 -1.468 169 HG12 VAL 21 HG12 VAL 21 -3.232 -25.249 0.018 170 HG13 VAL 21 HG13 VAL 21 -4.181 -23.852 -0.512 171 HG21 VAL 21 HG23 VAL 21 -0.601 -23.609 -0.857 172 HG22 VAL 21 HG21 VAL 21 -0.233 -23.133 0.822 173 HG23 VAL 21 HG22 VAL 21 -0.774 -24.789 0.471 174 H ASP 22 H ASP 22 -4.305 -22.034 -1.535 175 HA ASP 22 HA ASP 22 -2.754 -21.708 -3.838 176 HB2 ASP 22 HB2 ASP 22 -5.615 -21.330 -2.976 177 HB3 ASP 22 HB3 ASP 22 -5.148 -20.961 -4.598 178 H ARG 23 H ARG 23 -4.558 -19.380 -2.027 179 HA ARG 23 HA ARG 23 -3.829 -17.003 -3.486 180 HB2 ARG 23 HB2 ARG 23 -4.602 -16.500 -0.692 181 HB3 ARG 23 HB3 ARG 23 -5.355 -15.963 -2.187 182 HG2 ARG 23 HG2 ARG 23 -5.772 -18.635 -0.829 183 HG3 ARG 23 HG3 ARG 23 -6.832 -17.240 -0.679 184 HD2 ARG 23 HD2 ARG 23 -6.212 -18.376 -3.410 185 HD3 ARG 23 HD3 ARG 23 -7.352 -19.204 -2.337 186 HE ARG 23 HE ARG 23 -8.321 -16.715 -2.226 187 HH11 ARG 23 HH11 ARG 23 -7.415 -18.615 -5.010 188 HH12 ARG 23 HH12 ARG 23 -8.569 -17.864 -6.074 189 HH21 ARG 23 HH21 ARG 23 -9.875 -15.800 -3.636 190 HH22 ARG 23 HH22 ARG 23 -9.891 -16.261 -5.309 191 H PHE 24 H PHE 24 -2.394 -18.566 -0.684 192 HA PHE 24 HA PHE 24 -0.690 -16.421 0.160 193 HB2 PHE 24 HB2 PHE 24 -1.176 -18.326 1.595 194 HB3 PHE 24 HB3 PHE 24 -0.450 -19.448 0.456 195 HD1 PHE 24 HD2 PHE 24 2.056 -19.412 0.103 196 HD2 PHE 24 HD1 PHE 24 0.150 -17.259 3.255 197 HE1 PHE 24 HE2 PHE 24 4.269 -18.995 1.094 198 HE2 PHE 24 HE1 PHE 24 2.391 -16.789 4.267 199 HZ PHE 24 HZ PHE 24 4.469 -17.550 3.110 200 H TYR 25 H TYR 25 0.246 -19.398 -1.658 201 HA TYR 25 HA TYR 25 2.801 -18.222 -2.249 202 HB2 TYR 25 HB2 TYR 25 1.478 -20.787 -3.067 203 HB3 TYR 25 HB3 TYR 25 2.968 -20.264 -3.830 204 HD1 TYR 25 HD2 TYR 25 5.076 -19.882 -2.457 205 HD2 TYR 25 HD1 TYR 25 1.581 -21.840 -0.796 206 HE1 TYR 25 HE2 TYR 25 6.503 -21.078 -0.767 207 HE2 TYR 25 HE1 TYR 25 3.000 -22.910 0.865 208 HH TYR 25 HH TYR 25 5.176 -23.458 1.492 209 H LYS 26 H LYS 26 -0.229 -18.007 -3.990 210 HA LYS 26 HA LYS 26 0.523 -17.129 -6.503 211 HB2 LYS 26 HB2 LYS 26 -1.745 -17.312 -5.875 212 HB3 LYS 26 HB3 LYS 26 -1.612 -16.128 -4.597 213 HG2 LYS 26 HG2 LYS 26 -1.198 -15.371 -7.489 214 HG3 LYS 26 HG3 LYS 26 -2.813 -15.527 -6.818 215 HD2 LYS 26 HD2 LYS 26 -0.752 -13.597 -5.668 216 HD3 LYS 26 HD3 LYS 26 -1.864 -13.205 -6.953 217 HE2 LYS 26 HE2 LYS 26 -3.044 -12.370 -5.248 218 HE3 LYS 26 HE3 LYS 26 -3.733 -13.994 -5.265 219 HZ1 LYS 26 HZ3 LYS 26 -2.269 -14.545 -3.375 220 HZ2 LYS 26 HZ1 LYS 26 -1.499 -13.123 -3.470 221 HZ3 LYS 26 HZ2 LYS 26 -3.063 -13.160 -3.008 222 H THR 27 H THR 27 0.730 -15.043 -3.549 223 HA THR 27 HA THR 27 2.182 -12.983 -5.160 224 HB THR 27 HB THR 27 1.889 -11.867 -2.664 225 HG1 THR 27 HG1 THR 27 0.120 -12.343 -1.790 226 HG21 THR 27 HG23 THR 27 1.401 -10.731 -4.755 227 HG22 THR 27 HG21 THR 27 -0.100 -11.660 -4.948 228 HG23 THR 27 HG22 THR 27 0.089 -10.513 -3.597 229 H LEU 28 H LEU 28 2.387 -14.784 -2.034 230 HA LEU 28 HA LEU 28 4.783 -13.844 -1.088 231 HB2 LEU 28 HB2 LEU 28 3.444 -15.473 0.094 232 HB3 LEU 28 HB3 LEU 28 3.815 -16.708 -1.099 233 HG LEU 28 HG LEU 28 5.012 -16.700 1.090 234 HD11 LEU 28 HD11 LEU 28 7.041 -16.791 -1.127 235 HD12 LEU 28 HD12 LEU 28 6.897 -17.781 0.321 236 HD13 LEU 28 HD13 LEU 28 5.730 -17.967 -1.006 237 HD21 LEU 28 HD23 LEU 28 6.733 -14.468 0.087 238 HD22 LEU 28 HD21 LEU 28 5.440 -14.334 1.289 239 HD23 LEU 28 HD22 LEU 28 6.805 -15.370 1.610 240 H ARG 29 H ARG 29 4.524 -16.297 -3.684 241 HA ARG 29 HA ARG 29 7.248 -16.981 -3.919 242 HB2 ARG 29 HB2 ARG 29 6.725 -17.843 -6.093 243 HB3 ARG 29 HB3 ARG 29 5.386 -18.163 -4.984 244 HG2 ARG 29 HG2 ARG 29 4.283 -16.047 -5.869 245 HG3 ARG 29 HG3 ARG 29 5.571 -15.914 -7.062 246 HD2 ARG 29 HD2 ARG 29 4.991 -18.015 -8.079 247 HD3 ARG 29 HD3 ARG 29 3.768 -18.353 -6.836 248 HE ARG 29 HE ARG 29 2.813 -16.035 -7.681 249 HH11 ARG 29 HH11 ARG 29 3.962 -18.667 -9.666 250 HH12 ARG 29 HH12 ARG 29 2.986 -18.211 -11.037 251 HH21 ARG 29 HH21 ARG 29 1.662 -15.445 -9.451 252 HH22 ARG 29 HH22 ARG 29 1.700 -16.399 -10.914 253 H ALA 30 H ALA 30 5.953 -13.892 -4.648 254 HA ALA 30 HA ALA 30 8.138 -13.192 -6.537 255 HB1 ALA 30 HB3 ALA 30 5.781 -12.677 -7.173 256 HB2 ALA 30 HB1 ALA 30 5.633 -11.664 -5.712 257 HB3 ALA 30 HB2 ALA 30 6.776 -11.217 -6.991 258 H GLU 31 H GLU 31 7.624 -13.170 -3.193 259 HA GLU 31 HA GLU 31 9.573 -10.914 -2.870 260 HB2 GLU 31 HB2 GLU 31 7.310 -11.592 -0.957 261 HB3 GLU 31 HB3 GLU 31 8.549 -10.337 -0.761 262 HG2 GLU 31 HG2 GLU 31 7.715 -9.382 -3.007 263 HG3 GLU 31 HG3 GLU 31 6.320 -10.453 -2.828 264 H GLN 32 H GLN 32 8.405 -13.967 -1.244 265 HA GLN 32 HA GLN 32 11.175 -14.248 -0.181 266 HB2 GLN 32 HB2 GLN 32 8.656 -15.848 0.301 267 HB3 GLN 32 HB3 GLN 32 10.222 -16.377 0.864 268 HG2 GLN 32 HG2 GLN 32 9.005 -13.713 1.707 269 HG3 GLN 32 HG3 GLN 32 8.765 -15.227 2.567 270 HE21 GLN 32 HE22 GLN 32 12.023 -15.099 1.271 271 HE22 GLN 32 HE21 GLN 32 12.713 -14.622 2.825 272 H ALA 33 H ALA 33 9.141 -15.562 -2.643 273 HA ALA 33 HA ALA 33 9.311 -17.128 -4.255 274 HB1 ALA 33 HB3 ALA 33 10.855 -15.318 -4.899 275 HB2 ALA 33 HB1 ALA 33 12.206 -16.249 -4.215 276 HB3 ALA 33 HB2 ALA 33 11.293 -16.885 -5.599 277 H SER 34 H SER 34 11.425 -18.087 -1.661 278 HA SER 34 HA SER 34 12.942 -19.962 -2.570 279 HB2 SER 34 HB2 SER 34 12.414 -19.179 -0.142 280 HB3 SER 34 HB3 SER 34 11.511 -20.701 -0.038 281 HG SER 34 HG SER 34 14.265 -20.295 -0.637 282 H GLN 35 H GLN 35 9.512 -20.967 -2.438 283 HA GLN 35 HA GLN 35 8.567 -23.079 -2.346 284 HB2 GLN 35 HB2 GLN 35 8.580 -22.218 -4.622 285 HB3 GLN 35 HB3 GLN 35 10.158 -22.898 -4.923 286 HG2 GLN 35 HG2 GLN 35 9.279 -25.127 -5.095 287 HG3 GLN 35 HG3 GLN 35 7.815 -24.714 -4.209 288 HE21 GLN 35 HE22 GLN 35 9.474 -23.542 -7.187 289 HE22 GLN 35 HE21 GLN 35 8.008 -23.655 -8.176 290 H GLU 36 H GLU 36 10.880 -23.183 -0.755 291 HA GLU 36 HA GLU 36 12.295 -25.643 -0.804 292 HB2 GLU 36 HB2 GLU 36 12.787 -23.806 0.721 293 HB3 GLU 36 HB3 GLU 36 11.165 -23.895 1.420 294 HG2 GLU 36 HG2 GLU 36 11.658 -26.238 2.115 295 HG3 GLU 36 HG3 GLU 36 13.313 -26.033 1.532 296 H VAL 37 H VAL 37 11.489 -27.798 -0.652 297 HA VAL 37 HA VAL 37 8.761 -28.423 -0.521 298 HB VAL 37 HB VAL 37 11.207 -30.061 0.195 299 HG11 VAL 37 HG11 VAL 37 8.310 -31.020 0.028 300 HG12 VAL 37 HG12 VAL 37 9.721 -32.105 -0.039 301 HG13 VAL 37 HG13 VAL 37 9.389 -31.169 1.419 302 HG21 VAL 37 HG23 VAL 37 9.319 -30.091 -2.196 303 HG22 VAL 37 HG21 VAL 37 10.937 -29.359 -2.170 304 HG23 VAL 37 HG22 VAL 37 10.759 -31.112 -1.987 305 H LYS 38 H LYS 38 10.986 -28.248 2.265 306 HA LYS 38 HA LYS 38 8.807 -28.997 4.138 307 HB2 LYS 38 HB2 LYS 38 10.500 -28.957 5.867 308 HB3 LYS 38 HB3 LYS 38 11.055 -29.937 4.519 309 HG2 LYS 38 HG2 LYS 38 12.817 -28.593 4.062 310 HG3 LYS 38 HG3 LYS 38 11.901 -27.122 4.297 311 HD2 LYS 38 HD2 LYS 38 12.850 -28.769 6.646 312 HD3 LYS 38 HD3 LYS 38 13.878 -27.565 5.874 313 HE2 LYS 38 HE2 LYS 38 11.122 -26.883 7.001 314 HE3 LYS 38 HE3 LYS 38 12.610 -26.809 7.951 315 HZ1 LYS 38 HZ3 LYS 38 13.426 -25.283 6.018 316 HZ2 LYS 38 HZ1 LYS 38 11.922 -25.146 5.602 317 HZ3 LYS 38 HZ2 LYS 38 12.323 -24.631 7.099 318 H ASN 39 H ASN 39 9.496 -26.275 2.618 319 HA ASN 39 HA ASN 39 9.605 -24.033 2.954 320 HB2 ASN 39 HB2 ASN 39 7.525 -23.336 2.594 321 HB3 ASN 39 HB3 ASN 39 7.616 -24.974 1.957 322 HD21 ASN 39 HD22 ASN 39 5.596 -23.056 3.246 323 HD22 ASN 39 HD21 ASN 39 4.508 -24.246 3.935 324 H ALA 40 H ALA 40 8.902 -25.224 6.187 325 HA ALA 40 HA ALA 40 8.389 -22.831 7.526 326 HB1 ALA 40 HB3 ALA 40 8.168 -25.088 8.487 327 HB2 ALA 40 HB1 ALA 40 9.928 -25.287 8.475 328 HB3 ALA 40 HB2 ALA 40 9.177 -24.054 9.508 329 H MET 41 H MET 41 9.650 -21.292 6.397 330 HA MET 41 HA MET 41 12.114 -20.470 7.777 331 HB2 MET 41 HB2 MET 41 13.442 -20.300 5.725 332 HB3 MET 41 HB3 MET 41 12.990 -21.974 6.007 333 HG2 MET 41 HG2 MET 41 11.804 -22.104 4.080 334 HG3 MET 41 HG3 MET 41 11.005 -20.591 4.338 335 HE1 MET 41 HE3 MET 41 14.802 -21.643 3.847 336 HE2 MET 41 HE1 MET 41 13.880 -22.490 2.585 337 HE3 MET 41 HE2 MET 41 15.018 -21.204 2.137 338 H THR 42 H THR 42 9.204 -19.550 6.866 339 HA THR 42 HA THR 42 9.720 -16.762 6.096 340 HB THR 42 HB THR 42 8.063 -16.988 4.153 341 HG1 THR 42 HG1 THR 42 8.753 -19.703 4.317 342 HG21 THR 42 HG23 THR 42 10.557 -16.865 3.766 343 HG22 THR 42 HG21 THR 42 10.602 -18.617 3.719 344 HG23 THR 42 HG22 THR 42 9.644 -17.752 2.516 345 H GLU 43 H GLU 43 7.201 -15.868 5.656 346 HA GLU 43 HA GLU 43 5.711 -16.338 8.102 347 HB2 GLU 43 HB2 GLU 43 3.987 -14.971 7.095 348 HB3 GLU 43 HB3 GLU 43 5.567 -14.217 6.847 349 HG2 GLU 43 HG2 GLU 43 4.444 -15.974 4.675 350 HG3 GLU 43 HG3 GLU 43 3.668 -14.412 4.963 351 H THR 44 H THR 44 5.992 -18.212 5.439 352 HA THR 44 HA THR 44 3.483 -19.154 4.741 353 HB THR 44 HB THR 44 5.702 -19.582 3.640 354 HG1 THR 44 HG1 THR 44 4.836 -21.151 2.545 355 HG21 THR 44 HG23 THR 44 6.785 -20.722 5.626 356 HG22 THR 44 HG21 THR 44 5.712 -22.095 5.374 357 HG23 THR 44 HG22 THR 44 6.864 -21.618 4.098 358 H LEU 45 H LEU 45 1.995 -20.297 5.391 359 HA LEU 45 HA LEU 45 2.211 -22.041 7.760 360 HB2 LEU 45 HB2 LEU 45 -0.399 -20.762 7.034 361 HB3 LEU 45 HB3 LEU 45 0.335 -21.054 8.597 362 HG LEU 45 HG LEU 45 2.029 -19.187 7.749 363 HD11 LEU 45 HD11 LEU 45 -0.591 -18.362 6.359 364 HD12 LEU 45 HD12 LEU 45 0.914 -17.418 6.437 365 HD13 LEU 45 HD13 LEU 45 0.846 -18.897 5.489 366 HD21 LEU 45 HD23 LEU 45 -0.599 -18.289 8.775 367 HD22 LEU 45 HD21 LEU 45 0.723 -19.028 9.737 368 HD23 LEU 45 HD22 LEU 45 1.001 -17.510 8.863 369 H LEU 46 H LEU 46 2.149 -22.808 4.759 370 HA LEU 46 HA LEU 46 0.660 -25.216 4.700 371 HB2 LEU 46 HB2 LEU 46 -0.976 -24.406 2.897 372 HB3 LEU 46 HB3 LEU 46 -1.355 -24.271 4.566 373 HG LEU 46 HG LEU 46 -1.791 -22.350 2.759 374 HD11 LEU 46 HD11 LEU 46 -1.604 -22.031 5.685 375 HD12 LEU 46 HD12 LEU 46 -2.297 -20.826 4.571 376 HD13 LEU 46 HD13 LEU 46 -2.994 -22.445 4.695 377 HD21 LEU 46 HD23 LEU 46 0.423 -20.996 4.198 378 HD22 LEU 46 HD21 LEU 46 0.640 -21.689 2.576 379 HD23 LEU 46 HD22 LEU 46 -0.575 -20.435 2.868 380 H VAL 47 H VAL 47 0.582 -25.797 1.895 381 HA VAL 47 HA VAL 47 3.355 -25.167 1.014 382 HB VAL 47 HB VAL 47 2.032 -27.822 1.560 383 HG11 VAL 47 HG11 VAL 47 4.370 -27.402 -0.345 384 HG12 VAL 47 HG12 VAL 47 4.079 -28.908 0.537 385 HG13 VAL 47 HG13 VAL 47 2.861 -28.336 -0.590 386 HG21 VAL 47 HG23 VAL 47 4.764 -26.606 2.168 387 HG22 VAL 47 HG21 VAL 47 3.369 -26.778 3.265 388 HG23 VAL 47 HG22 VAL 47 4.206 -28.208 2.684 389 H GLN 48 H GLN 48 3.734 -24.981 -1.031 390 HA GLN 48 HA GLN 48 1.846 -24.635 -3.100 391 HB2 GLN 48 HB2 GLN 48 4.801 -25.377 -3.199 392 HB3 GLN 48 HB3 GLN 48 3.835 -25.064 -4.656 393 HG2 GLN 48 HG2 GLN 48 3.164 -22.856 -3.760 394 HG3 GLN 48 HG3 GLN 48 4.128 -23.194 -2.316 395 HE21 GLN 48 HE22 GLN 48 4.386 -22.268 -5.713 396 HE22 GLN 48 HE21 GLN 48 6.068 -21.813 -5.531 397 H ASN 49 H ASN 49 0.998 -25.869 -4.714 398 HA ASN 49 HA ASN 49 -0.277 -27.619 -5.364 399 HB2 ASN 49 HB2 ASN 49 1.887 -27.721 -6.527 400 HB3 ASN 49 HB3 ASN 49 2.501 -28.784 -5.289 401 HD21 ASN 49 HD22 ASN 49 2.092 -30.949 -5.557 402 HD22 ASN 49 HD21 ASN 49 1.181 -31.587 -6.935 403 H ALA 50 H ALA 50 -0.105 -27.442 -2.336 404 HA ALA 50 HA ALA 50 -0.163 -29.913 -1.169 405 HB1 ALA 50 HB3 ALA 50 -0.315 -28.081 0.250 406 HB2 ALA 50 HB1 ALA 50 -1.674 -27.355 -0.631 407 HB3 ALA 50 HB2 ALA 50 -1.922 -28.790 0.403 408 H ASN 51 H ASN 51 -1.576 -31.529 -0.698 409 HA ASN 51 HA ASN 51 -3.369 -32.100 -2.975 410 HB2 ASN 51 HB2 ASN 51 -2.532 -34.214 -2.977 411 HB3 ASN 51 HB3 ASN 51 -1.174 -33.500 -2.156 412 HD21 ASN 51 HD22 ASN 51 -3.014 -36.149 -2.071 413 HD22 ASN 51 HD21 ASN 51 -3.083 -36.412 -0.373 414 HA PRO 52 HA PRO 52 -7.006 -32.220 -0.633 415 HB2 PRO 52 HB2 PRO 52 -8.251 -34.676 -0.926 416 HB3 PRO 52 HB3 PRO 52 -8.218 -33.389 -2.165 417 HG2 PRO 52 HG2 PRO 52 -6.406 -35.805 -1.945 418 HG3 PRO 52 HG3 PRO 52 -7.223 -35.156 -3.403 419 HD2 PRO 52 HD2 PRO 52 -4.641 -34.626 -2.900 420 HD3 PRO 52 HD3 PRO 52 -5.700 -33.350 -3.569 421 H ASP 53 H ASP 53 -5.036 -35.139 0.044 422 HA ASP 53 HA ASP 53 -6.212 -35.667 2.548 423 HB2 ASP 53 HB2 ASP 53 -3.466 -36.462 1.541 424 HB3 ASP 53 HB3 ASP 53 -4.365 -37.208 2.877 425 H CYS 54 H CYS 54 -2.999 -33.933 2.002 426 HA CYS 54 HA CYS 54 -2.564 -33.562 4.766 427 HB2 CYS 54 HB2 CYS 54 -1.190 -31.622 4.157 428 HB3 CYS 54 HB3 CYS 54 -0.795 -33.061 3.204 429 HG CYS 54 HG CYS 54 -0.454 -30.895 1.732 430 H LYS 55 H LYS 55 -3.872 -31.233 2.594 431 HA LYS 55 HA LYS 55 -5.130 -29.308 4.131 432 HB2 LYS 55 HB2 LYS 55 -5.983 -30.823 1.667 433 HB3 LYS 55 HB3 LYS 55 -6.989 -29.522 2.285 434 HG2 LYS 55 HG2 LYS 55 -5.419 -27.841 1.871 435 HG3 LYS 55 HG3 LYS 55 -4.045 -28.935 1.840 436 HD2 LYS 55 HD2 LYS 55 -4.372 -29.549 -0.380 437 HD3 LYS 55 HD3 LYS 55 -6.081 -29.028 -0.403 438 HE2 LYS 55 HE2 LYS 55 -5.277 -26.661 -0.120 439 HE3 LYS 55 HE3 LYS 55 -3.627 -27.237 -0.133 440 HZ1 LYS 55 HZ3 LYS 55 -3.949 -27.967 -2.432 441 HZ2 LYS 55 HZ1 LYS 55 -5.493 -27.405 -2.444 442 HZ3 LYS 55 HZ2 LYS 55 -4.274 -26.343 -2.297 443 H THR 56 H THR 56 -6.917 -32.399 3.323 444 HA THR 56 HA THR 56 -9.033 -31.685 5.110 445 HB THR 56 HB THR 56 -9.026 -33.273 3.040 446 HG1 THR 56 HG1 THR 56 -10.836 -34.328 4.051 447 HG21 THR 56 HG23 THR 56 -7.576 -35.052 4.140 448 HG22 THR 56 HG21 THR 56 -8.922 -35.365 5.248 449 HG23 THR 56 HG22 THR 56 -9.122 -35.612 3.495 450 H ILE 57 H ILE 57 -5.992 -33.079 5.741 451 HA ILE 57 HA ILE 57 -6.831 -34.312 8.320 452 HB ILE 57 HB ILE 57 -4.098 -33.953 7.070 453 HG12 ILE 57 HG12 ILE 57 -5.487 -36.574 7.758 454 HG13 ILE 57 HG13 ILE 57 -5.878 -35.748 6.259 455 HG21 ILE 57 HG21 ILE 57 -4.835 -35.266 9.726 456 HG22 ILE 57 HG22 ILE 57 -3.250 -35.401 8.938 457 HG23 ILE 57 HG23 ILE 57 -3.806 -33.837 9.511 458 HD11 ILE 57 HD13 ILE 57 -3.460 -35.691 5.658 459 HD12 ILE 57 HD11 ILE 57 -3.104 -36.682 7.087 460 HD13 ILE 57 HD12 ILE 57 -4.128 -37.331 5.786 461 H LEU 58 H LEU 58 -4.441 -31.601 7.588 462 HA LEU 58 HA LEU 58 -4.509 -30.737 10.270 463 HB2 LEU 58 HB2 LEU 58 -3.990 -29.058 7.744 464 HB3 LEU 58 HB3 LEU 58 -3.645 -28.578 9.405 465 HG LEU 58 HG LEU 58 -2.288 -30.846 9.464 466 HD11 LEU 58 HD11 LEU 58 -2.389 -30.257 6.534 467 HD12 LEU 58 HD12 LEU 58 -1.004 -31.140 7.286 468 HD13 LEU 58 HD13 LEU 58 -2.643 -31.789 7.404 469 HD21 LEU 58 HD23 LEU 58 -1.627 -28.087 8.498 470 HD22 LEU 58 HD21 LEU 58 -1.036 -28.970 9.920 471 HD23 LEU 58 HD22 LEU 58 -0.356 -29.295 8.307 472 H LYS 59 H LYS 59 -6.769 -30.105 7.712 473 HA LYS 59 HA LYS 59 -8.406 -28.109 8.708 474 HB2 LYS 59 HB2 LYS 59 -8.790 -30.669 7.306 475 HB3 LYS 59 HB3 LYS 59 -10.241 -30.067 8.048 476 HG2 LYS 59 HG2 LYS 59 -8.456 -28.330 6.291 477 HG3 LYS 59 HG3 LYS 59 -9.715 -29.353 5.645 478 HD2 LYS 59 HD2 LYS 59 -9.971 -27.045 7.614 479 HD3 LYS 59 HD3 LYS 59 -10.495 -27.015 5.928 480 HE2 LYS 59 HE2 LYS 59 -12.330 -28.571 6.490 481 HE3 LYS 59 HE3 LYS 59 -11.701 -28.730 8.143 482 HZ1 LYS 59 HZ3 LYS 59 -12.003 -26.347 8.424 483 HZ2 LYS 59 HZ1 LYS 59 -12.718 -26.218 6.950 484 HZ3 LYS 59 HZ2 LYS 59 -13.437 -27.098 8.147 485 H ALA 60 H ALA 60 -7.921 -31.143 10.270 486 HA ALA 60 HA ALA 60 -9.415 -30.160 12.664 487 HB1 ALA 60 HB3 ALA 60 -10.731 -31.917 11.514 488 HB2 ALA 60 HB1 ALA 60 -9.338 -33.023 11.620 489 HB3 ALA 60 HB2 ALA 60 -10.153 -32.467 13.099 490 H LEU 61 H LEU 61 -6.401 -30.689 11.556 491 HA LEU 61 HA LEU 61 -5.294 -31.503 14.169 492 HB2 LEU 61 HB2 LEU 61 -5.511 -33.040 11.805 493 HB3 LEU 61 HB3 LEU 61 -3.869 -32.591 11.840 494 HG LEU 61 HG LEU 61 -5.362 -33.865 14.191 495 HD11 LEU 61 HD11 LEU 61 -3.508 -35.214 12.191 496 HD12 LEU 61 HD12 LEU 61 -4.262 -35.966 13.608 497 HD13 LEU 61 HD13 LEU 61 -5.274 -35.400 12.272 498 HD21 LEU 61 HD23 LEU 61 -2.366 -33.541 13.719 499 HD22 LEU 61 HD21 LEU 61 -3.332 -32.635 14.896 500 HD23 LEU 61 HD22 LEU 61 -3.126 -34.383 15.085 501 H GLY 62 H GLY 62 -5.431 -28.858 13.085 502 HA2 GLY 62 HA2 GLY 62 -2.547 -28.119 12.706 503 HA3 GLY 62 HA3 GLY 62 -3.932 -27.144 12.225 504 HA PRO 63 HA PRO 63 -3.848 -26.589 16.975 505 HB2 PRO 63 HB2 PRO 63 -2.270 -28.016 18.651 506 HB3 PRO 63 HB3 PRO 63 -3.662 -28.785 17.843 507 HG2 PRO 63 HG2 PRO 63 -0.766 -28.791 16.890 508 HG3 PRO 63 HG3 PRO 63 -1.817 -30.214 17.199 509 HD2 PRO 63 HD2 PRO 63 -1.604 -29.120 14.704 510 HD3 PRO 63 HD3 PRO 63 -3.153 -29.766 15.338 511 H ALA 64 H ALA 64 -2.139 -25.386 15.025 512 HA ALA 64 HA ALA 64 -0.520 -23.804 14.747 513 HB1 ALA 64 HB3 ALA 64 -2.238 -22.765 16.188 514 HB2 ALA 64 HB1 ALA 64 -1.267 -23.177 17.623 515 HB3 ALA 64 HB2 ALA 64 -0.632 -22.045 16.416 516 H ALA 65 H ALA 65 0.585 -26.359 16.359 517 HA ALA 65 HA ALA 65 3.373 -25.255 16.254 518 HB1 ALA 65 HB3 ALA 65 2.690 -25.313 18.621 519 HB2 ALA 65 HB1 ALA 65 2.220 -27.020 18.474 520 HB3 ALA 65 HB2 ALA 65 3.926 -26.541 18.290 521 H THR 66 H THR 66 1.715 -28.500 16.729 522 HA THR 66 HA THR 66 3.528 -29.911 15.127 523 HB THR 66 HB THR 66 0.613 -30.644 14.985 524 HG1 THR 66 HG1 THR 66 1.975 -31.386 17.240 525 HG21 THR 66 HG23 THR 66 2.366 -32.169 14.053 526 HG22 THR 66 HG21 THR 66 3.154 -32.231 15.625 527 HG23 THR 66 HG22 THR 66 1.513 -32.903 15.414 528 H LEU 67 H LEU 67 1.385 -27.503 13.946 529 HA LEU 67 HA LEU 67 0.777 -28.505 11.327 530 HB2 LEU 67 HB2 LEU 67 -0.096 -26.546 12.451 531 HB3 LEU 67 HB3 LEU 67 1.414 -25.690 12.224 532 HG LEU 67 HG LEU 67 -0.797 -26.276 10.215 533 HD11 LEU 67 HD11 LEU 67 1.108 -23.956 10.730 534 HD12 LEU 67 HD12 LEU 67 -0.318 -23.925 9.659 535 HD13 LEU 67 HD13 LEU 67 -0.530 -24.095 11.417 536 HD21 LEU 67 HD23 LEU 67 2.067 -25.914 9.369 537 HD22 LEU 67 HD21 LEU 67 0.931 -27.264 9.012 538 HD23 LEU 67 HD22 LEU 67 0.667 -25.615 8.354 539 H GLU 68 H GLU 68 3.595 -26.684 12.559 540 HA GLU 68 HA GLU 68 5.048 -26.208 10.295 541 HB2 GLU 68 HB2 GLU 68 6.223 -27.283 12.909 542 HB3 GLU 68 HB3 GLU 68 7.095 -26.371 11.655 543 HG2 GLU 68 HG2 GLU 68 5.427 -24.506 12.021 544 HG3 GLU 68 HG3 GLU 68 4.799 -25.458 13.367 545 H GLU 69 H GLU 69 4.806 -29.417 11.763 546 HA GLU 69 HA GLU 69 6.563 -30.495 9.576 547 HB2 GLU 69 HB2 GLU 69 6.377 -32.633 10.499 548 HB3 GLU 69 HB3 GLU 69 6.703 -31.499 11.812 549 HG2 GLU 69 HG2 GLU 69 4.418 -31.595 12.567 550 HG3 GLU 69 HG3 GLU 69 3.927 -32.602 11.219 551 H MET 70 H MET 70 3.142 -30.397 10.444 552 HA MET 70 HA MET 70 2.181 -32.432 8.690 553 HB2 MET 70 HB2 MET 70 0.864 -30.071 9.883 554 HB3 MET 70 HB3 MET 70 0.011 -31.479 9.183 555 HG2 MET 70 HG2 MET 70 1.990 -31.786 11.345 556 HG3 MET 70 HG3 MET 70 0.396 -31.137 11.722 557 HE1 MET 70 HE3 MET 70 -1.722 -32.550 11.683 558 HE2 MET 70 HE1 MET 70 -1.569 -32.945 9.955 559 HE3 MET 70 HE2 MET 70 -1.866 -34.240 11.129 560 H MET 71 H MET 71 2.839 -29.137 8.270 561 HA MET 71 HA MET 71 1.553 -28.040 6.133 562 HB2 MET 71 HB2 MET 71 3.400 -27.150 7.673 563 HB3 MET 71 HB3 MET 71 4.576 -27.889 6.613 564 HG2 MET 71 HG2 MET 71 4.298 -26.246 4.986 565 HG3 MET 71 HG3 MET 71 2.604 -26.058 5.321 566 HE1 MET 71 HE3 MET 71 5.523 -25.874 8.036 567 HE2 MET 71 HE1 MET 71 6.272 -25.196 6.579 568 HE3 MET 71 HE2 MET 71 5.915 -24.142 7.965 569 H THR 72 H THR 72 4.420 -30.083 5.826 570 HA THR 72 HA THR 72 3.711 -30.889 3.045 571 HB THR 72 HB THR 72 6.278 -31.528 4.458 572 HG1 THR 72 HG1 THR 72 6.635 -29.286 3.048 573 HG21 THR 72 HG23 THR 72 5.870 -32.396 2.133 574 HG22 THR 72 HG21 THR 72 5.791 -30.710 1.561 575 HG23 THR 72 HG22 THR 72 7.287 -31.360 2.272 576 H ALA 73 H ALA 73 4.504 -32.222 6.265 577 HA ALA 73 HA ALA 73 5.273 -34.794 5.437 578 HB1 ALA 73 HB3 ALA 73 5.686 -33.881 7.687 579 HB2 ALA 73 HB1 ALA 73 3.951 -33.991 8.064 580 HB3 ALA 73 HB2 ALA 73 4.896 -35.464 7.776 581 H CYS 74 H CYS 74 2.048 -33.563 5.822 582 HA CYS 74 HA CYS 74 0.776 -36.198 5.932 583 HB2 CYS 74 HB2 CYS 74 -0.317 -33.373 5.674 584 HB3 CYS 74 HB3 CYS 74 -1.316 -34.846 5.882 585 HG CYS 74 HG CYS 74 -0.932 -33.385 8.155 586 H GLN 75 H GLN 75 2.265 -34.877 3.343 587 HA GLN 75 HA GLN 75 0.098 -35.066 1.375 588 HB2 GLN 75 HB2 GLN 75 3.031 -34.230 1.204 589 HB3 GLN 75 HB3 GLN 75 1.901 -34.241 -0.177 590 HG2 GLN 75 HG2 GLN 75 0.338 -32.882 1.129 591 HG3 GLN 75 HG3 GLN 75 1.504 -32.751 2.449 592 HE21 GLN 75 HE22 GLN 75 3.885 -32.337 0.721 593 HE22 GLN 75 HE21 GLN 75 3.624 -30.745 -0.024 594 H GLY 76 H GLY 76 -0.506 -36.954 0.626 595 HA2 GLY 76 HA2 GLY 76 -0.417 -39.049 -0.368 596 HA3 GLY 76 HA3 GLY 76 1.288 -38.760 -0.749 597 H VAL 77 H VAL 77 0.705 -38.342 2.517 598 HA VAL 77 HA VAL 77 2.538 -39.979 3.544 599 HB VAL 77 HB VAL 77 1.308 -38.081 4.530 600 HG11 VAL 77 HG11 VAL 77 -0.659 -40.142 5.577 601 HG12 VAL 77 HG12 VAL 77 -0.609 -38.413 5.972 602 HG13 VAL 77 HG13 VAL 77 -1.004 -38.926 4.325 603 HG21 VAL 77 HG23 VAL 77 1.675 -40.274 6.578 604 HG22 VAL 77 HG21 VAL 77 2.999 -39.348 5.832 605 HG23 VAL 77 HG22 VAL 77 1.773 -38.522 6.802 606 H GLY 78 H GLY 78 0.115 -41.636 2.158 607 HA2 GLY 78 HA2 GLY 78 0.934 -44.104 3.493 608 HA3 GLY 78 HA3 GLY 78 -0.787 -43.759 3.660 609 H GLY 79 H GLY 79 -0.323 -42.519 0.681 610 HA2 GLY 79 HA2 GLY 79 0.076 -43.617 -1.441 611 HA3 GLY 79 HA3 GLY 79 -0.534 -45.130 -0.779 612 HA PRO 80 HA PRO 80 -4.640 -43.752 -2.150 613 HB2 PRO 80 HB2 PRO 80 -6.385 -44.740 -0.307 614 HB3 PRO 80 HB3 PRO 80 -5.466 -45.806 -1.413 615 HG2 PRO 80 HG2 PRO 80 -4.811 -45.090 1.459 616 HG3 PRO 80 HG3 PRO 80 -4.832 -46.715 0.702 617 HD2 PRO 80 HD2 PRO 80 -2.562 -45.226 1.033 618 HD3 PRO 80 HD3 PRO 80 -2.762 -46.344 -0.350 619 H GLY 81 H GLY 81 -6.531 -42.357 -1.437 620 HA2 GLY 81 HA2 GLY 81 -6.385 -40.671 0.875 621 HA3 GLY 81 HA3 GLY 81 -5.514 -39.938 -0.468 622 H HIS 82 H HIS 82 -6.905 -38.288 -0.516 623 HA HIS 82 HA HIS 82 -8.498 -36.911 -1.092 624 HB2 HIS 82 HB2 HIS 82 -8.959 -36.808 -3.260 625 HB3 HIS 82 HB3 HIS 82 -7.755 -38.085 -3.341 626 HD2 HIS 82 HD2 HIS 82 -9.088 -40.738 -3.329 627 HE1 HIS 82 HE1 HIS 82 -12.368 -39.189 -5.558 628 HE2 HIS 82 HE2 HIS 82 -11.147 -41.320 -4.830 629 H LYS 83 H LYS 83 -9.708 -39.705 0.133 630 HA LYS 83 HA LYS 83 -12.414 -39.717 -0.258 631 HB2 LYS 83 HB2 LYS 83 -11.051 -41.316 1.058 632 HB3 LYS 83 HB3 LYS 83 -11.013 -40.192 2.415 633 HG2 LYS 83 HG2 LYS 83 -13.634 -41.151 1.204 634 HG3 LYS 83 HG3 LYS 83 -12.749 -42.163 2.347 635 HD2 LYS 83 HD2 LYS 83 -12.938 -40.527 4.122 636 HD3 LYS 83 HD3 LYS 83 -13.590 -39.321 3.022 637 HE2 LYS 83 HE2 LYS 83 -15.458 -41.107 2.556 638 HE3 LYS 83 HE3 LYS 83 -14.967 -41.734 4.142 639 HZ1 LYS 83 HZ3 LYS 83 -15.304 -39.435 4.992 640 HZ2 LYS 83 HZ1 LYS 83 -15.785 -38.950 3.500 641 HZ3 LYS 83 HZ2 LYS 83 -16.705 -40.024 4.336 642 H ALA 84 H ALA 84 -13.752 -38.101 -0.351 643 HA ALA 84 HA ALA 84 -13.784 -35.969 1.723 644 HB1 ALA 84 HB3 ALA 84 -13.225 -35.418 -0.637 645 HB2 ALA 84 HB1 ALA 84 -14.836 -35.971 -1.136 646 HB3 ALA 84 HB2 ALA 84 -14.657 -34.567 -0.054 647 H ARG 85 H ARG 85 -16.423 -35.157 0.515 648 HA ARG 85 HA ARG 85 -18.393 -37.115 1.531 649 HB2 ARG 85 HB2 ARG 85 -17.994 -35.461 3.375 650 HB3 ARG 85 HB3 ARG 85 -18.391 -34.153 2.253 651 HG2 ARG 85 HG2 ARG 85 -20.685 -35.093 1.999 652 HG3 ARG 85 HG3 ARG 85 -20.292 -36.386 3.131 653 HD2 ARG 85 HD2 ARG 85 -20.141 -34.835 4.938 654 HD3 ARG 85 HD3 ARG 85 -20.077 -33.441 3.829 655 HE ARG 85 HE ARG 85 -22.476 -34.591 3.164 656 HH11 ARG 85 HH11 ARG 85 -21.320 -33.410 6.245 657 HH12 ARG 85 HH12 ARG 85 -22.934 -32.939 6.735 658 HH21 ARG 85 HH21 ARG 85 -24.355 -33.781 3.733 659 HH22 ARG 85 HH22 ARG 85 -24.650 -33.184 5.332 660 H VAL 86 H VAL 86 -20.450 -36.749 0.533 661 HA VAL 86 HA VAL 86 -20.457 -35.297 -2.073 662 HB VAL 86 HB VAL 86 -22.629 -36.553 -2.406 663 HG11 VAL 86 HG11 VAL 86 -20.122 -38.243 -2.049 664 HG12 VAL 86 HG12 VAL 86 -21.537 -38.646 -3.045 665 HG13 VAL 86 HG13 VAL 86 -20.529 -37.251 -3.464 666 HG21 VAL 86 HG23 VAL 86 -21.672 -38.373 -0.146 667 HG22 VAL 86 HG21 VAL 86 -22.955 -37.172 0.075 668 HG23 VAL 86 HG22 VAL 86 -23.163 -38.486 -1.094 669 H LEU 87 H LEU 87 -23.586 -35.315 -1.346 670 HA LEU 87 HA LEU 87 -23.664 -32.686 -0.083 671 HB2 LEU 87 HB2 LEU 87 -25.955 -32.726 -0.440 672 HB3 LEU 87 HB3 LEU 87 -25.291 -33.495 -1.871 673 HG LEU 87 HG LEU 87 -26.698 -34.859 0.481 674 HD11 LEU 87 HD11 LEU 87 -27.505 -34.467 -2.431 675 HD12 LEU 87 HD12 LEU 87 -28.450 -35.300 -1.173 676 HD13 LEU 87 HD13 LEU 87 -28.146 -33.563 -1.040 677 HD21 LEU 87 HD23 LEU 87 -25.542 -36.075 -2.066 678 HD22 LEU 87 HD21 LEU 87 -25.088 -36.439 -0.374 679 HD23 LEU 87 HD22 LEU 87 -26.679 -36.897 -0.969 Start of MODEL 26 1 H1 MET 1 H1 MET 1 6.909 -5.229 -3.841 2 H2 MET 1 H2 MET 1 5.811 -4.111 -4.289 3 H3 MET 1 H3 MET 1 6.921 -3.745 -3.106 4 HA MET 1 HA MET 1 7.493 -2.701 -5.241 5 HB2 MET 1 HB2 MET 1 9.345 -4.941 -4.292 6 HB3 MET 1 HB3 MET 1 9.811 -3.708 -5.469 7 HG2 MET 1 HG2 MET 1 10.664 -3.070 -3.346 8 HG3 MET 1 HG3 MET 1 9.417 -1.927 -3.835 9 HE1 MET 1 HE3 MET 1 10.727 -2.184 -0.905 10 HE2 MET 1 HE1 MET 1 9.513 -0.958 -1.340 11 HE3 MET 1 HE2 MET 1 9.287 -1.960 0.110 12 H SER 2 H SER 2 9.206 -4.496 -7.142 13 HA SER 2 HA SER 2 7.135 -5.540 -8.846 14 HB2 SER 2 HB2 SER 2 9.360 -6.960 -9.550 15 HB3 SER 2 HB3 SER 2 8.940 -5.351 -10.155 16 HG SER 2 HG SER 2 11.070 -5.386 -9.404 17 HA PRO 3 HA PRO 3 7.582 -9.569 -6.356 18 HB2 PRO 3 HB2 PRO 3 9.065 -9.659 -4.053 19 HB3 PRO 3 HB3 PRO 3 9.729 -10.095 -5.656 20 HG2 PRO 3 HG2 PRO 3 9.974 -7.451 -4.195 21 HG3 PRO 3 HG3 PRO 3 11.266 -8.394 -5.004 22 HD2 PRO 3 HD2 PRO 3 10.056 -6.303 -6.228 23 HD3 PRO 3 HD3 PRO 3 10.516 -7.760 -7.149 24 H THR 4 H THR 4 6.037 -9.956 -4.780 25 HA THR 4 HA THR 4 4.980 -7.673 -3.178 26 HB THR 4 HB THR 4 2.669 -8.362 -4.111 27 HG1 THR 4 HG1 THR 4 4.146 -9.025 -6.406 28 HG21 THR 4 HG23 THR 4 3.782 -6.210 -4.621 29 HG22 THR 4 HG21 THR 4 4.622 -6.975 -5.989 30 HG23 THR 4 HG22 THR 4 2.852 -6.836 -5.990 31 H SER 5 H SER 5 6.330 -9.439 -1.872 32 HA SER 5 HA SER 5 5.379 -11.789 -0.901 33 HB2 SER 5 HB2 SER 5 6.474 -9.662 0.927 34 HB3 SER 5 HB3 SER 5 6.705 -11.414 1.011 35 HG SER 5 HG SER 5 8.144 -11.283 -0.692 36 H ILE 6 H ILE 6 4.244 -12.455 0.989 37 HA ILE 6 HA ILE 6 1.613 -11.318 0.768 38 HB ILE 6 HB ILE 6 0.798 -13.282 1.583 39 HG12 ILE 6 HG12 ILE 6 2.318 -14.855 3.029 40 HG13 ILE 6 HG13 ILE 6 3.176 -13.401 3.444 41 HG21 ILE 6 HG21 ILE 6 3.618 -14.179 0.917 42 HG22 ILE 6 HG22 ILE 6 2.134 -15.119 0.744 43 HG23 ILE 6 HG23 ILE 6 2.418 -13.718 -0.326 44 HD11 ILE 6 HD13 ILE 6 1.191 -12.490 4.570 45 HD12 ILE 6 HD11 ILE 6 0.187 -13.808 3.946 46 HD13 ILE 6 HD12 ILE 6 1.479 -14.128 5.128 47 H LEU 7 H LEU 7 3.980 -11.211 3.271 48 HA LEU 7 HA LEU 7 2.472 -10.916 5.523 49 HB2 LEU 7 HB2 LEU 7 4.382 -10.010 6.665 50 HB3 LEU 7 HB3 LEU 7 4.874 -11.213 5.490 51 HG LEU 7 HG LEU 7 5.511 -9.265 3.929 52 HD11 LEU 7 HD11 LEU 7 5.214 -7.693 6.536 53 HD12 LEU 7 HD12 LEU 7 6.161 -7.152 5.133 54 HD13 LEU 7 HD13 LEU 7 4.427 -7.341 4.982 55 HD21 LEU 7 HD23 LEU 7 6.951 -9.603 6.595 56 HD22 LEU 7 HD21 LEU 7 7.132 -10.640 5.155 57 HD23 LEU 7 HD22 LEU 7 7.662 -8.957 5.097 58 H ASP 8 H ASP 8 2.209 -8.695 3.244 59 HA ASP 8 HA ASP 8 1.357 -6.239 4.603 60 HB2 ASP 8 HB2 ASP 8 2.273 -6.070 2.406 61 HB3 ASP 8 HB3 ASP 8 1.385 -7.470 1.824 62 H ILE 9 H ILE 9 -0.217 -9.029 2.982 63 HA ILE 9 HA ILE 9 -2.876 -7.899 3.324 64 HB ILE 9 HB ILE 9 -3.675 -9.798 2.085 65 HG12 ILE 9 HG12 ILE 9 -1.019 -11.017 1.476 66 HG13 ILE 9 HG13 ILE 9 -1.556 -11.273 3.143 67 HG21 ILE 9 HG21 ILE 9 -1.155 -8.725 0.780 68 HG22 ILE 9 HG22 ILE 9 -2.594 -9.400 -0.031 69 HG23 ILE 9 HG23 ILE 9 -2.698 -7.880 0.879 70 HD11 ILE 9 HD13 ILE 9 -3.711 -12.091 2.343 71 HD12 ILE 9 HD11 ILE 9 -3.143 -11.955 0.661 72 HD13 ILE 9 HD12 ILE 9 -2.343 -13.087 1.796 73 H ARG 10 H ARG 10 -1.702 -8.458 5.790 74 HA ARG 10 HA ARG 10 -2.184 -10.828 7.099 75 HB2 ARG 10 HB2 ARG 10 -2.185 -7.965 8.015 76 HB3 ARG 10 HB3 ARG 10 -2.680 -9.199 9.172 77 HG2 ARG 10 HG2 ARG 10 -0.069 -9.309 7.624 78 HG3 ARG 10 HG3 ARG 10 -0.302 -8.633 9.234 79 HD2 ARG 10 HD2 ARG 10 -1.163 -10.905 10.014 80 HD3 ARG 10 HD3 ARG 10 -0.688 -11.524 8.432 81 HE ARG 10 HE ARG 10 1.562 -11.361 8.960 82 HH11 ARG 10 HH11 ARG 10 -0.165 -9.644 11.464 83 HH12 ARG 10 HH12 ARG 10 1.252 -9.448 12.455 84 HH21 ARG 10 HH21 ARG 10 3.345 -11.076 10.258 85 HH22 ARG 10 HH22 ARG 10 3.201 -10.228 11.765 86 H GLN 11 H GLN 11 -3.690 -12.017 7.304 87 HA GLN 11 HA GLN 11 -6.417 -11.029 8.136 88 HB2 GLN 11 HB2 GLN 11 -6.445 -12.201 6.004 89 HB3 GLN 11 HB3 GLN 11 -5.750 -13.655 6.774 90 HG2 GLN 11 HG2 GLN 11 -7.675 -14.097 8.026 91 HG3 GLN 11 HG3 GLN 11 -8.247 -12.442 7.902 92 HE21 GLN 11 HE22 GLN 11 -10.189 -14.116 7.463 93 HE22 GLN 11 HE21 GLN 11 -10.461 -14.377 5.731 94 H GLY 12 H GLY 12 -3.878 -13.443 8.987 95 HA2 GLY 12 HA2 GLY 12 -3.851 -13.045 11.603 96 HA3 GLY 12 HA3 GLY 12 -5.328 -14.010 11.518 97 HA PRO 13 HA PRO 13 -1.508 -16.630 10.044 98 HB2 PRO 13 HB2 PRO 13 0.856 -16.212 11.412 99 HB3 PRO 13 HB3 PRO 13 0.308 -15.246 10.019 100 HG2 PRO 13 HG2 PRO 13 -0.007 -14.622 12.962 101 HG3 PRO 13 HG3 PRO 13 0.609 -13.551 11.658 102 HD2 PRO 13 HD2 PRO 13 -1.983 -13.503 12.539 103 HD3 PRO 13 HD3 PRO 13 -1.594 -13.196 10.804 104 H LYS 14 H LYS 14 -3.433 -17.066 12.229 105 HA LYS 14 HA LYS 14 -2.325 -19.695 12.970 106 HB2 LYS 14 HB2 LYS 14 -2.596 -19.494 15.176 107 HB3 LYS 14 HB3 LYS 14 -1.862 -17.976 14.750 108 HG2 LYS 14 HG2 LYS 14 -3.325 -17.227 16.293 109 HG3 LYS 14 HG3 LYS 14 -4.370 -17.077 14.879 110 HD2 LYS 14 HD2 LYS 14 -5.575 -19.097 15.486 111 HD3 LYS 14 HD3 LYS 14 -4.335 -19.563 16.661 112 HE2 LYS 14 HE2 LYS 14 -4.915 -17.655 18.094 113 HE3 LYS 14 HE3 LYS 14 -6.088 -17.087 16.885 114 HZ1 LYS 14 HZ3 LYS 14 -7.374 -19.010 17.172 115 HZ2 LYS 14 HZ1 LYS 14 -6.316 -19.736 18.194 116 HZ3 LYS 14 HZ2 LYS 14 -7.172 -18.379 18.651 117 H GLU 15 H GLU 15 -4.942 -17.976 11.950 118 HA GLU 15 HA GLU 15 -7.019 -19.801 13.046 119 HB2 GLU 15 HB2 GLU 15 -7.001 -16.967 12.019 120 HB3 GLU 15 HB3 GLU 15 -8.510 -17.862 11.968 121 HG2 GLU 15 HG2 GLU 15 -6.821 -17.314 14.435 122 HG3 GLU 15 HG3 GLU 15 -8.295 -16.467 13.975 123 HA PRO 16 HA PRO 16 -8.639 -20.240 8.708 124 HB2 PRO 16 HB2 PRO 16 -7.900 -18.803 6.561 125 HB3 PRO 16 HB3 PRO 16 -8.665 -17.981 7.957 126 HG2 PRO 16 HG2 PRO 16 -5.688 -18.216 7.349 127 HG3 PRO 16 HG3 PRO 16 -6.623 -16.732 7.720 128 HD2 PRO 16 HD2 PRO 16 -5.231 -18.200 9.607 129 HD3 PRO 16 HD3 PRO 16 -6.692 -17.228 9.967 130 H PHE 17 H PHE 17 -8.351 -21.480 6.652 131 HA PHE 17 HA PHE 17 -5.540 -22.127 5.956 132 HB2 PHE 17 HB2 PHE 17 -7.566 -24.165 6.582 133 HB3 PHE 17 HB3 PHE 17 -6.777 -24.375 5.053 134 HD1 PHE 17 HD2 PHE 17 -5.573 -23.276 8.471 135 HD2 PHE 17 HD1 PHE 17 -4.992 -25.904 5.096 136 HE1 PHE 17 HE2 PHE 17 -3.310 -23.851 9.296 137 HE2 PHE 17 HE1 PHE 17 -2.776 -26.587 6.047 138 HZ PHE 17 HZ PHE 17 -1.904 -25.432 8.081 139 H ARG 18 H ARG 18 -8.506 -23.132 4.030 140 HA ARG 18 HA ARG 18 -6.931 -22.225 1.846 141 HB2 ARG 18 HB2 ARG 18 -8.596 -23.060 0.394 142 HB3 ARG 18 HB3 ARG 18 -8.265 -24.143 1.737 143 HG2 ARG 18 HG2 ARG 18 -10.608 -24.185 1.064 144 HG3 ARG 18 HG3 ARG 18 -10.352 -23.792 2.762 145 HD2 ARG 18 HD2 ARG 18 -12.139 -22.473 1.776 146 HD3 ARG 18 HD3 ARG 18 -10.851 -21.515 2.404 147 HE ARG 18 HE ARG 18 -10.212 -21.761 -0.315 148 HH11 ARG 18 HH11 ARG 18 -12.722 -20.143 1.590 149 HH12 ARG 18 HH12 ARG 18 -13.183 -19.160 0.235 150 HH21 ARG 18 HH21 ARG 18 -10.478 -20.086 -1.691 151 HH22 ARG 18 HH22 ARG 18 -11.906 -19.107 -1.569 152 H ASP 19 H ASP 19 -9.466 -20.763 3.484 153 HA ASP 19 HA ASP 19 -10.239 -18.696 1.766 154 HB2 ASP 19 HB2 ASP 19 -10.046 -18.418 4.790 155 HB3 ASP 19 HB3 ASP 19 -11.238 -17.695 3.703 156 H TYR 20 H TYR 20 -7.392 -19.068 3.469 157 HA TYR 20 HA TYR 20 -6.342 -16.362 2.704 158 HB2 TYR 20 HB2 TYR 20 -6.560 -16.931 5.178 159 HB3 TYR 20 HB3 TYR 20 -5.237 -18.072 4.937 160 HD1 TYR 20 HD1 TYR 20 -6.165 -14.549 3.995 161 HD2 TYR 20 HD2 TYR 20 -3.110 -17.168 5.531 162 HE1 TYR 20 HE1 TYR 20 -4.672 -12.621 4.297 163 HE2 TYR 20 HE2 TYR 20 -1.601 -15.210 5.868 164 HH TYR 20 HH TYR 20 -2.660 -11.917 4.986 165 H VAL 21 H VAL 21 -5.619 -19.852 2.704 166 HA VAL 21 HA VAL 21 -2.991 -19.836 1.815 167 HB VAL 21 HB VAL 21 -4.722 -21.787 2.379 168 HG11 VAL 21 HG11 VAL 21 -4.411 -22.267 -0.604 169 HG12 VAL 21 HG12 VAL 21 -5.235 -23.273 0.619 170 HG13 VAL 21 HG13 VAL 21 -5.913 -21.711 0.114 171 HG21 VAL 21 HG23 VAL 21 -2.502 -22.633 0.582 172 HG22 VAL 21 HG21 VAL 21 -2.139 -21.820 2.099 173 HG23 VAL 21 HG22 VAL 21 -3.133 -23.256 2.135 174 H ASP 22 H ASP 22 -5.894 -19.528 -0.155 175 HA ASP 22 HA ASP 22 -4.889 -19.439 -2.733 176 HB2 ASP 22 HB2 ASP 22 -7.101 -18.081 -1.188 177 HB3 ASP 22 HB3 ASP 22 -6.940 -17.875 -2.900 178 H ARG 23 H ARG 23 -5.393 -16.858 -0.477 179 HA ARG 23 HA ARG 23 -4.379 -14.662 -2.094 180 HB2 ARG 23 HB2 ARG 23 -4.746 -14.236 0.842 181 HB3 ARG 23 HB3 ARG 23 -5.383 -13.333 -0.535 182 HG2 ARG 23 HG2 ARG 23 -6.477 -15.881 0.673 183 HG3 ARG 23 HG3 ARG 23 -7.139 -14.279 0.913 184 HD2 ARG 23 HD2 ARG 23 -6.869 -15.401 -1.875 185 HD3 ARG 23 HD3 ARG 23 -8.144 -16.001 -0.803 186 HE ARG 23 HE ARG 23 -8.370 -13.250 -0.691 187 HH11 ARG 23 HH11 ARG 23 -8.546 -15.676 -3.161 188 HH12 ARG 23 HH12 ARG 23 -9.482 -14.723 -4.272 189 HH21 ARG 23 HH21 ARG 23 -9.823 -12.075 -2.072 190 HH22 ARG 23 HH22 ARG 23 -10.241 -12.727 -3.628 191 H PHE 24 H PHE 24 -3.046 -16.735 0.271 192 HA PHE 24 HA PHE 24 -0.545 -15.305 0.731 193 HB2 PHE 24 HB2 PHE 24 -1.653 -16.577 2.465 194 HB3 PHE 24 HB3 PHE 24 -1.740 -18.009 1.452 195 HD1 PHE 24 HD2 PHE 24 0.191 -19.373 0.990 196 HD2 PHE 24 HD1 PHE 24 0.355 -16.143 3.792 197 HE1 PHE 24 HE2 PHE 24 2.470 -20.039 1.585 198 HE2 PHE 24 HE1 PHE 24 2.665 -16.802 4.398 199 HZ PHE 24 HZ PHE 24 3.857 -18.549 3.057 200 H TYR 25 H TYR 25 -1.153 -18.587 -0.796 201 HA TYR 25 HA TYR 25 1.485 -18.655 -1.901 202 HB2 TYR 25 HB2 TYR 25 -0.929 -20.346 -2.463 203 HB3 TYR 25 HB3 TYR 25 0.529 -20.486 -3.414 204 HD1 TYR 25 HD2 TYR 25 -0.873 -21.043 -0.019 205 HD2 TYR 25 HD1 TYR 25 2.562 -21.652 -2.538 206 HE1 TYR 25 HE2 TYR 25 0.000 -22.679 1.552 207 HE2 TYR 25 HE1 TYR 25 3.410 -23.372 -0.968 208 HH TYR 25 HH TYR 25 2.841 -24.716 1.105 209 H LYS 26 H LYS 26 -1.448 -17.138 -3.155 210 HA LYS 26 HA LYS 26 -0.846 -16.638 -5.799 211 HB2 LYS 26 HB2 LYS 26 -2.795 -15.653 -5.390 212 HB3 LYS 26 HB3 LYS 26 -2.415 -15.330 -3.716 213 HG2 LYS 26 HG2 LYS 26 -1.293 -13.419 -5.771 214 HG3 LYS 26 HG3 LYS 26 -2.994 -13.368 -5.335 215 HD2 LYS 26 HD2 LYS 26 -2.591 -13.053 -3.062 216 HD3 LYS 26 HD3 LYS 26 -0.864 -13.438 -3.193 217 HE2 LYS 26 HE2 LYS 26 -0.657 -11.262 -4.531 218 HE3 LYS 26 HE3 LYS 26 -2.323 -10.911 -4.040 219 HZ1 LYS 26 HZ3 LYS 26 -1.547 -11.196 -1.697 220 HZ2 LYS 26 HZ1 LYS 26 -0.023 -11.449 -2.244 221 HZ3 LYS 26 HZ2 LYS 26 -0.721 -9.974 -2.438 222 H THR 27 H THR 27 1.044 -15.294 -3.133 223 HA THR 27 HA THR 27 2.791 -14.128 -5.265 224 HB THR 27 HB THR 27 3.441 -12.358 -3.529 225 HG1 THR 27 HG1 THR 27 2.152 -11.762 -2.149 226 HG21 THR 27 HG23 THR 27 2.558 -11.825 -5.703 227 HG22 THR 27 HG21 THR 27 0.921 -12.302 -5.238 228 HG23 THR 27 HG22 THR 27 1.666 -10.845 -4.532 229 H LEU 28 H LEU 28 2.761 -15.583 -2.012 230 HA LEU 28 HA LEU 28 5.465 -15.786 -1.473 231 HB2 LEU 28 HB2 LEU 28 3.602 -16.800 -0.144 232 HB3 LEU 28 HB3 LEU 28 3.305 -17.905 -1.441 233 HG LEU 28 HG LEU 28 6.027 -18.360 -0.912 234 HD11 LEU 28 HD11 LEU 28 4.770 -17.360 1.548 235 HD12 LEU 28 HD12 LEU 28 5.744 -18.853 1.642 236 HD13 LEU 28 HD13 LEU 28 6.422 -17.355 0.998 237 HD21 LEU 28 HD23 LEU 28 3.509 -19.805 -0.144 238 HD22 LEU 28 HD21 LEU 28 4.493 -20.015 -1.570 239 HD23 LEU 28 HD22 LEU 28 5.147 -20.496 0.015 240 H ARG 29 H ARG 29 3.776 -17.671 -4.067 241 HA ARG 29 HA ARG 29 6.087 -19.229 -4.658 242 HB2 ARG 29 HB2 ARG 29 4.870 -19.963 -6.662 243 HB3 ARG 29 HB3 ARG 29 3.926 -20.017 -5.185 244 HG2 ARG 29 HG2 ARG 29 2.397 -19.089 -6.584 245 HG3 ARG 29 HG3 ARG 29 3.103 -17.636 -5.890 246 HD2 ARG 29 HD2 ARG 29 4.594 -17.438 -7.912 247 HD3 ARG 29 HD3 ARG 29 3.672 -18.750 -8.651 248 HE ARG 29 HE ARG 29 2.874 -15.973 -8.246 249 HH11 ARG 29 HH11 ARG 29 1.551 -19.155 -8.732 250 HH12 ARG 29 HH12 ARG 29 -0.084 -18.575 -8.940 251 HH21 ARG 29 HH21 ARG 29 0.754 -15.328 -8.218 252 HH22 ARG 29 HH22 ARG 29 -0.460 -16.367 -8.914 253 H ALA 30 H ALA 30 6.281 -15.995 -4.997 254 HA ALA 30 HA ALA 30 7.787 -16.014 -7.541 255 HB1 ALA 30 HB3 ALA 30 6.658 -13.961 -6.896 256 HB2 ALA 30 HB1 ALA 30 7.507 -13.927 -5.344 257 HB3 ALA 30 HB2 ALA 30 8.419 -13.720 -6.847 258 H GLU 31 H GLU 31 8.427 -16.496 -4.080 259 HA GLU 31 HA GLU 31 11.118 -17.554 -4.853 260 HB2 GLU 31 HB2 GLU 31 11.783 -16.966 -2.488 261 HB3 GLU 31 HB3 GLU 31 11.632 -15.670 -3.655 262 HG2 GLU 31 HG2 GLU 31 9.378 -16.312 -1.725 263 HG3 GLU 31 HG3 GLU 31 10.746 -15.309 -1.258 264 H GLN 32 H GLN 32 8.130 -18.578 -3.766 265 HA GLN 32 HA GLN 32 9.284 -21.272 -3.080 266 HB2 GLN 32 HB2 GLN 32 6.653 -20.093 -2.197 267 HB3 GLN 32 HB3 GLN 32 7.244 -21.698 -1.770 268 HG2 GLN 32 HG2 GLN 32 8.612 -19.107 -0.971 269 HG3 GLN 32 HG3 GLN 32 7.437 -19.949 0.041 270 HE21 GLN 32 HE22 GLN 32 10.748 -20.264 -1.419 271 HE22 GLN 32 HE21 GLN 32 11.215 -21.478 -0.223 272 H ALA 33 H ALA 33 9.217 -20.711 -5.563 273 HA ALA 33 HA ALA 33 7.005 -20.649 -7.155 274 HB1 ALA 33 HB3 ALA 33 9.285 -20.183 -7.880 275 HB2 ALA 33 HB1 ALA 33 9.678 -21.921 -7.823 276 HB3 ALA 33 HB2 ALA 33 8.489 -21.308 -8.993 277 H SER 34 H SER 34 7.711 -23.518 -5.473 278 HA SER 34 HA SER 34 5.561 -24.930 -6.915 279 HB2 SER 34 HB2 SER 34 6.928 -27.047 -6.833 280 HB3 SER 34 HB3 SER 34 7.509 -25.838 -7.989 281 HG SER 34 HG SER 34 8.573 -26.221 -5.372 282 H GLN 35 H GLN 35 4.534 -26.613 -5.581 283 HA GLN 35 HA GLN 35 4.365 -26.212 -2.831 284 HB2 GLN 35 HB2 GLN 35 2.963 -28.123 -3.042 285 HB3 GLN 35 HB3 GLN 35 2.715 -27.147 -4.444 286 HG2 GLN 35 HG2 GLN 35 2.786 -29.149 -5.494 287 HG3 GLN 35 HG3 GLN 35 4.512 -28.853 -5.531 288 HE21 GLN 35 HE22 GLN 35 5.885 -30.246 -4.133 289 HE22 GLN 35 HE21 GLN 35 5.132 -31.664 -3.366 290 H GLU 36 H GLU 36 5.344 -27.246 -1.096 291 HA GLU 36 HA GLU 36 7.018 -29.604 -1.358 292 HB2 GLU 36 HB2 GLU 36 8.654 -28.145 -2.245 293 HB3 GLU 36 HB3 GLU 36 8.274 -26.851 -1.086 294 HG2 GLU 36 HG2 GLU 36 9.234 -27.943 0.659 295 HG3 GLU 36 HG3 GLU 36 9.169 -29.545 -0.102 296 H VAL 37 H VAL 37 7.326 -30.607 0.575 297 HA VAL 37 HA VAL 37 5.825 -30.112 2.919 298 HB VAL 37 HB VAL 37 8.218 -31.823 2.258 299 HG11 VAL 37 HG11 VAL 37 6.781 -31.763 4.929 300 HG12 VAL 37 HG12 VAL 37 7.841 -33.073 4.380 301 HG13 VAL 37 HG13 VAL 37 8.504 -31.453 4.648 302 HG21 VAL 37 HG23 VAL 37 5.306 -32.441 2.924 303 HG22 VAL 37 HG21 VAL 37 6.005 -32.432 1.298 304 HG23 VAL 37 HG22 VAL 37 6.543 -33.636 2.480 305 H LYS 38 H LYS 38 8.973 -28.766 2.063 306 HA LYS 38 HA LYS 38 9.752 -28.003 4.776 307 HB2 LYS 38 HB2 LYS 38 10.713 -26.647 2.262 308 HB3 LYS 38 HB3 LYS 38 11.589 -26.881 3.763 309 HG2 LYS 38 HG2 LYS 38 10.961 -29.119 1.824 310 HG3 LYS 38 HG3 LYS 38 12.352 -28.036 1.691 311 HD2 LYS 38 HD2 LYS 38 12.948 -28.924 4.072 312 HD3 LYS 38 HD3 LYS 38 11.830 -30.241 3.666 313 HE2 LYS 38 HE2 LYS 38 14.345 -29.337 2.195 314 HE3 LYS 38 HE3 LYS 38 14.070 -30.911 2.955 315 HZ1 LYS 38 HZ3 LYS 38 12.367 -31.297 1.165 316 HZ2 LYS 38 HZ1 LYS 38 12.686 -29.869 0.503 317 HZ3 LYS 38 HZ2 LYS 38 13.848 -30.997 0.498 318 H ASN 39 H ASN 39 7.075 -26.910 3.419 319 HA ASN 39 HA ASN 39 7.293 -24.279 2.669 320 HB2 ASN 39 HB2 ASN 39 5.190 -24.205 2.450 321 HB3 ASN 39 HB3 ASN 39 5.294 -25.935 2.683 322 HD21 ASN 39 HD22 ASN 39 3.145 -23.966 3.056 323 HD22 ASN 39 HD21 ASN 39 2.606 -24.238 4.707 324 H ALA 40 H ALA 40 7.152 -25.184 6.144 325 HA ALA 40 HA ALA 40 7.080 -22.652 7.278 326 HB1 ALA 40 HB3 ALA 40 6.959 -24.794 8.495 327 HB2 ALA 40 HB1 ALA 40 8.690 -25.073 8.193 328 HB3 ALA 40 HB2 ALA 40 8.167 -23.714 9.204 329 H MET 41 H MET 41 9.636 -23.675 5.216 330 HA MET 41 HA MET 41 11.762 -21.967 6.185 331 HB2 MET 41 HB2 MET 41 11.098 -23.190 3.476 332 HB3 MET 41 HB3 MET 41 12.525 -22.207 3.727 333 HG2 MET 41 HG2 MET 41 11.892 -24.790 5.187 334 HG3 MET 41 HG3 MET 41 13.038 -24.589 3.870 335 HE1 MET 41 HE3 MET 41 15.173 -22.825 4.121 336 HE2 MET 41 HE1 MET 41 14.294 -21.582 5.050 337 HE3 MET 41 HE2 MET 41 15.784 -22.289 5.703 338 H THR 42 H THR 42 8.763 -21.066 4.981 339 HA THR 42 HA THR 42 9.667 -18.261 4.680 340 HB THR 42 HB THR 42 7.633 -18.070 2.987 341 HG1 THR 42 HG1 THR 42 8.490 -20.705 2.433 342 HG21 THR 42 HG23 THR 42 10.046 -17.575 2.524 343 HG22 THR 42 HG21 THR 42 10.286 -19.287 2.104 344 HG23 THR 42 HG22 THR 42 9.188 -18.252 1.145 345 H GLU 43 H GLU 43 7.395 -16.918 4.574 346 HA GLU 43 HA GLU 43 6.452 -16.933 7.226 347 HB2 GLU 43 HB2 GLU 43 4.849 -15.282 6.356 348 HB3 GLU 43 HB3 GLU 43 6.499 -14.998 5.781 349 HG2 GLU 43 HG2 GLU 43 4.958 -16.702 3.948 350 HG3 GLU 43 HG3 GLU 43 4.128 -15.185 4.301 351 H THR 44 H THR 44 5.548 -19.219 5.140 352 HA THR 44 HA THR 44 2.869 -19.507 5.005 353 HB THR 44 HB THR 44 3.177 -21.719 4.493 354 HG1 THR 44 HG1 THR 44 5.793 -21.893 5.337 355 HG21 THR 44 HG23 THR 44 4.166 -20.698 2.654 356 HG22 THR 44 HG21 THR 44 5.612 -20.262 3.577 357 HG23 THR 44 HG22 THR 44 5.290 -21.937 3.109 358 H LEU 45 H LEU 45 1.303 -20.552 5.755 359 HA LEU 45 HA LEU 45 1.205 -21.325 8.605 360 HB2 LEU 45 HB2 LEU 45 -0.833 -19.657 7.138 361 HB3 LEU 45 HB3 LEU 45 -0.631 -19.778 8.862 362 HG LEU 45 HG LEU 45 1.391 -18.353 7.052 363 HD11 LEU 45 HD11 LEU 45 -1.234 -17.320 8.068 364 HD12 LEU 45 HD12 LEU 45 0.145 -16.282 7.575 365 HD13 LEU 45 HD13 LEU 45 -0.598 -17.395 6.418 366 HD21 LEU 45 HD23 LEU 45 0.673 -18.139 9.997 367 HD22 LEU 45 HD21 LEU 45 2.135 -18.847 9.308 368 HD23 LEU 45 HD22 LEU 45 1.872 -17.117 9.127 369 H LEU 46 H LEU 46 0.572 -22.417 5.526 370 HA LEU 46 HA LEU 46 -1.496 -24.284 6.019 371 HB2 LEU 46 HB2 LEU 46 -3.243 -23.120 4.523 372 HB3 LEU 46 HB3 LEU 46 -3.107 -22.651 6.164 373 HG LEU 46 HG LEU 46 -3.237 -21.009 3.961 374 HD11 LEU 46 HD11 LEU 46 -2.778 -20.599 6.858 375 HD12 LEU 46 HD12 LEU 46 -2.695 -19.205 5.763 376 HD13 LEU 46 HD13 LEU 46 -4.153 -20.204 5.835 377 HD21 LEU 46 HD23 LEU 46 -0.543 -20.211 5.032 378 HD22 LEU 46 HD21 LEU 46 -0.675 -21.191 3.575 379 HD23 LEU 46 HD22 LEU 46 -1.428 -19.597 3.654 380 H VAL 47 H VAL 47 -2.543 -25.024 3.759 381 HA VAL 47 HA VAL 47 -0.634 -24.890 1.512 382 HB VAL 47 HB VAL 47 -1.342 -27.413 3.012 383 HG11 VAL 47 HG11 VAL 47 -0.299 -27.313 0.136 384 HG12 VAL 47 HG12 VAL 47 -0.351 -28.754 1.176 385 HG13 VAL 47 HG13 VAL 47 -1.850 -28.013 0.647 386 HG21 VAL 47 HG23 VAL 47 1.246 -26.385 1.821 387 HG22 VAL 47 HG21 VAL 47 0.738 -26.219 3.519 388 HG23 VAL 47 HG22 VAL 47 1.013 -27.830 2.807 389 H GLN 48 H GLN 48 -1.478 -25.085 -0.376 390 HA GLN 48 HA GLN 48 -4.118 -24.511 -1.083 391 HB2 GLN 48 HB2 GLN 48 -1.865 -25.836 -2.635 392 HB3 GLN 48 HB3 GLN 48 -3.351 -25.227 -3.371 393 HG2 GLN 48 HG2 GLN 48 -2.842 -22.953 -2.838 394 HG3 GLN 48 HG3 GLN 48 -1.594 -23.412 -1.691 395 HE21 GLN 48 HE22 GLN 48 -2.156 -22.785 -5.131 396 HE22 GLN 48 HE21 GLN 48 -0.473 -23.140 -5.554 397 H ASN 49 H ASN 49 -5.912 -25.691 -1.139 398 HA ASN 49 HA ASN 49 -7.340 -27.378 -0.561 399 HB2 ASN 49 HB2 ASN 49 -7.065 -27.178 -3.026 400 HB3 ASN 49 HB3 ASN 49 -5.854 -28.451 -2.965 401 HD21 ASN 49 HD22 ASN 49 -6.721 -30.476 -3.428 402 HD22 ASN 49 HD21 ASN 49 -8.410 -30.894 -3.139 403 H ALA 50 H ALA 50 -4.701 -27.811 0.891 404 HA ALA 50 HA ALA 50 -3.495 -30.073 0.907 405 HB1 ALA 50 HB3 ALA 50 -3.310 -28.141 2.498 406 HB2 ALA 50 HB1 ALA 50 -4.525 -28.898 3.509 407 HB3 ALA 50 HB2 ALA 50 -2.960 -29.710 3.219 408 H ASN 51 H ASN 51 -6.649 -30.085 2.365 409 HA ASN 51 HA ASN 51 -7.616 -32.459 1.549 410 HB2 ASN 51 HB2 ASN 51 -5.753 -33.012 3.763 411 HB3 ASN 51 HB3 ASN 51 -7.364 -33.463 4.229 412 HD21 ASN 51 HD22 ASN 51 -5.091 -35.264 3.717 413 HD22 ASN 51 HD21 ASN 51 -5.691 -36.288 2.428 414 HA PRO 52 HA PRO 52 -11.016 -30.634 3.886 415 HB2 PRO 52 HB2 PRO 52 -12.537 -32.682 4.906 416 HB3 PRO 52 HB3 PRO 52 -12.553 -32.150 3.199 417 HG2 PRO 52 HG2 PRO 52 -11.106 -34.496 4.414 418 HG3 PRO 52 HG3 PRO 52 -11.981 -34.407 2.860 419 HD2 PRO 52 HD2 PRO 52 -9.258 -34.211 3.089 420 HD3 PRO 52 HD3 PRO 52 -10.165 -33.400 1.784 421 H ASP 53 H ASP 53 -9.434 -33.336 5.478 422 HA ASP 53 HA ASP 53 -10.216 -33.015 8.091 423 HB2 ASP 53 HB2 ASP 53 -7.555 -34.244 7.334 424 HB3 ASP 53 HB3 ASP 53 -8.700 -34.746 8.581 425 H CYS 54 H CYS 54 -6.950 -32.105 6.829 426 HA CYS 54 HA CYS 54 -5.846 -31.010 9.133 427 HB2 CYS 54 HB2 CYS 54 -4.751 -29.312 7.450 428 HB3 CYS 54 HB3 CYS 54 -4.358 -31.007 7.306 429 HG CYS 54 HG CYS 54 -4.648 -30.491 4.905 430 H LYS 55 H LYS 55 -7.565 -28.973 6.702 431 HA LYS 55 HA LYS 55 -7.907 -26.614 7.977 432 HB2 LYS 55 HB2 LYS 55 -10.184 -28.134 6.757 433 HB3 LYS 55 HB3 LYS 55 -9.937 -26.378 6.723 434 HG2 LYS 55 HG2 LYS 55 -7.744 -26.872 5.488 435 HG3 LYS 55 HG3 LYS 55 -8.289 -28.538 5.308 436 HD2 LYS 55 HD2 LYS 55 -9.524 -26.135 4.052 437 HD3 LYS 55 HD3 LYS 55 -8.473 -27.411 3.372 438 HE2 LYS 55 HE2 LYS 55 -10.946 -27.513 2.732 439 HE3 LYS 55 HE3 LYS 55 -10.129 -28.978 3.217 440 HZ1 LYS 55 HZ3 LYS 55 -11.166 -28.898 5.353 441 HZ2 LYS 55 HZ1 LYS 55 -11.848 -27.415 5.052 442 HZ3 LYS 55 HZ2 LYS 55 -12.333 -28.752 4.223 443 H THR 56 H THR 56 -10.181 -29.390 8.537 444 HA THR 56 HA THR 56 -11.541 -27.878 10.596 445 HB THR 56 HB THR 56 -12.714 -29.449 9.114 446 HG1 THR 56 HG1 THR 56 -12.935 -29.787 11.898 447 HG21 THR 56 HG23 THR 56 -11.393 -31.451 9.118 448 HG22 THR 56 HG21 THR 56 -11.515 -31.616 10.886 449 HG23 THR 56 HG22 THR 56 -12.953 -31.804 9.863 450 H ILE 57 H ILE 57 -8.651 -29.523 10.761 451 HA ILE 57 HA ILE 57 -8.923 -30.106 13.695 452 HB ILE 57 HB ILE 57 -6.834 -30.902 11.654 453 HG12 ILE 57 HG12 ILE 57 -8.612 -32.748 13.300 454 HG13 ILE 57 HG13 ILE 57 -9.210 -32.043 11.807 455 HG21 ILE 57 HG21 ILE 57 -6.923 -31.514 14.646 456 HG22 ILE 57 HG22 ILE 57 -5.842 -32.305 13.481 457 HG23 ILE 57 HG23 ILE 57 -5.667 -30.590 13.794 458 HD11 ILE 57 HD13 ILE 57 -7.220 -32.917 10.592 459 HD12 ILE 57 HD11 ILE 57 -6.767 -33.823 12.054 460 HD13 ILE 57 HD12 ILE 57 -8.305 -34.170 11.235 461 H LEU 58 H LEU 58 -6.331 -28.635 11.575 462 HA LEU 58 HA LEU 58 -5.046 -27.221 13.632 463 HB2 LEU 58 HB2 LEU 58 -5.337 -26.372 10.710 464 HB3 LEU 58 HB3 LEU 58 -4.197 -25.736 11.890 465 HG LEU 58 HG LEU 58 -3.487 -28.265 12.147 466 HD11 LEU 58 HD11 LEU 58 -4.722 -28.179 9.418 467 HD12 LEU 58 HD12 LEU 58 -3.431 -29.365 9.814 468 HD13 LEU 58 HD13 LEU 58 -4.927 -29.385 10.725 469 HD21 LEU 58 HD23 LEU 58 -2.751 -26.185 10.098 470 HD22 LEU 58 HD21 LEU 58 -1.818 -26.786 11.473 471 HD23 LEU 58 HD22 LEU 58 -1.940 -27.755 9.981 472 H LYS 59 H LYS 59 -7.966 -26.350 11.894 473 HA LYS 59 HA LYS 59 -8.347 -23.724 12.690 474 HB2 LYS 59 HB2 LYS 59 -10.194 -25.981 12.254 475 HB3 LYS 59 HB3 LYS 59 -10.861 -24.700 13.234 476 HG2 LYS 59 HG2 LYS 59 -9.397 -23.701 10.831 477 HG3 LYS 59 HG3 LYS 59 -10.781 -24.694 10.472 478 HD2 LYS 59 HD2 LYS 59 -11.139 -22.173 10.583 479 HD3 LYS 59 HD3 LYS 59 -12.313 -23.220 11.359 480 HE2 LYS 59 HE2 LYS 59 -11.867 -21.170 12.625 481 HE3 LYS 59 HE3 LYS 59 -11.563 -22.625 13.568 482 HZ1 LYS 59 HZ3 LYS 59 -9.340 -22.159 13.656 483 HZ2 LYS 59 HZ1 LYS 59 -9.285 -21.331 12.208 484 HZ3 LYS 59 HZ2 LYS 59 -9.893 -20.647 13.551 485 H ALA 60 H ALA 60 -8.444 -26.432 14.841 486 HA ALA 60 HA ALA 60 -8.680 -24.562 17.186 487 HB1 ALA 60 HB3 ALA 60 -10.250 -26.469 17.190 488 HB2 ALA 60 HB1 ALA 60 -8.887 -27.601 17.041 489 HB3 ALA 60 HB2 ALA 60 -9.064 -26.608 18.503 490 H LEU 61 H LEU 61 -6.493 -26.754 15.473 491 HA LEU 61 HA LEU 61 -4.542 -26.686 17.667 492 HB2 LEU 61 HB2 LEU 61 -5.494 -28.738 15.982 493 HB3 LEU 61 HB3 LEU 61 -3.865 -28.455 15.441 494 HG LEU 61 HG LEU 61 -3.118 -28.622 17.887 495 HD11 LEU 61 HD11 LEU 61 -5.939 -29.737 18.260 496 HD12 LEU 61 HD12 LEU 61 -4.628 -29.772 19.459 497 HD13 LEU 61 HD13 LEU 61 -5.336 -28.229 18.971 498 HD21 LEU 61 HD23 LEU 61 -4.494 -31.047 16.652 499 HD22 LEU 61 HD21 LEU 61 -2.823 -30.509 16.375 500 HD23 LEU 61 HD22 LEU 61 -3.295 -31.098 17.968 501 H GLY 62 H GLY 62 -4.563 -24.304 16.804 502 HA2 GLY 62 HA2 GLY 62 -2.013 -23.946 15.243 503 HA3 GLY 62 HA3 GLY 62 -3.240 -22.707 15.477 504 HA PRO 63 HA PRO 63 -0.922 -22.683 19.667 505 HB2 PRO 63 HB2 PRO 63 0.522 -24.726 20.652 506 HB3 PRO 63 HB3 PRO 63 -1.254 -24.872 20.532 507 HG2 PRO 63 HG2 PRO 63 0.807 -25.844 18.513 508 HG3 PRO 63 HG3 PRO 63 -0.489 -26.807 19.298 509 HD2 PRO 63 HD2 PRO 63 -0.811 -25.623 16.850 510 HD3 PRO 63 HD3 PRO 63 -2.150 -25.789 18.037 511 H ALA 64 H ALA 64 0.068 -21.909 17.174 512 HA ALA 64 HA ALA 64 1.791 -21.029 16.044 513 HB1 ALA 64 HB3 ALA 64 1.619 -19.685 18.102 514 HB2 ALA 64 HB1 ALA 64 2.906 -20.672 18.840 515 HB3 ALA 64 HB2 ALA 64 3.256 -19.673 17.417 516 H ALA 65 H ALA 65 2.669 -24.034 17.292 517 HA ALA 65 HA ALA 65 5.041 -23.999 15.433 518 HB1 ALA 65 HB3 ALA 65 5.881 -23.775 17.735 519 HB2 ALA 65 HB1 ALA 65 4.992 -25.239 18.223 520 HB3 ALA 65 HB2 ALA 65 6.311 -25.341 17.029 521 H THR 66 H THR 66 2.821 -26.273 17.247 522 HA THR 66 HA THR 66 3.347 -28.496 15.694 523 HB THR 66 HB THR 66 0.546 -27.843 16.656 524 HG1 THR 66 HG1 THR 66 2.538 -29.030 18.211 525 HG21 THR 66 HG23 THR 66 0.739 -30.034 15.552 526 HG22 THR 66 HG21 THR 66 2.157 -30.436 16.522 527 HG23 THR 66 HG22 THR 66 0.558 -30.268 17.292 528 H LEU 67 H LEU 67 1.758 -25.693 14.424 529 HA LEU 67 HA LEU 67 0.178 -26.809 12.346 530 HB2 LEU 67 HB2 LEU 67 0.414 -24.512 13.136 531 HB3 LEU 67 HB3 LEU 67 1.950 -24.369 12.313 532 HG LEU 67 HG LEU 67 -0.880 -24.364 11.147 533 HD11 LEU 67 HD11 LEU 67 1.702 -22.865 10.509 534 HD12 LEU 67 HD12 LEU 67 0.019 -22.376 10.139 535 HD13 LEU 67 HD13 LEU 67 0.595 -22.346 11.797 536 HD21 LEU 67 HD23 LEU 67 1.526 -25.207 9.563 537 HD22 LEU 67 HD21 LEU 67 0.007 -26.103 9.885 538 HD23 LEU 67 HD22 LEU 67 -0.009 -24.613 8.904 539 H GLU 68 H GLU 68 3.684 -26.023 12.364 540 HA GLU 68 HA GLU 68 4.360 -26.678 9.776 541 HB2 GLU 68 HB2 GLU 68 5.924 -27.568 12.283 542 HB3 GLU 68 HB3 GLU 68 6.627 -27.266 10.685 543 HG2 GLU 68 HG2 GLU 68 6.140 -24.875 10.941 544 HG3 GLU 68 HG3 GLU 68 5.290 -25.188 12.442 545 H GLU 69 H GLU 69 3.827 -29.049 12.371 546 HA GLU 69 HA GLU 69 4.387 -31.308 10.528 547 HB2 GLU 69 HB2 GLU 69 3.627 -32.802 12.224 548 HB3 GLU 69 HB3 GLU 69 4.782 -31.646 12.895 549 HG2 GLU 69 HG2 GLU 69 3.201 -30.554 14.179 550 HG3 GLU 69 HG3 GLU 69 1.832 -31.129 13.231 551 H MET 70 H MET 70 1.542 -29.593 11.740 552 HA MET 70 HA MET 70 -0.471 -31.444 10.900 553 HB2 MET 70 HB2 MET 70 -0.508 -28.544 11.383 554 HB3 MET 70 HB3 MET 70 -1.931 -29.614 11.202 555 HG2 MET 70 HG2 MET 70 -0.058 -30.310 13.303 556 HG3 MET 70 HG3 MET 70 -0.954 -28.780 13.473 557 HE1 MET 70 HE3 MET 70 -1.015 -32.653 13.253 558 HE2 MET 70 HE1 MET 70 -0.938 -32.054 14.919 559 HE3 MET 70 HE2 MET 70 -2.354 -32.976 14.381 560 H MET 71 H MET 71 1.062 -28.886 9.245 561 HA MET 71 HA MET 71 -0.607 -28.585 6.889 562 HB2 MET 71 HB2 MET 71 0.818 -26.784 7.278 563 HB3 MET 71 HB3 MET 71 2.217 -27.774 7.671 564 HG2 MET 71 HG2 MET 71 1.093 -27.877 4.879 565 HG3 MET 71 HG3 MET 71 2.037 -26.478 5.295 566 HE1 MET 71 HE3 MET 71 3.016 -28.965 2.944 567 HE2 MET 71 HE1 MET 71 3.342 -27.223 3.180 568 HE3 MET 71 HE2 MET 71 4.672 -28.383 3.223 569 H THR 72 H THR 72 2.417 -30.423 7.411 570 HA THR 72 HA THR 72 2.185 -31.981 4.952 571 HB THR 72 HB THR 72 3.581 -32.602 7.567 572 HG1 THR 72 HG1 THR 72 4.493 -30.687 6.921 573 HG21 THR 72 HG23 THR 72 3.771 -34.555 6.149 574 HG22 THR 72 HG21 THR 72 4.193 -33.557 4.737 575 HG23 THR 72 HG22 THR 72 5.328 -33.727 6.094 576 H ALA 73 H ALA 73 1.100 -32.539 8.326 577 HA ALA 73 HA ALA 73 1.052 -35.320 8.323 578 HB1 ALA 73 HB3 ALA 73 0.723 -33.920 10.333 579 HB2 ALA 73 HB1 ALA 73 -0.876 -33.414 9.733 580 HB3 ALA 73 HB2 ALA 73 -0.575 -35.108 10.174 581 H CYS 74 H CYS 74 -1.335 -33.088 7.015 582 HA CYS 74 HA CYS 74 -3.285 -35.223 6.521 583 HB2 CYS 74 HB2 CYS 74 -4.644 -33.555 5.558 584 HB3 CYS 74 HB3 CYS 74 -3.805 -32.837 6.947 585 HG CYS 74 HG CYS 74 -3.168 -32.579 3.662 586 H GLN 75 H GLN 75 -0.522 -34.027 4.537 587 HA GLN 75 HA GLN 75 -1.678 -35.337 2.170 588 HB2 GLN 75 HB2 GLN 75 -0.110 -34.284 0.935 589 HB3 GLN 75 HB3 GLN 75 -0.342 -33.114 2.252 590 HG2 GLN 75 HG2 GLN 75 1.673 -33.729 3.300 591 HG3 GLN 75 HG3 GLN 75 1.981 -35.071 2.177 592 HE21 GLN 75 HE22 GLN 75 1.955 -34.327 -0.312 593 HE22 GLN 75 HE21 GLN 75 2.695 -32.746 -0.580 594 H GLY 76 H GLY 76 0.164 -36.318 4.846 595 HA2 GLY 76 HA2 GLY 76 1.233 -38.753 3.496 596 HA3 GLY 76 HA3 GLY 76 1.603 -38.198 5.130 597 H VAL 77 H VAL 77 -1.745 -37.970 4.589 598 HA VAL 77 HA VAL 77 -2.382 -39.739 6.661 599 HB VAL 77 HB VAL 77 -3.721 -37.810 5.837 600 HG11 VAL 77 HG11 VAL 77 -4.839 -39.751 3.763 601 HG12 VAL 77 HG12 VAL 77 -5.389 -38.100 4.094 602 HG13 VAL 77 HG13 VAL 77 -3.780 -38.365 3.407 603 HG21 VAL 77 HG23 VAL 77 -5.359 -40.346 6.158 604 HG22 VAL 77 HG21 VAL 77 -4.635 -39.407 7.482 605 HG23 VAL 77 HG22 VAL 77 -5.884 -38.679 6.455 606 H GLY 78 H GLY 78 -2.023 -40.572 3.293 607 HA2 GLY 78 HA2 GLY 78 -1.489 -42.882 2.748 608 HA3 GLY 78 HA3 GLY 78 -2.629 -43.425 3.972 609 H GLY 79 H GLY 79 -3.268 -44.789 2.073 610 HA2 GLY 79 HA2 GLY 79 -5.807 -44.224 1.168 611 HA3 GLY 79 HA3 GLY 79 -4.758 -43.625 -0.123 612 HA PRO 80 HA PRO 80 -5.383 -48.298 -0.509 613 HB2 PRO 80 HB2 PRO 80 -7.055 -48.457 -2.659 614 HB3 PRO 80 HB3 PRO 80 -7.653 -48.168 -0.998 615 HG2 PRO 80 HG2 PRO 80 -7.104 -46.104 -3.159 616 HG3 PRO 80 HG3 PRO 80 -8.579 -46.284 -2.155 617 HD2 PRO 80 HD2 PRO 80 -6.594 -44.517 -1.517 618 HD3 PRO 80 HD3 PRO 80 -7.505 -45.397 -0.252 619 H GLY 81 H GLY 81 -4.482 -45.730 -2.713 620 HA2 GLY 81 HA2 GLY 81 -2.104 -46.644 -3.661 621 HA3 GLY 81 HA3 GLY 81 -3.231 -47.505 -4.703 622 H HIS 82 H HIS 82 -1.239 -45.174 -4.914 623 HA HIS 82 HA HIS 82 -2.370 -42.793 -5.815 624 HB2 HIS 82 HB2 HIS 82 -0.173 -42.842 -7.265 625 HB3 HIS 82 HB3 HIS 82 -0.084 -42.824 -5.508 626 HD2 HIS 82 HD2 HIS 82 -0.168 -45.651 -8.226 627 HE1 HIS 82 HE1 HIS 82 2.282 -46.962 -4.996 628 HE2 HIS 82 HE2 HIS 82 1.423 -47.556 -7.320 629 H LYS 83 H LYS 83 -2.832 -45.804 -7.434 630 HA LYS 83 HA LYS 83 -3.389 -44.450 -10.014 631 HB2 LYS 83 HB2 LYS 83 -3.396 -46.519 -11.042 632 HB3 LYS 83 HB3 LYS 83 -2.078 -46.594 -9.894 633 HG2 LYS 83 HG2 LYS 83 -2.942 -48.358 -8.803 634 HG3 LYS 83 HG3 LYS 83 -4.545 -47.652 -8.672 635 HD2 LYS 83 HD2 LYS 83 -3.456 -49.031 -11.165 636 HD3 LYS 83 HD3 LYS 83 -4.509 -49.786 -9.954 637 HE2 LYS 83 HE2 LYS 83 -6.285 -48.135 -10.411 638 HE3 LYS 83 HE3 LYS 83 -5.256 -47.299 -11.565 639 HZ1 LYS 83 HZ3 LYS 83 -5.255 -49.289 -12.948 640 HZ2 LYS 83 HZ1 LYS 83 -6.214 -50.087 -11.871 641 HZ3 LYS 83 HZ2 LYS 83 -6.791 -48.780 -12.682 642 H ALA 84 H ALA 84 -5.155 -44.675 -7.283 643 HA ALA 84 HA ALA 84 -7.774 -45.277 -8.474 644 HB1 ALA 84 HB3 ALA 84 -7.327 -45.737 -6.086 645 HB2 ALA 84 HB1 ALA 84 -6.945 -44.023 -5.817 646 HB3 ALA 84 HB2 ALA 84 -8.593 -44.502 -6.268 647 H ARG 85 H ARG 85 -8.797 -43.829 -9.781 648 HA ARG 85 HA ARG 85 -7.934 -41.075 -10.042 649 HB2 ARG 85 HB2 ARG 85 -9.700 -40.771 -11.602 650 HB3 ARG 85 HB3 ARG 85 -8.994 -42.348 -11.877 651 HG2 ARG 85 HG2 ARG 85 -11.193 -42.871 -12.116 652 HG3 ARG 85 HG3 ARG 85 -11.027 -43.220 -10.395 653 HD2 ARG 85 HD2 ARG 85 -12.043 -41.037 -9.846 654 HD3 ARG 85 HD3 ARG 85 -12.072 -40.571 -11.537 655 HE ARG 85 HE ARG 85 -13.892 -42.327 -10.085 656 HH11 ARG 85 HH11 ARG 85 -12.963 -41.255 -13.263 657 HH12 ARG 85 HH12 ARG 85 -14.387 -41.901 -14.036 658 HH21 ARG 85 HH21 ARG 85 -15.751 -43.047 -11.087 659 HH22 ARG 85 HH22 ARG 85 -15.963 -42.852 -12.802 660 H VAL 86 H VAL 86 -8.595 -39.254 -9.127 661 HA VAL 86 HA VAL 86 -10.471 -39.286 -6.855 662 HB VAL 86 HB VAL 86 -9.926 -36.901 -6.640 663 HG11 VAL 86 HG11 VAL 86 -7.431 -38.624 -6.896 664 HG12 VAL 86 HG12 VAL 86 -7.627 -37.151 -5.922 665 HG13 VAL 86 HG13 VAL 86 -8.547 -38.606 -5.516 666 HG21 VAL 86 HG23 VAL 86 -7.979 -37.271 -8.962 667 HG22 VAL 86 HG21 VAL 86 -9.500 -36.349 -9.036 668 HG23 VAL 86 HG22 VAL 86 -8.205 -35.823 -7.959 669 H LEU 87 H LEU 87 -11.933 -37.133 -6.892 670 HA LEU 87 HA LEU 87 -13.369 -36.648 -9.328 671 HB2 LEU 87 HB2 LEU 87 -15.532 -37.374 -8.507 672 HB3 LEU 87 HB3 LEU 87 -14.459 -38.731 -8.756 673 HG LEU 87 HG LEU 87 -15.968 -39.002 -6.879 674 HD11 LEU 87 HD11 LEU 87 -13.166 -38.840 -5.763 675 HD12 LEU 87 HD12 LEU 87 -14.486 -39.902 -5.261 676 HD13 LEU 87 HD13 LEU 87 -13.730 -40.124 -6.856 677 HD21 LEU 87 HD23 LEU 87 -14.480 -36.837 -5.374 678 HD22 LEU 87 HD21 LEU 87 -16.066 -36.621 -6.124 679 HD23 LEU 87 HD22 LEU 87 -15.858 -37.806 -4.814 Start of MODEL 27 1 H1 MET 1 H1 MET 1 -0.652 -2.134 -3.135 2 H2 MET 1 H2 MET 1 -0.317 -3.141 -4.373 3 H3 MET 1 H3 MET 1 0.046 -1.536 -4.509 4 HA MET 1 HA MET 1 2.045 -2.836 -4.093 5 HB2 MET 1 HB2 MET 1 1.228 -1.118 -1.709 6 HB3 MET 1 HB3 MET 1 2.877 -1.611 -2.125 7 HG2 MET 1 HG2 MET 1 2.570 -0.465 -4.358 8 HG3 MET 1 HG3 MET 1 1.076 0.235 -3.726 9 HE1 MET 1 HE3 MET 1 0.985 2.042 -1.747 10 HE2 MET 1 HE1 MET 1 1.860 0.957 -0.631 11 HE3 MET 1 HE2 MET 1 2.425 2.618 -0.885 12 H SER 2 H SER 2 3.253 -3.730 -1.910 13 HA SER 2 HA SER 2 1.662 -5.080 0.054 14 HB2 SER 2 HB2 SER 2 3.079 -6.684 -2.130 15 HB3 SER 2 HB3 SER 2 2.814 -7.353 -0.521 16 HG SER 2 HG SER 2 0.610 -6.236 -1.839 17 HA PRO 3 HA PRO 3 5.811 -4.684 1.952 18 HB2 PRO 3 HB2 PRO 3 5.845 -6.749 3.741 19 HB3 PRO 3 HB3 PRO 3 4.806 -5.313 3.974 20 HG2 PRO 3 HG2 PRO 3 4.017 -7.970 2.700 21 HG3 PRO 3 HG3 PRO 3 3.184 -7.125 4.039 22 HD2 PRO 3 HD2 PRO 3 2.315 -6.823 1.548 23 HD3 PRO 3 HD3 PRO 3 2.422 -5.400 2.626 24 H THR 4 H THR 4 7.910 -5.980 2.020 25 HA THR 4 HA THR 4 8.222 -7.758 -0.257 26 HB THR 4 HB THR 4 10.197 -7.302 2.013 27 HG1 THR 4 HG1 THR 4 11.061 -5.812 0.491 28 HG21 THR 4 HG23 THR 4 10.796 -9.217 0.573 29 HG22 THR 4 HG21 THR 4 10.562 -8.219 -0.878 30 HG23 THR 4 HG22 THR 4 11.878 -7.858 0.265 31 H SER 5 H SER 5 8.962 -8.475 3.231 32 HA SER 5 HA SER 5 8.415 -11.300 2.898 33 HB2 SER 5 HB2 SER 5 8.468 -9.767 5.512 34 HB3 SER 5 HB3 SER 5 8.810 -11.481 5.238 35 HG SER 5 HG SER 5 10.680 -10.825 4.014 36 H ILE 6 H ILE 6 6.617 -12.448 3.978 37 HA ILE 6 HA ILE 6 4.126 -11.012 3.506 38 HB ILE 6 HB ILE 6 3.013 -12.970 3.465 39 HG12 ILE 6 HG12 ILE 6 4.066 -15.136 4.562 40 HG13 ILE 6 HG13 ILE 6 4.796 -14.038 5.665 41 HG21 ILE 6 HG21 ILE 6 5.800 -14.071 3.095 42 HG22 ILE 6 HG22 ILE 6 4.298 -14.618 2.311 43 HG23 ILE 6 HG23 ILE 6 4.993 -13.033 1.897 44 HD11 ILE 6 HD13 ILE 6 2.501 -13.237 6.340 45 HD12 ILE 6 HD11 ILE 6 1.774 -14.303 5.127 46 HD13 ILE 6 HD12 ILE 6 2.661 -14.995 6.508 47 H LEU 7 H LEU 7 5.811 -12.145 6.328 48 HA LEU 7 HA LEU 7 3.820 -12.146 8.221 49 HB2 LEU 7 HB2 LEU 7 5.687 -12.136 9.894 50 HB3 LEU 7 HB3 LEU 7 5.768 -13.314 8.600 51 HG LEU 7 HG LEU 7 7.495 -11.981 7.432 52 HD11 LEU 7 HD11 LEU 7 7.349 -10.188 9.892 53 HD12 LEU 7 HD12 LEU 7 8.651 -10.159 8.674 54 HD13 LEU 7 HD13 LEU 7 7.003 -9.724 8.213 55 HD21 LEU 7 HD23 LEU 7 8.152 -12.600 10.344 56 HD22 LEU 7 HD21 LEU 7 8.122 -13.770 8.997 57 HD23 LEU 7 HD22 LEU 7 9.309 -12.464 8.996 58 H ASP 8 H ASP 8 4.069 -9.486 6.797 59 HA ASP 8 HA ASP 8 3.549 -7.544 9.006 60 HB2 ASP 8 HB2 ASP 8 5.079 -6.855 7.255 61 HB3 ASP 8 HB3 ASP 8 4.006 -7.411 6.003 62 H ILE 9 H ILE 9 2.033 -9.436 6.373 63 HA ILE 9 HA ILE 9 -0.516 -8.033 6.532 64 HB ILE 9 HB ILE 9 -1.429 -9.550 5.064 65 HG12 ILE 9 HG12 ILE 9 0.925 -11.421 4.927 66 HG13 ILE 9 HG13 ILE 9 -0.284 -11.680 6.168 67 HG21 ILE 9 HG21 ILE 9 1.437 -9.171 4.140 68 HG22 ILE 9 HG22 ILE 9 0.001 -9.391 3.119 69 HG23 ILE 9 HG23 ILE 9 0.175 -7.927 4.114 70 HD11 ILE 9 HD13 ILE 9 -2.066 -11.751 4.460 71 HD12 ILE 9 HD11 ILE 9 -0.860 -11.523 3.176 72 HD13 ILE 9 HD12 ILE 9 -0.825 -12.990 4.177 73 H ARG 10 H ARG 10 -2.538 -9.152 7.077 74 HA ARG 10 HA ARG 10 -2.655 -10.276 9.657 75 HB2 ARG 10 HB2 ARG 10 -4.949 -10.929 9.145 76 HB3 ARG 10 HB3 ARG 10 -4.604 -9.306 8.569 77 HG2 ARG 10 HG2 ARG 10 -5.817 -10.137 6.808 78 HG3 ARG 10 HG3 ARG 10 -4.194 -10.449 6.241 79 HD2 ARG 10 HD2 ARG 10 -4.619 -12.632 6.016 80 HD3 ARG 10 HD3 ARG 10 -5.011 -12.787 7.712 81 HE ARG 10 HE ARG 10 -7.348 -12.049 7.178 82 HH11 ARG 10 HH11 ARG 10 -5.511 -13.647 4.641 83 HH12 ARG 10 HH12 ARG 10 -6.950 -14.206 3.837 84 HH21 ARG 10 HH21 ARG 10 -9.120 -12.889 6.167 85 HH22 ARG 10 HH22 ARG 10 -8.939 -13.864 4.746 86 H GLN 11 H GLN 11 -2.184 -12.168 10.494 87 HA GLN 11 HA GLN 11 -1.859 -14.549 8.820 88 HB2 GLN 11 HB2 GLN 11 -1.167 -15.735 10.741 89 HB3 GLN 11 HB3 GLN 11 -0.322 -14.184 10.712 90 HG2 GLN 11 HG2 GLN 11 -2.018 -13.307 12.344 91 HG3 GLN 11 HG3 GLN 11 -2.752 -14.905 12.430 92 HE21 GLN 11 HE22 GLN 11 0.829 -14.463 12.320 93 HE22 GLN 11 HE21 GLN 11 1.004 -14.988 13.998 94 H GLY 12 H GLY 12 -3.117 -16.263 8.983 95 HA2 GLY 12 HA2 GLY 12 -5.227 -17.204 10.297 96 HA3 GLY 12 HA3 GLY 12 -6.027 -15.791 9.582 97 HA PRO 13 HA PRO 13 -5.017 -18.651 5.804 98 HB2 PRO 13 HB2 PRO 13 -3.686 -20.990 6.152 99 HB3 PRO 13 HB3 PRO 13 -2.832 -19.410 6.219 100 HG2 PRO 13 HG2 PRO 13 -3.953 -20.956 8.611 101 HG3 PRO 13 HG3 PRO 13 -2.269 -20.466 8.365 102 HD2 PRO 13 HD2 PRO 13 -3.909 -18.929 9.766 103 HD3 PRO 13 HD3 PRO 13 -2.822 -18.161 8.569 104 H LYS 14 H LYS 14 -5.983 -20.177 8.742 105 HA LYS 14 HA LYS 14 -6.798 -22.685 8.283 106 HB2 LYS 14 HB2 LYS 14 -8.337 -22.500 10.164 107 HB3 LYS 14 HB3 LYS 14 -6.813 -21.666 10.461 108 HG2 LYS 14 HG2 LYS 14 -8.029 -19.483 9.832 109 HG3 LYS 14 HG3 LYS 14 -9.531 -20.428 9.837 110 HD2 LYS 14 HD2 LYS 14 -9.083 -21.073 12.212 111 HD3 LYS 14 HD3 LYS 14 -7.604 -20.091 12.176 112 HE2 LYS 14 HE2 LYS 14 -9.051 -18.092 11.551 113 HE3 LYS 14 HE3 LYS 14 -10.471 -19.110 11.818 114 HZ1 LYS 14 HZ3 LYS 14 -9.675 -19.446 14.117 115 HZ2 LYS 14 HZ1 LYS 14 -8.413 -18.424 13.858 116 HZ3 LYS 14 HZ2 LYS 14 -9.958 -17.860 13.818 117 H GLU 15 H GLU 15 -8.849 -20.036 7.294 118 HA GLU 15 HA GLU 15 -10.839 -21.921 6.161 119 HB2 GLU 15 HB2 GLU 15 -11.697 -20.552 7.903 120 HB3 GLU 15 HB3 GLU 15 -11.007 -19.088 7.269 121 HG2 GLU 15 HG2 GLU 15 -13.214 -20.715 5.992 122 HG3 GLU 15 HG3 GLU 15 -13.439 -19.276 6.985 123 HA PRO 16 HA PRO 16 -10.172 -18.945 2.610 124 HB2 PRO 16 HB2 PRO 16 -8.584 -16.741 2.605 125 HB3 PRO 16 HB3 PRO 16 -10.078 -16.811 3.573 126 HG2 PRO 16 HG2 PRO 16 -7.247 -17.466 4.501 127 HG3 PRO 16 HG3 PRO 16 -8.377 -16.258 5.202 128 HD2 PRO 16 HD2 PRO 16 -8.228 -18.748 6.195 129 HD3 PRO 16 HD3 PRO 16 -9.795 -17.912 6.033 130 H PHE 17 H PHE 17 -8.458 -21.247 3.086 131 HA PHE 17 HA PHE 17 -5.807 -21.159 2.668 132 HB2 PHE 17 HB2 PHE 17 -7.791 -23.189 2.028 133 HB3 PHE 17 HB3 PHE 17 -6.563 -23.174 0.800 134 HD1 PHE 17 HD1 PHE 17 -6.516 -22.678 4.512 135 HD2 PHE 17 HD2 PHE 17 -5.030 -25.126 1.277 136 HE1 PHE 17 HE1 PHE 17 -4.868 -23.723 6.040 137 HE2 PHE 17 HE2 PHE 17 -3.451 -26.207 2.849 138 HZ PHE 17 HZ PHE 17 -3.328 -25.435 5.219 139 H ARG 18 H ARG 18 -7.946 -21.130 -0.148 140 HA ARG 18 HA ARG 18 -6.013 -20.711 -2.216 141 HB2 ARG 18 HB2 ARG 18 -8.502 -19.567 -3.030 142 HB3 ARG 18 HB3 ARG 18 -7.757 -21.073 -3.470 143 HG2 ARG 18 HG2 ARG 18 -9.923 -21.659 -2.818 144 HG3 ARG 18 HG3 ARG 18 -8.909 -22.177 -1.492 145 HD2 ARG 18 HD2 ARG 18 -10.669 -21.150 -0.350 146 HD3 ARG 18 HD3 ARG 18 -9.528 -19.793 -0.462 147 HE ARG 18 HE ARG 18 -11.185 -19.781 -2.777 148 HH11 ARG 18 HH11 ARG 18 -11.372 -18.849 0.639 149 HH12 ARG 18 HH12 ARG 18 -12.234 -17.413 0.171 150 HH21 ARG 18 HH21 ARG 18 -12.354 -18.020 -3.111 151 HH22 ARG 18 HH22 ARG 18 -12.476 -16.920 -1.838 152 H ASP 19 H ASP 19 -8.115 -18.500 -0.616 153 HA ASP 19 HA ASP 19 -7.253 -16.082 -1.979 154 HB2 ASP 19 HB2 ASP 19 -9.030 -16.491 0.451 155 HB3 ASP 19 HB3 ASP 19 -8.719 -14.920 -0.286 156 H TYR 20 H TYR 20 -5.857 -17.834 0.443 157 HA TYR 20 HA TYR 20 -4.087 -15.572 1.265 158 HB2 TYR 20 HB2 TYR 20 -5.441 -17.049 2.932 159 HB3 TYR 20 HB3 TYR 20 -4.224 -18.268 2.622 160 HD1 TYR 20 HD1 TYR 20 -1.674 -16.773 2.598 161 HD2 TYR 20 HD2 TYR 20 -5.166 -16.180 5.063 162 HE1 TYR 20 HE1 TYR 20 -0.262 -15.823 4.356 163 HE2 TYR 20 HE2 TYR 20 -3.703 -15.202 6.834 164 HH TYR 20 HH TYR 20 -0.146 -15.053 6.468 165 H VAL 21 H VAL 21 -3.971 -18.998 0.039 166 HA VAL 21 HA VAL 21 -1.176 -19.235 0.087 167 HB VAL 21 HB VAL 21 -2.833 -21.129 -0.172 168 HG11 VAL 21 HG11 VAL 21 -2.639 -20.798 -3.156 169 HG12 VAL 21 HG12 VAL 21 -3.671 -21.879 -2.185 170 HG13 VAL 21 HG13 VAL 21 -3.988 -20.145 -2.220 171 HG21 VAL 21 HG23 VAL 21 -0.509 -21.233 -2.076 172 HG22 VAL 21 HG21 VAL 21 -0.445 -21.523 -0.326 173 HG23 VAL 21 HG22 VAL 21 -1.415 -22.582 -1.349 174 H ASP 22 H ASP 22 -3.143 -18.144 -2.666 175 HA ASP 22 HA ASP 22 -1.071 -17.788 -4.574 176 HB2 ASP 22 HB2 ASP 22 -3.500 -17.463 -4.909 177 HB3 ASP 22 HB3 ASP 22 -3.494 -16.109 -3.894 178 H ARG 23 H ARG 23 -2.461 -15.527 -2.546 179 HA ARG 23 HA ARG 23 -0.726 -13.354 -2.729 180 HB2 ARG 23 HB2 ARG 23 -2.009 -13.536 -0.062 181 HB3 ARG 23 HB3 ARG 23 -2.084 -12.278 -1.279 182 HG2 ARG 23 HG2 ARG 23 -3.702 -14.829 -1.112 183 HG3 ARG 23 HG3 ARG 23 -4.271 -13.199 -0.756 184 HD2 ARG 23 HD2 ARG 23 -3.139 -13.696 -3.476 185 HD3 ARG 23 HD3 ARG 23 -4.695 -14.459 -3.093 186 HE ARG 23 HE ARG 23 -4.934 -11.816 -2.337 187 HH11 ARG 23 HH11 ARG 23 -3.868 -13.313 -5.375 188 HH12 ARG 23 HH12 ARG 23 -4.861 -12.291 -6.356 189 HH21 ARG 23 HH21 ARG 23 -6.206 -10.492 -3.729 190 HH22 ARG 23 HH22 ARG 23 -6.009 -10.631 -5.453 191 H PHE 24 H PHE 24 -0.441 -16.075 -0.479 192 HA PHE 24 HA PHE 24 1.743 -14.991 1.044 193 HB2 PHE 24 HB2 PHE 24 0.328 -16.865 1.760 194 HB3 PHE 24 HB3 PHE 24 0.917 -17.863 0.439 195 HD1 PHE 24 HD1 PHE 24 3.372 -18.556 0.396 196 HD2 PHE 24 HD2 PHE 24 1.530 -16.718 3.821 197 HE1 PHE 24 HE1 PHE 24 5.413 -18.926 1.688 198 HE2 PHE 24 HE2 PHE 24 3.513 -17.259 5.160 199 HZ PHE 24 HZ PHE 24 5.519 -18.329 4.079 200 H TYR 25 H TYR 25 1.874 -17.583 -1.480 201 HA TYR 25 HA TYR 25 4.741 -17.455 -1.497 202 HB2 TYR 25 HB2 TYR 25 2.783 -18.816 -3.337 203 HB3 TYR 25 HB3 TYR 25 4.505 -18.888 -3.594 204 HD1 TYR 25 HD2 TYR 25 6.036 -20.212 -1.959 205 HD2 TYR 25 HD1 TYR 25 1.734 -20.190 -1.531 206 HE1 TYR 25 HE2 TYR 25 6.045 -22.626 -1.242 207 HE2 TYR 25 HE1 TYR 25 1.823 -22.474 -0.608 208 HH TYR 25 HH TYR 25 3.524 -24.238 0.312 209 H LYS 26 H LYS 26 2.363 -15.707 -3.457 210 HA LYS 26 HA LYS 26 3.791 -14.569 -5.523 211 HB2 LYS 26 HB2 LYS 26 1.499 -14.078 -5.130 212 HB3 LYS 26 HB3 LYS 26 1.806 -13.381 -3.549 213 HG2 LYS 26 HG2 LYS 26 2.899 -12.131 -6.079 214 HG3 LYS 26 HG3 LYS 26 1.244 -11.849 -5.576 215 HD2 LYS 26 HD2 LYS 26 3.612 -11.160 -3.778 216 HD3 LYS 26 HD3 LYS 26 2.946 -10.079 -4.976 217 HE2 LYS 26 HE2 LYS 26 1.737 -9.307 -3.268 218 HE3 LYS 26 HE3 LYS 26 0.651 -10.633 -3.691 219 HZ1 LYS 26 HZ3 LYS 26 1.664 -11.938 -1.894 220 HZ2 LYS 26 HZ1 LYS 26 2.780 -10.808 -1.578 221 HZ3 LYS 26 HZ2 LYS 26 1.194 -10.516 -1.289 222 H THR 27 H THR 27 4.148 -13.666 -2.112 223 HA THR 27 HA THR 27 6.352 -11.770 -2.798 224 HB THR 27 HB THR 27 6.004 -11.476 -0.083 225 HG1 THR 27 HG1 THR 27 4.168 -12.164 0.461 226 HG21 THR 27 HG23 THR 27 6.162 -9.583 -1.508 227 HG22 THR 27 HG21 THR 27 4.645 -9.965 -2.338 228 HG23 THR 27 HG22 THR 27 4.638 -9.444 -0.636 229 H LEU 28 H LEU 28 5.557 -14.280 -0.422 230 HA LEU 28 HA LEU 28 7.896 -14.494 0.946 231 HB2 LEU 28 HB2 LEU 28 5.955 -15.825 1.437 232 HB3 LEU 28 HB3 LEU 28 6.231 -16.832 0.044 233 HG LEU 28 HG LEU 28 6.943 -17.620 2.384 234 HD11 LEU 28 HD11 LEU 28 9.041 -17.929 0.242 235 HD12 LEU 28 HD12 LEU 28 8.635 -19.044 1.546 236 HD13 LEU 28 HD13 LEU 28 7.485 -18.764 0.234 237 HD21 LEU 28 HD23 LEU 28 9.420 -16.023 2.045 238 HD22 LEU 28 HD21 LEU 28 8.088 -15.647 3.158 239 HD23 LEU 28 HD22 LEU 28 8.998 -17.152 3.309 240 H ARG 29 H ARG 29 7.444 -15.969 -2.173 241 HA ARG 29 HA ARG 29 9.359 -17.869 -2.331 242 HB2 ARG 29 HB2 ARG 29 9.167 -17.637 -4.812 243 HB3 ARG 29 HB3 ARG 29 7.657 -17.650 -3.924 244 HG2 ARG 29 HG2 ARG 29 7.347 -15.984 -5.499 245 HG3 ARG 29 HG3 ARG 29 7.672 -15.095 -4.020 246 HD2 ARG 29 HD2 ARG 29 10.023 -14.734 -4.764 247 HD3 ARG 29 HD3 ARG 29 9.657 -15.541 -6.289 248 HE ARG 29 HE ARG 29 8.965 -12.847 -5.436 249 HH11 ARG 29 HH11 ARG 29 7.862 -15.364 -7.535 250 HH12 ARG 29 HH12 ARG 29 6.863 -14.312 -8.516 251 HH21 ARG 29 HH21 ARG 29 7.556 -11.539 -6.570 252 HH22 ARG 29 HH22 ARG 29 6.615 -12.191 -7.873 253 H ALA 30 H ALA 30 10.633 -14.864 -1.798 254 HA ALA 30 HA ALA 30 13.182 -15.452 -3.245 255 HB1 ALA 30 HB3 ALA 30 12.404 -13.117 -3.413 256 HB2 ALA 30 HB1 ALA 30 12.269 -13.014 -1.646 257 HB3 ALA 30 HB2 ALA 30 13.863 -13.218 -2.400 258 H GLU 31 H GLU 31 12.023 -14.505 0.081 259 HA GLU 31 HA GLU 31 14.183 -15.873 1.448 260 HB2 GLU 31 HB2 GLU 31 11.402 -15.139 2.479 261 HB3 GLU 31 HB3 GLU 31 12.792 -15.627 3.431 262 HG2 GLU 31 HG2 GLU 31 13.094 -13.440 3.749 263 HG3 GLU 31 HG3 GLU 31 13.879 -13.473 2.177 264 H GLN 32 H GLN 32 14.253 -18.021 2.154 265 HA GLN 32 HA GLN 32 13.761 -20.300 2.028 266 HB2 GLN 32 HB2 GLN 32 12.142 -20.787 3.755 267 HB3 GLN 32 HB3 GLN 32 13.176 -19.429 4.189 268 HG2 GLN 32 HG2 GLN 32 11.298 -17.854 3.590 269 HG3 GLN 32 HG3 GLN 32 10.264 -19.241 3.265 270 HE21 GLN 32 HE22 GLN 32 8.965 -18.130 4.881 271 HE22 GLN 32 HE21 GLN 32 9.424 -18.047 6.528 272 H ALA 33 H ALA 33 12.809 -19.374 -0.436 273 HA ALA 33 HA ALA 33 10.533 -19.329 -1.387 274 HB1 ALA 33 HB3 ALA 33 12.576 -19.474 -2.730 275 HB2 ALA 33 HB1 ALA 33 12.505 -21.249 -2.663 276 HB3 ALA 33 HB2 ALA 33 11.230 -20.328 -3.491 277 H SER 34 H SER 34 11.324 -22.637 -0.390 278 HA SER 34 HA SER 34 10.134 -24.597 -0.412 279 HB2 SER 34 HB2 SER 34 8.284 -22.744 1.110 280 HB3 SER 34 HB3 SER 34 8.435 -24.506 1.286 281 HG SER 34 HG SER 34 10.320 -22.513 1.873 282 H GLN 35 H GLN 35 9.013 -22.966 -2.897 283 HA GLN 35 HA GLN 35 6.354 -23.632 -3.285 284 HB2 GLN 35 HB2 GLN 35 8.199 -22.435 -4.796 285 HB3 GLN 35 HB3 GLN 35 8.258 -24.019 -5.583 286 HG2 GLN 35 HG2 GLN 35 5.676 -23.810 -5.796 287 HG3 GLN 35 HG3 GLN 35 5.887 -22.137 -5.265 288 HE21 GLN 35 HE22 GLN 35 7.940 -21.110 -6.648 289 HE22 GLN 35 HE21 GLN 35 7.706 -21.389 -8.393 290 H GLU 36 H GLU 36 8.667 -25.894 -2.690 291 HA GLU 36 HA GLU 36 7.820 -28.293 -4.064 292 HB2 GLU 36 HB2 GLU 36 10.041 -27.975 -3.043 293 HB3 GLU 36 HB3 GLU 36 9.293 -27.723 -1.457 294 HG2 GLU 36 HG2 GLU 36 8.273 -30.027 -1.705 295 HG3 GLU 36 HG3 GLU 36 9.244 -30.240 -3.150 296 H VAL 37 H VAL 37 5.815 -29.106 -3.791 297 HA VAL 37 HA VAL 37 3.760 -28.578 -2.201 298 HB VAL 37 HB VAL 37 3.888 -30.234 -4.031 299 HG11 VAL 37 HG11 VAL 37 4.551 -32.355 -1.966 300 HG12 VAL 37 HG12 VAL 37 4.218 -32.582 -3.688 301 HG13 VAL 37 HG13 VAL 37 5.685 -31.727 -3.192 302 HG21 VAL 37 HG23 VAL 37 2.349 -31.269 -1.611 303 HG22 VAL 37 HG21 VAL 37 1.841 -29.924 -2.629 304 HG23 VAL 37 HG22 VAL 37 1.964 -31.544 -3.330 305 H LYS 38 H LYS 38 6.339 -30.665 -1.074 306 HA LYS 38 HA LYS 38 5.468 -31.744 1.294 307 HB2 LYS 38 HB2 LYS 38 7.508 -32.107 -0.080 308 HB3 LYS 38 HB3 LYS 38 8.117 -30.539 0.437 309 HG2 LYS 38 HG2 LYS 38 7.408 -32.630 2.446 310 HG3 LYS 38 HG3 LYS 38 8.883 -32.770 1.488 311 HD2 LYS 38 HD2 LYS 38 8.868 -30.074 2.485 312 HD3 LYS 38 HD3 LYS 38 8.380 -31.087 3.833 313 HE2 LYS 38 HE2 LYS 38 10.780 -30.754 3.840 314 HE3 LYS 38 HE3 LYS 38 10.424 -32.462 3.555 315 HZ1 LYS 38 HZ3 LYS 38 10.937 -32.120 1.195 316 HZ2 LYS 38 HZ1 LYS 38 10.992 -30.542 1.340 317 HZ3 LYS 38 HZ2 LYS 38 12.179 -31.435 2.037 318 H ASN 39 H ASN 39 6.651 -28.509 0.743 319 HA ASN 39 HA ASN 39 7.121 -26.685 1.988 320 HB2 ASN 39 HB2 ASN 39 5.002 -26.647 0.705 321 HB3 ASN 39 HB3 ASN 39 4.151 -27.017 2.209 322 HD21 ASN 39 HD22 ASN 39 3.153 -25.127 2.602 323 HD22 ASN 39 HD21 ASN 39 3.947 -23.590 2.601 324 H ALA 40 H ALA 40 5.908 -28.965 4.385 325 HA ALA 40 HA ALA 40 5.388 -27.204 6.499 326 HB1 ALA 40 HB3 ALA 40 4.515 -29.474 6.255 327 HB2 ALA 40 HB1 ALA 40 6.144 -30.148 6.513 328 HB3 ALA 40 HB2 ALA 40 5.318 -29.267 7.819 329 H MET 41 H MET 41 7.485 -25.943 5.954 330 HA MET 41 HA MET 41 9.546 -26.386 8.051 331 HB2 MET 41 HB2 MET 41 10.147 -26.022 5.070 332 HB3 MET 41 HB3 MET 41 11.336 -26.102 6.370 333 HG2 MET 41 HG2 MET 41 10.424 -28.426 6.895 334 HG3 MET 41 HG3 MET 41 9.539 -28.323 5.380 335 HE1 MET 41 HE3 MET 41 13.314 -27.154 6.251 336 HE2 MET 41 HE1 MET 41 12.966 -28.650 7.149 337 HE3 MET 41 HE2 MET 41 14.141 -28.660 5.813 338 H THR 42 H THR 42 7.401 -24.154 6.927 339 HA THR 42 HA THR 42 9.067 -21.774 7.474 340 HB THR 42 HB THR 42 8.207 -20.762 5.260 341 HG1 THR 42 HG1 THR 42 7.964 -23.471 4.513 342 HG21 THR 42 HG23 THR 42 10.602 -21.658 5.589 343 HG22 THR 42 HG21 THR 42 10.064 -23.132 4.771 344 HG23 THR 42 HG22 THR 42 9.982 -21.583 3.918 345 H GLU 43 H GLU 43 7.671 -19.732 7.222 346 HA GLU 43 HA GLU 43 5.119 -19.915 8.533 347 HB2 GLU 43 HB2 GLU 43 4.912 -17.554 8.059 348 HB3 GLU 43 HB3 GLU 43 6.553 -17.954 8.600 349 HG2 GLU 43 HG2 GLU 43 6.884 -18.060 5.896 350 HG3 GLU 43 HG3 GLU 43 5.549 -16.909 5.986 351 H THR 44 H THR 44 5.825 -20.691 5.415 352 HA THR 44 HA THR 44 3.539 -20.127 3.883 353 HB THR 44 HB THR 44 5.154 -22.649 3.673 354 HG1 THR 44 HG1 THR 44 6.805 -21.623 3.451 355 HG21 THR 44 HG23 THR 44 3.291 -22.072 2.018 356 HG22 THR 44 HG21 THR 44 4.233 -20.700 1.523 357 HG23 THR 44 HG22 THR 44 4.943 -22.275 1.343 358 H LEU 45 H LEU 45 2.119 -20.328 5.784 359 HA LEU 45 HA LEU 45 1.203 -22.752 6.809 360 HB2 LEU 45 HB2 LEU 45 -0.867 -20.642 6.587 361 HB3 LEU 45 HB3 LEU 45 -0.355 -21.622 7.942 362 HG LEU 45 HG LEU 45 1.736 -20.018 7.879 363 HD11 LEU 45 HD11 LEU 45 -0.548 -18.279 6.699 364 HD12 LEU 45 HD12 LEU 45 1.081 -17.715 7.147 365 HD13 LEU 45 HD13 LEU 45 0.863 -18.789 5.767 366 HD21 LEU 45 HD23 LEU 45 -0.825 -18.936 9.021 367 HD22 LEU 45 HD21 LEU 45 0.155 -20.241 9.749 368 HD23 LEU 45 HD22 LEU 45 0.838 -18.633 9.527 369 H LEU 46 H LEU 46 1.146 -22.938 3.770 370 HA LEU 46 HA LEU 46 -1.210 -24.380 3.210 371 HB2 LEU 46 HB2 LEU 46 -2.200 -22.695 1.557 372 HB3 LEU 46 HB3 LEU 46 -2.585 -22.564 3.234 373 HG LEU 46 HG LEU 46 -1.935 -20.524 1.624 374 HD11 LEU 46 HD11 LEU 46 -1.636 -20.560 4.563 375 HD12 LEU 46 HD12 LEU 46 -1.820 -19.113 3.573 376 HD13 LEU 46 HD13 LEU 46 -3.123 -20.321 3.631 377 HD21 LEU 46 HD23 LEU 46 0.574 -20.553 3.274 378 HD22 LEU 46 HD21 LEU 46 0.571 -21.111 1.594 379 HD23 LEU 46 HD22 LEU 46 0.090 -19.456 1.999 380 H VAL 47 H VAL 47 -1.455 -24.705 0.683 381 HA VAL 47 HA VAL 47 1.228 -24.701 -0.605 382 HB VAL 47 HB VAL 47 -0.534 -27.160 -0.255 383 HG11 VAL 47 HG11 VAL 47 2.237 -26.751 -1.463 384 HG12 VAL 47 HG12 VAL 47 1.489 -28.325 -1.108 385 HG13 VAL 47 HG13 VAL 47 0.757 -27.273 -2.318 386 HG21 VAL 47 HG23 VAL 47 2.082 -26.366 1.078 387 HG22 VAL 47 HG21 VAL 47 0.494 -26.603 1.848 388 HG23 VAL 47 HG22 VAL 47 1.350 -27.986 1.160 389 H GLN 48 H GLN 48 1.135 -24.197 -2.636 390 HA GLN 48 HA GLN 48 -1.199 -23.401 -3.995 391 HB2 GLN 48 HB2 GLN 48 1.579 -24.094 -5.010 392 HB3 GLN 48 HB3 GLN 48 0.313 -23.373 -6.024 393 HG2 GLN 48 HG2 GLN 48 0.115 -21.442 -4.558 394 HG3 GLN 48 HG3 GLN 48 1.243 -22.138 -3.404 395 HE21 GLN 48 HE22 GLN 48 1.173 -19.733 -5.588 396 HE22 GLN 48 HE21 GLN 48 2.867 -19.833 -6.063 397 H ASN 49 H ASN 49 0.325 -26.591 -4.021 398 HA ASN 49 HA ASN 49 -1.619 -27.773 -5.876 399 HB2 ASN 49 HB2 ASN 49 0.814 -28.434 -5.659 400 HB3 ASN 49 HB3 ASN 49 0.461 -29.039 -4.054 401 HD21 ASN 49 HD22 ASN 49 -0.850 -30.911 -3.940 402 HD22 ASN 49 HD21 ASN 49 -0.835 -32.034 -5.306 403 H ALA 50 H ALA 50 -2.914 -26.423 -3.688 404 HA ALA 50 HA ALA 50 -3.858 -28.112 -1.644 405 HB1 ALA 50 HB3 ALA 50 -4.291 -25.697 -1.732 406 HB2 ALA 50 HB1 ALA 50 -5.289 -25.911 -3.187 407 HB3 ALA 50 HB2 ALA 50 -5.831 -26.582 -1.634 408 H ASN 51 H ASN 51 -5.900 -29.267 -1.380 409 HA ASN 51 HA ASN 51 -7.267 -30.149 -3.836 410 HB2 ASN 51 HB2 ASN 51 -6.853 -32.351 -3.645 411 HB3 ASN 51 HB3 ASN 51 -5.378 -31.796 -2.907 412 HD21 ASN 51 HD22 ASN 51 -5.951 -34.333 -2.390 413 HD22 ASN 51 HD21 ASN 51 -6.785 -34.543 -0.842 414 HA PRO 52 HA PRO 52 -10.945 -29.257 -1.716 415 HB2 PRO 52 HB2 PRO 52 -12.804 -31.080 -2.532 416 HB3 PRO 52 HB3 PRO 52 -12.064 -29.859 -3.609 417 HG2 PRO 52 HG2 PRO 52 -11.267 -32.763 -3.269 418 HG3 PRO 52 HG3 PRO 52 -11.539 -31.860 -4.792 419 HD2 PRO 52 HD2 PRO 52 -9.056 -32.241 -3.764 420 HD3 PRO 52 HD3 PRO 52 -9.489 -30.712 -4.587 421 H ASP 53 H ASP 53 -9.951 -32.591 -1.185 422 HA ASP 53 HA ASP 53 -11.556 -33.347 1.043 423 HB2 ASP 53 HB2 ASP 53 -10.414 -34.915 -0.354 424 HB3 ASP 53 HB3 ASP 53 -8.859 -34.148 -0.097 425 H CYS 54 H CYS 54 -8.037 -32.403 1.243 426 HA CYS 54 HA CYS 54 -8.044 -31.651 3.927 427 HB2 CYS 54 HB2 CYS 54 -6.364 -31.029 1.615 428 HB3 CYS 54 HB3 CYS 54 -6.327 -29.748 2.835 429 HG CYS 54 HG CYS 54 -4.518 -30.952 3.997 430 H LYS 55 H LYS 55 -9.266 -29.739 1.232 431 HA LYS 55 HA LYS 55 -9.540 -27.193 2.624 432 HB2 LYS 55 HB2 LYS 55 -10.445 -28.398 0.134 433 HB3 LYS 55 HB3 LYS 55 -11.760 -27.558 0.910 434 HG2 LYS 55 HG2 LYS 55 -10.803 -25.986 -0.527 435 HG3 LYS 55 HG3 LYS 55 -10.237 -25.503 1.065 436 HD2 LYS 55 HD2 LYS 55 -8.551 -27.153 -0.893 437 HD3 LYS 55 HD3 LYS 55 -8.622 -25.411 -0.915 438 HE2 LYS 55 HE2 LYS 55 -6.723 -25.738 0.255 439 HE3 LYS 55 HE3 LYS 55 -7.876 -25.478 1.567 440 HZ1 LYS 55 HZ3 LYS 55 -7.867 -27.794 2.017 441 HZ2 LYS 55 HZ1 LYS 55 -7.156 -28.189 0.618 442 HZ3 LYS 55 HZ2 LYS 55 -6.285 -27.422 1.811 443 H THR 56 H THR 56 -11.974 -29.792 2.224 444 HA THR 56 HA THR 56 -13.909 -28.673 3.980 445 HB THR 56 HB THR 56 -13.370 -31.611 3.384 446 HG1 THR 56 HG1 THR 56 -13.797 -30.931 1.456 447 HG21 THR 56 HG23 THR 56 -15.072 -31.330 5.149 448 HG22 THR 56 HG21 THR 56 -15.923 -30.122 4.159 449 HG23 THR 56 HG22 THR 56 -15.837 -31.818 3.629 450 H ILE 57 H ILE 57 -10.988 -30.415 4.594 451 HA ILE 57 HA ILE 57 -11.601 -31.148 7.374 452 HB ILE 57 HB ILE 57 -9.170 -31.337 5.623 453 HG12 ILE 57 HG12 ILE 57 -10.731 -33.554 7.002 454 HG13 ILE 57 HG13 ILE 57 -11.264 -32.876 5.464 455 HG21 ILE 57 HG21 ILE 57 -9.224 -32.289 8.501 456 HG22 ILE 57 HG22 ILE 57 -7.943 -32.583 7.302 457 HG23 ILE 57 HG23 ILE 57 -8.215 -30.964 7.871 458 HD11 ILE 57 HD13 ILE 57 -9.104 -33.421 4.438 459 HD12 ILE 57 HD11 ILE 57 -8.584 -34.214 5.937 460 HD13 ILE 57 HD12 ILE 57 -9.969 -34.850 5.019 461 H LEU 58 H LEU 58 -8.836 -29.005 6.243 462 HA LEU 58 HA LEU 58 -8.507 -28.025 8.865 463 HB2 LEU 58 HB2 LEU 58 -7.755 -26.563 6.279 464 HB3 LEU 58 HB3 LEU 58 -7.162 -26.222 7.900 465 HG LEU 58 HG LEU 58 -6.410 -28.749 7.866 466 HD11 LEU 58 HD11 LEU 58 -6.729 -28.120 4.948 467 HD12 LEU 58 HD12 LEU 58 -5.472 -29.278 5.508 468 HD13 LEU 58 HD13 LEU 58 -7.148 -29.586 5.880 469 HD21 LEU 58 HD23 LEU 58 -5.133 -26.300 6.625 470 HD22 LEU 58 HD21 LEU 58 -4.722 -27.162 8.138 471 HD23 LEU 58 HD22 LEU 58 -4.248 -27.830 6.566 472 H LYS 59 H LYS 59 -10.724 -27.021 6.451 473 HA LYS 59 HA LYS 59 -11.618 -24.511 7.360 474 HB2 LYS 59 HB2 LYS 59 -13.066 -26.872 6.209 475 HB3 LYS 59 HB3 LYS 59 -14.009 -25.508 6.793 476 HG2 LYS 59 HG2 LYS 59 -11.684 -24.941 4.955 477 HG3 LYS 59 HG3 LYS 59 -13.175 -25.627 4.291 478 HD2 LYS 59 HD2 LYS 59 -14.466 -23.731 5.272 479 HD3 LYS 59 HD3 LYS 59 -12.939 -23.018 5.843 480 HE2 LYS 59 HE2 LYS 59 -12.102 -22.853 3.547 481 HE3 LYS 59 HE3 LYS 59 -13.491 -23.776 2.942 482 HZ1 LYS 59 HZ3 LYS 59 -14.892 -21.871 3.792 483 HZ2 LYS 59 HZ1 LYS 59 -13.509 -21.013 4.016 484 HZ3 LYS 59 HZ2 LYS 59 -13.891 -21.451 2.549 485 H ALA 60 H ALA 60 -12.096 -27.584 8.961 486 HA ALA 60 HA ALA 60 -13.165 -26.163 11.367 487 HB1 ALA 60 HB3 ALA 60 -14.853 -27.614 10.307 488 HB2 ALA 60 HB1 ALA 60 -13.740 -28.998 10.413 489 HB3 ALA 60 HB2 ALA 60 -14.369 -28.242 11.895 490 H LEU 61 H LEU 61 -10.378 -27.483 10.213 491 HA LEU 61 HA LEU 61 -9.464 -28.428 12.871 492 HB2 LEU 61 HB2 LEU 61 -9.818 -29.975 10.562 493 HB3 LEU 61 HB3 LEU 61 -8.122 -29.661 10.537 494 HG LEU 61 HG LEU 61 -9.688 -30.813 12.896 495 HD11 LEU 61 HD11 LEU 61 -7.706 -32.143 11.008 496 HD12 LEU 61 HD12 LEU 61 -8.533 -32.910 12.379 497 HD13 LEU 61 HD13 LEU 61 -9.469 -32.353 10.985 498 HD21 LEU 61 HD23 LEU 61 -6.685 -30.413 12.581 499 HD22 LEU 61 HD21 LEU 61 -7.732 -29.611 13.771 500 HD23 LEU 61 HD22 LEU 61 -7.463 -31.354 13.875 501 H GLY 62 H GLY 62 -9.246 -25.798 12.126 502 HA2 GLY 62 HA2 GLY 62 -6.324 -25.415 11.573 503 HA3 GLY 62 HA3 GLY 62 -7.582 -24.216 11.342 504 HA PRO 63 HA PRO 63 -6.966 -23.947 16.052 505 HB2 PRO 63 HB2 PRO 63 -5.999 -25.917 17.630 506 HB3 PRO 63 HB3 PRO 63 -7.591 -26.099 16.842 507 HG2 PRO 63 HG2 PRO 63 -4.911 -27.127 15.814 508 HG3 PRO 63 HG3 PRO 63 -6.409 -28.073 16.100 509 HD2 PRO 63 HD2 PRO 63 -5.808 -27.039 13.648 510 HD3 PRO 63 HD3 PRO 63 -7.487 -27.124 14.269 511 H ALA 64 H ALA 64 -4.976 -23.460 14.042 512 HA ALA 64 HA ALA 64 -2.818 -22.860 13.621 513 HB1 ALA 64 HB3 ALA 64 -3.778 -21.052 14.996 514 HB2 ALA 64 HB1 ALA 64 -3.068 -21.799 16.450 515 HB3 ALA 64 HB2 ALA 64 -2.015 -21.171 15.171 516 H ALA 65 H ALA 65 -2.917 -25.629 14.979 517 HA ALA 65 HA ALA 65 0.065 -25.800 15.113 518 HB1 ALA 65 HB3 ALA 65 -0.778 -25.865 17.425 519 HB2 ALA 65 HB1 ALA 65 -1.890 -27.190 17.010 520 HB3 ALA 65 HB2 ALA 65 -0.130 -27.445 16.942 521 H THR 66 H THR 66 -2.770 -28.134 15.069 522 HA THR 66 HA THR 66 -1.498 -30.047 13.525 523 HB THR 66 HB THR 66 -4.406 -29.472 12.993 524 HG1 THR 66 HG1 THR 66 -4.202 -30.940 15.117 525 HG21 THR 66 HG23 THR 66 -3.224 -31.523 12.076 526 HG22 THR 66 HG21 THR 66 -2.916 -32.034 13.727 527 HG23 THR 66 HG22 THR 66 -4.595 -31.901 13.133 528 H LEU 67 H LEU 67 -2.586 -26.961 12.300 529 HA LEU 67 HA LEU 67 -3.132 -27.619 9.604 530 HB2 LEU 67 HB2 LEU 67 -3.417 -25.532 10.774 531 HB3 LEU 67 HB3 LEU 67 -1.691 -25.210 10.724 532 HG LEU 67 HG LEU 67 -3.781 -24.929 8.526 533 HD11 LEU 67 HD11 LEU 67 -1.232 -23.465 9.304 534 HD12 LEU 67 HD12 LEU 67 -2.454 -22.908 8.133 535 HD13 LEU 67 HD13 LEU 67 -2.863 -23.023 9.867 536 HD21 LEU 67 HD23 LEU 67 -0.911 -25.529 7.896 537 HD22 LEU 67 HD21 LEU 67 -2.391 -26.446 7.425 538 HD23 LEU 67 HD22 LEU 67 -2.102 -24.817 6.804 539 H GLU 68 H GLU 68 -0.017 -26.925 11.163 540 HA GLU 68 HA GLU 68 1.748 -26.792 9.156 541 HB2 GLU 68 HB2 GLU 68 2.074 -28.512 11.651 542 HB3 GLU 68 HB3 GLU 68 3.417 -27.836 10.720 543 HG2 GLU 68 HG2 GLU 68 1.256 -26.126 12.020 544 HG3 GLU 68 HG3 GLU 68 2.615 -26.702 12.892 545 H GLU 69 H GLU 69 0.318 -29.906 10.154 546 HA GLU 69 HA GLU 69 1.825 -31.252 7.914 547 HB2 GLU 69 HB2 GLU 69 1.006 -33.319 8.776 548 HB3 GLU 69 HB3 GLU 69 1.643 -32.322 10.098 549 HG2 GLU 69 HG2 GLU 69 -0.729 -31.571 10.529 550 HG3 GLU 69 HG3 GLU 69 -1.303 -32.772 9.433 551 H MET 70 H MET 70 -1.428 -30.165 8.754 552 HA MET 70 HA MET 70 -2.871 -31.611 6.721 553 HB2 MET 70 HB2 MET 70 -3.507 -29.070 8.101 554 HB3 MET 70 HB3 MET 70 -4.667 -30.153 7.269 555 HG2 MET 70 HG2 MET 70 -3.115 -31.366 9.417 556 HG3 MET 70 HG3 MET 70 -4.113 -29.976 9.884 557 HE1 MET 70 HE3 MET 70 -4.431 -33.262 7.542 558 HE2 MET 70 HE1 MET 70 -3.869 -33.705 9.169 559 HE3 MET 70 HE2 MET 70 -5.473 -34.207 8.618 560 H MET 71 H MET 71 -1.022 -28.782 6.753 561 HA MET 71 HA MET 71 -1.515 -27.176 4.500 562 HB2 MET 71 HB2 MET 71 0.213 -26.662 6.159 563 HB3 MET 71 HB3 MET 71 1.031 -28.175 5.849 564 HG2 MET 71 HG2 MET 71 1.565 -27.333 3.514 565 HG3 MET 71 HG3 MET 71 1.010 -25.740 4.009 566 HE1 MET 71 HE3 MET 71 2.119 -24.721 6.408 567 HE2 MET 71 HE1 MET 71 2.403 -26.255 7.260 568 HE3 MET 71 HE2 MET 71 3.757 -25.158 6.940 569 H THR 72 H THR 72 0.491 -30.069 4.769 570 HA THR 72 HA THR 72 0.982 -30.309 1.888 571 HB THR 72 HB THR 72 1.858 -31.850 4.318 572 HG1 THR 72 HG1 THR 72 3.853 -30.346 3.502 573 HG21 THR 72 HG23 THR 72 2.458 -33.186 2.392 574 HG22 THR 72 HG21 THR 72 3.108 -31.766 1.542 575 HG23 THR 72 HG22 THR 72 3.930 -32.424 2.987 576 H ALA 73 H ALA 73 -0.689 -32.082 4.512 577 HA ALA 73 HA ALA 73 -0.615 -34.670 3.631 578 HB1 ALA 73 HB3 ALA 73 -1.613 -33.951 5.757 579 HB2 ALA 73 HB1 ALA 73 -2.998 -33.240 4.894 580 HB3 ALA 73 HB2 ALA 73 -2.732 -34.992 4.870 581 H CYS 74 H CYS 74 -2.734 -32.155 2.445 582 HA CYS 74 HA CYS 74 -4.419 -33.592 0.703 583 HB2 CYS 74 HB2 CYS 74 -5.006 -31.466 -0.077 584 HB3 CYS 74 HB3 CYS 74 -4.287 -31.096 1.500 585 HG CYS 74 HG CYS 74 -2.836 -30.901 -1.493 586 H GLN 75 H GLN 75 -1.048 -33.523 0.203 587 HA GLN 75 HA GLN 75 -0.812 -32.858 -2.519 588 HB2 GLN 75 HB2 GLN 75 1.413 -33.663 -2.322 589 HB3 GLN 75 HB3 GLN 75 0.953 -32.933 -0.790 590 HG2 GLN 75 HG2 GLN 75 1.799 -34.747 0.177 591 HG3 GLN 75 HG3 GLN 75 0.342 -35.580 -0.306 592 HE21 GLN 75 HE22 GLN 75 1.112 -35.798 -3.298 593 HE22 GLN 75 HE21 GLN 75 2.470 -36.919 -3.224 594 H GLY 76 H GLY 76 -1.883 -35.877 -1.247 595 HA2 GLY 76 HA2 GLY 76 -2.159 -37.164 -3.846 596 HA3 GLY 76 HA3 GLY 76 -0.716 -37.721 -2.998 597 H VAL 77 H VAL 77 -2.874 -37.008 -0.614 598 HA VAL 77 HA VAL 77 -3.476 -39.494 0.367 599 HB VAL 77 HB VAL 77 -4.886 -36.842 0.526 600 HG11 VAL 77 HG11 VAL 77 -5.976 -39.375 1.849 601 HG12 VAL 77 HG12 VAL 77 -6.394 -37.712 2.302 602 HG13 VAL 77 HG13 VAL 77 -6.842 -38.308 0.712 603 HG21 VAL 77 HG23 VAL 77 -3.710 -38.690 2.644 604 HG22 VAL 77 HG21 VAL 77 -2.755 -37.499 1.764 605 HG23 VAL 77 HG22 VAL 77 -4.092 -36.977 2.806 606 H GLY 78 H GLY 78 -5.340 -38.094 -2.314 607 HA2 GLY 78 HA2 GLY 78 -6.476 -39.233 -3.979 608 HA3 GLY 78 HA3 GLY 78 -6.089 -40.748 -3.169 609 H GLY 79 H GLY 79 -7.458 -40.164 -0.639 610 HA2 GLY 79 HA2 GLY 79 -10.037 -39.063 -1.032 611 HA3 GLY 79 HA3 GLY 79 -10.169 -40.824 -1.141 612 HA PRO 80 HA PRO 80 -9.884 -38.920 3.257 613 HB2 PRO 80 HB2 PRO 80 -12.517 -39.195 4.115 614 HB3 PRO 80 HB3 PRO 80 -11.828 -37.734 3.352 615 HG2 PRO 80 HG2 PRO 80 -13.411 -39.958 2.046 616 HG3 PRO 80 HG3 PRO 80 -13.594 -38.186 1.830 617 HD2 PRO 80 HD2 PRO 80 -12.232 -39.695 0.039 618 HD3 PRO 80 HD3 PRO 80 -11.647 -38.062 0.488 619 H GLY 81 H GLY 81 -9.068 -40.323 4.630 620 HA2 GLY 81 HA2 GLY 81 -8.776 -42.085 6.075 621 HA3 GLY 81 HA3 GLY 81 -10.512 -42.316 5.943 622 H HIS 82 H HIS 82 -9.689 -42.987 2.907 623 HA HIS 82 HA HIS 82 -10.242 -45.680 3.089 624 HB2 HIS 82 HB2 HIS 82 -9.936 -45.793 0.750 625 HB3 HIS 82 HB3 HIS 82 -10.492 -44.167 1.104 626 HD2 HIS 82 HD2 HIS 82 -7.495 -43.026 1.952 627 HE1 HIS 82 HE1 HIS 82 -6.758 -43.608 -2.202 628 HE2 HIS 82 HE2 HIS 82 -6.066 -42.307 -0.129 629 H LYS 83 H LYS 83 -7.227 -44.713 4.166 630 HA LYS 83 HA LYS 83 -6.398 -47.524 4.073 631 HB2 LYS 83 HB2 LYS 83 -4.729 -45.188 3.137 632 HB3 LYS 83 HB3 LYS 83 -3.944 -46.582 3.887 633 HG2 LYS 83 HG2 LYS 83 -3.853 -47.521 1.858 634 HG3 LYS 83 HG3 LYS 83 -5.559 -47.868 2.060 635 HD2 LYS 83 HD2 LYS 83 -5.847 -45.421 1.031 636 HD3 LYS 83 HD3 LYS 83 -4.195 -45.683 0.479 637 HE2 LYS 83 HE2 LYS 83 -5.388 -46.496 -1.343 638 HE3 LYS 83 HE3 LYS 83 -5.132 -47.981 -0.414 639 HZ1 LYS 83 HZ3 LYS 83 -7.407 -47.464 0.597 640 HZ2 LYS 83 HZ1 LYS 83 -7.578 -46.307 -0.534 641 HZ3 LYS 83 HZ2 LYS 83 -7.445 -47.868 -1.012 642 H ALA 84 H ALA 84 -5.937 -48.207 6.064 643 HA ALA 84 HA ALA 84 -6.219 -46.631 8.361 644 HB1 ALA 84 HB3 ALA 84 -6.803 -49.022 8.108 645 HB2 ALA 84 HB1 ALA 84 -5.072 -49.441 8.064 646 HB3 ALA 84 HB2 ALA 84 -5.792 -48.742 9.529 647 H ARG 85 H ARG 85 -3.826 -45.700 6.806 648 HA ARG 85 HA ARG 85 -2.075 -45.184 9.089 649 HB2 ARG 85 HB2 ARG 85 -1.236 -47.322 7.630 650 HB3 ARG 85 HB3 ARG 85 -0.643 -46.054 6.573 651 HG2 ARG 85 HG2 ARG 85 1.211 -46.283 7.901 652 HG3 ARG 85 HG3 ARG 85 0.375 -45.092 8.886 653 HD2 ARG 85 HD2 ARG 85 0.576 -48.091 9.307 654 HD3 ARG 85 HD3 ARG 85 1.193 -46.801 10.342 655 HE ARG 85 HE ARG 85 -1.749 -47.223 9.881 656 HH11 ARG 85 HH11 ARG 85 0.782 -46.880 12.292 657 HH12 ARG 85 HH12 ARG 85 -0.378 -46.861 13.592 658 HH21 ARG 85 HH21 ARG 85 -3.085 -47.207 11.461 659 HH22 ARG 85 HH22 ARG 85 -2.573 -47.098 13.135 660 H VAL 86 H VAL 86 -3.923 -43.828 7.030 661 HA VAL 86 HA VAL 86 -2.207 -41.853 5.721 662 HB VAL 86 HB VAL 86 -4.383 -42.796 4.831 663 HG11 VAL 86 HG11 VAL 86 -5.706 -40.828 6.743 664 HG12 VAL 86 HG12 VAL 86 -6.492 -41.801 5.488 665 HG13 VAL 86 HG13 VAL 86 -5.768 -42.593 6.900 666 HG21 VAL 86 HG23 VAL 86 -4.427 -39.778 4.937 667 HG22 VAL 86 HG21 VAL 86 -3.278 -40.710 3.953 668 HG23 VAL 86 HG22 VAL 86 -5.025 -40.846 3.671 669 H LEU 87 H LEU 87 -2.600 -39.552 6.042 670 HA LEU 87 HA LEU 87 -3.526 -38.539 8.599 671 HB2 LEU 87 HB2 LEU 87 -0.748 -37.931 7.449 672 HB3 LEU 87 HB3 LEU 87 -1.624 -36.906 8.568 673 HG LEU 87 HG LEU 87 -1.586 -38.877 10.235 674 HD11 LEU 87 HD11 LEU 87 0.689 -39.697 8.373 675 HD12 LEU 87 HD12 LEU 87 0.414 -40.335 10.010 676 HD13 LEU 87 HD13 LEU 87 -0.757 -40.661 8.727 677 HD21 LEU 87 HD23 LEU 87 0.952 -37.406 9.389 678 HD22 LEU 87 HD21 LEU 87 -0.304 -36.787 10.472 679 HD23 LEU 87 HD22 LEU 87 0.681 -38.163 10.976 Start of MODEL 28 1 H1 MET 1 H1 MET 1 2.331 -6.775 -9.293 2 H2 MET 1 H2 MET 1 3.883 -6.279 -9.387 3 H3 MET 1 H3 MET 1 2.817 -5.859 -10.585 4 HA MET 1 HA MET 1 3.258 -3.992 -9.039 5 HB2 MET 1 HB2 MET 1 0.442 -5.173 -8.977 6 HB3 MET 1 HB3 MET 1 0.860 -3.547 -8.420 7 HG2 MET 1 HG2 MET 1 1.561 -2.889 -10.651 8 HG3 MET 1 HG3 MET 1 1.328 -4.538 -11.260 9 HE1 MET 1 HE3 MET 1 0.070 -1.874 -12.602 10 HE2 MET 1 HE1 MET 1 -0.136 -3.510 -13.279 11 HE3 MET 1 HE2 MET 1 -1.552 -2.472 -13.006 12 H SER 2 H SER 2 3.897 -3.605 -6.960 13 HA SER 2 HA SER 2 4.617 -4.038 -4.901 14 HB2 SER 2 HB2 SER 2 2.099 -5.687 -4.514 15 HB3 SER 2 HB3 SER 2 3.167 -5.072 -3.242 16 HG SER 2 HG SER 2 1.491 -3.613 -3.553 17 HA PRO 3 HA PRO 3 6.677 -7.997 -5.102 18 HB2 PRO 3 HB2 PRO 3 8.298 -7.919 -2.943 19 HB3 PRO 3 HB3 PRO 3 8.418 -6.734 -4.272 20 HG2 PRO 3 HG2 PRO 3 7.111 -6.357 -1.565 21 HG3 PRO 3 HG3 PRO 3 8.140 -5.230 -2.483 22 HD2 PRO 3 HD2 PRO 3 5.338 -5.198 -2.471 23 HD3 PRO 3 HD3 PRO 3 6.372 -4.488 -3.743 24 H THR 4 H THR 4 6.321 -7.915 -1.561 25 HA THR 4 HA THR 4 5.017 -10.590 -1.647 26 HB THR 4 HB THR 4 7.250 -9.789 0.239 27 HG1 THR 4 HG1 THR 4 8.407 -11.251 -1.387 28 HG21 THR 4 HG23 THR 4 5.887 -11.826 0.811 29 HG22 THR 4 HG21 THR 4 6.316 -12.518 -0.773 30 HG23 THR 4 HG22 THR 4 7.557 -12.191 0.457 31 H SER 5 H SER 5 3.240 -8.647 -1.248 32 HA SER 5 HA SER 5 2.755 -7.664 1.316 33 HB2 SER 5 HB2 SER 5 0.748 -8.599 -0.754 34 HB3 SER 5 HB3 SER 5 0.351 -7.595 0.640 35 HG SER 5 HG SER 5 1.329 -5.944 -0.159 36 H ILE 6 H ILE 6 3.060 -10.977 1.086 37 HA ILE 6 HA ILE 6 0.634 -11.790 2.449 38 HB ILE 6 HB ILE 6 1.553 -13.631 1.613 39 HG12 ILE 6 HG12 ILE 6 2.408 -15.062 3.438 40 HG13 ILE 6 HG13 ILE 6 2.796 -13.686 4.404 41 HG21 ILE 6 HG21 ILE 6 4.372 -12.842 2.406 42 HG22 ILE 6 HG22 ILE 6 3.897 -14.340 1.591 43 HG23 ILE 6 HG23 ILE 6 3.658 -12.820 0.761 44 HD11 ILE 6 HD13 ILE 6 0.617 -13.442 5.100 45 HD12 ILE 6 HD11 ILE 6 -0.039 -13.712 3.476 46 HD13 ILE 6 HD12 ILE 6 0.425 -15.095 4.514 47 H LEU 7 H LEU 7 3.899 -10.932 3.730 48 HA LEU 7 HA LEU 7 2.861 -11.065 6.393 49 HB2 LEU 7 HB2 LEU 7 5.175 -10.323 7.052 50 HB3 LEU 7 HB3 LEU 7 5.120 -11.718 5.988 51 HG LEU 7 HG LEU 7 5.780 -10.351 4.054 52 HD11 LEU 7 HD11 LEU 7 5.952 -8.043 6.039 53 HD12 LEU 7 HD12 LEU 7 6.668 -8.042 4.409 54 HD13 LEU 7 HD13 LEU 7 4.919 -8.134 4.593 55 HD21 LEU 7 HD23 LEU 7 7.586 -9.975 6.480 56 HD22 LEU 7 HD21 LEU 7 7.484 -11.428 5.451 57 HD23 LEU 7 HD22 LEU 7 8.083 -9.911 4.770 58 H ASP 8 H ASP 8 1.575 -9.247 4.738 59 HA ASP 8 HA ASP 8 1.514 -6.729 6.363 60 HB2 ASP 8 HB2 ASP 8 2.622 -5.984 4.476 61 HB3 ASP 8 HB3 ASP 8 1.879 -7.135 3.402 62 H ILE 9 H ILE 9 -0.087 -8.971 4.096 63 HA ILE 9 HA ILE 9 -2.759 -8.264 5.201 64 HB ILE 9 HB ILE 9 -3.754 -9.856 3.745 65 HG12 ILE 9 HG12 ILE 9 -1.316 -10.676 2.227 66 HG13 ILE 9 HG13 ILE 9 -1.503 -11.420 3.808 67 HG21 ILE 9 HG21 ILE 9 -1.749 -8.308 2.103 68 HG22 ILE 9 HG22 ILE 9 -3.280 -9.036 1.543 69 HG23 ILE 9 HG23 ILE 9 -3.304 -7.713 2.732 70 HD11 ILE 9 HD13 ILE 9 -3.783 -12.149 3.242 71 HD12 ILE 9 HD11 ILE 9 -3.621 -11.454 1.615 72 HD13 ILE 9 HD12 ILE 9 -2.581 -12.807 2.115 73 H ARG 10 H ARG 10 -0.524 -9.497 6.651 74 HA ARG 10 HA ARG 10 -0.440 -12.181 7.007 75 HB2 ARG 10 HB2 ARG 10 0.915 -11.752 8.923 76 HB3 ARG 10 HB3 ARG 10 1.160 -10.455 7.774 77 HG2 ARG 10 HG2 ARG 10 1.063 -9.359 9.780 78 HG3 ARG 10 HG3 ARG 10 -0.533 -9.065 9.138 79 HD2 ARG 10 HD2 ARG 10 -1.598 -10.478 10.675 80 HD3 ARG 10 HD3 ARG 10 -0.170 -11.453 10.983 81 HE ARG 10 HE ARG 10 0.392 -8.854 11.918 82 HH11 ARG 10 HH11 ARG 10 -2.072 -11.272 12.782 83 HH12 ARG 10 HH12 ARG 10 -2.013 -10.834 14.454 84 HH21 ARG 10 HH21 ARG 10 0.326 -8.334 14.075 85 HH22 ARG 10 HH22 ARG 10 -0.696 -9.216 15.171 86 H GLN 11 H GLN 11 -3.141 -10.599 7.978 87 HA GLN 11 HA GLN 11 -4.257 -10.523 10.129 88 HB2 GLN 11 HB2 GLN 11 -5.487 -11.041 8.089 89 HB3 GLN 11 HB3 GLN 11 -5.203 -12.769 8.300 90 HG2 GLN 11 HG2 GLN 11 -6.565 -12.843 10.295 91 HG3 GLN 11 HG3 GLN 11 -6.551 -11.087 10.473 92 HE21 GLN 11 HE22 GLN 11 -8.763 -13.374 9.912 93 HE22 GLN 11 HE21 GLN 11 -9.723 -12.466 8.740 94 H GLY 12 H GLY 12 -3.843 -13.994 9.456 95 HA2 GLY 12 HA2 GLY 12 -2.271 -14.911 11.285 96 HA3 GLY 12 HA3 GLY 12 -3.672 -14.647 12.356 97 HA PRO 13 HA PRO 13 -5.264 -17.457 8.797 98 HB2 PRO 13 HB2 PRO 13 -3.578 -18.648 7.023 99 HB3 PRO 13 HB3 PRO 13 -4.047 -16.928 6.971 100 HG2 PRO 13 HG2 PRO 13 -1.594 -18.064 8.354 101 HG3 PRO 13 HG3 PRO 13 -1.609 -16.835 7.037 102 HD2 PRO 13 HD2 PRO 13 -1.526 -16.111 9.604 103 HD3 PRO 13 HD3 PRO 13 -2.617 -15.244 8.472 104 H LYS 14 H LYS 14 -4.000 -18.416 11.393 105 HA LYS 14 HA LYS 14 -3.535 -21.252 11.452 106 HB2 LYS 14 HB2 LYS 14 -5.108 -19.454 13.310 107 HB3 LYS 14 HB3 LYS 14 -4.586 -21.115 13.672 108 HG2 LYS 14 HG2 LYS 14 -2.345 -20.506 13.924 109 HG3 LYS 14 HG3 LYS 14 -2.539 -18.994 13.032 110 HD2 LYS 14 HD2 LYS 14 -2.270 -18.579 15.413 111 HD3 LYS 14 HD3 LYS 14 -3.814 -17.977 14.829 112 HE2 LYS 14 HE2 LYS 14 -3.525 -20.658 16.258 113 HE3 LYS 14 HE3 LYS 14 -3.722 -19.133 17.119 114 HZ1 LYS 14 HZ3 LYS 14 -5.873 -18.866 15.713 115 HZ2 LYS 14 HZ1 LYS 14 -5.720 -20.388 15.312 116 HZ3 LYS 14 HZ2 LYS 14 -5.895 -20.046 16.866 117 H GLU 15 H GLU 15 -6.623 -19.482 11.667 118 HA GLU 15 HA GLU 15 -8.158 -21.914 11.620 119 HB2 GLU 15 HB2 GLU 15 -8.844 -18.969 11.748 120 HB3 GLU 15 HB3 GLU 15 -10.100 -20.173 11.525 121 HG2 GLU 15 HG2 GLU 15 -9.936 -19.586 13.859 122 HG3 GLU 15 HG3 GLU 15 -9.489 -21.278 13.615 123 HA PRO 16 HA PRO 16 -9.811 -20.720 7.335 124 HB2 PRO 16 HB2 PRO 16 -8.930 -18.609 5.866 125 HB3 PRO 16 HB3 PRO 16 -9.956 -18.382 7.304 126 HG2 PRO 16 HG2 PRO 16 -6.915 -18.274 7.167 127 HG3 PRO 16 HG3 PRO 16 -8.030 -16.999 7.774 128 HD2 PRO 16 HD2 PRO 16 -6.890 -18.785 9.451 129 HD3 PRO 16 HD3 PRO 16 -8.580 -18.264 9.678 130 H PHE 17 H PHE 17 -7.710 -22.524 7.814 131 HA PHE 17 HA PHE 17 -5.368 -22.463 6.530 132 HB2 PHE 17 HB2 PHE 17 -6.920 -24.543 7.557 133 HB3 PHE 17 HB3 PHE 17 -6.573 -25.104 5.970 134 HD1 PHE 17 HD2 PHE 17 -4.600 -23.300 8.651 135 HD2 PHE 17 HD1 PHE 17 -4.830 -26.684 5.966 136 HE1 PHE 17 HE2 PHE 17 -2.376 -24.075 9.412 137 HE2 PHE 17 HE1 PHE 17 -2.621 -27.467 6.774 138 HZ PHE 17 HZ PHE 17 -1.380 -26.136 8.490 139 H ARG 18 H ARG 18 -8.135 -23.945 4.599 140 HA ARG 18 HA ARG 18 -6.667 -23.902 2.186 141 HB2 ARG 18 HB2 ARG 18 -8.434 -25.081 1.369 142 HB3 ARG 18 HB3 ARG 18 -8.251 -25.582 3.031 143 HG2 ARG 18 HG2 ARG 18 -10.568 -25.385 2.841 144 HG3 ARG 18 HG3 ARG 18 -10.131 -23.845 3.595 145 HD2 ARG 18 HD2 ARG 18 -10.014 -22.850 1.222 146 HD3 ARG 18 HD3 ARG 18 -10.383 -24.463 0.682 147 HE ARG 18 HE ARG 18 -12.246 -22.917 2.450 148 HH11 ARG 18 HH11 ARG 18 -11.629 -23.860 -0.851 149 HH12 ARG 18 HH12 ARG 18 -13.106 -23.107 -1.401 150 HH21 ARG 18 HH21 ARG 18 -13.771 -21.831 1.756 151 HH22 ARG 18 HH22 ARG 18 -14.384 -21.928 0.113 152 H ASP 19 H ASP 19 -9.200 -21.918 3.684 153 HA ASP 19 HA ASP 19 -9.973 -20.405 1.420 154 HB2 ASP 19 HB2 ASP 19 -10.189 -19.486 4.306 155 HB3 ASP 19 HB3 ASP 19 -11.249 -19.086 2.962 156 H TYR 20 H TYR 20 -7.272 -20.172 3.346 157 HA TYR 20 HA TYR 20 -6.477 -17.470 2.312 158 HB2 TYR 20 HB2 TYR 20 -6.925 -17.547 4.726 159 HB3 TYR 20 HB3 TYR 20 -5.583 -18.664 4.915 160 HD1 TYR 20 HD1 TYR 20 -3.225 -17.829 4.071 161 HD2 TYR 20 HD2 TYR 20 -6.552 -15.157 4.768 162 HE1 TYR 20 HE1 TYR 20 -1.655 -15.995 4.582 163 HE2 TYR 20 HE2 TYR 20 -4.954 -13.343 5.340 164 HH TYR 20 HH TYR 20 -1.435 -13.808 5.364 165 H VAL 21 H VAL 21 -5.179 -20.846 2.947 166 HA VAL 21 HA VAL 21 -2.578 -20.349 1.989 167 HB VAL 21 HB VAL 21 -3.137 -22.500 2.908 168 HG11 VAL 21 HG11 VAL 21 -4.366 -23.525 0.385 169 HG12 VAL 21 HG12 VAL 21 -4.474 -24.106 2.089 170 HG13 VAL 21 HG13 VAL 21 -5.316 -22.642 1.557 171 HG21 VAL 21 HG23 VAL 21 -2.198 -22.890 0.068 172 HG22 VAL 21 HG21 VAL 21 -1.161 -22.314 1.385 173 HG23 VAL 21 HG22 VAL 21 -1.941 -23.895 1.493 174 H ASP 22 H ASP 22 -5.488 -21.087 -0.038 175 HA ASP 22 HA ASP 22 -4.169 -21.221 -2.512 176 HB2 ASP 22 HB2 ASP 22 -6.820 -20.938 -1.512 177 HB3 ASP 22 HB3 ASP 22 -6.620 -19.624 -2.628 178 H ARG 23 H ARG 23 -5.125 -18.527 -0.676 179 HA ARG 23 HA ARG 23 -4.475 -16.437 -2.617 180 HB2 ARG 23 HB2 ARG 23 -4.912 -15.617 0.213 181 HB3 ARG 23 HB3 ARG 23 -5.628 -15.013 -1.274 182 HG2 ARG 23 HG2 ARG 23 -6.419 -17.508 0.252 183 HG3 ARG 23 HG3 ARG 23 -7.308 -15.996 0.257 184 HD2 ARG 23 HD2 ARG 23 -6.775 -17.364 -2.379 185 HD3 ARG 23 HD3 ARG 23 -7.905 -18.127 -1.246 186 HE ARG 23 HE ARG 23 -8.595 -15.416 -1.450 187 HH11 ARG 23 HH11 ARG 23 -8.421 -18.236 -3.573 188 HH12 ARG 23 HH12 ARG 23 -9.678 -17.696 -4.625 189 HH21 ARG 23 HH21 ARG 23 -10.371 -14.842 -2.772 190 HH22 ARG 23 HH22 ARG 23 -10.826 -15.832 -4.130 191 H PHE 24 H PHE 24 -2.855 -17.870 0.159 192 HA PHE 24 HA PHE 24 -0.626 -15.977 0.087 193 HB2 PHE 24 HB2 PHE 24 -1.228 -16.922 2.171 194 HB3 PHE 24 HB3 PHE 24 -1.321 -18.547 1.510 195 HD1 PHE 24 HD1 PHE 24 1.400 -15.922 1.409 196 HD2 PHE 24 HD2 PHE 24 0.240 -19.917 2.482 197 HE1 PHE 24 HE1 PHE 24 3.715 -16.416 2.152 198 HE2 PHE 24 HE2 PHE 24 2.459 -20.378 3.293 199 HZ PHE 24 HZ PHE 24 4.342 -18.591 3.042 200 H TYR 25 H TYR 25 -0.885 -19.508 -0.751 201 HA TYR 25 HA TYR 25 1.654 -19.822 -1.961 202 HB2 TYR 25 HB2 TYR 25 -0.915 -21.313 -2.108 203 HB3 TYR 25 HB3 TYR 25 0.242 -21.545 -3.387 204 HD1 TYR 25 HD1 TYR 25 1.613 -20.987 0.061 205 HD2 TYR 25 HD2 TYR 25 0.420 -23.875 -2.913 206 HE1 TYR 25 HE1 TYR 25 2.780 -22.792 1.315 207 HE2 TYR 25 HE2 TYR 25 1.591 -25.683 -1.625 208 HH TYR 25 HH TYR 25 3.125 -25.137 1.523 209 H LYS 26 H LYS 26 -1.362 -18.567 -3.459 210 HA LYS 26 HA LYS 26 -0.598 -18.136 -6.066 211 HB2 LYS 26 HB2 LYS 26 -2.754 -17.665 -5.504 212 HB3 LYS 26 HB3 LYS 26 -2.344 -16.721 -4.090 213 HG2 LYS 26 HG2 LYS 26 -1.876 -15.599 -6.870 214 HG3 LYS 26 HG3 LYS 26 -3.461 -15.588 -6.099 215 HD2 LYS 26 HD2 LYS 26 -2.497 -14.428 -4.108 216 HD3 LYS 26 HD3 LYS 26 -0.969 -14.261 -4.954 217 HE2 LYS 26 HE2 LYS 26 -3.650 -13.170 -5.916 218 HE3 LYS 26 HE3 LYS 26 -2.479 -12.246 -4.974 219 HZ1 LYS 26 HZ3 LYS 26 -0.894 -12.464 -6.764 220 HZ2 LYS 26 HZ1 LYS 26 -1.915 -13.399 -7.647 221 HZ3 LYS 26 HZ2 LYS 26 -2.280 -11.822 -7.358 222 H THR 27 H THR 27 0.809 -16.355 -3.386 223 HA THR 27 HA THR 27 2.474 -14.742 -5.260 224 HB THR 27 HB THR 27 2.629 -13.623 -2.650 225 HG1 THR 27 HG1 THR 27 0.540 -13.441 -1.996 226 HG21 THR 27 HG23 THR 27 2.547 -12.378 -4.767 227 HG22 THR 27 HG21 THR 27 0.872 -12.921 -5.031 228 HG23 THR 27 HG22 THR 27 1.259 -11.816 -3.682 229 H LEU 28 H LEU 28 2.584 -16.408 -2.091 230 HA LEU 28 HA LEU 28 5.194 -16.423 -1.325 231 HB2 LEU 28 HB2 LEU 28 3.344 -17.439 -0.242 232 HB3 LEU 28 HB3 LEU 28 3.227 -18.693 -1.449 233 HG LEU 28 HG LEU 28 4.197 -19.331 0.673 234 HD11 LEU 28 HD11 LEU 28 6.155 -19.858 -1.522 235 HD12 LEU 28 HD12 LEU 28 5.849 -20.831 -0.092 236 HD13 LEU 28 HD13 LEU 28 4.591 -20.682 -1.326 237 HD21 LEU 28 HD23 LEU 28 6.606 -17.690 -0.110 238 HD22 LEU 28 HD21 LEU 28 5.503 -17.309 1.189 239 HD23 LEU 28 HD22 LEU 28 6.489 -18.769 1.298 240 H ARG 29 H ARG 29 3.885 -18.577 -3.862 241 HA ARG 29 HA ARG 29 6.281 -19.989 -4.353 242 HB2 ARG 29 HB2 ARG 29 5.142 -20.882 -6.345 243 HB3 ARG 29 HB3 ARG 29 4.107 -20.854 -4.928 244 HG2 ARG 29 HG2 ARG 29 2.637 -20.069 -6.456 245 HG3 ARG 29 HG3 ARG 29 3.304 -18.526 -5.921 246 HD2 ARG 29 HD2 ARG 29 4.783 -18.479 -7.920 247 HD3 ARG 29 HD3 ARG 29 3.993 -19.952 -8.502 248 HE ARG 29 HE ARG 29 2.880 -17.227 -8.356 249 HH11 ARG 29 HH11 ARG 29 2.024 -20.569 -8.807 250 HH12 ARG 29 HH12 ARG 29 0.335 -20.245 -9.036 251 HH21 ARG 29 HH21 ARG 29 0.672 -16.891 -8.381 252 HH22 ARG 29 HH22 ARG 29 -0.367 -18.140 -9.041 253 H ALA 30 H ALA 30 5.831 -16.726 -5.233 254 HA ALA 30 HA ALA 30 7.506 -16.916 -7.652 255 HB1 ALA 30 HB3 ALA 30 5.733 -15.161 -7.427 256 HB2 ALA 30 HB1 ALA 30 6.578 -14.503 -6.004 257 HB3 ALA 30 HB2 ALA 30 7.348 -14.443 -7.601 258 H GLU 31 H GLU 31 8.014 -16.606 -4.198 259 HA GLU 31 HA GLU 31 10.927 -16.033 -4.606 260 HB2 GLU 31 HB2 GLU 31 9.326 -16.382 -2.049 261 HB3 GLU 31 HB3 GLU 31 10.956 -15.727 -2.197 262 HG2 GLU 31 HG2 GLU 31 10.074 -13.733 -3.349 263 HG3 GLU 31 HG3 GLU 31 8.432 -14.395 -3.279 264 H GLN 32 H GLN 32 8.643 -18.358 -3.179 265 HA GLN 32 HA GLN 32 10.743 -20.469 -3.109 266 HB2 GLN 32 HB2 GLN 32 10.002 -21.006 -0.775 267 HB3 GLN 32 HB3 GLN 32 10.913 -19.527 -1.013 268 HG2 GLN 32 HG2 GLN 32 8.463 -18.407 -1.015 269 HG3 GLN 32 HG3 GLN 32 8.074 -19.838 -0.071 270 HE21 GLN 32 HE22 GLN 32 9.236 -16.583 0.200 271 HE22 GLN 32 HE21 GLN 32 9.890 -16.806 1.780 272 H ALA 33 H ALA 33 9.616 -21.021 -5.050 273 HA ALA 33 HA ALA 33 6.955 -21.792 -5.322 274 HB1 ALA 33 HB3 ALA 33 8.558 -21.227 -7.126 275 HB2 ALA 33 HB1 ALA 33 9.382 -22.784 -6.851 276 HB3 ALA 33 HB2 ALA 33 7.702 -22.750 -7.431 277 H SER 34 H SER 34 8.352 -23.228 -3.006 278 HA SER 34 HA SER 34 8.386 -26.049 -3.450 279 HB2 SER 34 HB2 SER 34 8.244 -24.467 -0.856 280 HB3 SER 34 HB3 SER 34 8.810 -26.136 -1.073 281 HG SER 34 HG SER 34 10.566 -24.795 -1.001 282 H GLN 35 H GLN 35 5.872 -25.361 -4.357 283 HA GLN 35 HA GLN 35 3.675 -25.429 -2.614 284 HB2 GLN 35 HB2 GLN 35 3.782 -24.951 -5.095 285 HB3 GLN 35 HB3 GLN 35 3.985 -26.679 -5.378 286 HG2 GLN 35 HG2 GLN 35 1.679 -27.003 -4.291 287 HG3 GLN 35 HG3 GLN 35 1.519 -25.245 -4.331 288 HE21 GLN 35 HE22 GLN 35 0.740 -28.036 -6.023 289 HE22 GLN 35 HE21 GLN 35 0.628 -27.303 -7.625 290 H GLU 36 H GLU 36 5.805 -27.981 -3.263 291 HA GLU 36 HA GLU 36 4.156 -30.323 -2.672 292 HB2 GLU 36 HB2 GLU 36 6.255 -30.041 -4.181 293 HB3 GLU 36 HB3 GLU 36 7.178 -29.954 -2.679 294 HG2 GLU 36 HG2 GLU 36 6.280 -32.202 -2.090 295 HG3 GLU 36 HG3 GLU 36 5.468 -32.270 -3.661 296 H VAL 37 H VAL 37 5.084 -31.801 -0.920 297 HA VAL 37 HA VAL 37 4.963 -30.837 1.748 298 HB VAL 37 HB VAL 37 4.873 -33.203 0.829 299 HG11 VAL 37 HG11 VAL 37 7.874 -33.219 1.255 300 HG12 VAL 37 HG12 VAL 37 6.840 -34.598 0.854 301 HG13 VAL 37 HG13 VAL 37 7.065 -33.302 -0.323 302 HG21 VAL 37 HG23 VAL 37 6.549 -32.795 3.340 303 HG22 VAL 37 HG21 VAL 37 4.787 -32.645 3.261 304 HG23 VAL 37 HG22 VAL 37 5.553 -34.212 2.948 305 H LYS 38 H LYS 38 7.528 -30.727 -0.506 306 HA LYS 38 HA LYS 38 9.772 -29.961 1.133 307 HB2 LYS 38 HB2 LYS 38 9.057 -29.065 -1.696 308 HB3 LYS 38 HB3 LYS 38 10.619 -28.825 -0.924 309 HG2 LYS 38 HG2 LYS 38 10.936 -31.280 -0.739 310 HG3 LYS 38 HG3 LYS 38 9.409 -31.525 -1.611 311 HD2 LYS 38 HD2 LYS 38 10.315 -30.243 -3.551 312 HD3 LYS 38 HD3 LYS 38 11.800 -29.938 -2.650 313 HE2 LYS 38 HE2 LYS 38 12.360 -31.657 -4.124 314 HE3 LYS 38 HE3 LYS 38 12.170 -32.453 -2.552 315 HZ1 LYS 38 HZ3 LYS 38 9.952 -33.195 -3.278 316 HZ2 LYS 38 HZ1 LYS 38 9.968 -32.335 -4.560 317 HZ3 LYS 38 HZ2 LYS 38 11.012 -33.626 -4.469 318 H ASN 39 H ASN 39 6.903 -28.314 1.183 319 HA ASN 39 HA ASN 39 7.510 -25.582 1.316 320 HB2 ASN 39 HB2 ASN 39 5.295 -26.793 1.388 321 HB3 ASN 39 HB3 ASN 39 5.623 -27.101 3.103 322 HD21 ASN 39 HD22 ASN 39 3.814 -25.887 3.586 323 HD22 ASN 39 HD21 ASN 39 3.878 -24.144 3.563 324 H ALA 40 H ALA 40 7.606 -24.251 3.473 325 HA ALA 40 HA ALA 40 9.834 -25.415 5.129 326 HB1 ALA 40 HB3 ALA 40 10.577 -24.074 3.166 327 HB2 ALA 40 HB1 ALA 40 9.726 -22.667 3.835 328 HB3 ALA 40 HB2 ALA 40 11.101 -23.381 4.701 329 H MET 41 H MET 41 10.595 -23.339 6.618 330 HA MET 41 HA MET 41 8.425 -22.989 8.608 331 HB2 MET 41 HB2 MET 41 10.439 -22.527 10.139 332 HB3 MET 41 HB3 MET 41 10.139 -24.166 9.602 333 HG2 MET 41 HG2 MET 41 12.545 -23.431 9.591 334 HG3 MET 41 HG3 MET 41 11.950 -24.198 8.128 335 HE1 MET 41 HE3 MET 41 14.716 -22.663 8.343 336 HE2 MET 41 HE1 MET 41 14.143 -23.442 6.847 337 HE3 MET 41 HE2 MET 41 14.724 -21.761 6.810 338 H THR 42 H THR 42 9.026 -21.218 6.159 339 HA THR 42 HA THR 42 9.412 -18.527 7.189 340 HB THR 42 HB THR 42 7.899 -18.786 4.635 341 HG1 THR 42 HG1 THR 42 9.688 -19.709 3.512 342 HG21 THR 42 HG23 THR 42 9.490 -16.926 5.493 343 HG22 THR 42 HG21 THR 42 10.824 -18.026 5.103 344 HG23 THR 42 HG22 THR 42 9.718 -17.453 3.823 345 H GLU 43 H GLU 43 7.199 -17.140 6.046 346 HA GLU 43 HA GLU 43 4.918 -17.738 7.720 347 HB2 GLU 43 HB2 GLU 43 3.722 -16.248 6.169 348 HB3 GLU 43 HB3 GLU 43 5.199 -15.545 6.831 349 HG2 GLU 43 HG2 GLU 43 5.610 -16.969 4.252 350 HG3 GLU 43 HG3 GLU 43 4.453 -15.629 4.140 351 H THR 44 H THR 44 6.080 -19.556 5.368 352 HA THR 44 HA THR 44 4.335 -20.736 3.654 353 HB THR 44 HB THR 44 5.794 -22.773 4.237 354 HG1 THR 44 HG1 THR 44 6.934 -22.461 5.889 355 HG21 THR 44 HG23 THR 44 6.075 -21.361 2.244 356 HG22 THR 44 HG21 THR 44 6.904 -20.131 3.214 357 HG23 THR 44 HG22 THR 44 7.648 -21.724 2.968 358 H LEU 45 H LEU 45 3.146 -20.460 6.617 359 HA LEU 45 HA LEU 45 2.859 -22.849 7.864 360 HB2 LEU 45 HB2 LEU 45 0.560 -21.667 8.682 361 HB3 LEU 45 HB3 LEU 45 2.170 -21.417 9.292 362 HG LEU 45 HG LEU 45 2.420 -19.349 8.124 363 HD11 LEU 45 HD11 LEU 45 -0.445 -19.540 7.070 364 HD12 LEU 45 HD12 LEU 45 0.698 -18.223 6.839 365 HD13 LEU 45 HD13 LEU 45 0.981 -19.754 6.058 366 HD21 LEU 45 HD23 LEU 45 -0.243 -19.578 9.551 367 HD22 LEU 45 HD21 LEU 45 1.359 -19.410 10.308 368 HD23 LEU 45 HD22 LEU 45 0.709 -18.089 9.325 369 H LEU 46 H LEU 46 1.401 -22.912 4.864 370 HA LEU 46 HA LEU 46 -0.256 -25.155 5.536 371 HB2 LEU 46 HB2 LEU 46 -2.391 -24.059 4.522 372 HB3 LEU 46 HB3 LEU 46 -2.031 -23.993 6.202 373 HG LEU 46 HG LEU 46 -3.002 -21.958 4.885 374 HD11 LEU 46 HD11 LEU 46 -1.118 -21.688 7.165 375 HD12 LEU 46 HD12 LEU 46 -2.329 -20.484 6.619 376 HD13 LEU 46 HD13 LEU 46 -2.844 -22.051 7.214 377 HD21 LEU 46 HD23 LEU 46 -0.123 -21.063 4.834 378 HD22 LEU 46 HD21 LEU 46 -0.900 -21.716 3.421 379 HD23 LEU 46 HD22 LEU 46 -1.555 -20.250 4.190 380 H VAL 47 H VAL 47 -1.545 -25.953 3.569 381 HA VAL 47 HA VAL 47 0.024 -25.647 1.067 382 HB VAL 47 HB VAL 47 -0.799 -28.288 2.350 383 HG11 VAL 47 HG11 VAL 47 1.217 -27.670 0.152 384 HG12 VAL 47 HG12 VAL 47 0.811 -29.274 0.782 385 HG13 VAL 47 HG13 VAL 47 -0.406 -28.341 -0.103 386 HG21 VAL 47 HG23 VAL 47 1.931 -26.957 2.493 387 HG22 VAL 47 HG21 VAL 47 0.827 -27.287 3.850 388 HG23 VAL 47 HG22 VAL 47 1.560 -28.628 2.972 389 H GLN 48 H GLN 48 -1.282 -25.543 -0.701 390 HA GLN 48 HA GLN 48 -4.048 -25.408 -0.763 391 HB2 GLN 48 HB2 GLN 48 -2.093 -26.179 -2.946 392 HB3 GLN 48 HB3 GLN 48 -3.824 -25.973 -3.237 393 HG2 GLN 48 HG2 GLN 48 -3.752 -23.673 -2.393 394 HG3 GLN 48 HG3 GLN 48 -2.037 -23.836 -2.046 395 HE21 GLN 48 HE22 GLN 48 -4.408 -23.219 -4.607 396 HE22 GLN 48 HE21 GLN 48 -3.202 -23.145 -5.902 397 H ASN 49 H ASN 49 -2.119 -28.277 -1.143 398 HA ASN 49 HA ASN 49 -4.022 -30.252 -1.854 399 HB2 ASN 49 HB2 ASN 49 -1.503 -30.284 -2.054 400 HB3 ASN 49 HB3 ASN 49 -1.397 -30.459 -0.304 401 HD21 ASN 49 HD22 ASN 49 -1.373 -32.522 0.462 402 HD22 ASN 49 HD21 ASN 49 -1.786 -33.900 -0.550 403 H ALA 50 H ALA 50 -4.459 -28.505 0.877 404 HA ALA 50 HA ALA 50 -4.554 -30.438 2.971 405 HB1 ALA 50 HB3 ALA 50 -4.398 -28.041 3.384 406 HB2 ALA 50 HB1 ALA 50 -5.990 -27.771 2.636 407 HB3 ALA 50 HB2 ALA 50 -5.839 -28.698 4.160 408 H ASN 51 H ASN 51 -6.182 -31.645 3.811 409 HA ASN 51 HA ASN 51 -8.253 -32.507 1.840 410 HB2 ASN 51 HB2 ASN 51 -7.844 -34.716 2.557 411 HB3 ASN 51 HB3 ASN 51 -6.251 -34.006 2.495 412 HD21 ASN 51 HD22 ASN 51 -6.478 -36.281 4.009 413 HD22 ASN 51 HD21 ASN 51 -6.584 -35.884 5.705 414 HA PRO 52 HA PRO 52 -11.398 -31.443 4.806 415 HB2 PRO 52 HB2 PRO 52 -12.907 -33.583 5.623 416 HB3 PRO 52 HB3 PRO 52 -12.997 -32.863 3.991 417 HG2 PRO 52 HG2 PRO 52 -11.485 -35.329 4.863 418 HG3 PRO 52 HG3 PRO 52 -12.485 -35.099 3.398 419 HD2 PRO 52 HD2 PRO 52 -9.759 -34.920 3.412 420 HD3 PRO 52 HD3 PRO 52 -10.761 -33.939 2.295 421 H ASP 53 H ASP 53 -9.820 -34.374 5.976 422 HA ASP 53 HA ASP 53 -10.299 -34.328 8.707 423 HB2 ASP 53 HB2 ASP 53 -9.533 -36.193 7.346 424 HB3 ASP 53 HB3 ASP 53 -8.018 -35.377 7.002 425 H CYS 54 H CYS 54 -7.229 -33.195 7.172 426 HA CYS 54 HA CYS 54 -5.918 -32.113 9.348 427 HB2 CYS 54 HB2 CYS 54 -4.550 -31.762 7.590 428 HB3 CYS 54 HB3 CYS 54 -5.912 -31.728 6.442 429 HG CYS 54 HG CYS 54 -4.326 -29.372 8.035 430 H LYS 55 H LYS 55 -8.274 -30.299 7.367 431 HA LYS 55 HA LYS 55 -8.044 -27.904 8.931 432 HB2 LYS 55 HB2 LYS 55 -10.191 -29.011 7.132 433 HB3 LYS 55 HB3 LYS 55 -10.399 -27.492 8.000 434 HG2 LYS 55 HG2 LYS 55 -9.425 -26.461 6.233 435 HG3 LYS 55 HG3 LYS 55 -7.922 -27.019 6.929 436 HD2 LYS 55 HD2 LYS 55 -7.821 -27.475 4.613 437 HD3 LYS 55 HD3 LYS 55 -8.035 -29.052 5.367 438 HE2 LYS 55 HE2 LYS 55 -10.502 -28.883 4.909 439 HE3 LYS 55 HE3 LYS 55 -10.262 -27.277 4.191 440 HZ1 LYS 55 HZ3 LYS 55 -8.827 -28.419 2.487 441 HZ2 LYS 55 HZ1 LYS 55 -9.151 -29.825 3.209 442 HZ3 LYS 55 HZ2 LYS 55 -10.375 -28.999 2.480 443 H THR 56 H THR 56 -10.365 -30.606 9.290 444 HA THR 56 HA THR 56 -11.836 -29.585 11.501 445 HB THR 56 HB THR 56 -11.146 -32.477 10.848 446 HG1 THR 56 HG1 THR 56 -12.970 -32.409 9.625 447 HG21 THR 56 HG23 THR 56 -12.276 -32.347 13.010 448 HG22 THR 56 HG21 THR 56 -13.503 -31.248 12.339 449 HG23 THR 56 HG22 THR 56 -13.411 -32.943 11.800 450 H ILE 57 H ILE 57 -8.589 -30.740 11.312 451 HA ILE 57 HA ILE 57 -8.484 -31.302 14.264 452 HB ILE 57 HB ILE 57 -6.493 -31.952 12.088 453 HG12 ILE 57 HG12 ILE 57 -8.072 -33.916 13.795 454 HG13 ILE 57 HG13 ILE 57 -8.799 -33.242 12.345 455 HG21 ILE 57 HG21 ILE 57 -6.465 -32.566 15.087 456 HG22 ILE 57 HG22 ILE 57 -5.385 -33.322 13.907 457 HG23 ILE 57 HG23 ILE 57 -5.274 -31.595 14.193 458 HD11 ILE 57 HD13 ILE 57 -6.906 -33.981 10.979 459 HD12 ILE 57 HD11 ILE 57 -6.174 -34.772 12.395 460 HD13 ILE 57 HD12 ILE 57 -7.740 -35.334 11.781 461 H LEU 58 H LEU 58 -6.230 -29.562 11.920 462 HA LEU 58 HA LEU 58 -4.850 -28.260 13.993 463 HB2 LEU 58 HB2 LEU 58 -5.317 -27.117 11.206 464 HB3 LEU 58 HB3 LEU 58 -4.100 -26.628 12.378 465 HG LEU 58 HG LEU 58 -3.352 -29.136 12.300 466 HD11 LEU 58 HD11 LEU 58 -5.027 -28.879 9.857 467 HD12 LEU 58 HD12 LEU 58 -3.562 -29.920 9.787 468 HD13 LEU 58 HD13 LEU 58 -4.794 -30.262 10.978 469 HD21 LEU 58 HD23 LEU 58 -2.874 -26.928 10.313 470 HD22 LEU 58 HD21 LEU 58 -1.788 -27.561 11.574 471 HD23 LEU 58 HD22 LEU 58 -2.019 -28.460 10.061 472 H LYS 59 H LYS 59 -7.981 -27.494 12.665 473 HA LYS 59 HA LYS 59 -8.541 -24.952 13.671 474 HB2 LYS 59 HB2 LYS 59 -10.094 -27.496 13.437 475 HB3 LYS 59 HB3 LYS 59 -10.812 -26.217 14.418 476 HG2 LYS 59 HG2 LYS 59 -9.668 -25.520 11.715 477 HG3 LYS 59 HG3 LYS 59 -11.248 -26.284 11.820 478 HD2 LYS 59 HD2 LYS 59 -12.248 -24.430 12.838 479 HD3 LYS 59 HD3 LYS 59 -10.756 -23.928 13.639 480 HE2 LYS 59 HE2 LYS 59 -11.388 -22.329 11.869 481 HE3 LYS 59 HE3 LYS 59 -9.804 -23.080 11.636 482 HZ1 LYS 59 HZ3 LYS 59 -10.939 -24.675 10.135 483 HZ2 LYS 59 HZ1 LYS 59 -12.265 -23.687 10.134 484 HZ3 LYS 59 HZ2 LYS 59 -10.788 -23.138 9.580 485 H ALA 60 H ALA 60 -7.980 -27.764 15.633 486 HA ALA 60 HA ALA 60 -7.980 -26.006 18.069 487 HB1 ALA 60 HB3 ALA 60 -9.687 -27.771 18.190 488 HB2 ALA 60 HB1 ALA 60 -8.452 -29.010 17.870 489 HB3 ALA 60 HB2 ALA 60 -8.392 -28.058 19.371 490 H LEU 61 H LEU 61 -6.026 -28.019 15.975 491 HA LEU 61 HA LEU 61 -3.865 -28.142 17.987 492 HB2 LEU 61 HB2 LEU 61 -4.818 -30.074 16.192 493 HB3 LEU 61 HB3 LEU 61 -3.354 -29.509 15.422 494 HG LEU 61 HG LEU 61 -2.210 -29.777 17.753 495 HD11 LEU 61 HD11 LEU 61 -4.655 -31.549 18.198 496 HD12 LEU 61 HD12 LEU 61 -3.237 -31.422 19.260 497 HD13 LEU 61 HD13 LEU 61 -4.325 -30.040 19.069 498 HD21 LEU 61 HD23 LEU 61 -3.174 -32.243 16.265 499 HD22 LEU 61 HD21 LEU 61 -1.709 -31.300 15.933 500 HD23 LEU 61 HD22 LEU 61 -1.845 -32.206 17.446 501 H GLY 62 H GLY 62 -4.553 -25.672 16.721 502 HA2 GLY 62 HA2 GLY 62 -2.028 -25.024 15.275 503 HA3 GLY 62 HA3 GLY 62 -3.519 -24.089 15.206 504 HA PRO 63 HA PRO 63 -1.478 -22.330 19.119 505 HB2 PRO 63 HB2 PRO 63 -0.194 -23.766 20.999 506 HB3 PRO 63 HB3 PRO 63 -1.962 -23.929 20.797 507 HG2 PRO 63 HG2 PRO 63 0.190 -25.699 19.559 508 HG3 PRO 63 HG3 PRO 63 -1.208 -26.216 20.568 509 HD2 PRO 63 HD2 PRO 63 -1.237 -26.183 17.853 510 HD3 PRO 63 HD3 PRO 63 -2.706 -25.835 18.830 511 H ALA 64 H ALA 64 -0.232 -22.687 16.617 512 HA ALA 64 HA ALA 64 1.708 -22.675 15.404 513 HB1 ALA 64 HB3 ALA 64 1.409 -20.426 16.375 514 HB2 ALA 64 HB1 ALA 64 2.491 -20.873 17.718 515 HB3 ALA 64 HB2 ALA 64 3.117 -20.805 16.061 516 H ALA 65 H ALA 65 1.840 -25.126 16.822 517 HA ALA 65 HA ALA 65 4.782 -25.479 16.611 518 HB1 ALA 65 HB3 ALA 65 4.422 -25.206 19.021 519 HB2 ALA 65 HB1 ALA 65 3.173 -26.468 19.018 520 HB3 ALA 65 HB2 ALA 65 4.868 -26.880 18.647 521 H THR 66 H THR 66 2.437 -27.993 17.688 522 HA THR 66 HA THR 66 3.344 -29.917 15.989 523 HB THR 66 HB THR 66 0.387 -29.853 16.579 524 HG1 THR 66 HG1 THR 66 1.082 -30.630 18.699 525 HG21 THR 66 HG23 THR 66 1.384 -31.899 15.556 526 HG22 THR 66 HG21 THR 66 2.540 -31.996 16.893 527 HG23 THR 66 HG22 THR 66 0.799 -32.213 17.197 528 H LEU 67 H LEU 67 1.391 -27.317 14.958 529 HA LEU 67 HA LEU 67 0.166 -28.057 12.577 530 HB2 LEU 67 HB2 LEU 67 0.267 -25.919 13.791 531 HB3 LEU 67 HB3 LEU 67 1.868 -25.630 13.157 532 HG LEU 67 HG LEU 67 -0.831 -25.412 11.756 533 HD11 LEU 67 HD11 LEU 67 1.783 -23.845 11.695 534 HD12 LEU 67 HD12 LEU 67 0.230 -23.330 10.989 535 HD13 LEU 67 HD13 LEU 67 0.408 -23.463 12.755 536 HD21 LEU 67 HD23 LEU 67 1.699 -25.960 10.249 537 HD22 LEU 67 HD21 LEU 67 0.167 -26.908 10.294 538 HD23 LEU 67 HD22 LEU 67 0.205 -25.271 9.608 539 H GLU 68 H GLU 68 3.631 -27.262 13.070 540 HA GLU 68 HA GLU 68 4.650 -27.372 10.506 541 HB2 GLU 68 HB2 GLU 68 5.836 -28.632 13.046 542 HB3 GLU 68 HB3 GLU 68 6.731 -28.380 11.521 543 HG2 GLU 68 HG2 GLU 68 5.967 -25.940 11.715 544 HG3 GLU 68 HG3 GLU 68 5.480 -26.379 13.353 545 H GLU 69 H GLU 69 3.756 -30.255 12.343 546 HA GLU 69 HA GLU 69 4.400 -31.933 9.954 547 HB2 GLU 69 HB2 GLU 69 3.841 -33.808 11.121 548 HB3 GLU 69 HB3 GLU 69 4.581 -32.785 12.329 549 HG2 GLU 69 HG2 GLU 69 2.812 -33.187 13.649 550 HG3 GLU 69 HG3 GLU 69 1.846 -32.187 12.612 551 H MET 70 H MET 70 1.477 -30.598 11.495 552 HA MET 70 HA MET 70 -0.454 -32.098 10.033 553 HB2 MET 70 HB2 MET 70 -0.673 -29.467 11.363 554 HB3 MET 70 HB3 MET 70 -1.992 -30.589 10.945 555 HG2 MET 70 HG2 MET 70 -0.186 -31.896 12.667 556 HG3 MET 70 HG3 MET 70 -0.549 -30.267 13.295 557 HE1 MET 70 HE3 MET 70 -2.518 -32.978 11.209 558 HE2 MET 70 HE1 MET 70 -1.861 -33.923 12.559 559 HE3 MET 70 HE2 MET 70 -3.613 -33.675 12.420 560 H MET 71 H MET 71 1.232 -29.258 9.290 561 HA MET 71 HA MET 71 -0.018 -27.752 7.338 562 HB2 MET 71 HB2 MET 71 2.263 -27.347 8.159 563 HB3 MET 71 HB3 MET 71 2.821 -28.879 7.518 564 HG2 MET 71 HG2 MET 71 2.376 -28.092 5.198 565 HG3 MET 71 HG3 MET 71 1.880 -26.533 5.820 566 HE1 MET 71 HE3 MET 71 3.589 -24.786 6.875 567 HE2 MET 71 HE1 MET 71 4.123 -25.960 8.108 568 HE3 MET 71 HE2 MET 71 5.319 -25.105 7.120 569 H THR 72 H THR 72 1.557 -30.880 6.920 570 HA THR 72 HA THR 72 0.020 -31.391 4.412 571 HB THR 72 HB THR 72 2.689 -32.569 4.625 572 HG1 THR 72 HG1 THR 72 3.376 -30.506 5.122 573 HG21 THR 72 HG23 THR 72 1.270 -32.864 2.608 574 HG22 THR 72 HG21 THR 72 1.235 -31.104 2.375 575 HG23 THR 72 HG22 THR 72 2.754 -31.994 2.186 576 H ALA 73 H ALA 73 1.007 -32.739 7.528 577 HA ALA 73 HA ALA 73 1.528 -35.378 6.753 578 HB1 ALA 73 HB3 ALA 73 1.928 -34.544 9.013 579 HB2 ALA 73 HB1 ALA 73 0.178 -34.347 9.271 580 HB3 ALA 73 HB2 ALA 73 0.883 -35.964 9.089 581 H CYS 74 H CYS 74 -1.524 -33.775 6.963 582 HA CYS 74 HA CYS 74 -3.340 -35.984 7.084 583 HB2 CYS 74 HB2 CYS 74 -4.954 -34.423 6.267 584 HB3 CYS 74 HB3 CYS 74 -3.910 -33.655 7.453 585 HG CYS 74 HG CYS 74 -2.549 -32.180 5.899 586 H GLN 75 H GLN 75 -1.293 -34.999 4.453 587 HA GLN 75 HA GLN 75 -2.816 -35.989 2.252 588 HB2 GLN 75 HB2 GLN 75 -0.891 -35.652 0.997 589 HB3 GLN 75 HB3 GLN 75 -0.843 -34.422 2.269 590 HG2 GLN 75 HG2 GLN 75 1.382 -35.154 2.082 591 HG3 GLN 75 HG3 GLN 75 0.770 -35.948 3.537 592 HE21 GLN 75 HE22 GLN 75 0.915 -36.726 -0.050 593 HE22 GLN 75 HE21 GLN 75 1.379 -38.392 0.312 594 H GLY 76 H GLY 76 -0.947 -37.692 4.679 595 HA2 GLY 76 HA2 GLY 76 -1.019 -40.225 3.107 596 HA3 GLY 76 HA3 GLY 76 -0.005 -39.868 4.512 597 H VAL 77 H VAL 77 -3.135 -38.745 5.050 598 HA VAL 77 HA VAL 77 -3.646 -40.945 6.977 599 HB VAL 77 HB VAL 77 -5.062 -38.293 6.532 600 HG11 VAL 77 HG11 VAL 77 -5.475 -40.357 8.737 601 HG12 VAL 77 HG12 VAL 77 -6.089 -38.690 8.766 602 HG13 VAL 77 HG13 VAL 77 -6.683 -39.815 7.549 603 HG21 VAL 77 HG23 VAL 77 -3.172 -39.273 8.726 604 HG22 VAL 77 HG21 VAL 77 -2.737 -38.128 7.448 605 HG23 VAL 77 HG22 VAL 77 -3.952 -37.682 8.659 606 H GLY 78 H GLY 78 -4.856 -40.044 3.811 607 HA2 GLY 78 HA2 GLY 78 -6.240 -42.508 3.541 608 HA3 GLY 78 HA3 GLY 78 -7.426 -41.245 3.867 609 H GLY 79 H GLY 79 -7.639 -42.576 1.547 610 HA2 GLY 79 HA2 GLY 79 -6.309 -40.996 -0.624 611 HA3 GLY 79 HA3 GLY 79 -6.761 -42.687 -0.700 612 HA PRO 80 HA PRO 80 -10.900 -40.275 -1.390 613 HB2 PRO 80 HB2 PRO 80 -10.959 -37.561 -1.493 614 HB3 PRO 80 HB3 PRO 80 -10.879 -38.442 0.057 615 HG2 PRO 80 HG2 PRO 80 -8.549 -37.265 -1.505 616 HG3 PRO 80 HG3 PRO 80 -8.966 -36.995 0.221 617 HD2 PRO 80 HD2 PRO 80 -7.147 -38.878 -0.556 618 HD3 PRO 80 HD3 PRO 80 -8.243 -39.145 0.831 619 H GLY 81 H GLY 81 -9.445 -41.409 -3.200 620 HA2 GLY 81 HA2 GLY 81 -9.322 -41.662 -5.551 621 HA3 GLY 81 HA3 GLY 81 -9.659 -39.942 -5.773 622 H HIS 82 H HIS 82 -7.591 -41.076 -7.192 623 HA HIS 82 HA HIS 82 -5.000 -40.555 -6.014 624 HB2 HIS 82 HB2 HIS 82 -4.196 -40.744 -8.353 625 HB3 HIS 82 HB3 HIS 82 -5.149 -42.100 -7.787 626 HD2 HIS 82 HD2 HIS 82 -7.044 -39.006 -9.155 627 HE1 HIS 82 HE1 HIS 82 -7.281 -42.085 -12.092 628 HE2 HIS 82 HE2 HIS 82 -8.089 -39.749 -11.446 629 H LYS 83 H LYS 83 -6.551 -38.413 -5.341 630 HA LYS 83 HA LYS 83 -6.551 -36.196 -7.144 631 HB2 LYS 83 HB2 LYS 83 -8.073 -36.725 -5.182 632 HB3 LYS 83 HB3 LYS 83 -6.798 -36.143 -4.106 633 HG2 LYS 83 HG2 LYS 83 -6.925 -33.913 -5.032 634 HG3 LYS 83 HG3 LYS 83 -7.941 -34.447 -6.378 635 HD2 LYS 83 HD2 LYS 83 -8.788 -34.522 -3.451 636 HD3 LYS 83 HD3 LYS 83 -9.157 -33.209 -4.583 637 HE2 LYS 83 HE2 LYS 83 -10.305 -34.839 -6.088 638 HE3 LYS 83 HE3 LYS 83 -10.027 -36.126 -4.904 639 HZ1 LYS 83 HZ3 LYS 83 -11.351 -34.900 -3.319 640 HZ2 LYS 83 HZ1 LYS 83 -11.587 -33.661 -4.383 641 HZ3 LYS 83 HZ2 LYS 83 -12.233 -35.150 -4.681 642 H ALA 84 H ALA 84 -3.969 -37.359 -5.166 643 HA ALA 84 HA ALA 84 -2.403 -34.878 -5.326 644 HB1 ALA 84 HB3 ALA 84 -2.210 -36.481 -3.427 645 HB2 ALA 84 HB1 ALA 84 -1.598 -37.723 -4.550 646 HB3 ALA 84 HB2 ALA 84 -0.671 -36.236 -4.262 647 H ARG 85 H ARG 85 -3.432 -36.651 -7.799 648 HA ARG 85 HA ARG 85 -0.952 -36.421 -9.392 649 HB2 ARG 85 HB2 ARG 85 -1.426 -38.795 -8.296 650 HB3 ARG 85 HB3 ARG 85 -2.640 -38.943 -9.574 651 HG2 ARG 85 HG2 ARG 85 -0.773 -38.429 -11.250 652 HG3 ARG 85 HG3 ARG 85 0.351 -38.417 -9.881 653 HD2 ARG 85 HD2 ARG 85 -0.498 -40.800 -9.372 654 HD3 ARG 85 HD3 ARG 85 -1.276 -40.743 -10.966 655 HE ARG 85 HE ARG 85 1.615 -40.097 -10.765 656 HH11 ARG 85 HH11 ARG 85 -0.675 -42.566 -11.811 657 HH12 ARG 85 HH12 ARG 85 0.541 -43.408 -12.721 658 HH21 ARG 85 HH21 ARG 85 3.071 -41.232 -11.924 659 HH22 ARG 85 HH22 ARG 85 2.600 -42.673 -12.772 660 H VAL 86 H VAL 86 -3.103 -34.697 -9.379 661 HA VAL 86 HA VAL 86 -4.158 -34.954 -12.136 662 HB VAL 86 HB VAL 86 -6.341 -34.165 -11.563 663 HG11 VAL 86 HG11 VAL 86 -5.737 -36.473 -9.690 664 HG12 VAL 86 HG12 VAL 86 -7.292 -36.059 -10.445 665 HG13 VAL 86 HG13 VAL 86 -5.937 -36.616 -11.449 666 HG21 VAL 86 HG23 VAL 86 -5.457 -34.128 -8.660 667 HG22 VAL 86 HG21 VAL 86 -5.923 -32.729 -9.633 668 HG23 VAL 86 HG22 VAL 86 -7.137 -33.940 -9.219 669 H LEU 87 H LEU 87 -5.488 -32.533 -12.276 670 HA LEU 87 HA LEU 87 -3.667 -30.395 -11.455 671 HB2 LEU 87 HB2 LEU 87 -2.915 -31.142 -13.729 672 HB3 LEU 87 HB3 LEU 87 -4.574 -30.962 -14.318 673 HG LEU 87 HG LEU 87 -4.450 -28.506 -13.907 674 HD11 LEU 87 HD11 LEU 87 -1.539 -29.120 -13.214 675 HD12 LEU 87 HD12 LEU 87 -2.208 -27.490 -13.513 676 HD13 LEU 87 HD13 LEU 87 -2.768 -28.431 -12.130 677 HD21 LEU 87 HD23 LEU 87 -2.196 -29.647 -15.605 678 HD22 LEU 87 HD21 LEU 87 -3.898 -29.468 -16.101 679 HD23 LEU 87 HD22 LEU 87 -2.922 -28.028 -15.764 Start of MODEL 29 1 H1 MET 1 H1 MET 1 0.118 -6.108 -10.394 2 H2 MET 1 H2 MET 1 1.105 -4.819 -10.543 3 H3 MET 1 H3 MET 1 -0.079 -5.080 -11.674 4 HA MET 1 HA MET 1 -0.740 -3.303 -10.249 5 HB2 MET 1 HB2 MET 1 -2.362 -5.240 -10.987 6 HB3 MET 1 HB3 MET 1 -2.376 -5.658 -9.270 7 HG2 MET 1 HG2 MET 1 -3.224 -3.389 -8.735 8 HG3 MET 1 HG3 MET 1 -2.967 -2.888 -10.406 9 HE1 MET 1 HE3 MET 1 -4.730 -6.136 -8.766 10 HE2 MET 1 HE1 MET 1 -5.289 -4.705 -7.861 11 HE3 MET 1 HE2 MET 1 -6.413 -5.591 -8.910 12 H SER 2 H SER 2 -1.963 -3.679 -7.589 13 HA SER 2 HA SER 2 0.255 -3.187 -5.921 14 HB2 SER 2 HB2 SER 2 -2.109 -2.551 -5.456 15 HB3 SER 2 HB3 SER 2 -2.492 -4.252 -5.127 16 HG SER 2 HG SER 2 -1.205 -4.177 -3.298 17 HA PRO 3 HA PRO 3 1.281 -7.449 -4.538 18 HB2 PRO 3 HB2 PRO 3 2.804 -6.874 -2.359 19 HB3 PRO 3 HB3 PRO 3 3.415 -6.582 -4.016 20 HG2 PRO 3 HG2 PRO 3 2.132 -4.581 -2.125 21 HG3 PRO 3 HG3 PRO 3 3.667 -4.409 -3.036 22 HD2 PRO 3 HD2 PRO 3 1.294 -3.387 -3.931 23 HD3 PRO 3 HD3 PRO 3 2.525 -4.022 -5.060 24 H THR 4 H THR 4 0.954 -8.507 -2.239 25 HA THR 4 HA THR 4 -0.835 -7.027 -0.448 26 HB THR 4 HB THR 4 -2.615 -8.503 -0.262 27 HG1 THR 4 HG1 THR 4 -1.518 -10.326 -0.296 28 HG21 THR 4 HG23 THR 4 -2.919 -7.200 -2.324 29 HG22 THR 4 HG21 THR 4 -2.148 -8.495 -3.272 30 HG23 THR 4 HG22 THR 4 -3.682 -8.790 -2.419 31 H SER 5 H SER 5 1.775 -7.737 -0.325 32 HA SER 5 HA SER 5 3.530 -8.807 0.694 33 HB2 SER 5 HB2 SER 5 1.849 -7.716 2.949 34 HB3 SER 5 HB3 SER 5 3.608 -7.634 2.782 35 HG SER 5 HG SER 5 1.710 -5.934 1.871 36 H ILE 6 H ILE 6 0.894 -10.662 1.435 37 HA ILE 6 HA ILE 6 0.182 -12.008 2.950 38 HB ILE 6 HB ILE 6 1.950 -13.223 1.574 39 HG12 ILE 6 HG12 ILE 6 0.056 -14.344 2.135 40 HG13 ILE 6 HG13 ILE 6 1.358 -15.347 2.740 41 HG21 ILE 6 HG21 ILE 6 3.206 -13.764 4.255 42 HG22 ILE 6 HG22 ILE 6 3.745 -14.252 2.610 43 HG23 ILE 6 HG23 ILE 6 3.791 -12.547 3.112 44 HD11 ILE 6 HD13 ILE 6 0.818 -14.626 5.068 45 HD12 ILE 6 HD11 ILE 6 -0.411 -13.487 4.446 46 HD13 ILE 6 HD12 ILE 6 -0.662 -15.238 4.291 47 H LEU 7 H LEU 7 1.449 -9.653 4.058 48 HA LEU 7 HA LEU 7 0.477 -10.375 6.780 49 HB2 LEU 7 HB2 LEU 7 2.028 -8.830 7.801 50 HB3 LEU 7 HB3 LEU 7 2.793 -10.142 6.908 51 HG LEU 7 HG LEU 7 3.342 -8.554 5.054 52 HD11 LEU 7 HD11 LEU 7 2.284 -6.426 6.956 53 HD12 LEU 7 HD12 LEU 7 3.305 -6.107 5.532 54 HD13 LEU 7 HD13 LEU 7 1.694 -6.772 5.320 55 HD21 LEU 7 HD23 LEU 7 4.327 -7.722 7.806 56 HD22 LEU 7 HD21 LEU 7 4.948 -9.083 6.840 57 HD23 LEU 7 HD22 LEU 7 5.152 -7.425 6.255 58 H ASP 8 H ASP 8 -0.720 -9.329 4.302 59 HA ASP 8 HA ASP 8 -1.987 -6.739 5.091 60 HB2 ASP 8 HB2 ASP 8 -0.517 -7.824 2.791 61 HB3 ASP 8 HB3 ASP 8 -2.095 -7.343 2.286 62 H ILE 9 H ILE 9 -2.707 -9.920 5.132 63 HA ILE 9 HA ILE 9 -5.486 -9.763 4.103 64 HB ILE 9 HB ILE 9 -5.292 -11.765 2.931 65 HG12 ILE 9 HG12 ILE 9 -2.308 -11.920 3.519 66 HG13 ILE 9 HG13 ILE 9 -3.531 -12.888 4.356 67 HG21 ILE 9 HG21 ILE 9 -2.994 -10.027 1.970 68 HG22 ILE 9 HG22 ILE 9 -4.085 -11.023 0.984 69 HG23 ILE 9 HG23 ILE 9 -4.697 -9.586 1.803 70 HD11 ILE 9 HD13 ILE 9 -4.307 -13.782 2.169 71 HD12 ILE 9 HD11 ILE 9 -2.955 -12.948 1.369 72 HD13 ILE 9 HD12 ILE 9 -2.624 -14.220 2.560 73 H ARG 10 H ARG 10 -6.750 -11.787 4.810 74 HA ARG 10 HA ARG 10 -6.264 -12.452 7.565 75 HB2 ARG 10 HB2 ARG 10 -8.064 -14.051 7.349 76 HB3 ARG 10 HB3 ARG 10 -8.498 -12.539 6.562 77 HG2 ARG 10 HG2 ARG 10 -9.318 -14.081 5.083 78 HG3 ARG 10 HG3 ARG 10 -7.778 -13.729 4.333 79 HD2 ARG 10 HD2 ARG 10 -6.930 -15.833 4.714 80 HD3 ARG 10 HD3 ARG 10 -7.716 -16.012 6.270 81 HE ARG 10 HE ARG 10 -8.708 -16.869 3.670 82 HH11 ARG 10 HH11 ARG 10 -9.760 -16.085 6.898 83 HH12 ARG 10 HH12 ARG 10 -11.197 -17.066 6.792 84 HH21 ARG 10 HH21 ARG 10 -10.455 -18.266 3.635 85 HH22 ARG 10 HH22 ARG 10 -11.563 -18.290 4.970 86 H GLN 11 H GLN 11 -5.515 -14.208 8.548 87 HA GLN 11 HA GLN 11 -4.245 -16.334 6.957 88 HB2 GLN 11 HB2 GLN 11 -2.851 -16.883 8.752 89 HB3 GLN 11 HB3 GLN 11 -2.773 -15.127 8.594 90 HG2 GLN 11 HG2 GLN 11 -4.427 -14.955 10.497 91 HG3 GLN 11 HG3 GLN 11 -4.338 -16.708 10.684 92 HE21 GLN 11 HE22 GLN 11 -1.276 -16.708 10.139 93 HE22 GLN 11 HE21 GLN 11 -0.699 -16.109 11.693 94 H GLY 12 H GLY 12 -4.557 -18.471 7.659 95 HA2 GLY 12 HA2 GLY 12 -6.603 -19.239 9.576 96 HA3 GLY 12 HA3 GLY 12 -7.209 -19.357 7.914 97 HA PRO 13 HA PRO 13 -3.690 -22.677 8.365 98 HB2 PRO 13 HB2 PRO 13 -2.253 -22.901 10.648 99 HB3 PRO 13 HB3 PRO 13 -1.985 -21.589 9.473 100 HG2 PRO 13 HG2 PRO 13 -3.788 -21.487 11.949 101 HG3 PRO 13 HG3 PRO 13 -2.415 -20.390 11.587 102 HD2 PRO 13 HD2 PRO 13 -4.975 -19.798 10.935 103 HD3 PRO 13 HD3 PRO 13 -3.608 -19.344 9.859 104 H LYS 14 H LYS 14 -6.432 -22.816 9.052 105 HA LYS 14 HA LYS 14 -6.441 -25.440 10.492 106 HB2 LYS 14 HB2 LYS 14 -8.512 -23.252 10.742 107 HB3 LYS 14 HB3 LYS 14 -8.713 -24.945 11.233 108 HG2 LYS 14 HG2 LYS 14 -6.623 -24.616 12.685 109 HG3 LYS 14 HG3 LYS 14 -6.874 -22.883 12.447 110 HD2 LYS 14 HD2 LYS 14 -8.852 -24.865 13.689 111 HD3 LYS 14 HD3 LYS 14 -7.831 -23.734 14.551 112 HE2 LYS 14 HE2 LYS 14 -9.898 -22.715 14.603 113 HE3 LYS 14 HE3 LYS 14 -9.062 -21.845 13.313 114 HZ1 LYS 14 HZ3 LYS 14 -10.370 -23.180 11.689 115 HZ2 LYS 14 HZ1 LYS 14 -10.967 -24.111 12.788 116 HZ3 LYS 14 HZ2 LYS 14 -11.420 -22.542 12.766 117 H GLU 15 H GLU 15 -9.500 -24.649 9.346 118 HA GLU 15 HA GLU 15 -9.627 -26.926 7.695 119 HB2 GLU 15 HB2 GLU 15 -11.517 -24.534 7.600 120 HB3 GLU 15 HB3 GLU 15 -11.829 -26.178 7.091 121 HG2 GLU 15 HG2 GLU 15 -12.954 -25.960 9.114 122 HG3 GLU 15 HG3 GLU 15 -11.521 -26.910 9.485 123 HA PRO 16 HA PRO 16 -9.838 -24.320 3.783 124 HB2 PRO 16 HB2 PRO 16 -9.194 -21.689 3.599 125 HB3 PRO 16 HB3 PRO 16 -10.659 -22.228 4.462 126 HG2 PRO 16 HG2 PRO 16 -7.929 -21.607 5.643 127 HG3 PRO 16 HG3 PRO 16 -9.514 -20.914 6.127 128 HD2 PRO 16 HD2 PRO 16 -8.403 -23.058 7.382 129 HD3 PRO 16 HD3 PRO 16 -10.171 -22.899 7.179 130 H PHE 17 H PHE 17 -7.419 -25.664 4.842 131 HA PHE 17 HA PHE 17 -5.033 -24.376 4.374 132 HB2 PHE 17 HB2 PHE 17 -5.821 -27.157 4.664 133 HB3 PHE 17 HB3 PHE 17 -4.556 -27.021 3.478 134 HD1 PHE 17 HD1 PHE 17 -4.949 -24.926 6.613 135 HD2 PHE 17 HD2 PHE 17 -2.758 -28.079 4.646 136 HE1 PHE 17 HE1 PHE 17 -3.194 -24.850 8.371 137 HE2 PHE 17 HE2 PHE 17 -0.951 -27.888 6.378 138 HZ PHE 17 HZ PHE 17 -1.212 -26.271 8.226 139 H ARG 18 H ARG 18 -6.680 -26.221 1.680 140 HA ARG 18 HA ARG 18 -4.644 -25.452 -0.203 141 HB2 ARG 18 HB2 ARG 18 -5.777 -26.687 -1.774 142 HB3 ARG 18 HB3 ARG 18 -5.946 -27.534 -0.251 143 HG2 ARG 18 HG2 ARG 18 -7.999 -27.741 -1.374 144 HG3 ARG 18 HG3 ARG 18 -8.298 -26.614 -0.046 145 HD2 ARG 18 HD2 ARG 18 -8.685 -24.845 -1.522 146 HD3 ARG 18 HD3 ARG 18 -7.374 -25.335 -2.538 147 HE ARG 18 HE ARG 18 -8.881 -26.435 -3.904 148 HH11 ARG 18 HH11 ARG 18 -10.727 -25.600 -1.012 149 HH12 ARG 18 HH12 ARG 18 -12.122 -26.335 -1.627 150 HH21 ARG 18 HH21 ARG 18 -10.793 -27.204 -4.610 151 HH22 ARG 18 HH22 ARG 18 -12.029 -27.611 -3.451 152 H ASP 19 H ASP 19 -7.739 -24.252 0.740 153 HA ASP 19 HA ASP 19 -8.216 -22.310 -1.315 154 HB2 ASP 19 HB2 ASP 19 -9.316 -22.459 1.525 155 HB3 ASP 19 HB3 ASP 19 -10.035 -21.590 0.173 156 H TYR 20 H TYR 20 -6.048 -22.265 1.164 157 HA TYR 20 HA TYR 20 -5.737 -19.281 1.130 158 HB2 TYR 20 HB2 TYR 20 -6.750 -19.869 3.224 159 HB3 TYR 20 HB3 TYR 20 -5.591 -21.173 3.471 160 HD1 TYR 20 HD1 TYR 20 -4.822 -17.609 2.431 161 HD2 TYR 20 HD2 TYR 20 -4.598 -20.646 5.485 162 HE1 TYR 20 HE1 TYR 20 -3.199 -16.219 3.697 163 HE2 TYR 20 HE2 TYR 20 -2.934 -19.260 6.722 164 HH TYR 20 HH TYR 20 -1.784 -16.125 5.510 165 H VAL 21 H VAL 21 -4.033 -22.436 1.392 166 HA VAL 21 HA VAL 21 -1.405 -21.379 1.341 167 HB VAL 21 HB VAL 21 -2.036 -23.772 1.774 168 HG11 VAL 21 HG11 VAL 21 -1.789 -24.323 -1.186 169 HG12 VAL 21 HG12 VAL 21 -2.451 -25.332 0.136 170 HG13 VAL 21 HG13 VAL 21 -3.342 -23.935 -0.468 171 HG21 VAL 21 HG23 VAL 21 0.137 -23.519 -0.309 172 HG22 VAL 21 HG21 VAL 21 0.278 -22.853 1.330 173 HG23 VAL 21 HG22 VAL 21 0.014 -24.579 1.113 174 H ASP 22 H ASP 22 -3.617 -22.081 -1.363 175 HA ASP 22 HA ASP 22 -1.985 -21.465 -3.570 176 HB2 ASP 22 HB2 ASP 22 -4.378 -22.214 -3.467 177 HB3 ASP 22 HB3 ASP 22 -4.825 -20.682 -2.912 178 H ARG 23 H ARG 23 -4.057 -19.422 -1.850 179 HA ARG 23 HA ARG 23 -3.095 -16.950 -2.864 180 HB2 ARG 23 HB2 ARG 23 -4.521 -16.842 -0.187 181 HB3 ARG 23 HB3 ARG 23 -4.781 -15.899 -1.629 182 HG2 ARG 23 HG2 ARG 23 -5.675 -18.739 -1.011 183 HG3 ARG 23 HG3 ARG 23 -6.702 -17.314 -1.038 184 HD2 ARG 23 HD2 ARG 23 -5.235 -17.703 -3.575 185 HD3 ARG 23 HD3 ARG 23 -6.189 -19.116 -3.097 186 HE ARG 23 HE ARG 23 -7.776 -16.828 -2.774 187 HH11 ARG 23 HH11 ARG 23 -6.208 -18.673 -5.330 188 HH12 ARG 23 HH12 ARG 23 -7.489 -18.477 -6.471 189 HH21 ARG 23 HH21 ARG 23 -9.514 -16.605 -4.424 190 HH22 ARG 23 HH22 ARG 23 -9.173 -17.182 -6.036 191 H PHE 24 H PHE 24 -1.919 -18.657 -0.062 192 HA PHE 24 HA PHE 24 -0.161 -16.515 0.805 193 HB2 PHE 24 HB2 PHE 24 -0.903 -18.465 2.196 194 HB3 PHE 24 HB3 PHE 24 0.022 -19.548 1.169 195 HD1 PHE 24 HD2 PHE 24 2.600 -19.118 0.955 196 HD2 PHE 24 HD1 PHE 24 0.128 -17.527 4.109 197 HE1 PHE 24 HE2 PHE 24 4.593 -18.439 2.203 198 HE2 PHE 24 HE1 PHE 24 2.164 -16.895 5.359 199 HZ PHE 24 HZ PHE 24 4.444 -17.241 4.309 200 H TYR 25 H TYR 25 0.488 -19.587 -1.014 201 HA TYR 25 HA TYR 25 3.193 -18.898 -1.514 202 HB2 TYR 25 HB2 TYR 25 1.416 -21.064 -2.539 203 HB3 TYR 25 HB3 TYR 25 2.947 -20.760 -3.323 204 HD1 TYR 25 HD2 TYR 25 1.570 -21.412 0.121 205 HD2 TYR 25 HD1 TYR 25 4.951 -21.699 -2.516 206 HE1 TYR 25 HE2 TYR 25 2.646 -23.068 1.665 207 HE2 TYR 25 HE1 TYR 25 6.006 -23.369 -0.996 208 HH TYR 25 HH TYR 25 5.649 -24.799 0.896 209 H LYS 26 H LYS 26 0.317 -18.198 -3.482 210 HA LYS 26 HA LYS 26 1.514 -17.321 -5.844 211 HB2 LYS 26 HB2 LYS 26 -0.471 -16.100 -6.287 212 HB3 LYS 26 HB3 LYS 26 -0.983 -17.435 -5.255 213 HG2 LYS 26 HG2 LYS 26 -2.190 -15.748 -4.436 214 HG3 LYS 26 HG3 LYS 26 -0.833 -15.878 -3.311 215 HD2 LYS 26 HD2 LYS 26 0.154 -13.843 -4.223 216 HD3 LYS 26 HD3 LYS 26 -1.096 -13.749 -5.480 217 HE2 LYS 26 HE2 LYS 26 -2.776 -13.168 -3.937 218 HE3 LYS 26 HE3 LYS 26 -1.940 -13.971 -2.595 219 HZ1 LYS 26 HZ3 LYS 26 -0.327 -12.271 -2.527 220 HZ2 LYS 26 HZ1 LYS 26 -0.995 -11.433 -3.782 221 HZ3 LYS 26 HZ2 LYS 26 -1.779 -11.558 -2.356 222 H THR 27 H THR 27 1.786 -15.756 -2.744 223 HA THR 27 HA THR 27 3.146 -13.406 -3.853 224 HB THR 27 HB THR 27 2.636 -13.497 -0.909 225 HG1 THR 27 HG1 THR 27 0.778 -14.448 -1.215 226 HG21 THR 27 HG23 THR 27 3.150 -11.500 -2.380 227 HG22 THR 27 HG21 THR 27 1.618 -11.793 -3.218 228 HG23 THR 27 HG22 THR 27 1.633 -11.316 -1.480 229 H LEU 28 H LEU 28 3.611 -15.820 -1.247 230 HA LEU 28 HA LEU 28 6.221 -15.271 -0.501 231 HB2 LEU 28 HB2 LEU 28 5.144 -16.967 0.718 232 HB3 LEU 28 HB3 LEU 28 4.751 -17.864 -0.731 233 HG LEU 28 HG LEU 28 7.666 -17.723 -0.537 234 HD11 LEU 28 HD11 LEU 28 6.520 -19.189 1.808 235 HD12 LEU 28 HD12 LEU 28 8.194 -18.843 1.407 236 HD13 LEU 28 HD13 LEU 28 7.149 -17.520 1.950 237 HD21 LEU 28 HD23 LEU 28 5.773 -20.053 -0.288 238 HD22 LEU 28 HD21 LEU 28 6.356 -19.355 -1.825 239 HD23 LEU 28 HD22 LEU 28 7.496 -20.115 -0.696 240 H ARG 29 H ARG 29 5.306 -17.153 -3.353 241 HA ARG 29 HA ARG 29 7.891 -17.749 -4.346 242 HB2 ARG 29 HB2 ARG 29 6.841 -18.261 -6.445 243 HB3 ARG 29 HB3 ARG 29 5.853 -18.802 -5.105 244 HG2 ARG 29 HG2 ARG 29 4.236 -17.914 -6.451 245 HG3 ARG 29 HG3 ARG 29 4.583 -16.511 -5.438 246 HD2 ARG 29 HD2 ARG 29 5.993 -15.561 -7.240 247 HD3 ARG 29 HD3 ARG 29 5.636 -16.962 -8.253 248 HE ARG 29 HE ARG 29 3.589 -15.044 -7.153 249 HH11 ARG 29 HH11 ARG 29 4.423 -17.218 -9.781 250 HH12 ARG 29 HH12 ARG 29 2.830 -17.099 -10.481 251 HH21 ARG 29 HH21 ARG 29 1.701 -14.889 -8.090 252 HH22 ARG 29 HH22 ARG 29 1.315 -15.752 -9.569 253 H ALA 30 H ALA 30 6.835 -14.577 -4.060 254 HA ALA 30 HA ALA 30 8.829 -13.642 -6.081 255 HB1 ALA 30 HB3 ALA 30 6.537 -13.304 -6.924 256 HB2 ALA 30 HB1 ALA 30 6.109 -12.423 -5.433 257 HB3 ALA 30 HB2 ALA 30 7.315 -11.757 -6.550 258 H GLU 31 H GLU 31 7.825 -13.489 -2.770 259 HA GLU 31 HA GLU 31 9.672 -11.168 -2.297 260 HB2 GLU 31 HB2 GLU 31 8.167 -10.372 -0.632 261 HB3 GLU 31 HB3 GLU 31 7.261 -10.705 -2.107 262 HG2 GLU 31 HG2 GLU 31 6.937 -13.101 -0.864 263 HG3 GLU 31 HG3 GLU 31 7.204 -12.113 0.559 264 H GLN 32 H GLN 32 8.999 -14.416 -1.456 265 HA GLN 32 HA GLN 32 11.231 -14.480 0.544 266 HB2 GLN 32 HB2 GLN 32 8.640 -16.036 0.362 267 HB3 GLN 32 HB3 GLN 32 9.946 -16.512 1.418 268 HG2 GLN 32 HG2 GLN 32 9.145 -13.680 1.842 269 HG3 GLN 32 HG3 GLN 32 7.774 -14.787 1.956 270 HE21 GLN 32 HE22 GLN 32 7.612 -14.161 4.222 271 HE22 GLN 32 HE21 GLN 32 8.613 -15.017 5.373 272 H ALA 33 H ALA 33 9.893 -15.707 -2.401 273 HA ALA 33 HA ALA 33 10.408 -17.153 -3.985 274 HB1 ALA 33 HB3 ALA 33 12.306 -15.606 -4.109 275 HB2 ALA 33 HB1 ALA 33 13.257 -16.686 -3.061 276 HB3 ALA 33 HB2 ALA 33 12.738 -17.235 -4.669 277 H SER 34 H SER 34 10.911 -18.332 -0.927 278 HA SER 34 HA SER 34 12.282 -20.774 -1.355 279 HB2 SER 34 HB2 SER 34 10.560 -19.834 0.966 280 HB3 SER 34 HB3 SER 34 11.706 -21.190 1.004 281 HG SER 34 HG SER 34 12.429 -18.483 0.356 282 H GLN 35 H GLN 35 10.692 -21.209 -3.245 283 HA GLN 35 HA GLN 35 8.163 -22.491 -2.729 284 HB2 GLN 35 HB2 GLN 35 8.677 -21.180 -4.707 285 HB3 GLN 35 HB3 GLN 35 9.998 -22.251 -5.154 286 HG2 GLN 35 HG2 GLN 35 7.776 -22.393 -6.458 287 HG3 GLN 35 HG3 GLN 35 8.553 -23.892 -5.988 288 HE21 GLN 35 HE22 GLN 35 7.587 -25.209 -4.419 289 HE22 GLN 35 HE21 GLN 35 5.970 -24.939 -3.772 290 H GLU 36 H GLU 36 9.471 -23.930 -0.967 291 HA GLU 36 HA GLU 36 10.144 -26.571 -2.234 292 HB2 GLU 36 HB2 GLU 36 12.060 -24.820 -1.871 293 HB3 GLU 36 HB3 GLU 36 11.858 -25.189 -0.160 294 HG2 GLU 36 HG2 GLU 36 12.336 -27.634 -0.759 295 HG3 GLU 36 HG3 GLU 36 12.655 -27.090 -2.414 296 H VAL 37 H VAL 37 10.661 -28.276 -0.607 297 HA VAL 37 HA VAL 37 8.727 -28.735 1.444 298 HB VAL 37 HB VAL 37 11.460 -29.969 0.982 299 HG11 VAL 37 HG11 VAL 37 9.043 -31.147 2.461 300 HG12 VAL 37 HG12 VAL 37 10.587 -31.961 2.166 301 HG13 VAL 37 HG13 VAL 37 10.530 -30.569 3.246 302 HG21 VAL 37 HG23 VAL 37 8.714 -30.823 -0.023 303 HG22 VAL 37 HG21 VAL 37 10.069 -30.245 -1.017 304 HG23 VAL 37 HG22 VAL 37 10.196 -31.787 -0.172 305 H LYS 38 H LYS 38 12.002 -27.095 1.595 306 HA LYS 38 HA LYS 38 11.899 -26.714 4.396 307 HB2 LYS 38 HB2 LYS 38 13.779 -26.602 2.625 308 HB3 LYS 38 HB3 LYS 38 13.309 -24.911 2.397 309 HG2 LYS 38 HG2 LYS 38 14.168 -26.359 4.913 310 HG3 LYS 38 HG3 LYS 38 15.204 -25.315 3.918 311 HD2 LYS 38 HD2 LYS 38 13.628 -23.405 4.409 312 HD3 LYS 38 HD3 LYS 38 12.794 -24.472 5.565 313 HE2 LYS 38 HE2 LYS 38 14.808 -24.612 6.932 314 HE3 LYS 38 HE3 LYS 38 15.660 -23.538 5.794 315 HZ1 LYS 38 HZ3 LYS 38 14.012 -21.829 6.248 316 HZ2 LYS 38 HZ1 LYS 38 13.109 -22.818 7.126 317 HZ3 LYS 38 HZ2 LYS 38 14.563 -22.359 7.734 318 H ASN 39 H ASN 39 9.380 -26.297 3.558 319 HA ASN 39 HA ASN 39 8.541 -23.526 3.765 320 HB2 ASN 39 HB2 ASN 39 6.980 -24.880 2.760 321 HB3 ASN 39 HB3 ASN 39 7.386 -26.302 3.688 322 HD21 ASN 39 HD22 ASN 39 4.774 -24.591 3.058 323 HD22 ASN 39 HD21 ASN 39 3.996 -24.830 4.620 324 H ALA 40 H ALA 40 9.762 -25.950 5.960 325 HA ALA 40 HA ALA 40 9.013 -24.985 8.461 326 HB1 ALA 40 HB3 ALA 40 10.377 -26.991 8.052 327 HB2 ALA 40 HB1 ALA 40 11.735 -25.983 7.489 328 HB3 ALA 40 HB2 ALA 40 11.202 -25.914 9.185 329 H MET 41 H MET 41 9.607 -23.392 9.780 330 HA MET 41 HA MET 41 10.351 -21.519 10.673 331 HB2 MET 41 HB2 MET 41 12.704 -21.524 8.803 332 HB3 MET 41 HB3 MET 41 12.608 -20.803 10.394 333 HG2 MET 41 HG2 MET 41 12.663 -22.877 11.509 334 HG3 MET 41 HG3 MET 41 12.289 -23.800 10.061 335 HE1 MET 41 HE3 MET 41 14.616 -24.506 12.121 336 HE2 MET 41 HE1 MET 41 14.106 -25.477 10.724 337 HE3 MET 41 HE2 MET 41 15.828 -25.083 10.954 338 H THR 42 H THR 42 8.617 -21.135 8.159 339 HA THR 42 HA THR 42 8.823 -18.182 8.372 340 HB THR 42 HB THR 42 7.893 -18.073 5.897 341 HG1 THR 42 HG1 THR 42 9.133 -19.586 4.653 342 HG21 THR 42 HG23 THR 42 10.075 -17.113 6.645 343 HG22 THR 42 HG21 THR 42 10.832 -18.717 6.501 344 HG23 THR 42 HG22 THR 42 10.231 -17.880 5.056 345 H GLU 43 H GLU 43 6.905 -17.099 7.676 346 HA GLU 43 HA GLU 43 4.453 -17.839 8.861 347 HB2 GLU 43 HB2 GLU 43 3.555 -16.042 7.203 348 HB3 GLU 43 HB3 GLU 43 4.682 -15.571 8.473 349 HG2 GLU 43 HG2 GLU 43 5.773 -16.318 5.769 350 HG3 GLU 43 HG3 GLU 43 4.948 -14.760 5.943 351 H THR 44 H THR 44 5.690 -19.147 6.069 352 HA THR 44 HA THR 44 3.447 -19.750 4.408 353 HB THR 44 HB THR 44 5.864 -19.795 3.803 354 HG1 THR 44 HG1 THR 44 4.389 -22.137 3.344 355 HG21 THR 44 HG23 THR 44 6.624 -21.133 5.786 356 HG22 THR 44 HG21 THR 44 5.852 -22.539 5.099 357 HG23 THR 44 HG22 THR 44 7.183 -21.751 4.221 358 H LEU 45 H LEU 45 2.724 -20.256 6.958 359 HA LEU 45 HA LEU 45 2.833 -22.754 8.005 360 HB2 LEU 45 HB2 LEU 45 1.058 -21.950 9.556 361 HB3 LEU 45 HB3 LEU 45 2.516 -21.000 9.364 362 HG LEU 45 HG LEU 45 1.551 -19.237 8.589 363 HD11 LEU 45 HD11 LEU 45 -0.795 -20.722 7.400 364 HD12 LEU 45 HD12 LEU 45 -0.655 -18.943 7.450 365 HD13 LEU 45 HD13 LEU 45 0.492 -19.845 6.531 366 HD21 LEU 45 HD23 LEU 45 -0.467 -20.423 10.358 367 HD22 LEU 45 HD21 LEU 45 0.849 -19.302 10.684 368 HD23 LEU 45 HD22 LEU 45 -0.557 -18.739 9.763 369 H LEU 46 H LEU 46 1.915 -23.363 5.418 370 HA LEU 46 HA LEU 46 -0.553 -24.978 5.832 371 HB2 LEU 46 HB2 LEU 46 0.044 -23.741 3.289 372 HB3 LEU 46 HB3 LEU 46 -1.481 -24.389 3.847 373 HG LEU 46 HG LEU 46 -1.815 -22.154 3.431 374 HD11 LEU 46 HD11 LEU 46 -1.642 -22.683 6.359 375 HD12 LEU 46 HD12 LEU 46 -2.257 -21.181 5.690 376 HD13 LEU 46 HD13 LEU 46 -3.025 -22.729 5.276 377 HD21 LEU 46 HD23 LEU 46 0.658 -21.342 4.943 378 HD22 LEU 46 HD21 LEU 46 0.440 -21.305 3.206 379 HD23 LEU 46 HD22 LEU 46 -0.532 -20.251 4.230 380 H VAL 47 H VAL 47 -0.758 -26.321 3.488 381 HA VAL 47 HA VAL 47 1.904 -27.190 2.529 382 HB VAL 47 HB VAL 47 -0.285 -29.175 2.163 383 HG11 VAL 47 HG11 VAL 47 2.621 -29.447 2.889 384 HG12 VAL 47 HG12 VAL 47 1.589 -30.638 2.118 385 HG13 VAL 47 HG13 VAL 47 2.036 -29.204 1.238 386 HG21 VAL 47 HG23 VAL 47 0.685 -28.651 4.919 387 HG22 VAL 47 HG21 VAL 47 -0.903 -29.131 4.335 388 HG23 VAL 47 HG22 VAL 47 0.376 -30.330 4.354 389 H GLN 48 H GLN 48 2.069 -26.850 0.379 390 HA GLN 48 HA GLN 48 -0.019 -25.912 -1.299 391 HB2 GLN 48 HB2 GLN 48 2.581 -27.357 -1.909 392 HB3 GLN 48 HB3 GLN 48 1.480 -26.749 -3.169 393 HG2 GLN 48 HG2 GLN 48 1.581 -24.483 -2.193 394 HG3 GLN 48 HG3 GLN 48 2.663 -25.054 -0.935 395 HE21 GLN 48 HE22 GLN 48 2.604 -23.553 -3.925 396 HE22 GLN 48 HE21 GLN 48 4.321 -23.738 -4.253 397 H ASN 49 H ASN 49 -1.533 -26.915 -2.529 398 HA ASN 49 HA ASN 49 -3.359 -28.297 -2.404 399 HB2 ASN 49 HB2 ASN 49 -2.090 -28.558 -4.512 400 HB3 ASN 49 HB3 ASN 49 -1.258 -29.939 -3.801 401 HD21 ASN 49 HD22 ASN 49 -2.249 -31.871 -4.313 402 HD22 ASN 49 HD21 ASN 49 -3.952 -32.042 -4.716 403 H ALA 50 H ALA 50 -2.585 -28.514 0.158 404 HA ALA 50 HA ALA 50 -1.945 -30.845 1.297 405 HB1 ALA 50 HB3 ALA 50 -2.460 -28.796 2.505 406 HB2 ALA 50 HB1 ALA 50 -4.175 -28.980 2.172 407 HB3 ALA 50 HB2 ALA 50 -3.343 -30.156 3.227 408 H ASN 51 H ASN 51 -2.824 -32.666 2.091 409 HA ASN 51 HA ASN 51 -4.678 -33.972 0.216 410 HB2 ASN 51 HB2 ASN 51 -2.100 -34.504 1.065 411 HB3 ASN 51 HB3 ASN 51 -3.018 -35.514 2.181 412 HD21 ASN 51 HD22 ASN 51 -2.026 -37.310 1.218 413 HD22 ASN 51 HD21 ASN 51 -2.594 -37.917 -0.346 414 HA PRO 52 HA PRO 52 -8.044 -34.405 2.811 415 HB2 PRO 52 HB2 PRO 52 -8.949 -37.013 2.773 416 HB3 PRO 52 HB3 PRO 52 -9.106 -35.844 1.427 417 HG2 PRO 52 HG2 PRO 52 -7.026 -37.999 1.802 418 HG3 PRO 52 HG3 PRO 52 -7.916 -37.563 0.312 419 HD2 PRO 52 HD2 PRO 52 -5.394 -36.735 0.833 420 HD3 PRO 52 HD3 PRO 52 -6.535 -35.688 -0.065 421 H ASP 53 H ASP 53 -5.953 -37.233 3.734 422 HA ASP 53 HA ASP 53 -6.792 -37.502 6.360 423 HB2 ASP 53 HB2 ASP 53 -3.927 -37.794 5.357 424 HB3 ASP 53 HB3 ASP 53 -4.672 -38.618 6.730 425 H CYS 54 H CYS 54 -3.827 -35.682 5.385 426 HA CYS 54 HA CYS 54 -3.506 -34.440 7.919 427 HB2 CYS 54 HB2 CYS 54 -2.429 -34.110 5.238 428 HB3 CYS 54 HB3 CYS 54 -2.251 -32.678 6.251 429 HG CYS 54 HG CYS 54 -0.107 -33.660 6.975 430 H LYS 55 H LYS 55 -5.439 -33.350 5.177 431 HA LYS 55 HA LYS 55 -6.250 -30.743 6.020 432 HB2 LYS 55 HB2 LYS 55 -7.280 -32.836 4.294 433 HB3 LYS 55 HB3 LYS 55 -8.577 -32.271 5.293 434 HG2 LYS 55 HG2 LYS 55 -8.594 -31.016 3.272 435 HG3 LYS 55 HG3 LYS 55 -8.097 -29.935 4.589 436 HD2 LYS 55 HD2 LYS 55 -5.846 -29.872 3.863 437 HD3 LYS 55 HD3 LYS 55 -6.000 -31.262 2.791 438 HE2 LYS 55 HE2 LYS 55 -7.716 -28.751 2.435 439 HE3 LYS 55 HE3 LYS 55 -6.075 -28.814 1.781 440 HZ1 LYS 55 HZ3 LYS 55 -6.663 -30.732 0.485 441 HZ2 LYS 55 HZ1 LYS 55 -8.196 -30.760 1.079 442 HZ3 LYS 55 HZ2 LYS 55 -7.693 -29.511 0.122 443 H THR 56 H THR 56 -7.756 -33.859 7.057 444 HA THR 56 HA THR 56 -9.341 -32.392 8.952 445 HB THR 56 HB THR 56 -9.973 -34.561 7.725 446 HG1 THR 56 HG1 THR 56 -11.441 -34.898 9.385 447 HG21 THR 56 HG23 THR 56 -8.223 -36.030 8.760 448 HG22 THR 56 HG21 THR 56 -8.978 -35.766 10.346 449 HG23 THR 56 HG22 THR 56 -9.876 -36.580 9.046 450 H ILE 57 H ILE 57 -6.203 -33.553 9.093 451 HA ILE 57 HA ILE 57 -6.069 -33.780 12.067 452 HB ILE 57 HB ILE 57 -4.096 -34.102 9.812 453 HG12 ILE 57 HG12 ILE 57 -4.984 -36.162 11.870 454 HG13 ILE 57 HG13 ILE 57 -5.887 -35.883 10.385 455 HG21 ILE 57 HG21 ILE 57 -3.396 -34.405 12.746 456 HG22 ILE 57 HG22 ILE 57 -2.371 -34.867 11.366 457 HG23 ILE 57 HG23 ILE 57 -2.734 -33.187 11.624 458 HD11 ILE 57 HD13 ILE 57 -3.828 -36.342 9.056 459 HD12 ILE 57 HD11 ILE 57 -3.015 -36.844 10.555 460 HD13 ILE 57 HD12 ILE 57 -4.443 -37.728 9.974 461 H LEU 58 H LEU 58 -4.081 -31.763 9.747 462 HA LEU 58 HA LEU 58 -3.243 -29.991 11.785 463 HB2 LEU 58 HB2 LEU 58 -3.551 -29.357 8.815 464 HB3 LEU 58 HB3 LEU 58 -2.672 -28.416 10.011 465 HG LEU 58 HG LEU 58 -1.463 -30.802 10.443 466 HD11 LEU 58 HD11 LEU 58 -2.450 -30.876 7.608 467 HD12 LEU 58 HD12 LEU 58 -0.931 -31.718 8.091 468 HD13 LEU 58 HD13 LEU 58 -2.458 -32.127 8.873 469 HD21 LEU 58 HD23 LEU 58 -0.881 -28.533 8.564 470 HD22 LEU 58 HD21 LEU 58 -0.074 -29.026 10.069 471 HD23 LEU 58 HD22 LEU 58 0.221 -29.898 8.550 472 H LYS 59 H LYS 59 -6.190 -30.044 9.979 473 HA LYS 59 HA LYS 59 -7.736 -27.873 10.396 474 HB2 LYS 59 HB2 LYS 59 -7.992 -30.693 10.507 475 HB3 LYS 59 HB3 LYS 59 -8.857 -30.114 11.877 476 HG2 LYS 59 HG2 LYS 59 -9.443 -28.625 9.386 477 HG3 LYS 59 HG3 LYS 59 -9.690 -30.333 9.222 478 HD2 LYS 59 HD2 LYS 59 -11.111 -28.462 11.113 479 HD3 LYS 59 HD3 LYS 59 -11.804 -29.480 9.859 480 HE2 LYS 59 HE2 LYS 59 -10.835 -30.190 12.626 481 HE3 LYS 59 HE3 LYS 59 -12.424 -30.460 11.912 482 HZ1 LYS 59 HZ3 LYS 59 -11.311 -32.203 10.473 483 HZ2 LYS 59 HZ1 LYS 59 -9.927 -31.986 11.312 484 HZ3 LYS 59 HZ2 LYS 59 -11.237 -32.544 12.067 485 H ALA 60 H ALA 60 -6.473 -29.794 12.978 486 HA ALA 60 HA ALA 60 -7.177 -27.773 15.069 487 HB1 ALA 60 HB3 ALA 60 -8.735 -29.681 15.219 488 HB2 ALA 60 HB1 ALA 60 -7.362 -30.818 15.248 489 HB3 ALA 60 HB2 ALA 60 -7.616 -29.685 16.599 490 H LEU 61 H LEU 61 -4.763 -29.768 13.586 491 HA LEU 61 HA LEU 61 -2.976 -29.699 15.915 492 HB2 LEU 61 HB2 LEU 61 -3.442 -31.704 14.093 493 HB3 LEU 61 HB3 LEU 61 -2.053 -30.958 13.359 494 HG LEU 61 HG LEU 61 -0.934 -31.049 15.702 495 HD11 LEU 61 HD11 LEU 61 -3.150 -33.104 16.132 496 HD12 LEU 61 HD12 LEU 61 -1.763 -32.819 17.201 497 HD13 LEU 61 HD13 LEU 61 -3.001 -31.571 17.012 498 HD21 LEU 61 HD23 LEU 61 -1.568 -33.657 14.262 499 HD22 LEU 61 HD21 LEU 61 -0.267 -32.512 13.869 500 HD23 LEU 61 HD22 LEU 61 -0.230 -33.387 15.401 501 H GLY 62 H GLY 62 -3.398 -27.194 15.190 502 HA2 GLY 62 HA2 GLY 62 -0.883 -26.323 13.805 503 HA3 GLY 62 HA3 GLY 62 -2.310 -25.333 14.024 504 HA PRO 63 HA PRO 63 -0.270 -24.917 18.293 505 HB2 PRO 63 HB2 PRO 63 1.317 -26.739 19.482 506 HB3 PRO 63 HB3 PRO 63 -0.427 -27.062 19.275 507 HG2 PRO 63 HG2 PRO 63 1.834 -27.965 17.441 508 HG3 PRO 63 HG3 PRO 63 0.571 -28.985 18.210 509 HD2 PRO 63 HD2 PRO 63 0.339 -27.970 15.678 510 HD3 PRO 63 HD3 PRO 63 -1.075 -28.204 16.766 511 H ALA 64 H ALA 64 0.797 -24.077 15.879 512 HA ALA 64 HA ALA 64 2.537 -23.095 14.826 513 HB1 ALA 64 HB3 ALA 64 1.944 -21.710 16.780 514 HB2 ALA 64 HB1 ALA 64 3.270 -22.463 17.699 515 HB3 ALA 64 HB2 ALA 64 3.625 -21.480 16.265 516 H ALA 65 H ALA 65 3.598 -25.963 16.114 517 HA ALA 65 HA ALA 65 6.313 -25.513 14.878 518 HB1 ALA 65 HB3 ALA 65 6.477 -25.350 17.322 519 HB2 ALA 65 HB1 ALA 65 5.688 -26.928 17.516 520 HB3 ALA 65 HB2 ALA 65 7.286 -26.811 16.737 521 H THR 66 H THR 66 4.540 -28.431 16.209 522 HA THR 66 HA THR 66 5.650 -30.249 14.439 523 HB THR 66 HB THR 66 2.737 -30.581 15.144 524 HG1 THR 66 HG1 THR 66 4.164 -31.384 17.164 525 HG21 THR 66 HG23 THR 66 3.907 -32.457 14.087 526 HG22 THR 66 HG21 THR 66 5.191 -32.395 15.294 527 HG23 THR 66 HG22 THR 66 3.533 -32.867 15.763 528 H LEU 67 H LEU 67 3.472 -27.828 13.534 529 HA LEU 67 HA LEU 67 2.071 -28.868 11.314 530 HB2 LEU 67 HB2 LEU 67 1.932 -26.753 12.614 531 HB3 LEU 67 HB3 LEU 67 3.315 -26.142 11.714 532 HG LEU 67 HG LEU 67 0.436 -26.562 10.905 533 HD11 LEU 67 HD11 LEU 67 2.554 -24.466 10.273 534 HD12 LEU 67 HD12 LEU 67 0.792 -24.330 10.005 535 HD13 LEU 67 HD13 LEU 67 1.434 -24.383 11.653 536 HD21 LEU 67 HD23 LEU 67 2.745 -26.544 8.923 537 HD22 LEU 67 HD21 LEU 67 1.584 -27.855 9.189 538 HD23 LEU 67 HD22 LEU 67 1.034 -26.308 8.499 539 H GLU 68 H GLU 68 5.321 -27.345 11.446 540 HA GLU 68 HA GLU 68 6.090 -27.407 8.790 541 HB2 GLU 68 HB2 GLU 68 7.839 -28.246 11.176 542 HB3 GLU 68 HB3 GLU 68 8.431 -27.623 9.625 543 HG2 GLU 68 HG2 GLU 68 7.247 -25.476 10.129 544 HG3 GLU 68 HG3 GLU 68 6.793 -26.155 11.697 545 H GLU 69 H GLU 69 6.093 -30.223 10.983 546 HA GLU 69 HA GLU 69 7.092 -31.995 8.821 547 HB2 GLU 69 HB2 GLU 69 6.853 -33.817 10.197 548 HB3 GLU 69 HB3 GLU 69 7.511 -32.537 11.203 549 HG2 GLU 69 HG2 GLU 69 5.688 -32.446 12.568 550 HG3 GLU 69 HG3 GLU 69 4.517 -32.902 11.351 551 H MET 70 H MET 70 3.961 -31.107 10.194 552 HA MET 70 HA MET 70 2.390 -33.197 9.055 553 HB2 MET 70 HB2 MET 70 1.687 -30.505 10.068 554 HB3 MET 70 HB3 MET 70 0.526 -31.773 9.589 555 HG2 MET 70 HG2 MET 70 2.551 -32.361 11.635 556 HG3 MET 70 HG3 MET 70 1.093 -31.426 12.014 557 HE1 MET 70 HE3 MET 70 2.547 -34.812 10.568 558 HE2 MET 70 HE1 MET 70 2.562 -34.802 12.339 559 HE3 MET 70 HE2 MET 70 1.526 -35.948 11.469 560 H MET 71 H MET 71 3.562 -30.293 7.825 561 HA MET 71 HA MET 71 2.195 -29.814 5.421 562 HB2 MET 71 HB2 MET 71 3.711 -28.255 6.439 563 HB3 MET 71 HB3 MET 71 5.047 -29.366 6.286 564 HG2 MET 71 HG2 MET 71 3.641 -27.992 3.954 565 HG3 MET 71 HG3 MET 71 5.082 -27.449 4.721 566 HE1 MET 71 HE3 MET 71 7.386 -28.336 4.634 567 HE2 MET 71 HE1 MET 71 6.906 -29.924 5.239 568 HE3 MET 71 HE2 MET 71 7.884 -29.805 3.771 569 H THR 72 H THR 72 5.351 -31.434 5.600 570 HA THR 72 HA THR 72 5.127 -32.906 3.159 571 HB THR 72 HB THR 72 6.417 -34.093 5.621 572 HG1 THR 72 HG1 THR 72 7.380 -32.254 5.865 573 HG21 THR 72 HG23 THR 72 6.659 -35.372 3.529 574 HG22 THR 72 HG21 THR 72 7.298 -33.932 2.699 575 HG23 THR 72 HG22 THR 72 8.230 -34.704 4.001 576 H ALA 73 H ALA 73 4.073 -33.834 6.468 577 HA ALA 73 HA ALA 73 3.836 -36.571 6.033 578 HB1 ALA 73 HB3 ALA 73 3.638 -35.391 8.237 579 HB2 ALA 73 HB1 ALA 73 1.985 -34.903 7.778 580 HB3 ALA 73 HB2 ALA 73 2.382 -36.616 7.975 581 H CYS 74 H CYS 74 1.537 -34.052 5.114 582 HA CYS 74 HA CYS 74 -0.622 -35.769 4.410 583 HB2 CYS 74 HB2 CYS 74 -1.601 -33.916 3.456 584 HB3 CYS 74 HB3 CYS 74 -0.495 -33.161 4.638 585 HG CYS 74 HG CYS 74 1.309 -32.471 2.964 586 H GLN 75 H GLN 75 2.340 -34.999 2.548 587 HA GLN 75 HA GLN 75 1.081 -35.977 0.087 588 HB2 GLN 75 HB2 GLN 75 2.656 -34.699 -0.971 589 HB3 GLN 75 HB3 GLN 75 2.423 -33.803 0.531 590 HG2 GLN 75 HG2 GLN 75 4.573 -33.789 0.881 591 HG3 GLN 75 HG3 GLN 75 4.537 -35.515 1.151 592 HE21 GLN 75 HE22 GLN 75 4.340 -36.723 -1.314 593 HE22 GLN 75 HE21 GLN 75 5.598 -36.078 -2.380 594 H GLY 76 H GLY 76 2.842 -37.360 2.571 595 HA2 GLY 76 HA2 GLY 76 3.884 -39.592 0.857 596 HA3 GLY 76 HA3 GLY 76 4.472 -39.172 2.472 597 H VAL 77 H VAL 77 1.122 -38.839 2.478 598 HA VAL 77 HA VAL 77 0.840 -41.129 4.222 599 HB VAL 77 HB VAL 77 -0.325 -38.853 4.330 600 HG11 VAL 77 HG11 VAL 77 -2.476 -40.182 2.663 601 HG12 VAL 77 HG12 VAL 77 -2.414 -38.533 3.274 602 HG13 VAL 77 HG13 VAL 77 -1.300 -39.033 1.981 603 HG21 VAL 77 HG23 VAL 77 -2.031 -41.316 4.826 604 HG22 VAL 77 HG21 VAL 77 -0.774 -40.673 5.911 605 HG23 VAL 77 HG22 VAL 77 -2.223 -39.719 5.554 606 H GLY 78 H GLY 78 0.648 -41.022 0.846 607 HA2 GLY 78 HA2 GLY 78 0.423 -42.893 -0.556 608 HA3 GLY 78 HA3 GLY 78 -0.345 -43.791 0.752 609 H GLY 79 H GLY 79 -2.313 -41.445 1.112 610 HA2 GLY 79 HA2 GLY 79 -4.325 -42.258 -0.809 611 HA3 GLY 79 HA3 GLY 79 -4.486 -40.999 0.410 612 HA PRO 80 HA PRO 80 -3.543 -38.836 -3.704 613 HB2 PRO 80 HB2 PRO 80 -5.620 -39.143 -5.411 614 HB3 PRO 80 HB3 PRO 80 -4.335 -40.383 -5.278 615 HG2 PRO 80 HG2 PRO 80 -7.071 -40.389 -3.958 616 HG3 PRO 80 HG3 PRO 80 -6.272 -41.714 -4.859 617 HD2 PRO 80 HD2 PRO 80 -6.209 -41.475 -2.101 618 HD3 PRO 80 HD3 PRO 80 -4.899 -42.246 -3.048 619 H GLY 81 H GLY 81 -4.178 -36.691 -3.938 620 HA2 GLY 81 HA2 GLY 81 -6.501 -35.731 -2.348 621 HA3 GLY 81 HA3 GLY 81 -5.163 -34.753 -2.894 622 H HIS 82 H HIS 82 -7.948 -36.573 -4.023 623 HA HIS 82 HA HIS 82 -8.145 -35.300 -6.598 624 HB2 HIS 82 HB2 HIS 82 -10.130 -36.537 -6.861 625 HB3 HIS 82 HB3 HIS 82 -9.080 -37.553 -5.898 626 HD2 HIS 82 HD2 HIS 82 -10.232 -35.323 -3.318 627 HE1 HIS 82 HE1 HIS 82 -13.508 -38.041 -3.708 628 HE2 HIS 82 HE2 HIS 82 -12.425 -36.313 -2.189 629 H LYS 83 H LYS 83 -10.766 -34.663 -6.797 630 HA LYS 83 HA LYS 83 -10.703 -31.852 -6.508 631 HB2 LYS 83 HB2 LYS 83 -11.660 -33.464 -8.328 632 HB3 LYS 83 HB3 LYS 83 -13.101 -33.554 -7.310 633 HG2 LYS 83 HG2 LYS 83 -13.212 -31.030 -7.413 634 HG3 LYS 83 HG3 LYS 83 -11.808 -31.072 -8.494 635 HD2 LYS 83 HD2 LYS 83 -13.187 -32.568 -10.065 636 HD3 LYS 83 HD3 LYS 83 -14.562 -32.309 -8.990 637 HE2 LYS 83 HE2 LYS 83 -14.844 -30.777 -10.777 638 HE3 LYS 83 HE3 LYS 83 -14.332 -29.821 -9.382 639 HZ1 LYS 83 HZ3 LYS 83 -12.071 -29.834 -10.301 640 HZ2 LYS 83 HZ1 LYS 83 -12.556 -30.744 -11.578 641 HZ3 LYS 83 HZ2 LYS 83 -13.119 -29.209 -11.412 642 H ALA 84 H ALA 84 -10.592 -32.327 -3.906 643 HA ALA 84 HA ALA 84 -12.894 -32.638 -2.396 644 HB1 ALA 84 HB3 ALA 84 -10.593 -32.616 -1.521 645 HB2 ALA 84 HB1 ALA 84 -10.501 -30.857 -1.789 646 HB3 ALA 84 HB2 ALA 84 -11.644 -31.522 -0.597 647 H ARG 85 H ARG 85 -14.502 -31.501 -1.581 648 HA ARG 85 HA ARG 85 -14.788 -28.601 -1.675 649 HB2 ARG 85 HB2 ARG 85 -15.600 -29.400 -3.906 650 HB3 ARG 85 HB3 ARG 85 -16.759 -30.457 -3.115 651 HG2 ARG 85 HG2 ARG 85 -16.907 -27.561 -2.340 652 HG3 ARG 85 HG3 ARG 85 -17.248 -27.901 -4.032 653 HD2 ARG 85 HD2 ARG 85 -19.049 -29.407 -3.501 654 HD3 ARG 85 HD3 ARG 85 -18.619 -29.425 -1.800 655 HE ARG 85 HE ARG 85 -19.459 -27.202 -1.503 656 HH11 ARG 85 HH11 ARG 85 -20.221 -28.344 -4.717 657 HH12 ARG 85 HH12 ARG 85 -21.439 -27.100 -4.927 658 HH21 ARG 85 HH21 ARG 85 -21.049 -25.838 -1.761 659 HH22 ARG 85 HH22 ARG 85 -21.891 -25.684 -3.266 660 H VAL 86 H VAL 86 -16.843 -28.042 -0.400 661 HA VAL 86 HA VAL 86 -17.485 -30.044 1.708 662 HB VAL 86 HB VAL 86 -17.238 -28.183 3.395 663 HG11 VAL 86 HG11 VAL 86 -14.679 -29.107 2.033 664 HG12 VAL 86 HG12 VAL 86 -14.850 -28.526 3.703 665 HG13 VAL 86 HG13 VAL 86 -15.633 -30.039 3.205 666 HG21 VAL 86 HG23 VAL 86 -15.404 -26.882 1.331 667 HG22 VAL 86 HG21 VAL 86 -17.032 -26.288 1.668 668 HG23 VAL 86 HG22 VAL 86 -15.811 -26.302 2.954 669 H LEU 87 H LEU 87 -18.786 -27.118 2.679 670 HA LEU 87 HA LEU 87 -21.409 -27.720 1.538 671 HB2 LEU 87 HB2 LEU 87 -22.271 -26.036 2.818 672 HB3 LEU 87 HB3 LEU 87 -20.995 -26.664 3.847 673 HG LEU 87 HG LEU 87 -20.952 -24.079 2.208 674 HD11 LEU 87 HD11 LEU 87 -21.038 -24.583 5.211 675 HD12 LEU 87 HD12 LEU 87 -20.998 -22.997 4.402 676 HD13 LEU 87 HD13 LEU 87 -22.403 -24.052 4.200 677 HD21 LEU 87 HD23 LEU 87 -18.838 -25.258 4.062 678 HD22 LEU 87 HD21 LEU 87 -18.683 -24.889 2.320 679 HD23 LEU 87 HD22 LEU 87 -18.857 -23.574 3.478 Start of MODEL 30 1 H1 MET 1 H1 MET 1 -0.360 -2.643 7.208 2 H2 MET 1 H2 MET 1 -0.049 -4.247 6.887 3 H3 MET 1 H3 MET 1 -1.588 -3.765 7.087 4 HA MET 1 HA MET 1 -0.874 -4.235 4.809 5 HB2 MET 1 HB2 MET 1 -1.994 -2.296 3.784 6 HB3 MET 1 HB3 MET 1 -2.887 -3.034 5.107 7 HG2 MET 1 HG2 MET 1 -2.060 -1.170 6.619 8 HG3 MET 1 HG3 MET 1 -1.399 -0.386 5.178 9 HE1 MET 1 HE3 MET 1 -3.328 1.156 7.093 10 HE2 MET 1 HE1 MET 1 -2.690 1.827 5.571 11 HE3 MET 1 HE2 MET 1 -4.429 1.913 5.921 12 H SER 2 H SER 2 1.406 -4.551 4.646 13 HA SER 2 HA SER 2 2.740 -2.311 3.320 14 HB2 SER 2 HB2 SER 2 4.733 -2.415 4.920 15 HB3 SER 2 HB3 SER 2 3.285 -1.592 5.501 16 HG SER 2 HG SER 2 4.345 -4.080 6.292 17 HA PRO 3 HA PRO 3 4.730 -5.873 1.468 18 HB2 PRO 3 HB2 PRO 3 6.685 -4.736 -0.029 19 HB3 PRO 3 HB3 PRO 3 4.956 -4.426 -0.357 20 HG2 PRO 3 HG2 PRO 3 6.867 -2.695 1.251 21 HG3 PRO 3 HG3 PRO 3 5.786 -2.193 -0.086 22 HD2 PRO 3 HD2 PRO 3 5.084 -1.949 2.554 23 HD3 PRO 3 HD3 PRO 3 3.880 -2.312 1.280 24 H THR 4 H THR 4 5.242 -6.254 3.900 25 HA THR 4 HA THR 4 8.221 -6.330 4.352 26 HB THR 4 HB THR 4 7.717 -5.675 6.739 27 HG1 THR 4 HG1 THR 4 5.509 -6.095 6.756 28 HG21 THR 4 HG23 THR 4 8.537 -3.990 5.110 29 HG22 THR 4 HG21 THR 4 6.858 -3.588 4.697 30 HG23 THR 4 HG22 THR 4 7.462 -3.298 6.341 31 H SER 5 H SER 5 5.234 -8.011 4.670 32 HA SER 5 HA SER 5 6.293 -10.480 5.611 33 HB2 SER 5 HB2 SER 5 4.375 -9.164 7.577 34 HB3 SER 5 HB3 SER 5 5.316 -10.655 7.767 35 HG SER 5 HG SER 5 7.161 -9.012 7.500 36 H ILE 6 H ILE 6 4.015 -11.814 6.268 37 HA ILE 6 HA ILE 6 1.809 -10.752 4.515 38 HB ILE 6 HB ILE 6 1.280 -12.793 3.736 39 HG12 ILE 6 HG12 ILE 6 2.221 -14.987 4.957 40 HG13 ILE 6 HG13 ILE 6 2.218 -13.986 6.361 41 HG21 ILE 6 HG21 ILE 6 4.167 -13.363 4.433 42 HG22 ILE 6 HG22 ILE 6 3.307 -13.835 2.951 43 HG23 ILE 6 HG23 ILE 6 3.699 -12.146 3.230 44 HD11 ILE 6 HD13 ILE 6 -0.264 -13.689 6.134 45 HD12 ILE 6 HD11 ILE 6 -0.220 -14.524 4.566 46 HD13 ILE 6 HD12 ILE 6 0.140 -15.398 6.060 47 H LEU 7 H LEU 7 2.592 -11.991 7.598 48 HA LEU 7 HA LEU 7 0.189 -12.604 8.745 49 HB2 LEU 7 HB2 LEU 7 1.333 -12.144 10.931 50 HB3 LEU 7 HB3 LEU 7 2.194 -13.167 9.801 51 HG LEU 7 HG LEU 7 3.763 -11.430 9.238 52 HD11 LEU 7 HD11 LEU 7 2.170 -9.590 11.062 53 HD12 LEU 7 HD12 LEU 7 3.798 -9.244 10.424 54 HD13 LEU 7 HD13 LEU 7 2.436 -9.395 9.312 55 HD21 LEU 7 HD23 LEU 7 3.336 -11.556 12.250 56 HD22 LEU 7 HD21 LEU 7 4.185 -12.766 11.249 57 HD23 LEU 7 HD22 LEU 7 4.849 -11.133 11.410 58 H ASP 8 H ASP 8 0.110 -9.764 7.385 59 HA ASP 8 HA ASP 8 -1.469 -8.411 9.516 60 HB2 ASP 8 HB2 ASP 8 -1.496 -6.477 8.136 61 HB3 ASP 8 HB3 ASP 8 0.156 -6.934 8.566 62 H ILE 9 H ILE 9 -1.739 -10.318 6.661 63 HA ILE 9 HA ILE 9 -4.671 -9.846 6.484 64 HB ILE 9 HB ILE 9 -4.866 -11.511 4.918 65 HG12 ILE 9 HG12 ILE 9 -1.952 -12.306 4.946 66 HG13 ILE 9 HG13 ILE 9 -3.128 -13.144 5.957 67 HG21 ILE 9 HG21 ILE 9 -2.345 -9.994 4.183 68 HG22 ILE 9 HG22 ILE 9 -3.594 -10.630 3.082 69 HG23 ILE 9 HG23 ILE 9 -3.981 -9.303 4.193 70 HD11 ILE 9 HD13 ILE 9 -4.516 -13.623 3.946 71 HD12 ILE 9 HD11 ILE 9 -3.292 -12.863 2.914 72 HD13 ILE 9 HD12 ILE 9 -2.887 -14.326 3.829 73 H ARG 10 H ARG 10 -6.168 -11.728 6.924 74 HA ARG 10 HA ARG 10 -5.687 -12.932 9.484 75 HB2 ARG 10 HB2 ARG 10 -7.655 -14.323 9.027 76 HB3 ARG 10 HB3 ARG 10 -7.944 -12.626 8.672 77 HG2 ARG 10 HG2 ARG 10 -9.016 -13.652 6.943 78 HG3 ARG 10 HG3 ARG 10 -7.496 -13.253 6.175 79 HD2 ARG 10 HD2 ARG 10 -6.833 -15.470 5.985 80 HD3 ARG 10 HD3 ARG 10 -7.706 -15.999 7.419 81 HE ARG 10 HE ARG 10 -8.618 -15.915 4.668 82 HH11 ARG 10 HH11 ARG 10 -9.844 -15.848 7.928 83 HH12 ARG 10 HH12 ARG 10 -11.387 -16.541 7.479 84 HH21 ARG 10 HH21 ARG 10 -10.512 -16.955 4.155 85 HH22 ARG 10 HH22 ARG 10 -11.717 -17.217 5.369 86 H GLN 11 H GLN 11 -4.806 -14.815 10.110 87 HA GLN 11 HA GLN 11 -3.688 -16.681 8.138 88 HB2 GLN 11 HB2 GLN 11 -2.817 -17.878 10.003 89 HB3 GLN 11 HB3 GLN 11 -2.501 -16.176 10.287 90 HG2 GLN 11 HG2 GLN 11 -4.544 -16.127 11.794 91 HG3 GLN 11 HG3 GLN 11 -4.700 -17.876 11.584 92 HE21 GLN 11 HE22 GLN 11 -3.312 -19.262 12.833 93 HE22 GLN 11 HE21 GLN 11 -2.141 -18.556 13.948 94 H GLY 12 H GLY 12 -4.407 -18.855 8.178 95 HA2 GLY 12 HA2 GLY 12 -5.991 -20.449 9.426 96 HA3 GLY 12 HA3 GLY 12 -7.294 -19.343 8.941 97 HA PRO 13 HA PRO 13 -5.784 -21.259 4.792 98 HB2 PRO 13 HB2 PRO 13 -3.817 -23.152 4.750 99 HB3 PRO 13 HB3 PRO 13 -3.472 -21.400 4.913 100 HG2 PRO 13 HG2 PRO 13 -3.809 -23.399 7.198 101 HG3 PRO 13 HG3 PRO 13 -2.376 -22.367 6.866 102 HD2 PRO 13 HD2 PRO 13 -4.250 -21.590 8.579 103 HD3 PRO 13 HD3 PRO 13 -3.606 -20.405 7.405 104 H LYS 14 H LYS 14 -6.876 -23.005 7.398 105 HA LYS 14 HA LYS 14 -6.767 -25.696 6.808 106 HB2 LYS 14 HB2 LYS 14 -8.716 -26.033 8.245 107 HB3 LYS 14 HB3 LYS 14 -7.519 -24.921 8.913 108 HG2 LYS 14 HG2 LYS 14 -9.031 -23.002 8.100 109 HG3 LYS 14 HG3 LYS 14 -10.277 -24.222 7.822 110 HD2 LYS 14 HD2 LYS 14 -8.875 -23.731 10.473 111 HD3 LYS 14 HD3 LYS 14 -10.436 -23.039 10.023 112 HE2 LYS 14 HE2 LYS 14 -11.504 -25.192 9.954 113 HE3 LYS 14 HE3 LYS 14 -9.959 -26.043 10.049 114 HZ1 LYS 14 HZ3 LYS 14 -9.632 -25.162 12.263 115 HZ2 LYS 14 HZ1 LYS 14 -11.078 -24.367 12.226 116 HZ3 LYS 14 HZ2 LYS 14 -11.034 -26.011 12.212 117 H GLU 15 H GLU 15 -9.822 -24.048 5.977 118 HA GLU 15 HA GLU 15 -10.510 -26.109 4.032 119 HB2 GLU 15 HB2 GLU 15 -12.217 -25.184 5.399 120 HB3 GLU 15 HB3 GLU 15 -11.821 -23.530 4.992 121 HG2 GLU 15 HG2 GLU 15 -12.852 -25.577 2.983 122 HG3 GLU 15 HG3 GLU 15 -13.909 -24.552 3.947 123 HA PRO 16 HA PRO 16 -10.042 -22.569 0.929 124 HB2 PRO 16 HB2 PRO 16 -8.564 -20.319 1.338 125 HB3 PRO 16 HB3 PRO 16 -10.252 -20.511 1.899 126 HG2 PRO 16 HG2 PRO 16 -7.710 -20.989 3.489 127 HG3 PRO 16 HG3 PRO 16 -9.119 -19.977 3.944 128 HD2 PRO 16 HD2 PRO 16 -8.887 -22.490 4.828 129 HD3 PRO 16 HD3 PRO 16 -10.484 -21.872 4.307 130 H PHE 17 H PHE 17 -7.664 -24.239 2.386 131 HA PHE 17 HA PHE 17 -5.262 -23.799 2.062 132 HB2 PHE 17 HB2 PHE 17 -6.284 -26.006 2.530 133 HB3 PHE 17 HB3 PHE 17 -6.386 -26.336 0.813 134 HD1 PHE 17 HD1 PHE 17 -3.355 -24.566 1.989 135 HD2 PHE 17 HD2 PHE 17 -5.132 -28.450 1.409 136 HE1 PHE 17 HE1 PHE 17 -1.203 -25.660 2.515 137 HE2 PHE 17 HE2 PHE 17 -2.900 -29.486 1.687 138 HZ PHE 17 HZ PHE 17 -1.005 -28.085 2.479 139 H ARG 18 H ARG 18 -6.136 -25.431 -0.910 140 HA ARG 18 HA ARG 18 -4.520 -24.699 -2.893 141 HB2 ARG 18 HB2 ARG 18 -7.181 -24.095 -3.908 142 HB3 ARG 18 HB3 ARG 18 -6.143 -25.452 -4.198 143 HG2 ARG 18 HG2 ARG 18 -8.241 -26.293 -3.461 144 HG3 ARG 18 HG3 ARG 18 -7.083 -26.590 -2.176 145 HD2 ARG 18 HD2 ARG 18 -9.103 -25.967 -1.161 146 HD3 ARG 18 HD3 ARG 18 -8.024 -24.603 -0.926 147 HE ARG 18 HE ARG 18 -9.401 -23.784 -3.122 148 HH11 ARG 18 HH11 ARG 18 -10.376 -24.899 0.125 149 HH12 ARG 18 HH12 ARG 18 -11.894 -24.126 -0.001 150 HH21 ARG 18 HH21 ARG 18 -11.392 -22.547 -2.942 151 HH22 ARG 18 HH22 ARG 18 -12.357 -22.840 -1.512 152 H ASP 19 H ASP 19 -7.113 -22.410 -2.070 153 HA ASP 19 HA ASP 19 -6.119 -20.392 -3.936 154 HB2 ASP 19 HB2 ASP 19 -8.538 -20.650 -3.428 155 HB3 ASP 19 HB3 ASP 19 -8.236 -20.183 -1.746 156 H TYR 20 H TYR 20 -6.222 -20.782 -0.380 157 HA TYR 20 HA TYR 20 -4.779 -18.353 0.222 158 HB2 TYR 20 HB2 TYR 20 -6.127 -19.700 1.860 159 HB3 TYR 20 HB3 TYR 20 -4.806 -20.856 1.923 160 HD1 TYR 20 HD1 TYR 20 -2.530 -20.070 2.789 161 HD2 TYR 20 HD2 TYR 20 -6.022 -17.567 3.049 162 HE1 TYR 20 HE1 TYR 20 -1.383 -18.658 4.478 163 HE2 TYR 20 HE2 TYR 20 -4.885 -16.197 4.812 164 HH TYR 20 HH TYR 20 -1.536 -16.758 5.792 165 H VAL 21 H VAL 21 -3.648 -21.490 -0.922 166 HA VAL 21 HA VAL 21 -0.888 -21.049 -0.309 167 HB VAL 21 HB VAL 21 -1.779 -22.536 -2.799 168 HG11 VAL 21 HG11 VAL 21 0.713 -22.030 -1.305 169 HG12 VAL 21 HG12 VAL 21 0.417 -23.722 -1.747 170 HG13 VAL 21 HG13 VAL 21 0.389 -22.457 -2.972 171 HG21 VAL 21 HG23 VAL 21 -2.117 -23.592 -0.051 172 HG22 VAL 21 HG21 VAL 21 -2.964 -23.902 -1.549 173 HG23 VAL 21 HG22 VAL 21 -1.423 -24.661 -1.298 174 H ASP 22 H ASP 22 -2.844 -20.300 -3.206 175 HA ASP 22 HA ASP 22 -0.763 -18.973 -4.660 176 HB2 ASP 22 HB2 ASP 22 -3.376 -19.580 -5.135 177 HB3 ASP 22 HB3 ASP 22 -3.546 -17.902 -4.797 178 H ARG 23 H ARG 23 -3.320 -17.657 -2.658 179 HA ARG 23 HA ARG 23 -2.455 -14.988 -2.886 180 HB2 ARG 23 HB2 ARG 23 -3.791 -15.628 -0.290 181 HB3 ARG 23 HB3 ARG 23 -4.029 -14.287 -1.405 182 HG2 ARG 23 HG2 ARG 23 -5.214 -17.028 -1.413 183 HG3 ARG 23 HG3 ARG 23 -6.031 -15.504 -1.345 184 HD2 ARG 23 HD2 ARG 23 -4.392 -15.849 -3.805 185 HD3 ARG 23 HD3 ARG 23 -5.643 -17.065 -3.590 186 HE ARG 23 HE ARG 23 -6.409 -14.279 -3.124 187 HH11 ARG 23 HH11 ARG 23 -6.953 -17.067 -5.143 188 HH12 ARG 23 HH12 ARG 23 -7.509 -16.208 -6.508 189 HH21 ARG 23 HH21 ARG 23 -7.750 -13.268 -4.746 190 HH22 ARG 23 HH22 ARG 23 -8.191 -14.183 -6.164 191 H PHE 24 H PHE 24 -1.330 -17.350 -0.539 192 HA PHE 24 HA PHE 24 0.371 -15.378 0.840 193 HB2 PHE 24 HB2 PHE 24 -0.457 -17.268 2.114 194 HB3 PHE 24 HB3 PHE 24 0.181 -18.404 0.909 195 HD1 PHE 24 HD2 PHE 24 1.788 -15.429 2.684 196 HD2 PHE 24 HD1 PHE 24 1.966 -19.567 1.679 197 HE1 PHE 24 HE2 PHE 24 4.003 -15.669 3.866 198 HE2 PHE 24 HE1 PHE 24 3.907 -19.869 3.041 199 HZ PHE 24 HZ PHE 24 4.987 -17.846 4.220 200 H TYR 25 H TYR 25 1.107 -18.194 -1.447 201 HA TYR 25 HA TYR 25 3.880 -17.634 -1.110 202 HB2 TYR 25 HB2 TYR 25 2.415 -19.564 -2.661 203 HB3 TYR 25 HB3 TYR 25 3.887 -19.015 -3.463 204 HD1 TYR 25 HD2 TYR 25 2.592 -20.337 -0.239 205 HD2 TYR 25 HD1 TYR 25 6.005 -19.912 -2.798 206 HE1 TYR 25 HE2 TYR 25 4.001 -21.551 1.436 207 HE2 TYR 25 HE1 TYR 25 7.397 -21.202 -1.162 208 HH TYR 25 HH TYR 25 6.161 -22.908 1.553 209 H LYS 26 H LYS 26 1.530 -16.314 -3.280 210 HA LYS 26 HA LYS 26 3.075 -14.732 -5.009 211 HB2 LYS 26 HB2 LYS 26 0.748 -15.044 -5.240 212 HB3 LYS 26 HB3 LYS 26 0.399 -14.422 -3.632 213 HG2 LYS 26 HG2 LYS 26 1.603 -12.567 -5.688 214 HG3 LYS 26 HG3 LYS 26 -0.099 -13.032 -5.769 215 HD2 LYS 26 HD2 LYS 26 -0.365 -12.301 -3.337 216 HD3 LYS 26 HD3 LYS 26 1.275 -11.678 -3.391 217 HE2 LYS 26 HE2 LYS 26 -0.220 -9.833 -3.858 218 HE3 LYS 26 HE3 LYS 26 0.646 -10.240 -5.350 219 HZ1 LYS 26 HZ3 LYS 26 -1.353 -11.614 -5.944 220 HZ2 LYS 26 HZ1 LYS 26 -2.143 -10.969 -4.668 221 HZ3 LYS 26 HZ2 LYS 26 -1.651 -9.990 -5.902 222 H THR 27 H THR 27 2.443 -13.996 -1.501 223 HA THR 27 HA THR 27 4.029 -11.472 -1.802 224 HB THR 27 HB THR 27 3.697 -11.327 0.737 225 HG1 THR 27 HG1 THR 27 2.230 -12.529 1.627 226 HG21 THR 27 HG23 THR 27 2.541 -9.839 -0.889 227 HG22 THR 27 HG21 THR 27 1.230 -11.045 -1.015 228 HG23 THR 27 HG22 THR 27 1.547 -10.225 0.526 229 H LEU 28 H LEU 28 4.143 -14.683 -0.300 230 HA LEU 28 HA LEU 28 6.586 -14.530 0.995 231 HB2 LEU 28 HB2 LEU 28 5.179 -16.443 1.123 232 HB3 LEU 28 HB3 LEU 28 5.558 -16.847 -0.565 233 HG LEU 28 HG LEU 28 7.846 -16.687 1.379 234 HD11 LEU 28 HD11 LEU 28 5.751 -18.849 1.216 235 HD12 LEU 28 HD12 LEU 28 7.413 -19.273 1.644 236 HD13 LEU 28 HD13 LEU 28 6.527 -18.109 2.638 237 HD21 LEU 28 HD23 LEU 28 7.183 -18.328 -1.109 238 HD22 LEU 28 HD21 LEU 28 8.478 -17.151 -0.950 239 HD23 LEU 28 HD22 LEU 28 8.589 -18.670 -0.096 240 H ARG 29 H ARG 29 6.190 -15.116 -2.528 241 HA ARG 29 HA ARG 29 8.975 -15.047 -3.085 242 HB2 ARG 29 HB2 ARG 29 8.416 -14.900 -5.414 243 HB3 ARG 29 HB3 ARG 29 7.545 -16.128 -4.544 244 HG2 ARG 29 HG2 ARG 29 5.881 -15.437 -5.841 245 HG3 ARG 29 HG3 ARG 29 5.581 -14.358 -4.496 246 HD2 ARG 29 HD2 ARG 29 7.327 -13.452 -6.793 247 HD3 ARG 29 HD3 ARG 29 5.572 -13.540 -7.014 248 HE ARG 29 HE ARG 29 5.599 -12.141 -4.772 249 HH11 ARG 29 HH11 ARG 29 7.443 -11.611 -7.688 250 HH12 ARG 29 HH12 ARG 29 7.705 -9.915 -7.381 251 HH21 ARG 29 HH21 ARG 29 6.153 -10.036 -4.315 252 HH22 ARG 29 HH22 ARG 29 6.928 -9.031 -5.506 253 H ALA 30 H ALA 30 8.124 -12.845 -1.406 254 HA ALA 30 HA ALA 30 10.077 -10.921 -2.493 255 HB1 ALA 30 HB3 ALA 30 7.837 -9.962 -2.935 256 HB2 ALA 30 HB1 ALA 30 7.445 -10.089 -1.201 257 HB3 ALA 30 HB2 ALA 30 8.744 -9.013 -1.744 258 H GLU 31 H GLU 31 9.361 -13.039 -0.014 259 HA GLU 31 HA GLU 31 11.135 -11.618 1.924 260 HB2 GLU 31 HB2 GLU 31 9.704 -12.648 3.758 261 HB3 GLU 31 HB3 GLU 31 9.018 -11.256 2.909 262 HG2 GLU 31 HG2 GLU 31 7.463 -12.551 1.718 263 HG3 GLU 31 HG3 GLU 31 8.411 -14.017 1.922 264 H GLN 32 H GLN 32 9.801 -14.833 0.948 265 HA GLN 32 HA GLN 32 12.462 -15.978 1.740 266 HB2 GLN 32 HB2 GLN 32 9.943 -17.609 1.469 267 HB3 GLN 32 HB3 GLN 32 11.498 -18.087 2.112 268 HG2 GLN 32 HG2 GLN 32 11.094 -16.398 4.016 269 HG3 GLN 32 HG3 GLN 32 9.417 -16.311 3.434 270 HE21 GLN 32 HE22 GLN 32 8.805 -18.912 2.774 271 HE22 GLN 32 HE21 GLN 32 9.005 -19.972 4.153 272 H ALA 33 H ALA 33 10.848 -14.950 -0.905 273 HA ALA 33 HA ALA 33 11.026 -15.283 -3.165 274 HB1 ALA 33 HB3 ALA 33 13.034 -14.126 -2.317 275 HB2 ALA 33 HB1 ALA 33 13.890 -15.685 -2.269 276 HB3 ALA 33 HB2 ALA 33 13.338 -15.019 -3.817 277 H SER 34 H SER 34 10.212 -17.978 -2.138 278 HA SER 34 HA SER 34 11.249 -19.562 -4.428 279 HB2 SER 34 HB2 SER 34 12.807 -19.867 -2.478 280 HB3 SER 34 HB3 SER 34 11.466 -20.604 -1.586 281 HG SER 34 HG SER 34 12.965 -22.010 -2.867 282 H GLN 35 H GLN 35 10.247 -21.800 -4.374 283 HA GLN 35 HA GLN 35 7.490 -22.026 -3.285 284 HB2 GLN 35 HB2 GLN 35 7.493 -21.011 -5.623 285 HB3 GLN 35 HB3 GLN 35 8.274 -22.469 -6.223 286 HG2 GLN 35 HG2 GLN 35 6.274 -23.805 -5.640 287 HG3 GLN 35 HG3 GLN 35 5.525 -22.382 -4.910 288 HE21 GLN 35 HE22 GLN 35 5.814 -24.218 -7.809 289 HE22 GLN 35 HE21 GLN 35 5.028 -22.992 -8.823 290 H GLU 36 H GLU 36 10.449 -23.208 -3.224 291 HA GLU 36 HA GLU 36 10.394 -25.939 -3.991 292 HB2 GLU 36 HB2 GLU 36 12.342 -24.402 -3.482 293 HB3 GLU 36 HB3 GLU 36 11.922 -24.549 -1.768 294 HG2 GLU 36 HG2 GLU 36 12.217 -27.080 -2.085 295 HG3 GLU 36 HG3 GLU 36 12.857 -26.718 -3.689 296 H VAL 37 H VAL 37 9.548 -27.709 -3.027 297 HA VAL 37 HA VAL 37 7.717 -27.731 -0.893 298 HB VAL 37 HB VAL 37 9.382 -29.944 -2.147 299 HG11 VAL 37 HG11 VAL 37 6.926 -30.190 -0.366 300 HG12 VAL 37 HG12 VAL 37 7.568 -31.505 -1.388 301 HG13 VAL 37 HG13 VAL 37 8.551 -30.857 -0.078 302 HG21 VAL 37 HG23 VAL 37 6.497 -29.082 -2.619 303 HG22 VAL 37 HG21 VAL 37 7.853 -28.728 -3.711 304 HG23 VAL 37 HG22 VAL 37 7.348 -30.399 -3.452 305 H LYS 38 H LYS 38 11.173 -27.636 -0.624 306 HA LYS 38 HA LYS 38 11.449 -28.415 2.113 307 HB2 LYS 38 HB2 LYS 38 13.131 -28.420 0.115 308 HB3 LYS 38 HB3 LYS 38 13.117 -26.669 0.263 309 HG2 LYS 38 HG2 LYS 38 13.614 -27.294 2.832 310 HG3 LYS 38 HG3 LYS 38 14.117 -28.801 2.068 311 HD2 LYS 38 HD2 LYS 38 16.129 -27.607 2.212 312 HD3 LYS 38 HD3 LYS 38 15.639 -27.286 0.556 313 HE2 LYS 38 HE2 LYS 38 15.250 -25.447 2.973 314 HE3 LYS 38 HE3 LYS 38 16.500 -25.276 1.728 315 HZ1 LYS 38 HZ3 LYS 38 14.670 -24.966 0.094 316 HZ2 LYS 38 HZ1 LYS 38 13.580 -24.969 1.324 317 HZ3 LYS 38 HZ2 LYS 38 14.711 -23.781 1.218 318 H ASN 39 H ASN 39 9.266 -26.889 2.187 319 HA ASN 39 HA ASN 39 9.607 -24.105 2.657 320 HB2 ASN 39 HB2 ASN 39 7.607 -25.972 4.003 321 HB3 ASN 39 HB3 ASN 39 7.449 -24.211 3.688 322 HD21 ASN 39 HD22 ASN 39 5.530 -24.291 2.761 323 HD22 ASN 39 HD21 ASN 39 5.362 -24.898 1.131 324 H ALA 40 H ALA 40 9.167 -23.180 4.993 325 HA ALA 40 HA ALA 40 11.388 -24.222 6.715 326 HB1 ALA 40 HB3 ALA 40 11.867 -22.201 5.358 327 HB2 ALA 40 HB1 ALA 40 10.537 -21.349 6.166 328 HB3 ALA 40 HB2 ALA 40 11.961 -21.881 7.093 329 H MET 41 H MET 41 10.769 -22.001 8.650 330 HA MET 41 HA MET 41 8.398 -23.136 10.058 331 HB2 MET 41 HB2 MET 41 9.587 -22.822 12.188 332 HB3 MET 41 HB3 MET 41 10.247 -24.096 11.170 333 HG2 MET 41 HG2 MET 41 12.125 -22.737 10.512 334 HG3 MET 41 HG3 MET 41 11.470 -21.310 11.310 335 HE1 MET 41 HE3 MET 41 11.592 -20.762 13.785 336 HE2 MET 41 HE1 MET 41 10.510 -22.126 14.140 337 HE3 MET 41 HE2 MET 41 12.012 -21.924 15.065 338 H THR 42 H THR 42 7.515 -21.436 8.770 339 HA THR 42 HA THR 42 7.156 -18.815 10.071 340 HB THR 42 HB THR 42 7.292 -18.124 7.349 341 HG1 THR 42 HG1 THR 42 9.339 -18.980 6.685 342 HG21 THR 42 HG23 THR 42 8.427 -16.989 9.276 343 HG22 THR 42 HG21 THR 42 9.617 -18.316 9.326 344 HG23 THR 42 HG22 THR 42 9.542 -17.218 7.915 345 H GLU 43 H GLU 43 5.443 -17.634 8.564 346 HA GLU 43 HA GLU 43 3.019 -19.019 8.128 347 HB2 GLU 43 HB2 GLU 43 2.705 -17.129 6.361 348 HB3 GLU 43 HB3 GLU 43 2.790 -16.727 8.066 349 HG2 GLU 43 HG2 GLU 43 5.363 -16.681 6.489 350 HG3 GLU 43 HG3 GLU 43 4.190 -15.402 6.182 351 H THR 44 H THR 44 5.855 -19.454 6.458 352 HA THR 44 HA THR 44 5.647 -20.205 3.860 353 HB THR 44 HB THR 44 7.522 -20.325 5.415 354 HG1 THR 44 HG1 THR 44 6.990 -21.972 3.315 355 HG21 THR 44 HG23 THR 44 6.185 -22.209 6.852 356 HG22 THR 44 HG21 THR 44 7.104 -23.267 5.791 357 HG23 THR 44 HG22 THR 44 7.926 -22.044 6.795 358 H LEU 45 H LEU 45 3.441 -21.430 5.950 359 HA LEU 45 HA LEU 45 3.454 -24.189 5.837 360 HB2 LEU 45 HB2 LEU 45 1.144 -23.915 6.867 361 HB3 LEU 45 HB3 LEU 45 2.579 -23.278 7.636 362 HG LEU 45 HG LEU 45 2.029 -21.061 7.257 363 HD11 LEU 45 HD11 LEU 45 -0.523 -21.834 5.804 364 HD12 LEU 45 HD12 LEU 45 0.094 -20.196 6.100 365 HD13 LEU 45 HD13 LEU 45 0.930 -21.244 4.971 366 HD21 LEU 45 HD23 LEU 45 -0.432 -22.549 8.181 367 HD22 LEU 45 HD21 LEU 45 0.980 -22.106 9.156 368 HD23 LEU 45 HD22 LEU 45 -0.056 -20.832 8.496 369 H LEU 46 H LEU 46 2.981 -23.059 2.913 370 HA LEU 46 HA LEU 46 1.329 -25.389 2.161 371 HB2 LEU 46 HB2 LEU 46 0.632 -23.257 0.463 372 HB3 LEU 46 HB3 LEU 46 -0.350 -24.488 1.063 373 HG LEU 46 HG LEU 46 -1.313 -22.337 1.410 374 HD11 LEU 46 HD11 LEU 46 -0.436 -23.256 4.102 375 HD12 LEU 46 HD12 LEU 46 -1.612 -21.976 3.766 376 HD13 LEU 46 HD13 LEU 46 -1.920 -23.632 3.246 377 HD21 LEU 46 HD23 LEU 46 1.185 -21.455 2.807 378 HD22 LEU 46 HD21 LEU 46 0.719 -21.147 1.133 379 HD23 LEU 46 HD22 LEU 46 -0.260 -20.489 2.463 380 H VAL 47 H VAL 47 1.410 -25.404 -0.498 381 HA VAL 47 HA VAL 47 3.868 -24.138 -1.523 382 HB VAL 47 HB VAL 47 3.435 -26.993 -2.354 383 HG11 VAL 47 HG11 VAL 47 5.886 -25.275 -1.828 384 HG12 VAL 47 HG12 VAL 47 5.859 -26.820 -2.695 385 HG13 VAL 47 HG13 VAL 47 5.055 -25.400 -3.390 386 HG21 VAL 47 HG23 VAL 47 4.961 -26.421 0.194 387 HG22 VAL 47 HG21 VAL 47 3.481 -27.389 0.057 388 HG23 VAL 47 HG22 VAL 47 4.974 -27.931 -0.710 389 H GLN 48 H GLN 48 3.259 -23.112 -3.498 390 HA GLN 48 HA GLN 48 0.791 -23.644 -4.791 391 HB2 GLN 48 HB2 GLN 48 3.310 -22.319 -5.786 392 HB3 GLN 48 HB3 GLN 48 1.803 -22.365 -6.719 393 HG2 GLN 48 HG2 GLN 48 0.604 -21.231 -4.914 394 HG3 GLN 48 HG3 GLN 48 2.047 -21.259 -3.910 395 HE21 GLN 48 HE22 GLN 48 3.586 -20.448 -6.700 396 HE22 GLN 48 HE21 GLN 48 3.240 -18.728 -6.620 397 H ASN 49 H ASN 49 3.832 -25.345 -5.127 398 HA ASN 49 HA ASN 49 3.196 -26.849 -7.482 399 HB2 ASN 49 HB2 ASN 49 5.271 -26.717 -5.324 400 HB3 ASN 49 HB3 ASN 49 4.956 -28.329 -5.870 401 HD21 ASN 49 HD22 ASN 49 5.294 -28.835 -8.015 402 HD22 ASN 49 HD21 ASN 49 6.305 -27.820 -9.061 403 H ALA 50 H ALA 50 1.625 -26.981 -4.470 404 HA ALA 50 HA ALA 50 1.674 -29.644 -3.786 405 HB1 ALA 50 HB3 ALA 50 0.895 -27.999 -2.276 406 HB2 ALA 50 HB1 ALA 50 -0.430 -27.508 -3.352 407 HB3 ALA 50 HB2 ALA 50 -0.465 -29.088 -2.541 408 H ASN 51 H ASN 51 0.372 -31.270 -3.807 409 HA ASN 51 HA ASN 51 -0.237 -32.347 -6.348 410 HB2 ASN 51 HB2 ASN 51 -0.698 -33.539 -3.560 411 HB3 ASN 51 HB3 ASN 51 -0.352 -34.418 -5.016 412 HD21 ASN 51 HD22 ASN 51 1.630 -35.288 -4.924 413 HD22 ASN 51 HD21 ASN 51 2.962 -34.568 -4.090 414 HA PRO 52 HA PRO 52 -4.808 -32.663 -5.991 415 HB2 PRO 52 HB2 PRO 52 -5.375 -35.305 -6.560 416 HB3 PRO 52 HB3 PRO 52 -5.005 -34.068 -7.798 417 HG2 PRO 52 HG2 PRO 52 -3.124 -36.104 -6.573 418 HG3 PRO 52 HG3 PRO 52 -3.322 -35.674 -8.301 419 HD2 PRO 52 HD2 PRO 52 -1.308 -34.635 -6.837 420 HD3 PRO 52 HD3 PRO 52 -2.172 -33.625 -8.018 421 H ASP 53 H ASP 53 -2.805 -35.201 -4.514 422 HA ASP 53 HA ASP 53 -4.450 -36.202 -2.505 423 HB2 ASP 53 HB2 ASP 53 -2.366 -37.213 -3.305 424 HB3 ASP 53 HB3 ASP 53 -1.423 -35.899 -2.612 425 H CYS 54 H CYS 54 -1.642 -34.364 -1.274 426 HA CYS 54 HA CYS 54 -2.507 -33.651 1.080 427 HB2 CYS 54 HB2 CYS 54 -1.288 -31.380 0.782 428 HB3 CYS 54 HB3 CYS 54 -0.333 -32.844 0.535 429 HG CYS 54 HG CYS 54 0.620 -31.931 -1.420 430 H LYS 55 H LYS 55 -3.102 -31.423 -1.556 431 HA LYS 55 HA LYS 55 -4.673 -29.495 -0.306 432 HB2 LYS 55 HB2 LYS 55 -4.548 -30.624 -3.056 433 HB3 LYS 55 HB3 LYS 55 -5.866 -29.518 -2.702 434 HG2 LYS 55 HG2 LYS 55 -4.522 -27.654 -2.427 435 HG3 LYS 55 HG3 LYS 55 -3.169 -28.576 -1.779 436 HD2 LYS 55 HD2 LYS 55 -2.638 -27.521 -3.937 437 HD3 LYS 55 HD3 LYS 55 -2.426 -29.265 -3.903 438 HE2 LYS 55 HE2 LYS 55 -4.900 -29.254 -4.929 439 HE3 LYS 55 HE3 LYS 55 -4.493 -27.581 -5.368 440 HZ1 LYS 55 HZ3 LYS 55 -2.446 -28.569 -6.443 441 HZ2 LYS 55 HZ1 LYS 55 -2.983 -30.022 -6.051 442 HZ3 LYS 55 HZ2 LYS 55 -3.850 -29.125 -7.145 443 H THR 56 H THR 56 -6.004 -32.413 -1.853 444 HA THR 56 HA THR 56 -8.730 -31.816 -1.275 445 HB THR 56 HB THR 56 -7.366 -34.459 -1.889 446 HG1 THR 56 HG1 THR 56 -7.155 -33.439 -3.654 447 HG21 THR 56 HG23 THR 56 -9.610 -34.953 -1.037 448 HG22 THR 56 HG21 THR 56 -10.309 -33.678 -2.076 449 HG23 THR 56 HG22 THR 56 -9.583 -35.128 -2.793 450 H ILE 57 H ILE 57 -6.188 -33.236 0.586 451 HA ILE 57 HA ILE 57 -8.047 -34.564 2.536 452 HB ILE 57 HB ILE 57 -5.032 -34.587 2.165 453 HG12 ILE 57 HG12 ILE 57 -7.004 -36.893 1.858 454 HG13 ILE 57 HG13 ILE 57 -6.620 -35.818 0.516 455 HG21 ILE 57 HG21 ILE 57 -6.687 -36.121 4.222 456 HG22 ILE 57 HG22 ILE 57 -4.975 -36.421 3.864 457 HG23 ILE 57 HG23 ILE 57 -5.444 -34.893 4.568 458 HD11 ILE 57 HD13 ILE 57 -4.196 -36.298 0.837 459 HD12 ILE 57 HD11 ILE 57 -4.640 -37.578 1.989 460 HD13 ILE 57 HD12 ILE 57 -5.176 -37.681 0.302 461 H LEU 58 H LEU 58 -5.131 -32.398 2.952 462 HA LEU 58 HA LEU 58 -5.640 -31.587 5.526 463 HB2 LEU 58 HB2 LEU 58 -4.504 -30.101 3.150 464 HB3 LEU 58 HB3 LEU 58 -4.470 -29.490 4.809 465 HG LEU 58 HG LEU 58 -3.406 -31.838 5.354 466 HD11 LEU 58 HD11 LEU 58 -2.630 -31.509 2.503 467 HD12 LEU 58 HD12 LEU 58 -1.798 -32.590 3.635 468 HD13 LEU 58 HD13 LEU 58 -3.498 -32.896 3.217 469 HD21 LEU 58 HD23 LEU 58 -2.286 -29.326 4.081 470 HD22 LEU 58 HD21 LEU 58 -2.207 -29.855 5.761 471 HD23 LEU 58 HD22 LEU 58 -1.149 -30.581 4.503 472 H LYS 59 H LYS 59 -7.257 -30.507 2.644 473 HA LYS 59 HA LYS 59 -8.849 -28.323 3.282 474 HB2 LYS 59 HB2 LYS 59 -10.047 -31.018 2.533 475 HB3 LYS 59 HB3 LYS 59 -10.960 -29.524 2.697 476 HG2 LYS 59 HG2 LYS 59 -9.162 -28.672 0.877 477 HG3 LYS 59 HG3 LYS 59 -9.225 -30.409 0.497 478 HD2 LYS 59 HD2 LYS 59 -11.512 -28.456 0.476 479 HD3 LYS 59 HD3 LYS 59 -10.843 -29.337 -0.896 480 HE2 LYS 59 HE2 LYS 59 -12.296 -30.549 1.498 481 HE3 LYS 59 HE3 LYS 59 -13.032 -30.230 -0.076 482 HZ1 LYS 59 HZ3 LYS 59 -11.435 -31.841 -1.041 483 HZ2 LYS 59 HZ1 LYS 59 -10.842 -32.180 0.455 484 HZ3 LYS 59 HZ2 LYS 59 -12.393 -32.541 0.094 485 H ALA 60 H ALA 60 -9.071 -31.396 4.886 486 HA ALA 60 HA ALA 60 -10.651 -30.230 7.159 487 HB1 ALA 60 HB3 ALA 60 -11.890 -31.977 5.962 488 HB2 ALA 60 HB1 ALA 60 -10.503 -33.085 6.078 489 HB3 ALA 60 HB2 ALA 60 -11.382 -32.593 7.549 490 H LEU 61 H LEU 61 -7.713 -31.986 6.216 491 HA LEU 61 HA LEU 61 -7.195 -32.784 8.982 492 HB2 LEU 61 HB2 LEU 61 -6.811 -33.997 6.449 493 HB3 LEU 61 HB3 LEU 61 -5.199 -33.660 7.041 494 HG LEU 61 HG LEU 61 -5.814 -34.859 9.190 495 HD11 LEU 61 HD11 LEU 61 -8.322 -35.598 7.609 496 HD12 LEU 61 HD12 LEU 61 -7.803 -36.374 9.120 497 HD13 LEU 61 HD13 LEU 61 -8.274 -34.670 9.122 498 HD21 LEU 61 HD23 LEU 61 -6.196 -36.517 6.656 499 HD22 LEU 61 HD21 LEU 61 -4.627 -36.008 7.319 500 HD23 LEU 61 HD22 LEU 61 -5.656 -37.113 8.239 501 H GLY 62 H GLY 62 -6.631 -30.178 7.592 502 HA2 GLY 62 HA2 GLY 62 -4.158 -29.478 9.178 503 HA3 GLY 62 HA3 GLY 62 -4.505 -28.743 7.601 504 HA PRO 63 HA PRO 63 -8.176 -27.295 10.119 505 HB2 PRO 63 HB2 PRO 63 -8.646 -27.948 12.770 506 HB3 PRO 63 HB3 PRO 63 -9.017 -29.040 11.403 507 HG2 PRO 63 HG2 PRO 63 -6.478 -28.979 13.081 508 HG3 PRO 63 HG3 PRO 63 -7.549 -30.385 12.751 509 HD2 PRO 63 HD2 PRO 63 -5.351 -29.968 11.243 510 HD3 PRO 63 HD3 PRO 63 -6.897 -30.475 10.497 511 H ALA 64 H ALA 64 -5.378 -26.437 10.554 512 HA ALA 64 HA ALA 64 -4.918 -24.137 10.531 513 HB1 ALA 64 HB3 ALA 64 -6.898 -23.315 11.700 514 HB2 ALA 64 HB1 ALA 64 -6.214 -23.855 13.261 515 HB3 ALA 64 HB2 ALA 64 -5.437 -22.567 12.329 516 H ALA 65 H ALA 65 -3.713 -26.690 12.152 517 HA ALA 65 HA ALA 65 -1.175 -25.198 12.627 518 HB1 ALA 65 HB3 ALA 65 -2.245 -25.334 14.834 519 HB2 ALA 65 HB1 ALA 65 -2.441 -27.096 14.662 520 HB3 ALA 65 HB2 ALA 65 -0.816 -26.375 14.754 521 H THR 66 H THR 66 -2.395 -28.627 12.935 522 HA THR 66 HA THR 66 -0.128 -29.896 12.260 523 HB THR 66 HB THR 66 -2.618 -31.061 11.055 524 HG1 THR 66 HG1 THR 66 -2.821 -31.591 13.528 525 HG21 THR 66 HG23 THR 66 -0.557 -32.431 11.306 526 HG22 THR 66 HG21 THR 66 -0.559 -32.129 13.047 527 HG23 THR 66 HG22 THR 66 -1.881 -33.061 12.291 528 H LEU 67 H LEU 67 -1.750 -28.024 9.913 529 HA LEU 67 HA LEU 67 -1.034 -29.361 7.490 530 HB2 LEU 67 HB2 LEU 67 -2.566 -27.425 7.924 531 HB3 LEU 67 HB3 LEU 67 -1.169 -26.405 8.109 532 HG LEU 67 HG LEU 67 -2.428 -27.486 5.540 533 HD11 LEU 67 HD11 LEU 67 -0.920 -24.975 6.374 534 HD12 LEU 67 HD12 LEU 67 -1.806 -25.224 4.850 535 HD13 LEU 67 HD13 LEU 67 -2.692 -25.171 6.387 536 HD21 LEU 67 HD23 LEU 67 0.490 -26.963 5.816 537 HD22 LEU 67 HD21 LEU 67 -0.291 -28.523 5.425 538 HD23 LEU 67 HD22 LEU 67 -0.390 -27.129 4.304 539 H GLU 68 H GLU 68 0.764 -27.041 9.512 540 HA GLU 68 HA GLU 68 3.087 -26.694 8.099 541 HB2 GLU 68 HB2 GLU 68 2.910 -27.285 11.113 542 HB3 GLU 68 HB3 GLU 68 4.277 -26.485 10.299 543 HG2 GLU 68 HG2 GLU 68 2.716 -24.728 9.502 544 HG3 GLU 68 HG3 GLU 68 1.422 -25.541 10.361 545 H GLU 69 H GLU 69 2.222 -29.702 9.505 546 HA GLU 69 HA GLU 69 4.800 -30.898 8.455 547 HB2 GLU 69 HB2 GLU 69 4.169 -33.024 9.299 548 HB3 GLU 69 HB3 GLU 69 4.151 -31.805 10.566 549 HG2 GLU 69 HG2 GLU 69 1.879 -31.916 10.901 550 HG3 GLU 69 HG3 GLU 69 1.523 -32.539 9.293 551 H MET 70 H MET 70 1.314 -31.089 7.853 552 HA MET 70 HA MET 70 1.469 -33.072 5.753 553 HB2 MET 70 HB2 MET 70 -0.705 -31.200 6.448 554 HB3 MET 70 HB3 MET 70 -0.848 -32.715 5.496 555 HG2 MET 70 HG2 MET 70 0.165 -33.556 7.859 556 HG3 MET 70 HG3 MET 70 -0.754 -32.083 8.304 557 HE1 MET 70 HE3 MET 70 -1.085 -35.344 9.089 558 HE2 MET 70 HE1 MET 70 -1.906 -34.025 9.951 559 HE3 MET 70 HE2 MET 70 -2.852 -35.385 9.306 560 H MET 71 H MET 71 1.857 -29.699 5.554 561 HA MET 71 HA MET 71 1.222 -29.003 2.915 562 HB2 MET 71 HB2 MET 71 1.960 -27.112 3.608 563 HB3 MET 71 HB3 MET 71 2.621 -27.779 5.089 564 HG2 MET 71 HG2 MET 71 4.259 -27.734 2.534 565 HG3 MET 71 HG3 MET 71 4.059 -26.292 3.474 566 HE1 MET 71 HE3 MET 71 5.501 -25.579 5.414 567 HE2 MET 71 HE1 MET 71 4.308 -26.535 6.327 568 HE3 MET 71 HE2 MET 71 6.039 -26.721 6.667 569 H THR 72 H THR 72 3.898 -30.739 4.058 570 HA THR 72 HA THR 72 4.903 -31.408 1.346 571 HB THR 72 HB THR 72 6.151 -30.662 3.937 572 HG1 THR 72 HG1 THR 72 7.309 -29.330 2.112 573 HG21 THR 72 HG23 THR 72 7.619 -32.472 3.330 574 HG22 THR 72 HG21 THR 72 7.659 -31.931 1.637 575 HG23 THR 72 HG22 THR 72 8.437 -30.963 2.904 576 H ALA 73 H ALA 73 4.108 -32.748 4.644 577 HA ALA 73 HA ALA 73 5.281 -35.298 4.087 578 HB1 ALA 73 HB3 ALA 73 4.544 -34.615 6.350 579 HB2 ALA 73 HB1 ALA 73 2.853 -34.660 5.808 580 HB3 ALA 73 HB2 ALA 73 3.807 -36.144 5.841 581 H CYS 74 H CYS 74 2.309 -33.692 3.035 582 HA CYS 74 HA CYS 74 1.315 -36.263 1.899 583 HB2 CYS 74 HB2 CYS 74 -0.119 -33.656 2.345 584 HB3 CYS 74 HB3 CYS 74 -0.817 -35.153 1.651 585 HG CYS 74 HG CYS 74 -1.537 -34.953 4.188 586 H GLN 75 H GLN 75 3.665 -34.871 0.866 587 HA GLN 75 HA GLN 75 3.070 -34.111 -1.865 588 HB2 GLN 75 HB2 GLN 75 5.420 -34.233 -2.222 589 HB3 GLN 75 HB3 GLN 75 5.183 -33.543 -0.620 590 HG2 GLN 75 HG2 GLN 75 5.656 -35.852 0.353 591 HG3 GLN 75 HG3 GLN 75 6.011 -36.417 -1.282 592 HE21 GLN 75 HE22 GLN 75 7.053 -34.086 1.204 593 HE22 GLN 75 HE21 GLN 75 8.732 -34.026 0.604 594 H GLY 76 H GLY 76 2.853 -37.076 -0.236 595 HA2 GLY 76 HA2 GLY 76 2.230 -38.778 -2.324 596 HA3 GLY 76 HA3 GLY 76 3.994 -38.854 -2.220 597 H VAL 77 H VAL 77 3.304 -38.370 0.970 598 HA VAL 77 HA VAL 77 3.279 -41.198 1.666 599 HB VAL 77 HB VAL 77 2.720 -38.763 3.403 600 HG11 VAL 77 HG11 VAL 77 3.359 -41.631 4.190 601 HG12 VAL 77 HG12 VAL 77 3.391 -40.240 5.301 602 HG13 VAL 77 HG13 VAL 77 1.875 -40.720 4.548 603 HG21 VAL 77 HG23 VAL 77 5.284 -40.393 3.039 604 HG22 VAL 77 HG21 VAL 77 5.024 -38.752 2.415 605 HG23 VAL 77 HG22 VAL 77 5.062 -39.027 4.156 606 H GLY 78 H GLY 78 0.746 -38.784 1.157 607 HA2 GLY 78 HA2 GLY 78 -1.543 -38.899 1.195 608 HA3 GLY 78 HA3 GLY 78 -1.419 -40.654 1.147 609 H GLY 79 H GLY 79 -3.339 -40.422 2.560 610 HA2 GLY 79 HA2 GLY 79 -2.485 -40.739 5.360 611 HA3 GLY 79 HA3 GLY 79 -3.767 -39.557 5.073 612 HA PRO 80 HA PRO 80 -5.066 -44.159 5.267 613 HB2 PRO 80 HB2 PRO 80 -6.185 -44.399 7.768 614 HB3 PRO 80 HB3 PRO 80 -4.433 -44.546 7.445 615 HG2 PRO 80 HG2 PRO 80 -5.949 -42.088 8.382 616 HG3 PRO 80 HG3 PRO 80 -4.454 -42.796 9.079 617 HD2 PRO 80 HD2 PRO 80 -4.356 -40.713 7.338 618 HD3 PRO 80 HD3 PRO 80 -3.137 -42.023 7.266 619 H GLY 81 H GLY 81 -6.792 -41.221 5.555 620 HA2 GLY 81 HA2 GLY 81 -8.780 -41.617 3.875 621 HA3 GLY 81 HA3 GLY 81 -9.477 -42.436 5.279 622 H HIS 82 H HIS 82 -10.810 -40.316 4.215 623 HA HIS 82 HA HIS 82 -10.328 -37.957 5.930 624 HB2 HIS 82 HB2 HIS 82 -12.019 -36.888 4.763 625 HB3 HIS 82 HB3 HIS 82 -11.222 -37.843 3.531 626 HD2 HIS 82 HD2 HIS 82 -13.137 -40.569 4.676 627 HE1 HIS 82 HE1 HIS 82 -16.162 -38.271 2.750 628 HE2 HIS 82 HE2 HIS 82 -15.556 -40.578 3.657 629 H LYS 83 H LYS 83 -12.454 -37.120 7.122 630 HA LYS 83 HA LYS 83 -14.203 -39.278 8.106 631 HB2 LYS 83 HB2 LYS 83 -12.273 -39.255 9.614 632 HB3 LYS 83 HB3 LYS 83 -12.495 -37.522 9.900 633 HG2 LYS 83 HG2 LYS 83 -14.758 -38.003 10.892 634 HG3 LYS 83 HG3 LYS 83 -14.487 -39.733 10.636 635 HD2 LYS 83 HD2 LYS 83 -12.809 -37.890 12.395 636 HD3 LYS 83 HD3 LYS 83 -14.056 -39.009 12.969 637 HE2 LYS 83 HE2 LYS 83 -12.770 -40.932 12.070 638 HE3 LYS 83 HE3 LYS 83 -11.528 -39.831 11.463 639 HZ1 LYS 83 HZ3 LYS 83 -11.121 -39.137 13.764 640 HZ2 LYS 83 HZ1 LYS 83 -12.223 -40.230 14.316 641 HZ3 LYS 83 HZ2 LYS 83 -10.856 -40.749 13.571 642 H ALA 84 H ALA 84 -16.168 -38.478 7.656 643 HA ALA 84 HA ALA 84 -16.745 -35.670 7.384 644 HB1 ALA 84 HB3 ALA 84 -17.953 -37.440 6.144 645 HB2 ALA 84 HB1 ALA 84 -18.592 -38.081 7.679 646 HB3 ALA 84 HB2 ALA 84 -19.069 -36.465 7.120 647 H ARG 85 H ARG 85 -17.633 -34.242 8.783 648 HA ARG 85 HA ARG 85 -19.176 -34.951 11.088 649 HB2 ARG 85 HB2 ARG 85 -16.580 -35.048 11.762 650 HB3 ARG 85 HB3 ARG 85 -16.733 -33.294 11.803 651 HG2 ARG 85 HG2 ARG 85 -18.458 -33.461 13.543 652 HG3 ARG 85 HG3 ARG 85 -18.530 -35.225 13.361 653 HD2 ARG 85 HD2 ARG 85 -16.274 -35.491 14.185 654 HD3 ARG 85 HD3 ARG 85 -15.996 -33.751 14.133 655 HE ARG 85 HE ARG 85 -17.998 -35.016 15.989 656 HH11 ARG 85 HH11 ARG 85 -15.816 -32.466 15.404 657 HH12 ARG 85 HH12 ARG 85 -16.076 -31.762 16.822 658 HH21 ARG 85 HH21 ARG 85 -18.257 -33.964 17.988 659 HH22 ARG 85 HH22 ARG 85 -17.192 -32.631 18.344 660 H VAL 86 H VAL 86 -19.867 -32.799 12.198 661 HA VAL 86 HA VAL 86 -19.776 -30.423 10.409 662 HB VAL 86 HB VAL 86 -22.185 -30.051 10.605 663 HG11 VAL 86 HG11 VAL 86 -21.663 -32.797 9.418 664 HG12 VAL 86 HG12 VAL 86 -22.966 -31.663 9.008 665 HG13 VAL 86 HG13 VAL 86 -21.285 -31.248 8.633 666 HG21 VAL 86 HG23 VAL 86 -22.376 -32.836 11.840 667 HG22 VAL 86 HG21 VAL 86 -22.667 -31.300 12.693 668 HG23 VAL 86 HG22 VAL 86 -23.727 -31.786 11.368 669 H LEU 87 H LEU 87 -18.744 -31.307 13.140 670 HA LEU 87 HA LEU 87 -18.955 -28.933 14.659 671 HB2 LEU 87 HB2 LEU 87 -21.205 -30.053 15.132 672 HB3 LEU 87 HB3 LEU 87 -20.335 -31.407 15.825 673 HG LEU 87 HG LEU 87 -19.411 -28.919 17.066 674 HD11 LEU 87 HD11 LEU 87 -22.419 -29.376 17.166 675 HD12 LEU 87 HD12 LEU 87 -21.490 -28.212 18.142 676 HD13 LEU 87 HD13 LEU 87 -21.590 -28.010 16.386 677 HD21 LEU 87 HD23 LEU 87 -21.079 -31.228 18.164 678 HD22 LEU 87 HD21 LEU 87 -19.298 -31.168 18.080 679 HD23 LEU 87 HD22 LEU 87 -20.170 -30.029 19.118
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