NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14265 | 1wj1 | 10089 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 6.541 -9.692 25.533 2 HA2 GLY 1 1HA GLY 1 7.111 -8.690 23.259 3 HA3 GLY 1 2HA GLY 1 7.595 -10.349 23.550 4 H SER 2 H SER 2 5.549 -8.205 21.695 5 HA SER 2 HA SER 2 4.626 -10.537 20.220 6 HB2 SER 2 1HB SER 2 2.998 -8.568 21.623 7 HB3 SER 2 2HB SER 2 2.655 -8.507 19.906 8 HG SER 2 HG SER 2 1.871 -10.555 19.925 9 H SER 3 H SER 3 4.809 -6.898 20.194 10 HA SER 3 HA SER 3 6.501 -6.814 18.022 11 HB2 SER 3 1HB SER 3 4.230 -7.660 16.977 12 HB3 SER 3 2HB SER 3 3.718 -5.993 17.151 13 HG SER 3 HG SER 3 5.153 -5.327 15.631 14 H GLY 4 H GLY 4 3.552 -5.189 19.398 15 HA2 GLY 4 1HA GLY 4 3.245 -3.130 20.240 16 HA3 GLY 4 2HA GLY 4 4.962 -3.085 20.585 17 H SER 5 H SER 5 3.743 -0.717 19.875 18 HA SER 5 HA SER 5 4.966 -0.278 17.289 19 HB2 SER 5 1HB SER 5 2.084 0.200 18.005 20 HB3 SER 5 2HB SER 5 2.871 1.398 16.995 21 HG SER 5 HG SER 5 3.613 -0.755 15.797 22 H SER 6 H SER 6 5.110 2.244 16.891 23 HA SER 6 HA SER 6 4.792 4.029 18.926 24 HB2 SER 6 1HB SER 6 7.259 2.391 19.181 25 HB3 SER 6 2HB SER 6 7.535 4.119 19.260 26 HG SER 6 HG SER 6 6.570 4.222 21.183 27 H GLY 7 H GLY 7 4.438 5.664 17.450 28 HA2 GLY 7 1HA GLY 7 6.150 5.883 15.104 29 HA3 GLY 7 2HA GLY 7 4.686 6.782 15.451 30 H ALA 8 H ALA 8 7.350 7.797 14.573 31 HA ALA 8 HA ALA 8 7.491 10.027 16.256 32 HB1 ALA 8 1HB ALA 8 9.878 8.169 16.539 33 HB2 ALA 8 2HB ALA 8 9.556 9.684 17.417 34 HB3 ALA 8 3HB ALA 8 8.561 8.243 17.735 35 H SER 9 H SER 9 9.322 11.505 15.540 36 HA SER 9 HA SER 9 9.356 11.614 12.799 37 HB2 SER 9 1HB SER 9 10.632 13.043 15.047 38 HB3 SER 9 2HB SER 9 11.609 13.065 13.593 39 HG SER 9 HG SER 9 9.873 14.004 12.427 40 H ARG 10 H ARG 10 11.381 11.584 11.359 41 HA ARG 10 HA ARG 10 13.446 9.847 12.321 42 HB2 ARG 10 1HB ARG 10 11.580 9.101 10.023 43 HB3 ARG 10 2HB ARG 10 13.172 8.389 10.186 44 HG2 ARG 10 1HG ARG 10 10.986 8.291 12.319 45 HG3 ARG 10 2HG ARG 10 11.381 6.978 11.228 46 HD2 ARG 10 1HD ARG 10 13.811 7.160 12.165 47 HD3 ARG 10 2HD ARG 10 13.123 8.154 13.434 48 HE ARG 10 HE ARG 10 11.587 5.727 13.150 49 HH11 ARG 10 2HH2 ARG 10 14.653 6.922 14.397 50 HH12 ARG 10 1HH2 ARG 10 14.806 5.668 15.582 51 HH21 ARG 10 2HH1 ARG 10 11.788 4.073 14.714 52 HH22 ARG 10 1HH1 ARG 10 13.165 4.037 15.764 53 HA PRO 11 HA PRO 11 15.709 12.245 9.467 54 HB2 PRO 11 1HB PRO 11 17.857 10.653 8.900 55 HB3 PRO 11 2HB PRO 11 17.726 11.598 10.370 56 HG2 PRO 11 1HG PRO 11 17.386 8.684 10.003 57 HG3 PRO 11 2HG PRO 11 17.679 9.577 11.482 58 HD2 PRO 11 1HD PRO 11 15.179 8.473 10.611 59 HD3 PRO 11 2HD PRO 11 15.450 9.464 12.030 60 H HIS 12 H HIS 12 15.796 8.917 8.262 61 HA HIS 12 HA HIS 12 15.909 9.747 5.593 62 HB2 HIS 12 1HB HIS 12 15.194 7.143 6.944 63 HB3 HIS 12 2HB HIS 12 15.147 7.317 5.201 64 HD1 HIS 12 1HD HIS 12 17.383 6.375 7.871 65 HD2 HIS 12 2HD HIS 12 17.825 8.286 4.164 66 HE1 HIS 12 1HE HIS 12 19.853 6.188 7.261 67 H GLN 13 H GLN 13 14.090 8.891 3.973 68 HA GLN 13 HA GLN 13 11.532 9.728 5.097 69 HB2 GLN 13 1HB GLN 13 12.347 11.575 3.753 70 HB3 GLN 13 2HB GLN 13 12.781 10.509 2.432 71 HG2 GLN 13 1HG GLN 13 10.692 11.538 1.812 72 HG3 GLN 13 2HG GLN 13 10.318 9.878 2.228 73 HE21 GLN 13 1HE2 GLN 13 9.872 13.190 2.957 74 HE22 GLN 13 2HE2 GLN 13 8.787 13.038 4.298 75 H TRP 14 H TRP 14 13.318 7.849 2.595 76 HA TRP 14 HA TRP 14 10.884 6.279 2.140 77 HB2 TRP 14 1HB TRP 14 13.420 6.540 0.516 78 HB3 TRP 14 2HB TRP 14 12.113 5.432 0.149 79 HD1 TRP 14 HD TRP 14 11.845 9.222 1.090 80 HE1 TRP 14 1HE TRP 14 10.502 10.538 -0.762 81 HE3 TRP 14 3HE TRP 14 11.239 5.256 -2.033 82 HZ2 TRP 14 2HZ TRP 14 9.363 9.789 -3.269 83 HZ3 TRP 14 3HZ TRP 14 10.000 5.633 -4.163 84 HH2 TRP 14 HH TRP 14 9.077 7.805 -4.800 85 H GLN 15 H GLN 15 14.478 5.986 2.638 86 HA GLN 15 HA GLN 15 14.626 3.321 2.969 87 HB2 GLN 15 1HB GLN 15 16.679 4.451 2.973 88 HB3 GLN 15 2HB GLN 15 16.150 5.640 4.146 89 HG2 GLN 15 1HG GLN 15 16.653 4.294 5.955 90 HG3 GLN 15 2HG GLN 15 16.174 2.822 5.134 91 HE21 GLN 15 1HE2 GLN 15 18.585 5.426 4.799 92 HE22 GLN 15 2HE2 GLN 15 19.953 4.417 4.463 93 H THR 16 H THR 16 13.552 5.786 5.354 94 HA THR 16 HA THR 16 13.504 4.195 7.622 95 HB THR 16 HB THR 16 13.209 6.645 7.633 96 HG1 THR 16 1HG THR 16 12.124 5.197 9.250 97 HG21 THR 16 1HG2 THR 16 10.467 6.078 6.389 98 HG22 THR 16 2HG2 THR 16 11.093 7.667 6.890 99 HG23 THR 16 3HG2 THR 16 11.826 6.818 5.508 100 H ASP 17 H ASP 17 11.340 4.246 4.811 101 HA ASP 17 HA ASP 17 9.345 2.750 6.166 102 HB2 ASP 17 1HB ASP 17 9.842 3.423 3.233 103 HB3 ASP 17 2HB ASP 17 8.467 2.469 3.754 104 H GLU 18 H GLU 18 12.365 2.150 4.514 105 HA GLU 18 HA GLU 18 11.708 -0.456 3.611 106 HB2 GLU 18 1HB GLU 18 13.439 0.961 2.515 107 HB3 GLU 18 2HB GLU 18 14.417 0.902 3.967 108 HG2 GLU 18 1HG GLU 18 14.942 -1.384 3.694 109 HG3 GLU 18 2HG GLU 18 13.523 -1.703 2.716 110 H GLU 19 H GLU 19 12.580 0.975 6.645 111 HA GLU 19 HA GLU 19 13.653 -1.523 7.629 112 HB2 GLU 19 1HB GLU 19 13.340 1.169 9.030 113 HB3 GLU 19 2HB GLU 19 14.184 -0.224 9.678 114 HG2 GLU 19 1HG GLU 19 15.568 -0.100 7.415 115 HG3 GLU 19 2HG GLU 19 14.970 1.545 7.347 116 H GLY 20 H GLY 20 11.017 0.865 8.361 117 HA2 GLY 20 1HA GLY 20 9.769 -0.486 10.420 118 HA3 GLY 20 2HA GLY 20 8.984 0.588 9.279 119 H VAL 21 H VAL 21 10.090 -1.411 7.065 120 HA VAL 21 HA VAL 21 7.681 -3.003 7.075 121 HB VAL 21 HB VAL 21 8.431 -1.804 5.076 122 HG11 VAL 21 1HG1 VAL 21 10.422 -2.938 3.829 123 HG12 VAL 21 2HG1 VAL 21 10.757 -1.744 5.107 124 HG13 VAL 21 3HG1 VAL 21 10.902 -3.484 5.454 125 HG21 VAL 21 1HG2 VAL 21 8.342 -3.764 3.483 126 HG22 VAL 21 2HG2 VAL 21 8.404 -4.831 4.906 127 HG23 VAL 21 3HG2 VAL 21 7.039 -3.709 4.695 128 H ARG 22 H ARG 22 11.110 -3.292 7.835 129 HA ARG 22 HA ARG 22 10.814 -6.175 7.873 130 HB2 ARG 22 1HB ARG 22 13.391 -6.006 8.349 131 HB3 ARG 22 2HB ARG 22 12.822 -5.646 6.732 132 HG2 ARG 22 1HG ARG 22 12.870 -3.227 7.195 133 HG3 ARG 22 2HG ARG 22 13.271 -3.518 8.876 134 HD2 ARG 22 1HD ARG 22 15.235 -4.954 7.420 135 HD3 ARG 22 2HD ARG 22 15.043 -3.453 6.536 136 HE ARG 22 HE ARG 22 15.882 -2.249 8.391 137 HH11 ARG 22 2HH2 ARG 22 15.318 -5.611 9.264 138 HH12 ARG 22 1HH2 ARG 22 16.168 -5.496 10.769 139 HH21 ARG 22 2HH1 ARG 22 17.003 -2.097 10.376 140 HH22 ARG 22 1HH1 ARG 22 17.133 -3.483 11.406 141 H THR 23 H THR 23 11.619 -3.290 9.869 142 HA THR 23 HA THR 23 12.062 -4.867 12.238 143 HB THR 23 HB THR 23 12.584 -2.716 13.213 144 HG1 THR 23 1HG THR 23 11.268 -1.656 10.815 145 HG21 THR 23 1HG2 THR 23 14.314 -2.071 11.836 146 HG22 THR 23 2HG2 THR 23 13.813 -3.447 10.825 147 HG23 THR 23 3HG2 THR 23 13.224 -1.809 10.454 148 H GLY 24 H GLY 24 9.470 -2.690 10.972 149 HA2 GLY 24 1HA GLY 24 7.202 -3.500 11.358 150 HA3 GLY 24 2HA GLY 24 7.683 -3.906 12.994 151 H LYS 25 H LYS 25 7.794 -1.044 10.744 152 HA LYS 25 HA LYS 25 6.203 0.548 12.388 153 HB2 LYS 25 1HB LYS 25 8.053 2.159 13.120 154 HB3 LYS 25 2HB LYS 25 7.845 0.685 14.043 155 HG2 LYS 25 1HG LYS 25 10.162 0.677 13.724 156 HG3 LYS 25 2HG LYS 25 9.643 -0.314 12.376 157 HD2 LYS 25 1HD LYS 25 9.804 1.562 10.827 158 HD3 LYS 25 2HD LYS 25 10.044 2.700 12.138 159 HE2 LYS 25 1HE LYS 25 11.964 0.450 11.367 160 HE3 LYS 25 2HE LYS 25 12.196 2.151 11.016 161 HZ1 LYS 25 1HZ LYS 25 13.323 1.969 12.945 162 HZ2 LYS 25 2HZ LYS 25 11.861 2.318 13.583 163 HZ3 LYS 25 3HZ LYS 25 12.391 0.774 13.553 164 H CYS 26 H CYS 26 6.184 -0.131 9.701 165 HA CYS 26 HA CYS 26 7.215 2.299 8.431 166 HB2 CYS 26 1HB CYS 26 8.200 0.323 7.447 167 HB3 CYS 26 2HB CYS 26 6.631 -0.433 7.249 168 HG CYS 26 HG CYS 26 6.988 2.594 6.102 169 H SER 27 H SER 27 5.181 3.226 9.584 170 HA SER 27 HA SER 27 2.921 2.797 7.797 171 HB2 SER 27 1HB SER 27 1.366 2.960 9.639 172 HB3 SER 27 2HB SER 27 2.556 1.746 10.063 173 HG SER 27 HG SER 27 2.067 4.273 11.213 174 H PHE 28 H PHE 28 1.765 4.707 7.201 175 HA PHE 28 HA PHE 28 2.737 7.198 8.373 176 HB2 PHE 28 1HB PHE 28 2.406 7.791 5.676 177 HB3 PHE 28 2HB PHE 28 3.958 7.414 6.397 178 HD1 PHE 28 1HD PHE 28 4.706 4.959 6.378 179 HD2 PHE 28 2HD PHE 28 1.524 6.433 3.987 180 HE1 PHE 28 1HE PHE 28 4.931 2.976 4.857 181 HE2 PHE 28 2HE PHE 28 1.749 4.449 2.466 182 HZ PHE 28 HZ PHE 28 3.450 2.744 2.919 183 HA PRO 29 HA PRO 29 -1.400 8.421 7.990 184 HB2 PRO 29 1HB PRO 29 -1.257 11.107 7.505 185 HB3 PRO 29 2HB PRO 29 -1.036 10.407 9.096 186 HG2 PRO 29 1HG PRO 29 1.000 11.499 7.253 187 HG3 PRO 29 2HG PRO 29 1.128 11.196 8.974 188 HD2 PRO 29 1HD PRO 29 2.229 9.595 6.864 189 HD3 PRO 29 2HD PRO 29 2.256 9.232 8.578 190 H VAL 30 H VAL 30 -2.798 7.700 6.524 191 HA VAL 30 HA VAL 30 -2.718 9.080 3.968 192 HB VAL 30 HB VAL 30 -2.393 7.228 2.653 193 HG11 VAL 30 1HG1 VAL 30 -0.424 5.975 3.551 194 HG12 VAL 30 2HG1 VAL 30 -0.291 7.741 3.722 195 HG13 VAL 30 3HG1 VAL 30 -0.711 6.740 5.133 196 HG21 VAL 30 1HG2 VAL 30 -2.935 5.394 5.012 197 HG22 VAL 30 2HG2 VAL 30 -4.124 5.833 3.763 198 HG23 VAL 30 3HG2 VAL 30 -2.668 4.910 3.320 199 H LYS 31 H LYS 31 -4.696 8.045 2.590 200 HA LYS 31 HA LYS 31 -6.908 7.759 4.503 201 HB2 LYS 31 1HB LYS 31 -6.663 9.485 2.045 202 HB3 LYS 31 2HB LYS 31 -8.233 8.939 2.599 203 HG2 LYS 31 1HG LYS 31 -8.252 10.542 4.199 204 HG3 LYS 31 2HG LYS 31 -6.796 9.874 4.910 205 HD2 LYS 31 1HD LYS 31 -6.070 12.032 4.370 206 HD3 LYS 31 2HD LYS 31 -5.557 11.147 2.946 207 HE2 LYS 31 1HE LYS 31 -7.051 12.225 1.581 208 HE3 LYS 31 2HE LYS 31 -8.350 12.118 2.753 209 HZ1 LYS 31 1HZ LYS 31 -6.205 14.107 2.643 210 HZ2 LYS 31 2HZ LYS 31 -7.818 14.357 2.590 211 HZ3 LYS 31 3HZ LYS 31 -7.108 13.898 3.987 212 H TYR 32 H TYR 32 -8.559 6.274 3.961 213 HA TYR 32 HA TYR 32 -7.692 4.315 1.977 214 HB2 TYR 32 1HB TYR 32 -8.260 3.745 4.407 215 HB3 TYR 32 2HB TYR 32 -9.871 4.388 4.158 216 HD1 TYR 32 2HD TYR 32 -8.253 2.468 1.479 217 HD2 TYR 32 1HD TYR 32 -10.890 2.263 4.842 218 HE1 TYR 32 2HE TYR 32 -9.054 0.177 0.721 219 HE2 TYR 32 1HE TYR 32 -11.682 -0.027 4.072 220 HH TYR 32 HH TYR 32 -10.949 -1.832 2.751 221 H LEU 33 H LEU 33 -8.425 4.790 -0.057 222 HA LEU 33 HA LEU 33 -10.891 6.161 -0.442 223 HB2 LEU 33 1HB LEU 33 -9.035 4.773 -2.380 224 HB3 LEU 33 2HB LEU 33 -10.407 5.764 -2.835 225 HG LEU 33 HG LEU 33 -8.141 6.846 -1.155 226 HD11 LEU 33 1HD1 LEU 33 -7.175 7.770 -3.228 227 HD12 LEU 33 2HD1 LEU 33 -7.134 5.991 -3.187 228 HD13 LEU 33 3HD1 LEU 33 -8.351 6.830 -4.178 229 HD21 LEU 33 1HD2 LEU 33 -9.049 8.956 -2.505 230 HD22 LEU 33 2HD2 LEU 33 -10.536 7.979 -2.516 231 HD23 LEU 33 3HD2 LEU 33 -9.772 8.419 -0.970 232 H GLY 34 H GLY 34 -9.721 2.772 -0.977 233 HA2 GLY 34 1HA GLY 34 -11.598 1.236 -0.079 234 HA3 GLY 34 2HA GLY 34 -12.511 1.944 -1.397 235 H HIS 35 H HIS 35 -12.576 -0.435 -2.069 236 HA HIS 35 HA HIS 35 -10.158 -1.031 -3.614 237 HB2 HIS 35 1HB HIS 35 -11.047 -3.466 -3.379 238 HB3 HIS 35 2HB HIS 35 -10.125 -2.737 -2.080 239 HD1 HIS 35 1HD HIS 35 -11.116 -3.754 -0.009 240 HD2 HIS 35 2HD HIS 35 -14.050 -2.360 -2.663 241 HE1 HIS 35 1HE HIS 35 -13.351 -4.020 1.193 242 H VAL 36 H VAL 36 -10.419 -1.425 -5.797 243 HA VAL 36 HA VAL 36 -13.203 -1.474 -6.740 244 HB VAL 36 HB VAL 36 -12.514 -0.165 -8.643 245 HG11 VAL 36 1HG1 VAL 36 -11.299 1.585 -6.632 246 HG12 VAL 36 2HG1 VAL 36 -12.821 1.762 -7.537 247 HG13 VAL 36 3HG1 VAL 36 -12.779 0.782 -6.052 248 HG21 VAL 36 1HG2 VAL 36 -10.090 -1.108 -8.520 249 HG22 VAL 36 2HG2 VAL 36 -10.347 0.550 -9.114 250 HG23 VAL 36 3HG2 VAL 36 -9.783 0.280 -7.447 251 H GLU 37 H GLU 37 -13.404 -2.512 -8.963 252 HA GLU 37 HA GLU 37 -11.818 -4.912 -8.887 253 HB2 GLU 37 1HB GLU 37 -14.474 -4.119 -9.897 254 HB3 GLU 37 2HB GLU 37 -13.606 -5.140 -11.025 255 HG2 GLU 37 1HG GLU 37 -14.406 -6.866 -9.756 256 HG3 GLU 37 2HG GLU 37 -13.090 -6.466 -8.669 257 H VAL 38 H VAL 38 -10.814 -5.805 -10.889 258 HA VAL 38 HA VAL 38 -10.105 -3.682 -12.790 259 HB VAL 38 HB VAL 38 -7.837 -4.499 -12.825 260 HG11 VAL 38 1HG1 VAL 38 -7.114 -3.446 -10.907 261 HG12 VAL 38 2HG1 VAL 38 -8.799 -2.877 -10.975 262 HG13 VAL 38 3HG1 VAL 38 -8.353 -4.211 -9.884 263 HG21 VAL 38 1HG2 VAL 38 -8.054 -6.829 -12.406 264 HG22 VAL 38 2HG2 VAL 38 -7.104 -6.168 -11.053 265 HG23 VAL 38 3HG2 VAL 38 -8.828 -6.549 -10.828 266 H ASP 39 H ASP 39 -8.637 -5.168 -14.598 267 HA ASP 39 HA ASP 39 -10.391 -7.395 -15.236 268 HB2 ASP 39 1HB ASP 39 -10.678 -5.023 -16.520 269 HB3 ASP 39 2HB ASP 39 -9.355 -5.666 -17.473 270 H GLU 40 H GLU 40 -7.383 -5.505 -15.998 271 HA GLU 40 HA GLU 40 -6.160 -7.775 -17.205 272 HB2 GLU 40 1HB GLU 40 -4.836 -5.159 -16.381 273 HB3 GLU 40 2HB GLU 40 -4.264 -6.301 -17.581 274 HG2 GLU 40 1HG GLU 40 -7.016 -5.083 -17.909 275 HG3 GLU 40 2HG GLU 40 -5.608 -4.124 -18.320 276 H SER 41 H SER 41 -5.856 -5.912 -14.123 277 HA SER 41 HA SER 41 -5.296 -6.678 -12.131 278 HB2 SER 41 1HB SER 41 -5.774 -9.064 -13.165 279 HB3 SER 41 2HB SER 41 -4.028 -9.200 -13.227 280 HG SER 41 HG SER 41 -3.916 -8.910 -10.954 281 H ARG 42 H ARG 42 -3.485 -5.828 -14.727 282 HA ARG 42 HA ARG 42 -1.255 -5.233 -13.091 283 HB2 ARG 42 1HB ARG 42 0.448 -6.351 -14.551 284 HB3 ARG 42 2HB ARG 42 -0.599 -7.515 -13.763 285 HG2 ARG 42 1HG ARG 42 -0.881 -8.371 -15.865 286 HG3 ARG 42 2HG ARG 42 -2.024 -7.059 -16.073 287 HD2 ARG 42 1HD ARG 42 -0.731 -6.265 -17.763 288 HD3 ARG 42 2HD ARG 42 0.517 -5.897 -16.589 289 HE ARG 42 HE ARG 42 0.604 -8.701 -17.266 290 HH11 ARG 42 2HH2 ARG 42 1.416 -5.526 -18.545 291 HH12 ARG 42 1HH2 ARG 42 2.680 -6.120 -19.569 292 HH21 ARG 42 2HH1 ARG 42 2.272 -9.486 -18.615 293 HH22 ARG 42 1HH1 ARG 42 3.171 -8.388 -19.609 294 H GLY 43 H GLY 43 -0.737 -3.151 -13.690 295 HA2 GLY 43 1HA GLY 43 -0.009 -2.258 -16.156 296 HA3 GLY 43 2HA GLY 43 -1.751 -2.068 -16.153 297 H MET 44 H MET 44 1.132 -0.503 -15.477 298 HA MET 44 HA MET 44 0.710 0.756 -13.089 299 HB2 MET 44 1HB MET 44 1.964 1.829 -15.678 300 HB3 MET 44 2HB MET 44 2.203 2.553 -14.100 301 HG2 MET 44 1HG MET 44 3.684 0.922 -13.427 302 HG3 MET 44 2HG MET 44 2.762 -0.369 -14.173 303 HE1 MET 44 1HE MET 44 3.547 -1.609 -16.100 304 HE2 MET 44 2HE MET 44 2.567 -0.418 -16.989 305 HE3 MET 44 3HE MET 44 4.187 -0.857 -17.581 306 H HIS 45 H HIS 45 -0.948 1.161 -16.159 307 HA HIS 45 HA HIS 45 -1.947 3.769 -15.443 308 HB2 HIS 45 1HB HIS 45 -3.075 3.690 -17.597 309 HB3 HIS 45 2HB HIS 45 -1.373 3.308 -17.761 310 HD1 HIS 45 1HD HIS 45 -0.734 0.951 -18.601 311 HD2 HIS 45 2HD HIS 45 -4.857 1.491 -18.051 312 HE1 HIS 45 1HE HIS 45 -1.870 -1.059 -19.688 313 H ILE 46 H ILE 46 -2.689 0.454 -14.843 314 HA ILE 46 HA ILE 46 -5.509 0.682 -14.760 315 HB ILE 46 HB ILE 46 -3.687 -1.291 -13.378 316 HG12 ILE 46 1HG1 ILE 46 -3.413 -0.977 -15.920 317 HG13 ILE 46 2HG1 ILE 46 -3.644 -2.599 -15.297 318 HG21 ILE 46 1HG2 ILE 46 -6.571 -0.962 -13.464 319 HG22 ILE 46 2HG2 ILE 46 -6.066 -2.536 -14.122 320 HG23 ILE 46 3HG2 ILE 46 -5.571 -2.058 -12.481 321 HD11 ILE 46 1HD1 ILE 46 -5.143 -1.460 -17.321 322 HD12 ILE 46 2HD1 ILE 46 -5.665 -2.845 -16.332 323 HD13 ILE 46 3HD1 ILE 46 -6.187 -1.199 -15.903 324 H CYS 47 H CYS 47 -2.983 0.572 -12.144 325 HA CYS 47 HA CYS 47 -4.502 0.929 -9.987 326 HB2 CYS 47 1HB CYS 47 -1.891 2.375 -10.549 327 HB3 CYS 47 2HB CYS 47 -2.610 2.167 -8.964 328 HG CYS 47 HG CYS 47 -1.384 0.178 -8.560 329 H GLU 48 H GLU 48 -3.295 3.569 -12.181 330 HA GLU 48 HA GLU 48 -4.491 5.648 -10.863 331 HB2 GLU 48 1HB GLU 48 -3.472 5.157 -13.631 332 HB3 GLU 48 2HB GLU 48 -4.544 6.530 -13.446 333 HG2 GLU 48 1HG GLU 48 -2.454 7.501 -12.995 334 HG3 GLU 48 2HG GLU 48 -3.033 7.147 -11.379 335 H ASP 49 H ASP 49 -5.762 3.572 -13.545 336 HA ASP 49 HA ASP 49 -8.097 4.896 -13.972 337 HB2 ASP 49 1HB ASP 49 -6.936 2.374 -14.646 338 HB3 ASP 49 2HB ASP 49 -8.532 2.010 -14.021 339 H ALA 50 H ALA 50 -7.044 2.841 -11.286 340 HA ALA 50 HA ALA 50 -9.581 2.100 -10.318 341 HB1 ALA 50 1HB ALA 50 -7.328 2.469 -8.407 342 HB2 ALA 50 2HB ALA 50 -8.364 1.051 -8.695 343 HB3 ALA 50 3HB ALA 50 -7.007 1.399 -9.793 344 H VAL 51 H VAL 51 -7.232 4.588 -9.072 345 HA VAL 51 HA VAL 51 -8.805 5.761 -7.223 346 HB VAL 51 HB VAL 51 -7.029 7.257 -9.156 347 HG11 VAL 51 1HG1 VAL 51 -7.106 7.850 -6.237 348 HG12 VAL 51 2HG1 VAL 51 -6.921 8.944 -7.628 349 HG13 VAL 51 3HG1 VAL 51 -8.530 8.318 -7.196 350 HG21 VAL 51 1HG2 VAL 51 -5.542 5.624 -8.564 351 HG22 VAL 51 2HG2 VAL 51 -5.342 6.699 -7.159 352 HG23 VAL 51 3HG2 VAL 51 -6.378 5.256 -7.036 353 H LYS 52 H LYS 52 -8.596 6.839 -10.694 354 HA LYS 52 HA LYS 52 -10.514 8.740 -10.657 355 HB2 LYS 52 1HB LYS 52 -9.792 6.729 -12.799 356 HB3 LYS 52 2HB LYS 52 -10.920 8.040 -13.079 357 HG2 LYS 52 1HG LYS 52 -9.162 9.410 -13.482 358 HG3 LYS 52 2HG LYS 52 -8.698 9.256 -11.799 359 HD2 LYS 52 1HD LYS 52 -6.899 7.973 -12.327 360 HD3 LYS 52 2HD LYS 52 -7.881 6.872 -13.273 361 HE2 LYS 52 1HE LYS 52 -7.037 9.592 -14.358 362 HE3 LYS 52 2HE LYS 52 -6.012 8.180 -14.521 363 HZ1 LYS 52 1HZ LYS 52 -8.063 8.862 -16.149 364 HZ2 LYS 52 2HZ LYS 52 -7.297 7.420 -16.127 365 HZ3 LYS 52 3HZ LYS 52 -8.677 7.625 -15.278 366 H ARG 53 H ARG 53 -11.009 5.171 -10.975 367 HA ARG 53 HA ARG 53 -13.665 5.177 -11.427 368 HB2 ARG 53 1HB ARG 53 -11.762 3.258 -10.890 369 HB3 ARG 53 2HB ARG 53 -12.719 3.158 -9.426 370 HG2 ARG 53 1HG ARG 53 -14.798 2.922 -10.856 371 HG3 ARG 53 2HG ARG 53 -13.778 2.903 -12.280 372 HD2 ARG 53 1HD ARG 53 -12.544 0.966 -10.745 373 HD3 ARG 53 2HD ARG 53 -14.209 0.776 -10.231 374 HE ARG 53 HE ARG 53 -13.117 0.120 -12.853 375 HH11 ARG 53 2HH2 ARG 53 -16.047 1.082 -11.158 376 HH12 ARG 53 1HH2 ARG 53 -17.109 0.406 -12.347 377 HH21 ARG 53 2HH1 ARG 53 -14.518 -0.772 -14.422 378 HH22 ARG 53 1HH1 ARG 53 -16.234 -0.656 -14.216 379 H LEU 54 H LEU 54 -11.996 5.079 -8.190 380 HA LEU 54 HA LEU 54 -14.393 5.248 -6.723 381 HB2 LEU 54 1HB LEU 54 -11.595 5.984 -5.860 382 HB3 LEU 54 2HB LEU 54 -12.952 5.607 -4.818 383 HG LEU 54 HG LEU 54 -12.006 3.558 -6.800 384 HD11 LEU 54 1HD1 LEU 54 -10.655 2.780 -4.601 385 HD12 LEU 54 2HD1 LEU 54 -9.935 3.732 -5.921 386 HD13 LEU 54 3HD1 LEU 54 -10.505 4.546 -4.444 387 HD21 LEU 54 1HD2 LEU 54 -13.789 2.595 -5.827 388 HD22 LEU 54 2HD2 LEU 54 -12.642 2.244 -4.511 389 HD23 LEU 54 3HD2 LEU 54 -13.722 3.655 -4.399 390 H LYS 55 H LYS 55 -12.418 7.583 -8.440 391 HA LYS 55 HA LYS 55 -13.326 9.835 -6.940 392 HB2 LYS 55 1HB LYS 55 -11.348 9.278 -8.912 393 HB3 LYS 55 2HB LYS 55 -12.380 10.538 -9.558 394 HG2 LYS 55 1HG LYS 55 -11.853 12.052 -7.854 395 HG3 LYS 55 2HG LYS 55 -11.533 10.792 -6.679 396 HD2 LYS 55 1HD LYS 55 -9.600 10.382 -8.712 397 HD3 LYS 55 2HD LYS 55 -9.676 12.122 -8.518 398 HE2 LYS 55 1HE LYS 55 -9.704 10.764 -5.911 399 HE3 LYS 55 2HE LYS 55 -8.302 10.296 -6.853 400 HZ1 LYS 55 1HZ LYS 55 -8.826 12.746 -5.596 401 HZ2 LYS 55 2HZ LYS 55 -7.440 12.224 -6.286 402 HZ3 LYS 55 3HZ LYS 55 -8.561 12.998 -7.188 403 H ALA 56 H ALA 56 -14.655 7.767 -9.388 404 HA ALA 56 HA ALA 56 -16.591 9.838 -10.132 405 HB1 ALA 56 1HB ALA 56 -16.965 7.475 -11.656 406 HB2 ALA 56 2HB ALA 56 -16.249 9.013 -12.194 407 HB3 ALA 56 3HB ALA 56 -15.206 7.724 -11.546 408 H THR 57 H THR 57 -16.063 7.090 -8.109 409 HA THR 57 HA THR 57 -18.729 6.081 -8.137 410 HB THR 57 HB THR 57 -16.283 5.148 -7.331 411 HG1 THR 57 1HG THR 57 -17.700 3.514 -6.311 412 HG21 THR 57 1HG2 THR 57 -16.302 4.911 -4.888 413 HG22 THR 57 2HG2 THR 57 -16.330 6.650 -5.269 414 HG23 THR 57 3HG2 THR 57 -17.827 5.823 -4.774 415 H GLY 58 H GLY 58 -17.257 8.913 -6.818 416 HA2 GLY 58 1HA GLY 58 -18.063 10.538 -5.493 417 HA3 GLY 58 2HA GLY 58 -19.666 9.907 -5.811 418 H LYS 59 H LYS 59 -16.694 9.129 -3.866 419 HA LYS 59 HA LYS 59 -18.502 8.476 -1.652 420 HB2 LYS 59 1HB LYS 59 -17.132 6.559 -3.057 421 HB3 LYS 59 2HB LYS 59 -15.997 6.921 -1.773 422 HG2 LYS 59 1HG LYS 59 -17.534 6.318 -0.061 423 HG3 LYS 59 2HG LYS 59 -18.926 6.498 -1.110 424 HD2 LYS 59 1HD LYS 59 -18.708 4.162 -1.021 425 HD3 LYS 59 2HD LYS 59 -17.846 4.537 -2.500 426 HE2 LYS 59 1HE LYS 59 -15.695 4.333 -1.428 427 HE3 LYS 59 2HE LYS 59 -16.400 4.380 0.175 428 HZ1 LYS 59 1HZ LYS 59 -16.733 2.227 -1.795 429 HZ2 LYS 59 2HZ LYS 59 -15.877 2.152 -0.406 430 HZ3 LYS 59 3HZ LYS 59 -17.505 2.280 -0.357 431 H LYS 60 H LYS 60 -16.014 7.807 -0.042 432 HA LYS 60 HA LYS 60 -14.605 10.327 0.002 433 HB2 LYS 60 1HB LYS 60 -16.480 9.490 2.225 434 HB3 LYS 60 2HB LYS 60 -15.159 10.614 2.473 435 HG2 LYS 60 1HG LYS 60 -16.228 11.787 0.289 436 HG3 LYS 60 2HG LYS 60 -17.672 10.964 0.847 437 HD2 LYS 60 1HD LYS 60 -17.444 12.029 3.083 438 HD3 LYS 60 2HD LYS 60 -15.957 12.807 2.579 439 HE2 LYS 60 1HE LYS 60 -17.658 13.612 0.560 440 HE3 LYS 60 2HE LYS 60 -18.782 13.495 1.899 441 HZ1 LYS 60 1HZ LYS 60 -18.001 15.500 2.387 442 HZ2 LYS 60 2HZ LYS 60 -16.702 14.735 3.014 443 HZ3 LYS 60 3HZ LYS 60 -16.640 15.338 1.498 444 H ALA 61 H ALA 61 -12.871 10.235 1.817 445 HA ALA 61 HA ALA 61 -11.863 7.480 1.847 446 HB1 ALA 61 1HB ALA 61 -9.783 8.343 1.488 447 HB2 ALA 61 2HB ALA 61 -10.694 9.736 0.857 448 HB3 ALA 61 3HB ALA 61 -10.077 9.759 2.526 449 H VAL 62 H VAL 62 -10.483 6.961 3.851 450 HA VAL 62 HA VAL 62 -11.821 8.117 6.200 451 HB VAL 62 HB VAL 62 -10.879 5.310 5.609 452 HG11 VAL 62 1HG1 VAL 62 -10.729 6.605 8.100 453 HG12 VAL 62 2HG1 VAL 62 -12.197 5.601 8.175 454 HG13 VAL 62 3HG1 VAL 62 -10.628 4.857 7.781 455 HG21 VAL 62 1HG2 VAL 62 -13.591 5.954 6.678 456 HG22 VAL 62 2HG2 VAL 62 -13.248 6.385 4.985 457 HG23 VAL 62 3HG2 VAL 62 -13.078 4.697 5.526 458 H LYS 63 H LYS 63 -10.540 8.796 7.923 459 HA LYS 63 HA LYS 63 -7.764 9.181 7.256 460 HB2 LYS 63 1HB LYS 63 -9.559 10.152 9.486 461 HB3 LYS 63 2HB LYS 63 -7.831 10.439 9.492 462 HG2 LYS 63 1HG LYS 63 -8.677 11.130 6.870 463 HG3 LYS 63 2HG LYS 63 -9.919 11.770 7.928 464 HD2 LYS 63 1HD LYS 63 -8.389 13.541 7.927 465 HD3 LYS 63 2HD LYS 63 -7.881 12.669 9.360 466 HE2 LYS 63 1HE LYS 63 -6.066 11.572 8.142 467 HE3 LYS 63 2HE LYS 63 -6.653 12.181 6.608 468 HZ1 LYS 63 1HZ LYS 63 -6.281 14.436 7.536 469 HZ2 LYS 63 2HZ LYS 63 -5.525 13.753 8.812 470 HZ3 LYS 63 3HZ LYS 63 -4.917 13.568 7.308 471 H ALA 64 H ALA 64 -6.545 7.340 7.424 472 HA ALA 64 HA ALA 64 -6.357 6.210 10.093 473 HB1 ALA 64 1HB ALA 64 -6.265 3.978 8.373 474 HB2 ALA 64 2HB ALA 64 -7.542 4.377 9.548 475 HB3 ALA 64 3HB ALA 64 -7.690 4.910 7.856 476 H VAL 65 H VAL 65 -4.395 4.639 10.146 477 HA VAL 65 HA VAL 65 -2.298 5.907 8.551 478 HB VAL 65 HB VAL 65 -2.256 4.299 11.110 479 HG11 VAL 65 1HG1 VAL 65 0.229 5.603 10.676 480 HG12 VAL 65 2HG1 VAL 65 -0.102 3.856 10.747 481 HG13 VAL 65 3HG1 VAL 65 -0.162 4.710 9.187 482 HG21 VAL 65 1HG2 VAL 65 -3.028 6.828 10.928 483 HG22 VAL 65 2HG2 VAL 65 -1.989 6.271 12.262 484 HG23 VAL 65 3HG2 VAL 65 -1.273 7.119 10.870 485 H LEU 66 H LEU 66 -1.309 4.825 6.918 486 HA LEU 66 HA LEU 66 -2.140 2.082 6.481 487 HB2 LEU 66 1HB LEU 66 -2.365 3.397 4.579 488 HB3 LEU 66 2HB LEU 66 -0.838 4.220 4.832 489 HG LEU 66 HG LEU 66 0.417 2.298 4.124 490 HD11 LEU 66 1HD1 LEU 66 -0.380 0.160 3.788 491 HD12 LEU 66 2HD1 LEU 66 -1.348 0.692 5.184 492 HD13 LEU 66 3HD1 LEU 66 -2.059 0.702 3.552 493 HD21 LEU 66 1HD2 LEU 66 -0.376 2.045 1.799 494 HD22 LEU 66 2HD2 LEU 66 -1.905 2.834 2.253 495 HD23 LEU 66 3HD2 LEU 66 -0.375 3.738 2.348 496 H TRP 67 H TRP 67 -1.007 0.457 7.388 497 HA TRP 67 HA TRP 67 1.783 0.958 8.065 498 HB2 TRP 67 1HB TRP 67 -0.131 -1.249 8.840 499 HB3 TRP 67 2HB TRP 67 1.555 -1.187 9.317 500 HD1 TRP 67 HD TRP 67 -1.576 1.136 9.691 501 HE1 TRP 67 1HE TRP 67 -1.537 2.363 12.027 502 HE3 TRP 67 3HE TRP 67 2.899 -0.751 11.196 503 HZ2 TRP 67 2HZ TRP 67 0.320 2.405 14.194 504 HZ3 TRP 67 3HZ TRP 67 3.753 -0.066 13.436 505 HH2 TRP 67 HH TRP 67 2.541 1.455 14.916 506 H VAL 68 H VAL 68 3.487 -0.298 7.182 507 HA VAL 68 HA VAL 68 2.684 -2.108 5.014 508 HB VAL 68 HB VAL 68 5.083 -0.286 4.923 509 HG11 VAL 68 1HG1 VAL 68 5.423 -1.044 2.802 510 HG12 VAL 68 2HG1 VAL 68 4.587 -2.477 3.447 511 HG13 VAL 68 3HG1 VAL 68 3.687 -1.279 2.485 512 HG21 VAL 68 1HG2 VAL 68 3.663 1.443 4.714 513 HG22 VAL 68 2HG2 VAL 68 3.293 0.769 3.109 514 HG23 VAL 68 3HG2 VAL 68 2.253 0.379 4.500 515 H SER 69 H SER 69 3.526 -4.125 5.203 516 HA SER 69 HA SER 69 6.033 -4.388 6.611 517 HB2 SER 69 1HB SER 69 3.529 -5.956 7.377 518 HB3 SER 69 2HB SER 69 5.136 -6.259 8.008 519 HG SER 69 HG SER 69 3.475 -3.933 8.405 520 H ALA 70 H ALA 70 6.998 -6.622 6.264 521 HA ALA 70 HA ALA 70 6.929 -7.339 3.606 522 HB1 ALA 70 1HB ALA 70 8.324 -9.172 4.273 523 HB2 ALA 70 2HB ALA 70 8.693 -7.825 5.376 524 HB3 ALA 70 3HB ALA 70 7.657 -9.165 5.923 525 H ASP 71 H ASP 71 4.909 -8.372 6.354 526 HA ASP 71 HA ASP 71 3.877 -10.641 5.105 527 HB2 ASP 71 1HB ASP 71 3.174 -8.902 7.444 528 HB3 ASP 71 2HB ASP 71 1.865 -9.874 6.801 529 H GLY 72 H GLY 72 3.468 -7.235 4.604 530 HA2 GLY 72 1HA GLY 72 2.144 -6.987 2.417 531 HA3 GLY 72 2HA GLY 72 0.805 -7.564 3.389 532 H LEU 73 H LEU 73 -0.505 -5.917 4.032 533 HA LEU 73 HA LEU 73 0.801 -3.535 5.113 534 HB2 LEU 73 1HB LEU 73 -1.652 -3.166 3.470 535 HB3 LEU 73 2HB LEU 73 -0.348 -2.048 3.820 536 HG LEU 73 HG LEU 73 0.251 -4.433 2.112 537 HD11 LEU 73 1HD1 LEU 73 -0.738 -3.653 0.193 538 HD12 LEU 73 2HD1 LEU 73 -1.960 -3.199 1.406 539 HD13 LEU 73 3HD1 LEU 73 -0.827 -1.976 0.782 540 HD21 LEU 73 1HD2 LEU 73 1.662 -2.175 2.959 541 HD22 LEU 73 2HD2 LEU 73 2.146 -3.346 1.708 542 HD23 LEU 73 3HD2 LEU 73 1.276 -1.863 1.249 543 H ARG 74 H ARG 74 -1.098 -2.117 6.189 544 HA ARG 74 HA ARG 74 -3.192 -3.740 7.211 545 HB2 ARG 74 1HB ARG 74 -0.745 -3.113 8.844 546 HB3 ARG 74 2HB ARG 74 -2.286 -2.937 9.660 547 HG2 ARG 74 1HG ARG 74 -2.594 -5.371 8.328 548 HG3 ARG 74 2HG ARG 74 -0.898 -5.399 8.768 549 HD2 ARG 74 1HD ARG 74 -1.768 -4.611 11.147 550 HD3 ARG 74 2HD ARG 74 -3.317 -5.212 10.590 551 HE ARG 74 HE ARG 74 -2.520 -7.397 10.826 552 HH11 ARG 74 2HH2 ARG 74 0.221 -5.195 10.679 553 HH12 ARG 74 1HH2 ARG 74 1.390 -6.423 11.031 554 HH21 ARG 74 2HH1 ARG 74 -0.978 -9.018 11.290 555 HH22 ARG 74 1HH1 ARG 74 0.704 -8.612 11.381 556 H VAL 75 H VAL 75 -4.863 -2.284 6.964 557 HA VAL 75 HA VAL 75 -4.311 0.540 7.236 558 HB VAL 75 HB VAL 75 -6.836 -0.968 6.528 559 HG11 VAL 75 1HG1 VAL 75 -6.129 1.978 6.322 560 HG12 VAL 75 2HG1 VAL 75 -7.558 1.225 5.574 561 HG13 VAL 75 3HG1 VAL 75 -7.384 1.239 7.346 562 HG21 VAL 75 1HG2 VAL 75 -4.576 0.137 4.858 563 HG22 VAL 75 2HG2 VAL 75 -5.330 -1.475 4.806 564 HG23 VAL 75 3HG2 VAL 75 -6.214 -0.059 4.189 565 H VAL 76 H VAL 76 -3.933 0.970 9.419 566 HA VAL 76 HA VAL 76 -5.769 -0.083 11.377 567 HB VAL 76 HB VAL 76 -3.226 1.484 11.366 568 HG11 VAL 76 1HG1 VAL 76 -5.296 1.511 13.552 569 HG12 VAL 76 2HG1 VAL 76 -3.563 1.574 13.955 570 HG13 VAL 76 3HG1 VAL 76 -4.286 2.838 12.931 571 HG21 VAL 76 1HG2 VAL 76 -3.930 -0.792 13.201 572 HG22 VAL 76 2HG2 VAL 76 -3.556 -1.113 11.491 573 HG23 VAL 76 3HG2 VAL 76 -2.350 -0.319 12.532 574 H ASP 77 H ASP 77 -7.060 1.282 12.808 575 HA ASP 77 HA ASP 77 -8.040 3.569 11.329 576 HB2 ASP 77 1HB ASP 77 -9.575 1.698 12.175 577 HB3 ASP 77 2HB ASP 77 -9.219 2.230 13.806 578 H GLU 78 H GLU 78 -6.854 5.413 11.942 579 HA GLU 78 HA GLU 78 -5.382 5.807 14.106 580 HB2 GLU 78 1HB GLU 78 -7.067 7.717 12.474 581 HB3 GLU 78 2HB GLU 78 -6.160 8.328 13.844 582 HG2 GLU 78 1HG GLU 78 -4.271 6.731 12.559 583 HG3 GLU 78 2HG GLU 78 -5.184 7.376 11.209 584 H LYS 79 H LYS 79 -8.915 5.753 13.976 585 HA LYS 79 HA LYS 79 -9.676 7.182 16.133 586 HB2 LYS 79 1HB LYS 79 -11.084 5.821 14.515 587 HB3 LYS 79 2HB LYS 79 -10.742 4.418 15.507 588 HG2 LYS 79 1HG LYS 79 -11.721 5.546 17.491 589 HG3 LYS 79 2HG LYS 79 -12.000 6.999 16.552 590 HD2 LYS 79 1HD LYS 79 -13.437 5.563 14.969 591 HD3 LYS 79 2HD LYS 79 -13.309 4.274 16.150 592 HE2 LYS 79 1HE LYS 79 -14.779 5.279 17.599 593 HE3 LYS 79 2HE LYS 79 -14.097 6.873 17.343 594 HZ1 LYS 79 1HZ LYS 79 -15.485 5.812 15.078 595 HZ2 LYS 79 2HZ LYS 79 -16.437 6.067 16.380 596 HZ3 LYS 79 3HZ LYS 79 -15.569 7.298 15.750 597 H THR 80 H THR 80 -9.055 3.611 16.398 598 HA THR 80 HA THR 80 -7.849 4.175 19.026 599 HB THR 80 HB THR 80 -10.258 3.219 19.022 600 HG1 THR 80 1HG THR 80 -8.424 2.985 20.672 601 HG21 THR 80 1HG2 THR 80 -8.662 0.856 17.915 602 HG22 THR 80 2HG2 THR 80 -10.187 0.649 18.809 603 HG23 THR 80 3HG2 THR 80 -10.173 1.539 17.268 604 H LYS 81 H LYS 81 -6.842 3.704 16.122 605 HA LYS 81 HA LYS 81 -5.053 2.761 15.234 606 HB2 LYS 81 1HB LYS 81 -4.550 2.238 18.137 607 HB3 LYS 81 2HB LYS 81 -3.549 1.409 16.962 608 HG2 LYS 81 1HG LYS 81 -4.000 4.430 17.024 609 HG3 LYS 81 2HG LYS 81 -2.595 3.624 17.691 610 HD2 LYS 81 1HD LYS 81 -2.417 2.558 15.251 611 HD3 LYS 81 2HD LYS 81 -3.404 3.932 14.792 612 HE2 LYS 81 1HE LYS 81 -1.150 4.679 16.563 613 HE3 LYS 81 2HE LYS 81 -0.620 3.942 15.065 614 HZ1 LYS 81 1HZ LYS 81 -1.454 6.504 15.395 615 HZ2 LYS 81 2HZ LYS 81 -1.194 5.750 13.970 616 HZ3 LYS 81 3HZ LYS 81 -2.697 5.793 14.609 617 H ASP 82 H ASP 82 -7.765 1.268 16.129 618 HA ASP 82 HA ASP 82 -7.259 -1.393 16.273 619 HB2 ASP 82 1HB ASP 82 -9.499 0.286 15.882 620 HB3 ASP 82 2HB ASP 82 -9.533 -0.793 14.502 621 H LEU 83 H LEU 83 -8.460 -2.733 14.100 622 HA LEU 83 HA LEU 83 -6.653 -2.049 11.885 623 HB2 LEU 83 1HB LEU 83 -6.245 -4.176 13.244 624 HB3 LEU 83 2HB LEU 83 -7.712 -4.797 12.513 625 HG LEU 83 HG LEU 83 -5.377 -5.346 11.480 626 HD11 LEU 83 1HD1 LEU 83 -7.846 -4.575 9.918 627 HD12 LEU 83 2HD1 LEU 83 -6.436 -5.367 9.176 628 HD13 LEU 83 3HD1 LEU 83 -7.339 -6.189 10.471 629 HD21 LEU 83 1HD2 LEU 83 -4.711 -2.928 11.360 630 HD22 LEU 83 2HD2 LEU 83 -4.539 -3.835 9.838 631 HD23 LEU 83 3HD2 LEU 83 -5.913 -2.726 10.063 632 H ILE 84 H ILE 84 -7.646 -1.323 10.088 633 HA ILE 84 HA ILE 84 -10.518 -1.659 9.909 634 HB ILE 84 HB ILE 84 -8.626 -0.106 8.141 635 HG12 ILE 84 1HG1 ILE 84 -10.281 0.951 10.448 636 HG13 ILE 84 2HG1 ILE 84 -8.579 0.554 10.579 637 HG21 ILE 84 1HG2 ILE 84 -10.407 0.675 7.007 638 HG22 ILE 84 2HG2 ILE 84 -11.175 -0.828 7.573 639 HG23 ILE 84 3HG2 ILE 84 -11.455 0.698 8.445 640 HD11 ILE 84 1HD1 ILE 84 -9.363 3.026 9.953 641 HD12 ILE 84 2HD1 ILE 84 -7.906 2.322 9.212 642 HD13 ILE 84 3HD1 ILE 84 -9.441 2.345 8.310 643 H VAL 85 H VAL 85 -7.524 -2.425 8.024 644 HA VAL 85 HA VAL 85 -8.945 -4.699 6.907 645 HB VAL 85 HB VAL 85 -7.732 -2.462 5.282 646 HG11 VAL 85 1HG1 VAL 85 -6.918 -4.608 4.412 647 HG12 VAL 85 2HG1 VAL 85 -8.589 -5.216 4.329 648 HG13 VAL 85 3HG1 VAL 85 -8.083 -3.860 3.293 649 HG21 VAL 85 1HG2 VAL 85 -9.909 -1.828 5.443 650 HG22 VAL 85 2HG2 VAL 85 -10.105 -3.006 4.123 651 HG23 VAL 85 3HG2 VAL 85 -10.480 -3.475 5.798 652 H ASP 86 H ASP 86 -7.447 -6.312 5.996 653 HA ASP 86 HA ASP 86 -4.712 -5.837 6.873 654 HB2 ASP 86 1HB ASP 86 -5.442 -7.307 8.555 655 HB3 ASP 86 2HB ASP 86 -6.582 -8.118 7.499 656 H GLN 87 H GLN 87 -3.796 -5.640 4.780 657 HA GLN 87 HA GLN 87 -4.572 -7.660 2.843 658 HB2 GLN 87 1HB GLN 87 -4.779 -5.359 2.054 659 HB3 GLN 87 2HB GLN 87 -3.136 -4.989 2.538 660 HG2 GLN 87 1HG GLN 87 -2.910 -5.391 0.223 661 HG3 GLN 87 2HG GLN 87 -2.427 -6.922 0.924 662 HE21 GLN 87 1HE2 GLN 87 -3.167 -8.570 -0.153 663 HE22 GLN 87 2HE2 GLN 87 -4.722 -8.734 -0.899 664 H THR 88 H THR 88 -3.019 -9.028 1.836 665 HA THR 88 HA THR 88 -0.430 -9.084 3.235 666 HB THR 88 HB THR 88 -1.655 -11.102 3.692 667 HG1 THR 88 1HG THR 88 -0.280 -11.747 1.214 668 HG21 THR 88 1HG2 THR 88 -3.476 -11.287 2.207 669 HG22 THR 88 2HG2 THR 88 -2.493 -10.835 0.794 670 HG23 THR 88 3HG2 THR 88 -2.350 -12.466 1.492 671 H ILE 89 H ILE 89 1.480 -9.051 2.125 672 HA ILE 89 HA ILE 89 1.545 -7.798 -0.321 673 HB ILE 89 HB ILE 89 3.337 -8.316 1.556 674 HG12 ILE 89 1HG1 ILE 89 5.099 -7.615 -0.105 675 HG13 ILE 89 2HG1 ILE 89 3.903 -7.789 -1.374 676 HG21 ILE 89 1HG2 ILE 89 4.857 -10.004 1.133 677 HG22 ILE 89 2HG2 ILE 89 3.310 -10.785 0.727 678 HG23 ILE 89 3HG2 ILE 89 4.364 -10.172 -0.570 679 HD11 ILE 89 1HD1 ILE 89 3.296 -6.098 1.071 680 HD12 ILE 89 2HD1 ILE 89 4.232 -5.433 -0.289 681 HD13 ILE 89 3HD1 ILE 89 2.570 -6.012 -0.552 682 H GLU 90 H GLU 90 1.395 -11.282 0.496 683 HA GLU 90 HA GLU 90 2.100 -12.405 -1.829 684 HB2 GLU 90 1HB GLU 90 -0.306 -13.204 -0.132 685 HB3 GLU 90 2HB GLU 90 0.539 -14.251 -1.255 686 HG2 GLU 90 1HG GLU 90 1.649 -13.018 1.303 687 HG3 GLU 90 2HG GLU 90 1.382 -14.719 0.978 688 H LYS 91 H LYS 91 -1.395 -11.746 -1.047 689 HA LYS 91 HA LYS 91 -2.439 -12.146 -3.499 690 HB2 LYS 91 1HB LYS 91 -3.226 -10.030 -1.474 691 HB3 LYS 91 2HB LYS 91 -4.223 -10.544 -2.820 692 HG2 LYS 91 1HG LYS 91 -3.354 -12.158 -0.399 693 HG3 LYS 91 2HG LYS 91 -4.982 -11.849 -0.969 694 HD2 LYS 91 1HD LYS 91 -4.146 -13.137 -3.150 695 HD3 LYS 91 2HD LYS 91 -2.924 -13.775 -2.068 696 HE2 LYS 91 1HE LYS 91 -5.479 -13.926 -0.720 697 HE3 LYS 91 2HE LYS 91 -5.673 -14.597 -2.327 698 HZ1 LYS 91 1HZ LYS 91 -4.209 -15.623 -0.126 699 HZ2 LYS 91 2HZ LYS 91 -4.753 -16.394 -1.460 700 HZ3 LYS 91 3HZ LYS 91 -3.320 -15.610 -1.497 701 H VAL 92 H VAL 92 -1.236 -8.938 -2.277 702 HA VAL 92 HA VAL 92 -1.615 -7.408 -4.434 703 HB VAL 92 HB VAL 92 0.852 -7.570 -2.692 704 HG11 VAL 92 1HG1 VAL 92 0.124 -4.938 -3.761 705 HG12 VAL 92 2HG1 VAL 92 1.708 -5.746 -3.680 706 HG13 VAL 92 3HG1 VAL 92 0.596 -6.101 -5.024 707 HG21 VAL 92 1HG2 VAL 92 -1.775 -6.085 -2.437 708 HG22 VAL 92 2HG2 VAL 92 -1.045 -7.246 -1.302 709 HG23 VAL 92 3HG2 VAL 92 -0.317 -5.636 -1.520 710 H SER 93 H SER 93 -1.397 -7.910 -6.557 711 HA SER 93 HA SER 93 0.728 -9.672 -7.325 712 HB2 SER 93 1HB SER 93 -1.776 -9.517 -8.219 713 HB3 SER 93 2HB SER 93 -1.111 -8.298 -9.289 714 HG SER 93 HG SER 93 0.014 -10.952 -9.013 715 H PHE 94 H PHE 94 -0.376 -6.278 -7.964 716 HA PHE 94 HA PHE 94 2.394 -5.605 -8.563 717 HB2 PHE 94 1HB PHE 94 1.068 -6.101 -10.703 718 HB3 PHE 94 2HB PHE 94 -0.086 -4.869 -10.233 719 HD1 PHE 94 2HD PHE 94 3.629 -4.760 -10.020 720 HD2 PHE 94 1HD PHE 94 0.132 -3.241 -11.884 721 HE1 PHE 94 2HE PHE 94 5.008 -3.021 -11.192 722 HE2 PHE 94 1HE PHE 94 1.512 -1.502 -13.056 723 HZ PHE 94 HZ PHE 94 3.933 -1.413 -12.696 724 H CYS 95 H CYS 95 2.742 -3.186 -8.553 725 HA CYS 95 HA CYS 95 0.645 -1.637 -7.358 726 HB2 CYS 95 1HB CYS 95 2.188 -0.956 -5.419 727 HB3 CYS 95 2HB CYS 95 1.338 -2.483 -5.291 728 HG CYS 95 HG CYS 95 4.034 -2.311 -4.510 729 H ALA 96 H ALA 96 0.781 0.158 -8.662 730 HA ALA 96 HA ALA 96 3.485 1.130 -9.287 731 HB1 ALA 96 1HB ALA 96 1.026 1.392 -11.053 732 HB2 ALA 96 2HB ALA 96 2.718 1.744 -11.475 733 HB3 ALA 96 3HB ALA 96 2.199 0.063 -11.208 734 HA PRO 97 HA PRO 97 2.132 4.858 -7.562 735 HB2 PRO 97 1HB PRO 97 3.782 6.665 -8.778 736 HB3 PRO 97 2HB PRO 97 4.283 5.667 -7.428 737 HG2 PRO 97 1HG PRO 97 4.970 5.392 -10.290 738 HG3 PRO 97 2HG PRO 97 5.772 4.695 -8.896 739 HD2 PRO 97 1HD PRO 97 4.017 3.345 -10.720 740 HD3 PRO 97 2HD PRO 97 4.727 2.680 -9.262 741 H ASP 98 H ASP 98 1.944 7.439 -8.485 742 HA ASP 98 HA ASP 98 0.036 7.045 -10.654 743 HB2 ASP 98 1HB ASP 98 -1.354 8.837 -9.637 744 HB3 ASP 98 2HB ASP 98 -1.174 7.472 -8.553 745 H ARG 99 H ARG 99 -0.562 9.657 -11.315 746 HA ARG 99 HA ARG 99 1.572 11.422 -11.119 747 HB2 ARG 99 1HB ARG 99 2.202 11.375 -13.619 748 HB3 ARG 99 2HB ARG 99 2.825 10.055 -12.649 749 HG2 ARG 99 1HG ARG 99 0.473 8.925 -13.394 750 HG3 ARG 99 2HG ARG 99 0.670 10.022 -14.746 751 HD2 ARG 99 1HD ARG 99 2.112 8.538 -15.680 752 HD3 ARG 99 2HD ARG 99 3.235 8.859 -14.374 753 HE ARG 99 HE ARG 99 1.151 6.967 -13.599 754 HH11 ARG 99 2HH2 ARG 99 4.261 7.279 -15.217 755 HH12 ARG 99 1HH2 ARG 99 4.715 5.631 -14.940 756 HH21 ARG 99 2HH1 ARG 99 1.750 4.792 -13.234 757 HH22 ARG 99 1HH1 ARG 99 3.277 4.206 -13.804 758 H ASN 100 H ASN 100 -0.878 12.084 -10.539 759 HA ASN 100 HA ASN 100 -1.649 13.831 -12.634 760 HB2 ASN 100 1HB ASN 100 -3.588 11.643 -11.714 761 HB3 ASN 100 2HB ASN 100 -4.045 13.013 -12.707 762 HD21 ASN 100 1HD2 ASN 100 -3.266 9.854 -12.770 763 HD22 ASN 100 2HD2 ASN 100 -2.658 9.672 -14.382 764 H PHE 101 H PHE 101 -2.486 12.151 -9.534 765 HA PHE 101 HA PHE 101 -3.833 14.516 -8.553 766 HB2 PHE 101 1HB PHE 101 -3.095 11.946 -7.059 767 HB3 PHE 101 2HB PHE 101 -4.464 12.995 -6.747 768 HD1 PHE 101 2HD PHE 101 -3.129 10.404 -8.985 769 HD2 PHE 101 1HD PHE 101 -6.505 12.777 -7.994 770 HE1 PHE 101 2HE PHE 101 -4.579 8.938 -10.416 771 HE2 PHE 101 1HE PHE 101 -7.955 11.311 -9.425 772 HZ PHE 101 HZ PHE 101 -6.975 9.409 -10.619 773 H ASP 102 H ASP 102 -3.227 14.497 -5.844 774 HA ASP 102 HA ASP 102 -0.577 15.597 -5.958 775 HB2 ASP 102 1HB ASP 102 -2.870 15.648 -3.979 776 HB3 ASP 102 2HB ASP 102 -1.266 16.093 -3.431 777 H ARG 103 H ARG 103 -2.427 12.853 -4.641 778 HA ARG 103 HA ARG 103 -0.104 11.416 -4.123 779 HB2 ARG 103 1HB ARG 103 -0.301 11.181 -1.646 780 HB3 ARG 103 2HB ARG 103 0.044 12.839 -2.100 781 HG2 ARG 103 1HG ARG 103 -2.702 12.893 -2.142 782 HG3 ARG 103 2HG ARG 103 -2.440 11.673 -0.912 783 HD2 ARG 103 1HD ARG 103 -1.354 13.167 0.546 784 HD3 ARG 103 2HD ARG 103 -0.810 14.211 -0.752 785 HE ARG 103 HE ARG 103 -3.717 14.160 -0.539 786 HH11 ARG 103 2HH2 ARG 103 -0.796 15.611 0.781 787 HH12 ARG 103 1HH2 ARG 103 -1.604 17.037 1.342 788 HH21 ARG 103 2HH1 ARG 103 -4.784 16.042 0.200 789 HH22 ARG 103 1HH1 ARG 103 -3.888 17.284 1.009 790 H ALA 104 H ALA 104 -1.453 10.050 -5.542 791 HA ALA 104 HA ALA 104 -3.555 8.667 -4.023 792 HB1 ALA 104 1HB ALA 104 -4.046 10.294 -6.160 793 HB2 ALA 104 2HB ALA 104 -3.778 8.739 -6.985 794 HB3 ALA 104 3HB ALA 104 -5.040 8.879 -5.737 795 H PHE 105 H PHE 105 -2.615 6.757 -3.449 796 HA PHE 105 HA PHE 105 -1.021 5.422 -5.519 797 HB2 PHE 105 1HB PHE 105 0.330 5.820 -3.559 798 HB3 PHE 105 2HB PHE 105 -1.023 5.576 -2.473 799 HD1 PHE 105 2HD PHE 105 1.111 3.709 -4.893 800 HD2 PHE 105 1HD PHE 105 -1.234 3.552 -1.360 801 HE1 PHE 105 2HE PHE 105 1.847 1.340 -4.510 802 HE2 PHE 105 1HE PHE 105 -0.498 1.183 -0.977 803 HZ PHE 105 HZ PHE 105 1.034 0.105 -2.557 804 H SER 106 H SER 106 -1.449 3.248 -6.037 805 HA SER 106 HA SER 106 -3.519 1.930 -4.537 806 HB2 SER 106 1HB SER 106 -5.004 2.880 -6.081 807 HB3 SER 106 2HB SER 106 -3.827 2.882 -7.380 808 HG SER 106 HG SER 106 -5.366 0.674 -6.355 809 H TYR 107 H TYR 107 -3.747 -0.430 -5.314 810 HA TYR 107 HA TYR 107 -1.554 -1.397 -6.926 811 HB2 TYR 107 1HB TYR 107 -0.633 -2.727 -5.066 812 HB3 TYR 107 2HB TYR 107 -0.752 -1.077 -4.488 813 HD1 TYR 107 2HD TYR 107 -2.742 -4.256 -4.563 814 HD2 TYR 107 1HD TYR 107 -1.783 -0.668 -2.439 815 HE1 TYR 107 2HE TYR 107 -4.143 -5.040 -2.592 816 HE2 TYR 107 1HE TYR 107 -3.188 -1.464 -0.475 817 HH TYR 107 HH TYR 107 -5.335 -4.075 -0.736 818 H ILE 108 H ILE 108 -1.892 -3.548 -7.684 819 HA ILE 108 HA ILE 108 -4.664 -4.357 -7.477 820 HB ILE 108 HB ILE 108 -2.431 -5.491 -9.162 821 HG12 ILE 108 1HG1 ILE 108 -4.359 -3.224 -9.699 822 HG13 ILE 108 2HG1 ILE 108 -2.608 -3.189 -9.751 823 HG21 ILE 108 1HG2 ILE 108 -5.283 -5.643 -9.976 824 HG22 ILE 108 2HG2 ILE 108 -3.953 -6.803 -10.205 825 HG23 ILE 108 3HG2 ILE 108 -4.771 -6.687 -8.629 826 HD11 ILE 108 1HD1 ILE 108 -3.508 -3.301 -12.037 827 HD12 ILE 108 2HD1 ILE 108 -2.639 -4.809 -11.664 828 HD13 ILE 108 3HD1 ILE 108 -4.419 -4.775 -11.629 829 H CYS 109 H CYS 109 -5.369 -6.418 -6.743 830 HA CYS 109 HA CYS 109 -3.425 -8.205 -5.638 831 HB2 CYS 109 1HB CYS 109 -4.169 -8.136 -3.344 832 HB3 CYS 109 2HB CYS 109 -3.636 -6.534 -3.815 833 HG CYS 109 HG CYS 109 -5.918 -5.479 -4.237 834 H ARG 110 H ARG 110 -4.498 -10.276 -5.007 835 HA ARG 110 HA ARG 110 -6.805 -10.663 -6.636 836 HB2 ARG 110 1HB ARG 110 -4.938 -12.326 -6.588 837 HB3 ARG 110 2HB ARG 110 -5.223 -12.611 -4.883 838 HG2 ARG 110 1HG ARG 110 -7.760 -12.960 -6.093 839 HG3 ARG 110 2HG ARG 110 -6.636 -13.711 -7.208 840 HD2 ARG 110 1HD ARG 110 -6.427 -14.284 -4.232 841 HD3 ARG 110 2HD ARG 110 -7.614 -15.130 -5.205 842 HE ARG 110 HE ARG 110 -4.790 -15.650 -5.168 843 HH11 ARG 110 2HH2 ARG 110 -7.495 -15.466 -7.410 844 HH12 ARG 110 1HH2 ARG 110 -6.798 -16.576 -8.542 845 HH21 ARG 110 2HH1 ARG 110 -3.869 -17.115 -6.661 846 HH22 ARG 110 1HH1 ARG 110 -4.722 -17.521 -8.113 847 H ASP 111 H ASP 111 -8.868 -10.390 -5.847 848 HA ASP 111 HA ASP 111 -9.549 -9.680 -3.394 849 HB2 ASP 111 1HB ASP 111 -11.007 -10.006 -5.515 850 HB3 ASP 111 2HB ASP 111 -11.237 -11.659 -4.982 851 H GLY 112 H GLY 112 -10.605 -10.881 -1.536 852 HA2 GLY 112 1HA GLY 112 -9.736 -13.703 -1.361 853 HA3 GLY 112 2HA GLY 112 -9.441 -12.556 -0.069 854 H THR 113 H THR 113 -12.368 -12.732 -2.175 855 HA THR 113 HA THR 113 -13.894 -13.854 0.042 856 HB THR 113 HB THR 113 -15.585 -11.890 -0.453 857 HG1 THR 113 1HG THR 113 -12.948 -10.926 -1.317 858 HG21 THR 113 1HG2 THR 113 -12.920 -11.534 0.996 859 HG22 THR 113 2HG2 THR 113 -14.159 -10.257 0.980 860 HG23 THR 113 3HG2 THR 113 -14.519 -11.838 1.714 861 H THR 114 H THR 114 -14.007 -12.515 -3.322 862 HA THR 114 HA THR 114 -16.048 -14.509 -3.948 863 HB THR 114 HB THR 114 -14.905 -12.084 -5.431 864 HG1 THR 114 1HG THR 114 -16.361 -11.373 -3.871 865 HG21 THR 114 1HG2 THR 114 -17.394 -12.700 -6.513 866 HG22 THR 114 2HG2 THR 114 -15.838 -13.079 -7.289 867 HG23 THR 114 3HG2 THR 114 -16.669 -14.313 -6.312 868 H ARG 115 H ARG 115 -13.933 -13.452 -6.507 869 HA ARG 115 HA ARG 115 -12.006 -15.406 -6.300 870 HB2 ARG 115 1HB ARG 115 -13.007 -16.781 -8.378 871 HB3 ARG 115 2HB ARG 115 -13.403 -17.224 -6.729 872 HG2 ARG 115 1HG ARG 115 -15.591 -16.552 -6.931 873 HG3 ARG 115 2HG ARG 115 -15.175 -15.121 -7.853 874 HD2 ARG 115 1HD ARG 115 -16.452 -16.648 -9.287 875 HD3 ARG 115 2HD ARG 115 -14.810 -16.546 -9.889 876 HE ARG 115 HE ARG 115 -14.983 -18.714 -8.012 877 HH11 ARG 115 2HH2 ARG 115 -16.004 -17.839 -11.263 878 HH12 ARG 115 1HH2 ARG 115 -16.056 -19.476 -11.826 879 HH21 ARG 115 2HH1 ARG 115 -15.052 -20.874 -8.753 880 HH22 ARG 115 1HH1 ARG 115 -15.511 -21.215 -10.388 881 H ARG 116 H ARG 116 -11.920 -12.732 -6.951 882 HA ARG 116 HA ARG 116 -11.112 -12.889 -9.718 883 HB2 ARG 116 1HB ARG 116 -12.196 -10.750 -10.288 884 HB3 ARG 116 2HB ARG 116 -13.408 -11.874 -9.705 885 HG2 ARG 116 1HG ARG 116 -13.469 -10.814 -7.518 886 HG3 ARG 116 2HG ARG 116 -12.042 -9.859 -7.868 887 HD2 ARG 116 1HD ARG 116 -14.863 -9.501 -8.887 888 HD3 ARG 116 2HD ARG 116 -13.760 -8.297 -8.251 889 HE ARG 116 HE ARG 116 -12.691 -8.144 -10.375 890 HH11 ARG 116 2HH2 ARG 116 -15.155 -10.656 -10.355 891 HH12 ARG 116 1HH2 ARG 116 -15.185 -10.819 -12.079 892 HH21 ARG 116 2HH1 ARG 116 -12.730 -8.359 -12.650 893 HH22 ARG 116 1HH1 ARG 116 -13.796 -9.504 -13.393 894 H TRP 117 H TRP 117 -10.332 -10.170 -10.041 895 HA TRP 117 HA TRP 117 -8.261 -9.984 -7.972 896 HB2 TRP 117 1HB TRP 117 -8.261 -8.763 -10.734 897 HB3 TRP 117 2HB TRP 117 -6.934 -8.804 -9.591 898 HD1 TRP 117 HD TRP 117 -9.017 -11.330 -11.713 899 HE1 TRP 117 1HE TRP 117 -7.562 -13.441 -12.335 900 HE3 TRP 117 3HE TRP 117 -4.937 -9.971 -8.999 901 HZ2 TRP 117 2HZ TRP 117 -4.927 -14.288 -11.638 902 HZ3 TRP 117 3HZ TRP 117 -2.965 -11.496 -9.024 903 HH2 TRP 117 HH TRP 117 -2.917 -13.590 -10.284 904 H ILE 118 H ILE 118 -8.015 -8.036 -6.814 905 HA ILE 118 HA ILE 118 -9.948 -5.931 -7.467 906 HB ILE 118 HB ILE 118 -9.368 -7.071 -4.731 907 HG12 ILE 118 1HG1 ILE 118 -11.011 -8.180 -6.523 908 HG13 ILE 118 2HG1 ILE 118 -11.346 -8.171 -4.803 909 HG21 ILE 118 1HG2 ILE 118 -10.944 -5.438 -3.870 910 HG22 ILE 118 2HG2 ILE 118 -9.593 -4.619 -4.690 911 HG23 ILE 118 3HG2 ILE 118 -11.172 -4.760 -5.500 912 HD11 ILE 118 1HD1 ILE 118 -13.335 -7.432 -6.054 913 HD12 ILE 118 2HD1 ILE 118 -12.701 -6.085 -5.079 914 HD13 ILE 118 3HD1 ILE 118 -12.389 -6.139 -6.830 915 H CYS 119 H CYS 119 -9.252 -3.782 -6.974 916 HA CYS 119 HA CYS 119 -6.375 -3.648 -6.429 917 HB2 CYS 119 1HB CYS 119 -7.139 -3.060 -8.800 918 HB3 CYS 119 2HB CYS 119 -7.911 -1.648 -8.106 919 HG CYS 119 HG CYS 119 -5.936 -0.369 -8.493 920 H HIS 120 H HIS 120 -5.706 -2.029 -4.923 921 HA HIS 120 HA HIS 120 -7.940 -0.730 -3.540 922 HB2 HIS 120 1HB HIS 120 -5.333 -1.848 -2.496 923 HB3 HIS 120 2HB HIS 120 -6.310 -0.727 -1.568 924 HD1 HIS 120 1HD HIS 120 -7.772 -1.898 0.068 925 HD2 HIS 120 2HD HIS 120 -7.195 -4.167 -3.413 926 HE1 HIS 120 1HE HIS 120 -9.064 -4.072 0.409 927 H CYS 121 H CYS 121 -7.480 1.434 -2.618 928 HA CYS 121 HA CYS 121 -5.225 2.754 -3.912 929 HB2 CYS 121 1HB CYS 121 -7.957 4.048 -3.896 930 HB3 CYS 121 2HB CYS 121 -6.522 4.537 -4.775 931 HG CYS 121 HG CYS 121 -7.610 3.611 -6.728 932 H PHE 122 H PHE 122 -4.556 4.715 -2.728 933 HA PHE 122 HA PHE 122 -5.903 5.190 -0.206 934 HB2 PHE 122 1HB PHE 122 -2.927 4.473 -0.532 935 HB3 PHE 122 2HB PHE 122 -3.686 4.915 0.985 936 HD1 PHE 122 2HD PHE 122 -3.826 2.360 -1.715 937 HD2 PHE 122 1HD PHE 122 -4.601 3.267 2.357 938 HE1 PHE 122 2HE PHE 122 -4.362 -0.053 -1.279 939 HE2 PHE 122 1HE PHE 122 -5.137 0.854 2.793 940 HZ PHE 122 HZ PHE 122 -5.011 -0.777 0.970 941 H MET 123 H MET 123 -6.065 7.364 0.067 942 HA MET 123 HA MET 123 -4.364 9.011 -1.577 943 HB2 MET 123 1HB MET 123 -7.030 9.180 -0.297 944 HB3 MET 123 2HB MET 123 -6.104 10.648 -0.048 945 HG2 MET 123 1HG MET 123 -6.164 9.458 -2.826 946 HG3 MET 123 2HG MET 123 -7.592 10.298 -2.256 947 HE1 MET 123 1HE MET 123 -4.597 11.224 -4.484 948 HE2 MET 123 2HE MET 123 -6.360 11.030 -4.635 949 HE3 MET 123 3HE MET 123 -5.637 12.656 -4.675 950 H ALA 124 H ALA 124 -2.339 9.252 -0.641 951 HA ALA 124 HA ALA 124 -1.684 9.180 1.984 952 HB1 ALA 124 1HB ALA 124 -0.302 11.254 0.349 953 HB2 ALA 124 2HB ALA 124 0.368 9.873 1.252 954 HB3 ALA 124 3HB ALA 124 -0.368 9.618 -0.349 955 H VAL 125 H VAL 125 -1.134 10.912 3.559 956 HA VAL 125 HA VAL 125 -3.231 12.933 3.511 957 HB VAL 125 HB VAL 125 -1.435 11.776 5.636 958 HG11 VAL 125 1HG1 VAL 125 -2.990 13.340 7.123 959 HG12 VAL 125 2HG1 VAL 125 -1.447 13.920 6.452 960 HG13 VAL 125 3HG1 VAL 125 -2.980 14.338 5.649 961 HG21 VAL 125 1HG2 VAL 125 -3.277 10.677 6.414 962 HG22 VAL 125 2HG2 VAL 125 -4.401 11.955 5.894 963 HG23 VAL 125 3HG2 VAL 125 -3.751 10.803 4.703 964 H LYS 126 H LYS 126 0.273 12.787 4.488 965 HA LYS 126 HA LYS 126 0.577 15.388 3.163 966 HB2 LYS 126 1HB LYS 126 2.020 16.132 4.981 967 HB3 LYS 126 2HB LYS 126 0.413 15.758 5.571 968 HG2 LYS 126 1HG LYS 126 1.382 13.375 6.092 969 HG3 LYS 126 2HG LYS 126 2.955 14.122 5.893 970 HD2 LYS 126 1HD LYS 126 1.393 15.864 7.570 971 HD3 LYS 126 2HD LYS 126 1.186 14.234 8.181 972 HE2 LYS 126 1HE LYS 126 3.683 13.942 8.211 973 HE3 LYS 126 2HE LYS 126 3.873 15.586 7.634 974 HZ1 LYS 126 1HZ LYS 126 3.611 16.307 9.682 975 HZ2 LYS 126 2HZ LYS 126 2.174 15.552 9.858 976 HZ3 LYS 126 3HZ LYS 126 3.558 14.769 10.230 977 H ASP 127 H ASP 127 0.991 12.928 1.871 978 HA ASP 127 HA ASP 127 3.850 13.123 1.525 979 HB2 ASP 127 1HB ASP 127 2.464 10.415 1.698 980 HB3 ASP 127 2HB ASP 127 4.186 10.716 1.583 981 H THR 128 H THR 128 4.205 11.155 -0.431 982 HA THR 128 HA THR 128 2.081 11.704 -2.397 983 HB THR 128 HB THR 128 4.008 13.135 -2.899 984 HG1 THR 128 1HG THR 128 4.328 12.201 -4.996 985 HG21 THR 128 1HG2 THR 128 6.181 11.792 -3.562 986 HG22 THR 128 2HG2 THR 128 5.922 12.180 -1.845 987 HG23 THR 128 3HG2 THR 128 5.551 10.550 -2.454 988 H GLY 129 H GLY 129 1.637 10.067 -3.934 989 HA2 GLY 129 1HA GLY 129 1.477 7.515 -3.020 990 HA3 GLY 129 2HA GLY 129 1.524 7.954 -4.716 991 H GLU 130 H GLU 130 4.213 9.037 -4.826 992 HA GLU 130 HA GLU 130 5.637 6.881 -5.504 993 HB2 GLU 130 1HB GLU 130 6.123 9.662 -5.166 994 HB3 GLU 130 2HB GLU 130 7.432 8.853 -4.328 995 HG2 GLU 130 1HG GLU 130 8.196 9.070 -6.580 996 HG3 GLU 130 2HG GLU 130 7.715 7.391 -6.433 997 H ARG 131 H ARG 131 6.028 8.633 -2.332 998 HA ARG 131 HA ARG 131 7.786 6.935 -1.209 999 HB2 ARG 131 1HB ARG 131 5.444 8.334 0.180 1000 HB3 ARG 131 2HB ARG 131 6.867 7.720 0.999 1001 HG2 ARG 131 1HG ARG 131 8.076 9.261 -0.912 1002 HG3 ARG 131 2HG ARG 131 6.571 10.142 -0.740 1003 HD2 ARG 131 1HD ARG 131 7.640 9.394 1.889 1004 HD3 ARG 131 2HD ARG 131 8.831 10.289 0.967 1005 HE ARG 131 HE ARG 131 6.408 11.361 2.113 1006 HH11 ARG 131 2HH2 ARG 131 8.501 11.664 -0.700 1007 HH12 ARG 131 1HH2 ARG 131 8.065 13.312 -1.005 1008 HH21 ARG 131 2HH1 ARG 131 5.833 13.535 1.710 1009 HH22 ARG 131 1HH1 ARG 131 6.538 14.384 0.375 1010 H LEU 132 H LEU 132 4.173 6.705 -1.255 1011 HA LEU 132 HA LEU 132 3.993 4.444 0.380 1012 HB2 LEU 132 1HB LEU 132 2.168 5.582 -1.736 1013 HB3 LEU 132 2HB LEU 132 1.741 4.213 -0.730 1014 HG LEU 132 HG LEU 132 2.361 5.896 1.235 1015 HD11 LEU 132 1HD1 LEU 132 2.197 7.605 -1.156 1016 HD12 LEU 132 2HD1 LEU 132 1.198 8.143 0.215 1017 HD13 LEU 132 3HD1 LEU 132 2.948 7.904 0.429 1018 HD21 LEU 132 1HD2 LEU 132 0.138 4.738 0.544 1019 HD22 LEU 132 2HD2 LEU 132 0.094 6.157 1.617 1020 HD23 LEU 132 3HD2 LEU 132 -0.288 6.337 -0.112 1021 H SER 133 H SER 133 4.713 4.903 -3.077 1022 HA SER 133 HA SER 133 4.266 2.223 -3.770 1023 HB2 SER 133 1HB SER 133 4.863 2.889 -5.890 1024 HB3 SER 133 2HB SER 133 4.597 4.479 -5.203 1025 HG SER 133 HG SER 133 6.865 4.688 -4.823 1026 H HIS 134 H HIS 134 6.818 3.923 -2.096 1027 HA HIS 134 HA HIS 134 8.856 2.028 -2.771 1028 HB2 HIS 134 1HB HIS 134 9.482 4.319 -2.383 1029 HB3 HIS 134 2HB HIS 134 8.720 4.325 -0.805 1030 HD1 HIS 134 1HD HIS 134 9.985 3.154 1.164 1031 HD2 HIS 134 2HD HIS 134 12.030 3.088 -2.498 1032 HE1 HIS 134 1HE HIS 134 12.377 2.444 1.694 1033 H ALA 135 H ALA 135 6.776 2.807 0.087 1034 HA ALA 135 HA ALA 135 7.840 0.852 1.765 1035 HB1 ALA 135 1HB ALA 135 6.446 1.942 3.146 1036 HB2 ALA 135 2HB ALA 135 5.736 2.797 1.756 1037 HB3 ALA 135 3HB ALA 135 5.049 1.245 2.292 1038 H VAL 136 H VAL 136 4.943 0.791 -0.425 1039 HA VAL 136 HA VAL 136 4.259 -1.853 0.126 1040 HB VAL 136 HB VAL 136 2.765 -0.243 -0.895 1041 HG11 VAL 136 1HG1 VAL 136 4.073 -0.458 -3.573 1042 HG12 VAL 136 2HG1 VAL 136 3.100 0.858 -2.874 1043 HG13 VAL 136 3HG1 VAL 136 4.797 0.647 -2.380 1044 HG21 VAL 136 1HG2 VAL 136 1.960 -2.354 -1.347 1045 HG22 VAL 136 2HG2 VAL 136 2.141 -1.716 -2.998 1046 HG23 VAL 136 3HG2 VAL 136 3.375 -2.808 -2.326 1047 H GLY 137 H GLY 137 6.536 -0.374 -2.229 1048 HA2 GLY 137 1HA GLY 137 7.096 -2.858 -3.552 1049 HA3 GLY 137 2HA GLY 137 7.933 -1.329 -3.737 1050 H CYS 138 H CYS 138 8.030 -1.409 -0.532 1051 HA CYS 138 HA CYS 138 10.666 -2.484 -0.489 1052 HB2 CYS 138 1HB CYS 138 8.904 -1.039 1.457 1053 HB3 CYS 138 2HB CYS 138 10.263 -1.948 2.086 1054 HG CYS 138 HG CYS 138 11.235 -0.573 -0.540 1055 H ALA 139 H ALA 139 7.531 -3.206 1.225 1056 HA ALA 139 HA ALA 139 8.370 -5.503 2.504 1057 HB1 ALA 139 1HB ALA 139 5.884 -4.107 1.888 1058 HB2 ALA 139 2HB ALA 139 5.661 -5.873 1.848 1059 HB3 ALA 139 3HB ALA 139 6.309 -5.090 3.310 1060 H PHE 140 H PHE 140 6.929 -5.051 -0.785 1061 HA PHE 140 HA PHE 140 6.656 -7.685 -1.474 1062 HB2 PHE 140 1HB PHE 140 6.436 -5.154 -2.630 1063 HB3 PHE 140 2HB PHE 140 7.819 -5.786 -3.502 1064 HD1 PHE 140 1HD PHE 140 4.261 -6.429 -2.714 1065 HD2 PHE 140 2HD PHE 140 7.544 -7.370 -5.233 1066 HE1 PHE 140 1HE PHE 140 2.721 -7.672 -4.256 1067 HE2 PHE 140 2HE PHE 140 6.003 -8.614 -6.775 1068 HZ PHE 140 HZ PHE 140 3.610 -8.750 -6.269 1069 H ALA 141 H ALA 141 9.544 -5.542 -2.025 1070 HA ALA 141 HA ALA 141 11.124 -7.498 -3.204 1071 HB1 ALA 141 1HB ALA 141 11.704 -5.174 -3.373 1072 HB2 ALA 141 2HB ALA 141 11.767 -4.995 -1.603 1073 HB3 ALA 141 3HB ALA 141 13.003 -5.960 -2.445 1074 H ALA 142 H ALA 142 10.524 -6.643 0.236 1075 HA ALA 142 HA ALA 142 12.552 -8.278 1.290 1076 HB1 ALA 142 1HB ALA 142 9.923 -7.465 2.586 1077 HB2 ALA 142 2HB ALA 142 11.455 -7.868 3.398 1078 HB3 ALA 142 3HB ALA 142 11.326 -6.380 2.431 1079 H CYS 143 H CYS 143 8.956 -8.796 1.061 1080 HA CYS 143 HA CYS 143 8.953 -11.379 1.958 1081 HB2 CYS 143 1HB CYS 143 6.936 -9.973 1.582 1082 HB3 CYS 143 2HB CYS 143 7.116 -10.191 -0.148 1083 HG CYS 143 HG CYS 143 5.462 -11.828 1.736 1084 H LEU 144 H LEU 144 9.267 -10.096 -1.427 1085 HA LEU 144 HA LEU 144 9.458 -12.559 -2.690 1086 HB2 LEU 144 1HB LEU 144 10.266 -9.756 -3.330 1087 HB3 LEU 144 2HB LEU 144 10.849 -11.053 -4.354 1088 HG LEU 144 HG LEU 144 7.987 -10.230 -3.846 1089 HD11 LEU 144 1HD1 LEU 144 9.170 -8.929 -5.524 1090 HD12 LEU 144 2HD1 LEU 144 9.651 -10.418 -6.372 1091 HD13 LEU 144 3HD1 LEU 144 7.934 -9.955 -6.289 1092 HD21 LEU 144 1HD2 LEU 144 7.604 -12.175 -5.599 1093 HD22 LEU 144 2HD2 LEU 144 9.060 -12.841 -4.822 1094 HD23 LEU 144 3HD2 LEU 144 7.615 -12.484 -3.846 1095 H GLU 145 H GLU 145 12.032 -10.394 -1.345 1096 HA GLU 145 HA GLU 145 14.237 -11.609 -2.114 1097 HB2 GLU 145 1HB GLU 145 13.465 -9.957 0.084 1098 HB3 GLU 145 2HB GLU 145 14.468 -11.227 0.755 1099 HG2 GLU 145 1HG GLU 145 15.823 -10.512 -1.601 1100 HG3 GLU 145 2HG GLU 145 15.223 -8.979 -1.001 1101 H ARG 146 H ARG 146 12.316 -12.685 0.784 1102 HA ARG 146 HA ARG 146 13.777 -14.755 1.568 1103 HB2 ARG 146 1HB ARG 146 10.848 -14.159 1.527 1104 HB3 ARG 146 2HB ARG 146 11.243 -15.845 1.794 1105 HG2 ARG 146 1HG ARG 146 11.423 -15.187 3.988 1106 HG3 ARG 146 2HG ARG 146 13.038 -14.707 3.504 1107 HD2 ARG 146 1HD ARG 146 11.404 -12.515 2.762 1108 HD3 ARG 146 2HD ARG 146 10.770 -13.024 4.314 1109 HE ARG 146 HE ARG 146 13.377 -11.812 3.816 1110 HH11 ARG 146 2HH2 ARG 146 11.583 -13.917 5.991 1111 HH12 ARG 146 1HH2 ARG 146 12.615 -13.608 7.348 1112 HH21 ARG 146 2HH1 ARG 146 14.739 -11.404 5.606 1113 HH22 ARG 146 1HH1 ARG 146 14.422 -12.169 7.127 1114 H LYS 147 H LYS 147 11.431 -14.707 -1.184 1115 HA LYS 147 HA LYS 147 11.934 -17.469 -1.795 1116 HB2 LYS 147 1HB LYS 147 10.503 -15.558 -3.619 1117 HB3 LYS 147 2HB LYS 147 10.227 -17.269 -3.365 1118 HG2 LYS 147 1HG LYS 147 9.586 -16.607 -0.916 1119 HG3 LYS 147 2HG LYS 147 9.501 -14.964 -1.518 1120 HD2 LYS 147 1HD LYS 147 7.968 -17.291 -2.766 1121 HD3 LYS 147 2HD LYS 147 7.289 -16.237 -1.541 1122 HE2 LYS 147 1HE LYS 147 8.423 -14.517 -3.528 1123 HE3 LYS 147 2HE LYS 147 7.560 -15.768 -4.402 1124 HZ1 LYS 147 1HZ LYS 147 5.648 -15.307 -2.969 1125 HZ2 LYS 147 2HZ LYS 147 6.458 -14.073 -2.271 1126 HZ3 LYS 147 3HZ LYS 147 6.083 -14.009 -3.859 1127 H GLN 148 H GLN 148 12.520 -14.289 -3.459 1128 HA GLN 148 HA GLN 148 14.073 -15.420 -5.457 1129 HB2 GLN 148 1HB GLN 148 14.159 -12.573 -4.362 1130 HB3 GLN 148 2HB GLN 148 14.780 -13.084 -5.919 1131 HG2 GLN 148 1HG GLN 148 12.052 -14.020 -5.686 1132 HG3 GLN 148 2HG GLN 148 12.087 -12.325 -5.243 1133 HE21 GLN 148 1HE2 GLN 148 12.533 -10.774 -6.725 1134 HE22 GLN 148 2HE2 GLN 148 12.709 -11.057 -8.424 1135 H LYS 149 H LYS 149 16.493 -14.047 -5.611 1136 HA LYS 149 HA LYS 149 17.893 -14.934 -3.186 1137 HB2 LYS 149 1HB LYS 149 19.714 -15.746 -4.575 1138 HB3 LYS 149 2HB LYS 149 18.218 -16.560 -4.987 1139 HG2 LYS 149 1HG LYS 149 18.993 -16.023 -7.120 1140 HG3 LYS 149 2HG LYS 149 17.988 -14.624 -6.797 1141 HD2 LYS 149 1HD LYS 149 19.861 -13.234 -6.288 1142 HD3 LYS 149 2HD LYS 149 20.923 -14.602 -6.021 1143 HE2 LYS 149 1HE LYS 149 21.469 -14.747 -8.232 1144 HE3 LYS 149 2HE LYS 149 19.795 -14.637 -8.739 1145 HZ1 LYS 149 1HZ LYS 149 20.332 -12.617 -9.405 1146 HZ2 LYS 149 2HZ LYS 149 20.371 -12.157 -7.839 1147 HZ3 LYS 149 3HZ LYS 149 21.750 -12.596 -8.596 1148 H ARG 150 H ARG 150 19.752 -13.684 -2.577 1149 HA ARG 150 HA ARG 150 19.698 -11.060 -3.835 1150 HB2 ARG 150 1HB ARG 150 18.977 -10.987 -1.480 1151 HB3 ARG 150 2HB ARG 150 20.395 -11.883 -0.973 1152 HG2 ARG 150 1HG ARG 150 21.433 -9.890 -0.655 1153 HG3 ARG 150 2HG ARG 150 21.471 -9.708 -2.397 1154 HD2 ARG 150 1HD ARG 150 18.822 -9.006 -1.362 1155 HD3 ARG 150 2HD ARG 150 20.063 -8.083 -0.536 1156 HE ARG 150 HE ARG 150 20.755 -7.966 -3.255 1157 HH11 ARG 150 2HH2 ARG 150 17.987 -7.034 -1.292 1158 HH12 ARG 150 1HH2 ARG 150 17.529 -5.726 -2.332 1159 HH21 ARG 150 2HH1 ARG 150 20.151 -6.241 -4.626 1160 HH22 ARG 150 1HH1 ARG 150 18.768 -5.272 -4.241 1161 H SER 151 H SER 151 21.656 -10.191 -4.601 1162 HA SER 151 HA SER 151 23.898 -12.020 -4.456 1163 HB2 SER 151 1HB SER 151 23.129 -11.272 -6.699 1164 HB3 SER 151 2HB SER 151 23.404 -9.601 -6.249 1165 HG SER 151 HG SER 151 25.243 -10.228 -7.364 1166 H GLY 152 H GLY 152 25.858 -11.457 -3.469 1167 HA2 GLY 152 1HA GLY 152 27.295 -10.316 -2.174 1168 HA3 GLY 152 2HA GLY 152 26.728 -8.852 -2.953 1169 HA PRO 153 HA PRO 153 25.168 -9.203 1.437 1170 HB2 PRO 153 1HB PRO 153 27.143 -8.015 2.906 1171 HB3 PRO 153 2HB PRO 153 26.968 -9.753 2.764 1172 HG2 PRO 153 1HG PRO 153 28.947 -7.979 1.470 1173 HG3 PRO 153 2HG PRO 153 29.006 -9.717 1.685 1174 HD2 PRO 153 1HD PRO 153 28.378 -8.308 -0.733 1175 HD3 PRO 153 2HD PRO 153 28.325 -10.042 -0.486 1176 H SER 154 H SER 154 23.850 -7.677 2.357 1177 HA SER 154 HA SER 154 24.570 -4.956 1.750 1178 HB2 SER 154 1HB SER 154 22.249 -4.492 0.851 1179 HB3 SER 154 2HB SER 154 23.255 -5.464 -0.205 1180 HG SER 154 HG SER 154 21.228 -6.465 -0.113 1181 H SER 155 H SER 155 24.888 -5.108 4.145 1182 HA SER 155 HA SER 155 22.521 -5.575 5.683 1183 HB2 SER 155 1HB SER 155 25.357 -4.761 6.449 1184 HB3 SER 155 2HB SER 155 24.080 -5.014 7.622 1185 HG SER 155 HG SER 155 24.044 -7.189 7.207 1186 H GLY 156 H GLY 156 24.908 -2.843 5.313 1187 HA2 GLY 156 1HA GLY 156 24.039 -0.659 4.748 1188 HA3 GLY 156 2HA GLY 156 22.668 -0.972 5.792 Start of MODEL 2 1 H1 GLY 1 H GLY 1 24.838 -14.034 3.211 2 HA2 GLY 1 1HA GLY 1 26.261 -11.868 4.630 3 HA3 GLY 1 2HA GLY 1 26.813 -12.672 3.174 4 H SER 2 H SER 2 26.385 -11.713 1.224 5 HA SER 2 HA SER 2 25.598 -10.328 -0.248 6 HB2 SER 2 1HB SER 2 23.052 -10.669 1.383 7 HB3 SER 2 2HB SER 2 23.090 -9.715 -0.086 8 HG SER 2 HG SER 2 22.774 -12.360 0.111 9 H SER 3 H SER 3 27.052 -8.613 0.400 10 HA SER 3 HA SER 3 26.374 -6.850 2.462 11 HB2 SER 3 1HB SER 3 28.301 -6.571 0.115 12 HB3 SER 3 2HB SER 3 28.207 -5.421 1.433 13 HG SER 3 HG SER 3 29.213 -8.084 1.415 14 H GLY 4 H GLY 4 25.687 -4.584 2.289 15 HA2 GLY 4 1HA GLY 4 24.417 -2.909 1.495 16 HA3 GLY 4 2HA GLY 4 24.948 -3.349 -0.116 17 H SER 5 H SER 5 22.407 -2.422 0.031 18 HA SER 5 HA SER 5 20.780 -4.841 0.066 19 HB2 SER 5 1HB SER 5 20.312 -2.064 0.966 20 HB3 SER 5 2HB SER 5 19.011 -2.685 -0.030 21 HG SER 5 HG SER 5 19.621 -3.281 2.577 22 H SER 6 H SER 6 21.028 -1.594 -1.573 23 HA SER 6 HA SER 6 21.072 -2.817 -4.107 24 HB2 SER 6 1HB SER 6 18.927 -1.771 -4.944 25 HB3 SER 6 2HB SER 6 18.692 -3.101 -3.827 26 HG SER 6 HG SER 6 18.474 -1.443 -2.101 27 H GLY 7 H GLY 7 22.660 -1.511 -4.953 28 HA2 GLY 7 1HA GLY 7 23.315 0.460 -5.984 29 HA3 GLY 7 2HA GLY 7 22.169 1.370 -5.020 30 H ALA 8 H ALA 8 23.001 2.599 -3.389 31 HA ALA 8 HA ALA 8 24.921 1.664 -1.590 32 HB1 ALA 8 1HB ALA 8 26.116 3.761 -3.400 33 HB2 ALA 8 2HB ALA 8 26.928 2.630 -2.292 34 HB3 ALA 8 3HB ALA 8 26.251 2.038 -3.827 35 H SER 9 H SER 9 24.003 2.628 0.154 36 HA SER 9 HA SER 9 23.230 4.158 1.484 37 HB2 SER 9 1HB SER 9 24.906 5.836 -0.364 38 HB3 SER 9 2HB SER 9 23.821 6.680 0.724 39 HG SER 9 HG SER 9 25.742 4.681 1.568 40 H ARG 10 H ARG 10 21.197 5.122 1.788 41 HA ARG 10 HA ARG 10 19.868 5.956 -0.662 42 HB2 ARG 10 1HB ARG 10 18.815 4.213 1.606 43 HB3 ARG 10 2HB ARG 10 17.718 5.065 0.538 44 HG2 ARG 10 1HG ARG 10 19.870 3.554 -0.865 45 HG3 ARG 10 2HG ARG 10 18.760 2.549 0.045 46 HD2 ARG 10 1HD ARG 10 17.308 4.619 -1.450 47 HD3 ARG 10 2HD ARG 10 18.318 3.668 -2.520 48 HE ARG 10 HE ARG 10 16.780 2.048 -0.616 49 HH11 ARG 10 2HH2 ARG 10 16.768 3.586 -3.781 50 HH12 ARG 10 1HH2 ARG 10 15.543 2.544 -4.424 51 HH21 ARG 10 2HH1 ARG 10 15.164 0.672 -1.464 52 HH22 ARG 10 1HH1 ARG 10 14.625 0.875 -3.098 53 HA PRO 11 HA PRO 11 18.777 9.475 1.671 54 HB2 PRO 11 1HB PRO 11 16.521 10.343 0.395 55 HB3 PRO 11 2HB PRO 11 18.139 10.638 -0.211 56 HG2 PRO 11 1HG PRO 11 16.120 8.709 -1.181 57 HG3 PRO 11 2HG PRO 11 17.543 9.316 -2.004 58 HD2 PRO 11 1HD PRO 11 17.239 6.742 -0.775 59 HD3 PRO 11 2HD PRO 11 18.697 7.394 -1.496 60 H HIS 12 H HIS 12 16.836 10.690 2.791 61 HA HIS 12 HA HIS 12 15.700 8.597 4.441 62 HB2 HIS 12 1HB HIS 12 16.328 11.479 4.748 63 HB3 HIS 12 2HB HIS 12 14.891 10.926 5.583 64 HD1 HIS 12 1HD HIS 12 17.382 11.855 7.171 65 HD2 HIS 12 2HD HIS 12 16.600 7.864 6.141 66 HE1 HIS 12 1HE HIS 12 18.672 10.419 8.840 67 H GLN 13 H GLN 13 13.333 9.045 5.220 68 HA GLN 13 HA GLN 13 11.223 9.569 4.795 69 HB2 GLN 13 1HB GLN 13 12.147 11.492 3.305 70 HB3 GLN 13 2HB GLN 13 11.876 10.414 1.951 71 HG2 GLN 13 1HG GLN 13 9.494 10.273 2.424 72 HG3 GLN 13 2HG GLN 13 9.690 11.070 3.973 73 HE21 GLN 13 1HE2 GLN 13 8.583 12.884 3.768 74 HE22 GLN 13 2HE2 GLN 13 8.819 14.104 2.561 75 H TRP 14 H TRP 14 13.200 8.013 2.233 76 HA TRP 14 HA TRP 14 10.961 6.251 1.594 77 HB2 TRP 14 1HB TRP 14 13.632 6.735 0.271 78 HB3 TRP 14 2HB TRP 14 12.527 5.464 -0.214 79 HD1 TRP 14 HD TRP 14 12.118 9.327 0.348 80 HE1 TRP 14 1HE TRP 14 10.689 10.388 -1.600 81 HE3 TRP 14 3HE TRP 14 11.336 4.973 -2.158 82 HZ2 TRP 14 2HZ TRP 14 9.420 9.311 -3.918 83 HZ3 TRP 14 3HZ TRP 14 9.992 5.065 -4.255 84 HH2 TRP 14 HH TRP 14 9.047 7.137 -5.141 85 H GLN 15 H GLN 15 14.504 6.116 2.432 86 HA GLN 15 HA GLN 15 14.728 3.468 2.815 87 HB2 GLN 15 1HB GLN 15 16.719 4.699 2.994 88 HB3 GLN 15 2HB GLN 15 16.033 5.855 4.119 89 HG2 GLN 15 1HG GLN 15 16.437 4.521 5.962 90 HG3 GLN 15 2HG GLN 15 16.094 3.035 5.099 91 HE21 GLN 15 1HE2 GLN 15 18.467 5.270 6.137 92 HE22 GLN 15 2HE2 GLN 15 19.881 4.484 5.518 93 H THR 16 H THR 16 13.291 5.895 5.032 94 HA THR 16 HA THR 16 13.115 4.353 7.325 95 HB THR 16 HB THR 16 12.651 6.770 7.253 96 HG1 THR 16 1HG THR 16 11.478 5.276 8.765 97 HG21 THR 16 1HG2 THR 16 11.379 6.495 4.914 98 HG22 THR 16 2HG2 THR 16 9.967 6.218 5.961 99 HG23 THR 16 3HG2 THR 16 10.865 7.751 6.065 100 H ASP 17 H ASP 17 10.900 4.494 4.482 101 HA ASP 17 HA ASP 17 9.034 2.774 5.638 102 HB2 ASP 17 1HB ASP 17 9.671 3.367 2.710 103 HB3 ASP 17 2HB ASP 17 8.249 2.493 3.241 104 H GLU 18 H GLU 18 12.230 2.299 4.505 105 HA GLU 18 HA GLU 18 11.730 -0.380 3.559 106 HB2 GLU 18 1HB GLU 18 13.344 1.218 2.407 107 HB3 GLU 18 2HB GLU 18 14.390 1.088 3.807 108 HG2 GLU 18 1HG GLU 18 14.913 -1.170 3.388 109 HG3 GLU 18 2HG GLU 18 13.436 -1.459 2.490 110 H GLU 19 H GLU 19 12.969 1.400 6.369 111 HA GLU 19 HA GLU 19 14.064 -0.990 7.515 112 HB2 GLU 19 1HB GLU 19 15.029 0.402 9.125 113 HB3 GLU 19 2HB GLU 19 14.932 1.482 7.749 114 HG2 GLU 19 1HG GLU 19 12.707 2.326 8.640 115 HG3 GLU 19 2HG GLU 19 12.944 1.332 10.063 116 H GLY 20 H GLY 20 11.243 1.211 7.939 117 HA2 GLY 20 1HA GLY 20 10.213 0.080 10.285 118 HA3 GLY 20 2HA GLY 20 9.319 0.978 9.075 119 H VAL 21 H VAL 21 10.576 -1.284 7.130 120 HA VAL 21 HA VAL 21 8.273 -3.040 7.502 121 HB VAL 21 HB VAL 21 8.534 -1.921 5.354 122 HG11 VAL 21 1HG1 VAL 21 10.769 -1.502 4.961 123 HG12 VAL 21 2HG1 VAL 21 11.280 -3.127 5.479 124 HG13 VAL 21 3HG1 VAL 21 10.500 -2.902 3.895 125 HG21 VAL 21 1HG2 VAL 21 8.628 -4.878 5.631 126 HG22 VAL 21 2HG2 VAL 21 7.396 -3.830 4.888 127 HG23 VAL 21 3HG2 VAL 21 8.882 -4.229 3.993 128 H ARG 22 H ARG 22 11.729 -2.838 7.923 129 HA ARG 22 HA ARG 22 11.947 -5.715 7.901 130 HB2 ARG 22 1HB ARG 22 14.311 -5.401 7.848 131 HB3 ARG 22 2HB ARG 22 13.694 -4.090 6.863 132 HG2 ARG 22 1HG ARG 22 14.824 -2.655 8.210 133 HG3 ARG 22 2HG ARG 22 13.667 -3.030 9.473 134 HD2 ARG 22 1HD ARG 22 15.130 -5.026 10.114 135 HD3 ARG 22 2HD ARG 22 16.322 -4.454 8.964 136 HE ARG 22 HE ARG 22 15.448 -2.420 10.904 137 HH11 ARG 22 2HH2 ARG 22 17.771 -4.967 10.196 138 HH12 ARG 22 1HH2 ARG 22 18.961 -4.364 11.301 139 HH21 ARG 22 2HH1 ARG 22 17.017 -1.625 12.361 140 HH22 ARG 22 1HH1 ARG 22 18.529 -2.450 12.541 141 H THR 23 H THR 23 11.442 -3.027 10.046 142 HA THR 23 HA THR 23 12.249 -4.666 12.357 143 HB THR 23 HB THR 23 13.443 -2.467 12.034 144 HG1 THR 23 1HG THR 23 12.825 -1.801 14.256 145 HG21 THR 23 1HG2 THR 23 11.154 -0.875 12.985 146 HG22 THR 23 2HG2 THR 23 12.319 -0.499 11.693 147 HG23 THR 23 3HG2 THR 23 10.885 -1.491 11.337 148 H GLY 24 H GLY 24 9.628 -2.818 10.797 149 HA2 GLY 24 1HA GLY 24 7.397 -3.567 11.068 150 HA3 GLY 24 2HA GLY 24 7.770 -4.089 12.698 151 H LYS 25 H LYS 25 7.686 -1.109 10.629 152 HA LYS 25 HA LYS 25 6.022 0.288 12.343 153 HB2 LYS 25 1HB LYS 25 7.670 1.936 13.291 154 HB3 LYS 25 2HB LYS 25 7.693 0.344 14.021 155 HG2 LYS 25 1HG LYS 25 9.969 0.593 13.681 156 HG3 LYS 25 2HG LYS 25 9.555 -0.116 12.133 157 HD2 LYS 25 1HD LYS 25 9.694 1.943 10.989 158 HD3 LYS 25 2HD LYS 25 9.392 2.888 12.434 159 HE2 LYS 25 1HE LYS 25 11.860 1.226 12.563 160 HE3 LYS 25 2HE LYS 25 11.893 2.460 11.319 161 HZ1 LYS 25 1HZ LYS 25 12.671 3.416 13.299 162 HZ2 LYS 25 2HZ LYS 25 11.176 4.034 13.075 163 HZ3 LYS 25 3HZ LYS 25 11.416 2.861 14.186 164 H CYS 26 H CYS 26 6.350 -0.306 9.556 165 HA CYS 26 HA CYS 26 7.215 2.257 8.469 166 HB2 CYS 26 1HB CYS 26 8.245 0.426 7.340 167 HB3 CYS 26 2HB CYS 26 6.732 -0.445 7.193 168 HG CYS 26 HG CYS 26 6.711 2.609 6.111 169 H SER 27 H SER 27 5.221 3.229 9.537 170 HA SER 27 HA SER 27 2.933 2.769 7.794 171 HB2 SER 27 1HB SER 27 1.402 2.919 9.630 172 HB3 SER 27 2HB SER 27 2.643 1.788 10.131 173 HG SER 27 HG SER 27 2.507 4.593 10.849 174 H PHE 28 H PHE 28 1.756 4.675 7.199 175 HA PHE 28 HA PHE 28 2.763 7.184 8.294 176 HB2 PHE 28 1HB PHE 28 2.470 7.792 5.635 177 HB3 PHE 28 2HB PHE 28 4.000 7.255 6.300 178 HD1 PHE 28 2HD PHE 28 4.428 4.688 6.271 179 HD2 PHE 28 1HD PHE 28 1.507 6.620 3.874 180 HE1 PHE 28 2HE PHE 28 4.425 2.732 4.697 181 HE2 PHE 28 1HE PHE 28 1.504 4.665 2.301 182 HZ PHE 28 HZ PHE 28 2.963 2.744 2.731 183 HA PRO 29 HA PRO 29 -1.379 8.398 7.942 184 HB2 PRO 29 1HB PRO 29 -1.231 11.086 7.471 185 HB3 PRO 29 2HB PRO 29 -1.008 10.378 9.058 186 HG2 PRO 29 1HG PRO 29 1.027 11.473 7.215 187 HG3 PRO 29 2HG PRO 29 1.158 11.162 8.935 188 HD2 PRO 29 1HD PRO 29 2.250 9.569 6.814 189 HD3 PRO 29 2HD PRO 29 2.280 9.197 8.527 190 H VAL 30 H VAL 30 -2.784 7.691 6.477 191 HA VAL 30 HA VAL 30 -2.655 9.056 3.907 192 HB VAL 30 HB VAL 30 -2.489 7.137 2.628 193 HG11 VAL 30 1HG1 VAL 30 -0.714 6.641 5.042 194 HG12 VAL 30 2HG1 VAL 30 -0.497 5.910 3.434 195 HG13 VAL 30 3HG1 VAL 30 -0.337 7.671 3.640 196 HG21 VAL 30 1HG2 VAL 30 -4.204 5.845 3.904 197 HG22 VAL 30 2HG2 VAL 30 -2.812 4.866 3.384 198 HG23 VAL 30 3HG2 VAL 30 -2.940 5.401 5.076 199 H LYS 31 H LYS 31 -4.680 7.908 2.554 200 HA LYS 31 HA LYS 31 -6.908 7.858 4.466 201 HB2 LYS 31 1HB LYS 31 -6.571 9.505 1.968 202 HB3 LYS 31 2HB LYS 31 -8.170 9.035 2.509 203 HG2 LYS 31 1HG LYS 31 -8.150 10.573 4.182 204 HG3 LYS 31 2HG LYS 31 -6.597 10.012 4.769 205 HD2 LYS 31 1HD LYS 31 -6.138 12.238 4.123 206 HD3 LYS 31 2HD LYS 31 -5.570 11.312 2.749 207 HE2 LYS 31 1HE LYS 31 -7.567 11.808 1.465 208 HE3 LYS 31 2HE LYS 31 -8.400 12.440 2.872 209 HZ1 LYS 31 1HZ LYS 31 -6.251 13.978 2.820 210 HZ2 LYS 31 2HZ LYS 31 -6.420 13.698 1.221 211 HZ3 LYS 31 3HZ LYS 31 -7.648 14.363 2.067 212 H TYR 32 H TYR 32 -8.582 6.393 4.009 213 HA TYR 32 HA TYR 32 -7.816 4.351 2.075 214 HB2 TYR 32 1HB TYR 32 -8.426 3.914 4.533 215 HB3 TYR 32 2HB TYR 32 -10.016 4.582 4.222 216 HD1 TYR 32 1HD TYR 32 -8.262 2.427 1.781 217 HD2 TYR 32 2HD TYR 32 -11.228 2.595 4.860 218 HE1 TYR 32 1HE TYR 32 -9.102 0.125 1.107 219 HE2 TYR 32 2HE TYR 32 -12.058 0.291 4.175 220 HH TYR 32 HH TYR 32 -12.055 -1.136 2.297 221 H LEU 33 H LEU 33 -8.539 4.728 0.023 222 HA LEU 33 HA LEU 33 -10.956 6.197 -0.406 223 HB2 LEU 33 1HB LEU 33 -9.119 4.737 -2.310 224 HB3 LEU 33 2HB LEU 33 -10.459 5.761 -2.786 225 HG LEU 33 HG LEU 33 -8.185 6.806 -1.095 226 HD11 LEU 33 1HD1 LEU 33 -7.201 7.691 -3.206 227 HD12 LEU 33 2HD1 LEU 33 -7.124 5.919 -3.058 228 HD13 LEU 33 3HD1 LEU 33 -8.341 6.671 -4.117 229 HD21 LEU 33 1HD2 LEU 33 -9.078 8.871 -2.625 230 HD22 LEU 33 2HD2 LEU 33 -10.578 7.943 -2.389 231 HD23 LEU 33 3HD2 LEU 33 -9.649 8.504 -0.979 232 H GLY 34 H GLY 34 -9.853 2.784 -0.968 233 HA2 GLY 34 1HA GLY 34 -11.776 1.299 -0.034 234 HA3 GLY 34 2HA GLY 34 -12.652 2.006 -1.377 235 H HIS 35 H HIS 35 -12.814 -0.268 -2.175 236 HA HIS 35 HA HIS 35 -10.341 -1.016 -3.558 237 HB2 HIS 35 1HB HIS 35 -11.393 -3.389 -3.428 238 HB3 HIS 35 2HB HIS 35 -10.526 -2.740 -2.051 239 HD1 HIS 35 1HD HIS 35 -11.745 -3.836 -0.131 240 HD2 HIS 35 2HD HIS 35 -14.349 -1.996 -2.857 241 HE1 HIS 35 1HE HIS 35 -14.071 -3.950 0.913 242 H VAL 36 H VAL 36 -10.539 -1.683 -5.742 243 HA VAL 36 HA VAL 36 -13.236 -1.493 -6.863 244 HB VAL 36 HB VAL 36 -12.428 -0.123 -8.679 245 HG11 VAL 36 1HG1 VAL 36 -12.815 1.770 -7.537 246 HG12 VAL 36 2HG1 VAL 36 -12.888 0.737 -6.089 247 HG13 VAL 36 3HG1 VAL 36 -11.368 1.558 -6.522 248 HG21 VAL 36 1HG2 VAL 36 -9.987 0.935 -7.928 249 HG22 VAL 36 2HG2 VAL 36 -9.803 -0.795 -7.550 250 HG23 VAL 36 3HG2 VAL 36 -10.249 -0.286 -9.197 251 H GLU 37 H GLU 37 -13.445 -2.611 -8.957 252 HA GLU 37 HA GLU 37 -11.664 -4.879 -8.978 253 HB2 GLU 37 1HB GLU 37 -14.362 -4.752 -9.181 254 HB3 GLU 37 2HB GLU 37 -13.970 -4.670 -10.887 255 HG2 GLU 37 1HG GLU 37 -12.495 -6.734 -10.562 256 HG3 GLU 37 2HG GLU 37 -13.117 -6.851 -8.927 257 H VAL 38 H VAL 38 -9.890 -4.862 -10.283 258 HA VAL 38 HA VAL 38 -9.576 -2.890 -12.287 259 HB VAL 38 HB VAL 38 -7.491 -4.163 -12.768 260 HG11 VAL 38 1HG1 VAL 38 -8.194 -3.273 -9.974 261 HG12 VAL 38 2HG1 VAL 38 -6.564 -3.875 -10.360 262 HG13 VAL 38 3HG1 VAL 38 -7.210 -2.448 -11.207 263 HG21 VAL 38 1HG2 VAL 38 -7.392 -6.332 -12.256 264 HG22 VAL 38 2HG2 VAL 38 -7.346 -5.877 -10.536 265 HG23 VAL 38 3HG2 VAL 38 -8.904 -6.232 -11.322 266 H ASP 39 H ASP 39 -8.411 -4.208 -14.458 267 HA ASP 39 HA ASP 39 -10.559 -5.927 -15.395 268 HB2 ASP 39 1HB ASP 39 -10.132 -3.267 -16.239 269 HB3 ASP 39 2HB ASP 39 -9.387 -4.230 -17.500 270 H GLU 40 H GLU 40 -7.237 -4.551 -15.819 271 HA GLU 40 HA GLU 40 -6.516 -6.850 -17.419 272 HB2 GLU 40 1HB GLU 40 -4.773 -4.461 -16.695 273 HB3 GLU 40 2HB GLU 40 -4.499 -5.620 -17.980 274 HG2 GLU 40 1HG GLU 40 -7.150 -4.275 -18.112 275 HG3 GLU 40 2HG GLU 40 -5.789 -3.184 -18.286 276 H SER 41 H SER 41 -5.819 -5.230 -14.289 277 HA SER 41 HA SER 41 -5.183 -6.184 -12.401 278 HB2 SER 41 1HB SER 41 -5.714 -8.480 -13.773 279 HB3 SER 41 2HB SER 41 -3.980 -8.654 -13.589 280 HG SER 41 HG SER 41 -4.209 -8.469 -11.300 281 H ARG 42 H ARG 42 -3.508 -5.154 -15.006 282 HA ARG 42 HA ARG 42 -1.147 -4.825 -13.479 283 HB2 ARG 42 1HB ARG 42 0.334 -5.766 -15.387 284 HB3 ARG 42 2HB ARG 42 -0.454 -6.943 -14.355 285 HG2 ARG 42 1HG ARG 42 -2.385 -6.526 -16.311 286 HG3 ARG 42 2HG ARG 42 -0.904 -6.352 -17.232 287 HD2 ARG 42 1HD ARG 42 -1.261 -8.698 -15.332 288 HD3 ARG 42 2HD ARG 42 -1.945 -8.753 -16.945 289 HE ARG 42 HE ARG 42 0.894 -8.900 -16.247 290 HH11 ARG 42 2HH2 ARG 42 -1.399 -8.104 -18.794 291 HH12 ARG 42 1HH2 ARG 42 -0.263 -8.367 -20.075 292 HH21 ARG 42 2HH1 ARG 42 2.393 -9.247 -17.936 293 HH22 ARG 42 1HH1 ARG 42 1.908 -9.022 -19.584 294 H GLY 43 H GLY 43 -0.160 -2.873 -14.080 295 HA2 GLY 43 1HA GLY 43 0.376 -1.654 -16.306 296 HA3 GLY 43 2HA GLY 43 -1.367 -1.483 -16.369 297 H MET 44 H MET 44 1.306 0.233 -15.650 298 HA MET 44 HA MET 44 0.881 1.215 -13.106 299 HB2 MET 44 1HB MET 44 2.183 2.280 -15.648 300 HB3 MET 44 2HB MET 44 2.101 3.307 -14.230 301 HG2 MET 44 1HG MET 44 3.655 2.057 -13.060 302 HG3 MET 44 2HG MET 44 3.075 0.533 -13.702 303 HE1 MET 44 1HE MET 44 3.076 0.769 -16.754 304 HE2 MET 44 2HE MET 44 4.731 0.258 -17.163 305 HE3 MET 44 3HE MET 44 3.839 -0.571 -15.864 306 H HIS 45 H HIS 45 -0.648 1.988 -16.230 307 HA HIS 45 HA HIS 45 -1.843 4.388 -15.243 308 HB2 HIS 45 1HB HIS 45 -2.961 4.455 -17.400 309 HB3 HIS 45 2HB HIS 45 -1.246 4.151 -17.594 310 HD1 HIS 45 1HD HIS 45 -0.525 1.910 -18.649 311 HD2 HIS 45 2HD HIS 45 -4.662 2.233 -18.034 312 HE1 HIS 45 1HE HIS 45 -1.589 -0.039 -19.906 313 H ILE 46 H ILE 46 -2.417 1.016 -14.896 314 HA ILE 46 HA ILE 46 -5.254 1.114 -14.807 315 HB ILE 46 HB ILE 46 -3.358 -0.917 -13.625 316 HG12 ILE 46 1HG1 ILE 46 -3.044 -0.354 -16.104 317 HG13 ILE 46 2HG1 ILE 46 -3.276 -2.036 -15.670 318 HG21 ILE 46 1HG2 ILE 46 -5.392 -2.417 -14.170 319 HG22 ILE 46 2HG2 ILE 46 -5.444 -1.390 -12.717 320 HG23 ILE 46 3HG2 ILE 46 -6.313 -0.894 -14.189 321 HD11 ILE 46 1HD1 ILE 46 -5.496 -0.171 -16.630 322 HD12 ILE 46 2HD1 ILE 46 -4.660 -1.375 -17.640 323 HD13 ILE 46 3HD1 ILE 46 -5.668 -1.906 -16.272 324 H CYS 47 H CYS 47 -2.725 0.779 -12.212 325 HA CYS 47 HA CYS 47 -4.258 0.898 -10.038 326 HB2 CYS 47 1HB CYS 47 -1.626 2.341 -10.482 327 HB3 CYS 47 2HB CYS 47 -2.368 2.118 -8.911 328 HG CYS 47 HG CYS 47 -0.316 0.376 -9.968 329 H GLU 48 H GLU 48 -3.047 3.764 -11.926 330 HA GLU 48 HA GLU 48 -4.264 5.686 -10.408 331 HB2 GLU 48 1HB GLU 48 -3.580 5.606 -13.373 332 HB3 GLU 48 2HB GLU 48 -4.169 7.057 -12.586 333 HG2 GLU 48 1HG GLU 48 -2.224 7.343 -11.326 334 HG3 GLU 48 2HG GLU 48 -1.877 5.627 -11.262 335 H ASP 49 H ASP 49 -5.515 3.894 -13.297 336 HA ASP 49 HA ASP 49 -7.857 5.245 -13.589 337 HB2 ASP 49 1HB ASP 49 -6.688 2.776 -14.486 338 HB3 ASP 49 2HB ASP 49 -8.321 2.406 -13.970 339 H ALA 50 H ALA 50 -6.799 2.916 -11.138 340 HA ALA 50 HA ALA 50 -9.312 2.029 -10.264 341 HB1 ALA 50 1HB ALA 50 -6.827 1.237 -9.793 342 HB2 ALA 50 2HB ALA 50 -6.964 2.346 -8.407 343 HB3 ALA 50 3HB ALA 50 -8.103 0.988 -8.576 344 H VAL 51 H VAL 51 -7.184 4.783 -9.270 345 HA VAL 51 HA VAL 51 -8.811 5.650 -7.174 346 HB VAL 51 HB VAL 51 -7.007 7.305 -8.946 347 HG11 VAL 51 1HG1 VAL 51 -8.579 8.367 -7.166 348 HG12 VAL 51 2HG1 VAL 51 -7.439 7.677 -5.986 349 HG13 VAL 51 3HG1 VAL 51 -6.864 8.845 -7.200 350 HG21 VAL 51 1HG2 VAL 51 -6.391 5.220 -6.899 351 HG22 VAL 51 2HG2 VAL 51 -5.497 5.690 -8.366 352 HG23 VAL 51 3HG2 VAL 51 -5.396 6.697 -6.901 353 H LYS 52 H LYS 52 -8.583 6.789 -10.619 354 HA LYS 52 HA LYS 52 -10.491 8.706 -10.570 355 HB2 LYS 52 1HB LYS 52 -9.659 6.732 -12.690 356 HB3 LYS 52 2HB LYS 52 -10.926 7.901 -13.006 357 HG2 LYS 52 1HG LYS 52 -9.427 9.596 -13.227 358 HG3 LYS 52 2HG LYS 52 -8.658 9.206 -11.701 359 HD2 LYS 52 1HD LYS 52 -7.053 7.832 -12.690 360 HD3 LYS 52 2HD LYS 52 -8.109 7.350 -14.002 361 HE2 LYS 52 1HE LYS 52 -7.313 10.251 -13.889 362 HE3 LYS 52 2HE LYS 52 -6.070 9.103 -14.346 363 HZ1 LYS 52 1HZ LYS 52 -8.666 9.499 -15.654 364 HZ2 LYS 52 2HZ LYS 52 -7.184 9.767 -16.285 365 HZ3 LYS 52 3HZ LYS 52 -7.684 8.240 -15.996 366 H ARG 53 H ARG 53 -10.966 5.139 -10.762 367 HA ARG 53 HA ARG 53 -13.636 5.146 -11.262 368 HB2 ARG 53 1HB ARG 53 -11.671 3.249 -10.562 369 HB3 ARG 53 2HB ARG 53 -12.861 3.092 -9.285 370 HG2 ARG 53 1HG ARG 53 -14.589 2.477 -10.779 371 HG3 ARG 53 2HG ARG 53 -13.805 3.222 -12.158 372 HD2 ARG 53 1HD ARG 53 -12.078 1.147 -11.045 373 HD3 ARG 53 2HD ARG 53 -13.670 0.486 -11.362 374 HE ARG 53 HE ARG 53 -13.172 1.900 -13.666 375 HH11 ARG 53 2HH2 ARG 53 -11.287 -0.475 -11.880 376 HH12 ARG 53 1HH2 ARG 53 -10.469 -1.071 -13.286 377 HH21 ARG 53 2HH1 ARG 53 -12.094 1.113 -15.521 378 HH22 ARG 53 1HH1 ARG 53 -10.931 -0.162 -15.371 379 H LEU 54 H LEU 54 -11.946 5.068 -8.037 380 HA LEU 54 HA LEU 54 -14.362 5.272 -6.577 381 HB2 LEU 54 1HB LEU 54 -11.565 5.910 -5.645 382 HB3 LEU 54 2HB LEU 54 -12.949 5.487 -4.657 383 HG LEU 54 HG LEU 54 -11.974 3.531 -6.714 384 HD11 LEU 54 1HD1 LEU 54 -10.450 2.555 -4.997 385 HD12 LEU 54 2HD1 LEU 54 -9.922 4.132 -5.631 386 HD13 LEU 54 3HD1 LEU 54 -10.679 4.027 -4.023 387 HD21 LEU 54 1HD2 LEU 54 -13.660 3.503 -4.269 388 HD22 LEU 54 2HD2 LEU 54 -13.818 2.595 -5.792 389 HD23 LEU 54 3HD2 LEU 54 -12.641 2.073 -4.563 390 H LYS 55 H LYS 55 -12.673 7.479 -8.535 391 HA LYS 55 HA LYS 55 -13.350 9.784 -6.914 392 HB2 LYS 55 1HB LYS 55 -11.996 9.544 -9.617 393 HB3 LYS 55 2HB LYS 55 -12.237 11.042 -8.741 394 HG2 LYS 55 1HG LYS 55 -10.957 8.834 -7.179 395 HG3 LYS 55 2HG LYS 55 -9.998 9.473 -8.499 396 HD2 LYS 55 1HD LYS 55 -10.403 11.810 -7.588 397 HD3 LYS 55 2HD LYS 55 -11.222 11.092 -6.216 398 HE2 LYS 55 1HE LYS 55 -8.355 10.389 -6.996 399 HE3 LYS 55 2HE LYS 55 -8.750 11.653 -5.849 400 HZ1 LYS 55 1HZ LYS 55 -9.774 8.931 -5.521 401 HZ2 LYS 55 2HZ LYS 55 -8.311 9.369 -4.942 402 HZ3 LYS 55 3HZ LYS 55 -9.661 10.110 -4.397 403 H ALA 56 H ALA 56 -14.709 7.767 -9.409 404 HA ALA 56 HA ALA 56 -16.693 9.858 -9.983 405 HB1 ALA 56 1HB ALA 56 -15.779 9.300 -12.049 406 HB2 ALA 56 2HB ALA 56 -15.493 7.606 -11.585 407 HB3 ALA 56 3HB ALA 56 -17.142 8.161 -11.958 408 H THR 57 H THR 57 -16.088 7.186 -8.050 409 HA THR 57 HA THR 57 -18.560 5.797 -8.359 410 HB THR 57 HB THR 57 -16.167 5.116 -7.355 411 HG1 THR 57 1HG THR 57 -18.703 4.420 -6.060 412 HG21 THR 57 1HG2 THR 57 -17.782 5.806 -4.852 413 HG22 THR 57 2HG2 THR 57 -16.142 5.117 -4.925 414 HG23 THR 57 3HG2 THR 57 -16.422 6.804 -5.421 415 H GLY 58 H GLY 58 -17.402 8.528 -6.370 416 HA2 GLY 58 1HA GLY 58 -18.767 10.151 -5.476 417 HA3 GLY 58 2HA GLY 58 -20.173 9.132 -5.711 418 H LYS 59 H LYS 59 -17.003 8.643 -3.990 419 HA LYS 59 HA LYS 59 -18.581 8.069 -1.580 420 HB2 LYS 59 1HB LYS 59 -17.096 6.223 -3.030 421 HB3 LYS 59 2HB LYS 59 -16.002 6.691 -1.744 422 HG2 LYS 59 1HG LYS 59 -17.790 6.235 -0.053 423 HG3 LYS 59 2HG LYS 59 -18.889 5.774 -1.338 424 HD2 LYS 59 1HD LYS 59 -18.107 3.656 -1.031 425 HD3 LYS 59 2HD LYS 59 -16.682 4.187 -1.903 426 HE2 LYS 59 1HE LYS 59 -15.461 3.743 -0.042 427 HE3 LYS 59 2HE LYS 59 -16.252 5.097 0.739 428 HZ1 LYS 59 1HZ LYS 59 -16.975 2.273 0.856 429 HZ2 LYS 59 2HZ LYS 59 -16.733 3.321 2.085 430 HZ3 LYS 59 3HZ LYS 59 -18.093 3.417 1.186 431 H LYS 60 H LYS 60 -16.042 7.692 -0.052 432 HA LYS 60 HA LYS 60 -14.731 10.253 -0.280 433 HB2 LYS 60 1HB LYS 60 -15.322 11.098 1.854 434 HB3 LYS 60 2HB LYS 60 -16.823 10.687 1.049 435 HG2 LYS 60 1HG LYS 60 -16.134 8.299 2.348 436 HG3 LYS 60 2HG LYS 60 -15.627 9.528 3.490 437 HD2 LYS 60 1HD LYS 60 -18.322 9.911 2.222 438 HD3 LYS 60 2HD LYS 60 -18.177 8.589 3.362 439 HE2 LYS 60 1HE LYS 60 -17.690 10.012 5.174 440 HE3 LYS 60 2HE LYS 60 -17.047 11.278 4.148 441 HZ1 LYS 60 1HZ LYS 60 -19.187 11.887 3.499 442 HZ2 LYS 60 2HZ LYS 60 -19.878 10.525 4.079 443 HZ3 LYS 60 3HZ LYS 60 -19.304 11.653 5.111 444 H ALA 61 H ALA 61 -12.994 10.385 1.578 445 HA ALA 61 HA ALA 61 -11.864 7.682 1.793 446 HB1 ALA 61 1HB ALA 61 -9.991 9.839 2.295 447 HB2 ALA 61 2HB ALA 61 -9.950 8.583 1.034 448 HB3 ALA 61 3HB ALA 61 -10.831 10.103 0.748 449 H VAL 62 H VAL 62 -10.734 7.138 3.805 450 HA VAL 62 HA VAL 62 -11.909 8.594 6.067 451 HB VAL 62 HB VAL 62 -11.145 5.721 5.608 452 HG11 VAL 62 1HG1 VAL 62 -10.142 6.389 7.757 453 HG12 VAL 62 2HG1 VAL 62 -11.721 7.005 8.301 454 HG13 VAL 62 3HG1 VAL 62 -11.503 5.266 7.988 455 HG21 VAL 62 1HG2 VAL 62 -13.648 7.262 6.155 456 HG22 VAL 62 2HG2 VAL 62 -13.362 5.891 5.057 457 HG23 VAL 62 3HG2 VAL 62 -13.521 5.611 6.808 458 H LYS 63 H LYS 63 -10.515 8.684 8.064 459 HA LYS 63 HA LYS 63 -7.771 9.244 7.224 460 HB2 LYS 63 1HB LYS 63 -9.482 10.242 9.508 461 HB3 LYS 63 2HB LYS 63 -7.748 10.492 9.462 462 HG2 LYS 63 1HG LYS 63 -8.695 11.209 6.869 463 HG3 LYS 63 2HG LYS 63 -9.843 11.901 7.998 464 HD2 LYS 63 1HD LYS 63 -8.229 13.599 7.885 465 HD3 LYS 63 2HD LYS 63 -7.707 12.722 9.309 466 HE2 LYS 63 1HE LYS 63 -6.112 11.395 7.854 467 HE3 LYS 63 2HE LYS 63 -6.586 12.383 6.486 468 HZ1 LYS 63 1HZ LYS 63 -5.972 14.169 8.427 469 HZ2 LYS 63 2HZ LYS 63 -4.832 13.014 8.608 470 HZ3 LYS 63 3HZ LYS 63 -5.019 13.758 7.166 471 H ALA 64 H ALA 64 -6.660 7.317 7.319 472 HA ALA 64 HA ALA 64 -6.471 6.150 9.987 473 HB1 ALA 64 1HB ALA 64 -7.676 4.359 9.344 474 HB2 ALA 64 2HB ALA 64 -7.736 4.926 7.658 475 HB3 ALA 64 3HB ALA 64 -6.348 3.967 8.225 476 H VAL 65 H VAL 65 -4.517 4.567 10.026 477 HA VAL 65 HA VAL 65 -2.388 5.862 8.489 478 HB VAL 65 HB VAL 65 -2.389 4.260 11.052 479 HG11 VAL 65 1HG1 VAL 65 -0.305 4.419 9.208 480 HG12 VAL 65 2HG1 VAL 65 0.089 5.664 10.418 481 HG13 VAL 65 3HG1 VAL 65 -0.172 3.978 10.928 482 HG21 VAL 65 1HG2 VAL 65 -2.140 6.236 12.204 483 HG22 VAL 65 2HG2 VAL 65 -1.413 7.084 10.818 484 HG23 VAL 65 3HG2 VAL 65 -3.167 6.783 10.857 485 H LEU 66 H LEU 66 -1.317 4.768 6.909 486 HA LEU 66 HA LEU 66 -2.144 2.020 6.462 487 HB2 LEU 66 1HB LEU 66 -2.364 3.323 4.550 488 HB3 LEU 66 2HB LEU 66 -0.846 4.159 4.812 489 HG LEU 66 HG LEU 66 0.425 2.213 4.153 490 HD11 LEU 66 1HD1 LEU 66 -1.379 0.619 5.142 491 HD12 LEU 66 2HD1 LEU 66 -2.069 0.670 3.502 492 HD13 LEU 66 3HD1 LEU 66 -0.404 0.092 3.749 493 HD21 LEU 66 1HD2 LEU 66 -0.382 1.952 1.794 494 HD22 LEU 66 2HD2 LEU 66 -1.821 2.898 2.244 495 HD23 LEU 66 3HD2 LEU 66 -0.204 3.635 2.344 496 H TRP 67 H TRP 67 -0.977 0.361 7.252 497 HA TRP 67 HA TRP 67 1.796 0.912 7.997 498 HB2 TRP 67 1HB TRP 67 -0.131 -1.274 8.792 499 HB3 TRP 67 2HB TRP 67 1.565 -1.262 9.234 500 HD1 TRP 67 HD TRP 67 -1.493 1.144 9.685 501 HE1 TRP 67 1HE TRP 67 -1.369 2.359 12.024 502 HE3 TRP 67 3HE TRP 67 2.964 -0.867 11.083 503 HZ2 TRP 67 2HZ TRP 67 0.536 2.344 14.149 504 HZ3 TRP 67 3HZ TRP 67 3.886 -0.214 13.306 505 HH2 TRP 67 HH TRP 67 2.747 1.332 14.818 506 H VAL 68 H VAL 68 3.509 -0.408 7.181 507 HA VAL 68 HA VAL 68 2.731 -2.234 5.023 508 HB VAL 68 HB VAL 68 5.066 -0.330 4.870 509 HG11 VAL 68 1HG1 VAL 68 3.652 -2.097 2.850 510 HG12 VAL 68 2HG1 VAL 68 4.851 -0.855 2.416 511 HG13 VAL 68 3HG1 VAL 68 5.327 -2.234 3.437 512 HG21 VAL 68 1HG2 VAL 68 2.211 0.056 3.950 513 HG22 VAL 68 2HG2 VAL 68 3.230 1.150 4.915 514 HG23 VAL 68 3HG2 VAL 68 3.576 0.906 3.186 515 H SER 69 H SER 69 3.585 -4.229 5.306 516 HA SER 69 HA SER 69 6.141 -4.399 6.636 517 HB2 SER 69 1HB SER 69 3.715 -6.012 7.542 518 HB3 SER 69 2HB SER 69 5.343 -6.179 8.169 519 HG SER 69 HG SER 69 5.205 -3.904 8.863 520 H ALA 70 H ALA 70 7.024 -6.743 6.457 521 HA ALA 70 HA ALA 70 6.946 -7.543 3.804 522 HB1 ALA 70 1HB ALA 70 7.660 -9.350 6.130 523 HB2 ALA 70 2HB ALA 70 8.385 -9.288 4.506 524 HB3 ALA 70 3HB ALA 70 8.686 -7.972 5.665 525 H ASP 71 H ASP 71 4.832 -8.269 6.535 526 HA ASP 71 HA ASP 71 3.784 -10.628 5.396 527 HB2 ASP 71 1HB ASP 71 2.722 -8.737 7.546 528 HB3 ASP 71 2HB ASP 71 1.959 -10.262 7.141 529 H GLY 72 H GLY 72 3.546 -7.305 4.652 530 HA2 GLY 72 1HA GLY 72 2.187 -6.978 2.578 531 HA3 GLY 72 2HA GLY 72 0.838 -7.610 3.500 532 H LEU 73 H LEU 73 -0.513 -5.856 3.771 533 HA LEU 73 HA LEU 73 0.710 -3.506 5.040 534 HB2 LEU 73 1HB LEU 73 -1.746 -3.214 3.389 535 HB3 LEU 73 2HB LEU 73 -0.475 -2.059 3.735 536 HG LEU 73 HG LEU 73 0.112 -4.447 2.005 537 HD11 LEU 73 1HD1 LEU 73 -0.977 -3.704 0.189 538 HD12 LEU 73 2HD1 LEU 73 -2.003 -2.855 1.370 539 HD13 LEU 73 3HD1 LEU 73 -0.667 -1.993 0.569 540 HD21 LEU 73 1HD2 LEU 73 1.290 -1.940 1.203 541 HD22 LEU 73 2HD2 LEU 73 1.594 -2.245 2.930 542 HD23 LEU 73 3HD2 LEU 73 2.074 -3.454 1.714 543 H ARG 74 H ARG 74 -1.207 -2.149 6.130 544 HA ARG 74 HA ARG 74 -3.275 -3.816 7.131 545 HB2 ARG 74 1HB ARG 74 -0.860 -3.119 8.799 546 HB3 ARG 74 2HB ARG 74 -2.421 -3.066 9.593 547 HG2 ARG 74 1HG ARG 74 -2.545 -5.470 8.168 548 HG3 ARG 74 2HG ARG 74 -0.864 -5.405 8.662 549 HD2 ARG 74 1HD ARG 74 -1.871 -4.742 11.034 550 HD3 ARG 74 2HD ARG 74 -3.344 -5.451 10.404 551 HE ARG 74 HE ARG 74 -2.351 -7.585 10.486 552 HH11 ARG 74 2HH2 ARG 74 0.098 -5.105 10.967 553 HH12 ARG 74 1HH2 ARG 74 1.328 -6.230 11.439 554 HH21 ARG 74 2HH1 ARG 74 -0.730 -9.070 11.109 555 HH22 ARG 74 1HH1 ARG 74 0.854 -8.501 11.521 556 H VAL 75 H VAL 75 -4.925 -2.349 6.761 557 HA VAL 75 HA VAL 75 -4.432 0.465 7.112 558 HB VAL 75 HB VAL 75 -6.948 -1.048 6.386 559 HG11 VAL 75 1HG1 VAL 75 -7.539 1.146 7.126 560 HG12 VAL 75 2HG1 VAL 75 -6.202 1.886 6.213 561 HG13 VAL 75 3HG1 VAL 75 -7.581 1.167 5.347 562 HG21 VAL 75 1HG2 VAL 75 -6.309 -0.217 4.037 563 HG22 VAL 75 2HG2 VAL 75 -4.678 0.030 4.706 564 HG23 VAL 75 3HG2 VAL 75 -5.401 -1.597 4.700 565 H VAL 76 H VAL 76 -4.136 0.973 9.272 566 HA VAL 76 HA VAL 76 -5.970 -0.143 11.212 567 HB VAL 76 HB VAL 76 -3.423 1.409 11.237 568 HG11 VAL 76 1HG1 VAL 76 -5.508 1.466 13.419 569 HG12 VAL 76 2HG1 VAL 76 -3.773 1.600 13.795 570 HG13 VAL 76 3HG1 VAL 76 -4.551 2.805 12.741 571 HG21 VAL 76 1HG2 VAL 76 -3.756 -1.170 11.394 572 HG22 VAL 76 2HG2 VAL 76 -2.602 -0.373 12.490 573 HG23 VAL 76 3HG2 VAL 76 -4.216 -0.837 13.081 574 H ASP 77 H ASP 77 -7.258 1.232 12.658 575 HA ASP 77 HA ASP 77 -8.242 3.512 11.165 576 HB2 ASP 77 1HB ASP 77 -9.825 1.696 11.923 577 HB3 ASP 77 2HB ASP 77 -9.420 2.068 13.587 578 H GLU 78 H GLU 78 -7.083 5.364 11.798 579 HA GLU 78 HA GLU 78 -5.621 5.769 13.959 580 HB2 GLU 78 1HB GLU 78 -7.349 7.659 12.352 581 HB3 GLU 78 2HB GLU 78 -6.463 8.277 13.732 582 HG2 GLU 78 1HG GLU 78 -4.574 6.685 12.365 583 HG3 GLU 78 2HG GLU 78 -5.463 7.482 11.083 584 H LYS 79 H LYS 79 -9.158 5.672 13.842 585 HA LYS 79 HA LYS 79 -9.911 7.049 16.041 586 HB2 LYS 79 1HB LYS 79 -11.246 5.596 14.334 587 HB3 LYS 79 2HB LYS 79 -11.035 4.308 15.503 588 HG2 LYS 79 1HG LYS 79 -12.122 7.043 16.295 589 HG3 LYS 79 2HG LYS 79 -13.169 5.758 15.726 590 HD2 LYS 79 1HD LYS 79 -13.083 4.671 17.724 591 HD3 LYS 79 2HD LYS 79 -11.333 4.756 17.779 592 HE2 LYS 79 1HE LYS 79 -11.459 7.100 18.623 593 HE3 LYS 79 2HE LYS 79 -13.208 7.051 18.531 594 HZ1 LYS 79 1HZ LYS 79 -13.225 5.315 20.147 595 HZ2 LYS 79 2HZ LYS 79 -11.594 5.224 20.171 596 HZ3 LYS 79 3HZ LYS 79 -12.346 6.558 20.738 597 H THR 80 H THR 80 -9.476 3.461 16.283 598 HA THR 80 HA THR 80 -8.194 3.950 18.893 599 HB THR 80 HB THR 80 -10.614 3.016 18.853 600 HG1 THR 80 1HG THR 80 -9.059 2.738 20.623 601 HG21 THR 80 1HG2 THR 80 -10.471 0.412 18.621 602 HG22 THR 80 2HG2 THR 80 -10.617 1.357 17.119 603 HG23 THR 80 3HG2 THR 80 -9.032 0.719 17.620 604 H LYS 81 H LYS 81 -7.201 3.528 15.967 605 HA LYS 81 HA LYS 81 -5.420 2.590 15.057 606 HB2 LYS 81 1HB LYS 81 -4.895 1.854 17.933 607 HB3 LYS 81 2HB LYS 81 -3.839 1.287 16.655 608 HG2 LYS 81 1HG LYS 81 -4.582 4.228 16.978 609 HG3 LYS 81 2HG LYS 81 -3.190 3.518 17.772 610 HD2 LYS 81 1HD LYS 81 -3.635 3.343 14.758 611 HD3 LYS 81 2HD LYS 81 -2.740 4.650 15.508 612 HE2 LYS 81 1HE LYS 81 -2.028 1.722 15.978 613 HE3 LYS 81 2HE LYS 81 -1.357 2.643 14.646 614 HZ1 LYS 81 1HZ LYS 81 -0.500 4.220 16.240 615 HZ2 LYS 81 2HZ LYS 81 -1.134 3.373 17.484 616 HZ3 LYS 81 3HZ LYS 81 0.054 2.720 16.574 617 H ASP 82 H ASP 82 -8.140 1.100 15.934 618 HA ASP 82 HA ASP 82 -7.677 -1.560 16.046 619 HB2 ASP 82 1HB ASP 82 -9.890 0.027 15.856 620 HB3 ASP 82 2HB ASP 82 -9.894 -0.648 14.238 621 H LEU 83 H LEU 83 -8.666 -2.998 13.935 622 HA LEU 83 HA LEU 83 -6.854 -2.289 11.740 623 HB2 LEU 83 1HB LEU 83 -6.540 -4.426 13.106 624 HB3 LEU 83 2HB LEU 83 -7.994 -5.013 12.325 625 HG LEU 83 HG LEU 83 -5.652 -5.627 11.367 626 HD11 LEU 83 1HD1 LEU 83 -7.568 -6.403 10.252 627 HD12 LEU 83 2HD1 LEU 83 -8.050 -4.766 9.748 628 HD13 LEU 83 3HD1 LEU 83 -6.629 -5.542 9.009 629 HD21 LEU 83 1HD2 LEU 83 -6.033 -2.970 9.967 630 HD22 LEU 83 2HD2 LEU 83 -4.888 -3.238 11.303 631 HD23 LEU 83 3HD2 LEU 83 -4.696 -4.130 9.774 632 H ILE 84 H ILE 84 -7.753 -1.572 9.889 633 HA ILE 84 HA ILE 84 -10.629 -1.855 9.609 634 HB ILE 84 HB ILE 84 -8.660 -0.286 7.944 635 HG12 ILE 84 1HG1 ILE 84 -10.372 0.694 10.246 636 HG13 ILE 84 2HG1 ILE 84 -8.654 0.369 10.355 637 HG21 ILE 84 1HG2 ILE 84 -11.204 -0.979 7.285 638 HG22 ILE 84 2HG2 ILE 84 -11.482 0.553 8.146 639 HG23 ILE 84 3HG2 ILE 84 -10.387 0.506 6.744 640 HD11 ILE 84 1HD1 ILE 84 -8.071 2.183 8.995 641 HD12 ILE 84 2HD1 ILE 84 -9.638 2.183 8.150 642 HD13 ILE 84 3HD1 ILE 84 -9.521 2.818 9.809 643 H VAL 85 H VAL 85 -7.588 -2.530 7.752 644 HA VAL 85 HA VAL 85 -8.989 -4.784 6.543 645 HB VAL 85 HB VAL 85 -7.584 -2.566 5.050 646 HG11 VAL 85 1HG1 VAL 85 -8.527 -5.261 4.015 647 HG12 VAL 85 2HG1 VAL 85 -7.961 -3.908 3.007 648 HG13 VAL 85 3HG1 VAL 85 -6.842 -4.703 4.140 649 HG21 VAL 85 1HG2 VAL 85 -9.680 -1.769 4.945 650 HG22 VAL 85 2HG2 VAL 85 -9.996 -3.100 3.806 651 HG23 VAL 85 3HG2 VAL 85 -10.385 -3.295 5.532 652 H ASP 86 H ASP 86 -7.522 -6.456 5.768 653 HA ASP 86 HA ASP 86 -4.817 -6.077 6.781 654 HB2 ASP 86 1HB ASP 86 -5.691 -7.533 8.404 655 HB3 ASP 86 2HB ASP 86 -6.798 -8.294 7.278 656 H GLN 87 H GLN 87 -3.860 -5.832 4.693 657 HA GLN 87 HA GLN 87 -4.532 -7.879 2.745 658 HB2 GLN 87 1HB GLN 87 -4.732 -5.486 2.052 659 HB3 GLN 87 2HB GLN 87 -3.028 -5.249 2.384 660 HG2 GLN 87 1HG GLN 87 -3.345 -5.649 -0.019 661 HG3 GLN 87 2HG GLN 87 -2.446 -6.981 0.681 662 HE21 GLN 87 1HE2 GLN 87 -3.044 -8.393 -0.929 663 HE22 GLN 87 2HE2 GLN 87 -4.630 -9.077 -1.066 664 H THR 88 H THR 88 -2.878 -9.150 1.722 665 HA THR 88 HA THR 88 -0.352 -9.168 3.238 666 HB THR 88 HB THR 88 -1.492 -11.232 3.639 667 HG1 THR 88 1HG THR 88 0.068 -12.526 2.642 668 HG21 THR 88 1HG2 THR 88 -2.191 -12.577 1.445 669 HG22 THR 88 2HG2 THR 88 -3.321 -11.395 2.148 670 HG23 THR 88 3HG2 THR 88 -2.331 -10.950 0.737 671 H ILE 89 H ILE 89 1.599 -9.086 2.199 672 HA ILE 89 HA ILE 89 1.708 -7.808 -0.241 673 HB ILE 89 HB ILE 89 3.442 -8.248 1.705 674 HG12 ILE 89 1HG1 ILE 89 5.246 -7.497 0.103 675 HG13 ILE 89 2HG1 ILE 89 4.096 -7.708 -1.203 676 HG21 ILE 89 1HG2 ILE 89 4.392 -10.207 -0.399 677 HG22 ILE 89 2HG2 ILE 89 5.184 -9.792 1.140 678 HG23 ILE 89 3HG2 ILE 89 3.638 -10.674 1.145 679 HD11 ILE 89 1HD1 ILE 89 2.598 -6.228 0.589 680 HD12 ILE 89 2HD1 ILE 89 4.235 -5.587 0.865 681 HD13 ILE 89 3HD1 ILE 89 3.524 -5.541 -0.766 682 H GLU 90 H GLU 90 1.240 -11.203 0.543 683 HA GLU 90 HA GLU 90 2.213 -12.318 -1.783 684 HB2 GLU 90 1HB GLU 90 0.137 -13.122 0.256 685 HB3 GLU 90 2HB GLU 90 0.297 -14.079 -1.203 686 HG2 GLU 90 1HG GLU 90 2.542 -13.440 0.769 687 HG3 GLU 90 2HG GLU 90 1.728 -14.984 0.609 688 H LYS 91 H LYS 91 -1.271 -11.623 -0.963 689 HA LYS 91 HA LYS 91 -2.332 -12.118 -3.419 690 HB2 LYS 91 1HB LYS 91 -3.084 -10.459 -1.072 691 HB3 LYS 91 2HB LYS 91 -3.915 -10.091 -2.569 692 HG2 LYS 91 1HG LYS 91 -5.295 -11.827 -2.043 693 HG3 LYS 91 2HG LYS 91 -3.985 -12.865 -2.570 694 HD2 LYS 91 1HD LYS 91 -3.111 -13.016 -0.270 695 HD3 LYS 91 2HD LYS 91 -4.291 -11.851 0.295 696 HE2 LYS 91 1HE LYS 91 -6.123 -13.463 -0.493 697 HE3 LYS 91 2HE LYS 91 -4.864 -14.643 -0.799 698 HZ1 LYS 91 1HZ LYS 91 -5.746 -14.949 1.372 699 HZ2 LYS 91 2HZ LYS 91 -4.213 -14.408 1.531 700 HZ3 LYS 91 3HZ LYS 91 -5.468 -13.396 1.792 701 H VAL 92 H VAL 92 -0.924 -9.005 -2.213 702 HA VAL 92 HA VAL 92 -1.434 -7.451 -4.399 703 HB VAL 92 HB VAL 92 0.951 -7.536 -2.546 704 HG11 VAL 92 1HG1 VAL 92 0.339 -4.944 -3.756 705 HG12 VAL 92 2HG1 VAL 92 1.897 -5.786 -3.576 706 HG13 VAL 92 3HG1 VAL 92 0.837 -6.161 -4.956 707 HG21 VAL 92 1HG2 VAL 92 -1.226 -7.172 -1.453 708 HG22 VAL 92 2HG2 VAL 92 -0.199 -5.720 -1.372 709 HG23 VAL 92 3HG2 VAL 92 -1.541 -5.798 -2.540 710 H SER 93 H SER 93 -1.134 -7.943 -6.511 711 HA SER 93 HA SER 93 1.140 -9.591 -7.177 712 HB2 SER 93 1HB SER 93 -1.343 -8.706 -8.685 713 HB3 SER 93 2HB SER 93 -0.002 -9.463 -9.521 714 HG SER 93 HG SER 93 -0.400 -11.057 -7.458 715 H PHE 94 H PHE 94 -0.373 -6.405 -8.015 716 HA PHE 94 HA PHE 94 2.290 -5.501 -8.821 717 HB2 PHE 94 1HB PHE 94 0.711 -6.133 -10.775 718 HB3 PHE 94 2HB PHE 94 -0.396 -4.902 -10.199 719 HD1 PHE 94 2HD PHE 94 3.132 -5.322 -11.326 720 HD2 PHE 94 1HD PHE 94 -0.219 -2.737 -11.016 721 HE1 PHE 94 2HE PHE 94 4.335 -3.599 -12.698 722 HE2 PHE 94 1HE PHE 94 0.984 -1.014 -12.388 723 HZ PHE 94 HZ PHE 94 3.246 -1.465 -13.213 724 H CYS 95 H CYS 95 2.599 -3.158 -8.643 725 HA CYS 95 HA CYS 95 0.496 -1.650 -7.409 726 HB2 CYS 95 1HB CYS 95 1.951 -1.023 -5.426 727 HB3 CYS 95 2HB CYS 95 1.226 -2.617 -5.379 728 HG CYS 95 HG CYS 95 3.677 -2.723 -4.438 729 H ALA 96 H ALA 96 0.676 0.391 -8.287 730 HA ALA 96 HA ALA 96 3.351 1.384 -8.895 731 HB1 ALA 96 1HB ALA 96 2.203 0.201 -10.910 732 HB2 ALA 96 2HB ALA 96 1.124 1.618 -10.930 733 HB3 ALA 96 3HB ALA 96 2.877 1.830 -11.157 734 HA PRO 97 HA PRO 97 1.583 5.014 -7.346 735 HB2 PRO 97 1HB PRO 97 3.256 6.919 -8.367 736 HB3 PRO 97 2HB PRO 97 3.652 5.949 -6.962 737 HG2 PRO 97 1HG PRO 97 4.686 5.722 -9.722 738 HG3 PRO 97 2HG PRO 97 5.358 5.070 -8.240 739 HD2 PRO 97 1HD PRO 97 3.913 3.623 -10.252 740 HD3 PRO 97 2HD PRO 97 4.485 2.997 -8.717 741 H ASP 98 H ASP 98 1.352 7.581 -8.295 742 HA ASP 98 HA ASP 98 -0.163 7.122 -10.736 743 HB2 ASP 98 1HB ASP 98 -1.029 8.757 -8.305 744 HB3 ASP 98 2HB ASP 98 -1.874 8.763 -9.840 745 H ARG 99 H ARG 99 -0.678 9.380 -11.810 746 HA ARG 99 HA ARG 99 1.495 11.210 -11.174 747 HB2 ARG 99 1HB ARG 99 2.073 10.128 -13.271 748 HB3 ARG 99 2HB ARG 99 0.446 10.311 -13.895 749 HG2 ARG 99 1HG ARG 99 0.794 12.484 -14.545 750 HG3 ARG 99 2HG ARG 99 1.694 12.882 -13.095 751 HD2 ARG 99 1HD ARG 99 3.441 12.978 -14.618 752 HD3 ARG 99 2HD ARG 99 3.541 11.273 -14.223 753 HE ARG 99 HE ARG 99 1.719 11.312 -16.302 754 HH11 ARG 99 2HH2 ARG 99 4.964 12.612 -15.903 755 HH12 ARG 99 1HH2 ARG 99 5.361 12.481 -17.584 756 HH21 ARG 99 2HH1 ARG 99 2.242 11.140 -18.520 757 HH22 ARG 99 1HH1 ARG 99 3.802 11.638 -19.082 758 H ASN 100 H ASN 100 -1.801 10.729 -12.570 759 HA ASN 100 HA ASN 100 -2.511 13.234 -13.159 760 HB2 ASN 100 1HB ASN 100 -4.259 11.263 -11.594 761 HB3 ASN 100 2HB ASN 100 -4.845 12.560 -12.617 762 HD21 ASN 100 1HD2 ASN 100 -4.018 9.333 -12.436 763 HD22 ASN 100 2HD2 ASN 100 -3.946 8.930 -14.119 764 H PHE 101 H PHE 101 -2.793 11.601 -9.910 765 HA PHE 101 HA PHE 101 -3.412 14.143 -8.674 766 HB2 PHE 101 1HB PHE 101 -2.879 11.432 -7.354 767 HB3 PHE 101 2HB PHE 101 -3.925 12.708 -6.766 768 HD1 PHE 101 2HD PHE 101 -3.614 9.983 -9.212 769 HD2 PHE 101 1HD PHE 101 -6.188 12.916 -7.544 770 HE1 PHE 101 2HE PHE 101 -5.587 8.861 -10.283 771 HE2 PHE 101 1HE PHE 101 -8.161 11.793 -8.615 772 HZ PHE 101 HZ PHE 101 -7.837 9.779 -9.972 773 H ASP 102 H ASP 102 -2.251 13.984 -6.187 774 HA ASP 102 HA ASP 102 0.568 14.140 -6.897 775 HB2 ASP 102 1HB ASP 102 -1.146 15.584 -4.842 776 HB3 ASP 102 2HB ASP 102 0.599 15.550 -4.679 777 H ARG 103 H ARG 103 -1.902 12.989 -4.552 778 HA ARG 103 HA ARG 103 0.124 11.207 -3.484 779 HB2 ARG 103 1HB ARG 103 -0.892 11.486 -1.197 780 HB3 ARG 103 2HB ARG 103 -0.168 12.966 -1.796 781 HG2 ARG 103 1HG ARG 103 -2.685 13.318 -2.764 782 HG3 ARG 103 2HG ARG 103 -3.069 12.293 -1.395 783 HD2 ARG 103 1HD ARG 103 -2.904 14.102 -0.034 784 HD3 ARG 103 2HD ARG 103 -1.195 14.198 -0.406 785 HE ARG 103 HE ARG 103 -1.624 15.961 -1.904 786 HH11 ARG 103 2HH2 ARG 103 -4.648 14.405 -1.000 787 HH12 ARG 103 1HH2 ARG 103 -5.640 15.623 -1.730 788 HH21 ARG 103 2HH1 ARG 103 -2.933 17.567 -2.867 789 HH22 ARG 103 1HH1 ARG 103 -4.658 17.433 -2.800 790 H ALA 104 H ALA 104 -1.014 9.816 -5.182 791 HA ALA 104 HA ALA 104 -3.352 8.563 -3.943 792 HB1 ALA 104 1HB ALA 104 -3.265 8.788 -6.928 793 HB2 ALA 104 2HB ALA 104 -4.662 8.747 -5.825 794 HB3 ALA 104 3HB ALA 104 -3.715 10.243 -6.007 795 H PHE 105 H PHE 105 -2.496 6.625 -3.324 796 HA PHE 105 HA PHE 105 -0.880 5.235 -5.345 797 HB2 PHE 105 1HB PHE 105 0.531 5.671 -3.444 798 HB3 PHE 105 2HB PHE 105 -0.799 5.526 -2.313 799 HD1 PHE 105 1HD PHE 105 1.179 3.455 -4.704 800 HD2 PHE 105 2HD PHE 105 -1.004 3.585 -1.067 801 HE1 PHE 105 1HE PHE 105 1.855 1.088 -4.213 802 HE2 PHE 105 2HE PHE 105 -0.327 1.219 -0.576 803 HZ PHE 105 HZ PHE 105 1.094 -0.002 -2.155 804 H SER 106 H SER 106 -1.693 3.332 -6.101 805 HA SER 106 HA SER 106 -3.575 1.946 -4.380 806 HB2 SER 106 1HB SER 106 -4.974 1.461 -6.462 807 HB3 SER 106 2HB SER 106 -5.057 3.103 -5.856 808 HG SER 106 HG SER 106 -3.100 3.341 -7.505 809 H TYR 107 H TYR 107 -3.704 -0.387 -4.827 810 HA TYR 107 HA TYR 107 -1.717 -1.387 -6.721 811 HB2 TYR 107 1HB TYR 107 -0.752 -2.771 -4.918 812 HB3 TYR 107 2HB TYR 107 -0.786 -1.121 -4.328 813 HD1 TYR 107 1HD TYR 107 -2.882 -4.232 -4.316 814 HD2 TYR 107 2HD TYR 107 -1.704 -0.687 -2.230 815 HE1 TYR 107 1HE TYR 107 -4.209 -4.980 -2.280 816 HE2 TYR 107 2HE TYR 107 -3.035 -1.447 -0.202 817 HH TYR 107 HH TYR 107 -5.354 -3.463 -0.222 818 H ILE 108 H ILE 108 -2.067 -3.625 -7.347 819 HA ILE 108 HA ILE 108 -4.873 -4.340 -7.068 820 HB ILE 108 HB ILE 108 -2.748 -5.504 -8.868 821 HG12 ILE 108 1HG1 ILE 108 -4.682 -3.221 -9.325 822 HG13 ILE 108 2HG1 ILE 108 -2.932 -3.174 -9.403 823 HG21 ILE 108 1HG2 ILE 108 -4.889 -6.823 -8.301 824 HG22 ILE 108 2HG2 ILE 108 -5.728 -5.605 -9.290 825 HG23 ILE 108 3HG2 ILE 108 -4.449 -6.610 -10.012 826 HD11 ILE 108 1HD1 ILE 108 -3.516 -5.209 -11.198 827 HD12 ILE 108 2HD1 ILE 108 -4.882 -4.092 -11.431 828 HD13 ILE 108 3HD1 ILE 108 -3.212 -3.512 -11.640 829 H CYS 109 H CYS 109 -5.563 -6.439 -6.371 830 HA CYS 109 HA CYS 109 -3.588 -8.230 -5.332 831 HB2 CYS 109 1HB CYS 109 -4.176 -8.161 -3.028 832 HB3 CYS 109 2HB CYS 109 -3.829 -6.510 -3.504 833 HG CYS 109 HG CYS 109 -6.700 -8.061 -3.030 834 H ARG 110 H ARG 110 -4.471 -10.343 -5.233 835 HA ARG 110 HA ARG 110 -6.993 -10.594 -6.504 836 HB2 ARG 110 1HB ARG 110 -5.042 -12.123 -6.961 837 HB3 ARG 110 2HB ARG 110 -5.151 -12.736 -5.323 838 HG2 ARG 110 1HG ARG 110 -7.776 -12.869 -6.574 839 HG3 ARG 110 2HG ARG 110 -6.597 -13.630 -7.624 840 HD2 ARG 110 1HD ARG 110 -5.762 -14.801 -5.387 841 HD3 ARG 110 2HD ARG 110 -7.348 -14.367 -4.780 842 HE ARG 110 HE ARG 110 -7.586 -15.611 -7.377 843 HH11 ARG 110 2HH2 ARG 110 -6.968 -16.358 -3.994 844 HH12 ARG 110 1HH2 ARG 110 -7.565 -17.980 -4.111 845 HH21 ARG 110 2HH1 ARG 110 -8.374 -17.750 -7.531 846 HH22 ARG 110 1HH1 ARG 110 -8.370 -18.777 -6.136 847 H ASP 111 H ASP 111 -8.699 -9.984 -5.123 848 HA ASP 111 HA ASP 111 -8.823 -10.227 -2.461 849 HB2 ASP 111 1HB ASP 111 -10.528 -9.285 -4.232 850 HB3 ASP 111 2HB ASP 111 -11.237 -10.886 -4.185 851 H GLY 112 H GLY 112 -9.365 -11.903 -0.960 852 HA2 GLY 112 1HA GLY 112 -9.424 -14.618 -2.091 853 HA3 GLY 112 2HA GLY 112 -8.949 -14.167 -0.466 854 H THR 113 H THR 113 -11.291 -12.216 -0.242 855 HA THR 113 HA THR 113 -13.131 -14.071 0.870 856 HB THR 113 HB THR 113 -14.419 -11.663 0.896 857 HG1 THR 113 1HG THR 113 -12.963 -10.384 -0.219 858 HG21 THR 113 1HG2 THR 113 -13.832 -12.006 3.084 859 HG22 THR 113 2HG2 THR 113 -12.406 -12.962 2.613 860 HG23 THR 113 3HG2 THR 113 -12.299 -11.187 2.698 861 H THR 114 H THR 114 -12.948 -12.246 -2.200 862 HA THR 114 HA THR 114 -15.490 -13.516 -2.971 863 HB THR 114 HB THR 114 -14.037 -10.998 -3.933 864 HG1 THR 114 1HG THR 114 -15.270 -10.847 -1.939 865 HG21 THR 114 1HG2 THR 114 -15.513 -10.821 -5.693 866 HG22 THR 114 2HG2 THR 114 -15.679 -12.585 -5.527 867 HG23 THR 114 3HG2 THR 114 -16.854 -11.503 -4.742 868 H ARG 115 H ARG 115 -12.054 -13.553 -3.401 869 HA ARG 115 HA ARG 115 -10.775 -14.796 -4.623 870 HB2 ARG 115 1HB ARG 115 -13.337 -16.156 -5.602 871 HB3 ARG 115 2HB ARG 115 -11.719 -16.763 -5.897 872 HG2 ARG 115 1HG ARG 115 -12.065 -16.196 -3.053 873 HG3 ARG 115 2HG ARG 115 -13.356 -17.240 -3.613 874 HD2 ARG 115 1HD ARG 115 -10.396 -17.775 -4.154 875 HD3 ARG 115 2HD ARG 115 -11.279 -18.474 -2.812 876 HE ARG 115 HE ARG 115 -12.771 -19.008 -5.176 877 HH11 ARG 115 2HH2 ARG 115 -9.679 -19.879 -3.739 878 HH12 ARG 115 1HH2 ARG 115 -9.603 -21.421 -4.525 879 HH21 ARG 115 2HH1 ARG 115 -12.672 -21.042 -6.213 880 HH22 ARG 115 1HH1 ARG 115 -11.317 -22.087 -5.942 881 H ARG 116 H ARG 116 -11.100 -12.337 -5.638 882 HA ARG 116 HA ARG 116 -11.136 -12.852 -8.472 883 HB2 ARG 116 1HB ARG 116 -12.551 -10.864 -8.939 884 HB3 ARG 116 2HB ARG 116 -13.428 -12.024 -7.961 885 HG2 ARG 116 1HG ARG 116 -13.586 -10.589 -6.192 886 HG3 ARG 116 2HG ARG 116 -11.899 -10.126 -6.302 887 HD2 ARG 116 1HD ARG 116 -13.637 -8.268 -6.759 888 HD3 ARG 116 2HD ARG 116 -12.340 -8.427 -7.927 889 HE ARG 116 HE ARG 116 -13.874 -9.279 -9.524 890 HH11 ARG 116 2HH2 ARG 116 -15.414 -8.908 -6.383 891 HH12 ARG 116 1HH2 ARG 116 -17.019 -9.114 -7.002 892 HH21 ARG 116 2HH1 ARG 116 -15.990 -9.551 -10.343 893 HH22 ARG 116 1HH1 ARG 116 -17.348 -9.482 -9.270 894 H TRP 117 H TRP 117 -10.767 -10.201 -9.386 895 HA TRP 117 HA TRP 117 -8.196 -9.588 -8.140 896 HB2 TRP 117 1HB TRP 117 -9.291 -8.576 -10.764 897 HB3 TRP 117 2HB TRP 117 -7.644 -8.467 -10.177 898 HD1 TRP 117 HD TRP 117 -10.021 -10.910 -11.899 899 HE1 TRP 117 1HE TRP 117 -8.769 -13.085 -12.714 900 HE3 TRP 117 3HE TRP 117 -5.650 -9.927 -9.494 901 HZ2 TRP 117 2HZ TRP 117 -6.149 -14.127 -12.272 902 HZ3 TRP 117 3HZ TRP 117 -3.795 -11.575 -9.738 903 HH2 TRP 117 HH TRP 117 -3.992 -13.615 -11.069 904 H ILE 118 H ILE 118 -8.272 -8.033 -6.574 905 HA ILE 118 HA ILE 118 -10.149 -5.817 -7.019 906 HB ILE 118 HB ILE 118 -9.501 -7.318 -4.491 907 HG12 ILE 118 1HG1 ILE 118 -11.333 -8.139 -5.991 908 HG13 ILE 118 2HG1 ILE 118 -11.838 -7.731 -4.363 909 HG21 ILE 118 1HG2 ILE 118 -10.462 -4.503 -4.843 910 HG22 ILE 118 2HG2 ILE 118 -11.106 -5.486 -3.506 911 HG23 ILE 118 3HG2 ILE 118 -9.355 -5.193 -3.632 912 HD11 ILE 118 1HD1 ILE 118 -12.396 -6.281 -6.946 913 HD12 ILE 118 2HD1 ILE 118 -13.497 -6.656 -5.600 914 HD13 ILE 118 3HD1 ILE 118 -12.316 -5.334 -5.441 915 H CYS 119 H CYS 119 -9.345 -3.739 -6.725 916 HA CYS 119 HA CYS 119 -6.477 -3.649 -6.127 917 HB2 CYS 119 1HB CYS 119 -6.915 -3.088 -8.462 918 HB3 CYS 119 2HB CYS 119 -8.094 -1.880 -7.990 919 HG CYS 119 HG CYS 119 -6.603 -0.071 -7.686 920 H HIS 120 H HIS 120 -5.819 -2.176 -4.521 921 HA HIS 120 HA HIS 120 -8.020 -0.764 -3.207 922 HB2 HIS 120 1HB HIS 120 -5.507 -2.060 -2.184 923 HB3 HIS 120 2HB HIS 120 -6.255 -0.764 -1.272 924 HD1 HIS 120 1HD HIS 120 -8.650 -1.224 -0.251 925 HD2 HIS 120 2HD HIS 120 -6.853 -4.524 -2.115 926 HE1 HIS 120 1HE HIS 120 -9.981 -3.273 0.484 927 H CYS 121 H CYS 121 -7.854 1.450 -2.782 928 HA CYS 121 HA CYS 121 -5.478 2.711 -3.949 929 HB2 CYS 121 1HB CYS 121 -8.294 3.844 -3.889 930 HB3 CYS 121 2HB CYS 121 -6.882 4.599 -4.602 931 HG CYS 121 HG CYS 121 -6.819 1.699 -5.645 932 H PHE 122 H PHE 122 -4.656 4.585 -2.784 933 HA PHE 122 HA PHE 122 -5.913 5.141 -0.223 934 HB2 PHE 122 1HB PHE 122 -2.965 4.374 -0.665 935 HB3 PHE 122 2HB PHE 122 -3.661 4.823 0.879 936 HD1 PHE 122 1HD PHE 122 -3.802 2.251 -1.788 937 HD2 PHE 122 2HD PHE 122 -4.679 3.208 2.252 938 HE1 PHE 122 1HE PHE 122 -4.353 -0.156 -1.337 939 HE2 PHE 122 2HE PHE 122 -5.230 0.802 2.703 940 HZ PHE 122 HZ PHE 122 -5.060 -0.852 0.903 941 H MET 123 H MET 123 -5.921 7.312 0.166 942 HA MET 123 HA MET 123 -4.247 8.910 -1.581 943 HB2 MET 123 1HB MET 123 -6.909 9.163 -0.282 944 HB3 MET 123 2HB MET 123 -5.951 10.622 -0.125 945 HG2 MET 123 1HG MET 123 -5.982 9.349 -2.844 946 HG3 MET 123 2HG MET 123 -7.486 10.076 -2.315 947 HE1 MET 123 1HE MET 123 -4.573 10.508 -4.226 948 HE2 MET 123 2HE MET 123 -6.013 11.325 -4.879 949 HE3 MET 123 3HE MET 123 -4.544 12.264 -4.515 950 H ALA 124 H ALA 124 -2.224 9.120 -0.630 951 HA ALA 124 HA ALA 124 -1.606 9.083 2.010 952 HB1 ALA 124 1HB ALA 124 0.449 9.477 1.176 953 HB2 ALA 124 2HB ALA 124 -0.321 9.621 -0.423 954 HB3 ALA 124 3HB ALA 124 -0.033 11.076 0.562 955 H VAL 125 H VAL 125 -1.067 10.808 3.572 956 HA VAL 125 HA VAL 125 -3.077 12.907 3.425 957 HB VAL 125 HB VAL 125 -1.377 11.722 5.611 958 HG11 VAL 125 1HG1 VAL 125 -3.117 13.507 6.848 959 HG12 VAL 125 2HG1 VAL 125 -1.359 13.704 6.650 960 HG13 VAL 125 3HG1 VAL 125 -2.475 14.424 5.464 961 HG21 VAL 125 1HG2 VAL 125 -3.811 11.544 6.586 962 HG22 VAL 125 2HG2 VAL 125 -4.292 11.727 4.883 963 HG23 VAL 125 3HG2 VAL 125 -3.243 10.375 5.370 964 H LYS 126 H LYS 126 0.420 12.623 4.400 965 HA LYS 126 HA LYS 126 0.834 15.195 3.054 966 HB2 LYS 126 1HB LYS 126 2.279 15.923 4.882 967 HB3 LYS 126 2HB LYS 126 0.644 15.640 5.443 968 HG2 LYS 126 1HG LYS 126 1.514 13.216 6.024 969 HG3 LYS 126 2HG LYS 126 3.110 13.927 5.891 970 HD2 LYS 126 1HD LYS 126 1.478 15.711 7.471 971 HD3 LYS 126 2HD LYS 126 1.261 14.089 8.099 972 HE2 LYS 126 1HE LYS 126 3.160 15.016 9.262 973 HE3 LYS 126 2HE LYS 126 3.804 13.844 8.130 974 HZ1 LYS 126 1HZ LYS 126 4.791 15.441 6.965 975 HZ2 LYS 126 2HZ LYS 126 3.537 16.483 7.061 976 HZ3 LYS 126 3HZ LYS 126 4.602 16.371 8.294 977 H ASP 127 H ASP 127 1.179 12.681 1.838 978 HA ASP 127 HA ASP 127 4.058 12.744 1.573 979 HB2 ASP 127 1HB ASP 127 2.366 10.247 2.030 980 HB3 ASP 127 2HB ASP 127 3.987 10.177 1.369 981 H THR 128 H THR 128 4.653 11.334 -0.510 982 HA THR 128 HA THR 128 2.613 11.928 -2.531 983 HB THR 128 HB THR 128 4.889 12.967 -2.742 984 HG1 THR 128 1HG THR 128 5.093 12.138 -4.952 985 HG21 THR 128 1HG2 THR 128 6.023 10.287 -3.508 986 HG22 THR 128 2HG2 THR 128 6.858 11.724 -2.871 987 HG23 THR 128 3HG2 THR 128 5.954 10.658 -1.768 988 H GLY 129 H GLY 129 2.109 10.399 -4.205 989 HA2 GLY 129 1HA GLY 129 1.488 7.867 -3.274 990 HA3 GLY 129 2HA GLY 129 1.559 8.355 -4.956 991 H GLU 130 H GLU 130 4.432 9.095 -4.931 992 HA GLU 130 HA GLU 130 5.477 6.682 -5.695 993 HB2 GLU 130 1HB GLU 130 6.284 9.362 -5.714 994 HB3 GLU 130 2HB GLU 130 7.505 8.589 -4.723 995 HG2 GLU 130 1HG GLU 130 8.385 8.304 -6.886 996 HG3 GLU 130 2HG GLU 130 7.584 6.769 -6.618 997 H ARG 131 H ARG 131 6.061 8.540 -2.623 998 HA ARG 131 HA ARG 131 7.785 6.827 -1.464 999 HB2 ARG 131 1HB ARG 131 5.713 8.756 -0.455 1000 HB3 ARG 131 2HB ARG 131 6.355 7.633 0.727 1001 HG2 ARG 131 1HG ARG 131 8.486 8.548 0.662 1002 HG3 ARG 131 2HG ARG 131 8.379 8.961 -1.038 1003 HD2 ARG 131 1HD ARG 131 6.402 10.513 0.414 1004 HD3 ARG 131 2HD ARG 131 7.947 10.679 1.225 1005 HE ARG 131 HE ARG 131 8.355 10.942 -1.604 1006 HH11 ARG 131 2HH2 ARG 131 6.943 12.681 1.111 1007 HH12 ARG 131 1HH2 ARG 131 7.193 14.243 0.404 1008 HH21 ARG 131 2HH1 ARG 131 8.684 13.003 -2.536 1009 HH22 ARG 131 1HH1 ARG 131 8.189 14.427 -1.684 1010 H LEU 132 H LEU 132 4.218 6.592 -1.751 1011 HA LEU 132 HA LEU 132 3.953 4.438 0.071 1012 HB2 LEU 132 1HB LEU 132 2.194 5.670 -2.034 1013 HB3 LEU 132 2HB LEU 132 1.710 4.223 -1.172 1014 HG LEU 132 HG LEU 132 2.376 5.821 0.924 1015 HD11 LEU 132 1HD1 LEU 132 2.046 7.590 -1.373 1016 HD12 LEU 132 2HD1 LEU 132 0.925 7.970 -0.044 1017 HD13 LEU 132 3HD1 LEU 132 2.678 7.926 0.257 1018 HD21 LEU 132 1HD2 LEU 132 0.228 4.495 0.276 1019 HD22 LEU 132 2HD2 LEU 132 0.123 5.848 1.428 1020 HD23 LEU 132 3HD2 LEU 132 -0.367 6.082 -0.267 1021 H SER 133 H SER 133 4.706 4.773 -3.392 1022 HA SER 133 HA SER 133 4.188 2.091 -4.015 1023 HB2 SER 133 1HB SER 133 4.644 2.790 -6.124 1024 HB3 SER 133 2HB SER 133 4.794 4.395 -5.437 1025 HG SER 133 HG SER 133 7.063 4.114 -5.251 1026 H HIS 134 H HIS 134 6.787 3.765 -2.376 1027 HA HIS 134 HA HIS 134 8.790 1.830 -2.980 1028 HB2 HIS 134 1HB HIS 134 9.390 4.134 -2.520 1029 HB3 HIS 134 2HB HIS 134 8.642 4.061 -0.937 1030 HD1 HIS 134 1HD HIS 134 10.279 3.737 0.911 1031 HD2 HIS 134 2HD HIS 134 11.588 1.980 -2.666 1032 HE1 HIS 134 1HE HIS 134 12.583 2.755 1.398 1033 H ALA 135 H ALA 135 7.010 2.731 0.066 1034 HA ALA 135 HA ALA 135 7.876 0.724 1.664 1035 HB1 ALA 135 1HB ALA 135 6.223 1.453 3.053 1036 HB2 ALA 135 2HB ALA 135 6.025 2.723 1.823 1037 HB3 ALA 135 3HB ALA 135 4.963 1.294 1.807 1038 H VAL 136 H VAL 136 4.936 0.591 -0.476 1039 HA VAL 136 HA VAL 136 4.370 -2.079 0.018 1040 HB VAL 136 HB VAL 136 2.866 -0.419 -1.004 1041 HG11 VAL 136 1HG1 VAL 136 3.330 0.711 -2.880 1042 HG12 VAL 136 2HG1 VAL 136 4.982 0.061 -2.753 1043 HG13 VAL 136 3HG1 VAL 136 3.772 -0.775 -3.755 1044 HG21 VAL 136 1HG2 VAL 136 2.318 -2.103 -3.082 1045 HG22 VAL 136 2HG2 VAL 136 3.330 -3.144 -2.051 1046 HG23 VAL 136 3HG2 VAL 136 1.854 -2.400 -1.389 1047 H GLY 137 H GLY 137 6.734 -0.508 -2.132 1048 HA2 GLY 137 1HA GLY 137 7.319 -2.948 -3.570 1049 HA3 GLY 137 2HA GLY 137 8.117 -1.395 -3.717 1050 H CYS 138 H CYS 138 8.027 -1.757 -0.448 1051 HA CYS 138 HA CYS 138 10.740 -2.733 -0.418 1052 HB2 CYS 138 1HB CYS 138 8.974 -1.454 1.685 1053 HB3 CYS 138 2HB CYS 138 10.559 -2.105 2.053 1054 HG CYS 138 HG CYS 138 10.462 0.592 1.686 1055 H ALA 139 H ALA 139 7.672 -3.365 1.456 1056 HA ALA 139 HA ALA 139 8.455 -5.674 2.686 1057 HB1 ALA 139 1HB ALA 139 5.833 -6.156 2.340 1058 HB2 ALA 139 2HB ALA 139 6.429 -4.897 3.449 1059 HB3 ALA 139 3HB ALA 139 5.862 -4.453 1.821 1060 H PHE 140 H PHE 140 7.442 -5.127 -0.690 1061 HA PHE 140 HA PHE 140 7.018 -7.834 -1.321 1062 HB2 PHE 140 1HB PHE 140 6.756 -5.294 -2.487 1063 HB3 PHE 140 2HB PHE 140 8.107 -5.950 -3.389 1064 HD1 PHE 140 2HD PHE 140 4.548 -6.417 -2.575 1065 HD2 PHE 140 1HD PHE 140 7.793 -7.700 -4.991 1066 HE1 PHE 140 2HE PHE 140 2.953 -7.676 -4.049 1067 HE2 PHE 140 1HE PHE 140 6.198 -8.958 -6.465 1068 HZ PHE 140 HZ PHE 140 3.797 -8.932 -5.976 1069 H ALA 141 H ALA 141 9.841 -5.613 -1.896 1070 HA ALA 141 HA ALA 141 11.460 -7.567 -3.059 1071 HB1 ALA 141 1HB ALA 141 11.867 -5.166 -3.281 1072 HB2 ALA 141 2HB ALA 141 12.143 -5.024 -1.528 1073 HB3 ALA 141 3HB ALA 141 13.284 -5.946 -2.537 1074 H ALA 142 H ALA 142 10.447 -7.011 0.242 1075 HA ALA 142 HA ALA 142 12.701 -8.425 1.364 1076 HB1 ALA 142 1HB ALA 142 11.736 -7.861 3.462 1077 HB2 ALA 142 2HB ALA 142 11.427 -6.454 2.417 1078 HB3 ALA 142 3HB ALA 142 10.124 -7.620 2.748 1079 H CYS 143 H CYS 143 9.094 -8.903 1.225 1080 HA CYS 143 HA CYS 143 9.070 -11.448 2.217 1081 HB2 CYS 143 1HB CYS 143 7.075 -9.999 1.781 1082 HB3 CYS 143 2HB CYS 143 7.217 -10.360 0.072 1083 HG CYS 143 HG CYS 143 5.442 -11.976 0.615 1084 H LEU 144 H LEU 144 9.524 -10.256 -1.171 1085 HA LEU 144 HA LEU 144 9.661 -12.831 -2.312 1086 HB2 LEU 144 1HB LEU 144 10.522 -10.094 -3.232 1087 HB3 LEU 144 2HB LEU 144 10.733 -11.529 -4.215 1088 HG LEU 144 HG LEU 144 8.191 -10.155 -3.390 1089 HD11 LEU 144 1HD1 LEU 144 9.008 -9.398 -5.463 1090 HD12 LEU 144 2HD1 LEU 144 9.424 -11.044 -5.999 1091 HD13 LEU 144 3HD1 LEU 144 7.718 -10.558 -5.860 1092 HD21 LEU 144 1HD2 LEU 144 7.101 -12.253 -4.554 1093 HD22 LEU 144 2HD2 LEU 144 8.555 -13.073 -3.936 1094 HD23 LEU 144 3HD2 LEU 144 7.454 -12.244 -2.809 1095 H GLU 145 H GLU 145 12.058 -10.576 -0.884 1096 HA GLU 145 HA GLU 145 14.355 -11.642 -1.765 1097 HB2 GLU 145 1HB GLU 145 13.515 -9.983 0.410 1098 HB3 GLU 145 2HB GLU 145 14.617 -11.169 1.083 1099 HG2 GLU 145 1HG GLU 145 15.512 -10.023 -1.514 1100 HG3 GLU 145 2HG GLU 145 15.389 -8.847 -0.221 1101 H ARG 146 H ARG 146 11.978 -13.130 0.365 1102 HA ARG 146 HA ARG 146 13.748 -15.010 1.475 1103 HB2 ARG 146 1HB ARG 146 10.728 -14.734 1.298 1104 HB3 ARG 146 2HB ARG 146 11.421 -16.221 1.914 1105 HG2 ARG 146 1HG ARG 146 11.612 -15.216 3.937 1106 HG3 ARG 146 2HG ARG 146 12.858 -14.191 3.252 1107 HD2 ARG 146 1HD ARG 146 11.258 -12.461 2.678 1108 HD3 ARG 146 2HD ARG 146 9.896 -13.522 2.979 1109 HE ARG 146 HE ARG 146 11.407 -12.033 4.975 1110 HH11 ARG 146 2HH2 ARG 146 9.462 -14.920 4.463 1111 HH12 ARG 146 1HH2 ARG 146 8.985 -15.048 6.123 1112 HH21 ARG 146 2HH1 ARG 146 10.778 -12.202 7.166 1113 HH22 ARG 146 1HH1 ARG 146 9.738 -13.492 7.671 1114 H LYS 147 H LYS 147 11.572 -14.872 -1.378 1115 HA LYS 147 HA LYS 147 12.141 -17.644 -2.017 1116 HB2 LYS 147 1HB LYS 147 10.279 -17.589 -3.296 1117 HB3 LYS 147 2HB LYS 147 9.882 -16.223 -2.273 1118 HG2 LYS 147 1HG LYS 147 10.787 -14.648 -3.946 1119 HG3 LYS 147 2HG LYS 147 11.343 -15.977 -4.945 1120 HD2 LYS 147 1HD LYS 147 9.132 -16.625 -5.545 1121 HD3 LYS 147 2HD LYS 147 8.412 -15.790 -4.183 1122 HE2 LYS 147 1HE LYS 147 7.960 -14.125 -5.683 1123 HE3 LYS 147 2HE LYS 147 9.646 -13.687 -5.488 1124 HZ1 LYS 147 1HZ LYS 147 8.497 -14.421 -7.792 1125 HZ2 LYS 147 2HZ LYS 147 10.106 -14.422 -7.512 1126 HZ3 LYS 147 3HZ LYS 147 9.248 -15.802 -7.350 1127 H GLN 148 H GLN 148 12.618 -14.334 -3.419 1128 HA GLN 148 HA GLN 148 14.609 -15.541 -5.163 1129 HB2 GLN 148 1HB GLN 148 14.377 -13.531 -6.555 1130 HB3 GLN 148 2HB GLN 148 12.803 -14.248 -6.273 1131 HG2 GLN 148 1HG GLN 148 12.093 -12.251 -5.470 1132 HG3 GLN 148 2HG GLN 148 13.172 -12.460 -4.105 1133 HE21 GLN 148 1HE2 GLN 148 13.464 -10.221 -4.011 1134 HE22 GLN 148 2HE2 GLN 148 14.515 -9.373 -5.096 1135 H LYS 149 H LYS 149 16.509 -13.865 -5.679 1136 HA LYS 149 HA LYS 149 17.286 -12.568 -3.167 1137 HB2 LYS 149 1HB LYS 149 19.496 -13.480 -3.296 1138 HB3 LYS 149 2HB LYS 149 18.355 -14.808 -3.349 1139 HG2 LYS 149 1HG LYS 149 19.521 -15.485 -5.192 1140 HG3 LYS 149 2HG LYS 149 18.613 -14.250 -6.039 1141 HD2 LYS 149 1HD LYS 149 20.505 -12.608 -5.305 1142 HD3 LYS 149 2HD LYS 149 21.426 -14.042 -4.898 1143 HE2 LYS 149 1HE LYS 149 22.065 -13.540 -7.142 1144 HE3 LYS 149 2HE LYS 149 20.942 -14.876 -7.297 1145 HZ1 LYS 149 1HZ LYS 149 19.196 -13.203 -7.675 1146 HZ2 LYS 149 2HZ LYS 149 20.333 -12.031 -7.693 1147 HZ3 LYS 149 3HZ LYS 149 20.350 -13.202 -8.831 1148 H ARG 150 H ARG 150 18.908 -10.834 -3.468 1149 HA ARG 150 HA ARG 150 19.050 -9.927 -6.212 1150 HB2 ARG 150 1HB ARG 150 18.482 -7.584 -5.466 1151 HB3 ARG 150 2HB ARG 150 17.141 -8.699 -5.287 1152 HG2 ARG 150 1HG ARG 150 17.684 -8.987 -2.871 1153 HG3 ARG 150 2HG ARG 150 19.056 -7.910 -3.040 1154 HD2 ARG 150 1HD ARG 150 17.486 -6.068 -3.760 1155 HD3 ARG 150 2HD ARG 150 16.131 -7.150 -3.508 1156 HE ARG 150 HE ARG 150 17.792 -7.042 -1.140 1157 HH11 ARG 150 2HH2 ARG 150 15.366 -5.221 -2.924 1158 HH12 ARG 150 1HH2 ARG 150 14.796 -4.367 -1.529 1159 HH21 ARG 150 2HH1 ARG 150 17.041 -5.915 0.701 1160 HH22 ARG 150 1HH1 ARG 150 15.755 -4.764 0.547 1161 H SER 151 H SER 151 20.939 -8.612 -6.652 1162 HA SER 151 HA SER 151 23.054 -8.143 -6.438 1163 HB2 SER 151 1HB SER 151 21.652 -6.597 -4.590 1164 HB3 SER 151 2HB SER 151 22.962 -7.241 -3.622 1165 HG SER 151 HG SER 151 24.478 -6.419 -5.209 1166 H GLY 152 H GLY 152 24.066 -10.196 -6.499 1167 HA2 GLY 152 1HA GLY 152 24.216 -11.867 -4.176 1168 HA3 GLY 152 2HA GLY 152 25.018 -12.096 -5.717 1169 HA PRO 153 HA PRO 153 27.912 -10.347 -2.492 1170 HB2 PRO 153 1HB PRO 153 28.929 -12.575 -1.279 1171 HB3 PRO 153 2HB PRO 153 27.651 -11.602 -0.579 1172 HG2 PRO 153 1HG PRO 153 27.463 -14.247 -1.886 1173 HG3 PRO 153 2HG PRO 153 26.311 -13.462 -0.823 1174 HD2 PRO 153 1HD PRO 153 26.129 -13.698 -3.676 1175 HD3 PRO 153 2HD PRO 153 25.039 -12.815 -2.626 1176 H SER 154 H SER 154 29.920 -9.752 -3.106 1177 HA SER 154 HA SER 154 31.760 -11.511 -4.061 1178 HB2 SER 154 1HB SER 154 29.779 -11.305 -5.982 1179 HB3 SER 154 2HB SER 154 30.912 -10.083 -6.525 1180 HG SER 154 HG SER 154 31.646 -11.947 -7.481 1181 H SER 155 H SER 155 32.086 -9.521 -2.340 1182 HA SER 155 HA SER 155 33.427 -7.857 -1.904 1183 HB2 SER 155 1HB SER 155 34.736 -8.699 -3.974 1184 HB3 SER 155 2HB SER 155 33.957 -7.407 -4.866 1185 HG SER 155 HG SER 155 35.468 -6.111 -4.105 1186 H GLY 156 H GLY 156 31.762 -7.119 -5.063 1187 HA2 GLY 156 1HA GLY 156 29.705 -5.683 -4.608 1188 HA3 GLY 156 2HA GLY 156 30.851 -4.569 -3.889 Start of MODEL 3 1 H1 GLY 1 H GLY 1 8.181 -4.585 -14.100 2 HA2 GLY 1 1HA GLY 1 8.188 -2.182 -14.681 3 HA3 GLY 1 2HA GLY 1 7.593 -2.500 -13.064 4 H SER 2 H SER 2 9.327 -2.525 -11.253 5 HA SER 2 HA SER 2 11.714 -1.116 -11.820 6 HB2 SER 2 1HB SER 2 9.321 0.360 -10.877 7 HB3 SER 2 2HB SER 2 10.741 0.625 -9.886 8 HG SER 2 HG SER 2 10.936 2.151 -11.480 9 H SER 3 H SER 3 13.186 -1.203 -9.999 10 HA SER 3 HA SER 3 12.098 -2.640 -7.710 11 HB2 SER 3 1HB SER 3 13.829 -3.745 -9.602 12 HB3 SER 3 2HB SER 3 14.925 -3.241 -8.330 13 HG SER 3 HG SER 3 12.732 -5.098 -8.187 14 H GLY 4 H GLY 4 15.075 -0.939 -8.951 15 HA2 GLY 4 1HA GLY 4 16.501 0.479 -7.936 16 HA3 GLY 4 2HA GLY 4 15.052 1.230 -7.299 17 H SER 5 H SER 5 15.757 1.746 -5.216 18 HA SER 5 HA SER 5 16.197 1.444 -3.113 19 HB2 SER 5 1HB SER 5 14.361 -0.278 -3.257 20 HB3 SER 5 2HB SER 5 15.573 -1.511 -3.545 21 HG SER 5 HG SER 5 16.556 -0.742 -1.433 22 H SER 6 H SER 6 18.039 1.028 -1.770 23 HA SER 6 HA SER 6 20.029 0.317 -1.220 24 HB2 SER 6 1HB SER 6 19.096 -1.932 -2.433 25 HB3 SER 6 2HB SER 6 20.417 -1.561 -3.523 26 HG SER 6 HG SER 6 21.386 -1.246 -1.028 27 H GLY 7 H GLY 7 21.902 1.483 -1.583 28 HA2 GLY 7 1HA GLY 7 23.692 2.124 -2.993 29 HA3 GLY 7 2HA GLY 7 22.611 2.113 -4.373 30 H ALA 8 H ALA 8 24.393 4.229 -2.818 31 HA ALA 8 HA ALA 8 24.348 6.430 -2.583 32 HB1 ALA 8 1HB ALA 8 21.557 6.759 -3.598 33 HB2 ALA 8 2HB ALA 8 23.041 7.642 -4.027 34 HB3 ALA 8 3HB ALA 8 22.736 6.027 -4.711 35 H SER 9 H SER 9 24.119 7.530 -0.688 36 HA SER 9 HA SER 9 22.396 6.465 1.252 37 HB2 SER 9 1HB SER 9 23.960 9.085 1.272 38 HB3 SER 9 2HB SER 9 23.264 8.307 2.680 39 HG SER 9 HG SER 9 25.017 6.749 1.059 40 H ARG 10 H ARG 10 20.578 7.531 2.328 41 HA ARG 10 HA ARG 10 19.511 9.787 0.863 42 HB2 ARG 10 1HB ARG 10 18.229 7.082 1.236 43 HB3 ARG 10 2HB ARG 10 17.182 8.483 1.337 44 HG2 ARG 10 1HG ARG 10 19.029 8.674 -0.949 45 HG3 ARG 10 2HG ARG 10 18.061 7.214 -1.022 46 HD2 ARG 10 1HD ARG 10 16.029 8.801 -0.472 47 HD3 ARG 10 2HD ARG 10 17.107 10.099 -0.948 48 HE ARG 10 HE ARG 10 16.878 9.433 -3.178 49 HH11 ARG 10 2HH2 ARG 10 15.883 6.783 -1.087 50 HH12 ARG 10 1HH2 ARG 10 15.308 5.801 -2.392 51 HH21 ARG 10 2HH1 ARG 10 16.119 8.137 -4.900 52 HH22 ARG 10 1HH1 ARG 10 15.443 6.576 -4.576 53 HA PRO 11 HA PRO 11 18.369 11.088 4.866 54 HB2 PRO 11 1HB PRO 11 16.143 12.614 4.437 55 HB3 PRO 11 2HB PRO 11 17.771 13.188 4.135 56 HG2 PRO 11 1HG PRO 11 15.714 12.338 2.189 57 HG3 PRO 11 2HG PRO 11 17.156 13.296 1.914 58 HD2 PRO 11 1HD PRO 11 16.785 10.527 1.262 59 HD3 PRO 11 2HD PRO 11 18.263 11.455 1.095 60 H HIS 12 H HIS 12 16.265 11.494 6.394 61 HA HIS 12 HA HIS 12 15.317 8.802 6.668 62 HB2 HIS 12 1HB HIS 12 15.888 10.894 8.404 63 HB3 HIS 12 2HB HIS 12 14.137 10.824 8.428 64 HD1 HIS 12 1HD HIS 12 13.410 9.484 10.396 65 HD2 HIS 12 2HD HIS 12 16.815 7.856 8.565 66 HE1 HIS 12 1HE HIS 12 13.966 7.355 11.687 67 H GLN 13 H GLN 13 13.963 8.385 4.884 68 HA GLN 13 HA GLN 13 11.355 9.489 5.189 69 HB2 GLN 13 1HB GLN 13 13.163 10.432 3.047 70 HB3 GLN 13 2HB GLN 13 11.632 9.836 2.438 71 HG2 GLN 13 1HG GLN 13 10.387 11.350 3.929 72 HG3 GLN 13 2HG GLN 13 11.869 11.860 4.713 73 HE21 GLN 13 1HE2 GLN 13 10.604 13.886 3.915 74 HE22 GLN 13 2HE2 GLN 13 11.146 14.568 2.418 75 H TRP 14 H TRP 14 13.316 7.873 2.576 76 HA TRP 14 HA TRP 14 11.239 5.891 2.278 77 HB2 TRP 14 1HB TRP 14 13.906 6.139 0.876 78 HB3 TRP 14 2HB TRP 14 12.579 5.088 0.422 79 HD1 TRP 14 HD TRP 14 12.748 8.955 1.077 80 HE1 TRP 14 1HE TRP 14 11.530 10.264 -0.864 81 HE3 TRP 14 3HE TRP 14 11.455 4.833 -1.604 82 HZ2 TRP 14 2HZ TRP 14 10.192 9.448 -3.248 83 HZ3 TRP 14 3HZ TRP 14 10.194 5.176 -3.727 84 HH2 TRP 14 HH TRP 14 9.563 7.387 -4.559 85 H GLN 15 H GLN 15 14.793 5.983 3.071 86 HA GLN 15 HA GLN 15 15.112 3.366 3.656 87 HB2 GLN 15 1HB GLN 15 17.051 4.728 3.610 88 HB3 GLN 15 2HB GLN 15 16.394 5.880 4.754 89 HG2 GLN 15 1HG GLN 15 17.144 4.690 6.548 90 HG3 GLN 15 2HG GLN 15 16.523 3.180 5.912 91 HE21 GLN 15 1HE2 GLN 15 19.200 5.424 5.957 92 HE22 GLN 15 2HE2 GLN 15 20.422 4.365 5.336 93 H THR 16 H THR 16 14.061 6.010 5.908 94 HA THR 16 HA THR 16 13.834 4.427 8.188 95 HB THR 16 HB THR 16 13.834 6.931 8.111 96 HG1 THR 16 1HG THR 16 12.563 6.761 9.929 97 HG21 THR 16 1HG2 THR 16 10.894 6.854 7.415 98 HG22 THR 16 2HG2 THR 16 12.054 8.193 7.247 99 HG23 THR 16 3HG2 THR 16 12.067 6.853 6.076 100 H ASP 17 H ASP 17 11.899 4.497 5.281 101 HA ASP 17 HA ASP 17 9.700 3.250 6.667 102 HB2 ASP 17 1HB ASP 17 10.161 4.546 4.027 103 HB3 ASP 17 2HB ASP 17 9.107 3.147 3.955 104 H GLU 18 H GLU 18 12.648 2.468 5.059 105 HA GLU 18 HA GLU 18 11.703 -0.003 3.959 106 HB2 GLU 18 1HB GLU 18 13.491 1.407 2.868 107 HB3 GLU 18 2HB GLU 18 14.555 1.048 4.213 108 HG2 GLU 18 1HG GLU 18 14.836 -1.186 3.591 109 HG3 GLU 18 2HG GLU 18 13.255 -1.293 2.842 110 H GLU 19 H GLU 19 12.809 1.191 7.002 111 HA GLU 19 HA GLU 19 13.832 -1.390 7.793 112 HB2 GLU 19 1HB GLU 19 14.765 -0.309 9.665 113 HB3 GLU 19 2HB GLU 19 14.875 0.913 8.415 114 HG2 GLU 19 1HG GLU 19 12.754 1.952 9.234 115 HG3 GLU 19 2HG GLU 19 12.627 0.722 10.476 116 H GLY 20 H GLY 20 11.170 0.932 8.553 117 HA2 GLY 20 1HA GLY 20 9.980 -0.460 10.646 118 HA3 GLY 20 2HA GLY 20 9.175 0.639 9.542 119 H VAL 21 H VAL 21 10.350 -1.385 7.326 120 HA VAL 21 HA VAL 21 7.909 -2.931 7.261 121 HB VAL 21 HB VAL 21 8.634 -1.800 5.265 122 HG11 VAL 21 1HG1 VAL 21 11.250 -2.908 6.001 123 HG12 VAL 21 2HG1 VAL 21 10.855 -3.113 4.278 124 HG13 VAL 21 3HG1 VAL 21 10.843 -1.489 5.007 125 HG21 VAL 21 1HG2 VAL 21 7.869 -4.440 5.401 126 HG22 VAL 21 2HG2 VAL 21 7.955 -3.464 3.914 127 HG23 VAL 21 3HG2 VAL 21 9.316 -4.517 4.368 128 H ARG 22 H ARG 22 11.303 -3.270 8.136 129 HA ARG 22 HA ARG 22 10.971 -6.149 8.150 130 HB2 ARG 22 1HB ARG 22 13.522 -6.039 8.699 131 HB3 ARG 22 2HB ARG 22 13.023 -5.605 7.077 132 HG2 ARG 22 1HG ARG 22 13.133 -3.215 7.608 133 HG3 ARG 22 2HG ARG 22 13.406 -3.554 9.305 134 HD2 ARG 22 1HD ARG 22 15.632 -3.430 8.828 135 HD3 ARG 22 2HD ARG 22 15.453 -5.006 8.084 136 HE ARG 22 HE ARG 22 14.732 -2.794 6.299 137 HH11 ARG 22 2HH2 ARG 22 17.362 -4.812 7.480 138 HH12 ARG 22 1HH2 ARG 22 18.364 -4.540 6.093 139 HH21 ARG 22 2HH1 ARG 22 16.053 -2.436 4.469 140 HH22 ARG 22 1HH1 ARG 22 17.614 -3.179 4.369 141 H THR 23 H THR 23 11.373 -3.263 10.175 142 HA THR 23 HA THR 23 11.862 -4.838 12.567 143 HB THR 23 HB THR 23 12.194 -2.642 13.585 144 HG1 THR 23 1HG THR 23 10.288 -1.696 12.508 145 HG21 THR 23 1HG2 THR 23 13.183 -1.697 10.989 146 HG22 THR 23 2HG2 THR 23 14.113 -2.167 12.432 147 HG23 THR 23 3HG2 THR 23 13.620 -3.402 11.249 148 H GLY 24 H GLY 24 9.283 -2.692 11.213 149 HA2 GLY 24 1HA GLY 24 7.018 -3.584 11.464 150 HA3 GLY 24 2HA GLY 24 7.428 -3.992 13.119 151 H LYS 25 H LYS 25 7.421 -1.141 10.862 152 HA LYS 25 HA LYS 25 5.747 0.399 12.415 153 HB2 LYS 25 1HB LYS 25 7.373 2.023 13.409 154 HB3 LYS 25 2HB LYS 25 7.340 0.452 14.183 155 HG2 LYS 25 1HG LYS 25 9.632 0.665 13.949 156 HG3 LYS 25 2HG LYS 25 9.286 -0.081 12.402 157 HD2 LYS 25 1HD LYS 25 9.470 1.963 11.217 158 HD3 LYS 25 2HD LYS 25 9.175 2.936 12.644 159 HE2 LYS 25 1HE LYS 25 11.632 1.168 12.560 160 HE3 LYS 25 2HE LYS 25 11.643 2.679 11.673 161 HZ1 LYS 25 1HZ LYS 25 10.744 3.578 13.919 162 HZ2 LYS 25 2HZ LYS 25 11.472 2.252 14.535 163 HZ3 LYS 25 3HZ LYS 25 12.346 3.350 13.700 164 H CYS 26 H CYS 26 6.105 -0.294 9.700 165 HA CYS 26 HA CYS 26 7.158 2.178 8.551 166 HB2 CYS 26 1HB CYS 26 8.208 0.279 7.564 167 HB3 CYS 26 2HB CYS 26 6.686 -0.567 7.366 168 HG CYS 26 HG CYS 26 7.365 2.396 6.060 169 H SER 27 H SER 27 5.091 3.174 9.523 170 HA SER 27 HA SER 27 2.933 2.754 7.612 171 HB2 SER 27 1HB SER 27 1.274 3.018 9.368 172 HB3 SER 27 2HB SER 27 2.377 1.741 9.839 173 HG SER 27 HG SER 27 2.706 4.482 10.701 174 H PHE 28 H PHE 28 1.678 4.698 7.111 175 HA PHE 28 HA PHE 28 2.725 7.176 8.220 176 HB2 PHE 28 1HB PHE 28 2.453 7.750 5.512 177 HB3 PHE 28 2HB PHE 28 3.985 7.352 6.264 178 HD1 PHE 28 2HD PHE 28 4.603 4.826 6.347 179 HD2 PHE 28 1HD PHE 28 1.662 6.449 3.754 180 HE1 PHE 28 2HE PHE 28 4.820 2.824 4.848 181 HE2 PHE 28 1HE PHE 28 1.879 4.448 2.255 182 HZ PHE 28 HZ PHE 28 3.455 2.659 2.820 183 HA PRO 29 HA PRO 29 -1.380 8.474 7.748 184 HB2 PRO 29 1HB PRO 29 -1.179 11.149 7.226 185 HB3 PRO 29 2HB PRO 29 -0.997 10.469 8.831 186 HG2 PRO 29 1HG PRO 29 1.090 11.495 7.005 187 HG3 PRO 29 2HG PRO 29 1.183 11.216 8.732 188 HD2 PRO 29 1HD PRO 29 2.288 9.564 6.664 189 HD3 PRO 29 2HD PRO 29 2.281 9.226 8.383 190 H VAL 30 H VAL 30 -2.710 7.684 6.251 191 HA VAL 30 HA VAL 30 -2.600 9.056 3.688 192 HB VAL 30 HB VAL 30 -2.296 7.167 2.397 193 HG11 VAL 30 1HG1 VAL 30 -0.557 6.695 4.843 194 HG12 VAL 30 2HG1 VAL 30 -0.256 6.056 3.209 195 HG13 VAL 30 3HG1 VAL 30 -0.205 7.811 3.502 196 HG21 VAL 30 1HG2 VAL 30 -2.524 4.874 3.112 197 HG22 VAL 30 2HG2 VAL 30 -2.708 5.373 4.810 198 HG23 VAL 30 3HG2 VAL 30 -3.972 5.774 3.623 199 H LYS 31 H LYS 31 -4.573 8.264 2.304 200 HA LYS 31 HA LYS 31 -6.809 7.867 4.170 201 HB2 LYS 31 1HB LYS 31 -6.527 9.653 1.755 202 HB3 LYS 31 2HB LYS 31 -8.103 9.128 2.312 203 HG2 LYS 31 1HG LYS 31 -8.066 10.554 4.088 204 HG3 LYS 31 2HG LYS 31 -6.453 10.054 4.556 205 HD2 LYS 31 1HD LYS 31 -6.188 12.345 3.991 206 HD3 LYS 31 2HD LYS 31 -5.595 11.498 2.576 207 HE2 LYS 31 1HE LYS 31 -7.836 11.778 1.479 208 HE3 LYS 31 2HE LYS 31 -8.412 12.644 2.889 209 HZ1 LYS 31 1HZ LYS 31 -7.675 14.376 1.710 210 HZ2 LYS 31 2HZ LYS 31 -6.222 14.000 2.355 211 HZ3 LYS 31 3HZ LYS 31 -6.593 13.515 0.841 212 H TYR 32 H TYR 32 -8.502 6.453 3.522 213 HA TYR 32 HA TYR 32 -7.617 4.534 1.504 214 HB2 TYR 32 1HB TYR 32 -8.243 3.906 3.911 215 HB3 TYR 32 2HB TYR 32 -9.843 4.565 3.638 216 HD1 TYR 32 2HD TYR 32 -8.132 2.687 0.977 217 HD2 TYR 32 1HD TYR 32 -10.925 2.451 4.209 218 HE1 TYR 32 2HE TYR 32 -8.926 0.424 0.135 219 HE2 TYR 32 1HE TYR 32 -11.709 0.188 3.356 220 HH TYR 32 HH TYR 32 -10.151 -1.706 1.582 221 H LEU 33 H LEU 33 -8.333 4.991 -0.530 222 HA LEU 33 HA LEU 33 -10.736 6.469 -0.933 223 HB2 LEU 33 1HB LEU 33 -8.923 5.010 -2.861 224 HB3 LEU 33 2HB LEU 33 -10.247 6.063 -3.321 225 HG LEU 33 HG LEU 33 -7.747 6.881 -1.816 226 HD11 LEU 33 1HD1 LEU 33 -8.516 7.952 -4.502 227 HD12 LEU 33 2HD1 LEU 33 -6.909 7.761 -3.759 228 HD13 LEU 33 3HD1 LEU 33 -7.771 6.339 -4.393 229 HD21 LEU 33 1HD2 LEU 33 -9.646 8.180 -1.032 230 HD22 LEU 33 2HD2 LEU 33 -8.573 9.187 -2.033 231 HD23 LEU 33 3HD2 LEU 33 -10.100 8.570 -2.708 232 H GLY 34 H GLY 34 -9.744 3.030 -0.985 233 HA2 GLY 34 1HA GLY 34 -11.654 1.586 -0.264 234 HA3 GLY 34 2HA GLY 34 -12.552 2.314 -1.582 235 H HIS 35 H HIS 35 -12.613 -0.212 -2.002 236 HA HIS 35 HA HIS 35 -10.305 -0.843 -3.695 237 HB2 HIS 35 1HB HIS 35 -11.187 -3.270 -3.291 238 HB3 HIS 35 2HB HIS 35 -10.164 -2.483 -2.105 239 HD1 HIS 35 1HD HIS 35 -11.000 -3.418 0.075 240 HD2 HIS 35 2HD HIS 35 -14.117 -2.076 -2.391 241 HE1 HIS 35 1HE HIS 35 -13.135 -3.599 1.460 242 H VAL 36 H VAL 36 -10.690 -1.487 -5.822 243 HA VAL 36 HA VAL 36 -13.514 -1.617 -6.606 244 HB VAL 36 HB VAL 36 -13.088 -0.268 -8.520 245 HG11 VAL 36 1HG1 VAL 36 -13.670 1.078 -6.670 246 HG12 VAL 36 2HG1 VAL 36 -12.057 0.918 -5.936 247 HG13 VAL 36 3HG1 VAL 36 -12.271 1.892 -7.411 248 HG21 VAL 36 1HG2 VAL 36 -10.385 -1.051 -8.151 249 HG22 VAL 36 2HG2 VAL 36 -11.083 -0.093 -9.479 250 HG23 VAL 36 3HG2 VAL 36 -10.433 0.725 -8.038 251 H GLU 37 H GLU 37 -13.712 -2.640 -8.881 252 HA GLU 37 HA GLU 37 -11.959 -4.940 -8.845 253 HB2 GLU 37 1HB GLU 37 -14.755 -4.439 -9.536 254 HB3 GLU 37 2HB GLU 37 -13.941 -5.282 -10.840 255 HG2 GLU 37 1HG GLU 37 -14.238 -7.191 -9.645 256 HG3 GLU 37 2HG GLU 37 -12.995 -6.604 -8.557 257 H VAL 38 H VAL 38 -10.675 -5.578 -10.631 258 HA VAL 38 HA VAL 38 -10.423 -3.504 -12.697 259 HB VAL 38 HB VAL 38 -8.105 -4.228 -12.903 260 HG11 VAL 38 1HG1 VAL 38 -8.831 -3.614 -10.018 261 HG12 VAL 38 2HG1 VAL 38 -7.263 -3.317 -10.806 262 HG13 VAL 38 3HG1 VAL 38 -8.706 -2.415 -11.327 263 HG21 VAL 38 1HG2 VAL 38 -9.036 -6.486 -11.354 264 HG22 VAL 38 2HG2 VAL 38 -7.506 -6.272 -12.238 265 HG23 VAL 38 3HG2 VAL 38 -7.646 -5.716 -10.552 266 H ASP 39 H ASP 39 -8.979 -4.874 -14.609 267 HA ASP 39 HA ASP 39 -10.628 -7.207 -15.154 268 HB2 ASP 39 1HB ASP 39 -11.097 -4.847 -16.416 269 HB3 ASP 39 2HB ASP 39 -9.805 -5.435 -17.443 270 H GLU 40 H GLU 40 -7.750 -5.163 -15.995 271 HA GLU 40 HA GLU 40 -6.475 -7.345 -17.313 272 HB2 GLU 40 1HB GLU 40 -5.255 -4.679 -16.485 273 HB3 GLU 40 2HB GLU 40 -4.662 -5.770 -17.721 274 HG2 GLU 40 1HG GLU 40 -7.497 -4.801 -18.000 275 HG3 GLU 40 2HG GLU 40 -6.224 -3.633 -18.296 276 H SER 41 H SER 41 -6.244 -5.613 -14.165 277 HA SER 41 HA SER 41 -5.516 -6.349 -12.233 278 HB2 SER 41 1HB SER 41 -4.293 -8.826 -13.498 279 HB3 SER 41 2HB SER 41 -4.792 -8.603 -11.833 280 HG SER 41 HG SER 41 -6.877 -8.181 -13.644 281 H ARG 42 H ARG 42 -3.810 -5.504 -14.938 282 HA ARG 42 HA ARG 42 -1.554 -4.795 -13.383 283 HB2 ARG 42 1HB ARG 42 0.072 -5.881 -15.101 284 HB3 ARG 42 2HB ARG 42 -0.654 -6.942 -13.910 285 HG2 ARG 42 1HG ARG 42 -2.446 -6.761 -16.178 286 HG3 ARG 42 2HG ARG 42 -0.835 -7.108 -16.775 287 HD2 ARG 42 1HD ARG 42 -1.686 -8.677 -14.368 288 HD3 ARG 42 2HD ARG 42 -2.554 -9.031 -15.848 289 HE ARG 42 HE ARG 42 0.171 -9.766 -15.260 290 HH11 ARG 42 2HH2 ARG 42 -1.882 -8.702 -17.913 291 HH12 ARG 42 1HH2 ARG 42 -0.912 -9.456 -19.134 292 HH21 ARG 42 2HH1 ARG 42 1.450 -10.761 -16.871 293 HH22 ARG 42 1HH1 ARG 42 0.996 -10.635 -18.538 294 H GLY 43 H GLY 43 -1.195 -2.700 -14.043 295 HA2 GLY 43 1HA GLY 43 -0.510 -1.857 -16.542 296 HA3 GLY 43 2HA GLY 43 -2.260 -1.754 -16.538 297 H MET 44 H MET 44 0.401 0.105 -16.132 298 HA MET 44 HA MET 44 0.030 1.383 -13.718 299 HB2 MET 44 1HB MET 44 1.144 2.281 -16.424 300 HB3 MET 44 2HB MET 44 1.211 3.325 -15.018 301 HG2 MET 44 1HG MET 44 2.832 2.046 -13.963 302 HG3 MET 44 2HG MET 44 2.200 0.533 -14.583 303 HE1 MET 44 1HE MET 44 1.925 0.453 -17.310 304 HE2 MET 44 2HE MET 44 3.455 0.419 -18.218 305 HE3 MET 44 3HE MET 44 3.223 -0.664 -16.825 306 H HIS 45 H HIS 45 -1.806 1.530 -16.708 307 HA HIS 45 HA HIS 45 -2.972 4.080 -16.063 308 HB2 HIS 45 1HB HIS 45 -4.248 3.761 -18.119 309 HB3 HIS 45 2HB HIS 45 -2.531 3.527 -18.384 310 HD1 HIS 45 1HD HIS 45 -1.716 1.152 -19.054 311 HD2 HIS 45 2HD HIS 45 -5.849 1.420 -18.387 312 HE1 HIS 45 1HE HIS 45 -2.727 -1.010 -19.956 313 H ILE 46 H ILE 46 -3.329 0.876 -15.007 314 HA ILE 46 HA ILE 46 -6.193 0.950 -14.741 315 HB ILE 46 HB ILE 46 -4.242 -0.988 -13.508 316 HG12 ILE 46 1HG1 ILE 46 -3.923 -0.663 -16.009 317 HG13 ILE 46 2HG1 ILE 46 -4.243 -2.296 -15.458 318 HG21 ILE 46 1HG2 ILE 46 -6.061 -1.947 -12.683 319 HG22 ILE 46 2HG2 ILE 46 -7.091 -0.714 -13.448 320 HG23 ILE 46 3HG2 ILE 46 -6.668 -2.196 -14.338 321 HD11 ILE 46 1HD1 ILE 46 -5.599 -1.157 -17.507 322 HD12 ILE 46 2HD1 ILE 46 -6.335 -2.374 -16.437 323 HD13 ILE 46 3HD1 ILE 46 -6.644 -0.643 -16.161 324 H CYS 47 H CYS 47 -3.281 1.242 -12.615 325 HA CYS 47 HA CYS 47 -4.467 1.401 -10.202 326 HB2 CYS 47 1HB CYS 47 -2.112 2.974 -11.281 327 HB3 CYS 47 2HB CYS 47 -2.587 3.008 -9.595 328 HG CYS 47 HG CYS 47 -2.358 0.146 -11.185 329 H GLU 48 H GLU 48 -3.846 4.171 -12.489 330 HA GLU 48 HA GLU 48 -5.129 6.072 -10.989 331 HB2 GLU 48 1HB GLU 48 -4.515 5.778 -13.934 332 HB3 GLU 48 2HB GLU 48 -5.477 7.140 -13.393 333 HG2 GLU 48 1HG GLU 48 -3.709 8.132 -12.269 334 HG3 GLU 48 2HG GLU 48 -2.996 6.600 -11.807 335 H ASP 49 H ASP 49 -6.429 4.212 -13.838 336 HA ASP 49 HA ASP 49 -8.903 5.173 -13.927 337 HB2 ASP 49 1HB ASP 49 -7.570 2.712 -14.675 338 HB3 ASP 49 2HB ASP 49 -9.167 2.308 -14.077 339 H ALA 50 H ALA 50 -7.435 3.156 -11.410 340 HA ALA 50 HA ALA 50 -9.837 2.200 -10.259 341 HB1 ALA 50 1HB ALA 50 -8.408 1.084 -8.891 342 HB2 ALA 50 2HB ALA 50 -7.156 1.653 -10.022 343 HB3 ALA 50 3HB ALA 50 -7.468 2.548 -8.516 344 H VAL 51 H VAL 51 -7.522 4.840 -9.303 345 HA VAL 51 HA VAL 51 -8.924 5.810 -7.171 346 HB VAL 51 HB VAL 51 -7.487 7.545 -9.173 347 HG11 VAL 51 1HG1 VAL 51 -8.688 8.377 -6.983 348 HG12 VAL 51 2HG1 VAL 51 -7.232 7.732 -6.186 349 HG13 VAL 51 3HG1 VAL 51 -7.080 9.001 -7.425 350 HG21 VAL 51 1HG2 VAL 51 -5.719 6.176 -9.010 351 HG22 VAL 51 2HG2 VAL 51 -5.577 6.740 -7.328 352 HG23 VAL 51 3HG2 VAL 51 -6.461 5.239 -7.691 353 H LYS 52 H LYS 52 -9.113 7.078 -10.578 354 HA LYS 52 HA LYS 52 -11.076 8.878 -10.295 355 HB2 LYS 52 1HB LYS 52 -10.589 6.907 -12.538 356 HB3 LYS 52 2HB LYS 52 -11.762 8.204 -12.656 357 HG2 LYS 52 1HG LYS 52 -10.099 9.635 -13.217 358 HG3 LYS 52 2HG LYS 52 -9.382 9.404 -11.635 359 HD2 LYS 52 1HD LYS 52 -7.767 7.965 -12.422 360 HD3 LYS 52 2HD LYS 52 -8.863 7.177 -13.540 361 HE2 LYS 52 1HE LYS 52 -7.840 10.007 -14.022 362 HE3 LYS 52 2HE LYS 52 -6.949 8.599 -14.564 363 HZ1 LYS 52 1HZ LYS 52 -8.597 9.624 -16.147 364 HZ2 LYS 52 2HZ LYS 52 -8.662 8.001 -15.978 365 HZ3 LYS 52 3HZ LYS 52 -9.774 8.944 -15.241 366 H ARG 53 H ARG 53 -11.503 5.301 -10.533 367 HA ARG 53 HA ARG 53 -14.210 5.257 -10.664 368 HB2 ARG 53 1HB ARG 53 -12.156 3.385 -10.330 369 HB3 ARG 53 2HB ARG 53 -13.081 3.191 -8.854 370 HG2 ARG 53 1HG ARG 53 -15.184 2.982 -10.265 371 HG3 ARG 53 2HG ARG 53 -14.180 3.033 -11.700 372 HD2 ARG 53 1HD ARG 53 -12.915 1.065 -10.183 373 HD3 ARG 53 2HD ARG 53 -14.600 0.812 -9.774 374 HE ARG 53 HE ARG 53 -14.183 1.156 -12.647 375 HH11 ARG 53 2HH2 ARG 53 -14.137 -1.168 -10.005 376 HH12 ARG 53 1HH2 ARG 53 -14.400 -2.536 -11.034 377 HH21 ARG 53 2HH1 ARG 53 -14.530 -0.649 -14.005 378 HH22 ARG 53 1HH1 ARG 53 -14.625 -2.239 -13.325 379 H LEU 54 H LEU 54 -12.107 5.168 -7.694 380 HA LEU 54 HA LEU 54 -14.317 5.275 -5.925 381 HB2 LEU 54 1HB LEU 54 -11.414 5.917 -5.397 382 HB3 LEU 54 2HB LEU 54 -12.641 5.544 -4.203 383 HG LEU 54 HG LEU 54 -11.976 3.541 -6.347 384 HD11 LEU 54 1HD1 LEU 54 -9.903 4.484 -5.033 385 HD12 LEU 54 2HD1 LEU 54 -10.523 3.441 -3.731 386 HD13 LEU 54 3HD1 LEU 54 -10.096 2.736 -5.308 387 HD21 LEU 54 1HD2 LEU 54 -13.569 2.432 -5.262 388 HD22 LEU 54 2HD2 LEU 54 -12.430 2.280 -3.902 389 HD23 LEU 54 3HD2 LEU 54 -13.598 3.624 -3.940 390 H LYS 55 H LYS 55 -12.854 7.577 -7.994 391 HA LYS 55 HA LYS 55 -13.458 9.814 -6.250 392 HB2 LYS 55 1HB LYS 55 -11.677 9.314 -8.451 393 HB3 LYS 55 2HB LYS 55 -12.711 10.669 -8.857 394 HG2 LYS 55 1HG LYS 55 -11.984 11.959 -7.015 395 HG3 LYS 55 2HG LYS 55 -11.475 10.555 -6.097 396 HD2 LYS 55 1HD LYS 55 -9.832 10.342 -8.303 397 HD3 LYS 55 2HD LYS 55 -10.006 12.083 -8.198 398 HE2 LYS 55 1HE LYS 55 -9.596 11.173 -5.519 399 HE3 LYS 55 2HE LYS 55 -8.442 10.299 -6.506 400 HZ1 LYS 55 1HZ LYS 55 -7.305 12.192 -6.217 401 HZ2 LYS 55 2HZ LYS 55 -8.164 12.702 -7.509 402 HZ3 LYS 55 3HZ LYS 55 -8.625 13.129 -6.002 403 H ALA 56 H ALA 56 -14.957 7.829 -8.674 404 HA ALA 56 HA ALA 56 -17.019 9.891 -9.051 405 HB1 ALA 56 1HB ALA 56 -17.412 7.939 -10.991 406 HB2 ALA 56 2HB ALA 56 -16.589 9.499 -11.233 407 HB3 ALA 56 3HB ALA 56 -15.639 8.038 -10.868 408 H THR 57 H THR 57 -16.244 7.278 -7.176 409 HA THR 57 HA THR 57 -18.616 5.718 -7.426 410 HB THR 57 HB THR 57 -16.191 5.181 -6.468 411 HG1 THR 57 1HG THR 57 -18.143 3.786 -6.542 412 HG21 THR 57 1HG2 THR 57 -17.039 6.993 -4.489 413 HG22 THR 57 2HG2 THR 57 -17.412 5.400 -3.787 414 HG23 THR 57 3HG2 THR 57 -15.750 5.781 -4.298 415 H GLY 58 H GLY 58 -17.755 8.700 -5.761 416 HA2 GLY 58 1HA GLY 58 -19.214 10.188 -4.832 417 HA3 GLY 58 2HA GLY 58 -20.514 9.021 -4.959 418 H LYS 59 H LYS 59 -17.258 8.911 -3.339 419 HA LYS 59 HA LYS 59 -18.685 8.465 -0.815 420 HB2 LYS 59 1HB LYS 59 -17.598 6.392 -2.070 421 HB3 LYS 59 2HB LYS 59 -16.123 7.012 -1.357 422 HG2 LYS 59 1HG LYS 59 -16.712 6.294 0.721 423 HG3 LYS 59 2HG LYS 59 -18.299 7.029 0.606 424 HD2 LYS 59 1HD LYS 59 -19.027 4.852 0.607 425 HD3 LYS 59 2HD LYS 59 -18.663 4.932 -1.105 426 HE2 LYS 59 1HE LYS 59 -16.791 3.592 -0.915 427 HE3 LYS 59 2HE LYS 59 -16.329 4.269 0.634 428 HZ1 LYS 59 1HZ LYS 59 -17.350 2.623 1.653 429 HZ2 LYS 59 2HZ LYS 59 -18.751 2.855 0.847 430 HZ3 LYS 59 3HZ LYS 59 -17.593 1.897 0.210 431 H LYS 60 H LYS 60 -15.791 8.076 0.287 432 HA LYS 60 HA LYS 60 -14.513 10.566 -0.149 433 HB2 LYS 60 1HB LYS 60 -14.865 11.437 2.189 434 HB3 LYS 60 2HB LYS 60 -16.243 11.573 1.115 435 HG2 LYS 60 1HG LYS 60 -16.105 9.027 2.673 436 HG3 LYS 60 2HG LYS 60 -16.351 10.471 3.635 437 HD2 LYS 60 1HD LYS 60 -18.253 11.100 2.037 438 HD3 LYS 60 2HD LYS 60 -18.070 9.521 1.299 439 HE2 LYS 60 1HE LYS 60 -18.242 9.370 4.246 440 HE3 LYS 60 2HE LYS 60 -19.657 10.120 3.534 441 HZ1 LYS 60 1HZ LYS 60 -20.139 7.908 3.417 442 HZ2 LYS 60 2HZ LYS 60 -19.514 8.143 1.927 443 HZ3 LYS 60 3HZ LYS 60 -18.608 7.441 3.090 444 H ALA 61 H ALA 61 -12.431 10.622 0.856 445 HA ALA 61 HA ALA 61 -11.432 8.013 1.425 446 HB1 ALA 61 1HB ALA 61 -9.463 8.971 0.866 447 HB2 ALA 61 2HB ALA 61 -10.426 10.398 0.415 448 HB3 ALA 61 3HB ALA 61 -9.685 10.300 2.030 449 H VAL 62 H VAL 62 -10.769 7.139 3.397 450 HA VAL 62 HA VAL 62 -11.836 8.530 5.722 451 HB VAL 62 HB VAL 62 -11.026 5.706 5.087 452 HG11 VAL 62 1HG1 VAL 62 -11.409 6.944 7.822 453 HG12 VAL 62 2HG1 VAL 62 -11.655 5.208 7.518 454 HG13 VAL 62 3HG1 VAL 62 -10.060 5.944 7.231 455 HG21 VAL 62 1HG2 VAL 62 -13.387 6.887 4.736 456 HG22 VAL 62 2HG2 VAL 62 -13.252 5.195 5.271 457 HG23 VAL 62 3HG2 VAL 62 -13.568 6.481 6.460 458 H LYS 63 H LYS 63 -10.532 8.667 7.720 459 HA LYS 63 HA LYS 63 -7.755 9.230 7.018 460 HB2 LYS 63 1HB LYS 63 -9.560 10.152 9.262 461 HB3 LYS 63 2HB LYS 63 -7.828 10.416 9.286 462 HG2 LYS 63 1HG LYS 63 -8.780 11.180 6.675 463 HG3 LYS 63 2HG LYS 63 -9.851 11.907 7.857 464 HD2 LYS 63 1HD LYS 63 -8.098 13.501 7.585 465 HD3 LYS 63 2HD LYS 63 -7.730 12.701 9.100 466 HE2 LYS 63 1HE LYS 63 -6.265 11.074 7.656 467 HE3 LYS 63 2HE LYS 63 -6.408 12.282 6.394 468 HZ1 LYS 63 1HZ LYS 63 -4.620 12.319 8.402 469 HZ2 LYS 63 2HZ LYS 63 -4.998 13.593 7.454 470 HZ3 LYS 63 3HZ LYS 63 -5.723 13.412 8.905 471 H ALA 64 H ALA 64 -6.579 7.357 7.137 472 HA ALA 64 HA ALA 64 -6.491 6.111 9.766 473 HB1 ALA 64 1HB ALA 64 -6.326 3.967 7.950 474 HB2 ALA 64 2HB ALA 64 -7.662 4.320 9.072 475 HB3 ALA 64 3HB ALA 64 -7.718 4.932 7.402 476 H VAL 65 H VAL 65 -4.536 4.535 9.831 477 HA VAL 65 HA VAL 65 -2.375 5.846 8.352 478 HB VAL 65 HB VAL 65 -2.436 4.243 10.914 479 HG11 VAL 65 1HG1 VAL 65 0.064 5.629 10.346 480 HG12 VAL 65 2HG1 VAL 65 -0.221 3.940 10.831 481 HG13 VAL 65 3HG1 VAL 65 -0.307 4.400 9.113 482 HG21 VAL 65 1HG2 VAL 65 -1.505 7.093 10.615 483 HG22 VAL 65 2HG2 VAL 65 -3.237 6.718 10.783 484 HG23 VAL 65 3HG2 VAL 65 -2.094 6.241 12.062 485 H LEU 66 H LEU 66 -1.382 4.779 6.718 486 HA LEU 66 HA LEU 66 -2.158 2.029 6.267 487 HB2 LEU 66 1HB LEU 66 -2.327 3.335 4.357 488 HB3 LEU 66 2HB LEU 66 -0.822 4.179 4.665 489 HG LEU 66 HG LEU 66 0.483 2.272 4.003 490 HD11 LEU 66 1HD1 LEU 66 -0.300 0.127 3.578 491 HD12 LEU 66 2HD1 LEU 66 -1.244 0.625 5.002 492 HD13 LEU 66 3HD1 LEU 66 -1.985 0.666 3.384 493 HD21 LEU 66 1HD2 LEU 66 -1.766 2.684 2.013 494 HD22 LEU 66 2HD2 LEU 66 -0.355 3.749 2.224 495 HD23 LEU 66 3HD2 LEU 66 -0.130 2.076 1.660 496 H TRP 67 H TRP 67 -1.041 0.396 7.178 497 HA TRP 67 HA TRP 67 1.730 0.915 7.937 498 HB2 TRP 67 1HB TRP 67 -0.174 -1.308 8.695 499 HB3 TRP 67 2HB TRP 67 1.485 -1.176 9.242 500 HD1 TRP 67 HD TRP 67 -1.796 0.936 9.481 501 HE1 TRP 67 1HE TRP 67 -1.878 2.260 11.762 502 HE3 TRP 67 3HE TRP 67 2.813 -0.495 11.083 503 HZ2 TRP 67 2HZ TRP 67 -0.048 2.553 13.932 504 HZ3 TRP 67 3HZ TRP 67 3.589 0.355 13.294 505 HH2 TRP 67 HH TRP 67 2.241 1.829 14.702 506 H VAL 68 H VAL 68 3.449 -0.372 7.122 507 HA VAL 68 HA VAL 68 2.690 -2.228 4.979 508 HB VAL 68 HB VAL 68 5.050 -0.353 4.863 509 HG11 VAL 68 1HG1 VAL 68 5.544 -1.931 3.297 510 HG12 VAL 68 2HG1 VAL 68 3.844 -2.409 3.076 511 HG13 VAL 68 3HG1 VAL 68 4.459 -0.928 2.304 512 HG21 VAL 68 1HG2 VAL 68 2.207 0.198 4.342 513 HG22 VAL 68 2HG2 VAL 68 3.571 1.317 4.576 514 HG23 VAL 68 3HG2 VAL 68 3.281 0.589 2.978 515 H SER 69 H SER 69 3.575 -4.224 5.213 516 HA SER 69 HA SER 69 6.065 -4.406 6.665 517 HB2 SER 69 1HB SER 69 3.654 -6.124 7.398 518 HB3 SER 69 2HB SER 69 5.236 -6.176 8.150 519 HG SER 69 HG SER 69 3.345 -4.838 9.147 520 H ALA 70 H ALA 70 7.027 -6.687 6.428 521 HA ALA 70 HA ALA 70 7.022 -7.436 3.756 522 HB1 ALA 70 1HB ALA 70 8.517 -9.144 4.450 523 HB2 ALA 70 2HB ALA 70 8.765 -7.821 5.615 524 HB3 ALA 70 3HB ALA 70 7.788 -9.238 6.072 525 H ASP 71 H ASP 71 4.809 -8.165 6.361 526 HA ASP 71 HA ASP 71 3.900 -10.588 5.175 527 HB2 ASP 71 1HB ASP 71 3.759 -9.487 7.702 528 HB3 ASP 71 2HB ASP 71 2.149 -9.134 7.109 529 H GLY 72 H GLY 72 3.675 -7.375 4.306 530 HA2 GLY 72 1HA GLY 72 2.252 -7.036 2.315 531 HA3 GLY 72 2HA GLY 72 0.918 -7.657 3.266 532 H LEU 73 H LEU 73 -0.436 -5.929 3.608 533 HA LEU 73 HA LEU 73 0.811 -3.554 4.805 534 HB2 LEU 73 1HB LEU 73 -1.670 -3.330 3.161 535 HB3 LEU 73 2HB LEU 73 -0.461 -2.119 3.539 536 HG LEU 73 HG LEU 73 0.371 -4.433 1.839 537 HD11 LEU 73 1HD1 LEU 73 -1.945 -3.040 1.182 538 HD12 LEU 73 2HD1 LEU 73 -0.671 -2.255 0.218 539 HD13 LEU 73 3HD1 LEU 73 -0.932 -4.011 0.087 540 HD21 LEU 73 1HD2 LEU 73 1.090 -1.681 1.093 541 HD22 LEU 73 2HD2 LEU 73 1.627 -2.167 2.719 542 HD23 LEU 73 3HD2 LEU 73 2.108 -3.127 1.299 543 H ARG 74 H ARG 74 -1.087 -2.191 5.921 544 HA ARG 74 HA ARG 74 -3.131 -3.853 6.979 545 HB2 ARG 74 1HB ARG 74 -0.659 -3.206 8.558 546 HB3 ARG 74 2HB ARG 74 -2.179 -3.021 9.410 547 HG2 ARG 74 1HG ARG 74 -2.440 -5.478 8.029 548 HG3 ARG 74 2HG ARG 74 -0.788 -5.479 8.613 549 HD2 ARG 74 1HD ARG 74 -1.695 -4.832 10.921 550 HD3 ARG 74 2HD ARG 74 -3.311 -5.080 10.289 551 HE ARG 74 HE ARG 74 -2.974 -7.392 10.402 552 HH11 ARG 74 2HH2 ARG 74 0.146 -5.772 10.530 553 HH12 ARG 74 1HH2 ARG 74 1.030 -7.224 10.862 554 HH21 ARG 74 2HH1 ARG 74 -1.809 -9.309 10.840 555 HH22 ARG 74 1HH1 ARG 74 -0.089 -9.249 11.040 556 H VAL 75 H VAL 75 -4.709 -2.326 6.434 557 HA VAL 75 HA VAL 75 -4.218 0.466 6.903 558 HB VAL 75 HB VAL 75 -6.677 -1.030 5.970 559 HG11 VAL 75 1HG1 VAL 75 -5.993 1.928 5.940 560 HG12 VAL 75 2HG1 VAL 75 -7.350 1.198 5.049 561 HG13 VAL 75 3HG1 VAL 75 -7.316 1.132 6.827 562 HG21 VAL 75 1HG2 VAL 75 -4.192 -0.192 4.616 563 HG22 VAL 75 2HG2 VAL 75 -5.396 -1.420 4.157 564 HG23 VAL 75 3HG2 VAL 75 -5.690 0.296 3.787 565 H VAL 76 H VAL 76 -4.071 0.967 9.071 566 HA VAL 76 HA VAL 76 -6.014 -0.194 10.882 567 HB VAL 76 HB VAL 76 -3.468 1.353 11.100 568 HG11 VAL 76 1HG1 VAL 76 -5.680 1.320 13.150 569 HG12 VAL 76 2HG1 VAL 76 -3.973 1.418 13.645 570 HG13 VAL 76 3HG1 VAL 76 -4.670 2.679 12.600 571 HG21 VAL 76 1HG2 VAL 76 -3.864 -1.254 11.152 572 HG22 VAL 76 2HG2 VAL 76 -2.684 -0.491 12.245 573 HG23 VAL 76 3HG2 VAL 76 -4.297 -0.940 12.850 574 H ASP 77 H ASP 77 -7.371 1.161 12.281 575 HA ASP 77 HA ASP 77 -8.248 3.482 10.785 576 HB2 ASP 77 1HB ASP 77 -9.860 1.625 11.458 577 HB3 ASP 77 2HB ASP 77 -9.586 2.060 13.133 578 H GLU 78 H GLU 78 -7.107 5.308 11.517 579 HA GLU 78 HA GLU 78 -5.766 5.654 13.766 580 HB2 GLU 78 1HB GLU 78 -7.392 7.610 12.124 581 HB3 GLU 78 2HB GLU 78 -6.528 8.174 13.541 582 HG2 GLU 78 1HG GLU 78 -4.639 6.567 12.201 583 HG3 GLU 78 2HG GLU 78 -5.477 7.393 10.903 584 H LYS 79 H LYS 79 -9.290 5.597 13.444 585 HA LYS 79 HA LYS 79 -10.175 6.948 15.600 586 HB2 LYS 79 1HB LYS 79 -11.414 5.511 13.830 587 HB3 LYS 79 2HB LYS 79 -11.229 4.194 14.971 588 HG2 LYS 79 1HG LYS 79 -12.226 6.763 16.134 589 HG3 LYS 79 2HG LYS 79 -13.318 5.976 15.013 590 HD2 LYS 79 1HD LYS 79 -13.597 4.093 16.372 591 HD3 LYS 79 2HD LYS 79 -12.011 4.246 17.102 592 HE2 LYS 79 1HE LYS 79 -13.219 6.590 17.954 593 HE3 LYS 79 2HE LYS 79 -14.591 5.501 17.902 594 HZ1 LYS 79 1HZ LYS 79 -12.063 4.947 19.295 595 HZ2 LYS 79 2HZ LYS 79 -13.451 5.422 20.011 596 HZ3 LYS 79 3HZ LYS 79 -13.369 3.968 19.273 597 H THR 80 H THR 80 -9.696 3.365 15.860 598 HA THR 80 HA THR 80 -8.597 3.866 18.549 599 HB THR 80 HB THR 80 -10.983 2.874 18.348 600 HG1 THR 80 1HG THR 80 -8.668 1.485 19.490 601 HG21 THR 80 1HG2 THR 80 -10.818 0.298 18.079 602 HG22 THR 80 2HG2 THR 80 -10.786 1.245 16.573 603 HG23 THR 80 3HG2 THR 80 -9.272 0.595 17.248 604 H LYS 81 H LYS 81 -7.442 3.447 15.659 605 HA LYS 81 HA LYS 81 -5.574 2.569 14.870 606 HB2 LYS 81 1HB LYS 81 -5.230 2.124 17.786 607 HB3 LYS 81 2HB LYS 81 -4.218 1.151 16.738 608 HG2 LYS 81 1HG LYS 81 -4.481 4.188 16.530 609 HG3 LYS 81 2HG LYS 81 -3.185 3.369 17.379 610 HD2 LYS 81 1HD LYS 81 -2.797 2.096 15.110 611 HD3 LYS 81 2HD LYS 81 -3.773 3.366 14.399 612 HE2 LYS 81 1HE LYS 81 -1.989 4.808 15.992 613 HE3 LYS 81 2HE LYS 81 -0.995 3.480 15.427 614 HZ1 LYS 81 1HZ LYS 81 -0.803 4.804 13.657 615 HZ2 LYS 81 2HZ LYS 81 -2.229 4.153 13.197 616 HZ3 LYS 81 3HZ LYS 81 -2.195 5.614 13.926 617 H ASP 82 H ASP 82 -8.301 1.001 15.612 618 HA ASP 82 HA ASP 82 -7.750 -1.648 15.725 619 HB2 ASP 82 1HB ASP 82 -10.002 -0.024 15.291 620 HB3 ASP 82 2HB ASP 82 -9.941 -1.014 13.846 621 H LEU 83 H LEU 83 -8.773 -2.997 13.489 622 HA LEU 83 HA LEU 83 -6.861 -2.244 11.390 623 HB2 LEU 83 1HB LEU 83 -6.542 -4.404 12.714 624 HB3 LEU 83 2HB LEU 83 -7.970 -4.999 11.891 625 HG LEU 83 HG LEU 83 -5.596 -5.552 10.972 626 HD11 LEU 83 1HD1 LEU 83 -7.929 -4.670 9.261 627 HD12 LEU 83 2HD1 LEU 83 -6.506 -5.527 8.623 628 HD13 LEU 83 3HD1 LEU 83 -7.543 -6.309 9.839 629 HD21 LEU 83 1HD2 LEU 83 -4.812 -3.205 10.950 630 HD22 LEU 83 2HD2 LEU 83 -4.696 -3.994 9.359 631 HD23 LEU 83 3HD2 LEU 83 -6.011 -2.840 9.686 632 H ILE 84 H ILE 84 -7.694 -1.573 9.486 633 HA ILE 84 HA ILE 84 -10.566 -1.852 9.138 634 HB ILE 84 HB ILE 84 -8.546 -0.262 7.552 635 HG12 ILE 84 1HG1 ILE 84 -10.396 0.713 9.747 636 HG13 ILE 84 2HG1 ILE 84 -8.693 0.372 9.977 637 HG21 ILE 84 1HG2 ILE 84 -10.218 0.502 6.263 638 HG22 ILE 84 2HG2 ILE 84 -11.050 -0.987 6.771 639 HG23 ILE 84 3HG2 ILE 84 -11.382 0.548 7.609 640 HD11 ILE 84 1HD1 ILE 84 -9.502 2.195 7.709 641 HD12 ILE 84 2HD1 ILE 84 -9.495 2.829 9.372 642 HD13 ILE 84 3HD1 ILE 84 -7.998 2.180 8.661 643 H VAL 85 H VAL 85 -7.464 -2.546 7.398 644 HA VAL 85 HA VAL 85 -8.824 -4.791 6.137 645 HB VAL 85 HB VAL 85 -7.430 -2.539 4.690 646 HG11 VAL 85 1HG1 VAL 85 -8.233 -5.255 3.593 647 HG12 VAL 85 2HG1 VAL 85 -7.633 -3.879 2.636 648 HG13 VAL 85 3HG1 VAL 85 -6.570 -4.665 3.828 649 HG21 VAL 85 1HG2 VAL 85 -9.746 -3.131 3.335 650 HG22 VAL 85 2HG2 VAL 85 -10.218 -3.422 5.026 651 HG23 VAL 85 3HG2 VAL 85 -9.563 -1.838 4.545 652 H ASP 86 H ASP 86 -7.337 -6.463 5.424 653 HA ASP 86 HA ASP 86 -4.645 -6.052 6.453 654 HB2 ASP 86 1HB ASP 86 -5.521 -7.451 8.124 655 HB3 ASP 86 2HB ASP 86 -6.625 -8.252 7.024 656 H GLN 87 H GLN 87 -3.736 -5.846 4.326 657 HA GLN 87 HA GLN 87 -4.382 -7.974 2.463 658 HB2 GLN 87 1HB GLN 87 -4.614 -5.681 1.608 659 HB3 GLN 87 2HB GLN 87 -2.966 -5.302 2.069 660 HG2 GLN 87 1HG GLN 87 -2.959 -5.793 -0.306 661 HG3 GLN 87 2HG GLN 87 -2.157 -7.123 0.505 662 HE21 GLN 87 1HE2 GLN 87 -2.565 -8.718 -0.900 663 HE22 GLN 87 2HE2 GLN 87 -4.135 -9.333 -1.296 664 H THR 88 H THR 88 -2.749 -9.315 1.529 665 HA THR 88 HA THR 88 -0.210 -9.255 3.019 666 HB THR 88 HB THR 88 -1.343 -11.296 3.529 667 HG1 THR 88 1HG THR 88 0.006 -12.782 2.285 668 HG21 THR 88 1HG2 THR 88 -2.100 -11.297 0.568 669 HG22 THR 88 2HG2 THR 88 -2.189 -12.766 1.570 670 HG23 THR 88 3HG2 THR 88 -3.195 -11.353 1.970 671 H ILE 89 H ILE 89 1.727 -9.178 1.969 672 HA ILE 89 HA ILE 89 1.792 -8.065 -0.560 673 HB ILE 89 HB ILE 89 3.532 -8.246 1.398 674 HG12 ILE 89 1HG1 ILE 89 5.347 -7.709 -0.327 675 HG13 ILE 89 2HG1 ILE 89 4.128 -7.990 -1.555 676 HG21 ILE 89 1HG2 ILE 89 3.815 -10.696 1.173 677 HG22 ILE 89 2HG2 ILE 89 4.504 -10.443 -0.448 678 HG23 ILE 89 3HG2 ILE 89 5.338 -9.793 0.984 679 HD11 ILE 89 1HD1 ILE 89 2.856 -6.323 0.349 680 HD12 ILE 89 2HD1 ILE 89 4.499 -5.663 0.164 681 HD13 ILE 89 3HD1 ILE 89 3.449 -5.850 -1.261 682 H GLU 90 H GLU 90 1.343 -11.377 0.459 683 HA GLU 90 HA GLU 90 2.414 -12.670 -1.729 684 HB2 GLU 90 1HB GLU 90 0.213 -13.335 0.242 685 HB3 GLU 90 2HB GLU 90 0.545 -14.422 -1.093 686 HG2 GLU 90 1HG GLU 90 2.531 -13.513 1.041 687 HG3 GLU 90 2HG GLU 90 1.844 -15.117 0.875 688 H LYS 91 H LYS 91 -1.091 -11.886 -1.100 689 HA LYS 91 HA LYS 91 -2.005 -12.578 -3.602 690 HB2 LYS 91 1HB LYS 91 -2.971 -10.919 -1.337 691 HB3 LYS 91 2HB LYS 91 -3.734 -10.616 -2.885 692 HG2 LYS 91 1HG LYS 91 -5.053 -12.411 -2.403 693 HG3 LYS 91 2HG LYS 91 -3.667 -13.390 -2.838 694 HD2 LYS 91 1HD LYS 91 -4.082 -14.229 -0.708 695 HD3 LYS 91 2HD LYS 91 -2.942 -12.960 -0.306 696 HE2 LYS 91 1HE LYS 91 -4.656 -12.488 1.213 697 HE3 LYS 91 2HE LYS 91 -5.111 -11.439 -0.115 698 HZ1 LYS 91 1HZ LYS 91 -6.502 -13.630 0.932 699 HZ2 LYS 91 2HZ LYS 91 -7.003 -12.534 -0.169 700 HZ3 LYS 91 3HZ LYS 91 -6.224 -13.883 -0.657 701 H VAL 92 H VAL 92 -0.998 -9.301 -2.398 702 HA VAL 92 HA VAL 92 -1.422 -7.808 -4.579 703 HB VAL 92 HB VAL 92 0.957 -7.851 -2.720 704 HG11 VAL 92 1HG1 VAL 92 0.783 -6.455 -5.150 705 HG12 VAL 92 2HG1 VAL 92 0.393 -5.257 -3.892 706 HG13 VAL 92 3HG1 VAL 92 1.924 -6.162 -3.816 707 HG21 VAL 92 1HG2 VAL 92 -1.108 -7.474 -1.549 708 HG22 VAL 92 2HG2 VAL 92 -0.258 -5.915 -1.682 709 HG23 VAL 92 3HG2 VAL 92 -1.634 -6.273 -2.753 710 H SER 93 H SER 93 -1.058 -8.154 -6.704 711 HA SER 93 HA SER 93 1.208 -9.814 -7.392 712 HB2 SER 93 1HB SER 93 -1.175 -8.829 -9.019 713 HB3 SER 93 2HB SER 93 0.122 -9.796 -9.692 714 HG SER 93 HG SER 93 -1.894 -10.940 -8.876 715 H PHE 94 H PHE 94 -0.334 -6.640 -8.250 716 HA PHE 94 HA PHE 94 2.340 -5.690 -8.969 717 HB2 PHE 94 1HB PHE 94 0.988 -6.260 -11.020 718 HB3 PHE 94 2HB PHE 94 -0.350 -5.303 -10.415 719 HD1 PHE 94 1HD PHE 94 3.137 -5.081 -11.642 720 HD2 PHE 94 2HD PHE 94 -0.457 -2.981 -10.817 721 HE1 PHE 94 1HE PHE 94 4.044 -3.062 -12.826 722 HE2 PHE 94 2HE PHE 94 0.450 -0.962 -12.002 723 HZ PHE 94 HZ PHE 94 2.690 -1.027 -12.992 724 H CYS 95 H CYS 95 2.617 -3.347 -8.761 725 HA CYS 95 HA CYS 95 0.468 -1.875 -7.564 726 HB2 CYS 95 1HB CYS 95 1.869 -1.249 -5.542 727 HB3 CYS 95 2HB CYS 95 1.163 -2.853 -5.526 728 HG CYS 95 HG CYS 95 3.306 -4.059 -6.556 729 H ALA 96 H ALA 96 0.612 0.025 -8.704 730 HA ALA 96 HA ALA 96 3.301 1.106 -9.155 731 HB1 ALA 96 1HB ALA 96 2.481 1.841 -11.417 732 HB2 ALA 96 2HB ALA 96 2.623 0.075 -11.243 733 HB3 ALA 96 3HB ALA 96 1.024 0.852 -11.158 734 HA PRO 97 HA PRO 97 1.484 4.719 -7.621 735 HB2 PRO 97 1HB PRO 97 3.182 6.629 -8.588 736 HB3 PRO 97 2HB PRO 97 3.541 5.654 -7.177 737 HG2 PRO 97 1HG PRO 97 4.650 5.439 -9.909 738 HG3 PRO 97 2HG PRO 97 5.282 4.781 -8.413 739 HD2 PRO 97 1HD PRO 97 3.894 3.342 -10.469 740 HD3 PRO 97 2HD PRO 97 4.424 2.711 -8.923 741 H ASP 98 H ASP 98 1.347 7.307 -8.619 742 HA ASP 98 HA ASP 98 -0.111 6.857 -11.090 743 HB2 ASP 98 1HB ASP 98 -1.077 8.359 -8.617 744 HB3 ASP 98 2HB ASP 98 -1.820 8.564 -10.191 745 H ARG 99 H ARG 99 -0.882 9.386 -11.763 746 HA ARG 99 HA ARG 99 1.317 11.149 -11.130 747 HB2 ARG 99 1HB ARG 99 0.671 9.999 -13.830 748 HB3 ARG 99 2HB ARG 99 1.070 11.705 -13.798 749 HG2 ARG 99 1HG ARG 99 2.970 10.362 -12.106 750 HG3 ARG 99 2HG ARG 99 2.853 9.433 -13.588 751 HD2 ARG 99 1HD ARG 99 4.226 10.963 -14.558 752 HD3 ARG 99 2HD ARG 99 2.902 12.109 -14.480 753 HE ARG 99 HE ARG 99 4.046 12.170 -11.923 754 HH11 ARG 99 2HH2 ARG 99 5.168 12.753 -15.207 755 HH12 ARG 99 1HH2 ARG 99 6.375 13.899 -14.728 756 HH21 ARG 99 2HH1 ARG 99 5.638 13.682 -11.290 757 HH22 ARG 99 1HH1 ARG 99 6.644 14.431 -12.485 758 H ASN 100 H ASN 100 -1.781 10.657 -12.957 759 HA ASN 100 HA ASN 100 -2.560 13.108 -13.489 760 HB2 ASN 100 1HB ASN 100 -4.414 11.170 -12.017 761 HB3 ASN 100 2HB ASN 100 -4.878 12.358 -13.219 762 HD21 ASN 100 1HD2 ASN 100 -5.323 9.502 -13.191 763 HD22 ASN 100 2HD2 ASN 100 -4.600 8.836 -14.617 764 H PHE 101 H PHE 101 -2.605 11.509 -10.247 765 HA PHE 101 HA PHE 101 -3.570 13.979 -9.039 766 HB2 PHE 101 1HB PHE 101 -2.866 11.310 -7.709 767 HB3 PHE 101 2HB PHE 101 -4.004 12.511 -7.132 768 HD1 PHE 101 2HD PHE 101 -3.471 9.846 -9.613 769 HD2 PHE 101 1HD PHE 101 -6.268 12.544 -7.909 770 HE1 PHE 101 2HE PHE 101 -5.349 8.596 -10.715 771 HE2 PHE 101 1HE PHE 101 -8.145 11.295 -9.011 772 HZ PHE 101 HZ PHE 101 -7.663 9.335 -10.401 773 H ASP 102 H ASP 102 -2.485 14.150 -6.616 774 HA ASP 102 HA ASP 102 0.274 14.654 -7.246 775 HB2 ASP 102 1HB ASP 102 -1.749 15.718 -5.416 776 HB3 ASP 102 2HB ASP 102 -0.274 15.354 -4.542 777 H ARG 103 H ARG 103 -1.823 12.832 -4.924 778 HA ARG 103 HA ARG 103 0.399 11.058 -4.468 779 HB2 ARG 103 1HB ARG 103 -0.063 11.067 -1.973 780 HB3 ARG 103 2HB ARG 103 0.608 12.572 -2.569 781 HG2 ARG 103 1HG ARG 103 -1.992 13.205 -2.872 782 HG3 ARG 103 2HG ARG 103 -2.198 11.981 -1.635 783 HD2 ARG 103 1HD ARG 103 -1.914 13.942 -0.352 784 HD3 ARG 103 2HD ARG 103 -0.299 13.262 -0.346 785 HE ARG 103 HE ARG 103 0.445 15.078 -1.621 786 HH11 ARG 103 2HH2 ARG 103 -3.062 14.879 -1.841 787 HH12 ARG 103 1HH2 ARG 103 -3.220 16.377 -2.697 788 HH21 ARG 103 2HH1 ARG 103 0.236 17.053 -2.750 789 HH22 ARG 103 1HH1 ARG 103 -1.332 17.622 -3.218 790 H ALA 104 H ALA 104 -0.965 9.651 -5.833 791 HA ALA 104 HA ALA 104 -3.138 8.458 -4.272 792 HB1 ALA 104 1HB ALA 104 -3.202 9.432 -7.144 793 HB2 ALA 104 2HB ALA 104 -4.321 8.184 -6.544 794 HB3 ALA 104 3HB ALA 104 -4.328 9.810 -5.819 795 H PHE 105 H PHE 105 -2.159 6.547 -3.718 796 HA PHE 105 HA PHE 105 -0.834 5.104 -5.903 797 HB2 PHE 105 1HB PHE 105 0.745 5.461 -4.131 798 HB3 PHE 105 2HB PHE 105 -0.491 5.377 -2.892 799 HD1 PHE 105 2HD PHE 105 1.388 3.285 -5.317 800 HD2 PHE 105 1HD PHE 105 -0.872 3.381 -1.727 801 HE1 PHE 105 2HE PHE 105 2.001 0.893 -4.868 802 HE2 PHE 105 1HE PHE 105 -0.260 0.988 -1.278 803 HZ PHE 105 HZ PHE 105 1.169 -0.227 -2.854 804 H SER 106 H SER 106 -1.238 2.821 -6.131 805 HA SER 106 HA SER 106 -3.295 1.713 -4.466 806 HB2 SER 106 1HB SER 106 -4.597 0.986 -6.572 807 HB3 SER 106 2HB SER 106 -4.774 2.653 -6.063 808 HG SER 106 HG SER 106 -2.946 1.723 -8.113 809 H TYR 107 H TYR 107 -3.615 -0.695 -5.017 810 HA TYR 107 HA TYR 107 -1.426 -1.826 -6.565 811 HB2 TYR 107 1HB TYR 107 -0.604 -3.051 -4.637 812 HB3 TYR 107 2HB TYR 107 -0.868 -1.432 -4.020 813 HD1 TYR 107 2HD TYR 107 -2.695 -4.689 -4.406 814 HD2 TYR 107 1HD TYR 107 -2.079 -1.171 -2.051 815 HE1 TYR 107 2HE TYR 107 -4.229 -5.618 -2.605 816 HE2 TYR 107 1HE TYR 107 -3.616 -2.111 -0.257 817 HH TYR 107 HH TYR 107 -5.693 -4.617 -0.798 818 H ILE 108 H ILE 108 -1.941 -3.809 -7.495 819 HA ILE 108 HA ILE 108 -4.721 -4.585 -7.185 820 HB ILE 108 HB ILE 108 -2.621 -5.514 -9.147 821 HG12 ILE 108 1HG1 ILE 108 -4.709 -3.330 -9.353 822 HG13 ILE 108 2HG1 ILE 108 -2.969 -3.149 -9.440 823 HG21 ILE 108 1HG2 ILE 108 -5.607 -5.752 -9.467 824 HG22 ILE 108 2HG2 ILE 108 -4.307 -6.606 -10.332 825 HG23 ILE 108 3HG2 ILE 108 -4.656 -7.004 -8.633 826 HD11 ILE 108 1HD1 ILE 108 -2.902 -4.509 -11.514 827 HD12 ILE 108 2HD1 ILE 108 -4.664 -4.743 -11.418 828 HD13 ILE 108 3HD1 ILE 108 -3.997 -3.118 -11.702 829 H CYS 109 H CYS 109 -5.392 -6.722 -6.632 830 HA CYS 109 HA CYS 109 -3.381 -8.598 -5.827 831 HB2 CYS 109 1HB CYS 109 -3.900 -8.738 -3.513 832 HB3 CYS 109 2HB CYS 109 -3.584 -7.046 -3.846 833 HG CYS 109 HG CYS 109 -6.330 -6.772 -4.516 834 H ARG 110 H ARG 110 -4.722 -10.582 -4.739 835 HA ARG 110 HA ARG 110 -7.059 -10.853 -6.444 836 HB2 ARG 110 1HB ARG 110 -5.329 -12.521 -6.917 837 HB3 ARG 110 2HB ARG 110 -5.176 -12.926 -5.219 838 HG2 ARG 110 1HG ARG 110 -7.957 -13.200 -6.127 839 HG3 ARG 110 2HG ARG 110 -6.874 -14.169 -7.107 840 HD2 ARG 110 1HD ARG 110 -6.256 -14.347 -4.217 841 HD3 ARG 110 2HD ARG 110 -7.882 -14.880 -4.592 842 HE ARG 110 HE ARG 110 -6.273 -16.086 -6.542 843 HH11 ARG 110 2HH2 ARG 110 -6.413 -16.096 -3.026 844 HH12 ARG 110 1HH2 ARG 110 -5.768 -17.697 -2.877 845 HH21 ARG 110 2HH1 ARG 110 -5.422 -18.198 -6.347 846 HH22 ARG 110 1HH1 ARG 110 -5.200 -18.900 -4.779 847 H ASP 111 H ASP 111 -8.685 -9.998 -5.056 848 HA ASP 111 HA ASP 111 -8.881 -10.181 -2.410 849 HB2 ASP 111 1HB ASP 111 -10.553 -9.414 -4.465 850 HB3 ASP 111 2HB ASP 111 -11.427 -10.801 -3.846 851 H GLY 112 H GLY 112 -10.233 -11.657 -0.969 852 HA2 GLY 112 1HA GLY 112 -10.121 -14.450 -1.935 853 HA3 GLY 112 2HA GLY 112 -9.849 -13.942 -0.280 854 H THR 113 H THR 113 -11.975 -11.982 -0.053 855 HA THR 113 HA THR 113 -14.084 -13.640 0.706 856 HB THR 113 HB THR 113 -15.192 -11.512 1.189 857 HG1 THR 113 1HG THR 113 -13.102 -10.512 -0.618 858 HG21 THR 113 1HG2 THR 113 -12.431 -10.417 1.353 859 HG22 THR 113 2HG2 THR 113 -13.624 -10.666 2.650 860 HG23 THR 113 3HG2 THR 113 -12.611 -12.023 2.100 861 H THR 114 H THR 114 -13.724 -11.545 -2.226 862 HA THR 114 HA THR 114 -16.167 -12.710 -3.291 863 HB THR 114 HB THR 114 -14.249 -10.503 -4.195 864 HG1 THR 114 1HG THR 114 -16.202 -9.289 -3.557 865 HG21 THR 114 1HG2 THR 114 -16.088 -9.922 -5.812 866 HG22 THR 114 2HG2 THR 114 -15.334 -11.486 -6.205 867 HG23 THR 114 3HG2 THR 114 -16.913 -11.441 -5.385 868 H ARG 115 H ARG 115 -12.762 -13.309 -3.309 869 HA ARG 115 HA ARG 115 -11.552 -14.775 -4.336 870 HB2 ARG 115 1HB ARG 115 -14.304 -15.843 -4.913 871 HB3 ARG 115 2HB ARG 115 -12.999 -16.503 -5.879 872 HG2 ARG 115 1HG ARG 115 -12.552 -16.301 -2.907 873 HG3 ARG 115 2HG ARG 115 -13.668 -17.529 -3.469 874 HD2 ARG 115 1HD ARG 115 -11.368 -17.636 -5.194 875 HD3 ARG 115 2HD ARG 115 -10.770 -17.556 -3.549 876 HE ARG 115 HE ARG 115 -12.952 -19.447 -3.735 877 HH11 ARG 115 2HH2 ARG 115 -9.536 -19.061 -4.488 878 HH12 ARG 115 1HH2 ARG 115 -9.196 -20.757 -4.411 879 HH21 ARG 115 2HH1 ARG 115 -12.504 -21.685 -3.634 880 HH22 ARG 115 1HH1 ARG 115 -10.896 -22.260 -3.923 881 H ARG 116 H ARG 116 -11.607 -12.334 -5.566 882 HA ARG 116 HA ARG 116 -11.290 -13.105 -8.313 883 HB2 ARG 116 1HB ARG 116 -12.638 -11.269 -9.209 884 HB3 ARG 116 2HB ARG 116 -13.647 -12.211 -8.128 885 HG2 ARG 116 1HG ARG 116 -13.249 -10.572 -6.296 886 HG3 ARG 116 2HG ARG 116 -12.188 -9.644 -7.338 887 HD2 ARG 116 1HD ARG 116 -15.194 -10.024 -7.581 888 HD3 ARG 116 2HD ARG 116 -14.298 -8.523 -7.463 889 HE ARG 116 HE ARG 116 -13.296 -9.533 -9.787 890 HH11 ARG 116 2HH2 ARG 116 -16.608 -9.233 -8.638 891 HH12 ARG 116 1HH2 ARG 116 -17.280 -9.075 -10.226 892 HH21 ARG 116 2HH1 ARG 116 -14.182 -9.325 -11.883 893 HH22 ARG 116 1HH1 ARG 116 -15.891 -9.128 -12.084 894 H TRP 117 H TRP 117 -10.849 -10.460 -9.357 895 HA TRP 117 HA TRP 117 -8.413 -9.792 -7.892 896 HB2 TRP 117 1HB TRP 117 -9.211 -8.800 -10.621 897 HB3 TRP 117 2HB TRP 117 -7.618 -8.825 -9.891 898 HD1 TRP 117 HD TRP 117 -10.105 -11.154 -11.674 899 HE1 TRP 117 1HE TRP 117 -8.948 -13.402 -12.428 900 HE3 TRP 117 3HE TRP 117 -5.722 -10.330 -9.231 901 HZ2 TRP 117 2HZ TRP 117 -6.387 -14.558 -11.929 902 HZ3 TRP 117 3HZ TRP 117 -3.945 -12.068 -9.416 903 HH2 TRP 117 HH TRP 117 -4.223 -14.125 -10.708 904 H ILE 118 H ILE 118 -8.166 -7.803 -6.877 905 HA ILE 118 HA ILE 118 -10.231 -5.797 -7.370 906 HB ILE 118 HB ILE 118 -9.501 -6.979 -4.696 907 HG12 ILE 118 1HG1 ILE 118 -11.366 -7.903 -6.294 908 HG13 ILE 118 2HG1 ILE 118 -11.652 -7.756 -4.571 909 HG21 ILE 118 1HG2 ILE 118 -11.013 -4.414 -5.261 910 HG22 ILE 118 2HG2 ILE 118 -10.881 -5.215 -3.676 911 HG23 ILE 118 3HG2 ILE 118 -9.427 -4.562 -4.468 912 HD11 ILE 118 1HD1 ILE 118 -12.849 -5.650 -4.870 913 HD12 ILE 118 2HD1 ILE 118 -12.404 -5.597 -6.593 914 HD13 ILE 118 3HD1 ILE 118 -13.527 -6.845 -6.001 915 H CYS 119 H CYS 119 -9.550 -3.611 -6.803 916 HA CYS 119 HA CYS 119 -6.641 -3.430 -6.507 917 HB2 CYS 119 1HB CYS 119 -7.328 -2.949 -8.842 918 HB3 CYS 119 2HB CYS 119 -8.378 -1.669 -8.268 919 HG CYS 119 HG CYS 119 -6.734 0.023 -8.348 920 H HIS 120 H HIS 120 -5.950 -1.916 -4.959 921 HA HIS 120 HA HIS 120 -8.099 -0.373 -3.698 922 HB2 HIS 120 1HB HIS 120 -5.680 -1.603 -2.348 923 HB3 HIS 120 2HB HIS 120 -6.924 -0.648 -1.566 924 HD1 HIS 120 1HD HIS 120 -8.120 -2.300 -0.104 925 HD2 HIS 120 2HD HIS 120 -7.525 -3.753 -3.994 926 HE1 HIS 120 1HE HIS 120 -9.352 -4.531 -0.230 927 H CYS 121 H CYS 121 -7.618 1.785 -3.079 928 HA CYS 121 HA CYS 121 -5.049 2.744 -4.113 929 HB2 CYS 121 1HB CYS 121 -7.113 3.338 -5.511 930 HB3 CYS 121 2HB CYS 121 -7.609 4.359 -4.176 931 HG CYS 121 HG CYS 121 -5.184 4.572 -6.322 932 H PHE 122 H PHE 122 -4.329 4.813 -2.979 933 HA PHE 122 HA PHE 122 -5.590 5.275 -0.416 934 HB2 PHE 122 1HB PHE 122 -2.666 4.413 -0.847 935 HB3 PHE 122 2HB PHE 122 -3.310 4.949 0.692 936 HD1 PHE 122 1HD PHE 122 -5.427 3.587 1.528 937 HD2 PHE 122 2HD PHE 122 -2.581 2.145 -1.270 938 HE1 PHE 122 1HE PHE 122 -6.088 1.228 2.072 939 HE2 PHE 122 2HE PHE 122 -3.242 -0.215 -0.726 940 HZ PHE 122 HZ PHE 122 -4.987 -0.645 0.939 941 H MET 123 H MET 123 -5.830 7.457 -0.370 942 HA MET 123 HA MET 123 -4.000 9.050 -1.903 943 HB2 MET 123 1HB MET 123 -6.720 9.272 -0.770 944 HB3 MET 123 2HB MET 123 -5.790 10.725 -0.460 945 HG2 MET 123 1HG MET 123 -5.681 9.561 -3.242 946 HG3 MET 123 2HG MET 123 -7.153 10.381 -2.760 947 HE1 MET 123 1HE MET 123 -4.009 11.506 -4.798 948 HE2 MET 123 2HE MET 123 -5.717 11.057 -5.025 949 HE3 MET 123 3HE MET 123 -5.238 12.771 -5.039 950 H ALA 124 H ALA 124 -2.009 9.202 -0.853 951 HA ALA 124 HA ALA 124 -1.488 9.191 1.794 952 HB1 ALA 124 1HB ALA 124 -0.092 9.661 -0.550 953 HB2 ALA 124 2HB ALA 124 0.087 11.202 0.323 954 HB3 ALA 124 3HB ALA 124 0.605 9.680 1.087 955 H VAL 125 H VAL 125 -1.045 10.892 3.396 956 HA VAL 125 HA VAL 125 -3.074 12.954 3.221 957 HB VAL 125 HB VAL 125 -1.295 11.893 5.414 958 HG11 VAL 125 1HG1 VAL 125 -3.316 13.646 6.444 959 HG12 VAL 125 2HG1 VAL 125 -1.547 13.758 6.607 960 HG13 VAL 125 3HG1 VAL 125 -2.364 14.527 5.225 961 HG21 VAL 125 1HG2 VAL 125 -3.626 11.441 6.419 962 HG22 VAL 125 2HG2 VAL 125 -4.243 11.730 4.775 963 HG23 VAL 125 3HG2 VAL 125 -3.085 10.411 5.072 964 H LYS 126 H LYS 126 0.424 12.825 4.223 965 HA LYS 126 HA LYS 126 0.764 15.359 2.793 966 HB2 LYS 126 1HB LYS 126 2.190 16.169 4.644 967 HB3 LYS 126 2HB LYS 126 0.513 15.966 5.108 968 HG2 LYS 126 1HG LYS 126 1.239 13.574 5.909 969 HG3 LYS 126 2HG LYS 126 2.878 14.186 5.801 970 HD2 LYS 126 1HD LYS 126 0.827 15.836 7.284 971 HD3 LYS 126 2HD LYS 126 1.461 14.402 8.066 972 HE2 LYS 126 1HE LYS 126 3.031 15.970 8.779 973 HE3 LYS 126 2HE LYS 126 3.822 15.398 7.324 974 HZ1 LYS 126 1HZ LYS 126 3.779 17.497 6.690 975 HZ2 LYS 126 2HZ LYS 126 2.167 17.362 6.465 976 HZ3 LYS 126 3HZ LYS 126 2.748 17.951 7.873 977 H ASP 127 H ASP 127 1.245 12.802 1.707 978 HA ASP 127 HA ASP 127 4.142 12.935 1.588 979 HB2 ASP 127 1HB ASP 127 2.600 10.307 1.530 980 HB3 ASP 127 2HB ASP 127 4.338 10.512 1.611 981 H THR 128 H THR 128 4.597 10.995 -0.377 982 HA THR 128 HA THR 128 2.733 11.717 -2.541 983 HB THR 128 HB THR 128 4.823 13.031 -2.735 984 HG1 THR 128 1HG THR 128 3.803 11.943 -4.635 985 HG21 THR 128 1HG2 THR 128 6.606 11.901 -1.690 986 HG22 THR 128 2HG2 THR 128 6.063 10.309 -2.271 987 HG23 THR 128 3HG2 THR 128 6.878 11.433 -3.385 988 H GLY 129 H GLY 129 2.300 10.140 -4.116 989 HA2 GLY 129 1HA GLY 129 1.978 7.566 -3.270 990 HA3 GLY 129 2HA GLY 129 2.096 8.057 -4.948 991 H GLU 130 H GLU 130 4.929 9.137 -4.479 992 HA GLU 130 HA GLU 130 6.287 6.941 -5.372 993 HB2 GLU 130 1HB GLU 130 6.855 9.672 -4.764 994 HB3 GLU 130 2HB GLU 130 8.084 8.725 -3.950 995 HG2 GLU 130 1HG GLU 130 9.099 8.845 -6.020 996 HG3 GLU 130 2HG GLU 130 8.119 7.422 -6.317 997 H ARG 131 H ARG 131 6.748 8.489 -2.105 998 HA ARG 131 HA ARG 131 8.242 6.531 -1.029 999 HB2 ARG 131 1HB ARG 131 6.326 8.570 0.073 1000 HB3 ARG 131 2HB ARG 131 6.837 7.312 1.180 1001 HG2 ARG 131 1HG ARG 131 8.808 8.383 1.493 1002 HG3 ARG 131 2HG ARG 131 9.192 8.180 -0.204 1003 HD2 ARG 131 1HD ARG 131 9.218 10.503 -0.099 1004 HD3 ARG 131 2HD ARG 131 7.527 10.267 -0.495 1005 HE ARG 131 HE ARG 131 7.782 10.158 2.346 1006 HH11 ARG 131 2HH2 ARG 131 8.086 12.483 -0.278 1007 HH12 ARG 131 1HH2 ARG 131 7.668 13.844 0.709 1008 HH21 ARG 131 2HH1 ARG 131 7.231 11.953 3.648 1009 HH22 ARG 131 1HH1 ARG 131 7.178 13.540 2.957 1010 H LEU 132 H LEU 132 4.674 6.691 -1.394 1011 HA LEU 132 HA LEU 132 3.993 4.591 0.284 1012 HB2 LEU 132 1HB LEU 132 2.756 5.942 -2.071 1013 HB3 LEU 132 2HB LEU 132 2.055 4.436 -1.512 1014 HG LEU 132 HG LEU 132 2.271 5.808 0.844 1015 HD11 LEU 132 1HD1 LEU 132 2.400 7.781 -1.309 1016 HD12 LEU 132 2HD1 LEU 132 1.041 8.052 -0.192 1017 HD13 LEU 132 3HD1 LEU 132 2.703 7.958 0.436 1018 HD21 LEU 132 1HD2 LEU 132 -0.100 5.990 -1.030 1019 HD22 LEU 132 2HD2 LEU 132 0.328 4.543 -0.086 1020 HD23 LEU 132 3HD2 LEU 132 -0.109 6.053 0.749 1021 H SER 133 H SER 133 4.430 4.515 -3.328 1022 HA SER 133 HA SER 133 4.234 1.804 -3.556 1023 HB2 SER 133 1HB SER 133 4.967 2.098 -5.759 1024 HB3 SER 133 2HB SER 133 4.400 3.706 -5.356 1025 HG SER 133 HG SER 133 7.124 2.750 -5.434 1026 H HIS 134 H HIS 134 6.754 3.735 -2.131 1027 HA HIS 134 HA HIS 134 8.852 1.853 -2.590 1028 HB2 HIS 134 1HB HIS 134 9.877 3.823 -2.285 1029 HB3 HIS 134 2HB HIS 134 8.529 4.508 -1.399 1030 HD1 HIS 134 1HD HIS 134 11.813 2.770 -0.927 1031 HD2 HIS 134 2HD HIS 134 8.632 4.148 1.436 1032 HE1 HIS 134 1HE HIS 134 12.647 2.740 1.485 1033 H ALA 135 H ALA 135 6.769 2.829 0.214 1034 HA ALA 135 HA ALA 135 7.848 1.077 2.060 1035 HB1 ALA 135 1HB ALA 135 5.420 1.263 3.019 1036 HB2 ALA 135 2HB ALA 135 6.412 2.735 2.888 1037 HB3 ALA 135 3HB ALA 135 5.157 2.396 1.672 1038 H VAL 136 H VAL 136 5.105 0.620 -0.268 1039 HA VAL 136 HA VAL 136 4.653 -2.055 0.538 1040 HB VAL 136 HB VAL 136 2.982 -0.559 -0.491 1041 HG11 VAL 136 1HG1 VAL 136 3.244 0.456 -2.472 1042 HG12 VAL 136 2HG1 VAL 136 4.954 -0.025 -2.368 1043 HG13 VAL 136 3HG1 VAL 136 3.797 -1.040 -3.260 1044 HG21 VAL 136 1HG2 VAL 136 2.035 -2.577 -0.756 1045 HG22 VAL 136 2HG2 VAL 136 2.530 -2.448 -2.461 1046 HG23 VAL 136 3HG2 VAL 136 3.559 -3.319 -1.299 1047 H GLY 137 H GLY 137 6.767 -0.433 -1.828 1048 HA2 GLY 137 1HA GLY 137 7.441 -2.828 -3.250 1049 HA3 GLY 137 2HA GLY 137 8.217 -1.260 -3.359 1050 H CYS 138 H CYS 138 8.172 -1.686 -0.107 1051 HA CYS 138 HA CYS 138 10.890 -2.641 -0.121 1052 HB2 CYS 138 1HB CYS 138 9.121 -1.341 1.949 1053 HB3 CYS 138 2HB CYS 138 10.624 -2.113 2.414 1054 HG CYS 138 HG CYS 138 10.239 0.729 1.599 1055 H ALA 139 H ALA 139 7.728 -3.410 1.516 1056 HA ALA 139 HA ALA 139 8.548 -5.704 2.806 1057 HB1 ALA 139 1HB ALA 139 5.961 -6.251 2.344 1058 HB2 ALA 139 2HB ALA 139 6.470 -4.986 3.488 1059 HB3 ALA 139 3HB ALA 139 5.961 -4.543 1.841 1060 H PHE 140 H PHE 140 7.648 -5.126 -0.601 1061 HA PHE 140 HA PHE 140 7.299 -7.805 -1.318 1062 HB2 PHE 140 1HB PHE 140 7.195 -5.217 -2.447 1063 HB3 PHE 140 2HB PHE 140 8.547 -5.941 -3.294 1064 HD1 PHE 140 1HD PHE 140 4.968 -6.496 -2.464 1065 HD2 PHE 140 2HD PHE 140 8.177 -7.385 -5.095 1066 HE1 PHE 140 1HE PHE 140 3.374 -7.660 -4.015 1067 HE2 PHE 140 2HE PHE 140 6.583 -8.549 -6.646 1068 HZ PHE 140 HZ PHE 140 4.201 -8.673 -6.087 1069 H ALA 141 H ALA 141 10.165 -5.602 -1.744 1070 HA ALA 141 HA ALA 141 11.843 -7.563 -2.783 1071 HB1 ALA 141 1HB ALA 141 12.276 -5.161 -2.962 1072 HB2 ALA 141 2HB ALA 141 12.453 -5.036 -1.195 1073 HB3 ALA 141 3HB ALA 141 13.642 -5.959 -2.146 1074 H ALA 142 H ALA 142 10.653 -6.983 0.462 1075 HA ALA 142 HA ALA 142 12.812 -8.428 1.714 1076 HB1 ALA 142 1HB ALA 142 10.156 -7.624 2.939 1077 HB2 ALA 142 2HB ALA 142 11.725 -7.861 3.747 1078 HB3 ALA 142 3HB ALA 142 11.473 -6.453 2.687 1079 H CYS 143 H CYS 143 9.233 -8.891 1.249 1080 HA CYS 143 HA CYS 143 9.139 -11.449 2.253 1081 HB2 CYS 143 1HB CYS 143 7.163 -10.029 1.766 1082 HB3 CYS 143 2HB CYS 143 7.415 -10.270 0.048 1083 HG CYS 143 HG CYS 143 5.894 -12.100 0.041 1084 H LEU 144 H LEU 144 9.734 -10.222 -1.106 1085 HA LEU 144 HA LEU 144 9.931 -12.766 -2.278 1086 HB2 LEU 144 1HB LEU 144 10.773 -9.992 -3.056 1087 HB3 LEU 144 2HB LEU 144 11.232 -11.370 -4.036 1088 HG LEU 144 HG LEU 144 8.433 -10.404 -3.416 1089 HD11 LEU 144 1HD1 LEU 144 9.366 -9.102 -5.146 1090 HD12 LEU 144 2HD1 LEU 144 10.114 -10.518 -5.923 1091 HD13 LEU 144 3HD1 LEU 144 8.346 -10.316 -5.956 1092 HD21 LEU 144 1HD2 LEU 144 7.812 -12.553 -3.504 1093 HD22 LEU 144 2HD2 LEU 144 8.103 -12.404 -5.254 1094 HD23 LEU 144 3HD2 LEU 144 9.365 -13.081 -4.196 1095 H GLU 145 H GLU 145 12.274 -10.587 -0.658 1096 HA GLU 145 HA GLU 145 14.600 -11.688 -1.424 1097 HB2 GLU 145 1HB GLU 145 13.654 -10.063 0.754 1098 HB3 GLU 145 2HB GLU 145 14.752 -11.254 1.423 1099 HG2 GLU 145 1HG GLU 145 15.698 -10.030 -1.119 1100 HG3 GLU 145 2HG GLU 145 15.528 -8.890 0.201 1101 H ARG 146 H ARG 146 12.095 -13.112 0.628 1102 HA ARG 146 HA ARG 146 13.777 -15.067 1.750 1103 HB2 ARG 146 1HB ARG 146 10.762 -14.722 1.514 1104 HB3 ARG 146 2HB ARG 146 11.433 -16.188 2.200 1105 HG2 ARG 146 1HG ARG 146 11.792 -15.146 4.180 1106 HG3 ARG 146 2HG ARG 146 12.796 -13.940 3.400 1107 HD2 ARG 146 1HD ARG 146 11.109 -12.376 3.346 1108 HD3 ARG 146 2HD ARG 146 9.887 -13.556 2.917 1109 HE ARG 146 HE ARG 146 9.319 -13.675 5.171 1110 HH11 ARG 146 2HH2 ARG 146 12.683 -12.670 4.930 1111 HH12 ARG 146 1HH2 ARG 146 12.882 -12.481 6.640 1112 HH21 ARG 146 2HH1 ARG 146 9.581 -13.424 7.427 1113 HH22 ARG 146 1HH1 ARG 146 11.105 -12.912 8.070 1114 H LYS 147 H LYS 147 11.689 -14.801 -1.150 1115 HA LYS 147 HA LYS 147 12.075 -17.598 -1.788 1116 HB2 LYS 147 1HB LYS 147 10.737 -15.585 -3.579 1117 HB3 LYS 147 2HB LYS 147 10.438 -17.305 -3.425 1118 HG2 LYS 147 1HG LYS 147 9.809 -16.636 -0.904 1119 HG3 LYS 147 2HG LYS 147 9.554 -15.055 -1.615 1120 HD2 LYS 147 1HD LYS 147 8.257 -17.635 -2.613 1121 HD3 LYS 147 2HD LYS 147 7.469 -16.464 -1.574 1122 HE2 LYS 147 1HE LYS 147 8.475 -14.918 -3.716 1123 HE3 LYS 147 2HE LYS 147 7.890 -16.381 -4.483 1124 HZ1 LYS 147 1HZ LYS 147 6.264 -14.958 -2.510 1125 HZ2 LYS 147 2HZ LYS 147 6.248 -14.536 -4.088 1126 HZ3 LYS 147 3HZ LYS 147 5.777 -16.033 -3.639 1127 H GLN 148 H GLN 148 12.780 -14.378 -3.324 1128 HA GLN 148 HA GLN 148 14.871 -15.750 -4.809 1129 HB2 GLN 148 1HB GLN 148 14.793 -13.799 -6.344 1130 HB3 GLN 148 2HB GLN 148 13.228 -14.573 -6.203 1131 HG2 GLN 148 1HG GLN 148 12.275 -12.692 -5.352 1132 HG3 GLN 148 2HG GLN 148 13.528 -12.524 -4.138 1133 HE21 GLN 148 1HE2 GLN 148 12.652 -10.262 -5.035 1134 HE22 GLN 148 2HE2 GLN 148 13.716 -9.488 -6.161 1135 H LYS 149 H LYS 149 16.660 -13.796 -5.429 1136 HA LYS 149 HA LYS 149 17.566 -12.917 -2.779 1137 HB2 LYS 149 1HB LYS 149 19.813 -13.137 -3.576 1138 HB3 LYS 149 2HB LYS 149 18.962 -14.628 -3.925 1139 HG2 LYS 149 1HG LYS 149 19.595 -14.401 -6.090 1140 HG3 LYS 149 2HG LYS 149 18.506 -13.033 -6.209 1141 HD2 LYS 149 1HD LYS 149 20.225 -11.540 -6.278 1142 HD3 LYS 149 2HD LYS 149 21.014 -12.265 -4.892 1143 HE2 LYS 149 1HE LYS 149 22.430 -13.519 -6.191 1144 HE3 LYS 149 2HE LYS 149 21.166 -13.952 -7.326 1145 HZ1 LYS 149 1HZ LYS 149 21.561 -11.287 -7.694 1146 HZ2 LYS 149 2HZ LYS 149 23.069 -11.884 -7.508 1147 HZ3 LYS 149 3HZ LYS 149 22.090 -12.487 -8.667 1148 H ARG 150 H ARG 150 18.735 -10.822 -2.698 1149 HA ARG 150 HA ARG 150 17.229 -8.825 -3.733 1150 HB2 ARG 150 1HB ARG 150 19.415 -9.018 -2.023 1151 HB3 ARG 150 2HB ARG 150 20.102 -8.124 -3.365 1152 HG2 ARG 150 1HG ARG 150 19.226 -6.345 -2.163 1153 HG3 ARG 150 2HG ARG 150 17.830 -6.710 -3.157 1154 HD2 ARG 150 1HD ARG 150 16.991 -8.235 -1.284 1155 HD3 ARG 150 2HD ARG 150 18.312 -7.653 -0.291 1156 HE ARG 150 HE ARG 150 15.879 -6.199 -0.963 1157 HH11 ARG 150 2HH2 ARG 150 19.267 -5.813 -0.098 1158 HH12 ARG 150 1HH2 ARG 150 19.053 -4.222 0.553 1159 HH21 ARG 150 2HH1 ARG 150 15.595 -4.100 -0.106 1160 HH22 ARG 150 1HH1 ARG 150 16.950 -3.241 0.548 1161 H SER 151 H SER 151 16.893 -8.302 -5.874 1162 HA SER 151 HA SER 151 19.228 -8.488 -7.613 1163 HB2 SER 151 1HB SER 151 17.666 -8.947 -9.478 1164 HB3 SER 151 2HB SER 151 17.515 -10.151 -8.214 1165 HG SER 151 HG SER 151 15.486 -9.052 -9.201 1166 H GLY 152 H GLY 152 19.954 -6.340 -7.535 1167 HA2 GLY 152 1HA GLY 152 18.069 -4.338 -8.593 1168 HA3 GLY 152 2HA GLY 152 18.966 -4.009 -7.123 1169 HA PRO 153 HA PRO 153 21.526 -3.187 -10.944 1170 HB2 PRO 153 1HB PRO 153 20.964 -0.577 -11.528 1171 HB3 PRO 153 2HB PRO 153 20.236 -1.927 -12.375 1172 HG2 PRO 153 1HG PRO 153 19.036 -0.153 -10.338 1173 HG3 PRO 153 2HG PRO 153 18.234 -1.207 -11.485 1174 HD2 PRO 153 1HD PRO 153 18.615 -1.693 -8.684 1175 HD3 PRO 153 2HD PRO 153 17.917 -2.796 -9.854 1176 H SER 154 H SER 154 23.199 -1.235 -11.285 1177 HA SER 154 HA SER 154 23.795 -0.084 -8.738 1178 HB2 SER 154 1HB SER 154 25.245 -2.458 -9.780 1179 HB3 SER 154 2HB SER 154 26.293 -1.135 -9.308 1180 HG SER 154 HG SER 154 26.019 -2.230 -7.413 1181 H SER 155 H SER 155 23.277 1.766 -10.227 1182 HA SER 155 HA SER 155 24.743 2.241 -12.517 1183 HB2 SER 155 1HB SER 155 22.651 3.471 -11.168 1184 HB3 SER 155 2HB SER 155 23.935 4.651 -10.989 1185 HG SER 155 HG SER 155 23.593 5.226 -13.013 1186 H GLY 156 H GLY 156 25.109 3.725 -9.206 1187 HA2 GLY 156 1HA GLY 156 26.876 4.669 -8.186 1188 HA3 GLY 156 2HA GLY 156 27.838 3.429 -8.966 Start of MODEL 4 1 H1 GLY 1 H GLY 1 24.761 -13.786 3.313 2 HA2 GLY 1 1HA GLY 1 24.212 -16.217 1.715 3 HA3 GLY 1 2HA GLY 1 23.049 -14.936 1.996 4 H SER 2 H SER 2 23.696 -15.702 -0.624 5 HA SER 2 HA SER 2 25.791 -14.395 -1.783 6 HB2 SER 2 1HB SER 2 24.054 -16.074 -2.768 7 HB3 SER 2 2HB SER 2 23.078 -14.663 -3.122 8 HG SER 2 HG SER 2 25.690 -15.333 -4.145 9 H SER 3 H SER 3 26.265 -12.243 -1.411 10 HA SER 3 HA SER 3 24.300 -10.350 -2.283 11 HB2 SER 3 1HB SER 3 24.026 -10.810 0.283 12 HB3 SER 3 2HB SER 3 25.524 -9.917 0.460 13 HG SER 3 HG SER 3 23.314 -8.827 -1.037 14 H GLY 4 H GLY 4 25.295 -8.125 -2.524 15 HA2 GLY 4 1HA GLY 4 28.170 -8.397 -3.095 16 HA3 GLY 4 2HA GLY 4 27.059 -7.255 -3.825 17 H SER 5 H SER 5 26.510 -5.296 -2.748 18 HA SER 5 HA SER 5 27.199 -4.851 -0.080 19 HB2 SER 5 1HB SER 5 29.330 -4.451 -2.017 20 HB3 SER 5 2HB SER 5 28.895 -2.910 -1.306 21 HG SER 5 HG SER 5 30.163 -3.557 0.302 22 H SER 6 H SER 6 25.396 -3.629 0.366 23 HA SER 6 HA SER 6 24.864 -1.440 -1.487 24 HB2 SER 6 1HB SER 6 23.193 -3.540 -1.204 25 HB3 SER 6 2HB SER 6 22.634 -2.599 0.165 26 HG SER 6 HG SER 6 22.518 -0.744 -1.457 27 H GLY 7 H GLY 7 24.466 0.604 -0.548 28 HA2 GLY 7 1HA GLY 7 23.864 0.922 2.222 29 HA3 GLY 7 2HA GLY 7 25.563 1.210 1.903 30 H ALA 8 H ALA 8 22.963 2.936 2.499 31 HA ALA 8 HA ALA 8 23.800 5.092 0.755 32 HB1 ALA 8 1HB ALA 8 21.422 5.552 0.098 33 HB2 ALA 8 2HB ALA 8 22.068 4.041 -0.588 34 HB3 ALA 8 3HB ALA 8 20.965 3.984 0.808 35 H SER 9 H SER 9 22.787 7.202 1.495 36 HA SER 9 HA SER 9 22.174 6.988 4.340 37 HB2 SER 9 1HB SER 9 24.439 7.957 3.868 38 HB3 SER 9 2HB SER 9 23.689 9.225 2.920 39 HG SER 9 HG SER 9 22.390 9.270 5.246 40 H ARG 10 H ARG 10 20.027 6.775 2.708 41 HA ARG 10 HA ARG 10 19.051 9.238 1.808 42 HB2 ARG 10 1HB ARG 10 17.754 6.534 2.361 43 HB3 ARG 10 2HB ARG 10 16.810 7.893 1.785 44 HG2 ARG 10 1HG ARG 10 19.349 7.168 0.311 45 HG3 ARG 10 2HG ARG 10 17.928 6.171 0.072 46 HD2 ARG 10 1HD ARG 10 16.705 7.899 -0.947 47 HD3 ARG 10 2HD ARG 10 17.583 9.164 -0.111 48 HE ARG 10 HE ARG 10 19.415 7.767 -1.812 49 HH11 ARG 10 2HH2 ARG 10 16.666 9.953 -2.024 50 HH12 ARG 10 1HH2 ARG 10 17.164 10.639 -3.534 51 HH21 ARG 10 2HH1 ARG 10 20.073 8.671 -3.805 52 HH22 ARG 10 1HH1 ARG 10 19.115 9.904 -4.554 53 HA PRO 11 HA PRO 11 17.248 10.731 5.487 54 HB2 PRO 11 1HB PRO 11 15.220 12.299 4.539 55 HB3 PRO 11 2HB PRO 11 16.895 12.815 4.574 56 HG2 PRO 11 1HG PRO 11 15.272 11.943 2.262 57 HG3 PRO 11 2HG PRO 11 16.772 12.849 2.271 58 HD2 PRO 11 1HD PRO 11 16.451 10.068 1.649 59 HD3 PRO 11 2HD PRO 11 17.962 10.947 1.771 60 H HIS 12 H HIS 12 14.900 11.243 6.535 61 HA HIS 12 HA HIS 12 13.824 8.600 6.704 62 HB2 HIS 12 1HB HIS 12 14.061 10.757 8.424 63 HB3 HIS 12 2HB HIS 12 12.349 10.753 8.046 64 HD1 HIS 12 1HD HIS 12 10.955 9.260 9.482 65 HD2 HIS 12 2HD HIS 12 14.950 7.994 9.304 66 HE1 HIS 12 1HE HIS 12 11.145 7.266 11.064 67 H GLN 13 H GLN 13 12.993 8.209 4.576 68 HA GLN 13 HA GLN 13 10.359 9.258 4.281 69 HB2 GLN 13 1HB GLN 13 12.598 10.259 2.629 70 HB3 GLN 13 2HB GLN 13 11.267 9.639 1.672 71 HG2 GLN 13 1HG GLN 13 9.711 11.188 2.588 72 HG3 GLN 13 2HG GLN 13 10.702 11.499 4.000 73 HE21 GLN 13 1HE2 GLN 13 10.279 13.733 3.404 74 HE22 GLN 13 2HE2 GLN 13 11.308 14.534 2.265 75 H TRP 14 H TRP 14 12.900 7.707 2.178 76 HA TRP 14 HA TRP 14 10.974 5.627 1.525 77 HB2 TRP 14 1HB TRP 14 13.756 6.021 0.424 78 HB3 TRP 14 2HB TRP 14 12.475 5.020 -0.230 79 HD1 TRP 14 HD TRP 14 12.721 8.844 0.622 80 HE1 TRP 14 1HE TRP 14 11.686 10.284 -1.332 81 HE3 TRP 14 3HE TRP 14 11.414 4.895 -2.302 82 HZ2 TRP 14 2HZ TRP 14 10.463 9.625 -3.825 83 HZ3 TRP 14 3HZ TRP 14 10.304 5.380 -4.481 84 HH2 TRP 14 HH TRP 14 9.826 7.648 -5.255 85 H GLN 15 H GLN 15 14.458 5.895 2.565 86 HA GLN 15 HA GLN 15 14.834 3.298 3.200 87 HB2 GLN 15 1HB GLN 15 16.740 4.680 3.257 88 HB3 GLN 15 2HB GLN 15 15.976 5.876 4.285 89 HG2 GLN 15 1HG GLN 15 16.518 4.758 6.217 90 HG3 GLN 15 2HG GLN 15 16.156 3.187 5.531 91 HE21 GLN 15 1HE2 GLN 15 18.550 5.491 6.294 92 HE22 GLN 15 2HE2 GLN 15 19.947 4.659 5.699 93 H THR 16 H THR 16 13.462 5.916 5.288 94 HA THR 16 HA THR 16 13.234 4.456 7.632 95 HB THR 16 HB THR 16 12.930 6.926 7.391 96 HG1 THR 16 1HG THR 16 10.488 5.511 8.193 97 HG21 THR 16 1HG2 THR 16 10.103 6.384 6.433 98 HG22 THR 16 2HG2 THR 16 11.037 7.898 6.359 99 HG23 THR 16 3HG2 THR 16 11.403 6.570 5.232 100 H ASP 17 H ASP 17 11.297 4.339 4.660 101 HA ASP 17 HA ASP 17 9.241 2.853 5.961 102 HB2 ASP 17 1HB ASP 17 9.847 3.715 3.121 103 HB3 ASP 17 2HB ASP 17 8.638 2.476 3.391 104 H GLU 18 H GLU 18 12.360 2.283 4.548 105 HA GLU 18 HA GLU 18 11.759 -0.371 3.666 106 HB2 GLU 18 1HB GLU 18 13.459 1.183 2.571 107 HB3 GLU 18 2HB GLU 18 14.485 0.957 3.972 108 HG2 GLU 18 1HG GLU 18 14.973 -1.260 3.444 109 HG3 GLU 18 2HG GLU 18 13.426 -1.534 2.668 110 H GLU 19 H GLU 19 12.711 1.245 6.605 111 HA GLU 19 HA GLU 19 13.786 -1.217 7.686 112 HB2 GLU 19 1HB GLU 19 14.776 0.080 9.374 113 HB3 GLU 19 2HB GLU 19 14.835 1.159 7.994 114 HG2 GLU 19 1HG GLU 19 12.732 2.269 8.763 115 HG3 GLU 19 2HG GLU 19 12.655 1.181 10.135 116 H GLY 20 H GLY 20 11.179 1.231 8.247 117 HA2 GLY 20 1HA GLY 20 10.008 0.136 10.500 118 HA3 GLY 20 2HA GLY 20 9.181 1.061 9.262 119 H VAL 21 H VAL 21 10.258 -1.201 7.287 120 HA VAL 21 HA VAL 21 7.862 -2.799 7.575 121 HB VAL 21 HB VAL 21 8.537 -1.799 5.424 122 HG11 VAL 21 1HG1 VAL 21 10.459 -2.430 4.227 123 HG12 VAL 21 2HG1 VAL 21 11.040 -2.179 5.891 124 HG13 VAL 21 3HG1 VAL 21 10.769 -3.830 5.282 125 HG21 VAL 21 1HG2 VAL 21 8.015 -4.675 5.867 126 HG22 VAL 21 2HG2 VAL 21 7.154 -3.491 4.855 127 HG23 VAL 21 3HG2 VAL 21 8.641 -4.262 4.253 128 H ARG 22 H ARG 22 11.458 -3.226 7.465 129 HA ARG 22 HA ARG 22 11.199 -5.986 8.024 130 HB2 ARG 22 1HB ARG 22 13.745 -5.814 8.311 131 HB3 ARG 22 2HB ARG 22 13.132 -5.303 6.751 132 HG2 ARG 22 1HG ARG 22 13.675 -3.090 7.102 133 HG3 ARG 22 2HG ARG 22 13.246 -3.140 8.800 134 HD2 ARG 22 1HD ARG 22 15.357 -3.972 9.456 135 HD3 ARG 22 2HD ARG 22 15.692 -4.669 7.884 136 HE ARG 22 HE ARG 22 15.546 -1.962 7.335 137 HH11 ARG 22 2HH2 ARG 22 17.373 -3.870 9.660 138 HH12 ARG 22 1HH2 ARG 22 18.708 -2.767 9.708 139 HH21 ARG 22 2HH1 ARG 22 17.307 -0.507 7.398 140 HH22 ARG 22 1HH1 ARG 22 18.670 -0.842 8.413 141 H THR 23 H THR 23 10.642 -3.298 9.899 142 HA THR 23 HA THR 23 11.658 -4.612 12.335 143 HB THR 23 HB THR 23 11.861 -2.331 13.264 144 HG1 THR 23 1HG THR 23 10.977 -1.563 10.577 145 HG21 THR 23 1HG2 THR 23 13.109 -1.317 10.973 146 HG22 THR 23 2HG2 THR 23 13.899 -2.334 12.202 147 HG23 THR 23 3HG2 THR 23 13.217 -3.078 10.736 148 H GLY 24 H GLY 24 9.026 -2.453 11.080 149 HA2 GLY 24 1HA GLY 24 6.770 -3.421 11.354 150 HA3 GLY 24 2HA GLY 24 7.227 -3.810 13.001 151 H LYS 25 H LYS 25 7.494 -0.893 10.831 152 HA LYS 25 HA LYS 25 5.710 0.621 12.390 153 HB2 LYS 25 1HB LYS 25 7.410 2.258 13.283 154 HB3 LYS 25 2HB LYS 25 7.332 0.714 14.107 155 HG2 LYS 25 1HG LYS 25 9.627 0.837 13.825 156 HG3 LYS 25 2HG LYS 25 9.222 0.048 12.314 157 HD2 LYS 25 1HD LYS 25 9.535 1.995 11.041 158 HD3 LYS 25 2HD LYS 25 9.166 3.063 12.381 159 HE2 LYS 25 1HE LYS 25 11.540 1.419 12.946 160 HE3 LYS 25 2HE LYS 25 11.738 2.337 11.466 161 HZ1 LYS 25 1HZ LYS 25 11.257 3.331 14.161 162 HZ2 LYS 25 2HZ LYS 25 12.387 3.798 13.079 163 HZ3 LYS 25 3HZ LYS 25 10.831 4.249 12.880 164 H CYS 26 H CYS 26 6.218 -0.169 9.626 165 HA CYS 26 HA CYS 26 7.121 2.340 8.454 166 HB2 CYS 26 1HB CYS 26 8.206 0.462 7.471 167 HB3 CYS 26 2HB CYS 26 6.706 -0.429 7.306 168 HG CYS 26 HG CYS 26 6.915 2.577 6.028 169 H SER 27 H SER 27 5.018 3.253 9.481 170 HA SER 27 HA SER 27 2.870 2.804 7.565 171 HB2 SER 27 1HB SER 27 1.208 2.891 9.290 172 HB3 SER 27 2HB SER 27 2.423 1.757 9.844 173 HG SER 27 HG SER 27 3.354 3.475 11.150 174 H PHE 28 H PHE 28 1.667 4.709 6.973 175 HA PHE 28 HA PHE 28 2.609 7.203 8.163 176 HB2 PHE 28 1HB PHE 28 2.322 7.815 5.473 177 HB3 PHE 28 2HB PHE 28 3.863 7.410 6.203 178 HD1 PHE 28 1HD PHE 28 4.599 4.961 6.146 179 HD2 PHE 28 2HD PHE 28 1.420 6.473 3.777 180 HE1 PHE 28 1HE PHE 28 4.813 2.993 4.603 181 HE2 PHE 28 2HE PHE 28 1.633 4.505 2.234 182 HZ PHE 28 HZ PHE 28 3.328 2.789 2.665 183 HA PRO 29 HA PRO 29 -1.532 8.396 7.733 184 HB2 PRO 29 1HB PRO 29 -1.399 11.088 7.283 185 HB3 PRO 29 2HB PRO 29 -1.200 10.371 8.869 186 HG2 PRO 29 1HG PRO 29 0.859 11.497 7.072 187 HG3 PRO 29 2HG PRO 29 0.961 11.175 8.791 188 HD2 PRO 29 1HD PRO 29 2.106 9.606 6.680 189 HD3 PRO 29 2HD PRO 29 2.108 9.223 8.390 190 H VAL 30 H VAL 30 -2.873 7.649 6.227 191 HA VAL 30 HA VAL 30 -2.700 9.034 3.663 192 HB VAL 30 HB VAL 30 -2.506 7.120 2.395 193 HG11 VAL 30 1HG1 VAL 30 -0.537 5.942 3.162 194 HG12 VAL 30 2HG1 VAL 30 -0.409 7.653 3.637 195 HG13 VAL 30 3HG1 VAL 30 -0.853 6.424 4.846 196 HG21 VAL 30 1HG2 VAL 30 -2.913 4.854 3.120 197 HG22 VAL 30 2HG2 VAL 30 -3.087 5.378 4.813 198 HG23 VAL 30 3HG2 VAL 30 -4.299 5.863 3.602 199 H LYS 31 H LYS 31 -4.707 7.854 2.278 200 HA LYS 31 HA LYS 31 -6.974 7.797 4.136 201 HB2 LYS 31 1HB LYS 31 -6.598 9.544 1.707 202 HB3 LYS 31 2HB LYS 31 -8.201 9.082 2.243 203 HG2 LYS 31 1HG LYS 31 -8.142 10.637 3.891 204 HG3 LYS 31 2HG LYS 31 -6.696 9.913 4.565 205 HD2 LYS 31 1HD LYS 31 -5.990 12.108 4.037 206 HD3 LYS 31 2HD LYS 31 -5.402 11.170 2.678 207 HE2 LYS 31 1HE LYS 31 -7.206 11.903 1.253 208 HE3 LYS 31 2HE LYS 31 -8.130 12.524 2.606 209 HZ1 LYS 31 1HZ LYS 31 -5.536 13.591 1.727 210 HZ2 LYS 31 2HZ LYS 31 -6.989 14.259 1.394 211 HZ3 LYS 31 3HZ LYS 31 -6.456 14.191 2.936 212 H TYR 32 H TYR 32 -8.357 6.116 3.802 213 HA TYR 32 HA TYR 32 -7.666 4.276 1.689 214 HB2 TYR 32 1HB TYR 32 -8.241 3.710 4.130 215 HB3 TYR 32 2HB TYR 32 -9.851 4.349 3.864 216 HD1 TYR 32 2HD TYR 32 -8.041 2.341 1.333 217 HD2 TYR 32 1HD TYR 32 -11.027 2.319 4.397 218 HE1 TYR 32 2HE TYR 32 -8.827 0.050 0.560 219 HE2 TYR 32 1HE TYR 32 -11.803 0.028 3.614 220 HH TYR 32 HH TYR 32 -10.337 -1.982 2.200 221 H LEU 33 H LEU 33 -8.424 4.713 -0.336 222 HA LEU 33 HA LEU 33 -10.855 6.165 -0.695 223 HB2 LEU 33 1HB LEU 33 -9.052 4.743 -2.658 224 HB3 LEU 33 2HB LEU 33 -10.400 5.776 -3.091 225 HG LEU 33 HG LEU 33 -7.971 6.692 -1.527 226 HD11 LEU 33 1HD1 LEU 33 -8.615 7.096 -4.461 227 HD12 LEU 33 2HD1 LEU 33 -7.226 7.774 -3.578 228 HD13 LEU 33 3HD1 LEU 33 -7.362 6.014 -3.805 229 HD21 LEU 33 1HD2 LEU 33 -9.043 8.595 -1.142 230 HD22 LEU 33 2HD2 LEU 33 -9.427 8.781 -2.870 231 HD23 LEU 33 3HD2 LEU 33 -10.520 7.859 -1.810 232 H GLY 34 H GLY 34 -9.773 2.741 -0.989 233 HA2 GLY 34 1HA GLY 34 -11.674 1.264 -0.164 234 HA3 GLY 34 2HA GLY 34 -12.579 1.974 -1.486 235 H HIS 35 H HIS 35 -12.766 -0.289 -2.295 236 HA HIS 35 HA HIS 35 -10.341 -1.013 -3.770 237 HB2 HIS 35 1HB HIS 35 -11.263 -3.411 -3.552 238 HB3 HIS 35 2HB HIS 35 -10.413 -2.701 -2.194 239 HD1 HIS 35 1HD HIS 35 -11.562 -3.908 -0.282 240 HD2 HIS 35 2HD HIS 35 -14.268 -2.089 -2.922 241 HE1 HIS 35 1HE HIS 35 -13.863 -4.107 0.803 242 H VAL 36 H VAL 36 -10.729 -2.042 -5.872 243 HA VAL 36 HA VAL 36 -13.450 -1.915 -6.855 244 HB VAL 36 HB VAL 36 -12.993 -0.411 -8.631 245 HG11 VAL 36 1HG1 VAL 36 -12.671 1.664 -7.468 246 HG12 VAL 36 2HG1 VAL 36 -13.526 0.554 -6.370 247 HG13 VAL 36 3HG1 VAL 36 -11.785 0.855 -6.152 248 HG21 VAL 36 1HG2 VAL 36 -10.719 -1.045 -9.183 249 HG22 VAL 36 2HG2 VAL 36 -10.790 0.712 -8.904 250 HG23 VAL 36 3HG2 VAL 36 -10.118 -0.362 -7.653 251 H GLU 37 H GLU 37 -13.713 -3.109 -8.866 252 HA GLU 37 HA GLU 37 -11.729 -5.174 -9.034 253 HB2 GLU 37 1HB GLU 37 -14.400 -5.331 -9.094 254 HB3 GLU 37 2HB GLU 37 -14.163 -5.079 -10.812 255 HG2 GLU 37 1HG GLU 37 -12.355 -6.989 -10.606 256 HG3 GLU 37 2HG GLU 37 -13.146 -7.361 -9.088 257 H VAL 38 H VAL 38 -9.988 -4.931 -10.363 258 HA VAL 38 HA VAL 38 -9.893 -2.941 -12.345 259 HB VAL 38 HB VAL 38 -7.762 -4.099 -12.958 260 HG11 VAL 38 1HG1 VAL 38 -6.706 -3.728 -10.648 261 HG12 VAL 38 2HG1 VAL 38 -7.572 -2.356 -11.381 262 HG13 VAL 38 3HG1 VAL 38 -8.348 -3.314 -10.097 263 HG21 VAL 38 1HG2 VAL 38 -7.352 -5.810 -10.793 264 HG22 VAL 38 2HG2 VAL 38 -8.983 -6.224 -11.375 265 HG23 VAL 38 3HG2 VAL 38 -7.598 -6.282 -12.492 266 H ASP 39 H ASP 39 -8.760 -4.099 -14.608 267 HA ASP 39 HA ASP 39 -10.892 -5.862 -15.522 268 HB2 ASP 39 1HB ASP 39 -10.448 -3.201 -16.347 269 HB3 ASP 39 2HB ASP 39 -9.715 -4.157 -17.619 270 H GLU 40 H GLU 40 -7.565 -4.503 -15.987 271 HA GLU 40 HA GLU 40 -6.878 -6.838 -17.558 272 HB2 GLU 40 1HB GLU 40 -5.096 -4.444 -16.974 273 HB3 GLU 40 2HB GLU 40 -4.927 -5.614 -18.268 274 HG2 GLU 40 1HG GLU 40 -7.577 -4.411 -18.394 275 HG3 GLU 40 2HG GLU 40 -6.367 -3.145 -18.325 276 H SER 41 H SER 41 -6.402 -5.298 -14.408 277 HA SER 41 HA SER 41 -5.613 -6.127 -12.547 278 HB2 SER 41 1HB SER 41 -5.882 -8.499 -14.100 279 HB3 SER 41 2HB SER 41 -4.292 -8.588 -13.369 280 HG SER 41 HG SER 41 -5.765 -7.771 -11.370 281 H ARG 42 H ARG 42 -3.984 -5.112 -15.179 282 HA ARG 42 HA ARG 42 -1.606 -4.740 -13.687 283 HB2 ARG 42 1HB ARG 42 -0.057 -5.782 -15.305 284 HB3 ARG 42 2HB ARG 42 -1.169 -6.990 -14.692 285 HG2 ARG 42 1HG ARG 42 -1.460 -7.472 -16.920 286 HG3 ARG 42 2HG ARG 42 -2.604 -6.146 -16.851 287 HD2 ARG 42 1HD ARG 42 -1.352 -5.261 -18.555 288 HD3 ARG 42 2HD ARG 42 -0.265 -4.754 -17.277 289 HE ARG 42 HE ARG 42 0.538 -7.361 -17.833 290 HH11 ARG 42 2HH2 ARG 42 0.136 -4.433 -19.743 291 HH12 ARG 42 1HH2 ARG 42 1.373 -4.852 -20.880 292 HH21 ARG 42 2HH1 ARG 42 2.170 -7.914 -19.333 293 HH22 ARG 42 1HH1 ARG 42 2.538 -6.846 -20.646 294 H GLY 43 H GLY 43 -0.803 -2.713 -14.232 295 HA2 GLY 43 1HA GLY 43 -0.263 -1.520 -16.508 296 HA3 GLY 43 2HA GLY 43 -2.010 -1.382 -16.542 297 H MET 44 H MET 44 0.641 0.387 -15.874 298 HA MET 44 HA MET 44 0.253 1.367 -13.327 299 HB2 MET 44 1HB MET 44 1.284 2.809 -15.835 300 HB3 MET 44 2HB MET 44 1.589 3.326 -14.189 301 HG2 MET 44 1HG MET 44 3.155 1.661 -13.801 302 HG3 MET 44 2HG MET 44 2.315 0.485 -14.792 303 HE1 MET 44 1HE MET 44 3.119 -0.172 -17.146 304 HE2 MET 44 2HE MET 44 1.928 1.116 -17.447 305 HE3 MET 44 3HE MET 44 3.467 1.101 -18.340 306 H HIS 45 H HIS 45 -1.423 2.042 -16.384 307 HA HIS 45 HA HIS 45 -2.648 4.425 -15.365 308 HB2 HIS 45 1HB HIS 45 -3.841 4.441 -17.501 309 HB3 HIS 45 2HB HIS 45 -2.111 4.273 -17.719 310 HD1 HIS 45 1HD HIS 45 -1.222 2.044 -18.724 311 HD2 HIS 45 2HD HIS 45 -5.387 2.167 -18.237 312 HE1 HIS 45 1HE HIS 45 -2.152 0.054 -20.022 313 H ILE 46 H ILE 46 -3.073 1.066 -14.940 314 HA ILE 46 HA ILE 46 -5.928 1.082 -14.806 315 HB ILE 46 HB ILE 46 -3.972 -0.947 -13.727 316 HG12 ILE 46 1HG1 ILE 46 -3.736 -0.257 -16.214 317 HG13 ILE 46 2HG1 ILE 46 -3.811 -1.958 -15.799 318 HG21 ILE 46 1HG2 ILE 46 -5.870 -2.513 -14.103 319 HG22 ILE 46 2HG2 ILE 46 -6.184 -1.284 -12.854 320 HG23 ILE 46 3HG2 ILE 46 -6.903 -1.111 -14.473 321 HD11 ILE 46 1HD1 ILE 46 -5.295 -1.280 -17.747 322 HD12 ILE 46 2HD1 ILE 46 -6.155 -2.098 -16.421 323 HD13 ILE 46 3HD1 ILE 46 -6.265 -0.330 -16.596 324 H CYS 47 H CYS 47 -3.413 0.468 -12.251 325 HA CYS 47 HA CYS 47 -4.959 0.671 -10.085 326 HB2 CYS 47 1HB CYS 47 -2.973 1.464 -8.848 327 HB3 CYS 47 2HB CYS 47 -2.599 0.144 -9.939 328 HG CYS 47 HG CYS 47 -1.722 3.245 -9.875 329 H GLU 48 H GLU 48 -3.588 3.370 -12.058 330 HA GLU 48 HA GLU 48 -4.415 5.420 -10.404 331 HB2 GLU 48 1HB GLU 48 -3.542 5.134 -13.242 332 HB3 GLU 48 2HB GLU 48 -4.475 6.576 -12.892 333 HG2 GLU 48 1HG GLU 48 -2.918 7.240 -11.122 334 HG3 GLU 48 2HG GLU 48 -2.065 5.713 -11.229 335 H ASP 49 H ASP 49 -5.954 4.271 -13.503 336 HA ASP 49 HA ASP 49 -8.131 5.763 -13.534 337 HB2 ASP 49 1HB ASP 49 -7.369 3.157 -14.528 338 HB3 ASP 49 2HB ASP 49 -9.039 3.065 -14.005 339 H ALA 50 H ALA 50 -7.487 2.899 -11.444 340 HA ALA 50 HA ALA 50 -9.996 2.447 -10.425 341 HB1 ALA 50 1HB ALA 50 -7.471 2.334 -8.755 342 HB2 ALA 50 2HB ALA 50 -8.879 1.245 -8.724 343 HB3 ALA 50 3HB ALA 50 -7.748 1.201 -10.099 344 H VAL 51 H VAL 51 -7.417 4.655 -9.120 345 HA VAL 51 HA VAL 51 -8.647 5.649 -6.959 346 HB VAL 51 HB VAL 51 -7.089 7.148 -9.073 347 HG11 VAL 51 1HG1 VAL 51 -7.111 9.011 -7.822 348 HG12 VAL 51 2HG1 VAL 51 -8.512 8.289 -6.994 349 HG13 VAL 51 3HG1 VAL 51 -6.880 8.104 -6.308 350 HG21 VAL 51 1HG2 VAL 51 -5.408 6.755 -6.947 351 HG22 VAL 51 2HG2 VAL 51 -6.369 5.257 -6.924 352 HG23 VAL 51 3HG2 VAL 51 -5.480 5.722 -8.394 353 H LYS 52 H LYS 52 -9.004 7.135 -10.264 354 HA LYS 52 HA LYS 52 -10.919 8.953 -9.670 355 HB2 LYS 52 1HB LYS 52 -10.431 7.308 -12.156 356 HB3 LYS 52 2HB LYS 52 -11.678 8.537 -12.097 357 HG2 LYS 52 1HG LYS 52 -10.053 10.032 -12.640 358 HG3 LYS 52 2HG LYS 52 -9.483 9.863 -10.992 359 HD2 LYS 52 1HD LYS 52 -7.648 8.637 -11.613 360 HD3 LYS 52 2HD LYS 52 -8.554 7.681 -12.769 361 HE2 LYS 52 1HE LYS 52 -8.560 10.171 -13.995 362 HE3 LYS 52 2HE LYS 52 -7.004 10.186 -13.190 363 HZ1 LYS 52 1HZ LYS 52 -6.623 9.176 -15.213 364 HZ2 LYS 52 2HZ LYS 52 -6.722 7.902 -14.197 365 HZ3 LYS 52 3HZ LYS 52 -7.982 8.271 -15.169 366 H ARG 53 H ARG 53 -11.485 5.502 -10.649 367 HA ARG 53 HA ARG 53 -14.130 5.442 -10.661 368 HB2 ARG 53 1HB ARG 53 -12.122 3.542 -10.582 369 HB3 ARG 53 2HB ARG 53 -12.934 3.216 -9.063 370 HG2 ARG 53 1HG ARG 53 -15.023 2.752 -10.137 371 HG3 ARG 53 2HG ARG 53 -14.534 3.533 -11.627 372 HD2 ARG 53 1HD ARG 53 -12.586 1.597 -11.433 373 HD3 ARG 53 2HD ARG 53 -13.917 0.779 -10.638 374 HE ARG 53 HE ARG 53 -13.696 1.313 -13.463 375 HH11 ARG 53 2HH2 ARG 53 -16.065 1.169 -10.865 376 HH12 ARG 53 1HH2 ARG 53 -17.385 0.784 -11.918 377 HH21 ARG 53 2HH1 ARG 53 -15.437 0.805 -14.852 378 HH22 ARG 53 1HH1 ARG 53 -17.026 0.575 -14.201 379 H LEU 54 H LEU 54 -12.060 5.071 -7.692 380 HA LEU 54 HA LEU 54 -14.287 4.968 -5.945 381 HB2 LEU 54 1HB LEU 54 -11.384 5.565 -5.362 382 HB3 LEU 54 2HB LEU 54 -12.609 5.135 -4.186 383 HG LEU 54 HG LEU 54 -11.868 3.294 -6.463 384 HD11 LEU 54 1HD1 LEU 54 -10.687 3.105 -3.691 385 HD12 LEU 54 2HD1 LEU 54 -10.222 2.227 -5.168 386 HD13 LEU 54 3HD1 LEU 54 -9.875 3.967 -5.021 387 HD21 LEU 54 1HD2 LEU 54 -13.782 2.399 -5.627 388 HD22 LEU 54 2HD2 LEU 54 -12.625 1.668 -4.489 389 HD23 LEU 54 3HD2 LEU 54 -13.550 3.112 -4.013 390 H LYS 55 H LYS 55 -12.360 7.536 -7.435 391 HA LYS 55 HA LYS 55 -13.201 9.540 -5.588 392 HB2 LYS 55 1HB LYS 55 -11.361 9.289 -7.795 393 HB3 LYS 55 2HB LYS 55 -12.355 10.714 -8.024 394 HG2 LYS 55 1HG LYS 55 -11.281 11.822 -6.359 395 HG3 LYS 55 2HG LYS 55 -11.577 10.520 -5.224 396 HD2 LYS 55 1HD LYS 55 -9.549 9.419 -5.739 397 HD3 LYS 55 2HD LYS 55 -9.423 10.165 -7.319 398 HE2 LYS 55 1HE LYS 55 -8.981 12.383 -6.227 399 HE3 LYS 55 2HE LYS 55 -9.086 11.622 -4.652 400 HZ1 LYS 55 1HZ LYS 55 -6.823 11.886 -5.807 401 HZ2 LYS 55 2HZ LYS 55 -7.143 10.509 -4.988 402 HZ3 LYS 55 3HZ LYS 55 -7.240 10.531 -6.618 403 H ALA 56 H ALA 56 -14.767 7.767 -8.037 404 HA ALA 56 HA ALA 56 -16.722 9.939 -8.371 405 HB1 ALA 56 1HB ALA 56 -15.342 8.222 -10.291 406 HB2 ALA 56 2HB ALA 56 -17.111 8.071 -10.427 407 HB3 ALA 56 3HB ALA 56 -16.340 9.669 -10.574 408 H THR 57 H THR 57 -16.019 7.053 -6.797 409 HA THR 57 HA THR 57 -18.556 5.759 -7.112 410 HB THR 57 HB THR 57 -16.158 4.808 -6.511 411 HG1 THR 57 1HG THR 57 -17.593 3.155 -6.200 412 HG21 THR 57 1HG2 THR 57 -17.110 4.806 -3.694 413 HG22 THR 57 2HG2 THR 57 -15.450 4.943 -4.324 414 HG23 THR 57 3HG2 THR 57 -16.491 6.385 -4.237 415 H GLY 58 H GLY 58 -17.203 8.270 -5.026 416 HA2 GLY 58 1HA GLY 58 -18.599 9.763 -3.890 417 HA3 GLY 58 2HA GLY 58 -19.853 8.543 -3.795 418 H LYS 59 H LYS 59 -18.044 6.342 -2.942 419 HA LYS 59 HA LYS 59 -18.346 6.367 -0.287 420 HB2 LYS 59 1HB LYS 59 -17.536 4.481 -1.723 421 HB3 LYS 59 2HB LYS 59 -15.937 5.197 -1.708 422 HG2 LYS 59 1HG LYS 59 -16.448 5.200 0.977 423 HG3 LYS 59 2HG LYS 59 -17.429 3.827 0.503 424 HD2 LYS 59 1HD LYS 59 -14.456 4.189 -0.107 425 HD3 LYS 59 2HD LYS 59 -15.127 3.115 1.104 426 HE2 LYS 59 1HE LYS 59 -15.719 2.921 -1.889 427 HE3 LYS 59 2HE LYS 59 -14.530 1.944 -1.051 428 HZ1 LYS 59 1HZ LYS 59 -16.387 1.226 0.412 429 HZ2 LYS 59 2HZ LYS 59 -17.428 1.964 -0.607 430 HZ3 LYS 59 3HZ LYS 59 -16.509 0.723 -1.137 431 H LYS 60 H LYS 60 -15.506 7.724 -2.075 432 HA LYS 60 HA LYS 60 -14.253 9.493 -1.518 433 HB2 LYS 60 1HB LYS 60 -16.386 9.867 0.224 434 HB3 LYS 60 2HB LYS 60 -14.998 9.836 1.292 435 HG2 LYS 60 1HG LYS 60 -14.291 11.383 -1.047 436 HG3 LYS 60 2HG LYS 60 -15.844 11.955 -0.468 437 HD2 LYS 60 1HD LYS 60 -14.968 12.781 1.500 438 HD3 LYS 60 2HD LYS 60 -13.828 11.462 1.674 439 HE2 LYS 60 1HE LYS 60 -12.837 13.798 1.170 440 HE3 LYS 60 2HE LYS 60 -12.242 12.464 0.201 441 HZ1 LYS 60 1HZ LYS 60 -12.964 14.536 -0.995 442 HZ2 LYS 60 2HZ LYS 60 -13.539 13.126 -1.585 443 HZ3 LYS 60 3HZ LYS 60 -14.505 14.091 -0.690 444 H ALA 61 H ALA 61 -12.784 9.984 0.858 445 HA ALA 61 HA ALA 61 -11.454 7.380 1.177 446 HB1 ALA 61 1HB ALA 61 -9.439 8.393 0.837 447 HB2 ALA 61 2HB ALA 61 -10.425 9.600 -0.023 448 HB3 ALA 61 3HB ALA 61 -9.935 9.890 1.663 449 H VAL 62 H VAL 62 -10.690 6.824 3.284 450 HA VAL 62 HA VAL 62 -12.057 8.338 5.386 451 HB VAL 62 HB VAL 62 -11.249 5.477 5.011 452 HG11 VAL 62 1HG1 VAL 62 -11.860 6.762 7.696 453 HG12 VAL 62 2HG1 VAL 62 -11.668 5.019 7.386 454 HG13 VAL 62 3HG1 VAL 62 -10.283 6.118 7.178 455 HG21 VAL 62 1HG2 VAL 62 -13.532 5.018 5.581 456 HG22 VAL 62 2HG2 VAL 62 -13.797 6.693 6.123 457 HG23 VAL 62 3HG2 VAL 62 -13.532 6.347 4.397 458 H LYS 63 H LYS 63 -10.875 8.520 7.506 459 HA LYS 63 HA LYS 63 -8.105 9.215 6.930 460 HB2 LYS 63 1HB LYS 63 -10.102 10.028 9.033 461 HB3 LYS 63 2HB LYS 63 -8.388 10.276 9.297 462 HG2 LYS 63 1HG LYS 63 -9.194 11.134 6.600 463 HG3 LYS 63 2HG LYS 63 -10.123 11.956 7.838 464 HD2 LYS 63 1HD LYS 63 -8.225 13.342 7.610 465 HD3 LYS 63 2HD LYS 63 -7.829 12.378 9.018 466 HE2 LYS 63 1HE LYS 63 -6.844 10.761 7.015 467 HE3 LYS 63 2HE LYS 63 -6.612 12.339 6.291 468 HZ1 LYS 63 1HZ LYS 63 -4.764 12.265 7.518 469 HZ2 LYS 63 2HZ LYS 63 -5.727 12.792 8.728 470 HZ3 LYS 63 3HZ LYS 63 -5.355 11.206 8.612 471 H ALA 64 H ALA 64 -6.854 7.383 7.034 472 HA ALA 64 HA ALA 64 -6.699 6.142 9.652 473 HB1 ALA 64 1HB ALA 64 -7.858 4.320 9.019 474 HB2 ALA 64 2HB ALA 64 -7.976 4.907 7.343 475 HB3 ALA 64 3HB ALA 64 -6.551 3.975 7.861 476 H VAL 65 H VAL 65 -4.715 4.600 9.675 477 HA VAL 65 HA VAL 65 -2.625 5.929 8.112 478 HB VAL 65 HB VAL 65 -2.609 4.396 10.713 479 HG11 VAL 65 1HG1 VAL 65 -0.102 5.376 10.575 480 HG12 VAL 65 2HG1 VAL 65 -0.542 3.741 10.027 481 HG13 VAL 65 3HG1 VAL 65 -0.391 5.064 8.846 482 HG21 VAL 65 1HG2 VAL 65 -1.567 7.185 10.353 483 HG22 VAL 65 2HG2 VAL 65 -3.326 6.923 10.437 484 HG23 VAL 65 3HG2 VAL 65 -2.284 6.410 11.786 485 H LEU 66 H LEU 66 -1.351 4.797 6.677 486 HA LEU 66 HA LEU 66 -2.204 2.051 6.192 487 HB2 LEU 66 1HB LEU 66 -2.382 3.337 4.263 488 HB3 LEU 66 2HB LEU 66 -0.875 4.182 4.555 489 HG LEU 66 HG LEU 66 0.421 2.237 3.947 490 HD11 LEU 66 1HD1 LEU 66 -1.443 0.659 4.901 491 HD12 LEU 66 2HD1 LEU 66 -2.018 0.656 3.216 492 HD13 LEU 66 3HD1 LEU 66 -0.368 0.107 3.594 493 HD21 LEU 66 1HD2 LEU 66 -1.516 3.470 2.146 494 HD22 LEU 66 2HD2 LEU 66 0.217 3.134 1.917 495 HD23 LEU 66 3HD2 LEU 66 -0.986 1.863 1.591 496 H TRP 67 H TRP 67 -1.060 0.430 7.086 497 HA TRP 67 HA TRP 67 1.699 1.003 7.862 498 HB2 TRP 67 1HB TRP 67 -0.188 -1.222 8.657 499 HB3 TRP 67 2HB TRP 67 1.474 -1.078 9.195 500 HD1 TRP 67 HD TRP 67 -1.758 1.127 9.363 501 HE1 TRP 67 1HE TRP 67 -1.853 2.447 11.647 502 HE3 TRP 67 3HE TRP 67 2.735 -0.503 11.097 503 HZ2 TRP 67 2HZ TRP 67 -0.078 2.656 13.871 504 HZ3 TRP 67 3HZ TRP 67 3.480 0.306 13.334 505 HH2 TRP 67 HH TRP 67 2.154 1.832 14.707 506 H VAL 68 H VAL 68 3.435 -0.240 7.041 507 HA VAL 68 HA VAL 68 2.701 -2.149 4.934 508 HB VAL 68 HB VAL 68 5.072 -0.299 4.785 509 HG11 VAL 68 1HG1 VAL 68 5.359 -2.075 3.287 510 HG12 VAL 68 2HG1 VAL 68 3.630 -2.130 2.868 511 HG13 VAL 68 3HG1 VAL 68 4.646 -0.792 2.280 512 HG21 VAL 68 1HG2 VAL 68 2.225 0.323 4.313 513 HG22 VAL 68 2HG2 VAL 68 3.610 1.407 4.588 514 HG23 VAL 68 3HG2 VAL 68 3.311 0.739 2.965 515 H SER 69 H SER 69 3.560 -4.140 5.248 516 HA SER 69 HA SER 69 6.072 -4.289 6.665 517 HB2 SER 69 1HB SER 69 3.577 -5.830 7.511 518 HB3 SER 69 2HB SER 69 5.188 -6.127 8.135 519 HG SER 69 HG SER 69 3.456 -4.456 9.158 520 H ALA 70 H ALA 70 7.014 -6.587 6.492 521 HA ALA 70 HA ALA 70 7.051 -7.414 3.869 522 HB1 ALA 70 1HB ALA 70 8.699 -7.878 5.762 523 HB2 ALA 70 2HB ALA 70 7.601 -9.180 6.279 524 HB3 ALA 70 3HB ALA 70 8.365 -9.246 4.673 525 H ASP 71 H ASP 71 4.925 -8.377 6.585 526 HA ASP 71 HA ASP 71 3.875 -10.630 5.357 527 HB2 ASP 71 1HB ASP 71 3.226 -8.860 7.644 528 HB3 ASP 71 2HB ASP 71 1.804 -9.591 6.926 529 H GLY 72 H GLY 72 3.520 -7.210 4.775 530 HA2 GLY 72 1HA GLY 72 2.360 -6.969 2.505 531 HA3 GLY 72 2HA GLY 72 0.958 -7.576 3.363 532 H LEU 73 H LEU 73 -0.426 -5.906 3.768 533 HA LEU 73 HA LEU 73 0.765 -3.485 4.926 534 HB2 LEU 73 1HB LEU 73 -1.694 -3.275 3.264 535 HB3 LEU 73 2HB LEU 73 -0.448 -2.088 3.591 536 HG LEU 73 HG LEU 73 0.132 -4.505 1.885 537 HD11 LEU 73 1HD1 LEU 73 -0.547 -3.386 -0.092 538 HD12 LEU 73 2HD1 LEU 73 -1.915 -3.291 1.043 539 HD13 LEU 73 3HD1 LEU 73 -0.871 -1.873 0.786 540 HD21 LEU 73 1HD2 LEU 73 2.149 -3.600 1.731 541 HD22 LEU 73 2HD2 LEU 73 1.446 -2.111 1.054 542 HD23 LEU 73 3HD2 LEU 73 1.643 -2.281 2.814 543 H ARG 74 H ARG 74 -1.182 -2.133 5.976 544 HA ARG 74 HA ARG 74 -3.221 -3.812 7.018 545 HB2 ARG 74 1HB ARG 74 -0.800 -3.083 8.646 546 HB3 ARG 74 2HB ARG 74 -2.347 -2.940 9.457 547 HG2 ARG 74 1HG ARG 74 -2.529 -5.411 8.120 548 HG3 ARG 74 2HG ARG 74 -0.867 -5.365 8.674 549 HD2 ARG 74 1HD ARG 74 -1.461 -5.410 10.920 550 HD3 ARG 74 2HD ARG 74 -2.926 -4.483 10.667 551 HE ARG 74 HE ARG 74 -3.251 -7.004 9.367 552 HH11 ARG 74 2HH2 ARG 74 -2.970 -5.689 12.619 553 HH12 ARG 74 1HH2 ARG 74 -3.896 -6.957 13.349 554 HH21 ARG 74 2HH1 ARG 74 -4.472 -8.678 10.330 555 HH22 ARG 74 1HH1 ARG 74 -4.756 -8.669 12.039 556 H VAL 75 H VAL 75 -4.882 -2.372 6.574 557 HA VAL 75 HA VAL 75 -4.442 0.453 6.867 558 HB VAL 75 HB VAL 75 -6.894 -1.164 6.142 559 HG11 VAL 75 1HG1 VAL 75 -7.465 1.069 7.007 560 HG12 VAL 75 2HG1 VAL 75 -6.359 1.810 5.826 561 HG13 VAL 75 3HG1 VAL 75 -7.804 0.935 5.265 562 HG21 VAL 75 1HG2 VAL 75 -5.635 -1.585 4.305 563 HG22 VAL 75 2HG2 VAL 75 -6.129 0.062 3.847 564 HG23 VAL 75 3HG2 VAL 75 -4.542 -0.213 4.603 565 H VAL 76 H VAL 76 -4.184 1.064 8.998 566 HA VAL 76 HA VAL 76 -5.994 -0.043 10.971 567 HB VAL 76 HB VAL 76 -3.477 1.561 10.963 568 HG11 VAL 76 1HG1 VAL 76 -5.555 1.589 13.154 569 HG12 VAL 76 2HG1 VAL 76 -3.823 1.799 13.509 570 HG13 VAL 76 3HG1 VAL 76 -4.659 2.951 12.440 571 HG21 VAL 76 1HG2 VAL 76 -4.190 -0.655 12.867 572 HG22 VAL 76 2HG2 VAL 76 -3.785 -1.034 11.176 573 HG23 VAL 76 3HG2 VAL 76 -2.604 -0.190 12.205 574 H ASP 77 H ASP 77 -7.301 1.357 12.379 575 HA ASP 77 HA ASP 77 -8.313 3.580 10.820 576 HB2 ASP 77 1HB ASP 77 -9.870 1.757 11.621 577 HB3 ASP 77 2HB ASP 77 -9.486 2.190 13.275 578 H GLU 78 H GLU 78 -7.178 5.462 11.410 579 HA GLU 78 HA GLU 78 -5.733 5.946 13.563 580 HB2 GLU 78 1HB GLU 78 -7.509 7.786 11.941 581 HB3 GLU 78 2HB GLU 78 -6.576 8.430 13.277 582 HG2 GLU 78 1HG GLU 78 -4.724 6.821 11.898 583 HG3 GLU 78 2HG GLU 78 -5.665 7.553 10.614 584 H LYS 79 H LYS 79 -9.273 5.807 13.439 585 HA LYS 79 HA LYS 79 -10.072 7.215 15.585 586 HB2 LYS 79 1HB LYS 79 -11.346 5.636 13.941 587 HB3 LYS 79 2HB LYS 79 -11.096 4.415 15.172 588 HG2 LYS 79 1HG LYS 79 -12.106 7.071 16.135 589 HG3 LYS 79 2HG LYS 79 -13.223 6.127 15.169 590 HD2 LYS 79 1HD LYS 79 -13.522 4.559 16.813 591 HD3 LYS 79 2HD LYS 79 -11.816 4.508 17.212 592 HE2 LYS 79 1HE LYS 79 -12.569 5.515 19.153 593 HE3 LYS 79 2HE LYS 79 -12.353 6.968 18.197 594 HZ1 LYS 79 1HZ LYS 79 -14.643 6.226 19.341 595 HZ2 LYS 79 2HZ LYS 79 -14.536 7.274 18.093 596 HZ3 LYS 79 3HZ LYS 79 -14.883 5.703 17.813 597 H THR 80 H THR 80 -9.498 3.659 15.976 598 HA THR 80 HA THR 80 -8.234 4.305 18.560 599 HB THR 80 HB THR 80 -10.624 3.295 18.571 600 HG1 THR 80 1HG THR 80 -8.257 1.920 19.630 601 HG21 THR 80 1HG2 THR 80 -10.577 1.557 16.917 602 HG22 THR 80 2HG2 THR 80 -8.972 0.995 17.441 603 HG23 THR 80 3HG2 THR 80 -10.399 0.689 18.460 604 H LYS 81 H LYS 81 -7.242 3.775 15.648 605 HA LYS 81 HA LYS 81 -5.430 2.858 14.779 606 HB2 LYS 81 1HB LYS 81 -4.906 2.440 17.691 607 HB3 LYS 81 2HB LYS 81 -3.907 1.562 16.551 608 HG2 LYS 81 1HG LYS 81 -4.380 4.574 16.394 609 HG3 LYS 81 2HG LYS 81 -3.014 3.856 17.224 610 HD2 LYS 81 1HD LYS 81 -2.593 2.595 14.943 611 HD3 LYS 81 2HD LYS 81 -3.644 3.817 14.256 612 HE2 LYS 81 1HE LYS 81 -1.817 5.229 15.933 613 HE3 LYS 81 2HE LYS 81 -0.851 4.050 15.067 614 HZ1 LYS 81 1HZ LYS 81 -1.212 6.191 13.909 615 HZ2 LYS 81 2HZ LYS 81 -1.631 4.881 13.029 616 HZ3 LYS 81 3HZ LYS 81 -2.787 5.800 13.726 617 H ASP 82 H ASP 82 -8.108 1.333 15.705 618 HA ASP 82 HA ASP 82 -7.570 -1.308 15.927 619 HB2 ASP 82 1HB ASP 82 -9.828 0.146 15.760 620 HB3 ASP 82 2HB ASP 82 -9.812 -0.429 14.105 621 H LEU 83 H LEU 83 -8.635 -2.784 13.813 622 HA LEU 83 HA LEU 83 -6.807 -2.133 11.608 623 HB2 LEU 83 1HB LEU 83 -6.429 -4.214 13.052 624 HB3 LEU 83 2HB LEU 83 -7.863 -4.869 12.287 625 HG LEU 83 HG LEU 83 -5.491 -5.430 11.357 626 HD11 LEU 83 1HD1 LEU 83 -7.355 -6.340 10.271 627 HD12 LEU 83 2HD1 LEU 83 -7.935 -4.747 9.728 628 HD13 LEU 83 3HD1 LEU 83 -6.480 -5.462 8.994 629 HD21 LEU 83 1HD2 LEU 83 -4.807 -3.032 11.192 630 HD22 LEU 83 2HD2 LEU 83 -4.617 -3.957 9.683 631 HD23 LEU 83 3HD2 LEU 83 -5.988 -2.837 9.874 632 H ILE 84 H ILE 84 -7.741 -1.507 9.741 633 HA ILE 84 HA ILE 84 -10.609 -1.878 9.496 634 HB ILE 84 HB ILE 84 -8.680 -0.322 7.770 635 HG12 ILE 84 1HG1 ILE 84 -10.467 0.713 9.989 636 HG13 ILE 84 2HG1 ILE 84 -8.749 0.418 10.167 637 HG21 ILE 84 1HG2 ILE 84 -11.244 -1.121 7.176 638 HG22 ILE 84 2HG2 ILE 84 -11.492 0.500 7.870 639 HG23 ILE 84 3HG2 ILE 84 -10.401 0.284 6.480 640 HD11 ILE 84 1HD1 ILE 84 -9.606 2.829 9.500 641 HD12 ILE 84 2HD1 ILE 84 -8.147 2.170 8.724 642 HD13 ILE 84 3HD1 ILE 84 -9.706 2.131 7.866 643 H VAL 85 H VAL 85 -7.549 -2.609 7.701 644 HA VAL 85 HA VAL 85 -8.894 -4.937 6.596 645 HB VAL 85 HB VAL 85 -7.621 -2.739 4.959 646 HG11 VAL 85 1HG1 VAL 85 -8.503 -5.504 4.061 647 HG12 VAL 85 2HG1 VAL 85 -7.965 -4.183 2.996 648 HG13 VAL 85 3HG1 VAL 85 -6.827 -4.913 4.154 649 HG21 VAL 85 1HG2 VAL 85 -9.970 -3.246 3.752 650 HG22 VAL 85 2HG2 VAL 85 -10.403 -3.701 5.418 651 HG23 VAL 85 3HG2 VAL 85 -9.794 -2.064 5.072 652 H ASP 86 H ASP 86 -7.357 -6.563 5.812 653 HA ASP 86 HA ASP 86 -4.657 -6.029 6.763 654 HB2 ASP 86 1HB ASP 86 -5.428 -7.465 8.455 655 HB3 ASP 86 2HB ASP 86 -6.525 -8.312 7.383 656 H GLN 87 H GLN 87 -3.871 -5.753 4.582 657 HA GLN 87 HA GLN 87 -4.457 -7.910 2.741 658 HB2 GLN 87 1HB GLN 87 -4.746 -5.528 2.007 659 HB3 GLN 87 2HB GLN 87 -3.033 -5.255 2.258 660 HG2 GLN 87 1HG GLN 87 -3.374 -5.723 -0.104 661 HG3 GLN 87 2HG GLN 87 -2.529 -7.088 0.597 662 HE21 GLN 87 1HE2 GLN 87 -3.387 -8.093 -1.385 663 HE22 GLN 87 2HE2 GLN 87 -4.951 -8.837 -1.343 664 H THR 88 H THR 88 -2.849 -9.274 1.868 665 HA THR 88 HA THR 88 -0.276 -9.133 3.282 666 HB THR 88 HB THR 88 -1.319 -11.223 3.743 667 HG1 THR 88 1HG THR 88 0.120 -12.580 2.563 668 HG21 THR 88 1HG2 THR 88 -3.214 -11.421 2.328 669 HG22 THR 88 2HG2 THR 88 -2.278 -11.021 0.868 670 HG23 THR 88 3HG2 THR 88 -2.102 -12.621 1.627 671 H ILE 89 H ILE 89 1.665 -9.036 2.219 672 HA ILE 89 HA ILE 89 1.779 -7.754 -0.187 673 HB ILE 89 HB ILE 89 3.544 -8.337 1.685 674 HG12 ILE 89 1HG1 ILE 89 5.344 -7.679 0.004 675 HG13 ILE 89 2HG1 ILE 89 4.097 -7.723 -1.226 676 HG21 ILE 89 1HG2 ILE 89 3.535 -10.778 0.932 677 HG22 ILE 89 2HG2 ILE 89 4.458 -10.225 -0.486 678 HG23 ILE 89 3HG2 ILE 89 5.119 -9.996 1.151 679 HD11 ILE 89 1HD1 ILE 89 2.792 -6.011 -0.075 680 HD12 ILE 89 2HD1 ILE 89 3.884 -6.068 1.329 681 HD13 ILE 89 3HD1 ILE 89 4.468 -5.431 -0.227 682 H GLU 90 H GLU 90 1.329 -11.202 0.501 683 HA GLU 90 HA GLU 90 2.138 -12.289 -1.850 684 HB2 GLU 90 1HB GLU 90 -0.174 -13.009 -0.008 685 HB3 GLU 90 2HB GLU 90 0.267 -14.010 -1.378 686 HG2 GLU 90 1HG GLU 90 2.138 -13.227 0.908 687 HG3 GLU 90 2HG GLU 90 1.357 -14.785 0.730 688 H LYS 91 H LYS 91 -1.338 -11.504 -1.090 689 HA LYS 91 HA LYS 91 -2.372 -11.808 -3.561 690 HB2 LYS 91 1HB LYS 91 -3.046 -10.126 -1.200 691 HB3 LYS 91 2HB LYS 91 -3.845 -9.717 -2.705 692 HG2 LYS 91 1HG LYS 91 -5.294 -11.418 -2.324 693 HG3 LYS 91 2HG LYS 91 -3.974 -12.538 -2.599 694 HD2 LYS 91 1HD LYS 91 -4.944 -13.041 -0.424 695 HD3 LYS 91 2HD LYS 91 -3.352 -12.358 -0.160 696 HE2 LYS 91 1HE LYS 91 -4.186 -10.375 0.733 697 HE3 LYS 91 2HE LYS 91 -5.636 -10.410 -0.251 698 HZ1 LYS 91 1HZ LYS 91 -5.152 -11.614 2.302 699 HZ2 LYS 91 2HZ LYS 91 -6.551 -11.084 1.648 700 HZ3 LYS 91 3HZ LYS 91 -5.975 -12.561 1.257 701 H VAL 92 H VAL 92 -0.861 -8.777 -2.257 702 HA VAL 92 HA VAL 92 -1.203 -7.144 -4.385 703 HB VAL 92 HB VAL 92 1.216 -7.483 -2.603 704 HG11 VAL 92 1HG1 VAL 92 2.057 -5.436 -3.309 705 HG12 VAL 92 2HG1 VAL 92 1.466 -6.141 -4.833 706 HG13 VAL 92 3HG1 VAL 92 0.499 -4.909 -3.989 707 HG21 VAL 92 1HG2 VAL 92 -1.260 -5.740 -2.399 708 HG22 VAL 92 2HG2 VAL 92 -0.772 -7.061 -1.311 709 HG23 VAL 92 3HG2 VAL 92 0.182 -5.560 -1.372 710 H SER 93 H SER 93 -1.026 -7.687 -6.508 711 HA SER 93 HA SER 93 1.185 -9.395 -7.251 712 HB2 SER 93 1HB SER 93 0.005 -9.786 -9.305 713 HB3 SER 93 2HB SER 93 -1.195 -9.842 -8.028 714 HG SER 93 HG SER 93 -1.974 -7.815 -8.610 715 H PHE 94 H PHE 94 -0.283 -6.167 -7.960 716 HA PHE 94 HA PHE 94 2.343 -5.317 -8.914 717 HB2 PHE 94 1HB PHE 94 0.697 -5.932 -10.809 718 HB3 PHE 94 2HB PHE 94 -0.389 -4.703 -10.191 719 HD1 PHE 94 2HD PHE 94 3.309 -4.630 -10.676 720 HD2 PHE 94 1HD PHE 94 -0.460 -3.026 -11.784 721 HE1 PHE 94 2HE PHE 94 4.460 -2.903 -12.089 722 HE2 PHE 94 1HE PHE 94 0.690 -1.300 -13.197 723 HZ PHE 94 HZ PHE 94 3.136 -1.259 -13.333 724 H CYS 95 H CYS 95 2.658 -2.954 -8.808 725 HA CYS 95 HA CYS 95 0.633 -1.449 -7.439 726 HB2 CYS 95 1HB CYS 95 2.387 -0.763 -5.647 727 HB3 CYS 95 2HB CYS 95 1.472 -2.241 -5.429 728 HG CYS 95 HG CYS 95 4.585 -1.668 -5.908 729 H ALA 96 H ALA 96 0.643 0.408 -8.657 730 HA ALA 96 HA ALA 96 3.270 1.416 -9.509 731 HB1 ALA 96 1HB ALA 96 1.838 2.349 -11.489 732 HB2 ALA 96 2HB ALA 96 2.331 0.639 -11.513 733 HB3 ALA 96 3HB ALA 96 0.678 1.082 -11.025 734 HA PRO 97 HA PRO 97 2.001 5.098 -7.630 735 HB2 PRO 97 1HB PRO 97 3.499 6.955 -8.963 736 HB3 PRO 97 2HB PRO 97 4.139 5.953 -7.676 737 HG2 PRO 97 1HG PRO 97 4.572 5.726 -10.592 738 HG3 PRO 97 2HG PRO 97 5.510 5.030 -9.286 739 HD2 PRO 97 1HD PRO 97 3.626 3.664 -10.963 740 HD3 PRO 97 2HD PRO 97 4.478 2.998 -9.584 741 H ASP 98 H ASP 98 1.743 7.702 -8.575 742 HA ASP 98 HA ASP 98 -0.342 7.297 -10.566 743 HB2 ASP 98 1HB ASP 98 -1.639 9.124 -9.376 744 HB3 ASP 98 2HB ASP 98 -1.515 7.622 -8.482 745 H ARG 99 H ARG 99 -0.950 9.590 -11.562 746 HA ARG 99 HA ARG 99 1.425 11.267 -11.551 747 HB2 ARG 99 1HB ARG 99 0.399 9.712 -13.751 748 HB3 ARG 99 2HB ARG 99 0.103 11.397 -14.132 749 HG2 ARG 99 1HG ARG 99 2.805 10.816 -12.998 750 HG3 ARG 99 2HG ARG 99 2.496 10.111 -14.572 751 HD2 ARG 99 1HD ARG 99 1.481 12.770 -14.725 752 HD3 ARG 99 2HD ARG 99 3.012 12.904 -13.882 753 HE ARG 99 HE ARG 99 3.522 11.184 -16.039 754 HH11 ARG 99 2HH2 ARG 99 2.366 14.484 -15.644 755 HH12 ARG 99 1HH2 ARG 99 3.003 15.025 -17.161 756 HH21 ARG 99 2HH1 ARG 99 4.363 11.897 -18.040 757 HH22 ARG 99 1HH1 ARG 99 4.147 13.543 -18.533 758 H ASN 100 H ASN 100 -2.050 10.984 -12.596 759 HA ASN 100 HA ASN 100 -2.621 13.564 -13.012 760 HB2 ASN 100 1HB ASN 100 -4.466 11.725 -11.411 761 HB3 ASN 100 2HB ASN 100 -4.945 13.003 -12.510 762 HD21 ASN 100 1HD2 ASN 100 -4.882 9.821 -12.207 763 HD22 ASN 100 2HD2 ASN 100 -4.662 9.288 -13.840 764 H PHE 101 H PHE 101 -2.775 11.753 -9.854 765 HA PHE 101 HA PHE 101 -3.148 14.263 -8.442 766 HB2 PHE 101 1HB PHE 101 -2.825 11.428 -7.326 767 HB3 PHE 101 2HB PHE 101 -3.694 12.760 -6.589 768 HD1 PHE 101 2HD PHE 101 -3.811 10.215 -9.243 769 HD2 PHE 101 1HD PHE 101 -5.964 13.241 -7.190 770 HE1 PHE 101 2HE PHE 101 -5.950 9.383 -10.259 771 HE2 PHE 101 1HE PHE 101 -8.103 12.409 -8.206 772 HZ PHE 101 HZ PHE 101 -8.070 10.490 -9.729 773 H ASP 102 H ASP 102 -1.878 14.238 -6.168 774 HA ASP 102 HA ASP 102 0.904 13.889 -6.939 775 HB2 ASP 102 1HB ASP 102 -0.467 15.688 -4.894 776 HB3 ASP 102 2HB ASP 102 1.273 15.483 -4.933 777 H ARG 103 H ARG 103 -1.682 12.774 -4.897 778 HA ARG 103 HA ARG 103 0.212 11.128 -3.475 779 HB2 ARG 103 1HB ARG 103 -1.212 11.508 -1.337 780 HB3 ARG 103 2HB ARG 103 -0.123 12.801 -1.800 781 HG2 ARG 103 1HG ARG 103 -2.255 13.663 -3.179 782 HG3 ARG 103 2HG ARG 103 -3.134 12.683 -2.022 783 HD2 ARG 103 1HD ARG 103 -2.969 14.379 -0.521 784 HD3 ARG 103 2HD ARG 103 -1.235 14.129 -0.473 785 HE ARG 103 HE ARG 103 -0.955 16.052 -1.770 786 HH11 ARG 103 2HH2 ARG 103 -4.267 14.917 -2.122 787 HH12 ARG 103 1HH2 ARG 103 -4.774 16.289 -3.048 788 HH21 ARG 103 2HH1 ARG 103 -1.624 17.864 -2.993 789 HH22 ARG 103 1HH1 ARG 103 -3.261 17.977 -3.547 790 H ALA 104 H ALA 104 -0.827 9.735 -5.272 791 HA ALA 104 HA ALA 104 -3.244 8.507 -4.166 792 HB1 ALA 104 1HB ALA 104 -4.304 8.438 -6.306 793 HB2 ALA 104 2HB ALA 104 -3.742 10.114 -6.094 794 HB3 ALA 104 3HB ALA 104 -2.830 8.994 -7.135 795 H PHE 105 H PHE 105 -2.323 6.629 -3.417 796 HA PHE 105 HA PHE 105 -0.590 5.210 -5.313 797 HB2 PHE 105 1HB PHE 105 0.562 5.692 -3.225 798 HB3 PHE 105 2HB PHE 105 -0.876 5.380 -2.272 799 HD1 PHE 105 1HD PHE 105 1.236 3.494 -4.721 800 HD2 PHE 105 2HD PHE 105 -0.805 3.471 -1.001 801 HE1 PHE 105 1HE PHE 105 2.022 1.147 -4.304 802 HE2 PHE 105 2HE PHE 105 -0.018 1.124 -0.584 803 HZ PHE 105 HZ PHE 105 1.386 -0.010 -2.240 804 H SER 106 H SER 106 -1.524 3.503 -6.324 805 HA SER 106 HA SER 106 -3.430 1.965 -4.760 806 HB2 SER 106 1HB SER 106 -3.824 2.817 -7.663 807 HB3 SER 106 2HB SER 106 -4.870 1.716 -6.789 808 HG SER 106 HG SER 106 -4.344 4.312 -5.689 809 H TYR 107 H TYR 107 -3.412 -0.311 -5.226 810 HA TYR 107 HA TYR 107 -1.498 -1.172 -7.267 811 HB2 TYR 107 1HB TYR 107 -0.479 -2.657 -5.561 812 HB3 TYR 107 2HB TYR 107 -0.471 -1.028 -4.917 813 HD1 TYR 107 2HD TYR 107 -2.587 -4.125 -4.916 814 HD2 TYR 107 1HD TYR 107 -1.309 -0.648 -2.774 815 HE1 TYR 107 2HE TYR 107 -3.838 -4.927 -2.853 816 HE2 TYR 107 1HE TYR 107 -2.565 -1.462 -0.719 817 HH TYR 107 HH TYR 107 -4.903 -3.611 -0.771 818 H ILE 108 H ILE 108 -1.820 -3.388 -7.992 819 HA ILE 108 HA ILE 108 -4.600 -4.188 -7.623 820 HB ILE 108 HB ILE 108 -2.556 -5.067 -9.665 821 HG12 ILE 108 1HG1 ILE 108 -4.706 -2.940 -9.769 822 HG13 ILE 108 2HG1 ILE 108 -2.980 -2.733 -9.992 823 HG21 ILE 108 1HG2 ILE 108 -4.743 -6.461 -8.936 824 HG22 ILE 108 2HG2 ILE 108 -5.464 -5.375 -10.147 825 HG23 ILE 108 3HG2 ILE 108 -4.100 -6.427 -10.595 826 HD11 ILE 108 1HD1 ILE 108 -4.648 -4.527 -11.803 827 HD12 ILE 108 2HD1 ILE 108 -4.377 -2.800 -12.138 828 HD13 ILE 108 3HD1 ILE 108 -2.998 -3.924 -12.088 829 H CYS 109 H CYS 109 -5.202 -6.269 -6.915 830 HA CYS 109 HA CYS 109 -3.144 -8.153 -6.275 831 HB2 CYS 109 1HB CYS 109 -3.377 -8.218 -3.923 832 HB3 CYS 109 2HB CYS 109 -3.132 -6.530 -4.323 833 HG CYS 109 HG CYS 109 -5.650 -8.153 -3.124 834 H ARG 110 H ARG 110 -4.082 -10.272 -5.960 835 HA ARG 110 HA ARG 110 -6.728 -10.423 -7.007 836 HB2 ARG 110 1HB ARG 110 -6.298 -12.897 -6.992 837 HB3 ARG 110 2HB ARG 110 -5.022 -12.011 -7.802 838 HG2 ARG 110 1HG ARG 110 -3.503 -12.907 -6.381 839 HG3 ARG 110 2HG ARG 110 -4.292 -12.104 -5.037 840 HD2 ARG 110 1HD ARG 110 -4.957 -14.126 -4.249 841 HD3 ARG 110 2HD ARG 110 -5.949 -14.340 -5.678 842 HE ARG 110 HE ARG 110 -4.354 -15.824 -6.528 843 HH11 ARG 110 2HH2 ARG 110 -2.871 -13.881 -3.997 844 HH12 ARG 110 1HH2 ARG 110 -1.389 -14.778 -4.000 845 HH21 ARG 110 2HH1 ARG 110 -2.399 -17.008 -6.532 846 HH22 ARG 110 1HH1 ARG 110 -1.119 -16.568 -5.452 847 H ASP 111 H ASP 111 -8.186 -9.722 -5.376 848 HA ASP 111 HA ASP 111 -8.078 -9.993 -2.764 849 HB2 ASP 111 1HB ASP 111 -10.034 -9.304 -4.520 850 HB3 ASP 111 2HB ASP 111 -10.689 -10.843 -3.994 851 H GLY 112 H GLY 112 -7.833 -11.724 -1.339 852 HA2 GLY 112 1HA GLY 112 -8.280 -14.431 -2.366 853 HA3 GLY 112 2HA GLY 112 -7.365 -13.970 -0.945 854 H THR 113 H THR 113 -10.711 -14.126 -2.298 855 HA THR 113 HA THR 113 -11.764 -15.312 0.007 856 HB THR 113 HB THR 113 -11.513 -13.235 1.186 857 HG1 THR 113 1HG THR 113 -13.715 -14.140 1.169 858 HG21 THR 113 1HG2 THR 113 -11.405 -12.004 -1.302 859 HG22 THR 113 2HG2 THR 113 -13.035 -11.554 -0.745 860 HG23 THR 113 3HG2 THR 113 -11.611 -11.135 0.237 861 H THR 114 H THR 114 -12.804 -12.819 -2.423 862 HA THR 114 HA THR 114 -15.113 -14.462 -3.027 863 HB THR 114 HB THR 114 -14.092 -11.701 -3.837 864 HG1 THR 114 1HG THR 114 -16.235 -11.317 -2.708 865 HG21 THR 114 1HG2 THR 114 -16.204 -11.384 -5.053 866 HG22 THR 114 2HG2 THR 114 -15.355 -12.774 -5.772 867 HG23 THR 114 3HG2 THR 114 -16.719 -13.043 -4.661 868 H ARG 115 H ARG 115 -11.854 -14.351 -3.990 869 HA ARG 115 HA ARG 115 -10.782 -15.430 -5.531 870 HB2 ARG 115 1HB ARG 115 -13.422 -16.492 -6.646 871 HB3 ARG 115 2HB ARG 115 -11.832 -17.193 -6.870 872 HG2 ARG 115 1HG ARG 115 -12.109 -18.421 -4.988 873 HG3 ARG 115 2HG ARG 115 -12.209 -16.949 -4.042 874 HD2 ARG 115 1HD ARG 115 -14.355 -17.564 -3.576 875 HD3 ARG 115 2HD ARG 115 -14.740 -17.061 -5.210 876 HE ARG 115 HE ARG 115 -13.868 -19.614 -5.638 877 HH11 ARG 115 2HH2 ARG 115 -16.143 -18.291 -3.303 878 HH12 ARG 115 1HH2 ARG 115 -17.084 -19.742 -3.206 879 HH21 ARG 115 2HH1 ARG 115 -15.109 -21.528 -5.511 880 HH22 ARG 115 1HH1 ARG 115 -16.492 -21.596 -4.470 881 H ARG 116 H ARG 116 -10.937 -12.869 -6.095 882 HA ARG 116 HA ARG 116 -11.260 -12.835 -8.930 883 HB2 ARG 116 1HB ARG 116 -12.675 -10.745 -8.896 884 HB3 ARG 116 2HB ARG 116 -13.518 -12.147 -8.268 885 HG2 ARG 116 1HG ARG 116 -13.720 -11.232 -6.189 886 HG3 ARG 116 2HG ARG 116 -12.038 -10.743 -6.148 887 HD2 ARG 116 1HD ARG 116 -13.689 -8.810 -6.079 888 HD3 ARG 116 2HD ARG 116 -12.502 -8.695 -7.363 889 HE ARG 116 HE ARG 116 -14.195 -9.097 -8.971 890 HH11 ARG 116 2HH2 ARG 116 -15.445 -9.554 -5.714 891 HH12 ARG 116 1HH2 ARG 116 -17.101 -9.602 -6.219 892 HH21 ARG 116 2HH1 ARG 116 -16.379 -9.159 -9.638 893 HH22 ARG 116 1HH1 ARG 116 -17.636 -9.376 -8.466 894 H TRP 117 H TRP 117 -10.810 -10.220 -9.560 895 HA TRP 117 HA TRP 117 -8.291 -9.680 -8.181 896 HB2 TRP 117 1HB TRP 117 -9.226 -8.378 -10.724 897 HB3 TRP 117 2HB TRP 117 -7.594 -8.548 -10.107 898 HD1 TRP 117 HD TRP 117 -10.342 -10.676 -11.820 899 HE1 TRP 117 1HE TRP 117 -9.301 -12.803 -12.984 900 HE3 TRP 117 3HE TRP 117 -5.637 -10.012 -10.010 901 HZ2 TRP 117 2HZ TRP 117 -6.685 -13.943 -13.017 902 HZ3 TRP 117 3HZ TRP 117 -3.898 -11.677 -10.657 903 HH2 TRP 117 HH TRP 117 -4.360 -13.591 -12.106 904 H ILE 118 H ILE 118 -8.029 -7.836 -6.937 905 HA ILE 118 HA ILE 118 -10.131 -5.811 -7.112 906 HB ILE 118 HB ILE 118 -9.230 -7.267 -4.634 907 HG12 ILE 118 1HG1 ILE 118 -11.105 -8.206 -6.016 908 HG13 ILE 118 2HG1 ILE 118 -11.515 -7.838 -4.352 909 HG21 ILE 118 1HG2 ILE 118 -11.010 -5.448 -3.702 910 HG22 ILE 118 2HG2 ILE 118 -9.243 -5.251 -3.636 911 HG23 ILE 118 3HG2 ILE 118 -10.174 -4.485 -4.945 912 HD11 ILE 118 1HD1 ILE 118 -13.298 -6.748 -5.292 913 HD12 ILE 118 2HD1 ILE 118 -12.121 -5.437 -5.547 914 HD13 ILE 118 3HD1 ILE 118 -12.485 -6.575 -6.866 915 H CYS 119 H CYS 119 -9.391 -3.707 -6.911 916 HA CYS 119 HA CYS 119 -6.489 -3.497 -6.580 917 HB2 CYS 119 1HB CYS 119 -6.982 -2.773 -8.762 918 HB3 CYS 119 2HB CYS 119 -8.445 -1.943 -8.271 919 HG CYS 119 HG CYS 119 -7.364 -0.044 -6.935 920 H HIS 120 H HIS 120 -5.708 -2.134 -4.948 921 HA HIS 120 HA HIS 120 -7.784 -0.800 -3.367 922 HB2 HIS 120 1HB HIS 120 -5.203 -2.151 -2.578 923 HB3 HIS 120 2HB HIS 120 -5.982 -0.986 -1.526 924 HD1 HIS 120 1HD HIS 120 -8.447 -1.631 -0.655 925 HD2 HIS 120 2HD HIS 120 -6.312 -4.697 -2.563 926 HE1 HIS 120 1HE HIS 120 -9.630 -3.809 -0.050 927 H CYS 121 H CYS 121 -7.716 1.395 -3.236 928 HA CYS 121 HA CYS 121 -5.277 2.652 -4.258 929 HB2 CYS 121 1HB CYS 121 -8.044 3.887 -4.160 930 HB3 CYS 121 2HB CYS 121 -6.623 4.520 -4.966 931 HG CYS 121 HG CYS 121 -8.218 1.673 -5.546 932 H PHE 122 H PHE 122 -4.514 4.581 -3.090 933 HA PHE 122 HA PHE 122 -5.751 5.061 -0.509 934 HB2 PHE 122 1HB PHE 122 -2.791 4.353 -0.971 935 HB3 PHE 122 2HB PHE 122 -3.496 4.755 0.583 936 HD1 PHE 122 2HD PHE 122 -3.627 2.245 -2.149 937 HD2 PHE 122 1HD PHE 122 -4.442 3.086 1.930 938 HE1 PHE 122 2HE PHE 122 -4.132 -0.181 -1.749 939 HE2 PHE 122 1HE PHE 122 -4.947 0.660 2.330 940 HZ PHE 122 HZ PHE 122 -4.786 -0.944 0.485 941 H MET 123 H MET 123 -5.874 7.232 -0.193 942 HA MET 123 HA MET 123 -4.185 8.874 -1.876 943 HB2 MET 123 1HB MET 123 -6.892 9.017 -0.739 944 HB3 MET 123 2HB MET 123 -5.999 10.472 -0.341 945 HG2 MET 123 1HG MET 123 -5.679 9.573 -3.166 946 HG3 MET 123 2HG MET 123 -7.312 10.044 -2.739 947 HE1 MET 123 1HE MET 123 -5.274 10.974 -4.696 948 HE2 MET 123 2HE MET 123 -5.442 12.745 -4.745 949 HE3 MET 123 3HE MET 123 -3.966 12.009 -4.076 950 H ALA 124 H ALA 124 -2.177 9.073 -0.873 951 HA ALA 124 HA ALA 124 -1.617 9.061 1.777 952 HB1 ALA 124 1HB ALA 124 -0.295 9.639 -0.645 953 HB2 ALA 124 2HB ALA 124 -0.010 11.055 0.395 954 HB3 ALA 124 3HB ALA 124 0.446 9.430 0.960 955 H VAL 125 H VAL 125 -1.200 10.751 3.376 956 HA VAL 125 HA VAL 125 -3.193 12.852 3.156 957 HB VAL 125 HB VAL 125 -1.507 11.783 5.423 958 HG11 VAL 125 1HG1 VAL 125 -2.496 14.383 5.222 959 HG12 VAL 125 2HG1 VAL 125 -3.709 13.527 6.205 960 HG13 VAL 125 3HG1 VAL 125 -2.002 13.543 6.712 961 HG21 VAL 125 1HG2 VAL 125 -3.770 10.725 4.311 962 HG22 VAL 125 2HG2 VAL 125 -3.266 10.495 6.002 963 HG23 VAL 125 3HG2 VAL 125 -4.455 11.754 5.592 964 H LYS 126 H LYS 126 0.267 12.599 4.259 965 HA LYS 126 HA LYS 126 0.717 15.161 2.907 966 HB2 LYS 126 1HB LYS 126 2.111 15.888 4.803 967 HB3 LYS 126 2HB LYS 126 0.430 15.683 5.249 968 HG2 LYS 126 1HG LYS 126 1.207 13.218 5.905 969 HG3 LYS 126 2HG LYS 126 2.802 13.942 5.957 970 HD2 LYS 126 1HD LYS 126 1.422 15.818 7.384 971 HD3 LYS 126 2HD LYS 126 0.440 14.413 7.745 972 HE2 LYS 126 1HE LYS 126 3.081 13.467 8.022 973 HE3 LYS 126 2HE LYS 126 3.149 15.087 8.688 974 HZ1 LYS 126 1HZ LYS 126 2.241 12.935 9.983 975 HZ2 LYS 126 2HZ LYS 126 1.902 14.477 10.400 976 HZ3 LYS 126 3HZ LYS 126 0.841 13.624 9.498 977 H ASP 127 H ASP 127 1.164 12.791 1.607 978 HA ASP 127 HA ASP 127 4.043 12.825 1.530 979 HB2 ASP 127 1HB ASP 127 3.317 10.901 3.032 980 HB3 ASP 127 2HB ASP 127 2.452 10.221 1.668 981 H THR 128 H THR 128 4.685 11.244 -0.494 982 HA THR 128 HA THR 128 2.686 11.763 -2.596 983 HB THR 128 HB THR 128 4.835 13.104 -2.688 984 HG1 THR 128 1HG THR 128 4.362 10.927 -4.602 985 HG21 THR 128 1HG2 THR 128 6.024 10.306 -3.072 986 HG22 THR 128 2HG2 THR 128 6.864 11.818 -3.491 987 HG23 THR 128 3HG2 THR 128 6.456 11.467 -1.794 988 H GLY 129 H GLY 129 2.121 10.156 -4.033 989 HA2 GLY 129 1HA GLY 129 1.919 7.593 -3.242 990 HA3 GLY 129 2HA GLY 129 2.027 8.077 -4.923 991 H GLU 130 H GLU 130 4.727 9.064 -4.992 992 HA GLU 130 HA GLU 130 6.135 6.959 -5.711 993 HB2 GLU 130 1HB GLU 130 6.710 9.679 -5.007 994 HB3 GLU 130 2HB GLU 130 7.974 8.690 -4.302 995 HG2 GLU 130 1HG GLU 130 8.818 9.078 -6.461 996 HG3 GLU 130 2HG GLU 130 8.059 7.511 -6.652 997 H ARG 131 H ARG 131 6.792 8.444 -2.453 998 HA ARG 131 HA ARG 131 8.264 6.463 -1.449 999 HB2 ARG 131 1HB ARG 131 6.358 8.457 -0.243 1000 HB3 ARG 131 2HB ARG 131 6.927 7.182 0.817 1001 HG2 ARG 131 1HG ARG 131 8.719 8.564 1.158 1002 HG3 ARG 131 2HG ARG 131 9.297 7.913 -0.363 1003 HD2 ARG 131 1HD ARG 131 9.429 10.222 -0.773 1004 HD3 ARG 131 2HD ARG 131 7.862 9.845 -1.459 1005 HE ARG 131 HE ARG 131 7.298 10.445 1.202 1006 HH11 ARG 131 2HH2 ARG 131 8.914 12.128 -1.432 1007 HH12 ARG 131 1HH2 ARG 131 8.484 13.704 -0.858 1008 HH21 ARG 131 2HH1 ARG 131 6.731 12.525 1.960 1009 HH22 ARG 131 1HH1 ARG 131 7.234 13.932 1.084 1010 H LEU 132 H LEU 132 4.646 6.717 -1.376 1011 HA LEU 132 HA LEU 132 4.133 4.463 0.130 1012 HB2 LEU 132 1HB LEU 132 2.629 5.993 -1.959 1013 HB3 LEU 132 2HB LEU 132 1.969 4.491 -1.344 1014 HG LEU 132 HG LEU 132 2.569 5.765 0.993 1015 HD11 LEU 132 1HD1 LEU 132 2.592 7.997 0.890 1016 HD12 LEU 132 2HD1 LEU 132 2.962 7.780 -0.838 1017 HD13 LEU 132 3HD1 LEU 132 1.282 8.051 -0.314 1018 HD21 LEU 132 1HD2 LEU 132 -0.058 6.319 -0.356 1019 HD22 LEU 132 2HD2 LEU 132 0.415 4.653 0.055 1020 HD23 LEU 132 3HD2 LEU 132 0.283 5.883 1.335 1021 H SER 133 H SER 133 5.016 4.829 -3.312 1022 HA SER 133 HA SER 133 4.373 2.161 -3.949 1023 HB2 SER 133 1HB SER 133 4.982 2.737 -6.094 1024 HB3 SER 133 2HB SER 133 4.789 4.354 -5.446 1025 HG SER 133 HG SER 133 7.091 4.422 -5.040 1026 H HIS 134 H HIS 134 6.986 3.725 -2.279 1027 HA HIS 134 HA HIS 134 8.932 1.722 -2.958 1028 HB2 HIS 134 1HB HIS 134 9.670 3.996 -2.629 1029 HB3 HIS 134 2HB HIS 134 8.948 4.060 -1.033 1030 HD1 HIS 134 1HD HIS 134 10.548 3.671 0.840 1031 HD2 HIS 134 2HD HIS 134 11.805 1.821 -2.709 1032 HE1 HIS 134 1HE HIS 134 12.822 2.629 1.344 1033 H ALA 135 H ALA 135 7.233 2.802 0.074 1034 HA ALA 135 HA ALA 135 8.099 0.884 1.771 1035 HB1 ALA 135 1HB ALA 135 5.623 1.123 2.683 1036 HB2 ALA 135 2HB ALA 135 6.740 2.508 2.723 1037 HB3 ALA 135 3HB ALA 135 5.514 2.389 1.438 1038 H VAL 136 H VAL 136 5.403 0.619 -0.630 1039 HA VAL 136 HA VAL 136 4.741 -2.023 0.095 1040 HB VAL 136 HB VAL 136 3.211 -0.493 -1.015 1041 HG11 VAL 136 1HG1 VAL 136 3.563 0.544 -3.008 1042 HG12 VAL 136 2HG1 VAL 136 5.270 0.307 -2.563 1043 HG13 VAL 136 3HG1 VAL 136 4.478 -0.824 -3.687 1044 HG21 VAL 136 1HG2 VAL 136 2.899 -2.205 -3.155 1045 HG22 VAL 136 2HG2 VAL 136 3.829 -3.191 -2.001 1046 HG23 VAL 136 3HG2 VAL 136 2.275 -2.474 -1.510 1047 H GLY 137 H GLY 137 7.007 -0.547 -2.268 1048 HA2 GLY 137 1HA GLY 137 7.673 -3.040 -3.514 1049 HA3 GLY 137 2HA GLY 137 8.477 -1.495 -3.707 1050 H CYS 138 H CYS 138 8.344 -1.721 -0.432 1051 HA CYS 138 HA CYS 138 11.051 -2.697 -0.319 1052 HB2 CYS 138 1HB CYS 138 9.241 -1.342 1.692 1053 HB3 CYS 138 2HB CYS 138 10.800 -2.003 2.139 1054 HG CYS 138 HG CYS 138 10.164 0.765 1.125 1055 H ALA 139 H ALA 139 7.879 -3.328 1.363 1056 HA ALA 139 HA ALA 139 8.656 -5.577 2.745 1057 HB1 ALA 139 1HB ALA 139 6.589 -4.926 3.437 1058 HB2 ALA 139 2HB ALA 139 6.131 -4.319 1.828 1059 HB3 ALA 139 3HB ALA 139 6.019 -6.059 2.188 1060 H PHE 140 H PHE 140 7.421 -5.231 -0.630 1061 HA PHE 140 HA PHE 140 7.093 -7.872 -1.245 1062 HB2 PHE 140 1HB PHE 140 7.137 -5.354 -2.503 1063 HB3 PHE 140 2HB PHE 140 8.484 -6.165 -3.279 1064 HD1 PHE 140 1HD PHE 140 4.860 -6.513 -2.553 1065 HD2 PHE 140 2HD PHE 140 8.111 -7.710 -5.003 1066 HE1 PHE 140 1HE PHE 140 3.265 -7.684 -4.097 1067 HE2 PHE 140 2HE PHE 140 6.517 -8.880 -6.547 1068 HZ PHE 140 HZ PHE 140 4.112 -8.854 -6.076 1069 H ALA 141 H ALA 141 10.097 -5.882 -1.772 1070 HA ALA 141 HA ALA 141 11.664 -7.962 -2.701 1071 HB1 ALA 141 1HB ALA 141 12.292 -5.625 -2.924 1072 HB2 ALA 141 2HB ALA 141 12.375 -5.438 -1.156 1073 HB3 ALA 141 3HB ALA 141 13.556 -6.470 -1.998 1074 H ALA 142 H ALA 142 10.816 -6.934 0.626 1075 HA ALA 142 HA ALA 142 12.726 -8.574 1.904 1076 HB1 ALA 142 1HB ALA 142 10.070 -7.637 3.035 1077 HB2 ALA 142 2HB ALA 142 11.595 -7.938 3.902 1078 HB3 ALA 142 3HB ALA 142 11.453 -6.539 2.811 1079 H CYS 143 H CYS 143 9.122 -8.933 1.524 1080 HA CYS 143 HA CYS 143 8.957 -11.467 2.535 1081 HB2 CYS 143 1HB CYS 143 7.036 -9.965 1.989 1082 HB3 CYS 143 2HB CYS 143 7.264 -10.324 0.289 1083 HG CYS 143 HG CYS 143 7.476 -13.075 1.590 1084 H LEU 144 H LEU 144 9.654 -10.316 -0.824 1085 HA LEU 144 HA LEU 144 9.746 -12.891 -1.958 1086 HB2 LEU 144 1HB LEU 144 10.662 -10.155 -2.773 1087 HB3 LEU 144 2HB LEU 144 11.129 -11.555 -3.719 1088 HG LEU 144 HG LEU 144 8.323 -10.560 -3.177 1089 HD11 LEU 144 1HD1 LEU 144 9.487 -9.307 -4.889 1090 HD12 LEU 144 2HD1 LEU 144 9.946 -10.811 -5.724 1091 HD13 LEU 144 3HD1 LEU 144 8.235 -10.329 -5.634 1092 HD21 LEU 144 1HD2 LEU 144 9.272 -13.240 -3.976 1093 HD22 LEU 144 2HD2 LEU 144 7.735 -12.729 -3.237 1094 HD23 LEU 144 3HD2 LEU 144 7.982 -12.552 -4.991 1095 H GLU 145 H GLU 145 12.154 -10.767 -0.360 1096 HA GLU 145 HA GLU 145 14.446 -11.956 -1.088 1097 HB2 GLU 145 1HB GLU 145 13.562 -10.233 1.007 1098 HB3 GLU 145 2HB GLU 145 14.516 -11.484 1.779 1099 HG2 GLU 145 1HG GLU 145 15.686 -10.404 -0.745 1100 HG3 GLU 145 2HG GLU 145 15.575 -9.245 0.565 1101 H ARG 146 H ARG 146 11.881 -13.270 0.966 1102 HA ARG 146 HA ARG 146 13.487 -15.269 2.119 1103 HB2 ARG 146 1HB ARG 146 10.533 -14.669 1.943 1104 HB3 ARG 146 2HB ARG 146 10.999 -16.291 2.416 1105 HG2 ARG 146 1HG ARG 146 11.245 -15.486 4.526 1106 HG3 ARG 146 2HG ARG 146 12.695 -14.682 3.960 1107 HD2 ARG 146 1HD ARG 146 11.659 -12.601 3.804 1108 HD3 ARG 146 2HD ARG 146 10.096 -13.283 3.398 1109 HE ARG 146 HE ARG 146 10.586 -14.113 6.033 1110 HH11 ARG 146 2HH2 ARG 146 10.316 -11.033 4.352 1111 HH12 ARG 146 1HH2 ARG 146 9.731 -10.180 5.741 1112 HH21 ARG 146 2HH1 ARG 146 9.814 -12.988 7.867 1113 HH22 ARG 146 1HH1 ARG 146 9.443 -11.300 7.754 1114 H LYS 147 H LYS 147 11.411 -14.972 -0.790 1115 HA LYS 147 HA LYS 147 11.710 -17.785 -1.397 1116 HB2 LYS 147 1HB LYS 147 10.460 -15.762 -3.235 1117 HB3 LYS 147 2HB LYS 147 10.083 -17.461 -3.030 1118 HG2 LYS 147 1HG LYS 147 9.442 -16.737 -0.553 1119 HG3 LYS 147 2HG LYS 147 9.338 -15.130 -1.244 1120 HD2 LYS 147 1HD LYS 147 7.859 -17.557 -2.364 1121 HD3 LYS 147 2HD LYS 147 7.146 -16.415 -1.242 1122 HE2 LYS 147 1HE LYS 147 6.799 -14.855 -2.875 1123 HE3 LYS 147 2HE LYS 147 8.415 -15.050 -3.525 1124 HZ1 LYS 147 1HZ LYS 147 7.656 -17.054 -4.627 1125 HZ2 LYS 147 2HZ LYS 147 6.147 -16.848 -4.037 1126 HZ3 LYS 147 3HZ LYS 147 6.768 -15.764 -5.089 1127 H GLN 148 H GLN 148 12.539 -14.609 -2.962 1128 HA GLN 148 HA GLN 148 14.620 -16.072 -4.380 1129 HB2 GLN 148 1HB GLN 148 14.571 -14.233 -6.026 1130 HB3 GLN 148 2HB GLN 148 12.977 -14.934 -5.832 1131 HG2 GLN 148 1HG GLN 148 12.102 -12.974 -5.074 1132 HG3 GLN 148 2HG GLN 148 13.389 -12.768 -3.903 1133 HE21 GLN 148 1HE2 GLN 148 14.058 -10.762 -4.155 1134 HE22 GLN 148 2HE2 GLN 148 14.600 -10.029 -5.628 1135 H LYS 149 H LYS 149 16.446 -14.185 -5.054 1136 HA LYS 149 HA LYS 149 17.296 -13.157 -2.439 1137 HB2 LYS 149 1HB LYS 149 19.585 -13.383 -3.263 1138 HB3 LYS 149 2HB LYS 149 18.739 -14.917 -3.307 1139 HG2 LYS 149 1HG LYS 149 18.382 -14.752 -5.708 1140 HG3 LYS 149 2HG LYS 149 18.913 -13.082 -5.737 1141 HD2 LYS 149 1HD LYS 149 21.143 -14.189 -4.657 1142 HD3 LYS 149 2HD LYS 149 20.550 -15.596 -5.517 1143 HE2 LYS 149 1HE LYS 149 21.821 -14.609 -7.204 1144 HE3 LYS 149 2HE LYS 149 20.265 -13.874 -7.537 1145 HZ1 LYS 149 1HZ LYS 149 22.519 -12.527 -7.066 1146 HZ2 LYS 149 2HZ LYS 149 21.020 -11.898 -6.912 1147 HZ3 LYS 149 3HZ LYS 149 21.807 -12.460 -5.597 1148 H ARG 150 H ARG 150 18.154 -11.025 -2.298 1149 HA ARG 150 HA ARG 150 17.086 -9.346 -4.376 1150 HB2 ARG 150 1HB ARG 150 17.680 -7.488 -2.718 1151 HB3 ARG 150 2HB ARG 150 16.513 -8.655 -2.130 1152 HG2 ARG 150 1HG ARG 150 18.037 -9.654 -0.649 1153 HG3 ARG 150 2HG ARG 150 19.433 -9.204 -1.608 1154 HD2 ARG 150 1HD ARG 150 19.141 -6.817 -0.942 1155 HD3 ARG 150 2HD ARG 150 17.713 -7.237 -0.018 1156 HE ARG 150 HE ARG 150 19.868 -8.895 0.870 1157 HH11 ARG 150 2HH2 ARG 150 18.859 -5.525 0.948 1158 HH12 ARG 150 1HH2 ARG 150 19.696 -5.175 2.424 1159 HH21 ARG 150 2HH1 ARG 150 20.972 -8.435 2.817 1160 HH22 ARG 150 1HH1 ARG 150 20.905 -6.842 3.495 1161 H SER 151 H SER 151 18.375 -7.801 -5.560 1162 HA SER 151 HA SER 151 21.019 -7.282 -5.038 1163 HB2 SER 151 1HB SER 151 21.444 -9.652 -5.576 1164 HB3 SER 151 2HB SER 151 20.615 -9.483 -7.111 1165 HG SER 151 HG SER 151 22.296 -8.355 -7.966 1166 H GLY 152 H GLY 152 22.118 -6.319 -7.173 1167 HA2 GLY 152 1HA GLY 152 21.869 -5.259 -9.222 1168 HA3 GLY 152 2HA GLY 152 20.126 -5.412 -9.113 1169 HA PRO 153 HA PRO 153 21.667 -1.595 -6.705 1170 HB2 PRO 153 1HB PRO 153 23.839 -0.349 -7.801 1171 HB3 PRO 153 2HB PRO 153 23.946 -1.425 -6.421 1172 HG2 PRO 153 1HG PRO 153 24.715 -1.931 -9.230 1173 HG3 PRO 153 2HG PRO 153 25.192 -2.803 -7.787 1174 HD2 PRO 153 1HD PRO 153 23.252 -3.633 -9.730 1175 HD3 PRO 153 2HD PRO 153 23.646 -4.446 -8.229 1176 H SER 154 H SER 154 21.846 0.892 -7.323 1177 HA SER 154 HA SER 154 20.681 1.151 -9.961 1178 HB2 SER 154 1HB SER 154 18.926 2.718 -8.973 1179 HB3 SER 154 2HB SER 154 18.698 1.015 -8.626 1180 HG SER 154 HG SER 154 20.093 1.661 -6.587 1181 H SER 155 H SER 155 21.561 2.950 -6.918 1182 HA SER 155 HA SER 155 23.471 4.464 -8.361 1183 HB2 SER 155 1HB SER 155 22.380 6.702 -7.692 1184 HB3 SER 155 2HB SER 155 21.682 5.859 -9.061 1185 HG SER 155 HG SER 155 20.452 6.630 -6.786 1186 H GLY 156 H GLY 156 21.313 4.579 -5.426 1187 HA2 GLY 156 1HA GLY 156 22.089 4.042 -3.273 1188 HA3 GLY 156 2HA GLY 156 23.723 4.464 -3.745 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -11.444 0.132 24.719 2 HA2 GLY 1 1HA GLY 1 -10.580 -1.505 26.954 3 HA3 GLY 1 2HA GLY 1 -11.441 -2.363 25.692 4 H SER 2 H SER 2 -8.404 -1.121 26.705 5 HA SER 2 HA SER 2 -6.418 -1.132 25.832 6 HB2 SER 2 1HB SER 2 -7.444 -3.434 24.909 7 HB3 SER 2 2HB SER 2 -7.253 -2.638 23.359 8 HG SER 2 HG SER 2 -5.352 -3.846 23.897 9 H SER 3 H SER 3 -5.600 0.769 25.041 10 HA SER 3 HA SER 3 -6.709 1.678 22.501 11 HB2 SER 3 1HB SER 3 -7.468 3.073 24.447 12 HB3 SER 3 2HB SER 3 -5.795 3.426 24.829 13 HG SER 3 HG SER 3 -7.425 4.427 22.749 14 H GLY 4 H GLY 4 -5.090 3.407 21.475 15 HA2 GLY 4 1HA GLY 4 -2.311 2.550 21.992 16 HA3 GLY 4 2HA GLY 4 -2.975 2.569 20.371 17 H SER 5 H SER 5 -0.701 4.143 21.455 18 HA SER 5 HA SER 5 -1.519 6.633 20.397 19 HB2 SER 5 1HB SER 5 -2.092 6.492 23.033 20 HB3 SER 5 2HB SER 5 -0.401 6.931 23.171 21 HG SER 5 HG SER 5 -2.013 8.414 21.340 22 H SER 6 H SER 6 0.191 6.373 18.910 23 HA SER 6 HA SER 6 2.808 6.711 20.093 24 HB2 SER 6 1HB SER 6 2.296 4.674 17.885 25 HB3 SER 6 2HB SER 6 3.824 4.992 18.683 26 HG SER 6 HG SER 6 3.256 3.732 20.326 27 H GLY 7 H GLY 7 3.019 8.832 19.321 28 HA2 GLY 7 1HA GLY 7 3.010 9.112 16.382 29 HA3 GLY 7 2HA GLY 7 2.198 10.280 17.405 30 H ALA 8 H ALA 8 5.247 9.205 16.094 31 HA ALA 8 HA ALA 8 6.515 11.561 17.203 32 HB1 ALA 8 1HB ALA 8 6.830 9.442 18.734 33 HB2 ALA 8 2HB ALA 8 7.979 8.938 17.472 34 HB3 ALA 8 3HB ALA 8 8.231 10.469 18.345 35 H SER 9 H SER 9 7.682 12.537 15.613 36 HA SER 9 HA SER 9 7.698 11.429 13.069 37 HB2 SER 9 1HB SER 9 9.167 13.772 14.331 38 HB3 SER 9 2HB SER 9 9.393 13.360 12.642 39 HG SER 9 HG SER 9 6.728 13.647 13.661 40 H ARG 10 H ARG 10 9.777 11.100 11.717 41 HA ARG 10 HA ARG 10 11.982 10.183 13.324 42 HB2 ARG 10 1HB ARG 10 10.261 8.429 11.552 43 HB3 ARG 10 2HB ARG 10 11.975 8.079 11.660 44 HG2 ARG 10 1HG ARG 10 10.213 8.413 14.128 45 HG3 ARG 10 2HG ARG 10 10.456 6.863 13.347 46 HD2 ARG 10 1HD ARG 10 12.834 6.890 13.802 47 HD3 ARG 10 2HD ARG 10 12.805 8.585 14.247 48 HE ARG 10 HE ARG 10 11.989 8.009 16.378 49 HH11 ARG 10 2HH2 ARG 10 11.788 5.227 14.232 50 HH12 ARG 10 1HH2 ARG 10 11.399 4.115 15.501 51 HH21 ARG 10 2HH1 ARG 10 11.476 6.541 18.053 52 HH22 ARG 10 1HH1 ARG 10 11.220 4.867 17.690 53 HA PRO 11 HA PRO 11 14.214 11.621 9.865 54 HB2 PRO 11 1HB PRO 11 16.481 10.094 9.872 55 HB3 PRO 11 2HB PRO 11 16.236 11.451 10.954 56 HG2 PRO 11 1HG PRO 11 16.102 8.558 11.548 57 HG3 PRO 11 2HG PRO 11 16.283 9.900 12.660 58 HD2 PRO 11 1HD PRO 11 13.894 8.392 12.164 59 HD3 PRO 11 2HD PRO 11 14.047 9.806 13.188 60 H HIS 12 H HIS 12 15.634 10.878 7.828 61 HA HIS 12 HA HIS 12 15.488 9.968 5.837 62 HB2 HIS 12 1HB HIS 12 14.638 7.565 7.469 63 HB3 HIS 12 2HB HIS 12 14.919 7.493 5.741 64 HD1 HIS 12 1HD HIS 12 16.625 6.013 8.040 65 HD2 HIS 12 2HD HIS 12 17.725 9.467 5.929 66 HE1 HIS 12 1HE HIS 12 19.171 6.142 8.158 67 H GLN 13 H GLN 13 13.961 9.136 4.096 68 HA GLN 13 HA GLN 13 11.221 9.778 4.866 69 HB2 GLN 13 1HB GLN 13 12.151 11.623 3.547 70 HB3 GLN 13 2HB GLN 13 12.698 10.517 2.303 71 HG2 GLN 13 1HG GLN 13 10.700 11.136 1.322 72 HG3 GLN 13 2HG GLN 13 10.090 9.814 2.298 73 HE21 GLN 13 1HE2 GLN 13 8.740 10.178 3.962 74 HE22 GLN 13 2HE2 GLN 13 8.113 11.727 4.419 75 H TRP 14 H TRP 14 13.296 8.154 2.362 76 HA TRP 14 HA TRP 14 11.097 6.320 1.817 77 HB2 TRP 14 1HB TRP 14 13.751 6.753 0.436 78 HB3 TRP 14 2HB TRP 14 12.557 5.562 -0.041 79 HD1 TRP 14 HD TRP 14 12.415 9.434 0.586 80 HE1 TRP 14 1HE TRP 14 11.005 10.615 -1.306 81 HE3 TRP 14 3HE TRP 14 11.278 5.177 -1.952 82 HZ2 TRP 14 2HZ TRP 14 9.603 9.658 -3.600 83 HZ3 TRP 14 3HZ TRP 14 9.884 5.389 -4.008 84 HH2 TRP 14 HH TRP 14 9.054 7.532 -4.840 85 H GLN 15 H GLN 15 14.596 6.383 2.788 86 HA GLN 15 HA GLN 15 14.989 3.737 3.111 87 HB2 GLN 15 1HB GLN 15 16.869 5.137 3.391 88 HB3 GLN 15 2HB GLN 15 16.063 6.164 4.560 89 HG2 GLN 15 1HG GLN 15 16.622 4.814 6.323 90 HG3 GLN 15 2HG GLN 15 16.240 3.346 5.446 91 HE21 GLN 15 1HE2 GLN 15 18.603 6.002 5.521 92 HE22 GLN 15 2HE2 GLN 15 20.011 5.058 5.165 93 H THR 16 H THR 16 13.376 6.035 5.365 94 HA THR 16 HA THR 16 13.153 4.296 7.543 95 HB THR 16 HB THR 16 12.812 6.729 7.704 96 HG1 THR 16 1HG THR 16 10.769 6.514 8.870 97 HG21 THR 16 1HG2 THR 16 11.158 7.922 6.552 98 HG22 THR 16 2HG2 THR 16 11.526 6.687 5.324 99 HG23 THR 16 3HG2 THR 16 10.108 6.495 6.382 100 H ASP 17 H ASP 17 11.730 4.114 4.417 101 HA ASP 17 HA ASP 17 9.457 2.660 5.428 102 HB2 ASP 17 1HB ASP 17 10.325 3.253 2.560 103 HB3 ASP 17 2HB ASP 17 8.788 2.552 3.026 104 H GLU 18 H GLU 18 12.726 2.167 4.490 105 HA GLU 18 HA GLU 18 12.242 -0.468 3.423 106 HB2 GLU 18 1HB GLU 18 14.860 1.037 3.865 107 HB3 GLU 18 2HB GLU 18 14.697 -0.487 3.015 108 HG2 GLU 18 1HG GLU 18 12.789 1.178 1.776 109 HG3 GLU 18 2HG GLU 18 14.148 2.246 2.066 110 H GLU 19 H GLU 19 13.085 1.158 6.414 111 HA GLU 19 HA GLU 19 14.122 -1.295 7.534 112 HB2 GLU 19 1HB GLU 19 14.742 0.068 9.466 113 HB3 GLU 19 2HB GLU 19 15.280 0.865 8.000 114 HG2 GLU 19 1HG GLU 19 13.186 2.283 8.049 115 HG3 GLU 19 2HG GLU 19 12.746 1.533 9.571 116 H GLY 20 H GLY 20 11.418 1.071 7.960 117 HA2 GLY 20 1HA GLY 20 10.168 -0.113 10.142 118 HA3 GLY 20 2HA GLY 20 9.394 0.862 8.910 119 H VAL 21 H VAL 21 10.688 -1.403 6.983 120 HA VAL 21 HA VAL 21 8.255 -2.992 7.044 121 HB VAL 21 HB VAL 21 8.851 -2.021 4.946 122 HG11 VAL 21 1HG1 VAL 21 11.121 -1.526 4.996 123 HG12 VAL 21 2HG1 VAL 21 11.576 -3.164 5.521 124 HG13 VAL 21 3HG1 VAL 21 11.058 -2.879 3.842 125 HG21 VAL 21 1HG2 VAL 21 7.978 -4.412 5.051 126 HG22 VAL 21 2HG2 VAL 21 8.781 -3.930 3.538 127 HG23 VAL 21 3HG2 VAL 21 9.647 -4.934 4.725 128 H ARG 22 H ARG 22 11.816 -3.258 7.425 129 HA ARG 22 HA ARG 22 11.577 -6.089 7.771 130 HB2 ARG 22 1HB ARG 22 14.119 -5.816 8.300 131 HB3 ARG 22 2HB ARG 22 13.590 -5.461 6.667 132 HG2 ARG 22 1HG ARG 22 13.700 -3.095 7.012 133 HG3 ARG 22 2HG ARG 22 13.716 -3.259 8.757 134 HD2 ARG 22 1HD ARG 22 15.985 -3.361 8.773 135 HD3 ARG 22 2HD ARG 22 15.969 -4.736 7.687 136 HE ARG 22 HE ARG 22 15.457 -2.586 6.007 137 HH11 ARG 22 2HH2 ARG 22 17.993 -3.341 8.326 138 HH12 ARG 22 1HH2 ARG 22 19.208 -2.436 7.486 139 HH21 ARG 22 2HH1 ARG 22 17.058 -1.392 4.897 140 HH22 ARG 22 1HH1 ARG 22 18.672 -1.320 5.522 141 H THR 23 H THR 23 11.060 -3.336 9.669 142 HA THR 23 HA THR 23 11.871 -4.732 12.133 143 HB THR 23 HB THR 23 12.020 -2.472 13.109 144 HG1 THR 23 1HG THR 23 11.288 -1.612 10.409 145 HG21 THR 23 1HG2 THR 23 14.089 -2.302 12.148 146 HG22 THR 23 2HG2 THR 23 13.548 -3.223 10.724 147 HG23 THR 23 3HG2 THR 23 13.313 -1.459 10.786 148 H GLY 24 H GLY 24 9.259 -2.772 10.587 149 HA2 GLY 24 1HA GLY 24 7.018 -3.626 10.763 150 HA3 GLY 24 2HA GLY 24 7.371 -4.148 12.398 151 H LYS 25 H LYS 25 7.802 -1.061 10.510 152 HA LYS 25 HA LYS 25 5.944 0.306 12.177 153 HB2 LYS 25 1HB LYS 25 7.718 1.962 13.004 154 HB3 LYS 25 2HB LYS 25 7.569 0.432 13.843 155 HG2 LYS 25 1HG LYS 25 9.842 0.334 13.531 156 HG3 LYS 25 2HG LYS 25 9.401 -0.289 11.954 157 HD2 LYS 25 1HD LYS 25 9.875 1.729 10.860 158 HD3 LYS 25 2HD LYS 25 9.547 2.704 12.278 159 HE2 LYS 25 1HE LYS 25 11.710 1.161 13.121 160 HE3 LYS 25 2HE LYS 25 12.077 1.410 11.426 161 HZ1 LYS 25 1HZ LYS 25 12.786 3.387 12.056 162 HZ2 LYS 25 2HZ LYS 25 11.233 3.831 12.294 163 HZ3 LYS 25 3HZ LYS 25 12.125 3.276 13.545 164 H CYS 26 H CYS 26 6.492 -0.361 9.331 165 HA CYS 26 HA CYS 26 7.246 2.225 8.255 166 HB2 CYS 26 1HB CYS 26 8.259 0.289 7.197 167 HB3 CYS 26 2HB CYS 26 6.690 -0.437 6.909 168 HG CYS 26 HG CYS 26 5.750 1.350 5.320 169 H SER 27 H SER 27 5.291 3.289 9.206 170 HA SER 27 HA SER 27 2.998 2.786 7.490 171 HB2 SER 27 1HB SER 27 1.464 3.127 9.386 172 HB3 SER 27 2HB SER 27 2.527 1.769 9.697 173 HG SER 27 HG SER 27 3.926 3.532 10.814 174 H PHE 28 H PHE 28 1.599 4.726 7.198 175 HA PHE 28 HA PHE 28 2.681 7.215 8.198 176 HB2 PHE 28 1HB PHE 28 2.329 7.806 5.510 177 HB3 PHE 28 2HB PHE 28 3.887 7.407 6.207 178 HD1 PHE 28 1HD PHE 28 4.591 4.934 6.180 179 HD2 PHE 28 2HD PHE 28 1.418 6.473 3.821 180 HE1 PHE 28 1HE PHE 28 4.769 2.953 4.649 181 HE2 PHE 28 2HE PHE 28 1.595 4.492 2.289 182 HZ PHE 28 HZ PHE 28 3.269 2.756 2.722 183 HA PRO 29 HA PRO 29 -1.465 8.418 7.850 184 HB2 PRO 29 1HB PRO 29 -1.341 11.100 7.339 185 HB3 PRO 29 2HB PRO 29 -1.098 10.416 8.934 186 HG2 PRO 29 1HG PRO 29 0.912 11.500 7.057 187 HG3 PRO 29 2HG PRO 29 1.061 11.214 8.779 188 HD2 PRO 29 1HD PRO 29 2.144 9.599 6.671 189 HD3 PRO 29 2HD PRO 29 2.193 9.251 8.388 190 H VAL 30 H VAL 30 -2.863 7.661 6.403 191 HA VAL 30 HA VAL 30 -2.821 9.021 3.834 192 HB VAL 30 HB VAL 30 -2.470 7.174 2.538 193 HG11 VAL 30 1HG1 VAL 30 -0.380 7.642 3.649 194 HG12 VAL 30 2HG1 VAL 30 -0.846 6.644 5.047 195 HG13 VAL 30 3HG1 VAL 30 -0.543 5.879 3.469 196 HG21 VAL 30 1HG2 VAL 30 -2.785 4.852 3.204 197 HG22 VAL 30 2HG2 VAL 30 -3.112 5.352 4.881 198 HG23 VAL 30 3HG2 VAL 30 -4.244 5.799 3.582 199 H LYS 31 H LYS 31 -4.826 8.136 2.498 200 HA LYS 31 HA LYS 31 -7.010 7.778 4.432 201 HB2 LYS 31 1HB LYS 31 -6.771 9.572 2.026 202 HB3 LYS 31 2HB LYS 31 -8.344 9.004 2.548 203 HG2 LYS 31 1HG LYS 31 -8.361 10.369 4.380 204 HG3 LYS 31 2HG LYS 31 -6.711 9.963 4.810 205 HD2 LYS 31 1HD LYS 31 -6.602 12.274 4.270 206 HD3 LYS 31 2HD LYS 31 -5.982 11.482 2.836 207 HE2 LYS 31 1HE LYS 31 -8.012 11.825 1.616 208 HE3 LYS 31 2HE LYS 31 -8.941 12.135 3.069 209 HZ1 LYS 31 1HZ LYS 31 -8.524 14.253 2.705 210 HZ2 LYS 31 2HZ LYS 31 -6.953 13.999 3.071 211 HZ3 LYS 31 3HZ LYS 31 -7.449 13.941 1.516 212 H TYR 32 H TYR 32 -8.709 6.346 3.848 213 HA TYR 32 HA TYR 32 -7.866 4.403 1.838 214 HB2 TYR 32 1HB TYR 32 -8.466 3.816 4.262 215 HB3 TYR 32 2HB TYR 32 -10.067 4.477 3.997 216 HD1 TYR 32 2HD TYR 32 -8.595 2.671 1.206 217 HD2 TYR 32 1HD TYR 32 -10.948 2.255 4.755 218 HE1 TYR 32 2HE TYR 32 -9.405 0.397 0.411 219 HE2 TYR 32 1HE TYR 32 -11.751 -0.019 3.948 220 HH TYR 32 HH TYR 32 -11.551 -1.566 2.449 221 H LEU 33 H LEU 33 -8.553 5.016 -0.187 222 HA LEU 33 HA LEU 33 -10.971 6.431 -0.581 223 HB2 LEU 33 1HB LEU 33 -9.123 4.978 -2.476 224 HB3 LEU 33 2HB LEU 33 -10.503 5.930 -2.988 225 HG LEU 33 HG LEU 33 -8.209 7.057 -1.364 226 HD11 LEU 33 1HD1 LEU 33 -7.369 6.224 -3.507 227 HD12 LEU 33 2HD1 LEU 33 -8.613 7.164 -4.366 228 HD13 LEU 33 3HD1 LEU 33 -7.344 8.003 -3.442 229 HD21 LEU 33 1HD2 LEU 33 -9.216 9.186 -2.583 230 HD22 LEU 33 2HD2 LEU 33 -10.691 8.189 -2.575 231 HD23 LEU 33 3HD2 LEU 33 -9.874 8.582 -1.043 232 H GLY 34 H GLY 34 -9.977 2.978 -0.810 233 HA2 GLY 34 1HA GLY 34 -11.976 1.597 0.009 234 HA3 GLY 34 2HA GLY 34 -12.775 2.268 -1.399 235 H HIS 35 H HIS 35 -13.006 0.073 -2.252 236 HA HIS 35 HA HIS 35 -10.505 -0.829 -3.474 237 HB2 HIS 35 1HB HIS 35 -11.600 -3.181 -3.251 238 HB3 HIS 35 2HB HIS 35 -10.726 -2.485 -1.901 239 HD1 HIS 35 1HD HIS 35 -11.963 -3.434 0.078 240 HD2 HIS 35 2HD HIS 35 -14.540 -1.747 -2.770 241 HE1 HIS 35 1HE HIS 35 -14.295 -3.469 1.114 242 H VAL 36 H VAL 36 -10.642 -1.402 -5.650 243 HA VAL 36 HA VAL 36 -13.334 -1.297 -6.813 244 HB VAL 36 HB VAL 36 -12.459 -0.017 -8.674 245 HG11 VAL 36 1HG1 VAL 36 -11.460 1.786 -6.616 246 HG12 VAL 36 2HG1 VAL 36 -12.935 1.889 -7.606 247 HG13 VAL 36 3HG1 VAL 36 -12.940 0.945 -6.097 248 HG21 VAL 36 1HG2 VAL 36 -9.906 0.690 -7.343 249 HG22 VAL 36 2HG2 VAL 36 -9.997 -0.954 -8.019 250 HG23 VAL 36 3HG2 VAL 36 -10.279 0.457 -9.067 251 H GLU 37 H GLU 37 -13.450 -2.409 -8.964 252 HA GLU 37 HA GLU 37 -11.746 -4.740 -8.834 253 HB2 GLU 37 1HB GLU 37 -14.436 -4.552 -9.138 254 HB3 GLU 37 2HB GLU 37 -13.976 -4.542 -10.829 255 HG2 GLU 37 1HG GLU 37 -12.555 -6.625 -10.353 256 HG3 GLU 37 2HG GLU 37 -13.278 -6.672 -8.757 257 H VAL 38 H VAL 38 -9.912 -4.753 -10.055 258 HA VAL 38 HA VAL 38 -9.470 -2.855 -12.085 259 HB VAL 38 HB VAL 38 -7.426 -4.200 -12.490 260 HG11 VAL 38 1HG1 VAL 38 -8.249 -3.052 -9.891 261 HG12 VAL 38 2HG1 VAL 38 -6.812 -4.102 -9.834 262 HG13 VAL 38 3HG1 VAL 38 -6.839 -2.689 -10.916 263 HG21 VAL 38 1HG2 VAL 38 -8.954 -6.188 -10.952 264 HG22 VAL 38 2HG2 VAL 38 -7.602 -6.405 -12.089 265 HG23 VAL 38 3HG2 VAL 38 -7.277 -5.975 -10.393 266 H ASP 39 H ASP 39 -8.293 -4.268 -14.203 267 HA ASP 39 HA ASP 39 -10.469 -5.918 -15.186 268 HB2 ASP 39 1HB ASP 39 -9.924 -3.255 -16.040 269 HB3 ASP 39 2HB ASP 39 -9.293 -4.284 -17.310 270 H GLU 40 H GLU 40 -7.129 -4.574 -15.582 271 HA GLU 40 HA GLU 40 -6.419 -6.953 -17.087 272 HB2 GLU 40 1HB GLU 40 -4.687 -4.494 -16.629 273 HB3 GLU 40 2HB GLU 40 -4.479 -5.733 -17.851 274 HG2 GLU 40 1HG GLU 40 -7.157 -4.588 -18.049 275 HG3 GLU 40 2HG GLU 40 -5.959 -3.309 -18.081 276 H SER 41 H SER 41 -6.045 -5.322 -13.992 277 HA SER 41 HA SER 41 -5.119 -5.923 -12.123 278 HB2 SER 41 1HB SER 41 -5.146 -8.545 -13.577 279 HB3 SER 41 2HB SER 41 -4.116 -8.451 -12.163 280 HG SER 41 HG SER 41 -5.849 -8.185 -10.840 281 H ARG 42 H ARG 42 -3.543 -5.187 -14.808 282 HA ARG 42 HA ARG 42 -1.057 -5.017 -13.469 283 HB2 ARG 42 1HB ARG 42 0.230 -6.164 -15.363 284 HB3 ARG 42 2HB ARG 42 -0.679 -7.247 -14.327 285 HG2 ARG 42 1HG ARG 42 -2.480 -6.422 -16.391 286 HG3 ARG 42 2HG ARG 42 -0.964 -6.794 -17.187 287 HD2 ARG 42 1HD ARG 42 -2.063 -8.709 -15.107 288 HD3 ARG 42 2HD ARG 42 -2.725 -8.726 -16.730 289 HE ARG 42 HE ARG 42 -0.148 -9.757 -15.928 290 HH11 ARG 42 2HH2 ARG 42 -1.775 -8.140 -18.597 291 HH12 ARG 42 1HH2 ARG 42 -0.692 -8.759 -19.799 292 HH21 ARG 42 2HH1 ARG 42 1.281 -10.573 -17.513 293 HH22 ARG 42 1HH1 ARG 42 1.058 -10.152 -19.178 294 H GLY 43 H GLY 43 -0.432 -2.938 -13.959 295 HA2 GLY 43 1HA GLY 43 0.285 -1.833 -16.248 296 HA3 GLY 43 2HA GLY 43 -1.456 -1.700 -16.397 297 H MET 44 H MET 44 1.100 0.140 -15.681 298 HA MET 44 HA MET 44 0.577 1.192 -13.178 299 HB2 MET 44 1HB MET 44 1.890 2.253 -15.723 300 HB3 MET 44 2HB MET 44 1.781 3.269 -14.299 301 HG2 MET 44 1HG MET 44 3.270 1.951 -13.062 302 HG3 MET 44 2HG MET 44 2.851 0.478 -13.916 303 HE1 MET 44 1HE MET 44 4.523 -0.133 -16.559 304 HE2 MET 44 2HE MET 44 2.877 0.529 -16.416 305 HE3 MET 44 3HE MET 44 4.079 1.346 -17.444 306 H HIS 45 H HIS 45 -0.940 1.728 -16.340 307 HA HIS 45 HA HIS 45 -2.197 4.163 -15.550 308 HB2 HIS 45 1HB HIS 45 -3.319 4.033 -17.688 309 HB3 HIS 45 2HB HIS 45 -1.610 3.697 -17.882 310 HD1 HIS 45 1HD HIS 45 -0.928 1.383 -18.773 311 HD2 HIS 45 2HD HIS 45 -5.042 1.754 -18.044 312 HE1 HIS 45 1HE HIS 45 -2.027 -0.672 -19.814 313 H ILE 46 H ILE 46 -2.631 0.896 -14.732 314 HA ILE 46 HA ILE 46 -5.497 0.945 -14.638 315 HB ILE 46 HB ILE 46 -3.589 -1.007 -13.354 316 HG12 ILE 46 1HG1 ILE 46 -3.134 -0.636 -15.806 317 HG13 ILE 46 2HG1 ILE 46 -3.543 -2.278 -15.349 318 HG21 ILE 46 1HG2 ILE 46 -6.102 -0.926 -12.759 319 HG22 ILE 46 2HG2 ILE 46 -6.354 -1.590 -14.391 320 HG23 ILE 46 3HG2 ILE 46 -5.376 -2.488 -13.206 321 HD11 ILE 46 1HD1 ILE 46 -5.753 -0.402 -16.216 322 HD12 ILE 46 2HD1 ILE 46 -4.716 -1.172 -17.441 323 HD13 ILE 46 3HD1 ILE 46 -5.677 -2.177 -16.329 324 H CYS 47 H CYS 47 -2.818 0.912 -12.181 325 HA CYS 47 HA CYS 47 -4.235 1.099 -9.926 326 HB2 CYS 47 1HB CYS 47 -1.768 2.766 -10.522 327 HB3 CYS 47 2HB CYS 47 -2.357 2.315 -8.934 328 HG CYS 47 HG CYS 47 -1.921 -0.131 -8.989 329 H GLU 48 H GLU 48 -3.090 3.988 -11.839 330 HA GLU 48 HA GLU 48 -4.485 5.854 -10.429 331 HB2 GLU 48 1HB GLU 48 -3.645 5.775 -13.353 332 HB3 GLU 48 2HB GLU 48 -4.353 7.202 -12.624 333 HG2 GLU 48 1HG GLU 48 -2.525 7.511 -11.133 334 HG3 GLU 48 2HG GLU 48 -1.990 5.850 -11.288 335 H ASP 49 H ASP 49 -5.509 3.991 -13.364 336 HA ASP 49 HA ASP 49 -7.852 5.192 -13.875 337 HB2 ASP 49 1HB ASP 49 -6.617 2.635 -14.399 338 HB3 ASP 49 2HB ASP 49 -8.297 2.339 -13.999 339 H ALA 50 H ALA 50 -6.964 2.999 -11.203 340 HA ALA 50 HA ALA 50 -9.526 2.256 -10.381 341 HB1 ALA 50 1HB ALA 50 -7.193 2.690 -8.505 342 HB2 ALA 50 2HB ALA 50 -8.435 1.415 -8.475 343 HB3 ALA 50 3HB ALA 50 -7.160 1.387 -9.717 344 H VAL 51 H VAL 51 -7.332 4.860 -9.092 345 HA VAL 51 HA VAL 51 -9.005 5.965 -7.279 346 HB VAL 51 HB VAL 51 -7.216 7.476 -9.192 347 HG11 VAL 51 1HG1 VAL 51 -8.332 9.114 -7.978 348 HG12 VAL 51 2HG1 VAL 51 -8.436 8.109 -6.513 349 HG13 VAL 51 3HG1 VAL 51 -6.881 8.836 -6.985 350 HG21 VAL 51 1HG2 VAL 51 -6.610 5.660 -6.891 351 HG22 VAL 51 2HG2 VAL 51 -5.723 5.916 -8.413 352 HG23 VAL 51 3HG2 VAL 51 -5.612 7.118 -7.105 353 H LYS 52 H LYS 52 -8.773 6.978 -10.767 354 HA LYS 52 HA LYS 52 -10.745 8.810 -10.828 355 HB2 LYS 52 1HB LYS 52 -9.964 6.728 -12.879 356 HB3 LYS 52 2HB LYS 52 -11.116 8.003 -13.220 357 HG2 LYS 52 1HG LYS 52 -9.487 9.598 -13.369 358 HG3 LYS 52 2HG LYS 52 -8.679 9.037 -11.919 359 HD2 LYS 52 1HD LYS 52 -7.477 7.322 -13.126 360 HD3 LYS 52 2HD LYS 52 -8.490 7.505 -14.545 361 HE2 LYS 52 1HE LYS 52 -7.560 10.060 -14.359 362 HE3 LYS 52 2HE LYS 52 -6.222 9.228 -13.592 363 HZ1 LYS 52 1HZ LYS 52 -5.849 7.980 -15.493 364 HZ2 LYS 52 2HZ LYS 52 -7.308 8.309 -16.149 365 HZ3 LYS 52 3HZ LYS 52 -6.164 9.472 -16.078 366 H ARG 53 H ARG 53 -11.142 5.221 -10.967 367 HA ARG 53 HA ARG 53 -13.806 5.154 -11.433 368 HB2 ARG 53 1HB ARG 53 -11.828 3.306 -10.784 369 HB3 ARG 53 2HB ARG 53 -12.879 3.196 -9.387 370 HG2 ARG 53 1HG ARG 53 -14.842 2.814 -10.884 371 HG3 ARG 53 2HG ARG 53 -13.804 2.946 -12.289 372 HD2 ARG 53 1HD ARG 53 -13.400 0.717 -12.127 373 HD3 ARG 53 2HD ARG 53 -12.522 1.029 -10.642 374 HE ARG 53 HE ARG 53 -14.339 0.200 -9.416 375 HH11 ARG 53 2HH2 ARG 53 -15.389 0.921 -12.696 376 HH12 ARG 53 1HH2 ARG 53 -16.953 0.205 -12.489 377 HH21 ARG 53 2HH1 ARG 53 -16.401 -0.746 -9.143 378 HH22 ARG 53 1HH1 ARG 53 -17.532 -0.750 -10.455 379 H LEU 54 H LEU 54 -12.136 5.127 -8.193 380 HA LEU 54 HA LEU 54 -14.518 5.294 -6.719 381 HB2 LEU 54 1HB LEU 54 -11.735 6.135 -5.903 382 HB3 LEU 54 2HB LEU 54 -13.073 5.758 -4.837 383 HG LEU 54 HG LEU 54 -12.003 3.697 -6.759 384 HD11 LEU 54 1HD1 LEU 54 -10.175 4.741 -5.283 385 HD12 LEU 54 2HD1 LEU 54 -11.000 3.937 -3.927 386 HD13 LEU 54 3HD1 LEU 54 -10.353 2.970 -5.274 387 HD21 LEU 54 1HD2 LEU 54 -12.776 2.323 -4.597 388 HD22 LEU 54 2HD2 LEU 54 -13.838 3.740 -4.420 389 HD23 LEU 54 3HD2 LEU 54 -13.890 2.770 -5.911 390 H LYS 55 H LYS 55 -12.380 7.710 -8.244 391 HA LYS 55 HA LYS 55 -13.502 9.925 -6.889 392 HB2 LYS 55 1HB LYS 55 -11.741 9.542 -9.298 393 HB3 LYS 55 2HB LYS 55 -12.422 11.120 -8.957 394 HG2 LYS 55 1HG LYS 55 -11.484 10.266 -6.449 395 HG3 LYS 55 2HG LYS 55 -10.265 9.671 -7.559 396 HD2 LYS 55 1HD LYS 55 -10.254 12.037 -8.603 397 HD3 LYS 55 2HD LYS 55 -11.219 12.548 -7.233 398 HE2 LYS 55 1HE LYS 55 -9.470 12.006 -5.660 399 HE3 LYS 55 2HE LYS 55 -8.578 11.080 -6.851 400 HZ1 LYS 55 1HZ LYS 55 -9.034 13.982 -6.948 401 HZ2 LYS 55 2HZ LYS 55 -7.630 13.246 -6.555 402 HZ3 LYS 55 3HZ LYS 55 -8.219 13.124 -8.073 403 H ALA 56 H ALA 56 -14.597 7.829 -9.439 404 HA ALA 56 HA ALA 56 -16.538 9.843 -10.309 405 HB1 ALA 56 1HB ALA 56 -16.733 7.429 -11.813 406 HB2 ALA 56 2HB ALA 56 -16.088 9.002 -12.341 407 HB3 ALA 56 3HB ALA 56 -15.000 7.790 -11.623 408 H THR 57 H THR 57 -16.092 7.202 -8.166 409 HA THR 57 HA THR 57 -18.748 6.135 -8.374 410 HB THR 57 HB THR 57 -16.345 5.187 -7.473 411 HG1 THR 57 1HG THR 57 -17.911 3.648 -6.311 412 HG21 THR 57 1HG2 THR 57 -17.965 5.646 -4.935 413 HG22 THR 57 2HG2 THR 57 -16.296 5.047 -5.087 414 HG23 THR 57 3HG2 THR 57 -16.656 6.763 -5.391 415 H GLY 58 H GLY 58 -17.248 8.874 -6.810 416 HA2 GLY 58 1HA GLY 58 -18.212 10.551 -5.645 417 HA3 GLY 58 2HA GLY 58 -19.778 9.799 -5.876 418 H LYS 59 H LYS 59 -16.681 8.940 -4.156 419 HA LYS 59 HA LYS 59 -18.345 8.352 -1.806 420 HB2 LYS 59 1HB LYS 59 -16.706 6.586 -3.284 421 HB3 LYS 59 2HB LYS 59 -15.832 6.923 -1.803 422 HG2 LYS 59 1HG LYS 59 -18.761 6.442 -1.458 423 HG3 LYS 59 2HG LYS 59 -17.844 5.058 -2.018 424 HD2 LYS 59 1HD LYS 59 -16.185 5.979 -0.021 425 HD3 LYS 59 2HD LYS 59 -17.745 6.458 0.617 426 HE2 LYS 59 1HE LYS 59 -18.453 3.974 -0.060 427 HE3 LYS 59 2HE LYS 59 -16.727 3.676 -0.006 428 HZ1 LYS 59 1HZ LYS 59 -18.335 4.799 2.183 429 HZ2 LYS 59 2HZ LYS 59 -17.721 3.287 2.118 430 HZ3 LYS 59 3HZ LYS 59 -16.719 4.571 2.237 431 H LYS 60 H LYS 60 -15.956 7.909 -0.141 432 HA LYS 60 HA LYS 60 -14.620 10.487 -0.239 433 HB2 LYS 60 1HB LYS 60 -15.198 11.095 2.013 434 HB3 LYS 60 2HB LYS 60 -16.674 10.856 1.098 435 HG2 LYS 60 1HG LYS 60 -16.878 8.541 2.038 436 HG3 LYS 60 2HG LYS 60 -15.408 8.790 2.961 437 HD2 LYS 60 1HD LYS 60 -17.087 9.308 4.534 438 HD3 LYS 60 2HD LYS 60 -16.618 10.892 3.950 439 HE2 LYS 60 1HE LYS 60 -18.548 11.045 2.502 440 HE3 LYS 60 2HE LYS 60 -18.914 9.340 2.683 441 HZ1 LYS 60 1HZ LYS 60 -20.332 10.280 4.162 442 HZ2 LYS 60 2HZ LYS 60 -19.075 9.994 5.163 443 HZ3 LYS 60 3HZ LYS 60 -19.328 11.498 4.580 444 H ALA 61 H ALA 61 -12.937 10.504 1.718 445 HA ALA 61 HA ALA 61 -11.732 7.823 1.709 446 HB1 ALA 61 1HB ALA 61 -9.991 10.107 2.351 447 HB2 ALA 61 2HB ALA 61 -9.762 8.794 1.172 448 HB3 ALA 61 3HB ALA 61 -10.729 10.223 0.736 449 H VAL 62 H VAL 62 -10.927 6.973 3.671 450 HA VAL 62 HA VAL 62 -12.061 8.279 6.020 451 HB VAL 62 HB VAL 62 -11.112 5.491 5.388 452 HG11 VAL 62 1HG1 VAL 62 -12.009 6.494 8.110 453 HG12 VAL 62 2HG1 VAL 62 -11.534 4.833 7.680 454 HG13 VAL 62 3HG1 VAL 62 -10.323 6.138 7.661 455 HG21 VAL 62 1HG2 VAL 62 -13.755 6.810 5.951 456 HG22 VAL 62 2HG2 VAL 62 -13.304 5.672 4.659 457 HG23 VAL 62 3HG2 VAL 62 -13.527 5.084 6.324 458 H LYS 63 H LYS 63 -10.747 8.410 8.019 459 HA LYS 63 HA LYS 63 -7.999 9.092 7.311 460 HB2 LYS 63 1HB LYS 63 -9.943 9.993 9.398 461 HB3 LYS 63 2HB LYS 63 -8.235 10.064 9.780 462 HG2 LYS 63 1HG LYS 63 -9.022 11.107 7.081 463 HG3 LYS 63 2HG LYS 63 -9.561 12.051 8.455 464 HD2 LYS 63 1HD LYS 63 -7.469 12.853 8.835 465 HD3 LYS 63 2HD LYS 63 -6.778 11.242 8.827 466 HE2 LYS 63 1HE LYS 63 -6.141 11.373 6.614 467 HE3 LYS 63 2HE LYS 63 -7.584 12.245 6.138 468 HZ1 LYS 63 1HZ LYS 63 -5.161 13.321 7.366 469 HZ2 LYS 63 2HZ LYS 63 -5.877 13.769 5.969 470 HZ3 LYS 63 3HZ LYS 63 -6.561 14.161 7.399 471 H ALA 64 H ALA 64 -6.716 7.297 7.391 472 HA ALA 64 HA ALA 64 -6.543 5.985 9.975 473 HB1 ALA 64 1HB ALA 64 -7.717 4.193 9.278 474 HB2 ALA 64 2HB ALA 64 -7.782 4.800 7.606 475 HB3 ALA 64 3HB ALA 64 -6.375 3.859 8.158 476 H VAL 65 H VAL 65 -4.544 4.462 9.953 477 HA VAL 65 HA VAL 65 -2.471 5.846 8.413 478 HB VAL 65 HB VAL 65 -2.401 4.247 10.977 479 HG11 VAL 65 1HG1 VAL 65 -0.330 3.710 10.107 480 HG12 VAL 65 2HG1 VAL 65 -0.196 5.231 9.191 481 HG13 VAL 65 3HG1 VAL 65 0.043 5.230 10.955 482 HG21 VAL 65 1HG2 VAL 65 -3.275 6.699 10.866 483 HG22 VAL 65 2HG2 VAL 65 -2.082 6.256 12.111 484 HG23 VAL 65 3HG2 VAL 65 -1.560 7.122 10.645 485 H LEU 66 H LEU 66 -1.400 4.793 6.808 486 HA LEU 66 HA LEU 66 -2.151 2.031 6.347 487 HB2 LEU 66 1HB LEU 66 -2.371 3.360 4.448 488 HB3 LEU 66 2HB LEU 66 -0.858 4.199 4.728 489 HG LEU 66 HG LEU 66 0.425 2.271 4.053 490 HD11 LEU 66 1HD1 LEU 66 -2.016 0.688 3.344 491 HD12 LEU 66 2HD1 LEU 66 -0.359 0.143 3.699 492 HD13 LEU 66 3HD1 LEU 66 -1.423 0.675 5.023 493 HD21 LEU 66 1HD2 LEU 66 -0.104 2.197 1.729 494 HD22 LEU 66 2HD2 LEU 66 -1.803 2.629 2.037 495 HD23 LEU 66 3HD2 LEU 66 -0.515 3.824 2.322 496 H TRP 67 H TRP 67 -0.976 0.398 7.179 497 HA TRP 67 HA TRP 67 1.800 0.980 7.897 498 HB2 TRP 67 1HB TRP 67 -0.043 -1.260 8.750 499 HB3 TRP 67 2HB TRP 67 1.623 -1.070 9.262 500 HD1 TRP 67 HD TRP 67 -1.737 0.897 9.550 501 HE1 TRP 67 1HE TRP 67 -1.802 2.297 11.786 502 HE3 TRP 67 3HE TRP 67 3.004 -0.223 11.007 503 HZ2 TRP 67 2HZ TRP 67 0.094 2.769 13.866 504 HZ3 TRP 67 3HZ TRP 67 3.820 0.748 13.153 505 HH2 TRP 67 HH TRP 67 2.449 2.198 14.565 506 H VAL 68 H VAL 68 3.507 -0.333 7.078 507 HA VAL 68 HA VAL 68 2.702 -2.213 4.973 508 HB VAL 68 HB VAL 68 5.123 -0.446 4.758 509 HG11 VAL 68 1HG1 VAL 68 3.651 -1.231 2.340 510 HG12 VAL 68 2HG1 VAL 68 5.385 -1.360 2.723 511 HG13 VAL 68 3HG1 VAL 68 4.252 -2.612 3.289 512 HG21 VAL 68 1HG2 VAL 68 3.439 0.801 3.077 513 HG22 VAL 68 2HG2 VAL 68 2.270 0.293 4.319 514 HG23 VAL 68 3HG2 VAL 68 3.664 1.304 4.769 515 H SER 69 H SER 69 3.573 -4.213 5.220 516 HA SER 69 HA SER 69 6.084 -4.397 6.635 517 HB2 SER 69 1HB SER 69 3.615 -6.002 7.435 518 HB3 SER 69 2HB SER 69 5.222 -6.223 8.096 519 HG SER 69 HG SER 69 5.020 -3.801 8.650 520 H ALA 70 H ALA 70 7.048 -6.665 6.390 521 HA ALA 70 HA ALA 70 7.046 -7.444 3.749 522 HB1 ALA 70 1HB ALA 70 7.682 -9.254 6.103 523 HB2 ALA 70 2HB ALA 70 8.428 -9.244 4.487 524 HB3 ALA 70 3HB ALA 70 8.737 -7.905 5.618 525 H ASP 71 H ASP 71 4.946 -8.409 6.466 526 HA ASP 71 HA ASP 71 3.926 -10.692 5.236 527 HB2 ASP 71 1HB ASP 71 3.727 -9.615 7.714 528 HB3 ASP 71 2HB ASP 71 2.206 -9.031 7.068 529 H GLY 72 H GLY 72 3.557 -7.292 4.656 530 HA2 GLY 72 1HA GLY 72 2.319 -7.043 2.436 531 HA3 GLY 72 2HA GLY 72 0.944 -7.650 3.336 532 H LEU 73 H LEU 73 -0.426 -5.974 3.774 533 HA LEU 73 HA LEU 73 0.800 -3.562 4.912 534 HB2 LEU 73 1HB LEU 73 -1.689 -3.344 3.292 535 HB3 LEU 73 2HB LEU 73 -0.445 -2.153 3.613 536 HG LEU 73 HG LEU 73 0.170 -4.548 1.899 537 HD11 LEU 73 1HD1 LEU 73 -0.933 -3.820 0.084 538 HD12 LEU 73 2HD1 LEU 73 -1.961 -2.976 1.267 539 HD13 LEU 73 3HD1 LEU 73 -0.636 -2.105 0.458 540 HD21 LEU 73 1HD2 LEU 73 1.677 -2.402 2.828 541 HD22 LEU 73 2HD2 LEU 73 2.106 -3.523 1.513 542 HD23 LEU 73 3HD2 LEU 73 1.302 -1.980 1.140 543 H ARG 74 H ARG 74 -1.119 -2.205 6.007 544 HA ARG 74 HA ARG 74 -3.142 -3.881 7.084 545 HB2 ARG 74 1HB ARG 74 -0.708 -3.105 8.692 546 HB3 ARG 74 2HB ARG 74 -2.256 -3.068 9.513 547 HG2 ARG 74 1HG ARG 74 -2.317 -5.504 8.103 548 HG3 ARG 74 2HG ARG 74 -0.656 -5.388 8.650 549 HD2 ARG 74 1HD ARG 74 -1.327 -5.183 10.968 550 HD3 ARG 74 2HD ARG 74 -3.001 -4.896 10.536 551 HE ARG 74 HE ARG 74 -2.528 -7.372 9.426 552 HH11 ARG 74 2HH2 ARG 74 -1.996 -6.051 12.643 553 HH12 ARG 74 1HH2 ARG 74 -2.200 -7.574 13.442 554 HH21 ARG 74 2HH1 ARG 74 -2.797 -9.382 10.479 555 HH22 ARG 74 1HH1 ARG 74 -2.659 -9.482 12.203 556 H VAL 75 H VAL 75 -4.833 -2.456 6.749 557 HA VAL 75 HA VAL 75 -4.366 0.378 7.050 558 HB VAL 75 HB VAL 75 -6.858 -1.171 6.315 559 HG11 VAL 75 1HG1 VAL 75 -7.445 1.040 7.058 560 HG12 VAL 75 2HG1 VAL 75 -6.147 1.770 6.083 561 HG13 VAL 75 3HG1 VAL 75 -7.543 1.010 5.281 562 HG21 VAL 75 1HG2 VAL 75 -4.587 -0.081 4.645 563 HG22 VAL 75 2HG2 VAL 75 -5.296 -1.714 4.642 564 HG23 VAL 75 3HG2 VAL 75 -6.211 -0.345 3.965 565 H VAL 76 H VAL 76 -4.067 0.860 9.223 566 HA VAL 76 HA VAL 76 -5.903 -0.261 11.152 567 HB VAL 76 HB VAL 76 -3.385 1.337 11.182 568 HG11 VAL 76 1HG1 VAL 76 -3.744 1.541 13.733 569 HG12 VAL 76 2HG1 VAL 76 -4.555 2.718 12.672 570 HG13 VAL 76 3HG1 VAL 76 -5.475 1.359 13.361 571 HG21 VAL 76 1HG2 VAL 76 -4.117 -0.895 13.059 572 HG22 VAL 76 2HG2 VAL 76 -3.712 -1.260 11.365 573 HG23 VAL 76 3HG2 VAL 76 -2.527 -0.434 12.405 574 H ASP 77 H ASP 77 -7.219 1.098 12.588 575 HA ASP 77 HA ASP 77 -8.229 3.360 11.085 576 HB2 ASP 77 1HB ASP 77 -9.783 1.503 11.827 577 HB3 ASP 77 2HB ASP 77 -9.419 1.906 13.493 578 H GLU 78 H GLU 78 -7.107 5.228 11.738 579 HA GLU 78 HA GLU 78 -5.679 5.652 13.916 580 HB2 GLU 78 1HB GLU 78 -7.439 7.527 12.321 581 HB3 GLU 78 2HB GLU 78 -6.543 8.143 13.695 582 HG2 GLU 78 1HG GLU 78 -4.652 6.581 12.301 583 HG3 GLU 78 2HG GLU 78 -5.566 7.368 11.029 584 H LYS 79 H LYS 79 -9.220 5.523 13.757 585 HA LYS 79 HA LYS 79 -10.038 6.861 15.937 586 HB2 LYS 79 1HB LYS 79 -11.342 5.404 14.263 587 HB3 LYS 79 2HB LYS 79 -11.021 4.067 15.348 588 HG2 LYS 79 1HG LYS 79 -12.219 6.669 16.373 589 HG3 LYS 79 2HG LYS 79 -13.231 5.417 15.683 590 HD2 LYS 79 1HD LYS 79 -13.057 4.095 17.536 591 HD3 LYS 79 2HD LYS 79 -11.323 4.320 17.641 592 HE2 LYS 79 1HE LYS 79 -11.829 6.688 18.568 593 HE3 LYS 79 2HE LYS 79 -13.496 6.167 18.717 594 HZ1 LYS 79 1HZ LYS 79 -12.603 5.620 20.729 595 HZ2 LYS 79 2HZ LYS 79 -12.450 4.194 19.947 596 HZ3 LYS 79 3HZ LYS 79 -11.153 5.169 20.128 597 H THR 80 H THR 80 -9.415 3.299 16.211 598 HA THR 80 HA THR 80 -8.163 3.874 18.817 599 HB THR 80 HB THR 80 -10.570 2.904 18.827 600 HG1 THR 80 1HG THR 80 -9.815 1.913 20.689 601 HG21 THR 80 1HG2 THR 80 -10.492 1.212 17.090 602 HG22 THR 80 2HG2 THR 80 -8.962 0.554 17.715 603 HG23 THR 80 3HG2 THR 80 -10.469 0.328 18.635 604 H LYS 81 H LYS 81 -7.160 3.422 15.918 605 HA LYS 81 HA LYS 81 -5.360 2.499 15.030 606 HB2 LYS 81 1HB LYS 81 -4.883 1.892 17.923 607 HB3 LYS 81 2HB LYS 81 -3.873 1.101 16.730 608 HG2 LYS 81 1HG LYS 81 -4.339 4.118 16.807 609 HG3 LYS 81 2HG LYS 81 -2.979 3.331 17.583 610 HD2 LYS 81 1HD LYS 81 -2.582 2.250 15.191 611 HD3 LYS 81 2HD LYS 81 -3.587 3.569 14.623 612 HE2 LYS 81 1HE LYS 81 -1.757 4.789 16.412 613 HE3 LYS 81 2HE LYS 81 -0.795 3.625 15.523 614 HZ1 LYS 81 1HZ LYS 81 -1.279 5.976 14.576 615 HZ2 LYS 81 2HZ LYS 81 -1.184 4.686 13.580 616 HZ3 LYS 81 3HZ LYS 81 -2.643 5.274 14.018 617 H ASP 82 H ASP 82 -8.086 0.995 15.888 618 HA ASP 82 HA ASP 82 -7.614 -1.664 15.977 619 HB2 ASP 82 1HB ASP 82 -9.842 -0.307 16.023 620 HB3 ASP 82 2HB ASP 82 -9.825 -0.443 14.276 621 H LEU 83 H LEU 83 -8.514 -3.134 13.892 622 HA LEU 83 HA LEU 83 -6.747 -2.366 11.682 623 HB2 LEU 83 1HB LEU 83 -6.356 -4.488 13.041 624 HB3 LEU 83 2HB LEU 83 -7.807 -5.120 12.286 625 HG LEU 83 HG LEU 83 -5.454 -5.664 11.297 626 HD11 LEU 83 1HD1 LEU 83 -7.914 -4.916 9.715 627 HD12 LEU 83 2HD1 LEU 83 -6.479 -5.651 8.959 628 HD13 LEU 83 3HD1 LEU 83 -7.362 -6.528 10.232 629 HD21 LEU 83 1HD2 LEU 83 -4.756 -3.271 11.182 630 HD22 LEU 83 2HD2 LEU 83 -4.613 -4.148 9.639 631 HD23 LEU 83 3HD2 LEU 83 -5.969 -3.025 9.902 632 H ILE 84 H ILE 84 -7.658 -1.712 9.811 633 HA ILE 84 HA ILE 84 -10.532 -2.051 9.552 634 HB ILE 84 HB ILE 84 -8.607 -0.466 7.851 635 HG12 ILE 84 1HG1 ILE 84 -10.312 0.526 10.152 636 HG13 ILE 84 2HG1 ILE 84 -8.593 0.207 10.265 637 HG21 ILE 84 1HG2 ILE 84 -10.388 0.392 6.732 638 HG22 ILE 84 2HG2 ILE 84 -11.067 -1.204 7.131 639 HG23 ILE 84 3HG2 ILE 84 -11.493 0.216 8.116 640 HD11 ILE 84 1HD1 ILE 84 -9.464 2.647 9.689 641 HD12 ILE 84 2HD1 ILE 84 -8.016 2.004 8.877 642 HD13 ILE 84 3HD1 ILE 84 -9.586 1.991 8.039 643 H VAL 85 H VAL 85 -7.503 -2.638 7.637 644 HA VAL 85 HA VAL 85 -8.866 -4.943 6.467 645 HB VAL 85 HB VAL 85 -7.489 -2.708 4.974 646 HG11 VAL 85 1HG1 VAL 85 -7.830 -4.081 2.930 647 HG12 VAL 85 2HG1 VAL 85 -6.669 -4.806 4.067 648 HG13 VAL 85 3HG1 VAL 85 -8.326 -5.446 3.959 649 HG21 VAL 85 1HG2 VAL 85 -9.528 -2.045 4.306 650 HG22 VAL 85 2HG2 VAL 85 -10.072 -3.712 4.006 651 HG23 VAL 85 3HG2 VAL 85 -10.147 -3.034 5.650 652 H ASP 86 H ASP 86 -7.368 -6.595 5.682 653 HA ASP 86 HA ASP 86 -4.674 -6.185 6.709 654 HB2 ASP 86 1HB ASP 86 -5.543 -7.631 8.347 655 HB3 ASP 86 2HB ASP 86 -6.632 -8.421 7.224 656 H GLN 87 H GLN 87 -3.833 -5.883 4.551 657 HA GLN 87 HA GLN 87 -4.439 -7.993 2.657 658 HB2 GLN 87 1HB GLN 87 -4.691 -5.590 1.965 659 HB3 GLN 87 2HB GLN 87 -2.976 -5.350 2.229 660 HG2 GLN 87 1HG GLN 87 -3.352 -5.776 -0.150 661 HG3 GLN 87 2HG GLN 87 -2.474 -7.130 0.532 662 HE21 GLN 87 1HE2 GLN 87 -3.149 -8.559 -1.017 663 HE22 GLN 87 2HE2 GLN 87 -4.760 -9.187 -1.119 664 H THR 88 H THR 88 -2.794 -9.288 1.690 665 HA THR 88 HA THR 88 -0.250 -9.222 3.168 666 HB THR 88 HB THR 88 -1.367 -11.306 3.565 667 HG1 THR 88 1HG THR 88 0.089 -12.687 2.359 668 HG21 THR 88 1HG2 THR 88 -3.156 -11.571 2.061 669 HG22 THR 88 2HG2 THR 88 -2.195 -11.018 0.669 670 HG23 THR 88 3HG2 THR 88 -1.958 -12.658 1.317 671 H ILE 89 H ILE 89 1.712 -9.185 2.115 672 HA ILE 89 HA ILE 89 1.814 -7.857 -0.301 673 HB ILE 89 HB ILE 89 3.560 -8.367 1.625 674 HG12 ILE 89 1HG1 ILE 89 5.341 -7.538 0.076 675 HG13 ILE 89 2HG1 ILE 89 4.241 -7.770 -1.268 676 HG21 ILE 89 1HG2 ILE 89 3.726 -10.778 0.971 677 HG22 ILE 89 2HG2 ILE 89 4.490 -10.256 -0.550 678 HG23 ILE 89 3HG2 ILE 89 5.279 -9.908 1.007 679 HD11 ILE 89 1HD1 ILE 89 4.330 -5.600 0.698 680 HD12 ILE 89 2HD1 ILE 89 3.471 -5.676 -0.859 681 HD13 ILE 89 3HD1 ILE 89 2.710 -6.334 0.610 682 H GLU 90 H GLU 90 1.408 -11.288 0.432 683 HA GLU 90 HA GLU 90 2.316 -12.350 -1.930 684 HB2 GLU 90 1HB GLU 90 0.161 -13.213 0.027 685 HB3 GLU 90 2HB GLU 90 0.532 -14.178 -1.389 686 HG2 GLU 90 1HG GLU 90 2.488 -13.378 0.816 687 HG3 GLU 90 2HG GLU 90 1.841 -14.983 0.535 688 H LYS 91 H LYS 91 -1.172 -11.743 -1.062 689 HA LYS 91 HA LYS 91 -2.253 -12.163 -3.511 690 HB2 LYS 91 1HB LYS 91 -2.987 -10.546 -1.126 691 HB3 LYS 91 2HB LYS 91 -3.847 -10.177 -2.607 692 HG2 LYS 91 1HG LYS 91 -5.179 -11.961 -2.164 693 HG3 LYS 91 2HG LYS 91 -3.815 -12.985 -2.568 694 HD2 LYS 91 1HD LYS 91 -3.104 -13.111 -0.249 695 HD3 LYS 91 2HD LYS 91 -4.207 -11.836 0.228 696 HE2 LYS 91 1HE LYS 91 -5.462 -14.207 -1.107 697 HE3 LYS 91 2HE LYS 91 -4.779 -14.501 0.479 698 HZ1 LYS 91 1HZ LYS 91 -6.518 -13.503 1.346 699 HZ2 LYS 91 2HZ LYS 91 -6.184 -12.109 0.564 700 HZ3 LYS 91 3HZ LYS 91 -7.152 -13.224 -0.133 701 H VAL 92 H VAL 92 -0.893 -9.048 -2.249 702 HA VAL 92 HA VAL 92 -1.426 -7.430 -4.353 703 HB VAL 92 HB VAL 92 1.055 -7.625 -2.638 704 HG11 VAL 92 1HG1 VAL 92 0.423 -4.972 -3.677 705 HG12 VAL 92 2HG1 VAL 92 1.968 -5.856 -3.661 706 HG13 VAL 92 3HG1 VAL 92 0.799 -6.131 -4.975 707 HG21 VAL 92 1HG2 VAL 92 -1.022 -7.288 -1.383 708 HG22 VAL 92 2HG2 VAL 92 -0.011 -5.823 -1.341 709 HG23 VAL 92 3HG2 VAL 92 -1.431 -5.894 -2.412 710 H SER 93 H SER 93 -1.364 -8.136 -6.456 711 HA SER 93 HA SER 93 0.851 -9.720 -7.311 712 HB2 SER 93 1HB SER 93 -1.527 -8.554 -8.825 713 HB3 SER 93 2HB SER 93 -0.341 -9.628 -9.541 714 HG SER 93 HG SER 93 -2.220 -10.202 -7.426 715 H PHE 94 H PHE 94 -0.524 -6.430 -7.977 716 HA PHE 94 HA PHE 94 2.156 -5.622 -8.820 717 HB2 PHE 94 1HB PHE 94 0.552 -6.134 -10.774 718 HB3 PHE 94 2HB PHE 94 -0.529 -4.908 -10.143 719 HD1 PHE 94 1HD PHE 94 3.031 -5.286 -11.207 720 HD2 PHE 94 2HD PHE 94 -0.381 -2.771 -11.005 721 HE1 PHE 94 1HE PHE 94 4.244 -3.533 -12.531 722 HE2 PHE 94 2HE PHE 94 0.832 -1.018 -12.329 723 HZ PHE 94 HZ PHE 94 3.131 -1.420 -13.077 724 H CYS 95 H CYS 95 2.583 -3.315 -8.561 725 HA CYS 95 HA CYS 95 0.559 -1.742 -7.274 726 HB2 CYS 95 1HB CYS 95 2.238 -1.235 -5.340 727 HB3 CYS 95 2HB CYS 95 1.188 -2.634 -5.236 728 HG CYS 95 HG CYS 95 2.830 -4.352 -5.214 729 H ALA 96 H ALA 96 0.776 0.188 -8.348 730 HA ALA 96 HA ALA 96 3.503 1.125 -8.873 731 HB1 ALA 96 1HB ALA 96 1.329 1.589 -10.900 732 HB2 ALA 96 2HB ALA 96 3.093 1.501 -11.125 733 HB3 ALA 96 3HB ALA 96 2.153 0.011 -10.870 734 HA PRO 97 HA PRO 97 1.916 4.824 -7.294 735 HB2 PRO 97 1HB PRO 97 3.609 6.674 -8.380 736 HB3 PRO 97 2HB PRO 97 4.026 5.693 -6.989 737 HG2 PRO 97 1HG PRO 97 4.949 5.431 -9.786 738 HG3 PRO 97 2HG PRO 97 5.655 4.760 -8.329 739 HD2 PRO 97 1HD PRO 97 4.091 3.358 -10.282 740 HD3 PRO 97 2HD PRO 97 4.699 2.716 -8.769 741 H ASP 98 H ASP 98 1.799 7.412 -8.298 742 HA ASP 98 HA ASP 98 0.228 7.027 -10.702 743 HB2 ASP 98 1HB ASP 98 -0.682 8.410 -8.141 744 HB3 ASP 98 2HB ASP 98 -1.462 8.696 -9.684 745 H ARG 99 H ARG 99 -0.405 9.403 -11.556 746 HA ARG 99 HA ARG 99 1.673 11.267 -10.772 747 HB2 ARG 99 1HB ARG 99 2.585 10.307 -12.786 748 HB3 ARG 99 2HB ARG 99 1.026 10.297 -13.587 749 HG2 ARG 99 1HG ARG 99 1.133 12.543 -14.146 750 HG3 ARG 99 2HG ARG 99 1.995 12.982 -12.684 751 HD2 ARG 99 1HD ARG 99 3.798 13.178 -14.094 752 HD3 ARG 99 2HD ARG 99 3.909 11.440 -13.900 753 HE ARG 99 HE ARG 99 2.102 12.328 -16.056 754 HH11 ARG 99 2HH2 ARG 99 5.354 11.298 -15.191 755 HH12 ARG 99 1HH2 ARG 99 5.774 10.836 -16.807 756 HH21 ARG 99 2HH1 ARG 99 2.656 11.719 -18.187 757 HH22 ARG 99 1HH1 ARG 99 4.230 11.077 -18.522 758 H ASN 100 H ASN 100 -1.372 10.639 -12.627 759 HA ASN 100 HA ASN 100 -2.202 13.038 -13.297 760 HB2 ASN 100 1HB ASN 100 -4.002 11.123 -11.727 761 HB3 ASN 100 2HB ASN 100 -4.512 12.258 -12.962 762 HD21 ASN 100 1HD2 ASN 100 -4.387 9.191 -12.527 763 HD22 ASN 100 2HD2 ASN 100 -3.835 8.568 -14.046 764 H PHE 101 H PHE 101 -2.681 11.557 -9.997 765 HA PHE 101 HA PHE 101 -3.512 14.114 -8.943 766 HB2 PHE 101 1HB PHE 101 -2.891 11.518 -7.442 767 HB3 PHE 101 2HB PHE 101 -4.056 12.748 -6.994 768 HD1 PHE 101 1HD PHE 101 -3.404 9.926 -9.254 769 HD2 PHE 101 2HD PHE 101 -6.270 12.760 -7.927 770 HE1 PHE 101 1HE PHE 101 -5.223 8.615 -10.383 771 HE2 PHE 101 2HE PHE 101 -8.089 11.449 -9.055 772 HZ PHE 101 HZ PHE 101 -7.544 9.393 -10.270 773 H ASP 102 H ASP 102 -2.489 13.987 -6.324 774 HA ASP 102 HA ASP 102 0.331 14.440 -6.894 775 HB2 ASP 102 1HB ASP 102 -1.658 16.055 -5.637 776 HB3 ASP 102 2HB ASP 102 -0.595 15.529 -4.346 777 H ARG 103 H ARG 103 -2.127 12.947 -4.755 778 HA ARG 103 HA ARG 103 -0.035 11.282 -3.677 779 HB2 ARG 103 1HB ARG 103 -1.177 11.518 -1.355 780 HB3 ARG 103 2HB ARG 103 -0.174 12.854 -1.883 781 HG2 ARG 103 1HG ARG 103 -2.467 13.757 -2.923 782 HG3 ARG 103 2HG ARG 103 -3.189 12.688 -1.737 783 HD2 ARG 103 1HD ARG 103 -2.859 14.277 -0.151 784 HD3 ARG 103 2HD ARG 103 -1.128 14.076 -0.342 785 HE ARG 103 HE ARG 103 -2.804 16.177 -1.590 786 HH11 ARG 103 2HH2 ARG 103 0.352 14.637 -1.371 787 HH12 ARG 103 1HH2 ARG 103 1.196 15.974 -2.078 788 HH21 ARG 103 2HH1 ARG 103 -1.691 17.942 -2.522 789 HH22 ARG 103 1HH1 ARG 103 0.026 17.867 -2.737 790 H ALA 104 H ALA 104 -1.200 9.867 -5.317 791 HA ALA 104 HA ALA 104 -3.506 8.612 -4.021 792 HB1 ALA 104 1HB ALA 104 -4.880 8.906 -5.806 793 HB2 ALA 104 2HB ALA 104 -3.792 10.259 -6.200 794 HB3 ALA 104 3HB ALA 104 -3.563 8.677 -6.982 795 H PHE 105 H PHE 105 -2.633 6.684 -3.398 796 HA PHE 105 HA PHE 105 -1.033 5.286 -5.426 797 HB2 PHE 105 1HB PHE 105 0.405 5.706 -3.555 798 HB3 PHE 105 2HB PHE 105 -0.916 5.626 -2.406 799 HD1 PHE 105 1HD PHE 105 1.090 3.480 -4.692 800 HD2 PHE 105 2HD PHE 105 -1.258 3.687 -1.163 801 HE1 PHE 105 1HE PHE 105 1.715 1.113 -4.137 802 HE2 PHE 105 2HE PHE 105 -0.633 1.320 -0.609 803 HZ PHE 105 HZ PHE 105 0.846 0.062 -2.102 804 H SER 106 H SER 106 -1.720 3.275 -6.071 805 HA SER 106 HA SER 106 -3.649 1.948 -4.366 806 HB2 SER 106 1HB SER 106 -4.979 1.375 -6.496 807 HB3 SER 106 2HB SER 106 -5.148 3.005 -5.874 808 HG SER 106 HG SER 106 -4.080 3.832 -7.583 809 H TYR 107 H TYR 107 -3.625 -0.375 -4.593 810 HA TYR 107 HA TYR 107 -1.600 -1.405 -6.451 811 HB2 TYR 107 1HB TYR 107 -0.699 -2.718 -4.585 812 HB3 TYR 107 2HB TYR 107 -0.858 -1.082 -3.978 813 HD1 TYR 107 1HD TYR 107 -2.756 -4.311 -4.145 814 HD2 TYR 107 2HD TYR 107 -1.985 -0.709 -1.967 815 HE1 TYR 107 1HE TYR 107 -4.191 -5.156 -2.224 816 HE2 TYR 107 2HE TYR 107 -3.423 -1.567 -0.054 817 HH TYR 107 HH TYR 107 -5.238 -3.123 0.273 818 H ILE 108 H ILE 108 -2.025 -3.472 -7.309 819 HA ILE 108 HA ILE 108 -4.791 -4.290 -7.001 820 HB ILE 108 HB ILE 108 -2.623 -5.136 -8.924 821 HG12 ILE 108 1HG1 ILE 108 -4.941 -3.206 -9.158 822 HG13 ILE 108 2HG1 ILE 108 -3.233 -2.864 -9.346 823 HG21 ILE 108 1HG2 ILE 108 -4.486 -6.830 -8.321 824 HG22 ILE 108 2HG2 ILE 108 -5.550 -5.747 -9.250 825 HG23 ILE 108 3HG2 ILE 108 -4.140 -6.497 -10.035 826 HD11 ILE 108 1HD1 ILE 108 -3.635 -4.913 -11.195 827 HD12 ILE 108 2HD1 ILE 108 -5.146 -3.977 -11.296 828 HD13 ILE 108 3HD1 ILE 108 -3.581 -3.174 -11.573 829 H CYS 109 H CYS 109 -5.451 -6.370 -6.316 830 HA CYS 109 HA CYS 109 -3.443 -8.239 -5.494 831 HB2 CYS 109 1HB CYS 109 -3.854 -8.266 -3.164 832 HB3 CYS 109 2HB CYS 109 -3.574 -6.586 -3.576 833 HG CYS 109 HG CYS 109 -6.075 -8.096 -2.338 834 H ARG 110 H ARG 110 -4.349 -10.341 -5.468 835 HA ARG 110 HA ARG 110 -6.932 -10.507 -6.604 836 HB2 ARG 110 1HB ARG 110 -4.889 -12.045 -7.051 837 HB3 ARG 110 2HB ARG 110 -5.255 -12.818 -5.522 838 HG2 ARG 110 1HG ARG 110 -7.744 -12.711 -6.860 839 HG3 ARG 110 2HG ARG 110 -6.595 -13.114 -8.120 840 HD2 ARG 110 1HD ARG 110 -6.831 -14.588 -5.450 841 HD3 ARG 110 2HD ARG 110 -7.524 -15.146 -6.960 842 HE ARG 110 HE ARG 110 -4.711 -14.607 -7.313 843 HH11 ARG 110 2HH2 ARG 110 -6.915 -16.947 -5.882 844 HH12 ARG 110 1HH2 ARG 110 -5.800 -18.267 -6.010 845 HH21 ARG 110 2HH1 ARG 110 -3.239 -16.348 -7.482 846 HH22 ARG 110 1HH1 ARG 110 -3.695 -17.923 -6.926 847 H ASP 111 H ASP 111 -8.550 -9.884 -5.118 848 HA ASP 111 HA ASP 111 -8.550 -10.259 -2.459 849 HB2 ASP 111 1HB ASP 111 -10.263 -9.035 -3.909 850 HB3 ASP 111 2HB ASP 111 -10.999 -10.588 -4.253 851 H GLY 112 H GLY 112 -9.730 -11.888 -1.065 852 HA2 GLY 112 1HA GLY 112 -9.746 -14.569 -2.315 853 HA3 GLY 112 2HA GLY 112 -9.255 -14.237 -0.666 854 H THR 113 H THR 113 -11.283 -12.354 0.102 855 HA THR 113 HA THR 113 -13.305 -14.074 0.922 856 HB THR 113 HB THR 113 -14.438 -11.769 1.418 857 HG1 THR 113 1HG THR 113 -12.778 -10.042 1.034 858 HG21 THR 113 1HG2 THR 113 -13.090 -11.456 3.297 859 HG22 THR 113 2HG2 THR 113 -12.516 -13.076 2.833 860 HG23 THR 113 3HG2 THR 113 -11.584 -11.634 2.366 861 H THR 114 H THR 114 -13.295 -11.671 -1.784 862 HA THR 114 HA THR 114 -15.896 -12.644 -2.621 863 HB THR 114 HB THR 114 -13.978 -10.490 -3.653 864 HG1 THR 114 1HG THR 114 -16.580 -10.513 -2.293 865 HG21 THR 114 1HG2 THR 114 -15.764 -9.720 -5.070 866 HG22 THR 114 2HG2 THR 114 -15.667 -11.470 -5.382 867 HG23 THR 114 3HG2 THR 114 -16.938 -10.824 -4.315 868 H ARG 115 H ARG 115 -12.510 -13.253 -3.265 869 HA ARG 115 HA ARG 115 -11.575 -14.783 -4.487 870 HB2 ARG 115 1HB ARG 115 -14.315 -15.592 -5.576 871 HB3 ARG 115 2HB ARG 115 -12.855 -16.560 -5.608 872 HG2 ARG 115 1HG ARG 115 -13.814 -15.574 -2.926 873 HG3 ARG 115 2HG ARG 115 -14.726 -16.861 -3.688 874 HD2 ARG 115 1HD ARG 115 -11.714 -16.925 -3.160 875 HD3 ARG 115 2HD ARG 115 -12.921 -17.741 -2.187 876 HE ARG 115 HE ARG 115 -13.069 -18.429 -5.034 877 HH11 ARG 115 2HH2 ARG 115 -11.569 -19.212 -1.948 878 HH12 ARG 115 1HH2 ARG 115 -11.186 -20.839 -2.402 879 HH21 ARG 115 2HH1 ARG 115 -12.564 -20.575 -5.633 880 HH22 ARG 115 1HH1 ARG 115 -11.756 -21.620 -4.512 881 H ARG 116 H ARG 116 -11.481 -12.251 -5.450 882 HA ARG 116 HA ARG 116 -11.432 -12.714 -8.259 883 HB2 ARG 116 1HB ARG 116 -12.769 -10.699 -8.848 884 HB3 ARG 116 2HB ARG 116 -13.746 -11.861 -7.973 885 HG2 ARG 116 1HG ARG 116 -14.082 -10.430 -6.230 886 HG3 ARG 116 2HG ARG 116 -12.382 -10.014 -6.136 887 HD2 ARG 116 1HD ARG 116 -13.684 -8.006 -6.709 888 HD3 ARG 116 2HD ARG 116 -12.657 -8.436 -8.061 889 HE ARG 116 HE ARG 116 -14.574 -9.174 -9.290 890 HH11 ARG 116 2HH2 ARG 116 -15.423 -8.079 -6.055 891 HH12 ARG 116 1HH2 ARG 116 -17.116 -7.961 -6.401 892 HH21 ARG 116 2HH1 ARG 116 -16.808 -9.018 -9.747 893 HH22 ARG 116 1HH1 ARG 116 -17.909 -8.499 -8.515 894 H TRP 117 H TRP 117 -10.919 -10.109 -9.173 895 HA TRP 117 HA TRP 117 -8.456 -9.526 -7.730 896 HB2 TRP 117 1HB TRP 117 -9.295 -8.307 -10.344 897 HB3 TRP 117 2HB TRP 117 -7.683 -8.509 -9.686 898 HD1 TRP 117 HD TRP 117 -10.431 -10.537 -11.483 899 HE1 TRP 117 1HE TRP 117 -9.458 -12.768 -12.501 900 HE3 TRP 117 3HE TRP 117 -5.837 -10.131 -9.340 901 HZ2 TRP 117 2HZ TRP 117 -6.934 -14.084 -12.301 902 HZ3 TRP 117 3HZ TRP 117 -4.177 -11.932 -9.803 903 HH2 TRP 117 HH TRP 117 -4.663 -13.858 -11.226 904 H ILE 118 H ILE 118 -8.347 -7.802 -6.350 905 HA ILE 118 HA ILE 118 -10.262 -5.629 -6.780 906 HB ILE 118 HB ILE 118 -9.737 -7.138 -4.228 907 HG12 ILE 118 1HG1 ILE 118 -11.520 -7.930 -5.809 908 HG13 ILE 118 2HG1 ILE 118 -12.076 -7.533 -4.195 909 HG21 ILE 118 1HG2 ILE 118 -11.401 -5.251 -3.369 910 HG22 ILE 118 2HG2 ILE 118 -9.632 -5.059 -3.308 911 HG23 ILE 118 3HG2 ILE 118 -10.565 -4.302 -4.622 912 HD11 ILE 118 1HD1 ILE 118 -12.640 -6.166 -6.789 913 HD12 ILE 118 2HD1 ILE 118 -13.668 -6.339 -5.346 914 HD13 ILE 118 3HD1 ILE 118 -12.395 -5.096 -5.387 915 H CYS 119 H CYS 119 -9.382 -3.598 -6.621 916 HA CYS 119 HA CYS 119 -6.548 -3.554 -5.895 917 HB2 CYS 119 1HB CYS 119 -6.961 -2.934 -8.221 918 HB3 CYS 119 2HB CYS 119 -8.118 -1.712 -7.728 919 HG CYS 119 HG CYS 119 -6.414 -0.358 -6.207 920 H HIS 120 H HIS 120 -5.858 -2.067 -4.298 921 HA HIS 120 HA HIS 120 -8.047 -0.639 -2.973 922 HB2 HIS 120 1HB HIS 120 -5.503 -1.820 -1.826 923 HB3 HIS 120 2HB HIS 120 -6.607 -0.799 -0.926 924 HD1 HIS 120 1HD HIS 120 -8.980 -1.806 -0.332 925 HD2 HIS 120 2HD HIS 120 -6.329 -4.480 -2.183 926 HE1 HIS 120 1HE HIS 120 -9.964 -4.136 0.004 927 H CYS 121 H CYS 121 -7.984 1.548 -3.083 928 HA CYS 121 HA CYS 121 -5.450 2.727 -3.927 929 HB2 CYS 121 1HB CYS 121 -8.138 4.110 -3.973 930 HB3 CYS 121 2HB CYS 121 -6.680 4.534 -4.847 931 HG CYS 121 HG CYS 121 -7.720 3.577 -6.798 932 H PHE 122 H PHE 122 -4.765 4.752 -2.825 933 HA PHE 122 HA PHE 122 -6.090 5.327 -0.316 934 HB2 PHE 122 1HB PHE 122 -3.141 4.497 -0.623 935 HB3 PHE 122 2HB PHE 122 -3.861 5.051 0.876 936 HD1 PHE 122 1HD PHE 122 -3.767 2.292 -1.556 937 HD2 PHE 122 2HD PHE 122 -5.199 3.588 2.222 938 HE1 PHE 122 1HE PHE 122 -4.395 -0.070 -0.984 939 HE2 PHE 122 2HE PHE 122 -5.827 1.226 2.795 940 HZ PHE 122 HZ PHE 122 -5.418 -0.574 1.185 941 H MET 123 H MET 123 -6.117 7.508 0.000 942 HA MET 123 HA MET 123 -4.390 9.059 -1.726 943 HB2 MET 123 1HB MET 123 -7.062 9.344 -0.478 944 HB3 MET 123 2HB MET 123 -6.097 10.791 -0.269 945 HG2 MET 123 1HG MET 123 -6.111 9.542 -3.010 946 HG3 MET 123 2HG MET 123 -7.579 10.349 -2.495 947 HE1 MET 123 1HE MET 123 -4.979 12.583 -4.823 948 HE2 MET 123 2HE MET 123 -4.508 10.905 -4.462 949 HE3 MET 123 3HE MET 123 -6.179 11.275 -4.949 950 H ALA 124 H ALA 124 -2.363 9.185 -0.740 951 HA ALA 124 HA ALA 124 -1.744 9.196 1.880 952 HB1 ALA 124 1HB ALA 124 -0.459 9.726 -0.550 953 HB2 ALA 124 2HB ALA 124 -0.180 11.192 0.420 954 HB3 ALA 124 3HB ALA 124 0.311 9.602 1.050 955 H VAL 125 H VAL 125 -1.320 10.847 3.498 956 HA VAL 125 HA VAL 125 -3.301 12.955 3.351 957 HB VAL 125 HB VAL 125 -1.506 11.892 5.535 958 HG11 VAL 125 1HG1 VAL 125 -2.143 14.456 5.534 959 HG12 VAL 125 2HG1 VAL 125 -3.716 13.841 6.095 960 HG13 VAL 125 3HG1 VAL 125 -2.239 13.490 7.025 961 HG21 VAL 125 1HG2 VAL 125 -3.355 10.785 6.377 962 HG22 VAL 125 2HG2 VAL 125 -4.511 11.878 5.578 963 HG23 VAL 125 3HG2 VAL 125 -3.637 10.654 4.625 964 H LYS 126 H LYS 126 0.207 12.737 4.301 965 HA LYS 126 HA LYS 126 0.585 15.280 2.898 966 HB2 LYS 126 1HB LYS 126 2.023 16.063 4.747 967 HB3 LYS 126 2HB LYS 126 0.347 15.873 5.223 968 HG2 LYS 126 1HG LYS 126 0.960 13.544 6.104 969 HG3 LYS 126 2HG LYS 126 2.640 13.945 5.806 970 HD2 LYS 126 1HD LYS 126 2.751 15.429 7.574 971 HD3 LYS 126 2HD LYS 126 1.109 15.997 7.346 972 HE2 LYS 126 1HE LYS 126 1.193 13.164 8.170 973 HE3 LYS 126 2HE LYS 126 1.986 14.210 9.332 974 HZ1 LYS 126 1HZ LYS 126 -0.576 15.063 8.280 975 HZ2 LYS 126 2HZ LYS 126 -0.569 13.848 9.370 976 HZ3 LYS 126 3HZ LYS 126 0.068 15.300 9.762 977 H ASP 127 H ASP 127 1.018 12.735 1.785 978 HA ASP 127 HA ASP 127 3.923 12.784 1.705 979 HB2 ASP 127 1HB ASP 127 2.420 10.699 2.824 980 HB3 ASP 127 2HB ASP 127 2.713 10.131 1.193 981 H THR 128 H THR 128 4.015 10.572 -0.260 982 HA THR 128 HA THR 128 2.278 11.454 -2.427 983 HB THR 128 HB THR 128 4.391 12.888 -2.432 984 HG1 THR 128 1HG THR 128 3.795 10.852 -4.451 985 HG21 THR 128 1HG2 THR 128 6.015 11.120 -1.672 986 HG22 THR 128 2HG2 THR 128 5.674 10.201 -3.158 987 HG23 THR 128 3HG2 THR 128 6.463 11.793 -3.258 988 H GLY 129 H GLY 129 1.765 9.858 -3.883 989 HA2 GLY 129 1HA GLY 129 1.722 7.264 -3.171 990 HA3 GLY 129 2HA GLY 129 1.766 7.805 -4.837 991 H GLU 130 H GLU 130 4.465 9.020 -4.696 992 HA GLU 130 HA GLU 130 5.950 6.929 -5.544 993 HB2 GLU 130 1HB GLU 130 6.347 9.707 -5.005 994 HB3 GLU 130 2HB GLU 130 7.690 8.863 -4.259 995 HG2 GLU 130 1HG GLU 130 8.552 9.052 -6.399 996 HG3 GLU 130 2HG GLU 130 7.703 7.531 -6.596 997 H ARG 131 H ARG 131 6.193 8.501 -2.266 998 HA ARG 131 HA ARG 131 7.972 6.668 -1.264 999 HB2 ARG 131 1HB ARG 131 6.034 8.656 -0.106 1000 HB3 ARG 131 2HB ARG 131 6.661 7.450 1.001 1001 HG2 ARG 131 1HG ARG 131 8.668 8.503 1.119 1002 HG3 ARG 131 2HG ARG 131 8.844 8.476 -0.625 1003 HD2 ARG 131 1HD ARG 131 6.839 10.460 0.244 1004 HD3 ARG 131 2HD ARG 131 8.408 10.758 0.966 1005 HE ARG 131 HE ARG 131 8.560 10.185 -1.902 1006 HH11 ARG 131 2HH2 ARG 131 8.077 12.703 0.507 1007 HH12 ARG 131 1HH2 ARG 131 8.575 13.985 -0.547 1008 HH21 ARG 131 2HH1 ARG 131 9.216 11.875 -3.293 1009 HH22 ARG 131 1HH1 ARG 131 9.227 13.510 -2.723 1010 H LEU 132 H LEU 132 4.408 6.629 -1.543 1011 HA LEU 132 HA LEU 132 3.946 4.514 0.246 1012 HB2 LEU 132 1HB LEU 132 2.418 5.772 -2.010 1013 HB3 LEU 132 2HB LEU 132 1.818 4.321 -1.232 1014 HG LEU 132 HG LEU 132 2.274 5.823 0.964 1015 HD11 LEU 132 1HD1 LEU 132 2.261 7.700 -1.298 1016 HD12 LEU 132 2HD1 LEU 132 1.107 8.103 -0.003 1017 HD13 LEU 132 3HD1 LEU 132 2.836 7.908 0.374 1018 HD21 LEU 132 1HD2 LEU 132 -0.264 6.222 -0.613 1019 HD22 LEU 132 2HD2 LEU 132 0.167 4.644 0.089 1020 HD23 LEU 132 3HD2 LEU 132 -0.045 6.060 1.146 1021 H SER 133 H SER 133 4.534 4.653 -3.318 1022 HA SER 133 HA SER 133 4.172 1.941 -3.730 1023 HB2 SER 133 1HB SER 133 4.665 2.462 -5.894 1024 HB3 SER 133 2HB SER 133 4.627 4.120 -5.327 1025 HG SER 133 HG SER 133 6.899 4.119 -5.113 1026 H HIS 134 H HIS 134 6.770 3.776 -2.261 1027 HA HIS 134 HA HIS 134 8.836 1.916 -2.787 1028 HB2 HIS 134 1HB HIS 134 9.247 4.283 -2.287 1029 HB3 HIS 134 2HB HIS 134 8.584 4.079 -0.678 1030 HD1 HIS 134 1HD HIS 134 10.698 4.551 0.662 1031 HD2 HIS 134 2HD HIS 134 11.219 1.554 -2.227 1032 HE1 HIS 134 1HE HIS 134 12.989 3.519 1.107 1033 H ALA 135 H ALA 135 6.919 2.685 0.210 1034 HA ALA 135 HA ALA 135 7.892 0.703 1.807 1035 HB1 ALA 135 1HB ALA 135 5.409 0.802 2.723 1036 HB2 ALA 135 2HB ALA 135 6.478 2.220 2.856 1037 HB3 ALA 135 3HB ALA 135 5.259 2.142 1.561 1038 H VAL 136 H VAL 136 4.889 0.483 -0.242 1039 HA VAL 136 HA VAL 136 4.476 -2.219 0.187 1040 HB VAL 136 HB VAL 136 2.872 -0.589 -0.749 1041 HG11 VAL 136 1HG1 VAL 136 3.193 0.548 -2.655 1042 HG12 VAL 136 2HG1 VAL 136 4.888 0.014 -2.553 1043 HG13 VAL 136 3HG1 VAL 136 3.723 -0.907 -3.534 1044 HG21 VAL 136 1HG2 VAL 136 1.900 -2.587 -1.127 1045 HG22 VAL 136 2HG2 VAL 136 2.327 -2.289 -2.829 1046 HG23 VAL 136 3HG2 VAL 136 3.385 -3.293 -1.809 1047 H GLY 137 H GLY 137 6.715 -0.490 -1.966 1048 HA2 GLY 137 1HA GLY 137 7.352 -2.853 -3.507 1049 HA3 GLY 137 2HA GLY 137 8.086 -1.266 -3.618 1050 H CYS 138 H CYS 138 8.096 -1.745 -0.363 1051 HA CYS 138 HA CYS 138 10.838 -2.648 -0.442 1052 HB2 CYS 138 1HB CYS 138 9.122 -1.421 1.730 1053 HB3 CYS 138 2HB CYS 138 10.723 -2.059 2.046 1054 HG CYS 138 HG CYS 138 10.775 0.578 1.780 1055 H ALA 139 H ALA 139 7.781 -3.389 1.404 1056 HA ALA 139 HA ALA 139 8.666 -5.697 2.617 1057 HB1 ALA 139 1HB ALA 139 5.986 -6.154 2.199 1058 HB2 ALA 139 2HB ALA 139 6.651 -5.128 3.493 1059 HB3 ALA 139 3HB ALA 139 6.090 -4.392 1.972 1060 H PHE 140 H PHE 140 7.428 -5.124 -0.696 1061 HA PHE 140 HA PHE 140 7.002 -7.775 -1.398 1062 HB2 PHE 140 1HB PHE 140 6.825 -5.223 -2.516 1063 HB3 PHE 140 2HB PHE 140 8.195 -5.867 -3.399 1064 HD1 PHE 140 2HD PHE 140 4.625 -6.444 -2.623 1065 HD2 PHE 140 1HD PHE 140 7.892 -7.436 -5.143 1066 HE1 PHE 140 2HE PHE 140 3.061 -7.638 -4.181 1067 HE2 PHE 140 1HE PHE 140 6.328 -8.631 -6.701 1068 HZ PHE 140 HZ PHE 140 3.931 -8.717 -6.201 1069 H ALA 141 H ALA 141 9.922 -5.670 -1.929 1070 HA ALA 141 HA ALA 141 11.465 -7.667 -3.112 1071 HB1 ALA 141 1HB ALA 141 12.132 -5.125 -1.587 1072 HB2 ALA 141 2HB ALA 141 13.368 -6.129 -2.382 1073 HB3 ALA 141 3HB ALA 141 12.082 -5.367 -3.349 1074 H ALA 142 H ALA 142 10.708 -6.888 0.280 1075 HA ALA 142 HA ALA 142 12.801 -8.476 1.366 1076 HB1 ALA 142 1HB ALA 142 11.809 -7.943 3.457 1077 HB2 ALA 142 2HB ALA 142 11.512 -6.517 2.433 1078 HB3 ALA 142 3HB ALA 142 10.206 -7.691 2.726 1079 H CYS 143 H CYS 143 9.190 -8.938 1.402 1080 HA CYS 143 HA CYS 143 9.140 -11.488 2.263 1081 HB2 CYS 143 1HB CYS 143 7.170 -9.987 1.774 1082 HB3 CYS 143 2HB CYS 143 7.317 -10.423 0.084 1083 HG CYS 143 HG CYS 143 7.037 -12.499 2.652 1084 H LEU 144 H LEU 144 9.706 -10.260 -1.089 1085 HA LEU 144 HA LEU 144 9.817 -12.823 -2.266 1086 HB2 LEU 144 1HB LEU 144 10.758 -10.093 -3.131 1087 HB3 LEU 144 2HB LEU 144 10.946 -11.521 -4.129 1088 HG LEU 144 HG LEU 144 8.336 -10.311 -3.179 1089 HD11 LEU 144 1HD1 LEU 144 9.743 -10.386 -5.849 1090 HD12 LEU 144 2HD1 LEU 144 7.997 -10.075 -5.695 1091 HD13 LEU 144 3HD1 LEU 144 9.168 -8.976 -4.927 1092 HD21 LEU 144 1HD2 LEU 144 8.959 -12.969 -4.361 1093 HD22 LEU 144 2HD2 LEU 144 7.664 -12.477 -3.243 1094 HD23 LEU 144 3HD2 LEU 144 7.527 -12.113 -4.980 1095 H GLU 145 H GLU 145 12.269 -10.563 -0.897 1096 HA GLU 145 HA GLU 145 14.532 -11.741 -1.700 1097 HB2 GLU 145 1HB GLU 145 13.722 -9.983 0.425 1098 HB3 GLU 145 2HB GLU 145 14.834 -11.152 1.110 1099 HG2 GLU 145 1HG GLU 145 16.012 -10.472 -1.359 1100 HG3 GLU 145 2HG GLU 145 15.366 -8.952 -0.773 1101 H ARG 146 H ARG 146 12.203 -12.946 0.716 1102 HA ARG 146 HA ARG 146 13.884 -14.854 1.832 1103 HB2 ARG 146 1HB ARG 146 10.898 -14.411 1.696 1104 HB3 ARG 146 2HB ARG 146 11.463 -15.970 2.262 1105 HG2 ARG 146 1HG ARG 146 11.754 -15.032 4.308 1106 HG3 ARG 146 2HG ARG 146 13.097 -14.131 3.635 1107 HD2 ARG 146 1HD ARG 146 11.936 -12.218 4.021 1108 HD3 ARG 146 2HD ARG 146 10.791 -12.712 2.789 1109 HE ARG 146 HE ARG 146 9.886 -14.126 4.944 1110 HH11 ARG 146 2HH2 ARG 146 10.797 -10.745 4.594 1111 HH12 ARG 146 1HH2 ARG 146 9.703 -10.191 5.817 1112 HH21 ARG 146 2HH1 ARG 146 8.443 -13.395 6.559 1113 HH22 ARG 146 1HH1 ARG 146 8.355 -11.709 6.942 1114 H LYS 147 H LYS 147 11.756 -14.797 -1.048 1115 HA LYS 147 HA LYS 147 12.245 -17.625 -1.518 1116 HB2 LYS 147 1HB LYS 147 10.582 -15.712 -3.174 1117 HB3 LYS 147 2HB LYS 147 10.552 -17.464 -3.206 1118 HG2 LYS 147 1HG LYS 147 8.814 -17.262 -1.735 1119 HG3 LYS 147 2HG LYS 147 10.062 -17.003 -0.532 1120 HD2 LYS 147 1HD LYS 147 8.741 -15.111 -0.178 1121 HD3 LYS 147 2HD LYS 147 9.909 -14.468 -1.315 1122 HE2 LYS 147 1HE LYS 147 8.371 -14.327 -3.042 1123 HE3 LYS 147 2HE LYS 147 7.513 -15.773 -2.545 1124 HZ1 LYS 147 1HZ LYS 147 6.166 -13.893 -2.123 1125 HZ2 LYS 147 2HZ LYS 147 6.642 -14.469 -0.671 1126 HZ3 LYS 147 3HZ LYS 147 7.339 -13.126 -1.285 1127 H GLN 148 H GLN 148 12.559 -14.482 -3.324 1128 HA GLN 148 HA GLN 148 14.604 -15.786 -4.914 1129 HB2 GLN 148 1HB GLN 148 14.360 -13.714 -6.370 1130 HB3 GLN 148 2HB GLN 148 12.928 -14.719 -6.262 1131 HG2 GLN 148 1HG GLN 148 11.716 -13.092 -5.207 1132 HG3 GLN 148 2HG GLN 148 13.031 -12.682 -4.124 1133 HE21 GLN 148 1HE2 GLN 148 13.282 -10.578 -4.267 1134 HE22 GLN 148 2HE2 GLN 148 13.504 -9.653 -5.715 1135 H LYS 149 H LYS 149 16.336 -13.893 -5.685 1136 HA LYS 149 HA LYS 149 17.198 -12.523 -3.244 1137 HB2 LYS 149 1HB LYS 149 19.462 -13.272 -3.529 1138 HB3 LYS 149 2HB LYS 149 18.414 -14.674 -3.453 1139 HG2 LYS 149 1HG LYS 149 18.731 -15.221 -5.693 1140 HG3 LYS 149 2HG LYS 149 18.939 -13.552 -6.188 1141 HD2 LYS 149 1HD LYS 149 21.180 -13.893 -6.201 1142 HD3 LYS 149 2HD LYS 149 21.122 -14.048 -4.456 1143 HE2 LYS 149 1HE LYS 149 20.482 -16.531 -4.839 1144 HE3 LYS 149 2HE LYS 149 20.918 -16.284 -6.518 1145 HZ1 LYS 149 1HZ LYS 149 22.789 -17.081 -5.332 1146 HZ2 LYS 149 2HZ LYS 149 23.097 -15.527 -5.727 1147 HZ3 LYS 149 3HZ LYS 149 22.678 -15.912 -4.197 1148 H ARG 150 H ARG 150 18.993 -10.861 -3.819 1149 HA ARG 150 HA ARG 150 19.354 -8.952 -4.787 1150 HB2 ARG 150 1HB ARG 150 19.602 -10.988 -6.980 1151 HB3 ARG 150 2HB ARG 150 19.573 -9.314 -7.498 1152 HG2 ARG 150 1HG ARG 150 21.402 -8.847 -5.759 1153 HG3 ARG 150 2HG ARG 150 21.511 -10.578 -5.508 1154 HD2 ARG 150 1HD ARG 150 22.808 -10.814 -7.358 1155 HD3 ARG 150 2HD ARG 150 21.585 -10.060 -8.361 1156 HE ARG 150 HE ARG 150 23.932 -8.742 -7.166 1157 HH11 ARG 150 2HH2 ARG 150 20.795 -8.298 -8.697 1158 HH12 ARG 150 1HH2 ARG 150 21.126 -6.673 -9.196 1159 HH21 ARG 150 2HH1 ARG 150 24.369 -6.598 -7.824 1160 HH22 ARG 150 1HH1 ARG 150 23.172 -5.699 -8.696 1161 H SER 151 H SER 151 17.408 -7.778 -4.381 1162 HA SER 151 HA SER 151 15.413 -7.954 -6.490 1163 HB2 SER 151 1HB SER 151 13.992 -6.656 -4.763 1164 HB3 SER 151 2HB SER 151 14.349 -8.335 -4.409 1165 HG SER 151 HG SER 151 15.616 -7.771 -2.740 1166 H GLY 152 H GLY 152 16.055 -6.506 -8.091 1167 HA2 GLY 152 1HA GLY 152 16.964 -3.838 -7.237 1168 HA3 GLY 152 2HA GLY 152 17.234 -4.586 -8.799 1169 HA PRO 153 HA PRO 153 13.338 -2.020 -8.768 1170 HB2 PRO 153 1HB PRO 153 14.219 0.439 -9.573 1171 HB3 PRO 153 2HB PRO 153 13.899 0.037 -7.897 1172 HG2 PRO 153 1HG PRO 153 16.501 0.329 -9.268 1173 HG3 PRO 153 2HG PRO 153 16.157 0.352 -7.550 1174 HD2 PRO 153 1HD PRO 153 17.300 -1.814 -9.043 1175 HD3 PRO 153 2HD PRO 153 16.848 -1.831 -7.350 1176 H SER 154 H SER 154 12.239 -0.860 -10.663 1177 HA SER 154 HA SER 154 13.589 -1.753 -13.080 1178 HB2 SER 154 1HB SER 154 10.692 -2.266 -12.293 1179 HB3 SER 154 2HB SER 154 11.260 -2.411 -13.944 1180 HG SER 154 HG SER 154 11.844 -4.396 -13.416 1181 H SER 155 H SER 155 10.706 0.053 -11.777 1182 HA SER 155 HA SER 155 11.554 2.377 -13.174 1183 HB2 SER 155 1HB SER 155 9.161 0.778 -14.116 1184 HB3 SER 155 2HB SER 155 9.156 2.523 -14.282 1185 HG SER 155 HG SER 155 11.565 1.550 -15.155 1186 H GLY 156 H GLY 156 8.549 0.822 -11.813 1187 HA2 GLY 156 1HA GLY 156 8.524 2.850 -9.695 1188 HA3 GLY 156 2HA GLY 156 7.132 2.739 -10.753 Start of MODEL 6 1 H1 GLY 1 H GLY 1 18.032 -3.603 -23.375 2 HA2 GLY 1 1HA GLY 1 17.844 -4.222 -21.026 3 HA3 GLY 1 2HA GLY 1 18.510 -2.611 -21.201 4 H SER 2 H SER 2 17.331 -3.218 -18.795 5 HA SER 2 HA SER 2 14.593 -2.725 -18.723 6 HB2 SER 2 1HB SER 2 16.647 -3.383 -16.890 7 HB3 SER 2 2HB SER 2 15.996 -1.866 -16.301 8 HG SER 2 HG SER 2 13.801 -3.010 -16.699 9 H SER 3 H SER 3 17.423 -0.597 -17.856 10 HA SER 3 HA SER 3 17.700 1.554 -17.915 11 HB2 SER 3 1HB SER 3 16.259 1.040 -20.247 12 HB3 SER 3 2HB SER 3 15.333 2.332 -19.509 13 HG SER 3 HG SER 3 18.170 2.621 -19.580 14 H GLY 4 H GLY 4 17.247 3.071 -16.332 15 HA2 GLY 4 1HA GLY 4 14.469 3.504 -15.531 16 HA3 GLY 4 2HA GLY 4 15.558 2.847 -14.326 17 H SER 5 H SER 5 14.247 5.692 -15.480 18 HA SER 5 HA SER 5 16.466 7.373 -15.510 19 HB2 SER 5 1HB SER 5 14.024 7.765 -16.346 20 HB3 SER 5 2HB SER 5 13.668 8.231 -14.695 21 HG SER 5 HG SER 5 15.084 9.976 -14.836 22 H SER 6 H SER 6 17.587 8.414 -13.859 23 HA SER 6 HA SER 6 16.560 7.902 -11.177 24 HB2 SER 6 1HB SER 6 18.666 6.718 -11.600 25 HB3 SER 6 2HB SER 6 19.431 8.191 -12.163 26 HG SER 6 HG SER 6 18.419 7.750 -9.482 27 H GLY 7 H GLY 7 17.259 9.627 -9.519 28 HA2 GLY 7 1HA GLY 7 17.545 12.281 -10.779 29 HA3 GLY 7 2HA GLY 7 16.271 11.969 -9.618 30 H ALA 8 H ALA 8 16.715 12.513 -7.530 31 HA ALA 8 HA ALA 8 19.371 12.001 -6.495 32 HB1 ALA 8 1HB ALA 8 18.851 14.588 -5.573 33 HB2 ALA 8 2HB ALA 8 20.049 14.129 -6.807 34 HB3 ALA 8 3HB ALA 8 18.421 14.652 -7.299 35 H SER 9 H SER 9 18.913 10.800 -4.722 36 HA SER 9 HA SER 9 16.971 11.889 -2.892 37 HB2 SER 9 1HB SER 9 15.824 10.186 -4.447 38 HB3 SER 9 2HB SER 9 16.831 8.958 -3.705 39 HG SER 9 HG SER 9 14.499 9.821 -2.807 40 H ARG 10 H ARG 10 17.122 10.730 -0.700 41 HA ARG 10 HA ARG 10 19.683 9.399 -0.423 42 HB2 ARG 10 1HB ARG 10 18.693 11.854 1.069 43 HB3 ARG 10 2HB ARG 10 19.806 10.753 1.858 44 HG2 ARG 10 1HG ARG 10 20.319 12.052 -0.860 45 HG3 ARG 10 2HG ARG 10 20.942 12.670 0.657 46 HD2 ARG 10 1HD ARG 10 22.634 11.144 0.689 47 HD3 ARG 10 2HD ARG 10 21.535 9.811 0.395 48 HE ARG 10 HE ARG 10 22.059 9.906 -1.886 49 HH11 ARG 10 2HH2 ARG 10 23.082 12.896 -0.340 50 HH12 ARG 10 1HH2 ARG 10 23.912 13.487 -1.741 51 HH21 ARG 10 2HH1 ARG 10 23.153 10.685 -3.735 52 HH22 ARG 10 1HH1 ARG 10 23.953 12.220 -3.685 53 HA PRO 11 HA PRO 11 17.324 6.811 2.179 54 HB2 PRO 11 1HB PRO 11 19.277 5.584 3.644 55 HB3 PRO 11 2HB PRO 11 18.860 5.104 2.011 56 HG2 PRO 11 1HG PRO 11 21.215 6.623 2.952 57 HG3 PRO 11 2HG PRO 11 20.989 5.778 1.434 58 HD2 PRO 11 1HD PRO 11 20.854 8.612 1.857 59 HD3 PRO 11 2HD PRO 11 20.515 7.757 0.365 60 H HIS 12 H HIS 12 15.933 7.934 3.438 61 HA HIS 12 HA HIS 12 16.555 8.045 6.144 62 HB2 HIS 12 1HB HIS 12 18.050 9.902 5.313 63 HB3 HIS 12 2HB HIS 12 16.608 10.777 4.838 64 HD1 HIS 12 1HD HIS 12 18.869 11.273 7.265 65 HD2 HIS 12 2HD HIS 12 14.797 10.312 7.569 66 HE1 HIS 12 1HE HIS 12 18.122 12.051 9.577 67 H GLN 13 H GLN 13 14.737 9.529 3.405 68 HA GLN 13 HA GLN 13 12.424 9.759 5.098 69 HB2 GLN 13 1HB GLN 13 12.917 10.489 2.180 70 HB3 GLN 13 2HB GLN 13 11.384 10.737 2.992 71 HG2 GLN 13 1HG GLN 13 13.535 11.806 4.640 72 HG3 GLN 13 2HG GLN 13 13.670 12.453 3.017 73 HE21 GLN 13 1HE2 GLN 13 12.547 13.192 5.886 74 HE22 GLN 13 2HE2 GLN 13 11.112 14.094 5.527 75 H TRP 14 H TRP 14 13.692 7.793 2.386 76 HA TRP 14 HA TRP 14 11.204 6.253 2.374 77 HB2 TRP 14 1HB TRP 14 13.541 6.268 0.456 78 HB3 TRP 14 2HB TRP 14 12.125 5.246 0.315 79 HD1 TRP 14 HD TRP 14 12.007 9.043 1.171 80 HE1 TRP 14 1HE TRP 14 10.634 10.368 -0.652 81 HE3 TRP 14 3HE TRP 14 11.306 5.080 -1.937 82 HZ2 TRP 14 2HZ TRP 14 9.436 9.626 -3.134 83 HZ3 TRP 14 3HZ TRP 14 10.024 5.466 -4.039 84 HH2 TRP 14 HH TRP 14 9.103 7.644 -4.657 85 H GLN 15 H GLN 15 14.775 6.088 2.862 86 HA GLN 15 HA GLN 15 14.964 3.376 3.215 87 HB2 GLN 15 1HB GLN 15 17.006 4.523 3.015 88 HB3 GLN 15 2HB GLN 15 16.557 5.752 4.182 89 HG2 GLN 15 1HG GLN 15 17.241 4.492 5.980 90 HG3 GLN 15 2HG GLN 15 16.627 2.997 5.301 91 HE21 GLN 15 1HE2 GLN 15 17.819 2.426 3.130 92 HE22 GLN 15 2HE2 GLN 15 19.548 2.403 3.224 93 H THR 16 H THR 16 13.997 5.976 5.492 94 HA THR 16 HA THR 16 14.089 4.471 7.845 95 HB THR 16 HB THR 16 13.915 6.928 7.799 96 HG1 THR 16 1HG THR 16 11.822 6.946 9.152 97 HG21 THR 16 1HG2 THR 16 12.282 6.864 5.712 98 HG22 THR 16 2HG2 THR 16 11.012 6.656 6.942 99 HG23 THR 16 3HG2 THR 16 12.035 8.112 6.956 100 H ASP 17 H ASP 17 11.927 4.311 5.102 101 HA ASP 17 HA ASP 17 9.933 2.971 6.689 102 HB2 ASP 17 1HB ASP 17 10.079 3.536 3.690 103 HB3 ASP 17 2HB ASP 17 8.688 2.854 4.510 104 H GLU 18 H GLU 18 12.816 2.309 4.925 105 HA GLU 18 HA GLU 18 12.036 -0.185 3.841 106 HB2 GLU 18 1HB GLU 18 13.928 1.356 3.028 107 HB3 GLU 18 2HB GLU 18 14.873 0.777 4.385 108 HG2 GLU 18 1HG GLU 18 15.114 -1.363 3.500 109 HG3 GLU 18 2HG GLU 18 13.566 -1.320 2.679 110 H GLU 19 H GLU 19 13.137 0.987 6.961 111 HA GLU 19 HA GLU 19 13.947 -1.655 7.773 112 HB2 GLU 19 1HB GLU 19 14.305 -0.374 10.023 113 HB3 GLU 19 2HB GLU 19 15.385 -0.038 8.684 114 HG2 GLU 19 1HG GLU 19 14.259 2.018 8.143 115 HG3 GLU 19 2HG GLU 19 12.861 1.605 9.116 116 H GLY 20 H GLY 20 11.341 0.761 8.325 117 HA2 GLY 20 1HA GLY 20 10.024 -0.503 10.436 118 HA3 GLY 20 2HA GLY 20 9.306 0.580 9.260 119 H VAL 21 H VAL 21 10.494 -1.551 7.161 120 HA VAL 21 HA VAL 21 8.022 -3.070 7.116 121 HB VAL 21 HB VAL 21 8.696 -1.943 5.103 122 HG11 VAL 21 1HG1 VAL 21 10.950 -1.602 5.012 123 HG12 VAL 21 2HG1 VAL 21 11.335 -3.204 5.687 124 HG13 VAL 21 3HG1 VAL 21 10.864 -3.048 3.977 125 HG21 VAL 21 1HG2 VAL 21 9.287 -4.866 4.606 126 HG22 VAL 21 2HG2 VAL 21 7.663 -4.296 5.061 127 HG23 VAL 21 3HG2 VAL 21 8.426 -3.707 3.565 128 H ARG 22 H ARG 22 11.455 -3.395 7.874 129 HA ARG 22 HA ARG 22 11.118 -6.273 7.941 130 HB2 ARG 22 1HB ARG 22 13.711 -6.098 8.438 131 HB3 ARG 22 2HB ARG 22 13.135 -5.829 6.805 132 HG2 ARG 22 1HG ARG 22 13.194 -3.394 7.117 133 HG3 ARG 22 2HG ARG 22 13.564 -3.575 8.820 134 HD2 ARG 22 1HD ARG 22 15.357 -4.485 6.515 135 HD3 ARG 22 2HD ARG 22 15.610 -3.053 7.493 136 HE ARG 22 HE ARG 22 16.307 -4.411 9.311 137 HH11 ARG 22 2HH2 ARG 22 15.100 -6.386 6.661 138 HH12 ARG 22 1HH2 ARG 22 15.723 -7.866 7.311 139 HH21 ARG 22 2HH1 ARG 22 17.129 -6.362 10.170 140 HH22 ARG 22 1HH1 ARG 22 16.885 -7.852 9.320 141 H THR 23 H THR 23 10.878 -3.522 9.915 142 HA THR 23 HA THR 23 11.665 -5.035 12.316 143 HB THR 23 HB THR 23 12.050 -2.833 13.330 144 HG1 THR 23 1HG THR 23 11.424 -0.965 12.043 145 HG21 THR 23 1HG2 THR 23 14.060 -2.803 12.234 146 HG22 THR 23 2HG2 THR 23 13.345 -3.562 10.791 147 HG23 THR 23 3HG2 THR 23 13.271 -1.796 10.997 148 H GLY 24 H GLY 24 9.270 -2.509 11.276 149 HA2 GLY 24 1HA GLY 24 6.920 -3.440 11.446 150 HA3 GLY 24 2HA GLY 24 7.345 -3.800 13.107 151 H LYS 25 H LYS 25 7.560 -1.016 10.769 152 HA LYS 25 HA LYS 25 5.948 0.651 12.313 153 HB2 LYS 25 1HB LYS 25 7.744 2.254 13.094 154 HB3 LYS 25 2HB LYS 25 7.588 0.764 14.002 155 HG2 LYS 25 1HG LYS 25 9.892 0.779 13.695 156 HG3 LYS 25 2HG LYS 25 9.421 -0.124 12.269 157 HD2 LYS 25 1HD LYS 25 9.724 1.733 10.824 158 HD3 LYS 25 2HD LYS 25 9.583 2.898 12.125 159 HE2 LYS 25 1HE LYS 25 11.846 0.952 12.375 160 HE3 LYS 25 2HE LYS 25 11.977 2.099 11.057 161 HZ1 LYS 25 1HZ LYS 25 11.706 3.877 12.602 162 HZ2 LYS 25 2HZ LYS 25 11.434 2.853 13.845 163 HZ3 LYS 25 3HZ LYS 25 12.907 2.910 13.141 164 H CYS 26 H CYS 26 6.226 -0.224 9.601 165 HA CYS 26 HA CYS 26 7.256 2.180 8.299 166 HB2 CYS 26 1HB CYS 26 8.241 0.177 7.408 167 HB3 CYS 26 2HB CYS 26 6.680 -0.597 7.231 168 HG CYS 26 HG CYS 26 7.139 2.363 5.914 169 H SER 27 H SER 27 5.153 3.100 9.431 170 HA SER 27 HA SER 27 2.969 2.688 7.542 171 HB2 SER 27 1HB SER 27 1.358 2.990 9.344 172 HB3 SER 27 2HB SER 27 2.464 1.705 9.788 173 HG SER 27 HG SER 27 3.383 4.197 10.622 174 H PHE 28 H PHE 28 1.739 4.614 6.989 175 HA PHE 28 HA PHE 28 2.801 7.115 8.046 176 HB2 PHE 28 1HB PHE 28 2.443 7.646 5.343 177 HB3 PHE 28 2HB PHE 28 3.997 7.243 6.046 178 HD1 PHE 28 2HD PHE 28 4.637 4.741 6.109 179 HD2 PHE 28 1HD PHE 28 1.537 6.301 3.667 180 HE1 PHE 28 2HE PHE 28 4.781 2.717 4.631 181 HE2 PHE 28 1HE PHE 28 1.681 4.278 2.190 182 HZ PHE 28 HZ PHE 28 3.301 2.509 2.690 183 HA PRO 29 HA PRO 29 -1.322 8.395 7.701 184 HB2 PRO 29 1HB PRO 29 -1.138 11.070 7.174 185 HB3 PRO 29 2HB PRO 29 -0.911 10.390 8.773 186 HG2 PRO 29 1HG PRO 29 1.123 11.418 6.890 187 HG3 PRO 29 2HG PRO 29 1.265 11.138 8.614 188 HD2 PRO 29 1HD PRO 29 2.313 9.487 6.515 189 HD3 PRO 29 2HD PRO 29 2.354 9.149 8.234 190 H VAL 30 H VAL 30 -2.732 7.653 6.257 191 HA VAL 30 HA VAL 30 -2.653 8.994 3.676 192 HB VAL 30 HB VAL 30 -2.468 7.069 2.400 193 HG11 VAL 30 1HG1 VAL 30 -0.611 6.757 4.779 194 HG12 VAL 30 2HG1 VAL 30 -0.433 5.865 3.249 195 HG13 VAL 30 3HG1 VAL 30 -0.300 7.640 3.265 196 HG21 VAL 30 1HG2 VAL 30 -4.104 5.730 3.726 197 HG22 VAL 30 2HG2 VAL 30 -2.689 4.794 3.187 198 HG23 VAL 30 3HG2 VAL 30 -2.803 5.344 4.876 199 H LYS 31 H LYS 31 -4.678 8.057 2.341 200 HA LYS 31 HA LYS 31 -6.876 7.826 4.278 201 HB2 LYS 31 1HB LYS 31 -6.622 9.547 1.813 202 HB3 LYS 31 2HB LYS 31 -8.192 9.071 2.427 203 HG2 LYS 31 1HG LYS 31 -8.084 10.638 4.062 204 HG3 LYS 31 2HG LYS 31 -6.580 9.967 4.659 205 HD2 LYS 31 1HD LYS 31 -5.895 12.124 4.059 206 HD3 LYS 31 2HD LYS 31 -5.488 11.230 2.608 207 HE2 LYS 31 1HE LYS 31 -7.337 12.079 1.396 208 HE3 LYS 31 2HE LYS 31 -8.246 12.458 2.846 209 HZ1 LYS 31 1HZ LYS 31 -7.316 14.443 2.920 210 HZ2 LYS 31 2HZ LYS 31 -5.798 13.863 2.761 211 HZ3 LYS 31 3HZ LYS 31 -6.697 14.172 1.433 212 H TYR 32 H TYR 32 -8.490 6.315 3.829 213 HA TYR 32 HA TYR 32 -7.737 4.370 1.802 214 HB2 TYR 32 1HB TYR 32 -8.326 3.841 4.246 215 HB3 TYR 32 2HB TYR 32 -9.924 4.506 3.972 216 HD1 TYR 32 1HD TYR 32 -8.208 2.475 1.410 217 HD2 TYR 32 2HD TYR 32 -11.077 2.463 4.584 218 HE1 TYR 32 1HE TYR 32 -9.034 0.189 0.665 219 HE2 TYR 32 2HE TYR 32 -11.893 0.177 3.828 220 HH TYR 32 HH TYR 32 -11.260 -1.643 2.606 221 H LEU 33 H LEU 33 -8.476 4.810 -0.232 222 HA LEU 33 HA LEU 33 -10.898 6.274 -0.609 223 HB2 LEU 33 1HB LEU 33 -9.013 4.879 -2.510 224 HB3 LEU 33 2HB LEU 33 -10.422 5.786 -3.022 225 HG LEU 33 HG LEU 33 -8.143 6.971 -1.415 226 HD11 LEU 33 1HD1 LEU 33 -7.250 6.274 -3.534 227 HD12 LEU 33 2HD1 LEU 33 -8.624 6.995 -4.406 228 HD13 LEU 33 3HD1 LEU 33 -7.461 8.041 -3.556 229 HD21 LEU 33 1HD2 LEU 33 -9.368 9.028 -2.735 230 HD22 LEU 33 2HD2 LEU 33 -10.748 7.975 -2.339 231 HD23 LEU 33 3HD2 LEU 33 -9.676 8.562 -1.045 232 H GLY 34 H GLY 34 -9.818 2.847 -0.966 233 HA2 GLY 34 1HA GLY 34 -11.806 1.423 -0.117 234 HA3 GLY 34 2HA GLY 34 -12.597 2.076 -1.538 235 H HIS 35 H HIS 35 -12.767 -0.114 -2.406 236 HA HIS 35 HA HIS 35 -10.255 -0.920 -3.656 237 HB2 HIS 35 1HB HIS 35 -11.178 -3.337 -3.320 238 HB3 HIS 35 2HB HIS 35 -10.278 -2.545 -2.041 239 HD1 HIS 35 1HD HIS 35 -11.333 -3.477 0.045 240 HD2 HIS 35 2HD HIS 35 -14.180 -2.123 -2.722 241 HE1 HIS 35 1HE HIS 35 -13.597 -3.644 1.209 242 H VAL 36 H VAL 36 -10.453 -1.587 -5.804 243 HA VAL 36 HA VAL 36 -13.195 -1.701 -6.840 244 HB VAL 36 HB VAL 36 -12.558 -0.385 -8.739 245 HG11 VAL 36 1HG1 VAL 36 -11.475 1.611 -7.043 246 HG12 VAL 36 2HG1 VAL 36 -13.173 1.382 -7.527 247 HG13 VAL 36 3HG1 VAL 36 -12.561 0.618 -6.041 248 HG21 VAL 36 1HG2 VAL 36 -10.106 -1.224 -8.626 249 HG22 VAL 36 2HG2 VAL 36 -10.419 0.426 -9.216 250 HG23 VAL 36 3HG2 VAL 36 -9.841 0.171 -7.552 251 H GLU 37 H GLU 37 -13.376 -2.941 -8.880 252 HA GLU 37 HA GLU 37 -11.493 -5.121 -8.789 253 HB2 GLU 37 1HB GLU 37 -14.206 -5.102 -9.000 254 HB3 GLU 37 2HB GLU 37 -13.796 -5.149 -10.703 255 HG2 GLU 37 1HG GLU 37 -12.276 -7.128 -10.224 256 HG3 GLU 37 2HG GLU 37 -12.845 -7.115 -8.567 257 H VAL 38 H VAL 38 -9.680 -4.947 -10.036 258 HA VAL 38 HA VAL 38 -9.424 -3.121 -12.125 259 HB VAL 38 HB VAL 38 -7.346 -4.348 -12.607 260 HG11 VAL 38 1HG1 VAL 38 -6.716 -2.920 -10.988 261 HG12 VAL 38 2HG1 VAL 38 -8.129 -3.298 -9.972 262 HG13 VAL 38 3HG1 VAL 38 -6.696 -4.353 -9.933 263 HG21 VAL 38 1HG2 VAL 38 -7.851 -6.624 -12.333 264 HG22 VAL 38 2HG2 VAL 38 -6.792 -6.249 -10.952 265 HG23 VAL 38 3HG2 VAL 38 -8.552 -6.372 -10.717 266 H ASP 39 H ASP 39 -8.263 -4.570 -14.267 267 HA ASP 39 HA ASP 39 -10.436 -6.271 -15.154 268 HB2 ASP 39 1HB ASP 39 -10.044 -3.599 -16.038 269 HB3 ASP 39 2HB ASP 39 -9.404 -4.598 -17.328 270 H GLU 40 H GLU 40 -7.182 -4.788 -15.768 271 HA GLU 40 HA GLU 40 -6.454 -7.095 -17.346 272 HB2 GLU 40 1HB GLU 40 -4.749 -4.651 -16.723 273 HB3 GLU 40 2HB GLU 40 -4.504 -5.814 -18.010 274 HG2 GLU 40 1HG GLU 40 -7.159 -4.402 -17.938 275 HG3 GLU 40 2HG GLU 40 -5.766 -3.448 -18.406 276 H SER 41 H SER 41 -5.712 -5.437 -14.253 277 HA SER 41 HA SER 41 -4.995 -6.387 -12.384 278 HB2 SER 41 1HB SER 41 -5.503 -8.681 -13.585 279 HB3 SER 41 2HB SER 41 -3.769 -8.751 -13.828 280 HG SER 41 HG SER 41 -5.143 -8.511 -11.288 281 H ARG 42 H ARG 42 -3.387 -5.421 -15.147 282 HA ARG 42 HA ARG 42 -1.054 -4.831 -13.621 283 HB2 ARG 42 1HB ARG 42 0.499 -5.746 -15.429 284 HB3 ARG 42 2HB ARG 42 -0.317 -6.975 -14.484 285 HG2 ARG 42 1HG ARG 42 -1.989 -6.232 -16.750 286 HG3 ARG 42 2HG ARG 42 -0.380 -6.628 -17.320 287 HD2 ARG 42 1HD ARG 42 -1.599 -8.474 -15.276 288 HD3 ARG 42 2HD ARG 42 -2.271 -8.521 -16.894 289 HE ARG 42 HE ARG 42 0.502 -8.601 -17.276 290 HH11 ARG 42 2HH2 ARG 42 -1.865 -10.559 -15.559 291 HH12 ARG 42 1HH2 ARG 42 -0.964 -12.028 -15.733 292 HH21 ARG 42 2HH1 ARG 42 1.690 -10.540 -17.506 293 HH22 ARG 42 1HH1 ARG 42 1.071 -12.017 -16.848 294 H GLY 43 H GLY 43 -0.212 -2.832 -14.281 295 HA2 GLY 43 1HA GLY 43 0.206 -1.653 -16.565 296 HA3 GLY 43 2HA GLY 43 -1.544 -1.575 -16.574 297 H MET 44 H MET 44 1.010 0.334 -16.032 298 HA MET 44 HA MET 44 0.636 1.346 -13.483 299 HB2 MET 44 1HB MET 44 1.772 2.425 -16.099 300 HB3 MET 44 2HB MET 44 1.692 3.472 -14.696 301 HG2 MET 44 1HG MET 44 3.307 2.267 -13.521 302 HG3 MET 44 2HG MET 44 2.869 0.740 -14.261 303 HE1 MET 44 1HE MET 44 4.682 0.653 -17.592 304 HE2 MET 44 2HE MET 44 4.009 -0.290 -16.240 305 HE3 MET 44 3HE MET 44 2.960 0.806 -17.171 306 H HIS 45 H HIS 45 -0.996 2.011 -16.594 307 HA HIS 45 HA HIS 45 -2.304 4.343 -15.628 308 HB2 HIS 45 1HB HIS 45 -3.520 4.264 -17.731 309 HB3 HIS 45 2HB HIS 45 -1.801 4.045 -17.992 310 HD1 HIS 45 1HD HIS 45 -1.001 1.788 -18.968 311 HD2 HIS 45 2HD HIS 45 -5.126 1.945 -18.226 312 HE1 HIS 45 1HE HIS 45 -2.010 -0.260 -20.107 313 H ILE 46 H ILE 46 -2.652 0.997 -15.038 314 HA ILE 46 HA ILE 46 -5.501 0.963 -14.832 315 HB ILE 46 HB ILE 46 -3.479 -0.968 -13.696 316 HG12 ILE 46 1HG1 ILE 46 -3.192 -0.471 -16.165 317 HG13 ILE 46 2HG1 ILE 46 -3.457 -2.148 -15.731 318 HG21 ILE 46 1HG2 ILE 46 -6.402 -0.874 -13.806 319 HG22 ILE 46 2HG2 ILE 46 -5.718 -2.373 -14.479 320 HG23 ILE 46 3HG2 ILE 46 -5.317 -1.880 -12.816 321 HD11 ILE 46 1HD1 ILE 46 -5.516 -2.235 -16.752 322 HD12 ILE 46 2HD1 ILE 46 -5.936 -0.573 -16.274 323 HD13 ILE 46 3HD1 ILE 46 -4.873 -0.854 -17.674 324 H CYS 47 H CYS 47 -2.747 0.991 -12.463 325 HA CYS 47 HA CYS 47 -4.076 0.995 -10.152 326 HB2 CYS 47 1HB CYS 47 -1.695 2.711 -10.916 327 HB3 CYS 47 2HB CYS 47 -2.266 2.530 -9.269 328 HG CYS 47 HG CYS 47 -2.266 -0.295 -10.664 329 H GLU 48 H GLU 48 -3.297 3.996 -12.073 330 HA GLU 48 HA GLU 48 -4.726 5.727 -10.523 331 HB2 GLU 48 1HB GLU 48 -4.000 5.734 -13.470 332 HB3 GLU 48 2HB GLU 48 -4.892 7.066 -12.764 333 HG2 GLU 48 1HG GLU 48 -3.001 7.925 -11.853 334 HG3 GLU 48 2HG GLU 48 -2.666 6.420 -11.020 335 H ASP 49 H ASP 49 -5.799 3.900 -13.469 336 HA ASP 49 HA ASP 49 -8.246 4.887 -13.805 337 HB2 ASP 49 1HB ASP 49 -6.862 2.469 -14.457 338 HB3 ASP 49 2HB ASP 49 -8.431 1.978 -13.850 339 H ALA 50 H ALA 50 -7.046 2.803 -11.171 340 HA ALA 50 HA ALA 50 -9.529 1.927 -10.196 341 HB1 ALA 50 1HB ALA 50 -8.275 1.055 -8.427 342 HB2 ALA 50 2HB ALA 50 -7.062 1.159 -9.725 343 HB3 ALA 50 3HB ALA 50 -7.112 2.403 -8.452 344 H VAL 51 H VAL 51 -7.308 4.526 -8.940 345 HA VAL 51 HA VAL 51 -8.898 5.565 -7.030 346 HB VAL 51 HB VAL 51 -7.240 7.150 -9.000 347 HG11 VAL 51 1HG1 VAL 51 -8.822 8.065 -6.921 348 HG12 VAL 51 2HG1 VAL 51 -7.209 7.945 -6.178 349 HG13 VAL 51 3HG1 VAL 51 -7.443 8.927 -7.644 350 HG21 VAL 51 1HG2 VAL 51 -5.678 6.696 -6.757 351 HG22 VAL 51 2HG2 VAL 51 -6.488 5.132 -7.014 352 HG23 VAL 51 3HG2 VAL 51 -5.531 5.865 -8.324 353 H LYS 52 H LYS 52 -8.828 6.829 -10.443 354 HA LYS 52 HA LYS 52 -10.860 8.561 -10.339 355 HB2 LYS 52 1HB LYS 52 -9.980 6.651 -12.492 356 HB3 LYS 52 2HB LYS 52 -11.347 7.713 -12.761 357 HG2 LYS 52 1HG LYS 52 -9.834 9.308 -13.343 358 HG3 LYS 52 2HG LYS 52 -9.459 9.438 -11.636 359 HD2 LYS 52 1HD LYS 52 -7.380 8.608 -11.987 360 HD3 LYS 52 2HD LYS 52 -8.047 7.144 -12.682 361 HE2 LYS 52 1HE LYS 52 -8.241 9.430 -14.538 362 HE3 LYS 52 2HE LYS 52 -6.586 9.119 -14.054 363 HZ1 LYS 52 1HZ LYS 52 -6.877 7.698 -15.793 364 HZ2 LYS 52 2HZ LYS 52 -7.227 6.697 -14.551 365 HZ3 LYS 52 3HZ LYS 52 -8.433 7.349 -15.439 366 H ARG 53 H ARG 53 -11.220 4.983 -10.813 367 HA ARG 53 HA ARG 53 -13.853 4.825 -11.138 368 HB2 ARG 53 1HB ARG 53 -11.824 3.033 -10.560 369 HB3 ARG 53 2HB ARG 53 -12.804 2.892 -9.113 370 HG2 ARG 53 1HG ARG 53 -14.696 2.116 -10.298 371 HG3 ARG 53 2HG ARG 53 -14.174 2.831 -11.810 372 HD2 ARG 53 1HD ARG 53 -12.215 0.866 -10.836 373 HD3 ARG 53 2HD ARG 53 -13.804 0.147 -11.000 374 HE ARG 53 HE ARG 53 -12.077 0.863 -13.158 375 HH11 ARG 53 2HH2 ARG 53 -15.470 1.092 -12.256 376 HH12 ARG 53 1HH2 ARG 53 -16.038 1.083 -13.893 377 HH21 ARG 53 2HH1 ARG 53 -12.825 0.851 -15.317 378 HH22 ARG 53 1HH1 ARG 53 -14.523 0.945 -15.646 379 H LEU 54 H LEU 54 -12.138 4.912 -7.927 380 HA LEU 54 HA LEU 54 -14.534 4.971 -6.436 381 HB2 LEU 54 1HB LEU 54 -11.769 5.853 -5.606 382 HB3 LEU 54 2HB LEU 54 -13.099 5.421 -4.550 383 HG LEU 54 HG LEU 54 -11.839 3.474 -6.495 384 HD11 LEU 54 1HD1 LEU 54 -11.231 3.535 -3.546 385 HD12 LEU 54 2HD1 LEU 54 -10.370 2.699 -4.861 386 HD13 LEU 54 3HD1 LEU 54 -10.266 4.470 -4.714 387 HD21 LEU 54 1HD2 LEU 54 -12.847 1.940 -4.552 388 HD22 LEU 54 2HD2 LEU 54 -13.967 3.317 -4.422 389 HD23 LEU 54 3HD2 LEU 54 -13.795 2.453 -5.968 390 H LYS 55 H LYS 55 -12.533 7.409 -8.054 391 HA LYS 55 HA LYS 55 -13.667 9.604 -6.633 392 HB2 LYS 55 1HB LYS 55 -11.618 9.148 -8.652 393 HB3 LYS 55 2HB LYS 55 -12.600 10.544 -9.043 394 HG2 LYS 55 1HG LYS 55 -11.365 11.713 -7.539 395 HG3 LYS 55 2HG LYS 55 -12.184 10.810 -6.279 396 HD2 LYS 55 1HD LYS 55 -10.426 9.177 -6.145 397 HD3 LYS 55 2HD LYS 55 -9.734 9.672 -7.677 398 HE2 LYS 55 1HE LYS 55 -9.027 11.831 -6.722 399 HE3 LYS 55 2HE LYS 55 -9.851 11.479 -5.216 400 HZ1 LYS 55 1HZ LYS 55 -8.337 9.387 -5.315 401 HZ2 LYS 55 2HZ LYS 55 -7.402 10.337 -6.259 402 HZ3 LYS 55 3HZ LYS 55 -7.764 10.802 -4.737 403 H ALA 56 H ALA 56 -14.840 7.428 -8.991 404 HA ALA 56 HA ALA 56 -16.784 9.430 -9.915 405 HB1 ALA 56 1HB ALA 56 -15.211 7.377 -11.264 406 HB2 ALA 56 2HB ALA 56 -16.953 7.148 -11.544 407 HB3 ALA 56 3HB ALA 56 -16.182 8.698 -11.956 408 H THR 57 H THR 57 -16.231 6.772 -7.833 409 HA THR 57 HA THR 57 -18.769 5.503 -8.091 410 HB THR 57 HB THR 57 -16.393 4.748 -7.077 411 HG1 THR 57 1HG THR 57 -19.107 4.232 -6.089 412 HG21 THR 57 1HG2 THR 57 -16.725 6.511 -5.155 413 HG22 THR 57 2HG2 THR 57 -17.977 5.396 -4.557 414 HG23 THR 57 3HG2 THR 57 -16.288 4.849 -4.690 415 H GLY 58 H GLY 58 -17.530 8.317 -6.332 416 HA2 GLY 58 1HA GLY 58 -18.834 9.995 -5.464 417 HA3 GLY 58 2HA GLY 58 -20.256 8.978 -5.577 418 H LYS 59 H LYS 59 -17.025 8.522 -3.968 419 HA LYS 59 HA LYS 59 -18.498 8.179 -1.451 420 HB2 LYS 59 1HB LYS 59 -16.965 6.233 -2.878 421 HB3 LYS 59 2HB LYS 59 -16.085 6.644 -1.420 422 HG2 LYS 59 1HG LYS 59 -19.016 6.317 -1.018 423 HG3 LYS 59 2HG LYS 59 -18.199 4.858 -1.541 424 HD2 LYS 59 1HD LYS 59 -16.492 5.968 0.432 425 HD3 LYS 59 2HD LYS 59 -18.109 6.194 1.067 426 HE2 LYS 59 1HE LYS 59 -18.362 3.629 0.191 427 HE3 LYS 59 2HE LYS 59 -16.635 3.642 0.484 428 HZ1 LYS 59 1HZ LYS 59 -17.802 3.014 2.448 429 HZ2 LYS 59 2HZ LYS 59 -17.106 4.467 2.712 430 HZ3 LYS 59 3HZ LYS 59 -18.712 4.370 2.431 431 H LYS 60 H LYS 60 -16.061 7.840 0.102 432 HA LYS 60 HA LYS 60 -14.596 10.299 -0.408 433 HB2 LYS 60 1HB LYS 60 -15.010 11.241 1.747 434 HB3 LYS 60 2HB LYS 60 -16.561 10.916 1.000 435 HG2 LYS 60 1HG LYS 60 -16.720 8.765 2.284 436 HG3 LYS 60 2HG LYS 60 -15.178 9.110 3.042 437 HD2 LYS 60 1HD LYS 60 -16.042 10.907 4.310 438 HD3 LYS 60 2HD LYS 60 -17.375 11.184 3.208 439 HE2 LYS 60 1HE LYS 60 -18.691 9.515 4.146 440 HE3 LYS 60 2HE LYS 60 -17.319 8.497 4.538 441 HZ1 LYS 60 1HZ LYS 60 -18.408 9.538 6.463 442 HZ2 LYS 60 2HZ LYS 60 -16.814 9.877 6.371 443 HZ3 LYS 60 3HZ LYS 60 -17.914 11.005 5.944 444 H ALA 61 H ALA 61 -12.836 10.453 1.521 445 HA ALA 61 HA ALA 61 -11.708 7.745 1.671 446 HB1 ALA 61 1HB ALA 61 -10.666 10.051 0.546 447 HB2 ALA 61 2HB ALA 61 -9.920 10.036 2.162 448 HB3 ALA 61 3HB ALA 61 -9.717 8.641 1.075 449 H VAL 62 H VAL 62 -10.764 7.041 3.663 450 HA VAL 62 HA VAL 62 -11.850 8.497 5.959 451 HB VAL 62 HB VAL 62 -11.104 5.631 5.434 452 HG11 VAL 62 1HG1 VAL 62 -11.778 5.304 7.911 453 HG12 VAL 62 2HG1 VAL 62 -10.134 5.883 7.550 454 HG13 VAL 62 3HG1 VAL 62 -11.382 7.030 8.094 455 HG21 VAL 62 1HG2 VAL 62 -13.422 6.702 4.948 456 HG22 VAL 62 2HG2 VAL 62 -13.355 5.149 5.815 457 HG23 VAL 62 3HG2 VAL 62 -13.632 6.659 6.715 458 H LYS 63 H LYS 63 -10.492 8.746 7.888 459 HA LYS 63 HA LYS 63 -7.731 9.218 7.092 460 HB2 LYS 63 1HB LYS 63 -9.495 10.236 9.316 461 HB3 LYS 63 2HB LYS 63 -7.753 10.403 9.402 462 HG2 LYS 63 1HG LYS 63 -8.501 11.201 6.757 463 HG3 LYS 63 2HG LYS 63 -9.655 11.953 7.840 464 HD2 LYS 63 1HD LYS 63 -8.003 13.557 7.992 465 HD3 LYS 63 2HD LYS 63 -7.409 12.490 9.249 466 HE2 LYS 63 1HE LYS 63 -5.903 11.368 7.611 467 HE3 LYS 63 2HE LYS 63 -6.523 12.384 6.325 468 HZ1 LYS 63 1HZ LYS 63 -4.684 13.037 8.419 469 HZ2 LYS 63 2HZ LYS 63 -4.830 13.676 6.923 470 HZ3 LYS 63 3HZ LYS 63 -5.803 14.190 8.129 471 H ALA 64 H ALA 64 -6.514 7.386 7.238 472 HA ALA 64 HA ALA 64 -6.359 6.176 9.874 473 HB1 ALA 64 1HB ALA 64 -6.273 3.986 8.116 474 HB2 ALA 64 2HB ALA 64 -7.578 4.387 9.258 475 HB3 ALA 64 3HB ALA 64 -7.667 4.950 7.572 476 H VAL 65 H VAL 65 -4.412 4.586 9.898 477 HA VAL 65 HA VAL 65 -2.301 5.850 8.310 478 HB VAL 65 HB VAL 65 -2.299 4.336 10.923 479 HG11 VAL 65 1HG1 VAL 65 0.234 5.382 10.651 480 HG12 VAL 65 2HG1 VAL 65 -0.218 3.683 10.374 481 HG13 VAL 65 3HG1 VAL 65 -0.123 4.814 9.002 482 HG21 VAL 65 1HG2 VAL 65 -3.015 6.827 10.727 483 HG22 VAL 65 2HG2 VAL 65 -1.829 6.366 11.971 484 HG23 VAL 65 3HG2 VAL 65 -1.282 7.136 10.463 485 H LEU 66 H LEU 66 -1.327 4.731 6.694 486 HA LEU 66 HA LEU 66 -2.151 1.977 6.329 487 HB2 LEU 66 1HB LEU 66 -2.379 3.250 4.398 488 HB3 LEU 66 2HB LEU 66 -0.848 4.072 4.626 489 HG LEU 66 HG LEU 66 0.392 2.108 3.978 490 HD11 LEU 66 1HD1 LEU 66 -1.356 0.531 5.045 491 HD12 LEU 66 2HD1 LEU 66 -2.143 0.576 3.449 492 HD13 LEU 66 3HD1 LEU 66 -0.471 -0.017 3.601 493 HD21 LEU 66 1HD2 LEU 66 -1.895 2.648 2.065 494 HD22 LEU 66 2HD2 LEU 66 -0.363 3.548 2.177 495 HD23 LEU 66 3HD2 LEU 66 -0.361 1.848 1.647 496 H TRP 67 H TRP 67 -1.006 0.351 7.216 497 HA TRP 67 HA TRP 67 1.781 0.879 7.901 498 HB2 TRP 67 1HB TRP 67 -0.112 -1.334 8.712 499 HB3 TRP 67 2HB TRP 67 1.567 -1.226 9.205 500 HD1 TRP 67 HD TRP 67 -1.655 0.967 9.535 501 HE1 TRP 67 1HE TRP 67 -1.650 2.273 11.828 502 HE3 TRP 67 3HE TRP 67 2.938 -0.620 11.030 503 HZ2 TRP 67 2HZ TRP 67 0.232 2.491 13.962 504 HZ3 TRP 67 3HZ TRP 67 3.786 0.186 13.231 505 HH2 TRP 67 HH TRP 67 2.513 1.689 14.679 506 H VAL 68 H VAL 68 3.485 -0.441 7.080 507 HA VAL 68 HA VAL 68 2.685 -2.280 4.938 508 HB VAL 68 HB VAL 68 5.035 -0.388 4.817 509 HG11 VAL 68 1HG1 VAL 68 3.803 -2.390 2.938 510 HG12 VAL 68 2HG1 VAL 68 4.678 -0.979 2.294 511 HG13 VAL 68 3HG1 VAL 68 5.513 -2.133 3.362 512 HG21 VAL 68 1HG2 VAL 68 3.328 0.526 2.900 513 HG22 VAL 68 2HG2 VAL 68 2.181 0.060 4.179 514 HG23 VAL 68 3HG2 VAL 68 3.480 1.226 4.529 515 H SER 69 H SER 69 3.531 -4.288 5.183 516 HA SER 69 HA SER 69 6.046 -4.500 6.588 517 HB2 SER 69 1HB SER 69 3.583 -6.119 7.376 518 HB3 SER 69 2HB SER 69 5.188 -6.310 8.053 519 HG SER 69 HG SER 69 3.340 -4.770 9.040 520 H ALA 70 H ALA 70 7.073 -6.680 6.244 521 HA ALA 70 HA ALA 70 6.915 -7.476 3.597 522 HB1 ALA 70 1HB ALA 70 8.505 -9.124 4.213 523 HB2 ALA 70 2HB ALA 70 8.777 -7.786 5.355 524 HB3 ALA 70 3HB ALA 70 7.877 -9.230 5.876 525 H ASP 71 H ASP 71 4.945 -8.305 6.386 526 HA ASP 71 HA ASP 71 4.018 -10.739 5.251 527 HB2 ASP 71 1HB ASP 71 4.118 -10.024 7.763 528 HB3 ASP 71 2HB ASP 71 2.654 -9.118 7.436 529 H GLY 72 H GLY 72 3.564 -7.466 4.551 530 HA2 GLY 72 1HA GLY 72 1.980 -7.221 2.620 531 HA3 GLY 72 2HA GLY 72 0.755 -7.848 3.705 532 H LEU 73 H LEU 73 -0.551 -5.977 3.770 533 HA LEU 73 HA LEU 73 0.729 -3.681 5.083 534 HB2 LEU 73 1HB LEU 73 -1.664 -3.298 3.356 535 HB3 LEU 73 2HB LEU 73 -0.365 -2.188 3.748 536 HG LEU 73 HG LEU 73 0.207 -4.592 2.037 537 HD11 LEU 73 1HD1 LEU 73 -0.455 -3.500 0.039 538 HD12 LEU 73 2HD1 LEU 73 -1.843 -3.416 1.151 539 HD13 LEU 73 3HD1 LEU 73 -0.816 -1.984 0.899 540 HD21 LEU 73 1HD2 LEU 73 1.484 -2.146 1.240 541 HD22 LEU 73 2HD2 LEU 73 1.697 -2.389 2.991 542 HD23 LEU 73 3HD2 LEU 73 2.206 -3.655 1.848 543 H ARG 74 H ARG 74 -1.176 -2.241 6.102 544 HA ARG 74 HA ARG 74 -3.328 -3.830 7.053 545 HB2 ARG 74 1HB ARG 74 -0.985 -3.102 8.839 546 HB3 ARG 74 2HB ARG 74 -2.591 -3.185 9.533 547 HG2 ARG 74 1HG ARG 74 -2.560 -5.533 8.100 548 HG3 ARG 74 2HG ARG 74 -0.858 -5.385 8.492 549 HD2 ARG 74 1HD ARG 74 -1.287 -5.363 10.860 550 HD3 ARG 74 2HD ARG 74 -2.993 -5.035 10.634 551 HE ARG 74 HE ARG 74 -2.645 -7.448 9.321 552 HH11 ARG 74 2HH2 ARG 74 -1.887 -6.308 12.563 553 HH12 ARG 74 1HH2 ARG 74 -2.060 -7.871 13.290 554 HH21 ARG 74 2HH1 ARG 74 -2.873 -9.509 10.280 555 HH22 ARG 74 1HH1 ARG 74 -2.624 -9.704 11.983 556 H VAL 75 H VAL 75 -4.971 -2.349 6.771 557 HA VAL 75 HA VAL 75 -4.385 0.465 7.028 558 HB VAL 75 HB VAL 75 -6.930 -1.016 6.334 559 HG11 VAL 75 1HG1 VAL 75 -7.499 1.183 7.093 560 HG12 VAL 75 2HG1 VAL 75 -6.177 1.917 6.154 561 HG13 VAL 75 3HG1 VAL 75 -7.574 1.199 5.315 562 HG21 VAL 75 1HG2 VAL 75 -6.246 -0.065 3.988 563 HG22 VAL 75 2HG2 VAL 75 -4.610 -0.042 4.688 564 HG23 VAL 75 3HG2 VAL 75 -5.513 -1.572 4.586 565 H VAL 76 H VAL 76 -4.011 0.929 9.202 566 HA VAL 76 HA VAL 76 -5.853 -0.078 11.176 567 HB VAL 76 HB VAL 76 -3.300 1.469 11.133 568 HG11 VAL 76 1HG1 VAL 76 -3.615 1.676 13.698 569 HG12 VAL 76 2HG1 VAL 76 -4.394 2.879 12.643 570 HG13 VAL 76 3HG1 VAL 76 -5.354 1.553 13.341 571 HG21 VAL 76 1HG2 VAL 76 -2.452 -0.303 12.374 572 HG22 VAL 76 2HG2 VAL 76 -4.047 -0.752 13.023 573 HG23 VAL 76 3HG2 VAL 76 -3.642 -1.114 11.328 574 H ASP 77 H ASP 77 -7.113 1.336 12.605 575 HA ASP 77 HA ASP 77 -8.093 3.595 11.079 576 HB2 ASP 77 1HB ASP 77 -9.669 1.782 11.902 577 HB3 ASP 77 2HB ASP 77 -9.272 2.236 13.548 578 H GLU 78 H GLU 78 -6.906 5.444 11.671 579 HA GLU 78 HA GLU 78 -5.426 5.875 13.812 580 HB2 GLU 78 1HB GLU 78 -7.164 7.761 12.207 581 HB3 GLU 78 2HB GLU 78 -6.231 8.383 13.554 582 HG2 GLU 78 1HG GLU 78 -4.408 6.739 12.157 583 HG3 GLU 78 2HG GLU 78 -5.316 7.539 10.890 584 H LYS 79 H LYS 79 -8.966 5.812 13.728 585 HA LYS 79 HA LYS 79 -9.699 7.226 15.901 586 HB2 LYS 79 1HB LYS 79 -11.034 5.704 14.241 587 HB3 LYS 79 2HB LYS 79 -10.826 4.471 15.468 588 HG2 LYS 79 1HG LYS 79 -11.741 7.168 16.424 589 HG3 LYS 79 2HG LYS 79 -12.894 6.240 15.484 590 HD2 LYS 79 1HD LYS 79 -13.221 4.714 17.159 591 HD3 LYS 79 2HD LYS 79 -11.511 4.603 17.524 592 HE2 LYS 79 1HE LYS 79 -11.708 6.892 18.671 593 HE3 LYS 79 2HE LYS 79 -13.444 6.769 18.468 594 HZ1 LYS 79 1HZ LYS 79 -13.502 4.889 19.827 595 HZ2 LYS 79 2HZ LYS 79 -11.884 4.667 19.787 596 HZ3 LYS 79 3HZ LYS 79 -12.516 5.931 20.607 597 H THR 80 H THR 80 -9.235 3.647 16.225 598 HA THR 80 HA THR 80 -7.930 4.208 18.809 599 HB THR 80 HB THR 80 -10.356 3.262 18.802 600 HG1 THR 80 1HG THR 80 -8.097 1.711 19.859 601 HG21 THR 80 1HG2 THR 80 -8.744 0.892 17.743 602 HG22 THR 80 2HG2 THR 80 -10.255 0.680 18.660 603 HG23 THR 80 3HG2 THR 80 -10.273 1.539 17.101 604 H LYS 81 H LYS 81 -6.966 3.714 15.888 605 HA LYS 81 HA LYS 81 -5.189 2.760 14.989 606 HB2 LYS 81 1HB LYS 81 -4.668 2.263 17.887 607 HB3 LYS 81 2HB LYS 81 -3.705 1.370 16.728 608 HG2 LYS 81 1HG LYS 81 -4.072 4.397 16.598 609 HG3 LYS 81 2HG LYS 81 -2.747 3.634 17.454 610 HD2 LYS 81 1HD LYS 81 -2.399 2.349 15.133 611 HD3 LYS 81 2HD LYS 81 -3.292 3.708 14.481 612 HE2 LYS 81 1HE LYS 81 -1.098 4.516 14.337 613 HE3 LYS 81 2HE LYS 81 -1.588 5.174 15.886 614 HZ1 LYS 81 1HZ LYS 81 -0.278 3.733 16.986 615 HZ2 LYS 81 2HZ LYS 81 -0.436 2.523 15.900 616 HZ3 LYS 81 3HZ LYS 81 0.579 3.766 15.597 617 H ASP 82 H ASP 82 -7.908 1.292 15.914 618 HA ASP 82 HA ASP 82 -7.437 -1.371 16.051 619 HB2 ASP 82 1HB ASP 82 -9.656 0.334 15.662 620 HB3 ASP 82 2HB ASP 82 -9.705 -0.743 14.281 621 H LEU 83 H LEU 83 -8.517 -2.801 13.955 622 HA LEU 83 HA LEU 83 -6.749 -2.112 11.715 623 HB2 LEU 83 1HB LEU 83 -6.388 -4.237 13.098 624 HB3 LEU 83 2HB LEU 83 -7.849 -4.843 12.343 625 HG LEU 83 HG LEU 83 -5.504 -5.425 11.354 626 HD11 LEU 83 1HD1 LEU 83 -6.515 -5.446 9.033 627 HD12 LEU 83 2HD1 LEU 83 -7.469 -6.235 10.313 628 HD13 LEU 83 3HD1 LEU 83 -7.924 -4.614 9.734 629 HD21 LEU 83 1HD2 LEU 83 -4.641 -3.923 9.695 630 HD22 LEU 83 2HD2 LEU 83 -5.978 -2.779 9.959 631 HD23 LEU 83 3HD2 LEU 83 -4.769 -3.044 11.238 632 H ILE 84 H ILE 84 -7.705 -1.429 9.879 633 HA ILE 84 HA ILE 84 -10.586 -1.723 9.689 634 HB ILE 84 HB ILE 84 -8.671 -0.190 7.931 635 HG12 ILE 84 1HG1 ILE 84 -10.319 0.864 10.246 636 HG13 ILE 84 2HG1 ILE 84 -8.609 0.495 10.347 637 HG21 ILE 84 1HG2 ILE 84 -10.419 0.429 6.702 638 HG22 ILE 84 2HG2 ILE 84 -11.331 -0.872 7.505 639 HG23 ILE 84 3HG2 ILE 84 -11.403 0.789 8.141 640 HD11 ILE 84 1HD1 ILE 84 -9.424 2.954 9.747 641 HD12 ILE 84 2HD1 ILE 84 -7.990 2.265 8.948 642 HD13 ILE 84 3HD1 ILE 84 -9.557 2.281 8.105 643 H VAL 85 H VAL 85 -7.591 -2.477 7.795 644 HA VAL 85 HA VAL 85 -9.016 -4.755 6.681 645 HB VAL 85 HB VAL 85 -7.729 -2.554 5.060 646 HG11 VAL 85 1HG1 VAL 85 -7.014 -4.745 4.203 647 HG12 VAL 85 2HG1 VAL 85 -8.713 -5.268 4.113 648 HG13 VAL 85 3HG1 VAL 85 -8.134 -3.941 3.077 649 HG21 VAL 85 1HG2 VAL 85 -10.122 -2.993 3.903 650 HG22 VAL 85 2HG2 VAL 85 -10.520 -3.447 5.577 651 HG23 VAL 85 3HG2 VAL 85 -9.877 -1.825 5.223 652 H ASP 86 H ASP 86 -7.533 -6.394 5.811 653 HA ASP 86 HA ASP 86 -4.801 -5.948 6.715 654 HB2 ASP 86 1HB ASP 86 -5.567 -7.403 8.393 655 HB3 ASP 86 2HB ASP 86 -6.708 -8.200 7.327 656 H GLN 87 H GLN 87 -3.924 -5.721 4.594 657 HA GLN 87 HA GLN 87 -4.667 -7.769 2.678 658 HB2 GLN 87 1HB GLN 87 -4.868 -5.426 1.928 659 HB3 GLN 87 2HB GLN 87 -3.187 -5.125 2.324 660 HG2 GLN 87 1HG GLN 87 -3.010 -5.566 0.037 661 HG3 GLN 87 2HG GLN 87 -2.715 -7.165 0.691 662 HE21 GLN 87 1HE2 GLN 87 -3.754 -8.723 -0.267 663 HE22 GLN 87 2HE2 GLN 87 -5.308 -8.646 -1.029 664 H THR 88 H THR 88 -3.098 -9.123 1.669 665 HA THR 88 HA THR 88 -0.547 -9.216 3.127 666 HB THR 88 HB THR 88 -1.755 -11.267 3.417 667 HG1 THR 88 1HG THR 88 -0.499 -12.645 1.780 668 HG21 THR 88 1HG2 THR 88 -3.534 -11.470 1.923 669 HG22 THR 88 2HG2 THR 88 -2.617 -10.745 0.582 670 HG23 THR 88 3HG2 THR 88 -2.341 -12.445 1.032 671 H ILE 89 H ILE 89 1.424 -9.245 2.076 672 HA ILE 89 HA ILE 89 1.566 -7.813 -0.298 673 HB ILE 89 HB ILE 89 3.281 -8.336 1.627 674 HG12 ILE 89 1HG1 ILE 89 5.133 -7.719 -0.066 675 HG13 ILE 89 2HG1 ILE 89 3.858 -7.704 -1.268 676 HG21 ILE 89 1HG2 ILE 89 5.032 -9.896 0.931 677 HG22 ILE 89 2HG2 ILE 89 3.475 -10.727 1.163 678 HG23 ILE 89 3HG2 ILE 89 4.058 -10.372 -0.481 679 HD11 ILE 89 1HD1 ILE 89 2.741 -5.885 -0.272 680 HD12 ILE 89 2HD1 ILE 89 3.470 -6.186 1.323 681 HD13 ILE 89 3HD1 ILE 89 4.450 -5.480 0.016 682 H GLU 90 H GLU 90 1.122 -11.257 0.356 683 HA GLU 90 HA GLU 90 2.062 -12.319 -1.969 684 HB2 GLU 90 1HB GLU 90 -0.355 -13.130 -0.298 685 HB3 GLU 90 2HB GLU 90 0.325 -14.131 -1.565 686 HG2 GLU 90 1HG GLU 90 1.749 -13.186 0.965 687 HG3 GLU 90 2HG GLU 90 1.247 -14.825 0.601 688 H LYS 91 H LYS 91 -1.456 -11.626 -1.320 689 HA LYS 91 HA LYS 91 -2.404 -11.943 -3.822 690 HB2 LYS 91 1HB LYS 91 -3.232 -9.848 -1.791 691 HB3 LYS 91 2HB LYS 91 -4.184 -10.331 -3.180 692 HG2 LYS 91 1HG LYS 91 -3.438 -11.981 -0.743 693 HG3 LYS 91 2HG LYS 91 -5.036 -11.649 -1.383 694 HD2 LYS 91 1HD LYS 91 -4.115 -12.927 -3.537 695 HD3 LYS 91 2HD LYS 91 -2.950 -13.589 -2.407 696 HE2 LYS 91 1HE LYS 91 -5.672 -13.670 -1.297 697 HE3 LYS 91 2HE LYS 91 -5.590 -14.503 -2.836 698 HZ1 LYS 91 1HZ LYS 91 -4.781 -16.155 -1.624 699 HZ2 LYS 91 2HZ LYS 91 -3.369 -15.335 -1.599 700 HZ3 LYS 91 3HZ LYS 91 -4.408 -15.211 -0.345 701 H VAL 92 H VAL 92 -0.851 -8.964 -2.477 702 HA VAL 92 HA VAL 92 -1.204 -7.334 -4.660 703 HB VAL 92 HB VAL 92 1.096 -7.528 -2.707 704 HG11 VAL 92 1HG1 VAL 92 1.079 -6.062 -5.048 705 HG12 VAL 92 2HG1 VAL 92 0.491 -4.890 -3.844 706 HG13 VAL 92 3HG1 VAL 92 2.055 -5.705 -3.603 707 HG21 VAL 92 1HG2 VAL 92 -1.396 -5.791 -2.682 708 HG22 VAL 92 2HG2 VAL 92 -1.104 -7.212 -1.651 709 HG23 VAL 92 3HG2 VAL 92 -0.083 -5.765 -1.481 710 H SER 93 H SER 93 -0.652 -7.575 -6.758 711 HA SER 93 HA SER 93 1.652 -9.278 -7.283 712 HB2 SER 93 1HB SER 93 -0.384 -10.166 -8.270 713 HB3 SER 93 2HB SER 93 -0.797 -8.613 -8.967 714 HG SER 93 HG SER 93 1.738 -9.519 -9.736 715 H PHE 94 H PHE 94 -0.040 -6.210 -8.162 716 HA PHE 94 HA PHE 94 2.547 -5.208 -9.103 717 HB2 PHE 94 1HB PHE 94 0.828 -5.861 -10.938 718 HB3 PHE 94 2HB PHE 94 -0.243 -4.646 -10.270 719 HD1 PHE 94 1HD PHE 94 3.209 -5.005 -11.634 720 HD2 PHE 94 2HD PHE 94 -0.168 -2.489 -11.112 721 HE1 PHE 94 1HE PHE 94 4.287 -3.259 -13.079 722 HE2 PHE 94 2HE PHE 94 0.910 -0.742 -12.557 723 HZ PHE 94 HZ PHE 94 3.125 -1.148 -13.523 724 H CYS 95 H CYS 95 2.815 -2.866 -8.899 725 HA CYS 95 HA CYS 95 0.769 -1.429 -7.499 726 HB2 CYS 95 1HB CYS 95 2.407 -0.789 -5.633 727 HB3 CYS 95 2HB CYS 95 1.627 -2.354 -5.524 728 HG CYS 95 HG CYS 95 4.359 -2.108 -4.909 729 H ALA 96 H ALA 96 0.779 0.460 -8.668 730 HA ALA 96 HA ALA 96 3.400 1.598 -9.328 731 HB1 ALA 96 1HB ALA 96 1.030 1.713 -11.212 732 HB2 ALA 96 2HB ALA 96 2.746 2.037 -11.557 733 HB3 ALA 96 3HB ALA 96 2.197 0.369 -11.264 734 HA PRO 97 HA PRO 97 1.633 5.208 -7.734 735 HB2 PRO 97 1HB PRO 97 3.090 7.158 -8.976 736 HB3 PRO 97 2HB PRO 97 3.681 6.250 -7.598 737 HG2 PRO 97 1HG PRO 97 4.427 5.990 -10.447 738 HG3 PRO 97 2HG PRO 97 5.284 5.415 -9.031 739 HD2 PRO 97 1HD PRO 97 3.708 3.842 -10.839 740 HD3 PRO 97 2HD PRO 97 4.470 3.290 -9.360 741 H ASP 98 H ASP 98 1.220 7.746 -8.764 742 HA ASP 98 HA ASP 98 -0.717 7.060 -10.833 743 HB2 ASP 98 1HB ASP 98 -2.086 8.971 -9.941 744 HB3 ASP 98 2HB ASP 98 -1.889 7.667 -8.787 745 H ARG 99 H ARG 99 -1.451 9.538 -11.768 746 HA ARG 99 HA ARG 99 0.777 11.275 -11.941 747 HB2 ARG 99 1HB ARG 99 0.064 9.427 -14.230 748 HB3 ARG 99 2HB ARG 99 0.608 11.048 -14.612 749 HG2 ARG 99 1HG ARG 99 2.456 10.230 -12.681 750 HG3 ARG 99 2HG ARG 99 2.147 8.747 -13.561 751 HD2 ARG 99 1HD ARG 99 2.386 10.741 -15.569 752 HD3 ARG 99 2HD ARG 99 3.646 11.118 -14.411 753 HE ARG 99 HE ARG 99 3.573 8.273 -14.989 754 HH11 ARG 99 2HH2 ARG 99 4.678 11.368 -16.246 755 HH12 ARG 99 1HH2 ARG 99 5.955 10.675 -17.188 756 HH21 ARG 99 2HH1 ARG 99 5.257 7.357 -16.233 757 HH22 ARG 99 1HH1 ARG 99 6.286 8.378 -17.181 758 H ASN 100 H ASN 100 -1.855 11.612 -10.970 759 HA ASN 100 HA ASN 100 -2.796 13.563 -12.873 760 HB2 ASN 100 1HB ASN 100 -4.711 11.572 -11.553 761 HB3 ASN 100 2HB ASN 100 -5.134 12.805 -12.724 762 HD21 ASN 100 1HD2 ASN 100 -4.691 9.627 -12.353 763 HD22 ASN 100 2HD2 ASN 100 -4.197 9.140 -13.940 764 H PHE 101 H PHE 101 -3.209 11.886 -9.678 765 HA PHE 101 HA PHE 101 -4.216 14.334 -8.496 766 HB2 PHE 101 1HB PHE 101 -3.530 11.649 -7.182 767 HB3 PHE 101 2HB PHE 101 -4.699 12.826 -6.618 768 HD1 PHE 101 2HD PHE 101 -4.052 10.214 -9.124 769 HD2 PHE 101 1HD PHE 101 -6.929 12.880 -7.504 770 HE1 PHE 101 2HE PHE 101 -5.874 8.980 -10.331 771 HE2 PHE 101 1HE PHE 101 -8.751 11.646 -8.711 772 HZ PHE 101 HZ PHE 101 -8.202 9.711 -10.110 773 H ASP 102 H ASP 102 -3.296 14.845 -6.194 774 HA ASP 102 HA ASP 102 -0.600 15.480 -6.576 775 HB2 ASP 102 1HB ASP 102 -2.659 16.369 -4.950 776 HB3 ASP 102 2HB ASP 102 -1.661 15.515 -3.791 777 H ARG 103 H ARG 103 -2.428 13.120 -4.520 778 HA ARG 103 HA ARG 103 -0.055 11.517 -4.388 779 HB2 ARG 103 1HB ARG 103 -0.314 11.214 -1.876 780 HB3 ARG 103 2HB ARG 103 0.227 12.813 -2.347 781 HG2 ARG 103 1HG ARG 103 -2.419 13.315 -2.381 782 HG3 ARG 103 2HG ARG 103 -2.459 11.954 -1.277 783 HD2 ARG 103 1HD ARG 103 -1.709 13.257 0.425 784 HD3 ARG 103 2HD ARG 103 -0.278 13.690 -0.490 785 HE ARG 103 HE ARG 103 -2.772 15.252 -0.284 786 HH11 ARG 103 2HH2 ARG 103 0.276 14.800 -1.983 787 HH12 ARG 103 1HH2 ARG 103 0.303 16.408 -2.625 788 HH21 ARG 103 2HH1 ARG 103 -2.736 17.374 -1.130 789 HH22 ARG 103 1HH1 ARG 103 -1.421 17.882 -2.137 790 H ALA 104 H ALA 104 -1.371 10.107 -5.756 791 HA ALA 104 HA ALA 104 -3.481 8.744 -4.232 792 HB1 ALA 104 1HB ALA 104 -4.555 8.380 -6.522 793 HB2 ALA 104 2HB ALA 104 -4.618 10.042 -5.888 794 HB3 ALA 104 3HB ALA 104 -3.430 9.613 -7.142 795 H PHE 105 H PHE 105 -2.619 6.807 -3.656 796 HA PHE 105 HA PHE 105 -1.015 5.442 -5.703 797 HB2 PHE 105 1HB PHE 105 0.415 5.860 -3.823 798 HB3 PHE 105 2HB PHE 105 -0.907 5.745 -2.678 799 HD1 PHE 105 2HD PHE 105 1.088 3.642 -5.020 800 HD2 PHE 105 1HD PHE 105 -1.178 3.803 -1.435 801 HE1 PHE 105 2HE PHE 105 1.745 1.276 -4.498 802 HE2 PHE 105 1HE PHE 105 -0.520 1.437 -0.913 803 HZ PHE 105 HZ PHE 105 0.933 0.202 -2.451 804 H SER 106 H SER 106 -1.549 3.328 -6.248 805 HA SER 106 HA SER 106 -3.489 1.986 -4.597 806 HB2 SER 106 1HB SER 106 -4.921 1.457 -6.610 807 HB3 SER 106 2HB SER 106 -4.973 3.137 -6.114 808 HG SER 106 HG SER 106 -4.594 3.395 -8.241 809 H TYR 107 H TYR 107 -3.464 -0.339 -4.914 810 HA TYR 107 HA TYR 107 -1.454 -1.296 -6.823 811 HB2 TYR 107 1HB TYR 107 -0.488 -2.639 -4.998 812 HB3 TYR 107 2HB TYR 107 -0.611 -1.000 -4.392 813 HD1 TYR 107 2HD TYR 107 -2.482 -4.242 -4.438 814 HD2 TYR 107 1HD TYR 107 -1.703 -0.583 -2.363 815 HE1 TYR 107 2HE TYR 107 -3.842 -5.069 -2.455 816 HE2 TYR 107 1HE TYR 107 -3.065 -1.422 -0.387 817 HH TYR 107 HH TYR 107 -5.072 -3.188 -0.206 818 H ILE 108 H ILE 108 -1.765 -3.491 -7.531 819 HA ILE 108 HA ILE 108 -4.538 -4.330 -7.204 820 HB ILE 108 HB ILE 108 -2.409 -5.108 -9.199 821 HG12 ILE 108 1HG1 ILE 108 -4.845 -3.318 -9.423 822 HG13 ILE 108 2HG1 ILE 108 -3.166 -2.824 -9.514 823 HG21 ILE 108 1HG2 ILE 108 -4.287 -6.815 -8.489 824 HG22 ILE 108 2HG2 ILE 108 -5.299 -5.797 -9.541 825 HG23 ILE 108 3HG2 ILE 108 -3.845 -6.586 -10.198 826 HD11 ILE 108 1HD1 ILE 108 -3.915 -5.003 -11.402 827 HD12 ILE 108 2HD1 ILE 108 -4.705 -3.436 -11.701 828 HD13 ILE 108 3HD1 ILE 108 -2.928 -3.548 -11.677 829 H CYS 109 H CYS 109 -5.123 -6.409 -6.473 830 HA CYS 109 HA CYS 109 -3.049 -8.243 -5.744 831 HB2 CYS 109 1HB CYS 109 -3.352 -8.272 -3.395 832 HB3 CYS 109 2HB CYS 109 -3.110 -6.590 -3.824 833 HG CYS 109 HG CYS 109 -5.532 -5.820 -3.769 834 H ARG 110 H ARG 110 -3.964 -10.372 -5.374 835 HA ARG 110 HA ARG 110 -6.596 -10.578 -6.473 836 HB2 ARG 110 1HB ARG 110 -4.747 -12.102 -7.209 837 HB3 ARG 110 2HB ARG 110 -4.616 -12.736 -5.580 838 HG2 ARG 110 1HG ARG 110 -6.840 -13.708 -5.680 839 HG3 ARG 110 2HG ARG 110 -7.222 -12.847 -7.158 840 HD2 ARG 110 1HD ARG 110 -5.568 -14.152 -8.422 841 HD3 ARG 110 2HD ARG 110 -4.973 -14.905 -6.956 842 HE ARG 110 HE ARG 110 -7.838 -15.323 -7.334 843 HH11 ARG 110 2HH2 ARG 110 -4.641 -16.506 -8.206 844 HH12 ARG 110 1HH2 ARG 110 -5.192 -18.108 -8.565 845 HH21 ARG 110 2HH1 ARG 110 -8.566 -17.437 -7.808 846 HH22 ARG 110 1HH1 ARG 110 -7.439 -18.641 -8.337 847 H ASP 111 H ASP 111 -8.068 -9.912 -4.838 848 HA ASP 111 HA ASP 111 -7.903 -10.282 -2.206 849 HB2 ASP 111 1HB ASP 111 -9.742 -9.087 -3.403 850 HB3 ASP 111 2HB ASP 111 -10.403 -10.622 -3.930 851 H GLY 112 H GLY 112 -8.889 -11.925 -0.702 852 HA2 GLY 112 1HA GLY 112 -8.821 -14.633 -1.881 853 HA3 GLY 112 2HA GLY 112 -8.388 -14.219 -0.234 854 H THR 113 H THR 113 -10.496 -12.501 0.535 855 HA THR 113 HA THR 113 -12.419 -14.246 1.397 856 HB THR 113 HB THR 113 -13.766 -11.979 1.575 857 HG1 THR 113 1HG THR 113 -12.740 -10.570 0.191 858 HG21 THR 113 1HG2 THR 113 -12.476 -12.732 3.521 859 HG22 THR 113 2HG2 THR 113 -10.944 -12.311 2.716 860 HG23 THR 113 3HG2 THR 113 -12.066 -11.025 3.223 861 H THR 114 H THR 114 -12.261 -12.482 -1.709 862 HA THR 114 HA THR 114 -14.757 -13.854 -2.466 863 HB THR 114 HB THR 114 -13.469 -11.231 -3.377 864 HG1 THR 114 1HG THR 114 -14.789 -11.427 -1.347 865 HG21 THR 114 1HG2 THR 114 -16.200 -12.213 -4.252 866 HG22 THR 114 2HG2 THR 114 -15.153 -10.994 -5.016 867 HG23 THR 114 3HG2 THR 114 -14.767 -12.724 -5.175 868 H ARG 115 H ARG 115 -11.331 -13.698 -2.901 869 HA ARG 115 HA ARG 115 -9.977 -14.794 -4.178 870 HB2 ARG 115 1HB ARG 115 -12.498 -16.404 -4.626 871 HB3 ARG 115 2HB ARG 115 -11.115 -16.744 -5.647 872 HG2 ARG 115 1HG ARG 115 -10.563 -16.515 -2.706 873 HG3 ARG 115 2HG ARG 115 -11.497 -17.909 -3.210 874 HD2 ARG 115 1HD ARG 115 -9.478 -17.878 -5.119 875 HD3 ARG 115 2HD ARG 115 -8.633 -17.278 -3.706 876 HE ARG 115 HE ARG 115 -9.970 -19.430 -2.665 877 HH11 ARG 115 2HH2 ARG 115 -7.977 -19.071 -5.543 878 HH12 ARG 115 1HH2 ARG 115 -7.432 -20.715 -5.526 879 HH21 ARG 115 2HH1 ARG 115 -9.251 -21.599 -2.642 880 HH22 ARG 115 1HH1 ARG 115 -8.161 -22.163 -3.865 881 H ARG 116 H ARG 116 -10.361 -12.441 -5.248 882 HA ARG 116 HA ARG 116 -10.511 -12.990 -8.057 883 HB2 ARG 116 1HB ARG 116 -12.089 -11.133 -8.520 884 HB3 ARG 116 2HB ARG 116 -12.845 -12.327 -7.484 885 HG2 ARG 116 1HG ARG 116 -13.075 -10.848 -5.764 886 HG3 ARG 116 2HG ARG 116 -11.417 -10.298 -5.907 887 HD2 ARG 116 1HD ARG 116 -13.045 -8.458 -6.366 888 HD3 ARG 116 2HD ARG 116 -12.024 -8.779 -7.754 889 HE ARG 116 HE ARG 116 -13.881 -9.719 -8.911 890 HH11 ARG 116 2HH2 ARG 116 -14.730 -8.876 -5.602 891 HH12 ARG 116 1HH2 ARG 116 -16.436 -9.020 -5.867 892 HH21 ARG 116 2HH1 ARG 116 -16.131 -9.909 -9.262 893 HH22 ARG 116 1HH1 ARG 116 -17.238 -9.611 -7.963 894 H TRP 117 H TRP 117 -10.373 -10.334 -9.023 895 HA TRP 117 HA TRP 117 -7.819 -9.509 -7.868 896 HB2 TRP 117 1HB TRP 117 -8.991 -8.464 -10.426 897 HB3 TRP 117 2HB TRP 117 -7.314 -8.529 -9.921 898 HD1 TRP 117 HD TRP 117 -9.967 -10.645 -11.655 899 HE1 TRP 117 1HE TRP 117 -8.968 -12.896 -12.600 900 HE3 TRP 117 3HE TRP 117 -5.460 -10.228 -9.339 901 HZ2 TRP 117 2HZ TRP 117 -6.460 -14.221 -12.280 902 HZ3 TRP 117 3HZ TRP 117 -3.792 -12.044 -9.708 903 HH2 TRP 117 HH TRP 117 -4.233 -13.990 -11.120 904 H ILE 118 H ILE 118 -7.853 -7.838 -6.430 905 HA ILE 118 HA ILE 118 -9.918 -5.793 -6.823 906 HB ILE 118 HB ILE 118 -9.188 -7.255 -4.298 907 HG12 ILE 118 1HG1 ILE 118 -11.019 -8.118 -5.775 908 HG13 ILE 118 2HG1 ILE 118 -11.513 -7.728 -4.139 909 HG21 ILE 118 1HG2 ILE 118 -9.140 -5.207 -3.332 910 HG22 ILE 118 2HG2 ILE 118 -10.091 -4.443 -4.629 911 HG23 ILE 118 3HG2 ILE 118 -10.908 -5.414 -3.380 912 HD11 ILE 118 1HD1 ILE 118 -12.268 -6.426 -6.710 913 HD12 ILE 118 2HD1 ILE 118 -13.195 -6.583 -5.198 914 HD13 ILE 118 3HD1 ILE 118 -11.960 -5.312 -5.357 915 H CYS 119 H CYS 119 -9.155 -3.722 -6.814 916 HA CYS 119 HA CYS 119 -6.312 -3.456 -6.185 917 HB2 CYS 119 1HB CYS 119 -6.675 -2.867 -8.453 918 HB3 CYS 119 2HB CYS 119 -8.119 -1.946 -8.081 919 HG CYS 119 HG CYS 119 -7.114 0.075 -7.097 920 H HIS 120 H HIS 120 -5.707 -2.091 -4.498 921 HA HIS 120 HA HIS 120 -7.914 -0.706 -3.169 922 HB2 HIS 120 1HB HIS 120 -5.329 -1.883 -2.140 923 HB3 HIS 120 2HB HIS 120 -6.268 -0.741 -1.199 924 HD1 HIS 120 1HD HIS 120 -7.753 -1.878 0.440 925 HD2 HIS 120 2HD HIS 120 -7.263 -4.142 -3.057 926 HE1 HIS 120 1HE HIS 120 -9.106 -4.016 0.776 927 H CYS 121 H CYS 121 -7.970 1.480 -3.291 928 HA CYS 121 HA CYS 121 -5.524 2.788 -4.202 929 HB2 CYS 121 1HB CYS 121 -8.241 4.092 -4.180 930 HB3 CYS 121 2HB CYS 121 -6.842 4.473 -5.164 931 HG CYS 121 HG CYS 121 -6.807 2.084 -6.392 932 H PHE 122 H PHE 122 -4.624 4.499 -2.962 933 HA PHE 122 HA PHE 122 -6.024 5.156 -0.482 934 HB2 PHE 122 1HB PHE 122 -3.047 4.460 -0.840 935 HB3 PHE 122 2HB PHE 122 -3.799 4.897 0.681 936 HD1 PHE 122 1HD PHE 122 -3.810 2.311 -1.979 937 HD2 PHE 122 2HD PHE 122 -4.793 3.260 2.039 938 HE1 PHE 122 1HE PHE 122 -4.307 -0.108 -1.529 939 HE2 PHE 122 2HE PHE 122 -5.290 0.841 2.488 940 HZ PHE 122 HZ PHE 122 -5.041 -0.814 0.699 941 H MET 123 H MET 123 -5.940 7.319 0.046 942 HA MET 123 HA MET 123 -4.354 8.945 -1.767 943 HB2 MET 123 1HB MET 123 -6.993 9.164 -0.419 944 HB3 MET 123 2HB MET 123 -6.045 10.629 -0.256 945 HG2 MET 123 1HG MET 123 -5.955 9.514 -2.998 946 HG3 MET 123 2HG MET 123 -7.581 9.920 -2.486 947 HE1 MET 123 1HE MET 123 -4.739 12.676 -4.270 948 HE2 MET 123 2HE MET 123 -4.617 10.909 -4.093 949 HE3 MET 123 3HE MET 123 -6.017 11.626 -4.927 950 H ALA 124 H ALA 124 -2.322 9.237 -0.882 951 HA ALA 124 HA ALA 124 -1.610 9.150 1.731 952 HB1 ALA 124 1HB ALA 124 -0.365 9.645 -0.650 953 HB2 ALA 124 2HB ALA 124 -0.258 11.247 0.118 954 HB3 ALA 124 3HB ALA 124 0.418 9.819 0.939 955 H VAL 125 H VAL 125 -0.891 11.000 3.198 956 HA VAL 125 HA VAL 125 -3.046 12.979 3.227 957 HB VAL 125 HB VAL 125 -1.248 11.785 5.327 958 HG11 VAL 125 1HG1 VAL 125 -2.906 13.452 6.735 959 HG12 VAL 125 2HG1 VAL 125 -1.212 13.808 6.321 960 HG13 VAL 125 3HG1 VAL 125 -2.529 14.442 5.305 961 HG21 VAL 125 1HG2 VAL 125 -4.069 11.965 5.957 962 HG22 VAL 125 2HG2 VAL 125 -3.827 11.165 4.385 963 HG23 VAL 125 3HG2 VAL 125 -3.021 10.530 5.840 964 H LYS 126 H LYS 126 0.415 12.884 4.335 965 HA LYS 126 HA LYS 126 0.693 15.542 3.116 966 HB2 LYS 126 1HB LYS 126 2.378 16.006 4.812 967 HB3 LYS 126 2HB LYS 126 0.850 15.579 5.554 968 HG2 LYS 126 1HG LYS 126 1.644 13.274 5.964 969 HG3 LYS 126 2HG LYS 126 3.138 13.604 5.109 970 HD2 LYS 126 1HD LYS 126 2.721 15.623 7.173 971 HD3 LYS 126 2HD LYS 126 2.593 14.025 7.879 972 HE2 LYS 126 1HE LYS 126 4.871 14.034 7.943 973 HE3 LYS 126 2HE LYS 126 4.807 13.736 6.217 974 HZ1 LYS 126 1HZ LYS 126 4.441 16.438 6.571 975 HZ2 LYS 126 2HZ LYS 126 5.685 16.025 7.546 976 HZ3 LYS 126 3HZ LYS 126 5.751 15.688 5.949 977 H ASP 127 H ASP 127 1.814 12.207 3.270 978 HA ASP 127 HA ASP 127 4.297 12.716 2.049 979 HB2 ASP 127 1HB ASP 127 2.668 10.133 2.045 980 HB3 ASP 127 2HB ASP 127 4.393 10.267 1.767 981 H THR 128 H THR 128 4.532 11.002 -0.120 982 HA THR 128 HA THR 128 2.444 11.918 -1.988 983 HB THR 128 HB THR 128 4.620 13.153 -2.233 984 HG1 THR 128 1HG THR 128 3.233 12.487 -4.086 985 HG21 THR 128 1HG2 THR 128 6.237 11.427 -1.511 986 HG22 THR 128 2HG2 THR 128 5.679 10.334 -2.800 987 HG23 THR 128 3HG2 THR 128 6.543 11.834 -3.217 988 H GLY 129 H GLY 129 1.858 10.505 -3.698 989 HA2 GLY 129 1HA GLY 129 1.420 7.905 -3.057 990 HA3 GLY 129 2HA GLY 129 1.545 8.506 -4.698 991 H GLU 130 H GLU 130 4.427 9.367 -4.311 992 HA GLU 130 HA GLU 130 5.607 7.091 -5.291 993 HB2 GLU 130 1HB GLU 130 6.350 9.793 -4.749 994 HB3 GLU 130 2HB GLU 130 7.573 8.791 -3.994 995 HG2 GLU 130 1HG GLU 130 8.344 9.115 -6.233 996 HG3 GLU 130 2HG GLU 130 7.704 7.483 -6.210 997 H ARG 131 H ARG 131 6.320 8.638 -2.069 998 HA ARG 131 HA ARG 131 7.840 6.801 -0.982 999 HB2 ARG 131 1HB ARG 131 5.452 8.081 0.443 1000 HB3 ARG 131 2HB ARG 131 6.866 7.423 1.241 1001 HG2 ARG 131 1HG ARG 131 7.894 9.207 -0.715 1002 HG3 ARG 131 2HG ARG 131 6.513 10.038 -0.029 1003 HD2 ARG 131 1HD ARG 131 8.171 8.711 2.031 1004 HD3 ARG 131 2HD ARG 131 9.070 9.898 1.108 1005 HE ARG 131 HE ARG 131 6.847 10.429 2.948 1006 HH11 ARG 131 2HH2 ARG 131 8.729 11.679 0.249 1007 HH12 ARG 131 1HH2 ARG 131 8.338 13.334 0.578 1008 HH21 ARG 131 2HH1 ARG 131 6.331 12.613 3.381 1009 HH22 ARG 131 1HH1 ARG 131 6.965 13.869 2.371 1010 H LEU 132 H LEU 132 4.200 6.688 -0.865 1011 HA LEU 132 HA LEU 132 3.887 4.341 0.479 1012 HB2 LEU 132 1HB LEU 132 2.264 5.475 -1.801 1013 HB3 LEU 132 2HB LEU 132 1.742 4.147 -0.783 1014 HG LEU 132 HG LEU 132 2.235 5.911 1.158 1015 HD11 LEU 132 1HD1 LEU 132 1.113 8.088 -0.112 1016 HD12 LEU 132 2HD1 LEU 132 2.820 7.911 0.361 1017 HD13 LEU 132 3HD1 LEU 132 2.308 7.503 -1.295 1018 HD21 LEU 132 1HD2 LEU 132 -0.075 6.262 1.326 1019 HD22 LEU 132 2HD2 LEU 132 -0.309 6.195 -0.437 1020 HD23 LEU 132 3HD2 LEU 132 0.081 4.712 0.466 1021 H SER 133 H SER 133 3.976 4.670 -3.144 1022 HA SER 133 HA SER 133 3.970 2.024 -3.700 1023 HB2 SER 133 1HB SER 133 4.406 2.682 -5.858 1024 HB3 SER 133 2HB SER 133 4.099 4.272 -5.190 1025 HG SER 133 HG SER 133 6.412 4.526 -4.869 1026 H HIS 134 H HIS 134 6.534 3.989 -2.300 1027 HA HIS 134 HA HIS 134 8.628 2.174 -2.985 1028 HB2 HIS 134 1HB HIS 134 9.733 4.071 -2.623 1029 HB3 HIS 134 2HB HIS 134 8.360 4.803 -1.817 1030 HD1 HIS 134 1HD HIS 134 10.936 2.114 -0.843 1031 HD2 HIS 134 2HD HIS 134 9.026 5.505 0.722 1032 HE1 HIS 134 1HE HIS 134 11.862 2.433 1.513 1033 H ALA 135 H ALA 135 6.751 3.004 0.004 1034 HA ALA 135 HA ALA 135 8.004 1.202 1.690 1035 HB1 ALA 135 1HB ALA 135 5.490 1.300 2.692 1036 HB2 ALA 135 2HB ALA 135 6.654 2.636 2.857 1037 HB3 ALA 135 3HB ALA 135 5.418 2.686 1.577 1038 H VAL 136 H VAL 136 4.928 0.789 -0.210 1039 HA VAL 136 HA VAL 136 4.572 -1.883 0.466 1040 HB VAL 136 HB VAL 136 2.880 -0.368 -0.486 1041 HG11 VAL 136 1HG1 VAL 136 3.444 -0.764 -3.287 1042 HG12 VAL 136 2HG1 VAL 136 3.191 0.752 -2.389 1043 HG13 VAL 136 3HG1 VAL 136 4.821 0.046 -2.501 1044 HG21 VAL 136 1HG2 VAL 136 3.429 -3.103 -1.493 1045 HG22 VAL 136 2HG2 VAL 136 1.997 -2.447 -0.663 1046 HG23 VAL 136 3HG2 VAL 136 2.221 -2.167 -2.407 1047 H GLY 137 H GLY 137 6.728 -0.284 -1.838 1048 HA2 GLY 137 1HA GLY 137 7.284 -2.689 -3.334 1049 HA3 GLY 137 2HA GLY 137 8.063 -1.126 -3.481 1050 H CYS 138 H CYS 138 8.157 -1.488 -0.237 1051 HA CYS 138 HA CYS 138 10.866 -2.423 -0.326 1052 HB2 CYS 138 1HB CYS 138 9.134 -1.352 1.920 1053 HB3 CYS 138 2HB CYS 138 10.780 -1.904 2.157 1054 HG CYS 138 HG CYS 138 10.655 -0.169 -0.470 1055 H ALA 139 H ALA 139 7.788 -3.306 1.413 1056 HA ALA 139 HA ALA 139 8.703 -5.621 2.593 1057 HB1 ALA 139 1HB ALA 139 6.616 -5.441 3.399 1058 HB2 ALA 139 2HB ALA 139 6.216 -4.244 2.145 1059 HB3 ALA 139 3HB ALA 139 5.976 -5.979 1.828 1060 H PHE 140 H PHE 140 7.196 -5.119 -0.663 1061 HA PHE 140 HA PHE 140 6.978 -7.691 -1.479 1062 HB2 PHE 140 1HB PHE 140 6.871 -5.103 -2.546 1063 HB3 PHE 140 2HB PHE 140 8.247 -5.765 -3.406 1064 HD1 PHE 140 1HD PHE 140 4.705 -6.570 -2.568 1065 HD2 PHE 140 2HD PHE 140 7.891 -7.000 -5.337 1066 HE1 PHE 140 1HE PHE 140 3.151 -7.704 -4.180 1067 HE2 PHE 140 2HE PHE 140 6.337 -8.134 -6.949 1068 HZ PHE 140 HZ PHE 140 3.986 -8.473 -6.351 1069 H ALA 141 H ALA 141 9.911 -5.580 -1.919 1070 HA ALA 141 HA ALA 141 11.504 -7.507 -3.092 1071 HB1 ALA 141 1HB ALA 141 13.375 -6.050 -2.302 1072 HB2 ALA 141 2HB ALA 141 12.053 -5.130 -3.059 1073 HB3 ALA 141 3HB ALA 141 12.216 -5.160 -1.287 1074 H ALA 142 H ALA 142 10.673 -6.899 0.334 1075 HA ALA 142 HA ALA 142 12.665 -8.642 1.363 1076 HB1 ALA 142 1HB ALA 142 10.072 -7.806 2.701 1077 HB2 ALA 142 2HB ALA 142 11.629 -8.207 3.464 1078 HB3 ALA 142 3HB ALA 142 11.457 -6.702 2.530 1079 H CYS 143 H CYS 143 9.044 -8.931 1.104 1080 HA CYS 143 HA CYS 143 8.863 -11.538 1.870 1081 HB2 CYS 143 1HB CYS 143 6.927 -10.057 1.545 1082 HB3 CYS 143 2HB CYS 143 7.164 -10.094 -0.191 1083 HG CYS 143 HG CYS 143 7.378 -13.031 0.485 1084 H LEU 144 H LEU 144 9.265 -10.171 -1.478 1085 HA LEU 144 HA LEU 144 9.384 -12.615 -2.791 1086 HB2 LEU 144 1HB LEU 144 10.426 -9.864 -3.415 1087 HB3 LEU 144 2HB LEU 144 10.687 -11.211 -4.505 1088 HG LEU 144 HG LEU 144 8.109 -9.858 -3.753 1089 HD11 LEU 144 1HD1 LEU 144 9.496 -10.539 -6.352 1090 HD12 LEU 144 2HD1 LEU 144 7.822 -9.942 -6.259 1091 HD13 LEU 144 3HD1 LEU 144 9.162 -8.931 -5.667 1092 HD21 LEU 144 1HD2 LEU 144 7.095 -11.806 -5.217 1093 HD22 LEU 144 2HD2 LEU 144 8.477 -12.714 -4.559 1094 HD23 LEU 144 3HD2 LEU 144 7.291 -11.975 -3.456 1095 H GLU 145 H GLU 145 11.802 -10.794 -0.921 1096 HA GLU 145 HA GLU 145 14.010 -12.204 -1.898 1097 HB2 GLU 145 1HB GLU 145 13.428 -10.259 0.252 1098 HB3 GLU 145 2HB GLU 145 14.714 -11.375 0.668 1099 HG2 GLU 145 1HG GLU 145 15.143 -10.575 -2.060 1100 HG3 GLU 145 2HG GLU 145 14.800 -9.119 -1.147 1101 H ARG 146 H ARG 146 11.377 -13.157 0.076 1102 HA ARG 146 HA ARG 146 12.964 -15.097 1.501 1103 HB2 ARG 146 1HB ARG 146 11.211 -15.209 3.014 1104 HB3 ARG 146 2HB ARG 146 10.833 -13.639 2.333 1105 HG2 ARG 146 1HG ARG 146 9.471 -15.071 0.541 1106 HG3 ARG 146 2HG ARG 146 9.520 -16.310 1.780 1107 HD2 ARG 146 1HD ARG 146 8.552 -13.465 2.324 1108 HD3 ARG 146 2HD ARG 146 7.474 -14.760 1.843 1109 HE ARG 146 HE ARG 146 8.656 -14.389 4.468 1110 HH11 ARG 146 2HH2 ARG 146 7.525 -16.849 2.220 1111 HH12 ARG 146 1HH2 ARG 146 7.187 -18.010 3.461 1112 HH21 ARG 146 2HH1 ARG 146 8.210 -15.920 6.105 1113 HH22 ARG 146 1HH1 ARG 146 7.579 -17.477 5.686 1114 H LYS 147 H LYS 147 10.816 -14.738 -1.269 1115 HA LYS 147 HA LYS 147 10.470 -17.631 -1.460 1116 HB2 LYS 147 1HB LYS 147 8.628 -17.239 -2.778 1117 HB3 LYS 147 2HB LYS 147 8.582 -15.842 -1.722 1118 HG2 LYS 147 1HG LYS 147 9.733 -14.469 -3.442 1119 HG3 LYS 147 2HG LYS 147 9.873 -15.865 -4.491 1120 HD2 LYS 147 1HD LYS 147 7.955 -14.518 -5.205 1121 HD3 LYS 147 2HD LYS 147 7.377 -16.049 -4.579 1122 HE2 LYS 147 1HE LYS 147 7.625 -13.772 -2.623 1123 HE3 LYS 147 2HE LYS 147 6.327 -13.679 -3.797 1124 HZ1 LYS 147 1HZ LYS 147 5.267 -14.980 -2.372 1125 HZ2 LYS 147 2HZ LYS 147 6.174 -16.212 -2.944 1126 HZ3 LYS 147 3HZ LYS 147 6.618 -15.437 -1.577 1127 H GLN 148 H GLN 148 11.635 -14.780 -3.377 1128 HA GLN 148 HA GLN 148 12.614 -16.342 -5.458 1129 HB2 GLN 148 1HB GLN 148 13.532 -13.576 -4.554 1130 HB3 GLN 148 2HB GLN 148 13.825 -14.283 -6.130 1131 HG2 GLN 148 1HG GLN 148 11.145 -14.576 -6.099 1132 HG3 GLN 148 2HG GLN 148 11.247 -13.248 -4.960 1133 HE21 GLN 148 1HE2 GLN 148 13.267 -11.727 -5.813 1134 HE22 GLN 148 2HE2 GLN 148 12.982 -11.081 -7.394 1135 H LYS 149 H LYS 149 15.285 -15.565 -5.892 1136 HA LYS 149 HA LYS 149 16.720 -16.508 -3.531 1137 HB2 LYS 149 1HB LYS 149 17.879 -18.216 -4.711 1138 HB3 LYS 149 2HB LYS 149 16.168 -18.471 -4.991 1139 HG2 LYS 149 1HG LYS 149 16.309 -17.436 -7.210 1140 HG3 LYS 149 2HG LYS 149 17.964 -16.937 -6.925 1141 HD2 LYS 149 1HD LYS 149 18.714 -18.924 -7.711 1142 HD3 LYS 149 2HD LYS 149 17.853 -19.765 -6.438 1143 HE2 LYS 149 1HE LYS 149 16.188 -20.441 -7.851 1144 HE3 LYS 149 2HE LYS 149 16.038 -18.854 -8.579 1145 HZ1 LYS 149 1HZ LYS 149 18.392 -19.675 -9.514 1146 HZ2 LYS 149 2HZ LYS 149 17.587 -21.094 -9.438 1147 HZ3 LYS 149 3HZ LYS 149 16.976 -19.854 -10.308 1148 H ARG 150 H ARG 150 18.985 -15.892 -3.518 1149 HA ARG 150 HA ARG 150 19.374 -13.345 -4.411 1150 HB2 ARG 150 1HB ARG 150 21.881 -13.910 -3.980 1151 HB3 ARG 150 2HB ARG 150 20.773 -14.102 -2.636 1152 HG2 ARG 150 1HG ARG 150 20.889 -16.426 -2.678 1153 HG3 ARG 150 2HG ARG 150 21.135 -16.495 -4.412 1154 HD2 ARG 150 1HD ARG 150 23.464 -15.301 -3.784 1155 HD3 ARG 150 2HD ARG 150 23.164 -16.036 -2.223 1156 HE ARG 150 HE ARG 150 22.706 -18.074 -4.107 1157 HH11 ARG 150 2HH2 ARG 150 25.403 -16.019 -3.166 1158 HH12 ARG 150 1HH2 ARG 150 26.608 -17.182 -3.608 1159 HH21 ARG 150 2HH1 ARG 150 24.296 -19.608 -4.690 1160 HH22 ARG 150 1HH1 ARG 150 25.975 -19.237 -4.481 1161 H SER 151 H SER 151 20.483 -12.415 -6.215 1162 HA SER 151 HA SER 151 21.955 -13.922 -8.016 1163 HB2 SER 151 1HB SER 151 19.480 -14.697 -8.443 1164 HB3 SER 151 2HB SER 151 19.283 -13.137 -9.216 1165 HG SER 151 HG SER 151 20.539 -13.740 -10.881 1166 H GLY 152 H GLY 152 19.513 -11.223 -7.914 1167 HA2 GLY 152 1HA GLY 152 21.042 -9.057 -7.799 1168 HA3 GLY 152 2HA GLY 152 21.291 -9.518 -9.471 1169 HA PRO 153 HA PRO 153 16.833 -8.013 -8.703 1170 HB2 PRO 153 1HB PRO 153 16.682 -5.858 -7.030 1171 HB3 PRO 153 2HB PRO 153 16.321 -7.495 -6.519 1172 HG2 PRO 153 1HG PRO 153 18.718 -5.861 -5.948 1173 HG3 PRO 153 2HG PRO 153 18.146 -7.297 -5.123 1174 HD2 PRO 153 1HD PRO 153 20.316 -7.140 -6.993 1175 HD3 PRO 153 2HD PRO 153 19.670 -8.593 -6.256 1176 H SER 154 H SER 154 15.678 -5.779 -9.212 1177 HA SER 154 HA SER 154 17.519 -3.995 -10.454 1178 HB2 SER 154 1HB SER 154 16.383 -4.215 -12.728 1179 HB3 SER 154 2HB SER 154 17.441 -5.539 -12.282 1180 HG SER 154 HG SER 154 14.749 -5.584 -12.839 1181 H SER 155 H SER 155 14.047 -5.101 -10.557 1182 HA SER 155 HA SER 155 12.214 -4.085 -9.937 1183 HB2 SER 155 1HB SER 155 14.080 -2.703 -8.388 1184 HB3 SER 155 2HB SER 155 13.262 -1.410 -9.243 1185 HG SER 155 HG SER 155 12.344 -2.306 -7.091 1186 H GLY 156 H GLY 156 14.496 -1.598 -11.311 1187 HA2 GLY 156 1HA GLY 156 12.369 -0.622 -13.062 1188 HA3 GLY 156 2HA GLY 156 13.935 0.109 -12.775 Start of MODEL 7 1 H1 GLY 1 H GLY 1 24.663 -7.017 13.770 2 HA2 GLY 1 1HA GLY 1 23.786 -5.569 15.702 3 HA3 GLY 1 2HA GLY 1 23.795 -4.882 14.090 4 H SER 2 H SER 2 22.008 -3.973 16.102 5 HA SER 2 HA SER 2 19.515 -4.785 14.858 6 HB2 SER 2 1HB SER 2 19.368 -6.005 16.884 7 HB3 SER 2 2HB SER 2 20.162 -4.750 17.815 8 HG SER 2 HG SER 2 18.283 -3.440 17.665 9 H SER 3 H SER 3 18.848 -2.924 13.842 10 HA SER 3 HA SER 3 18.348 -0.846 13.476 11 HB2 SER 3 1HB SER 3 17.819 -1.187 16.353 12 HB3 SER 3 2HB SER 3 18.158 0.483 15.942 13 HG SER 3 HG SER 3 16.367 0.602 14.677 14 H GLY 4 H GLY 4 19.121 1.545 13.775 15 HA2 GLY 4 1HA GLY 4 20.907 2.896 14.770 16 HA3 GLY 4 2HA GLY 4 21.986 1.538 14.521 17 H SER 5 H SER 5 21.356 4.511 13.339 18 HA SER 5 HA SER 5 22.780 4.158 11.035 19 HB2 SER 5 1HB SER 5 20.200 3.189 10.618 20 HB3 SER 5 2HB SER 5 20.088 4.826 10.004 21 HG SER 5 HG SER 5 22.343 3.230 9.250 22 H SER 6 H SER 6 23.569 6.192 10.521 23 HA SER 6 HA SER 6 21.891 8.462 10.732 24 HB2 SER 6 1HB SER 6 23.270 9.661 12.434 25 HB3 SER 6 2HB SER 6 22.434 8.274 13.104 26 HG SER 6 HG SER 6 24.336 7.118 13.231 27 H GLY 7 H GLY 7 23.333 10.546 10.283 28 HA2 GLY 7 1HA GLY 7 25.636 11.083 9.461 29 HA3 GLY 7 2HA GLY 7 25.424 9.743 8.351 30 H ALA 8 H ALA 8 25.922 12.465 7.535 31 HA ALA 8 HA ALA 8 25.218 13.943 6.048 32 HB1 ALA 8 1HB ALA 8 24.224 11.548 5.175 33 HB2 ALA 8 2HB ALA 8 22.731 12.509 5.295 34 HB3 ALA 8 3HB ALA 8 24.078 13.078 4.279 35 H SER 9 H SER 9 23.666 15.712 5.741 36 HA SER 9 HA SER 9 22.445 16.371 8.170 37 HB2 SER 9 1HB SER 9 23.209 17.697 5.775 38 HB3 SER 9 2HB SER 9 21.485 17.972 5.928 39 HG SER 9 HG SER 9 21.769 19.003 7.890 40 H ARG 10 H ARG 10 20.299 16.201 8.844 41 HA ARG 10 HA ARG 10 18.224 15.604 8.878 42 HB2 ARG 10 1HB ARG 10 18.349 16.110 5.866 43 HB3 ARG 10 2HB ARG 10 16.855 15.739 6.704 44 HG2 ARG 10 1HG ARG 10 18.654 18.033 7.586 45 HG3 ARG 10 2HG ARG 10 17.436 18.247 6.345 46 HD2 ARG 10 1HD ARG 10 16.310 16.857 8.672 47 HD3 ARG 10 2HD ARG 10 17.044 18.375 9.151 48 HE ARG 10 HE ARG 10 15.344 18.568 6.759 49 HH11 ARG 10 2HH2 ARG 10 15.466 18.778 10.269 50 HH12 ARG 10 1HH2 ARG 10 14.037 19.749 10.388 51 HH21 ARG 10 2HH1 ARG 10 13.459 19.850 6.915 52 HH22 ARG 10 1HH1 ARG 10 12.888 20.364 8.468 53 HA PRO 11 HA PRO 11 18.268 11.341 7.945 54 HB2 PRO 11 1HB PRO 11 15.732 10.626 8.672 55 HB3 PRO 11 2HB PRO 11 17.035 10.839 9.824 56 HG2 PRO 11 1HG PRO 11 14.747 12.624 9.262 57 HG3 PRO 11 2HG PRO 11 15.800 12.596 10.663 58 HD2 PRO 11 1HD PRO 11 15.879 14.472 8.495 59 HD3 PRO 11 2HD PRO 11 17.002 14.372 9.836 60 H HIS 12 H HIS 12 16.231 9.641 7.084 61 HA HIS 12 HA HIS 12 16.040 10.656 4.354 62 HB2 HIS 12 1HB HIS 12 16.925 8.212 5.399 63 HB3 HIS 12 2HB HIS 12 15.348 7.853 4.724 64 HD1 HIS 12 1HD HIS 12 15.130 7.765 2.179 65 HD2 HIS 12 2HD HIS 12 18.845 9.220 3.473 66 HE1 HIS 12 1HE HIS 12 16.611 7.885 0.105 67 H GLN 13 H GLN 13 13.990 9.838 3.141 68 HA GLN 13 HA GLN 13 11.751 10.214 4.973 69 HB2 GLN 13 1HB GLN 13 12.058 11.027 2.051 70 HB3 GLN 13 2HB GLN 13 10.542 11.119 2.925 71 HG2 GLN 13 1HG GLN 13 13.116 12.638 3.516 72 HG3 GLN 13 2HG GLN 13 11.567 13.309 3.046 73 HE21 GLN 13 1HE2 GLN 13 9.711 12.357 4.543 74 HE22 GLN 13 2HE2 GLN 13 9.977 12.569 6.242 75 H TRP 14 H TRP 14 13.255 8.230 2.484 76 HA TRP 14 HA TRP 14 10.831 6.621 2.220 77 HB2 TRP 14 1HB TRP 14 13.452 6.415 0.729 78 HB3 TRP 14 2HB TRP 14 11.976 5.535 0.382 79 HD1 TRP 14 HD TRP 14 12.394 9.386 0.944 80 HE1 TRP 14 1HE TRP 14 11.411 10.727 -1.105 81 HE3 TRP 14 3HE TRP 14 11.180 5.297 -1.823 82 HZ2 TRP 14 2HZ TRP 14 10.262 9.945 -3.597 83 HZ3 TRP 14 3HZ TRP 14 10.131 5.673 -4.053 84 HH2 TRP 14 HH TRP 14 9.670 7.900 -4.949 85 H GLN 15 H GLN 15 14.396 5.937 2.484 86 HA GLN 15 HA GLN 15 14.250 3.458 3.438 87 HB2 GLN 15 1HB GLN 15 16.407 4.295 2.983 88 HB3 GLN 15 2HB GLN 15 16.186 5.713 3.989 89 HG2 GLN 15 1HG GLN 15 16.158 4.220 6.027 90 HG3 GLN 15 2HG GLN 15 16.470 2.840 4.993 91 HE21 GLN 15 1HE2 GLN 15 17.944 4.502 7.149 92 HE22 GLN 15 2HE2 GLN 15 19.544 4.701 6.517 93 H THR 16 H THR 16 14.125 6.481 5.439 94 HA THR 16 HA THR 16 14.059 5.445 7.940 95 HB THR 16 HB THR 16 13.991 7.869 7.313 96 HG1 THR 16 1HG THR 16 13.013 8.110 9.294 97 HG21 THR 16 1HG2 THR 16 11.007 7.353 6.859 98 HG22 THR 16 2HG2 THR 16 11.837 8.925 6.775 99 HG23 THR 16 3HG2 THR 16 12.166 7.678 5.547 100 H ASP 17 H ASP 17 11.352 5.475 5.571 101 HA ASP 17 HA ASP 17 9.662 4.224 7.511 102 HB2 ASP 17 1HB ASP 17 9.397 5.303 4.724 103 HB3 ASP 17 2HB ASP 17 8.287 4.017 5.155 104 H GLU 18 H GLU 18 11.880 3.404 4.901 105 HA GLU 18 HA GLU 18 10.798 1.019 4.054 106 HB2 GLU 18 1HB GLU 18 12.713 2.296 3.002 107 HB3 GLU 18 2HB GLU 18 13.759 1.714 4.281 108 HG2 GLU 18 1HG GLU 18 12.275 -0.515 3.111 109 HG3 GLU 18 2HG GLU 18 13.099 0.384 1.852 110 H GLU 19 H GLU 19 13.537 1.484 6.415 111 HA GLU 19 HA GLU 19 13.841 -1.046 7.202 112 HB2 GLU 19 1HB GLU 19 14.949 -0.203 9.100 113 HB3 GLU 19 2HB GLU 19 15.022 1.142 7.980 114 HG2 GLU 19 1HG GLU 19 12.971 2.126 9.061 115 HG3 GLU 19 2HG GLU 19 12.956 0.800 10.206 116 H GLY 20 H GLY 20 11.253 1.228 8.222 117 HA2 GLY 20 1HA GLY 20 10.149 -0.084 10.355 118 HA3 GLY 20 2HA GLY 20 9.248 0.840 9.169 119 H VAL 21 H VAL 21 10.339 -1.144 7.002 120 HA VAL 21 HA VAL 21 8.083 -2.889 7.155 121 HB VAL 21 HB VAL 21 9.015 -1.802 5.093 122 HG11 VAL 21 1HG1 VAL 21 10.945 -3.944 4.585 123 HG12 VAL 21 2HG1 VAL 21 11.089 -2.188 4.333 124 HG13 VAL 21 3HG1 VAL 21 11.424 -2.888 5.935 125 HG21 VAL 21 1HG2 VAL 21 7.492 -3.381 4.478 126 HG22 VAL 21 2HG2 VAL 21 8.946 -4.160 3.810 127 HG23 VAL 21 3HG2 VAL 21 8.302 -4.681 5.385 128 H ARG 22 H ARG 22 11.529 -3.004 7.966 129 HA ARG 22 HA ARG 22 11.293 -5.867 8.336 130 HB2 ARG 22 1HB ARG 22 13.830 -5.686 8.734 131 HB3 ARG 22 2HB ARG 22 13.286 -5.292 7.115 132 HG2 ARG 22 1HG ARG 22 13.442 -2.905 7.545 133 HG3 ARG 22 2HG ARG 22 13.665 -3.162 9.264 134 HD2 ARG 22 1HD ARG 22 15.817 -2.638 8.068 135 HD3 ARG 22 2HD ARG 22 15.864 -4.178 8.902 136 HE ARG 22 HE ARG 22 15.843 -5.316 6.815 137 HH11 ARG 22 2HH2 ARG 22 15.424 -1.850 6.372 138 HH12 ARG 22 1HH2 ARG 22 15.713 -1.904 4.665 139 HH21 ARG 22 2HH1 ARG 22 16.224 -5.388 4.563 140 HH22 ARG 22 1HH1 ARG 22 16.171 -3.930 3.629 141 H THR 23 H THR 23 11.936 -2.755 10.008 142 HA THR 23 HA THR 23 12.469 -4.011 12.536 143 HB THR 23 HB THR 23 12.703 -1.695 13.280 144 HG1 THR 23 1HG THR 23 11.645 -0.073 12.068 145 HG21 THR 23 1HG2 THR 23 14.233 -2.640 11.211 146 HG22 THR 23 2HG2 THR 23 13.467 -1.245 10.414 147 HG23 THR 23 3HG2 THR 23 14.433 -1.006 11.890 148 H GLY 24 H GLY 24 9.657 -2.511 10.895 149 HA2 GLY 24 1HA GLY 24 7.491 -3.364 11.398 150 HA3 GLY 24 2HA GLY 24 7.982 -3.606 13.063 151 H LYS 25 H LYS 25 7.905 -0.896 10.630 152 HA LYS 25 HA LYS 25 6.104 0.643 12.081 153 HB2 LYS 25 1HB LYS 25 7.723 2.437 12.867 154 HB3 LYS 25 2HB LYS 25 7.642 0.973 13.826 155 HG2 LYS 25 1HG LYS 25 9.950 1.173 13.622 156 HG3 LYS 25 2HG LYS 25 9.622 0.172 12.222 157 HD2 LYS 25 1HD LYS 25 9.951 1.924 10.705 158 HD3 LYS 25 2HD LYS 25 9.466 3.157 11.851 159 HE2 LYS 25 1HE LYS 25 11.849 1.767 12.821 160 HE3 LYS 25 2HE LYS 25 12.120 2.366 11.197 161 HZ1 LYS 25 1HZ LYS 25 11.076 3.993 13.411 162 HZ2 LYS 25 2HZ LYS 25 12.628 3.996 12.903 163 HZ3 LYS 25 3HZ LYS 25 11.444 4.531 11.913 164 H CYS 26 H CYS 26 6.445 -0.218 9.421 165 HA CYS 26 HA CYS 26 7.418 2.171 8.061 166 HB2 CYS 26 1HB CYS 26 8.393 0.180 7.171 167 HB3 CYS 26 2HB CYS 26 6.845 -0.639 7.088 168 HG CYS 26 HG CYS 26 6.864 2.258 5.686 169 H SER 27 H SER 27 5.320 3.089 9.236 170 HA SER 27 HA SER 27 3.115 2.667 7.374 171 HB2 SER 27 1HB SER 27 1.549 3.114 9.253 172 HB3 SER 27 2HB SER 27 2.528 1.691 9.545 173 HG SER 27 HG SER 27 2.298 3.903 11.086 174 H PHE 28 H PHE 28 1.675 4.627 7.125 175 HA PHE 28 HA PHE 28 2.815 7.116 8.047 176 HB2 PHE 28 1HB PHE 28 2.281 7.448 5.247 177 HB3 PHE 28 2HB PHE 28 3.854 7.509 6.019 178 HD1 PHE 28 2HD PHE 28 1.424 5.202 4.434 179 HD2 PHE 28 1HD PHE 28 5.443 5.812 5.650 180 HE1 PHE 28 2HE PHE 28 2.113 3.133 3.193 181 HE2 PHE 28 1HE PHE 28 6.133 3.742 4.409 182 HZ PHE 28 HZ PHE 28 4.460 2.427 3.195 183 HA PRO 29 HA PRO 29 -1.320 8.372 7.752 184 HB2 PRO 29 1HB PRO 29 -1.173 11.038 7.169 185 HB3 PRO 29 2HB PRO 29 -0.904 10.392 8.776 186 HG2 PRO 29 1HG PRO 29 1.077 11.400 6.828 187 HG3 PRO 29 2HG PRO 29 1.261 11.156 8.554 188 HD2 PRO 29 1HD PRO 29 2.277 9.474 6.465 189 HD3 PRO 29 2HD PRO 29 2.359 9.170 8.189 190 H VAL 30 H VAL 30 -2.631 7.442 6.309 191 HA VAL 30 HA VAL 30 -2.725 8.811 3.739 192 HB VAL 30 HB VAL 30 -2.382 6.934 2.448 193 HG11 VAL 30 1HG1 VAL 30 -0.278 7.658 3.478 194 HG12 VAL 30 2HG1 VAL 30 -0.540 6.531 4.830 195 HG13 VAL 30 3HG1 VAL 30 -0.274 5.902 3.186 196 HG21 VAL 30 1HG2 VAL 30 -2.761 5.198 4.912 197 HG22 VAL 30 2HG2 VAL 30 -3.940 5.439 3.600 198 HG23 VAL 30 3HG2 VAL 30 -2.398 4.611 3.271 199 H LYS 31 H LYS 31 -4.787 8.596 2.674 200 HA LYS 31 HA LYS 31 -6.875 7.810 4.568 201 HB2 LYS 31 1HB LYS 31 -6.919 9.665 2.170 202 HB3 LYS 31 2HB LYS 31 -8.337 9.224 3.100 203 HG2 LYS 31 1HG LYS 31 -7.471 10.258 5.106 204 HG3 LYS 31 2HG LYS 31 -5.862 10.404 4.427 205 HD2 LYS 31 1HD LYS 31 -6.767 11.996 2.693 206 HD3 LYS 31 2HD LYS 31 -8.347 11.884 3.443 207 HE2 LYS 31 1HE LYS 31 -7.433 12.791 5.569 208 HE3 LYS 31 2HE LYS 31 -5.822 12.837 4.879 209 HZ1 LYS 31 1HZ LYS 31 -6.373 14.569 3.539 210 HZ2 LYS 31 2HZ LYS 31 -7.966 14.215 3.484 211 HZ3 LYS 31 3HZ LYS 31 -7.330 14.909 4.818 212 H TYR 32 H TYR 32 -8.258 6.136 4.150 213 HA TYR 32 HA TYR 32 -7.571 4.422 1.958 214 HB2 TYR 32 1HB TYR 32 -8.258 3.762 4.343 215 HB3 TYR 32 2HB TYR 32 -9.843 4.448 4.043 216 HD1 TYR 32 2HD TYR 32 -7.911 2.458 1.570 217 HD2 TYR 32 1HD TYR 32 -11.146 2.475 4.369 218 HE1 TYR 32 2HE TYR 32 -8.713 0.221 0.667 219 HE2 TYR 32 1HE TYR 32 -11.937 0.238 3.457 220 HH TYR 32 HH TYR 32 -9.997 -1.597 1.251 221 H LEU 33 H LEU 33 -8.351 4.638 -0.075 222 HA LEU 33 HA LEU 33 -10.656 6.295 -0.521 223 HB2 LEU 33 1HB LEU 33 -8.794 4.779 -2.349 224 HB3 LEU 33 2HB LEU 33 -10.167 5.705 -2.922 225 HG LEU 33 HG LEU 33 -7.812 6.823 -1.375 226 HD11 LEU 33 1HD1 LEU 33 -7.126 7.855 -3.457 227 HD12 LEU 33 2HD1 LEU 33 -7.237 6.090 -3.661 228 HD13 LEU 33 3HD1 LEU 33 -8.520 7.143 -4.304 229 HD21 LEU 33 1HD2 LEU 33 -9.547 8.245 -0.803 230 HD22 LEU 33 2HD2 LEU 33 -8.873 9.028 -2.252 231 HD23 LEU 33 3HD2 LEU 33 -10.362 8.060 -2.375 232 H GLY 34 H GLY 34 -9.760 2.808 -0.783 233 HA2 GLY 34 1HA GLY 34 -11.808 1.490 0.050 234 HA3 GLY 34 2HA GLY 34 -12.579 2.184 -1.363 235 H HIS 35 H HIS 35 -12.876 0.048 -2.284 236 HA HIS 35 HA HIS 35 -10.448 -0.866 -3.598 237 HB2 HIS 35 1HB HIS 35 -11.361 -3.264 -3.162 238 HB3 HIS 35 2HB HIS 35 -10.396 -2.456 -1.943 239 HD1 HIS 35 1HD HIS 35 -11.344 -3.289 0.227 240 HD2 HIS 35 2HD HIS 35 -14.332 -2.080 -2.457 241 HE1 HIS 35 1HE HIS 35 -13.551 -3.439 1.499 242 H VAL 36 H VAL 36 -10.776 -1.411 -5.738 243 HA VAL 36 HA VAL 36 -13.578 -1.593 -6.594 244 HB VAL 36 HB VAL 36 -13.059 -0.273 -8.537 245 HG11 VAL 36 1HG1 VAL 36 -13.520 1.602 -7.413 246 HG12 VAL 36 2HG1 VAL 36 -13.188 0.706 -5.911 247 HG13 VAL 36 3HG1 VAL 36 -11.893 1.643 -6.693 248 HG21 VAL 36 1HG2 VAL 36 -10.306 -0.787 -7.739 249 HG22 VAL 36 2HG2 VAL 36 -10.960 -0.257 -9.308 250 HG23 VAL 36 3HG2 VAL 36 -10.592 0.943 -8.046 251 H GLU 37 H GLU 37 -13.751 -2.666 -8.819 252 HA GLU 37 HA GLU 37 -11.931 -4.913 -8.771 253 HB2 GLU 37 1HB GLU 37 -14.745 -4.544 -9.349 254 HB3 GLU 37 2HB GLU 37 -13.972 -5.258 -10.751 255 HG2 GLU 37 1HG GLU 37 -13.679 -7.257 -9.699 256 HG3 GLU 37 2HG GLU 37 -13.002 -6.498 -8.273 257 H VAL 38 H VAL 38 -10.624 -5.516 -10.545 258 HA VAL 38 HA VAL 38 -10.457 -3.463 -12.638 259 HB VAL 38 HB VAL 38 -8.121 -4.192 -12.875 260 HG11 VAL 38 1HG1 VAL 38 -7.990 -2.366 -11.555 261 HG12 VAL 38 2HG1 VAL 38 -9.254 -2.950 -10.446 262 HG13 VAL 38 3HG1 VAL 38 -7.582 -3.536 -10.277 263 HG21 VAL 38 1HG2 VAL 38 -7.488 -6.182 -12.090 264 HG22 VAL 38 2HG2 VAL 38 -7.631 -5.530 -10.440 265 HG23 VAL 38 3HG2 VAL 38 -9.013 -6.364 -11.190 266 H ASP 39 H ASP 39 -8.888 -4.934 -14.473 267 HA ASP 39 HA ASP 39 -10.543 -7.255 -15.017 268 HB2 ASP 39 1HB ASP 39 -11.040 -4.926 -16.320 269 HB3 ASP 39 2HB ASP 39 -9.727 -5.505 -17.327 270 H GLU 40 H GLU 40 -7.687 -5.190 -15.883 271 HA GLU 40 HA GLU 40 -6.378 -7.340 -17.193 272 HB2 GLU 40 1HB GLU 40 -5.165 -4.707 -16.258 273 HB3 GLU 40 2HB GLU 40 -4.555 -5.760 -17.519 274 HG2 GLU 40 1HG GLU 40 -7.378 -4.740 -17.796 275 HG3 GLU 40 2HG GLU 40 -6.074 -3.603 -18.073 276 H SER 41 H SER 41 -6.156 -5.670 -14.004 277 HA SER 41 HA SER 41 -5.529 -6.540 -12.073 278 HB2 SER 41 1HB SER 41 -4.017 -8.848 -13.297 279 HB3 SER 41 2HB SER 41 -4.857 -8.772 -11.761 280 HG SER 41 HG SER 41 -6.864 -8.919 -12.820 281 H ARG 42 H ARG 42 -3.746 -5.506 -14.693 282 HA ARG 42 HA ARG 42 -1.625 -4.698 -13.005 283 HB2 ARG 42 1HB ARG 42 0.203 -5.680 -14.442 284 HB3 ARG 42 2HB ARG 42 -0.723 -6.900 -13.590 285 HG2 ARG 42 1HG ARG 42 -2.026 -6.359 -16.123 286 HG3 ARG 42 2HG ARG 42 -0.323 -6.642 -16.423 287 HD2 ARG 42 1HD ARG 42 -0.913 -8.645 -14.582 288 HD3 ARG 42 2HD ARG 42 -2.412 -8.535 -15.483 289 HE ARG 42 HE ARG 42 -1.330 -9.498 -17.311 290 HH11 ARG 42 2HH2 ARG 42 1.094 -8.080 -15.190 291 HH12 ARG 42 1HH2 ARG 42 2.434 -8.681 -16.109 292 HH21 ARG 42 2HH1 ARG 42 0.438 -10.291 -18.523 293 HH22 ARG 42 1HH1 ARG 42 2.058 -9.946 -18.017 294 H GLY 43 H GLY 43 -0.915 -2.682 -13.723 295 HA2 GLY 43 1HA GLY 43 -0.326 -1.776 -16.168 296 HA3 GLY 43 2HA GLY 43 -2.075 -1.668 -16.185 297 H MET 44 H MET 44 0.531 0.221 -15.789 298 HA MET 44 HA MET 44 0.243 1.456 -13.356 299 HB2 MET 44 1HB MET 44 1.008 2.714 -16.051 300 HB3 MET 44 2HB MET 44 1.437 3.356 -14.478 301 HG2 MET 44 1HG MET 44 3.161 1.867 -14.202 302 HG3 MET 44 2HG MET 44 2.224 0.518 -14.813 303 HE1 MET 44 1HE MET 44 2.376 -0.463 -16.976 304 HE2 MET 44 2HE MET 44 1.409 0.851 -17.687 305 HE3 MET 44 3HE MET 44 2.909 0.319 -18.483 306 H HIS 45 H HIS 45 -1.663 1.745 -16.340 307 HA HIS 45 HA HIS 45 -2.941 4.160 -15.478 308 HB2 HIS 45 1HB HIS 45 -4.327 3.824 -17.505 309 HB3 HIS 45 2HB HIS 45 -2.605 3.855 -17.824 310 HD1 HIS 45 1HD HIS 45 -1.455 1.567 -18.497 311 HD2 HIS 45 2HD HIS 45 -5.630 1.416 -18.121 312 HE1 HIS 45 1HE HIS 45 -2.193 -0.613 -19.598 313 H ILE 46 H ILE 46 -3.178 0.828 -14.722 314 HA ILE 46 HA ILE 46 -6.006 0.737 -14.365 315 HB ILE 46 HB ILE 46 -3.874 -1.071 -13.226 316 HG12 ILE 46 1HG1 ILE 46 -3.903 -0.620 -15.804 317 HG13 ILE 46 2HG1 ILE 46 -3.753 -2.254 -15.189 318 HG21 ILE 46 1HG2 ILE 46 -5.677 -2.751 -13.235 319 HG22 ILE 46 2HG2 ILE 46 -6.042 -1.367 -12.178 320 HG23 ILE 46 3HG2 ILE 46 -6.825 -1.501 -13.771 321 HD11 ILE 46 1HD1 ILE 46 -6.501 -1.108 -15.752 322 HD12 ILE 46 2HD1 ILE 46 -5.511 -1.766 -17.076 323 HD13 ILE 46 3HD1 ILE 46 -5.987 -2.811 -15.716 324 H CYS 47 H CYS 47 -3.298 0.519 -11.947 325 HA CYS 47 HA CYS 47 -4.717 0.889 -9.711 326 HB2 CYS 47 1HB CYS 47 -2.725 1.634 -8.640 327 HB3 CYS 47 2HB CYS 47 -2.235 0.513 -9.895 328 HG CYS 47 HG CYS 47 -0.643 2.705 -9.592 329 H GLU 48 H GLU 48 -3.649 3.380 -12.089 330 HA GLU 48 HA GLU 48 -4.551 5.544 -10.547 331 HB2 GLU 48 1HB GLU 48 -3.536 5.106 -13.325 332 HB3 GLU 48 2HB GLU 48 -4.519 6.538 -13.093 333 HG2 GLU 48 1HG GLU 48 -3.005 7.514 -11.585 334 HG3 GLU 48 2HG GLU 48 -2.355 5.971 -11.068 335 H ASP 49 H ASP 49 -5.972 3.556 -13.198 336 HA ASP 49 HA ASP 49 -8.198 5.097 -13.635 337 HB2 ASP 49 1HB ASP 49 -7.299 2.351 -14.179 338 HB3 ASP 49 2HB ASP 49 -9.029 2.405 -13.908 339 H ALA 50 H ALA 50 -7.343 2.754 -11.085 340 HA ALA 50 HA ALA 50 -9.895 2.179 -10.125 341 HB1 ALA 50 1HB ALA 50 -7.918 0.894 -9.510 342 HB2 ALA 50 2HB ALA 50 -7.189 2.321 -8.736 343 HB3 ALA 50 3HB ALA 50 -8.648 1.578 -8.039 344 H VAL 51 H VAL 51 -7.495 4.718 -9.128 345 HA VAL 51 HA VAL 51 -8.922 5.870 -7.116 346 HB VAL 51 HB VAL 51 -7.264 7.283 -9.214 347 HG11 VAL 51 1HG1 VAL 51 -8.446 8.860 -7.806 348 HG12 VAL 51 2HG1 VAL 51 -7.929 7.995 -6.338 349 HG13 VAL 51 3HG1 VAL 51 -6.727 8.839 -7.344 350 HG21 VAL 51 1HG2 VAL 51 -5.721 5.750 -8.542 351 HG22 VAL 51 2HG2 VAL 51 -5.536 6.893 -7.190 352 HG23 VAL 51 3HG2 VAL 51 -6.540 5.437 -6.993 353 H LYS 52 H LYS 52 -8.997 6.879 -10.613 354 HA LYS 52 HA LYS 52 -10.934 8.767 -10.441 355 HB2 LYS 52 1HB LYS 52 -10.292 6.772 -12.619 356 HB3 LYS 52 2HB LYS 52 -11.499 8.024 -12.831 357 HG2 LYS 52 1HG LYS 52 -9.796 9.400 -13.440 358 HG3 LYS 52 2HG LYS 52 -9.337 9.434 -11.749 359 HD2 LYS 52 1HD LYS 52 -7.438 8.265 -12.170 360 HD3 LYS 52 2HD LYS 52 -8.338 6.985 -12.959 361 HE2 LYS 52 1HE LYS 52 -8.410 9.090 -14.829 362 HE3 LYS 52 2HE LYS 52 -6.795 9.193 -14.157 363 HZ1 LYS 52 1HZ LYS 52 -6.675 6.741 -14.559 364 HZ2 LYS 52 2HZ LYS 52 -8.040 6.877 -15.445 365 HZ3 LYS 52 3HZ LYS 52 -6.690 7.675 -15.899 366 H ARG 53 H ARG 53 -11.449 5.207 -10.942 367 HA ARG 53 HA ARG 53 -14.104 5.174 -11.133 368 HB2 ARG 53 1HB ARG 53 -12.241 3.250 -10.907 369 HB3 ARG 53 2HB ARG 53 -12.825 3.172 -9.256 370 HG2 ARG 53 1HG ARG 53 -15.060 2.616 -9.953 371 HG3 ARG 53 2HG ARG 53 -14.753 3.097 -11.609 372 HD2 ARG 53 1HD ARG 53 -13.053 0.894 -10.431 373 HD3 ARG 53 2HD ARG 53 -14.704 0.514 -10.877 374 HE ARG 53 HE ARG 53 -14.190 0.958 -13.175 375 HH11 ARG 53 2HH2 ARG 53 -11.426 1.505 -11.068 376 HH12 ARG 53 1HH2 ARG 53 -10.278 1.523 -12.365 377 HH21 ARG 53 2HH1 ARG 53 -12.677 0.981 -14.887 378 HH22 ARG 53 1HH1 ARG 53 -10.995 1.222 -14.552 379 H LEU 54 H LEU 54 -12.160 5.333 -8.080 380 HA LEU 54 HA LEU 54 -14.479 5.352 -6.422 381 HB2 LEU 54 1HB LEU 54 -11.632 6.106 -5.754 382 HB3 LEU 54 2HB LEU 54 -12.912 5.723 -4.620 383 HG LEU 54 HG LEU 54 -11.962 3.716 -6.667 384 HD11 LEU 54 1HD1 LEU 54 -10.405 2.807 -5.073 385 HD12 LEU 54 2HD1 LEU 54 -10.019 4.523 -5.346 386 HD13 LEU 54 3HD1 LEU 54 -10.865 4.026 -3.860 387 HD21 LEU 54 1HD2 LEU 54 -13.700 3.666 -4.235 388 HD22 LEU 54 2HD2 LEU 54 -13.899 2.857 -5.808 389 HD23 LEU 54 3HD2 LEU 54 -12.731 2.224 -4.624 390 H LYS 55 H LYS 55 -12.577 7.723 -8.205 391 HA LYS 55 HA LYS 55 -13.468 9.948 -6.655 392 HB2 LYS 55 1HB LYS 55 -11.529 9.435 -8.670 393 HB3 LYS 55 2HB LYS 55 -12.592 10.681 -9.294 394 HG2 LYS 55 1HG LYS 55 -11.890 12.233 -7.759 395 HG3 LYS 55 2HG LYS 55 -11.884 11.077 -6.442 396 HD2 LYS 55 1HD LYS 55 -9.776 10.518 -8.435 397 HD3 LYS 55 2HD LYS 55 -9.621 12.117 -7.735 398 HE2 LYS 55 1HE LYS 55 -8.392 10.325 -6.442 399 HE3 LYS 55 2HE LYS 55 -9.550 11.216 -5.474 400 HZ1 LYS 55 1HZ LYS 55 -9.755 8.864 -5.132 401 HZ2 LYS 55 2HZ LYS 55 -11.122 9.430 -5.822 402 HZ3 LYS 55 3HZ LYS 55 -10.039 8.599 -6.718 403 H ALA 56 H ALA 56 -14.876 7.874 -9.027 404 HA ALA 56 HA ALA 56 -16.857 9.940 -9.686 405 HB1 ALA 56 1HB ALA 56 -16.369 9.232 -11.778 406 HB2 ALA 56 2HB ALA 56 -15.531 7.779 -11.182 407 HB3 ALA 56 3HB ALA 56 -17.302 7.775 -11.362 408 H THR 57 H THR 57 -16.201 7.179 -7.749 409 HA THR 57 HA THR 57 -18.805 6.029 -7.778 410 HB THR 57 HB THR 57 -16.347 5.182 -7.011 411 HG1 THR 57 1HG THR 57 -18.969 4.634 -5.810 412 HG21 THR 57 1HG2 THR 57 -16.466 6.814 -4.979 413 HG22 THR 57 2HG2 THR 57 -17.758 5.754 -4.367 414 HG23 THR 57 3HG2 THR 57 -16.120 5.106 -4.616 415 H GLY 58 H GLY 58 -17.460 8.906 -6.379 416 HA2 GLY 58 1HA GLY 58 -18.419 10.505 -5.120 417 HA3 GLY 58 2HA GLY 58 -19.963 9.707 -5.344 418 H LYS 59 H LYS 59 -16.826 9.179 -3.573 419 HA LYS 59 HA LYS 59 -18.446 8.474 -1.233 420 HB2 LYS 59 1HB LYS 59 -17.204 6.557 -2.635 421 HB3 LYS 59 2HB LYS 59 -15.846 7.071 -1.655 422 HG2 LYS 59 1HG LYS 59 -16.743 6.210 0.270 423 HG3 LYS 59 2HG LYS 59 -18.351 6.801 -0.098 424 HD2 LYS 59 1HD LYS 59 -18.746 4.527 -0.319 425 HD3 LYS 59 2HD LYS 59 -18.273 4.880 -1.969 426 HE2 LYS 59 1HE LYS 59 -16.995 2.948 -1.319 427 HE3 LYS 59 2HE LYS 59 -15.868 4.290 -1.311 428 HZ1 LYS 59 1HZ LYS 59 -17.248 3.222 1.055 429 HZ2 LYS 59 2HZ LYS 59 -15.679 2.976 0.674 430 HZ3 LYS 59 3HZ LYS 59 -16.199 4.474 1.063 431 H LYS 60 H LYS 60 -15.689 7.962 0.092 432 HA LYS 60 HA LYS 60 -14.434 10.528 0.023 433 HB2 LYS 60 1HB LYS 60 -14.961 11.261 2.243 434 HB3 LYS 60 2HB LYS 60 -16.462 11.017 1.373 435 HG2 LYS 60 1HG LYS 60 -17.035 9.099 2.597 436 HG3 LYS 60 2HG LYS 60 -15.367 8.693 2.953 437 HD2 LYS 60 1HD LYS 60 -15.199 10.490 4.598 438 HD3 LYS 60 2HD LYS 60 -16.750 11.150 4.121 439 HE2 LYS 60 1HE LYS 60 -17.920 9.147 4.950 440 HE3 LYS 60 2HE LYS 60 -16.397 8.348 5.286 441 HZ1 LYS 60 1HZ LYS 60 -16.602 9.253 7.278 442 HZ2 LYS 60 2HZ LYS 60 -16.191 10.685 6.608 443 HZ3 LYS 60 3HZ LYS 60 -17.765 10.303 6.818 444 H ALA 61 H ALA 61 -12.514 10.571 1.500 445 HA ALA 61 HA ALA 61 -11.488 7.846 1.740 446 HB1 ALA 61 1HB ALA 61 -10.416 9.992 0.513 447 HB2 ALA 61 2HB ALA 61 -9.764 10.254 2.149 448 HB3 ALA 61 3HB ALA 61 -9.421 8.735 1.287 449 H VAL 62 H VAL 62 -11.067 6.913 3.703 450 HA VAL 62 HA VAL 62 -11.867 8.433 6.033 451 HB VAL 62 HB VAL 62 -11.258 5.548 5.440 452 HG11 VAL 62 1HG1 VAL 62 -10.295 5.654 7.556 453 HG12 VAL 62 2HG1 VAL 62 -11.424 6.909 8.122 454 HG13 VAL 62 3HG1 VAL 62 -11.984 5.230 7.925 455 HG21 VAL 62 1HG2 VAL 62 -13.563 6.989 5.197 456 HG22 VAL 62 2HG2 VAL 62 -13.494 5.233 5.484 457 HG23 VAL 62 3HG2 VAL 62 -13.730 6.350 6.850 458 H LYS 63 H LYS 63 -10.513 8.774 7.882 459 HA LYS 63 HA LYS 63 -7.732 9.066 7.126 460 HB2 LYS 63 1HB LYS 63 -9.473 10.128 9.340 461 HB3 LYS 63 2HB LYS 63 -7.728 10.184 9.489 462 HG2 LYS 63 1HG LYS 63 -8.390 11.081 6.833 463 HG3 LYS 63 2HG LYS 63 -9.457 11.915 7.946 464 HD2 LYS 63 1HD LYS 63 -7.514 13.296 7.827 465 HD3 LYS 63 2HD LYS 63 -7.363 12.452 9.356 466 HE2 LYS 63 1HE LYS 63 -6.096 10.669 7.681 467 HE3 LYS 63 2HE LYS 63 -5.730 12.178 6.868 468 HZ1 LYS 63 1HZ LYS 63 -4.091 11.680 8.519 469 HZ2 LYS 63 2HZ LYS 63 -4.899 13.026 8.968 470 HZ3 LYS 63 3HZ LYS 63 -5.213 11.601 9.703 471 H ALA 64 H ALA 64 -6.454 7.303 7.328 472 HA ALA 64 HA ALA 64 -6.455 5.966 9.903 473 HB1 ALA 64 1HB ALA 64 -6.258 3.861 8.047 474 HB2 ALA 64 2HB ALA 64 -7.620 4.197 9.143 475 HB3 ALA 64 3HB ALA 64 -7.632 4.843 7.485 476 H VAL 65 H VAL 65 -4.511 4.354 9.941 477 HA VAL 65 HA VAL 65 -2.319 5.692 8.527 478 HB VAL 65 HB VAL 65 -2.434 4.095 11.089 479 HG11 VAL 65 1HG1 VAL 65 -0.314 3.508 10.614 480 HG12 VAL 65 2HG1 VAL 65 -0.169 4.711 9.310 481 HG13 VAL 65 3HG1 VAL 65 0.080 5.199 11.003 482 HG21 VAL 65 1HG2 VAL 65 -1.389 6.896 10.884 483 HG22 VAL 65 2HG2 VAL 65 -3.150 6.636 10.838 484 HG23 VAL 65 3HG2 VAL 65 -2.203 6.074 12.237 485 H LEU 66 H LEU 66 -1.389 4.639 6.853 486 HA LEU 66 HA LEU 66 -2.112 1.870 6.438 487 HB2 LEU 66 1HB LEU 66 -2.317 2.936 4.458 488 HB3 LEU 66 2HB LEU 66 -1.070 4.114 4.818 489 HG LEU 66 HG LEU 66 0.670 2.431 4.351 490 HD11 LEU 66 1HD1 LEU 66 0.274 0.247 3.700 491 HD12 LEU 66 2HD1 LEU 66 -0.953 0.495 4.965 492 HD13 LEU 66 3HD1 LEU 66 -1.417 0.572 3.249 493 HD21 LEU 66 1HD2 LEU 66 0.394 2.355 1.931 494 HD22 LEU 66 2HD2 LEU 66 -1.337 2.735 2.100 495 HD23 LEU 66 3HD2 LEU 66 -0.111 3.935 2.577 496 H TRP 67 H TRP 67 -0.851 0.148 6.928 497 HA TRP 67 HA TRP 67 1.897 0.761 7.767 498 HB2 TRP 67 1HB TRP 67 0.077 -1.513 8.578 499 HB3 TRP 67 2HB TRP 67 1.744 -1.321 9.083 500 HD1 TRP 67 HD TRP 67 -1.654 0.546 9.480 501 HE1 TRP 67 1HE TRP 67 -1.707 1.914 11.736 502 HE3 TRP 67 3HE TRP 67 3.164 -0.419 10.788 503 HZ2 TRP 67 2HZ TRP 67 0.229 2.427 13.769 504 HZ3 TRP 67 3HZ TRP 67 4.004 0.554 12.924 505 HH2 TRP 67 HH TRP 67 2.622 1.933 14.394 506 H VAL 68 H VAL 68 3.606 -0.481 6.871 507 HA VAL 68 HA VAL 68 2.797 -2.340 4.748 508 HB VAL 68 HB VAL 68 5.198 -0.558 4.500 509 HG11 VAL 68 1HG1 VAL 68 3.377 -1.723 2.374 510 HG12 VAL 68 2HG1 VAL 68 4.988 -1.000 2.158 511 HG13 VAL 68 3HG1 VAL 68 4.818 -2.557 3.004 512 HG21 VAL 68 1HG2 VAL 68 2.342 0.236 4.246 513 HG22 VAL 68 2HG2 VAL 68 3.778 1.213 4.633 514 HG23 VAL 68 3HG2 VAL 68 3.437 0.762 2.945 515 H SER 69 H SER 69 3.569 -4.343 5.144 516 HA SER 69 HA SER 69 6.193 -4.525 6.344 517 HB2 SER 69 1HB SER 69 3.688 -5.862 7.449 518 HB3 SER 69 2HB SER 69 5.308 -6.383 7.868 519 HG SER 69 HG SER 69 3.859 -4.270 8.862 520 H ALA 70 H ALA 70 6.989 -6.920 6.231 521 HA ALA 70 HA ALA 70 6.836 -7.794 3.614 522 HB1 ALA 70 1HB ALA 70 7.456 -9.620 5.944 523 HB2 ALA 70 2HB ALA 70 8.219 -9.553 4.337 524 HB3 ALA 70 3HB ALA 70 8.539 -8.270 5.529 525 H ASP 71 H ASP 71 4.687 -8.312 6.359 526 HA ASP 71 HA ASP 71 3.521 -10.660 5.332 527 HB2 ASP 71 1HB ASP 71 3.080 -8.764 7.575 528 HB3 ASP 71 2HB ASP 71 1.598 -9.477 6.970 529 H GLY 72 H GLY 72 3.477 -7.382 4.381 530 HA2 GLY 72 1HA GLY 72 2.203 -7.050 2.284 531 HA3 GLY 72 2HA GLY 72 0.800 -7.648 3.147 532 H LEU 73 H LEU 73 -0.575 -6.013 3.681 533 HA LEU 73 HA LEU 73 0.632 -3.600 4.821 534 HB2 LEU 73 1HB LEU 73 -1.790 -3.314 3.121 535 HB3 LEU 73 2HB LEU 73 -0.516 -2.164 3.476 536 HG LEU 73 HG LEU 73 -0.023 -4.579 1.732 537 HD11 LEU 73 1HD1 LEU 73 -1.203 -1.911 0.951 538 HD12 LEU 73 2HD1 LEU 73 -0.346 -2.960 -0.204 539 HD13 LEU 73 3HD1 LEU 73 -1.817 -3.546 0.608 540 HD21 LEU 73 1HD2 LEU 73 2.028 -3.760 1.438 541 HD22 LEU 73 2HD2 LEU 73 1.420 -2.112 1.152 542 HD23 LEU 73 3HD2 LEU 73 1.687 -2.687 2.816 543 H ARG 74 H ARG 74 -1.262 -2.242 5.900 544 HA ARG 74 HA ARG 74 -3.383 -3.878 6.845 545 HB2 ARG 74 1HB ARG 74 -1.035 -3.139 8.623 546 HB3 ARG 74 2HB ARG 74 -2.633 -3.280 9.327 547 HG2 ARG 74 1HG ARG 74 -2.492 -5.587 7.781 548 HG3 ARG 74 2HG ARG 74 -0.827 -5.404 8.300 549 HD2 ARG 74 1HD ARG 74 -1.783 -5.059 10.698 550 HD3 ARG 74 2HD ARG 74 -3.305 -5.645 10.058 551 HE ARG 74 HE ARG 74 -2.415 -7.812 9.968 552 HH11 ARG 74 2HH2 ARG 74 0.207 -5.493 10.329 553 HH12 ARG 74 1HH2 ARG 74 1.417 -6.707 10.582 554 HH21 ARG 74 2HH1 ARG 74 -0.820 -9.414 10.301 555 HH22 ARG 74 1HH1 ARG 74 0.828 -8.952 10.566 556 H VAL 75 H VAL 75 -4.995 -2.373 6.457 557 HA VAL 75 HA VAL 75 -4.456 0.426 6.831 558 HB VAL 75 HB VAL 75 -6.961 -1.081 6.055 559 HG11 VAL 75 1HG1 VAL 75 -7.741 1.106 5.186 560 HG12 VAL 75 2HG1 VAL 75 -7.520 1.111 6.953 561 HG13 VAL 75 3HG1 VAL 75 -6.307 1.881 5.903 562 HG21 VAL 75 1HG2 VAL 75 -4.613 -0.048 4.515 563 HG22 VAL 75 2HG2 VAL 75 -5.592 -1.513 4.266 564 HG23 VAL 75 3HG2 VAL 75 -6.227 0.075 3.775 565 H VAL 76 H VAL 76 -4.046 0.706 9.061 566 HA VAL 76 HA VAL 76 -5.929 -0.315 10.969 567 HB VAL 76 HB VAL 76 -3.386 1.253 11.003 568 HG11 VAL 76 1HG1 VAL 76 -3.748 1.316 13.588 569 HG12 VAL 76 2HG1 VAL 76 -4.464 2.590 12.571 570 HG13 VAL 76 3HG1 VAL 76 -5.477 1.255 13.170 571 HG21 VAL 76 1HG2 VAL 76 -2.531 -0.558 12.190 572 HG22 VAL 76 2HG2 VAL 76 -4.132 -1.058 12.785 573 HG23 VAL 76 3HG2 VAL 76 -3.689 -1.336 11.084 574 H ASP 77 H ASP 77 -7.237 1.028 12.405 575 HA ASP 77 HA ASP 77 -8.187 3.349 10.955 576 HB2 ASP 77 1HB ASP 77 -9.680 1.372 11.810 577 HB3 ASP 77 2HB ASP 77 -9.477 2.081 13.400 578 H GLU 78 H GLU 78 -7.043 5.185 11.655 579 HA GLU 78 HA GLU 78 -5.607 5.528 13.844 580 HB2 GLU 78 1HB GLU 78 -7.333 7.478 12.300 581 HB3 GLU 78 2HB GLU 78 -6.409 8.038 13.680 582 HG2 GLU 78 1HG GLU 78 -4.583 6.452 12.211 583 HG3 GLU 78 2HG GLU 78 -5.478 7.331 10.987 584 H LYS 79 H LYS 79 -9.144 5.441 13.681 585 HA LYS 79 HA LYS 79 -9.943 6.754 15.890 586 HB2 LYS 79 1HB LYS 79 -11.251 5.328 14.166 587 HB3 LYS 79 2HB LYS 79 -10.990 3.993 15.271 588 HG2 LYS 79 1HG LYS 79 -11.961 6.521 16.538 589 HG3 LYS 79 2HG LYS 79 -13.097 5.750 15.449 590 HD2 LYS 79 1HD LYS 79 -13.307 3.841 16.778 591 HD3 LYS 79 2HD LYS 79 -11.681 3.971 17.418 592 HE2 LYS 79 1HE LYS 79 -13.874 5.969 18.127 593 HE3 LYS 79 2HE LYS 79 -13.606 4.505 19.053 594 HZ1 LYS 79 1HZ LYS 79 -11.357 6.273 18.505 595 HZ2 LYS 79 2HZ LYS 79 -12.403 6.653 19.701 596 HZ3 LYS 79 3HZ LYS 79 -11.577 5.245 19.755 597 H THR 80 H THR 80 -9.411 3.174 16.089 598 HA THR 80 HA THR 80 -8.188 3.661 18.726 599 HB THR 80 HB THR 80 -10.576 2.658 18.639 600 HG1 THR 80 1HG THR 80 -8.208 1.252 19.647 601 HG21 THR 80 1HG2 THR 80 -10.495 1.037 16.864 602 HG22 THR 80 2HG2 THR 80 -8.915 0.418 17.402 603 HG23 THR 80 3HG2 THR 80 -10.378 0.071 18.355 604 H LYS 81 H LYS 81 -7.150 3.298 15.801 605 HA LYS 81 HA LYS 81 -5.313 2.442 14.920 606 HB2 LYS 81 1HB LYS 81 -4.863 1.908 17.809 607 HB3 LYS 81 2HB LYS 81 -3.891 0.971 16.693 608 HG2 LYS 81 1HG LYS 81 -4.167 4.010 16.562 609 HG3 LYS 81 2HG LYS 81 -2.856 3.187 17.384 610 HD2 LYS 81 1HD LYS 81 -2.541 1.937 15.064 611 HD3 LYS 81 2HD LYS 81 -3.463 3.279 14.415 612 HE2 LYS 81 1HE LYS 81 -1.135 3.896 14.237 613 HE3 LYS 81 2HE LYS 81 -1.808 4.866 15.531 614 HZ1 LYS 81 1HZ LYS 81 -0.977 2.604 16.759 615 HZ2 LYS 81 2HZ LYS 81 0.198 2.879 15.659 616 HZ3 LYS 81 3HZ LYS 81 -0.186 4.033 16.749 617 H ASP 82 H ASP 82 -8.013 0.851 15.739 618 HA ASP 82 HA ASP 82 -7.430 -1.805 15.722 619 HB2 ASP 82 1HB ASP 82 -9.721 -0.191 15.538 620 HB3 ASP 82 2HB ASP 82 -9.764 -1.109 14.046 621 H LEU 83 H LEU 83 -8.586 -3.086 13.526 622 HA LEU 83 HA LEU 83 -6.863 -2.211 11.314 623 HB2 LEU 83 1HB LEU 83 -6.235 -4.342 12.371 624 HB3 LEU 83 2HB LEU 83 -7.826 -4.987 12.019 625 HG LEU 83 HG LEU 83 -7.421 -4.977 9.665 626 HD11 LEU 83 1HD1 LEU 83 -5.022 -4.220 8.909 627 HD12 LEU 83 2HD1 LEU 83 -6.342 -3.038 9.081 628 HD13 LEU 83 3HD1 LEU 83 -5.117 -3.196 10.363 629 HD21 LEU 83 1HD2 LEU 83 -5.289 -6.354 9.525 630 HD22 LEU 83 2HD2 LEU 83 -5.102 -6.059 11.270 631 HD23 LEU 83 3HD2 LEU 83 -6.536 -6.921 10.662 632 H ILE 84 H ILE 84 -7.851 -1.498 9.501 633 HA ILE 84 HA ILE 84 -10.737 -1.800 9.375 634 HB ILE 84 HB ILE 84 -8.895 -0.169 7.627 635 HG12 ILE 84 1HG1 ILE 84 -10.449 0.807 10.036 636 HG13 ILE 84 2HG1 ILE 84 -8.755 0.365 10.102 637 HG21 ILE 84 1HG2 ILE 84 -10.721 0.706 6.628 638 HG22 ILE 84 2HG2 ILE 84 -11.451 -0.846 7.106 639 HG23 ILE 84 3HG2 ILE 84 -11.717 0.606 8.100 640 HD11 ILE 84 1HD1 ILE 84 -8.073 2.195 8.847 641 HD12 ILE 84 2HD1 ILE 84 -9.588 2.252 7.914 642 HD13 ILE 84 3HD1 ILE 84 -9.543 2.883 9.578 643 H VAL 85 H VAL 85 -7.745 -2.573 7.515 644 HA VAL 85 HA VAL 85 -9.260 -4.688 6.205 645 HB VAL 85 HB VAL 85 -7.742 -2.484 4.809 646 HG11 VAL 85 1HG1 VAL 85 -8.087 -3.763 2.713 647 HG12 VAL 85 2HG1 VAL 85 -7.001 -4.595 3.851 648 HG13 VAL 85 3HG1 VAL 85 -8.686 -5.138 3.672 649 HG21 VAL 85 1HG2 VAL 85 -9.859 -2.303 3.500 650 HG22 VAL 85 2HG2 VAL 85 -10.589 -3.516 4.579 651 HG23 VAL 85 3HG2 VAL 85 -10.062 -1.946 5.232 652 H ASP 86 H ASP 86 -7.822 -6.364 5.278 653 HA ASP 86 HA ASP 86 -5.151 -6.199 6.425 654 HB2 ASP 86 1HB ASP 86 -6.184 -7.718 7.903 655 HB3 ASP 86 2HB ASP 86 -7.240 -8.366 6.663 656 H GLN 87 H GLN 87 -3.826 -6.150 4.593 657 HA GLN 87 HA GLN 87 -4.588 -7.945 2.422 658 HB2 GLN 87 1HB GLN 87 -4.694 -5.476 1.891 659 HB3 GLN 87 2HB GLN 87 -2.974 -5.367 2.208 660 HG2 GLN 87 1HG GLN 87 -3.312 -5.626 -0.200 661 HG3 GLN 87 2HG GLN 87 -2.545 -7.075 0.419 662 HE21 GLN 87 1HE2 GLN 87 -3.340 -8.094 -1.492 663 HE22 GLN 87 2HE2 GLN 87 -4.962 -8.696 -1.578 664 H THR 88 H THR 88 -2.839 -9.080 1.307 665 HA THR 88 HA THR 88 -0.383 -9.213 2.931 666 HB THR 88 HB THR 88 -1.541 -11.267 3.315 667 HG1 THR 88 1HG THR 88 0.656 -11.495 2.389 668 HG21 THR 88 1HG2 THR 88 -2.141 -12.520 0.946 669 HG22 THR 88 2HG2 THR 88 -3.340 -11.601 1.888 670 HG23 THR 88 3HG2 THR 88 -2.510 -10.834 0.513 671 H ILE 89 H ILE 89 1.584 -9.167 1.913 672 HA ILE 89 HA ILE 89 1.745 -7.873 -0.513 673 HB ILE 89 HB ILE 89 3.451 -8.342 1.434 674 HG12 ILE 89 1HG1 ILE 89 5.293 -7.666 -0.145 675 HG13 ILE 89 2HG1 ILE 89 4.172 -7.886 -1.473 676 HG21 ILE 89 1HG2 ILE 89 4.371 -10.364 -0.623 677 HG22 ILE 89 2HG2 ILE 89 5.145 -9.953 0.926 678 HG23 ILE 89 3HG2 ILE 89 3.571 -10.785 0.910 679 HD11 ILE 89 1HD1 ILE 89 4.456 -5.600 0.231 680 HD12 ILE 89 2HD1 ILE 89 3.303 -5.831 -1.105 681 HD13 ILE 89 3HD1 ILE 89 2.852 -6.304 0.551 682 H GLU 90 H GLU 90 1.251 -11.282 0.240 683 HA GLU 90 HA GLU 90 2.208 -12.411 -2.062 684 HB2 GLU 90 1HB GLU 90 -0.201 -13.202 -0.369 685 HB3 GLU 90 2HB GLU 90 0.521 -14.234 -1.587 686 HG2 GLU 90 1HG GLU 90 1.841 -13.191 0.957 687 HG3 GLU 90 2HG GLU 90 1.453 -14.857 0.574 688 H LYS 91 H LYS 91 -1.290 -11.649 -1.382 689 HA LYS 91 HA LYS 91 -2.238 -12.054 -3.901 690 HB2 LYS 91 1HB LYS 91 -3.142 -9.995 -1.866 691 HB3 LYS 91 2HB LYS 91 -4.077 -10.518 -3.252 692 HG2 LYS 91 1HG LYS 91 -3.266 -12.130 -0.811 693 HG3 LYS 91 2HG LYS 91 -4.875 -11.865 -1.454 694 HD2 LYS 91 1HD LYS 91 -3.986 -13.129 -3.587 695 HD3 LYS 91 2HD LYS 91 -2.691 -13.675 -2.540 696 HE2 LYS 91 1HE LYS 91 -5.257 -13.994 -1.183 697 HE3 LYS 91 2HE LYS 91 -5.319 -14.764 -2.756 698 HZ1 LYS 91 1HZ LYS 91 -3.111 -15.761 -2.105 699 HZ2 LYS 91 2HZ LYS 91 -3.443 -15.290 -0.577 700 HZ3 LYS 91 3HZ LYS 91 -4.433 -16.341 -1.341 701 H VAL 92 H VAL 92 -0.932 -8.961 -2.525 702 HA VAL 92 HA VAL 92 -1.291 -7.367 -4.709 703 HB VAL 92 HB VAL 92 0.970 -7.468 -2.705 704 HG11 VAL 92 1HG1 VAL 92 0.935 -6.003 -5.078 705 HG12 VAL 92 2HG1 VAL 92 0.387 -4.846 -3.841 706 HG13 VAL 92 3HG1 VAL 92 1.944 -5.686 -3.646 707 HG21 VAL 92 1HG2 VAL 92 -1.248 -7.186 -1.706 708 HG22 VAL 92 2HG2 VAL 92 -0.295 -5.688 -1.567 709 HG23 VAL 92 3HG2 VAL 92 -1.578 -5.817 -2.794 710 H SER 93 H SER 93 -0.886 -7.930 -6.796 711 HA SER 93 HA SER 93 1.522 -9.442 -7.311 712 HB2 SER 93 1HB SER 93 -0.639 -8.635 -9.300 713 HB3 SER 93 2HB SER 93 0.569 -9.889 -9.501 714 HG SER 93 HG SER 93 -0.872 -10.333 -7.195 715 H PHE 94 H PHE 94 -0.161 -6.376 -8.247 716 HA PHE 94 HA PHE 94 2.458 -5.354 -9.076 717 HB2 PHE 94 1HB PHE 94 0.877 -5.984 -11.001 718 HB3 PHE 94 2HB PHE 94 -0.307 -4.874 -10.341 719 HD1 PHE 94 1HD PHE 94 3.313 -4.792 -11.285 720 HD2 PHE 94 2HD PHE 94 -0.449 -2.831 -11.380 721 HE1 PHE 94 1HE PHE 94 4.322 -2.922 -12.620 722 HE2 PHE 94 2HE PHE 94 0.560 -0.960 -12.715 723 HZ PHE 94 HZ PHE 94 2.934 -1.028 -13.319 724 H CYS 95 H CYS 95 2.740 -3.036 -8.806 725 HA CYS 95 HA CYS 95 0.632 -1.586 -7.515 726 HB2 CYS 95 1HB CYS 95 2.046 -1.004 -5.515 727 HB3 CYS 95 2HB CYS 95 1.421 -2.642 -5.532 728 HG CYS 95 HG CYS 95 4.415 -1.427 -5.869 729 H ALA 96 H ALA 96 0.755 0.412 -8.479 730 HA ALA 96 HA ALA 96 3.433 1.337 -9.269 731 HB1 ALA 96 1HB ALA 96 1.445 0.603 -10.996 732 HB2 ALA 96 2HB ALA 96 1.078 2.331 -10.779 733 HB3 ALA 96 3HB ALA 96 2.683 1.829 -11.361 734 HA PRO 97 HA PRO 97 2.483 4.886 -6.989 735 HB2 PRO 97 1HB PRO 97 4.049 6.773 -8.193 736 HB3 PRO 97 2HB PRO 97 4.669 5.606 -7.043 737 HG2 PRO 97 1HG PRO 97 4.977 5.654 -9.983 738 HG3 PRO 97 2HG PRO 97 5.915 4.771 -8.795 739 HD2 PRO 97 1HD PRO 97 3.884 3.704 -10.517 740 HD3 PRO 97 2HD PRO 97 4.740 2.848 -9.251 741 H ASP 98 H ASP 98 2.364 7.585 -7.657 742 HA ASP 98 HA ASP 98 -0.160 7.463 -9.052 743 HB2 ASP 98 1HB ASP 98 -0.506 9.737 -8.187 744 HB3 ASP 98 2HB ASP 98 -0.017 8.673 -6.883 745 H ARG 99 H ARG 99 -0.438 9.878 -10.293 746 HA ARG 99 HA ARG 99 1.866 10.829 -11.531 747 HB2 ARG 99 1HB ARG 99 0.493 8.550 -12.832 748 HB3 ARG 99 2HB ARG 99 0.624 9.941 -13.889 749 HG2 ARG 99 1HG ARG 99 3.142 10.005 -13.033 750 HG3 ARG 99 2HG ARG 99 2.841 8.337 -12.591 751 HD2 ARG 99 1HD ARG 99 2.303 9.444 -15.387 752 HD3 ARG 99 2HD ARG 99 3.814 8.680 -14.932 753 HE ARG 99 HE ARG 99 1.592 6.979 -14.217 754 HH11 ARG 99 2HH2 ARG 99 3.457 8.072 -16.994 755 HH12 ARG 99 1HH2 ARG 99 3.132 6.653 -17.933 756 HH21 ARG 99 2HH1 ARG 99 1.163 5.107 -15.455 757 HH22 ARG 99 1HH1 ARG 99 1.818 4.955 -17.051 758 H ASN 100 H ASN 100 -1.683 10.215 -11.749 759 HA ASN 100 HA ASN 100 -2.116 12.641 -13.170 760 HB2 ASN 100 1HB ASN 100 -4.135 10.832 -11.741 761 HB3 ASN 100 2HB ASN 100 -4.520 12.045 -12.945 762 HD21 ASN 100 1HD2 ASN 100 -4.491 8.928 -12.592 763 HD22 ASN 100 2HD2 ASN 100 -3.939 8.349 -14.128 764 H PHE 101 H PHE 101 -2.559 11.309 -9.833 765 HA PHE 101 HA PHE 101 -3.464 13.918 -8.909 766 HB2 PHE 101 1HB PHE 101 -3.038 11.330 -7.325 767 HB3 PHE 101 2HB PHE 101 -4.146 12.633 -6.941 768 HD1 PHE 101 2HD PHE 101 -3.572 9.748 -9.151 769 HD2 PHE 101 1HD PHE 101 -6.327 12.735 -7.928 770 HE1 PHE 101 2HE PHE 101 -5.422 8.520 -10.320 771 HE2 PHE 101 1HE PHE 101 -8.178 11.506 -9.097 772 HZ PHE 101 HZ PHE 101 -7.703 9.413 -10.278 773 H ASP 102 H ASP 102 -2.557 14.579 -6.653 774 HA ASP 102 HA ASP 102 0.217 14.871 -6.998 775 HB2 ASP 102 1HB ASP 102 -1.846 16.128 -5.530 776 HB3 ASP 102 2HB ASP 102 -0.788 15.472 -4.297 777 H ARG 103 H ARG 103 -1.982 12.978 -4.850 778 HA ARG 103 HA ARG 103 0.232 11.249 -4.253 779 HB2 ARG 103 1HB ARG 103 -0.259 11.268 -1.798 780 HB3 ARG 103 2HB ARG 103 0.279 12.837 -2.362 781 HG2 ARG 103 1HG ARG 103 -2.411 13.137 -2.728 782 HG3 ARG 103 2HG ARG 103 -2.433 11.986 -1.407 783 HD2 ARG 103 1HD ARG 103 -1.716 13.540 0.111 784 HD3 ARG 103 2HD ARG 103 -0.462 14.135 -0.958 785 HE ARG 103 HE ARG 103 -1.896 15.853 -1.628 786 HH11 ARG 103 2HH2 ARG 103 -3.811 13.266 -0.206 787 HH12 ARG 103 1HH2 ARG 103 -5.295 14.157 -0.269 788 HH21 ARG 103 2HH1 ARG 103 -3.853 17.029 -1.711 789 HH22 ARG 103 1HH1 ARG 103 -5.319 16.312 -1.131 790 H ALA 104 H ALA 104 -1.080 9.863 -5.709 791 HA ALA 104 HA ALA 104 -3.283 8.616 -4.237 792 HB1 ALA 104 1HB ALA 104 -4.681 8.591 -6.180 793 HB2 ALA 104 2HB ALA 104 -4.097 10.264 -6.008 794 HB3 ALA 104 3HB ALA 104 -3.364 9.186 -7.220 795 H PHE 105 H PHE 105 -2.200 6.745 -3.680 796 HA PHE 105 HA PHE 105 -0.873 5.343 -5.890 797 HB2 PHE 105 1HB PHE 105 0.697 5.753 -4.106 798 HB3 PHE 105 2HB PHE 105 -0.529 5.564 -2.868 799 HD1 PHE 105 2HD PHE 105 1.291 3.596 -5.458 800 HD2 PHE 105 1HD PHE 105 -0.656 3.571 -1.688 801 HE1 PHE 105 2HE PHE 105 2.023 1.222 -5.096 802 HE2 PHE 105 1HE PHE 105 0.075 1.197 -1.326 803 HZ PHE 105 HZ PHE 105 1.406 0.051 -3.034 804 H SER 106 H SER 106 -1.533 3.279 -6.449 805 HA SER 106 HA SER 106 -3.372 1.964 -4.650 806 HB2 SER 106 1HB SER 106 -4.912 3.124 -6.097 807 HB3 SER 106 2HB SER 106 -3.989 2.719 -7.531 808 HG SER 106 HG SER 106 -4.641 0.394 -6.275 809 H TYR 107 H TYR 107 -3.449 -0.371 -4.981 810 HA TYR 107 HA TYR 107 -1.530 -1.381 -6.953 811 HB2 TYR 107 1HB TYR 107 -0.562 -2.773 -5.154 812 HB3 TYR 107 2HB TYR 107 -0.578 -1.121 -4.569 813 HD1 TYR 107 2HD TYR 107 -2.637 -4.251 -4.504 814 HD2 TYR 107 1HD TYR 107 -1.536 -0.639 -2.492 815 HE1 TYR 107 2HE TYR 107 -3.954 -4.982 -2.456 816 HE2 TYR 107 1HE TYR 107 -2.857 -1.382 -0.451 817 HH TYR 107 HH TYR 107 -5.129 -3.395 -0.411 818 H ILE 108 H ILE 108 -1.913 -3.584 -7.626 819 HA ILE 108 HA ILE 108 -4.706 -4.322 -7.259 820 HB ILE 108 HB ILE 108 -2.588 -5.004 -9.278 821 HG12 ILE 108 1HG1 ILE 108 -5.368 -3.837 -9.593 822 HG13 ILE 108 2HG1 ILE 108 -3.903 -2.883 -9.480 823 HG21 ILE 108 1HG2 ILE 108 -4.706 -6.317 -10.267 824 HG22 ILE 108 2HG2 ILE 108 -3.462 -7.093 -9.258 825 HG23 ILE 108 3HG2 ILE 108 -4.999 -6.570 -8.530 826 HD11 ILE 108 1HD1 ILE 108 -3.061 -4.472 -11.444 827 HD12 ILE 108 2HD1 ILE 108 -4.805 -4.724 -11.695 828 HD13 ILE 108 3HD1 ILE 108 -4.118 -3.085 -11.798 829 H CYS 109 H CYS 109 -5.353 -6.426 -6.571 830 HA CYS 109 HA CYS 109 -3.326 -8.259 -5.724 831 HB2 CYS 109 1HB CYS 109 -3.786 -8.273 -3.382 832 HB3 CYS 109 2HB CYS 109 -3.415 -6.618 -3.826 833 HG CYS 109 HG CYS 109 -6.310 -6.611 -4.498 834 H ARG 110 H ARG 110 -4.271 -10.378 -5.359 835 HA ARG 110 HA ARG 110 -6.836 -10.597 -6.592 836 HB2 ARG 110 1HB ARG 110 -4.894 -12.152 -7.098 837 HB3 ARG 110 2HB ARG 110 -5.014 -12.785 -5.468 838 HG2 ARG 110 1HG ARG 110 -7.596 -12.768 -6.945 839 HG3 ARG 110 2HG ARG 110 -6.371 -13.790 -7.670 840 HD2 ARG 110 1HD ARG 110 -6.009 -14.630 -5.160 841 HD3 ARG 110 2HD ARG 110 -7.626 -13.998 -4.923 842 HE ARG 110 HE ARG 110 -8.490 -15.744 -6.234 843 HH11 ARG 110 2HH2 ARG 110 -5.005 -15.551 -6.684 844 HH12 ARG 110 1HH2 ARG 110 -4.911 -17.031 -7.580 845 HH21 ARG 110 2HH1 ARG 110 -8.366 -17.696 -7.416 846 HH22 ARG 110 1HH1 ARG 110 -6.835 -18.259 -7.999 847 H ASP 111 H ASP 111 -8.439 -9.913 -5.114 848 HA ASP 111 HA ASP 111 -8.513 -10.049 -2.493 849 HB2 ASP 111 1HB ASP 111 -10.381 -9.638 -4.482 850 HB3 ASP 111 2HB ASP 111 -11.015 -11.097 -3.745 851 H GLY 112 H GLY 112 -8.042 -11.734 -1.073 852 HA2 GLY 112 1HA GLY 112 -8.434 -14.489 -1.949 853 HA3 GLY 112 2HA GLY 112 -7.557 -13.929 -0.540 854 H THR 113 H THR 113 -10.936 -13.268 -1.707 855 HA THR 113 HA THR 113 -11.940 -14.612 0.696 856 HB THR 113 HB THR 113 -11.878 -12.327 1.428 857 HG1 THR 113 1HG THR 113 -14.234 -11.831 1.233 858 HG21 THR 113 1HG2 THR 113 -11.613 -11.542 -1.151 859 HG22 THR 113 2HG2 THR 113 -13.370 -11.304 -0.986 860 HG23 THR 113 3HG2 THR 113 -12.249 -10.441 0.095 861 H THR 114 H THR 114 -13.050 -12.763 -2.228 862 HA THR 114 HA THR 114 -15.253 -14.612 -2.510 863 HB THR 114 HB THR 114 -14.292 -12.184 -4.114 864 HG1 THR 114 1HG THR 114 -15.062 -11.826 -1.897 865 HG21 THR 114 1HG2 THR 114 -16.332 -14.179 -4.708 866 HG22 THR 114 2HG2 THR 114 -17.114 -12.631 -4.305 867 HG23 THR 114 3HG2 THR 114 -15.922 -12.710 -5.626 868 H ARG 115 H ARG 115 -13.318 -13.427 -5.263 869 HA ARG 115 HA ARG 115 -11.773 -15.554 -5.753 870 HB2 ARG 115 1HB ARG 115 -13.358 -16.679 -7.606 871 HB3 ARG 115 2HB ARG 115 -13.385 -17.229 -5.942 872 HG2 ARG 115 1HG ARG 115 -15.522 -16.503 -5.626 873 HG3 ARG 115 2HG ARG 115 -15.179 -14.935 -6.328 874 HD2 ARG 115 1HD ARG 115 -16.400 -15.567 -8.138 875 HD3 ARG 115 2HD ARG 115 -15.116 -16.690 -8.538 876 HE ARG 115 HE ARG 115 -16.876 -17.803 -6.517 877 HH11 ARG 115 2HH2 ARG 115 -16.605 -17.195 -9.973 878 HH12 ARG 115 1HH2 ARG 115 -17.679 -18.481 -10.413 879 HH21 ARG 115 2HH1 ARG 115 -18.292 -19.500 -7.097 880 HH22 ARG 115 1HH1 ARG 115 -18.644 -19.801 -8.766 881 H ARG 116 H ARG 116 -11.701 -12.808 -6.221 882 HA ARG 116 HA ARG 116 -11.355 -12.810 -9.061 883 HB2 ARG 116 1HB ARG 116 -12.590 -10.605 -9.315 884 HB3 ARG 116 2HB ARG 116 -13.638 -11.964 -8.959 885 HG2 ARG 116 1HG ARG 116 -14.158 -11.198 -6.836 886 HG3 ARG 116 2HG ARG 116 -12.569 -10.508 -6.573 887 HD2 ARG 116 1HD ARG 116 -14.468 -8.808 -6.824 888 HD3 ARG 116 2HD ARG 116 -13.087 -8.540 -7.868 889 HE ARG 116 HE ARG 116 -14.385 -9.147 -9.751 890 HH11 ARG 116 2HH2 ARG 116 -16.147 -9.800 -6.775 891 HH12 ARG 116 1HH2 ARG 116 -17.657 -10.070 -7.578 892 HH21 ARG 116 2HH1 ARG 116 -16.379 -9.502 -10.811 893 HH22 ARG 116 1HH1 ARG 116 -17.790 -9.899 -9.889 894 H TRP 117 H TRP 117 -10.604 -10.241 -9.579 895 HA TRP 117 HA TRP 117 -8.434 -9.832 -7.661 896 HB2 TRP 117 1HB TRP 117 -8.628 -8.492 -10.335 897 HB3 TRP 117 2HB TRP 117 -7.209 -8.865 -9.376 898 HD1 TRP 117 HD TRP 117 -9.921 -10.887 -11.346 899 HE1 TRP 117 1HE TRP 117 -8.851 -13.037 -12.441 900 HE3 TRP 117 3HE TRP 117 -5.275 -10.211 -9.393 901 HZ2 TRP 117 2HZ TRP 117 -6.240 -14.187 -12.369 902 HZ3 TRP 117 3HZ TRP 117 -3.523 -11.894 -9.955 903 HH2 TRP 117 HH TRP 117 -3.945 -13.828 -11.388 904 H ILE 118 H ILE 118 -8.078 -7.736 -6.733 905 HA ILE 118 HA ILE 118 -10.225 -5.801 -7.193 906 HB ILE 118 HB ILE 118 -9.283 -6.837 -4.520 907 HG12 ILE 118 1HG1 ILE 118 -11.093 -8.038 -5.993 908 HG13 ILE 118 2HG1 ILE 118 -11.327 -7.840 -4.267 909 HG21 ILE 118 1HG2 ILE 118 -10.821 -5.187 -3.526 910 HG22 ILE 118 2HG2 ILE 118 -9.469 -4.422 -4.396 911 HG23 ILE 118 3HG2 ILE 118 -11.086 -4.481 -5.138 912 HD11 ILE 118 1HD1 ILE 118 -12.711 -5.826 -4.646 913 HD12 ILE 118 2HD1 ILE 118 -12.426 -5.949 -6.399 914 HD13 ILE 118 3HD1 ILE 118 -13.363 -7.208 -5.560 915 H CYS 119 H CYS 119 -9.613 -3.576 -6.629 916 HA CYS 119 HA CYS 119 -6.697 -3.278 -6.643 917 HB2 CYS 119 1HB CYS 119 -8.322 -2.556 -8.702 918 HB3 CYS 119 2HB CYS 119 -8.339 -1.074 -7.766 919 HG CYS 119 HG CYS 119 -5.812 -0.707 -7.603 920 H HIS 120 H HIS 120 -5.856 -1.964 -5.016 921 HA HIS 120 HA HIS 120 -7.850 -0.594 -3.361 922 HB2 HIS 120 1HB HIS 120 -5.284 -1.998 -2.583 923 HB3 HIS 120 2HB HIS 120 -6.146 -0.916 -1.507 924 HD1 HIS 120 1HD HIS 120 -7.904 -1.974 -0.068 925 HD2 HIS 120 2HD HIS 120 -7.022 -4.286 -3.455 926 HE1 HIS 120 1HE HIS 120 -9.229 -4.140 0.180 927 H CYS 121 H CYS 121 -7.623 1.588 -3.091 928 HA CYS 121 HA CYS 121 -5.139 2.731 -4.148 929 HB2 CYS 121 1HB CYS 121 -7.803 4.164 -4.018 930 HB3 CYS 121 2HB CYS 121 -6.358 4.643 -4.887 931 HG CYS 121 HG CYS 121 -8.302 3.771 -6.508 932 H PHE 122 H PHE 122 -4.391 4.728 -2.994 933 HA PHE 122 HA PHE 122 -5.559 5.140 -0.373 934 HB2 PHE 122 1HB PHE 122 -2.645 4.343 -0.965 935 HB3 PHE 122 2HB PHE 122 -3.201 4.883 0.607 936 HD1 PHE 122 1HD PHE 122 -3.654 2.207 -1.922 937 HD2 PHE 122 2HD PHE 122 -4.139 3.364 2.132 938 HE1 PHE 122 1HE PHE 122 -4.243 -0.157 -1.317 939 HE2 PHE 122 2HE PHE 122 -4.729 1.000 2.736 940 HZ PHE 122 HZ PHE 122 -4.774 -0.732 1.005 941 H MET 123 H MET 123 -5.811 7.313 -0.206 942 HA MET 123 HA MET 123 -4.125 8.981 -1.833 943 HB2 MET 123 1HB MET 123 -6.790 9.099 -0.588 944 HB3 MET 123 2HB MET 123 -5.889 10.559 -0.231 945 HG2 MET 123 1HG MET 123 -5.827 9.555 -3.074 946 HG3 MET 123 2HG MET 123 -7.319 10.281 -2.508 947 HE1 MET 123 1HE MET 123 -4.056 11.810 -4.411 948 HE2 MET 123 2HE MET 123 -5.558 10.906 -4.722 949 HE3 MET 123 3HE MET 123 -5.562 12.685 -4.777 950 H ALA 124 H ALA 124 -2.083 9.157 -0.887 951 HA ALA 124 HA ALA 124 -1.419 9.114 1.727 952 HB1 ALA 124 1HB ALA 124 -0.152 9.630 -0.666 953 HB2 ALA 124 2HB ALA 124 0.011 11.187 0.179 954 HB3 ALA 124 3HB ALA 124 0.624 9.696 0.934 955 H VAL 125 H VAL 125 -0.797 10.894 3.257 956 HA VAL 125 HA VAL 125 -2.907 12.907 3.226 957 HB VAL 125 HB VAL 125 -1.069 11.826 5.363 958 HG11 VAL 125 1HG1 VAL 125 -1.274 13.803 6.400 959 HG12 VAL 125 2HG1 VAL 125 -2.511 14.371 5.252 960 HG13 VAL 125 3HG1 VAL 125 -2.983 13.371 6.647 961 HG21 VAL 125 1HG2 VAL 125 -4.071 11.802 5.467 962 HG22 VAL 125 2HG2 VAL 125 -3.218 10.602 4.467 963 HG23 VAL 125 3HG2 VAL 125 -2.896 10.694 6.215 964 H LYS 126 H LYS 126 0.517 12.887 4.433 965 HA LYS 126 HA LYS 126 0.818 15.487 3.099 966 HB2 LYS 126 1HB LYS 126 2.370 16.096 4.854 967 HB3 LYS 126 2HB LYS 126 0.835 15.623 5.553 968 HG2 LYS 126 1HG LYS 126 1.719 13.386 6.104 969 HG3 LYS 126 2HG LYS 126 3.225 13.741 5.281 970 HD2 LYS 126 1HD LYS 126 3.642 15.623 6.901 971 HD3 LYS 126 2HD LYS 126 2.162 15.209 7.741 972 HE2 LYS 126 1HE LYS 126 3.034 13.013 8.360 973 HE3 LYS 126 2HE LYS 126 4.430 13.211 7.321 974 HZ1 LYS 126 1HZ LYS 126 4.014 14.183 9.941 975 HZ2 LYS 126 2HZ LYS 126 5.407 14.043 9.099 976 HZ3 LYS 126 3HZ LYS 126 4.485 15.381 8.936 977 H ASP 127 H ASP 127 1.587 12.207 2.935 978 HA ASP 127 HA ASP 127 4.276 12.655 2.023 979 HB2 ASP 127 1HB ASP 127 2.816 10.025 1.738 980 HB3 ASP 127 2HB ASP 127 4.515 10.305 2.062 981 H THR 128 H THR 128 4.369 10.641 -0.047 982 HA THR 128 HA THR 128 2.397 11.563 -2.015 983 HB THR 128 HB THR 128 4.493 12.929 -2.234 984 HG1 THR 128 1HG THR 128 4.068 12.631 -4.387 985 HG21 THR 128 1HG2 THR 128 6.073 11.066 -1.412 986 HG22 THR 128 2HG2 THR 128 5.813 10.274 -2.985 987 HG23 THR 128 3HG2 THR 128 6.580 11.879 -2.912 988 H GLY 129 H GLY 129 2.056 10.106 -3.804 989 HA2 GLY 129 1HA GLY 129 1.792 7.461 -3.064 990 HA3 GLY 129 2HA GLY 129 1.789 8.066 -4.708 991 H GLU 130 H GLU 130 4.610 9.202 -4.363 992 HA GLU 130 HA GLU 130 5.961 7.082 -5.456 993 HB2 GLU 130 1HB GLU 130 6.465 9.806 -4.882 994 HB3 GLU 130 2HB GLU 130 7.758 8.937 -4.081 995 HG2 GLU 130 1HG GLU 130 8.671 9.172 -6.217 996 HG3 GLU 130 2HG GLU 130 7.915 7.598 -6.368 997 H ARG 131 H ARG 131 6.606 8.546 -2.181 998 HA ARG 131 HA ARG 131 8.259 6.626 -1.284 999 HB2 ARG 131 1HB ARG 131 6.343 8.541 0.018 1000 HB3 ARG 131 2HB ARG 131 6.972 7.268 1.044 1001 HG2 ARG 131 1HG ARG 131 9.008 8.268 1.181 1002 HG3 ARG 131 2HG ARG 131 9.128 8.412 -0.561 1003 HD2 ARG 131 1HD ARG 131 7.169 10.300 0.612 1004 HD3 ARG 131 2HD ARG 131 8.792 10.536 1.228 1005 HE ARG 131 HE ARG 131 8.895 10.214 -1.630 1006 HH11 ARG 131 2HH2 ARG 131 7.928 12.535 0.831 1007 HH12 ARG 131 1HH2 ARG 131 8.183 13.913 -0.186 1008 HH21 ARG 131 2HH1 ARG 131 9.233 12.032 -2.973 1009 HH22 ARG 131 1HH1 ARG 131 8.930 13.625 -2.365 1010 H LEU 132 H LEU 132 4.669 6.629 -1.387 1011 HA LEU 132 HA LEU 132 4.273 4.384 0.236 1012 HB2 LEU 132 1HB LEU 132 2.701 5.959 -1.727 1013 HB3 LEU 132 2HB LEU 132 2.130 4.340 -1.377 1014 HG LEU 132 HG LEU 132 2.282 5.026 1.112 1015 HD11 LEU 132 1HD1 LEU 132 1.743 7.817 0.412 1016 HD12 LEU 132 2HD1 LEU 132 2.742 7.127 1.713 1017 HD13 LEU 132 3HD1 LEU 132 3.416 7.313 0.076 1018 HD21 LEU 132 1HD2 LEU 132 0.203 4.659 -0.251 1019 HD22 LEU 132 2HD2 LEU 132 0.031 5.804 1.101 1020 HD23 LEU 132 3HD2 LEU 132 0.179 6.411 -0.565 1021 H SER 133 H SER 133 4.783 4.778 -3.316 1022 HA SER 133 HA SER 133 4.392 2.082 -3.886 1023 HB2 SER 133 1HB SER 133 5.156 2.612 -6.073 1024 HB3 SER 133 2HB SER 133 4.414 4.090 -5.496 1025 HG SER 133 HG SER 133 7.013 3.646 -6.270 1026 H HIS 134 H HIS 134 6.997 3.832 -2.373 1027 HA HIS 134 HA HIS 134 9.036 1.973 -3.130 1028 HB2 HIS 134 1HB HIS 134 10.140 3.875 -2.717 1029 HB3 HIS 134 2HB HIS 134 8.843 4.534 -1.740 1030 HD1 HIS 134 1HD HIS 134 8.784 3.634 0.851 1031 HD2 HIS 134 2HD HIS 134 12.340 3.036 -1.292 1032 HE1 HIS 134 1HE HIS 134 10.595 3.169 2.587 1033 H ALA 135 H ALA 135 7.072 2.713 -0.181 1034 HA ALA 135 HA ALA 135 8.233 0.839 1.489 1035 HB1 ALA 135 1HB ALA 135 5.297 1.622 1.448 1036 HB2 ALA 135 2HB ALA 135 6.288 1.157 2.851 1037 HB3 ALA 135 3HB ALA 135 6.583 2.707 2.029 1038 H VAL 136 H VAL 136 5.252 0.517 -0.572 1039 HA VAL 136 HA VAL 136 4.746 -2.124 -0.022 1040 HB VAL 136 HB VAL 136 3.264 -0.575 -1.209 1041 HG11 VAL 136 1HG1 VAL 136 3.659 0.334 -3.267 1042 HG12 VAL 136 2HG1 VAL 136 5.345 0.156 -2.727 1043 HG13 VAL 136 3HG1 VAL 136 4.629 -1.052 -3.820 1044 HG21 VAL 136 1HG2 VAL 136 3.118 -2.454 -3.306 1045 HG22 VAL 136 2HG2 VAL 136 3.774 -3.335 -1.906 1046 HG23 VAL 136 3HG2 VAL 136 2.225 -2.469 -1.766 1047 H GLY 137 H GLY 137 7.177 -0.640 -2.172 1048 HA2 GLY 137 1HA GLY 137 7.865 -3.089 -3.493 1049 HA3 GLY 137 2HA GLY 137 8.726 -1.563 -3.542 1050 H CYS 138 H CYS 138 8.439 -1.794 -0.334 1051 HA CYS 138 HA CYS 138 11.057 -2.923 -0.061 1052 HB2 CYS 138 1HB CYS 138 9.176 -1.728 2.001 1053 HB3 CYS 138 2HB CYS 138 10.824 -2.233 2.319 1054 HG CYS 138 HG CYS 138 10.588 0.419 2.054 1055 H ALA 139 H ALA 139 7.803 -3.478 1.492 1056 HA ALA 139 HA ALA 139 8.406 -5.812 2.787 1057 HB1 ALA 139 1HB ALA 139 5.923 -4.554 1.657 1058 HB2 ALA 139 2HB ALA 139 5.829 -6.227 2.256 1059 HB3 ALA 139 3HB ALA 139 6.347 -4.919 3.347 1060 H PHE 140 H PHE 140 7.408 -5.285 -0.638 1061 HA PHE 140 HA PHE 140 7.043 -7.925 -1.339 1062 HB2 PHE 140 1HB PHE 140 7.135 -5.348 -2.506 1063 HB3 PHE 140 2HB PHE 140 8.450 -6.179 -3.311 1064 HD1 PHE 140 2HD PHE 140 4.822 -6.434 -2.571 1065 HD2 PHE 140 1HD PHE 140 8.021 -7.663 -5.074 1066 HE1 PHE 140 2HE PHE 140 3.183 -7.512 -4.136 1067 HE2 PHE 140 1HE PHE 140 6.381 -8.742 -6.639 1068 HZ PHE 140 HZ PHE 140 3.982 -8.654 -6.151 1069 H ALA 141 H ALA 141 10.029 -5.907 -1.867 1070 HA ALA 141 HA ALA 141 11.620 -7.958 -2.788 1071 HB1 ALA 141 1HB ALA 141 13.496 -6.464 -2.079 1072 HB2 ALA 141 2HB ALA 141 12.214 -5.597 -2.958 1073 HB3 ALA 141 3HB ALA 141 12.324 -5.465 -1.186 1074 H ALA 142 H ALA 142 10.603 -7.103 0.513 1075 HA ALA 142 HA ALA 142 12.570 -8.685 1.809 1076 HB1 ALA 142 1HB ALA 142 11.185 -6.711 2.721 1077 HB2 ALA 142 2HB ALA 142 9.861 -7.885 2.912 1078 HB3 ALA 142 3HB ALA 142 11.391 -8.119 3.790 1079 H CYS 143 H CYS 143 8.979 -9.145 1.413 1080 HA CYS 143 HA CYS 143 8.904 -11.722 2.311 1081 HB2 CYS 143 1HB CYS 143 6.956 -10.183 1.765 1082 HB3 CYS 143 2HB CYS 143 7.149 -10.647 0.086 1083 HG CYS 143 HG CYS 143 6.116 -12.260 2.709 1084 H LEU 144 H LEU 144 9.625 -10.393 -0.966 1085 HA LEU 144 HA LEU 144 9.753 -12.909 -2.236 1086 HB2 LEU 144 1HB LEU 144 10.586 -10.112 -2.894 1087 HB3 LEU 144 2HB LEU 144 11.160 -11.434 -3.891 1088 HG LEU 144 HG LEU 144 8.299 -10.578 -3.421 1089 HD11 LEU 144 1HD1 LEU 144 9.345 -9.239 -5.078 1090 HD12 LEU 144 2HD1 LEU 144 10.101 -10.653 -5.849 1091 HD13 LEU 144 3HD1 LEU 144 8.338 -10.426 -5.940 1092 HD21 LEU 144 1HD2 LEU 144 7.745 -12.743 -3.564 1093 HD22 LEU 144 2HD2 LEU 144 8.131 -12.566 -5.292 1094 HD23 LEU 144 3HD2 LEU 144 9.348 -13.220 -4.171 1095 H GLU 145 H GLU 145 12.133 -10.806 -0.554 1096 HA GLU 145 HA GLU 145 14.433 -11.974 -1.314 1097 HB2 GLU 145 1HB GLU 145 13.517 -10.333 0.875 1098 HB3 GLU 145 2HB GLU 145 14.607 -11.542 1.524 1099 HG2 GLU 145 1HG GLU 145 15.523 -10.289 -1.023 1100 HG3 GLU 145 2HG GLU 145 15.415 -9.185 0.333 1101 H ARG 146 H ARG 146 11.861 -13.340 0.674 1102 HA ARG 146 HA ARG 146 13.497 -15.349 1.802 1103 HB2 ARG 146 1HB ARG 146 10.587 -14.632 1.784 1104 HB3 ARG 146 2HB ARG 146 10.937 -16.327 2.057 1105 HG2 ARG 146 1HG ARG 146 11.321 -15.792 4.231 1106 HG3 ARG 146 2HG ARG 146 12.803 -15.023 3.698 1107 HD2 ARG 146 1HD ARG 146 10.735 -13.141 3.144 1108 HD3 ARG 146 2HD ARG 146 10.363 -13.787 4.730 1109 HE ARG 146 HE ARG 146 13.181 -13.177 4.543 1110 HH11 ARG 146 2HH2 ARG 146 10.034 -11.645 4.902 1111 HH12 ARG 146 1HH2 ARG 146 10.661 -10.256 5.725 1112 HH21 ARG 146 2HH1 ARG 146 14.010 -11.344 5.628 1113 HH22 ARG 146 1HH1 ARG 146 12.938 -10.084 6.140 1114 H LYS 147 H LYS 147 11.385 -14.976 -1.064 1115 HA LYS 147 HA LYS 147 11.601 -17.787 -1.711 1116 HB2 LYS 147 1HB LYS 147 10.394 -15.690 -3.498 1117 HB3 LYS 147 2HB LYS 147 9.984 -17.387 -3.346 1118 HG2 LYS 147 1HG LYS 147 9.353 -16.747 -0.853 1119 HG3 LYS 147 2HG LYS 147 9.305 -15.106 -1.467 1120 HD2 LYS 147 1HD LYS 147 7.738 -17.434 -2.676 1121 HD3 LYS 147 2HD LYS 147 7.068 -16.287 -1.533 1122 HE2 LYS 147 1HE LYS 147 6.854 -14.640 -3.114 1123 HE3 LYS 147 2HE LYS 147 8.423 -14.976 -3.819 1124 HZ1 LYS 147 1HZ LYS 147 7.302 -17.037 -4.731 1125 HZ2 LYS 147 2HZ LYS 147 5.884 -16.315 -4.362 1126 HZ3 LYS 147 3HZ LYS 147 6.910 -15.608 -5.418 1127 H GLN 148 H GLN 148 12.517 -14.616 -3.236 1128 HA GLN 148 HA GLN 148 14.520 -16.120 -4.718 1129 HB2 GLN 148 1HB GLN 148 14.547 -14.208 -6.284 1130 HB3 GLN 148 2HB GLN 148 12.927 -14.852 -6.108 1131 HG2 GLN 148 1HG GLN 148 12.147 -12.869 -5.326 1132 HG3 GLN 148 2HG GLN 148 13.376 -12.816 -4.077 1133 HE21 GLN 148 1HE2 GLN 148 12.498 -10.545 -5.318 1134 HE22 GLN 148 2HE2 GLN 148 13.744 -9.855 -6.303 1135 H LYS 149 H LYS 149 16.429 -14.298 -5.346 1136 HA LYS 149 HA LYS 149 17.369 -13.430 -2.705 1137 HB2 LYS 149 1HB LYS 149 19.596 -13.822 -3.459 1138 HB3 LYS 149 2HB LYS 149 18.654 -15.250 -3.838 1139 HG2 LYS 149 1HG LYS 149 18.943 -14.987 -6.089 1140 HG3 LYS 149 2HG LYS 149 18.588 -13.272 -6.025 1141 HD2 LYS 149 1HD LYS 149 21.149 -13.782 -4.731 1142 HD3 LYS 149 2HD LYS 149 21.144 -14.510 -6.325 1143 HE2 LYS 149 1HE LYS 149 20.844 -12.451 -7.425 1144 HE3 LYS 149 2HE LYS 149 20.068 -11.702 -6.043 1145 HZ1 LYS 149 1HZ LYS 149 22.023 -10.935 -5.441 1146 HZ2 LYS 149 2HZ LYS 149 22.639 -12.441 -5.305 1147 HZ3 LYS 149 3HZ LYS 149 22.747 -11.640 -6.724 1148 H ARG 150 H ARG 150 18.379 -11.356 -2.501 1149 HA ARG 150 HA ARG 150 17.499 -9.573 -4.618 1150 HB2 ARG 150 1HB ARG 150 16.529 -9.068 -2.412 1151 HB3 ARG 150 2HB ARG 150 18.114 -9.068 -1.665 1152 HG2 ARG 150 1HG ARG 150 17.594 -6.759 -1.992 1153 HG3 ARG 150 2HG ARG 150 18.738 -7.144 -3.263 1154 HD2 ARG 150 1HD ARG 150 16.693 -7.615 -4.779 1155 HD3 ARG 150 2HD ARG 150 15.708 -6.893 -3.522 1156 HE ARG 150 HE ARG 150 17.794 -5.059 -4.005 1157 HH11 ARG 150 2HH2 ARG 150 15.151 -6.495 -5.831 1158 HH12 ARG 150 1HH2 ARG 150 14.972 -5.133 -6.887 1159 HH21 ARG 150 2HH1 ARG 150 17.558 -3.263 -5.397 1160 HH22 ARG 150 1HH1 ARG 150 16.350 -3.282 -6.639 1161 H SER 151 H SER 151 19.025 -8.379 -5.770 1162 HA SER 151 HA SER 151 21.750 -8.522 -4.736 1163 HB2 SER 151 1HB SER 151 21.107 -9.852 -6.903 1164 HB3 SER 151 2HB SER 151 21.079 -8.284 -7.686 1165 HG SER 151 HG SER 151 23.320 -9.493 -6.305 1166 H GLY 152 H GLY 152 23.161 -6.642 -5.400 1167 HA2 GLY 152 1HA GLY 152 23.467 -4.464 -6.112 1168 HA3 GLY 152 2HA GLY 152 21.737 -4.259 -6.300 1169 HA PRO 153 HA PRO 153 23.047 -3.523 -1.774 1170 HB2 PRO 153 1HB PRO 153 25.557 -2.494 -1.437 1171 HB3 PRO 153 2HB PRO 153 25.177 -4.189 -1.204 1172 HG2 PRO 153 1HG PRO 153 26.591 -2.899 -3.456 1173 HG3 PRO 153 2HG PRO 153 26.573 -4.590 -2.995 1174 HD2 PRO 153 1HD PRO 153 25.127 -3.386 -5.161 1175 HD3 PRO 153 2HD PRO 153 25.020 -5.051 -4.627 1176 H SER 154 H SER 154 23.590 -1.425 -0.439 1177 HA SER 154 HA SER 154 23.553 0.873 -2.111 1178 HB2 SER 154 1HB SER 154 21.037 -0.186 -0.884 1179 HB3 SER 154 2HB SER 154 21.302 1.538 -0.718 1180 HG SER 154 HG SER 154 20.400 0.204 -2.881 1181 H SER 155 H SER 155 22.580 -0.334 1.187 1182 HA SER 155 HA SER 155 24.666 1.312 2.294 1183 HB2 SER 155 1HB SER 155 22.159 2.404 2.209 1184 HB3 SER 155 2HB SER 155 22.054 1.540 3.729 1185 HG SER 155 HG SER 155 23.784 3.697 2.987 1186 H GLY 156 H GLY 156 25.599 -0.822 2.716 1187 HA2 GLY 156 1HA GLY 156 24.474 -2.045 5.131 1188 HA3 GLY 156 2HA GLY 156 24.705 -3.061 3.722 Start of MODEL 8 1 H1 GLY 1 H GLY 1 14.348 24.291 3.328 2 HA2 GLY 1 1HA GLY 1 13.341 23.544 5.208 3 HA3 GLY 1 2HA GLY 1 12.468 25.060 5.109 4 H SER 2 H SER 2 10.684 23.848 6.193 5 HA SER 2 HA SER 2 9.220 22.281 4.214 6 HB2 SER 2 1HB SER 2 10.013 21.594 6.904 7 HB3 SER 2 2HB SER 2 8.265 21.714 6.868 8 HG SER 2 HG SER 2 9.081 19.564 6.311 9 H SER 3 H SER 3 6.731 22.327 4.711 10 HA SER 3 HA SER 3 5.764 24.478 6.223 11 HB2 SER 3 1HB SER 3 6.762 25.362 3.828 12 HB3 SER 3 2HB SER 3 5.118 24.985 3.351 13 HG SER 3 HG SER 3 5.964 26.779 5.458 14 H GLY 4 H GLY 4 3.786 23.733 6.899 15 HA2 GLY 4 1HA GLY 4 1.550 23.126 6.265 16 HA3 GLY 4 2HA GLY 4 2.209 22.118 4.991 17 H SER 5 H SER 5 3.683 20.253 5.702 18 HA SER 5 HA SER 5 2.399 18.512 7.225 19 HB2 SER 5 1HB SER 5 5.294 18.892 6.543 20 HB3 SER 5 2HB SER 5 4.933 17.709 7.785 21 HG SER 5 HG SER 5 3.956 16.404 6.342 22 H SER 6 H SER 6 5.134 20.596 8.433 23 HA SER 6 HA SER 6 5.641 21.340 10.407 24 HB2 SER 6 1HB SER 6 2.685 21.290 10.461 25 HB3 SER 6 2HB SER 6 3.395 21.232 12.062 26 HG SER 6 HG SER 6 4.497 23.183 11.673 27 H GLY 7 H GLY 7 6.950 20.161 11.749 28 HA2 GLY 7 1HA GLY 7 7.646 18.581 13.189 29 HA3 GLY 7 2HA GLY 7 5.972 18.324 13.638 30 H ALA 8 H ALA 8 8.616 17.320 11.473 31 HA ALA 8 HA ALA 8 6.998 15.286 10.223 32 HB1 ALA 8 1HB ALA 8 8.625 15.346 8.663 33 HB2 ALA 8 2HB ALA 8 9.292 16.735 9.554 34 HB3 ALA 8 3HB ALA 8 9.900 15.094 9.880 35 H SER 9 H SER 9 6.581 13.346 11.143 36 HA SER 9 HA SER 9 7.731 12.646 13.573 37 HB2 SER 9 1HB SER 9 5.613 11.741 11.910 38 HB3 SER 9 2HB SER 9 6.652 10.347 12.134 39 HG SER 9 HG SER 9 5.006 11.665 13.973 40 H ARG 10 H ARG 10 9.946 12.294 13.678 41 HA ARG 10 HA ARG 10 11.867 11.351 13.384 42 HB2 ARG 10 1HB ARG 10 10.254 9.158 11.988 43 HB3 ARG 10 2HB ARG 10 11.956 9.003 12.377 44 HG2 ARG 10 1HG ARG 10 10.031 9.792 14.573 45 HG3 ARG 10 2HG ARG 10 10.082 8.117 14.061 46 HD2 ARG 10 1HD ARG 10 12.803 8.829 14.311 47 HD3 ARG 10 2HD ARG 10 12.032 9.632 15.664 48 HE ARG 10 HE ARG 10 11.662 7.546 16.649 49 HH11 ARG 10 2HH2 ARG 10 12.245 7.090 13.209 50 HH12 ARG 10 1HH2 ARG 10 12.265 5.361 13.311 51 HH21 ARG 10 2HH1 ARG 10 11.689 5.265 16.785 52 HH22 ARG 10 1HH1 ARG 10 11.946 4.316 15.359 53 HA PRO 11 HA PRO 11 13.239 12.454 9.395 54 HB2 PRO 11 1HB PRO 11 15.750 11.380 9.312 55 HB3 PRO 11 2HB PRO 11 15.375 12.876 10.143 56 HG2 PRO 11 1HG PRO 11 15.908 10.204 11.289 57 HG3 PRO 11 2HG PRO 11 15.954 11.767 12.081 58 HD2 PRO 11 1HD PRO 11 13.877 9.800 12.286 59 HD3 PRO 11 2HD PRO 11 13.870 11.408 12.983 60 H HIS 12 H HIS 12 14.717 11.405 7.421 61 HA HIS 12 HA HIS 12 14.647 9.980 5.755 62 HB2 HIS 12 1HB HIS 12 13.926 8.129 8.011 63 HB3 HIS 12 2HB HIS 12 13.871 7.548 6.358 64 HD1 HIS 12 1HD HIS 12 15.904 6.333 8.313 65 HD2 HIS 12 2HD HIS 12 16.752 9.587 5.805 66 HE1 HIS 12 1HE HIS 12 18.440 6.377 8.032 67 H GLN 13 H GLN 13 13.230 9.539 4.047 68 HA GLN 13 HA GLN 13 10.422 9.883 4.759 69 HB2 GLN 13 1HB GLN 13 11.976 10.755 2.293 70 HB3 GLN 13 2HB GLN 13 10.224 10.707 2.320 71 HG2 GLN 13 1HG GLN 13 11.590 12.118 4.601 72 HG3 GLN 13 2HG GLN 13 11.628 12.909 3.038 73 HE21 GLN 13 1HE2 GLN 13 10.374 14.258 4.861 74 HE22 GLN 13 2HE2 GLN 13 8.649 14.195 4.722 75 H TRP 14 H TRP 14 12.675 8.357 2.352 76 HA TRP 14 HA TRP 14 10.604 6.387 1.761 77 HB2 TRP 14 1HB TRP 14 13.273 6.902 0.437 78 HB3 TRP 14 2HB TRP 14 12.078 5.731 -0.084 79 HD1 TRP 14 HD TRP 14 11.712 9.547 0.751 80 HE1 TRP 14 1HE TRP 14 10.438 10.791 -1.196 81 HE3 TRP 14 3HE TRP 14 11.172 5.455 -2.219 82 HZ2 TRP 14 2HZ TRP 14 9.371 9.943 -3.704 83 HZ3 TRP 14 3HZ TRP 14 10.002 5.750 -4.400 84 HH2 TRP 14 HH TRP 14 9.117 7.898 -5.157 85 H GLN 15 H GLN 15 14.151 6.562 2.576 86 HA GLN 15 HA GLN 15 14.602 3.962 3.030 87 HB2 GLN 15 1HB GLN 15 16.478 5.362 3.194 88 HB3 GLN 15 2HB GLN 15 15.686 6.482 4.284 89 HG2 GLN 15 1HG GLN 15 16.173 5.226 6.165 90 HG3 GLN 15 2HG GLN 15 15.997 3.697 5.327 91 HE21 GLN 15 1HE2 GLN 15 18.045 4.078 7.056 92 HE22 GLN 15 2HE2 GLN 15 19.566 4.161 6.230 93 H THR 16 H THR 16 12.930 6.292 5.183 94 HA THR 16 HA THR 16 12.884 4.785 7.509 95 HB THR 16 HB THR 16 12.211 7.151 7.389 96 HG1 THR 16 1HG THR 16 9.916 5.378 7.838 97 HG21 THR 16 1HG2 THR 16 10.388 7.958 6.147 98 HG22 THR 16 2HG2 THR 16 10.962 6.680 5.049 99 HG23 THR 16 3HG2 THR 16 9.577 6.373 6.124 100 H ASP 17 H ASP 17 10.811 4.586 4.586 101 HA ASP 17 HA ASP 17 9.051 2.754 5.789 102 HB2 ASP 17 1HB ASP 17 9.651 3.529 2.905 103 HB3 ASP 17 2HB ASP 17 8.454 2.309 3.292 104 H GLU 18 H GLU 18 12.290 2.565 4.717 105 HA GLU 18 HA GLU 18 12.098 -0.109 3.697 106 HB2 GLU 18 1HB GLU 18 13.735 1.835 2.970 107 HB3 GLU 18 2HB GLU 18 14.697 1.304 4.335 108 HG2 GLU 18 1HG GLU 18 15.152 -0.797 3.388 109 HG3 GLU 18 2HG GLU 18 13.694 -0.797 2.415 110 H GLU 19 H GLU 19 13.029 1.622 6.676 111 HA GLU 19 HA GLU 19 14.132 -0.746 7.830 112 HB2 GLU 19 1HB GLU 19 14.818 0.625 9.599 113 HB3 GLU 19 2HB GLU 19 14.799 1.755 8.259 114 HG2 GLU 19 1HG GLU 19 12.483 2.477 8.922 115 HG3 GLU 19 2HG GLU 19 12.540 1.373 10.282 116 H GLY 20 H GLY 20 11.101 1.171 7.979 117 HA2 GLY 20 1HA GLY 20 9.954 -0.181 10.184 118 HA3 GLY 20 2HA GLY 20 9.122 0.784 8.980 119 H VAL 21 H VAL 21 10.538 -1.107 6.861 120 HA VAL 21 HA VAL 21 8.386 -3.075 6.945 121 HB VAL 21 HB VAL 21 8.712 -1.609 4.969 122 HG11 VAL 21 1HG1 VAL 21 11.101 -1.361 4.916 123 HG12 VAL 21 2HG1 VAL 21 11.335 -3.117 4.742 124 HG13 VAL 21 3HG1 VAL 21 10.603 -2.181 3.416 125 HG21 VAL 21 1HG2 VAL 21 9.088 -4.590 4.528 126 HG22 VAL 21 2HG2 VAL 21 7.546 -3.721 4.716 127 HG23 VAL 21 3HG2 VAL 21 8.562 -3.431 3.283 128 H ARG 22 H ARG 22 11.730 -2.684 7.686 129 HA ARG 22 HA ARG 22 12.200 -5.509 7.260 130 HB2 ARG 22 1HB ARG 22 14.479 -5.013 7.152 131 HB3 ARG 22 2HB ARG 22 13.827 -3.478 6.613 132 HG2 ARG 22 1HG ARG 22 13.941 -2.619 8.973 133 HG3 ARG 22 2HG ARG 22 14.632 -4.146 9.485 134 HD2 ARG 22 1HD ARG 22 16.198 -2.068 8.841 135 HD3 ARG 22 2HD ARG 22 16.695 -3.713 8.496 136 HE ARG 22 HE ARG 22 15.798 -1.700 6.533 137 HH11 ARG 22 2HH2 ARG 22 16.526 -5.087 7.146 138 HH12 ARG 22 1HH2 ARG 22 16.749 -5.475 5.473 139 HH21 ARG 22 2HH1 ARG 22 16.091 -2.210 4.325 140 HH22 ARG 22 1HH1 ARG 22 16.499 -3.827 3.857 141 H THR 23 H THR 23 11.559 -3.073 9.702 142 HA THR 23 HA THR 23 12.335 -4.958 11.826 143 HB THR 23 HB THR 23 13.411 -2.652 11.762 144 HG1 THR 23 1HG THR 23 12.880 -3.954 13.746 145 HG21 THR 23 1HG2 THR 23 10.909 -1.472 12.892 146 HG22 THR 23 2HG2 THR 23 12.168 -0.706 11.894 147 HG23 THR 23 3HG2 THR 23 10.901 -1.692 11.126 148 H GLY 24 H GLY 24 9.679 -3.003 10.445 149 HA2 GLY 24 1HA GLY 24 7.481 -3.940 10.543 150 HA3 GLY 24 2HA GLY 24 7.832 -4.559 12.144 151 H LYS 25 H LYS 25 7.652 -1.444 10.290 152 HA LYS 25 HA LYS 25 5.854 -0.257 12.013 153 HB2 LYS 25 1HB LYS 25 7.315 1.347 13.230 154 HB3 LYS 25 2HB LYS 25 7.483 -0.312 13.767 155 HG2 LYS 25 1HG LYS 25 9.728 0.351 13.572 156 HG3 LYS 25 2HG LYS 25 9.459 -0.441 12.033 157 HD2 LYS 25 1HD LYS 25 9.367 1.590 10.839 158 HD3 LYS 25 2HD LYS 25 8.890 2.520 12.246 159 HE2 LYS 25 1HE LYS 25 11.631 1.201 12.052 160 HE3 LYS 25 2HE LYS 25 11.331 2.804 11.409 161 HZ1 LYS 25 1HZ LYS 25 12.127 2.883 13.665 162 HZ2 LYS 25 2HZ LYS 25 10.612 3.488 13.592 163 HZ3 LYS 25 3HZ LYS 25 10.866 1.992 14.196 164 H CYS 26 H CYS 26 6.324 -0.597 9.220 165 HA CYS 26 HA CYS 26 7.199 2.043 8.365 166 HB2 CYS 26 1HB CYS 26 8.233 0.305 7.108 167 HB3 CYS 26 2HB CYS 26 6.719 -0.546 6.875 168 HG CYS 26 HG CYS 26 6.546 2.541 6.036 169 H SER 27 H SER 27 5.162 2.880 9.529 170 HA SER 27 HA SER 27 2.874 2.522 7.753 171 HB2 SER 27 1HB SER 27 1.388 2.675 9.596 172 HB3 SER 27 2HB SER 27 2.671 1.625 10.162 173 HG SER 27 HG SER 27 3.502 4.076 10.780 174 H PHE 28 H PHE 28 1.833 4.418 7.011 175 HA PHE 28 HA PHE 28 2.881 6.941 8.059 176 HB2 PHE 28 1HB PHE 28 2.520 7.470 5.388 177 HB3 PHE 28 2HB PHE 28 4.057 6.925 6.028 178 HD1 PHE 28 2HD PHE 28 4.397 4.330 6.105 179 HD2 PHE 28 1HD PHE 28 1.522 6.279 3.667 180 HE1 PHE 28 2HE PHE 28 4.312 2.323 4.601 181 HE2 PHE 28 1HE PHE 28 1.437 4.272 2.163 182 HZ PHE 28 HZ PHE 28 2.833 2.318 2.648 183 HA PRO 29 HA PRO 29 -1.242 8.238 7.804 184 HB2 PRO 29 1HB PRO 29 -1.039 10.917 7.301 185 HB3 PRO 29 2HB PRO 29 -0.797 10.219 8.890 186 HG2 PRO 29 1HG PRO 29 1.222 11.245 6.989 187 HG3 PRO 29 2HG PRO 29 1.385 10.947 8.709 188 HD2 PRO 29 1HD PRO 29 2.387 9.306 6.581 189 HD3 PRO 29 2HD PRO 29 2.448 8.951 8.295 190 H VAL 30 H VAL 30 -2.696 7.550 6.379 191 HA VAL 30 HA VAL 30 -2.639 8.911 3.812 192 HB VAL 30 HB VAL 30 -2.378 7.054 2.505 193 HG11 VAL 30 1HG1 VAL 30 -0.721 6.453 4.977 194 HG12 VAL 30 2HG1 VAL 30 -0.465 5.715 3.378 195 HG13 VAL 30 3HG1 VAL 30 -0.255 7.470 3.593 196 HG21 VAL 30 1HG2 VAL 30 -2.733 4.737 3.195 197 HG22 VAL 30 2HG2 VAL 30 -3.042 5.263 4.866 198 HG23 VAL 30 3HG2 VAL 30 -4.166 5.725 3.565 199 H LYS 31 H LYS 31 -4.682 7.893 2.492 200 HA LYS 31 HA LYS 31 -6.851 7.656 4.457 201 HB2 LYS 31 1HB LYS 31 -6.641 9.455 2.044 202 HB3 LYS 31 2HB LYS 31 -8.200 8.957 2.669 203 HG2 LYS 31 1HG LYS 31 -8.067 10.509 4.313 204 HG3 LYS 31 2HG LYS 31 -6.598 9.770 4.919 205 HD2 LYS 31 1HD LYS 31 -5.855 11.936 4.395 206 HD3 LYS 31 2HD LYS 31 -5.407 11.052 2.951 207 HE2 LYS 31 1HE LYS 31 -6.492 13.012 2.130 208 HE3 LYS 31 2HE LYS 31 -7.699 11.751 1.973 209 HZ1 LYS 31 1HZ LYS 31 -8.327 12.537 4.338 210 HZ2 LYS 31 2HZ LYS 31 -7.579 13.921 3.898 211 HZ3 LYS 31 3HZ LYS 31 -8.852 13.371 3.035 212 H TYR 32 H TYR 32 -8.549 6.231 3.916 213 HA TYR 32 HA TYR 32 -7.794 4.317 1.850 214 HB2 TYR 32 1HB TYR 32 -8.380 3.719 4.279 215 HB3 TYR 32 2HB TYR 32 -9.973 4.406 4.031 216 HD1 TYR 32 2HD TYR 32 -8.354 2.487 1.344 217 HD2 TYR 32 1HD TYR 32 -11.073 2.310 4.643 218 HE1 TYR 32 2HE TYR 32 -9.203 0.233 0.532 219 HE2 TYR 32 1HE TYR 32 -11.913 0.056 3.819 220 HH TYR 32 HH TYR 32 -10.694 -1.324 0.788 221 H LEU 33 H LEU 33 -8.518 4.885 -0.164 222 HA LEU 33 HA LEU 33 -10.908 6.383 -0.504 223 HB2 LEU 33 1HB LEU 33 -9.110 4.930 -2.447 224 HB3 LEU 33 2HB LEU 33 -10.475 5.921 -2.922 225 HG LEU 33 HG LEU 33 -8.125 6.959 -1.318 226 HD11 LEU 33 1HD1 LEU 33 -7.347 6.177 -3.496 227 HD12 LEU 33 2HD1 LEU 33 -8.604 7.143 -4.305 228 HD13 LEU 33 3HD1 LEU 33 -7.305 7.954 -3.398 229 HD21 LEU 33 1HD2 LEU 33 -9.541 8.648 -0.944 230 HD22 LEU 33 2HD2 LEU 33 -9.259 9.080 -2.647 231 HD23 LEU 33 3HD2 LEU 33 -10.677 8.102 -2.201 232 H GLY 34 H GLY 34 -9.955 2.923 -0.922 233 HA2 GLY 34 1HA GLY 34 -12.022 1.590 -0.055 234 HA3 GLY 34 2HA GLY 34 -12.749 2.249 -1.508 235 H HIS 35 H HIS 35 -12.977 0.231 -2.580 236 HA HIS 35 HA HIS 35 -10.482 -0.729 -3.698 237 HB2 HIS 35 1HB HIS 35 -11.423 -3.126 -3.321 238 HB3 HIS 35 2HB HIS 35 -10.526 -2.322 -2.048 239 HD1 HIS 35 1HD HIS 35 -11.597 -3.176 0.057 240 HD2 HIS 35 2HD HIS 35 -14.425 -1.919 -2.775 241 HE1 HIS 35 1HE HIS 35 -13.871 -3.319 1.206 242 H VAL 36 H VAL 36 -10.690 -1.320 -5.849 243 HA VAL 36 HA VAL 36 -13.437 -1.495 -6.865 244 HB VAL 36 HB VAL 36 -12.920 -0.096 -8.696 245 HG11 VAL 36 1HG1 VAL 36 -12.516 2.036 -7.650 246 HG12 VAL 36 2HG1 VAL 36 -13.447 1.025 -6.518 247 HG13 VAL 36 3HG1 VAL 36 -11.700 1.260 -6.271 248 HG21 VAL 36 1HG2 VAL 36 -10.052 -0.016 -7.699 249 HG22 VAL 36 2HG2 VAL 36 -10.641 -0.864 -9.149 250 HG23 VAL 36 3HG2 VAL 36 -10.703 0.914 -9.070 251 H GLU 37 H GLU 37 -13.556 -2.653 -8.991 252 HA GLU 37 HA GLU 37 -11.718 -4.859 -8.880 253 HB2 GLU 37 1HB GLU 37 -14.432 -4.675 -9.371 254 HB3 GLU 37 2HB GLU 37 -13.801 -4.835 -10.998 255 HG2 GLU 37 1HG GLU 37 -12.325 -6.736 -9.551 256 HG3 GLU 37 2HG GLU 37 -13.920 -6.836 -8.831 257 H VAL 38 H VAL 38 -10.559 -5.661 -10.798 258 HA VAL 38 HA VAL 38 -10.028 -3.493 -12.711 259 HB VAL 38 HB VAL 38 -7.757 -4.378 -12.864 260 HG11 VAL 38 1HG1 VAL 38 -7.812 -2.599 -11.385 261 HG12 VAL 38 2HG1 VAL 38 -8.847 -3.457 -10.219 262 HG13 VAL 38 3HG1 VAL 38 -7.124 -3.882 -10.361 263 HG21 VAL 38 1HG2 VAL 38 -7.513 -5.955 -10.532 264 HG22 VAL 38 2HG2 VAL 38 -8.902 -6.608 -11.433 265 HG23 VAL 38 3HG2 VAL 38 -7.314 -6.468 -12.225 266 H ASP 39 H ASP 39 -8.477 -5.051 -14.516 267 HA ASP 39 HA ASP 39 -10.248 -7.217 -15.239 268 HB2 ASP 39 1HB ASP 39 -10.639 -4.788 -16.412 269 HB3 ASP 39 2HB ASP 39 -9.370 -5.392 -17.458 270 H GLU 40 H GLU 40 -7.322 -5.200 -15.966 271 HA GLU 40 HA GLU 40 -6.076 -7.386 -17.325 272 HB2 GLU 40 1HB GLU 40 -4.835 -4.726 -16.509 273 HB3 GLU 40 2HB GLU 40 -4.257 -5.824 -17.747 274 HG2 GLU 40 1HG GLU 40 -7.088 -4.866 -18.031 275 HG3 GLU 40 2HG GLU 40 -5.833 -3.672 -18.292 276 H SER 41 H SER 41 -5.857 -5.671 -14.173 277 HA SER 41 HA SER 41 -5.196 -6.513 -12.239 278 HB2 SER 41 1HB SER 41 -3.572 -8.748 -13.450 279 HB3 SER 41 2HB SER 41 -4.429 -8.710 -11.922 280 HG SER 41 HG SER 41 -6.157 -9.517 -12.885 281 H ARG 42 H ARG 42 -3.465 -5.404 -14.865 282 HA ARG 42 HA ARG 42 -1.378 -4.500 -13.177 283 HB2 ARG 42 1HB ARG 42 0.455 -5.367 -14.762 284 HB3 ARG 42 2HB ARG 42 -0.285 -6.574 -13.730 285 HG2 ARG 42 1HG ARG 42 -1.821 -6.313 -16.197 286 HG3 ARG 42 2HG ARG 42 -0.133 -6.587 -16.578 287 HD2 ARG 42 1HD ARG 42 -1.480 -8.292 -14.461 288 HD3 ARG 42 2HD ARG 42 -1.738 -8.655 -16.156 289 HE ARG 42 HE ARG 42 0.668 -9.178 -14.650 290 HH11 ARG 42 2HH2 ARG 42 -0.434 -8.219 -17.851 291 HH12 ARG 42 1HH2 ARG 42 0.961 -8.850 -18.661 292 HH21 ARG 42 2HH1 ARG 42 2.509 -10.011 -15.717 293 HH22 ARG 42 1HH1 ARG 42 2.647 -9.876 -17.439 294 H GLY 43 H GLY 43 -0.615 -2.497 -13.942 295 HA2 GLY 43 1HA GLY 43 -0.189 -1.586 -16.425 296 HA3 GLY 43 2HA GLY 43 -1.931 -1.447 -16.305 297 H MET 44 H MET 44 0.880 0.271 -15.932 298 HA MET 44 HA MET 44 0.698 1.525 -13.523 299 HB2 MET 44 1HB MET 44 1.581 2.452 -16.299 300 HB3 MET 44 2HB MET 44 1.741 3.511 -14.912 301 HG2 MET 44 1HG MET 44 3.398 2.197 -13.911 302 HG3 MET 44 2HG MET 44 2.804 0.708 -14.620 303 HE1 MET 44 1HE MET 44 2.508 0.787 -17.399 304 HE2 MET 44 2HE MET 44 4.085 0.752 -18.223 305 HE3 MET 44 3HE MET 44 3.779 -0.328 -16.841 306 H HIS 45 H HIS 45 -1.372 1.833 -16.361 307 HA HIS 45 HA HIS 45 -2.506 4.308 -15.377 308 HB2 HIS 45 1HB HIS 45 -3.826 4.255 -17.444 309 HB3 HIS 45 2HB HIS 45 -2.104 4.146 -17.752 310 HD1 HIS 45 1HD HIS 45 -1.183 1.911 -18.738 311 HD2 HIS 45 2HD HIS 45 -5.330 1.944 -18.112 312 HE1 HIS 45 1HE HIS 45 -2.108 -0.121 -19.973 313 H ILE 46 H ILE 46 -2.938 0.870 -15.130 314 HA ILE 46 HA ILE 46 -5.738 0.851 -14.770 315 HB ILE 46 HB ILE 46 -3.645 -1.097 -13.795 316 HG12 ILE 46 1HG1 ILE 46 -3.669 -0.491 -16.299 317 HG13 ILE 46 2HG1 ILE 46 -3.711 -2.184 -15.847 318 HG21 ILE 46 1HG2 ILE 46 -5.950 -1.251 -12.776 319 HG22 ILE 46 2HG2 ILE 46 -6.560 -1.623 -14.406 320 HG23 ILE 46 3HG2 ILE 46 -5.380 -2.706 -13.629 321 HD11 ILE 46 1HD1 ILE 46 -6.330 -0.720 -16.209 322 HD12 ILE 46 2HD1 ILE 46 -5.418 -1.241 -17.646 323 HD13 ILE 46 3HD1 ILE 46 -5.960 -2.444 -16.452 324 H CYS 47 H CYS 47 -3.015 0.576 -12.372 325 HA CYS 47 HA CYS 47 -4.386 0.615 -10.092 326 HB2 CYS 47 1HB CYS 47 -1.825 2.097 -10.745 327 HB3 CYS 47 2HB CYS 47 -2.454 1.953 -9.116 328 HG CYS 47 HG CYS 47 -1.833 -0.298 -8.643 329 H GLU 48 H GLU 48 -3.200 3.644 -11.744 330 HA GLU 48 HA GLU 48 -4.551 5.399 -10.165 331 HB2 GLU 48 1HB GLU 48 -3.433 5.458 -12.946 332 HB3 GLU 48 2HB GLU 48 -4.528 6.758 -12.518 333 HG2 GLU 48 1HG GLU 48 -2.339 7.538 -11.919 334 HG3 GLU 48 2HG GLU 48 -3.119 7.122 -10.406 335 H ASP 49 H ASP 49 -5.630 3.865 -13.270 336 HA ASP 49 HA ASP 49 -7.913 5.101 -13.736 337 HB2 ASP 49 1HB ASP 49 -6.816 2.489 -14.253 338 HB3 ASP 49 2HB ASP 49 -8.501 2.265 -13.826 339 H ALA 50 H ALA 50 -7.212 2.754 -11.110 340 HA ALA 50 HA ALA 50 -9.807 2.223 -10.281 341 HB1 ALA 50 1HB ALA 50 -7.662 1.070 -9.595 342 HB2 ALA 50 2HB ALA 50 -7.326 2.461 -8.537 343 HB3 ALA 50 3HB ALA 50 -8.762 1.449 -8.248 344 H VAL 51 H VAL 51 -7.449 4.657 -8.950 345 HA VAL 51 HA VAL 51 -9.015 5.864 -7.129 346 HB VAL 51 HB VAL 51 -7.196 7.265 -9.098 347 HG11 VAL 51 1HG1 VAL 51 -6.953 8.340 -6.496 348 HG12 VAL 51 2HG1 VAL 51 -7.661 9.111 -7.935 349 HG13 VAL 51 3HG1 VAL 51 -8.698 8.195 -6.816 350 HG21 VAL 51 1HG2 VAL 51 -5.668 6.841 -6.887 351 HG22 VAL 51 2HG2 VAL 51 -6.656 5.360 -6.896 352 HG23 VAL 51 3HG2 VAL 51 -5.675 5.784 -8.319 353 H LYS 52 H LYS 52 -8.758 7.058 -10.559 354 HA LYS 52 HA LYS 52 -10.691 8.904 -10.548 355 HB2 LYS 52 1HB LYS 52 -10.086 6.869 -12.712 356 HB3 LYS 52 2HB LYS 52 -11.070 8.298 -12.956 357 HG2 LYS 52 1HG LYS 52 -9.252 9.677 -13.033 358 HG3 LYS 52 2HG LYS 52 -8.524 8.942 -11.618 359 HD2 LYS 52 1HD LYS 52 -7.372 7.324 -12.870 360 HD3 LYS 52 2HD LYS 52 -8.532 7.353 -14.183 361 HE2 LYS 52 1HE LYS 52 -6.781 9.768 -13.571 362 HE3 LYS 52 2HE LYS 52 -6.207 8.463 -14.590 363 HZ1 LYS 52 1HZ LYS 52 -7.266 9.498 -16.207 364 HZ2 LYS 52 2HZ LYS 52 -8.680 9.026 -15.540 365 HZ3 LYS 52 3HZ LYS 52 -8.067 10.499 -15.195 366 H ARG 53 H ARG 53 -11.151 5.347 -10.553 367 HA ARG 53 HA ARG 53 -13.852 5.382 -11.078 368 HB2 ARG 53 1HB ARG 53 -11.992 3.426 -10.713 369 HB3 ARG 53 2HB ARG 53 -12.777 3.334 -9.149 370 HG2 ARG 53 1HG ARG 53 -15.002 3.091 -10.296 371 HG3 ARG 53 2HG ARG 53 -14.193 3.142 -11.850 372 HD2 ARG 53 1HD ARG 53 -13.746 0.920 -11.721 373 HD3 ARG 53 2HD ARG 53 -12.847 1.163 -10.237 374 HE ARG 53 HE ARG 53 -14.741 0.521 -8.981 375 HH11 ARG 53 2HH2 ARG 53 -15.608 0.942 -12.365 376 HH12 ARG 53 1HH2 ARG 53 -17.169 0.212 -12.189 377 HH21 ARG 53 2HH1 ARG 53 -16.800 -0.443 -8.748 378 HH22 ARG 53 1HH1 ARG 53 -17.851 -0.581 -10.117 379 H LEU 54 H LEU 54 -12.048 5.313 -7.921 380 HA LEU 54 HA LEU 54 -14.426 5.479 -6.378 381 HB2 LEU 54 1HB LEU 54 -11.587 6.075 -5.544 382 HB3 LEU 54 2HB LEU 54 -12.941 5.689 -4.500 383 HG LEU 54 HG LEU 54 -12.179 3.680 -6.577 384 HD11 LEU 54 1HD1 LEU 54 -10.056 4.590 -5.441 385 HD12 LEU 54 2HD1 LEU 54 -10.658 3.772 -3.979 386 HD13 LEU 54 3HD1 LEU 54 -10.322 2.830 -5.451 387 HD21 LEU 54 1HD2 LEU 54 -13.006 3.350 -3.683 388 HD22 LEU 54 2HD2 LEU 54 -14.139 3.404 -5.055 389 HD23 LEU 54 3HD2 LEU 54 -12.935 2.097 -4.945 390 H LYS 55 H LYS 55 -12.848 7.694 -8.391 391 HA LYS 55 HA LYS 55 -13.459 9.984 -6.712 392 HB2 LYS 55 1HB LYS 55 -12.111 9.730 -9.416 393 HB3 LYS 55 2HB LYS 55 -12.403 11.253 -8.599 394 HG2 LYS 55 1HG LYS 55 -11.205 9.923 -6.556 395 HG3 LYS 55 2HG LYS 55 -10.478 9.054 -7.894 396 HD2 LYS 55 1HD LYS 55 -8.993 10.758 -8.088 397 HD3 LYS 55 2HD LYS 55 -10.308 11.752 -8.684 398 HE2 LYS 55 1HE LYS 55 -9.288 11.526 -5.826 399 HE3 LYS 55 2HE LYS 55 -9.361 12.959 -6.831 400 HZ1 LYS 55 1HZ LYS 55 -11.368 13.325 -6.050 401 HZ2 LYS 55 2HZ LYS 55 -11.919 11.906 -6.642 402 HZ3 LYS 55 3HZ LYS 55 -11.309 11.978 -5.129 403 H ALA 56 H ALA 56 -14.872 7.991 -9.188 404 HA ALA 56 HA ALA 56 -16.842 10.098 -9.743 405 HB1 ALA 56 1HB ALA 56 -17.180 7.942 -11.534 406 HB2 ALA 56 2HB ALA 56 -16.462 9.533 -11.885 407 HB3 ALA 56 3HB ALA 56 -15.421 8.174 -11.394 408 H THR 57 H THR 57 -16.237 7.432 -7.788 409 HA THR 57 HA THR 57 -18.746 6.096 -8.011 410 HB THR 57 HB THR 57 -16.302 5.447 -7.013 411 HG1 THR 57 1HG THR 57 -17.646 3.768 -5.881 412 HG21 THR 57 1HG2 THR 57 -16.823 7.107 -5.024 413 HG22 THR 57 2HG2 THR 57 -17.973 5.852 -4.503 414 HG23 THR 57 3HG2 THR 57 -16.239 5.472 -4.633 415 H GLY 58 H GLY 58 -17.536 8.916 -6.231 416 HA2 GLY 58 1HA GLY 58 -18.818 10.547 -5.276 417 HA3 GLY 58 2HA GLY 58 -20.254 9.561 -5.474 418 H LYS 59 H LYS 59 -17.074 8.985 -3.801 419 HA LYS 59 HA LYS 59 -18.624 8.534 -1.347 420 HB2 LYS 59 1HB LYS 59 -17.569 6.490 -2.668 421 HB3 LYS 59 2HB LYS 59 -16.098 7.009 -1.870 422 HG2 LYS 59 1HG LYS 59 -18.122 7.094 0.135 423 HG3 LYS 59 2HG LYS 59 -18.397 5.604 -0.746 424 HD2 LYS 59 1HD LYS 59 -15.602 5.676 -0.448 425 HD3 LYS 59 2HD LYS 59 -16.188 6.321 1.072 426 HE2 LYS 59 1HE LYS 59 -17.857 4.267 1.017 427 HE3 LYS 59 2HE LYS 59 -16.741 3.603 -0.160 428 HZ1 LYS 59 1HZ LYS 59 -16.465 3.633 2.577 429 HZ2 LYS 59 2HZ LYS 59 -15.395 3.073 1.478 430 HZ3 LYS 59 3HZ LYS 59 -15.296 4.617 1.999 431 H LYS 60 H LYS 60 -15.836 7.974 -0.106 432 HA LYS 60 HA LYS 60 -14.508 10.499 -0.335 433 HB2 LYS 60 1HB LYS 60 -14.880 11.271 1.928 434 HB3 LYS 60 2HB LYS 60 -16.411 11.136 1.087 435 HG2 LYS 60 1HG LYS 60 -17.120 9.894 2.857 436 HG3 LYS 60 2HG LYS 60 -16.134 8.598 2.209 437 HD2 LYS 60 1HD LYS 60 -14.177 9.456 3.552 438 HD3 LYS 60 2HD LYS 60 -15.215 10.687 4.241 439 HE2 LYS 60 1HE LYS 60 -15.936 7.735 4.423 440 HE3 LYS 60 2HE LYS 60 -14.872 8.484 5.597 441 HZ1 LYS 60 1HZ LYS 60 -17.692 8.867 5.199 442 HZ2 LYS 60 2HZ LYS 60 -16.815 8.935 6.574 443 HZ3 LYS 60 3HZ LYS 60 -16.852 10.218 5.565 444 H ALA 61 H ALA 61 -12.792 10.521 1.686 445 HA ALA 61 HA ALA 61 -11.690 7.795 1.685 446 HB1 ALA 61 1HB ALA 61 -9.641 8.668 1.202 447 HB2 ALA 61 2HB ALA 61 -10.595 10.027 0.561 448 HB3 ALA 61 3HB ALA 61 -9.908 10.117 2.200 449 H VAL 62 H VAL 62 -10.882 6.949 3.646 450 HA VAL 62 HA VAL 62 -11.920 8.335 5.990 451 HB VAL 62 HB VAL 62 -11.046 5.515 5.394 452 HG11 VAL 62 1HG1 VAL 62 -11.528 6.817 8.079 453 HG12 VAL 62 2HG1 VAL 62 -11.769 5.072 7.822 454 HG13 VAL 62 3HG1 VAL 62 -10.165 5.797 7.558 455 HG21 VAL 62 1HG2 VAL 62 -13.600 5.846 6.715 456 HG22 VAL 62 2HG2 VAL 62 -13.515 6.861 5.256 457 HG23 VAL 62 3HG2 VAL 62 -13.226 5.109 5.139 458 H LYS 63 H LYS 63 -10.566 8.497 7.953 459 HA LYS 63 HA LYS 63 -7.812 9.080 7.178 460 HB2 LYS 63 1HB LYS 63 -9.588 10.019 9.433 461 HB3 LYS 63 2HB LYS 63 -7.855 10.269 9.459 462 HG2 LYS 63 1HG LYS 63 -8.672 11.052 6.853 463 HG3 LYS 63 2HG LYS 63 -9.899 11.694 7.926 464 HD2 LYS 63 1HD LYS 63 -8.291 13.416 7.921 465 HD3 LYS 63 2HD LYS 63 -7.892 12.541 9.386 466 HE2 LYS 63 1HE LYS 63 -6.188 11.204 8.023 467 HE3 LYS 63 2HE LYS 63 -6.508 12.279 6.677 468 HZ1 LYS 63 1HZ LYS 63 -5.722 13.298 9.308 469 HZ2 LYS 63 2HZ LYS 63 -4.621 12.885 8.174 470 HZ3 LYS 63 3HZ LYS 63 -5.690 14.083 7.877 471 H ALA 64 H ALA 64 -6.556 7.275 7.325 472 HA ALA 64 HA ALA 64 -6.399 6.046 9.948 473 HB1 ALA 64 1HB ALA 64 -6.296 3.877 8.140 474 HB2 ALA 64 2HB ALA 64 -7.564 4.221 9.342 475 HB3 ALA 64 3HB ALA 64 -7.731 4.823 7.675 476 H VAL 65 H VAL 65 -4.438 4.471 9.961 477 HA VAL 65 HA VAL 65 -2.340 5.765 8.380 478 HB VAL 65 HB VAL 65 -2.258 4.173 10.949 479 HG11 VAL 65 1HG1 VAL 65 0.166 5.562 10.579 480 HG12 VAL 65 2HG1 VAL 65 -0.098 3.803 10.530 481 HG13 VAL 65 3HG1 VAL 65 -0.175 4.757 9.029 482 HG21 VAL 65 1HG2 VAL 65 -3.206 6.565 10.939 483 HG22 VAL 65 2HG2 VAL 65 -1.897 6.199 12.088 484 HG23 VAL 65 3HG2 VAL 65 -1.541 7.087 10.587 485 H LEU 66 H LEU 66 -1.322 4.661 6.777 486 HA LEU 66 HA LEU 66 -2.133 1.904 6.383 487 HB2 LEU 66 1HB LEU 66 -2.360 3.259 4.479 488 HB3 LEU 66 2HB LEU 66 -0.779 3.986 4.689 489 HG LEU 66 HG LEU 66 0.334 1.963 4.004 490 HD11 LEU 66 1HD1 LEU 66 -2.263 0.553 3.474 491 HD12 LEU 66 2HD1 LEU 66 -0.626 -0.112 3.691 492 HD13 LEU 66 3HD1 LEU 66 -1.530 0.502 5.096 493 HD21 LEU 66 1HD2 LEU 66 -1.960 2.533 2.107 494 HD22 LEU 66 2HD2 LEU 66 -0.471 3.498 2.249 495 HD23 LEU 66 3HD2 LEU 66 -0.387 1.809 1.695 496 H TRP 67 H TRP 67 -0.990 0.313 7.336 497 HA TRP 67 HA TRP 67 1.795 0.850 8.005 498 HB2 TRP 67 1HB TRP 67 -0.089 -1.373 8.810 499 HB3 TRP 67 2HB TRP 67 1.589 -1.261 9.304 500 HD1 TRP 67 HD TRP 67 -1.588 1.015 9.583 501 HE1 TRP 67 1HE TRP 67 -1.608 2.285 11.896 502 HE3 TRP 67 3HE TRP 67 2.885 -0.780 11.203 503 HZ2 TRP 67 2HZ TRP 67 0.208 2.393 14.095 504 HZ3 TRP 67 3HZ TRP 67 3.690 -0.042 13.444 505 HH2 TRP 67 HH TRP 67 2.430 1.488 14.874 506 H VAL 68 H VAL 68 3.511 -0.469 7.201 507 HA VAL 68 HA VAL 68 2.736 -2.324 5.065 508 HB VAL 68 HB VAL 68 4.900 -0.213 4.971 509 HG11 VAL 68 1HG1 VAL 68 4.465 -1.451 2.437 510 HG12 VAL 68 2HG1 VAL 68 5.940 -1.446 3.434 511 HG13 VAL 68 3HG1 VAL 68 4.732 -2.737 3.638 512 HG21 VAL 68 1HG2 VAL 68 3.495 0.447 2.884 513 HG22 VAL 68 2HG2 VAL 68 2.193 -0.476 3.673 514 HG23 VAL 68 3HG2 VAL 68 2.919 0.923 4.499 515 H SER 69 H SER 69 3.725 -4.292 5.200 516 HA SER 69 HA SER 69 6.191 -4.433 6.695 517 HB2 SER 69 1HB SER 69 3.820 -6.242 7.329 518 HB3 SER 69 2HB SER 69 5.395 -6.294 8.095 519 HG SER 69 HG SER 69 3.298 -4.875 8.888 520 H ALA 70 H ALA 70 7.205 -6.708 6.434 521 HA ALA 70 HA ALA 70 7.375 -7.350 3.757 522 HB1 ALA 70 1HB ALA 70 8.758 -9.149 4.483 523 HB2 ALA 70 2HB ALA 70 8.962 -7.871 5.706 524 HB3 ALA 70 3HB ALA 70 7.914 -9.269 6.046 525 H ASP 71 H ASP 71 5.101 -8.414 6.271 526 HA ASP 71 HA ASP 71 4.211 -10.675 4.880 527 HB2 ASP 71 1HB ASP 71 3.016 -8.932 7.071 528 HB3 ASP 71 2HB ASP 71 2.135 -10.302 6.423 529 H GLY 72 H GLY 72 3.837 -7.264 4.437 530 HA2 GLY 72 1HA GLY 72 2.690 -6.944 2.169 531 HA3 GLY 72 2HA GLY 72 1.279 -7.563 3.004 532 H LEU 73 H LEU 73 -0.089 -5.882 3.433 533 HA LEU 73 HA LEU 73 1.119 -3.517 4.684 534 HB2 LEU 73 1HB LEU 73 -1.286 -3.316 2.910 535 HB3 LEU 73 2HB LEU 73 -0.179 -2.061 3.429 536 HG LEU 73 HG LEU 73 0.699 -4.290 1.590 537 HD11 LEU 73 1HD1 LEU 73 0.265 -1.876 0.130 538 HD12 LEU 73 2HD1 LEU 73 -0.474 -3.478 -0.105 539 HD13 LEU 73 3HD1 LEU 73 -1.238 -2.297 0.986 540 HD21 LEU 73 1HD2 LEU 73 2.668 -3.252 1.509 541 HD22 LEU 73 2HD2 LEU 73 1.914 -1.656 1.284 542 HD23 LEU 73 3HD2 LEU 73 2.118 -2.321 2.923 543 H ARG 74 H ARG 74 -0.783 -2.180 5.790 544 HA ARG 74 HA ARG 74 -2.884 -3.845 6.728 545 HB2 ARG 74 1HB ARG 74 -0.461 -3.263 8.411 546 HB3 ARG 74 2HB ARG 74 -2.012 -3.109 9.214 547 HG2 ARG 74 1HG ARG 74 -2.270 -5.509 7.778 548 HG3 ARG 74 2HG ARG 74 -0.602 -5.542 8.314 549 HD2 ARG 74 1HD ARG 74 -1.672 -4.777 10.651 550 HD3 ARG 74 2HD ARG 74 -3.127 -5.483 9.977 551 HE ARG 74 HE ARG 74 -2.172 -7.621 10.174 552 HH11 ARG 74 2HH2 ARG 74 0.322 -5.172 10.581 553 HH12 ARG 74 1HH2 ARG 74 1.529 -6.304 11.096 554 HH21 ARG 74 2HH1 ARG 74 -0.581 -9.114 10.852 555 HH22 ARG 74 1HH1 ARG 74 1.011 -8.561 11.251 556 H VAL 75 H VAL 75 -4.611 -2.442 6.697 557 HA VAL 75 HA VAL 75 -4.062 0.396 7.020 558 HB VAL 75 HB VAL 75 -6.573 -1.075 6.195 559 HG11 VAL 75 1HG1 VAL 75 -5.824 1.856 6.243 560 HG12 VAL 75 2HG1 VAL 75 -7.131 1.219 5.216 561 HG13 VAL 75 3HG1 VAL 75 -7.229 1.055 6.986 562 HG21 VAL 75 1HG2 VAL 75 -4.886 -1.525 4.556 563 HG22 VAL 75 2HG2 VAL 75 -5.948 -0.260 3.893 564 HG23 VAL 75 3HG2 VAL 75 -4.351 0.172 4.550 565 H VAL 76 H VAL 76 -3.908 0.986 9.143 566 HA VAL 76 HA VAL 76 -5.696 -0.274 11.052 567 HB VAL 76 HB VAL 76 -3.215 1.384 11.147 568 HG11 VAL 76 1HG1 VAL 76 -4.403 2.676 12.688 569 HG12 VAL 76 2HG1 VAL 76 -5.332 1.284 13.292 570 HG13 VAL 76 3HG1 VAL 76 -3.611 1.455 13.713 571 HG21 VAL 76 1HG2 VAL 76 -3.912 -0.953 12.913 572 HG22 VAL 76 2HG2 VAL 76 -3.437 -1.216 11.218 573 HG23 VAL 76 3HG2 VAL 76 -2.320 -0.401 12.339 574 H ASP 77 H ASP 77 -7.061 1.017 12.497 575 HA ASP 77 HA ASP 77 -8.095 3.299 11.040 576 HB2 ASP 77 1HB ASP 77 -9.543 1.297 11.837 577 HB3 ASP 77 2HB ASP 77 -9.326 1.917 13.462 578 H GLU 78 H GLU 78 -7.000 5.166 11.745 579 HA GLU 78 HA GLU 78 -5.611 5.559 13.957 580 HB2 GLU 78 1HB GLU 78 -7.340 7.438 12.340 581 HB3 GLU 78 2HB GLU 78 -6.513 8.048 13.758 582 HG2 GLU 78 1HG GLU 78 -4.534 6.547 12.429 583 HG3 GLU 78 2HG GLU 78 -5.412 7.321 11.125 584 H LYS 79 H LYS 79 -9.137 5.359 13.734 585 HA LYS 79 HA LYS 79 -10.005 6.671 15.926 586 HB2 LYS 79 1HB LYS 79 -11.282 5.269 14.193 587 HB3 LYS 79 2HB LYS 79 -10.970 3.893 15.232 588 HG2 LYS 79 1HG LYS 79 -12.244 6.465 16.264 589 HG3 LYS 79 2HG LYS 79 -13.193 5.139 15.621 590 HD2 LYS 79 1HD LYS 79 -13.062 4.045 17.600 591 HD3 LYS 79 2HD LYS 79 -11.312 4.023 17.499 592 HE2 LYS 79 1HE LYS 79 -11.211 6.305 18.503 593 HE3 LYS 79 2HE LYS 79 -12.961 6.364 18.571 594 HZ1 LYS 79 1HZ LYS 79 -13.000 4.686 20.153 595 HZ2 LYS 79 2HZ LYS 79 -11.465 4.207 19.866 596 HZ3 LYS 79 3HZ LYS 79 -11.750 5.625 20.626 597 H THR 80 H THR 80 -9.347 3.107 16.102 598 HA THR 80 HA THR 80 -8.197 3.610 18.768 599 HB THR 80 HB THR 80 -10.568 2.568 18.648 600 HG1 THR 80 1HG THR 80 -8.233 1.114 19.678 601 HG21 THR 80 1HG2 THR 80 -8.849 0.328 17.481 602 HG22 THR 80 2HG2 THR 80 -10.363 0.000 18.356 603 HG23 THR 80 3HG2 THR 80 -10.392 0.954 16.853 604 H LYS 81 H LYS 81 -7.107 3.275 15.864 605 HA LYS 81 HA LYS 81 -5.255 2.439 14.997 606 HB2 LYS 81 1HB LYS 81 -4.814 1.852 17.893 607 HB3 LYS 81 2HB LYS 81 -3.768 1.055 16.736 608 HG2 LYS 81 1HG LYS 81 -4.274 4.068 16.784 609 HG3 LYS 81 2HG LYS 81 -2.900 3.295 17.549 610 HD2 LYS 81 1HD LYS 81 -2.478 2.227 15.171 611 HD3 LYS 81 2HD LYS 81 -3.540 3.493 14.589 612 HE2 LYS 81 1HE LYS 81 -1.232 4.208 16.422 613 HE3 LYS 81 2HE LYS 81 -0.926 3.920 14.721 614 HZ1 LYS 81 1HZ LYS 81 -1.510 6.034 14.514 615 HZ2 LYS 81 2HZ LYS 81 -3.056 5.532 14.662 616 HZ3 LYS 81 3HZ LYS 81 -2.258 6.111 15.963 617 H ASP 82 H ASP 82 -7.932 0.810 15.777 618 HA ASP 82 HA ASP 82 -7.329 -1.832 15.823 619 HB2 ASP 82 1HB ASP 82 -9.622 -0.230 15.465 620 HB3 ASP 82 2HB ASP 82 -9.587 -1.229 14.025 621 H LEU 83 H LEU 83 -8.338 -3.193 13.620 622 HA LEU 83 HA LEU 83 -6.540 -2.334 11.462 623 HB2 LEU 83 1HB LEU 83 -6.103 -4.499 12.758 624 HB3 LEU 83 2HB LEU 83 -7.519 -5.138 11.947 625 HG LEU 83 HG LEU 83 -5.128 -5.561 10.983 626 HD11 LEU 83 1HD1 LEU 83 -6.120 -5.473 8.626 627 HD12 LEU 83 2HD1 LEU 83 -6.971 -6.455 9.843 628 HD13 LEU 83 3HD1 LEU 83 -7.595 -4.847 9.401 629 HD21 LEU 83 1HD2 LEU 83 -4.547 -3.120 10.983 630 HD22 LEU 83 2HD2 LEU 83 -4.289 -3.956 9.433 631 HD23 LEU 83 3HD2 LEU 83 -5.710 -2.906 9.653 632 H ILE 84 H ILE 84 -7.488 -1.621 9.632 633 HA ILE 84 HA ILE 84 -10.348 -2.041 9.367 634 HB ILE 84 HB ILE 84 -8.500 -0.355 7.680 635 HG12 ILE 84 1HG1 ILE 84 -10.120 0.538 10.081 636 HG13 ILE 84 2HG1 ILE 84 -8.397 0.222 10.123 637 HG21 ILE 84 1HG2 ILE 84 -10.309 0.381 6.582 638 HG22 ILE 84 2HG2 ILE 84 -11.077 -1.110 7.177 639 HG23 ILE 84 3HG2 ILE 84 -11.314 0.423 8.050 640 HD11 ILE 84 1HD1 ILE 84 -9.360 2.677 9.629 641 HD12 ILE 84 2HD1 ILE 84 -7.868 2.095 8.851 642 HD13 ILE 84 3HD1 ILE 84 -9.410 2.056 7.962 643 H VAL 85 H VAL 85 -7.272 -2.593 7.537 644 HA VAL 85 HA VAL 85 -8.564 -4.875 6.285 645 HB VAL 85 HB VAL 85 -7.345 -2.554 4.783 646 HG11 VAL 85 1HG1 VAL 85 -7.698 -3.885 2.736 647 HG12 VAL 85 2HG1 VAL 85 -6.519 -4.648 3.829 648 HG13 VAL 85 3HG1 VAL 85 -8.181 -5.279 3.732 649 HG21 VAL 85 1HG2 VAL 85 -9.526 -1.920 4.950 650 HG22 VAL 85 2HG2 VAL 85 -9.695 -3.022 3.563 651 HG23 VAL 85 3HG2 VAL 85 -10.108 -3.583 5.201 652 H ASP 86 H ASP 86 -6.987 -6.406 5.389 653 HA ASP 86 HA ASP 86 -4.298 -5.864 6.367 654 HB2 ASP 86 1HB ASP 86 -5.021 -7.420 7.970 655 HB3 ASP 86 2HB ASP 86 -6.105 -8.226 6.853 656 H GLN 87 H GLN 87 -3.308 -5.569 4.322 657 HA GLN 87 HA GLN 87 -3.988 -7.485 2.258 658 HB2 GLN 87 1HB GLN 87 -4.045 -5.026 1.747 659 HB3 GLN 87 2HB GLN 87 -2.327 -4.932 2.079 660 HG2 GLN 87 1HG GLN 87 -2.663 -5.148 -0.339 661 HG3 GLN 87 2HG GLN 87 -1.886 -6.599 0.263 662 HE21 GLN 87 1HE2 GLN 87 -2.584 -8.248 -0.861 663 HE22 GLN 87 2HE2 GLN 87 -4.229 -8.636 -1.241 664 H THR 88 H THR 88 -2.475 -8.928 1.366 665 HA THR 88 HA THR 88 0.052 -9.098 2.857 666 HB THR 88 HB THR 88 -1.334 -11.077 3.116 667 HG1 THR 88 1HG THR 88 0.973 -11.347 2.487 668 HG21 THR 88 1HG2 THR 88 -1.523 -12.191 0.530 669 HG22 THR 88 2HG2 THR 88 -2.878 -11.549 1.489 670 HG23 THR 88 3HG2 THR 88 -2.045 -10.504 0.313 671 H ILE 89 H ILE 89 2.039 -9.279 1.819 672 HA ILE 89 HA ILE 89 2.231 -7.874 -0.597 673 HB ILE 89 HB ILE 89 3.898 -8.310 1.392 674 HG12 ILE 89 1HG1 ILE 89 5.765 -7.629 -0.143 675 HG13 ILE 89 2HG1 ILE 89 4.692 -7.895 -1.503 676 HG21 ILE 89 1HG2 ILE 89 5.448 -9.999 1.160 677 HG22 ILE 89 2HG2 ILE 89 3.955 -10.811 0.632 678 HG23 ILE 89 3HG2 ILE 89 5.119 -10.217 -0.576 679 HD11 ILE 89 1HD1 ILE 89 3.236 -6.126 -0.873 680 HD12 ILE 89 2HD1 ILE 89 3.851 -6.099 0.797 681 HD13 ILE 89 3HD1 ILE 89 4.861 -5.482 -0.533 682 H GLU 90 H GLU 90 1.488 -11.188 0.139 683 HA GLU 90 HA GLU 90 2.573 -12.366 -2.134 684 HB2 GLU 90 1HB GLU 90 0.162 -13.177 -0.450 685 HB3 GLU 90 2HB GLU 90 0.930 -14.210 -1.639 686 HG2 GLU 90 1HG GLU 90 2.186 -13.095 0.907 687 HG3 GLU 90 2HG GLU 90 1.830 -14.774 0.556 688 H LYS 91 H LYS 91 -0.930 -11.632 -1.444 689 HA LYS 91 HA LYS 91 -1.861 -12.047 -3.978 690 HB2 LYS 91 1HB LYS 91 -2.762 -10.508 -1.599 691 HB3 LYS 91 2HB LYS 91 -3.531 -10.103 -3.120 692 HG2 LYS 91 1HG LYS 91 -4.802 -11.973 -2.999 693 HG3 LYS 91 2HG LYS 91 -3.362 -12.972 -2.998 694 HD2 LYS 91 1HD LYS 91 -4.637 -13.462 -0.976 695 HD3 LYS 91 2HD LYS 91 -3.159 -12.643 -0.511 696 HE2 LYS 91 1HE LYS 91 -4.275 -10.799 0.279 697 HE3 LYS 91 2HE LYS 91 -5.396 -10.777 -1.068 698 HZ1 LYS 91 1HZ LYS 91 -6.872 -11.705 0.249 699 HZ2 LYS 91 2HZ LYS 91 -5.939 -13.032 0.434 700 HZ3 LYS 91 3HZ LYS 91 -5.807 -11.788 1.484 701 H VAL 92 H VAL 92 -0.732 -8.908 -2.540 702 HA VAL 92 HA VAL 92 -1.114 -7.234 -4.589 703 HB VAL 92 HB VAL 92 1.275 -7.526 -2.767 704 HG11 VAL 92 1HG1 VAL 92 2.070 -5.404 -3.391 705 HG12 VAL 92 2HG1 VAL 92 1.694 -6.201 -4.937 706 HG13 VAL 92 3HG1 VAL 92 0.572 -4.996 -4.262 707 HG21 VAL 92 1HG2 VAL 92 -1.185 -5.746 -2.672 708 HG22 VAL 92 2HG2 VAL 92 -0.830 -7.131 -1.611 709 HG23 VAL 92 3HG2 VAL 92 0.184 -5.670 -1.536 710 H SER 93 H SER 93 -1.010 -7.914 -6.709 711 HA SER 93 HA SER 93 1.345 -9.341 -7.537 712 HB2 SER 93 1HB SER 93 -1.169 -8.507 -9.051 713 HB3 SER 93 2HB SER 93 0.128 -9.454 -9.751 714 HG SER 93 HG SER 93 -0.987 -11.126 -8.999 715 H PHE 94 H PHE 94 -0.386 -6.226 -8.165 716 HA PHE 94 HA PHE 94 2.146 -5.182 -9.200 717 HB2 PHE 94 1HB PHE 94 0.513 -5.726 -11.055 718 HB3 PHE 94 2HB PHE 94 -0.724 -4.788 -10.242 719 HD1 PHE 94 1HD PHE 94 2.718 -4.394 -11.630 720 HD2 PHE 94 2HD PHE 94 -1.049 -2.589 -10.878 721 HE1 PHE 94 1HE PHE 94 3.451 -2.343 -12.879 722 HE2 PHE 94 2HE PHE 94 -0.316 -0.539 -12.127 723 HZ PHE 94 HZ PHE 94 1.925 -0.440 -13.112 724 H CYS 95 H CYS 95 2.415 -2.850 -8.927 725 HA CYS 95 HA CYS 95 0.419 -1.486 -7.373 726 HB2 CYS 95 1HB CYS 95 2.266 -0.851 -5.646 727 HB3 CYS 95 2HB CYS 95 1.382 -2.353 -5.456 728 HG CYS 95 HG CYS 95 4.456 -1.711 -6.059 729 H ALA 96 H ALA 96 0.430 0.649 -8.049 730 HA ALA 96 HA ALA 96 2.896 1.596 -9.340 731 HB1 ALA 96 1HB ALA 96 1.581 2.654 -11.036 732 HB2 ALA 96 2HB ALA 96 0.969 0.988 -10.902 733 HB3 ALA 96 3HB ALA 96 0.065 2.330 -10.161 734 HA PRO 97 HA PRO 97 2.525 4.961 -6.649 735 HB2 PRO 97 1HB PRO 97 3.908 6.901 -7.989 736 HB3 PRO 97 2HB PRO 97 4.688 5.633 -7.065 737 HG2 PRO 97 1HG PRO 97 4.441 5.904 -9.998 738 HG3 PRO 97 2HG PRO 97 5.551 4.909 -9.078 739 HD2 PRO 97 1HD PRO 97 3.195 4.027 -10.456 740 HD3 PRO 97 2HD PRO 97 4.241 3.055 -9.440 741 H ASP 98 H ASP 98 2.598 7.040 -9.424 742 HA ASP 98 HA ASP 98 -0.162 7.272 -9.658 743 HB2 ASP 98 1HB ASP 98 -0.598 9.385 -8.573 744 HB3 ASP 98 2HB ASP 98 0.152 8.343 -7.380 745 H ARG 99 H ARG 99 -0.304 10.049 -10.436 746 HA ARG 99 HA ARG 99 1.864 11.021 -11.755 747 HB2 ARG 99 1HB ARG 99 0.862 10.416 -14.192 748 HB3 ARG 99 2HB ARG 99 2.068 9.409 -13.415 749 HG2 ARG 99 1HG ARG 99 0.577 7.700 -12.994 750 HG3 ARG 99 2HG ARG 99 -0.746 8.794 -12.641 751 HD2 ARG 99 1HD ARG 99 -0.635 9.326 -15.248 752 HD3 ARG 99 2HD ARG 99 0.211 7.794 -15.337 753 HE ARG 99 HE ARG 99 -2.003 7.177 -13.802 754 HH11 ARG 99 2HH2 ARG 99 -1.582 8.724 -16.935 755 HH12 ARG 99 1HH2 ARG 99 -3.107 8.179 -17.552 756 HH21 ARG 99 2HH1 ARG 99 -4.014 6.458 -14.615 757 HH22 ARG 99 1HH1 ARG 99 -4.499 6.882 -16.223 758 H ASN 100 H ASN 100 -1.676 10.373 -11.913 759 HA ASN 100 HA ASN 100 -2.252 12.799 -13.222 760 HB2 ASN 100 1HB ASN 100 -4.190 11.199 -11.489 761 HB3 ASN 100 2HB ASN 100 -4.575 12.192 -12.880 762 HD21 ASN 100 1HD2 ASN 100 -5.128 9.373 -12.301 763 HD22 ASN 100 2HD2 ASN 100 -4.474 8.444 -13.609 764 H PHE 101 H PHE 101 -2.431 11.534 -9.824 765 HA PHE 101 HA PHE 101 -3.060 14.227 -8.891 766 HB2 PHE 101 1HB PHE 101 -2.847 11.573 -7.360 767 HB3 PHE 101 2HB PHE 101 -3.693 13.014 -6.831 768 HD1 PHE 101 1HD PHE 101 -3.821 10.112 -9.064 769 HD2 PHE 101 2HD PHE 101 -5.897 13.544 -7.679 770 HE1 PHE 101 1HE PHE 101 -5.947 9.230 -10.065 771 HE2 PHE 101 2HE PHE 101 -8.023 12.662 -8.680 772 HZ PHE 101 HZ PHE 101 -8.023 10.516 -9.861 773 H ASP 102 H ASP 102 -2.036 14.216 -6.331 774 HA ASP 102 HA ASP 102 0.814 14.144 -6.911 775 HB2 ASP 102 1HB ASP 102 -0.802 16.188 -5.910 776 HB3 ASP 102 2HB ASP 102 -0.095 15.528 -4.448 777 H ARG 103 H ARG 103 -1.829 12.939 -4.902 778 HA ARG 103 HA ARG 103 0.070 11.244 -3.549 779 HB2 ARG 103 1HB ARG 103 -1.233 11.614 -1.360 780 HB3 ARG 103 2HB ARG 103 -0.208 12.943 -1.867 781 HG2 ARG 103 1HG ARG 103 -2.502 13.661 -3.152 782 HG3 ARG 103 2HG ARG 103 -3.204 12.760 -1.823 783 HD2 ARG 103 1HD ARG 103 -1.720 14.165 -0.245 784 HD3 ARG 103 2HD ARG 103 -1.342 15.169 -1.630 785 HE ARG 103 HE ARG 103 -4.215 14.794 -1.307 786 HH11 ARG 103 2HH2 ARG 103 -1.451 16.669 -0.198 787 HH12 ARG 103 1HH2 ARG 103 -2.408 18.027 0.293 788 HH21 ARG 103 2HH1 ARG 103 -5.477 16.585 -0.659 789 HH22 ARG 103 1HH1 ARG 103 -4.713 17.979 0.029 790 H ALA 104 H ALA 104 -1.073 9.937 -5.373 791 HA ALA 104 HA ALA 104 -3.451 8.699 -4.197 792 HB1 ALA 104 1HB ALA 104 -3.903 10.427 -6.110 793 HB2 ALA 104 2HB ALA 104 -3.240 9.165 -7.175 794 HB3 ALA 104 3HB ALA 104 -4.682 8.828 -6.188 795 H PHE 105 H PHE 105 -2.414 6.829 -3.532 796 HA PHE 105 HA PHE 105 -0.909 5.420 -5.622 797 HB2 PHE 105 1HB PHE 105 0.547 5.807 -3.756 798 HB3 PHE 105 2HB PHE 105 -0.764 5.708 -2.598 799 HD1 PHE 105 2HD PHE 105 1.228 3.607 -4.936 800 HD2 PHE 105 1HD PHE 105 -1.110 3.742 -1.396 801 HE1 PHE 105 2HE PHE 105 1.852 1.228 -4.433 802 HE2 PHE 105 1HE PHE 105 -0.485 1.363 -0.893 803 HZ PHE 105 HZ PHE 105 0.988 0.135 -2.418 804 H SER 106 H SER 106 -1.567 3.384 -6.248 805 HA SER 106 HA SER 106 -3.462 2.026 -4.550 806 HB2 SER 106 1HB SER 106 -5.019 1.612 -6.451 807 HB3 SER 106 2HB SER 106 -4.921 3.310 -6.033 808 HG SER 106 HG SER 106 -3.971 3.779 -7.926 809 H TYR 107 H TYR 107 -3.419 -0.277 -4.843 810 HA TYR 107 HA TYR 107 -1.521 -1.230 -6.871 811 HB2 TYR 107 1HB TYR 107 -0.565 -2.672 -5.092 812 HB3 TYR 107 2HB TYR 107 -0.559 -1.024 -4.498 813 HD1 TYR 107 1HD TYR 107 -2.731 -4.084 -4.474 814 HD2 TYR 107 2HD TYR 107 -1.426 -0.588 -2.381 815 HE1 TYR 107 1HE TYR 107 -4.047 -4.811 -2.424 816 HE2 TYR 107 2HE TYR 107 -2.746 -1.327 -0.338 817 HH TYR 107 HH TYR 107 -5.130 -3.410 -0.391 818 H ILE 108 H ILE 108 -1.926 -3.357 -7.675 819 HA ILE 108 HA ILE 108 -4.699 -4.135 -7.345 820 HB ILE 108 HB ILE 108 -2.534 -5.035 -9.248 821 HG12 ILE 108 1HG1 ILE 108 -4.898 -3.167 -9.569 822 HG13 ILE 108 2HG1 ILE 108 -3.198 -2.753 -9.670 823 HG21 ILE 108 1HG2 ILE 108 -5.462 -5.675 -9.535 824 HG22 ILE 108 2HG2 ILE 108 -4.056 -6.422 -10.332 825 HG23 ILE 108 3HG2 ILE 108 -4.372 -6.733 -8.608 826 HD11 ILE 108 1HD1 ILE 108 -4.528 -4.776 -11.525 827 HD12 ILE 108 2HD1 ILE 108 -4.350 -3.049 -11.916 828 HD13 ILE 108 3HD1 ILE 108 -2.905 -4.064 -11.693 829 H CYS 109 H CYS 109 -5.393 -6.179 -6.600 830 HA CYS 109 HA CYS 109 -3.411 -8.059 -5.732 831 HB2 CYS 109 1HB CYS 109 -3.877 -8.040 -3.399 832 HB3 CYS 109 2HB CYS 109 -3.508 -6.387 -3.848 833 HG CYS 109 HG CYS 109 -6.310 -7.873 -3.049 834 H ARG 110 H ARG 110 -4.648 -10.029 -4.708 835 HA ARG 110 HA ARG 110 -7.107 -10.278 -6.221 836 HB2 ARG 110 1HB ARG 110 -5.361 -11.962 -6.708 837 HB3 ARG 110 2HB ARG 110 -5.247 -12.385 -5.012 838 HG2 ARG 110 1HG ARG 110 -7.573 -13.220 -5.018 839 HG3 ARG 110 2HG ARG 110 -7.791 -12.690 -6.674 840 HD2 ARG 110 1HD ARG 110 -7.144 -14.805 -7.251 841 HD3 ARG 110 2HD ARG 110 -5.516 -14.258 -6.907 842 HE ARG 110 HE ARG 110 -6.897 -15.149 -4.499 843 HH11 ARG 110 2HH2 ARG 110 -5.082 -16.249 -7.306 844 HH12 ARG 110 1HH2 ARG 110 -4.552 -17.714 -6.548 845 HH21 ARG 110 2HH1 ARG 110 -6.197 -17.081 -3.499 846 HH22 ARG 110 1HH1 ARG 110 -5.190 -18.190 -4.368 847 H ASP 111 H ASP 111 -8.735 -9.491 -4.836 848 HA ASP 111 HA ASP 111 -8.816 -9.498 -2.183 849 HB2 ASP 111 1HB ASP 111 -10.558 -8.615 -3.824 850 HB3 ASP 111 2HB ASP 111 -11.197 -10.242 -3.945 851 H GLY 112 H GLY 112 -9.001 -11.058 -0.540 852 HA2 GLY 112 1HA GLY 112 -9.233 -13.854 -1.377 853 HA3 GLY 112 2HA GLY 112 -8.651 -13.246 0.160 854 H THR 113 H THR 113 -11.371 -11.407 -0.598 855 HA THR 113 HA THR 113 -13.031 -13.106 1.121 856 HB THR 113 HB THR 113 -14.331 -10.828 1.219 857 HG1 THR 113 1HG THR 113 -12.974 -9.081 0.448 858 HG21 THR 113 1HG2 THR 113 -11.525 -11.292 2.297 859 HG22 THR 113 2HG2 THR 113 -12.341 -9.735 2.576 860 HG23 THR 113 3HG2 THR 113 -13.063 -11.242 3.191 861 H THR 114 H THR 114 -13.023 -11.358 -2.028 862 HA THR 114 HA THR 114 -15.575 -12.641 -2.659 863 HB THR 114 HB THR 114 -13.926 -10.390 -3.914 864 HG1 THR 114 1HG THR 114 -15.979 -9.310 -3.192 865 HG21 THR 114 1HG2 THR 114 -15.760 -10.062 -5.481 866 HG22 THR 114 2HG2 THR 114 -15.259 -11.763 -5.637 867 HG23 THR 114 3HG2 THR 114 -16.720 -11.347 -4.709 868 H ARG 115 H ARG 115 -12.153 -13.002 -3.131 869 HA ARG 115 HA ARG 115 -11.038 -14.576 -4.124 870 HB2 ARG 115 1HB ARG 115 -13.617 -15.726 -5.289 871 HB3 ARG 115 2HB ARG 115 -12.098 -16.569 -5.062 872 HG2 ARG 115 1HG ARG 115 -12.640 -17.110 -2.927 873 HG3 ARG 115 2HG ARG 115 -12.934 -15.430 -2.522 874 HD2 ARG 115 1HD ARG 115 -15.140 -15.961 -2.349 875 HD3 ARG 115 2HD ARG 115 -15.164 -16.114 -4.095 876 HE ARG 115 HE ARG 115 -15.065 -18.317 -2.139 877 HH11 ARG 115 2HH2 ARG 115 -14.660 -17.365 -5.502 878 HH12 ARG 115 1HH2 ARG 115 -14.875 -18.970 -6.116 879 HH21 ARG 115 2HH1 ARG 115 -15.349 -20.436 -2.948 880 HH22 ARG 115 1HH1 ARG 115 -15.270 -20.729 -4.653 881 H ARG 116 H ARG 116 -11.219 -12.107 -5.350 882 HA ARG 116 HA ARG 116 -10.980 -12.886 -8.104 883 HB2 ARG 116 1HB ARG 116 -12.385 -11.032 -8.935 884 HB3 ARG 116 2HB ARG 116 -13.338 -12.075 -7.899 885 HG2 ARG 116 1HG ARG 116 -13.676 -10.426 -6.354 886 HG3 ARG 116 2HG ARG 116 -11.992 -9.941 -6.372 887 HD2 ARG 116 1HD ARG 116 -13.802 -8.251 -7.256 888 HD3 ARG 116 2HD ARG 116 -12.300 -8.414 -8.144 889 HE ARG 116 HE ARG 116 -13.450 -9.520 -9.895 890 HH11 ARG 116 2HH2 ARG 116 -15.570 -9.041 -7.128 891 HH12 ARG 116 1HH2 ARG 116 -17.010 -9.450 -7.999 892 HH21 ARG 116 2HH1 ARG 116 -15.350 -10.060 -11.045 893 HH22 ARG 116 1HH1 ARG 116 -16.884 -10.033 -10.242 894 H TRP 117 H TRP 117 -10.449 -10.451 -9.304 895 HA TRP 117 HA TRP 117 -8.091 -9.595 -7.825 896 HB2 TRP 117 1HB TRP 117 -8.852 -8.831 -10.637 897 HB3 TRP 117 2HB TRP 117 -7.274 -8.760 -9.877 898 HD1 TRP 117 HD TRP 117 -9.650 -11.260 -11.563 899 HE1 TRP 117 1HE TRP 117 -8.433 -13.540 -12.098 900 HE3 TRP 117 3HE TRP 117 -5.388 -10.191 -9.004 901 HZ2 TRP 117 2HZ TRP 117 -5.882 -14.616 -11.407 902 HZ3 TRP 117 3HZ TRP 117 -3.583 -11.911 -8.984 903 HH2 TRP 117 HH TRP 117 -3.779 -14.061 -10.131 904 H ILE 118 H ILE 118 -8.176 -7.753 -6.613 905 HA ILE 118 HA ILE 118 -10.091 -5.698 -7.457 906 HB ILE 118 HB ILE 118 -9.677 -6.851 -4.707 907 HG12 ILE 118 1HG1 ILE 118 -11.376 -7.778 -6.429 908 HG13 ILE 118 2HG1 ILE 118 -11.899 -7.486 -4.782 909 HG21 ILE 118 1HG2 ILE 118 -9.589 -4.561 -4.243 910 HG22 ILE 118 2HG2 ILE 118 -10.781 -4.160 -5.502 911 HG23 ILE 118 3HG2 ILE 118 -11.302 -4.987 -4.014 912 HD11 ILE 118 1HD1 ILE 118 -12.375 -5.702 -7.207 913 HD12 ILE 118 2HD1 ILE 118 -13.593 -6.557 -6.232 914 HD13 ILE 118 3HD1 ILE 118 -12.705 -5.180 -5.537 915 H CYS 119 H CYS 119 -9.443 -3.512 -6.989 916 HA CYS 119 HA CYS 119 -6.563 -3.338 -6.474 917 HB2 CYS 119 1HB CYS 119 -7.217 -2.710 -8.782 918 HB3 CYS 119 2HB CYS 119 -8.282 -1.473 -8.144 919 HG CYS 119 HG CYS 119 -6.311 -0.336 -6.660 920 H HIS 120 H HIS 120 -5.876 -1.819 -4.898 921 HA HIS 120 HA HIS 120 -8.067 -0.463 -3.500 922 HB2 HIS 120 1HB HIS 120 -5.561 -1.722 -2.352 923 HB3 HIS 120 2HB HIS 120 -6.671 -0.719 -1.439 924 HD1 HIS 120 1HD HIS 120 -8.452 -1.968 -0.213 925 HD2 HIS 120 2HD HIS 120 -7.022 -4.110 -3.524 926 HE1 HIS 120 1HE HIS 120 -9.632 -4.230 -0.165 927 H CYS 121 H CYS 121 -7.884 1.730 -3.244 928 HA CYS 121 HA CYS 121 -5.352 2.880 -4.158 929 HB2 CYS 121 1HB CYS 121 -7.973 4.375 -4.065 930 HB3 CYS 121 2HB CYS 121 -6.527 4.753 -4.979 931 HG CYS 121 HG CYS 121 -6.942 1.932 -5.874 932 H PHE 122 H PHE 122 -4.629 4.861 -2.966 933 HA PHE 122 HA PHE 122 -5.876 5.282 -0.388 934 HB2 PHE 122 1HB PHE 122 -2.935 4.482 -0.823 935 HB3 PHE 122 2HB PHE 122 -3.629 4.914 0.728 936 HD1 PHE 122 1HD PHE 122 -3.526 2.345 -1.896 937 HD2 PHE 122 2HD PHE 122 -4.970 3.349 1.966 938 HE1 PHE 122 1HE PHE 122 -4.128 -0.059 -1.496 939 HE2 PHE 122 2HE PHE 122 -5.572 0.945 2.366 940 HZ PHE 122 HZ PHE 122 -5.144 -0.730 0.630 941 H MET 123 H MET 123 -6.099 7.461 -0.264 942 HA MET 123 HA MET 123 -4.309 9.088 -1.811 943 HB2 MET 123 1HB MET 123 -6.982 9.316 -0.520 944 HB3 MET 123 2HB MET 123 -6.026 10.774 -0.349 945 HG2 MET 123 1HG MET 123 -6.010 9.550 -3.081 946 HG3 MET 123 2HG MET 123 -7.551 10.201 -2.560 947 HE1 MET 123 1HE MET 123 -4.548 12.302 -4.660 948 HE2 MET 123 2HE MET 123 -5.291 10.685 -4.685 949 HE3 MET 123 3HE MET 123 -6.269 12.120 -5.075 950 H ALA 124 H ALA 124 -2.294 9.258 -0.826 951 HA ALA 124 HA ALA 124 -1.656 9.150 1.781 952 HB1 ALA 124 1HB ALA 124 -0.198 11.298 0.423 953 HB2 ALA 124 2HB ALA 124 0.375 9.706 0.975 954 HB3 ALA 124 3HB ALA 124 -0.410 9.867 -0.614 955 H VAL 125 H VAL 125 -1.075 10.878 3.385 956 HA VAL 125 HA VAL 125 -3.209 12.868 3.402 957 HB VAL 125 HB VAL 125 -1.442 11.629 5.503 958 HG11 VAL 125 1HG1 VAL 125 -3.237 13.260 6.860 959 HG12 VAL 125 2HG1 VAL 125 -1.495 13.556 6.646 960 HG13 VAL 125 3HG1 VAL 125 -2.666 14.284 5.520 961 HG21 VAL 125 1HG2 VAL 125 -4.306 11.761 6.017 962 HG22 VAL 125 2HG2 VAL 125 -3.948 10.948 4.475 963 HG23 VAL 125 3HG2 VAL 125 -3.215 10.355 5.985 964 H LYS 126 H LYS 126 0.326 12.626 4.235 965 HA LYS 126 HA LYS 126 0.626 15.291 3.062 966 HB2 LYS 126 1HB LYS 126 2.130 15.916 4.929 967 HB3 LYS 126 2HB LYS 126 0.465 15.694 5.426 968 HG2 LYS 126 1HG LYS 126 1.121 13.267 6.048 969 HG3 LYS 126 2HG LYS 126 2.788 13.762 5.830 970 HD2 LYS 126 1HD LYS 126 2.473 15.571 7.531 971 HD3 LYS 126 2HD LYS 126 0.806 15.079 7.748 972 HE2 LYS 126 1HE LYS 126 1.467 13.539 9.275 973 HE3 LYS 126 2HE LYS 126 2.379 12.705 8.033 974 HZ1 LYS 126 1HZ LYS 126 3.887 14.873 8.689 975 HZ2 LYS 126 2HZ LYS 126 3.328 14.329 10.124 976 HZ3 LYS 126 3HZ LYS 126 4.162 13.328 9.140 977 H ASP 127 H ASP 127 1.050 12.838 1.735 978 HA ASP 127 HA ASP 127 3.885 13.093 1.333 979 HB2 ASP 127 1HB ASP 127 2.727 10.300 1.537 980 HB3 ASP 127 2HB ASP 127 4.408 10.788 1.610 981 H THR 128 H THR 128 4.347 11.215 -0.601 982 HA THR 128 HA THR 128 2.144 11.596 -2.522 983 HB THR 128 HB THR 128 4.165 12.945 -3.047 984 HG1 THR 128 1HG THR 128 4.588 11.652 -5.127 985 HG21 THR 128 1HG2 THR 128 5.997 11.715 -2.034 986 HG22 THR 128 2HG2 THR 128 5.532 10.216 -2.873 987 HG23 THR 128 3HG2 THR 128 6.222 11.573 -3.794 988 H GLY 129 H GLY 129 1.474 9.881 -3.795 989 HA2 GLY 129 1HA GLY 129 1.356 7.390 -2.781 990 HA3 GLY 129 2HA GLY 129 1.310 7.736 -4.498 991 H GLU 130 H GLU 130 4.100 8.845 -4.568 992 HA GLU 130 HA GLU 130 5.430 6.635 -5.347 993 HB2 GLU 130 1HB GLU 130 6.022 9.412 -4.920 994 HB3 GLU 130 2HB GLU 130 7.349 8.491 -4.241 995 HG2 GLU 130 1HG GLU 130 7.799 8.949 -6.613 996 HG3 GLU 130 2HG GLU 130 7.578 7.225 -6.382 997 H ARG 131 H ARG 131 6.028 8.372 -2.198 998 HA ARG 131 HA ARG 131 7.702 6.523 -1.149 999 HB2 ARG 131 1HB ARG 131 5.787 8.543 0.016 1000 HB3 ARG 131 2HB ARG 131 6.510 7.394 1.124 1001 HG2 ARG 131 1HG ARG 131 8.338 8.738 1.183 1002 HG3 ARG 131 2HG ARG 131 8.680 8.229 -0.459 1003 HD2 ARG 131 1HD ARG 131 8.545 10.499 -0.869 1004 HD3 ARG 131 2HD ARG 131 6.837 10.141 -1.017 1005 HE ARG 131 HE ARG 131 7.258 10.604 1.722 1006 HH11 ARG 131 2HH2 ARG 131 7.664 12.420 -1.264 1007 HH12 ARG 131 1HH2 ARG 131 7.398 13.959 -0.514 1008 HH21 ARG 131 2HH1 ARG 131 6.907 12.633 2.713 1009 HH22 ARG 131 1HH1 ARG 131 6.965 14.081 1.763 1010 H LEU 132 H LEU 132 4.119 6.560 -1.277 1011 HA LEU 132 HA LEU 132 3.681 4.499 0.568 1012 HB2 LEU 132 1HB LEU 132 2.097 5.679 -1.697 1013 HB3 LEU 132 2HB LEU 132 1.499 4.299 -0.798 1014 HG LEU 132 HG LEU 132 2.093 5.943 1.266 1015 HD11 LEU 132 1HD1 LEU 132 0.835 8.098 -0.105 1016 HD12 LEU 132 2HD1 LEU 132 2.424 8.058 0.696 1017 HD13 LEU 132 3HD1 LEU 132 2.285 7.629 -1.026 1018 HD21 LEU 132 1HD2 LEU 132 -0.499 6.103 -0.293 1019 HD22 LEU 132 2HD2 LEU 132 -0.042 4.751 0.770 1020 HD23 LEU 132 3HD2 LEU 132 -0.258 6.382 1.448 1021 H SER 133 H SER 133 4.528 4.553 -2.903 1022 HA SER 133 HA SER 133 4.053 1.763 -3.171 1023 HB2 SER 133 1HB SER 133 4.460 2.089 -5.427 1024 HB3 SER 133 2HB SER 133 4.039 3.728 -4.972 1025 HG SER 133 HG SER 133 6.043 3.500 -6.268 1026 H HIS 134 H HIS 134 6.649 3.850 -2.093 1027 HA HIS 134 HA HIS 134 8.789 2.128 -2.738 1028 HB2 HIS 134 1HB HIS 134 9.144 4.491 -2.384 1029 HB3 HIS 134 2HB HIS 134 8.510 4.397 -0.753 1030 HD1 HIS 134 1HD HIS 134 10.171 3.957 1.091 1031 HD2 HIS 134 2HD HIS 134 11.691 3.007 -2.702 1032 HE1 HIS 134 1HE HIS 134 12.635 3.387 1.430 1033 H ALA 135 H ALA 135 6.179 1.770 -0.622 1034 HA ALA 135 HA ALA 135 7.737 0.276 1.344 1035 HB1 ALA 135 1HB ALA 135 5.930 2.005 1.939 1036 HB2 ALA 135 2HB ALA 135 4.750 0.813 1.343 1037 HB3 ALA 135 3HB ALA 135 5.802 0.412 2.722 1038 H VAL 136 H VAL 136 4.727 -0.140 -0.663 1039 HA VAL 136 HA VAL 136 4.456 -2.841 -0.309 1040 HB VAL 136 HB VAL 136 3.491 -2.607 -2.761 1041 HG11 VAL 136 1HG1 VAL 136 2.326 -2.778 -0.457 1042 HG12 VAL 136 2HG1 VAL 136 2.132 -1.013 -0.587 1043 HG13 VAL 136 3HG1 VAL 136 1.412 -2.081 -1.816 1044 HG21 VAL 136 1HG2 VAL 136 4.731 -0.168 -2.601 1045 HG22 VAL 136 2HG2 VAL 136 3.366 -0.552 -3.677 1046 HG23 VAL 136 3HG2 VAL 136 3.069 0.239 -2.111 1047 H GLY 137 H GLY 137 6.455 -1.050 -2.730 1048 HA2 GLY 137 1HA GLY 137 7.372 -3.357 -4.088 1049 HA3 GLY 137 2HA GLY 137 8.074 -1.752 -4.127 1050 H CYS 138 H CYS 138 8.545 -1.479 -1.243 1051 HA CYS 138 HA CYS 138 11.055 -2.721 -1.136 1052 HB2 CYS 138 1HB CYS 138 9.438 -0.970 0.642 1053 HB3 CYS 138 2HB CYS 138 10.656 -1.950 1.433 1054 HG CYS 138 HG CYS 138 11.585 0.471 0.909 1055 H ALA 139 H ALA 139 8.077 -3.144 0.930 1056 HA ALA 139 HA ALA 139 8.851 -5.299 2.373 1057 HB1 ALA 139 1HB ALA 139 6.083 -5.513 1.400 1058 HB2 ALA 139 2HB ALA 139 6.695 -5.234 3.048 1059 HB3 ALA 139 3HB ALA 139 6.514 -3.867 1.923 1060 H PHE 140 H PHE 140 7.739 -5.199 -1.038 1061 HA PHE 140 HA PHE 140 7.370 -7.912 -1.411 1062 HB2 PHE 140 1HB PHE 140 7.403 -5.482 -2.872 1063 HB3 PHE 140 2HB PHE 140 8.689 -6.406 -3.622 1064 HD1 PHE 140 1HD PHE 140 5.084 -6.481 -2.785 1065 HD2 PHE 140 2HD PHE 140 8.204 -8.170 -5.113 1066 HE1 PHE 140 1HE PHE 140 3.389 -7.736 -4.147 1067 HE2 PHE 140 2HE PHE 140 6.509 -9.425 -6.475 1068 HZ PHE 140 HZ PHE 140 4.122 -9.192 -5.975 1069 H ALA 141 H ALA 141 10.317 -5.925 -2.207 1070 HA ALA 141 HA ALA 141 11.906 -8.067 -2.944 1071 HB1 ALA 141 1HB ALA 141 12.513 -5.794 -3.472 1072 HB2 ALA 141 2HB ALA 141 12.558 -5.347 -1.750 1073 HB3 ALA 141 3HB ALA 141 13.784 -6.453 -2.415 1074 H ALA 142 H ALA 142 10.918 -6.860 0.240 1075 HA ALA 142 HA ALA 142 12.971 -8.227 1.667 1076 HB1 ALA 142 1HB ALA 142 11.593 -6.158 2.362 1077 HB2 ALA 142 2HB ALA 142 10.292 -7.309 2.751 1078 HB3 ALA 142 3HB ALA 142 11.855 -7.414 3.595 1079 H CYS 143 H CYS 143 9.407 -8.784 1.189 1080 HA CYS 143 HA CYS 143 9.305 -11.190 2.516 1081 HB2 CYS 143 1HB CYS 143 7.357 -9.800 1.720 1082 HB3 CYS 143 2HB CYS 143 7.626 -10.427 0.106 1083 HG CYS 143 HG CYS 143 6.040 -12.161 0.523 1084 H LEU 144 H LEU 144 9.833 -10.459 -1.007 1085 HA LEU 144 HA LEU 144 10.072 -13.062 -1.883 1086 HB2 LEU 144 1HB LEU 144 10.999 -10.393 -2.822 1087 HB3 LEU 144 2HB LEU 144 11.699 -11.811 -3.579 1088 HG LEU 144 HG LEU 144 8.714 -11.350 -3.380 1089 HD11 LEU 144 1HD1 LEU 144 10.455 -10.761 -5.784 1090 HD12 LEU 144 2HD1 LEU 144 8.712 -10.455 -5.589 1091 HD13 LEU 144 3HD1 LEU 144 9.891 -9.523 -4.635 1092 HD21 LEU 144 1HD2 LEU 144 9.663 -13.694 -3.741 1093 HD22 LEU 144 2HD2 LEU 144 8.461 -13.108 -4.916 1094 HD23 LEU 144 3HD2 LEU 144 10.191 -13.109 -5.338 1095 H GLU 145 H GLU 145 12.596 -10.819 -0.579 1096 HA GLU 145 HA GLU 145 14.775 -12.340 -0.985 1097 HB2 GLU 145 1HB GLU 145 14.023 -10.136 0.714 1098 HB3 GLU 145 2HB GLU 145 14.989 -11.245 1.668 1099 HG2 GLU 145 1HG GLU 145 16.208 -11.011 -0.945 1100 HG3 GLU 145 2HG GLU 145 15.879 -9.395 -0.352 1101 H ARG 146 H ARG 146 12.055 -13.015 1.115 1102 HA ARG 146 HA ARG 146 13.591 -14.968 2.578 1103 HB2 ARG 146 1HB ARG 146 10.800 -13.798 2.849 1104 HB3 ARG 146 2HB ARG 146 11.190 -15.297 3.670 1105 HG2 ARG 146 1HG ARG 146 12.418 -14.225 5.261 1106 HG3 ARG 146 2HG ARG 146 13.308 -13.303 4.066 1107 HD2 ARG 146 1HD ARG 146 12.064 -11.449 4.486 1108 HD3 ARG 146 2HD ARG 146 10.576 -12.317 4.161 1109 HE ARG 146 HE ARG 146 10.224 -12.429 6.459 1110 HH11 ARG 146 2HH2 ARG 146 13.682 -12.126 5.881 1111 HH12 ARG 146 1HH2 ARG 146 14.087 -12.058 7.564 1112 HH21 ARG 146 2HH1 ARG 146 10.758 -12.339 8.679 1113 HH22 ARG 146 1HH1 ARG 146 12.412 -12.180 9.166 1114 H LYS 147 H LYS 147 11.199 -14.630 -0.016 1115 HA LYS 147 HA LYS 147 10.562 -17.453 0.024 1116 HB2 LYS 147 1HB LYS 147 9.672 -15.330 -1.945 1117 HB3 LYS 147 2HB LYS 147 8.970 -16.916 -1.704 1118 HG2 LYS 147 1HG LYS 147 8.354 -16.292 0.639 1119 HG3 LYS 147 2HG LYS 147 9.065 -14.707 0.406 1120 HD2 LYS 147 1HD LYS 147 6.803 -15.800 -1.329 1121 HD3 LYS 147 2HD LYS 147 6.533 -14.814 0.093 1122 HE2 LYS 147 1HE LYS 147 7.736 -12.928 -0.887 1123 HE3 LYS 147 2HE LYS 147 8.303 -13.911 -2.223 1124 HZ1 LYS 147 1HZ LYS 147 6.042 -14.159 -2.949 1125 HZ2 LYS 147 2HZ LYS 147 5.479 -13.305 -1.676 1126 HZ3 LYS 147 3HZ LYS 147 6.396 -12.571 -2.811 1127 H GLN 148 H GLN 148 11.959 -15.076 -2.349 1128 HA GLN 148 HA GLN 148 12.775 -16.994 -4.138 1129 HB2 GLN 148 1HB GLN 148 13.961 -14.244 -3.555 1130 HB3 GLN 148 2HB GLN 148 14.341 -15.197 -4.976 1131 HG2 GLN 148 1HG GLN 148 11.502 -15.170 -4.845 1132 HG3 GLN 148 2HG GLN 148 11.991 -13.536 -4.444 1133 HE21 GLN 148 1HE2 GLN 148 13.648 -12.535 -5.858 1134 HE22 GLN 148 2HE2 GLN 148 13.566 -12.818 -7.565 1135 H LYS 149 H LYS 149 14.846 -17.992 -4.565 1136 HA LYS 149 HA LYS 149 16.083 -19.190 -2.512 1137 HB2 LYS 149 1HB LYS 149 17.241 -18.330 -5.175 1138 HB3 LYS 149 2HB LYS 149 18.062 -19.414 -4.072 1139 HG2 LYS 149 1HG LYS 149 16.126 -20.982 -4.146 1140 HG3 LYS 149 2HG LYS 149 15.266 -19.888 -5.211 1141 HD2 LYS 149 1HD LYS 149 17.975 -20.512 -6.206 1142 HD3 LYS 149 2HD LYS 149 16.995 -21.951 -6.007 1143 HE2 LYS 149 1HE LYS 149 15.304 -21.156 -7.507 1144 HE3 LYS 149 2HE LYS 149 15.870 -19.500 -7.411 1145 HZ1 LYS 149 1HZ LYS 149 16.859 -21.660 -9.007 1146 HZ2 LYS 149 2HZ LYS 149 16.909 -20.052 -9.284 1147 HZ3 LYS 149 3HZ LYS 149 18.027 -20.750 -8.320 1148 H ARG 150 H ARG 150 17.946 -18.865 -1.201 1149 HA ARG 150 HA ARG 150 18.163 -16.552 0.042 1150 HB2 ARG 150 1HB ARG 150 20.627 -17.247 0.519 1151 HB3 ARG 150 2HB ARG 150 19.376 -18.399 0.940 1152 HG2 ARG 150 1HG ARG 150 19.747 -19.634 -1.173 1153 HG3 ARG 150 2HG ARG 150 20.918 -18.440 -1.697 1154 HD2 ARG 150 1HD ARG 150 22.313 -18.999 0.361 1155 HD3 ARG 150 2HD ARG 150 21.183 -20.289 0.723 1156 HE ARG 150 HE ARG 150 21.856 -20.833 -1.887 1157 HH11 ARG 150 2HH2 ARG 150 23.785 -20.187 0.984 1158 HH12 ARG 150 1HH2 ARG 150 25.123 -21.153 0.459 1159 HH21 ARG 150 2HH1 ARG 150 23.622 -22.107 -2.581 1160 HH22 ARG 150 1HH1 ARG 150 25.030 -22.253 -1.583 1161 H SER 151 H SER 151 19.357 -14.577 -0.124 1162 HA SER 151 HA SER 151 21.318 -14.212 -2.083 1163 HB2 SER 151 1HB SER 151 18.509 -13.257 -2.712 1164 HB3 SER 151 2HB SER 151 19.897 -12.381 -3.328 1165 HG SER 151 HG SER 151 18.859 -14.271 -4.627 1166 H GLY 152 H GLY 152 22.103 -13.581 0.154 1167 HA2 GLY 152 1HA GLY 152 22.924 -11.815 1.343 1168 HA3 GLY 152 2HA GLY 152 21.854 -10.721 0.490 1169 HA PRO 153 HA PRO 153 20.161 -11.867 4.684 1170 HB2 PRO 153 1HB PRO 153 21.180 -9.919 6.308 1171 HB3 PRO 153 2HB PRO 153 21.858 -11.532 6.204 1172 HG2 PRO 153 1HG PRO 153 22.893 -9.009 5.063 1173 HG3 PRO 153 2HG PRO 153 23.740 -10.518 5.339 1174 HD2 PRO 153 1HD PRO 153 22.781 -9.523 2.825 1175 HD3 PRO 153 2HD PRO 153 23.524 -11.083 3.120 1176 H SER 154 H SER 154 18.610 -10.611 6.109 1177 HA SER 154 HA SER 154 17.640 -8.401 4.471 1178 HB2 SER 154 1HB SER 154 16.342 -10.843 4.919 1179 HB3 SER 154 2HB SER 154 15.582 -9.770 6.078 1180 HG SER 154 HG SER 154 14.879 -8.414 4.436 1181 H SER 155 H SER 155 17.062 -9.938 7.728 1182 HA SER 155 HA SER 155 18.102 -7.753 9.107 1183 HB2 SER 155 1HB SER 155 15.864 -6.826 8.177 1184 HB3 SER 155 2HB SER 155 15.072 -7.914 9.299 1185 HG SER 155 HG SER 155 16.986 -6.609 10.695 1186 H GLY 156 H GLY 156 15.305 -10.078 9.367 1187 HA2 GLY 156 1HA GLY 156 15.996 -10.822 12.046 1188 HA3 GLY 156 2HA GLY 156 14.761 -11.526 11.022 Start of MODEL 9 1 H1 GLY 1 H GLY 1 27.957 -19.777 3.144 2 HA2 GLY 1 1HA GLY 1 26.531 -21.168 1.829 3 HA3 GLY 1 2HA GLY 1 25.414 -21.276 3.175 4 H SER 2 H SER 2 24.508 -19.056 3.984 5 HA SER 2 HA SER 2 24.334 -17.164 1.806 6 HB2 SER 2 1HB SER 2 21.877 -18.367 3.157 7 HB3 SER 2 2HB SER 2 21.854 -17.072 1.977 8 HG SER 2 HG SER 2 21.582 -18.748 0.631 9 H SER 3 H SER 3 24.288 -15.042 2.565 10 HA SER 3 HA SER 3 23.272 -14.494 5.157 11 HB2 SER 3 1HB SER 3 26.159 -14.916 4.768 12 HB3 SER 3 2HB SER 3 25.812 -13.321 5.407 13 HG SER 3 HG SER 3 26.066 -15.309 6.927 14 H GLY 4 H GLY 4 23.283 -12.088 5.584 15 HA2 GLY 4 1HA GLY 4 23.442 -9.893 4.923 16 HA3 GLY 4 2HA GLY 4 24.052 -10.387 3.356 17 H SER 5 H SER 5 21.816 -8.490 4.130 18 HA SER 5 HA SER 5 19.933 -9.571 2.257 19 HB2 SER 5 1HB SER 5 18.777 -10.419 4.109 20 HB3 SER 5 2HB SER 5 19.307 -9.129 5.171 21 HG SER 5 HG SER 5 17.002 -9.046 4.482 22 H SER 6 H SER 6 20.112 -7.888 0.793 23 HA SER 6 HA SER 6 20.074 -5.887 -0.048 24 HB2 SER 6 1HB SER 6 18.200 -5.524 2.301 25 HB3 SER 6 2HB SER 6 18.587 -4.148 1.287 26 HG SER 6 HG SER 6 16.682 -5.824 0.793 27 H GLY 7 H GLY 7 20.632 -3.425 0.380 28 HA2 GLY 7 1HA GLY 7 21.811 -2.444 2.633 29 HA3 GLY 7 2HA GLY 7 23.082 -3.386 1.880 30 H ALA 8 H ALA 8 20.430 -1.175 0.714 31 HA ALA 8 HA ALA 8 22.386 0.008 -1.111 32 HB1 ALA 8 1HB ALA 8 20.197 -0.941 -1.957 33 HB2 ALA 8 2HB ALA 8 19.363 0.336 -1.040 34 HB3 ALA 8 3HB ALA 8 20.470 0.770 -2.364 35 H SER 9 H SER 9 22.006 2.483 -1.461 36 HA SER 9 HA SER 9 21.902 3.624 1.211 37 HB2 SER 9 1HB SER 9 23.587 4.056 -1.150 38 HB3 SER 9 2HB SER 9 22.903 5.565 -0.580 39 HG SER 9 HG SER 9 24.132 3.710 1.252 40 H ARG 10 H ARG 10 20.663 5.577 1.597 41 HA ARG 10 HA ARG 10 19.306 6.904 -0.399 42 HB2 ARG 10 1HB ARG 10 17.919 4.506 0.721 43 HB3 ARG 10 2HB ARG 10 16.947 5.964 0.706 44 HG2 ARG 10 1HG ARG 10 18.154 6.008 -1.818 45 HG3 ARG 10 2HG ARG 10 17.872 4.298 -1.559 46 HD2 ARG 10 1HD ARG 10 15.497 5.603 -0.668 47 HD3 ARG 10 2HD ARG 10 15.939 6.404 -2.162 48 HE ARG 10 HE ARG 10 14.879 3.748 -1.930 49 HH11 ARG 10 2HH2 ARG 10 17.297 5.559 -3.734 50 HH12 ARG 10 1HH2 ARG 10 17.227 4.521 -5.119 51 HH21 ARG 10 2HH1 ARG 10 14.785 2.378 -3.757 52 HH22 ARG 10 1HH1 ARG 10 15.788 2.699 -5.132 53 HA PRO 11 HA PRO 11 18.669 9.442 3.089 54 HB2 PRO 11 1HB PRO 11 16.696 11.134 2.245 55 HB3 PRO 11 2HB PRO 11 18.378 11.320 1.789 56 HG2 PRO 11 1HG PRO 11 16.119 10.311 0.170 57 HG3 PRO 11 2HG PRO 11 17.680 10.899 -0.369 58 HD2 PRO 11 1HD PRO 11 16.841 8.161 -0.202 59 HD3 PRO 11 2HD PRO 11 18.438 8.744 -0.630 60 H HIS 12 H HIS 12 16.723 10.612 4.430 61 HA HIS 12 HA HIS 12 15.425 8.325 5.531 62 HB2 HIS 12 1HB HIS 12 15.459 11.269 6.194 63 HB3 HIS 12 2HB HIS 12 14.388 10.157 7.022 64 HD1 HIS 12 1HD HIS 12 16.538 11.597 8.648 65 HD2 HIS 12 2HD HIS 12 17.128 7.851 6.855 66 HE1 HIS 12 1HE HIS 12 18.436 10.479 9.936 67 H GLN 13 H GLN 13 12.914 8.891 6.218 68 HA GLN 13 HA GLN 13 10.854 9.285 5.572 69 HB2 GLN 13 1HB GLN 13 11.837 10.341 2.891 70 HB3 GLN 13 2HB GLN 13 10.272 10.617 3.630 71 HG2 GLN 13 1HG GLN 13 12.725 11.435 5.184 72 HG3 GLN 13 2HG GLN 13 12.260 12.422 3.812 73 HE21 GLN 13 1HE2 GLN 13 12.096 13.905 5.760 74 HE22 GLN 13 2HE2 GLN 13 10.541 14.066 6.506 75 H TRP 14 H TRP 14 12.982 8.141 2.867 76 HA TRP 14 HA TRP 14 10.921 6.249 2.077 77 HB2 TRP 14 1HB TRP 14 13.578 7.030 0.874 78 HB3 TRP 14 2HB TRP 14 12.581 5.730 0.253 79 HD1 TRP 14 HD TRP 14 11.930 9.508 1.094 80 HE1 TRP 14 1HE TRP 14 10.449 10.621 -0.785 81 HE3 TRP 14 3HE TRP 14 11.396 5.301 -1.711 82 HZ2 TRP 14 2HZ TRP 14 9.247 9.639 -3.180 83 HZ3 TRP 14 3HZ TRP 14 10.054 5.464 -3.805 84 HH2 TRP 14 HH TRP 14 8.998 7.538 -4.553 85 H GLN 15 H GLN 15 14.493 6.188 2.802 86 HA GLN 15 HA GLN 15 14.785 3.534 3.054 87 HB2 GLN 15 1HB GLN 15 16.752 4.822 3.189 88 HB3 GLN 15 2HB GLN 15 16.106 5.876 4.431 89 HG2 GLN 15 1HG GLN 15 16.730 4.472 6.134 90 HG3 GLN 15 2HG GLN 15 16.232 3.033 5.265 91 HE21 GLN 15 1HE2 GLN 15 17.627 2.015 3.835 92 HE22 GLN 15 2HE2 GLN 15 19.338 2.282 3.832 93 H THR 16 H THR 16 13.597 5.842 5.565 94 HA THR 16 HA THR 16 13.517 4.215 7.752 95 HB THR 16 HB THR 16 12.938 6.604 7.792 96 HG1 THR 16 1HG THR 16 11.901 5.018 9.304 97 HG21 THR 16 1HG2 THR 16 11.480 6.195 5.502 98 HG22 THR 16 2HG2 THR 16 10.183 6.110 6.718 99 HG23 THR 16 3HG2 THR 16 11.197 7.568 6.598 100 H ASP 17 H ASP 17 11.126 4.343 5.051 101 HA ASP 17 HA ASP 17 9.339 2.595 6.196 102 HB2 ASP 17 1HB ASP 17 10.056 3.025 3.257 103 HB3 ASP 17 2HB ASP 17 8.632 2.159 3.797 104 H GLU 18 H GLU 18 12.433 2.139 4.485 105 HA GLU 18 HA GLU 18 12.079 -0.543 3.817 106 HB2 GLU 18 1HB GLU 18 13.824 1.085 2.907 107 HB3 GLU 18 2HB GLU 18 14.717 0.866 4.398 108 HG2 GLU 18 1HG GLU 18 15.293 -1.346 3.904 109 HG3 GLU 18 2HG GLU 18 13.860 -1.620 2.933 110 H GLU 19 H GLU 19 12.670 1.082 6.842 111 HA GLU 19 HA GLU 19 13.757 -1.323 8.019 112 HB2 GLU 19 1HB GLU 19 13.272 1.444 9.209 113 HB3 GLU 19 2HB GLU 19 14.039 0.114 10.054 114 HG2 GLU 19 1HG GLU 19 15.610 0.098 7.863 115 HG3 GLU 19 2HG GLU 19 15.088 1.767 7.761 116 H GLY 20 H GLY 20 11.067 1.049 8.653 117 HA2 GLY 20 1HA GLY 20 9.715 -0.272 10.617 118 HA3 GLY 20 2HA GLY 20 8.960 0.712 9.379 119 H VAL 21 H VAL 21 10.181 -1.277 7.278 120 HA VAL 21 HA VAL 21 7.857 -2.957 7.221 121 HB VAL 21 HB VAL 21 8.732 -1.891 5.217 122 HG11 VAL 21 1HG1 VAL 21 11.228 -2.455 6.191 123 HG12 VAL 21 2HG1 VAL 21 11.058 -3.683 4.914 124 HG13 VAL 21 3HG1 VAL 21 10.876 -1.957 4.519 125 HG21 VAL 21 1HG2 VAL 21 7.665 -4.307 5.324 126 HG22 VAL 21 2HG2 VAL 21 8.300 -3.652 3.796 127 HG23 VAL 21 3HG2 VAL 21 9.273 -4.803 4.743 128 H ARG 22 H ARG 22 11.360 -3.250 7.928 129 HA ARG 22 HA ARG 22 11.031 -6.089 8.245 130 HB2 ARG 22 1HB ARG 22 13.561 -5.891 8.860 131 HB3 ARG 22 2HB ARG 22 13.103 -5.550 7.203 132 HG2 ARG 22 1HG ARG 22 13.189 -3.149 7.578 133 HG3 ARG 22 2HG ARG 22 13.323 -3.359 9.312 134 HD2 ARG 22 1HD ARG 22 15.577 -3.143 8.941 135 HD3 ARG 22 2HD ARG 22 15.493 -4.832 8.481 136 HE ARG 22 HE ARG 22 15.777 -2.530 6.666 137 HH11 ARG 22 2HH2 ARG 22 14.997 -5.949 6.951 138 HH12 ARG 22 1HH2 ARG 22 15.327 -6.295 5.287 139 HH21 ARG 22 2HH1 ARG 22 16.213 -2.985 4.469 140 HH22 ARG 22 1HH1 ARG 22 16.024 -4.597 3.865 141 H THR 23 H THR 23 11.669 -3.097 10.142 142 HA THR 23 HA THR 23 12.026 -4.507 12.611 143 HB THR 23 HB THR 23 12.280 -2.262 13.502 144 HG1 THR 23 1HG THR 23 10.853 -1.679 11.009 145 HG21 THR 23 1HG2 THR 23 14.063 -1.541 12.225 146 HG22 THR 23 2HG2 THR 23 13.787 -3.043 11.309 147 HG23 THR 23 3HG2 THR 23 13.092 -1.509 10.733 148 H GLY 24 H GLY 24 9.321 -2.840 10.941 149 HA2 GLY 24 1HA GLY 24 7.118 -3.672 11.256 150 HA3 GLY 24 2HA GLY 24 7.518 -4.092 12.910 151 H LYS 25 H LYS 25 7.708 -1.128 10.798 152 HA LYS 25 HA LYS 25 5.839 0.294 12.319 153 HB2 LYS 25 1HB LYS 25 7.486 1.971 13.304 154 HB3 LYS 25 2HB LYS 25 7.322 0.434 14.129 155 HG2 LYS 25 1HG LYS 25 9.647 0.598 14.019 156 HG3 LYS 25 2HG LYS 25 9.331 -0.312 12.556 157 HD2 LYS 25 1HD LYS 25 9.551 1.640 11.161 158 HD3 LYS 25 2HD LYS 25 9.441 2.729 12.529 159 HE2 LYS 25 1HE LYS 25 11.706 0.707 12.258 160 HE3 LYS 25 2HE LYS 25 11.803 2.308 11.551 161 HZ1 LYS 25 1HZ LYS 25 12.099 3.214 13.541 162 HZ2 LYS 25 2HZ LYS 25 10.961 2.303 14.279 163 HZ3 LYS 25 3HZ LYS 25 12.468 1.711 14.062 164 H CYS 26 H CYS 26 6.186 -0.300 9.608 165 HA CYS 26 HA CYS 26 7.237 2.197 8.514 166 HB2 CYS 26 1HB CYS 26 8.263 0.292 7.487 167 HB3 CYS 26 2HB CYS 26 6.721 -0.504 7.243 168 HG CYS 26 HG CYS 26 6.755 2.509 6.149 169 H SER 27 H SER 27 5.103 3.022 9.659 170 HA SER 27 HA SER 27 2.936 2.676 7.735 171 HB2 SER 27 1HB SER 27 1.346 2.652 9.443 172 HB3 SER 27 2HB SER 27 2.672 1.797 10.206 173 HG SER 27 HG SER 27 1.653 3.550 11.508 174 H PHE 28 H PHE 28 1.796 4.598 7.096 175 HA PHE 28 HA PHE 28 2.829 7.097 8.195 176 HB2 PHE 28 1HB PHE 28 2.554 7.662 5.508 177 HB3 PHE 28 2HB PHE 28 4.079 7.167 6.215 178 HD1 PHE 28 2HD PHE 28 4.539 4.603 6.269 179 HD2 PHE 28 1HD PHE 28 1.648 6.432 3.758 180 HE1 PHE 28 2HE PHE 28 4.595 2.606 4.749 181 HE2 PHE 28 1HE PHE 28 1.705 4.435 2.238 182 HZ PHE 28 HZ PHE 28 3.178 2.545 2.752 183 HA PRO 29 HA PRO 29 -1.285 8.386 7.790 184 HB2 PRO 29 1HB PRO 29 -1.077 11.070 7.320 185 HB3 PRO 29 2HB PRO 29 -0.891 10.359 8.911 186 HG2 PRO 29 1HG PRO 29 1.192 11.413 7.096 187 HG3 PRO 29 2HG PRO 29 1.292 11.100 8.818 188 HD2 PRO 29 1HD PRO 29 2.382 9.484 6.713 189 HD3 PRO 29 2HD PRO 29 2.381 9.113 8.426 190 H VAL 30 H VAL 30 -2.679 7.701 6.304 191 HA VAL 30 HA VAL 30 -2.520 9.082 3.749 192 HB VAL 30 HB VAL 30 -2.340 7.170 2.444 193 HG11 VAL 30 1HG1 VAL 30 -0.523 6.678 4.829 194 HG12 VAL 30 2HG1 VAL 30 -0.294 6.029 3.188 195 HG13 VAL 30 3HG1 VAL 30 -0.198 7.783 3.473 196 HG21 VAL 30 1HG2 VAL 30 -2.689 5.401 4.886 197 HG22 VAL 30 2HG2 VAL 30 -4.000 5.831 3.761 198 HG23 VAL 30 3HG2 VAL 30 -2.602 4.893 3.182 199 H LYS 31 H LYS 31 -4.517 8.043 2.349 200 HA LYS 31 HA LYS 31 -6.767 7.917 4.235 201 HB2 LYS 31 1HB LYS 31 -6.382 9.575 1.758 202 HB3 LYS 31 2HB LYS 31 -7.994 9.056 2.208 203 HG2 LYS 31 1HG LYS 31 -8.099 10.688 3.776 204 HG3 LYS 31 2HG LYS 31 -6.719 9.997 4.606 205 HD2 LYS 31 1HD LYS 31 -6.046 12.224 4.076 206 HD3 LYS 31 2HD LYS 31 -5.230 11.224 2.890 207 HE2 LYS 31 1HE LYS 31 -6.134 12.887 1.512 208 HE3 LYS 31 2HE LYS 31 -7.386 11.665 1.411 209 HZ1 LYS 31 1HZ LYS 31 -7.383 14.077 3.072 210 HZ2 LYS 31 2HZ LYS 31 -8.449 13.657 1.908 211 HZ3 LYS 31 3HZ LYS 31 -8.434 12.854 3.330 212 H TYR 32 H TYR 32 -8.315 6.341 3.867 213 HA TYR 32 HA TYR 32 -7.534 4.312 1.950 214 HB2 TYR 32 1HB TYR 32 -8.227 3.924 4.393 215 HB3 TYR 32 2HB TYR 32 -9.807 4.583 4.017 216 HD1 TYR 32 2HD TYR 32 -8.082 2.450 1.571 217 HD2 TYR 32 1HD TYR 32 -10.926 2.538 4.766 218 HE1 TYR 32 2HE TYR 32 -8.897 0.131 0.919 219 HE2 TYR 32 1HE TYR 32 -11.732 0.220 4.103 220 HH TYR 32 HH TYR 32 -11.399 -1.504 2.834 221 H LEU 33 H LEU 33 -8.158 4.733 -0.136 222 HA LEU 33 HA LEU 33 -10.570 6.150 -0.681 223 HB2 LEU 33 1HB LEU 33 -8.565 4.709 -2.414 224 HB3 LEU 33 2HB LEU 33 -9.976 5.526 -3.055 225 HG LEU 33 HG LEU 33 -7.790 6.865 -1.437 226 HD11 LEU 33 1HD1 LEU 33 -8.260 6.767 -4.427 227 HD12 LEU 33 2HD1 LEU 33 -7.163 7.911 -3.618 228 HD13 LEU 33 3HD1 LEU 33 -6.850 6.162 -3.524 229 HD21 LEU 33 1HD2 LEU 33 -10.392 7.792 -2.542 230 HD22 LEU 33 2HD2 LEU 33 -9.505 8.307 -1.086 231 HD23 LEU 33 3HD2 LEU 33 -9.000 8.893 -2.690 232 H GLY 34 H GLY 34 -9.474 2.716 -0.810 233 HA2 GLY 34 1HA GLY 34 -11.351 1.226 -0.027 234 HA3 GLY 34 2HA GLY 34 -12.277 1.941 -1.332 235 H HIS 35 H HIS 35 -12.540 0.104 -2.634 236 HA HIS 35 HA HIS 35 -10.145 -0.686 -4.044 237 HB2 HIS 35 1HB HIS 35 -10.886 -3.137 -3.793 238 HB3 HIS 35 2HB HIS 35 -9.998 -2.388 -2.481 239 HD1 HIS 35 1HD HIS 35 -10.970 -3.883 -0.630 240 HD2 HIS 35 2HD HIS 35 -13.892 -1.838 -2.838 241 HE1 HIS 35 1HE HIS 35 -13.167 -4.198 0.628 242 H VAL 36 H VAL 36 -10.648 -1.761 -6.114 243 HA VAL 36 HA VAL 36 -13.457 -1.622 -6.877 244 HB VAL 36 HB VAL 36 -12.994 -0.306 -8.829 245 HG11 VAL 36 1HG1 VAL 36 -12.735 1.818 -7.832 246 HG12 VAL 36 2HG1 VAL 36 -13.416 0.788 -6.550 247 HG13 VAL 36 3HG1 VAL 36 -11.680 1.182 -6.546 248 HG21 VAL 36 1HG2 VAL 36 -10.722 -1.060 -9.312 249 HG22 VAL 36 2HG2 VAL 36 -10.784 0.717 -9.240 250 HG23 VAL 36 3HG2 VAL 36 -10.112 -0.206 -7.875 251 H GLU 37 H GLU 37 -13.676 -2.580 -9.212 252 HA GLU 37 HA GLU 37 -12.056 -4.973 -9.173 253 HB2 GLU 37 1HB GLU 37 -14.801 -4.307 -9.915 254 HB3 GLU 37 2HB GLU 37 -14.008 -5.160 -11.224 255 HG2 GLU 37 1HG GLU 37 -14.396 -7.087 -10.092 256 HG3 GLU 37 2HG GLU 37 -13.190 -6.571 -8.929 257 H VAL 38 H VAL 38 -10.718 -5.625 -10.897 258 HA VAL 38 HA VAL 38 -10.326 -3.558 -12.948 259 HB VAL 38 HB VAL 38 -8.035 -4.318 -13.071 260 HG11 VAL 38 1HG1 VAL 38 -8.470 -4.020 -10.116 261 HG12 VAL 38 2HG1 VAL 38 -7.275 -3.238 -11.179 262 HG13 VAL 38 3HG1 VAL 38 -8.974 -2.706 -11.205 263 HG21 VAL 38 1HG2 VAL 38 -7.704 -6.498 -12.594 264 HG22 VAL 38 2HG2 VAL 38 -7.499 -5.924 -10.921 265 HG23 VAL 38 3HG2 VAL 38 -9.072 -6.562 -11.456 266 H ASP 39 H ASP 39 -9.020 -4.824 -14.916 267 HA ASP 39 HA ASP 39 -10.644 -7.174 -15.479 268 HB2 ASP 39 1HB ASP 39 -11.158 -4.808 -16.677 269 HB3 ASP 39 2HB ASP 39 -9.839 -5.316 -17.714 270 H GLU 40 H GLU 40 -7.757 -5.124 -16.246 271 HA GLU 40 HA GLU 40 -6.500 -7.266 -17.650 272 HB2 GLU 40 1HB GLU 40 -5.256 -4.637 -16.746 273 HB3 GLU 40 2HB GLU 40 -4.688 -5.689 -18.027 274 HG2 GLU 40 1HG GLU 40 -7.502 -4.580 -18.172 275 HG3 GLU 40 2HG GLU 40 -6.155 -3.544 -18.599 276 H SER 41 H SER 41 -6.130 -5.547 -14.491 277 HA SER 41 HA SER 41 -5.459 -6.403 -12.567 278 HB2 SER 41 1HB SER 41 -5.067 -8.644 -12.243 279 HB3 SER 41 2HB SER 41 -5.774 -8.758 -13.842 280 HG SER 41 HG SER 41 -3.121 -9.185 -13.013 281 H ARG 42 H ARG 42 -3.803 -5.316 -15.187 282 HA ARG 42 HA ARG 42 -1.550 -4.669 -13.604 283 HB2 ARG 42 1HB ARG 42 0.147 -5.602 -15.224 284 HB3 ARG 42 2HB ARG 42 -0.753 -6.851 -14.386 285 HG2 ARG 42 1HG ARG 42 -2.256 -6.181 -16.740 286 HG3 ARG 42 2HG ARG 42 -0.584 -6.346 -17.237 287 HD2 ARG 42 1HD ARG 42 -0.439 -8.598 -16.343 288 HD3 ARG 42 2HD ARG 42 -1.956 -8.430 -15.483 289 HE ARG 42 HE ARG 42 -2.382 -7.988 -18.301 290 HH11 ARG 42 2HH2 ARG 42 -1.762 -10.557 -15.978 291 HH12 ARG 42 1HH2 ARG 42 -2.534 -11.780 -16.931 292 HH21 ARG 42 2HH1 ARG 42 -3.401 -9.600 -19.559 293 HH22 ARG 42 1HH1 ARG 42 -3.473 -11.232 -18.982 294 H GLY 43 H GLY 43 -1.114 -2.548 -14.136 295 HA2 GLY 43 1HA GLY 43 -0.587 -1.523 -16.611 296 HA3 GLY 43 2HA GLY 43 -2.326 -1.376 -16.458 297 H MET 44 H MET 44 0.525 0.272 -15.997 298 HA MET 44 HA MET 44 0.307 1.387 -13.504 299 HB2 MET 44 1HB MET 44 1.240 2.724 -16.106 300 HB3 MET 44 2HB MET 44 1.701 3.223 -14.490 301 HG2 MET 44 1HG MET 44 3.254 1.543 -14.275 302 HG3 MET 44 2HG MET 44 2.211 0.346 -15.016 303 HE1 MET 44 1HE MET 44 2.222 -0.428 -17.153 304 HE2 MET 44 2HE MET 44 1.622 1.004 -18.022 305 HE3 MET 44 3HE MET 44 3.099 0.179 -18.578 306 H HIS 45 H HIS 45 -1.701 1.822 -16.330 307 HA HIS 45 HA HIS 45 -2.712 4.360 -15.363 308 HB2 HIS 45 1HB HIS 45 -3.971 4.424 -17.437 309 HB3 HIS 45 2HB HIS 45 -2.275 4.114 -17.750 310 HD1 HIS 45 1HD HIS 45 -1.644 1.895 -18.886 311 HD2 HIS 45 2HD HIS 45 -5.712 2.177 -17.905 312 HE1 HIS 45 1HE HIS 45 -2.797 -0.062 -20.049 313 H ILE 46 H ILE 46 -3.288 0.959 -15.066 314 HA ILE 46 HA ILE 46 -6.090 1.032 -14.771 315 HB ILE 46 HB ILE 46 -4.083 -0.934 -13.665 316 HG12 ILE 46 1HG1 ILE 46 -4.074 -0.382 -16.212 317 HG13 ILE 46 2HG1 ILE 46 -4.047 -2.051 -15.678 318 HG21 ILE 46 1HG2 ILE 46 -7.055 -1.179 -14.202 319 HG22 ILE 46 2HG2 ILE 46 -5.975 -2.521 -13.755 320 HG23 ILE 46 3HG2 ILE 46 -6.248 -1.182 -12.615 321 HD11 ILE 46 1HD1 ILE 46 -6.345 -2.391 -16.192 322 HD12 ILE 46 2HD1 ILE 46 -6.682 -0.643 -16.236 323 HD13 ILE 46 3HD1 ILE 46 -5.742 -1.402 -17.543 324 H CYS 47 H CYS 47 -3.441 0.777 -12.290 325 HA CYS 47 HA CYS 47 -4.872 0.933 -10.052 326 HB2 CYS 47 1HB CYS 47 -2.911 2.365 -9.136 327 HB3 CYS 47 2HB CYS 47 -2.579 0.751 -9.730 328 HG CYS 47 HG CYS 47 -1.528 1.295 -11.910 329 H GLU 48 H GLU 48 -3.743 3.784 -12.017 330 HA GLU 48 HA GLU 48 -4.975 5.696 -10.479 331 HB2 GLU 48 1HB GLU 48 -3.865 5.520 -13.238 332 HB3 GLU 48 2HB GLU 48 -5.018 6.816 -12.991 333 HG2 GLU 48 1HG GLU 48 -3.684 7.891 -11.376 334 HG3 GLU 48 2HG GLU 48 -2.855 6.416 -10.920 335 H ASP 49 H ASP 49 -6.150 4.123 -13.542 336 HA ASP 49 HA ASP 49 -8.469 5.357 -13.877 337 HB2 ASP 49 1HB ASP 49 -7.349 2.787 -14.550 338 HB3 ASP 49 2HB ASP 49 -9.018 2.523 -14.087 339 H ALA 50 H ALA 50 -7.569 3.066 -11.300 340 HA ALA 50 HA ALA 50 -10.151 2.400 -10.427 341 HB1 ALA 50 1HB ALA 50 -9.037 1.422 -8.589 342 HB2 ALA 50 2HB ALA 50 -7.847 1.333 -9.910 343 HB3 ALA 50 3HB ALA 50 -7.698 2.593 -8.661 344 H VAL 51 H VAL 51 -7.745 4.761 -9.049 345 HA VAL 51 HA VAL 51 -9.218 5.880 -7.119 346 HB VAL 51 HB VAL 51 -7.503 7.352 -9.130 347 HG11 VAL 51 1HG1 VAL 51 -9.015 8.627 -7.396 348 HG12 VAL 51 2HG1 VAL 51 -7.761 8.121 -6.238 349 HG13 VAL 51 3HG1 VAL 51 -7.322 9.116 -7.647 350 HG21 VAL 51 1HG2 VAL 51 -6.006 5.792 -8.395 351 HG22 VAL 51 2HG2 VAL 51 -5.849 6.960 -7.061 352 HG23 VAL 51 3HG2 VAL 51 -6.871 5.516 -6.864 353 H LYS 52 H LYS 52 -9.175 7.230 -10.499 354 HA LYS 52 HA LYS 52 -11.127 9.045 -10.290 355 HB2 LYS 52 1HB LYS 52 -10.494 7.142 -12.552 356 HB3 LYS 52 2HB LYS 52 -11.678 8.422 -12.715 357 HG2 LYS 52 1HG LYS 52 -9.962 9.819 -13.222 358 HG3 LYS 52 2HG LYS 52 -9.478 9.720 -11.540 359 HD2 LYS 52 1HD LYS 52 -7.571 8.664 -12.151 360 HD3 LYS 52 2HD LYS 52 -8.514 7.334 -12.795 361 HE2 LYS 52 1HE LYS 52 -8.814 8.734 -14.938 362 HE3 LYS 52 2HE LYS 52 -7.627 9.846 -14.284 363 HZ1 LYS 52 1HZ LYS 52 -7.186 6.981 -14.772 364 HZ2 LYS 52 2HZ LYS 52 -6.598 8.209 -15.675 365 HZ3 LYS 52 3HZ LYS 52 -6.081 8.004 -14.140 366 H ARG 53 H ARG 53 -11.587 5.483 -10.637 367 HA ARG 53 HA ARG 53 -14.310 5.548 -10.910 368 HB2 ARG 53 1HB ARG 53 -12.358 3.584 -10.764 369 HB3 ARG 53 2HB ARG 53 -13.220 3.307 -9.263 370 HG2 ARG 53 1HG ARG 53 -15.372 3.148 -10.503 371 HG3 ARG 53 2HG ARG 53 -14.546 3.488 -12.011 372 HD2 ARG 53 1HD ARG 53 -13.210 1.285 -10.639 373 HD3 ARG 53 2HD ARG 53 -14.923 0.941 -10.778 374 HE ARG 53 HE ARG 53 -13.000 1.205 -12.992 375 HH11 ARG 53 2HH2 ARG 53 -16.394 1.150 -12.066 376 HH12 ARG 53 1HH2 ARG 53 -16.952 0.731 -13.651 377 HH21 ARG 53 2HH1 ARG 53 -13.735 0.652 -15.083 378 HH22 ARG 53 1HH1 ARG 53 -15.429 0.445 -15.379 379 H LEU 54 H LEU 54 -12.324 5.010 -7.900 380 HA LEU 54 HA LEU 54 -14.531 5.026 -6.172 381 HB2 LEU 54 1HB LEU 54 -11.657 5.697 -5.535 382 HB3 LEU 54 2HB LEU 54 -12.893 5.171 -4.410 383 HG LEU 54 HG LEU 54 -12.099 3.411 -6.720 384 HD11 LEU 54 1HD1 LEU 54 -10.215 4.329 -4.928 385 HD12 LEU 54 2HD1 LEU 54 -10.739 2.789 -4.206 386 HD13 LEU 54 3HD1 LEU 54 -10.120 2.824 -5.874 387 HD21 LEU 54 1HD2 LEU 54 -12.644 1.683 -4.844 388 HD22 LEU 54 2HD2 LEU 54 -13.480 3.055 -4.079 389 HD23 LEU 54 3HD2 LEU 54 -13.965 2.511 -5.703 390 H LYS 55 H LYS 55 -13.081 7.521 -8.020 391 HA LYS 55 HA LYS 55 -13.729 9.600 -6.114 392 HB2 LYS 55 1HB LYS 55 -12.271 9.421 -8.714 393 HB3 LYS 55 2HB LYS 55 -13.014 10.956 -8.310 394 HG2 LYS 55 1HG LYS 55 -11.846 10.366 -5.904 395 HG3 LYS 55 2HG LYS 55 -10.737 9.537 -6.978 396 HD2 LYS 55 1HD LYS 55 -10.667 11.736 -8.356 397 HD3 LYS 55 2HD LYS 55 -11.480 12.492 -7.000 398 HE2 LYS 55 1HE LYS 55 -9.640 11.919 -5.487 399 HE3 LYS 55 2HE LYS 55 -8.871 10.932 -6.713 400 HZ1 LYS 55 1HZ LYS 55 -7.785 12.943 -6.820 401 HZ2 LYS 55 2HZ LYS 55 -8.843 13.063 -8.058 402 HZ3 LYS 55 3HZ LYS 55 -9.139 13.839 -6.652 403 H ALA 56 H ALA 56 -15.283 7.729 -8.559 404 HA ALA 56 HA ALA 56 -17.379 9.783 -8.768 405 HB1 ALA 56 1HB ALA 56 -15.950 8.243 -10.769 406 HB2 ALA 56 2HB ALA 56 -17.689 7.869 -10.829 407 HB3 ALA 56 3HB ALA 56 -17.135 9.552 -10.990 408 H THR 57 H THR 57 -16.483 7.012 -7.165 409 HA THR 57 HA THR 57 -18.943 5.542 -7.442 410 HB THR 57 HB THR 57 -16.380 4.860 -6.820 411 HG1 THR 57 1HG THR 57 -17.762 3.130 -7.041 412 HG21 THR 57 1HG2 THR 57 -16.252 4.284 -4.434 413 HG22 THR 57 2HG2 THR 57 -16.520 6.039 -4.566 414 HG23 THR 57 3HG2 THR 57 -17.873 4.961 -4.148 415 H GLY 58 H GLY 58 -17.637 8.086 -5.349 416 HA2 GLY 58 1HA GLY 58 -18.798 9.443 -3.945 417 HA3 GLY 58 2HA GLY 58 -20.258 8.522 -4.246 418 H LYS 59 H LYS 59 -16.993 7.559 -2.966 419 HA LYS 59 HA LYS 59 -18.405 6.519 -0.608 420 HB2 LYS 59 1HB LYS 59 -17.515 4.740 -2.045 421 HB3 LYS 59 2HB LYS 59 -15.914 5.449 -1.968 422 HG2 LYS 59 1HG LYS 59 -16.586 5.260 0.726 423 HG3 LYS 59 2HG LYS 59 -17.364 3.838 0.061 424 HD2 LYS 59 1HD LYS 59 -14.418 4.587 -0.242 425 HD3 LYS 59 2HD LYS 59 -15.059 3.296 0.756 426 HE2 LYS 59 1HE LYS 59 -15.112 3.465 -2.289 427 HE3 LYS 59 2HE LYS 59 -14.239 2.304 -1.310 428 HZ1 LYS 59 1HZ LYS 59 -17.018 2.360 -2.004 429 HZ2 LYS 59 2HZ LYS 59 -16.051 1.086 -1.673 430 HZ3 LYS 59 3HZ LYS 59 -16.717 1.944 -0.453 431 H LYS 60 H LYS 60 -15.565 8.270 -1.919 432 HA LYS 60 HA LYS 60 -14.275 9.808 -0.987 433 HB2 LYS 60 1HB LYS 60 -16.519 9.718 0.941 434 HB3 LYS 60 2HB LYS 60 -15.017 10.353 1.581 435 HG2 LYS 60 1HG LYS 60 -15.469 11.432 -1.088 436 HG3 LYS 60 2HG LYS 60 -16.895 11.692 -0.104 437 HD2 LYS 60 1HD LYS 60 -15.710 13.563 0.551 438 HD3 LYS 60 2HD LYS 60 -15.052 12.438 1.722 439 HE2 LYS 60 1HE LYS 60 -13.130 11.965 0.177 440 HE3 LYS 60 2HE LYS 60 -13.784 13.108 -0.978 441 HZ1 LYS 60 1HZ LYS 60 -12.908 14.753 0.170 442 HZ2 LYS 60 2HZ LYS 60 -13.604 14.279 1.569 443 HZ3 LYS 60 3HZ LYS 60 -12.152 13.671 1.132 444 H ALA 61 H ALA 61 -12.453 10.002 0.582 445 HA ALA 61 HA ALA 61 -11.537 7.341 1.253 446 HB1 ALA 61 1HB ALA 61 -9.856 9.691 1.903 447 HB2 ALA 61 2HB ALA 61 -9.465 8.227 0.969 448 HB3 ALA 61 3HB ALA 61 -10.335 9.573 0.193 449 H VAL 62 H VAL 62 -10.215 7.237 3.442 450 HA VAL 62 HA VAL 62 -11.807 8.579 5.513 451 HB VAL 62 HB VAL 62 -11.056 5.680 5.220 452 HG11 VAL 62 1HG1 VAL 62 -10.292 6.356 7.444 453 HG12 VAL 62 2HG1 VAL 62 -11.881 7.082 7.786 454 HG13 VAL 62 3HG1 VAL 62 -11.736 5.322 7.562 455 HG21 VAL 62 1HG2 VAL 62 -13.255 6.559 4.358 456 HG22 VAL 62 2HG2 VAL 62 -13.389 5.268 5.576 457 HG23 VAL 62 3HG2 VAL 62 -13.680 6.962 6.039 458 H LYS 63 H LYS 63 -10.629 8.690 7.647 459 HA LYS 63 HA LYS 63 -7.837 9.291 7.087 460 HB2 LYS 63 1HB LYS 63 -9.800 10.112 9.218 461 HB3 LYS 63 2HB LYS 63 -8.078 10.301 9.478 462 HG2 LYS 63 1HG LYS 63 -8.816 11.251 6.809 463 HG3 LYS 63 2HG LYS 63 -9.794 12.041 8.030 464 HD2 LYS 63 1HD LYS 63 -7.979 13.455 8.150 465 HD3 LYS 63 2HD LYS 63 -7.387 12.239 9.264 466 HE2 LYS 63 1HE LYS 63 -5.971 11.239 7.617 467 HE3 LYS 63 2HE LYS 63 -6.835 11.984 6.287 468 HZ1 LYS 63 1HZ LYS 63 -5.131 13.406 6.434 469 HZ2 LYS 63 2HZ LYS 63 -6.041 14.124 7.585 470 HZ3 LYS 63 3HZ LYS 63 -4.829 13.116 8.013 471 H ALA 64 H ALA 64 -6.599 7.461 7.174 472 HA ALA 64 HA ALA 64 -6.529 6.117 9.745 473 HB1 ALA 64 1HB ALA 64 -7.701 4.343 9.007 474 HB2 ALA 64 2HB ALA 64 -7.749 4.989 7.349 475 HB3 ALA 64 3HB ALA 64 -6.358 4.016 7.885 476 H VAL 65 H VAL 65 -4.564 4.554 9.765 477 HA VAL 65 HA VAL 65 -2.423 5.895 8.279 478 HB VAL 65 HB VAL 65 -2.440 4.311 10.853 479 HG11 VAL 65 1HG1 VAL 65 -0.003 5.780 9.955 480 HG12 VAL 65 2HG1 VAL 65 -0.157 4.301 10.932 481 HG13 VAL 65 3HG1 VAL 65 -0.364 4.226 9.166 482 HG21 VAL 65 1HG2 VAL 65 -1.515 7.154 10.604 483 HG22 VAL 65 2HG2 VAL 65 -3.262 6.812 10.641 484 HG23 VAL 65 3HG2 VAL 65 -2.226 6.301 11.995 485 H LEU 66 H LEU 66 -1.309 4.803 6.727 486 HA LEU 66 HA LEU 66 -2.099 2.045 6.279 487 HB2 LEU 66 1HB LEU 66 -2.281 3.323 4.351 488 HB3 LEU 66 2HB LEU 66 -0.788 4.191 4.651 489 HG LEU 66 HG LEU 66 0.534 2.243 4.060 490 HD11 LEU 66 1HD1 LEU 66 -1.924 0.705 3.276 491 HD12 LEU 66 2HD1 LEU 66 -0.272 0.126 3.598 492 HD13 LEU 66 3HD1 LEU 66 -1.314 0.639 4.946 493 HD21 LEU 66 1HD2 LEU 66 0.099 2.171 1.709 494 HD22 LEU 66 2HD2 LEU 66 -1.598 2.652 1.950 495 HD23 LEU 66 3HD2 LEU 66 -0.288 3.808 2.291 496 H TRP 67 H TRP 67 -0.962 0.436 7.207 497 HA TRP 67 HA TRP 67 1.803 0.999 7.959 498 HB2 TRP 67 1HB TRP 67 -0.067 -1.238 8.758 499 HB3 TRP 67 2HB TRP 67 1.586 -1.058 9.311 500 HD1 TRP 67 HD TRP 67 -1.668 1.122 9.411 501 HE1 TRP 67 1HE TRP 67 -1.819 2.442 11.691 502 HE3 TRP 67 3HE TRP 67 2.788 -0.497 11.248 503 HZ2 TRP 67 2HZ TRP 67 -0.096 2.657 13.956 504 HZ3 TRP 67 3HZ TRP 67 3.480 0.316 13.501 505 HH2 TRP 67 HH TRP 67 2.118 1.839 14.843 506 H VAL 68 H VAL 68 3.528 -0.365 7.227 507 HA VAL 68 HA VAL 68 2.781 -2.216 5.077 508 HB VAL 68 HB VAL 68 5.084 -0.256 5.032 509 HG11 VAL 68 1HG1 VAL 68 5.766 -2.093 3.753 510 HG12 VAL 68 2HG1 VAL 68 4.125 -2.395 3.132 511 HG13 VAL 68 3HG1 VAL 68 5.053 -0.992 2.549 512 HG21 VAL 68 1HG2 VAL 68 3.669 0.635 3.016 513 HG22 VAL 68 2HG2 VAL 68 2.311 -0.137 3.870 514 HG23 VAL 68 3HG2 VAL 68 3.261 1.135 4.675 515 H SER 69 H SER 69 3.638 -4.221 5.336 516 HA SER 69 HA SER 69 6.093 -4.426 6.844 517 HB2 SER 69 1HB SER 69 3.618 -6.075 7.529 518 HB3 SER 69 2HB SER 69 5.191 -6.220 8.287 519 HG SER 69 HG SER 69 4.908 -4.335 9.384 520 H ALA 70 H ALA 70 7.121 -6.626 6.560 521 HA ALA 70 HA ALA 70 7.093 -7.414 3.906 522 HB1 ALA 70 1HB ALA 70 8.619 -9.103 4.608 523 HB2 ALA 70 2HB ALA 70 8.875 -7.739 5.723 524 HB3 ALA 70 3HB ALA 70 7.929 -9.153 6.248 525 H ASP 71 H ASP 71 4.940 -8.187 6.556 526 HA ASP 71 HA ASP 71 4.071 -10.635 5.400 527 HB2 ASP 71 1HB ASP 71 3.709 -9.172 7.872 528 HB3 ASP 71 2HB ASP 71 2.124 -9.548 7.226 529 H GLY 72 H GLY 72 3.710 -7.382 4.600 530 HA2 GLY 72 1HA GLY 72 2.261 -7.135 2.579 531 HA3 GLY 72 2HA GLY 72 0.959 -7.751 3.576 532 H LEU 73 H LEU 73 -0.380 -5.943 3.693 533 HA LEU 73 HA LEU 73 0.842 -3.592 4.965 534 HB2 LEU 73 1HB LEU 73 -1.544 -3.310 3.201 535 HB3 LEU 73 2HB LEU 73 -0.299 -2.145 3.607 536 HG LEU 73 HG LEU 73 0.412 -4.540 1.938 537 HD11 LEU 73 1HD1 LEU 73 -1.681 -3.457 1.008 538 HD12 LEU 73 2HD1 LEU 73 -0.696 -2.001 0.729 539 HD13 LEU 73 3HD1 LEU 73 -0.277 -3.528 -0.085 540 HD21 LEU 73 1HD2 LEU 73 1.577 -2.031 1.142 541 HD22 LEU 73 2HD2 LEU 73 1.786 -2.273 2.893 542 HD23 LEU 73 3HD2 LEU 73 2.365 -3.507 1.749 543 H ARG 74 H ARG 74 -1.097 -2.180 5.953 544 HA ARG 74 HA ARG 74 -3.226 -3.796 6.911 545 HB2 ARG 74 1HB ARG 74 -0.901 -3.018 8.696 546 HB3 ARG 74 2HB ARG 74 -2.509 -3.097 9.388 547 HG2 ARG 74 1HG ARG 74 -2.372 -5.467 7.915 548 HG3 ARG 74 2HG ARG 74 -0.730 -5.295 8.503 549 HD2 ARG 74 1HD ARG 74 -1.501 -5.143 10.825 550 HD3 ARG 74 2HD ARG 74 -3.176 -5.060 10.317 551 HE ARG 74 HE ARG 74 -3.181 -7.386 9.966 552 HH11 ARG 74 2HH2 ARG 74 0.125 -6.253 10.383 553 HH12 ARG 74 1HH2 ARG 74 0.793 -7.847 10.494 554 HH21 ARG 74 2HH1 ARG 74 -2.300 -9.490 10.113 555 HH22 ARG 74 1HH1 ARG 74 -0.596 -9.701 10.340 556 H VAL 75 H VAL 75 -4.900 -2.353 6.626 557 HA VAL 75 HA VAL 75 -4.359 0.477 6.863 558 HB VAL 75 HB VAL 75 -6.867 -1.044 6.122 559 HG11 VAL 75 1HG1 VAL 75 -7.477 1.153 6.858 560 HG12 VAL 75 2HG1 VAL 75 -6.148 1.897 5.936 561 HG13 VAL 75 3HG1 VAL 75 -7.520 1.155 5.078 562 HG21 VAL 75 1HG2 VAL 75 -5.417 -1.593 4.403 563 HG22 VAL 75 2HG2 VAL 75 -6.140 -0.088 3.786 564 HG23 VAL 75 3HG2 VAL 75 -4.520 -0.060 4.523 565 H VAL 76 H VAL 76 -4.052 0.974 9.036 566 HA VAL 76 HA VAL 76 -5.906 -0.072 10.979 567 HB VAL 76 HB VAL 76 -3.393 1.540 10.977 568 HG11 VAL 76 1HG1 VAL 76 -3.767 1.757 13.535 569 HG12 VAL 76 2HG1 VAL 76 -4.551 2.933 12.454 570 HG13 VAL 76 3HG1 VAL 76 -5.495 1.589 13.141 571 HG21 VAL 76 1HG2 VAL 76 -3.709 -1.060 11.200 572 HG22 VAL 76 2HG2 VAL 76 -2.517 -0.209 12.212 573 HG23 VAL 76 3HG2 VAL 76 -4.097 -0.667 12.892 574 H ASP 77 H ASP 77 -7.239 1.310 12.367 575 HA ASP 77 HA ASP 77 -8.229 3.550 10.814 576 HB2 ASP 77 1HB ASP 77 -9.831 1.756 11.511 577 HB3 ASP 77 2HB ASP 77 -9.438 2.058 13.192 578 H GLU 78 H GLU 78 -7.127 5.430 11.461 579 HA GLU 78 HA GLU 78 -5.726 5.883 13.651 580 HB2 GLU 78 1HB GLU 78 -7.467 7.732 12.006 581 HB3 GLU 78 2HB GLU 78 -6.599 8.370 13.388 582 HG2 GLU 78 1HG GLU 78 -4.666 6.812 12.063 583 HG3 GLU 78 2HG GLU 78 -5.568 7.546 10.751 584 H LYS 79 H LYS 79 -9.261 5.730 13.451 585 HA LYS 79 HA LYS 79 -10.115 7.097 15.601 586 HB2 LYS 79 1HB LYS 79 -11.391 5.609 13.933 587 HB3 LYS 79 2HB LYS 79 -11.073 4.288 15.038 588 HG2 LYS 79 1HG LYS 79 -12.360 6.906 15.931 589 HG3 LYS 79 2HG LYS 79 -13.297 5.533 15.378 590 HD2 LYS 79 1HD LYS 79 -12.125 4.121 17.159 591 HD3 LYS 79 2HD LYS 79 -11.403 5.595 17.771 592 HE2 LYS 79 1HE LYS 79 -13.272 5.880 19.032 593 HE3 LYS 79 2HE LYS 79 -14.132 6.248 17.550 594 HZ1 LYS 79 1HZ LYS 79 -14.094 3.800 19.069 595 HZ2 LYS 79 2HZ LYS 79 -15.313 4.484 18.226 596 HZ3 LYS 79 3HZ LYS 79 -14.159 3.632 17.446 597 H THR 80 H THR 80 -9.442 3.546 15.921 598 HA THR 80 HA THR 80 -8.230 4.166 18.534 599 HB THR 80 HB THR 80 -10.636 3.194 18.542 600 HG1 THR 80 1HG THR 80 -8.328 1.716 19.598 601 HG21 THR 80 1HG2 THR 80 -9.016 0.835 17.473 602 HG22 THR 80 2HG2 THR 80 -10.514 0.609 18.408 603 HG23 THR 80 3HG2 THR 80 -10.558 1.467 16.849 604 H LYS 81 H LYS 81 -7.197 3.673 15.658 605 HA LYS 81 HA LYS 81 -5.389 2.738 14.801 606 HB2 LYS 81 1HB LYS 81 -4.947 2.177 17.707 607 HB3 LYS 81 2HB LYS 81 -3.932 1.350 16.544 608 HG2 LYS 81 1HG LYS 81 -4.370 4.368 16.489 609 HG3 LYS 81 2HG LYS 81 -3.064 3.619 17.386 610 HD2 LYS 81 1HD LYS 81 -2.568 2.402 15.061 611 HD3 LYS 81 2HD LYS 81 -3.481 3.740 14.393 612 HE2 LYS 81 1HE LYS 81 -1.234 4.519 14.363 613 HE3 LYS 81 2HE LYS 81 -1.924 5.294 15.776 614 HZ1 LYS 81 1HZ LYS 81 0.212 3.527 15.667 615 HZ2 LYS 81 2HZ LYS 81 -0.394 4.296 16.974 616 HZ3 LYS 81 3HZ LYS 81 -0.962 2.823 16.558 617 H ASP 82 H ASP 82 -8.127 1.247 15.649 618 HA ASP 82 HA ASP 82 -7.646 -1.415 15.762 619 HB2 ASP 82 1HB ASP 82 -9.877 -0.065 15.811 620 HB3 ASP 82 2HB ASP 82 -9.866 -0.205 14.064 621 H LEU 83 H LEU 83 -8.545 -2.900 13.690 622 HA LEU 83 HA LEU 83 -6.789 -2.137 11.470 623 HB2 LEU 83 1HB LEU 83 -6.400 -4.256 12.846 624 HB3 LEU 83 2HB LEU 83 -7.841 -4.892 12.077 625 HG LEU 83 HG LEU 83 -5.487 -5.438 11.107 626 HD11 LEU 83 1HD1 LEU 83 -6.478 -5.408 8.758 627 HD12 LEU 83 2HD1 LEU 83 -7.393 -6.277 10.014 628 HD13 LEU 83 3HD1 LEU 83 -7.915 -4.657 9.492 629 HD21 LEU 83 1HD2 LEU 83 -4.596 -3.921 9.492 630 HD22 LEU 83 2HD2 LEU 83 -5.961 -2.798 9.704 631 HD23 LEU 83 3HD2 LEU 83 -4.789 -3.035 11.023 632 H ILE 84 H ILE 84 -7.714 -1.479 9.608 633 HA ILE 84 HA ILE 84 -10.585 -1.823 9.358 634 HB ILE 84 HB ILE 84 -8.640 -0.250 7.665 635 HG12 ILE 84 1HG1 ILE 84 -10.448 0.780 9.867 636 HG13 ILE 84 2HG1 ILE 84 -8.746 0.431 10.093 637 HG21 ILE 84 1HG2 ILE 84 -11.182 -1.029 7.014 638 HG22 ILE 84 2HG2 ILE 84 -11.463 0.557 7.771 639 HG23 ILE 84 3HG2 ILE 84 -10.352 0.416 6.387 640 HD11 ILE 84 1HD1 ILE 84 -9.511 2.877 9.438 641 HD12 ILE 84 2HD1 ILE 84 -8.048 2.185 8.696 642 HD13 ILE 84 3HD1 ILE 84 -9.581 2.206 7.791 643 H VAL 85 H VAL 85 -7.543 -2.513 7.511 644 HA VAL 85 HA VAL 85 -8.907 -4.822 6.376 645 HB VAL 85 HB VAL 85 -7.630 -2.590 4.793 646 HG11 VAL 85 1HG1 VAL 85 -7.919 -3.985 2.796 647 HG12 VAL 85 2HG1 VAL 85 -6.810 -4.753 3.958 648 HG13 VAL 85 3HG1 VAL 85 -8.486 -5.334 3.809 649 HG21 VAL 85 1HG2 VAL 85 -9.988 -3.166 3.569 650 HG22 VAL 85 2HG2 VAL 85 -10.397 -3.540 5.261 651 HG23 VAL 85 3HG2 VAL 85 -9.792 -1.923 4.828 652 H ASP 86 H ASP 86 -7.387 -6.447 5.559 653 HA ASP 86 HA ASP 86 -4.679 -5.959 6.512 654 HB2 ASP 86 1HB ASP 86 -5.458 -7.407 8.189 655 HB3 ASP 86 2HB ASP 86 -6.570 -8.227 7.111 656 H GLN 87 H GLN 87 -3.767 -5.740 4.405 657 HA GLN 87 HA GLN 87 -4.434 -7.833 2.506 658 HB2 GLN 87 1HB GLN 87 -4.687 -5.474 1.757 659 HB3 GLN 87 2HB GLN 87 -2.994 -5.175 2.095 660 HG2 GLN 87 1HG GLN 87 -3.311 -5.628 -0.309 661 HG3 GLN 87 2HG GLN 87 -2.333 -6.888 0.416 662 HE21 GLN 87 1HE2 GLN 87 -3.002 -8.073 -1.496 663 HE22 GLN 87 2HE2 GLN 87 -4.492 -8.956 -1.493 664 H THR 88 H THR 88 -2.824 -9.178 1.571 665 HA THR 88 HA THR 88 -0.291 -9.165 3.058 666 HB THR 88 HB THR 88 -1.509 -11.240 3.313 667 HG1 THR 88 1HG THR 88 -0.091 -12.535 1.607 668 HG21 THR 88 1HG2 THR 88 -3.149 -11.210 1.531 669 HG22 THR 88 2HG2 THR 88 -1.888 -11.033 0.288 670 HG23 THR 88 3HG2 THR 88 -2.064 -12.572 1.164 671 H ILE 89 H ILE 89 1.714 -9.259 2.021 672 HA ILE 89 HA ILE 89 1.867 -7.786 -0.345 673 HB ILE 89 HB ILE 89 3.557 -8.282 1.614 674 HG12 ILE 89 1HG1 ILE 89 5.421 -7.598 -0.021 675 HG13 ILE 89 2HG1 ILE 89 4.191 -7.636 -1.268 676 HG21 ILE 89 1HG2 ILE 89 3.637 -10.749 0.661 677 HG22 ILE 89 2HG2 ILE 89 4.861 -10.040 -0.419 678 HG23 ILE 89 3HG2 ILE 89 5.080 -9.963 1.346 679 HD11 ILE 89 1HD1 ILE 89 2.881 -5.929 -0.179 680 HD12 ILE 89 2HD1 ILE 89 3.841 -6.059 1.315 681 HD13 ILE 89 3HD1 ILE 89 4.568 -5.363 -0.153 682 H GLU 90 H GLU 90 1.538 -11.252 0.317 683 HA GLU 90 HA GLU 90 2.511 -12.270 -2.017 684 HB2 GLU 90 1HB GLU 90 0.124 -13.201 -0.362 685 HB3 GLU 90 2HB GLU 90 0.898 -14.169 -1.600 686 HG2 GLU 90 1HG GLU 90 2.451 -12.991 0.744 687 HG3 GLU 90 2HG GLU 90 1.674 -14.559 0.834 688 H LYS 91 H LYS 91 -1.021 -11.689 -1.332 689 HA LYS 91 HA LYS 91 -1.971 -12.056 -3.837 690 HB2 LYS 91 1HB LYS 91 -2.820 -10.420 -1.492 691 HB3 LYS 91 2HB LYS 91 -3.623 -10.106 -3.017 692 HG2 LYS 91 1HG LYS 91 -4.891 -11.961 -2.736 693 HG3 LYS 91 2HG LYS 91 -3.448 -12.955 -2.768 694 HD2 LYS 91 1HD LYS 91 -3.218 -12.935 -0.403 695 HD3 LYS 91 2HD LYS 91 -4.195 -11.492 -0.220 696 HE2 LYS 91 1HE LYS 91 -5.631 -13.250 0.495 697 HE3 LYS 91 2HE LYS 91 -6.177 -12.898 -1.133 698 HZ1 LYS 91 1HZ LYS 91 -4.163 -14.751 -1.365 699 HZ2 LYS 91 2HZ LYS 91 -5.105 -15.277 -0.138 700 HZ3 LYS 91 3HZ LYS 91 -5.760 -14.991 -1.606 701 H VAL 92 H VAL 92 -0.755 -8.922 -2.463 702 HA VAL 92 HA VAL 92 -1.140 -7.260 -4.517 703 HB VAL 92 HB VAL 92 1.322 -7.591 -2.797 704 HG11 VAL 92 1HG1 VAL 92 0.637 -4.936 -3.963 705 HG12 VAL 92 2HG1 VAL 92 2.222 -5.649 -3.579 706 HG13 VAL 92 3HG1 VAL 92 1.361 -6.137 -5.059 707 HG21 VAL 92 1HG2 VAL 92 -1.130 -5.819 -2.533 708 HG22 VAL 92 2HG2 VAL 92 -0.717 -7.223 -1.521 709 HG23 VAL 92 3HG2 VAL 92 0.299 -5.763 -1.474 710 H SER 93 H SER 93 -1.116 -7.965 -6.632 711 HA SER 93 HA SER 93 1.050 -9.572 -7.537 712 HB2 SER 93 1HB SER 93 -0.120 -9.545 -9.692 713 HB3 SER 93 2HB SER 93 -1.263 -9.859 -8.401 714 HG SER 93 HG SER 93 -0.902 -7.470 -9.953 715 H PHE 94 H PHE 94 -0.182 -6.207 -8.112 716 HA PHE 94 HA PHE 94 2.543 -5.429 -8.765 717 HB2 PHE 94 1HB PHE 94 1.340 -5.970 -10.914 718 HB3 PHE 94 2HB PHE 94 0.003 -4.943 -10.434 719 HD1 PHE 94 2HD PHE 94 3.706 -4.428 -10.433 720 HD2 PHE 94 1HD PHE 94 -0.082 -3.099 -11.808 721 HE1 PHE 94 2HE PHE 94 4.802 -2.473 -11.564 722 HE2 PHE 94 1HE PHE 94 1.013 -1.144 -12.938 723 HZ PHE 94 HZ PHE 94 3.443 -0.854 -12.803 724 H CYS 95 H CYS 95 2.791 -3.000 -8.781 725 HA CYS 95 HA CYS 95 0.638 -1.518 -7.607 726 HB2 CYS 95 1HB CYS 95 2.034 -0.778 -5.636 727 HB3 CYS 95 2HB CYS 95 1.408 -2.412 -5.547 728 HG CYS 95 HG CYS 95 3.723 -2.695 -4.622 729 H ALA 96 H ALA 96 0.728 0.390 -8.739 730 HA ALA 96 HA ALA 96 3.401 1.380 -9.459 731 HB1 ALA 96 1HB ALA 96 2.772 1.698 -11.642 732 HB2 ALA 96 2HB ALA 96 1.699 0.327 -11.270 733 HB3 ALA 96 3HB ALA 96 1.067 1.991 -11.223 734 HA PRO 97 HA PRO 97 2.056 5.072 -7.654 735 HB2 PRO 97 1HB PRO 97 3.578 6.935 -8.949 736 HB3 PRO 97 2HB PRO 97 4.188 5.941 -7.642 737 HG2 PRO 97 1HG PRO 97 4.706 5.710 -10.543 738 HG3 PRO 97 2HG PRO 97 5.611 5.024 -9.209 739 HD2 PRO 97 1HD PRO 97 3.786 3.640 -10.936 740 HD3 PRO 97 2HD PRO 97 4.602 2.983 -9.531 741 H ASP 98 H ASP 98 1.816 7.674 -8.624 742 HA ASP 98 HA ASP 98 -0.230 7.239 -10.651 743 HB2 ASP 98 1HB ASP 98 -1.492 9.154 -9.503 744 HB3 ASP 98 2HB ASP 98 -1.477 7.625 -8.646 745 H ARG 99 H ARG 99 -0.723 9.377 -11.863 746 HA ARG 99 HA ARG 99 1.598 11.128 -11.759 747 HB2 ARG 99 1HB ARG 99 1.903 9.816 -13.761 748 HB3 ARG 99 2HB ARG 99 0.205 9.917 -14.184 749 HG2 ARG 99 1HG ARG 99 0.378 12.125 -14.965 750 HG3 ARG 99 2HG ARG 99 1.753 12.496 -13.943 751 HD2 ARG 99 1HD ARG 99 3.143 10.887 -15.365 752 HD3 ARG 99 2HD ARG 99 1.772 10.745 -16.446 753 HE ARG 99 HE ARG 99 2.338 13.528 -16.034 754 HH11 ARG 99 2HH2 ARG 99 3.672 10.694 -17.637 755 HH12 ARG 99 1HH2 ARG 99 4.488 11.611 -18.858 756 HH21 ARG 99 2HH1 ARG 99 3.414 14.738 -17.645 757 HH22 ARG 99 1HH1 ARG 99 4.341 13.927 -18.863 758 H ASN 100 H ASN 100 -1.860 10.651 -12.692 759 HA ASN 100 HA ASN 100 -2.413 13.254 -13.359 760 HB2 ASN 100 1HB ASN 100 -4.305 11.308 -11.940 761 HB3 ASN 100 2HB ASN 100 -4.778 12.642 -12.974 762 HD21 ASN 100 1HD2 ASN 100 -4.730 9.486 -12.917 763 HD22 ASN 100 2HD2 ASN 100 -4.368 9.063 -14.557 764 H PHE 101 H PHE 101 -2.688 11.462 -10.207 765 HA PHE 101 HA PHE 101 -3.393 13.909 -8.836 766 HB2 PHE 101 1HB PHE 101 -2.727 11.148 -7.686 767 HB3 PHE 101 2HB PHE 101 -3.787 12.354 -6.984 768 HD1 PHE 101 2HD PHE 101 -3.483 9.798 -9.609 769 HD2 PHE 101 1HD PHE 101 -6.080 12.540 -7.673 770 HE1 PHE 101 2HE PHE 101 -5.459 8.686 -10.685 771 HE2 PHE 101 1HE PHE 101 -8.056 11.428 -8.749 772 HZ PHE 101 HZ PHE 101 -7.722 9.514 -10.243 773 H ASP 102 H ASP 102 -2.217 14.024 -6.494 774 HA ASP 102 HA ASP 102 0.595 14.187 -7.188 775 HB2 ASP 102 1HB ASP 102 -0.197 16.300 -6.436 776 HB3 ASP 102 2HB ASP 102 -1.197 15.587 -5.186 777 H ARG 103 H ARG 103 -1.816 12.788 -4.958 778 HA ARG 103 HA ARG 103 0.277 11.100 -3.907 779 HB2 ARG 103 1HB ARG 103 -0.679 11.348 -1.574 780 HB3 ARG 103 2HB ARG 103 0.072 12.812 -2.177 781 HG2 ARG 103 1HG ARG 103 -2.464 13.243 -3.071 782 HG3 ARG 103 2HG ARG 103 -2.832 12.225 -1.693 783 HD2 ARG 103 1HD ARG 103 -1.721 13.740 -0.155 784 HD3 ARG 103 2HD ARG 103 -0.986 14.642 -1.465 785 HE ARG 103 HE ARG 103 -3.913 14.606 -1.596 786 HH11 ARG 103 2HH2 ARG 103 -1.111 16.246 -0.239 787 HH12 ARG 103 1HH2 ARG 103 -1.948 17.742 0.011 788 HH21 ARG 103 2HH1 ARG 103 -5.017 16.579 -1.266 789 HH22 ARG 103 1HH1 ARG 103 -4.184 17.933 -0.577 790 H ALA 104 H ALA 104 -0.881 9.662 -5.515 791 HA ALA 104 HA ALA 104 -3.200 8.435 -4.216 792 HB1 ALA 104 1HB ALA 104 -3.124 8.643 -7.212 793 HB2 ALA 104 2HB ALA 104 -4.520 8.529 -6.114 794 HB3 ALA 104 3HB ALA 104 -3.638 10.067 -6.276 795 H PHE 105 H PHE 105 -2.254 6.551 -3.532 796 HA PHE 105 HA PHE 105 -0.621 5.137 -5.518 797 HB2 PHE 105 1HB PHE 105 0.650 5.588 -3.505 798 HB3 PHE 105 2HB PHE 105 -0.742 5.332 -2.472 799 HD1 PHE 105 2HD PHE 105 1.461 3.461 -4.832 800 HD2 PHE 105 1HD PHE 105 -0.933 3.329 -1.331 801 HE1 PHE 105 2HE PHE 105 2.205 1.101 -4.413 802 HE2 PHE 105 1HE PHE 105 -0.189 0.968 -0.911 803 HZ PHE 105 HZ PHE 105 1.371 -0.117 -2.457 804 H SER 106 H SER 106 -1.422 3.273 -6.369 805 HA SER 106 HA SER 106 -3.396 1.861 -4.775 806 HB2 SER 106 1HB SER 106 -4.946 2.756 -6.223 807 HB3 SER 106 2HB SER 106 -3.760 3.071 -7.474 808 HG SER 106 HG SER 106 -3.775 0.794 -8.007 809 H TYR 107 H TYR 107 -3.568 -0.468 -5.355 810 HA TYR 107 HA TYR 107 -1.521 -1.465 -7.159 811 HB2 TYR 107 1HB TYR 107 -0.537 -2.826 -5.340 812 HB3 TYR 107 2HB TYR 107 -0.562 -1.164 -4.787 813 HD1 TYR 107 1HD TYR 107 -2.694 -4.251 -4.695 814 HD2 TYR 107 2HD TYR 107 -1.421 -0.702 -2.673 815 HE1 TYR 107 1HE TYR 107 -3.997 -4.952 -2.627 816 HE2 TYR 107 2HE TYR 107 -2.728 -1.415 -0.613 817 HH TYR 107 HH TYR 107 -4.830 -2.922 -0.249 818 H ILE 108 H ILE 108 -1.937 -3.602 -7.907 819 HA ILE 108 HA ILE 108 -4.700 -4.385 -7.518 820 HB ILE 108 HB ILE 108 -2.630 -5.560 -9.370 821 HG12 ILE 108 1HG1 ILE 108 -4.483 -3.202 -9.789 822 HG13 ILE 108 2HG1 ILE 108 -2.732 -3.205 -9.854 823 HG21 ILE 108 1HG2 ILE 108 -4.259 -6.826 -10.248 824 HG22 ILE 108 2HG2 ILE 108 -5.087 -6.538 -8.699 825 HG23 ILE 108 3HG2 ILE 108 -5.478 -5.536 -10.117 826 HD11 ILE 108 1HD1 ILE 108 -2.701 -4.530 -11.866 827 HD12 ILE 108 2HD1 ILE 108 -4.427 -4.932 -11.706 828 HD13 ILE 108 3HD1 ILE 108 -3.935 -3.272 -12.118 829 H CYS 109 H CYS 109 -5.366 -6.452 -6.765 830 HA CYS 109 HA CYS 109 -3.364 -8.275 -5.839 831 HB2 CYS 109 1HB CYS 109 -3.795 -8.195 -3.511 832 HB3 CYS 109 2HB CYS 109 -3.499 -6.539 -4.001 833 HG CYS 109 HG CYS 109 -5.830 -5.658 -3.972 834 H ARG 110 H ARG 110 -4.572 -10.237 -4.772 835 HA ARG 110 HA ARG 110 -6.992 -10.587 -6.314 836 HB2 ARG 110 1HB ARG 110 -5.138 -12.269 -6.536 837 HB3 ARG 110 2HB ARG 110 -5.267 -12.634 -4.827 838 HG2 ARG 110 1HG ARG 110 -6.978 -14.073 -5.207 839 HG3 ARG 110 2HG ARG 110 -7.908 -12.822 -6.008 840 HD2 ARG 110 1HD ARG 110 -6.173 -13.339 -8.018 841 HD3 ARG 110 2HD ARG 110 -6.074 -14.890 -7.210 842 HE ARG 110 HE ARG 110 -8.303 -13.920 -8.765 843 HH11 ARG 110 2HH2 ARG 110 -7.554 -15.839 -5.912 844 HH12 ARG 110 1HH2 ARG 110 -9.006 -16.779 -6.006 845 HH21 ARG 110 2HH1 ARG 110 -10.219 -15.160 -8.889 846 HH22 ARG 110 1HH1 ARG 110 -10.531 -16.390 -7.711 847 H ASP 111 H ASP 111 -8.589 -9.575 -4.996 848 HA ASP 111 HA ASP 111 -8.778 -9.489 -2.356 849 HB2 ASP 111 1HB ASP 111 -10.450 -8.884 -4.418 850 HB3 ASP 111 2HB ASP 111 -11.304 -10.277 -3.783 851 H GLY 112 H GLY 112 -9.783 -10.842 -0.670 852 HA2 GLY 112 1HA GLY 112 -9.892 -13.705 -1.403 853 HA3 GLY 112 2HA GLY 112 -9.386 -13.071 0.151 854 H THR 113 H THR 113 -12.228 -12.945 -2.116 855 HA THR 113 HA THR 113 -14.041 -13.970 -0.281 856 HB THR 113 HB THR 113 -13.721 -11.985 1.084 857 HG1 THR 113 1HG THR 113 -15.945 -11.532 -0.773 858 HG21 THR 113 1HG2 THR 113 -13.532 -9.806 0.283 859 HG22 THR 113 2HG2 THR 113 -12.896 -10.652 -1.148 860 HG23 THR 113 3HG2 THR 113 -14.595 -10.123 -1.109 861 H THR 114 H THR 114 -13.882 -11.281 -2.717 862 HA THR 114 HA THR 114 -16.300 -12.113 -3.947 863 HB THR 114 HB THR 114 -14.010 -10.242 -4.733 864 HG1 THR 114 1HG THR 114 -16.761 -10.063 -3.724 865 HG21 THR 114 1HG2 THR 114 -16.822 -10.342 -5.924 866 HG22 THR 114 2HG2 THR 114 -15.450 -9.339 -6.455 867 HG23 THR 114 3HG2 THR 114 -15.426 -11.098 -6.729 868 H ARG 115 H ARG 115 -13.115 -13.398 -3.992 869 HA ARG 115 HA ARG 115 -12.213 -15.013 -5.108 870 HB2 ARG 115 1HB ARG 115 -15.029 -15.417 -6.227 871 HB3 ARG 115 2HB ARG 115 -13.706 -16.515 -6.567 872 HG2 ARG 115 1HG ARG 115 -14.246 -15.829 -3.681 873 HG3 ARG 115 2HG ARG 115 -15.375 -16.900 -4.486 874 HD2 ARG 115 1HD ARG 115 -12.780 -17.831 -5.223 875 HD3 ARG 115 2HD ARG 115 -12.684 -17.476 -3.509 876 HE ARG 115 HE ARG 115 -14.259 -19.184 -3.061 877 HH11 ARG 115 2HH2 ARG 115 -13.987 -18.634 -6.526 878 HH12 ARG 115 1HH2 ARG 115 -14.865 -20.066 -6.952 879 HH21 ARG 115 2HH1 ARG 115 -15.417 -21.073 -3.622 880 HH22 ARG 115 1HH1 ARG 115 -15.684 -21.462 -5.288 881 H ARG 116 H ARG 116 -11.946 -12.396 -6.154 882 HA ARG 116 HA ARG 116 -11.412 -13.065 -8.880 883 HB2 ARG 116 1HB ARG 116 -12.596 -11.138 -9.844 884 HB3 ARG 116 2HB ARG 116 -13.742 -12.117 -8.950 885 HG2 ARG 116 1HG ARG 116 -13.508 -10.584 -6.980 886 HG3 ARG 116 2HG ARG 116 -12.372 -9.602 -7.883 887 HD2 ARG 116 1HD ARG 116 -15.344 -9.979 -8.382 888 HD3 ARG 116 2HD ARG 116 -14.461 -8.482 -8.157 889 HE ARG 116 HE ARG 116 -13.286 -9.427 -10.425 890 HH11 ARG 116 2HH2 ARG 116 -16.676 -9.167 -9.520 891 HH12 ARG 116 1HH2 ARG 116 -17.228 -8.967 -11.150 892 HH21 ARG 116 2HH1 ARG 116 -14.013 -9.164 -12.576 893 HH22 ARG 116 1HH1 ARG 116 -15.703 -8.966 -12.900 894 H TRP 117 H TRP 117 -10.650 -10.555 -9.861 895 HA TRP 117 HA TRP 117 -8.427 -9.950 -8.086 896 HB2 TRP 117 1HB TRP 117 -8.954 -9.050 -10.923 897 HB3 TRP 117 2HB TRP 117 -7.478 -8.812 -10.010 898 HD1 TRP 117 HD TRP 117 -9.353 -11.517 -11.970 899 HE1 TRP 117 1HE TRP 117 -7.846 -13.645 -12.374 900 HE3 TRP 117 3HE TRP 117 -5.565 -10.065 -8.904 901 HZ2 TRP 117 2HZ TRP 117 -5.296 -14.464 -11.388 902 HZ3 TRP 117 3HZ TRP 117 -3.604 -11.587 -8.681 903 HH2 TRP 117 HH TRP 117 -3.432 -13.720 -9.862 904 H ILE 118 H ILE 118 -8.178 -7.954 -7.059 905 HA ILE 118 HA ILE 118 -10.193 -5.921 -7.667 906 HB ILE 118 HB ILE 118 -9.586 -7.166 -5.003 907 HG12 ILE 118 1HG1 ILE 118 -11.479 -7.944 -6.540 908 HG13 ILE 118 2HG1 ILE 118 -11.879 -7.586 -4.872 909 HG21 ILE 118 1HG2 ILE 118 -9.284 -4.881 -4.502 910 HG22 ILE 118 2HG2 ILE 118 -10.635 -4.387 -5.550 911 HG23 ILE 118 3HG2 ILE 118 -10.958 -5.261 -4.033 912 HD11 ILE 118 1HD1 ILE 118 -13.577 -6.556 -6.256 913 HD12 ILE 118 2HD1 ILE 118 -12.558 -5.244 -5.616 914 HD13 ILE 118 3HD1 ILE 118 -12.347 -5.796 -7.295 915 H CYS 119 H CYS 119 -9.512 -3.734 -7.163 916 HA CYS 119 HA CYS 119 -6.598 -3.569 -6.883 917 HB2 CYS 119 1HB CYS 119 -7.132 -2.922 -9.117 918 HB3 CYS 119 2HB CYS 119 -8.481 -1.931 -8.597 919 HG CYS 119 HG CYS 119 -7.217 -0.074 -7.464 920 H HIS 120 H HIS 120 -5.807 -1.929 -5.447 921 HA HIS 120 HA HIS 120 -7.916 -0.673 -3.844 922 HB2 HIS 120 1HB HIS 120 -5.369 -2.048 -3.082 923 HB3 HIS 120 2HB HIS 120 -5.900 -0.692 -2.108 924 HD1 HIS 120 1HD HIS 120 -8.098 -0.983 -0.711 925 HD2 HIS 120 2HD HIS 120 -6.946 -4.387 -2.875 926 HE1 HIS 120 1HE HIS 120 -9.490 -2.916 0.203 927 H CYS 121 H CYS 121 -7.229 1.436 -2.804 928 HA CYS 121 HA CYS 121 -5.092 2.766 -4.239 929 HB2 CYS 121 1HB CYS 121 -7.800 4.099 -4.140 930 HB3 CYS 121 2HB CYS 121 -6.390 4.553 -5.075 931 HG CYS 121 HG CYS 121 -8.358 1.910 -5.351 932 H PHE 122 H PHE 122 -4.393 4.737 -3.074 933 HA PHE 122 HA PHE 122 -5.665 5.216 -0.518 934 HB2 PHE 122 1HB PHE 122 -2.708 4.449 -0.904 935 HB3 PHE 122 2HB PHE 122 -3.430 4.899 0.628 936 HD1 PHE 122 2HD PHE 122 -3.501 2.324 -2.034 937 HD2 PHE 122 1HD PHE 122 -4.508 3.293 1.973 938 HE1 PHE 122 2HE PHE 122 -4.068 -0.082 -1.594 939 HE2 PHE 122 1HE PHE 122 -5.074 0.888 2.412 940 HZ PHE 122 HZ PHE 122 -4.848 -0.771 0.624 941 H MET 123 H MET 123 -5.797 7.392 -0.260 942 HA MET 123 HA MET 123 -4.060 9.004 -1.909 943 HB2 MET 123 1HB MET 123 -6.738 9.235 -0.639 944 HB3 MET 123 2HB MET 123 -5.792 10.700 -0.467 945 HG2 MET 123 1HG MET 123 -5.738 9.466 -3.192 946 HG3 MET 123 2HG MET 123 -7.294 10.098 -2.690 947 HE1 MET 123 1HE MET 123 -4.379 12.447 -4.765 948 HE2 MET 123 2HE MET 123 -4.459 10.680 -4.562 949 HE3 MET 123 3HE MET 123 -5.860 11.566 -5.210 950 H ALA 124 H ALA 124 -2.040 9.077 -0.876 951 HA ALA 124 HA ALA 124 -1.454 9.075 1.742 952 HB1 ALA 124 1HB ALA 124 -0.129 9.605 -0.645 953 HB2 ALA 124 2HB ALA 124 0.092 11.106 0.286 954 HB3 ALA 124 3HB ALA 124 0.615 9.549 0.971 955 H VAL 125 H VAL 125 -1.308 10.565 3.467 956 HA VAL 125 HA VAL 125 -3.241 12.667 3.334 957 HB VAL 125 HB VAL 125 -1.370 11.614 5.452 958 HG11 VAL 125 1HG1 VAL 125 -2.771 14.184 5.357 959 HG12 VAL 125 2HG1 VAL 125 -3.225 13.200 6.769 960 HG13 VAL 125 3HG1 VAL 125 -1.516 13.603 6.477 961 HG21 VAL 125 1HG2 VAL 125 -3.102 10.361 6.180 962 HG22 VAL 125 2HG2 VAL 125 -4.300 11.637 5.857 963 HG23 VAL 125 3HG2 VAL 125 -3.728 10.597 4.531 964 H LYS 126 H LYS 126 0.305 12.586 4.158 965 HA LYS 126 HA LYS 126 0.534 15.151 2.769 966 HB2 LYS 126 1HB LYS 126 2.006 15.968 4.605 967 HB3 LYS 126 2HB LYS 126 0.325 15.786 5.064 968 HG2 LYS 126 1HG LYS 126 1.094 13.352 5.826 969 HG3 LYS 126 2HG LYS 126 2.694 14.066 5.835 970 HD2 LYS 126 1HD LYS 126 0.382 15.441 7.248 971 HD3 LYS 126 2HD LYS 126 1.262 14.146 8.035 972 HE2 LYS 126 1HE LYS 126 2.560 15.927 8.754 973 HE3 LYS 126 2HE LYS 126 3.397 15.590 7.252 974 HZ1 LYS 126 1HZ LYS 126 2.803 17.559 6.512 975 HZ2 LYS 126 2HZ LYS 126 1.214 17.267 6.756 976 HZ3 LYS 126 3HZ LYS 126 2.120 17.912 7.953 977 H ASP 127 H ASP 127 1.065 12.625 1.655 978 HA ASP 127 HA ASP 127 3.956 12.828 1.493 979 HB2 ASP 127 1HB ASP 127 2.496 10.625 2.603 980 HB3 ASP 127 2HB ASP 127 3.082 10.090 1.041 981 H THR 128 H THR 128 4.399 10.877 -0.488 982 HA THR 128 HA THR 128 2.478 11.554 -2.612 983 HB THR 128 HB THR 128 4.513 12.988 -2.791 984 HG1 THR 128 1HG THR 128 5.136 11.932 -4.953 985 HG21 THR 128 1HG2 THR 128 6.030 10.361 -3.186 986 HG22 THR 128 2HG2 THR 128 6.705 12.008 -3.189 987 HG23 THR 128 3HG2 THR 128 6.101 11.297 -1.673 988 H GLY 129 H GLY 129 1.990 9.948 -4.092 989 HA2 GLY 129 1HA GLY 129 1.883 7.365 -3.302 990 HA3 GLY 129 2HA GLY 129 1.931 7.871 -4.979 991 H GLU 130 H GLU 130 4.609 8.996 -5.024 992 HA GLU 130 HA GLU 130 6.051 6.823 -5.726 993 HB2 GLU 130 1HB GLU 130 6.445 9.560 -5.713 994 HB3 GLU 130 2HB GLU 130 7.676 9.032 -4.582 995 HG2 GLU 130 1HG GLU 130 8.865 8.794 -6.563 996 HG3 GLU 130 2HG GLU 130 8.166 7.190 -6.462 997 H ARG 131 H ARG 131 5.866 8.438 -2.509 998 HA ARG 131 HA ARG 131 7.901 6.917 -1.372 999 HB2 ARG 131 1HB ARG 131 6.154 9.023 -0.581 1000 HB3 ARG 131 2HB ARG 131 5.850 7.728 0.560 1001 HG2 ARG 131 1HG ARG 131 7.991 7.811 1.455 1002 HG3 ARG 131 2HG ARG 131 8.731 8.273 -0.065 1003 HD2 ARG 131 1HD ARG 131 6.945 10.165 1.532 1004 HD3 ARG 131 2HD ARG 131 8.680 10.087 1.762 1005 HE ARG 131 HE ARG 131 7.878 10.440 -1.041 1006 HH11 ARG 131 2HH2 ARG 131 8.679 12.070 1.973 1007 HH12 ARG 131 1HH2 ARG 131 9.109 13.560 1.201 1008 HH21 ARG 131 2HH1 ARG 131 8.445 12.406 -2.060 1009 HH22 ARG 131 1HH1 ARG 131 8.975 13.752 -1.108 1010 H LEU 132 H LEU 132 4.279 6.646 -1.318 1011 HA LEU 132 HA LEU 132 4.128 4.419 0.324 1012 HB2 LEU 132 1HB LEU 132 2.315 5.376 -1.894 1013 HB3 LEU 132 2HB LEU 132 1.905 4.093 -0.773 1014 HG LEU 132 HG LEU 132 2.393 5.890 1.069 1015 HD11 LEU 132 1HD1 LEU 132 2.518 7.465 -1.408 1016 HD12 LEU 132 2HD1 LEU 132 1.414 8.123 -0.177 1017 HD13 LEU 132 3HD1 LEU 132 3.123 7.831 0.225 1018 HD21 LEU 132 1HD2 LEU 132 -0.118 6.307 -0.545 1019 HD22 LEU 132 2HD2 LEU 132 0.185 4.796 0.346 1020 HD23 LEU 132 3HD2 LEU 132 0.106 6.344 1.221 1021 H SER 133 H SER 133 4.982 4.768 -3.104 1022 HA SER 133 HA SER 133 4.577 2.076 -3.752 1023 HB2 SER 133 1HB SER 133 5.058 2.834 -5.828 1024 HB3 SER 133 2HB SER 133 5.247 4.425 -5.118 1025 HG SER 133 HG SER 133 7.222 2.563 -5.949 1026 H HIS 134 H HIS 134 7.109 3.862 -2.080 1027 HA HIS 134 HA HIS 134 9.156 1.949 -2.556 1028 HB2 HIS 134 1HB HIS 134 9.622 4.317 -2.099 1029 HB3 HIS 134 2HB HIS 134 8.923 4.164 -0.499 1030 HD1 HIS 134 1HD HIS 134 10.335 2.975 1.336 1031 HD2 HIS 134 2HD HIS 134 12.204 3.165 -2.414 1032 HE1 HIS 134 1HE HIS 134 12.773 2.330 1.720 1033 H ALA 135 H ALA 135 7.158 2.833 0.353 1034 HA ALA 135 HA ALA 135 8.037 0.892 2.047 1035 HB1 ALA 135 1HB ALA 135 5.125 1.707 1.794 1036 HB2 ALA 135 2HB ALA 135 6.033 1.293 3.267 1037 HB3 ALA 135 3HB ALA 135 6.373 2.815 2.411 1038 H VAL 136 H VAL 136 5.282 0.641 -0.311 1039 HA VAL 136 HA VAL 136 4.755 -2.047 0.235 1040 HB VAL 136 HB VAL 136 3.233 -0.450 -0.861 1041 HG11 VAL 136 1HG1 VAL 136 5.180 0.433 -2.371 1042 HG12 VAL 136 2HG1 VAL 136 4.676 -0.876 -3.466 1043 HG13 VAL 136 3HG1 VAL 136 3.517 0.394 -3.004 1044 HG21 VAL 136 1HG2 VAL 136 3.835 -3.166 -1.872 1045 HG22 VAL 136 2HG2 VAL 136 2.317 -2.480 -1.245 1046 HG23 VAL 136 3HG2 VAL 136 2.805 -2.170 -2.928 1047 H GLY 137 H GLY 137 7.101 -0.404 -1.897 1048 HA2 GLY 137 1HA GLY 137 7.835 -2.808 -3.296 1049 HA3 GLY 137 2HA GLY 137 8.611 -1.239 -3.374 1050 H CYS 138 H CYS 138 8.371 -1.659 -0.122 1051 HA CYS 138 HA CYS 138 11.092 -2.598 0.025 1052 HB2 CYS 138 1HB CYS 138 9.212 -1.399 2.077 1053 HB3 CYS 138 2HB CYS 138 10.807 -2.002 2.482 1054 HG CYS 138 HG CYS 138 10.684 0.679 2.187 1055 H ALA 139 H ALA 139 7.899 -3.328 1.628 1056 HA ALA 139 HA ALA 139 8.668 -5.643 2.897 1057 HB1 ALA 139 1HB ALA 139 6.592 -4.986 3.587 1058 HB2 ALA 139 2HB ALA 139 6.132 -4.381 1.978 1059 HB3 ALA 139 3HB ALA 139 6.053 -6.124 2.330 1060 H PHE 140 H PHE 140 7.633 -5.081 -0.498 1061 HA PHE 140 HA PHE 140 7.284 -7.719 -1.240 1062 HB2 PHE 140 1HB PHE 140 7.258 -5.148 -2.364 1063 HB3 PHE 140 2HB PHE 140 8.654 -5.853 -3.154 1064 HD1 PHE 140 2HD PHE 140 5.036 -6.408 -2.526 1065 HD2 PHE 140 1HD PHE 140 8.383 -7.299 -4.978 1066 HE1 PHE 140 2HE PHE 140 3.526 -7.554 -4.171 1067 HE2 PHE 140 1HE PHE 140 6.873 -8.445 -6.623 1068 HZ PHE 140 HZ PHE 140 4.462 -8.558 -6.200 1069 H ALA 141 H ALA 141 10.250 -5.638 -1.598 1070 HA ALA 141 HA ALA 141 11.875 -7.616 -2.645 1071 HB1 ALA 141 1HB ALA 141 12.517 -5.198 -0.910 1072 HB2 ALA 141 2HB ALA 141 13.723 -6.139 -1.820 1073 HB3 ALA 141 3HB ALA 141 12.449 -5.250 -2.688 1074 H ALA 142 H ALA 142 10.851 -6.922 0.700 1075 HA ALA 142 HA ALA 142 12.809 -8.617 1.885 1076 HB1 ALA 142 1HB ALA 142 11.710 -8.083 3.918 1077 HB2 ALA 142 2HB ALA 142 11.533 -6.625 2.913 1078 HB3 ALA 142 3HB ALA 142 10.167 -7.751 3.095 1079 H CYS 143 H CYS 143 9.191 -8.905 1.582 1080 HA CYS 143 HA CYS 143 8.989 -11.489 2.387 1081 HB2 CYS 143 1HB CYS 143 7.089 -9.942 1.931 1082 HB3 CYS 143 2HB CYS 143 7.328 -10.176 0.211 1083 HG CYS 143 HG CYS 143 6.458 -12.414 -0.054 1084 H LEU 144 H LEU 144 9.763 -10.145 -0.877 1085 HA LEU 144 HA LEU 144 9.830 -12.671 -2.148 1086 HB2 LEU 144 1HB LEU 144 10.861 -9.935 -2.878 1087 HB3 LEU 144 2HB LEU 144 11.069 -11.330 -3.918 1088 HG LEU 144 HG LEU 144 8.525 -9.915 -3.146 1089 HD11 LEU 144 1HD1 LEU 144 9.906 -10.602 -5.742 1090 HD12 LEU 144 2HD1 LEU 144 8.207 -10.079 -5.668 1091 HD13 LEU 144 3HD1 LEU 144 9.497 -9.000 -5.085 1092 HD21 LEU 144 1HD2 LEU 144 8.860 -12.787 -3.873 1093 HD22 LEU 144 2HD2 LEU 144 7.653 -11.993 -2.832 1094 HD23 LEU 144 3HD2 LEU 144 7.505 -11.893 -4.603 1095 H GLU 145 H GLU 145 12.208 -10.623 -0.426 1096 HA GLU 145 HA GLU 145 14.494 -11.853 -1.258 1097 HB2 GLU 145 1HB GLU 145 13.648 -10.149 0.968 1098 HB3 GLU 145 2HB GLU 145 14.894 -11.270 1.479 1099 HG2 GLU 145 1HG GLU 145 15.604 -10.225 -1.132 1100 HG3 GLU 145 2HG GLU 145 15.202 -8.880 -0.083 1101 H ARG 146 H ARG 146 11.873 -13.161 0.592 1102 HA ARG 146 HA ARG 146 13.509 -15.104 1.898 1103 HB2 ARG 146 1HB ARG 146 10.516 -14.565 1.765 1104 HB3 ARG 146 2HB ARG 146 11.120 -16.038 2.496 1105 HG2 ARG 146 1HG ARG 146 12.188 -14.895 4.261 1106 HG3 ARG 146 2HG ARG 146 12.328 -13.402 3.354 1107 HD2 ARG 146 1HD ARG 146 10.097 -12.773 3.765 1108 HD3 ARG 146 2HD ARG 146 9.555 -14.425 3.982 1109 HE ARG 146 HE ARG 146 11.473 -13.650 6.029 1110 HH11 ARG 146 2HH2 ARG 146 8.087 -13.427 5.096 1111 HH12 ARG 146 1HH2 ARG 146 7.522 -13.206 6.718 1112 HH21 ARG 146 2HH1 ARG 146 10.728 -13.359 8.170 1113 HH22 ARG 146 1HH1 ARG 146 9.035 -13.167 8.478 1114 H LYS 147 H LYS 147 11.386 -14.788 -0.958 1115 HA LYS 147 HA LYS 147 11.539 -17.639 -1.479 1116 HB2 LYS 147 1HB LYS 147 9.790 -17.341 -2.942 1117 HB3 LYS 147 2HB LYS 147 9.469 -16.071 -1.778 1118 HG2 LYS 147 1HG LYS 147 10.589 -14.407 -3.244 1119 HG3 LYS 147 2HG LYS 147 10.997 -15.666 -4.393 1120 HD2 LYS 147 1HD LYS 147 8.956 -14.369 -5.065 1121 HD3 LYS 147 2HD LYS 147 8.638 -16.083 -4.887 1122 HE2 LYS 147 1HE LYS 147 8.257 -14.482 -2.396 1123 HE3 LYS 147 2HE LYS 147 7.146 -14.090 -3.694 1124 HZ1 LYS 147 1HZ LYS 147 6.271 -16.172 -3.663 1125 HZ2 LYS 147 2HZ LYS 147 7.613 -16.889 -3.068 1126 HZ3 LYS 147 3HZ LYS 147 6.646 -16.018 -2.081 1127 H GLN 148 H GLN 148 12.508 -14.494 -3.004 1128 HA GLN 148 HA GLN 148 14.378 -16.058 -4.601 1129 HB2 GLN 148 1HB GLN 148 14.419 -14.041 -6.113 1130 HB3 GLN 148 2HB GLN 148 12.852 -14.818 -6.010 1131 HG2 GLN 148 1HG GLN 148 11.955 -13.109 -4.604 1132 HG3 GLN 148 2HG GLN 148 13.541 -12.521 -4.147 1133 HE21 GLN 148 1HE2 GLN 148 13.012 -10.430 -4.741 1134 HE22 GLN 148 2HE2 GLN 148 12.930 -9.904 -6.389 1135 H LYS 149 H LYS 149 16.420 -14.574 -5.232 1136 HA LYS 149 HA LYS 149 17.359 -13.440 -2.691 1137 HB2 LYS 149 1HB LYS 149 18.815 -14.944 -4.875 1138 HB3 LYS 149 2HB LYS 149 19.652 -14.014 -3.649 1139 HG2 LYS 149 1HG LYS 149 18.174 -15.380 -1.940 1140 HG3 LYS 149 2HG LYS 149 17.913 -16.474 -3.284 1141 HD2 LYS 149 1HD LYS 149 19.823 -17.438 -2.374 1142 HD3 LYS 149 2HD LYS 149 20.572 -16.339 -3.515 1143 HE2 LYS 149 1HE LYS 149 20.067 -14.880 -1.068 1144 HE3 LYS 149 2HE LYS 149 20.853 -16.389 -0.648 1145 HZ1 LYS 149 1HZ LYS 149 22.045 -15.221 -2.919 1146 HZ2 LYS 149 2HZ LYS 149 22.049 -14.173 -1.666 1147 HZ3 LYS 149 3HZ LYS 149 22.731 -15.648 -1.500 1148 H ARG 150 H ARG 150 18.390 -11.419 -2.688 1149 HA ARG 150 HA ARG 150 17.602 -9.775 -4.852 1150 HB2 ARG 150 1HB ARG 150 18.139 -9.389 -2.134 1151 HB3 ARG 150 2HB ARG 150 19.516 -8.619 -2.896 1152 HG2 ARG 150 1HG ARG 150 17.963 -7.276 -4.335 1153 HG3 ARG 150 2HG ARG 150 16.589 -8.040 -3.560 1154 HD2 ARG 150 1HD ARG 150 16.688 -6.575 -1.826 1155 HD3 ARG 150 2HD ARG 150 18.353 -7.014 -1.497 1156 HE ARG 150 HE ARG 150 19.076 -5.115 -2.672 1157 HH11 ARG 150 2HH2 ARG 150 15.683 -5.714 -3.385 1158 HH12 ARG 150 1HH2 ARG 150 15.463 -4.217 -4.228 1159 HH21 ARG 150 2HH1 ARG 150 18.787 -3.140 -3.785 1160 HH22 ARG 150 1HH1 ARG 150 17.241 -2.743 -4.457 1161 H SER 151 H SER 151 19.224 -8.205 -5.913 1162 HA SER 151 HA SER 151 21.918 -8.578 -5.849 1163 HB2 SER 151 1HB SER 151 20.526 -10.632 -7.453 1164 HB3 SER 151 2HB SER 151 21.738 -9.764 -8.374 1165 HG SER 151 HG SER 151 23.213 -10.943 -7.385 1166 H GLY 152 H GLY 152 22.548 -6.597 -6.615 1167 HA2 GLY 152 1HA GLY 152 22.088 -5.647 -9.173 1168 HA3 GLY 152 2HA GLY 152 20.808 -4.982 -8.177 1169 HA PRO 153 HA PRO 153 24.670 -2.513 -7.641 1170 HB2 PRO 153 1HB PRO 153 24.034 -0.284 -9.088 1171 HB3 PRO 153 2HB PRO 153 25.018 -1.588 -9.721 1172 HG2 PRO 153 1HG PRO 153 22.198 -0.936 -10.320 1173 HG3 PRO 153 2HG PRO 153 23.309 -1.940 -11.230 1174 HD2 PRO 153 1HD PRO 153 21.184 -2.840 -9.526 1175 HD3 PRO 153 2HD PRO 153 22.368 -3.841 -10.343 1176 H SER 154 H SER 154 24.880 -0.124 -6.792 1177 HA SER 154 HA SER 154 22.423 0.579 -5.470 1178 HB2 SER 154 1HB SER 154 23.632 0.725 -3.233 1179 HB3 SER 154 2HB SER 154 23.302 -0.900 -3.800 1180 HG SER 154 HG SER 154 25.787 0.484 -3.601 1181 H SER 155 H SER 155 26.011 1.192 -5.595 1182 HA SER 155 HA SER 155 25.474 3.854 -6.476 1183 HB2 SER 155 1HB SER 155 26.855 4.905 -4.649 1184 HB3 SER 155 2HB SER 155 25.321 4.264 -4.094 1185 HG SER 155 HG SER 155 27.914 3.510 -3.409 1186 H GLY 156 H GLY 156 26.781 3.752 -8.281 1187 HA2 GLY 156 1HA GLY 156 29.620 3.137 -7.837 1188 HA3 GLY 156 2HA GLY 156 28.741 2.244 -9.062 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.200 0.307 24.954 2 HA2 GLY 1 1HA GLY 1 0.806 1.902 27.400 3 HA3 GLY 1 2HA GLY 1 2.419 1.417 26.915 4 H SER 2 H SER 2 2.882 3.769 26.756 5 HA SER 2 HA SER 2 2.558 4.610 24.080 6 HB2 SER 2 1HB SER 2 1.280 6.366 26.221 7 HB3 SER 2 2HB SER 2 1.369 6.715 24.506 8 HG SER 2 HG SER 2 -0.220 5.278 24.067 9 H SER 3 H SER 3 3.630 6.936 23.850 10 HA SER 3 HA SER 3 5.856 6.947 25.728 11 HB2 SER 3 1HB SER 3 6.457 6.504 23.361 12 HB3 SER 3 2HB SER 3 5.687 7.999 22.869 13 HG SER 3 HG SER 3 8.150 7.917 23.296 14 H GLY 4 H GLY 4 3.931 9.199 23.603 15 HA2 GLY 4 1HA GLY 4 2.797 11.083 24.343 16 HA3 GLY 4 2HA GLY 4 3.693 11.057 25.849 17 H SER 5 H SER 5 3.437 12.475 22.731 18 HA SER 5 HA SER 5 4.559 14.012 21.689 19 HB2 SER 5 1HB SER 5 4.686 14.914 24.148 20 HB3 SER 5 2HB SER 5 6.371 14.434 24.087 21 HG SER 5 HG SER 5 6.622 15.802 22.180 22 H SER 6 H SER 6 6.634 14.444 20.533 23 HA SER 6 HA SER 6 8.941 13.031 21.114 24 HB2 SER 6 1HB SER 6 7.012 11.333 20.019 25 HB3 SER 6 2HB SER 6 7.962 11.787 18.619 26 HG SER 6 HG SER 6 9.418 11.085 20.954 27 H GLY 7 H GLY 7 6.875 13.960 18.261 28 HA2 GLY 7 1HA GLY 7 7.388 16.074 17.183 29 HA3 GLY 7 2HA GLY 7 9.091 15.707 17.371 30 H ALA 8 H ALA 8 9.725 15.619 15.206 31 HA ALA 8 HA ALA 8 8.376 14.731 13.063 32 HB1 ALA 8 1HB ALA 8 10.810 13.873 12.378 33 HB2 ALA 8 2HB ALA 8 10.455 15.607 12.566 34 HB3 ALA 8 3HB ALA 8 11.265 14.717 13.878 35 H SER 9 H SER 9 8.432 12.670 11.818 36 HA SER 9 HA SER 9 8.129 10.478 13.687 37 HB2 SER 9 1HB SER 9 7.322 10.622 10.749 38 HB3 SER 9 2HB SER 9 6.859 9.377 11.892 39 HG SER 9 HG SER 9 5.133 10.839 11.750 40 H ARG 10 H ARG 10 10.541 10.289 13.900 41 HA ARG 10 HA ARG 10 12.441 9.361 13.460 42 HB2 ARG 10 1HB ARG 10 10.723 7.690 11.570 43 HB3 ARG 10 2HB ARG 10 12.428 7.357 11.800 44 HG2 ARG 10 1HG ARG 10 10.317 7.402 14.009 45 HG3 ARG 10 2HG ARG 10 11.020 5.960 13.303 46 HD2 ARG 10 1HD ARG 10 13.287 7.406 14.045 47 HD3 ARG 10 2HD ARG 10 12.158 7.814 15.322 48 HE ARG 10 HE ARG 10 12.134 4.962 14.769 49 HH11 ARG 10 2HH2 ARG 10 13.925 7.490 16.437 50 HH12 ARG 10 1HH2 ARG 10 14.616 6.409 17.601 51 HH21 ARG 10 2HH1 ARG 10 13.045 3.536 16.304 52 HH22 ARG 10 1HH1 ARG 10 14.112 4.145 17.525 53 HA PRO 11 HA PRO 11 14.162 11.258 9.931 54 HB2 PRO 11 1HB PRO 11 16.550 9.964 9.633 55 HB3 PRO 11 2HB PRO 11 16.285 11.225 10.820 56 HG2 PRO 11 1HG PRO 11 16.477 8.303 11.230 57 HG3 PRO 11 2HG PRO 11 16.639 9.590 12.409 58 HD2 PRO 11 1HD PRO 11 14.362 7.886 12.029 59 HD3 PRO 11 2HD PRO 11 14.482 9.246 13.128 60 H HIS 12 H HIS 12 15.601 10.632 7.778 61 HA HIS 12 HA HIS 12 15.414 9.777 5.767 62 HB2 HIS 12 1HB HIS 12 14.666 7.382 7.427 63 HB3 HIS 12 2HB HIS 12 14.606 7.293 5.678 64 HD1 HIS 12 1HD HIS 12 16.735 6.112 8.049 65 HD2 HIS 12 2HD HIS 12 17.400 8.778 4.879 66 HE1 HIS 12 1HE HIS 12 19.239 6.033 7.561 67 H GLN 13 H GLN 13 13.676 8.521 4.205 68 HA GLN 13 HA GLN 13 11.029 9.393 4.998 69 HB2 GLN 13 1HB GLN 13 12.424 10.197 2.409 70 HB3 GLN 13 2HB GLN 13 10.704 10.391 2.687 71 HG2 GLN 13 1HG GLN 13 12.668 11.520 4.700 72 HG3 GLN 13 2HG GLN 13 12.375 12.390 3.208 73 HE21 GLN 13 1HE2 GLN 13 11.390 11.896 6.343 74 HE22 GLN 13 2HE2 GLN 13 9.810 12.605 6.300 75 H TRP 14 H TRP 14 13.035 7.813 2.414 76 HA TRP 14 HA TRP 14 10.802 6.045 1.818 77 HB2 TRP 14 1HB TRP 14 13.497 6.415 0.499 78 HB3 TRP 14 2HB TRP 14 12.278 5.270 -0.023 79 HD1 TRP 14 HD TRP 14 12.034 9.102 0.787 80 HE1 TRP 14 1HE TRP 14 10.777 10.369 -1.157 81 HE3 TRP 14 3HE TRP 14 11.315 5.001 -2.131 82 HZ2 TRP 14 2HZ TRP 14 9.648 9.533 -3.641 83 HZ3 TRP 14 3HZ TRP 14 10.126 5.313 -4.300 84 HH2 TRP 14 HH TRP 14 9.305 7.483 -5.068 85 H GLN 15 H GLN 15 14.380 5.745 2.454 86 HA GLN 15 HA GLN 15 14.495 3.119 2.911 87 HB2 GLN 15 1HB GLN 15 16.546 4.264 2.964 88 HB3 GLN 15 2HB GLN 15 15.975 5.460 4.111 89 HG2 GLN 15 1HG GLN 15 16.361 4.097 5.953 90 HG3 GLN 15 2HG GLN 15 16.001 2.622 5.079 91 HE21 GLN 15 1HE2 GLN 15 17.554 1.678 3.732 92 HE22 GLN 15 2HE2 GLN 15 19.247 2.004 3.895 93 H THR 16 H THR 16 13.445 5.659 5.249 94 HA THR 16 HA THR 16 13.287 4.231 7.556 95 HB THR 16 HB THR 16 12.780 6.637 7.359 96 HG1 THR 16 1HG THR 16 11.729 5.669 9.139 97 HG21 THR 16 1HG2 THR 16 11.288 6.064 5.139 98 HG22 THR 16 2HG2 THR 16 10.000 6.081 6.367 99 HG23 THR 16 3HG2 THR 16 11.017 7.521 6.125 100 H ASP 17 H ASP 17 11.369 3.784 4.630 101 HA ASP 17 HA ASP 17 9.349 2.323 5.964 102 HB2 ASP 17 1HB ASP 17 10.160 2.527 3.028 103 HB3 ASP 17 2HB ASP 17 8.752 1.636 3.572 104 H GLU 18 H GLU 18 12.315 1.632 4.012 105 HA GLU 18 HA GLU 18 12.012 -1.065 3.727 106 HB2 GLU 18 1HB GLU 18 14.568 0.553 4.113 107 HB3 GLU 18 2HB GLU 18 14.529 -1.100 3.532 108 HG2 GLU 18 1HG GLU 18 12.719 0.005 1.815 109 HG3 GLU 18 2HG GLU 18 13.693 1.425 2.144 110 H GLU 19 H GLU 19 12.544 0.791 6.615 111 HA GLU 19 HA GLU 19 13.636 -1.497 8.003 112 HB2 GLU 19 1HB GLU 19 13.120 1.374 8.890 113 HB3 GLU 19 2HB GLU 19 13.775 0.135 9.942 114 HG2 GLU 19 1HG GLU 19 15.542 -0.201 7.980 115 HG3 GLU 19 2HG GLU 19 15.041 1.409 7.504 116 H GLY 20 H GLY 20 11.039 0.952 8.734 117 HA2 GLY 20 1HA GLY 20 9.643 -0.326 10.641 118 HA3 GLY 20 2HA GLY 20 8.893 0.642 9.388 119 H VAL 21 H VAL 21 9.920 -1.291 7.233 120 HA VAL 21 HA VAL 21 7.621 -2.958 7.240 121 HB VAL 21 HB VAL 21 8.612 -1.944 5.233 122 HG11 VAL 21 1HG1 VAL 21 10.833 -3.989 5.388 123 HG12 VAL 21 2HG1 VAL 21 10.688 -2.572 4.319 124 HG13 VAL 21 3HG1 VAL 21 11.016 -2.348 6.054 125 HG21 VAL 21 1HG2 VAL 21 8.439 -3.914 3.776 126 HG22 VAL 21 2HG2 VAL 21 8.601 -4.982 5.191 127 HG23 VAL 21 3HG2 VAL 21 7.177 -3.926 5.031 128 H ARG 22 H ARG 22 11.190 -3.544 7.549 129 HA ARG 22 HA ARG 22 10.763 -6.288 8.028 130 HB2 ARG 22 1HB ARG 22 13.234 -6.257 8.617 131 HB3 ARG 22 2HB ARG 22 12.874 -5.571 7.046 132 HG2 ARG 22 1HG ARG 22 12.985 -3.283 7.969 133 HG3 ARG 22 2HG ARG 22 13.199 -3.912 9.590 134 HD2 ARG 22 1HD ARG 22 15.260 -5.201 8.315 135 HD3 ARG 22 2HD ARG 22 15.171 -3.746 7.342 136 HE ARG 22 HE ARG 22 15.992 -2.510 9.152 137 HH11 ARG 22 2HH2 ARG 22 14.811 -5.613 10.319 138 HH12 ARG 22 1HH2 ARG 22 15.412 -5.381 11.927 139 HH21 ARG 22 2HH1 ARG 22 16.785 -2.204 11.273 140 HH22 ARG 22 1HH1 ARG 22 16.542 -3.429 12.473 141 H THR 23 H THR 23 11.397 -3.355 10.026 142 HA THR 23 HA THR 23 11.595 -4.839 12.470 143 HB THR 23 HB THR 23 11.878 -2.620 13.432 144 HG1 THR 23 1HG THR 23 10.923 -1.712 10.812 145 HG21 THR 23 1HG2 THR 23 13.591 -3.420 11.520 146 HG22 THR 23 2HG2 THR 23 12.866 -2.061 10.628 147 HG23 THR 23 3HG2 THR 23 13.681 -1.771 12.184 148 H GLY 24 H GLY 24 9.198 -2.312 11.455 149 HA2 GLY 24 1HA GLY 24 6.855 -3.367 11.451 150 HA3 GLY 24 2HA GLY 24 7.221 -3.715 13.128 151 H LYS 25 H LYS 25 7.749 -0.864 10.921 152 HA LYS 25 HA LYS 25 5.928 0.739 12.393 153 HB2 LYS 25 1HB LYS 25 7.752 2.391 13.124 154 HB3 LYS 25 2HB LYS 25 7.498 0.960 14.101 155 HG2 LYS 25 1HG LYS 25 9.835 0.965 13.874 156 HG3 LYS 25 2HG LYS 25 9.361 -0.129 12.590 157 HD2 LYS 25 1HD LYS 25 9.467 1.742 10.941 158 HD3 LYS 25 2HD LYS 25 9.907 2.856 12.221 159 HE2 LYS 25 1HE LYS 25 11.649 0.475 12.188 160 HE3 LYS 25 2HE LYS 25 11.684 1.332 10.660 161 HZ1 LYS 25 1HZ LYS 25 12.692 2.139 13.190 162 HZ2 LYS 25 2HZ LYS 25 13.089 2.668 11.697 163 HZ3 LYS 25 3HZ LYS 25 11.804 3.308 12.475 164 H CYS 26 H CYS 26 6.275 -0.144 9.679 165 HA CYS 26 HA CYS 26 7.272 2.268 8.376 166 HB2 CYS 26 1HB CYS 26 8.244 0.251 7.491 167 HB3 CYS 26 2HB CYS 26 6.673 -0.505 7.306 168 HG CYS 26 HG CYS 26 7.151 2.454 6.002 169 H SER 27 H SER 27 5.142 3.129 9.571 170 HA SER 27 HA SER 27 2.973 2.771 7.654 171 HB2 SER 27 1HB SER 27 1.351 2.843 9.391 172 HB3 SER 27 2HB SER 27 2.593 1.762 9.989 173 HG SER 27 HG SER 27 3.378 4.170 10.796 174 H PHE 28 H PHE 28 1.804 4.699 7.072 175 HA PHE 28 HA PHE 28 2.819 7.177 8.235 176 HB2 PHE 28 1HB PHE 28 2.476 7.750 5.525 177 HB3 PHE 28 2HB PHE 28 4.029 7.393 6.256 178 HD1 PHE 28 1HD PHE 28 4.799 4.949 6.268 179 HD2 PHE 28 2HD PHE 28 1.601 6.357 3.860 180 HE1 PHE 28 1HE PHE 28 5.042 2.946 4.775 181 HE2 PHE 28 2HE PHE 28 1.843 4.353 2.367 182 HZ PHE 28 HZ PHE 28 3.561 2.672 2.843 183 HA PRO 29 HA PRO 29 -1.303 8.454 7.865 184 HB2 PRO 29 1HB PRO 29 -1.120 11.143 7.407 185 HB3 PRO 29 2HB PRO 29 -0.912 10.424 8.992 186 HG2 PRO 29 1HG PRO 29 1.144 11.504 7.163 187 HG3 PRO 29 2HG PRO 29 1.263 11.182 8.881 188 HD2 PRO 29 1HD PRO 29 2.344 9.586 6.757 189 HD3 PRO 29 2HD PRO 29 2.363 9.206 8.467 190 H VAL 30 H VAL 30 -2.673 7.723 6.376 191 HA VAL 30 HA VAL 30 -2.556 9.129 3.828 192 HB VAL 30 HB VAL 30 -2.326 7.248 2.520 193 HG11 VAL 30 1HG1 VAL 30 -0.337 6.053 3.287 194 HG12 VAL 30 2HG1 VAL 30 -0.216 7.784 3.683 195 HG13 VAL 30 3HG1 VAL 30 -0.624 6.608 4.954 196 HG21 VAL 30 1HG2 VAL 30 -4.072 5.918 3.699 197 HG22 VAL 30 2HG2 VAL 30 -2.657 4.953 3.215 198 HG23 VAL 30 3HG2 VAL 30 -2.854 5.453 4.912 199 H LYS 31 H LYS 31 -4.554 7.921 2.454 200 HA LYS 31 HA LYS 31 -6.788 7.805 4.352 201 HB2 LYS 31 1HB LYS 31 -6.512 9.504 1.873 202 HB3 LYS 31 2HB LYS 31 -8.086 9.032 2.482 203 HG2 LYS 31 1HG LYS 31 -7.991 10.626 4.091 204 HG3 LYS 31 2HG LYS 31 -6.499 9.953 4.718 205 HD2 LYS 31 1HD LYS 31 -6.013 12.230 4.082 206 HD3 LYS 31 2HD LYS 31 -5.242 11.203 2.890 207 HE2 LYS 31 1HE LYS 31 -6.315 12.541 1.369 208 HE3 LYS 31 2HE LYS 31 -7.705 11.530 1.715 209 HZ1 LYS 31 1HZ LYS 31 -8.040 13.970 1.941 210 HZ2 LYS 31 2HZ LYS 31 -8.499 13.094 3.241 211 HZ3 LYS 31 3HZ LYS 31 -7.101 13.937 3.276 212 H TYR 32 H TYR 32 -8.339 6.241 3.926 213 HA TYR 32 HA TYR 32 -7.554 4.296 1.920 214 HB2 TYR 32 1HB TYR 32 -8.210 3.825 4.373 215 HB3 TYR 32 2HB TYR 32 -9.814 4.430 4.012 216 HD1 TYR 32 2HD TYR 32 -7.848 2.345 1.661 217 HD2 TYR 32 1HD TYR 32 -11.005 2.416 4.549 218 HE1 TYR 32 2HE TYR 32 -8.569 0.016 0.940 219 HE2 TYR 32 1HE TYR 32 -11.715 0.086 3.818 220 HH TYR 32 HH TYR 32 -11.430 -1.511 2.380 221 H LEU 33 H LEU 33 -8.264 4.652 -0.134 222 HA LEU 33 HA LEU 33 -10.704 6.096 -0.572 223 HB2 LEU 33 1HB LEU 33 -8.693 4.795 -2.408 224 HB3 LEU 33 2HB LEU 33 -10.136 5.609 -2.981 225 HG LEU 33 HG LEU 33 -7.959 6.922 -1.331 226 HD11 LEU 33 1HD1 LEU 33 -8.153 6.364 -4.192 227 HD12 LEU 33 2HD1 LEU 33 -7.943 8.095 -3.833 228 HD13 LEU 33 3HD1 LEU 33 -6.768 6.909 -3.216 229 HD21 LEU 33 1HD2 LEU 33 -10.124 7.979 -1.007 230 HD22 LEU 33 2HD2 LEU 33 -9.055 9.028 -1.968 231 HD23 LEU 33 3HD2 LEU 33 -10.350 8.106 -2.768 232 H GLY 34 H GLY 34 -9.537 2.706 -0.692 233 HA2 GLY 34 1HA GLY 34 -11.427 1.186 0.006 234 HA3 GLY 34 2HA GLY 34 -12.287 1.859 -1.365 235 H HIS 35 H HIS 35 -12.428 -0.176 -2.461 236 HA HIS 35 HA HIS 35 -9.977 -0.834 -3.850 237 HB2 HIS 35 1HB HIS 35 -10.565 -3.327 -3.447 238 HB3 HIS 35 2HB HIS 35 -9.668 -2.440 -2.231 239 HD1 HIS 35 1HD HIS 35 -10.432 -3.511 -0.086 240 HD2 HIS 35 2HD HIS 35 -13.634 -2.486 -2.594 241 HE1 HIS 35 1HE HIS 35 -12.558 -3.959 1.251 242 H VAL 36 H VAL 36 -10.346 -1.527 -5.970 243 HA VAL 36 HA VAL 36 -13.174 -1.840 -6.696 244 HB VAL 36 HB VAL 36 -12.812 -0.556 -8.675 245 HG11 VAL 36 1HG1 VAL 36 -12.787 0.508 -6.106 246 HG12 VAL 36 2HG1 VAL 36 -11.481 1.384 -6.940 247 HG13 VAL 36 3HG1 VAL 36 -13.129 1.391 -7.613 248 HG21 VAL 36 1HG2 VAL 36 -10.395 0.706 -8.594 249 HG22 VAL 36 2HG2 VAL 36 -9.958 -0.908 -7.984 250 HG23 VAL 36 3HG2 VAL 36 -10.746 -0.740 -9.571 251 H GLU 37 H GLU 37 -13.271 -2.849 -9.048 252 HA GLU 37 HA GLU 37 -11.526 -5.151 -8.893 253 HB2 GLU 37 1HB GLU 37 -14.292 -4.680 -9.686 254 HB3 GLU 37 2HB GLU 37 -13.432 -5.504 -10.971 255 HG2 GLU 37 1HG GLU 37 -13.737 -7.428 -9.803 256 HG3 GLU 37 2HG GLU 37 -12.544 -6.833 -8.666 257 H VAL 38 H VAL 38 -10.134 -5.786 -10.587 258 HA VAL 38 HA VAL 38 -9.660 -3.681 -12.558 259 HB VAL 38 HB VAL 38 -7.484 -4.799 -12.840 260 HG11 VAL 38 1HG1 VAL 38 -8.168 -3.053 -10.950 261 HG12 VAL 38 2HG1 VAL 38 -7.726 -4.408 -9.884 262 HG13 VAL 38 3HG1 VAL 38 -6.534 -3.754 -11.034 263 HG21 VAL 38 1HG2 VAL 38 -8.254 -7.092 -12.224 264 HG22 VAL 38 2HG2 VAL 38 -6.768 -6.590 -11.382 265 HG23 VAL 38 3HG2 VAL 38 -8.327 -6.571 -10.524 266 H ASP 39 H ASP 39 -8.849 -4.576 -14.774 267 HA ASP 39 HA ASP 39 -10.537 -6.854 -15.452 268 HB2 ASP 39 1HB ASP 39 -11.077 -4.331 -16.268 269 HB3 ASP 39 2HB ASP 39 -9.900 -4.738 -17.501 270 H GLU 40 H GLU 40 -7.430 -5.707 -15.066 271 HA GLU 40 HA GLU 40 -6.451 -7.475 -17.157 272 HB2 GLU 40 1HB GLU 40 -4.691 -5.167 -16.534 273 HB3 GLU 40 2HB GLU 40 -5.047 -5.917 -18.077 274 HG2 GLU 40 1HG GLU 40 -5.980 -3.669 -18.103 275 HG3 GLU 40 2HG GLU 40 -7.312 -4.806 -18.062 276 H SER 41 H SER 41 -5.791 -5.687 -14.085 277 HA SER 41 HA SER 41 -4.962 -6.493 -12.205 278 HB2 SER 41 1HB SER 41 -4.544 -8.736 -11.837 279 HB3 SER 41 2HB SER 41 -5.487 -8.871 -13.308 280 HG SER 41 HG SER 41 -3.672 -9.298 -14.506 281 H ARG 42 H ARG 42 -3.540 -5.454 -14.939 282 HA ARG 42 HA ARG 42 -1.112 -4.908 -13.596 283 HB2 ARG 42 1HB ARG 42 0.415 -5.928 -15.235 284 HB3 ARG 42 2HB ARG 42 -0.617 -7.174 -14.562 285 HG2 ARG 42 1HG ARG 42 -1.047 -7.726 -16.736 286 HG3 ARG 42 2HG ARG 42 -2.139 -6.356 -16.716 287 HD2 ARG 42 1HD ARG 42 -0.672 -4.978 -17.905 288 HD3 ARG 42 2HD ARG 42 0.760 -5.772 -17.279 289 HE ARG 42 HE ARG 42 0.617 -7.388 -18.995 290 HH11 ARG 42 2HH2 ARG 42 -2.298 -5.418 -18.934 291 HH12 ARG 42 1HH2 ARG 42 -2.887 -6.015 -20.450 292 HH21 ARG 42 2HH1 ARG 42 -0.158 -8.175 -20.995 293 HH22 ARG 42 1HH1 ARG 42 -1.661 -7.594 -21.630 294 H GLY 43 H GLY 43 -0.503 -2.844 -14.222 295 HA2 GLY 43 1HA GLY 43 -0.107 -1.682 -16.534 296 HA3 GLY 43 2HA GLY 43 -1.859 -1.697 -16.552 297 H MET 44 H MET 44 0.664 0.293 -15.939 298 HA MET 44 HA MET 44 0.112 1.332 -13.427 299 HB2 MET 44 1HB MET 44 1.293 2.616 -15.952 300 HB3 MET 44 2HB MET 44 1.369 3.357 -14.366 301 HG2 MET 44 1HG MET 44 2.977 1.876 -13.590 302 HG3 MET 44 2HG MET 44 2.334 0.526 -14.505 303 HE1 MET 44 1HE MET 44 4.025 -0.396 -16.586 304 HE2 MET 44 2HE MET 44 2.393 0.255 -16.868 305 HE3 MET 44 3HE MET 44 3.739 0.738 -17.928 306 H HIS 45 H HIS 45 -1.480 1.710 -16.550 307 HA HIS 45 HA HIS 45 -2.749 4.169 -15.891 308 HB2 HIS 45 1HB HIS 45 -3.954 3.870 -17.952 309 HB3 HIS 45 2HB HIS 45 -2.263 3.485 -18.204 310 HD1 HIS 45 1HD HIS 45 -1.681 1.131 -19.011 311 HD2 HIS 45 2HD HIS 45 -5.711 1.560 -17.928 312 HE1 HIS 45 1HE HIS 45 -2.859 -0.996 -19.784 313 H ILE 46 H ILE 46 -3.109 0.953 -14.823 314 HA ILE 46 HA ILE 46 -5.958 0.972 -14.582 315 HB ILE 46 HB ILE 46 -3.961 -0.807 -13.188 316 HG12 ILE 46 1HG1 ILE 46 -3.584 -0.664 -15.675 317 HG13 ILE 46 2HG1 ILE 46 -3.945 -2.262 -15.054 318 HG21 ILE 46 1HG2 ILE 46 -5.944 -2.429 -13.482 319 HG22 ILE 46 2HG2 ILE 46 -6.043 -1.183 -12.215 320 HG23 ILE 46 3HG2 ILE 46 -6.915 -0.962 -13.751 321 HD11 ILE 46 1HD1 ILE 46 -5.393 -2.191 -16.878 322 HD12 ILE 46 2HD1 ILE 46 -6.467 -1.565 -15.604 323 HD13 ILE 46 3HD1 ILE 46 -5.666 -0.439 -16.725 324 H CYS 47 H CYS 47 -3.189 1.213 -12.237 325 HA CYS 47 HA CYS 47 -4.494 1.585 -9.952 326 HB2 CYS 47 1HB CYS 47 -2.150 3.309 -10.817 327 HB3 CYS 47 2HB CYS 47 -2.630 2.948 -9.171 328 HG CYS 47 HG CYS 47 -2.548 0.239 -9.659 329 H GLU 48 H GLU 48 -3.636 4.282 -12.253 330 HA GLU 48 HA GLU 48 -5.021 6.237 -10.937 331 HB2 GLU 48 1HB GLU 48 -4.296 5.868 -13.864 332 HB3 GLU 48 2HB GLU 48 -5.111 7.314 -13.304 333 HG2 GLU 48 1HG GLU 48 -3.224 8.141 -12.310 334 HG3 GLU 48 2HG GLU 48 -2.808 6.594 -11.599 335 H ASP 49 H ASP 49 -6.115 4.231 -13.769 336 HA ASP 49 HA ASP 49 -8.564 5.242 -14.106 337 HB2 ASP 49 1HB ASP 49 -7.207 2.740 -14.660 338 HB3 ASP 49 2HB ASP 49 -8.856 2.380 -14.188 339 H ALA 50 H ALA 50 -7.328 3.240 -11.441 340 HA ALA 50 HA ALA 50 -9.820 2.365 -10.446 341 HB1 ALA 50 1HB ALA 50 -8.553 1.457 -8.710 342 HB2 ALA 50 2HB ALA 50 -7.349 1.563 -10.017 343 HB3 ALA 50 3HB ALA 50 -7.377 2.792 -8.730 344 H VAL 51 H VAL 51 -7.524 4.889 -9.173 345 HA VAL 51 HA VAL 51 -9.058 5.965 -7.254 346 HB VAL 51 HB VAL 51 -7.353 7.449 -9.264 347 HG11 VAL 51 1HG1 VAL 51 -7.085 9.163 -7.582 348 HG12 VAL 51 2HG1 VAL 51 -8.823 8.914 -7.874 349 HG13 VAL 51 3HG1 VAL 51 -8.058 8.234 -6.417 350 HG21 VAL 51 1HG2 VAL 51 -6.728 5.629 -7.021 351 HG22 VAL 51 2HG2 VAL 51 -5.754 6.086 -8.439 352 HG23 VAL 51 3HG2 VAL 51 -5.823 7.162 -7.022 353 H LYS 52 H LYS 52 -9.015 7.294 -10.643 354 HA LYS 52 HA LYS 52 -11.043 9.030 -10.472 355 HB2 LYS 52 1HB LYS 52 -10.390 7.132 -12.741 356 HB3 LYS 52 2HB LYS 52 -11.496 8.482 -12.892 357 HG2 LYS 52 1HG LYS 52 -9.692 9.779 -13.360 358 HG3 LYS 52 2HG LYS 52 -9.247 9.636 -11.671 359 HD2 LYS 52 1HD LYS 52 -7.505 8.229 -12.126 360 HD3 LYS 52 2HD LYS 52 -8.459 7.257 -13.229 361 HE2 LYS 52 1HE LYS 52 -8.089 9.766 -14.538 362 HE3 LYS 52 2HE LYS 52 -6.533 9.361 -13.842 363 HZ1 LYS 52 1HZ LYS 52 -6.565 7.294 -14.952 364 HZ2 LYS 52 2HZ LYS 52 -8.114 7.472 -15.439 365 HZ3 LYS 52 3HZ LYS 52 -6.946 8.426 -16.066 366 H ARG 53 H ARG 53 -11.332 5.452 -10.744 367 HA ARG 53 HA ARG 53 -14.059 5.401 -11.091 368 HB2 ARG 53 1HB ARG 53 -11.975 3.526 -10.780 369 HB3 ARG 53 2HB ARG 53 -13.036 3.184 -9.428 370 HG2 ARG 53 1HG ARG 53 -14.987 3.187 -11.113 371 HG3 ARG 53 2HG ARG 53 -13.782 3.232 -12.385 372 HD2 ARG 53 1HD ARG 53 -12.835 1.161 -10.788 373 HD3 ARG 53 2HD ARG 53 -14.569 0.980 -10.611 374 HE ARG 53 HE ARG 53 -13.007 0.545 -13.051 375 HH11 ARG 53 2HH2 ARG 53 -16.207 1.252 -11.768 376 HH12 ARG 53 1HH2 ARG 53 -17.039 0.646 -13.161 377 HH21 ARG 53 2HH1 ARG 53 -14.105 -0.254 -14.889 378 HH22 ARG 53 1HH1 ARG 53 -15.835 -0.216 -14.948 379 H LEU 54 H LEU 54 -12.087 5.000 -8.053 380 HA LEU 54 HA LEU 54 -14.319 4.910 -6.353 381 HB2 LEU 54 1HB LEU 54 -11.465 5.686 -5.734 382 HB3 LEU 54 2HB LEU 54 -12.688 5.215 -4.570 383 HG LEU 54 HG LEU 54 -11.909 3.330 -6.783 384 HD11 LEU 54 1HD1 LEU 54 -9.921 4.325 -5.326 385 HD12 LEU 54 2HD1 LEU 54 -10.503 3.111 -4.162 386 HD13 LEU 54 3HD1 LEU 54 -9.991 2.608 -5.791 387 HD21 LEU 54 1HD2 LEU 54 -12.367 1.790 -4.635 388 HD22 LEU 54 2HD2 LEU 54 -13.380 3.189 -4.205 389 HD23 LEU 54 3HD2 LEU 54 -13.654 2.331 -5.740 390 H LYS 55 H LYS 55 -12.840 7.483 -8.132 391 HA LYS 55 HA LYS 55 -13.620 9.539 -6.280 392 HB2 LYS 55 1HB LYS 55 -12.181 9.376 -8.881 393 HB3 LYS 55 2HB LYS 55 -13.022 10.875 -8.543 394 HG2 LYS 55 1HG LYS 55 -11.822 10.465 -6.115 395 HG3 LYS 55 2HG LYS 55 -10.660 9.665 -7.155 396 HD2 LYS 55 1HD LYS 55 -10.761 11.815 -8.628 397 HD3 LYS 55 2HD LYS 55 -11.579 12.565 -7.272 398 HE2 LYS 55 1HE LYS 55 -9.672 12.166 -5.799 399 HE3 LYS 55 2HE LYS 55 -8.885 11.156 -6.996 400 HZ1 LYS 55 1HZ LYS 55 -7.884 13.150 -7.331 401 HZ2 LYS 55 2HZ LYS 55 -9.091 13.282 -8.423 402 HZ3 LYS 55 3HZ LYS 55 -9.207 14.042 -6.983 403 H ALA 56 H ALA 56 -15.131 7.586 -8.698 404 HA ALA 56 HA ALA 56 -17.321 9.542 -8.877 405 HB1 ALA 56 1HB ALA 56 -17.070 9.300 -11.099 406 HB2 ALA 56 2HB ALA 56 -15.883 7.992 -10.881 407 HB3 ALA 56 3HB ALA 56 -17.623 7.619 -10.909 408 H THR 57 H THR 57 -16.258 6.770 -7.324 409 HA THR 57 HA THR 57 -18.633 5.190 -7.518 410 HB THR 57 HB THR 57 -16.140 4.530 -6.965 411 HG1 THR 57 1HG THR 57 -17.867 3.006 -6.844 412 HG21 THR 57 1HG2 THR 57 -17.111 4.760 -4.113 413 HG22 THR 57 2HG2 THR 57 -15.445 4.642 -4.727 414 HG23 THR 57 3HG2 THR 57 -16.328 6.183 -4.841 415 H GLY 58 H GLY 58 -17.507 7.865 -5.480 416 HA2 GLY 58 1HA GLY 58 -18.753 9.185 -4.118 417 HA3 GLY 58 2HA GLY 58 -20.164 8.198 -4.438 418 H LYS 59 H LYS 59 -16.888 7.607 -2.956 419 HA LYS 59 HA LYS 59 -18.316 6.494 -0.643 420 HB2 LYS 59 1HB LYS 59 -17.286 4.743 -2.100 421 HB3 LYS 59 2HB LYS 59 -15.716 5.466 -1.816 422 HG2 LYS 59 1HG LYS 59 -16.611 5.236 0.771 423 HG3 LYS 59 2HG LYS 59 -17.439 3.876 0.040 424 HD2 LYS 59 1HD LYS 59 -14.433 4.408 -0.038 425 HD3 LYS 59 2HD LYS 59 -15.238 3.165 0.898 426 HE2 LYS 59 1HE LYS 59 -16.028 2.967 -1.908 427 HE3 LYS 59 2HE LYS 59 -14.281 2.962 -1.778 428 HZ1 LYS 59 1HZ LYS 59 -14.306 1.039 -0.633 429 HZ2 LYS 59 2HZ LYS 59 -15.740 1.316 0.098 430 HZ3 LYS 59 3HZ LYS 59 -15.699 0.810 -1.454 431 H LYS 60 H LYS 60 -15.304 8.055 -1.896 432 HA LYS 60 HA LYS 60 -14.183 9.777 -1.008 433 HB2 LYS 60 1HB LYS 60 -16.526 9.926 0.485 434 HB3 LYS 60 2HB LYS 60 -15.275 9.816 1.706 435 HG2 LYS 60 1HG LYS 60 -14.017 11.635 0.303 436 HG3 LYS 60 2HG LYS 60 -15.552 11.883 -0.506 437 HD2 LYS 60 1HD LYS 60 -15.283 11.960 2.530 438 HD3 LYS 60 2HD LYS 60 -15.066 13.387 1.537 439 HE2 LYS 60 1HE LYS 60 -17.546 11.815 0.971 440 HE3 LYS 60 2HE LYS 60 -17.490 12.574 2.550 441 HZ1 LYS 60 1HZ LYS 60 -16.844 14.068 0.116 442 HZ2 LYS 60 2HZ LYS 60 -18.378 13.932 0.658 443 HZ3 LYS 60 3HZ LYS 60 -17.247 14.657 1.585 444 H ALA 61 H ALA 61 -12.479 10.098 0.800 445 HA ALA 61 HA ALA 61 -11.403 7.445 1.367 446 HB1 ALA 61 1HB ALA 61 -9.354 8.392 1.072 447 HB2 ALA 61 2HB ALA 61 -10.276 9.664 0.234 448 HB3 ALA 61 3HB ALA 61 -9.805 9.881 1.937 449 H VAL 62 H VAL 62 -10.311 7.127 3.523 450 HA VAL 62 HA VAL 62 -11.823 8.557 5.600 451 HB VAL 62 HB VAL 62 -11.054 5.676 5.262 452 HG11 VAL 62 1HG1 VAL 62 -11.590 5.267 7.632 453 HG12 VAL 62 2HG1 VAL 62 -10.158 6.308 7.450 454 HG13 VAL 62 3HG1 VAL 62 -11.725 7.021 7.902 455 HG21 VAL 62 1HG2 VAL 62 -13.627 6.880 6.311 456 HG22 VAL 62 2HG2 VAL 62 -13.313 6.635 4.576 457 HG23 VAL 62 3HG2 VAL 62 -13.348 5.239 5.680 458 H LYS 63 H LYS 63 -10.648 8.713 7.728 459 HA LYS 63 HA LYS 63 -7.866 9.360 7.166 460 HB2 LYS 63 1HB LYS 63 -9.838 10.163 9.301 461 HB3 LYS 63 2HB LYS 63 -8.118 10.411 9.528 462 HG2 LYS 63 1HG LYS 63 -8.812 11.302 6.864 463 HG3 LYS 63 2HG LYS 63 -9.956 12.006 7.990 464 HD2 LYS 63 1HD LYS 63 -8.257 13.589 8.127 465 HD3 LYS 63 2HD LYS 63 -7.763 12.521 9.426 466 HE2 LYS 63 1HE LYS 63 -6.149 11.385 7.973 467 HE3 LYS 63 2HE LYS 63 -6.744 12.237 6.562 468 HZ1 LYS 63 1HZ LYS 63 -6.099 14.164 8.398 469 HZ2 LYS 63 2HZ LYS 63 -4.867 13.093 8.454 470 HZ3 LYS 63 3HZ LYS 63 -5.279 13.790 7.036 471 H ALA 64 H ALA 64 -6.642 7.509 7.246 472 HA ALA 64 HA ALA 64 -6.510 6.230 9.848 473 HB1 ALA 64 1HB ALA 64 -7.769 5.038 7.495 474 HB2 ALA 64 2HB ALA 64 -6.383 4.075 8.060 475 HB3 ALA 64 3HB ALA 64 -7.718 4.452 9.175 476 H VAL 65 H VAL 65 -4.546 4.663 9.855 477 HA VAL 65 HA VAL 65 -2.437 5.978 8.304 478 HB VAL 65 HB VAL 65 -2.442 4.448 10.908 479 HG11 VAL 65 1HG1 VAL 65 -0.260 4.019 10.728 480 HG12 VAL 65 2HG1 VAL 65 -0.349 4.530 9.026 481 HG13 VAL 65 3HG1 VAL 65 0.089 5.708 10.287 482 HG21 VAL 65 1HG2 VAL 65 -2.135 6.456 11.978 483 HG22 VAL 65 2HG2 VAL 65 -1.347 7.214 10.573 484 HG23 VAL 65 3HG2 VAL 65 -3.113 7.000 10.594 485 H LEU 66 H LEU 66 -1.282 4.857 6.789 486 HA LEU 66 HA LEU 66 -2.127 2.112 6.337 487 HB2 LEU 66 1HB LEU 66 -2.296 3.413 4.414 488 HB3 LEU 66 2HB LEU 66 -0.769 4.224 4.698 489 HG LEU 66 HG LEU 66 0.480 2.251 4.079 490 HD11 LEU 66 1HD1 LEU 66 -0.343 0.141 3.779 491 HD12 LEU 66 2HD1 LEU 66 -1.472 0.733 5.021 492 HD13 LEU 66 3HD1 LEU 66 -1.963 0.712 3.311 493 HD21 LEU 66 1HD2 LEU 66 -1.722 2.802 2.070 494 HD22 LEU 66 2HD2 LEU 66 -0.231 3.750 2.282 495 HD23 LEU 66 3HD2 LEU 66 -0.141 2.063 1.722 496 H TRP 67 H TRP 67 -1.008 0.488 7.259 497 HA TRP 67 HA TRP 67 1.770 1.017 7.995 498 HB2 TRP 67 1HB TRP 67 -0.141 -1.168 8.839 499 HB3 TRP 67 2HB TRP 67 1.525 -1.029 9.367 500 HD1 TRP 67 HD TRP 67 -1.699 1.186 9.525 501 HE1 TRP 67 1HE TRP 67 -1.767 2.552 11.782 502 HE3 TRP 67 3HE TRP 67 2.816 -0.408 11.237 503 HZ2 TRP 67 2HZ TRP 67 0.034 2.806 13.981 504 HZ3 TRP 67 3HZ TRP 67 3.587 0.446 13.448 505 HH2 TRP 67 HH TRP 67 2.276 1.999 14.807 506 H VAL 68 H VAL 68 3.473 -0.273 7.173 507 HA VAL 68 HA VAL 68 2.676 -2.192 5.099 508 HB VAL 68 HB VAL 68 5.116 -0.455 4.875 509 HG11 VAL 68 1HG1 VAL 68 3.432 -1.537 2.623 510 HG12 VAL 68 2HG1 VAL 68 5.159 -1.107 2.639 511 HG13 VAL 68 3HG1 VAL 68 4.601 -2.583 3.464 512 HG21 VAL 68 1HG2 VAL 68 3.259 0.682 3.156 513 HG22 VAL 68 2HG2 VAL 68 2.329 0.411 4.649 514 HG23 VAL 68 3HG2 VAL 68 3.828 1.371 4.696 515 H SER 69 H SER 69 3.600 -4.184 5.304 516 HA SER 69 HA SER 69 6.059 -4.354 6.805 517 HB2 SER 69 1HB SER 69 3.640 -6.077 7.494 518 HB3 SER 69 2HB SER 69 5.211 -6.138 8.268 519 HG SER 69 HG SER 69 3.186 -4.113 8.443 520 H ALA 70 H ALA 70 7.200 -6.435 6.422 521 HA ALA 70 HA ALA 70 7.058 -7.256 3.778 522 HB1 ALA 70 1HB ALA 70 8.728 -8.855 4.409 523 HB2 ALA 70 2HB ALA 70 8.990 -7.422 5.431 524 HB3 ALA 70 3HB ALA 70 8.181 -8.859 6.102 525 H ASP 71 H ASP 71 5.127 -8.121 6.559 526 HA ASP 71 HA ASP 71 4.357 -10.639 5.454 527 HB2 ASP 71 1HB ASP 71 4.030 -9.170 7.969 528 HB3 ASP 71 2HB ASP 71 2.500 -9.850 7.453 529 H GLY 72 H GLY 72 3.725 -7.437 4.704 530 HA2 GLY 72 1HA GLY 72 2.042 -7.315 2.845 531 HA3 GLY 72 2HA GLY 72 0.893 -7.935 4.014 532 H LEU 73 H LEU 73 -0.389 -5.970 3.745 533 HA LEU 73 HA LEU 73 0.856 -3.636 5.023 534 HB2 LEU 73 1HB LEU 73 -1.611 -3.386 3.381 535 HB3 LEU 73 2HB LEU 73 -0.315 -2.239 3.652 536 HG LEU 73 HG LEU 73 0.098 -4.733 2.001 537 HD11 LEU 73 1HD1 LEU 73 -0.549 -2.079 0.749 538 HD12 LEU 73 2HD1 LEU 73 -0.619 -3.714 0.050 539 HD13 LEU 73 3HD1 LEU 73 -1.849 -3.197 1.228 540 HD21 LEU 73 1HD2 LEU 73 1.605 -2.463 1.141 541 HD22 LEU 73 2HD2 LEU 73 1.797 -2.642 2.902 542 HD23 LEU 73 3HD2 LEU 73 2.182 -4.003 1.821 543 H ARG 74 H ARG 74 -1.044 -2.183 6.037 544 HA ARG 74 HA ARG 74 -3.116 -3.769 7.161 545 HB2 ARG 74 1HB ARG 74 -0.652 -3.070 8.720 546 HB3 ARG 74 2HB ARG 74 -2.170 -2.782 9.548 547 HG2 ARG 74 1HG ARG 74 -2.444 -5.334 8.301 548 HG3 ARG 74 2HG ARG 74 -0.835 -5.317 8.996 549 HD2 ARG 74 1HD ARG 74 -1.674 -4.862 11.210 550 HD3 ARG 74 2HD ARG 74 -3.254 -4.404 10.606 551 HE ARG 74 HE ARG 74 -3.857 -6.662 10.555 552 HH11 ARG 74 2HH2 ARG 74 -0.348 -6.420 10.657 553 HH12 ARG 74 1HH2 ARG 74 -0.108 -8.126 10.842 554 HH21 ARG 74 2HH1 ARG 74 -3.541 -8.912 10.799 555 HH22 ARG 74 1HH1 ARG 74 -1.937 -9.552 10.923 556 H VAL 75 H VAL 75 -4.843 -2.375 6.999 557 HA VAL 75 HA VAL 75 -4.303 0.481 7.099 558 HB VAL 75 HB VAL 75 -6.779 -1.093 6.362 559 HG11 VAL 75 1HG1 VAL 75 -6.168 1.864 6.027 560 HG12 VAL 75 2HG1 VAL 75 -7.618 1.019 5.433 561 HG13 VAL 75 3HG1 VAL 75 -7.322 1.157 7.183 562 HG21 VAL 75 1HG2 VAL 75 -5.896 0.151 4.077 563 HG22 VAL 75 2HG2 VAL 75 -4.367 -0.308 4.864 564 HG23 VAL 75 3HG2 VAL 75 -5.591 -1.550 4.506 565 H VAL 76 H VAL 76 -4.030 1.062 9.245 566 HA VAL 76 HA VAL 76 -5.896 0.024 11.198 567 HB VAL 76 HB VAL 76 -3.346 1.576 11.208 568 HG11 VAL 76 1HG1 VAL 76 -5.454 1.672 13.366 569 HG12 VAL 76 2HG1 VAL 76 -3.724 1.827 13.754 570 HG13 VAL 76 3HG1 VAL 76 -4.501 3.001 12.665 571 HG21 VAL 76 1HG2 VAL 76 -2.523 -0.186 12.466 572 HG22 VAL 76 2HG2 VAL 76 -4.122 -0.609 13.121 573 HG23 VAL 76 3HG2 VAL 76 -3.716 -1.013 11.436 574 H ASP 77 H ASP 77 -7.197 1.455 12.575 575 HA ASP 77 HA ASP 77 -8.135 3.695 10.995 576 HB2 ASP 77 1HB ASP 77 -9.774 1.950 11.731 577 HB3 ASP 77 2HB ASP 77 -9.367 2.275 13.404 578 H GLU 78 H GLU 78 -6.976 5.555 11.603 579 HA GLU 78 HA GLU 78 -5.557 6.013 13.778 580 HB2 GLU 78 1HB GLU 78 -7.275 7.887 12.132 581 HB3 GLU 78 2HB GLU 78 -6.346 8.512 13.480 582 HG2 GLU 78 1HG GLU 78 -4.498 6.880 12.139 583 HG3 GLU 78 2HG GLU 78 -5.418 7.596 10.831 584 H LYS 79 H LYS 79 -9.096 5.944 13.600 585 HA LYS 79 HA LYS 79 -9.898 7.366 15.737 586 HB2 LYS 79 1HB LYS 79 -11.187 5.831 14.072 587 HB3 LYS 79 2HB LYS 79 -10.972 4.588 15.288 588 HG2 LYS 79 1HG LYS 79 -11.927 7.231 16.313 589 HG3 LYS 79 2HG LYS 79 -13.054 6.376 15.279 590 HD2 LYS 79 1HD LYS 79 -13.427 4.717 16.827 591 HD3 LYS 79 2HD LYS 79 -11.744 4.644 17.309 592 HE2 LYS 79 1HE LYS 79 -12.086 6.038 19.082 593 HE3 LYS 79 2HE LYS 79 -12.959 7.200 18.102 594 HZ1 LYS 79 1HZ LYS 79 -14.480 6.360 19.623 595 HZ2 LYS 79 2HZ LYS 79 -14.856 5.589 18.233 596 HZ3 LYS 79 3HZ LYS 79 -14.029 4.806 19.404 597 H THR 80 H THR 80 -9.407 3.797 16.126 598 HA THR 80 HA THR 80 -8.174 4.408 18.733 599 HB THR 80 HB THR 80 -10.586 3.437 18.684 600 HG1 THR 80 1HG THR 80 -9.053 3.284 20.495 601 HG21 THR 80 1HG2 THR 80 -10.463 1.699 17.006 602 HG22 THR 80 2HG2 THR 80 -8.931 1.078 17.667 603 HG23 THR 80 3HG2 THR 80 -10.448 0.850 18.570 604 H LYS 81 H LYS 81 -7.145 3.869 15.834 605 HA LYS 81 HA LYS 81 -5.337 2.921 14.990 606 HB2 LYS 81 1HB LYS 81 -4.862 2.510 17.909 607 HB3 LYS 81 2HB LYS 81 -3.867 1.596 16.793 608 HG2 LYS 81 1HG LYS 81 -4.260 4.621 16.634 609 HG3 LYS 81 2HG LYS 81 -2.905 3.854 17.438 610 HD2 LYS 81 1HD LYS 81 -2.509 2.617 15.163 611 HD3 LYS 81 2HD LYS 81 -3.593 3.810 14.476 612 HE2 LYS 81 1HE LYS 81 -1.105 4.529 16.097 613 HE3 LYS 81 2HE LYS 81 -1.122 4.419 14.348 614 HZ1 LYS 81 1HZ LYS 81 -3.215 6.031 15.446 615 HZ2 LYS 81 2HZ LYS 81 -1.714 6.614 15.719 616 HZ3 LYS 81 3HZ LYS 81 -2.216 6.334 14.190 617 H ASP 82 H ASP 82 -8.050 1.435 15.894 618 HA ASP 82 HA ASP 82 -7.548 -1.215 16.114 619 HB2 ASP 82 1HB ASP 82 -9.779 0.439 15.642 620 HB3 ASP 82 2HB ASP 82 -9.776 -0.645 14.265 621 H LEU 83 H LEU 83 -8.621 -2.672 13.992 622 HA LEU 83 HA LEU 83 -6.774 -2.043 11.798 623 HB2 LEU 83 1HB LEU 83 -6.377 -4.115 13.191 624 HB3 LEU 83 2HB LEU 83 -7.875 -4.751 12.540 625 HG LEU 83 HG LEU 83 -5.562 -5.372 11.472 626 HD11 LEU 83 1HD1 LEU 83 -8.120 -4.743 10.002 627 HD12 LEU 83 2HD1 LEU 83 -6.727 -5.507 9.199 628 HD13 LEU 83 3HD1 LEU 83 -7.513 -6.315 10.576 629 HD21 LEU 83 1HD2 LEU 83 -6.171 -2.772 10.037 630 HD22 LEU 83 2HD2 LEU 83 -4.800 -3.069 11.132 631 HD23 LEU 83 3HD2 LEU 83 -4.917 -3.955 9.593 632 H ILE 84 H ILE 84 -7.693 -1.372 9.940 633 HA ILE 84 HA ILE 84 -10.563 -1.688 9.675 634 HB ILE 84 HB ILE 84 -8.573 -0.172 7.982 635 HG12 ILE 84 1HG1 ILE 84 -10.432 0.914 10.113 636 HG13 ILE 84 2HG1 ILE 84 -8.738 0.561 10.390 637 HG21 ILE 84 1HG2 ILE 84 -10.968 -0.949 7.125 638 HG22 ILE 84 2HG2 ILE 84 -11.481 0.481 8.054 639 HG23 ILE 84 3HG2 ILE 84 -10.293 0.653 6.740 640 HD11 ILE 84 1HD1 ILE 84 -9.519 2.300 8.039 641 HD12 ILE 84 2HD1 ILE 84 -9.455 2.996 9.676 642 HD13 ILE 84 3HD1 ILE 84 -7.995 2.275 8.958 643 H VAL 85 H VAL 85 -7.512 -2.511 7.909 644 HA VAL 85 HA VAL 85 -8.926 -4.791 6.782 645 HB VAL 85 HB VAL 85 -7.536 -2.641 5.179 646 HG11 VAL 85 1HG1 VAL 85 -8.448 -5.398 4.291 647 HG12 VAL 85 2HG1 VAL 85 -7.931 -4.089 3.202 648 HG13 VAL 85 3HG1 VAL 85 -6.774 -4.796 4.355 649 HG21 VAL 85 1HG2 VAL 85 -9.711 -1.919 5.314 650 HG22 VAL 85 2HG2 VAL 85 -9.838 -2.994 3.901 651 HG23 VAL 85 3HG2 VAL 85 -10.365 -3.564 5.502 652 H ASP 86 H ASP 86 -7.417 -6.456 5.972 653 HA ASP 86 HA ASP 86 -4.750 -6.060 7.078 654 HB2 ASP 86 1HB ASP 86 -5.666 -7.582 8.616 655 HB3 ASP 86 2HB ASP 86 -6.713 -8.322 7.421 656 H GLN 87 H GLN 87 -3.826 -5.658 4.972 657 HA GLN 87 HA GLN 87 -4.426 -7.547 2.888 658 HB2 GLN 87 1HB GLN 87 -4.106 -4.933 2.688 659 HB3 GLN 87 2HB GLN 87 -2.396 -5.313 2.659 660 HG2 GLN 87 1HG GLN 87 -4.442 -6.588 0.784 661 HG3 GLN 87 2HG GLN 87 -3.492 -5.176 0.366 662 HE21 GLN 87 1HE2 GLN 87 -3.673 -8.166 -0.418 663 HE22 GLN 87 2HE2 GLN 87 -2.023 -8.683 -0.519 664 H THR 88 H THR 88 -2.836 -8.902 1.853 665 HA THR 88 HA THR 88 -0.421 -9.304 3.495 666 HB THR 88 HB THR 88 -1.786 -11.224 3.852 667 HG1 THR 88 1HG THR 88 0.360 -11.705 2.922 668 HG21 THR 88 1HG2 THR 88 -3.621 -11.297 2.422 669 HG22 THR 88 2HG2 THR 88 -2.690 -10.671 1.040 670 HG23 THR 88 3HG2 THR 88 -2.555 -12.385 1.500 671 H ILE 89 H ILE 89 1.537 -9.267 2.525 672 HA ILE 89 HA ILE 89 1.814 -8.089 0.055 673 HB ILE 89 HB ILE 89 3.448 -8.541 2.066 674 HG12 ILE 89 1HG1 ILE 89 5.311 -7.859 0.637 675 HG13 ILE 89 2HG1 ILE 89 4.425 -8.336 -0.797 676 HG21 ILE 89 1HG2 ILE 89 4.813 -10.351 1.991 677 HG22 ILE 89 2HG2 ILE 89 3.381 -11.080 1.226 678 HG23 ILE 89 3HG2 ILE 89 4.725 -10.491 0.219 679 HD11 ILE 89 1HD1 ILE 89 3.056 -6.428 1.081 680 HD12 ILE 89 2HD1 ILE 89 4.403 -5.802 0.100 681 HD13 ILE 89 3HD1 ILE 89 2.982 -6.521 -0.695 682 H GLU 90 H GLU 90 0.947 -11.358 0.875 683 HA GLU 90 HA GLU 90 1.995 -12.665 -1.324 684 HB2 GLU 90 1HB GLU 90 -0.546 -13.257 0.257 685 HB3 GLU 90 2HB GLU 90 0.230 -14.382 -0.839 686 HG2 GLU 90 1HG GLU 90 1.400 -13.226 1.731 687 HG3 GLU 90 2HG GLU 90 0.957 -14.896 1.434 688 H LYS 91 H LYS 91 -1.495 -11.747 -0.823 689 HA LYS 91 HA LYS 91 -2.398 -12.179 -3.322 690 HB2 LYS 91 1HB LYS 91 -3.159 -9.893 -1.480 691 HB3 LYS 91 2HB LYS 91 -4.109 -10.454 -2.841 692 HG2 LYS 91 1HG LYS 91 -3.442 -11.960 -0.283 693 HG3 LYS 91 2HG LYS 91 -5.027 -11.540 -0.901 694 HD2 LYS 91 1HD LYS 91 -4.174 -13.017 -3.004 695 HD3 LYS 91 2HD LYS 91 -3.170 -13.745 -1.766 696 HE2 LYS 91 1HE LYS 91 -5.074 -14.434 -0.465 697 HE3 LYS 91 2HE LYS 91 -6.161 -13.376 -1.343 698 HZ1 LYS 91 1HZ LYS 91 -5.240 -14.858 -3.312 699 HZ2 LYS 91 2HZ LYS 91 -5.126 -15.947 -2.102 700 HZ3 LYS 91 3HZ LYS 91 -6.566 -15.260 -2.447 701 H VAL 92 H VAL 92 -1.083 -8.991 -2.163 702 HA VAL 92 HA VAL 92 -1.181 -7.556 -4.407 703 HB VAL 92 HB VAL 92 1.164 -7.789 -2.510 704 HG11 VAL 92 1HG1 VAL 92 1.192 -6.430 -4.869 705 HG12 VAL 92 2HG1 VAL 92 0.538 -5.186 -3.776 706 HG13 VAL 92 3HG1 VAL 92 2.108 -5.947 -3.421 707 HG21 VAL 92 1HG2 VAL 92 0.014 -5.749 -1.471 708 HG22 VAL 92 2HG2 VAL 92 -1.420 -6.219 -2.415 709 HG23 VAL 92 3HG2 VAL 92 -0.749 -7.335 -1.201 710 H SER 93 H SER 93 -0.163 -7.394 -6.404 711 HA SER 93 HA SER 93 1.871 -9.415 -6.909 712 HB2 SER 93 1HB SER 93 -0.780 -9.222 -8.087 713 HB3 SER 93 2HB SER 93 0.428 -8.994 -9.335 714 HG SER 93 HG SER 93 0.977 -11.099 -7.541 715 H PHE 94 H PHE 94 0.258 -6.337 -7.892 716 HA PHE 94 HA PHE 94 2.876 -5.368 -8.738 717 HB2 PHE 94 1HB PHE 94 1.563 -6.170 -10.745 718 HB3 PHE 94 2HB PHE 94 0.196 -5.195 -10.243 719 HD1 PHE 94 1HD PHE 94 3.855 -4.559 -10.710 720 HD2 PHE 94 2HD PHE 94 -0.121 -3.363 -11.586 721 HE1 PHE 94 1HE PHE 94 4.732 -2.633 -12.060 722 HE2 PHE 94 2HE PHE 94 0.756 -1.437 -12.936 723 HZ PHE 94 HZ PHE 94 3.172 -1.095 -13.157 724 H CYS 95 H CYS 95 3.101 -3.039 -8.630 725 HA CYS 95 HA CYS 95 0.853 -1.569 -7.583 726 HB2 CYS 95 1HB CYS 95 2.116 -0.733 -5.612 727 HB3 CYS 95 2HB CYS 95 1.717 -2.436 -5.507 728 HG CYS 95 HG CYS 95 4.077 -3.185 -6.659 729 H ALA 96 H ALA 96 0.896 0.392 -8.636 730 HA ALA 96 HA ALA 96 3.528 1.390 -9.476 731 HB1 ALA 96 1HB ALA 96 0.989 1.688 -11.107 732 HB2 ALA 96 2HB ALA 96 2.674 1.948 -11.619 733 HB3 ALA 96 3HB ALA 96 2.082 0.298 -11.310 734 HA PRO 97 HA PRO 97 2.191 5.068 -7.638 735 HB2 PRO 97 1HB PRO 97 3.709 6.931 -8.940 736 HB3 PRO 97 2HB PRO 97 4.324 5.936 -7.635 737 HG2 PRO 97 1HG PRO 97 4.829 5.704 -10.538 738 HG3 PRO 97 2HG PRO 97 5.739 5.017 -9.208 739 HD2 PRO 97 1HD PRO 97 3.906 3.634 -10.926 740 HD3 PRO 97 2HD PRO 97 4.727 2.977 -9.525 741 H ASP 98 H ASP 98 1.930 7.666 -8.585 742 HA ASP 98 HA ASP 98 -0.123 7.232 -10.607 743 HB2 ASP 98 1HB ASP 98 -1.370 9.154 -9.456 744 HB3 ASP 98 2HB ASP 98 -1.352 7.629 -8.593 745 H ARG 99 H ARG 99 -0.707 9.508 -11.660 746 HA ARG 99 HA ARG 99 1.653 11.198 -11.641 747 HB2 ARG 99 1HB ARG 99 1.943 9.936 -13.664 748 HB3 ARG 99 2HB ARG 99 0.233 9.985 -14.044 749 HG2 ARG 99 1HG ARG 99 0.402 12.012 -15.083 750 HG3 ARG 99 2HG ARG 99 1.383 12.690 -13.798 751 HD2 ARG 99 1HD ARG 99 3.136 12.587 -15.249 752 HD3 ARG 99 2HD ARG 99 3.126 10.853 -14.996 753 HE ARG 99 HE ARG 99 1.219 11.808 -17.031 754 HH11 ARG 99 2HH2 ARG 99 4.450 10.567 -16.397 755 HH12 ARG 99 1HH2 ARG 99 4.699 10.025 -18.023 756 HH21 ARG 99 2HH1 ARG 99 1.547 11.092 -19.176 757 HH22 ARG 99 1HH1 ARG 99 3.037 10.325 -19.614 758 H ASN 100 H ASN 100 -1.813 10.747 -12.573 759 HA ASN 100 HA ASN 100 -2.371 13.355 -13.184 760 HB2 ASN 100 1HB ASN 100 -4.245 11.391 -11.766 761 HB3 ASN 100 2HB ASN 100 -4.733 12.746 -12.765 762 HD21 ASN 100 1HD2 ASN 100 -4.557 9.551 -12.738 763 HD22 ASN 100 2HD2 ASN 100 -4.270 9.173 -14.404 764 H PHE 101 H PHE 101 -2.613 11.529 -10.049 765 HA PHE 101 HA PHE 101 -3.258 13.983 -8.648 766 HB2 PHE 101 1HB PHE 101 -2.691 11.207 -7.493 767 HB3 PHE 101 2HB PHE 101 -3.759 12.433 -6.837 768 HD1 PHE 101 1HD PHE 101 -3.399 9.857 -9.436 769 HD2 PHE 101 2HD PHE 101 -6.025 12.639 -7.600 770 HE1 PHE 101 1HE PHE 101 -5.352 8.763 -10.571 771 HE2 PHE 101 2HE PHE 101 -7.978 11.545 -8.735 772 HZ PHE 101 HZ PHE 101 -7.618 9.620 -10.207 773 H ASP 102 H ASP 102 -2.082 14.079 -6.330 774 HA ASP 102 HA ASP 102 0.746 14.040 -6.996 775 HB2 ASP 102 1HB ASP 102 -1.007 15.725 -5.219 776 HB3 ASP 102 2HB ASP 102 0.656 15.501 -4.715 777 H ARG 103 H ARG 103 -1.792 12.744 -4.922 778 HA ARG 103 HA ARG 103 0.200 11.120 -3.617 779 HB2 ARG 103 1HB ARG 103 -1.114 11.439 -1.404 780 HB3 ARG 103 2HB ARG 103 -0.083 12.765 -1.902 781 HG2 ARG 103 1HG ARG 103 -2.270 13.642 -3.133 782 HG3 ARG 103 2HG ARG 103 -3.104 12.569 -2.026 783 HD2 ARG 103 1HD ARG 103 -2.827 14.019 -0.295 784 HD3 ARG 103 2HD ARG 103 -1.099 14.109 -0.568 785 HE ARG 103 HE ARG 103 -3.121 15.996 -1.534 786 HH11 ARG 103 2HH2 ARG 103 0.132 14.752 -2.040 787 HH12 ARG 103 1HH2 ARG 103 0.682 16.168 -2.870 788 HH21 ARG 103 2HH1 ARG 103 -2.395 17.866 -2.630 789 HH22 ARG 103 1HH1 ARG 103 -0.764 17.951 -3.208 790 H ALA 104 H ALA 104 -0.875 9.700 -5.348 791 HA ALA 104 HA ALA 104 -3.238 8.442 -4.164 792 HB1 ALA 104 1HB ALA 104 -3.688 10.076 -6.164 793 HB2 ALA 104 2HB ALA 104 -2.984 8.776 -7.155 794 HB3 ALA 104 3HB ALA 104 -4.436 8.461 -6.175 795 H PHE 105 H PHE 105 -2.296 6.565 -3.453 796 HA PHE 105 HA PHE 105 -0.583 5.175 -5.389 797 HB2 PHE 105 1HB PHE 105 0.629 5.630 -3.344 798 HB3 PHE 105 2HB PHE 105 -0.790 5.373 -2.349 799 HD1 PHE 105 1HD PHE 105 1.226 3.390 -4.801 800 HD2 PHE 105 2HD PHE 105 -0.746 3.485 -1.044 801 HE1 PHE 105 1HE PHE 105 1.967 1.034 -4.352 802 HE2 PHE 105 2HE PHE 105 -0.004 1.129 -0.595 803 HZ PHE 105 HZ PHE 105 1.343 -0.068 -2.255 804 H SER 106 H SER 106 -1.197 3.177 -6.137 805 HA SER 106 HA SER 106 -3.253 1.794 -4.645 806 HB2 SER 106 1HB SER 106 -4.774 2.633 -6.152 807 HB3 SER 106 2HB SER 106 -3.554 2.976 -7.361 808 HG SER 106 HG SER 106 -3.679 0.924 -8.162 809 H TYR 107 H TYR 107 -3.456 -0.545 -5.392 810 HA TYR 107 HA TYR 107 -1.277 -1.507 -7.036 811 HB2 TYR 107 1HB TYR 107 -0.457 -2.947 -5.154 812 HB3 TYR 107 2HB TYR 107 -0.378 -1.264 -4.672 813 HD1 TYR 107 1HD TYR 107 -2.726 -4.188 -4.516 814 HD2 TYR 107 2HD TYR 107 -1.261 -0.650 -2.608 815 HE1 TYR 107 1HE TYR 107 -4.133 -4.705 -2.462 816 HE2 TYR 107 2HE TYR 107 -2.673 -1.179 -0.560 817 HH TYR 107 HH TYR 107 -5.123 -3.530 -0.620 818 H ILE 108 H ILE 108 -1.570 -3.732 -7.702 819 HA ILE 108 HA ILE 108 -4.368 -4.511 -7.519 820 HB ILE 108 HB ILE 108 -2.091 -5.211 -9.351 821 HG12 ILE 108 1HG1 ILE 108 -4.855 -4.160 -9.994 822 HG13 ILE 108 2HG1 ILE 108 -3.499 -3.108 -9.639 823 HG21 ILE 108 1HG2 ILE 108 -4.655 -6.709 -8.895 824 HG22 ILE 108 2HG2 ILE 108 -3.926 -6.640 -10.518 825 HG23 ILE 108 3HG2 ILE 108 -3.006 -7.326 -9.157 826 HD11 ILE 108 1HD1 ILE 108 -2.404 -4.878 -11.495 827 HD12 ILE 108 2HD1 ILE 108 -4.073 -4.665 -12.078 828 HD13 ILE 108 3HD1 ILE 108 -3.019 -3.248 -11.859 829 H CYS 109 H CYS 109 -5.015 -6.667 -6.917 830 HA CYS 109 HA CYS 109 -3.026 -8.399 -5.807 831 HB2 CYS 109 1HB CYS 109 -3.679 -8.374 -3.539 832 HB3 CYS 109 2HB CYS 109 -3.473 -6.690 -3.977 833 HG CYS 109 HG CYS 109 -5.849 -5.988 -4.139 834 H ARG 110 H ARG 110 -4.265 -10.423 -4.850 835 HA ARG 110 HA ARG 110 -6.409 -10.928 -6.711 836 HB2 ARG 110 1HB ARG 110 -4.509 -12.547 -6.562 837 HB3 ARG 110 2HB ARG 110 -4.857 -12.815 -4.866 838 HG2 ARG 110 1HG ARG 110 -7.006 -13.827 -5.370 839 HG3 ARG 110 2HG ARG 110 -6.933 -13.309 -7.042 840 HD2 ARG 110 1HD ARG 110 -5.039 -14.819 -7.488 841 HD3 ARG 110 2HD ARG 110 -4.923 -15.242 -5.792 842 HE ARG 110 HE ARG 110 -7.526 -15.913 -6.368 843 HH11 ARG 110 2HH2 ARG 110 -4.471 -16.668 -7.943 844 HH12 ARG 110 1HH2 ARG 110 -5.018 -18.192 -8.559 845 HH21 ARG 110 2HH1 ARG 110 -8.248 -17.924 -7.179 846 HH22 ARG 110 1HH1 ARG 110 -7.181 -18.911 -8.121 847 H ASP 111 H ASP 111 -8.481 -10.563 -5.981 848 HA ASP 111 HA ASP 111 -9.275 -9.878 -3.576 849 HB2 ASP 111 1HB ASP 111 -10.584 -10.434 -5.845 850 HB3 ASP 111 2HB ASP 111 -10.979 -11.924 -5.012 851 H GLY 112 H GLY 112 -10.212 -11.001 -1.671 852 HA2 GLY 112 1HA GLY 112 -9.201 -13.765 -1.376 853 HA3 GLY 112 2HA GLY 112 -9.307 -12.583 -0.087 854 H THR 113 H THR 113 -11.707 -13.379 -2.684 855 HA THR 113 HA THR 113 -13.444 -14.598 -0.691 856 HB THR 113 HB THR 113 -15.295 -12.981 -1.677 857 HG1 THR 113 1HG THR 113 -12.690 -11.703 -2.125 858 HG21 THR 113 1HG2 THR 113 -14.694 -11.172 -0.048 859 HG22 THR 113 2HG2 THR 113 -14.528 -12.783 0.690 860 HG23 THR 113 3HG2 THR 113 -13.082 -11.899 0.148 861 H THR 114 H THR 114 -12.918 -13.586 -4.113 862 HA THR 114 HA THR 114 -14.318 -16.062 -4.885 863 HB THR 114 HB THR 114 -13.934 -13.571 -6.605 864 HG1 THR 114 1HG THR 114 -15.569 -12.700 -5.379 865 HG21 THR 114 1HG2 THR 114 -16.373 -15.346 -6.582 866 HG22 THR 114 2HG2 THR 114 -15.627 -14.475 -7.943 867 HG23 THR 114 3HG2 THR 114 -14.903 -15.989 -7.352 868 H ARG 115 H ARG 115 -13.096 -15.061 -7.676 869 HA ARG 115 HA ARG 115 -10.455 -16.140 -7.148 870 HB2 ARG 115 1HB ARG 115 -12.222 -16.979 -9.502 871 HB3 ARG 115 2HB ARG 115 -10.615 -17.586 -9.154 872 HG2 ARG 115 1HG ARG 115 -11.351 -18.980 -7.471 873 HG3 ARG 115 2HG ARG 115 -12.539 -17.830 -6.890 874 HD2 ARG 115 1HD ARG 115 -14.178 -18.954 -7.986 875 HD3 ARG 115 2HD ARG 115 -13.383 -18.644 -9.516 876 HE ARG 115 HE ARG 115 -11.938 -20.757 -8.372 877 HH11 ARG 115 2HH2 ARG 115 -15.280 -20.196 -9.319 878 HH12 ARG 115 1HH2 ARG 115 -15.596 -21.864 -9.664 879 HH21 ARG 115 2HH1 ARG 115 -12.354 -22.957 -8.827 880 HH22 ARG 115 1HH1 ARG 115 -13.920 -23.445 -9.382 881 H ARG 116 H ARG 116 -11.561 -13.385 -7.635 882 HA ARG 116 HA ARG 116 -10.357 -12.890 -10.236 883 HB2 ARG 116 1HB ARG 116 -11.680 -10.827 -10.323 884 HB3 ARG 116 2HB ARG 116 -12.752 -12.158 -9.937 885 HG2 ARG 116 1HG ARG 116 -12.775 -11.565 -7.573 886 HG3 ARG 116 2HG ARG 116 -11.483 -10.401 -7.791 887 HD2 ARG 116 1HD ARG 116 -14.299 -9.941 -8.011 888 HD3 ARG 116 2HD ARG 116 -13.006 -8.784 -8.255 889 HE ARG 116 HE ARG 116 -13.156 -9.102 -10.600 890 HH11 ARG 116 2HH2 ARG 116 -15.197 -11.407 -8.895 891 HH12 ARG 116 1HH2 ARG 116 -16.044 -11.906 -10.322 892 HH21 ARG 116 2HH1 ARG 116 -14.274 -9.759 -12.482 893 HH22 ARG 116 1HH1 ARG 116 -15.516 -10.962 -12.375 894 H TRP 117 H TRP 117 -9.856 -10.107 -9.959 895 HA TRP 117 HA TRP 117 -7.868 -10.105 -7.791 896 HB2 TRP 117 1HB TRP 117 -7.634 -8.491 -10.315 897 HB3 TRP 117 2HB TRP 117 -6.394 -8.890 -9.143 898 HD1 TRP 117 HD TRP 117 -8.547 -10.759 -11.814 899 HE1 TRP 117 1HE TRP 117 -7.207 -12.798 -12.820 900 HE3 TRP 117 3HE TRP 117 -4.493 -10.269 -8.783 901 HZ2 TRP 117 2HZ TRP 117 -4.660 -13.951 -12.248 902 HZ3 TRP 117 3HZ TRP 117 -2.624 -11.892 -9.072 903 HH2 TRP 117 HH TRP 117 -2.662 -13.686 -10.733 904 H ILE 118 H ILE 118 -7.366 -7.767 -7.050 905 HA ILE 118 HA ILE 118 -9.695 -6.032 -7.343 906 HB ILE 118 HB ILE 118 -8.575 -7.055 -4.738 907 HG12 ILE 118 1HG1 ILE 118 -10.363 -8.352 -6.042 908 HG13 ILE 118 2HG1 ILE 118 -10.667 -8.007 -4.351 909 HG21 ILE 118 1HG2 ILE 118 -10.380 -4.681 -5.252 910 HG22 ILE 118 2HG2 ILE 118 -10.199 -5.472 -3.668 911 HG23 ILE 118 3HG2 ILE 118 -8.796 -4.698 -4.442 912 HD11 ILE 118 1HD1 ILE 118 -11.718 -6.334 -6.681 913 HD12 ILE 118 2HD1 ILE 118 -12.663 -7.541 -5.775 914 HD13 ILE 118 3HD1 ILE 118 -12.079 -6.072 -4.958 915 H CYS 119 H CYS 119 -9.227 -3.779 -6.943 916 HA CYS 119 HA CYS 119 -6.342 -3.258 -6.968 917 HB2 CYS 119 1HB CYS 119 -8.184 -2.667 -8.985 918 HB3 CYS 119 2HB CYS 119 -7.973 -1.141 -8.149 919 HG CYS 119 HG CYS 119 -5.584 -0.752 -8.525 920 H HIS 120 H HIS 120 -5.635 -2.008 -5.260 921 HA HIS 120 HA HIS 120 -7.722 -0.681 -3.696 922 HB2 HIS 120 1HB HIS 120 -5.056 -1.878 -2.933 923 HB3 HIS 120 2HB HIS 120 -5.901 -0.758 -1.883 924 HD1 HIS 120 1HD HIS 120 -7.284 -1.907 -0.163 925 HD2 HIS 120 2HD HIS 120 -7.022 -4.140 -3.705 926 HE1 HIS 120 1HE HIS 120 -8.593 -4.058 0.249 927 H CYS 121 H CYS 121 -7.328 1.479 -2.895 928 HA CYS 121 HA CYS 121 -5.092 2.829 -4.198 929 HB2 CYS 121 1HB CYS 121 -7.873 4.027 -4.146 930 HB3 CYS 121 2HB CYS 121 -6.452 4.640 -4.969 931 HG CYS 121 HG CYS 121 -6.592 3.381 -6.982 932 H PHE 122 H PHE 122 -4.426 4.794 -3.017 933 HA PHE 122 HA PHE 122 -5.737 5.258 -0.478 934 HB2 PHE 122 1HB PHE 122 -2.762 4.541 -0.813 935 HB3 PHE 122 2HB PHE 122 -3.533 4.947 0.708 936 HD1 PHE 122 1HD PHE 122 -3.558 2.433 -2.024 937 HD2 PHE 122 2HD PHE 122 -4.532 3.280 2.019 938 HE1 PHE 122 1HE PHE 122 -4.083 0.009 -1.642 939 HE2 PHE 122 2HE PHE 122 -5.057 0.856 2.400 940 HZ PHE 122 HZ PHE 122 -4.827 -0.751 0.565 941 H MET 123 H MET 123 -5.878 7.431 -0.196 942 HA MET 123 HA MET 123 -4.131 9.062 -1.822 943 HB2 MET 123 1HB MET 123 -6.843 9.259 -0.629 944 HB3 MET 123 2HB MET 123 -5.919 10.732 -0.408 945 HG2 MET 123 1HG MET 123 -5.757 9.540 -3.146 946 HG3 MET 123 2HG MET 123 -7.342 10.133 -2.689 947 HE1 MET 123 1HE MET 123 -4.982 12.760 -4.857 948 HE2 MET 123 2HE MET 123 -4.471 11.073 -4.611 949 HE3 MET 123 3HE MET 123 -6.153 11.436 -5.068 950 H ALA 124 H ALA 124 -2.137 9.169 -0.749 951 HA ALA 124 HA ALA 124 -1.604 9.164 1.880 952 HB1 ALA 124 1HB ALA 124 0.470 9.663 1.144 953 HB2 ALA 124 2HB ALA 124 -0.246 9.745 -0.483 954 HB3 ALA 124 3HB ALA 124 -0.057 11.229 0.482 955 H VAL 125 H VAL 125 -1.298 10.776 3.553 956 HA VAL 125 HA VAL 125 -3.334 12.816 3.408 957 HB VAL 125 HB VAL 125 -1.539 11.704 5.553 958 HG11 VAL 125 1HG1 VAL 125 -3.373 13.425 6.799 959 HG12 VAL 125 2HG1 VAL 125 -1.611 13.641 6.663 960 HG13 VAL 125 3HG1 VAL 125 -2.692 14.366 5.449 961 HG21 VAL 125 1HG2 VAL 125 -3.859 10.734 4.634 962 HG22 VAL 125 2HG2 VAL 125 -3.392 10.633 6.348 963 HG23 VAL 125 3HG2 VAL 125 -4.505 11.910 5.803 964 H LYS 126 H LYS 126 0.200 12.721 4.281 965 HA LYS 126 HA LYS 126 0.450 15.302 2.926 966 HB2 LYS 126 1HB LYS 126 1.890 16.107 4.785 967 HB3 LYS 126 2HB LYS 126 0.209 15.901 5.233 968 HG2 LYS 126 1HG LYS 126 0.815 13.592 6.142 969 HG3 LYS 126 2HG LYS 126 2.499 13.974 5.841 970 HD2 LYS 126 1HD LYS 126 2.508 14.863 7.939 971 HD3 LYS 126 2HD LYS 126 1.659 16.225 7.235 972 HE2 LYS 126 1HE LYS 126 -0.532 15.134 7.752 973 HE3 LYS 126 2HE LYS 126 0.310 13.761 8.443 974 HZ1 LYS 126 1HZ LYS 126 1.403 15.857 9.718 975 HZ2 LYS 126 2HZ LYS 126 -0.153 16.328 9.566 976 HZ3 LYS 126 3HZ LYS 126 0.204 14.919 10.310 977 H ASP 127 H ASP 127 0.998 12.898 1.690 978 HA ASP 127 HA ASP 127 3.876 13.092 1.554 979 HB2 ASP 127 1HB ASP 127 2.324 10.479 1.858 980 HB3 ASP 127 2HB ASP 127 4.008 10.557 1.381 981 H THR 128 H THR 128 4.403 11.203 -0.409 982 HA THR 128 HA THR 128 2.419 11.759 -2.514 983 HB THR 128 HB THR 128 4.506 13.183 -2.671 984 HG1 THR 128 1HG THR 128 4.401 10.986 -4.605 985 HG21 THR 128 1HG2 THR 128 6.638 12.192 -3.136 986 HG22 THR 128 2HG2 THR 128 6.034 11.267 -1.740 987 HG23 THR 128 3HG2 THR 128 5.925 10.580 -3.379 988 H GLY 129 H GLY 129 1.859 10.104 -3.882 989 HA2 GLY 129 1HA GLY 129 1.803 7.546 -3.050 990 HA3 GLY 129 2HA GLY 129 1.821 8.009 -4.740 991 H GLU 130 H GLU 130 4.457 9.095 -4.972 992 HA GLU 130 HA GLU 130 5.919 7.011 -5.679 993 HB2 GLU 130 1HB GLU 130 6.361 9.766 -5.328 994 HB3 GLU 130 2HB GLU 130 7.646 9.017 -4.401 995 HG2 GLU 130 1HG GLU 130 8.694 8.960 -6.452 996 HG3 GLU 130 2HG GLU 130 7.802 7.461 -6.616 997 H ARG 131 H ARG 131 6.104 8.573 -2.400 998 HA ARG 131 HA ARG 131 7.942 6.783 -1.396 999 HB2 ARG 131 1HB ARG 131 5.800 8.491 -0.046 1000 HB3 ARG 131 2HB ARG 131 6.956 7.554 0.879 1001 HG2 ARG 131 1HG ARG 131 8.798 8.750 -0.517 1002 HG3 ARG 131 2HG ARG 131 7.534 9.845 -1.042 1003 HD2 ARG 131 1HD ARG 131 7.012 10.312 1.409 1004 HD3 ARG 131 2HD ARG 131 8.403 9.340 1.844 1005 HE ARG 131 HE ARG 131 9.844 11.042 1.057 1006 HH11 ARG 131 2HH2 ARG 131 6.511 11.753 0.181 1007 HH12 ARG 131 1HH2 ARG 131 6.851 13.380 -0.303 1008 HH21 ARG 131 2HH1 ARG 131 10.293 13.190 0.418 1009 HH22 ARG 131 1HH1 ARG 131 9.017 14.204 -0.167 1010 H LEU 132 H LEU 132 4.338 6.766 -1.483 1011 HA LEU 132 HA LEU 132 3.986 4.565 0.211 1012 HB2 LEU 132 1HB LEU 132 2.325 5.918 -1.891 1013 HB3 LEU 132 2HB LEU 132 1.770 4.436 -1.138 1014 HG LEU 132 HG LEU 132 2.332 5.809 1.093 1015 HD11 LEU 132 1HD1 LEU 132 2.792 7.760 -0.829 1016 HD12 LEU 132 2HD1 LEU 132 1.163 8.132 -0.216 1017 HD13 LEU 132 3HD1 LEU 132 2.534 8.018 0.913 1018 HD21 LEU 132 1HD2 LEU 132 0.002 6.237 1.323 1019 HD22 LEU 132 2HD2 LEU 132 -0.231 6.292 -0.441 1020 HD23 LEU 132 3HD2 LEU 132 0.171 4.752 0.356 1021 H SER 133 H SER 133 4.738 4.895 -3.265 1022 HA SER 133 HA SER 133 4.193 2.211 -3.865 1023 HB2 SER 133 1HB SER 133 4.938 2.729 -6.015 1024 HB3 SER 133 2HB SER 133 4.486 4.316 -5.424 1025 HG SER 133 HG SER 133 6.690 4.017 -6.495 1026 H HIS 134 H HIS 134 6.747 3.816 -2.159 1027 HA HIS 134 HA HIS 134 8.756 1.877 -2.823 1028 HB2 HIS 134 1HB HIS 134 9.400 4.179 -2.424 1029 HB3 HIS 134 2HB HIS 134 8.673 4.157 -0.830 1030 HD1 HIS 134 1HD HIS 134 10.429 4.037 0.926 1031 HD2 HIS 134 2HD HIS 134 11.462 1.804 -2.471 1032 HE1 HIS 134 1HE HIS 134 12.697 2.981 1.428 1033 H ALA 135 H ALA 135 7.099 2.882 0.260 1034 HA ALA 135 HA ALA 135 7.944 0.918 1.890 1035 HB1 ALA 135 1HB ALA 135 5.728 1.190 3.040 1036 HB2 ALA 135 2HB ALA 135 6.506 2.734 2.620 1037 HB3 ALA 135 3HB ALA 135 5.159 2.119 1.633 1038 H VAL 136 H VAL 136 5.106 0.700 -0.368 1039 HA VAL 136 HA VAL 136 4.443 -1.920 0.242 1040 HB VAL 136 HB VAL 136 3.055 -0.309 -0.990 1041 HG11 VAL 136 1HG1 VAL 136 3.489 0.468 -3.120 1042 HG12 VAL 136 2HG1 VAL 136 5.137 0.377 -2.456 1043 HG13 VAL 136 3HG1 VAL 136 4.538 -0.910 -3.530 1044 HG21 VAL 136 1HG2 VAL 136 2.739 -2.149 -3.039 1045 HG22 VAL 136 2HG2 VAL 136 3.510 -3.101 -1.748 1046 HG23 VAL 136 3HG2 VAL 136 1.989 -2.233 -1.426 1047 H GLY 137 H GLY 137 6.848 -0.542 -2.051 1048 HA2 GLY 137 1HA GLY 137 7.516 -3.056 -3.229 1049 HA3 GLY 137 2HA GLY 137 8.390 -1.543 -3.366 1050 H CYS 138 H CYS 138 8.183 -1.583 -0.157 1051 HA CYS 138 HA CYS 138 10.795 -2.683 0.140 1052 HB2 CYS 138 1HB CYS 138 8.922 -1.593 2.266 1053 HB3 CYS 138 2HB CYS 138 10.637 -1.899 2.450 1054 HG CYS 138 HG CYS 138 10.988 -0.388 0.034 1055 H ALA 139 H ALA 139 7.481 -3.360 1.491 1056 HA ALA 139 HA ALA 139 8.217 -5.677 2.864 1057 HB1 ALA 139 1HB ALA 139 5.618 -6.096 2.455 1058 HB2 ALA 139 2HB ALA 139 6.184 -4.805 3.542 1059 HB3 ALA 139 3HB ALA 139 5.675 -4.412 1.882 1060 H PHE 140 H PHE 140 6.637 -5.249 -0.384 1061 HA PHE 140 HA PHE 140 6.455 -7.868 -1.087 1062 HB2 PHE 140 1HB PHE 140 6.000 -5.423 -2.230 1063 HB3 PHE 140 2HB PHE 140 7.492 -5.808 -3.065 1064 HD1 PHE 140 1HD PHE 140 4.116 -7.204 -2.346 1065 HD2 PHE 140 2HD PHE 140 7.436 -7.117 -4.988 1066 HE1 PHE 140 1HE PHE 140 2.831 -8.580 -4.006 1067 HE2 PHE 140 2HE PHE 140 6.150 -8.493 -6.648 1068 HZ PHE 140 HZ PHE 140 3.863 -9.208 -6.138 1069 H ALA 141 H ALA 141 9.265 -5.647 -1.719 1070 HA ALA 141 HA ALA 141 10.856 -7.556 -2.962 1071 HB1 ALA 141 1HB ALA 141 12.716 -5.971 -2.277 1072 HB2 ALA 141 2HB ALA 141 11.355 -5.208 -3.134 1073 HB3 ALA 141 3HB ALA 141 11.497 -5.047 -1.367 1074 H ALA 142 H ALA 142 10.366 -6.714 0.501 1075 HA ALA 142 HA ALA 142 12.465 -8.321 1.466 1076 HB1 ALA 142 1HB ALA 142 11.293 -6.433 2.663 1077 HB2 ALA 142 2HB ALA 142 9.891 -7.510 2.871 1078 HB3 ALA 142 3HB ALA 142 11.450 -7.923 3.624 1079 H CYS 143 H CYS 143 8.870 -8.869 1.326 1080 HA CYS 143 HA CYS 143 8.910 -11.442 2.267 1081 HB2 CYS 143 1HB CYS 143 6.863 -10.103 1.965 1082 HB3 CYS 143 2HB CYS 143 7.014 -10.236 0.224 1083 HG CYS 143 HG CYS 143 5.707 -12.129 2.340 1084 H LEU 144 H LEU 144 9.199 -10.169 -1.119 1085 HA LEU 144 HA LEU 144 9.357 -12.658 -2.364 1086 HB2 LEU 144 1HB LEU 144 10.094 -9.850 -3.063 1087 HB3 LEU 144 2HB LEU 144 10.680 -11.148 -4.084 1088 HG LEU 144 HG LEU 144 7.813 -10.381 -3.514 1089 HD11 LEU 144 1HD1 LEU 144 7.764 -10.289 -6.044 1090 HD12 LEU 144 2HD1 LEU 144 8.736 -9.040 -5.230 1091 HD13 LEU 144 3HD1 LEU 144 9.537 -10.433 -5.996 1092 HD21 LEU 144 1HD2 LEU 144 7.453 -12.625 -3.504 1093 HD22 LEU 144 2HD2 LEU 144 7.471 -12.362 -5.264 1094 HD23 LEU 144 3HD2 LEU 144 8.922 -12.985 -4.442 1095 H GLU 145 H GLU 145 11.931 -10.431 -1.123 1096 HA GLU 145 HA GLU 145 14.129 -11.647 -1.941 1097 HB2 GLU 145 1HB GLU 145 13.407 -9.928 0.232 1098 HB3 GLU 145 2HB GLU 145 14.473 -11.152 0.893 1099 HG2 GLU 145 1HG GLU 145 15.674 -10.463 -1.567 1100 HG3 GLU 145 2HG GLU 145 15.094 -8.933 -0.937 1101 H ARG 146 H ARG 146 12.155 -12.695 0.917 1102 HA ARG 146 HA ARG 146 13.714 -14.700 1.793 1103 HB2 ARG 146 1HB ARG 146 10.781 -14.125 1.798 1104 HB3 ARG 146 2HB ARG 146 11.193 -15.800 2.109 1105 HG2 ARG 146 1HG ARG 146 11.897 -15.312 4.211 1106 HG3 ARG 146 2HG ARG 146 12.984 -14.071 3.620 1107 HD2 ARG 146 1HD ARG 146 10.716 -12.667 3.339 1108 HD3 ARG 146 2HD ARG 146 10.115 -13.799 4.534 1109 HE ARG 146 HE ARG 146 12.608 -12.900 5.505 1110 HH11 ARG 146 2HH2 ARG 146 9.482 -11.492 4.710 1111 HH12 ARG 146 1HH2 ARG 146 9.622 -10.210 5.865 1112 HH21 ARG 146 2HH1 ARG 146 12.793 -11.208 7.031 1113 HH22 ARG 146 1HH1 ARG 146 11.518 -10.047 7.195 1114 H LYS 147 H LYS 147 11.335 -14.740 -0.926 1115 HA LYS 147 HA LYS 147 11.841 -17.524 -1.454 1116 HB2 LYS 147 1HB LYS 147 10.351 -15.699 -3.315 1117 HB3 LYS 147 2HB LYS 147 10.088 -17.397 -2.970 1118 HG2 LYS 147 1HG LYS 147 9.486 -16.642 -0.552 1119 HG3 LYS 147 2HG LYS 147 9.420 -15.014 -1.196 1120 HD2 LYS 147 1HD LYS 147 7.818 -17.349 -2.339 1121 HD3 LYS 147 2HD LYS 147 7.184 -16.228 -1.150 1122 HE2 LYS 147 1HE LYS 147 6.887 -14.558 -2.694 1123 HE3 LYS 147 2HE LYS 147 8.427 -14.867 -3.471 1124 HZ1 LYS 147 1HZ LYS 147 7.418 -16.780 -4.543 1125 HZ2 LYS 147 2HZ LYS 147 5.980 -16.453 -3.842 1126 HZ3 LYS 147 3HZ LYS 147 6.619 -15.406 -4.920 1127 H GLN 148 H GLN 148 12.356 -14.388 -3.221 1128 HA GLN 148 HA GLN 148 13.839 -15.527 -5.247 1129 HB2 GLN 148 1HB GLN 148 13.999 -12.692 -4.129 1130 HB3 GLN 148 2HB GLN 148 14.604 -13.195 -5.696 1131 HG2 GLN 148 1HG GLN 148 11.861 -14.094 -5.444 1132 HG3 GLN 148 2HG GLN 148 11.930 -12.400 -5.001 1133 HE21 GLN 148 1HE2 GLN 148 12.265 -10.868 -6.497 1134 HE22 GLN 148 2HE2 GLN 148 12.466 -11.149 -8.194 1135 H LYS 149 H LYS 149 16.284 -14.221 -5.482 1136 HA LYS 149 HA LYS 149 17.804 -15.617 -3.437 1137 HB2 LYS 149 1HB LYS 149 18.408 -14.543 -6.183 1138 HB3 LYS 149 2HB LYS 149 19.713 -14.889 -5.068 1139 HG2 LYS 149 1HG LYS 149 18.864 -17.223 -4.786 1140 HG3 LYS 149 2HG LYS 149 17.543 -16.880 -5.884 1141 HD2 LYS 149 1HD LYS 149 20.424 -16.456 -6.754 1142 HD3 LYS 149 2HD LYS 149 19.697 -18.048 -6.827 1143 HE2 LYS 149 1HE LYS 149 18.305 -17.490 -8.583 1144 HE3 LYS 149 2HE LYS 149 18.027 -15.864 -7.990 1145 HZ1 LYS 149 1HZ LYS 149 20.629 -15.834 -8.636 1146 HZ2 LYS 149 2HZ LYS 149 20.012 -16.799 -9.799 1147 HZ3 LYS 149 3HZ LYS 149 19.422 -15.290 -9.592 1148 H ARG 150 H ARG 150 20.100 -14.248 -3.132 1149 HA ARG 150 HA ARG 150 19.255 -12.135 -1.496 1150 HB2 ARG 150 1HB ARG 150 21.834 -13.485 -2.193 1151 HB3 ARG 150 2HB ARG 150 21.994 -11.827 -1.647 1152 HG2 ARG 150 1HG ARG 150 20.135 -12.950 0.151 1153 HG3 ARG 150 2HG ARG 150 21.296 -14.237 -0.107 1154 HD2 ARG 150 1HD ARG 150 22.304 -13.051 1.655 1155 HD3 ARG 150 2HD ARG 150 23.111 -12.351 0.266 1156 HE ARG 150 HE ARG 150 20.808 -10.784 0.658 1157 HH11 ARG 150 2HH2 ARG 150 23.677 -11.625 2.514 1158 HH12 ARG 150 1HH2 ARG 150 23.689 -10.143 3.410 1159 HH21 ARG 150 2HH1 ARG 150 20.823 -8.828 1.840 1160 HH22 ARG 150 1HH1 ARG 150 22.055 -8.541 3.024 1161 H SER 151 H SER 151 19.996 -9.839 -1.655 1162 HA SER 151 HA SER 151 21.334 -8.770 -3.749 1163 HB2 SER 151 1HB SER 151 18.512 -9.408 -4.434 1164 HB3 SER 151 2HB SER 151 18.982 -7.758 -4.792 1165 HG SER 151 HG SER 151 19.644 -10.077 -6.117 1166 H GLY 152 H GLY 152 21.263 -6.376 -3.695 1167 HA2 GLY 152 1HA GLY 152 19.760 -5.343 -1.364 1168 HA3 GLY 152 2HA GLY 152 21.427 -4.918 -1.698 1169 HA PRO 153 HA PRO 153 18.421 -2.237 -4.080 1170 HB2 PRO 153 1HB PRO 153 17.836 -0.212 -2.340 1171 HB3 PRO 153 2HB PRO 153 16.766 -1.570 -2.624 1172 HG2 PRO 153 1HG PRO 153 18.506 -1.038 -0.294 1173 HG3 PRO 153 2HG PRO 153 17.141 -2.130 -0.418 1174 HD2 PRO 153 1HD PRO 153 19.919 -2.844 -0.447 1175 HD3 PRO 153 2HD PRO 153 18.558 -3.921 -0.687 1176 H SER 154 H SER 154 18.609 0.352 -4.418 1177 HA SER 154 HA SER 154 21.479 0.813 -4.194 1178 HB2 SER 154 1HB SER 154 20.529 0.202 -6.552 1179 HB3 SER 154 2HB SER 154 19.821 1.804 -6.536 1180 HG SER 154 HG SER 154 21.784 2.166 -7.467 1181 H SER 155 H SER 155 18.261 2.364 -4.893 1182 HA SER 155 HA SER 155 17.338 4.184 -4.146 1183 HB2 SER 155 1HB SER 155 18.370 3.335 -1.898 1184 HB3 SER 155 2HB SER 155 19.558 4.604 -2.117 1185 HG SER 155 HG SER 155 17.950 6.184 -1.995 1186 H GLY 156 H GLY 156 20.868 4.887 -3.567 1187 HA2 GLY 156 1HA GLY 156 22.081 6.068 -5.322 1188 HA3 GLY 156 2HA GLY 156 20.650 7.048 -5.578 Start of MODEL 11 1 H1 GLY 1 H GLY 1 8.582 -14.672 10.934 2 HA2 GLY 1 1HA GLY 1 10.581 -16.575 11.468 3 HA3 GLY 1 2HA GLY 1 10.567 -16.252 9.746 4 H SER 2 H SER 2 12.452 -15.511 12.114 5 HA SER 2 HA SER 2 13.077 -12.960 11.081 6 HB2 SER 2 1HB SER 2 12.673 -11.573 12.959 7 HB3 SER 2 2HB SER 2 11.206 -12.519 12.809 8 HG SER 2 HG SER 2 12.312 -14.042 14.410 9 H SER 3 H SER 3 15.070 -12.035 12.400 10 HA SER 3 HA SER 3 16.479 -14.203 13.704 11 HB2 SER 3 1HB SER 3 18.552 -13.641 12.381 12 HB3 SER 3 2HB SER 3 17.276 -14.371 11.427 13 HG SER 3 HG SER 3 18.490 -12.229 10.731 14 H GLY 4 H GLY 4 18.664 -13.256 14.669 15 HA2 GLY 4 1HA GLY 4 18.189 -10.467 15.531 16 HA3 GLY 4 2HA GLY 4 18.602 -11.740 16.662 17 H SER 5 H SER 5 19.933 -9.154 15.217 18 HA SER 5 HA SER 5 22.528 -9.976 15.704 19 HB2 SER 5 1HB SER 5 23.374 -9.762 13.277 20 HB3 SER 5 2HB SER 5 22.583 -11.263 13.712 21 HG SER 5 HG SER 5 21.017 -9.122 12.620 22 H SER 6 H SER 6 24.138 -8.200 14.680 23 HA SER 6 HA SER 6 23.166 -5.754 15.544 24 HB2 SER 6 1HB SER 6 25.317 -4.894 14.987 25 HB3 SER 6 2HB SER 6 25.597 -6.568 15.423 26 HG SER 6 HG SER 6 26.718 -6.291 13.517 27 H GLY 7 H GLY 7 22.992 -3.704 14.235 28 HA2 GLY 7 1HA GLY 7 22.425 -4.100 11.391 29 HA3 GLY 7 2HA GLY 7 21.109 -3.557 12.414 30 H ALA 8 H ALA 8 21.512 -1.553 13.792 31 HA ALA 8 HA ALA 8 22.045 0.588 13.946 32 HB1 ALA 8 1HB ALA 8 24.281 -0.231 14.467 33 HB2 ALA 8 2HB ALA 8 24.667 -0.378 12.735 34 HB3 ALA 8 3HB ALA 8 24.415 1.229 13.458 35 H SER 9 H SER 9 20.874 1.979 12.729 36 HA SER 9 HA SER 9 21.822 2.678 10.166 37 HB2 SER 9 1HB SER 9 20.271 0.482 9.993 38 HB3 SER 9 2HB SER 9 18.987 1.674 10.050 39 HG SER 9 HG SER 9 19.699 1.177 7.857 40 H ARG 10 H ARG 10 19.894 4.208 9.113 41 HA ARG 10 HA ARG 10 18.471 5.501 11.249 42 HB2 ARG 10 1HB ARG 10 20.737 6.751 9.679 43 HB3 ARG 10 2HB ARG 10 19.389 7.770 10.141 44 HG2 ARG 10 1HG ARG 10 20.212 6.124 12.408 45 HG3 ARG 10 2HG ARG 10 21.596 6.982 11.762 46 HD2 ARG 10 1HD ARG 10 19.228 8.725 11.900 47 HD3 ARG 10 2HD ARG 10 19.608 8.042 13.468 48 HE ARG 10 HE ARG 10 21.095 10.092 12.140 49 HH11 ARG 10 2HH2 ARG 10 21.638 7.148 13.989 50 HH12 ARG 10 1HH2 ARG 10 23.178 7.660 14.595 51 HH21 ARG 10 2HH1 ARG 10 23.127 10.768 12.938 52 HH22 ARG 10 1HH1 ARG 10 24.031 9.733 13.992 53 HA PRO 11 HA PRO 11 15.675 6.260 7.989 54 HB2 PRO 11 1HB PRO 11 14.406 8.563 8.734 55 HB3 PRO 11 2HB PRO 11 14.026 6.995 9.419 56 HG2 PRO 11 1HG PRO 11 15.542 9.227 10.627 57 HG3 PRO 11 2HG PRO 11 14.795 7.852 11.417 58 HD2 PRO 11 1HD PRO 11 17.589 8.212 10.877 59 HD3 PRO 11 2HD PRO 11 16.828 6.789 11.561 60 H HIS 12 H HIS 12 14.707 8.046 6.416 61 HA HIS 12 HA HIS 12 16.192 10.229 5.788 62 HB2 HIS 12 1HB HIS 12 17.725 7.907 5.270 63 HB3 HIS 12 2HB HIS 12 17.206 8.502 3.706 64 HD1 HIS 12 1HD HIS 12 20.100 8.746 4.006 65 HD2 HIS 12 2HD HIS 12 17.539 11.666 5.591 66 HE1 HIS 12 1HE HIS 12 21.508 10.855 4.290 67 H GLN 13 H GLN 13 16.205 10.020 2.888 68 HA GLN 13 HA GLN 13 13.450 10.390 2.489 69 HB2 GLN 13 1HB GLN 13 15.903 10.435 0.721 70 HB3 GLN 13 2HB GLN 13 14.314 10.486 -0.015 71 HG2 GLN 13 1HG GLN 13 13.739 12.539 1.078 72 HG3 GLN 13 2HG GLN 13 15.028 12.378 2.254 73 HE21 GLN 13 1HE2 GLN 13 15.537 14.558 1.599 74 HE22 GLN 13 2HE2 GLN 13 16.543 14.848 0.219 75 H TRP 14 H TRP 14 12.254 8.491 2.836 76 HA TRP 14 HA TRP 14 11.184 6.704 1.966 77 HB2 TRP 14 1HB TRP 14 13.505 6.385 0.054 78 HB3 TRP 14 2HB TRP 14 12.019 5.456 0.039 79 HD1 TRP 14 HD TRP 14 11.947 9.291 0.532 80 HE1 TRP 14 1HE TRP 14 10.744 10.486 -1.490 81 HE3 TRP 14 3HE TRP 14 11.491 5.121 -2.341 82 HZ2 TRP 14 2HZ TRP 14 9.758 9.573 -4.007 83 HZ3 TRP 14 3HZ TRP 14 10.396 5.360 -4.568 84 HH2 TRP 14 HH TRP 14 9.544 7.490 -5.412 85 H GLN 15 H GLN 15 14.557 6.893 2.950 86 HA GLN 15 HA GLN 15 14.945 4.175 3.440 87 HB2 GLN 15 1HB GLN 15 16.945 5.356 3.381 88 HB3 GLN 15 2HB GLN 15 16.286 6.741 4.229 89 HG2 GLN 15 1HG GLN 15 16.665 5.823 6.332 90 HG3 GLN 15 2HG GLN 15 16.411 4.178 5.783 91 HE21 GLN 15 1HE2 GLN 15 18.083 2.934 5.264 92 HE22 GLN 15 2HE2 GLN 15 19.742 3.428 5.203 93 H THR 16 H THR 16 13.388 6.808 5.252 94 HA THR 16 HA THR 16 13.400 5.554 7.779 95 HB THR 16 HB THR 16 13.036 7.987 7.411 96 HG1 THR 16 1HG THR 16 12.040 7.145 9.298 97 HG21 THR 16 1HG2 THR 16 11.558 7.568 5.274 98 HG22 THR 16 2HG2 THR 16 10.239 7.281 6.434 99 HG23 THR 16 3HG2 THR 16 11.059 8.860 6.391 100 H ASP 17 H ASP 17 11.610 4.940 4.847 101 HA ASP 17 HA ASP 17 9.553 3.574 6.332 102 HB2 ASP 17 1HB ASP 17 9.943 4.571 3.562 103 HB3 ASP 17 2HB ASP 17 9.146 3.012 3.632 104 H GLU 18 H GLU 18 12.654 3.037 4.905 105 HA GLU 18 HA GLU 18 12.215 0.401 3.998 106 HB2 GLU 18 1HB GLU 18 14.703 2.049 4.573 107 HB3 GLU 18 2HB GLU 18 14.814 0.375 4.066 108 HG2 GLU 18 1HG GLU 18 13.081 1.255 2.170 109 HG3 GLU 18 2HG GLU 18 13.881 2.775 2.515 110 H GLU 19 H GLU 19 13.285 1.934 7.051 111 HA GLU 19 HA GLU 19 14.181 -0.455 8.214 112 HB2 GLU 19 1HB GLU 19 14.521 0.828 10.164 113 HB3 GLU 19 2HB GLU 19 14.694 2.004 8.877 114 HG2 GLU 19 1HG GLU 19 12.271 2.648 9.181 115 HG3 GLU 19 2HG GLU 19 12.164 1.524 10.521 116 H GLY 20 H GLY 20 11.075 1.392 8.327 117 HA2 GLY 20 1HA GLY 20 9.719 -0.042 10.244 118 HA3 GLY 20 2HA GLY 20 8.990 0.740 8.856 119 H VAL 21 H VAL 21 10.484 -0.907 6.850 120 HA VAL 21 HA VAL 21 8.723 -3.201 6.971 121 HB VAL 21 HB VAL 21 9.001 -1.742 4.959 122 HG11 VAL 21 1HG1 VAL 21 11.109 -2.535 3.559 123 HG12 VAL 21 2HG1 VAL 21 11.213 -1.173 4.700 124 HG13 VAL 21 3HG1 VAL 21 11.802 -2.784 5.179 125 HG21 VAL 21 1HG2 VAL 21 8.905 -3.556 3.374 126 HG22 VAL 21 2HG2 VAL 21 9.770 -4.641 4.489 127 HG23 VAL 21 3HG2 VAL 21 8.125 -4.085 4.884 128 H ARG 22 H ARG 22 11.969 -2.331 7.806 129 HA ARG 22 HA ARG 22 12.977 -4.969 7.377 130 HB2 ARG 22 1HB ARG 22 15.036 -3.982 7.616 131 HB3 ARG 22 2HB ARG 22 14.154 -2.471 7.501 132 HG2 ARG 22 1HG ARG 22 13.876 -2.509 10.028 133 HG3 ARG 22 2HG ARG 22 14.898 -3.931 10.079 134 HD2 ARG 22 1HD ARG 22 16.826 -2.735 9.345 135 HD3 ARG 22 2HD ARG 22 15.877 -1.421 8.677 136 HE ARG 22 HE ARG 22 15.206 -1.236 11.308 137 HH11 ARG 22 2HH2 ARG 22 18.341 -1.620 9.757 138 HH12 ARG 22 1HH2 ARG 22 19.205 -0.791 11.009 139 HH21 ARG 22 2HH1 ARG 22 16.345 -0.142 12.959 140 HH22 ARG 22 1HH1 ARG 22 18.062 0.056 12.842 141 H THR 23 H THR 23 11.746 -2.907 10.032 142 HA THR 23 HA THR 23 12.244 -5.101 11.927 143 HB THR 23 HB THR 23 13.240 -2.849 12.441 144 HG1 THR 23 1HG THR 23 12.487 -3.109 14.566 145 HG21 THR 23 1HG2 THR 23 10.348 -1.940 12.818 146 HG22 THR 23 2HG2 THR 23 11.827 -0.958 12.952 147 HG23 THR 23 3HG2 THR 23 11.280 -1.530 11.357 148 H GLY 24 H GLY 24 9.725 -2.676 10.966 149 HA2 GLY 24 1HA GLY 24 7.576 -3.913 10.428 150 HA3 GLY 24 2HA GLY 24 7.712 -4.539 12.059 151 H LYS 25 H LYS 25 7.813 -1.377 10.267 152 HA LYS 25 HA LYS 25 5.724 -0.274 11.750 153 HB2 LYS 25 1HB LYS 25 7.084 1.434 13.036 154 HB3 LYS 25 2HB LYS 25 7.065 -0.194 13.684 155 HG2 LYS 25 1HG LYS 25 9.347 0.138 13.754 156 HG3 LYS 25 2HG LYS 25 9.247 -0.441 12.104 157 HD2 LYS 25 1HD LYS 25 9.517 1.700 11.179 158 HD3 LYS 25 2HD LYS 25 8.855 2.511 12.584 159 HE2 LYS 25 1HE LYS 25 11.489 0.997 12.752 160 HE3 LYS 25 2HE LYS 25 11.436 2.652 12.179 161 HZ1 LYS 25 1HZ LYS 25 11.741 2.204 14.654 162 HZ2 LYS 25 2HZ LYS 25 10.716 3.395 14.209 163 HZ3 LYS 25 3HZ LYS 25 10.128 1.949 14.688 164 H CYS 26 H CYS 26 6.293 -0.561 9.045 165 HA CYS 26 HA CYS 26 7.286 2.055 8.233 166 HB2 CYS 26 1HB CYS 26 8.313 0.168 7.095 167 HB3 CYS 26 2HB CYS 26 6.746 -0.465 6.630 168 HG CYS 26 HG CYS 26 7.340 2.672 5.989 169 H SER 27 H SER 27 5.102 2.720 9.424 170 HA SER 27 HA SER 27 2.956 2.500 7.460 171 HB2 SER 27 1HB SER 27 1.388 2.410 9.170 172 HB3 SER 27 2HB SER 27 2.733 1.601 9.947 173 HG SER 27 HG SER 27 1.592 3.402 11.164 174 H PHE 28 H PHE 28 1.663 4.462 7.066 175 HA PHE 28 HA PHE 28 2.778 6.923 8.133 176 HB2 PHE 28 1HB PHE 28 2.436 7.532 5.447 177 HB3 PHE 28 2HB PHE 28 3.984 7.089 6.140 178 HD1 PHE 28 1HD PHE 28 4.641 4.612 6.088 179 HD2 PHE 28 2HD PHE 28 1.467 6.215 3.772 180 HE1 PHE 28 1HE PHE 28 4.761 2.631 4.551 181 HE2 PHE 28 2HE PHE 28 1.587 4.235 2.235 182 HZ PHE 28 HZ PHE 28 3.233 2.466 2.643 183 HA PRO 29 HA PRO 29 -1.333 8.243 7.801 184 HB2 PRO 29 1HB PRO 29 -1.134 10.923 7.307 185 HB3 PRO 29 2HB PRO 29 -0.908 10.223 8.897 186 HG2 PRO 29 1HG PRO 29 1.129 11.261 7.024 187 HG3 PRO 29 2HG PRO 29 1.272 10.959 8.744 188 HD2 PRO 29 1HD PRO 29 2.307 9.328 6.624 189 HD3 PRO 29 2HD PRO 29 2.348 8.969 8.338 190 H VAL 30 H VAL 30 -2.777 7.566 6.360 191 HA VAL 30 HA VAL 30 -2.654 8.910 3.781 192 HB VAL 30 HB VAL 30 -2.523 6.988 2.505 193 HG11 VAL 30 1HG1 VAL 30 -0.531 5.766 3.252 194 HG12 VAL 30 2HG1 VAL 30 -0.361 7.513 3.552 195 HG13 VAL 30 3HG1 VAL 30 -0.742 6.411 4.897 196 HG21 VAL 30 1HG2 VAL 30 -2.867 4.720 3.272 197 HG22 VAL 30 2HG2 VAL 30 -2.988 5.266 4.962 198 HG23 VAL 30 3HG2 VAL 30 -4.246 5.721 3.787 199 H LYS 31 H LYS 31 -4.709 7.747 2.461 200 HA LYS 31 HA LYS 31 -6.912 7.686 4.394 201 HB2 LYS 31 1HB LYS 31 -6.612 9.441 1.960 202 HB3 LYS 31 2HB LYS 31 -8.198 8.981 2.546 203 HG2 LYS 31 1HG LYS 31 -8.082 10.497 4.230 204 HG3 LYS 31 2HG LYS 31 -6.574 9.813 4.804 205 HD2 LYS 31 1HD LYS 31 -5.951 12.019 4.246 206 HD3 LYS 31 2HD LYS 31 -5.455 11.117 2.827 207 HE2 LYS 31 1HE LYS 31 -7.202 11.954 1.502 208 HE3 LYS 31 2HE LYS 31 -8.262 12.221 2.872 209 HZ1 LYS 31 1HZ LYS 31 -5.948 13.790 3.113 210 HZ2 LYS 31 2HZ LYS 31 -6.648 14.063 1.663 211 HZ3 LYS 31 3HZ LYS 31 -7.508 14.269 3.035 212 H TYR 32 H TYR 32 -8.513 6.175 3.968 213 HA TYR 32 HA TYR 32 -7.817 4.239 1.925 214 HB2 TYR 32 1HB TYR 32 -8.467 3.720 4.351 215 HB3 TYR 32 2HB TYR 32 -10.034 4.450 4.059 216 HD1 TYR 32 1HD TYR 32 -8.407 2.392 1.473 217 HD2 TYR 32 2HD TYR 32 -11.237 2.424 4.682 218 HE1 TYR 32 1HE TYR 32 -9.315 0.144 0.705 219 HE2 TYR 32 2HE TYR 32 -12.135 0.177 3.903 220 HH TYR 32 HH TYR 32 -12.207 -1.037 1.620 221 H LEU 33 H LEU 33 -8.486 4.747 -0.122 222 HA LEU 33 HA LEU 33 -10.845 6.281 -0.554 223 HB2 LEU 33 1HB LEU 33 -8.951 4.809 -2.382 224 HB3 LEU 33 2HB LEU 33 -10.345 5.698 -2.963 225 HG LEU 33 HG LEU 33 -8.056 6.898 -1.379 226 HD11 LEU 33 1HD1 LEU 33 -7.536 8.026 -3.583 227 HD12 LEU 33 2HD1 LEU 33 -7.176 6.285 -3.489 228 HD13 LEU 33 3HD1 LEU 33 -8.631 6.847 -4.346 229 HD21 LEU 33 1HD2 LEU 33 -9.914 8.240 -0.920 230 HD22 LEU 33 2HD2 LEU 33 -9.110 9.060 -2.280 231 HD23 LEU 33 3HD2 LEU 33 -10.564 8.074 -2.568 232 H GLY 34 H GLY 34 -9.923 2.806 -0.769 233 HA2 GLY 34 1HA GLY 34 -11.945 1.457 0.023 234 HA3 GLY 34 2HA GLY 34 -12.736 2.161 -1.373 235 H HIS 35 H HIS 35 -13.023 0.167 -2.482 236 HA HIS 35 HA HIS 35 -10.548 -0.821 -3.658 237 HB2 HIS 35 1HB HIS 35 -11.670 -3.166 -3.469 238 HB3 HIS 35 2HB HIS 35 -10.758 -2.512 -2.123 239 HD1 HIS 35 1HD HIS 35 -11.979 -3.559 -0.171 240 HD2 HIS 35 2HD HIS 35 -14.565 -1.639 -2.859 241 HE1 HIS 35 1HE HIS 35 -14.284 -3.569 0.923 242 H VAL 36 H VAL 36 -10.730 -1.352 -5.843 243 HA VAL 36 HA VAL 36 -13.440 -1.202 -6.957 244 HB VAL 36 HB VAL 36 -12.643 0.158 -8.767 245 HG11 VAL 36 1HG1 VAL 36 -12.945 2.052 -7.608 246 HG12 VAL 36 2HG1 VAL 36 -12.959 1.031 -6.150 247 HG13 VAL 36 3HG1 VAL 36 -11.449 1.816 -6.673 248 HG21 VAL 36 1HG2 VAL 36 -10.443 0.813 -9.149 249 HG22 VAL 36 2HG2 VAL 36 -9.946 0.495 -7.469 250 HG23 VAL 36 3HG2 VAL 36 -10.250 -0.863 -8.579 251 H GLU 37 H GLU 37 -13.688 -2.362 -9.010 252 HA GLU 37 HA GLU 37 -11.962 -4.662 -9.007 253 HB2 GLU 37 1HB GLU 37 -14.640 -4.472 -9.256 254 HB3 GLU 37 2HB GLU 37 -14.231 -4.364 -10.957 255 HG2 GLU 37 1HG GLU 37 -12.780 -6.469 -10.616 256 HG3 GLU 37 2HG GLU 37 -13.512 -6.616 -9.031 257 H VAL 38 H VAL 38 -10.328 -5.008 -10.464 258 HA VAL 38 HA VAL 38 -9.883 -2.971 -12.455 259 HB VAL 38 HB VAL 38 -7.781 -4.256 -12.821 260 HG11 VAL 38 1HG1 VAL 38 -6.964 -3.871 -10.351 261 HG12 VAL 38 2HG1 VAL 38 -7.465 -2.492 -11.359 262 HG13 VAL 38 3HG1 VAL 38 -8.581 -3.156 -10.141 263 HG21 VAL 38 1HG2 VAL 38 -9.214 -6.282 -11.390 264 HG22 VAL 38 2HG2 VAL 38 -7.605 -6.372 -12.145 265 HG23 VAL 38 3HG2 VAL 38 -7.766 -5.843 -10.454 266 H ASP 39 H ASP 39 -8.847 -4.097 -14.637 267 HA ASP 39 HA ASP 39 -10.681 -6.184 -15.453 268 HB2 ASP 39 1HB ASP 39 -11.157 -3.547 -16.131 269 HB3 ASP 39 2HB ASP 39 -10.168 -4.059 -17.484 270 H GLU 40 H GLU 40 -7.633 -5.465 -14.868 271 HA GLU 40 HA GLU 40 -6.678 -6.827 -17.239 272 HB2 GLU 40 1HB GLU 40 -5.208 -4.428 -16.074 273 HB3 GLU 40 2HB GLU 40 -4.797 -5.317 -17.527 274 HG2 GLU 40 1HG GLU 40 -7.511 -3.979 -17.266 275 HG3 GLU 40 2HG GLU 40 -6.109 -3.045 -17.746 276 H SER 41 H SER 41 -5.985 -5.578 -13.916 277 HA SER 41 HA SER 41 -5.261 -6.735 -12.175 278 HB2 SER 41 1HB SER 41 -5.844 -8.870 -13.665 279 HB3 SER 41 2HB SER 41 -4.102 -8.984 -13.824 280 HG SER 41 HG SER 41 -5.661 -9.040 -11.390 281 H ARG 42 H ARG 42 -3.653 -5.576 -14.875 282 HA ARG 42 HA ARG 42 -1.319 -5.108 -13.346 283 HB2 ARG 42 1HB ARG 42 0.249 -6.064 -15.119 284 HB3 ARG 42 2HB ARG 42 -0.614 -7.271 -14.185 285 HG2 ARG 42 1HG ARG 42 -2.398 -6.854 -16.249 286 HG3 ARG 42 2HG ARG 42 -0.878 -6.562 -17.071 287 HD2 ARG 42 1HD ARG 42 -0.224 -8.836 -15.680 288 HD3 ARG 42 2HD ARG 42 -1.943 -9.102 -15.896 289 HE ARG 42 HE ARG 42 -0.676 -8.235 -18.369 290 HH11 ARG 42 2HH2 ARG 42 -1.229 -11.032 -16.305 291 HH12 ARG 42 1HH2 ARG 42 -1.058 -12.176 -17.594 292 HH21 ARG 42 2HH1 ARG 42 -0.449 -9.745 -20.069 293 HH22 ARG 42 1HH1 ARG 42 -0.611 -11.440 -19.749 294 H GLY 43 H GLY 43 -0.654 -3.038 -13.876 295 HA2 GLY 43 1HA GLY 43 -0.142 -1.937 -16.274 296 HA3 GLY 43 2HA GLY 43 -1.880 -1.742 -16.158 297 H MET 44 H MET 44 0.875 -0.056 -15.742 298 HA MET 44 HA MET 44 0.653 0.972 -13.168 299 HB2 MET 44 1HB MET 44 1.886 1.924 -15.790 300 HB3 MET 44 2HB MET 44 1.943 2.960 -14.378 301 HG2 MET 44 1HG MET 44 3.971 1.767 -14.200 302 HG3 MET 44 2HG MET 44 2.917 0.859 -13.134 303 HE1 MET 44 1HE MET 44 4.229 -0.125 -17.365 304 HE2 MET 44 2HE MET 44 2.523 0.378 -17.290 305 HE3 MET 44 3HE MET 44 3.797 1.459 -16.677 306 H HIS 45 H HIS 45 -1.094 1.625 -16.166 307 HA HIS 45 HA HIS 45 -2.070 4.160 -15.237 308 HB2 HIS 45 1HB HIS 45 -3.290 4.223 -17.324 309 HB3 HIS 45 2HB HIS 45 -1.620 3.776 -17.612 310 HD1 HIS 45 1HD HIS 45 -1.152 1.484 -18.669 311 HD2 HIS 45 2HD HIS 45 -5.187 2.079 -17.688 312 HE1 HIS 45 1HE HIS 45 -2.441 -0.434 -19.751 313 H ILE 46 H ILE 46 -2.759 0.855 -14.667 314 HA ILE 46 HA ILE 46 -5.586 1.096 -14.427 315 HB ILE 46 HB ILE 46 -3.732 -0.991 -13.277 316 HG12 ILE 46 1HG1 ILE 46 -3.510 -0.527 -15.787 317 HG13 ILE 46 2HG1 ILE 46 -3.804 -2.180 -15.283 318 HG21 ILE 46 1HG2 ILE 46 -6.046 -2.262 -13.917 319 HG22 ILE 46 2HG2 ILE 46 -5.656 -1.622 -12.302 320 HG23 ILE 46 3HG2 ILE 46 -6.662 -0.668 -13.418 321 HD11 ILE 46 1HD1 ILE 46 -6.085 -2.120 -15.955 322 HD12 ILE 46 2HD1 ILE 46 -6.116 -0.341 -15.990 323 HD13 ILE 46 3HD1 ILE 46 -5.231 -1.240 -17.245 324 H CYS 47 H CYS 47 -2.852 0.867 -12.043 325 HA CYS 47 HA CYS 47 -4.180 1.054 -9.742 326 HB2 CYS 47 1HB CYS 47 -1.658 2.592 -10.446 327 HB3 CYS 47 2HB CYS 47 -2.230 2.284 -8.819 328 HG CYS 47 HG CYS 47 -2.245 -0.322 -8.983 329 H GLU 48 H GLU 48 -3.278 3.823 -11.917 330 HA GLU 48 HA GLU 48 -4.531 5.736 -10.310 331 HB2 GLU 48 1HB GLU 48 -3.553 5.685 -13.179 332 HB3 GLU 48 2HB GLU 48 -4.408 7.084 -12.561 333 HG2 GLU 48 1HG GLU 48 -2.312 7.756 -11.906 334 HG3 GLU 48 2HG GLU 48 -2.627 6.727 -10.523 335 H ASP 49 H ASP 49 -5.515 4.197 -13.458 336 HA ASP 49 HA ASP 49 -7.826 5.360 -13.924 337 HB2 ASP 49 1HB ASP 49 -6.657 2.771 -14.455 338 HB3 ASP 49 2HB ASP 49 -8.356 2.527 -14.102 339 H ALA 50 H ALA 50 -7.044 3.166 -11.234 340 HA ALA 50 HA ALA 50 -9.649 2.463 -10.485 341 HB1 ALA 50 1HB ALA 50 -7.459 1.404 -9.769 342 HB2 ALA 50 2HB ALA 50 -7.219 2.797 -8.687 343 HB3 ALA 50 3HB ALA 50 -8.610 1.713 -8.447 344 H VAL 51 H VAL 51 -7.413 5.018 -9.173 345 HA VAL 51 HA VAL 51 -9.069 6.149 -7.360 346 HB VAL 51 HB VAL 51 -7.283 7.674 -9.262 347 HG11 VAL 51 1HG1 VAL 51 -6.988 9.234 -7.458 348 HG12 VAL 51 2HG1 VAL 51 -8.736 8.991 -7.692 349 HG13 VAL 51 3HG1 VAL 51 -7.899 8.195 -6.337 350 HG21 VAL 51 1HG2 VAL 51 -6.642 5.710 -7.113 351 HG22 VAL 51 2HG2 VAL 51 -5.750 6.123 -8.597 352 HG23 VAL 51 3HG2 VAL 51 -5.660 7.193 -7.178 353 H LYS 52 H LYS 52 -8.797 7.211 -10.832 354 HA LYS 52 HA LYS 52 -10.781 9.044 -10.858 355 HB2 LYS 52 1HB LYS 52 -10.007 7.044 -13.000 356 HB3 LYS 52 2HB LYS 52 -11.058 8.418 -13.280 357 HG2 LYS 52 1HG LYS 52 -9.304 9.866 -13.357 358 HG3 LYS 52 2HG LYS 52 -8.636 9.252 -11.858 359 HD2 LYS 52 1HD LYS 52 -7.122 7.927 -12.938 360 HD3 LYS 52 2HD LYS 52 -8.318 7.329 -14.071 361 HE2 LYS 52 1HE LYS 52 -8.029 9.960 -14.913 362 HE3 LYS 52 2HE LYS 52 -6.408 9.591 -14.360 363 HZ1 LYS 52 1HZ LYS 52 -7.705 8.692 -16.667 364 HZ2 LYS 52 2HZ LYS 52 -6.142 8.499 -16.235 365 HZ3 LYS 52 3HZ LYS 52 -7.258 7.400 -15.774 366 H ARG 53 H ARG 53 -11.075 5.501 -10.685 367 HA ARG 53 HA ARG 53 -13.761 5.396 -11.373 368 HB2 ARG 53 1HB ARG 53 -11.791 3.545 -10.829 369 HB3 ARG 53 2HB ARG 53 -12.752 3.411 -9.370 370 HG2 ARG 53 1HG ARG 53 -14.819 3.202 -10.916 371 HG3 ARG 53 2HG ARG 53 -13.690 3.015 -12.243 372 HD2 ARG 53 1HD ARG 53 -12.601 1.142 -10.709 373 HD3 ARG 53 2HD ARG 53 -14.143 1.171 -9.877 374 HE ARG 53 HE ARG 53 -13.631 0.128 -12.558 375 HH11 ARG 53 2HH2 ARG 53 -16.096 1.467 -10.433 376 HH12 ARG 53 1HH2 ARG 53 -17.412 0.733 -11.287 377 HH21 ARG 53 2HH1 ARG 53 -15.367 -0.841 -13.684 378 HH22 ARG 53 1HH1 ARG 53 -16.995 -0.588 -13.148 379 H LEU 54 H LEU 54 -12.126 5.249 -8.116 380 HA LEU 54 HA LEU 54 -14.532 5.392 -6.675 381 HB2 LEU 54 1HB LEU 54 -11.748 6.142 -5.777 382 HB3 LEU 54 2HB LEU 54 -13.112 5.746 -4.751 383 HG LEU 54 HG LEU 54 -12.114 3.730 -6.746 384 HD11 LEU 54 1HD1 LEU 54 -10.377 2.973 -5.418 385 HD12 LEU 54 2HD1 LEU 54 -10.222 4.740 -5.273 386 HD13 LEU 54 3HD1 LEU 54 -10.981 3.803 -3.964 387 HD21 LEU 54 1HD2 LEU 54 -13.875 3.768 -4.365 388 HD22 LEU 54 2HD2 LEU 54 -13.942 2.770 -5.838 389 HD23 LEU 54 3HD2 LEU 54 -12.808 2.353 -4.530 390 H LYS 55 H LYS 55 -12.769 7.730 -8.506 391 HA LYS 55 HA LYS 55 -13.650 9.973 -6.928 392 HB2 LYS 55 1HB LYS 55 -11.963 9.558 -9.364 393 HB3 LYS 55 2HB LYS 55 -12.705 11.128 -9.134 394 HG2 LYS 55 1HG LYS 55 -11.752 10.683 -6.599 395 HG3 LYS 55 2HG LYS 55 -10.570 9.783 -7.527 396 HD2 LYS 55 1HD LYS 55 -10.351 11.885 -9.024 397 HD3 LYS 55 2HD LYS 55 -11.280 12.734 -7.804 398 HE2 LYS 55 1HE LYS 55 -9.595 12.311 -6.100 399 HE3 LYS 55 2HE LYS 55 -8.746 11.175 -7.129 400 HZ1 LYS 55 1HZ LYS 55 -8.478 13.119 -8.685 401 HZ2 LYS 55 2HZ LYS 55 -8.940 14.076 -7.445 402 HZ3 LYS 55 3HZ LYS 55 -7.595 13.159 -7.311 403 H ALA 56 H ALA 56 -14.943 7.874 -9.352 404 HA ALA 56 HA ALA 56 -16.960 9.902 -10.031 405 HB1 ALA 56 1HB ALA 56 -16.533 9.287 -12.150 406 HB2 ALA 56 2HB ALA 56 -15.422 8.010 -11.599 407 HB3 ALA 56 3HB ALA 56 -17.161 7.667 -11.761 408 H THR 57 H THR 57 -16.297 7.254 -8.037 409 HA THR 57 HA THR 57 -18.868 5.976 -8.255 410 HB THR 57 HB THR 57 -16.345 5.213 -7.424 411 HG1 THR 57 1HG THR 57 -18.107 3.790 -7.948 412 HG21 THR 57 1HG2 THR 57 -18.098 5.651 -4.948 413 HG22 THR 57 2HG2 THR 57 -16.630 4.646 -4.991 414 HG23 THR 57 3HG2 THR 57 -16.513 6.404 -5.245 415 H GLY 58 H GLY 58 -17.600 8.801 -6.706 416 HA2 GLY 58 1HA GLY 58 -18.649 10.333 -5.427 417 HA3 GLY 58 2HA GLY 58 -20.141 9.431 -5.598 418 H LYS 59 H LYS 59 -16.886 8.906 -4.046 419 HA LYS 59 HA LYS 59 -18.348 8.149 -1.614 420 HB2 LYS 59 1HB LYS 59 -16.875 6.413 -3.216 421 HB3 LYS 59 2HB LYS 59 -15.756 6.835 -1.936 422 HG2 LYS 59 1HG LYS 59 -17.660 6.343 -0.269 423 HG3 LYS 59 2HG LYS 59 -18.561 5.679 -1.617 424 HD2 LYS 59 1HD LYS 59 -16.196 4.356 -1.970 425 HD3 LYS 59 2HD LYS 59 -16.131 4.595 -0.236 426 HE2 LYS 59 1HE LYS 59 -18.194 3.405 0.119 427 HE3 LYS 59 2HE LYS 59 -18.629 3.486 -1.576 428 HZ1 LYS 59 1HZ LYS 59 -17.153 1.530 -0.296 429 HZ2 LYS 59 2HZ LYS 59 -17.569 1.600 -1.874 430 HZ3 LYS 59 3HZ LYS 59 -16.156 2.247 -1.372 431 H LYS 60 H LYS 60 -15.751 7.759 -0.203 432 HA LYS 60 HA LYS 60 -14.460 10.327 -0.378 433 HB2 LYS 60 1HB LYS 60 -14.976 11.057 1.860 434 HB3 LYS 60 2HB LYS 60 -16.467 10.840 0.967 435 HG2 LYS 60 1HG LYS 60 -16.811 8.619 2.021 436 HG3 LYS 60 2HG LYS 60 -15.280 8.759 2.863 437 HD2 LYS 60 1HD LYS 60 -16.131 10.807 4.043 438 HD3 LYS 60 2HD LYS 60 -17.668 10.632 3.221 439 HE2 LYS 60 1HE LYS 60 -17.627 8.177 4.236 440 HE3 LYS 60 2HE LYS 60 -16.450 8.848 5.347 441 HZ1 LYS 60 1HZ LYS 60 -18.618 9.091 6.243 442 HZ2 LYS 60 2HZ LYS 60 -18.076 10.584 5.862 443 HZ3 LYS 60 3HZ LYS 60 -19.177 9.846 4.907 444 H ALA 61 H ALA 61 -12.823 10.384 1.689 445 HA ALA 61 HA ALA 61 -11.650 7.688 1.750 446 HB1 ALA 61 1HB ALA 61 -9.888 10.005 2.263 447 HB2 ALA 61 2HB ALA 61 -9.637 8.586 1.218 448 HB3 ALA 61 3HB ALA 61 -10.590 9.969 0.628 449 H VAL 62 H VAL 62 -10.776 6.948 3.748 450 HA VAL 62 HA VAL 62 -11.893 8.379 6.038 451 HB VAL 62 HB VAL 62 -11.071 5.537 5.498 452 HG11 VAL 62 1HG1 VAL 62 -11.718 6.715 8.223 453 HG12 VAL 62 2HG1 VAL 62 -11.454 4.994 7.853 454 HG13 VAL 62 3HG1 VAL 62 -10.116 6.156 7.686 455 HG21 VAL 62 1HG2 VAL 62 -13.406 6.542 4.993 456 HG22 VAL 62 2HG2 VAL 62 -13.315 4.998 5.873 457 HG23 VAL 62 3HG2 VAL 62 -13.634 6.509 6.758 458 H LYS 63 H LYS 63 -10.539 8.449 8.056 459 HA LYS 63 HA LYS 63 -7.795 9.087 7.287 460 HB2 LYS 63 1HB LYS 63 -9.599 9.976 9.535 461 HB3 LYS 63 2HB LYS 63 -7.864 10.203 9.623 462 HG2 LYS 63 1HG LYS 63 -8.834 11.033 6.999 463 HG3 LYS 63 2HG LYS 63 -9.759 11.836 8.252 464 HD2 LYS 63 1HD LYS 63 -7.880 13.263 7.864 465 HD3 LYS 63 2HD LYS 63 -7.516 12.435 9.365 466 HE2 LYS 63 1HE LYS 63 -6.321 10.663 7.791 467 HE3 LYS 63 2HE LYS 63 -6.335 11.960 6.613 468 HZ1 LYS 63 1HZ LYS 63 -5.334 12.404 9.325 469 HZ2 LYS 63 2HZ LYS 63 -4.369 11.798 8.155 470 HZ3 LYS 63 3HZ LYS 63 -5.035 13.278 7.978 471 H ALA 64 H ALA 64 -6.602 7.218 7.339 472 HA ALA 64 HA ALA 64 -6.396 5.957 9.953 473 HB1 ALA 64 1HB ALA 64 -7.719 4.779 7.640 474 HB2 ALA 64 2HB ALA 64 -6.300 3.820 8.124 475 HB3 ALA 64 3HB ALA 64 -7.587 4.162 9.304 476 H VAL 65 H VAL 65 -4.433 4.385 9.917 477 HA VAL 65 HA VAL 65 -2.349 5.712 8.342 478 HB VAL 65 HB VAL 65 -2.322 4.165 10.935 479 HG11 VAL 65 1HG1 VAL 65 -0.053 4.979 9.127 480 HG12 VAL 65 2HG1 VAL 65 0.178 4.906 10.891 481 HG13 VAL 65 3HG1 VAL 65 -0.316 3.448 9.997 482 HG21 VAL 65 1HG2 VAL 65 -1.257 6.948 10.518 483 HG22 VAL 65 2HG2 VAL 65 -3.005 6.682 10.723 484 HG23 VAL 65 3HG2 VAL 65 -1.872 6.177 12.000 485 H LEU 66 H LEU 66 -1.324 4.627 6.728 486 HA LEU 66 HA LEU 66 -2.125 1.864 6.320 487 HB2 LEU 66 1HB LEU 66 -2.422 3.153 4.409 488 HB3 LEU 66 2HB LEU 66 -0.911 4.015 4.622 489 HG LEU 66 HG LEU 66 0.366 2.058 3.956 490 HD11 LEU 66 1HD1 LEU 66 -1.423 0.458 4.941 491 HD12 LEU 66 2HD1 LEU 66 -2.153 0.546 3.320 492 HD13 LEU 66 3HD1 LEU 66 -0.488 -0.051 3.515 493 HD21 LEU 66 1HD2 LEU 66 -1.890 2.778 2.071 494 HD22 LEU 66 2HD2 LEU 66 -0.270 3.510 2.170 495 HD23 LEU 66 3HD2 LEU 66 -0.456 1.834 1.600 496 H TRP 67 H TRP 67 -0.930 0.271 7.201 497 HA TRP 67 HA TRP 67 1.865 0.851 7.808 498 HB2 TRP 67 1HB TRP 67 0.060 -1.419 8.665 499 HB3 TRP 67 2HB TRP 67 1.736 -1.226 9.141 500 HD1 TRP 67 HD TRP 67 -1.507 0.962 9.399 501 HE1 TRP 67 1HE TRP 67 -1.573 2.235 11.710 502 HE3 TRP 67 3HE TRP 67 2.986 -0.741 11.061 503 HZ2 TRP 67 2HZ TRP 67 0.222 2.383 13.924 504 HZ3 TRP 67 3HZ TRP 67 3.757 0.016 13.308 505 HH2 TRP 67 HH TRP 67 2.454 1.524 14.724 506 H VAL 68 H VAL 68 3.559 -0.582 7.051 507 HA VAL 68 HA VAL 68 2.746 -2.427 4.933 508 HB VAL 68 HB VAL 68 5.044 -0.508 4.606 509 HG11 VAL 68 1HG1 VAL 68 3.755 -2.630 2.989 510 HG12 VAL 68 2HG1 VAL 68 4.162 -1.135 2.112 511 HG13 VAL 68 3HG1 VAL 68 5.432 -2.032 2.979 512 HG21 VAL 68 1HG2 VAL 68 3.465 1.120 4.530 513 HG22 VAL 68 2HG2 VAL 68 3.206 0.485 2.887 514 HG23 VAL 68 3HG2 VAL 68 2.139 -0.025 4.218 515 H SER 69 H SER 69 3.659 -4.391 5.249 516 HA SER 69 HA SER 69 6.278 -4.456 6.460 517 HB2 SER 69 1HB SER 69 3.923 -6.056 7.559 518 HB3 SER 69 2HB SER 69 5.586 -6.203 8.093 519 HG SER 69 HG SER 69 4.924 -4.734 9.536 520 H ALA 70 H ALA 70 7.159 -6.829 6.372 521 HA ALA 70 HA ALA 70 7.023 -7.727 3.756 522 HB1 ALA 70 1HB ALA 70 7.762 -9.457 6.132 523 HB2 ALA 70 2HB ALA 70 8.459 -9.459 4.494 524 HB3 ALA 70 3HB ALA 70 8.792 -8.106 5.601 525 H ASP 71 H ASP 71 4.990 -8.393 6.580 526 HA ASP 71 HA ASP 71 3.897 -10.767 5.555 527 HB2 ASP 71 1HB ASP 71 3.225 -8.808 7.744 528 HB3 ASP 71 2HB ASP 71 1.964 -9.918 7.245 529 H GLY 72 H GLY 72 3.631 -7.452 4.697 530 HA2 GLY 72 1HA GLY 72 2.290 -7.208 2.600 531 HA3 GLY 72 2HA GLY 72 0.943 -7.843 3.524 532 H LEU 73 H LEU 73 -0.400 -6.019 3.515 533 HA LEU 73 HA LEU 73 0.747 -3.640 4.803 534 HB2 LEU 73 1HB LEU 73 -1.700 -3.428 3.137 535 HB3 LEU 73 2HB LEU 73 -0.415 -2.269 3.415 536 HG LEU 73 HG LEU 73 0.025 -4.753 1.754 537 HD11 LEU 73 1HD1 LEU 73 -0.790 -2.062 0.639 538 HD12 LEU 73 2HD1 LEU 73 -0.567 -3.597 -0.234 539 HD13 LEU 73 3HD1 LEU 73 -1.927 -3.407 0.898 540 HD21 LEU 73 1HD2 LEU 73 2.095 -3.995 1.528 541 HD22 LEU 73 2HD2 LEU 73 1.498 -2.425 0.938 542 HD23 LEU 73 3HD2 LEU 73 1.719 -2.694 2.683 543 H ARG 74 H ARG 74 -1.148 -2.284 5.870 544 HA ARG 74 HA ARG 74 -3.242 -3.915 6.878 545 HB2 ARG 74 1HB ARG 74 -0.869 -3.142 8.601 546 HB3 ARG 74 2HB ARG 74 -2.456 -3.235 9.338 547 HG2 ARG 74 1HG ARG 74 -2.351 -5.592 7.842 548 HG3 ARG 74 2HG ARG 74 -0.693 -5.416 8.382 549 HD2 ARG 74 1HD ARG 74 -1.476 -5.178 10.743 550 HD3 ARG 74 2HD ARG 74 -3.140 -5.321 10.214 551 HE ARG 74 HE ARG 74 -2.022 -7.605 9.177 552 HH11 ARG 74 2HH2 ARG 74 -1.943 -6.176 12.391 553 HH12 ARG 74 1HH2 ARG 74 -1.787 -7.698 13.203 554 HH21 ARG 74 2HH1 ARG 74 -1.816 -9.613 10.248 555 HH22 ARG 74 1HH1 ARG 74 -1.714 -9.666 11.976 556 H VAL 75 H VAL 75 -4.950 -2.495 6.735 557 HA VAL 75 HA VAL 75 -4.412 0.342 6.929 558 HB VAL 75 HB VAL 75 -6.915 -1.229 6.284 559 HG11 VAL 75 1HG1 VAL 75 -7.476 0.969 7.188 560 HG12 VAL 75 2HG1 VAL 75 -6.352 1.747 6.049 561 HG13 VAL 75 3HG1 VAL 75 -7.803 0.916 5.439 562 HG21 VAL 75 1HG2 VAL 75 -6.361 -0.178 3.953 563 HG22 VAL 75 2HG2 VAL 75 -4.709 -0.057 4.605 564 HG23 VAL 75 3HG2 VAL 75 -5.505 -1.645 4.487 565 H VAL 76 H VAL 76 -3.937 0.731 9.118 566 HA VAL 76 HA VAL 76 -5.719 -0.284 11.132 567 HB VAL 76 HB VAL 76 -3.202 1.327 11.030 568 HG11 VAL 76 1HG1 VAL 76 -5.205 1.320 13.277 569 HG12 VAL 76 2HG1 VAL 76 -3.463 1.408 13.631 570 HG13 VAL 76 3HG1 VAL 76 -4.232 2.662 12.628 571 HG21 VAL 76 1HG2 VAL 76 -3.477 -1.277 11.169 572 HG22 VAL 76 2HG2 VAL 76 -2.253 -0.456 12.167 573 HG23 VAL 76 3HG2 VAL 76 -3.799 -0.960 12.890 574 H ASP 77 H ASP 77 -6.977 1.086 12.591 575 HA ASP 77 HA ASP 77 -8.014 3.357 11.120 576 HB2 ASP 77 1HB ASP 77 -9.530 1.479 11.965 577 HB3 ASP 77 2HB ASP 77 -9.145 1.980 13.600 578 H GLU 78 H GLU 78 -6.854 5.216 11.727 579 HA GLU 78 HA GLU 78 -5.339 5.633 13.845 580 HB2 GLU 78 1HB GLU 78 -7.148 7.521 12.322 581 HB3 GLU 78 2HB GLU 78 -6.187 8.130 13.655 582 HG2 GLU 78 1HG GLU 78 -4.380 6.541 12.172 583 HG3 GLU 78 2HG GLU 78 -5.335 7.356 10.949 584 H LYS 79 H LYS 79 -8.879 5.505 13.832 585 HA LYS 79 HA LYS 79 -9.617 6.861 16.028 586 HB2 LYS 79 1HB LYS 79 -10.970 5.364 14.422 587 HB3 LYS 79 2HB LYS 79 -10.606 4.053 15.526 588 HG2 LYS 79 1HG LYS 79 -11.868 6.688 16.415 589 HG3 LYS 79 2HG LYS 79 -12.806 5.274 15.975 590 HD2 LYS 79 1HD LYS 79 -12.561 4.491 18.087 591 HD3 LYS 79 2HD LYS 79 -10.839 4.329 17.802 592 HE2 LYS 79 1HE LYS 79 -10.518 6.731 18.485 593 HE3 LYS 79 2HE LYS 79 -12.236 6.855 18.810 594 HZ1 LYS 79 1HZ LYS 79 -10.305 5.934 20.509 595 HZ2 LYS 79 2HZ LYS 79 -11.919 5.900 20.753 596 HZ3 LYS 79 3HZ LYS 79 -11.165 4.607 20.101 597 H THR 80 H THR 80 -8.921 3.310 16.302 598 HA THR 80 HA THR 80 -7.586 3.925 18.856 599 HB THR 80 HB THR 80 -9.989 2.916 18.940 600 HG1 THR 80 1HG THR 80 -9.054 2.316 20.851 601 HG21 THR 80 1HG2 THR 80 -9.977 0.406 18.757 602 HG22 THR 80 2HG2 THR 80 -9.739 1.183 17.174 603 HG23 THR 80 3HG2 THR 80 -8.349 0.487 18.042 604 H LYS 81 H LYS 81 -6.692 3.457 15.926 605 HA LYS 81 HA LYS 81 -4.908 2.554 14.984 606 HB2 LYS 81 1HB LYS 81 -4.337 2.061 17.861 607 HB3 LYS 81 2HB LYS 81 -3.420 1.109 16.712 608 HG2 LYS 81 1HG LYS 81 -3.680 4.151 16.608 609 HG3 LYS 81 2HG LYS 81 -2.318 3.300 17.308 610 HD2 LYS 81 1HD LYS 81 -2.129 2.100 14.985 611 HD3 LYS 81 2HD LYS 81 -3.186 3.368 14.395 612 HE2 LYS 81 1HE LYS 81 -0.948 4.149 13.997 613 HE3 LYS 81 2HE LYS 81 -1.533 5.070 15.368 614 HZ1 LYS 81 1HZ LYS 81 -0.123 4.034 16.745 615 HZ2 LYS 81 2HZ LYS 81 -0.210 2.589 15.989 616 HZ3 LYS 81 3HZ LYS 81 0.741 3.771 15.384 617 H ASP 82 H ASP 82 -7.593 1.028 15.943 618 HA ASP 82 HA ASP 82 -7.022 -1.644 15.943 619 HB2 ASP 82 1HB ASP 82 -9.252 -0.601 16.430 620 HB3 ASP 82 2HB ASP 82 -9.440 -0.222 14.730 621 H LEU 83 H LEU 83 -7.846 -3.179 14.008 622 HA LEU 83 HA LEU 83 -6.471 -2.236 11.613 623 HB2 LEU 83 1HB LEU 83 -5.685 -4.299 12.634 624 HB3 LEU 83 2HB LEU 83 -7.286 -5.001 12.516 625 HG LEU 83 HG LEU 83 -7.169 -5.023 10.095 626 HD11 LEU 83 1HD1 LEU 83 -4.766 -4.446 9.145 627 HD12 LEU 83 2HD1 LEU 83 -6.029 -3.204 9.317 628 HD13 LEU 83 3HD1 LEU 83 -4.742 -3.340 10.539 629 HD21 LEU 83 1HD2 LEU 83 -5.149 -6.538 9.814 630 HD22 LEU 83 2HD2 LEU 83 -4.786 -6.208 11.525 631 HD23 LEU 83 3HD2 LEU 83 -6.319 -6.993 11.076 632 H ILE 84 H ILE 84 -7.565 -1.647 9.812 633 HA ILE 84 HA ILE 84 -10.450 -1.988 9.872 634 HB ILE 84 HB ILE 84 -8.691 -0.399 8.000 635 HG12 ILE 84 1HG1 ILE 84 -10.320 0.644 10.328 636 HG13 ILE 84 2HG1 ILE 84 -8.615 0.257 10.454 637 HG21 ILE 84 1HG2 ILE 84 -10.574 0.472 7.026 638 HG22 ILE 84 2HG2 ILE 84 -11.120 -1.189 7.359 639 HG23 ILE 84 3HG2 ILE 84 -11.601 0.140 8.440 640 HD11 ILE 84 1HD1 ILE 84 -7.960 2.002 9.036 641 HD12 ILE 84 2HD1 ILE 84 -9.525 2.036 8.188 642 HD13 ILE 84 3HD1 ILE 84 -9.385 2.719 9.826 643 H VAL 85 H VAL 85 -7.585 -2.737 7.795 644 HA VAL 85 HA VAL 85 -9.112 -4.981 6.732 645 HB VAL 85 HB VAL 85 -7.821 -2.784 5.115 646 HG11 VAL 85 1HG1 VAL 85 -8.299 -4.194 3.113 647 HG12 VAL 85 2HG1 VAL 85 -7.036 -4.868 4.170 648 HG13 VAL 85 3HG1 VAL 85 -8.680 -5.549 4.202 649 HG21 VAL 85 1HG2 VAL 85 -10.171 -3.164 3.932 650 HG22 VAL 85 2HG2 VAL 85 -10.608 -3.791 5.540 651 HG23 VAL 85 3HG2 VAL 85 -10.005 -2.125 5.367 652 H ASP 86 H ASP 86 -7.648 -6.593 5.650 653 HA ASP 86 HA ASP 86 -4.944 -6.325 6.702 654 HB2 ASP 86 1HB ASP 86 -5.807 -7.978 8.122 655 HB3 ASP 86 2HB ASP 86 -6.930 -8.576 6.918 656 H GLN 87 H GLN 87 -3.572 -6.253 4.916 657 HA GLN 87 HA GLN 87 -4.358 -7.887 2.629 658 HB2 GLN 87 1HB GLN 87 -4.357 -5.271 2.435 659 HB3 GLN 87 2HB GLN 87 -2.611 -5.418 2.407 660 HG2 GLN 87 1HG GLN 87 -4.548 -6.781 0.477 661 HG3 GLN 87 2HG GLN 87 -3.534 -5.401 0.105 662 HE21 GLN 87 1HE2 GLN 87 -3.727 -8.238 -0.893 663 HE22 GLN 87 2HE2 GLN 87 -2.111 -8.859 -0.856 664 H THR 88 H THR 88 -2.788 -9.247 1.710 665 HA THR 88 HA THR 88 -0.253 -9.352 3.203 666 HB THR 88 HB THR 88 -1.498 -11.386 3.527 667 HG1 THR 88 1HG THR 88 0.096 -12.684 2.601 668 HG21 THR 88 1HG2 THR 88 -2.076 -11.154 0.538 669 HG22 THR 88 2HG2 THR 88 -2.218 -12.703 1.403 670 HG23 THR 88 3HG2 THR 88 -3.248 -11.327 1.867 671 H ILE 89 H ILE 89 1.704 -9.301 2.170 672 HA ILE 89 HA ILE 89 1.834 -7.965 -0.250 673 HB ILE 89 HB ILE 89 3.549 -8.444 1.711 674 HG12 ILE 89 1HG1 ILE 89 5.367 -7.666 0.125 675 HG13 ILE 89 2HG1 ILE 89 4.207 -7.824 -1.179 676 HG21 ILE 89 1HG2 ILE 89 3.664 -10.896 0.849 677 HG22 ILE 89 2HG2 ILE 89 4.746 -10.223 -0.394 678 HG23 ILE 89 3HG2 ILE 89 5.160 -10.060 1.330 679 HD11 ILE 89 1HD1 ILE 89 3.441 -6.250 1.290 680 HD12 ILE 89 2HD1 ILE 89 4.478 -5.504 0.052 681 HD13 ILE 89 3HD1 ILE 89 2.849 -6.077 -0.380 682 H GLU 90 H GLU 90 1.463 -11.399 0.508 683 HA GLU 90 HA GLU 90 2.419 -12.481 -1.816 684 HB2 GLU 90 1HB GLU 90 0.219 -13.314 0.099 685 HB3 GLU 90 2HB GLU 90 0.592 -14.290 -1.308 686 HG2 GLU 90 1HG GLU 90 2.533 -13.509 0.916 687 HG3 GLU 90 2HG GLU 90 1.868 -15.106 0.633 688 H LYS 91 H LYS 91 -1.103 -11.914 -1.074 689 HA LYS 91 HA LYS 91 -2.098 -12.341 -3.552 690 HB2 LYS 91 1HB LYS 91 -2.917 -10.711 -1.204 691 HB3 LYS 91 2HB LYS 91 -3.727 -10.351 -2.715 692 HG2 LYS 91 1HG LYS 91 -5.072 -12.132 -2.297 693 HG3 LYS 91 2HG LYS 91 -3.699 -13.154 -2.672 694 HD2 LYS 91 1HD LYS 91 -3.039 -13.276 -0.333 695 HD3 LYS 91 2HD LYS 91 -4.169 -12.015 0.117 696 HE2 LYS 91 1HE LYS 91 -5.877 -13.503 0.329 697 HE3 LYS 91 2HE LYS 91 -5.577 -14.174 -1.263 698 HZ1 LYS 91 1HZ LYS 91 -3.757 -14.856 0.898 699 HZ2 LYS 91 2HZ LYS 91 -5.214 -15.591 0.840 700 HZ3 LYS 91 3HZ LYS 91 -4.178 -15.732 -0.414 701 H VAL 92 H VAL 92 -0.891 -9.165 -2.268 702 HA VAL 92 HA VAL 92 -1.330 -7.552 -4.349 703 HB VAL 92 HB VAL 92 1.181 -7.817 -2.686 704 HG11 VAL 92 1HG1 VAL 92 2.052 -5.940 -3.587 705 HG12 VAL 92 2HG1 VAL 92 1.018 -6.342 -4.979 706 HG13 VAL 92 3HG1 VAL 92 0.461 -5.162 -3.767 707 HG21 VAL 92 1HG2 VAL 92 -0.662 -7.453 -1.245 708 HG22 VAL 92 2HG2 VAL 92 0.091 -5.855 -1.468 709 HG23 VAL 92 3HG2 VAL 92 -1.398 -6.269 -2.351 710 H SER 93 H SER 93 -1.346 -8.327 -6.443 711 HA SER 93 HA SER 93 0.805 -9.936 -7.359 712 HB2 SER 93 1HB SER 93 -1.233 -10.467 -8.394 713 HB3 SER 93 2HB SER 93 -1.717 -8.791 -8.552 714 HG SER 93 HG SER 93 -0.898 -10.089 -10.536 715 H PHE 94 H PHE 94 -0.391 -6.559 -7.915 716 HA PHE 94 HA PHE 94 2.323 -5.837 -8.680 717 HB2 PHE 94 1HB PHE 94 0.877 -6.356 -10.737 718 HB3 PHE 94 2HB PHE 94 -0.262 -5.139 -10.199 719 HD1 PHE 94 2HD PHE 94 3.427 -4.849 -10.053 720 HD2 PHE 94 1HD PHE 94 -0.137 -3.641 -12.015 721 HE1 PHE 94 2HE PHE 94 4.712 -3.093 -11.305 722 HE2 PHE 94 1HE PHE 94 1.148 -1.885 -13.267 723 HZ PHE 94 HZ PHE 94 3.557 -1.632 -12.897 724 H CYS 95 H CYS 95 2.776 -3.535 -8.436 725 HA CYS 95 HA CYS 95 0.688 -1.925 -7.282 726 HB2 CYS 95 1HB CYS 95 2.181 -1.353 -5.285 727 HB3 CYS 95 2HB CYS 95 1.319 -2.878 -5.231 728 HG CYS 95 HG CYS 95 3.495 -3.637 -4.336 729 H ALA 96 H ALA 96 0.922 -0.030 -8.416 730 HA ALA 96 HA ALA 96 3.669 0.853 -8.969 731 HB1 ALA 96 1HB ALA 96 3.222 1.149 -11.191 732 HB2 ALA 96 2HB ALA 96 2.028 -0.136 -10.892 733 HB3 ALA 96 3HB ALA 96 1.517 1.569 -10.902 734 HA PRO 97 HA PRO 97 2.329 4.604 -7.287 735 HB2 PRO 97 1HB PRO 97 3.945 6.423 -8.531 736 HB3 PRO 97 2HB PRO 97 4.476 5.430 -7.189 737 HG2 PRO 97 1HG PRO 97 5.116 5.159 -10.062 738 HG3 PRO 97 2HG PRO 97 5.947 4.468 -8.682 739 HD2 PRO 97 1HD PRO 97 4.172 3.104 -10.476 740 HD3 PRO 97 2HD PRO 97 4.911 2.445 -9.030 741 H ASP 98 H ASP 98 2.169 7.197 -8.273 742 HA ASP 98 HA ASP 98 0.171 6.773 -10.353 743 HB2 ASP 98 1HB ASP 98 -0.956 8.857 -9.290 744 HB3 ASP 98 2HB ASP 98 -1.132 7.326 -8.455 745 H ARG 99 H ARG 99 -0.392 9.318 -11.155 746 HA ARG 99 HA ARG 99 2.029 10.847 -11.224 747 HB2 ARG 99 1HB ARG 99 0.931 9.339 -13.586 748 HB3 ARG 99 2HB ARG 99 1.504 10.966 -13.896 749 HG2 ARG 99 1HG ARG 99 3.589 10.065 -12.392 750 HG3 ARG 99 2HG ARG 99 3.049 8.534 -13.051 751 HD2 ARG 99 1HD ARG 99 4.151 9.027 -14.974 752 HD3 ARG 99 2HD ARG 99 3.010 10.327 -15.254 753 HE ARG 99 HE ARG 99 4.690 11.843 -14.704 754 HH11 ARG 99 2HH2 ARG 99 5.446 8.750 -13.206 755 HH12 ARG 99 1HH2 ARG 99 6.971 9.281 -12.580 756 HH21 ARG 99 2HH1 ARG 99 6.702 12.545 -13.877 757 HH22 ARG 99 1HH1 ARG 99 7.690 11.454 -12.964 758 H ASN 100 H ASN 100 -1.343 10.343 -12.441 759 HA ASN 100 HA ASN 100 -1.847 12.917 -13.211 760 HB2 ASN 100 1HB ASN 100 -3.840 11.023 -11.861 761 HB3 ASN 100 2HB ASN 100 -4.235 12.321 -12.970 762 HD21 ASN 100 1HD2 ASN 100 -4.453 9.265 -12.917 763 HD22 ASN 100 2HD2 ASN 100 -3.889 8.753 -14.472 764 H PHE 101 H PHE 101 -2.234 11.251 -10.012 765 HA PHE 101 HA PHE 101 -3.058 13.750 -8.787 766 HB2 PHE 101 1HB PHE 101 -2.515 11.024 -7.496 767 HB3 PHE 101 2HB PHE 101 -3.603 12.268 -6.914 768 HD1 PHE 101 2HD PHE 101 -3.155 9.621 -9.426 769 HD2 PHE 101 1HD PHE 101 -5.840 12.454 -7.760 770 HE1 PHE 101 2HE PHE 101 -5.069 8.496 -10.598 771 HE2 PHE 101 1HE PHE 101 -7.754 11.329 -8.932 772 HZ PHE 101 HZ PHE 101 -7.345 9.364 -10.337 773 H ASP 102 H ASP 102 -2.046 13.894 -6.355 774 HA ASP 102 HA ASP 102 0.816 13.977 -6.853 775 HB2 ASP 102 1HB ASP 102 -1.114 15.754 -5.559 776 HB3 ASP 102 2HB ASP 102 0.177 15.358 -4.443 777 H ARG 103 H ARG 103 -1.796 12.649 -4.868 778 HA ARG 103 HA ARG 103 0.152 11.030 -3.508 779 HB2 ARG 103 1HB ARG 103 -1.151 11.419 -1.298 780 HB3 ARG 103 2HB ARG 103 -0.083 12.707 -1.818 781 HG2 ARG 103 1HG ARG 103 -2.303 13.555 -3.088 782 HG3 ARG 103 2HG ARG 103 -3.097 12.611 -1.843 783 HD2 ARG 103 1HD ARG 103 -2.683 14.203 -0.272 784 HD3 ARG 103 2HD ARG 103 -0.970 14.204 -0.642 785 HE ARG 103 HE ARG 103 -1.281 16.115 -1.955 786 HH11 ARG 103 2HH2 ARG 103 -4.393 14.549 -1.455 787 HH12 ARG 103 1HH2 ARG 103 -5.299 15.828 -2.194 788 HH21 ARG 103 2HH1 ARG 103 -2.476 17.802 -2.929 789 HH22 ARG 103 1HH1 ARG 103 -4.201 17.690 -3.038 790 H ALA 104 H ALA 104 -0.988 9.642 -5.244 791 HA ALA 104 HA ALA 104 -3.357 8.438 -4.017 792 HB1 ALA 104 1HB ALA 104 -3.667 10.098 -6.110 793 HB2 ALA 104 2HB ALA 104 -3.238 8.619 -7.002 794 HB3 ALA 104 3HB ALA 104 -4.645 8.624 -5.913 795 H PHE 105 H PHE 105 -2.408 6.556 -3.310 796 HA PHE 105 HA PHE 105 -0.806 5.111 -5.300 797 HB2 PHE 105 1HB PHE 105 0.537 5.529 -3.349 798 HB3 PHE 105 2HB PHE 105 -0.838 5.409 -2.269 799 HD1 PHE 105 2HD PHE 105 0.877 3.176 -4.735 800 HD2 PHE 105 1HD PHE 105 -0.799 3.599 -0.860 801 HE1 PHE 105 2HE PHE 105 1.498 0.802 -4.207 802 HE2 PHE 105 1HE PHE 105 -0.178 1.225 -0.332 803 HZ PHE 105 HZ PHE 105 0.964 -0.145 -2.012 804 H SER 106 H SER 106 -1.598 3.206 -6.078 805 HA SER 106 HA SER 106 -3.551 1.835 -4.430 806 HB2 SER 106 1HB SER 106 -4.093 1.864 -7.374 807 HB3 SER 106 2HB SER 106 -5.220 1.795 -6.034 808 HG SER 106 HG SER 106 -5.047 3.871 -7.370 809 H TYR 107 H TYR 107 -3.735 -0.497 -4.967 810 HA TYR 107 HA TYR 107 -1.682 -1.494 -6.786 811 HB2 TYR 107 1HB TYR 107 -0.847 -2.962 -4.955 812 HB3 TYR 107 2HB TYR 107 -0.784 -1.302 -4.397 813 HD1 TYR 107 2HD TYR 107 -3.086 -4.264 -4.367 814 HD2 TYR 107 1HD TYR 107 -1.696 -0.774 -2.320 815 HE1 TYR 107 2HE TYR 107 -4.492 -4.884 -2.342 816 HE2 TYR 107 1HE TYR 107 -3.107 -1.406 -0.301 817 HH TYR 107 HH TYR 107 -5.317 -2.816 -0.022 818 H ILE 108 H ILE 108 -2.033 -3.728 -7.443 819 HA ILE 108 HA ILE 108 -4.857 -4.382 -7.346 820 HB ILE 108 HB ILE 108 -2.595 -5.595 -8.938 821 HG12 ILE 108 1HG1 ILE 108 -4.563 -3.393 -9.600 822 HG13 ILE 108 2HG1 ILE 108 -2.813 -3.300 -9.580 823 HG21 ILE 108 1HG2 ILE 108 -4.519 -7.105 -8.594 824 HG22 ILE 108 2HG2 ILE 108 -5.591 -5.870 -9.297 825 HG23 ILE 108 3HG2 ILE 108 -4.320 -6.617 -10.293 826 HD11 ILE 108 1HD1 ILE 108 -3.585 -3.508 -11.897 827 HD12 ILE 108 2HD1 ILE 108 -2.724 -4.996 -11.437 828 HD13 ILE 108 3HD1 ILE 108 -4.503 -4.978 -11.491 829 H CYS 109 H CYS 109 -5.693 -6.374 -6.578 830 HA CYS 109 HA CYS 109 -3.860 -8.212 -5.345 831 HB2 CYS 109 1HB CYS 109 -3.939 -6.940 -3.416 832 HB3 CYS 109 2HB CYS 109 -5.563 -6.356 -3.720 833 HG CYS 109 HG CYS 109 -6.879 -8.267 -2.925 834 H ARG 110 H ARG 110 -4.807 -10.296 -5.271 835 HA ARG 110 HA ARG 110 -7.288 -10.473 -6.677 836 HB2 ARG 110 1HB ARG 110 -5.256 -11.976 -7.101 837 HB3 ARG 110 2HB ARG 110 -5.563 -12.733 -5.550 838 HG2 ARG 110 1HG ARG 110 -8.068 -12.709 -6.929 839 HG3 ARG 110 2HG ARG 110 -6.872 -13.213 -8.106 840 HD2 ARG 110 1HD ARG 110 -6.089 -15.017 -6.626 841 HD3 ARG 110 2HD ARG 110 -7.116 -14.452 -5.324 842 HE ARG 110 HE ARG 110 -8.738 -14.951 -7.641 843 HH11 ARG 110 2HH2 ARG 110 -6.912 -16.671 -5.174 844 HH12 ARG 110 1HH2 ARG 110 -7.891 -18.098 -5.263 845 HH21 ARG 110 2HH1 ARG 110 -10.030 -16.832 -7.759 846 HH22 ARG 110 1HH1 ARG 110 -9.676 -18.189 -6.743 847 H ASP 111 H ASP 111 -8.961 -9.849 -5.237 848 HA ASP 111 HA ASP 111 -9.107 -10.279 -2.601 849 HB2 ASP 111 1HB ASP 111 -10.760 -9.089 -4.194 850 HB3 ASP 111 2HB ASP 111 -11.489 -10.659 -4.467 851 H GLY 112 H GLY 112 -10.289 -11.947 -1.279 852 HA2 GLY 112 1HA GLY 112 -10.145 -14.617 -2.536 853 HA3 GLY 112 2HA GLY 112 -9.876 -14.268 -0.840 854 H THR 113 H THR 113 -11.811 -13.168 0.346 855 HA THR 113 HA THR 113 -13.948 -14.828 0.432 856 HB THR 113 HB THR 113 -15.071 -12.893 1.591 857 HG1 THR 113 1HG THR 113 -14.441 -10.956 0.729 858 HG21 THR 113 1HG2 THR 113 -13.649 -13.181 3.354 859 HG22 THR 113 2HG2 THR 113 -12.498 -13.980 2.256 860 HG23 THR 113 3HG2 THR 113 -12.400 -12.223 2.524 861 H THR 114 H THR 114 -13.476 -12.063 -1.796 862 HA THR 114 HA THR 114 -16.141 -12.342 -2.853 863 HB THR 114 HB THR 114 -13.709 -10.738 -3.805 864 HG1 THR 114 1HG THR 114 -15.056 -9.092 -2.546 865 HG21 THR 114 1HG2 THR 114 -15.897 -11.060 -5.304 866 HG22 THR 114 2HG2 THR 114 -16.622 -9.957 -4.110 867 HG23 THR 114 3HG2 THR 114 -15.217 -9.432 -5.069 868 H ARG 115 H ARG 115 -12.811 -13.325 -3.765 869 HA ARG 115 HA ARG 115 -12.219 -15.034 -5.002 870 HB2 ARG 115 1HB ARG 115 -15.047 -15.334 -6.110 871 HB3 ARG 115 2HB ARG 115 -13.780 -16.545 -6.093 872 HG2 ARG 115 1HG ARG 115 -14.252 -17.179 -3.949 873 HG3 ARG 115 2HG ARG 115 -14.370 -15.523 -3.388 874 HD2 ARG 115 1HD ARG 115 -16.607 -15.989 -3.184 875 HD3 ARG 115 2HD ARG 115 -16.656 -15.675 -4.907 876 HE ARG 115 HE ARG 115 -15.906 -18.416 -4.473 877 HH11 ARG 115 2HH2 ARG 115 -18.694 -16.280 -4.241 878 HH12 ARG 115 1HH2 ARG 115 -19.847 -17.548 -4.494 879 HH21 ARG 115 2HH1 ARG 115 -17.427 -20.089 -4.807 880 HH22 ARG 115 1HH1 ARG 115 -19.121 -19.729 -4.818 881 H ARG 116 H ARG 116 -11.934 -12.367 -5.794 882 HA ARG 116 HA ARG 116 -11.797 -12.716 -8.608 883 HB2 ARG 116 1HB ARG 116 -13.057 -10.644 -9.183 884 HB3 ARG 116 2HB ARG 116 -14.101 -11.817 -8.406 885 HG2 ARG 116 1HG ARG 116 -14.492 -10.451 -6.623 886 HG3 ARG 116 2HG ARG 116 -12.791 -10.074 -6.431 887 HD2 ARG 116 1HD ARG 116 -14.030 -8.019 -6.984 888 HD3 ARG 116 2HD ARG 116 -12.942 -8.416 -8.299 889 HE ARG 116 HE ARG 116 -14.801 -9.036 -9.660 890 HH11 ARG 116 2HH2 ARG 116 -15.813 -8.166 -6.404 891 HH12 ARG 116 1HH2 ARG 116 -17.487 -8.027 -6.824 892 HH21 ARG 116 2HH1 ARG 116 -17.010 -8.853 -10.215 893 HH22 ARG 116 1HH1 ARG 116 -18.173 -8.420 -9.006 894 H TRP 117 H TRP 117 -11.022 -10.270 -9.509 895 HA TRP 117 HA TRP 117 -8.708 -9.710 -7.843 896 HB2 TRP 117 1HB TRP 117 -9.236 -8.487 -10.530 897 HB3 TRP 117 2HB TRP 117 -7.707 -8.813 -9.736 898 HD1 TRP 117 HD TRP 117 -10.502 -10.697 -11.650 899 HE1 TRP 117 1HE TRP 117 -9.604 -12.978 -12.626 900 HE3 TRP 117 3HE TRP 117 -5.951 -10.476 -9.393 901 HZ2 TRP 117 2HZ TRP 117 -7.147 -14.403 -12.351 902 HZ3 TRP 117 3HZ TRP 117 -4.361 -12.353 -9.799 903 HH2 TRP 117 HH TRP 117 -4.897 -14.269 -11.220 904 H ILE 118 H ILE 118 -8.509 -7.843 -6.640 905 HA ILE 118 HA ILE 118 -10.457 -5.720 -7.176 906 HB ILE 118 HB ILE 118 -9.839 -7.062 -4.556 907 HG12 ILE 118 1HG1 ILE 118 -11.706 -7.879 -6.058 908 HG13 ILE 118 2HG1 ILE 118 -12.158 -7.460 -4.417 909 HG21 ILE 118 1HG2 ILE 118 -11.381 -5.141 -3.666 910 HG22 ILE 118 2HG2 ILE 118 -9.627 -4.887 -3.836 911 HG23 ILE 118 3HG2 ILE 118 -10.742 -4.250 -5.068 912 HD11 ILE 118 1HD1 ILE 118 -12.645 -5.872 -6.961 913 HD12 ILE 118 2HD1 ILE 118 -13.834 -6.443 -5.765 914 HD13 ILE 118 3HD1 ILE 118 -12.735 -5.103 -5.358 915 H CYS 119 H CYS 119 -9.699 -3.589 -6.789 916 HA CYS 119 HA CYS 119 -6.800 -3.487 -6.368 917 HB2 CYS 119 1HB CYS 119 -7.187 -2.864 -8.626 918 HB3 CYS 119 2HB CYS 119 -8.571 -1.872 -8.212 919 HG CYS 119 HG CYS 119 -7.373 -0.002 -6.993 920 H HIS 120 H HIS 120 -6.078 -2.097 -4.734 921 HA HIS 120 HA HIS 120 -8.198 -0.624 -3.350 922 HB2 HIS 120 1HB HIS 120 -5.649 -1.876 -2.297 923 HB3 HIS 120 2HB HIS 120 -6.672 -0.809 -1.355 924 HD1 HIS 120 1HD HIS 120 -8.671 -1.841 -0.190 925 HD2 HIS 120 2HD HIS 120 -6.980 -4.379 -3.071 926 HE1 HIS 120 1HE HIS 120 -9.835 -4.096 0.072 927 H CYS 121 H CYS 121 -8.008 1.576 -3.118 928 HA CYS 121 HA CYS 121 -5.513 2.718 -4.145 929 HB2 CYS 121 1HB CYS 121 -8.198 4.117 -4.107 930 HB3 CYS 121 2HB CYS 121 -6.743 4.594 -4.960 931 HG CYS 121 HG CYS 121 -6.715 2.897 -6.762 932 H PHE 122 H PHE 122 -4.650 4.574 -2.966 933 HA PHE 122 HA PHE 122 -5.935 5.154 -0.421 934 HB2 PHE 122 1HB PHE 122 -3.006 4.308 -0.851 935 HB3 PHE 122 2HB PHE 122 -3.679 4.807 0.689 936 HD1 PHE 122 1HD PHE 122 -3.976 2.206 -1.946 937 HD2 PHE 122 2HD PHE 122 -4.686 3.240 2.109 938 HE1 PHE 122 1HE PHE 122 -4.605 -0.172 -1.449 939 HE2 PHE 122 2HE PHE 122 -5.314 0.861 2.605 940 HZ PHE 122 HZ PHE 122 -5.266 -0.817 0.820 941 H MET 123 H MET 123 -5.999 7.332 -0.142 942 HA MET 123 HA MET 123 -4.238 8.900 -1.818 943 HB2 MET 123 1HB MET 123 -6.925 9.182 -0.590 944 HB3 MET 123 2HB MET 123 -5.956 10.627 -0.381 945 HG2 MET 123 1HG MET 123 -6.075 9.314 -3.111 946 HG3 MET 123 2HG MET 123 -7.421 10.304 -2.580 947 HE1 MET 123 1HE MET 123 -5.933 11.884 -5.172 948 HE2 MET 123 2HE MET 123 -4.190 11.663 -4.889 949 HE3 MET 123 3HE MET 123 -5.287 10.263 -4.824 950 H ALA 124 H ALA 124 -2.227 9.023 -0.806 951 HA ALA 124 HA ALA 124 -1.631 8.990 1.814 952 HB1 ALA 124 1HB ALA 124 -0.096 11.042 0.380 953 HB2 ALA 124 2HB ALA 124 0.432 9.473 1.034 954 HB3 ALA 124 3HB ALA 124 -0.321 9.558 -0.576 955 H VAL 125 H VAL 125 -1.075 10.716 3.396 956 HA VAL 125 HA VAL 125 -3.137 12.769 3.313 957 HB VAL 125 HB VAL 125 -1.363 11.630 5.471 958 HG11 VAL 125 1HG1 VAL 125 -2.414 14.277 5.355 959 HG12 VAL 125 2HG1 VAL 125 -3.362 13.370 6.558 960 HG13 VAL 125 3HG1 VAL 125 -1.591 13.468 6.710 961 HG21 VAL 125 1HG2 VAL 125 -4.311 11.744 5.763 962 HG22 VAL 125 2HG2 VAL 125 -3.703 10.672 4.478 963 HG23 VAL 125 3HG2 VAL 125 -3.163 10.442 6.159 964 H LYS 126 H LYS 126 0.377 12.542 4.241 965 HA LYS 126 HA LYS 126 0.742 15.113 2.890 966 HB2 LYS 126 1HB LYS 126 2.150 15.896 4.748 967 HB3 LYS 126 2HB LYS 126 0.485 15.650 5.236 968 HG2 LYS 126 1HG LYS 126 1.255 13.261 5.977 969 HG3 LYS 126 2HG LYS 126 2.888 13.882 5.831 970 HD2 LYS 126 1HD LYS 126 0.832 15.436 7.431 971 HD3 LYS 126 2HD LYS 126 1.617 14.044 8.151 972 HE2 LYS 126 1HE LYS 126 3.863 15.075 7.606 973 HE3 LYS 126 2HE LYS 126 3.034 16.491 6.990 974 HZ1 LYS 126 1HZ LYS 126 3.745 16.636 9.331 975 HZ2 LYS 126 2HZ LYS 126 2.150 16.913 9.118 976 HZ3 LYS 126 3HZ LYS 126 2.657 15.482 9.720 977 H ASP 127 H ASP 127 1.267 13.012 1.414 978 HA ASP 127 HA ASP 127 4.081 13.076 1.231 979 HB2 ASP 127 1HB ASP 127 2.927 10.290 1.535 980 HB3 ASP 127 2HB ASP 127 4.605 10.786 1.626 981 H THR 128 H THR 128 4.760 11.632 -0.764 982 HA THR 128 HA THR 128 2.585 11.773 -2.718 983 HB THR 128 HB THR 128 4.684 13.041 -3.166 984 HG1 THR 128 1HG THR 128 3.639 12.107 -5.002 985 HG21 THR 128 1HG2 THR 128 5.911 10.272 -2.812 986 HG22 THR 128 2HG2 THR 128 6.681 11.494 -3.852 987 HG23 THR 128 3HG2 THR 128 6.459 11.816 -2.115 988 H GLY 129 H GLY 129 1.979 10.048 -4.038 989 HA2 GLY 129 1HA GLY 129 1.754 7.575 -2.924 990 HA3 GLY 129 2HA GLY 129 1.716 7.894 -4.646 991 H GLU 130 H GLU 130 4.578 8.994 -4.553 992 HA GLU 130 HA GLU 130 5.863 6.750 -5.378 993 HB2 GLU 130 1HB GLU 130 6.538 9.515 -4.801 994 HB3 GLU 130 2HB GLU 130 7.849 8.479 -4.274 995 HG2 GLU 130 1HG GLU 130 8.429 8.796 -6.515 996 HG3 GLU 130 2HG GLU 130 7.519 7.302 -6.627 997 H ARG 131 H ARG 131 6.380 8.431 -2.185 998 HA ARG 131 HA ARG 131 8.036 6.628 -1.089 999 HB2 ARG 131 1HB ARG 131 5.943 8.494 0.018 1000 HB3 ARG 131 2HB ARG 131 6.634 7.330 1.132 1001 HG2 ARG 131 1HG ARG 131 8.302 8.866 1.403 1002 HG3 ARG 131 2HG ARG 131 8.913 8.254 -0.121 1003 HD2 ARG 131 1HD ARG 131 8.647 10.335 -0.992 1004 HD3 ARG 131 2HD ARG 131 6.913 10.118 -0.864 1005 HE ARG 131 HE ARG 131 7.592 10.874 1.695 1006 HH11 ARG 131 2HH2 ARG 131 8.298 12.244 -1.469 1007 HH12 ARG 131 1HH2 ARG 131 8.393 13.872 -0.884 1008 HH21 ARG 131 2HH1 ARG 131 7.718 13.021 2.467 1009 HH22 ARG 131 1HH1 ARG 131 8.061 14.317 1.370 1010 H LEU 132 H LEU 132 4.418 6.561 -1.160 1011 HA LEU 132 HA LEU 132 4.085 4.324 0.459 1012 HB2 LEU 132 1HB LEU 132 2.402 5.462 -1.774 1013 HB3 LEU 132 2HB LEU 132 1.880 4.151 -0.733 1014 HG LEU 132 HG LEU 132 2.358 5.792 1.223 1015 HD11 LEU 132 1HD1 LEU 132 3.393 7.659 0.479 1016 HD12 LEU 132 2HD1 LEU 132 2.684 7.545 -1.149 1017 HD13 LEU 132 3HD1 LEU 132 1.719 8.195 0.198 1018 HD21 LEU 132 1HD2 LEU 132 0.066 5.367 -0.485 1019 HD22 LEU 132 2HD2 LEU 132 0.149 5.584 1.280 1020 HD23 LEU 132 3HD2 LEU 132 0.040 7.005 0.212 1021 H SER 133 H SER 133 4.285 4.591 -3.158 1022 HA SER 133 HA SER 133 4.111 1.866 -3.581 1023 HB2 SER 133 1HB SER 133 4.411 2.400 -5.803 1024 HB3 SER 133 2HB SER 133 4.064 4.008 -5.199 1025 HG SER 133 HG SER 133 6.355 3.068 -6.373 1026 H HIS 134 H HIS 134 6.714 3.897 -2.407 1027 HA HIS 134 HA HIS 134 8.803 2.117 -3.194 1028 HB2 HIS 134 1HB HIS 134 9.985 3.960 -2.854 1029 HB3 HIS 134 2HB HIS 134 8.574 4.773 -2.205 1030 HD1 HIS 134 1HD HIS 134 11.319 2.402 -0.950 1031 HD2 HIS 134 2HD HIS 134 8.847 5.504 0.415 1032 HE1 HIS 134 1HE HIS 134 12.043 2.890 1.448 1033 H ALA 135 H ALA 135 6.580 2.510 -0.473 1034 HA ALA 135 HA ALA 135 8.145 0.870 1.290 1035 HB1 ALA 135 1HB ALA 135 6.791 2.587 2.271 1036 HB2 ALA 135 2HB ALA 135 5.348 2.055 1.376 1037 HB3 ALA 135 3HB ALA 135 6.013 1.038 2.677 1038 H VAL 136 H VAL 136 5.011 0.534 -0.523 1039 HA VAL 136 HA VAL 136 4.566 -2.114 0.161 1040 HB VAL 136 HB VAL 136 2.930 -0.571 -0.822 1041 HG11 VAL 136 1HG1 VAL 136 3.027 0.302 -2.935 1042 HG12 VAL 136 2HG1 VAL 136 4.771 0.164 -2.610 1043 HG13 VAL 136 3HG1 VAL 136 3.947 -1.076 -3.586 1044 HG21 VAL 136 1HG2 VAL 136 2.082 -2.693 -0.968 1045 HG22 VAL 136 2HG2 VAL 136 2.162 -2.298 -2.702 1046 HG23 VAL 136 3HG2 VAL 136 3.438 -3.290 -1.955 1047 H GLY 137 H GLY 137 6.636 -0.618 -2.342 1048 HA2 GLY 137 1HA GLY 137 7.196 -3.123 -3.651 1049 HA3 GLY 137 2HA GLY 137 7.935 -1.563 -3.953 1050 H CYS 138 H CYS 138 8.160 -1.688 -0.690 1051 HA CYS 138 HA CYS 138 10.874 -2.654 -0.839 1052 HB2 CYS 138 1HB CYS 138 9.317 -0.920 1.003 1053 HB3 CYS 138 2HB CYS 138 10.566 -1.894 1.751 1054 HG CYS 138 HG CYS 138 11.093 0.750 0.845 1055 H ALA 139 H ALA 139 7.835 -3.225 1.080 1056 HA ALA 139 HA ALA 139 8.774 -5.375 2.554 1057 HB1 ALA 139 1HB ALA 139 6.163 -5.926 2.425 1058 HB2 ALA 139 2HB ALA 139 6.774 -4.524 3.336 1059 HB3 ALA 139 3HB ALA 139 6.104 -4.300 1.703 1060 H PHE 140 H PHE 140 7.393 -5.173 -0.757 1061 HA PHE 140 HA PHE 140 6.982 -7.869 -1.179 1062 HB2 PHE 140 1HB PHE 140 6.807 -5.450 -2.560 1063 HB3 PHE 140 2HB PHE 140 8.163 -6.193 -3.385 1064 HD1 PHE 140 1HD PHE 140 4.583 -6.547 -2.601 1065 HD2 PHE 140 2HD PHE 140 7.846 -8.047 -4.862 1066 HE1 PHE 140 1HE PHE 140 2.993 -7.888 -4.007 1067 HE2 PHE 140 2HE PHE 140 6.256 -9.388 -6.267 1068 HZ PHE 140 HZ PHE 140 3.849 -9.292 -5.823 1069 H ALA 141 H ALA 141 9.923 -5.856 -1.895 1070 HA ALA 141 HA ALA 141 11.446 -7.919 -2.952 1071 HB1 ALA 141 1HB ALA 141 12.087 -5.619 -3.240 1072 HB2 ALA 141 2HB ALA 141 12.172 -5.359 -1.481 1073 HB3 ALA 141 3HB ALA 141 13.369 -6.402 -2.286 1074 H ALA 142 H ALA 142 10.704 -6.979 0.410 1075 HA ALA 142 HA ALA 142 12.737 -8.560 1.583 1076 HB1 ALA 142 1HB ALA 142 10.114 -7.753 2.870 1077 HB2 ALA 142 2HB ALA 142 11.710 -7.956 3.631 1078 HB3 ALA 142 3HB ALA 142 11.407 -6.571 2.555 1079 H CYS 143 H CYS 143 9.132 -9.025 1.354 1080 HA CYS 143 HA CYS 143 9.079 -11.569 2.343 1081 HB2 CYS 143 1HB CYS 143 7.099 -10.113 1.866 1082 HB3 CYS 143 2HB CYS 143 7.274 -10.475 0.161 1083 HG CYS 143 HG CYS 143 6.376 -12.693 0.107 1084 H LEU 144 H LEU 144 9.669 -10.366 -1.013 1085 HA LEU 144 HA LEU 144 9.798 -12.946 -2.161 1086 HB2 LEU 144 1HB LEU 144 10.478 -10.161 -3.006 1087 HB3 LEU 144 2HB LEU 144 11.079 -11.505 -3.955 1088 HG LEU 144 HG LEU 144 8.178 -10.865 -3.365 1089 HD11 LEU 144 1HD1 LEU 144 9.394 -9.433 -5.043 1090 HD12 LEU 144 2HD1 LEU 144 9.604 -10.898 -6.032 1091 HD13 LEU 144 3HD1 LEU 144 7.969 -10.300 -5.664 1092 HD21 LEU 144 1HD2 LEU 144 9.404 -13.379 -4.062 1093 HD22 LEU 144 2HD2 LEU 144 7.699 -13.001 -3.721 1094 HD23 LEU 144 3HD2 LEU 144 8.336 -12.826 -5.374 1095 H GLU 145 H GLU 145 12.151 -10.725 -0.629 1096 HA GLU 145 HA GLU 145 14.473 -11.790 -1.467 1097 HB2 GLU 145 1HB GLU 145 13.585 -10.128 0.681 1098 HB3 GLU 145 2HB GLU 145 14.648 -11.326 1.392 1099 HG2 GLU 145 1HG GLU 145 15.997 -10.602 -0.959 1100 HG3 GLU 145 2HG GLU 145 15.297 -9.087 -0.422 1101 H ARG 146 H ARG 146 12.034 -13.270 0.599 1102 HA ARG 146 HA ARG 146 13.847 -15.235 1.588 1103 HB2 ARG 146 1HB ARG 146 10.837 -14.807 1.804 1104 HB3 ARG 146 2HB ARG 146 11.584 -16.268 2.419 1105 HG2 ARG 146 1HG ARG 146 11.861 -15.060 4.342 1106 HG3 ARG 146 2HG ARG 146 13.249 -14.378 3.518 1107 HD2 ARG 146 1HD ARG 146 12.217 -12.340 3.163 1108 HD3 ARG 146 2HD ARG 146 10.647 -13.062 2.870 1109 HE ARG 146 HE ARG 146 10.135 -12.695 5.111 1110 HH11 ARG 146 2HH2 ARG 146 13.633 -12.908 4.793 1111 HH12 ARG 146 1HH2 ARG 146 13.935 -12.561 6.463 1112 HH21 ARG 146 2HH1 ARG 146 10.532 -12.237 7.315 1113 HH22 ARG 146 1HH1 ARG 146 12.159 -12.177 7.907 1114 H LYS 147 H LYS 147 11.467 -14.826 -1.032 1115 HA LYS 147 HA LYS 147 11.493 -17.642 -1.672 1116 HB2 LYS 147 1HB LYS 147 10.237 -15.398 -3.264 1117 HB3 LYS 147 2HB LYS 147 9.841 -17.104 -3.303 1118 HG2 LYS 147 1HG LYS 147 8.872 -17.045 -1.098 1119 HG3 LYS 147 2HG LYS 147 9.586 -15.485 -0.738 1120 HD2 LYS 147 1HD LYS 147 7.124 -15.366 -1.294 1121 HD3 LYS 147 2HD LYS 147 8.123 -14.352 -2.316 1122 HE2 LYS 147 1HE LYS 147 7.572 -15.517 -4.200 1123 HE3 LYS 147 2HE LYS 147 7.852 -17.065 -3.427 1124 HZ1 LYS 147 1HZ LYS 147 5.577 -16.898 -3.940 1125 HZ2 LYS 147 2HZ LYS 147 5.684 -16.748 -2.317 1126 HZ3 LYS 147 3HZ LYS 147 5.424 -15.428 -3.243 1127 H GLN 148 H GLN 148 12.439 -14.541 -3.321 1128 HA GLN 148 HA GLN 148 14.330 -16.166 -4.835 1129 HB2 GLN 148 1HB GLN 148 14.249 -14.186 -6.478 1130 HB3 GLN 148 2HB GLN 148 12.821 -15.198 -6.396 1131 HG2 GLN 148 1HG GLN 148 11.524 -13.535 -5.475 1132 HG3 GLN 148 2HG GLN 148 12.819 -12.944 -4.453 1133 HE21 GLN 148 1HE2 GLN 148 13.267 -10.929 -4.867 1134 HE22 GLN 148 2HE2 GLN 148 13.367 -10.166 -6.419 1135 H LYS 149 H LYS 149 16.101 -14.301 -5.786 1136 HA LYS 149 HA LYS 149 17.207 -13.203 -3.300 1137 HB2 LYS 149 1HB LYS 149 19.377 -13.561 -4.195 1138 HB3 LYS 149 2HB LYS 149 18.475 -15.041 -4.450 1139 HG2 LYS 149 1HG LYS 149 19.385 -14.782 -6.573 1140 HG3 LYS 149 2HG LYS 149 17.882 -13.911 -6.800 1141 HD2 LYS 149 1HD LYS 149 18.963 -11.932 -7.110 1142 HD3 LYS 149 2HD LYS 149 19.934 -12.150 -5.668 1143 HE2 LYS 149 1HE LYS 149 21.678 -13.209 -6.822 1144 HE3 LYS 149 2HE LYS 149 20.620 -13.837 -8.070 1145 HZ1 LYS 149 1HZ LYS 149 21.098 -10.963 -7.795 1146 HZ2 LYS 149 2HZ LYS 149 22.099 -11.914 -8.667 1147 HZ3 LYS 149 3HZ LYS 149 20.529 -11.774 -9.094 1148 H ARG 150 H ARG 150 17.795 -11.040 -3.182 1149 HA ARG 150 HA ARG 150 16.516 -9.388 -5.075 1150 HB2 ARG 150 1HB ARG 150 17.038 -9.067 -2.460 1151 HB3 ARG 150 2HB ARG 150 18.507 -8.321 -3.058 1152 HG2 ARG 150 1HG ARG 150 17.172 -6.739 -4.435 1153 HG3 ARG 150 2HG ARG 150 15.688 -7.512 -3.916 1154 HD2 ARG 150 1HD ARG 150 15.663 -6.364 -1.945 1155 HD3 ARG 150 2HD ARG 150 17.336 -6.759 -1.605 1156 HE ARG 150 HE ARG 150 17.000 -4.724 -3.698 1157 HH11 ARG 150 2HH2 ARG 150 17.363 -5.309 -0.248 1158 HH12 ARG 150 1HH2 ARG 150 17.949 -3.715 0.091 1159 HH21 ARG 150 2HH1 ARG 150 17.774 -2.621 -3.252 1160 HH22 ARG 150 1HH1 ARG 150 18.185 -2.176 -1.630 1161 H SER 151 H SER 151 17.701 -7.496 -6.169 1162 HA SER 151 HA SER 151 20.353 -8.402 -6.982 1163 HB2 SER 151 1HB SER 151 18.083 -8.078 -8.584 1164 HB3 SER 151 2HB SER 151 18.966 -6.589 -8.855 1165 HG SER 151 HG SER 151 19.779 -8.036 -10.355 1166 H GLY 152 H GLY 152 21.823 -6.556 -7.731 1167 HA2 GLY 152 1HA GLY 152 22.118 -4.628 -5.768 1168 HA3 GLY 152 2HA GLY 152 22.841 -4.588 -7.363 1169 HA PRO 153 HA PRO 153 19.304 -1.522 -6.912 1170 HB2 PRO 153 1HB PRO 153 20.354 0.598 -5.545 1171 HB3 PRO 153 2HB PRO 153 19.339 -0.617 -4.795 1172 HG2 PRO 153 1HG PRO 153 22.266 -0.261 -4.586 1173 HG3 PRO 153 2HG PRO 153 21.194 -1.172 -3.541 1174 HD2 PRO 153 1HD PRO 153 22.964 -2.236 -5.532 1175 HD3 PRO 153 2HD PRO 153 21.809 -3.135 -4.568 1176 H SER 154 H SER 154 19.197 0.869 -7.730 1177 HA SER 154 HA SER 154 21.429 1.114 -9.588 1178 HB2 SER 154 1HB SER 154 18.822 0.429 -10.308 1179 HB3 SER 154 2HB SER 154 18.847 2.161 -10.578 1180 HG SER 154 HG SER 154 19.708 1.540 -12.462 1181 H SER 155 H SER 155 18.474 2.842 -8.333 1182 HA SER 155 HA SER 155 19.965 4.868 -7.169 1183 HB2 SER 155 1HB SER 155 20.470 5.587 -9.459 1184 HB3 SER 155 2HB SER 155 18.773 5.544 -9.892 1185 HG SER 155 HG SER 155 18.814 7.132 -7.788 1186 H GLY 156 H GLY 156 18.589 5.095 -5.438 1187 HA2 GLY 156 1HA GLY 156 15.691 5.202 -6.002 1188 HA3 GLY 156 2HA GLY 156 16.423 4.645 -4.511 Start of MODEL 12 1 H1 GLY 1 H GLY 1 19.328 -12.947 -11.124 2 HA2 GLY 1 1HA GLY 1 21.555 -12.668 -10.980 3 HA3 GLY 1 2HA GLY 1 21.454 -11.499 -12.281 4 H SER 2 H SER 2 22.456 -9.631 -11.666 5 HA SER 2 HA SER 2 21.417 -8.230 -9.445 6 HB2 SER 2 1HB SER 2 23.273 -9.949 -8.591 7 HB3 SER 2 2HB SER 2 24.383 -8.740 -9.204 8 HG SER 2 HG SER 2 22.301 -8.328 -7.231 9 H SER 3 H SER 3 22.383 -5.988 -9.327 10 HA SER 3 HA SER 3 23.894 -5.353 -11.729 11 HB2 SER 3 1HB SER 3 21.163 -4.515 -11.058 12 HB3 SER 3 2HB SER 3 22.214 -3.131 -11.279 13 HG SER 3 HG SER 3 22.812 -3.947 -13.371 14 H GLY 4 H GLY 4 22.458 -3.902 -8.708 15 HA2 GLY 4 1HA GLY 4 25.005 -3.272 -7.611 16 HA3 GLY 4 2HA GLY 4 24.282 -1.857 -8.350 17 H SER 5 H SER 5 24.755 -2.965 -5.420 18 HA SER 5 HA SER 5 22.225 -1.949 -4.493 19 HB2 SER 5 1HB SER 5 22.033 -3.832 -2.811 20 HB3 SER 5 2HB SER 5 21.738 -4.310 -4.471 21 HG SER 5 HG SER 5 23.607 -5.269 -2.737 22 H SER 6 H SER 6 22.345 -1.484 -2.048 23 HA SER 6 HA SER 6 23.332 -0.624 -0.316 24 HB2 SER 6 1HB SER 6 25.069 -2.778 -1.029 25 HB3 SER 6 2HB SER 6 26.106 -1.428 -0.615 26 HG SER 6 HG SER 6 25.658 -1.778 1.440 27 H GLY 7 H GLY 7 24.575 1.288 0.281 28 HA2 GLY 7 1HA GLY 7 26.218 2.914 -0.190 29 HA3 GLY 7 2HA GLY 7 26.141 2.506 -1.893 30 H ALA 8 H ALA 8 25.965 5.170 -1.223 31 HA ALA 8 HA ALA 8 24.749 6.956 -1.733 32 HB1 ALA 8 1HB ALA 8 23.642 5.074 -3.333 33 HB2 ALA 8 2HB ALA 8 22.232 5.465 -2.320 34 HB3 ALA 8 3HB ALA 8 23.044 6.748 -3.247 35 H SER 9 H SER 9 24.211 8.245 -0.051 36 HA SER 9 HA SER 9 22.684 7.048 2.082 37 HB2 SER 9 1HB SER 9 24.530 9.386 1.792 38 HB3 SER 9 2HB SER 9 23.253 9.561 2.980 39 HG SER 9 HG SER 9 24.655 8.506 4.232 40 H ARG 10 H ARG 10 20.517 7.466 2.389 41 HA ARG 10 HA ARG 10 19.446 9.685 0.838 42 HB2 ARG 10 1HB ARG 10 18.148 7.050 1.689 43 HB3 ARG 10 2HB ARG 10 17.250 8.366 0.961 44 HG2 ARG 10 1HG ARG 10 19.676 7.053 -0.349 45 HG3 ARG 10 2HG ARG 10 18.023 6.572 -0.673 46 HD2 ARG 10 1HD ARG 10 17.863 8.225 -2.219 47 HD3 ARG 10 2HD ARG 10 18.074 9.416 -0.951 48 HE ARG 10 HE ARG 10 20.654 8.401 -1.572 49 HH11 ARG 10 2HH2 ARG 10 18.106 10.256 -3.137 50 HH12 ARG 10 1HH2 ARG 10 19.193 11.112 -4.179 51 HH21 ARG 10 2HH1 ARG 10 22.089 9.530 -2.946 52 HH22 ARG 10 1HH1 ARG 10 21.474 10.696 -4.069 53 HA PRO 11 HA PRO 11 17.972 11.313 4.605 54 HB2 PRO 11 1HB PRO 11 15.839 12.813 3.790 55 HB3 PRO 11 2HB PRO 11 17.500 13.351 3.644 56 HG2 PRO 11 1HG PRO 11 15.680 12.360 1.535 57 HG3 PRO 11 2HG PRO 11 17.159 13.284 1.364 58 HD2 PRO 11 1HD PRO 11 16.826 10.474 0.891 59 HD3 PRO 11 2HD PRO 11 18.327 11.377 0.832 60 H HIS 12 H HIS 12 15.803 11.791 5.923 61 HA HIS 12 HA HIS 12 14.736 9.152 6.215 62 HB2 HIS 12 1HB HIS 12 13.871 11.646 7.686 63 HB3 HIS 12 2HB HIS 12 13.712 9.978 8.201 64 HD1 HIS 12 1HD HIS 12 16.650 9.020 7.650 65 HD2 HIS 12 2HD HIS 12 15.610 12.582 9.606 66 HE1 HIS 12 1HE HIS 12 18.659 9.659 9.088 67 H GLN 13 H GLN 13 12.857 8.367 5.374 68 HA GLN 13 HA GLN 13 10.520 9.540 5.105 69 HB2 GLN 13 1HB GLN 13 12.345 10.718 3.122 70 HB3 GLN 13 2HB GLN 13 10.930 10.014 2.365 71 HG2 GLN 13 1HG GLN 13 9.423 11.387 3.627 72 HG3 GLN 13 2HG GLN 13 10.654 11.813 4.800 73 HE21 GLN 13 1HE2 GLN 13 9.316 13.833 3.823 74 HE22 GLN 13 2HE2 GLN 13 10.210 14.760 2.665 75 H TRP 14 H TRP 14 12.735 8.066 2.613 76 HA TRP 14 HA TRP 14 10.729 6.036 2.098 77 HB2 TRP 14 1HB TRP 14 13.443 6.396 0.824 78 HB3 TRP 14 2HB TRP 14 12.124 5.395 0.251 79 HD1 TRP 14 HD TRP 14 12.252 9.205 1.183 80 HE1 TRP 14 1HE TRP 14 11.154 10.652 -0.731 81 HE3 TRP 14 3HE TRP 14 11.167 5.290 -1.874 82 HZ2 TRP 14 2HZ TRP 14 9.981 10.011 -3.253 83 HZ3 TRP 14 3HZ TRP 14 10.045 5.787 -4.044 84 HH2 TRP 14 HH TRP 14 9.455 8.051 -4.750 85 H GLN 15 H GLN 15 14.297 6.130 2.845 86 HA GLN 15 HA GLN 15 14.608 3.524 3.439 87 HB2 GLN 15 1HB GLN 15 16.553 4.876 3.349 88 HB3 GLN 15 2HB GLN 15 15.931 6.027 4.515 89 HG2 GLN 15 1HG GLN 15 16.679 4.808 6.297 90 HG3 GLN 15 2HG GLN 15 16.094 3.298 5.628 91 HE21 GLN 15 1HE2 GLN 15 17.375 2.080 4.253 92 HE22 GLN 15 2HE2 GLN 15 19.088 2.297 4.113 93 H THR 16 H THR 16 13.616 6.171 5.713 94 HA THR 16 HA THR 16 13.471 4.678 8.026 95 HB THR 16 HB THR 16 13.274 7.154 7.880 96 HG1 THR 16 1HG THR 16 11.917 7.002 9.647 97 HG21 THR 16 1HG2 THR 16 11.555 6.859 5.806 98 HG22 THR 16 2HG2 THR 16 10.365 6.887 7.129 99 HG23 THR 16 3HG2 THR 16 11.467 8.265 6.894 100 H ASP 17 H ASP 17 11.468 4.496 5.159 101 HA ASP 17 HA ASP 17 9.424 3.104 6.643 102 HB2 ASP 17 1HB ASP 17 9.686 4.382 3.969 103 HB3 ASP 17 2HB ASP 17 8.760 2.895 3.952 104 H GLU 18 H GLU 18 12.271 2.602 4.642 105 HA GLU 18 HA GLU 18 11.559 0.065 3.656 106 HB2 GLU 18 1HB GLU 18 13.298 1.614 2.664 107 HB3 GLU 18 2HB GLU 18 14.345 1.250 4.021 108 HG2 GLU 18 1HG GLU 18 14.772 -0.922 3.302 109 HG3 GLU 18 2HG GLU 18 13.196 -1.107 2.559 110 H GLU 19 H GLU 19 12.712 1.274 6.725 111 HA GLU 19 HA GLU 19 13.703 -1.331 7.478 112 HB2 GLU 19 1HB GLU 19 14.716 -0.276 9.323 113 HB3 GLU 19 2HB GLU 19 14.813 0.949 8.074 114 HG2 GLU 19 1HG GLU 19 12.719 2.009 8.962 115 HG3 GLU 19 2HG GLU 19 12.646 0.793 10.223 116 H GLY 20 H GLY 20 11.086 1.023 8.265 117 HA2 GLY 20 1HA GLY 20 9.932 -0.281 10.422 118 HA3 GLY 20 2HA GLY 20 9.100 0.755 9.279 119 H VAL 21 H VAL 21 10.229 -1.341 7.126 120 HA VAL 21 HA VAL 21 7.811 -2.919 7.192 121 HB VAL 21 HB VAL 21 8.510 -1.856 5.135 122 HG11 VAL 21 1HG1 VAL 21 10.700 -3.334 4.212 123 HG12 VAL 21 2HG1 VAL 21 10.693 -1.626 4.713 124 HG13 VAL 21 3HG1 VAL 21 11.121 -2.895 5.885 125 HG21 VAL 21 1HG2 VAL 21 7.290 -3.718 4.562 126 HG22 VAL 21 2HG2 VAL 21 8.825 -4.089 3.741 127 HG23 VAL 21 3HG2 VAL 21 8.448 -4.846 5.308 128 H ARG 22 H ARG 22 11.246 -3.196 7.958 129 HA ARG 22 HA ARG 22 10.930 -6.071 8.135 130 HB2 ARG 22 1HB ARG 22 13.499 -5.912 8.604 131 HB3 ARG 22 2HB ARG 22 12.945 -5.578 6.975 132 HG2 ARG 22 1HG ARG 22 13.043 -3.158 7.367 133 HG3 ARG 22 2HG ARG 22 13.382 -3.400 9.070 134 HD2 ARG 22 1HD ARG 22 15.209 -4.429 6.848 135 HD3 ARG 22 2HD ARG 22 15.420 -2.866 7.611 136 HE ARG 22 HE ARG 22 15.220 -4.893 9.643 137 HH11 ARG 22 2HH2 ARG 22 17.433 -3.698 7.182 138 HH12 ARG 22 1HH2 ARG 22 18.853 -4.231 8.018 139 HH21 ARG 22 2HH1 ARG 22 17.093 -5.596 10.747 140 HH22 ARG 22 1HH1 ARG 22 18.658 -5.318 10.060 141 H THR 23 H THR 23 11.701 -3.099 10.006 142 HA THR 23 HA THR 23 12.159 -4.558 12.445 143 HB THR 23 HB THR 23 12.595 -2.338 13.333 144 HG1 THR 23 1HG THR 23 11.392 -1.410 10.828 145 HG21 THR 23 1HG2 THR 23 13.876 -3.184 10.980 146 HG22 THR 23 2HG2 THR 23 13.335 -1.535 10.584 147 HG23 THR 23 3HG2 THR 23 14.384 -1.812 11.994 148 H GLY 24 H GLY 24 9.563 -2.364 11.184 149 HA2 GLY 24 1HA GLY 24 7.293 -3.266 11.568 150 HA3 GLY 24 2HA GLY 24 7.785 -3.565 13.223 151 H LYS 25 H LYS 25 7.890 -0.827 10.822 152 HA LYS 25 HA LYS 25 6.241 0.826 12.347 153 HB2 LYS 25 1HB LYS 25 7.965 2.485 13.111 154 HB3 LYS 25 2HB LYS 25 7.928 0.982 14.009 155 HG2 LYS 25 1HG LYS 25 10.230 1.247 13.625 156 HG3 LYS 25 2HG LYS 25 9.775 0.180 12.312 157 HD2 LYS 25 1HD LYS 25 9.971 1.852 10.687 158 HD3 LYS 25 2HD LYS 25 9.582 3.142 11.807 159 HE2 LYS 25 1HE LYS 25 12.165 1.557 12.084 160 HE3 LYS 25 2HE LYS 25 12.057 2.921 10.988 161 HZ1 LYS 25 1HZ LYS 25 12.616 4.024 12.832 162 HZ2 LYS 25 2HZ LYS 25 11.019 3.967 13.171 163 HZ3 LYS 25 3HZ LYS 25 12.039 2.895 13.861 164 H CYS 26 H CYS 26 6.234 0.032 9.713 165 HA CYS 26 HA CYS 26 7.303 2.376 8.320 166 HB2 CYS 26 1HB CYS 26 8.263 0.368 7.417 167 HB3 CYS 26 2HB CYS 26 6.701 -0.419 7.313 168 HG CYS 26 HG CYS 26 6.506 2.433 5.982 169 H SER 27 H SER 27 5.191 3.199 9.606 170 HA SER 27 HA SER 27 2.963 2.807 7.763 171 HB2 SER 27 1HB SER 27 1.408 2.920 9.563 172 HB3 SER 27 2HB SER 27 2.671 1.842 10.122 173 HG SER 27 HG SER 27 2.042 3.456 11.725 174 H PHE 28 H PHE 28 1.825 4.706 7.110 175 HA PHE 28 HA PHE 28 2.821 7.221 8.214 176 HB2 PHE 28 1HB PHE 28 2.476 7.780 5.530 177 HB3 PHE 28 2HB PHE 28 4.026 7.327 6.211 178 HD1 PHE 28 2HD PHE 28 4.592 4.800 6.233 179 HD2 PHE 28 1HD PHE 28 1.537 6.499 3.827 180 HE1 PHE 28 2HE PHE 28 4.675 2.801 4.717 181 HE2 PHE 28 1HE PHE 28 1.620 4.500 2.311 182 HZ PHE 28 HZ PHE 28 3.188 2.675 2.774 183 HA PRO 29 HA PRO 29 -1.315 8.460 7.877 184 HB2 PRO 29 1HB PRO 29 -1.161 11.135 7.343 185 HB3 PRO 29 2HB PRO 29 -0.921 10.462 8.943 186 HG2 PRO 29 1HG PRO 29 1.095 11.506 7.050 187 HG3 PRO 29 2HG PRO 29 1.246 11.233 8.774 188 HD2 PRO 29 1HD PRO 29 2.304 9.587 6.677 189 HD3 PRO 29 2HD PRO 29 2.354 9.254 8.396 190 H VAL 30 H VAL 30 -2.720 7.698 6.438 191 HA VAL 30 HA VAL 30 -2.643 9.023 3.845 192 HB VAL 30 HB VAL 30 -2.425 7.108 2.592 193 HG11 VAL 30 1HG1 VAL 30 -0.289 7.622 3.636 194 HG12 VAL 30 2HG1 VAL 30 -0.702 6.614 5.044 195 HG13 VAL 30 3HG1 VAL 30 -0.461 5.860 3.449 196 HG21 VAL 30 1HG2 VAL 30 -4.172 5.820 3.814 197 HG22 VAL 30 2HG2 VAL 30 -2.765 4.833 3.351 198 HG23 VAL 30 3HG2 VAL 30 -2.952 5.381 5.034 199 H LYS 31 H LYS 31 -4.675 7.958 2.527 200 HA LYS 31 HA LYS 31 -6.874 7.841 4.471 201 HB2 LYS 31 1HB LYS 31 -6.581 9.503 1.977 202 HB3 LYS 31 2HB LYS 31 -8.170 9.012 2.529 203 HG2 LYS 31 1HG LYS 31 -8.156 10.605 4.142 204 HG3 LYS 31 2HG LYS 31 -6.671 9.964 4.816 205 HD2 LYS 31 1HD LYS 31 -6.026 12.143 4.213 206 HD3 LYS 31 2HD LYS 31 -5.483 11.213 2.831 207 HE2 LYS 31 1HE LYS 31 -7.378 11.885 1.496 208 HE3 LYS 31 2HE LYS 31 -8.246 12.493 2.892 209 HZ1 LYS 31 1HZ LYS 31 -7.043 14.371 2.902 210 HZ2 LYS 31 2HZ LYS 31 -5.662 13.669 2.385 211 HZ3 LYS 31 3HZ LYS 31 -6.842 14.034 1.317 212 H TYR 32 H TYR 32 -8.614 6.433 3.956 213 HA TYR 32 HA TYR 32 -7.834 4.379 2.029 214 HB2 TYR 32 1HB TYR 32 -8.407 3.909 4.486 215 HB3 TYR 32 2HB TYR 32 -9.998 4.590 4.216 216 HD1 TYR 32 1HD TYR 32 -8.398 2.515 1.632 217 HD2 TYR 32 2HD TYR 32 -11.118 2.543 4.934 218 HE1 TYR 32 1HE TYR 32 -9.266 0.225 0.946 219 HE2 TYR 32 2HE TYR 32 -11.976 0.254 4.237 220 HH TYR 32 HH TYR 32 -11.598 -1.002 1.325 221 H LEU 33 H LEU 33 -8.585 4.771 -0.010 222 HA LEU 33 HA LEU 33 -10.995 6.248 -0.410 223 HB2 LEU 33 1HB LEU 33 -9.207 4.743 -2.325 224 HB3 LEU 33 2HB LEU 33 -10.548 5.769 -2.796 225 HG LEU 33 HG LEU 33 -8.225 6.812 -1.168 226 HD11 LEU 33 1HD1 LEU 33 -7.340 5.834 -3.239 227 HD12 LEU 33 2HD1 LEU 33 -8.477 6.821 -4.189 228 HD13 LEU 33 3HD1 LEU 33 -7.202 7.608 -3.228 229 HD21 LEU 33 1HD2 LEU 33 -9.561 8.590 -1.041 230 HD22 LEU 33 2HD2 LEU 33 -9.232 8.833 -2.774 231 HD23 LEU 33 3HD2 LEU 33 -10.683 7.939 -2.261 232 H GLY 34 H GLY 34 -9.968 2.833 -1.122 233 HA2 GLY 34 1HA GLY 34 -11.943 1.405 -0.076 234 HA3 GLY 34 2HA GLY 34 -12.764 2.083 -1.468 235 H HIS 35 H HIS 35 -12.991 -0.021 -2.452 236 HA HIS 35 HA HIS 35 -10.498 -0.894 -3.694 237 HB2 HIS 35 1HB HIS 35 -11.528 -3.276 -3.463 238 HB3 HIS 35 2HB HIS 35 -10.625 -2.572 -2.136 239 HD1 HIS 35 1HD HIS 35 -11.790 -3.672 -0.173 240 HD2 HIS 35 2HD HIS 35 -14.464 -1.820 -2.822 241 HE1 HIS 35 1HE HIS 35 -14.079 -3.748 0.953 242 H VAL 36 H VAL 36 -10.672 -1.296 -5.881 243 HA VAL 36 HA VAL 36 -13.406 -1.247 -6.960 244 HB VAL 36 HB VAL 36 -12.564 0.009 -8.846 245 HG11 VAL 36 1HG1 VAL 36 -12.869 1.966 -7.789 246 HG12 VAL 36 2HG1 VAL 36 -12.979 1.000 -6.298 247 HG13 VAL 36 3HG1 VAL 36 -11.430 1.741 -6.767 248 HG21 VAL 36 1HG2 VAL 36 -9.895 -0.302 -7.467 249 HG22 VAL 36 2HG2 VAL 36 -10.338 -0.670 -9.151 250 HG23 VAL 36 3HG2 VAL 36 -10.203 1.022 -8.616 251 H GLU 37 H GLU 37 -13.655 -2.413 -9.041 252 HA GLU 37 HA GLU 37 -12.053 -4.796 -8.936 253 HB2 GLU 37 1HB GLU 37 -14.743 -4.070 -9.818 254 HB3 GLU 37 2HB GLU 37 -13.920 -4.994 -11.058 255 HG2 GLU 37 1HG GLU 37 -14.351 -6.882 -9.881 256 HG3 GLU 37 2HG GLU 37 -13.274 -6.305 -8.624 257 H VAL 38 H VAL 38 -10.636 -5.512 -10.558 258 HA VAL 38 HA VAL 38 -10.089 -3.515 -12.638 259 HB VAL 38 HB VAL 38 -7.836 -4.422 -12.669 260 HG11 VAL 38 1HG1 VAL 38 -7.059 -3.456 -10.657 261 HG12 VAL 38 2HG1 VAL 38 -8.586 -2.616 -11.020 262 HG13 VAL 38 3HG1 VAL 38 -8.545 -3.888 -9.776 263 HG21 VAL 38 1HG2 VAL 38 -7.530 -5.961 -10.398 264 HG22 VAL 38 2HG2 VAL 38 -9.069 -6.554 -11.069 265 HG23 VAL 38 3HG2 VAL 38 -7.596 -6.573 -12.068 266 H ASP 39 H ASP 39 -8.770 -4.871 -14.538 267 HA ASP 39 HA ASP 39 -10.535 -7.104 -15.163 268 HB2 ASP 39 1HB ASP 39 -10.674 -4.706 -16.443 269 HB3 ASP 39 2HB ASP 39 -9.388 -5.435 -17.385 270 H GLU 40 H GLU 40 -7.416 -5.355 -15.761 271 HA GLU 40 HA GLU 40 -6.280 -7.733 -16.910 272 HB2 GLU 40 1HB GLU 40 -4.863 -5.105 -16.324 273 HB3 GLU 40 2HB GLU 40 -4.380 -6.343 -17.466 274 HG2 GLU 40 1HG GLU 40 -7.122 -5.423 -17.992 275 HG3 GLU 40 2HG GLU 40 -5.991 -4.084 -18.005 276 H SER 41 H SER 41 -6.357 -5.932 -13.863 277 HA SER 41 HA SER 41 -5.615 -6.400 -11.877 278 HB2 SER 41 1HB SER 41 -6.217 -8.606 -11.687 279 HB3 SER 41 2HB SER 41 -5.444 -9.060 -13.192 280 HG SER 41 HG SER 41 -4.256 -10.035 -11.541 281 H ARG 42 H ARG 42 -3.797 -5.715 -14.437 282 HA ARG 42 HA ARG 42 -1.493 -5.289 -12.852 283 HB2 ARG 42 1HB ARG 42 0.102 -6.594 -14.106 284 HB3 ARG 42 2HB ARG 42 -1.214 -7.688 -13.727 285 HG2 ARG 42 1HG ARG 42 -1.097 -8.149 -15.980 286 HG3 ARG 42 2HG ARG 42 -2.145 -6.749 -16.098 287 HD2 ARG 42 1HD ARG 42 -0.575 -5.694 -17.352 288 HD3 ARG 42 2HD ARG 42 0.528 -5.730 -15.990 289 HE ARG 42 HE ARG 42 1.708 -7.427 -17.063 290 HH11 ARG 42 2HH2 ARG 42 -1.586 -7.405 -18.300 291 HH12 ARG 42 1HH2 ARG 42 -1.289 -8.641 -19.477 292 HH21 ARG 42 2HH1 ARG 42 2.101 -9.058 -18.616 293 HH22 ARG 42 1HH1 ARG 42 0.823 -9.587 -19.658 294 H GLY 43 H GLY 43 -0.489 -3.399 -13.575 295 HA2 GLY 43 1HA GLY 43 0.140 -2.473 -15.964 296 HA3 GLY 43 2HA GLY 43 -1.588 -2.183 -15.992 297 H MET 44 H MET 44 1.276 -0.666 -15.428 298 HA MET 44 HA MET 44 1.006 0.574 -13.002 299 HB2 MET 44 1HB MET 44 2.106 1.709 -15.634 300 HB3 MET 44 2HB MET 44 2.491 2.329 -14.041 301 HG2 MET 44 1HG MET 44 4.042 0.695 -13.664 302 HG3 MET 44 2HG MET 44 2.955 -0.573 -14.196 303 HE1 MET 44 1HE MET 44 4.004 -1.538 -17.518 304 HE2 MET 44 2HE MET 44 3.077 -1.784 -16.019 305 HE3 MET 44 3HE MET 44 2.472 -0.669 -17.267 306 H HIS 45 H HIS 45 -0.682 1.139 -16.071 307 HA HIS 45 HA HIS 45 -1.680 3.692 -15.204 308 HB2 HIS 45 1HB HIS 45 -2.836 3.722 -17.342 309 HB3 HIS 45 2HB HIS 45 -1.141 3.328 -17.551 310 HD1 HIS 45 1HD HIS 45 -0.546 1.010 -18.516 311 HD2 HIS 45 2HD HIS 45 -4.652 1.560 -17.855 312 HE1 HIS 45 1HE HIS 45 -1.723 -0.937 -19.671 313 H ILE 46 H ILE 46 -2.438 0.354 -14.755 314 HA ILE 46 HA ILE 46 -5.253 0.596 -14.615 315 HB ILE 46 HB ILE 46 -3.418 -1.450 -13.363 316 HG12 ILE 46 1HG1 ILE 46 -3.196 -1.028 -15.890 317 HG13 ILE 46 2HG1 ILE 46 -3.443 -2.674 -15.342 318 HG21 ILE 46 1HG2 ILE 46 -5.278 -2.268 -12.467 319 HG22 ILE 46 2HG2 ILE 46 -6.293 -1.094 -13.338 320 HG23 ILE 46 3HG2 ILE 46 -5.839 -2.628 -14.117 321 HD11 ILE 46 1HD1 ILE 46 -5.890 -1.032 -15.965 322 HD12 ILE 46 2HD1 ILE 46 -4.912 -1.637 -17.323 323 HD13 ILE 46 3HD1 ILE 46 -5.621 -2.781 -16.158 324 H CYS 47 H CYS 47 -2.634 0.495 -12.102 325 HA CYS 47 HA CYS 47 -4.048 0.667 -9.860 326 HB2 CYS 47 1HB CYS 47 -1.586 2.313 -10.526 327 HB3 CYS 47 2HB CYS 47 -2.208 2.057 -8.908 328 HG CYS 47 HG CYS 47 -2.362 -0.746 -9.894 329 H GLU 48 H GLU 48 -3.091 3.527 -11.907 330 HA GLU 48 HA GLU 48 -4.469 5.398 -10.461 331 HB2 GLU 48 1HB GLU 48 -3.629 5.235 -13.370 332 HB3 GLU 48 2HB GLU 48 -4.511 6.629 -12.779 333 HG2 GLU 48 1HG GLU 48 -2.641 7.480 -11.817 334 HG3 GLU 48 2HG GLU 48 -2.385 6.007 -10.903 335 H ASP 49 H ASP 49 -5.529 3.643 -13.467 336 HA ASP 49 HA ASP 49 -7.927 4.698 -13.841 337 HB2 ASP 49 1HB ASP 49 -6.641 2.164 -14.394 338 HB3 ASP 49 2HB ASP 49 -8.310 1.844 -13.969 339 H ALA 50 H ALA 50 -6.864 2.617 -11.163 340 HA ALA 50 HA ALA 50 -9.398 1.786 -10.269 341 HB1 ALA 50 1HB ALA 50 -7.003 2.220 -8.477 342 HB2 ALA 50 2HB ALA 50 -8.220 0.922 -8.433 343 HB3 ALA 50 3HB ALA 50 -6.987 0.943 -9.716 344 H VAL 51 H VAL 51 -7.161 4.334 -8.938 345 HA VAL 51 HA VAL 51 -8.827 5.415 -7.103 346 HB VAL 51 HB VAL 51 -7.019 6.989 -8.942 347 HG11 VAL 51 1HG1 VAL 51 -8.473 8.270 -7.351 348 HG12 VAL 51 2HG1 VAL 51 -7.666 7.423 -6.009 349 HG13 VAL 51 3HG1 VAL 51 -6.727 8.488 -7.083 350 HG21 VAL 51 1HG2 VAL 51 -6.406 4.924 -6.900 351 HG22 VAL 51 2HG2 VAL 51 -5.465 5.463 -8.311 352 HG23 VAL 51 3HG2 VAL 51 -5.447 6.421 -6.811 353 H LYS 52 H LYS 52 -8.483 6.697 -10.493 354 HA LYS 52 HA LYS 52 -10.436 8.512 -10.517 355 HB2 LYS 52 1HB LYS 52 -9.838 6.495 -12.702 356 HB3 LYS 52 2HB LYS 52 -10.729 7.987 -12.927 357 HG2 LYS 52 1HG LYS 52 -8.827 9.245 -12.953 358 HG3 LYS 52 2HG LYS 52 -8.189 8.461 -11.522 359 HD2 LYS 52 1HD LYS 52 -7.059 6.819 -12.741 360 HD3 LYS 52 2HD LYS 52 -8.206 6.854 -14.066 361 HE2 LYS 52 1HE LYS 52 -7.081 9.451 -14.048 362 HE3 LYS 52 2HE LYS 52 -5.726 8.390 -13.717 363 HZ1 LYS 52 1HZ LYS 52 -6.194 8.747 -16.090 364 HZ2 LYS 52 2HZ LYS 52 -6.200 7.169 -15.668 365 HZ3 LYS 52 3HZ LYS 52 -7.611 7.950 -15.925 366 H ARG 53 H ARG 53 -10.967 4.968 -11.107 367 HA ARG 53 HA ARG 53 -13.589 4.973 -11.526 368 HB2 ARG 53 1HB ARG 53 -11.682 3.050 -10.925 369 HB3 ARG 53 2HB ARG 53 -12.750 2.907 -9.543 370 HG2 ARG 53 1HG ARG 53 -14.710 2.742 -11.167 371 HG3 ARG 53 2HG ARG 53 -13.552 2.700 -12.482 372 HD2 ARG 53 1HD ARG 53 -12.532 0.744 -10.798 373 HD3 ARG 53 2HD ARG 53 -14.254 0.579 -10.515 374 HE ARG 53 HE ARG 53 -13.475 0.754 -13.356 375 HH11 ARG 53 2HH2 ARG 53 -14.195 -1.355 -10.633 376 HH12 ARG 53 1HH2 ARG 53 -14.543 -2.731 -11.626 377 HH21 ARG 53 2HH1 ARG 53 -13.934 -1.060 -14.667 378 HH22 ARG 53 1HH1 ARG 53 -14.394 -2.562 -13.936 379 H LEU 54 H LEU 54 -11.898 5.391 -8.386 380 HA LEU 54 HA LEU 54 -14.352 5.320 -6.893 381 HB2 LEU 54 1HB LEU 54 -11.571 6.132 -6.038 382 HB3 LEU 54 2HB LEU 54 -12.931 5.793 -4.985 383 HG LEU 54 HG LEU 54 -11.905 3.682 -6.872 384 HD11 LEU 54 1HD1 LEU 54 -10.727 3.033 -4.486 385 HD12 LEU 54 2HD1 LEU 54 -9.904 3.787 -5.873 386 HD13 LEU 54 3HD1 LEU 54 -10.509 4.799 -4.540 387 HD21 LEU 54 1HD2 LEU 54 -13.720 3.815 -4.525 388 HD22 LEU 54 2HD2 LEU 54 -13.785 2.792 -5.981 389 HD23 LEU 54 3HD2 LEU 54 -12.674 2.380 -4.653 390 H LYS 55 H LYS 55 -12.218 7.718 -8.429 391 HA LYS 55 HA LYS 55 -13.261 9.954 -7.069 392 HB2 LYS 55 1HB LYS 55 -12.020 9.941 -9.827 393 HB3 LYS 55 2HB LYS 55 -12.049 11.250 -8.662 394 HG2 LYS 55 1HG LYS 55 -10.552 8.604 -8.393 395 HG3 LYS 55 2HG LYS 55 -9.841 10.190 -8.615 396 HD2 LYS 55 1HD LYS 55 -11.617 9.576 -6.221 397 HD3 LYS 55 2HD LYS 55 -9.903 9.211 -6.199 398 HE2 LYS 55 1HE LYS 55 -9.982 11.381 -5.266 399 HE3 LYS 55 2HE LYS 55 -9.558 11.699 -6.936 400 HZ1 LYS 55 1HZ LYS 55 -11.496 12.691 -7.281 401 HZ2 LYS 55 2HZ LYS 55 -12.369 11.565 -6.482 402 HZ3 LYS 55 3HZ LYS 55 -11.641 12.771 -5.656 403 H ALA 56 H ALA 56 -14.506 7.852 -9.554 404 HA ALA 56 HA ALA 56 -16.464 9.874 -10.350 405 HB1 ALA 56 1HB ALA 56 -15.072 7.706 -11.662 406 HB2 ALA 56 2HB ALA 56 -16.829 7.436 -11.761 407 HB3 ALA 56 3HB ALA 56 -16.126 8.954 -12.370 408 H THR 57 H THR 57 -15.958 7.129 -8.276 409 HA THR 57 HA THR 57 -18.676 6.242 -8.242 410 HB THR 57 HB THR 57 -16.232 5.189 -7.524 411 HG1 THR 57 1HG THR 57 -18.917 4.704 -6.435 412 HG21 THR 57 1HG2 THR 57 -16.170 6.569 -5.405 413 HG22 THR 57 2HG2 THR 57 -17.739 5.868 -4.944 414 HG23 THR 57 3HG2 THR 57 -16.303 4.825 -5.078 415 H GLY 58 H GLY 58 -17.061 9.003 -7.003 416 HA2 GLY 58 1HA GLY 58 -17.732 10.645 -5.625 417 HA3 GLY 58 2HA GLY 58 -19.368 10.055 -5.836 418 H LYS 59 H LYS 59 -16.363 8.728 -4.262 419 HA LYS 59 HA LYS 59 -18.039 8.114 -1.936 420 HB2 LYS 59 1HB LYS 59 -16.009 6.636 -3.396 421 HB3 LYS 59 2HB LYS 59 -15.580 6.776 -1.703 422 HG2 LYS 59 1HG LYS 59 -18.452 6.146 -2.199 423 HG3 LYS 59 2HG LYS 59 -17.335 4.902 -2.726 424 HD2 LYS 59 1HD LYS 59 -16.744 6.042 -0.033 425 HD3 LYS 59 2HD LYS 59 -18.262 5.173 -0.140 426 HE2 LYS 59 1HE LYS 59 -16.834 3.315 -1.364 427 HE3 LYS 59 2HE LYS 59 -15.457 4.134 -0.654 428 HZ1 LYS 59 1HZ LYS 59 -16.307 2.398 0.765 429 HZ2 LYS 59 2HZ LYS 59 -16.458 3.848 1.502 430 HZ3 LYS 59 3HZ LYS 59 -17.769 3.121 0.853 431 H LYS 60 H LYS 60 -15.879 7.778 -0.085 432 HA LYS 60 HA LYS 60 -14.621 10.409 -0.040 433 HB2 LYS 60 1HB LYS 60 -16.606 9.358 1.955 434 HB3 LYS 60 2HB LYS 60 -15.298 10.388 2.502 435 HG2 LYS 60 1HG LYS 60 -15.961 12.154 0.908 436 HG3 LYS 60 2HG LYS 60 -17.190 11.114 0.216 437 HD2 LYS 60 1HD LYS 60 -17.901 11.020 2.875 438 HD3 LYS 60 2HD LYS 60 -17.215 12.630 2.790 439 HE2 LYS 60 1HE LYS 60 -18.963 13.439 1.557 440 HE3 LYS 60 2HE LYS 60 -18.971 12.050 0.488 441 HZ1 LYS 60 1HZ LYS 60 -20.964 12.090 1.745 442 HZ2 LYS 60 2HZ LYS 60 -20.084 10.818 2.270 443 HZ3 LYS 60 3HZ LYS 60 -20.166 12.179 3.168 444 H ALA 61 H ALA 61 -12.852 10.498 1.644 445 HA ALA 61 HA ALA 61 -11.636 7.832 1.824 446 HB1 ALA 61 1HB ALA 61 -10.697 10.251 0.760 447 HB2 ALA 61 2HB ALA 61 -9.880 10.110 2.335 448 HB3 ALA 61 3HB ALA 61 -9.727 8.806 1.133 449 H VAL 62 H VAL 62 -10.785 7.102 3.815 450 HA VAL 62 HA VAL 62 -11.855 8.565 6.111 451 HB VAL 62 HB VAL 62 -11.112 5.701 5.575 452 HG11 VAL 62 1HG1 VAL 62 -11.594 5.237 7.984 453 HG12 VAL 62 2HG1 VAL 62 -10.098 6.163 7.716 454 HG13 VAL 62 3HG1 VAL 62 -11.567 6.991 8.285 455 HG21 VAL 62 1HG2 VAL 62 -13.473 5.497 6.695 456 HG22 VAL 62 2HG2 VAL 62 -13.612 7.221 6.272 457 HG23 VAL 62 3HG2 VAL 62 -13.335 6.011 4.996 458 H LYS 63 H LYS 63 -10.479 8.646 8.101 459 HA LYS 63 HA LYS 63 -7.722 9.183 7.295 460 HB2 LYS 63 1HB LYS 63 -9.437 10.151 9.590 461 HB3 LYS 63 2HB LYS 63 -7.703 10.393 9.550 462 HG2 LYS 63 1HG LYS 63 -8.671 11.154 6.968 463 HG3 LYS 63 2HG LYS 63 -9.780 11.854 8.130 464 HD2 LYS 63 1HD LYS 63 -8.152 13.525 8.049 465 HD3 LYS 63 2HD LYS 63 -7.563 12.579 9.402 466 HE2 LYS 63 1HE LYS 63 -6.028 11.333 7.864 467 HE3 LYS 63 2HE LYS 63 -6.617 12.277 6.510 468 HZ1 LYS 63 1HZ LYS 63 -5.049 13.710 7.051 469 HZ2 LYS 63 2HZ LYS 63 -5.915 14.117 8.374 470 HZ3 LYS 63 3HZ LYS 63 -4.734 12.995 8.485 471 H ALA 64 H ALA 64 -6.472 7.382 7.457 472 HA ALA 64 HA ALA 64 -6.355 6.130 10.072 473 HB1 ALA 64 1HB ALA 64 -7.655 4.934 7.760 474 HB2 ALA 64 2HB ALA 64 -6.246 3.970 8.264 475 HB3 ALA 64 3HB ALA 64 -7.541 4.330 9.430 476 H VAL 65 H VAL 65 -4.408 4.534 10.089 477 HA VAL 65 HA VAL 65 -2.278 5.833 8.556 478 HB VAL 65 HB VAL 65 -2.238 4.184 11.091 479 HG11 VAL 65 1HG1 VAL 65 0.063 4.320 11.165 480 HG12 VAL 65 2HG1 VAL 65 -0.199 4.145 9.413 481 HG13 VAL 65 3HG1 VAL 65 0.125 5.751 10.108 482 HG21 VAL 65 1HG2 VAL 65 -2.139 6.120 12.302 483 HG22 VAL 65 2HG2 VAL 65 -1.351 7.033 10.994 484 HG23 VAL 65 3HG2 VAL 65 -3.100 6.710 10.925 485 H LEU 66 H LEU 66 -1.318 4.761 6.904 486 HA LEU 66 HA LEU 66 -2.118 2.008 6.480 487 HB2 LEU 66 1HB LEU 66 -2.365 3.333 4.581 488 HB3 LEU 66 2HB LEU 66 -0.832 4.148 4.818 489 HG LEU 66 HG LEU 66 0.406 2.221 4.098 490 HD11 LEU 66 1HD1 LEU 66 -1.350 0.624 5.186 491 HD12 LEU 66 2HD1 LEU 66 -2.082 0.630 3.563 492 HD13 LEU 66 3HD1 LEU 66 -0.402 0.084 3.779 493 HD21 LEU 66 1HD2 LEU 66 -0.315 3.604 2.297 494 HD22 LEU 66 2HD2 LEU 66 -0.512 1.912 1.781 495 HD23 LEU 66 3HD2 LEU 66 -1.932 2.860 2.286 496 H TRP 67 H TRP 67 -0.943 0.350 7.260 497 HA TRP 67 HA TRP 67 1.838 0.895 7.972 498 HB2 TRP 67 1HB TRP 67 -0.094 -1.286 8.761 499 HB3 TRP 67 2HB TRP 67 1.612 -1.321 9.160 500 HD1 TRP 67 HD TRP 67 -1.384 1.131 9.745 501 HE1 TRP 67 1HE TRP 67 -1.171 2.296 12.104 502 HE3 TRP 67 3HE TRP 67 3.075 -0.983 10.972 503 HZ2 TRP 67 2HZ TRP 67 0.794 2.205 14.171 504 HZ3 TRP 67 3HZ TRP 67 4.072 -0.392 13.179 505 HH2 TRP 67 HH TRP 67 3.006 1.142 14.754 506 H VAL 68 H VAL 68 3.546 -0.444 7.149 507 HA VAL 68 HA VAL 68 2.763 -2.250 4.982 508 HB VAL 68 HB VAL 68 5.048 -0.292 4.774 509 HG11 VAL 68 1HG1 VAL 68 4.259 -0.916 2.234 510 HG12 VAL 68 2HG1 VAL 68 5.556 -1.747 3.125 511 HG13 VAL 68 3HG1 VAL 68 3.916 -2.439 3.089 512 HG21 VAL 68 1HG2 VAL 68 3.404 1.279 4.682 513 HG22 VAL 68 2HG2 VAL 68 3.284 0.702 3.002 514 HG23 VAL 68 3HG2 VAL 68 2.146 0.102 4.233 515 H SER 69 H SER 69 3.638 -4.229 5.289 516 HA SER 69 HA SER 69 6.247 -4.343 6.523 517 HB2 SER 69 1HB SER 69 3.887 -5.988 7.539 518 HB3 SER 69 2HB SER 69 5.537 -6.100 8.116 519 HG SER 69 HG SER 69 3.812 -3.778 8.303 520 H ALA 70 H ALA 70 7.287 -6.523 6.194 521 HA ALA 70 HA ALA 70 6.976 -7.417 3.595 522 HB1 ALA 70 1HB ALA 70 8.626 -9.017 4.166 523 HB2 ALA 70 2HB ALA 70 8.942 -7.646 5.255 524 HB3 ALA 70 3HB ALA 70 8.094 -9.088 5.863 525 H ASP 71 H ASP 71 5.125 -8.097 6.478 526 HA ASP 71 HA ASP 71 4.196 -10.616 5.544 527 HB2 ASP 71 1HB ASP 71 3.938 -8.934 7.935 528 HB3 ASP 71 2HB ASP 71 2.383 -9.599 7.474 529 H GLY 72 H GLY 72 3.695 -7.422 4.604 530 HA2 GLY 72 1HA GLY 72 2.056 -7.298 2.728 531 HA3 GLY 72 2HA GLY 72 0.867 -7.892 3.871 532 H LEU 73 H LEU 73 -0.497 -6.096 3.993 533 HA LEU 73 HA LEU 73 0.763 -3.690 5.109 534 HB2 LEU 73 1HB LEU 73 -1.682 -3.441 3.433 535 HB3 LEU 73 2HB LEU 73 -0.394 -2.290 3.729 536 HG LEU 73 HG LEU 73 0.130 -4.772 2.105 537 HD11 LEU 73 1HD1 LEU 73 -1.711 -3.973 0.918 538 HD12 LEU 73 2HD1 LEU 73 -1.291 -2.269 1.216 539 HD13 LEU 73 3HD1 LEU 73 -0.319 -3.240 0.084 540 HD21 LEU 73 1HD2 LEU 73 2.140 -3.882 1.813 541 HD22 LEU 73 2HD2 LEU 73 1.435 -2.356 1.228 542 HD23 LEU 73 3HD2 LEU 73 1.700 -2.603 2.971 543 H ARG 74 H ARG 74 -1.122 -2.254 6.135 544 HA ARG 74 HA ARG 74 -3.233 -3.827 7.195 545 HB2 ARG 74 1HB ARG 74 -0.792 -3.164 8.827 546 HB3 ARG 74 2HB ARG 74 -2.340 -2.969 9.626 547 HG2 ARG 74 1HG ARG 74 -2.600 -5.442 8.320 548 HG3 ARG 74 2HG ARG 74 -0.931 -5.446 8.854 549 HD2 ARG 74 1HD ARG 74 -1.888 -4.639 11.166 550 HD3 ARG 74 2HD ARG 74 -3.441 -5.166 10.549 551 HE ARG 74 HE ARG 74 -1.661 -7.301 10.071 552 HH11 ARG 74 2HH2 ARG 74 -2.905 -5.556 12.862 553 HH12 ARG 74 1HH2 ARG 74 -2.765 -6.910 13.932 554 HH21 ARG 74 2HH1 ARG 74 -1.476 -9.089 11.483 555 HH22 ARG 74 1HH1 ARG 74 -1.946 -8.933 13.143 556 H VAL 75 H VAL 75 -4.916 -2.384 6.989 557 HA VAL 75 HA VAL 75 -4.331 0.451 7.156 558 HB VAL 75 HB VAL 75 -6.840 -1.079 6.439 559 HG11 VAL 75 1HG1 VAL 75 -7.456 1.104 7.254 560 HG12 VAL 75 2HG1 VAL 75 -6.190 1.882 6.273 561 HG13 VAL 75 3HG1 VAL 75 -7.584 1.112 5.479 562 HG21 VAL 75 1HG2 VAL 75 -5.178 -1.519 4.782 563 HG22 VAL 75 2HG2 VAL 75 -6.263 -0.279 4.109 564 HG23 VAL 75 3HG2 VAL 75 -4.667 0.186 4.745 565 H VAL 76 H VAL 76 -3.927 0.847 9.358 566 HA VAL 76 HA VAL 76 -5.786 -0.126 11.318 567 HB VAL 76 HB VAL 76 -3.262 1.480 11.289 568 HG11 VAL 76 1HG1 VAL 76 -3.622 1.545 13.888 569 HG12 VAL 76 2HG1 VAL 76 -4.320 2.817 12.857 570 HG13 VAL 76 3HG1 VAL 76 -5.347 1.492 13.454 571 HG21 VAL 76 1HG2 VAL 76 -2.363 -0.291 12.514 572 HG22 VAL 76 2HG2 VAL 76 -3.956 -0.833 13.094 573 HG23 VAL 76 3HG2 VAL 76 -3.486 -1.106 11.399 574 H ASP 77 H ASP 77 -7.102 1.253 12.705 575 HA ASP 77 HA ASP 77 -8.063 3.523 11.182 576 HB2 ASP 77 1HB ASP 77 -9.587 1.613 12.030 577 HB3 ASP 77 2HB ASP 77 -9.322 2.239 13.645 578 H GLU 78 H GLU 78 -6.973 5.405 11.828 579 HA GLU 78 HA GLU 78 -5.515 5.830 13.988 580 HB2 GLU 78 1HB GLU 78 -7.305 7.709 12.428 581 HB3 GLU 78 2HB GLU 78 -6.367 8.318 13.776 582 HG2 GLU 78 1HG GLU 78 -4.565 6.707 12.272 583 HG3 GLU 78 2HG GLU 78 -5.475 7.616 11.083 584 H LYS 79 H LYS 79 -9.049 5.656 13.878 585 HA LYS 79 HA LYS 79 -9.846 7.007 16.068 586 HB2 LYS 79 1HB LYS 79 -11.110 5.454 14.374 587 HB3 LYS 79 2HB LYS 79 -10.874 4.221 15.595 588 HG2 LYS 79 1HG LYS 79 -11.880 6.870 16.577 589 HG3 LYS 79 2HG LYS 79 -12.993 5.941 15.593 590 HD2 LYS 79 1HD LYS 79 -13.321 4.369 17.224 591 HD3 LYS 79 2HD LYS 79 -11.616 4.284 17.620 592 HE2 LYS 79 1HE LYS 79 -12.001 5.517 19.483 593 HE3 LYS 79 2HE LYS 79 -12.490 6.867 18.477 594 HZ1 LYS 79 1HZ LYS 79 -14.335 6.432 19.736 595 HZ2 LYS 79 2HZ LYS 79 -14.697 5.621 18.366 596 HZ3 LYS 79 3HZ LYS 79 -14.167 4.808 19.680 597 H THR 80 H THR 80 -9.267 3.442 16.348 598 HA THR 80 HA THR 80 -7.976 4.011 18.936 599 HB THR 80 HB THR 80 -10.393 3.011 18.903 600 HG1 THR 80 1HG THR 80 -8.874 2.908 20.715 601 HG21 THR 80 1HG2 THR 80 -8.694 0.639 17.977 602 HG22 THR 80 2HG2 THR 80 -10.271 0.457 18.780 603 HG23 THR 80 3HG2 THR 80 -10.166 1.268 17.200 604 H LYS 81 H LYS 81 -6.980 3.586 16.034 605 HA LYS 81 HA LYS 81 -5.187 2.671 15.126 606 HB2 LYS 81 1HB LYS 81 -4.673 1.968 18.006 607 HB3 LYS 81 2HB LYS 81 -3.626 1.338 16.751 608 HG2 LYS 81 1HG LYS 81 -4.301 4.303 16.981 609 HG3 LYS 81 2HG LYS 81 -2.928 3.586 17.801 610 HD2 LYS 81 1HD LYS 81 -3.356 3.297 14.797 611 HD3 LYS 81 2HD LYS 81 -2.473 4.643 15.488 612 HE2 LYS 81 1HE LYS 81 -1.753 1.742 16.095 613 HE3 LYS 81 2HE LYS 81 -1.069 2.611 14.735 614 HZ1 LYS 81 1HZ LYS 81 0.342 3.546 16.115 615 HZ2 LYS 81 2HZ LYS 81 -0.862 4.210 16.997 616 HZ3 LYS 81 3HZ LYS 81 -0.289 2.730 17.381 617 H ASP 82 H ASP 82 -7.900 1.160 15.964 618 HA ASP 82 HA ASP 82 -7.326 -1.519 15.997 619 HB2 ASP 82 1HB ASP 82 -9.568 -0.469 16.424 620 HB3 ASP 82 2HB ASP 82 -9.711 -0.101 14.717 621 H LEU 83 H LEU 83 -8.105 -3.047 14.035 622 HA LEU 83 HA LEU 83 -6.652 -2.111 11.686 623 HB2 LEU 83 1HB LEU 83 -5.972 -4.208 12.774 624 HB3 LEU 83 2HB LEU 83 -7.565 -4.878 12.485 625 HG LEU 83 HG LEU 83 -7.228 -4.874 10.102 626 HD11 LEU 83 1HD1 LEU 83 -4.806 -4.210 9.317 627 HD12 LEU 83 2HD1 LEU 83 -6.086 -2.984 9.481 628 HD13 LEU 83 3HD1 LEU 83 -4.858 -3.166 10.757 629 HD21 LEU 83 1HD2 LEU 83 -4.893 -6.009 11.655 630 HD22 LEU 83 2HD2 LEU 83 -6.392 -6.831 11.157 631 HD23 LEU 83 3HD2 LEU 83 -5.191 -6.351 9.934 632 H ILE 84 H ILE 84 -7.683 -1.483 9.863 633 HA ILE 84 HA ILE 84 -10.572 -1.804 9.824 634 HB ILE 84 HB ILE 84 -8.769 -0.192 8.016 635 HG12 ILE 84 1HG1 ILE 84 -10.375 0.840 10.364 636 HG13 ILE 84 2HG1 ILE 84 -8.685 0.397 10.495 637 HG21 ILE 84 1HG2 ILE 84 -11.184 -0.910 7.326 638 HG22 ILE 84 2HG2 ILE 84 -11.683 0.342 8.489 639 HG23 ILE 84 3HG2 ILE 84 -10.652 0.774 7.104 640 HD11 ILE 84 1HD1 ILE 84 -7.960 2.176 9.184 641 HD12 ILE 84 2HD1 ILE 84 -9.463 2.223 8.232 642 HD13 ILE 84 3HD1 ILE 84 -9.431 2.897 9.879 643 H VAL 85 H VAL 85 -7.624 -2.572 7.885 644 HA VAL 85 HA VAL 85 -9.150 -4.741 6.675 645 HB VAL 85 HB VAL 85 -7.697 -2.546 5.202 646 HG11 VAL 85 1HG1 VAL 85 -8.020 -3.882 3.140 647 HG12 VAL 85 2HG1 VAL 85 -6.903 -4.659 4.288 648 HG13 VAL 85 3HG1 VAL 85 -8.574 -5.251 4.134 649 HG21 VAL 85 1HG2 VAL 85 -10.006 -2.948 3.860 650 HG22 VAL 85 2HG2 VAL 85 -10.519 -3.436 5.493 651 HG23 VAL 85 3HG2 VAL 85 -9.847 -1.811 5.221 652 H ASP 86 H ASP 86 -7.722 -6.431 5.758 653 HA ASP 86 HA ASP 86 -5.026 -6.220 6.837 654 HB2 ASP 86 1HB ASP 86 -5.992 -7.707 8.382 655 HB3 ASP 86 2HB ASP 86 -7.102 -8.377 7.203 656 H GLN 87 H GLN 87 -3.733 -6.234 4.984 657 HA GLN 87 HA GLN 87 -4.516 -8.124 2.902 658 HB2 GLN 87 1HB GLN 87 -4.754 -5.682 2.275 659 HB3 GLN 87 2HB GLN 87 -3.028 -5.492 2.505 660 HG2 GLN 87 1HG GLN 87 -3.463 -5.874 0.130 661 HG3 GLN 87 2HG GLN 87 -2.612 -7.263 0.775 662 HE21 GLN 87 1HE2 GLN 87 -3.450 -8.401 -1.047 663 HE22 GLN 87 2HE2 GLN 87 -5.049 -9.067 -1.031 664 H THR 88 H THR 88 -2.876 -9.448 2.008 665 HA THR 88 HA THR 88 -0.348 -9.368 3.507 666 HB THR 88 HB THR 88 -1.479 -11.458 3.856 667 HG1 THR 88 1HG THR 88 0.013 -12.826 2.667 668 HG21 THR 88 1HG2 THR 88 -1.884 -12.711 1.426 669 HG22 THR 88 2HG2 THR 88 -3.176 -11.909 2.351 670 HG23 THR 88 3HG2 THR 88 -2.357 -11.041 1.031 671 H ILE 89 H ILE 89 1.640 -9.357 2.484 672 HA ILE 89 HA ILE 89 1.782 -7.988 0.086 673 HB ILE 89 HB ILE 89 3.492 -8.508 2.039 674 HG12 ILE 89 1HG1 ILE 89 5.303 -7.670 0.527 675 HG13 ILE 89 2HG1 ILE 89 4.226 -7.893 -0.838 676 HG21 ILE 89 1HG2 ILE 89 4.744 -10.230 -0.065 677 HG22 ILE 89 2HG2 ILE 89 5.042 -10.161 1.689 678 HG23 ILE 89 3HG2 ILE 89 3.575 -10.953 1.066 679 HD11 ILE 89 1HD1 ILE 89 2.742 -6.196 -0.125 680 HD12 ILE 89 2HD1 ILE 89 3.313 -6.275 1.559 681 HD13 ILE 89 3HD1 ILE 89 4.339 -5.537 0.305 682 H GLU 90 H GLU 90 1.052 -11.318 0.722 683 HA GLU 90 HA GLU 90 2.109 -12.405 -1.620 684 HB2 GLU 90 1HB GLU 90 0.054 -13.243 0.417 685 HB3 GLU 90 2HB GLU 90 0.134 -14.138 -1.087 686 HG2 GLU 90 1HG GLU 90 2.442 -13.678 0.859 687 HG3 GLU 90 2HG GLU 90 1.592 -15.189 0.604 688 H LYS 91 H LYS 91 -1.380 -11.760 -0.786 689 HA LYS 91 HA LYS 91 -2.451 -12.137 -3.240 690 HB2 LYS 91 1HB LYS 91 -3.160 -10.542 -0.844 691 HB3 LYS 91 2HB LYS 91 -3.972 -10.075 -2.325 692 HG2 LYS 91 1HG LYS 91 -5.417 -11.779 -1.866 693 HG3 LYS 91 2HG LYS 91 -4.153 -12.836 -2.463 694 HD2 LYS 91 1HD LYS 91 -4.688 -13.738 -0.330 695 HD3 LYS 91 2HD LYS 91 -3.214 -12.835 -0.045 696 HE2 LYS 91 1HE LYS 91 -4.368 -11.038 1.021 697 HE3 LYS 91 2HE LYS 91 -5.913 -11.494 0.330 698 HZ1 LYS 91 1HZ LYS 91 -5.072 -12.178 2.766 699 HZ2 LYS 91 2HZ LYS 91 -6.250 -12.957 1.947 700 HZ3 LYS 91 3HZ LYS 91 -4.723 -13.536 1.929 701 H VAL 92 H VAL 92 -1.101 -9.016 -1.965 702 HA VAL 92 HA VAL 92 -1.545 -7.358 -4.002 703 HB VAL 92 HB VAL 92 1.022 -7.761 -2.458 704 HG11 VAL 92 1HG1 VAL 92 1.946 -5.936 -3.397 705 HG12 VAL 92 2HG1 VAL 92 0.793 -6.225 -4.721 706 HG13 VAL 92 3HG1 VAL 92 0.400 -5.053 -3.440 707 HG21 VAL 92 1HG2 VAL 92 0.113 -5.844 -1.107 708 HG22 VAL 92 2HG2 VAL 92 -1.419 -6.018 -1.997 709 HG23 VAL 92 3HG2 VAL 92 -0.824 -7.352 -0.979 710 H SER 93 H SER 93 -1.598 -7.878 -6.143 711 HA SER 93 HA SER 93 0.325 -9.690 -7.190 712 HB2 SER 93 1HB SER 93 -2.162 -9.359 -7.901 713 HB3 SER 93 2HB SER 93 -1.587 -7.981 -8.817 714 HG SER 93 HG SER 93 0.101 -9.858 -9.518 715 H PHE 94 H PHE 94 -0.495 -6.177 -7.613 716 HA PHE 94 HA PHE 94 2.289 -5.630 -8.112 717 HB2 PHE 94 1HB PHE 94 1.260 -6.253 -10.354 718 HB3 PHE 94 2HB PHE 94 0.018 -5.042 -10.106 719 HD1 PHE 94 2HD PHE 94 3.677 -4.777 -9.471 720 HD2 PHE 94 1HD PHE 94 0.376 -3.503 -11.815 721 HE1 PHE 94 2HE PHE 94 5.130 -3.059 -10.584 722 HE2 PHE 94 1HE PHE 94 1.829 -1.785 -12.927 723 HZ PHE 94 HZ PHE 94 4.189 -1.584 -12.298 724 H CYS 95 H CYS 95 2.722 -3.249 -8.165 725 HA CYS 95 HA CYS 95 0.511 -1.614 -7.269 726 HB2 CYS 95 1HB CYS 95 1.801 -0.762 -5.310 727 HB3 CYS 95 2HB CYS 95 1.272 -2.424 -5.142 728 HG CYS 95 HG CYS 95 3.400 -3.575 -5.217 729 H ALA 96 H ALA 96 0.702 0.386 -8.256 730 HA ALA 96 HA ALA 96 3.385 1.232 -9.066 731 HB1 ALA 96 1HB ALA 96 1.345 1.927 -11.033 732 HB2 ALA 96 2HB ALA 96 2.912 1.114 -11.264 733 HB3 ALA 96 3HB ALA 96 1.472 0.164 -10.824 734 HA PRO 97 HA PRO 97 1.993 5.049 -7.588 735 HB2 PRO 97 1HB PRO 97 3.526 6.822 -8.994 736 HB3 PRO 97 2HB PRO 97 4.120 5.931 -7.606 737 HG2 PRO 97 1HG PRO 97 4.687 5.489 -10.474 738 HG3 PRO 97 2HG PRO 97 5.574 4.911 -9.078 739 HD2 PRO 97 1HD PRO 97 3.785 3.390 -10.726 740 HD3 PRO 97 2HD PRO 97 4.582 2.845 -9.264 741 H ASP 98 H ASP 98 1.720 7.565 -8.712 742 HA ASP 98 HA ASP 98 -0.283 6.968 -10.744 743 HB2 ASP 98 1HB ASP 98 -1.585 8.932 -9.767 744 HB3 ASP 98 2HB ASP 98 -1.534 7.497 -8.763 745 H ARG 99 H ARG 99 -0.978 9.442 -11.638 746 HA ARG 99 HA ARG 99 1.208 11.229 -11.666 747 HB2 ARG 99 1HB ARG 99 1.685 11.102 -14.101 748 HB3 ARG 99 2HB ARG 99 2.036 9.570 -13.326 749 HG2 ARG 99 1HG ARG 99 0.213 8.485 -14.306 750 HG3 ARG 99 2HG ARG 99 -0.745 9.948 -14.413 751 HD2 ARG 99 1HD ARG 99 1.764 9.924 -16.051 752 HD3 ARG 99 2HD ARG 99 0.517 8.804 -16.560 753 HE ARG 99 HE ARG 99 -0.473 11.518 -16.018 754 HH11 ARG 99 2HH2 ARG 99 0.852 9.339 -18.442 755 HH12 ARG 99 1HH2 ARG 99 0.217 10.236 -19.780 756 HH21 ARG 99 2HH1 ARG 99 -1.311 12.702 -17.783 757 HH22 ARG 99 1HH1 ARG 99 -1.022 12.162 -19.403 758 H ASN 100 H ASN 100 -1.716 11.105 -11.060 759 HA ASN 100 HA ASN 100 -2.572 13.096 -13.009 760 HB2 ASN 100 1HB ASN 100 -4.478 11.256 -11.492 761 HB3 ASN 100 2HB ASN 100 -4.845 12.257 -12.883 762 HD21 ASN 100 1HD2 ASN 100 -4.103 9.203 -11.825 763 HD22 ASN 100 2HD2 ASN 100 -3.625 8.451 -13.310 764 H PHE 101 H PHE 101 -2.877 11.708 -9.671 765 HA PHE 101 HA PHE 101 -3.925 14.251 -8.717 766 HB2 PHE 101 1HB PHE 101 -3.337 11.640 -7.213 767 HB3 PHE 101 2HB PHE 101 -4.448 12.901 -6.717 768 HD1 PHE 101 1HD PHE 101 -3.932 10.143 -9.103 769 HD2 PHE 101 2HD PHE 101 -6.685 12.978 -7.555 770 HE1 PHE 101 1HE PHE 101 -5.818 8.925 -10.225 771 HE2 PHE 101 2HE PHE 101 -8.571 11.759 -8.677 772 HZ PHE 101 HZ PHE 101 -8.114 9.747 -9.999 773 H ASP 102 H ASP 102 -3.038 14.493 -6.178 774 HA ASP 102 HA ASP 102 -0.318 15.210 -6.622 775 HB2 ASP 102 1HB ASP 102 -2.374 15.613 -4.452 776 HB3 ASP 102 2HB ASP 102 -0.688 15.805 -4.014 777 H ARG 103 H ARG 103 -2.261 12.921 -4.609 778 HA ARG 103 HA ARG 103 0.068 11.290 -4.326 779 HB2 ARG 103 1HB ARG 103 -0.137 11.106 -1.844 780 HB3 ARG 103 2HB ARG 103 0.251 12.745 -2.330 781 HG2 ARG 103 1HG ARG 103 -2.484 12.888 -2.375 782 HG3 ARG 103 2HG ARG 103 -2.275 11.663 -1.140 783 HD2 ARG 103 1HD ARG 103 -2.325 13.919 -0.119 784 HD3 ARG 103 2HD ARG 103 -0.763 13.168 0.136 785 HE ARG 103 HE ARG 103 -0.662 14.668 -2.303 786 HH11 ARG 103 2HH2 ARG 103 -0.856 15.172 1.175 787 HH12 ARG 103 1HH2 ARG 103 -0.074 16.717 1.123 788 HH21 ARG 103 2HH1 ARG 103 0.369 16.707 -2.371 789 HH22 ARG 103 1HH1 ARG 103 0.627 17.596 -0.908 790 H ALA 104 H ALA 104 -1.343 9.962 -5.740 791 HA ALA 104 HA ALA 104 -3.470 8.648 -4.191 792 HB1 ALA 104 1HB ALA 104 -3.411 9.650 -7.040 793 HB2 ALA 104 2HB ALA 104 -4.440 8.268 -6.595 794 HB3 ALA 104 3HB ALA 104 -4.676 9.844 -5.803 795 H PHE 105 H PHE 105 -2.471 6.780 -3.534 796 HA PHE 105 HA PHE 105 -0.984 5.323 -5.601 797 HB2 PHE 105 1HB PHE 105 0.449 5.794 -3.718 798 HB3 PHE 105 2HB PHE 105 -0.862 5.621 -2.569 799 HD1 PHE 105 1HD PHE 105 1.071 3.577 -5.024 800 HD2 PHE 105 2HD PHE 105 -0.974 3.689 -1.307 801 HE1 PHE 105 1HE PHE 105 1.791 1.219 -4.556 802 HE2 PHE 105 2HE PHE 105 -0.253 1.331 -0.840 803 HZ PHE 105 HZ PHE 105 1.121 0.124 -2.470 804 H SER 106 H SER 106 -1.488 3.157 -6.033 805 HA SER 106 HA SER 106 -3.470 1.906 -4.370 806 HB2 SER 106 1HB SER 106 -3.987 2.046 -7.359 807 HB3 SER 106 2HB SER 106 -5.083 1.520 -6.096 808 HG SER 106 HG SER 106 -4.329 4.167 -6.859 809 H TYR 107 H TYR 107 -3.720 -0.466 -4.964 810 HA TYR 107 HA TYR 107 -1.626 -1.484 -6.707 811 HB2 TYR 107 1HB TYR 107 -0.709 -2.836 -4.862 812 HB3 TYR 107 2HB TYR 107 -0.784 -1.186 -4.278 813 HD1 TYR 107 1HD TYR 107 -2.840 -4.323 -4.335 814 HD2 TYR 107 2HD TYR 107 -1.784 -0.759 -2.216 815 HE1 TYR 107 1HE TYR 107 -4.232 -5.083 -2.347 816 HE2 TYR 107 2HE TYR 107 -3.179 -1.532 -0.236 817 HH TYR 107 HH TYR 107 -5.453 -3.463 -0.280 818 H ILE 108 H ILE 108 -1.988 -3.683 -7.385 819 HA ILE 108 HA ILE 108 -4.790 -4.414 -7.143 820 HB ILE 108 HB ILE 108 -2.660 -5.625 -8.902 821 HG12 ILE 108 1HG1 ILE 108 -4.424 -3.213 -9.377 822 HG13 ILE 108 2HG1 ILE 108 -2.675 -3.294 -9.431 823 HG21 ILE 108 1HG2 ILE 108 -4.935 -6.781 -8.398 824 HG22 ILE 108 2HG2 ILE 108 -5.607 -5.535 -9.476 825 HG23 ILE 108 3HG2 ILE 108 -4.363 -6.656 -10.079 826 HD11 ILE 108 1HD1 ILE 108 -2.756 -4.777 -11.399 827 HD12 ILE 108 2HD1 ILE 108 -4.533 -4.819 -11.314 828 HD13 ILE 108 3HD1 ILE 108 -3.697 -3.299 -11.713 829 H CYS 109 H CYS 109 -5.485 -6.524 -6.477 830 HA CYS 109 HA CYS 109 -3.523 -8.313 -5.408 831 HB2 CYS 109 1HB CYS 109 -4.154 -8.258 -3.117 832 HB3 CYS 109 2HB CYS 109 -3.811 -6.602 -3.577 833 HG CYS 109 HG CYS 109 -6.121 -5.699 -3.704 834 H ARG 110 H ARG 110 -4.609 -10.388 -4.741 835 HA ARG 110 HA ARG 110 -6.970 -10.726 -6.340 836 HB2 ARG 110 1HB ARG 110 -5.097 -12.352 -6.551 837 HB3 ARG 110 2HB ARG 110 -5.219 -12.744 -4.847 838 HG2 ARG 110 1HG ARG 110 -7.814 -13.008 -6.219 839 HG3 ARG 110 2HG ARG 110 -6.585 -14.017 -6.955 840 HD2 ARG 110 1HD ARG 110 -6.011 -14.883 -4.617 841 HD3 ARG 110 2HD ARG 110 -7.396 -13.998 -4.009 842 HE ARG 110 HE ARG 110 -8.780 -15.669 -4.864 843 HH11 ARG 110 2HH2 ARG 110 -5.708 -15.769 -6.578 844 HH12 ARG 110 1HH2 ARG 110 -6.113 -17.190 -7.482 845 HH21 ARG 110 2HH1 ARG 110 -9.315 -17.544 -6.057 846 HH22 ARG 110 1HH1 ARG 110 -8.178 -18.206 -7.183 847 H ASP 111 H ASP 111 -8.771 -9.970 -5.175 848 HA ASP 111 HA ASP 111 -9.113 -9.927 -2.524 849 HB2 ASP 111 1HB ASP 111 -10.660 -9.225 -4.572 850 HB3 ASP 111 2HB ASP 111 -11.423 -10.778 -4.292 851 H GLY 112 H GLY 112 -10.621 -11.360 -1.118 852 HA2 GLY 112 1HA GLY 112 -10.110 -14.203 -1.734 853 HA3 GLY 112 2HA GLY 112 -10.247 -13.508 -0.131 854 H THR 113 H THR 113 -12.517 -11.940 -0.206 855 HA THR 113 HA THR 113 -14.566 -13.743 0.132 856 HB THR 113 HB THR 113 -14.473 -11.401 1.011 857 HG1 THR 113 1HG THR 113 -16.660 -11.846 -0.891 858 HG21 THR 113 1HG2 THR 113 -15.322 -10.580 -1.810 859 HG22 THR 113 2HG2 THR 113 -15.019 -9.513 -0.418 860 HG23 THR 113 3HG2 THR 113 -13.663 -10.355 -1.205 861 H THR 114 H THR 114 -13.956 -11.657 -2.773 862 HA THR 114 HA THR 114 -15.870 -13.341 -4.220 863 HB THR 114 HB THR 114 -14.601 -10.611 -4.782 864 HG1 THR 114 1HG THR 114 -16.407 -10.078 -3.623 865 HG21 THR 114 1HG2 THR 114 -15.124 -11.675 -6.943 866 HG22 THR 114 2HG2 THR 114 -16.693 -12.239 -6.318 867 HG23 THR 114 3HG2 THR 114 -16.407 -10.500 -6.565 868 H ARG 115 H ARG 115 -12.795 -13.717 -3.389 869 HA ARG 115 HA ARG 115 -10.930 -14.344 -4.384 870 HB2 ARG 115 1HB ARG 115 -11.218 -16.526 -5.583 871 HB3 ARG 115 2HB ARG 115 -12.201 -16.443 -4.135 872 HG2 ARG 115 1HG ARG 115 -14.122 -15.609 -5.664 873 HG3 ARG 115 2HG ARG 115 -13.117 -16.085 -7.019 874 HD2 ARG 115 1HD ARG 115 -13.338 -18.180 -4.924 875 HD3 ARG 115 2HD ARG 115 -14.875 -17.762 -5.654 876 HE ARG 115 HE ARG 115 -12.836 -18.096 -7.686 877 HH11 ARG 115 2HH2 ARG 115 -14.961 -19.901 -5.539 878 HH12 ARG 115 1HH2 ARG 115 -15.003 -21.305 -6.552 879 HH21 ARG 115 2HH1 ARG 115 -12.892 -19.947 -9.024 880 HH22 ARG 115 1HH1 ARG 115 -13.819 -21.331 -8.548 881 H ARG 116 H ARG 116 -11.948 -12.045 -5.769 882 HA ARG 116 HA ARG 116 -11.326 -12.767 -8.520 883 HB2 ARG 116 1HB ARG 116 -12.665 -10.825 -9.229 884 HB3 ARG 116 2HB ARG 116 -13.636 -11.843 -8.184 885 HG2 ARG 116 1HG ARG 116 -13.814 -10.227 -6.579 886 HG3 ARG 116 2HG ARG 116 -12.108 -9.834 -6.657 887 HD2 ARG 116 1HD ARG 116 -13.750 -7.977 -7.386 888 HD3 ARG 116 2HD ARG 116 -12.413 -8.305 -8.471 889 HE ARG 116 HE ARG 116 -13.911 -9.313 -10.025 890 HH11 ARG 116 2HH2 ARG 116 -15.565 -8.392 -7.059 891 HH12 ARG 116 1HH2 ARG 116 -17.150 -8.569 -7.737 892 HH21 ARG 116 2HH1 ARG 116 -16.001 -9.547 -10.920 893 HH22 ARG 116 1HH1 ARG 116 -17.399 -9.231 -9.947 894 H TRP 117 H TRP 117 -10.817 -10.174 -9.542 895 HA TRP 117 HA TRP 117 -8.318 -9.574 -8.160 896 HB2 TRP 117 1HB TRP 117 -9.217 -8.584 -10.862 897 HB3 TRP 117 2HB TRP 117 -7.599 -8.569 -10.189 898 HD1 TRP 117 HD TRP 117 -10.025 -10.875 -12.019 899 HE1 TRP 117 1HE TRP 117 -8.879 -13.145 -12.723 900 HE3 TRP 117 3HE TRP 117 -5.758 -10.156 -9.348 901 HZ2 TRP 117 2HZ TRP 117 -6.372 -14.358 -12.098 902 HZ3 TRP 117 3HZ TRP 117 -4.011 -11.932 -9.450 903 HH2 TRP 117 HH TRP 117 -4.266 -13.977 -10.765 904 H ILE 118 H ILE 118 -8.373 -7.927 -6.694 905 HA ILE 118 HA ILE 118 -10.215 -5.713 -7.276 906 HB ILE 118 HB ILE 118 -9.615 -7.084 -4.662 907 HG12 ILE 118 1HG1 ILE 118 -11.450 -7.886 -6.279 908 HG13 ILE 118 2HG1 ILE 118 -11.868 -7.647 -4.594 909 HG21 ILE 118 1HG2 ILE 118 -10.676 -4.316 -5.178 910 HG22 ILE 118 2HG2 ILE 118 -11.180 -5.240 -3.743 911 HG23 ILE 118 3HG2 ILE 118 -9.459 -4.862 -4.000 912 HD11 ILE 118 1HD1 ILE 118 -12.675 -5.307 -5.201 913 HD12 ILE 118 2HD1 ILE 118 -12.430 -5.743 -6.909 914 HD13 ILE 118 3HD1 ILE 118 -13.618 -6.631 -5.925 915 H CYS 119 H CYS 119 -9.452 -3.593 -6.778 916 HA CYS 119 HA CYS 119 -6.558 -3.527 -6.313 917 HB2 CYS 119 1HB CYS 119 -7.195 -2.927 -8.649 918 HB3 CYS 119 2HB CYS 119 -8.168 -1.608 -8.030 919 HG CYS 119 HG CYS 119 -6.429 -0.072 -7.310 920 H HIS 120 H HIS 120 -5.862 -2.114 -4.678 921 HA HIS 120 HA HIS 120 -8.018 -0.670 -3.320 922 HB2 HIS 120 1HB HIS 120 -5.571 -2.103 -2.321 923 HB3 HIS 120 2HB HIS 120 -6.258 -0.794 -1.380 924 HD1 HIS 120 1HD HIS 120 -8.523 -1.213 -0.189 925 HD2 HIS 120 2HD HIS 120 -7.188 -4.450 -2.499 926 HE1 HIS 120 1HE HIS 120 -9.995 -3.199 0.444 927 H CYS 121 H CYS 121 -7.783 1.527 -2.881 928 HA CYS 121 HA CYS 121 -5.325 2.713 -3.951 929 HB2 CYS 121 1HB CYS 121 -8.061 4.021 -3.958 930 HB3 CYS 121 2HB CYS 121 -6.595 4.616 -4.710 931 HG CYS 121 HG CYS 121 -8.618 2.166 -5.475 932 H PHE 122 H PHE 122 -4.612 4.696 -2.793 933 HA PHE 122 HA PHE 122 -5.904 5.194 -0.249 934 HB2 PHE 122 1HB PHE 122 -2.961 4.372 -0.632 935 HB3 PHE 122 2HB PHE 122 -3.651 4.885 0.895 936 HD1 PHE 122 2HD PHE 122 -3.738 2.219 -1.662 937 HD2 PHE 122 1HD PHE 122 -4.839 3.365 2.272 938 HE1 PHE 122 2HE PHE 122 -4.361 -0.157 -1.145 939 HE2 PHE 122 1HE PHE 122 -5.463 0.989 2.790 940 HZ PHE 122 HZ PHE 122 -5.216 -0.743 1.075 941 H MET 123 H MET 123 -6.104 7.375 -0.130 942 HA MET 123 HA MET 123 -4.346 8.972 -1.741 943 HB2 MET 123 1HB MET 123 -6.981 9.238 -0.368 944 HB3 MET 123 2HB MET 123 -6.015 10.698 -0.286 945 HG2 MET 123 1HG MET 123 -6.031 9.431 -2.976 946 HG3 MET 123 2HG MET 123 -7.613 9.960 -2.439 947 HE1 MET 123 1HE MET 123 -4.669 11.402 -4.525 948 HE2 MET 123 2HE MET 123 -6.330 10.846 -4.838 949 HE3 MET 123 3HE MET 123 -5.944 12.582 -4.909 950 H ALA 124 H ALA 124 -2.315 9.231 -0.836 951 HA ALA 124 HA ALA 124 -1.645 9.160 1.795 952 HB1 ALA 124 1HB ALA 124 -0.341 9.553 -0.562 953 HB2 ALA 124 2HB ALA 124 -0.222 11.184 0.141 954 HB3 ALA 124 3HB ALA 124 0.415 9.781 1.033 955 H VAL 125 H VAL 125 -1.240 10.780 3.436 956 HA VAL 125 HA VAL 125 -3.239 12.867 3.347 957 HB VAL 125 HB VAL 125 -1.416 11.730 5.459 958 HG11 VAL 125 1HG1 VAL 125 -3.127 13.383 6.833 959 HG12 VAL 125 2HG1 VAL 125 -1.433 13.758 6.437 960 HG13 VAL 125 3HG1 VAL 125 -2.745 14.358 5.394 961 HG21 VAL 125 1HG2 VAL 125 -4.354 11.916 5.832 962 HG22 VAL 125 2HG2 VAL 125 -3.799 10.811 4.551 963 HG23 VAL 125 3HG2 VAL 125 -3.225 10.597 6.223 964 H LYS 126 H LYS 126 0.289 12.702 4.229 965 HA LYS 126 HA LYS 126 0.592 15.269 2.848 966 HB2 LYS 126 1HB LYS 126 2.029 16.078 4.658 967 HB3 LYS 126 2HB LYS 126 0.398 15.771 5.219 968 HG2 LYS 126 1HG LYS 126 1.223 13.445 5.968 969 HG3 LYS 126 2HG LYS 126 2.849 14.004 5.635 970 HD2 LYS 126 1HD LYS 126 2.362 15.995 7.194 971 HD3 LYS 126 2HD LYS 126 0.883 15.175 7.652 972 HE2 LYS 126 1HE LYS 126 2.359 13.125 8.225 973 HE3 LYS 126 2HE LYS 126 3.741 14.188 8.048 974 HZ1 LYS 126 1HZ LYS 126 2.541 15.665 9.673 975 HZ2 LYS 126 2HZ LYS 126 1.560 14.398 9.986 976 HZ3 LYS 126 3HZ LYS 126 3.164 14.280 10.274 977 H ASP 127 H ASP 127 1.031 12.750 1.678 978 HA ASP 127 HA ASP 127 3.904 12.919 1.399 979 HB2 ASP 127 1HB ASP 127 2.559 10.202 1.451 980 HB3 ASP 127 2HB ASP 127 4.262 10.574 1.629 981 H THR 128 H THR 128 4.527 11.428 -0.644 982 HA THR 128 HA THR 128 2.435 11.875 -2.660 983 HB THR 128 HB THR 128 4.632 13.100 -2.889 984 HG1 THR 128 1HG THR 128 4.057 10.854 -4.692 985 HG21 THR 128 1HG2 THR 128 6.586 11.695 -3.676 986 HG22 THR 128 2HG2 THR 128 6.206 11.438 -1.956 987 HG23 THR 128 3HG2 THR 128 5.694 10.240 -3.169 988 H GLY 129 H GLY 129 1.902 10.275 -4.189 989 HA2 GLY 129 1HA GLY 129 1.447 7.766 -3.327 990 HA3 GLY 129 2HA GLY 129 1.709 8.175 -5.011 991 H GLU 130 H GLU 130 4.480 8.966 -4.894 992 HA GLU 130 HA GLU 130 5.718 6.620 -5.343 993 HB2 GLU 130 1HB GLU 130 6.443 9.359 -5.210 994 HB3 GLU 130 2HB GLU 130 7.604 8.529 -4.192 995 HG2 GLU 130 1HG GLU 130 8.267 7.045 -5.991 996 HG3 GLU 130 2HG GLU 130 6.913 7.536 -6.990 997 H ARG 131 H ARG 131 6.381 8.612 -2.367 998 HA ARG 131 HA ARG 131 7.807 6.943 -0.960 999 HB2 ARG 131 1HB ARG 131 5.437 8.612 -0.005 1000 HB3 ARG 131 2HB ARG 131 6.508 7.804 1.124 1001 HG2 ARG 131 1HG ARG 131 8.363 9.040 -0.471 1002 HG3 ARG 131 2HG ARG 131 7.033 10.170 -0.633 1003 HD2 ARG 131 1HD ARG 131 7.548 9.246 2.160 1004 HD3 ARG 131 2HD ARG 131 8.843 10.190 1.451 1005 HE ARG 131 HE ARG 131 6.652 11.701 0.804 1006 HH11 ARG 131 2HH2 ARG 131 7.699 10.259 3.838 1007 HH12 ARG 131 1HH2 ARG 131 6.962 11.480 4.821 1008 HH21 ARG 131 2HH1 ARG 131 5.679 13.312 2.100 1009 HH22 ARG 131 1HH1 ARG 131 5.806 13.229 3.826 1010 H LEU 132 H LEU 132 4.237 6.698 -1.414 1011 HA LEU 132 HA LEU 132 3.908 4.527 0.365 1012 HB2 LEU 132 1HB LEU 132 2.230 5.696 -1.848 1013 HB3 LEU 132 2HB LEU 132 1.719 4.300 -0.920 1014 HG LEU 132 HG LEU 132 2.278 5.964 1.120 1015 HD11 LEU 132 1HD1 LEU 132 2.749 8.020 0.393 1016 HD12 LEU 132 2HD1 LEU 132 2.165 7.672 -1.252 1017 HD13 LEU 132 3HD1 LEU 132 1.014 8.152 0.018 1018 HD21 LEU 132 1HD2 LEU 132 -0.369 6.484 -0.101 1019 HD22 LEU 132 2HD2 LEU 132 0.064 4.774 0.135 1020 HD23 LEU 132 3HD2 LEU 132 0.061 5.890 1.521 1021 H SER 133 H SER 133 4.156 4.768 -3.248 1022 HA SER 133 HA SER 133 3.976 2.056 -3.687 1023 HB2 SER 133 1HB SER 133 4.692 2.532 -5.911 1024 HB3 SER 133 2HB SER 133 3.848 3.974 -5.382 1025 HG SER 133 HG SER 133 6.203 4.614 -4.656 1026 H HIS 134 H HIS 134 6.498 3.956 -2.250 1027 HA HIS 134 HA HIS 134 8.637 2.222 -3.019 1028 HB2 HIS 134 1HB HIS 134 9.701 4.121 -2.559 1029 HB3 HIS 134 2HB HIS 134 8.312 4.785 -1.723 1030 HD1 HIS 134 1HD HIS 134 11.557 2.983 -1.123 1031 HD2 HIS 134 2HD HIS 134 8.333 4.486 1.102 1032 HE1 HIS 134 1HE HIS 134 12.300 2.960 1.317 1033 H ALA 135 H ALA 135 6.932 2.976 0.106 1034 HA ALA 135 HA ALA 135 8.143 1.070 1.651 1035 HB1 ALA 135 1HB ALA 135 6.802 2.260 3.021 1036 HB2 ALA 135 2HB ALA 135 5.707 2.702 1.689 1037 HB3 ALA 135 3HB ALA 135 5.498 1.150 2.535 1038 H VAL 136 H VAL 136 4.973 0.719 -0.106 1039 HA VAL 136 HA VAL 136 4.594 -1.942 0.426 1040 HB VAL 136 HB VAL 136 2.944 -0.437 -0.550 1041 HG11 VAL 136 1HG1 VAL 136 4.902 0.343 -2.291 1042 HG12 VAL 136 2HG1 VAL 136 3.915 -0.715 -3.327 1043 HG13 VAL 136 3HG1 VAL 136 3.166 0.673 -2.502 1044 HG21 VAL 136 1HG2 VAL 136 2.440 -2.121 -2.635 1045 HG22 VAL 136 2HG2 VAL 136 3.571 -3.101 -1.672 1046 HG23 VAL 136 3HG2 VAL 136 2.073 -2.486 -0.932 1047 H GLY 137 H GLY 137 6.694 -0.360 -2.003 1048 HA2 GLY 137 1HA GLY 137 7.301 -2.753 -3.432 1049 HA3 GLY 137 2HA GLY 137 8.135 -1.214 -3.518 1050 H CYS 138 H CYS 138 8.266 -1.447 -0.342 1051 HA CYS 138 HA CYS 138 10.884 -2.568 -0.370 1052 HB2 CYS 138 1HB CYS 138 9.208 -1.520 1.935 1053 HB3 CYS 138 2HB CYS 138 10.901 -1.962 2.036 1054 HG CYS 138 HG CYS 138 11.258 -0.367 -0.333 1055 H ALA 139 H ALA 139 7.737 -3.307 1.310 1056 HA ALA 139 HA ALA 139 8.550 -5.662 2.510 1057 HB1 ALA 139 1HB ALA 139 6.506 -5.210 3.347 1058 HB2 ALA 139 2HB ALA 139 6.072 -4.216 1.935 1059 HB3 ALA 139 3HB ALA 139 5.839 -5.980 1.887 1060 H PHE 140 H PHE 140 6.976 -5.107 -0.712 1061 HA PHE 140 HA PHE 140 6.703 -7.696 -1.501 1062 HB2 PHE 140 1HB PHE 140 6.464 -5.135 -2.562 1063 HB3 PHE 140 2HB PHE 140 7.846 -5.716 -3.470 1064 HD1 PHE 140 1HD PHE 140 4.433 -6.872 -2.478 1065 HD2 PHE 140 2HD PHE 140 7.440 -6.785 -5.470 1066 HE1 PHE 140 1HE PHE 140 2.892 -8.064 -4.061 1067 HE2 PHE 140 2HE PHE 140 5.900 -7.977 -7.053 1068 HZ PHE 140 HZ PHE 140 3.645 -8.603 -6.329 1069 H ALA 141 H ALA 141 9.579 -5.559 -2.156 1070 HA ALA 141 HA ALA 141 11.114 -7.502 -3.386 1071 HB1 ALA 141 1HB ALA 141 13.002 -5.998 -2.834 1072 HB2 ALA 141 2HB ALA 141 11.591 -5.085 -3.420 1073 HB3 ALA 141 3HB ALA 141 11.965 -5.126 -1.680 1074 H ALA 142 H ALA 142 10.585 -6.744 0.082 1075 HA ALA 142 HA ALA 142 12.645 -8.418 1.035 1076 HB1 ALA 142 1HB ALA 142 11.722 -7.956 3.174 1077 HB2 ALA 142 2HB ALA 142 11.399 -6.495 2.209 1078 HB3 ALA 142 3HB ALA 142 10.097 -7.674 2.502 1079 H CYS 143 H CYS 143 9.031 -8.867 1.046 1080 HA CYS 143 HA CYS 143 9.038 -11.474 1.844 1081 HB2 CYS 143 1HB CYS 143 7.039 -9.969 1.601 1082 HB3 CYS 143 2HB CYS 143 7.080 -10.254 -0.127 1083 HG CYS 143 HG CYS 143 7.422 -12.903 1.685 1084 H LEU 144 H LEU 144 9.378 -10.041 -1.457 1085 HA LEU 144 HA LEU 144 9.398 -12.521 -2.799 1086 HB2 LEU 144 1HB LEU 144 10.225 -9.719 -3.509 1087 HB3 LEU 144 2HB LEU 144 10.497 -11.055 -4.610 1088 HG LEU 144 HG LEU 144 7.838 -10.038 -3.585 1089 HD11 LEU 144 1HD1 LEU 144 8.474 -8.627 -5.312 1090 HD12 LEU 144 2HD1 LEU 144 9.271 -9.930 -6.226 1091 HD13 LEU 144 3HD1 LEU 144 7.495 -9.856 -6.149 1092 HD21 LEU 144 1HD2 LEU 144 7.196 -11.881 -5.493 1093 HD22 LEU 144 2HD2 LEU 144 8.566 -12.673 -4.677 1094 HD23 LEU 144 3HD2 LEU 144 7.143 -12.163 -3.736 1095 H GLU 145 H GLU 145 11.914 -10.437 -1.314 1096 HA GLU 145 HA GLU 145 14.140 -11.504 -2.363 1097 HB2 GLU 145 1HB GLU 145 13.445 -9.964 -0.058 1098 HB3 GLU 145 2HB GLU 145 14.524 -11.227 0.500 1099 HG2 GLU 145 1HG GLU 145 15.735 -10.392 -1.882 1100 HG3 GLU 145 2HG GLU 145 15.096 -8.896 -1.230 1101 H ARG 146 H ARG 146 11.852 -13.026 -0.129 1102 HA ARG 146 HA ARG 146 13.602 -15.037 0.727 1103 HB2 ARG 146 1HB ARG 146 10.608 -14.593 0.787 1104 HB3 ARG 146 2HB ARG 146 11.215 -16.191 1.174 1105 HG2 ARG 146 1HG ARG 146 11.273 -15.246 3.296 1106 HG3 ARG 146 2HG ARG 146 12.888 -14.829 2.758 1107 HD2 ARG 146 1HD ARG 146 12.179 -12.572 2.131 1108 HD3 ARG 146 2HD ARG 146 10.492 -12.971 2.388 1109 HE ARG 146 HE ARG 146 10.793 -12.608 4.676 1110 HH11 ARG 146 2HH2 ARG 146 13.934 -13.181 3.197 1111 HH12 ARG 146 1HH2 ARG 146 14.821 -12.834 4.644 1112 HH21 ARG 146 2HH1 ARG 146 11.962 -12.150 6.585 1113 HH22 ARG 146 1HH1 ARG 146 13.692 -12.244 6.584 1114 H LYS 147 H LYS 147 11.273 -14.655 -1.978 1115 HA LYS 147 HA LYS 147 11.675 -17.401 -2.807 1116 HB2 LYS 147 1HB LYS 147 10.119 -15.354 -4.362 1117 HB3 LYS 147 2HB LYS 147 9.876 -17.086 -4.250 1118 HG2 LYS 147 1HG LYS 147 9.443 -16.577 -1.675 1119 HG3 LYS 147 2HG LYS 147 9.161 -14.941 -2.234 1120 HD2 LYS 147 1HD LYS 147 7.735 -17.409 -3.336 1121 HD3 LYS 147 2HD LYS 147 7.063 -16.339 -2.122 1122 HE2 LYS 147 1HE LYS 147 7.896 -14.599 -4.188 1123 HE3 LYS 147 2HE LYS 147 7.221 -15.976 -5.035 1124 HZ1 LYS 147 1HZ LYS 147 5.203 -15.414 -4.379 1125 HZ2 LYS 147 2HZ LYS 147 5.635 -15.206 -2.818 1126 HZ3 LYS 147 3HZ LYS 147 5.815 -13.983 -3.885 1127 H GLN 148 H GLN 148 12.135 -14.078 -4.209 1128 HA GLN 148 HA GLN 148 14.120 -15.290 -5.957 1129 HB2 GLN 148 1HB GLN 148 13.832 -13.284 -7.377 1130 HB3 GLN 148 2HB GLN 148 12.301 -14.094 -7.110 1131 HG2 GLN 148 1HG GLN 148 11.422 -12.327 -5.947 1132 HG3 GLN 148 2HG GLN 148 12.898 -12.065 -5.039 1133 HE21 GLN 148 1HE2 GLN 148 12.995 -9.896 -5.265 1134 HE22 GLN 148 2HE2 GLN 148 13.284 -9.067 -6.758 1135 H LYS 149 H LYS 149 15.958 -13.562 -6.561 1136 HA LYS 149 HA LYS 149 16.714 -12.083 -4.160 1137 HB2 LYS 149 1HB LYS 149 18.419 -14.185 -5.524 1138 HB3 LYS 149 2HB LYS 149 19.043 -13.006 -4.388 1139 HG2 LYS 149 1HG LYS 149 16.763 -14.090 -3.104 1140 HG3 LYS 149 2HG LYS 149 17.536 -15.468 -3.862 1141 HD2 LYS 149 1HD LYS 149 19.740 -14.220 -2.816 1142 HD3 LYS 149 2HD LYS 149 18.532 -13.706 -1.656 1143 HE2 LYS 149 1HE LYS 149 17.956 -16.431 -1.998 1144 HE3 LYS 149 2HE LYS 149 19.706 -16.386 -2.076 1145 HZ1 LYS 149 1HZ LYS 149 18.159 -16.228 0.169 1146 HZ2 LYS 149 2HZ LYS 149 19.777 -16.020 0.080 1147 HZ3 LYS 149 3HZ LYS 149 18.781 -14.729 -0.009 1148 H ARG 150 H ARG 150 15.594 -10.711 -6.113 1149 HA ARG 150 HA ARG 150 17.632 -10.012 -8.020 1150 HB2 ARG 150 1HB ARG 150 14.714 -9.846 -7.874 1151 HB3 ARG 150 2HB ARG 150 15.378 -8.281 -8.298 1152 HG2 ARG 150 1HG ARG 150 16.230 -10.847 -9.707 1153 HG3 ARG 150 2HG ARG 150 14.870 -9.887 -10.254 1154 HD2 ARG 150 1HD ARG 150 16.926 -7.989 -9.903 1155 HD3 ARG 150 2HD ARG 150 17.755 -9.380 -10.572 1156 HE ARG 150 HE ARG 150 15.429 -9.095 -12.122 1157 HH11 ARG 150 2HH2 ARG 150 18.243 -7.124 -11.362 1158 HH12 ARG 150 1HH2 ARG 150 18.209 -6.268 -12.868 1159 HH21 ARG 150 2HH1 ARG 150 15.383 -7.966 -14.108 1160 HH22 ARG 150 1HH1 ARG 150 16.571 -6.750 -14.440 1161 H SER 151 H SER 151 18.355 -7.743 -8.290 1162 HA SER 151 HA SER 151 18.653 -6.496 -5.746 1163 HB2 SER 151 1HB SER 151 20.064 -6.543 -8.244 1164 HB3 SER 151 2HB SER 151 19.655 -4.870 -7.920 1165 HG SER 151 HG SER 151 20.672 -6.370 -5.731 1166 H GLY 152 H GLY 152 17.339 -5.544 -9.005 1167 HA2 GLY 152 1HA GLY 152 16.042 -3.770 -9.587 1168 HA3 GLY 152 2HA GLY 152 14.991 -4.460 -8.367 1169 HA PRO 153 HA PRO 153 17.384 -0.814 -6.455 1170 HB2 PRO 153 1HB PRO 153 18.603 0.948 -8.151 1171 HB3 PRO 153 2HB PRO 153 19.459 -0.345 -7.335 1172 HG2 PRO 153 1HG PRO 153 18.637 -0.167 -10.168 1173 HG3 PRO 153 2HG PRO 153 19.834 -1.217 -9.437 1174 HD2 PRO 153 1HD PRO 153 17.186 -1.948 -10.261 1175 HD3 PRO 153 2HD PRO 153 18.343 -2.966 -9.425 1176 H SER 154 H SER 154 17.077 1.697 -6.346 1177 HA SER 154 HA SER 154 15.054 2.632 -8.063 1178 HB2 SER 154 1HB SER 154 14.000 1.010 -6.146 1179 HB3 SER 154 2HB SER 154 14.022 2.517 -5.253 1180 HG SER 154 HG SER 154 13.018 3.326 -7.484 1181 H SER 155 H SER 155 16.843 4.224 -8.166 1182 HA SER 155 HA SER 155 17.445 5.645 -5.770 1183 HB2 SER 155 1HB SER 155 18.429 5.561 -8.574 1184 HB3 SER 155 2HB SER 155 18.513 7.147 -7.833 1185 HG SER 155 HG SER 155 20.284 5.245 -7.536 1186 H GLY 156 H GLY 156 15.997 6.500 -9.004 1187 HA2 GLY 156 1HA GLY 156 13.739 7.705 -8.425 1188 HA3 GLY 156 2HA GLY 156 14.849 8.923 -7.829 Start of MODEL 13 1 H1 GLY 1 H GLY 1 25.750 -23.571 -4.226 2 HA2 GLY 1 1HA GLY 1 24.986 -21.554 -5.877 3 HA3 GLY 1 2HA GLY 1 23.570 -21.808 -4.877 4 H SER 2 H SER 2 26.897 -20.651 -4.995 5 HA SER 2 HA SER 2 26.659 -19.921 -2.182 6 HB2 SER 2 1HB SER 2 29.102 -19.833 -2.103 7 HB3 SER 2 2HB SER 2 28.596 -21.393 -2.723 8 HG SER 2 HG SER 2 29.710 -19.164 -4.169 9 H SER 3 H SER 3 25.526 -17.941 -2.446 10 HA SER 3 HA SER 3 27.127 -15.760 -3.151 11 HB2 SER 3 1HB SER 3 26.467 -16.573 -5.453 12 HB3 SER 3 2HB SER 3 24.788 -16.300 -5.032 13 HG SER 3 HG SER 3 26.688 -14.169 -4.729 14 H GLY 4 H GLY 4 25.678 -13.640 -3.079 15 HA2 GLY 4 1HA GLY 4 23.169 -13.335 -2.280 16 HA3 GLY 4 2HA GLY 4 23.878 -13.973 -0.810 17 H SER 5 H SER 5 23.051 -11.140 -2.315 18 HA SER 5 HA SER 5 25.127 -9.720 -0.848 19 HB2 SER 5 1HB SER 5 25.242 -8.019 -2.601 20 HB3 SER 5 2HB SER 5 25.586 -9.592 -3.294 21 HG SER 5 HG SER 5 23.189 -8.013 -3.527 22 H SER 6 H SER 6 24.366 -7.286 -0.519 23 HA SER 6 HA SER 6 21.645 -6.739 -0.657 24 HB2 SER 6 1HB SER 6 21.420 -8.414 1.129 25 HB3 SER 6 2HB SER 6 22.664 -7.624 2.077 26 HG SER 6 HG SER 6 21.202 -5.673 2.028 27 H GLY 7 H GLY 7 21.241 -4.522 -0.068 28 HA2 GLY 7 1HA GLY 7 22.435 -2.805 1.532 29 HA3 GLY 7 2HA GLY 7 23.689 -2.972 0.319 30 H ALA 8 H ALA 8 21.695 -0.721 1.123 31 HA ALA 8 HA ALA 8 20.901 -0.135 -1.636 32 HB1 ALA 8 1HB ALA 8 18.834 -0.795 -0.727 33 HB2 ALA 8 2HB ALA 8 19.204 -0.097 0.868 34 HB3 ALA 8 3HB ALA 8 18.832 0.971 -0.506 35 H SER 9 H SER 9 20.293 2.337 -1.754 36 HA SER 9 HA SER 9 21.820 3.852 0.166 37 HB2 SER 9 1HB SER 9 22.331 4.134 -2.826 38 HB3 SER 9 2HB SER 9 23.142 5.006 -1.540 39 HG SER 9 HG SER 9 24.520 3.388 -1.361 40 H ARG 10 H ARG 10 19.612 4.538 0.749 41 HA ARG 10 HA ARG 10 18.647 6.508 -1.156 42 HB2 ARG 10 1HB ARG 10 17.064 4.391 0.347 43 HB3 ARG 10 2HB ARG 10 16.286 5.885 -0.134 44 HG2 ARG 10 1HG ARG 10 17.836 4.174 -2.122 45 HG3 ARG 10 2HG ARG 10 16.141 3.886 -1.783 46 HD2 ARG 10 1HD ARG 10 15.980 6.547 -2.243 47 HD3 ARG 10 2HD ARG 10 17.429 6.228 -3.175 48 HE ARG 10 HE ARG 10 15.507 4.233 -3.853 49 HH11 ARG 10 2HH2 ARG 10 15.993 7.700 -4.211 50 HH12 ARG 10 1HH2 ARG 10 15.067 7.808 -5.671 51 HH21 ARG 10 2HH1 ARG 10 14.285 4.375 -5.779 52 HH22 ARG 10 1HH1 ARG 10 14.089 5.904 -6.568 53 HA PRO 11 HA PRO 11 18.607 9.063 2.379 54 HB2 PRO 11 1HB PRO 11 16.872 11.034 1.620 55 HB3 PRO 11 2HB PRO 11 18.544 10.976 1.099 56 HG2 PRO 11 1HG PRO 11 16.102 10.324 -0.434 57 HG3 PRO 11 2HG PRO 11 17.710 10.683 -1.031 58 HD2 PRO 11 1HD PRO 11 16.486 8.095 -0.843 59 HD3 PRO 11 2HD PRO 11 18.133 8.443 -1.331 60 H HIS 12 H HIS 12 16.657 10.642 3.546 61 HA HIS 12 HA HIS 12 15.301 8.591 4.965 62 HB2 HIS 12 1HB HIS 12 15.440 11.589 5.119 63 HB3 HIS 12 2HB HIS 12 14.200 10.733 6.013 64 HD1 HIS 12 1HD HIS 12 17.939 11.230 5.856 65 HD2 HIS 12 2HD HIS 12 15.105 9.268 8.246 66 HE1 HIS 12 1HE HIS 12 19.168 10.500 7.969 67 H GLN 13 H GLN 13 12.798 9.057 5.457 68 HA GLN 13 HA GLN 13 10.739 9.313 4.730 69 HB2 GLN 13 1HB GLN 13 12.039 11.042 2.972 70 HB3 GLN 13 2HB GLN 13 11.223 9.940 1.881 71 HG2 GLN 13 1HG GLN 13 9.109 10.626 2.534 72 HG3 GLN 13 2HG GLN 13 9.588 10.894 4.198 73 HE21 GLN 13 1HE2 GLN 13 8.769 12.896 4.442 74 HE22 GLN 13 2HE2 GLN 13 9.331 14.311 3.616 75 H TRP 14 H TRP 14 12.987 7.973 2.221 76 HA TRP 14 HA TRP 14 11.022 5.924 1.590 77 HB2 TRP 14 1HB TRP 14 13.741 6.444 0.376 78 HB3 TRP 14 2HB TRP 14 12.522 5.336 -0.222 79 HD1 TRP 14 HD TRP 14 12.442 9.167 0.633 80 HE1 TRP 14 1HE TRP 14 11.224 10.506 -1.287 81 HE3 TRP 14 3HE TRP 14 11.448 5.119 -2.279 82 HZ2 TRP 14 2HZ TRP 14 10.010 9.740 -3.753 83 HZ3 TRP 14 3HZ TRP 14 10.243 5.501 -4.427 84 HH2 TRP 14 HH TRP 14 9.530 7.715 -5.178 85 H GLN 15 H GLN 15 14.520 6.198 2.570 86 HA GLN 15 HA GLN 15 15.001 3.592 3.032 87 HB2 GLN 15 1HB GLN 15 16.843 5.049 3.218 88 HB3 GLN 15 2HB GLN 15 16.015 6.129 4.322 89 HG2 GLN 15 1HG GLN 15 16.584 4.891 6.173 90 HG3 GLN 15 2HG GLN 15 16.310 3.361 5.363 91 HE21 GLN 15 1HE2 GLN 15 18.560 5.929 6.028 92 HE22 GLN 15 2HE2 GLN 15 20.010 5.142 5.501 93 H THR 16 H THR 16 13.377 5.957 5.215 94 HA THR 16 HA THR 16 13.239 4.365 7.487 95 HB THR 16 HB THR 16 12.726 6.756 7.513 96 HG1 THR 16 1HG THR 16 11.502 5.419 9.000 97 HG21 THR 16 1HG2 THR 16 10.048 6.482 6.256 98 HG22 THR 16 2HG2 THR 16 11.240 7.795 6.095 99 HG23 THR 16 3HG2 THR 16 11.393 6.327 5.100 100 H ASP 17 H ASP 17 11.503 4.138 4.429 101 HA ASP 17 HA ASP 17 9.439 2.542 5.553 102 HB2 ASP 17 1HB ASP 17 10.305 2.981 2.656 103 HB3 ASP 17 2HB ASP 17 8.835 2.158 3.135 104 H GLU 18 H GLU 18 12.723 2.075 4.855 105 HA GLU 18 HA GLU 18 12.364 -0.651 3.949 106 HB2 GLU 18 1HB GLU 18 14.935 0.947 4.323 107 HB3 GLU 18 2HB GLU 18 14.800 -0.618 3.545 108 HG2 GLU 18 1HG GLU 18 13.043 0.589 1.979 109 HG3 GLU 18 2HG GLU 18 13.777 2.067 2.570 110 H GLU 19 H GLU 19 13.023 1.254 6.806 111 HA GLU 19 HA GLU 19 14.177 -1.022 8.158 112 HB2 GLU 19 1HB GLU 19 14.865 0.479 9.835 113 HB3 GLU 19 2HB GLU 19 14.981 1.446 8.379 114 HG2 GLU 19 1HG GLU 19 12.636 2.323 8.857 115 HG3 GLU 19 2HG GLU 19 12.677 1.465 10.384 116 H GLY 20 H GLY 20 11.261 1.096 8.186 117 HA2 GLY 20 1HA GLY 20 10.038 -0.089 10.448 118 HA3 GLY 20 2HA GLY 20 9.269 0.892 9.216 119 H VAL 21 H VAL 21 10.754 -1.389 7.371 120 HA VAL 21 HA VAL 21 8.347 -3.046 7.356 121 HB VAL 21 HB VAL 21 8.910 -1.920 5.291 122 HG11 VAL 21 1HG1 VAL 21 11.204 -1.495 5.327 123 HG12 VAL 21 2HG1 VAL 21 11.614 -3.181 5.720 124 HG13 VAL 21 3HG1 VAL 21 11.054 -2.760 4.084 125 HG21 VAL 21 1HG2 VAL 21 9.566 -4.871 5.023 126 HG22 VAL 21 2HG2 VAL 21 7.924 -4.221 5.251 127 HG23 VAL 21 3HG2 VAL 21 8.852 -3.804 3.790 128 H ARG 22 H ARG 22 11.793 -3.021 8.089 129 HA ARG 22 HA ARG 22 11.832 -5.902 8.121 130 HB2 ARG 22 1HB ARG 22 14.229 -5.704 8.390 131 HB3 ARG 22 2HB ARG 22 13.767 -4.496 7.208 132 HG2 ARG 22 1HG ARG 22 14.673 -2.879 8.508 133 HG3 ARG 22 2HG ARG 22 13.514 -3.245 9.770 134 HD2 ARG 22 1HD ARG 22 15.832 -5.134 9.543 135 HD3 ARG 22 2HD ARG 22 16.218 -3.514 10.087 136 HE ARG 22 HE ARG 22 13.915 -4.760 11.447 137 HH11 ARG 22 2HH2 ARG 22 17.382 -4.159 11.499 138 HH12 ARG 22 1HH2 ARG 22 17.534 -4.434 13.202 139 HH21 ARG 22 2HH1 ARG 22 14.114 -5.121 13.695 140 HH22 ARG 22 1HH1 ARG 22 15.662 -4.984 14.460 141 H THR 23 H THR 23 11.386 -3.139 10.216 142 HA THR 23 HA THR 23 11.910 -4.781 12.596 143 HB THR 23 HB THR 23 13.126 -2.593 12.370 144 HG1 THR 23 1HG THR 23 12.192 -1.824 14.483 145 HG21 THR 23 1HG2 THR 23 12.027 -0.716 11.677 146 HG22 THR 23 2HG2 THR 23 10.524 -1.657 11.526 147 HG23 THR 23 3HG2 THR 23 10.924 -0.860 13.066 148 H GLY 24 H GLY 24 9.418 -3.011 10.773 149 HA2 GLY 24 1HA GLY 24 7.177 -3.720 10.866 150 HA3 GLY 24 2HA GLY 24 7.411 -4.277 12.510 151 H LYS 25 H LYS 25 7.459 -1.262 10.495 152 HA LYS 25 HA LYS 25 5.665 0.100 12.087 153 HB2 LYS 25 1HB LYS 25 7.210 1.722 13.226 154 HB3 LYS 25 2HB LYS 25 7.182 0.110 13.912 155 HG2 LYS 25 1HG LYS 25 9.482 0.438 13.789 156 HG3 LYS 25 2HG LYS 25 9.212 -0.315 12.230 157 HD2 LYS 25 1HD LYS 25 9.409 1.721 11.051 158 HD3 LYS 25 2HD LYS 25 8.979 2.693 12.445 159 HE2 LYS 25 1HE LYS 25 11.516 1.039 12.531 160 HE3 LYS 25 2HE LYS 25 11.512 2.547 11.638 161 HZ1 LYS 25 1HZ LYS 25 11.510 2.140 14.433 162 HZ2 LYS 25 2HZ LYS 25 11.851 3.494 13.586 163 HZ3 LYS 25 3HZ LYS 25 10.306 3.150 13.987 164 H CYS 26 H CYS 26 6.233 -0.424 9.332 165 HA CYS 26 HA CYS 26 7.201 2.158 8.386 166 HB2 CYS 26 1HB CYS 26 8.327 0.388 7.283 167 HB3 CYS 26 2HB CYS 26 6.851 -0.526 7.039 168 HG CYS 26 HG CYS 26 6.784 2.527 5.970 169 H SER 27 H SER 27 5.084 3.037 9.371 170 HA SER 27 HA SER 27 2.959 2.643 7.412 171 HB2 SER 27 1HB SER 27 1.306 2.644 9.084 172 HB3 SER 27 2HB SER 27 2.588 1.703 9.819 173 HG SER 27 HG SER 27 3.268 3.590 10.994 174 H PHE 28 H PHE 28 1.688 4.574 6.904 175 HA PHE 28 HA PHE 28 2.751 7.063 7.989 176 HB2 PHE 28 1HB PHE 28 2.376 7.640 5.303 177 HB3 PHE 28 2HB PHE 28 3.934 7.209 5.980 178 HD1 PHE 28 1HD PHE 28 4.436 4.626 6.075 179 HD2 PHE 28 2HD PHE 28 1.554 6.411 3.522 180 HE1 PHE 28 1HE PHE 28 4.545 2.631 4.556 181 HE2 PHE 28 2HE PHE 28 1.663 4.416 2.003 182 HZ PHE 28 HZ PHE 28 3.157 2.549 2.539 183 HA PRO 29 HA PRO 29 -1.368 8.366 7.669 184 HB2 PRO 29 1HB PRO 29 -1.196 11.026 7.064 185 HB3 PRO 29 2HB PRO 29 -0.934 10.391 8.676 186 HG2 PRO 29 1HG PRO 29 1.058 11.365 6.721 187 HG3 PRO 29 2HG PRO 29 1.238 11.134 8.448 188 HD2 PRO 29 1HD PRO 29 2.240 9.425 6.375 189 HD3 PRO 29 2HD PRO 29 2.319 9.135 8.102 190 H VAL 30 H VAL 30 -2.730 7.487 6.249 191 HA VAL 30 HA VAL 30 -2.808 8.823 3.670 192 HB VAL 30 HB VAL 30 -2.438 6.962 2.377 193 HG11 VAL 30 1HG1 VAL 30 -0.645 6.535 4.791 194 HG12 VAL 30 2HG1 VAL 30 -0.361 5.879 3.161 195 HG13 VAL 30 3HG1 VAL 30 -0.341 7.639 3.428 196 HG21 VAL 30 1HG2 VAL 30 -2.490 4.629 3.179 197 HG22 VAL 30 2HG2 VAL 30 -2.892 5.207 4.814 198 HG23 VAL 30 3HG2 VAL 30 -4.032 5.469 3.472 199 H LYS 31 H LYS 31 -4.872 8.586 2.603 200 HA LYS 31 HA LYS 31 -6.953 7.816 4.509 201 HB2 LYS 31 1HB LYS 31 -7.019 9.626 2.077 202 HB3 LYS 31 2HB LYS 31 -8.424 9.204 3.034 203 HG2 LYS 31 1HG LYS 31 -7.530 10.279 5.008 204 HG3 LYS 31 2HG LYS 31 -5.932 10.417 4.300 205 HD2 LYS 31 1HD LYS 31 -6.888 11.961 2.539 206 HD3 LYS 31 2HD LYS 31 -8.442 11.875 3.345 207 HE2 LYS 31 1HE LYS 31 -7.504 12.874 5.388 208 HE3 LYS 31 2HE LYS 31 -5.883 12.812 4.725 209 HZ1 LYS 31 1HZ LYS 31 -7.883 14.204 3.170 210 HZ2 LYS 31 2HZ LYS 31 -7.374 14.931 4.540 211 HZ3 LYS 31 3HZ LYS 31 -6.299 14.546 3.373 212 H TYR 32 H TYR 32 -8.473 6.238 4.042 213 HA TYR 32 HA TYR 32 -7.746 4.472 1.871 214 HB2 TYR 32 1HB TYR 32 -8.337 3.762 4.249 215 HB3 TYR 32 2HB TYR 32 -9.922 4.484 4.056 216 HD1 TYR 32 1HD TYR 32 -8.355 2.643 1.280 217 HD2 TYR 32 2HD TYR 32 -11.068 2.395 4.579 218 HE1 TYR 32 1HE TYR 32 -9.253 0.439 0.385 219 HE2 TYR 32 2HE TYR 32 -11.957 0.192 3.672 220 HH TYR 32 HH TYR 32 -12.063 -0.830 1.214 221 H LEU 33 H LEU 33 -8.561 4.751 -0.142 222 HA LEU 33 HA LEU 33 -10.911 6.352 -0.508 223 HB2 LEU 33 1HB LEU 33 -9.044 4.898 -2.376 224 HB3 LEU 33 2HB LEU 33 -10.476 5.740 -2.934 225 HG LEU 33 HG LEU 33 -8.139 6.995 -1.467 226 HD11 LEU 33 1HD1 LEU 33 -7.730 6.242 -3.836 227 HD12 LEU 33 2HD1 LEU 33 -8.976 7.407 -4.345 228 HD13 LEU 33 3HD1 LEU 33 -7.499 7.981 -3.532 229 HD21 LEU 33 1HD2 LEU 33 -9.959 8.296 -0.823 230 HD22 LEU 33 2HD2 LEU 33 -9.331 9.145 -2.257 231 HD23 LEU 33 3HD2 LEU 33 -10.776 8.114 -2.394 232 H GLY 34 H GLY 34 -9.985 2.881 -0.692 233 HA2 GLY 34 1HA GLY 34 -12.023 1.562 0.148 234 HA3 GLY 34 2HA GLY 34 -12.791 2.210 -1.287 235 H HIS 35 H HIS 35 -13.045 0.274 -2.444 236 HA HIS 35 HA HIS 35 -10.577 -0.751 -3.555 237 HB2 HIS 35 1HB HIS 35 -11.587 -3.128 -3.207 238 HB3 HIS 35 2HB HIS 35 -10.662 -2.366 -1.928 239 HD1 HIS 35 1HD HIS 35 -11.756 -3.254 0.156 240 HD2 HIS 35 2HD HIS 35 -14.544 -1.802 -2.621 241 HE1 HIS 35 1HE HIS 35 -14.028 -3.335 1.315 242 H VAL 36 H VAL 36 -10.797 -1.294 -5.715 243 HA VAL 36 HA VAL 36 -13.544 -1.414 -6.735 244 HB VAL 36 HB VAL 36 -12.954 -0.015 -8.585 245 HG11 VAL 36 1HG1 VAL 36 -13.327 1.889 -7.454 246 HG12 VAL 36 2HG1 VAL 36 -13.259 0.877 -5.992 247 HG13 VAL 36 3HG1 VAL 36 -11.807 1.751 -6.538 248 HG21 VAL 36 1HG2 VAL 36 -10.203 0.391 -7.380 249 HG22 VAL 36 2HG2 VAL 36 -10.541 -0.779 -8.678 250 HG23 VAL 36 3HG2 VAL 36 -10.808 0.960 -8.954 251 H GLU 37 H GLU 37 -13.784 -2.688 -8.693 252 HA GLU 37 HA GLU 37 -11.898 -4.831 -8.705 253 HB2 GLU 37 1HB GLU 37 -14.553 -4.841 -8.975 254 HB3 GLU 37 2HB GLU 37 -14.177 -4.621 -10.673 255 HG2 GLU 37 1HG GLU 37 -12.470 -6.629 -10.248 256 HG3 GLU 37 2HG GLU 37 -13.503 -6.955 -8.870 257 H VAL 38 H VAL 38 -10.050 -4.748 -9.901 258 HA VAL 38 HA VAL 38 -9.554 -2.800 -11.815 259 HB VAL 38 HB VAL 38 -7.597 -4.198 -12.368 260 HG11 VAL 38 1HG1 VAL 38 -6.490 -3.918 -10.289 261 HG12 VAL 38 2HG1 VAL 38 -7.748 -2.659 -10.342 262 HG13 VAL 38 3HG1 VAL 38 -7.999 -4.128 -9.368 263 HG21 VAL 38 1HG2 VAL 38 -9.238 -6.270 -11.092 264 HG22 VAL 38 2HG2 VAL 38 -7.872 -6.422 -12.223 265 HG23 VAL 38 3HG2 VAL 38 -7.567 -6.216 -10.481 266 H ASP 39 H ASP 39 -8.474 -4.141 -14.060 267 HA ASP 39 HA ASP 39 -10.743 -5.568 -15.152 268 HB2 ASP 39 1HB ASP 39 -10.302 -2.863 -15.705 269 HB3 ASP 39 2HB ASP 39 -9.504 -3.656 -17.048 270 H GLU 40 H GLU 40 -7.382 -4.268 -15.515 271 HA GLU 40 HA GLU 40 -6.777 -6.446 -17.326 272 HB2 GLU 40 1HB GLU 40 -4.948 -4.157 -16.499 273 HB3 GLU 40 2HB GLU 40 -4.760 -5.220 -17.880 274 HG2 GLU 40 1HG GLU 40 -7.391 -3.893 -17.877 275 HG3 GLU 40 2HG GLU 40 -6.079 -2.731 -17.852 276 H SER 41 H SER 41 -6.223 -5.256 -14.036 277 HA SER 41 HA SER 41 -5.453 -6.299 -12.278 278 HB2 SER 41 1HB SER 41 -4.528 -8.666 -13.943 279 HB3 SER 41 2HB SER 41 -4.937 -8.644 -12.240 280 HG SER 41 HG SER 41 -6.601 -8.895 -14.474 281 H ARG 42 H ARG 42 -3.787 -5.181 -14.887 282 HA ARG 42 HA ARG 42 -1.407 -4.952 -13.377 283 HB2 ARG 42 1HB ARG 42 0.075 -5.919 -15.213 284 HB3 ARG 42 2HB ARG 42 -0.863 -7.113 -14.339 285 HG2 ARG 42 1HG ARG 42 -2.484 -6.170 -16.530 286 HG3 ARG 42 2HG ARG 42 -0.892 -6.530 -17.169 287 HD2 ARG 42 1HD ARG 42 -2.103 -8.536 -15.272 288 HD3 ARG 42 2HD ARG 42 -2.790 -8.436 -16.881 289 HE ARG 42 HE ARG 42 0.141 -8.564 -16.871 290 HH11 ARG 42 2HH2 ARG 42 -2.835 -10.441 -16.883 291 HH12 ARG 42 1HH2 ARG 42 -2.093 -11.853 -17.558 292 HH21 ARG 42 2HH1 ARG 42 1.121 -10.427 -17.761 293 HH22 ARG 42 1HH1 ARG 42 0.173 -11.845 -18.060 294 H GLY 43 H GLY 43 -0.497 -2.954 -13.870 295 HA2 GLY 43 1HA GLY 43 0.155 -1.668 -16.008 296 HA3 GLY 43 2HA GLY 43 -1.581 -1.564 -16.227 297 H MET 44 H MET 44 0.756 0.414 -15.469 298 HA MET 44 HA MET 44 0.223 1.293 -12.887 299 HB2 MET 44 1HB MET 44 1.275 2.804 -15.344 300 HB3 MET 44 2HB MET 44 1.421 3.379 -13.695 301 HG2 MET 44 1HG MET 44 3.146 1.938 -13.204 302 HG3 MET 44 2HG MET 44 2.418 0.604 -14.078 303 HE1 MET 44 1HE MET 44 2.821 -0.127 -16.152 304 HE2 MET 44 2HE MET 44 2.262 1.197 -17.201 305 HE3 MET 44 3HE MET 44 3.900 0.530 -17.405 306 H HIS 45 H HIS 45 -1.277 1.991 -16.053 307 HA HIS 45 HA HIS 45 -2.635 4.303 -15.302 308 HB2 HIS 45 1HB HIS 45 -4.046 3.848 -17.258 309 HB3 HIS 45 2HB HIS 45 -2.338 3.686 -17.615 310 HD1 HIS 45 1HD HIS 45 -1.418 1.256 -18.073 311 HD2 HIS 45 2HD HIS 45 -5.569 1.496 -17.518 312 HE1 HIS 45 1HE HIS 45 -2.376 -0.966 -18.881 313 H ILE 46 H ILE 46 -3.168 0.883 -14.614 314 HA ILE 46 HA ILE 46 -5.885 0.922 -14.089 315 HB ILE 46 HB ILE 46 -3.754 -0.687 -12.679 316 HG12 ILE 46 1HG1 ILE 46 -3.314 -0.999 -14.971 317 HG13 ILE 46 2HG1 ILE 46 -4.268 -2.386 -14.485 318 HG21 ILE 46 1HG2 ILE 46 -5.414 -1.714 -11.631 319 HG22 ILE 46 2HG2 ILE 46 -6.577 -0.591 -12.375 320 HG23 ILE 46 3HG2 ILE 46 -6.172 -2.121 -13.189 321 HD11 ILE 46 1HD1 ILE 46 -5.385 0.111 -15.844 322 HD12 ILE 46 2HD1 ILE 46 -5.058 -1.443 -16.649 323 HD13 ILE 46 3HD1 ILE 46 -6.319 -1.337 -15.397 324 H CYS 47 H CYS 47 -3.094 1.504 -11.839 325 HA CYS 47 HA CYS 47 -4.422 1.925 -9.548 326 HB2 CYS 47 1HB CYS 47 -2.103 2.052 -9.391 327 HB3 CYS 47 2HB CYS 47 -1.960 3.205 -10.703 328 HG CYS 47 HG CYS 47 -2.126 3.609 -7.615 329 H GLU 48 H GLU 48 -3.584 4.548 -11.943 330 HA GLU 48 HA GLU 48 -5.073 6.503 -10.755 331 HB2 GLU 48 1HB GLU 48 -4.132 6.020 -13.588 332 HB3 GLU 48 2HB GLU 48 -5.166 7.395 -13.252 333 HG2 GLU 48 1HG GLU 48 -3.424 8.557 -12.385 334 HG3 GLU 48 2HG GLU 48 -3.110 7.288 -11.217 335 H ASP 49 H ASP 49 -6.020 4.283 -13.473 336 HA ASP 49 HA ASP 49 -8.478 5.211 -13.972 337 HB2 ASP 49 1HB ASP 49 -7.031 2.752 -14.353 338 HB3 ASP 49 2HB ASP 49 -8.644 2.321 -13.821 339 H ALA 50 H ALA 50 -7.349 3.155 -11.244 340 HA ALA 50 HA ALA 50 -9.849 2.413 -10.249 341 HB1 ALA 50 1HB ALA 50 -7.349 2.913 -8.603 342 HB2 ALA 50 2HB ALA 50 -8.631 1.709 -8.328 343 HB3 ALA 50 3HB ALA 50 -7.507 1.516 -9.694 344 H VAL 51 H VAL 51 -7.594 4.960 -8.950 345 HA VAL 51 HA VAL 51 -9.227 6.118 -7.163 346 HB VAL 51 HB VAL 51 -7.398 7.545 -9.105 347 HG11 VAL 51 1HG1 VAL 51 -7.234 9.305 -7.526 348 HG12 VAL 51 2HG1 VAL 51 -8.973 8.958 -7.679 349 HG13 VAL 51 3HG1 VAL 51 -8.067 8.361 -6.268 350 HG21 VAL 51 1HG2 VAL 51 -6.877 5.649 -6.936 351 HG22 VAL 51 2HG2 VAL 51 -5.795 6.260 -8.210 352 HG23 VAL 51 3HG2 VAL 51 -6.032 7.200 -6.717 353 H LYS 52 H LYS 52 -9.012 7.158 -10.645 354 HA LYS 52 HA LYS 52 -10.995 8.997 -10.647 355 HB2 LYS 52 1HB LYS 52 -10.062 7.032 -12.734 356 HB3 LYS 52 2HB LYS 52 -11.360 8.158 -13.079 357 HG2 LYS 52 1HG LYS 52 -9.843 9.799 -13.447 358 HG3 LYS 52 2HG LYS 52 -9.299 9.672 -11.786 359 HD2 LYS 52 1HD LYS 52 -7.326 8.828 -12.512 360 HD3 LYS 52 2HD LYS 52 -8.171 7.429 -13.146 361 HE2 LYS 52 1HE LYS 52 -8.124 10.009 -14.743 362 HE3 LYS 52 2HE LYS 52 -6.735 8.940 -14.777 363 HZ1 LYS 52 1HZ LYS 52 -8.684 8.633 -16.425 364 HZ2 LYS 52 2HZ LYS 52 -7.919 7.327 -15.814 365 HZ3 LYS 52 3HZ LYS 52 -9.363 7.785 -15.206 366 H ARG 53 H ARG 53 -11.327 5.413 -10.796 367 HA ARG 53 HA ARG 53 -14.006 5.343 -11.319 368 HB2 ARG 53 1HB ARG 53 -12.047 3.473 -10.863 369 HB3 ARG 53 2HB ARG 53 -12.954 3.320 -9.371 370 HG2 ARG 53 1HG ARG 53 -15.015 2.831 -10.576 371 HG3 ARG 53 2HG ARG 53 -14.288 3.253 -12.113 372 HD2 ARG 53 1HD ARG 53 -12.527 1.321 -11.302 373 HD3 ARG 53 2HD ARG 53 -13.969 0.756 -10.482 374 HE ARG 53 HE ARG 53 -13.476 0.674 -13.335 375 HH11 ARG 53 2HH2 ARG 53 -16.043 1.055 -10.959 376 HH12 ARG 53 1HH2 ARG 53 -17.282 0.459 -12.013 377 HH21 ARG 53 2HH1 ARG 53 -15.109 -0.112 -14.727 378 HH22 ARG 53 1HH1 ARG 53 -16.747 -0.209 -14.171 379 H LEU 54 H LEU 54 -12.295 5.247 -8.106 380 HA LEU 54 HA LEU 54 -14.659 5.277 -6.592 381 HB2 LEU 54 1HB LEU 54 -11.877 6.157 -5.810 382 HB3 LEU 54 2HB LEU 54 -13.188 5.758 -4.717 383 HG LEU 54 HG LEU 54 -12.209 3.707 -6.688 384 HD11 LEU 54 1HD1 LEU 54 -10.385 4.908 -5.097 385 HD12 LEU 54 2HD1 LEU 54 -10.983 3.645 -3.994 386 HD13 LEU 54 3HD1 LEU 54 -10.313 3.197 -5.581 387 HD21 LEU 54 1HD2 LEU 54 -12.795 2.321 -4.497 388 HD22 LEU 54 2HD2 LEU 54 -13.810 3.747 -4.171 389 HD23 LEU 54 3HD2 LEU 54 -14.040 2.813 -5.670 390 H LYS 55 H LYS 55 -12.779 7.772 -8.239 391 HA LYS 55 HA LYS 55 -13.880 9.927 -6.734 392 HB2 LYS 55 1HB LYS 55 -12.173 9.648 -9.188 393 HB3 LYS 55 2HB LYS 55 -12.931 11.189 -8.843 394 HG2 LYS 55 1HG LYS 55 -11.944 10.591 -6.356 395 HG3 LYS 55 2HG LYS 55 -10.764 9.762 -7.352 396 HD2 LYS 55 1HD LYS 55 -10.610 11.973 -8.719 397 HD3 LYS 55 2HD LYS 55 -11.487 12.719 -7.399 398 HE2 LYS 55 1HE LYS 55 -9.736 12.174 -5.804 399 HE3 LYS 55 2HE LYS 55 -8.934 11.115 -6.946 400 HZ1 LYS 55 1HZ LYS 55 -7.764 13.064 -7.093 401 HZ2 LYS 55 2HZ LYS 55 -8.781 13.212 -8.362 402 HZ3 LYS 55 3HZ LYS 55 -9.078 14.027 -6.978 403 H ALA 56 H ALA 56 -15.011 7.826 -9.249 404 HA ALA 56 HA ALA 56 -17.046 9.788 -10.027 405 HB1 ALA 56 1HB ALA 56 -16.669 8.981 -12.087 406 HB2 ALA 56 2HB ALA 56 -15.486 7.822 -11.432 407 HB3 ALA 56 3HB ALA 56 -17.205 7.372 -11.545 408 H THR 57 H THR 57 -16.437 7.201 -7.888 409 HA THR 57 HA THR 57 -19.021 5.972 -8.027 410 HB THR 57 HB THR 57 -16.577 5.181 -7.139 411 HG1 THR 57 1HG THR 57 -19.255 4.609 -6.082 412 HG21 THR 57 1HG2 THR 57 -16.430 5.177 -4.752 413 HG22 THR 57 2HG2 THR 57 -16.874 6.858 -5.136 414 HG23 THR 57 3HG2 THR 57 -18.116 5.717 -4.566 415 H GLY 58 H GLY 58 -17.645 8.807 -6.471 416 HA2 GLY 58 1HA GLY 58 -18.744 10.475 -5.399 417 HA3 GLY 58 2HA GLY 58 -20.250 9.593 -5.559 418 H LYS 59 H LYS 59 -17.053 9.094 -3.881 419 HA LYS 59 HA LYS 59 -18.588 8.602 -1.432 420 HB2 LYS 59 1HB LYS 59 -17.491 6.556 -2.808 421 HB3 LYS 59 2HB LYS 59 -16.098 7.028 -1.856 422 HG2 LYS 59 1HG LYS 59 -18.025 7.104 0.088 423 HG3 LYS 59 2HG LYS 59 -18.713 5.877 -0.956 424 HD2 LYS 59 1HD LYS 59 -15.784 5.716 -0.190 425 HD3 LYS 59 2HD LYS 59 -17.005 5.186 0.950 426 HE2 LYS 59 1HE LYS 59 -17.931 3.882 -1.236 427 HE3 LYS 59 2HE LYS 59 -16.250 4.004 -1.715 428 HZ1 LYS 59 1HZ LYS 59 -16.805 3.126 0.988 429 HZ2 LYS 59 2HZ LYS 59 -17.103 2.071 -0.222 430 HZ3 LYS 59 3HZ LYS 59 -15.602 2.681 -0.023 431 H LYS 60 H LYS 60 -16.045 8.078 0.031 432 HA LYS 60 HA LYS 60 -14.595 10.565 -0.303 433 HB2 LYS 60 1HB LYS 60 -16.407 9.976 2.016 434 HB3 LYS 60 2HB LYS 60 -14.917 10.852 2.302 435 HG2 LYS 60 1HG LYS 60 -15.543 12.549 0.613 436 HG3 LYS 60 2HG LYS 60 -16.985 11.644 0.197 437 HD2 LYS 60 1HD LYS 60 -17.086 11.982 3.026 438 HD3 LYS 60 2HD LYS 60 -16.570 13.530 2.387 439 HE2 LYS 60 1HE LYS 60 -18.543 13.104 0.625 440 HE3 LYS 60 2HE LYS 60 -19.143 12.027 1.870 441 HZ1 LYS 60 1HZ LYS 60 -19.240 14.807 1.806 442 HZ2 LYS 60 2HZ LYS 60 -19.893 13.796 2.909 443 HZ3 LYS 60 3HZ LYS 60 -18.375 14.362 3.117 444 H ALA 61 H ALA 61 -12.793 10.583 1.569 445 HA ALA 61 HA ALA 61 -11.737 7.840 1.606 446 HB1 ALA 61 1HB ALA 61 -9.656 8.691 1.128 447 HB2 ALA 61 2HB ALA 61 -10.640 9.957 0.357 448 HB3 ALA 61 3HB ALA 61 -9.965 10.222 1.982 449 H VAL 62 H VAL 62 -11.222 6.914 3.561 450 HA VAL 62 HA VAL 62 -12.020 8.414 5.904 451 HB VAL 62 HB VAL 62 -11.326 5.545 5.312 452 HG11 VAL 62 1HG1 VAL 62 -11.582 6.899 7.997 453 HG12 VAL 62 2HG1 VAL 62 -12.003 5.183 7.783 454 HG13 VAL 62 3HG1 VAL 62 -10.351 5.745 7.431 455 HG21 VAL 62 1HG2 VAL 62 -13.546 5.173 5.321 456 HG22 VAL 62 2HG2 VAL 62 -13.818 6.230 6.727 457 HG23 VAL 62 3HG2 VAL 62 -13.685 6.934 5.097 458 H LYS 63 H LYS 63 -10.628 8.589 7.817 459 HA LYS 63 HA LYS 63 -7.862 8.994 6.989 460 HB2 LYS 63 1HB LYS 63 -9.614 10.115 9.158 461 HB3 LYS 63 2HB LYS 63 -7.873 10.151 9.349 462 HG2 LYS 63 1HG LYS 63 -8.356 11.007 6.677 463 HG3 LYS 63 2HG LYS 63 -9.571 11.814 7.649 464 HD2 LYS 63 1HD LYS 63 -7.692 13.283 7.699 465 HD3 LYS 63 2HD LYS 63 -7.662 12.478 9.256 466 HE2 LYS 63 1HE LYS 63 -6.076 10.737 8.092 467 HE3 LYS 63 2HE LYS 63 -5.897 11.947 6.837 468 HZ1 LYS 63 1HZ LYS 63 -5.614 13.102 9.388 469 HZ2 LYS 63 2HZ LYS 63 -4.568 11.861 9.209 470 HZ3 LYS 63 3HZ LYS 63 -4.562 13.095 8.139 471 H ALA 64 H ALA 64 -6.567 7.250 7.230 472 HA ALA 64 HA ALA 64 -6.553 5.970 9.835 473 HB1 ALA 64 1HB ALA 64 -6.344 3.835 8.002 474 HB2 ALA 64 2HB ALA 64 -7.685 4.162 9.125 475 HB3 ALA 64 3HB ALA 64 -7.745 4.789 7.460 476 H VAL 65 H VAL 65 -4.597 4.371 9.900 477 HA VAL 65 HA VAL 65 -2.416 5.701 8.461 478 HB VAL 65 HB VAL 65 -2.541 4.158 11.054 479 HG11 VAL 65 1HG1 VAL 65 -0.468 3.701 9.612 480 HG12 VAL 65 2HG1 VAL 65 -0.036 5.403 9.904 481 HG13 VAL 65 3HG1 VAL 65 -0.196 4.278 11.274 482 HG21 VAL 65 1HG2 VAL 65 -3.178 6.724 10.703 483 HG22 VAL 65 2HG2 VAL 65 -2.304 6.156 12.146 484 HG23 VAL 65 3HG2 VAL 65 -1.411 6.914 10.806 485 H LEU 66 H LEU 66 -1.524 4.637 6.776 486 HA LEU 66 HA LEU 66 -2.199 1.846 6.428 487 HB2 LEU 66 1HB LEU 66 -2.509 3.087 4.495 488 HB3 LEU 66 2HB LEU 66 -1.036 4.011 4.717 489 HG LEU 66 HG LEU 66 0.322 2.077 4.111 490 HD11 LEU 66 1HD1 LEU 66 -0.465 -0.050 3.656 491 HD12 LEU 66 2HD1 LEU 66 -1.478 0.442 5.035 492 HD13 LEU 66 3HD1 LEU 66 -2.133 0.508 3.381 493 HD21 LEU 66 1HD2 LEU 66 -0.109 3.375 2.245 494 HD22 LEU 66 2HD2 LEU 66 -0.645 1.760 1.719 495 HD23 LEU 66 3HD2 LEU 66 -1.843 2.973 2.231 496 H TRP 67 H TRP 67 -0.954 0.243 7.215 497 HA TRP 67 HA TRP 67 1.813 0.909 7.887 498 HB2 TRP 67 1HB TRP 67 0.063 -1.405 8.738 499 HB3 TRP 67 2HB TRP 67 1.727 -1.160 9.230 500 HD1 TRP 67 HD TRP 67 -1.659 0.777 9.529 501 HE1 TRP 67 1HE TRP 67 -1.759 2.113 11.802 502 HE3 TRP 67 3HE TRP 67 3.046 -0.417 11.044 503 HZ2 TRP 67 2HZ TRP 67 0.100 2.512 13.931 504 HZ3 TRP 67 3HZ TRP 67 3.826 0.487 13.233 505 HH2 TRP 67 HH TRP 67 2.437 1.905 14.659 506 H VAL 68 H VAL 68 3.551 -0.420 7.096 507 HA VAL 68 HA VAL 68 2.781 -2.260 4.946 508 HB VAL 68 HB VAL 68 5.039 -0.252 4.838 509 HG11 VAL 68 1HG1 VAL 68 5.198 -2.503 3.582 510 HG12 VAL 68 2HG1 VAL 68 3.919 -1.848 2.531 511 HG13 VAL 68 3HG1 VAL 68 5.482 -1.006 2.661 512 HG21 VAL 68 1HG2 VAL 68 3.487 0.620 2.887 513 HG22 VAL 68 2HG2 VAL 68 2.203 -0.132 3.865 514 HG23 VAL 68 3HG2 VAL 68 3.225 1.145 4.568 515 H SER 69 H SER 69 3.616 -4.257 5.265 516 HA SER 69 HA SER 69 6.178 -4.419 6.592 517 HB2 SER 69 1HB SER 69 3.709 -5.960 7.509 518 HB3 SER 69 2HB SER 69 5.337 -6.251 8.088 519 HG SER 69 HG SER 69 5.161 -4.590 9.425 520 H ALA 70 H ALA 70 7.161 -6.657 6.324 521 HA ALA 70 HA ALA 70 6.991 -7.502 3.696 522 HB1 ALA 70 1HB ALA 70 8.830 -7.830 5.484 523 HB2 ALA 70 2HB ALA 70 7.891 -9.250 6.002 524 HB3 ALA 70 3HB ALA 70 8.541 -9.168 4.347 525 H ASP 71 H ASP 71 5.008 -8.253 6.507 526 HA ASP 71 HA ASP 71 4.026 -10.683 5.446 527 HB2 ASP 71 1HB ASP 71 4.021 -9.539 7.925 528 HB3 ASP 71 2HB ASP 71 2.405 -9.094 7.411 529 H GLY 72 H GLY 72 3.660 -7.430 4.587 530 HA2 GLY 72 1HA GLY 72 2.165 -7.207 2.601 531 HA3 GLY 72 2HA GLY 72 0.888 -7.824 3.630 532 H LEU 73 H LEU 73 -0.475 -6.065 3.862 533 HA LEU 73 HA LEU 73 0.756 -3.686 5.063 534 HB2 LEU 73 1HB LEU 73 -1.657 -3.397 3.346 535 HB3 LEU 73 2HB LEU 73 -0.384 -2.248 3.707 536 HG LEU 73 HG LEU 73 0.274 -4.662 2.054 537 HD11 LEU 73 1HD1 LEU 73 -0.866 -4.064 0.228 538 HD12 LEU 73 2HD1 LEU 73 -1.875 -3.105 1.337 539 HD13 LEU 73 3HD1 LEU 73 -0.528 -2.333 0.467 540 HD21 LEU 73 1HD2 LEU 73 1.674 -2.402 2.928 541 HD22 LEU 73 2HD2 LEU 73 2.196 -3.601 1.720 542 HD23 LEU 73 3HD2 LEU 73 1.360 -2.119 1.199 543 H ARG 74 H ARG 74 -1.172 -2.286 6.080 544 HA ARG 74 HA ARG 74 -3.281 -3.913 7.064 545 HB2 ARG 74 1HB ARG 74 -0.949 -3.097 8.829 546 HB3 ARG 74 2HB ARG 74 -2.550 -3.226 9.531 547 HG2 ARG 74 1HG ARG 74 -2.373 -5.581 8.051 548 HG3 ARG 74 2HG ARG 74 -0.721 -5.369 8.598 549 HD2 ARG 74 1HD ARG 74 -1.629 -5.033 10.964 550 HD3 ARG 74 2HD ARG 74 -3.217 -5.458 10.358 551 HE ARG 74 HE ARG 74 -1.507 -7.526 9.504 552 HH11 ARG 74 2HH2 ARG 74 -2.544 -6.156 12.575 553 HH12 ARG 74 1HH2 ARG 74 -2.362 -7.643 13.446 554 HH21 ARG 74 2HH1 ARG 74 -1.266 -9.487 10.652 555 HH22 ARG 74 1HH1 ARG 74 -1.630 -9.550 12.344 556 H VAL 75 H VAL 75 -4.900 -2.434 6.607 557 HA VAL 75 HA VAL 75 -4.392 0.380 6.909 558 HB VAL 75 HB VAL 75 -6.861 -1.185 6.130 559 HG11 VAL 75 1HG1 VAL 75 -7.497 0.997 6.984 560 HG12 VAL 75 2HG1 VAL 75 -6.276 1.790 5.960 561 HG13 VAL 75 3HG1 VAL 75 -7.671 0.976 5.213 562 HG21 VAL 75 1HG2 VAL 75 -4.468 -0.257 4.651 563 HG22 VAL 75 2HG2 VAL 75 -5.595 -1.589 4.299 564 HG23 VAL 75 3HG2 VAL 75 -6.032 0.082 3.871 565 H VAL 76 H VAL 76 -4.018 0.734 9.132 566 HA VAL 76 HA VAL 76 -5.919 -0.252 11.043 567 HB VAL 76 HB VAL 76 -3.391 1.342 11.073 568 HG11 VAL 76 1HG1 VAL 76 -4.488 2.696 12.604 569 HG12 VAL 76 2HG1 VAL 76 -5.517 1.372 13.202 570 HG13 VAL 76 3HG1 VAL 76 -3.797 1.439 13.657 571 HG21 VAL 76 1HG2 VAL 76 -4.244 -1.032 12.754 572 HG22 VAL 76 2HG2 VAL 76 -3.481 -1.185 11.153 573 HG23 VAL 76 3HG2 VAL 76 -2.598 -0.409 12.489 574 H ASP 77 H ASP 77 -7.262 1.115 12.417 575 HA ASP 77 HA ASP 77 -8.200 3.394 10.894 576 HB2 ASP 77 1HB ASP 77 -9.710 1.444 11.745 577 HB3 ASP 77 2HB ASP 77 -9.517 2.146 13.340 578 H GLU 78 H GLU 78 -7.045 5.237 11.569 579 HA GLU 78 HA GLU 78 -5.665 5.645 13.776 580 HB2 GLU 78 1HB GLU 78 -7.375 7.559 12.167 581 HB3 GLU 78 2HB GLU 78 -6.452 8.146 13.536 582 HG2 GLU 78 1HG GLU 78 -4.625 6.523 12.116 583 HG3 GLU 78 2HG GLU 78 -5.517 7.362 10.862 584 H LYS 79 H LYS 79 -9.200 5.554 13.547 585 HA LYS 79 HA LYS 79 -10.031 6.914 15.719 586 HB2 LYS 79 1HB LYS 79 -11.294 5.434 13.978 587 HB3 LYS 79 2HB LYS 79 -11.110 4.159 15.166 588 HG2 LYS 79 1HG LYS 79 -12.089 6.804 16.194 589 HG3 LYS 79 2HG LYS 79 -13.198 5.909 15.174 590 HD2 LYS 79 1HD LYS 79 -13.693 4.500 16.878 591 HD3 LYS 79 2HD LYS 79 -12.007 4.049 17.039 592 HE2 LYS 79 1HE LYS 79 -11.567 5.789 18.627 593 HE3 LYS 79 2HE LYS 79 -13.024 6.666 18.206 594 HZ1 LYS 79 1HZ LYS 79 -12.736 4.301 19.849 595 HZ2 LYS 79 2HZ LYS 79 -13.695 5.604 20.063 596 HZ3 LYS 79 3HZ LYS 79 -14.115 4.450 18.988 597 H THR 80 H THR 80 -9.522 3.334 15.972 598 HA THR 80 HA THR 80 -8.363 3.847 18.634 599 HB THR 80 HB THR 80 -10.764 2.813 18.419 600 HG1 THR 80 1HG THR 80 -8.520 1.386 19.666 601 HG21 THR 80 1HG2 THR 80 -8.984 0.426 17.694 602 HG22 THR 80 2HG2 THR 80 -10.688 0.314 18.195 603 HG23 THR 80 3HG2 THR 80 -10.261 1.116 16.664 604 H LYS 81 H LYS 81 -7.247 3.463 15.742 605 HA LYS 81 HA LYS 81 -5.395 2.593 14.908 606 HB2 LYS 81 1HB LYS 81 -4.996 2.055 17.816 607 HB3 LYS 81 2HB LYS 81 -3.957 1.202 16.692 608 HG2 LYS 81 1HG LYS 81 -4.380 4.229 16.701 609 HG3 LYS 81 2HG LYS 81 -3.011 3.416 17.434 610 HD2 LYS 81 1HD LYS 81 -2.653 2.338 15.064 611 HD3 LYS 81 2HD LYS 81 -3.727 3.596 14.486 612 HE2 LYS 81 1HE LYS 81 -1.379 4.346 16.251 613 HE3 LYS 81 2HE LYS 81 -1.104 4.013 14.553 614 HZ1 LYS 81 1HZ LYS 81 -3.056 5.962 15.568 615 HZ2 LYS 81 2HZ LYS 81 -1.575 6.337 14.991 616 HZ3 LYS 81 3HZ LYS 81 -2.698 5.691 13.997 617 H ASP 82 H ASP 82 -8.101 1.005 15.687 618 HA ASP 82 HA ASP 82 -7.448 -1.657 15.705 619 HB2 ASP 82 1HB ASP 82 -9.707 -1.075 16.170 620 HB3 ASP 82 2HB ASP 82 -9.843 -0.073 14.739 621 H LEU 83 H LEU 83 -8.097 -3.205 13.738 622 HA LEU 83 HA LEU 83 -6.668 -2.194 11.410 623 HB2 LEU 83 1HB LEU 83 -5.928 -4.274 12.493 624 HB3 LEU 83 2HB LEU 83 -7.492 -4.998 12.175 625 HG LEU 83 HG LEU 83 -7.118 -4.953 9.794 626 HD11 LEU 83 1HD1 LEU 83 -4.770 -3.225 10.507 627 HD12 LEU 83 2HD1 LEU 83 -4.737 -4.210 9.025 628 HD13 LEU 83 3HD1 LEU 83 -6.018 -2.997 9.259 629 HD21 LEU 83 1HD2 LEU 83 -6.255 -6.906 10.798 630 HD22 LEU 83 2HD2 LEU 83 -5.001 -6.351 9.663 631 HD23 LEU 83 3HD2 LEU 83 -4.815 -6.057 11.409 632 H ILE 84 H ILE 84 -7.721 -1.525 9.619 633 HA ILE 84 HA ILE 84 -10.587 -1.947 9.531 634 HB ILE 84 HB ILE 84 -8.788 -0.311 7.741 635 HG12 ILE 84 1HG1 ILE 84 -10.489 0.706 10.026 636 HG13 ILE 84 2HG1 ILE 84 -8.796 0.297 10.220 637 HG21 ILE 84 1HG2 ILE 84 -11.710 0.207 8.118 638 HG22 ILE 84 2HG2 ILE 84 -10.652 0.551 6.728 639 HG23 ILE 84 3HG2 ILE 84 -11.200 -1.114 7.038 640 HD11 ILE 84 1HD1 ILE 84 -9.543 2.091 7.918 641 HD12 ILE 84 2HD1 ILE 84 -9.557 2.776 9.560 642 HD13 ILE 84 3HD1 ILE 84 -8.060 2.071 8.903 643 H VAL 85 H VAL 85 -7.606 -2.691 7.638 644 HA VAL 85 HA VAL 85 -9.073 -4.904 6.441 645 HB VAL 85 HB VAL 85 -7.688 -2.686 4.936 646 HG11 VAL 85 1HG1 VAL 85 -7.974 -4.052 2.894 647 HG12 VAL 85 2HG1 VAL 85 -6.844 -4.795 4.050 648 HG13 VAL 85 3HG1 VAL 85 -8.503 -5.422 3.899 649 HG21 VAL 85 1HG2 VAL 85 -9.888 -2.875 3.604 650 HG22 VAL 85 2HG2 VAL 85 -10.490 -3.814 4.991 651 HG23 VAL 85 3HG2 VAL 85 -9.952 -2.132 5.221 652 H ASP 86 H ASP 86 -7.596 -6.559 5.536 653 HA ASP 86 HA ASP 86 -4.906 -6.256 6.607 654 HB2 ASP 86 1HB ASP 86 -5.824 -7.754 8.171 655 HB3 ASP 86 2HB ASP 86 -6.915 -8.470 7.002 656 H GLN 87 H GLN 87 -3.721 -6.134 4.672 657 HA GLN 87 HA GLN 87 -4.459 -8.053 2.605 658 HB2 GLN 87 1HB GLN 87 -4.666 -5.731 1.855 659 HB3 GLN 87 2HB GLN 87 -3.041 -5.363 2.397 660 HG2 GLN 87 1HG GLN 87 -2.841 -5.722 0.041 661 HG3 GLN 87 2HG GLN 87 -2.207 -7.180 0.778 662 HE21 GLN 87 1HE2 GLN 87 -2.773 -7.693 -1.601 663 HE22 GLN 87 2HE2 GLN 87 -4.304 -8.456 -1.875 664 H THR 88 H THR 88 -2.760 -9.257 1.534 665 HA THR 88 HA THR 88 -0.278 -9.344 3.120 666 HB THR 88 HB THR 88 -1.432 -11.416 3.434 667 HG1 THR 88 1HG THR 88 0.806 -11.520 2.491 668 HG21 THR 88 1HG2 THR 88 -2.349 -10.921 0.626 669 HG22 THR 88 2HG2 THR 88 -1.962 -12.614 1.017 670 HG23 THR 88 3HG2 THR 88 -3.193 -11.741 1.961 671 H ILE 89 H ILE 89 1.693 -9.222 2.127 672 HA ILE 89 HA ILE 89 1.853 -7.879 -0.274 673 HB ILE 89 HB ILE 89 3.545 -8.292 1.671 674 HG12 ILE 89 1HG1 ILE 89 5.431 -7.818 -0.086 675 HG13 ILE 89 2HG1 ILE 89 4.110 -7.764 -1.236 676 HG21 ILE 89 1HG2 ILE 89 3.795 -10.686 1.392 677 HG22 ILE 89 2HG2 ILE 89 4.335 -10.464 -0.290 678 HG23 ILE 89 3HG2 ILE 89 5.340 -9.868 1.053 679 HD11 ILE 89 1HD1 ILE 89 4.742 -5.523 -0.173 680 HD12 ILE 89 2HD1 ILE 89 3.020 -5.960 -0.060 681 HD13 ILE 89 3HD1 ILE 89 4.083 -6.158 1.354 682 H GLU 90 H GLU 90 1.415 -11.307 0.411 683 HA GLU 90 HA GLU 90 2.438 -12.384 -1.885 684 HB2 GLU 90 1HB GLU 90 0.007 -13.231 -0.251 685 HB3 GLU 90 2HB GLU 90 0.752 -14.233 -1.480 686 HG2 GLU 90 1HG GLU 90 2.035 -13.231 1.098 687 HG3 GLU 90 2HG GLU 90 1.660 -14.891 0.681 688 H LYS 91 H LYS 91 -1.083 -11.663 -1.274 689 HA LYS 91 HA LYS 91 -1.980 -12.053 -3.811 690 HB2 LYS 91 1HB LYS 91 -2.923 -10.006 -1.781 691 HB3 LYS 91 2HB LYS 91 -3.830 -10.513 -3.192 692 HG2 LYS 91 1HG LYS 91 -3.075 -12.151 -0.750 693 HG3 LYS 91 2HG LYS 91 -4.669 -11.876 -1.424 694 HD2 LYS 91 1HD LYS 91 -3.660 -13.106 -3.563 695 HD3 LYS 91 2HD LYS 91 -2.487 -13.724 -2.417 696 HE2 LYS 91 1HE LYS 91 -5.298 -13.901 -1.463 697 HE3 LYS 91 2HE LYS 91 -4.982 -14.845 -2.905 698 HZ1 LYS 91 1HZ LYS 91 -4.210 -16.311 -1.445 699 HZ2 LYS 91 2HZ LYS 91 -2.856 -15.399 -1.404 700 HZ3 LYS 91 3HZ LYS 91 -3.997 -15.219 -0.249 701 H VAL 92 H VAL 92 -0.512 -9.062 -2.411 702 HA VAL 92 HA VAL 92 -0.897 -7.371 -4.523 703 HB VAL 92 HB VAL 92 1.441 -7.653 -2.629 704 HG11 VAL 92 1HG1 VAL 92 1.501 -6.177 -4.933 705 HG12 VAL 92 2HG1 VAL 92 0.862 -4.992 -3.768 706 HG13 VAL 92 3HG1 VAL 92 2.419 -5.797 -3.456 707 HG21 VAL 92 1HG2 VAL 92 0.302 -5.785 -1.430 708 HG22 VAL 92 2HG2 VAL 92 -1.070 -5.949 -2.552 709 HG23 VAL 92 3HG2 VAL 92 -0.645 -7.291 -1.463 710 H SER 93 H SER 93 -0.741 -8.204 -6.599 711 HA SER 93 HA SER 93 1.615 -9.691 -7.275 712 HB2 SER 93 1HB SER 93 -0.775 -10.178 -8.111 713 HB3 SER 93 2HB SER 93 -0.603 -8.775 -9.148 714 HG SER 93 HG SER 93 1.503 -9.926 -9.853 715 H PHE 94 H PHE 94 0.015 -6.550 -8.102 716 HA PHE 94 HA PHE 94 2.635 -5.591 -8.975 717 HB2 PHE 94 1HB PHE 94 1.167 -6.252 -10.943 718 HB3 PHE 94 2HB PHE 94 -0.105 -5.217 -10.327 719 HD1 PHE 94 1HD PHE 94 3.404 -5.122 -11.556 720 HD2 PHE 94 2HD PHE 94 -0.212 -2.978 -10.977 721 HE1 PHE 94 1HE PHE 94 4.336 -3.195 -12.866 722 HE2 PHE 94 2HE PHE 94 0.721 -1.051 -12.287 723 HZ PHE 94 HZ PHE 94 2.984 -1.183 -13.216 724 H CYS 95 H CYS 95 2.930 -3.275 -8.754 725 HA CYS 95 HA CYS 95 0.793 -1.771 -7.574 726 HB2 CYS 95 1HB CYS 95 2.360 -1.122 -5.601 727 HB3 CYS 95 2HB CYS 95 1.409 -2.590 -5.496 728 HG CYS 95 HG CYS 95 4.252 -2.806 -7.054 729 H ALA 96 H ALA 96 0.947 0.093 -8.772 730 HA ALA 96 HA ALA 96 3.657 1.094 -9.317 731 HB1 ALA 96 1HB ALA 96 2.070 2.063 -11.370 732 HB2 ALA 96 2HB ALA 96 3.166 0.665 -11.484 733 HB3 ALA 96 3HB ALA 96 1.439 0.415 -11.134 734 HA PRO 97 HA PRO 97 2.198 4.793 -7.620 735 HB2 PRO 97 1HB PRO 97 3.755 6.665 -8.862 736 HB3 PRO 97 2HB PRO 97 4.318 5.686 -7.522 737 HG2 PRO 97 1HG PRO 97 4.964 5.440 -10.396 738 HG3 PRO 97 2HG PRO 97 5.818 4.774 -9.018 739 HD2 PRO 97 1HD PRO 97 4.085 3.358 -10.812 740 HD3 PRO 97 2HD PRO 97 4.846 2.720 -9.368 741 H ASP 98 H ASP 98 1.921 7.373 -8.565 742 HA ASP 98 HA ASP 98 -0.083 6.882 -10.626 743 HB2 ASP 98 1HB ASP 98 -1.170 9.019 -9.572 744 HB3 ASP 98 2HB ASP 98 -1.377 7.482 -8.756 745 H ARG 99 H ARG 99 -0.686 9.349 -11.543 746 HA ARG 99 HA ARG 99 1.718 10.915 -11.696 747 HB2 ARG 99 1HB ARG 99 0.534 9.361 -13.992 748 HB3 ARG 99 2HB ARG 99 1.128 10.970 -14.347 749 HG2 ARG 99 1HG ARG 99 2.884 9.111 -12.735 750 HG3 ARG 99 2HG ARG 99 2.749 8.843 -14.461 751 HD2 ARG 99 1HD ARG 99 3.334 11.328 -14.786 752 HD3 ARG 99 2HD ARG 99 3.695 11.392 -13.072 753 HE ARG 99 HE ARG 99 5.711 10.308 -13.510 754 HH11 ARG 99 2HH2 ARG 99 3.471 9.604 -16.131 755 HH12 ARG 99 1HH2 ARG 99 4.640 8.732 -17.066 756 HH21 ARG 99 2HH1 ARG 99 7.253 9.157 -14.743 757 HH22 ARG 99 1HH1 ARG 99 6.805 8.476 -16.271 758 H ASN 100 H ASN 100 -1.675 10.373 -12.854 759 HA ASN 100 HA ASN 100 -2.230 12.907 -13.660 760 HB2 ASN 100 1HB ASN 100 -4.204 11.147 -12.125 761 HB3 ASN 100 2HB ASN 100 -4.580 12.306 -13.385 762 HD21 ASN 100 1HD2 ASN 100 -5.358 9.609 -13.369 763 HD22 ASN 100 2HD2 ASN 100 -4.626 8.788 -14.708 764 H PHE 101 H PHE 101 -2.680 11.359 -10.393 765 HA PHE 101 HA PHE 101 -3.371 13.919 -9.242 766 HB2 PHE 101 1HB PHE 101 -2.831 11.234 -7.865 767 HB3 PHE 101 2HB PHE 101 -3.882 12.515 -7.297 768 HD1 PHE 101 2HD PHE 101 -3.550 9.769 -9.717 769 HD2 PHE 101 1HD PHE 101 -6.139 12.713 -8.092 770 HE1 PHE 101 2HE PHE 101 -5.514 8.636 -10.794 771 HE2 PHE 101 1HE PHE 101 -8.103 11.579 -9.169 772 HZ PHE 101 HZ PHE 101 -7.767 9.554 -10.507 773 H ASP 102 H ASP 102 -2.274 13.726 -6.679 774 HA ASP 102 HA ASP 102 0.559 13.966 -7.318 775 HB2 ASP 102 1HB ASP 102 -1.308 15.504 -5.518 776 HB3 ASP 102 2HB ASP 102 0.364 15.360 -5.013 777 H ARG 103 H ARG 103 -1.967 12.846 -5.013 778 HA ARG 103 HA ARG 103 0.039 11.098 -3.860 779 HB2 ARG 103 1HB ARG 103 -1.068 11.433 -1.598 780 HB3 ARG 103 2HB ARG 103 -0.242 12.858 -2.198 781 HG2 ARG 103 1HG ARG 103 -2.710 13.303 -3.274 782 HG3 ARG 103 2HG ARG 103 -3.183 12.357 -1.877 783 HD2 ARG 103 1HD ARG 103 -2.662 14.038 -0.407 784 HD3 ARG 103 2HD ARG 103 -1.159 14.418 -1.224 785 HE ARG 103 HE ARG 103 -2.275 16.041 -2.512 786 HH11 ARG 103 2HH2 ARG 103 -4.626 14.012 -0.856 787 HH12 ARG 103 1HH2 ARG 103 -5.974 15.021 -1.263 788 HH21 ARG 103 2HH1 ARG 103 -4.053 17.372 -3.049 789 HH22 ARG 103 1HH1 ARG 103 -5.645 16.945 -2.519 790 H ALA 104 H ALA 104 -1.093 9.683 -5.554 791 HA ALA 104 HA ALA 104 -3.438 8.452 -4.307 792 HB1 ALA 104 1HB ALA 104 -3.683 10.094 -6.485 793 HB2 ALA 104 2HB ALA 104 -3.419 8.520 -7.272 794 HB3 ALA 104 3HB ALA 104 -4.769 8.729 -6.131 795 H PHE 105 H PHE 105 -2.403 6.613 -3.581 796 HA PHE 105 HA PHE 105 -0.821 5.171 -5.588 797 HB2 PHE 105 1HB PHE 105 0.525 5.651 -3.642 798 HB3 PHE 105 2HB PHE 105 -0.834 5.461 -2.552 799 HD1 PHE 105 2HD PHE 105 1.289 3.474 -4.887 800 HD2 PHE 105 1HD PHE 105 -1.045 3.495 -1.342 801 HE1 PHE 105 2HE PHE 105 2.013 1.121 -4.396 802 HE2 PHE 105 1HE PHE 105 -0.321 1.142 -0.852 803 HZ PHE 105 HZ PHE 105 1.199 -0.016 -2.384 804 H SER 106 H SER 106 -1.243 2.967 -5.990 805 HA SER 106 HA SER 106 -3.300 1.709 -4.436 806 HB2 SER 106 1HB SER 106 -4.639 2.884 -6.122 807 HB3 SER 106 2HB SER 106 -3.634 2.262 -7.416 808 HG SER 106 HG SER 106 -5.637 1.057 -7.153 809 H TYR 107 H TYR 107 -3.562 -0.668 -5.169 810 HA TYR 107 HA TYR 107 -1.354 -1.659 -6.766 811 HB2 TYR 107 1HB TYR 107 -0.462 -2.962 -4.904 812 HB3 TYR 107 2HB TYR 107 -0.691 -1.351 -4.254 813 HD1 TYR 107 2HD TYR 107 -2.534 -4.601 -4.599 814 HD2 TYR 107 1HD TYR 107 -1.830 -1.104 -2.238 815 HE1 TYR 107 2HE TYR 107 -3.995 -5.549 -2.747 816 HE2 TYR 107 1HE TYR 107 -3.293 -2.063 -0.393 817 HH TYR 107 HH TYR 107 -5.150 -3.669 -0.224 818 H ILE 108 H ILE 108 -1.812 -3.643 -7.735 819 HA ILE 108 HA ILE 108 -4.563 -4.497 -7.443 820 HB ILE 108 HB ILE 108 -2.423 -5.436 -9.354 821 HG12 ILE 108 1HG1 ILE 108 -4.433 -3.186 -9.583 822 HG13 ILE 108 2HG1 ILE 108 -2.687 -3.084 -9.697 823 HG21 ILE 108 1HG2 ILE 108 -5.236 -5.583 -10.163 824 HG22 ILE 108 2HG2 ILE 108 -3.934 -6.790 -10.290 825 HG23 ILE 108 3HG2 ILE 108 -4.837 -6.611 -8.766 826 HD11 ILE 108 1HD1 ILE 108 -2.822 -4.640 -11.726 827 HD12 ILE 108 2HD1 ILE 108 -4.588 -4.428 -11.663 828 HD13 ILE 108 3HD1 ILE 108 -3.533 -3.024 -11.955 829 H CYS 109 H CYS 109 -5.217 -6.614 -6.847 830 HA CYS 109 HA CYS 109 -3.203 -8.481 -6.035 831 HB2 CYS 109 1HB CYS 109 -3.694 -8.593 -3.714 832 HB3 CYS 109 2HB CYS 109 -3.382 -6.906 -4.070 833 HG CYS 109 HG CYS 109 -5.930 -8.410 -2.936 834 H ARG 110 H ARG 110 -4.382 -10.545 -5.181 835 HA ARG 110 HA ARG 110 -6.880 -10.725 -6.653 836 HB2 ARG 110 1HB ARG 110 -5.053 -12.243 -7.414 837 HB3 ARG 110 2HB ARG 110 -4.916 -12.913 -5.800 838 HG2 ARG 110 1HG ARG 110 -6.694 -14.304 -6.111 839 HG3 ARG 110 2HG ARG 110 -7.692 -13.017 -6.759 840 HD2 ARG 110 1HD ARG 110 -6.714 -13.283 -8.989 841 HD3 ARG 110 2HD ARG 110 -5.504 -14.397 -8.384 842 HE ARG 110 HE ARG 110 -8.288 -15.233 -7.898 843 HH11 ARG 110 2HH2 ARG 110 -5.512 -15.409 -10.054 844 HH12 ARG 110 1HH2 ARG 110 -6.041 -16.869 -10.822 845 HH21 ARG 110 2HH1 ARG 110 -8.986 -17.158 -8.912 846 HH22 ARG 110 1HH1 ARG 110 -8.030 -17.870 -10.168 847 H ASP 111 H ASP 111 -8.457 -10.197 -5.097 848 HA ASP 111 HA ASP 111 -8.322 -10.667 -2.443 849 HB2 ASP 111 1HB ASP 111 -10.098 -9.400 -3.837 850 HB3 ASP 111 2HB ASP 111 -10.883 -10.949 -4.073 851 H GLY 112 H GLY 112 -9.178 -12.396 -1.048 852 HA2 GLY 112 1HA GLY 112 -9.418 -14.993 -2.439 853 HA3 GLY 112 2HA GLY 112 -8.752 -14.755 -0.836 854 H THR 113 H THR 113 -10.802 -12.743 -0.012 855 HA THR 113 HA THR 113 -12.721 -14.564 0.996 856 HB THR 113 HB THR 113 -13.710 -12.380 1.881 857 HG1 THR 113 1HG THR 113 -12.941 -10.559 0.864 858 HG21 THR 113 1HG2 THR 113 -10.756 -12.012 2.240 859 HG22 THR 113 2HG2 THR 113 -12.039 -12.117 3.470 860 HG23 THR 113 3HG2 THR 113 -11.398 -13.600 2.722 861 H THR 114 H THR 114 -12.679 -12.268 -1.752 862 HA THR 114 HA THR 114 -15.442 -13.048 -2.350 863 HB THR 114 HB THR 114 -13.614 -10.809 -3.367 864 HG1 THR 114 1HG THR 114 -16.074 -10.964 -1.771 865 HG21 THR 114 1HG2 THR 114 -16.624 -11.059 -3.772 866 HG22 THR 114 2HG2 THR 114 -15.489 -9.955 -4.586 867 HG23 THR 114 3HG2 THR 114 -15.485 -11.690 -4.986 868 H ARG 115 H ARG 115 -12.092 -13.452 -3.381 869 HA ARG 115 HA ARG 115 -11.262 -14.935 -4.747 870 HB2 ARG 115 1HB ARG 115 -14.049 -15.636 -5.781 871 HB3 ARG 115 2HB ARG 115 -12.602 -16.618 -5.902 872 HG2 ARG 115 1HG ARG 115 -13.467 -15.798 -3.139 873 HG3 ARG 115 2HG ARG 115 -14.457 -16.988 -3.960 874 HD2 ARG 115 1HD ARG 115 -11.622 -17.632 -4.297 875 HD3 ARG 115 2HD ARG 115 -12.001 -17.443 -2.596 876 HE ARG 115 HE ARG 115 -13.999 -19.045 -3.991 877 HH11 ARG 115 2HH2 ARG 115 -10.841 -19.155 -2.444 878 HH12 ARG 115 1HH2 ARG 115 -10.933 -20.847 -2.085 879 HH21 ARG 115 2HH1 ARG 115 -14.122 -21.277 -3.517 880 HH22 ARG 115 1HH1 ARG 115 -12.813 -22.062 -2.699 881 H ARG 116 H ARG 116 -11.370 -12.250 -5.434 882 HA ARG 116 HA ARG 116 -11.356 -12.461 -8.275 883 HB2 ARG 116 1HB ARG 116 -12.840 -10.495 -8.653 884 HB3 ARG 116 2HB ARG 116 -13.714 -11.800 -7.875 885 HG2 ARG 116 1HG ARG 116 -14.153 -10.528 -6.043 886 HG3 ARG 116 2HG ARG 116 -12.465 -10.094 -5.858 887 HD2 ARG 116 1HD ARG 116 -13.891 -8.084 -6.254 888 HD3 ARG 116 2HD ARG 116 -12.696 -8.284 -7.521 889 HE ARG 116 HE ARG 116 -14.413 -8.897 -9.053 890 HH11 ARG 116 2HH2 ARG 116 -15.692 -8.463 -5.804 891 HH12 ARG 116 1HH2 ARG 116 -17.345 -8.427 -6.321 892 HH21 ARG 116 2HH1 ARG 116 -16.593 -8.850 -9.736 893 HH22 ARG 116 1HH1 ARG 116 -17.861 -8.649 -8.573 894 H TRP 117 H TRP 117 -10.621 -10.158 -9.213 895 HA TRP 117 HA TRP 117 -8.350 -9.387 -7.629 896 HB2 TRP 117 1HB TRP 117 -9.177 -8.110 -10.217 897 HB3 TRP 117 2HB TRP 117 -7.572 -8.301 -9.539 898 HD1 TRP 117 HD TRP 117 -10.240 -10.315 -11.462 899 HE1 TRP 117 1HE TRP 117 -9.203 -12.490 -12.538 900 HE3 TRP 117 3HE TRP 117 -5.702 -9.903 -9.205 901 HZ2 TRP 117 2HZ TRP 117 -6.659 -13.765 -12.330 902 HZ3 TRP 117 3HZ TRP 117 -3.998 -11.655 -9.695 903 HH2 TRP 117 HH TRP 117 -4.417 -13.537 -11.197 904 H ILE 118 H ILE 118 -8.217 -7.582 -6.330 905 HA ILE 118 HA ILE 118 -10.370 -5.609 -6.608 906 HB ILE 118 HB ILE 118 -9.357 -6.943 -4.106 907 HG12 ILE 118 1HG1 ILE 118 -11.211 -8.012 -5.405 908 HG13 ILE 118 2HG1 ILE 118 -11.621 -7.585 -3.756 909 HG21 ILE 118 1HG2 ILE 118 -10.470 -4.221 -4.476 910 HG22 ILE 118 2HG2 ILE 118 -11.170 -5.190 -3.158 911 HG23 ILE 118 3HG2 ILE 118 -9.418 -4.877 -3.198 912 HD11 ILE 118 1HD1 ILE 118 -12.422 -5.294 -4.897 913 HD12 ILE 118 2HD1 ILE 118 -12.555 -6.339 -6.332 914 HD13 ILE 118 3HD1 ILE 118 -13.478 -6.727 -4.860 915 H CYS 119 H CYS 119 -9.656 -3.545 -6.823 916 HA CYS 119 HA CYS 119 -6.791 -3.160 -6.509 917 HB2 CYS 119 1HB CYS 119 -8.519 -2.421 -8.532 918 HB3 CYS 119 2HB CYS 119 -8.365 -0.932 -7.621 919 HG CYS 119 HG CYS 119 -6.250 -0.299 -8.458 920 H HIS 120 H HIS 120 -6.006 -2.041 -4.747 921 HA HIS 120 HA HIS 120 -7.993 -0.592 -3.158 922 HB2 HIS 120 1HB HIS 120 -5.585 -2.230 -2.441 923 HB3 HIS 120 2HB HIS 120 -6.060 -0.918 -1.382 924 HD1 HIS 120 1HD HIS 120 -8.243 -1.196 -0.004 925 HD2 HIS 120 2HD HIS 120 -7.406 -4.423 -2.550 926 HE1 HIS 120 1HE HIS 120 -9.819 -3.080 0.687 927 H CYS 121 H CYS 121 -7.885 1.585 -3.321 928 HA CYS 121 HA CYS 121 -5.321 2.713 -4.146 929 HB2 CYS 121 1HB CYS 121 -7.940 4.211 -4.165 930 HB3 CYS 121 2HB CYS 121 -6.483 4.532 -5.084 931 HG CYS 121 HG CYS 121 -6.961 1.640 -5.787 932 H PHE 122 H PHE 122 -4.608 4.722 -3.015 933 HA PHE 122 HA PHE 122 -5.921 5.272 -0.496 934 HB2 PHE 122 1HB PHE 122 -2.985 4.401 -0.817 935 HB3 PHE 122 2HB PHE 122 -3.698 4.938 0.692 936 HD1 PHE 122 1HD PHE 122 -5.577 3.546 1.694 937 HD2 PHE 122 2HD PHE 122 -3.126 2.149 -1.476 938 HE1 PHE 122 1HE PHE 122 -6.241 1.183 2.221 939 HE2 PHE 122 2HE PHE 122 -3.790 -0.213 -0.949 940 HZ PHE 122 HZ PHE 122 -5.340 -0.668 0.893 941 H MET 123 H MET 123 -6.074 7.458 -0.394 942 HA MET 123 HA MET 123 -4.265 8.999 -2.007 943 HB2 MET 123 1HB MET 123 -6.914 9.342 -0.668 944 HB3 MET 123 2HB MET 123 -5.922 10.786 -0.630 945 HG2 MET 123 1HG MET 123 -6.058 9.350 -3.263 946 HG3 MET 123 2HG MET 123 -7.532 10.138 -2.737 947 HE1 MET 123 1HE MET 123 -5.974 10.526 -5.166 948 HE2 MET 123 2HE MET 123 -5.569 12.239 -5.427 949 HE3 MET 123 3HE MET 123 -4.313 11.100 -4.884 950 H ALA 124 H ALA 124 -2.238 9.092 -1.013 951 HA ALA 124 HA ALA 124 -1.621 9.093 1.604 952 HB1 ALA 124 1HB ALA 124 0.436 9.478 0.771 953 HB2 ALA 124 2HB ALA 124 -0.334 9.636 -0.826 954 HB3 ALA 124 3HB ALA 124 -0.036 11.084 0.166 955 H VAL 125 H VAL 125 -1.221 10.712 3.245 956 HA VAL 125 HA VAL 125 -3.200 12.804 3.147 957 HB VAL 125 HB VAL 125 -1.275 11.809 5.251 958 HG11 VAL 125 1HG1 VAL 125 -2.369 14.385 5.116 959 HG12 VAL 125 2HG1 VAL 125 -3.413 13.503 6.256 960 HG13 VAL 125 3HG1 VAL 125 -1.658 13.592 6.542 961 HG21 VAL 125 1HG2 VAL 125 -3.562 10.644 4.392 962 HG22 VAL 125 2HG2 VAL 125 -2.966 10.537 6.066 963 HG23 VAL 125 3HG2 VAL 125 -4.217 11.730 5.641 964 H LYS 126 H LYS 126 0.314 12.768 4.086 965 HA LYS 126 HA LYS 126 0.580 15.264 2.569 966 HB2 LYS 126 1HB LYS 126 2.049 16.127 4.363 967 HB3 LYS 126 2HB LYS 126 0.390 15.907 4.881 968 HG2 LYS 126 1HG LYS 126 1.217 13.516 5.663 969 HG3 LYS 126 2HG LYS 126 2.818 14.221 5.561 970 HD2 LYS 126 1HD LYS 126 1.765 16.188 6.989 971 HD3 LYS 126 2HD LYS 126 0.518 15.018 7.370 972 HE2 LYS 126 1HE LYS 126 1.959 13.662 8.604 973 HE3 LYS 126 2HE LYS 126 3.362 14.085 7.643 974 HZ1 LYS 126 1HZ LYS 126 3.108 16.354 8.675 975 HZ2 LYS 126 2HZ LYS 126 2.093 15.664 9.753 976 HZ3 LYS 126 3HZ LYS 126 3.645 15.162 9.654 977 H ASP 127 H ASP 127 1.073 12.812 1.399 978 HA ASP 127 HA ASP 127 3.942 12.990 1.157 979 HB2 ASP 127 1HB ASP 127 2.659 10.247 1.266 980 HB3 ASP 127 2HB ASP 127 4.349 10.666 1.462 981 H THR 128 H THR 128 4.573 11.378 -0.826 982 HA THR 128 HA THR 128 2.453 11.696 -2.847 983 HB THR 128 HB THR 128 4.543 13.101 -3.113 984 HG1 THR 128 1HG THR 128 4.299 10.820 -4.942 985 HG21 THR 128 1HG2 THR 128 5.825 10.333 -3.412 986 HG22 THR 128 2HG2 THR 128 6.589 11.858 -3.921 987 HG23 THR 128 3HG2 THR 128 6.255 11.562 -2.198 988 H GLY 129 H GLY 129 1.975 10.015 -4.273 989 HA2 GLY 129 1HA GLY 129 1.810 7.493 -3.354 990 HA3 GLY 129 2HA GLY 129 1.942 7.891 -5.055 991 H GLU 130 H GLU 130 4.618 8.925 -5.137 992 HA GLU 130 HA GLU 130 6.081 6.808 -5.706 993 HB2 GLU 130 1HB GLU 130 6.605 9.586 -5.089 994 HB3 GLU 130 2HB GLU 130 7.907 8.614 -4.433 995 HG2 GLU 130 1HG GLU 130 8.616 9.038 -6.652 996 HG3 GLU 130 2HG GLU 130 7.952 7.419 -6.748 997 H ARG 131 H ARG 131 6.366 8.472 -2.475 998 HA ARG 131 HA ARG 131 7.985 6.665 -1.310 999 HB2 ARG 131 1HB ARG 131 5.770 8.433 -0.215 1000 HB3 ARG 131 2HB ARG 131 6.655 7.383 0.873 1001 HG2 ARG 131 1HG ARG 131 8.713 8.499 0.500 1002 HG3 ARG 131 2HG ARG 131 8.192 9.163 -1.036 1003 HD2 ARG 131 1HD ARG 131 8.243 10.928 0.705 1004 HD3 ARG 131 2HD ARG 131 6.607 10.684 0.125 1005 HE ARG 131 HE ARG 131 6.823 8.950 2.301 1006 HH11 ARG 131 2HH2 ARG 131 7.258 12.408 1.813 1007 HH12 ARG 131 1HH2 ARG 131 6.802 12.823 3.431 1008 HH21 ARG 131 2HH1 ARG 131 6.221 9.498 4.436 1009 HH22 ARG 131 1HH1 ARG 131 6.208 11.157 4.933 1010 H LEU 132 H LEU 132 4.353 6.669 -1.383 1011 HA LEU 132 HA LEU 132 3.972 4.404 0.162 1012 HB2 LEU 132 1HB LEU 132 2.350 5.653 -2.051 1013 HB3 LEU 132 2HB LEU 132 1.789 4.274 -1.128 1014 HG LEU 132 HG LEU 132 2.400 5.926 0.914 1015 HD11 LEU 132 1HD1 LEU 132 1.128 8.064 -0.517 1016 HD12 LEU 132 2HD1 LEU 132 2.666 8.060 0.379 1017 HD13 LEU 132 3HD1 LEU 132 2.638 7.610 -1.343 1018 HD21 LEU 132 1HD2 LEU 132 0.120 6.157 1.251 1019 HD22 LEU 132 2HD2 LEU 132 -0.230 6.314 -0.488 1020 HD23 LEU 132 3HD2 LEU 132 0.213 4.730 0.192 1021 H SER 133 H SER 133 4.757 4.797 -3.314 1022 HA SER 133 HA SER 133 4.314 2.099 -3.929 1023 HB2 SER 133 1HB SER 133 4.831 2.740 -6.062 1024 HB3 SER 133 2HB SER 133 4.703 4.358 -5.400 1025 HG SER 133 HG SER 133 6.683 4.286 -6.454 1026 H HIS 134 H HIS 134 6.830 3.811 -2.248 1027 HA HIS 134 HA HIS 134 8.902 1.948 -2.907 1028 HB2 HIS 134 1HB HIS 134 9.391 4.308 -2.463 1029 HB3 HIS 134 2HB HIS 134 8.756 4.156 -0.837 1030 HD1 HIS 134 1HD HIS 134 10.632 4.096 0.797 1031 HD2 HIS 134 2HD HIS 134 11.567 2.030 -2.732 1032 HE1 HIS 134 1HE HIS 134 12.978 3.148 1.124 1033 H ALA 135 H ALA 135 7.153 2.838 0.159 1034 HA ALA 135 HA ALA 135 8.089 0.892 1.777 1035 HB1 ALA 135 1HB ALA 135 5.399 1.016 2.441 1036 HB2 ALA 135 2HB ALA 135 6.654 2.156 2.983 1037 HB3 ALA 135 3HB ALA 135 5.659 2.539 1.558 1038 H VAL 136 H VAL 136 5.229 0.599 -0.448 1039 HA VAL 136 HA VAL 136 4.732 -2.078 0.119 1040 HB VAL 136 HB VAL 136 3.193 -0.502 -0.979 1041 HG11 VAL 136 1HG1 VAL 136 4.297 -0.915 -3.681 1042 HG12 VAL 136 2HG1 VAL 136 3.589 0.539 -2.937 1043 HG13 VAL 136 3HG1 VAL 136 5.292 0.121 -2.631 1044 HG21 VAL 136 1HG2 VAL 136 2.355 -2.607 -1.267 1045 HG22 VAL 136 2HG2 VAL 136 2.644 -2.199 -2.975 1046 HG23 VAL 136 3HG2 VAL 136 3.818 -3.202 -2.088 1047 H GLY 137 H GLY 137 7.069 -0.471 -2.043 1048 HA2 GLY 137 1HA GLY 137 7.780 -2.908 -3.411 1049 HA3 GLY 137 2HA GLY 137 8.543 -1.336 -3.546 1050 H CYS 138 H CYS 138 8.379 -1.642 -0.286 1051 HA CYS 138 HA CYS 138 11.107 -2.541 -0.155 1052 HB2 CYS 138 1HB CYS 138 9.256 -1.486 2.009 1053 HB3 CYS 138 2HB CYS 138 10.957 -1.851 2.226 1054 HG CYS 138 HG CYS 138 10.551 0.760 1.993 1055 H ALA 139 H ALA 139 7.981 -3.318 1.558 1056 HA ALA 139 HA ALA 139 8.791 -5.582 2.843 1057 HB1 ALA 139 1HB ALA 139 6.239 -4.411 1.885 1058 HB2 ALA 139 2HB ALA 139 6.194 -6.163 2.196 1059 HB3 ALA 139 3HB ALA 139 6.678 -5.042 3.491 1060 H PHE 140 H PHE 140 7.618 -5.209 -0.553 1061 HA PHE 140 HA PHE 140 7.435 -7.845 -1.241 1062 HB2 PHE 140 1HB PHE 140 7.427 -5.281 -2.434 1063 HB3 PHE 140 2HB PHE 140 8.790 -6.057 -3.216 1064 HD1 PHE 140 1HD PHE 140 5.202 -6.669 -2.406 1065 HD2 PHE 140 2HD PHE 140 8.418 -7.379 -5.082 1066 HE1 PHE 140 1HE PHE 140 3.634 -7.836 -3.981 1067 HE2 PHE 140 2HE PHE 140 6.850 -8.546 -6.657 1068 HZ PHE 140 HZ PHE 140 4.477 -8.761 -6.087 1069 H ALA 141 H ALA 141 10.333 -5.727 -1.866 1070 HA ALA 141 HA ALA 141 12.019 -7.684 -2.740 1071 HB1 ALA 141 1HB ALA 141 13.830 -6.141 -1.925 1072 HB2 ALA 141 2HB ALA 141 12.554 -5.319 -2.854 1073 HB3 ALA 141 3HB ALA 141 12.581 -5.196 -1.079 1074 H ALA 142 H ALA 142 10.859 -7.020 0.543 1075 HA ALA 142 HA ALA 142 12.884 -8.619 1.792 1076 HB1 ALA 142 1HB ALA 142 11.767 -8.053 3.810 1077 HB2 ALA 142 2HB ALA 142 11.592 -6.617 2.773 1078 HB3 ALA 142 3HB ALA 142 10.229 -7.745 2.970 1079 H CYS 143 H CYS 143 9.264 -8.964 1.700 1080 HA CYS 143 HA CYS 143 9.104 -11.524 2.492 1081 HB2 CYS 143 1HB CYS 143 7.192 -9.972 1.991 1082 HB3 CYS 143 2HB CYS 143 7.391 -10.333 0.288 1083 HG CYS 143 HG CYS 143 6.230 -12.047 2.772 1084 H LEU 144 H LEU 144 9.795 -10.260 -0.825 1085 HA LEU 144 HA LEU 144 9.870 -12.806 -2.038 1086 HB2 LEU 144 1HB LEU 144 10.858 -10.071 -2.816 1087 HB3 LEU 144 2HB LEU 144 11.135 -11.476 -3.826 1088 HG LEU 144 HG LEU 144 8.539 -10.117 -3.145 1089 HD11 LEU 144 1HD1 LEU 144 8.308 -10.516 -5.705 1090 HD12 LEU 144 2HD1 LEU 144 9.387 -9.233 -5.107 1091 HD13 LEU 144 3HD1 LEU 144 10.066 -10.788 -5.644 1092 HD21 LEU 144 1HD2 LEU 144 7.715 -12.204 -2.754 1093 HD22 LEU 144 2HD2 LEU 144 7.585 -12.177 -4.529 1094 HD23 LEU 144 3HD2 LEU 144 8.952 -13.008 -3.749 1095 H GLU 145 H GLU 145 12.306 -10.682 -0.468 1096 HA GLU 145 HA GLU 145 14.565 -11.945 -1.264 1097 HB2 GLU 145 1HB GLU 145 13.754 -10.168 0.895 1098 HB3 GLU 145 2HB GLU 145 14.943 -11.311 1.486 1099 HG2 GLU 145 1HG GLU 145 15.782 -10.412 -1.133 1100 HG3 GLU 145 2HG GLU 145 15.371 -9.001 -0.178 1101 H ARG 146 H ARG 146 11.982 -13.190 0.709 1102 HA ARG 146 HA ARG 146 13.632 -15.118 2.005 1103 HB2 ARG 146 1HB ARG 146 10.624 -14.632 1.880 1104 HB3 ARG 146 2HB ARG 146 11.282 -16.041 2.688 1105 HG2 ARG 146 1HG ARG 146 11.884 -14.822 4.509 1106 HG3 ARG 146 2HG ARG 146 12.727 -13.643 3.524 1107 HD2 ARG 146 1HD ARG 146 10.802 -12.285 3.255 1108 HD3 ARG 146 2HD ARG 146 9.698 -13.602 3.597 1109 HE ARG 146 HE ARG 146 11.448 -12.926 5.855 1110 HH11 ARG 146 2HH2 ARG 146 8.395 -12.230 4.249 1111 HH12 ARG 146 1HH2 ARG 146 7.652 -11.573 5.669 1112 HH21 ARG 146 2HH1 ARG 146 10.468 -12.060 7.728 1113 HH22 ARG 146 1HH1 ARG 146 8.839 -11.476 7.661 1114 H LYS 147 H LYS 147 11.764 -14.789 -0.961 1115 HA LYS 147 HA LYS 147 11.846 -17.681 -1.391 1116 HB2 LYS 147 1HB LYS 147 10.102 -17.429 -2.899 1117 HB3 LYS 147 2HB LYS 147 9.712 -16.251 -1.662 1118 HG2 LYS 147 1HG LYS 147 10.607 -14.422 -3.014 1119 HG3 LYS 147 2HG LYS 147 11.275 -15.542 -4.185 1120 HD2 LYS 147 1HD LYS 147 8.824 -16.372 -4.525 1121 HD3 LYS 147 2HD LYS 147 8.342 -14.930 -3.654 1122 HE2 LYS 147 1HE LYS 147 8.563 -13.703 -5.548 1123 HE3 LYS 147 2HE LYS 147 10.269 -14.099 -5.613 1124 HZ1 LYS 147 1HZ LYS 147 8.323 -14.960 -7.320 1125 HZ2 LYS 147 2HZ LYS 147 9.875 -15.467 -7.275 1126 HZ3 LYS 147 3HZ LYS 147 8.724 -16.287 -6.455 1127 H GLN 148 H GLN 148 12.840 -14.510 -2.806 1128 HA GLN 148 HA GLN 148 14.620 -16.035 -4.538 1129 HB2 GLN 148 1HB GLN 148 14.694 -13.956 -5.943 1130 HB3 GLN 148 2HB GLN 148 13.089 -14.648 -5.817 1131 HG2 GLN 148 1HG GLN 148 12.291 -12.716 -4.944 1132 HG3 GLN 148 2HG GLN 148 13.419 -12.827 -3.607 1133 HE21 GLN 148 1HE2 GLN 148 13.396 -10.495 -3.762 1134 HE22 GLN 148 2HE2 GLN 148 14.458 -9.682 -4.862 1135 H LYS 149 H LYS 149 16.676 -14.515 -5.140 1136 HA LYS 149 HA LYS 149 17.787 -13.770 -2.537 1137 HB2 LYS 149 1HB LYS 149 18.934 -14.918 -5.057 1138 HB3 LYS 149 2HB LYS 149 19.965 -13.936 -4.036 1139 HG2 LYS 149 1HG LYS 149 18.683 -15.586 -2.181 1140 HG3 LYS 149 2HG LYS 149 18.882 -16.652 -3.558 1141 HD2 LYS 149 1HD LYS 149 21.332 -15.147 -3.216 1142 HD3 LYS 149 2HD LYS 149 20.876 -15.814 -1.661 1143 HE2 LYS 149 1HE LYS 149 20.460 -17.823 -3.729 1144 HE3 LYS 149 2HE LYS 149 22.087 -17.185 -3.858 1145 HZ1 LYS 149 1HZ LYS 149 20.852 -18.574 -1.627 1146 HZ2 LYS 149 2HZ LYS 149 22.332 -18.783 -2.284 1147 HZ3 LYS 149 3HZ LYS 149 22.044 -17.505 -1.309 1148 H ARG 150 H ARG 150 19.630 -11.990 -2.851 1149 HA ARG 150 HA ARG 150 18.368 -9.899 -4.437 1150 HB2 ARG 150 1HB ARG 150 18.199 -9.446 -2.013 1151 HB3 ARG 150 2HB ARG 150 19.922 -9.696 -1.810 1152 HG2 ARG 150 1HG ARG 150 19.941 -7.390 -1.986 1153 HG3 ARG 150 2HG ARG 150 20.063 -7.773 -3.692 1154 HD2 ARG 150 1HD ARG 150 17.400 -7.781 -3.591 1155 HD3 ARG 150 2HD ARG 150 17.639 -6.839 -2.133 1156 HE ARG 150 HE ARG 150 19.253 -5.808 -4.314 1157 HH11 ARG 150 2HH2 ARG 150 15.982 -5.847 -3.017 1158 HH12 ARG 150 1HH2 ARG 150 15.538 -4.340 -3.747 1159 HH21 ARG 150 2HH1 ARG 150 18.668 -3.820 -5.277 1160 HH22 ARG 150 1HH1 ARG 150 17.076 -3.179 -5.041 1161 H SER 151 H SER 151 19.691 -8.738 -5.878 1162 HA SER 151 HA SER 151 22.465 -8.615 -5.566 1163 HB2 SER 151 1HB SER 151 21.363 -10.832 -7.231 1164 HB3 SER 151 2HB SER 151 22.643 -9.902 -7.985 1165 HG SER 151 HG SER 151 24.017 -10.350 -6.175 1166 H GLY 152 H GLY 152 22.241 -6.400 -6.013 1167 HA2 GLY 152 1HA GLY 152 22.506 -5.315 -8.413 1168 HA3 GLY 152 2HA GLY 152 20.773 -5.578 -8.396 1169 HA PRO 153 HA PRO 153 22.099 -2.151 -5.366 1170 HB2 PRO 153 1HB PRO 153 23.862 -0.394 -6.494 1171 HB3 PRO 153 2HB PRO 153 24.348 -1.659 -5.383 1172 HG2 PRO 153 1HG PRO 153 24.686 -1.540 -8.317 1173 HG3 PRO 153 2HG PRO 153 25.517 -2.556 -7.157 1174 HD2 PRO 153 1HD PRO 153 23.403 -3.347 -8.927 1175 HD3 PRO 153 2HD PRO 153 24.155 -4.331 -7.687 1176 H SER 154 H SER 154 21.686 0.320 -5.392 1177 HA SER 154 HA SER 154 20.573 1.292 -7.764 1178 HB2 SER 154 1HB SER 154 18.834 -0.395 -6.241 1179 HB3 SER 154 2HB SER 154 18.272 1.247 -5.998 1180 HG SER 154 HG SER 154 18.167 1.520 -8.311 1181 H SER 155 H SER 155 22.125 2.931 -6.962 1182 HA SER 155 HA SER 155 21.110 4.372 -4.646 1183 HB2 SER 155 1HB SER 155 23.360 5.377 -4.495 1184 HB3 SER 155 2HB SER 155 23.456 3.627 -4.471 1185 HG SER 155 HG SER 155 24.466 5.438 -6.334 1186 H GLY 156 H GLY 156 19.390 5.397 -5.938 1187 HA2 GLY 156 1HA GLY 156 19.083 7.712 -6.616 1188 HA3 GLY 156 2HA GLY 156 20.445 7.526 -7.702 Start of MODEL 14 1 H1 GLY 1 H GLY 1 15.762 -19.733 11.187 2 HA2 GLY 1 1HA GLY 1 15.865 -18.924 8.701 3 HA3 GLY 1 2HA GLY 1 14.295 -18.268 9.117 4 H SER 2 H SER 2 16.155 -16.433 8.382 5 HA SER 2 HA SER 2 16.908 -15.279 10.951 6 HB2 SER 2 1HB SER 2 18.673 -16.085 8.910 7 HB3 SER 2 2HB SER 2 18.548 -14.350 8.697 8 HG SER 2 HG SER 2 20.043 -14.340 10.252 9 H SER 3 H SER 3 16.658 -12.955 11.113 10 HA SER 3 HA SER 3 15.479 -11.682 8.799 11 HB2 SER 3 1HB SER 3 13.741 -10.640 10.425 12 HB3 SER 3 2HB SER 3 13.465 -12.279 9.872 13 HG SER 3 HG SER 3 14.912 -12.657 12.022 14 H GLY 4 H GLY 4 15.627 -10.764 12.304 15 HA2 GLY 4 1HA GLY 4 16.518 -8.195 11.969 16 HA3 GLY 4 2HA GLY 4 16.804 -9.182 13.388 17 H SER 5 H SER 5 18.625 -7.178 12.296 18 HA SER 5 HA SER 5 20.987 -8.343 12.622 19 HB2 SER 5 1HB SER 5 19.974 -8.884 9.873 20 HB3 SER 5 2HB SER 5 21.616 -8.276 9.943 21 HG SER 5 HG SER 5 21.209 -10.220 11.870 22 H SER 6 H SER 6 19.442 -6.284 10.046 23 HA SER 6 HA SER 6 21.493 -4.422 9.997 24 HB2 SER 6 1HB SER 6 19.048 -4.861 8.657 25 HB3 SER 6 2HB SER 6 18.862 -3.279 9.386 26 HG SER 6 HG SER 6 21.082 -2.823 8.428 27 H GLY 7 H GLY 7 21.989 -2.682 11.316 28 HA2 GLY 7 1HA GLY 7 20.557 -2.390 13.785 29 HA3 GLY 7 2HA GLY 7 21.964 -1.495 13.247 30 H ALA 8 H ALA 8 21.732 0.503 12.154 31 HA ALA 8 HA ALA 8 19.349 1.398 11.023 32 HB1 ALA 8 1HB ALA 8 18.184 2.405 12.690 33 HB2 ALA 8 2HB ALA 8 19.082 1.303 13.761 34 HB3 ALA 8 3HB ALA 8 19.660 2.968 13.511 35 H SER 9 H SER 9 19.585 3.595 10.200 36 HA SER 9 HA SER 9 22.114 4.847 10.775 37 HB2 SER 9 1HB SER 9 21.302 3.964 7.970 38 HB3 SER 9 2HB SER 9 22.615 5.076 8.303 39 HG SER 9 HG SER 9 22.938 2.543 8.108 40 H ARG 10 H ARG 10 20.417 6.287 11.791 41 HA ARG 10 HA ARG 10 19.165 8.048 11.828 42 HB2 ARG 10 1HB ARG 10 19.819 9.868 10.496 43 HB3 ARG 10 2HB ARG 10 21.196 8.804 10.289 44 HG2 ARG 10 1HG ARG 10 20.818 8.674 8.059 45 HG3 ARG 10 2HG ARG 10 19.196 8.068 8.334 46 HD2 ARG 10 1HD ARG 10 18.238 10.255 8.320 47 HD3 ARG 10 2HD ARG 10 19.776 11.036 8.626 48 HE ARG 10 HE ARG 10 18.724 10.272 6.037 49 HH11 ARG 10 2HH2 ARG 10 21.728 10.623 7.836 50 HH12 ARG 10 1HH2 ARG 10 22.693 10.887 6.422 51 HH21 ARG 10 2HH1 ARG 10 19.997 10.620 4.171 52 HH22 ARG 10 1HH1 ARG 10 21.702 10.885 4.324 53 HA PRO 11 HA PRO 11 15.485 7.367 9.588 54 HB2 PRO 11 1HB PRO 11 14.220 9.790 9.620 55 HB3 PRO 11 2HB PRO 11 14.238 8.700 10.992 56 HG2 PRO 11 1HG PRO 11 15.763 11.200 10.591 57 HG3 PRO 11 2HG PRO 11 15.440 10.339 12.083 58 HD2 PRO 11 1HD PRO 11 17.901 10.356 10.610 59 HD3 PRO 11 2HD PRO 11 17.540 9.404 12.037 60 H HIS 12 H HIS 12 13.875 8.920 7.924 61 HA HIS 12 HA HIS 12 15.246 10.213 5.937 62 HB2 HIS 12 1HB HIS 12 15.649 7.347 5.837 63 HB3 HIS 12 2HB HIS 12 14.789 7.886 4.408 64 HD1 HIS 12 1HD HIS 12 17.895 6.914 4.684 65 HD2 HIS 12 2HD HIS 12 16.474 10.822 4.139 66 HE1 HIS 12 1HE HIS 12 19.814 8.233 3.640 67 H GLN 13 H GLN 13 13.796 9.416 3.630 68 HA GLN 13 HA GLN 13 11.097 9.927 4.602 69 HB2 GLN 13 1HB GLN 13 11.990 11.766 3.258 70 HB3 GLN 13 2HB GLN 13 12.443 10.667 1.969 71 HG2 GLN 13 1HG GLN 13 10.399 11.514 1.177 72 HG3 GLN 13 2HG GLN 13 9.894 10.014 1.929 73 HE21 GLN 13 1HE2 GLN 13 9.979 13.484 2.148 74 HE22 GLN 13 2HE2 GLN 13 8.819 13.689 3.417 75 H TRP 14 H TRP 14 13.154 7.958 2.439 76 HA TRP 14 HA TRP 14 10.796 6.311 1.829 77 HB2 TRP 14 1HB TRP 14 13.388 6.651 0.310 78 HB3 TRP 14 2HB TRP 14 12.146 5.479 -0.085 79 HD1 TRP 14 HD TRP 14 11.716 9.287 0.725 80 HE1 TRP 14 1HE TRP 14 10.387 10.493 -1.209 81 HE3 TRP 14 3HE TRP 14 11.323 5.196 -2.269 82 HZ2 TRP 14 2HZ TRP 14 9.344 9.621 -3.718 83 HZ3 TRP 14 3HZ TRP 14 10.134 5.460 -4.444 84 HH2 TRP 14 HH TRP 14 9.163 7.577 -5.184 85 H GLN 15 H GLN 15 14.319 6.322 2.692 86 HA GLN 15 HA GLN 15 14.592 3.627 3.050 87 HB2 GLN 15 1HB GLN 15 16.595 4.842 3.078 88 HB3 GLN 15 2HB GLN 15 15.971 6.062 4.171 89 HG2 GLN 15 1HG GLN 15 16.357 4.767 6.077 90 HG3 GLN 15 2HG GLN 15 16.151 3.249 5.225 91 HE21 GLN 15 1HE2 GLN 15 17.838 2.273 4.221 92 HE22 GLN 15 2HE2 GLN 15 19.486 2.794 4.334 93 H THR 16 H THR 16 13.222 6.128 5.213 94 HA THR 16 HA THR 16 13.178 4.629 7.570 95 HB THR 16 HB THR 16 12.819 7.065 7.493 96 HG1 THR 16 1HG THR 16 10.349 5.597 8.094 97 HG21 THR 16 1HG2 THR 16 11.535 7.094 5.280 98 HG22 THR 16 2HG2 THR 16 10.140 6.423 6.159 99 HG23 THR 16 3HG2 THR 16 10.766 8.035 6.581 100 H ASP 17 H ASP 17 11.311 4.339 4.619 101 HA ASP 17 HA ASP 17 9.253 2.869 5.973 102 HB2 ASP 17 1HB ASP 17 9.801 3.620 3.077 103 HB3 ASP 17 2HB ASP 17 8.527 2.488 3.485 104 H GLU 18 H GLU 18 12.401 2.335 4.762 105 HA GLU 18 HA GLU 18 11.825 -0.360 3.887 106 HB2 GLU 18 1HB GLU 18 13.353 1.112 2.545 107 HB3 GLU 18 2HB GLU 18 14.460 1.177 3.901 108 HG2 GLU 18 1HG GLU 18 15.083 -1.086 3.690 109 HG3 GLU 18 2HG GLU 18 13.589 -1.534 2.891 110 H GLU 19 H GLU 19 12.681 1.380 6.722 111 HA GLU 19 HA GLU 19 14.128 -0.869 7.823 112 HB2 GLU 19 1HB GLU 19 14.882 0.591 9.512 113 HB3 GLU 19 2HB GLU 19 14.806 1.627 8.101 114 HG2 GLU 19 1HG GLU 19 12.490 2.363 8.826 115 HG3 GLU 19 2HG GLU 19 12.680 1.410 10.284 116 H GLY 20 H GLY 20 11.085 1.011 8.194 117 HA2 GLY 20 1HA GLY 20 10.177 -0.362 10.512 118 HA3 GLY 20 2HA GLY 20 9.234 0.644 9.430 119 H VAL 21 H VAL 21 10.707 -1.477 7.350 120 HA VAL 21 HA VAL 21 8.362 -3.216 7.383 121 HB VAL 21 HB VAL 21 8.883 -1.945 5.351 122 HG11 VAL 21 1HG1 VAL 21 10.919 -2.917 4.011 123 HG12 VAL 21 2HG1 VAL 21 11.176 -1.641 5.225 124 HG13 VAL 21 3HG1 VAL 21 11.533 -3.338 5.628 125 HG21 VAL 21 1HG2 VAL 21 9.191 -4.957 5.140 126 HG22 VAL 21 2HG2 VAL 21 7.681 -4.016 5.085 127 HG23 VAL 21 3HG2 VAL 21 8.862 -3.881 3.761 128 H ARG 22 H ARG 22 11.722 -3.094 8.237 129 HA ARG 22 HA ARG 22 11.936 -5.967 8.016 130 HB2 ARG 22 1HB ARG 22 14.332 -5.630 8.497 131 HB3 ARG 22 2HB ARG 22 13.837 -4.540 7.217 132 HG2 ARG 22 1HG ARG 22 13.970 -2.639 8.581 133 HG3 ARG 22 2HG ARG 22 13.642 -3.534 10.052 134 HD2 ARG 22 1HD ARG 22 15.978 -4.698 9.544 135 HD3 ARG 22 2HD ARG 22 16.252 -3.297 8.527 136 HE ARG 22 HE ARG 22 16.429 -1.949 10.444 137 HH11 ARG 22 2HH2 ARG 22 15.061 -5.071 11.318 138 HH12 ARG 22 1HH2 ARG 22 15.174 -4.786 13.023 139 HH21 ARG 22 2HH1 ARG 22 16.578 -1.573 12.694 140 HH22 ARG 22 1HH1 ARG 22 16.042 -2.783 13.811 141 H THR 23 H THR 23 11.393 -3.354 10.304 142 HA THR 23 HA THR 23 11.859 -5.185 12.557 143 HB THR 23 HB THR 23 13.145 -3.099 12.674 144 HG1 THR 23 1HG THR 23 10.674 -2.776 14.207 145 HG21 THR 23 1HG2 THR 23 10.693 -1.951 11.549 146 HG22 THR 23 2HG2 THR 23 11.135 -1.128 13.064 147 HG23 THR 23 3HG2 THR 23 12.298 -1.201 11.718 148 H GLY 24 H GLY 24 9.440 -3.195 10.857 149 HA2 GLY 24 1HA GLY 24 7.183 -3.911 10.851 150 HA3 GLY 24 2HA GLY 24 7.377 -4.540 12.475 151 H LYS 25 H LYS 25 7.697 -1.407 10.655 152 HA LYS 25 HA LYS 25 5.851 -0.100 12.316 153 HB2 LYS 25 1HB LYS 25 7.487 1.494 13.398 154 HB3 LYS 25 2HB LYS 25 7.422 -0.120 14.077 155 HG2 LYS 25 1HG LYS 25 9.722 0.084 13.874 156 HG3 LYS 25 2HG LYS 25 9.374 -0.590 12.295 157 HD2 LYS 25 1HD LYS 25 9.597 1.500 11.199 158 HD3 LYS 25 2HD LYS 25 9.302 2.416 12.664 159 HE2 LYS 25 1HE LYS 25 11.765 0.648 12.342 160 HE3 LYS 25 2HE LYS 25 11.748 2.318 11.809 161 HZ1 LYS 25 1HZ LYS 25 10.729 2.035 14.434 162 HZ2 LYS 25 2HZ LYS 25 12.252 1.459 14.318 163 HZ3 LYS 25 3HZ LYS 25 11.927 3.000 13.887 164 H CYS 26 H CYS 26 6.426 -0.597 9.504 165 HA CYS 26 HA CYS 26 7.292 2.032 8.600 166 HB2 CYS 26 1HB CYS 26 8.431 0.274 7.462 167 HB3 CYS 26 2HB CYS 26 6.950 -0.616 7.174 168 HG CYS 26 HG CYS 26 6.602 2.380 6.220 169 H SER 27 H SER 27 5.274 3.047 9.446 170 HA SER 27 HA SER 27 3.083 2.550 7.596 171 HB2 SER 27 1HB SER 27 1.446 2.687 9.334 172 HB3 SER 27 2HB SER 27 2.667 1.576 9.922 173 HG SER 27 HG SER 27 2.117 4.264 10.743 174 H PHE 28 H PHE 28 1.895 4.454 6.970 175 HA PHE 28 HA PHE 28 2.898 6.967 8.073 176 HB2 PHE 28 1HB PHE 28 2.543 7.503 5.372 177 HB3 PHE 28 2HB PHE 28 4.098 7.107 6.075 178 HD1 PHE 28 1HD PHE 28 4.811 4.649 6.078 179 HD2 PHE 28 2HD PHE 28 1.588 6.119 3.741 180 HE1 PHE 28 1HE PHE 28 4.968 2.632 4.592 181 HE2 PHE 28 2HE PHE 28 1.746 4.102 2.255 182 HZ PHE 28 HZ PHE 28 3.434 2.383 2.699 183 HA PRO 29 HA PRO 29 -1.238 8.204 7.726 184 HB2 PRO 29 1HB PRO 29 -1.078 10.885 7.224 185 HB3 PRO 29 2HB PRO 29 -0.850 10.194 8.818 186 HG2 PRO 29 1HG PRO 29 1.180 11.258 6.952 187 HG3 PRO 29 2HG PRO 29 1.319 10.965 8.674 188 HD2 PRO 29 1HD PRO 29 2.391 9.342 6.565 189 HD3 PRO 29 2HD PRO 29 2.428 8.990 8.282 190 H VAL 30 H VAL 30 -2.655 7.487 6.277 191 HA VAL 30 HA VAL 30 -2.535 8.824 3.691 192 HB VAL 30 HB VAL 30 -2.422 6.873 2.433 193 HG11 VAL 30 1HG1 VAL 30 -0.383 5.687 3.212 194 HG12 VAL 30 2HG1 VAL 30 -0.239 7.458 3.325 195 HG13 VAL 30 3HG1 VAL 30 -0.544 6.494 4.790 196 HG21 VAL 30 1HG2 VAL 30 -2.737 5.187 4.937 197 HG22 VAL 30 2HG2 VAL 30 -4.063 5.590 3.820 198 HG23 VAL 30 3HG2 VAL 30 -2.683 4.619 3.251 199 H LYS 31 H LYS 31 -4.576 7.824 2.352 200 HA LYS 31 HA LYS 31 -6.791 7.703 4.277 201 HB2 LYS 31 1HB LYS 31 -6.460 9.429 1.830 202 HB3 LYS 31 2HB LYS 31 -8.056 8.964 2.381 203 HG2 LYS 31 1HG LYS 31 -7.991 10.486 4.063 204 HG3 LYS 31 2HG LYS 31 -6.482 9.830 4.667 205 HD2 LYS 31 1HD LYS 31 -5.934 12.070 4.098 206 HD3 LYS 31 2HD LYS 31 -5.321 11.136 2.748 207 HE2 LYS 31 1HE LYS 31 -6.773 12.104 1.274 208 HE3 LYS 31 2HE LYS 31 -8.140 11.894 2.350 209 HZ1 LYS 31 1HZ LYS 31 -7.729 14.188 2.086 210 HZ2 LYS 31 2HZ LYS 31 -7.281 13.811 3.610 211 HZ3 LYS 31 3HZ LYS 31 -6.146 14.046 2.460 212 H TYR 32 H TYR 32 -8.510 6.300 3.754 213 HA TYR 32 HA TYR 32 -7.769 4.307 1.756 214 HB2 TYR 32 1HB TYR 32 -8.374 3.775 4.189 215 HB3 TYR 32 2HB TYR 32 -9.947 4.502 3.930 216 HD1 TYR 32 1HD TYR 32 -8.400 2.483 1.277 217 HD2 TYR 32 2HD TYR 32 -11.097 2.446 4.598 218 HE1 TYR 32 1HE TYR 32 -9.316 0.236 0.518 219 HE2 TYR 32 2HE TYR 32 -12.004 0.199 3.828 220 HH TYR 32 HH TYR 32 -10.483 -1.773 1.847 221 H LEU 33 H LEU 33 -8.466 4.849 -0.277 222 HA LEU 33 HA LEU 33 -10.843 6.360 -0.664 223 HB2 LEU 33 1HB LEU 33 -8.992 4.894 -2.543 224 HB3 LEU 33 2HB LEU 33 -10.383 5.815 -3.079 225 HG LEU 33 HG LEU 33 -8.095 6.989 -1.477 226 HD11 LEU 33 1HD1 LEU 33 -7.222 7.900 -3.527 227 HD12 LEU 33 2HD1 LEU 33 -7.355 6.132 -3.687 228 HD13 LEU 33 3HD1 LEU 33 -8.558 7.189 -4.464 229 HD21 LEU 33 1HD2 LEU 33 -9.124 9.121 -2.599 230 HD22 LEU 33 2HD2 LEU 33 -10.588 8.114 -2.703 231 HD23 LEU 33 3HD2 LEU 33 -9.844 8.441 -1.120 232 H GLY 34 H GLY 34 -9.895 2.894 -1.079 233 HA2 GLY 34 1HA GLY 34 -11.923 1.535 -0.203 234 HA3 GLY 34 2HA GLY 34 -12.710 2.234 -1.604 235 H HIS 35 H HIS 35 -12.973 0.040 -2.463 236 HA HIS 35 HA HIS 35 -10.499 -0.863 -3.734 237 HB2 HIS 35 1HB HIS 35 -11.618 -3.220 -3.475 238 HB3 HIS 35 2HB HIS 35 -10.643 -2.538 -2.189 239 HD1 HIS 35 1HD HIS 35 -11.728 -3.321 -0.072 240 HD2 HIS 35 2HD HIS 35 -14.524 -1.889 -2.852 241 HE1 HIS 35 1HE HIS 35 -13.992 -3.360 1.105 242 H VAL 36 H VAL 36 -10.700 -1.486 -5.899 243 HA VAL 36 HA VAL 36 -13.422 -1.361 -6.988 244 HB VAL 36 HB VAL 36 -12.576 -0.126 -8.895 245 HG11 VAL 36 1HG1 VAL 36 -13.338 0.979 -6.663 246 HG12 VAL 36 2HG1 VAL 36 -11.623 1.425 -6.493 247 HG13 VAL 36 3HG1 VAL 36 -12.552 1.983 -7.905 248 HG21 VAL 36 1HG2 VAL 36 -9.926 0.074 -7.427 249 HG22 VAL 36 2HG2 VAL 36 -10.241 -1.011 -8.803 250 HG23 VAL 36 3HG2 VAL 36 -10.331 0.753 -9.022 251 H GLU 37 H GLU 37 -13.556 -2.448 -9.184 252 HA GLU 37 HA GLU 37 -12.023 -4.876 -8.998 253 HB2 GLU 37 1HB GLU 37 -14.645 -4.089 -10.023 254 HB3 GLU 37 2HB GLU 37 -13.772 -5.026 -11.219 255 HG2 GLU 37 1HG GLU 37 -14.286 -6.913 -10.075 256 HG3 GLU 37 2HG GLU 37 -13.302 -6.345 -8.741 257 H VAL 38 H VAL 38 -10.575 -5.638 -10.590 258 HA VAL 38 HA VAL 38 -9.872 -3.626 -12.611 259 HB VAL 38 HB VAL 38 -7.632 -4.528 -12.518 260 HG11 VAL 38 1HG1 VAL 38 -6.966 -3.626 -10.439 261 HG12 VAL 38 2HG1 VAL 38 -8.475 -2.777 -10.850 262 HG13 VAL 38 3HG1 VAL 38 -8.492 -4.092 -9.650 263 HG21 VAL 38 1HG2 VAL 38 -8.937 -6.644 -10.875 264 HG22 VAL 38 2HG2 VAL 38 -7.601 -6.757 -12.046 265 HG23 VAL 38 3HG2 VAL 38 -7.294 -6.148 -10.402 266 H ASP 39 H ASP 39 -8.452 -5.019 -14.426 267 HA ASP 39 HA ASP 39 -10.149 -7.278 -15.118 268 HB2 ASP 39 1HB ASP 39 -10.497 -4.916 -16.361 269 HB3 ASP 39 2HB ASP 39 -9.103 -5.447 -17.280 270 H GLU 40 H GLU 40 -7.132 -5.351 -15.678 271 HA GLU 40 HA GLU 40 -5.864 -7.587 -16.937 272 HB2 GLU 40 1HB GLU 40 -4.599 -4.951 -16.084 273 HB3 GLU 40 2HB GLU 40 -3.987 -6.080 -17.278 274 HG2 GLU 40 1HG GLU 40 -6.768 -5.006 -17.702 275 HG3 GLU 40 2HG GLU 40 -5.435 -3.896 -17.957 276 H SER 41 H SER 41 -5.635 -5.724 -13.848 277 HA SER 41 HA SER 41 -5.103 -6.495 -11.847 278 HB2 SER 41 1HB SER 41 -4.708 -8.731 -11.373 279 HB3 SER 41 2HB SER 41 -5.482 -8.890 -12.937 280 HG SER 41 HG SER 41 -3.212 -8.812 -13.846 281 H ARG 42 H ARG 42 -3.249 -5.634 -14.432 282 HA ARG 42 HA ARG 42 -1.080 -4.949 -12.750 283 HB2 ARG 42 1HB ARG 42 0.665 -6.029 -14.282 284 HB3 ARG 42 2HB ARG 42 -0.239 -7.153 -13.288 285 HG2 ARG 42 1HG ARG 42 -1.798 -6.870 -15.636 286 HG3 ARG 42 2HG ARG 42 -0.144 -6.929 -16.211 287 HD2 ARG 42 1HD ARG 42 -0.821 -8.929 -14.092 288 HD3 ARG 42 2HD ARG 42 -1.643 -9.158 -15.623 289 HE ARG 42 HE ARG 42 0.985 -8.723 -16.383 290 HH11 ARG 42 2HH2 ARG 42 -0.568 -10.953 -14.147 291 HH12 ARG 42 1HH2 ARG 42 0.624 -12.192 -14.354 292 HH21 ARG 42 2HH1 ARG 42 2.559 -10.358 -16.656 293 HH22 ARG 42 1HH1 ARG 42 2.415 -11.851 -15.791 294 H GLY 43 H GLY 43 -0.520 -2.889 -13.398 295 HA2 GLY 43 1HA GLY 43 0.301 -1.953 -15.747 296 HA3 GLY 43 2HA GLY 43 -1.433 -1.958 -16.002 297 H MET 44 H MET 44 0.938 0.123 -15.332 298 HA MET 44 HA MET 44 0.245 1.347 -12.963 299 HB2 MET 44 1HB MET 44 1.337 2.585 -15.552 300 HB3 MET 44 2HB MET 44 1.448 3.325 -13.968 301 HG2 MET 44 1HG MET 44 3.187 1.970 -13.311 302 HG3 MET 44 2HG MET 44 2.486 0.542 -14.047 303 HE1 MET 44 1HE MET 44 3.959 0.271 -17.455 304 HE2 MET 44 2HE MET 44 3.351 -0.539 -15.991 305 HE3 MET 44 3HE MET 44 2.278 0.527 -16.929 306 H HIS 45 H HIS 45 -1.303 1.383 -16.134 307 HA HIS 45 HA HIS 45 -2.741 3.796 -15.675 308 HB2 HIS 45 1HB HIS 45 -3.871 3.279 -17.737 309 HB3 HIS 45 2HB HIS 45 -2.152 2.992 -17.925 310 HD1 HIS 45 1HD HIS 45 -1.389 0.617 -18.513 311 HD2 HIS 45 2HD HIS 45 -5.482 0.881 -17.634 312 HE1 HIS 45 1HE HIS 45 -2.408 -1.626 -19.175 313 H ILE 46 H ILE 46 -2.939 0.600 -14.458 314 HA ILE 46 HA ILE 46 -5.781 0.464 -14.259 315 HB ILE 46 HB ILE 46 -3.699 -1.091 -12.727 316 HG12 ILE 46 1HG1 ILE 46 -3.177 -1.204 -15.108 317 HG13 ILE 46 2HG1 ILE 46 -3.772 -2.744 -14.519 318 HG21 ILE 46 1HG2 ILE 46 -5.455 -2.056 -11.776 319 HG22 ILE 46 2HG2 ILE 46 -6.581 -1.119 -12.788 320 HG23 ILE 46 3HG2 ILE 46 -5.934 -2.670 -13.377 321 HD11 ILE 46 1HD1 ILE 46 -4.855 -2.282 -16.647 322 HD12 ILE 46 2HD1 ILE 46 -6.080 -2.113 -15.366 323 HD13 ILE 46 3HD1 ILE 46 -5.350 -0.663 -16.096 324 H CYS 47 H CYS 47 -3.106 0.998 -11.854 325 HA CYS 47 HA CYS 47 -4.630 1.494 -9.677 326 HB2 CYS 47 1HB CYS 47 -2.363 1.424 -9.233 327 HB3 CYS 47 2HB CYS 47 -1.943 2.475 -10.570 328 HG CYS 47 HG CYS 47 -2.551 4.680 -9.596 329 H GLU 48 H GLU 48 -3.648 3.772 -12.320 330 HA GLU 48 HA GLU 48 -4.800 6.023 -11.212 331 HB2 GLU 48 1HB GLU 48 -4.050 5.189 -14.020 332 HB3 GLU 48 2HB GLU 48 -4.910 6.696 -13.775 333 HG2 GLU 48 1HG GLU 48 -2.875 7.630 -13.367 334 HG3 GLU 48 2HG GLU 48 -2.938 6.828 -11.811 335 H ASP 49 H ASP 49 -6.098 3.807 -13.795 336 HA ASP 49 HA ASP 49 -8.512 4.999 -14.086 337 HB2 ASP 49 1HB ASP 49 -7.302 2.405 -14.662 338 HB3 ASP 49 2HB ASP 49 -8.980 2.184 -14.207 339 H ALA 50 H ALA 50 -7.246 2.945 -11.481 340 HA ALA 50 HA ALA 50 -9.699 2.113 -10.389 341 HB1 ALA 50 1HB ALA 50 -8.380 1.290 -8.624 342 HB2 ALA 50 2HB ALA 50 -7.262 1.274 -10.009 343 HB3 ALA 50 3HB ALA 50 -7.166 2.580 -8.803 344 H VAL 51 H VAL 51 -7.381 4.674 -9.235 345 HA VAL 51 HA VAL 51 -8.975 5.766 -7.319 346 HB VAL 51 HB VAL 51 -7.139 7.264 -9.197 347 HG11 VAL 51 1HG1 VAL 51 -7.590 9.036 -7.920 348 HG12 VAL 51 2HG1 VAL 51 -8.653 8.059 -6.880 349 HG13 VAL 51 3HG1 VAL 51 -6.913 8.167 -6.522 350 HG21 VAL 51 1HG2 VAL 51 -6.597 5.211 -7.144 351 HG22 VAL 51 2HG2 VAL 51 -5.597 5.769 -8.507 352 HG23 VAL 51 3HG2 VAL 51 -5.631 6.698 -6.989 353 H LYS 52 H LYS 52 -8.700 6.978 -10.741 354 HA LYS 52 HA LYS 52 -10.602 8.870 -10.703 355 HB2 LYS 52 1HB LYS 52 -9.955 6.861 -12.875 356 HB3 LYS 52 2HB LYS 52 -11.002 8.243 -13.127 357 HG2 LYS 52 1HG LYS 52 -9.215 9.618 -13.361 358 HG3 LYS 52 2HG LYS 52 -8.604 9.155 -11.786 359 HD2 LYS 52 1HD LYS 52 -7.013 7.802 -12.692 360 HD3 LYS 52 2HD LYS 52 -8.176 7.007 -13.734 361 HE2 LYS 52 1HE LYS 52 -7.441 9.813 -14.494 362 HE3 LYS 52 2HE LYS 52 -6.174 8.616 -14.670 363 HZ1 LYS 52 1HZ LYS 52 -7.240 7.675 -16.357 364 HZ2 LYS 52 2HZ LYS 52 -8.710 7.753 -15.651 365 HZ3 LYS 52 3HZ LYS 52 -8.116 9.051 -16.444 366 H ARG 53 H ARG 53 -11.166 5.316 -11.103 367 HA ARG 53 HA ARG 53 -13.816 5.370 -11.543 368 HB2 ARG 53 1HB ARG 53 -11.936 3.417 -10.997 369 HB3 ARG 53 2HB ARG 53 -12.938 3.308 -9.563 370 HG2 ARG 53 1HG ARG 53 -14.939 2.901 -10.883 371 HG3 ARG 53 2HG ARG 53 -14.117 3.309 -12.375 372 HD2 ARG 53 1HD ARG 53 -12.480 1.297 -11.464 373 HD3 ARG 53 2HD ARG 53 -14.008 0.781 -10.779 374 HE ARG 53 HE ARG 53 -13.278 0.699 -13.571 375 HH11 ARG 53 2HH2 ARG 53 -16.028 1.264 -11.450 376 HH12 ARG 53 1HH2 ARG 53 -17.200 0.770 -12.626 377 HH21 ARG 53 2HH1 ARG 53 -14.823 0.047 -15.123 378 HH22 ARG 53 1HH1 ARG 53 -16.510 0.073 -14.729 379 H LEU 54 H LEU 54 -12.202 5.091 -8.284 380 HA LEU 54 HA LEU 54 -14.554 5.277 -6.807 381 HB2 LEU 54 1HB LEU 54 -11.771 6.113 -5.984 382 HB3 LEU 54 2HB LEU 54 -13.102 5.706 -4.920 383 HG LEU 54 HG LEU 54 -11.989 3.708 -6.892 384 HD11 LEU 54 1HD1 LEU 54 -10.105 4.475 -5.557 385 HD12 LEU 54 2HD1 LEU 54 -11.027 4.198 -4.060 386 HD13 LEU 54 3HD1 LEU 54 -10.571 2.821 -5.092 387 HD21 LEU 54 1HD2 LEU 54 -13.944 2.799 -6.137 388 HD22 LEU 54 2HD2 LEU 54 -12.833 2.217 -4.873 389 HD23 LEU 54 3HD2 LEU 54 -13.864 3.636 -4.567 390 H LYS 55 H LYS 55 -12.470 7.733 -8.324 391 HA LYS 55 HA LYS 55 -13.488 9.929 -6.896 392 HB2 LYS 55 1HB LYS 55 -11.766 9.446 -9.238 393 HB3 LYS 55 2HB LYS 55 -12.675 10.942 -9.320 394 HG2 LYS 55 1HG LYS 55 -10.761 11.620 -8.140 395 HG3 LYS 55 2HG LYS 55 -11.882 11.296 -6.832 396 HD2 LYS 55 1HD LYS 55 -10.861 9.199 -6.308 397 HD3 LYS 55 2HD LYS 55 -10.048 9.103 -7.857 398 HE2 LYS 55 1HE LYS 55 -8.585 9.758 -5.836 399 HE3 LYS 55 2HE LYS 55 -8.440 10.769 -7.260 400 HZ1 LYS 55 1HZ LYS 55 -8.955 11.696 -4.842 401 HZ2 LYS 55 2HZ LYS 55 -9.386 12.477 -6.210 402 HZ3 LYS 55 3HZ LYS 55 -10.481 11.568 -5.409 403 H ALA 56 H ALA 56 -14.744 7.929 -9.501 404 HA ALA 56 HA ALA 56 -16.815 9.922 -10.050 405 HB1 ALA 56 1HB ALA 56 -15.363 7.966 -11.604 406 HB2 ALA 56 2HB ALA 56 -17.105 7.610 -11.679 407 HB3 ALA 56 3HB ALA 56 -16.503 9.215 -12.158 408 H THR 57 H THR 57 -16.119 6.959 -8.331 409 HA THR 57 HA THR 57 -18.769 5.932 -8.300 410 HB THR 57 HB THR 57 -16.255 4.994 -7.686 411 HG1 THR 57 1HG THR 57 -17.662 3.257 -6.664 412 HG21 THR 57 1HG2 THR 57 -16.169 6.165 -5.483 413 HG22 THR 57 2HG2 THR 57 -17.752 5.474 -5.055 414 HG23 THR 57 3HG2 THR 57 -16.340 4.408 -5.250 415 H GLY 58 H GLY 58 -17.336 8.696 -6.859 416 HA2 GLY 58 1HA GLY 58 -18.120 10.184 -5.370 417 HA3 GLY 58 2HA GLY 58 -19.705 9.470 -5.587 418 H LYS 59 H LYS 59 -16.522 8.576 -4.057 419 HA LYS 59 HA LYS 59 -18.084 7.527 -1.801 420 HB2 LYS 59 1HB LYS 59 -16.404 6.104 -3.362 421 HB3 LYS 59 2HB LYS 59 -15.251 6.703 -2.188 422 HG2 LYS 59 1HG LYS 59 -15.935 4.895 -0.954 423 HG3 LYS 59 2HG LYS 59 -17.262 5.944 -0.496 424 HD2 LYS 59 1HD LYS 59 -18.799 4.817 -1.809 425 HD3 LYS 59 2HD LYS 59 -17.635 4.475 -3.073 426 HE2 LYS 59 1HE LYS 59 -16.607 2.690 -1.700 427 HE3 LYS 59 2HE LYS 59 -17.662 3.077 -0.356 428 HZ1 LYS 59 1HZ LYS 59 -18.193 1.347 -2.382 429 HZ2 LYS 59 2HZ LYS 59 -19.257 1.881 -1.264 430 HZ3 LYS 59 3HZ LYS 59 -19.145 2.633 -2.709 431 H LYS 60 H LYS 60 -15.420 7.366 -0.304 432 HA LYS 60 HA LYS 60 -14.618 10.098 -0.023 433 HB2 LYS 60 1HB LYS 60 -15.664 10.716 1.892 434 HB3 LYS 60 2HB LYS 60 -16.911 9.657 1.265 435 HG2 LYS 60 1HG LYS 60 -16.017 7.770 2.623 436 HG3 LYS 60 2HG LYS 60 -14.726 8.793 3.220 437 HD2 LYS 60 1HD LYS 60 -16.091 9.871 4.717 438 HD3 LYS 60 2HD LYS 60 -17.424 9.973 3.584 439 HE2 LYS 60 1HE LYS 60 -17.256 7.222 4.108 440 HE3 LYS 60 2HE LYS 60 -16.881 7.941 5.662 441 HZ1 LYS 60 1HZ LYS 60 -19.142 7.881 5.678 442 HZ2 LYS 60 2HZ LYS 60 -18.912 9.397 5.117 443 HZ3 LYS 60 3HZ LYS 60 -19.310 8.196 4.085 444 H ALA 61 H ALA 61 -12.807 10.299 1.535 445 HA ALA 61 HA ALA 61 -11.426 7.722 1.740 446 HB1 ALA 61 1HB ALA 61 -10.679 10.287 0.764 447 HB2 ALA 61 2HB ALA 61 -9.761 10.023 2.266 448 HB3 ALA 61 3HB ALA 61 -9.653 8.843 0.938 449 H VAL 62 H VAL 62 -10.614 6.990 3.721 450 HA VAL 62 HA VAL 62 -11.704 8.413 6.030 451 HB VAL 62 HB VAL 62 -10.877 5.576 5.475 452 HG11 VAL 62 1HG1 VAL 62 -9.873 6.063 7.618 453 HG12 VAL 62 2HG1 VAL 62 -11.371 6.834 8.194 454 HG13 VAL 62 3HG1 VAL 62 -11.335 5.082 7.881 455 HG21 VAL 62 1HG2 VAL 62 -13.121 5.924 4.882 456 HG22 VAL 62 2HG2 VAL 62 -13.210 5.228 6.518 457 HG23 VAL 62 3HG2 VAL 62 -13.427 6.979 6.283 458 H LYS 63 H LYS 63 -10.316 8.485 8.026 459 HA LYS 63 HA LYS 63 -7.577 9.107 7.209 460 HB2 LYS 63 1HB LYS 63 -9.376 10.091 9.417 461 HB3 LYS 63 2HB LYS 63 -7.638 10.269 9.540 462 HG2 LYS 63 1HG LYS 63 -8.393 11.074 6.880 463 HG3 LYS 63 2HG LYS 63 -9.502 11.850 7.993 464 HD2 LYS 63 1HD LYS 63 -7.789 13.407 8.071 465 HD3 LYS 63 2HD LYS 63 -7.242 12.353 9.360 466 HE2 LYS 63 1HE LYS 63 -5.757 11.142 7.779 467 HE3 LYS 63 2HE LYS 63 -6.347 12.114 6.446 468 HZ1 LYS 63 1HZ LYS 63 -5.571 13.935 8.280 469 HZ2 LYS 63 2HZ LYS 63 -4.429 12.775 8.422 470 HZ3 LYS 63 3HZ LYS 63 -4.707 13.475 6.972 471 H ALA 64 H ALA 64 -6.530 7.120 7.241 472 HA ALA 64 HA ALA 64 -6.307 5.944 9.909 473 HB1 ALA 64 1HB ALA 64 -7.498 4.156 9.236 474 HB2 ALA 64 2HB ALA 64 -7.556 4.747 7.558 475 HB3 ALA 64 3HB ALA 64 -6.164 3.789 8.116 476 H VAL 65 H VAL 65 -4.342 4.376 9.934 477 HA VAL 65 HA VAL 65 -2.222 5.689 8.395 478 HB VAL 65 HB VAL 65 -2.274 4.200 11.018 479 HG11 VAL 65 1HG1 VAL 65 0.086 4.993 9.301 480 HG12 VAL 65 2HG1 VAL 65 0.224 4.794 11.065 481 HG13 VAL 65 3HG1 VAL 65 -0.272 3.418 10.051 482 HG21 VAL 65 1HG2 VAL 65 -1.758 6.237 12.032 483 HG22 VAL 65 2HG2 VAL 65 -1.162 6.958 10.518 484 HG23 VAL 65 3HG2 VAL 65 -2.908 6.708 10.757 485 H LEU 66 H LEU 66 -1.266 4.600 6.754 486 HA LEU 66 HA LEU 66 -2.014 1.826 6.392 487 HB2 LEU 66 1HB LEU 66 -2.279 3.090 4.462 488 HB3 LEU 66 2HB LEU 66 -0.774 3.958 4.690 489 HG LEU 66 HG LEU 66 0.519 1.997 4.070 490 HD11 LEU 66 1HD1 LEU 66 -0.316 -0.120 3.654 491 HD12 LEU 66 2HD1 LEU 66 -1.297 0.409 5.042 492 HD13 LEU 66 3HD1 LEU 66 -1.977 0.466 3.399 493 HD21 LEU 66 1HD2 LEU 66 0.004 1.915 1.740 494 HD22 LEU 66 2HD2 LEU 66 -1.687 2.384 2.034 495 HD23 LEU 66 3HD2 LEU 66 -0.377 3.553 2.322 496 H TRP 67 H TRP 67 -0.829 0.229 7.276 497 HA TRP 67 HA TRP 67 1.942 0.822 7.966 498 HB2 TRP 67 1HB TRP 67 0.127 -1.469 8.738 499 HB3 TRP 67 2HB TRP 67 1.790 -1.285 9.257 500 HD1 TRP 67 HD TRP 67 -1.527 0.771 9.540 501 HE1 TRP 67 1HE TRP 67 -1.624 2.051 11.846 502 HE3 TRP 67 3HE TRP 67 3.089 -0.656 11.124 503 HZ2 TRP 67 2HZ TRP 67 0.201 2.317 14.024 504 HZ3 TRP 67 3HZ TRP 67 3.856 0.158 13.352 505 HH2 TRP 67 HH TRP 67 2.494 1.595 14.785 506 H VAL 68 H VAL 68 3.682 -0.495 7.177 507 HA VAL 68 HA VAL 68 2.940 -2.298 4.985 508 HB VAL 68 HB VAL 68 5.187 -0.273 4.965 509 HG11 VAL 68 1HG1 VAL 68 6.052 -1.777 3.515 510 HG12 VAL 68 2HG1 VAL 68 4.487 -2.586 3.254 511 HG13 VAL 68 3HG1 VAL 68 4.867 -1.079 2.385 512 HG21 VAL 68 1HG2 VAL 68 3.556 0.377 2.865 513 HG22 VAL 68 2HG2 VAL 68 2.370 -0.124 4.094 514 HG23 VAL 68 3HG2 VAL 68 3.533 1.173 4.457 515 H SER 69 H SER 69 3.781 -4.302 5.250 516 HA SER 69 HA SER 69 6.303 -4.507 6.641 517 HB2 SER 69 1HB SER 69 3.831 -6.095 7.465 518 HB3 SER 69 2HB SER 69 5.444 -6.331 8.106 519 HG SER 69 HG SER 69 3.578 -4.256 8.610 520 H ALA 70 H ALA 70 7.264 -6.764 6.366 521 HA ALA 70 HA ALA 70 7.169 -7.546 3.715 522 HB1 ALA 70 1HB ALA 70 8.668 -9.254 4.379 523 HB2 ALA 70 2HB ALA 70 8.942 -7.944 5.553 524 HB3 ALA 70 3HB ALA 70 7.964 -9.359 6.011 525 H ASP 71 H ASP 71 5.093 -8.345 6.449 526 HA ASP 71 HA ASP 71 4.108 -10.729 5.298 527 HB2 ASP 71 1HB ASP 71 4.044 -9.677 7.800 528 HB3 ASP 71 2HB ASP 71 2.471 -9.132 7.254 529 H GLY 72 H GLY 72 3.777 -7.414 4.578 530 HA2 GLY 72 1HA GLY 72 2.366 -7.135 2.520 531 HA3 GLY 72 2HA GLY 72 1.048 -7.761 3.491 532 H LEU 73 H LEU 73 -0.312 -6.047 3.867 533 HA LEU 73 HA LEU 73 0.925 -3.686 5.092 534 HB2 LEU 73 1HB LEU 73 -1.488 -3.344 3.389 535 HB3 LEU 73 2HB LEU 73 -0.204 -2.213 3.768 536 HG LEU 73 HG LEU 73 0.389 -4.601 2.042 537 HD11 LEU 73 1HD1 LEU 73 -0.087 -2.861 0.113 538 HD12 LEU 73 2HD1 LEU 73 -1.373 -3.908 0.759 539 HD13 LEU 73 3HD1 LEU 73 -1.250 -2.215 1.295 540 HD21 LEU 73 1HD2 LEU 73 1.897 -2.466 3.014 541 HD22 LEU 73 2HD2 LEU 73 2.351 -3.606 1.724 542 HD23 LEU 73 3HD2 LEU 73 1.580 -2.055 1.311 543 H ARG 74 H ARG 74 -1.018 -2.304 6.126 544 HA ARG 74 HA ARG 74 -3.116 -3.964 7.082 545 HB2 ARG 74 1HB ARG 74 -0.766 -3.207 8.834 546 HB3 ARG 74 2HB ARG 74 -2.360 -3.253 9.561 547 HG2 ARG 74 1HG ARG 74 -2.298 -5.629 8.088 548 HG3 ARG 74 2HG ARG 74 -0.643 -5.487 8.649 549 HD2 ARG 74 1HD ARG 74 -1.390 -5.290 10.986 550 HD3 ARG 74 2HD ARG 74 -3.069 -5.225 10.489 551 HE ARG 74 HE ARG 74 -3.057 -7.555 10.150 552 HH11 ARG 74 2HH2 ARG 74 0.237 -6.393 10.577 553 HH12 ARG 74 1HH2 ARG 74 0.915 -7.981 10.710 554 HH21 ARG 74 2HH1 ARG 74 -2.162 -9.650 10.327 555 HH22 ARG 74 1HH1 ARG 74 -0.458 -9.846 10.567 556 H VAL 75 H VAL 75 -4.761 -2.501 6.679 557 HA VAL 75 HA VAL 75 -4.275 0.315 7.003 558 HB VAL 75 HB VAL 75 -6.762 -1.235 6.254 559 HG11 VAL 75 1HG1 VAL 75 -6.103 1.721 6.063 560 HG12 VAL 75 2HG1 VAL 75 -7.497 0.946 5.273 561 HG13 VAL 75 3HG1 VAL 75 -7.373 0.959 7.049 562 HG21 VAL 75 1HG2 VAL 75 -6.093 -0.286 3.926 563 HG22 VAL 75 2HG2 VAL 75 -4.470 -0.128 4.639 564 HG23 VAL 75 3HG2 VAL 75 -5.251 -1.726 4.547 565 H VAL 76 H VAL 76 -3.914 0.706 9.209 566 HA VAL 76 HA VAL 76 -5.799 -0.331 11.124 567 HB VAL 76 HB VAL 76 -3.235 1.189 11.153 568 HG11 VAL 76 1HG1 VAL 76 -3.581 1.441 13.693 569 HG12 VAL 76 2HG1 VAL 76 -4.382 2.619 12.625 570 HG13 VAL 76 3HG1 VAL 76 -5.318 1.284 13.340 571 HG21 VAL 76 1HG2 VAL 76 -3.639 -1.391 11.352 572 HG22 VAL 76 2HG2 VAL 76 -2.442 -0.597 12.403 573 HG23 VAL 76 3HG2 VAL 76 -4.053 -1.007 13.040 574 H ASP 77 H ASP 77 -7.063 1.074 12.574 575 HA ASP 77 HA ASP 77 -8.029 3.351 11.062 576 HB2 ASP 77 1HB ASP 77 -9.649 1.581 11.804 577 HB3 ASP 77 2HB ASP 77 -9.216 1.896 13.473 578 H GLU 78 H GLU 78 -6.858 5.197 11.686 579 HA GLU 78 HA GLU 78 -5.397 5.596 13.853 580 HB2 GLU 78 1HB GLU 78 -7.096 7.506 12.235 581 HB3 GLU 78 2HB GLU 78 -6.179 8.112 13.600 582 HG2 GLU 78 1HG GLU 78 -4.354 6.456 12.209 583 HG3 GLU 78 2HG GLU 78 -5.232 7.293 10.944 584 H LYS 79 H LYS 79 -8.931 5.530 13.717 585 HA LYS 79 HA LYS 79 -9.693 6.944 15.886 586 HB2 LYS 79 1HB LYS 79 -11.045 5.506 14.211 587 HB3 LYS 79 2HB LYS 79 -10.803 4.191 15.343 588 HG2 LYS 79 1HG LYS 79 -11.711 6.764 16.564 589 HG3 LYS 79 2HG LYS 79 -12.871 5.996 15.499 590 HD2 LYS 79 1HD LYS 79 -12.862 3.952 16.797 591 HD3 LYS 79 2HD LYS 79 -11.447 4.450 17.704 592 HE2 LYS 79 1HE LYS 79 -12.657 5.831 19.111 593 HE3 LYS 79 2HE LYS 79 -13.762 6.334 17.848 594 HZ1 LYS 79 1HZ LYS 79 -14.554 3.907 18.020 595 HZ2 LYS 79 2HZ LYS 79 -13.862 3.943 19.499 596 HZ3 LYS 79 3HZ LYS 79 -15.057 4.995 19.130 597 H THR 80 H THR 80 -9.231 3.360 16.180 598 HA THR 80 HA THR 80 -7.951 3.893 18.780 599 HB THR 80 HB THR 80 -10.392 3.011 18.787 600 HG1 THR 80 1HG THR 80 -8.171 1.379 19.803 601 HG21 THR 80 1HG2 THR 80 -10.354 0.419 18.615 602 HG22 THR 80 2HG2 THR 80 -10.398 1.308 17.073 603 HG23 THR 80 3HG2 THR 80 -8.866 0.617 17.659 604 H LYS 81 H LYS 81 -6.949 3.413 15.893 605 HA LYS 81 HA LYS 81 -5.182 2.424 15.010 606 HB2 LYS 81 1HB LYS 81 -4.745 1.787 17.904 607 HB3 LYS 81 2HB LYS 81 -3.760 0.962 16.713 608 HG2 LYS 81 1HG LYS 81 -4.109 3.994 16.792 609 HG3 LYS 81 2HG LYS 81 -2.789 3.156 17.584 610 HD2 LYS 81 1HD LYS 81 -2.418 2.058 15.190 611 HD3 LYS 81 2HD LYS 81 -3.348 3.429 14.619 612 HE2 LYS 81 1HE LYS 81 -1.067 4.146 14.516 613 HE3 LYS 81 2HE LYS 81 -1.722 4.932 15.939 614 HZ1 LYS 81 1HZ LYS 81 -0.793 3.139 17.264 615 HZ2 LYS 81 2HZ LYS 81 -0.150 2.449 15.931 616 HZ3 LYS 81 3HZ LYS 81 0.371 3.917 16.423 617 H ASP 82 H ASP 82 -7.966 1.016 15.866 618 HA ASP 82 HA ASP 82 -7.605 -1.655 15.943 619 HB2 ASP 82 1HB ASP 82 -9.777 -0.214 15.965 620 HB3 ASP 82 2HB ASP 82 -9.742 -0.341 14.218 621 H LEU 83 H LEU 83 -8.528 -3.093 13.851 622 HA LEU 83 HA LEU 83 -6.725 -2.377 11.650 623 HB2 LEU 83 1HB LEU 83 -6.389 -4.501 13.038 624 HB3 LEU 83 2HB LEU 83 -7.829 -5.113 12.249 625 HG LEU 83 HG LEU 83 -5.466 -5.692 11.313 626 HD11 LEU 83 1HD1 LEU 83 -6.421 -5.684 8.961 627 HD12 LEU 83 2HD1 LEU 83 -7.391 -6.500 10.211 628 HD13 LEU 83 3HD1 LEU 83 -7.851 -4.876 9.647 629 HD21 LEU 83 1HD2 LEU 83 -4.567 -4.183 9.671 630 HD22 LEU 83 2HD2 LEU 83 -5.898 -3.031 9.932 631 HD23 LEU 83 3HD2 LEU 83 -4.709 -3.324 11.224 632 H ILE 84 H ILE 84 -7.631 -1.695 9.789 633 HA ILE 84 HA ILE 84 -10.504 -2.028 9.511 634 HB ILE 84 HB ILE 84 -8.580 -0.426 7.825 635 HG12 ILE 84 1HG1 ILE 84 -10.274 0.584 10.124 636 HG13 ILE 84 2HG1 ILE 84 -8.573 0.190 10.275 637 HG21 ILE 84 1HG2 ILE 84 -10.348 0.374 6.682 638 HG22 ILE 84 2HG2 ILE 84 -11.113 -1.148 7.200 639 HG23 ILE 84 3HG2 ILE 84 -11.419 0.355 8.103 640 HD11 ILE 84 1HD1 ILE 84 -7.887 1.965 8.902 641 HD12 ILE 84 2HD1 ILE 84 -9.447 2.039 8.048 642 HD13 ILE 84 3HD1 ILE 84 -9.311 2.669 9.707 643 H VAL 85 H VAL 85 -7.426 -2.707 7.729 644 HA VAL 85 HA VAL 85 -8.789 -4.963 6.492 645 HB VAL 85 HB VAL 85 -7.389 -2.742 4.995 646 HG11 VAL 85 1HG1 VAL 85 -7.761 -4.091 2.960 647 HG12 VAL 85 2HG1 VAL 85 -6.655 -4.892 4.102 648 HG13 VAL 85 3HG1 VAL 85 -8.345 -5.436 3.969 649 HG21 VAL 85 1HG2 VAL 85 -9.571 -2.022 5.194 650 HG22 VAL 85 2HG2 VAL 85 -9.672 -2.975 3.694 651 HG23 VAL 85 3HG2 VAL 85 -10.231 -3.675 5.232 652 H ASP 86 H ASP 86 -7.278 -6.604 5.710 653 HA ASP 86 HA ASP 86 -4.593 -6.183 6.758 654 HB2 ASP 86 1HB ASP 86 -5.458 -7.652 8.375 655 HB3 ASP 86 2HB ASP 86 -6.543 -8.431 7.240 656 H GLN 87 H GLN 87 -3.728 -5.859 4.615 657 HA GLN 87 HA GLN 87 -4.329 -7.921 2.674 658 HB2 GLN 87 1HB GLN 87 -4.455 -5.440 2.101 659 HB3 GLN 87 2HB GLN 87 -2.714 -5.366 2.287 660 HG2 GLN 87 1HG GLN 87 -3.443 -5.702 -0.101 661 HG3 GLN 87 2HG GLN 87 -2.368 -6.960 0.476 662 HE21 GLN 87 1HE2 GLN 87 -2.919 -8.890 -0.149 663 HE22 GLN 87 2HE2 GLN 87 -4.519 -9.520 -0.356 664 H THR 88 H THR 88 -2.698 -9.235 1.701 665 HA THR 88 HA THR 88 -0.183 -9.275 3.231 666 HB THR 88 HB THR 88 -1.373 -11.327 3.590 667 HG1 THR 88 1HG THR 88 0.521 -12.248 2.908 668 HG21 THR 88 1HG2 THR 88 -2.203 -10.930 0.725 669 HG22 THR 88 2HG2 THR 88 -1.913 -12.607 1.246 670 HG23 THR 88 3HG2 THR 88 -3.129 -11.613 2.083 671 H ILE 89 H ILE 89 1.796 -9.297 2.206 672 HA ILE 89 HA ILE 89 1.949 -7.964 -0.219 673 HB ILE 89 HB ILE 89 3.651 -8.439 1.749 674 HG12 ILE 89 1HG1 ILE 89 5.449 -7.596 0.286 675 HG13 ILE 89 2HG1 ILE 89 4.484 -7.966 -1.129 676 HG21 ILE 89 1HG2 ILE 89 5.149 -10.136 1.494 677 HG22 ILE 89 2HG2 ILE 89 3.712 -10.916 0.792 678 HG23 ILE 89 3HG2 ILE 89 4.949 -10.207 -0.273 679 HD11 ILE 89 1HD1 ILE 89 4.406 -5.599 0.476 680 HD12 ILE 89 2HD1 ILE 89 3.395 -5.994 -0.935 681 HD13 ILE 89 3HD1 ILE 89 2.851 -6.434 0.702 682 H GLU 90 H GLU 90 1.552 -11.393 0.555 683 HA GLU 90 HA GLU 90 2.508 -12.511 -1.741 684 HB2 GLU 90 1HB GLU 90 0.061 -13.361 -0.130 685 HB3 GLU 90 2HB GLU 90 0.935 -14.384 -1.252 686 HG2 GLU 90 1HG GLU 90 2.085 -13.123 1.282 687 HG3 GLU 90 2HG GLU 90 1.662 -14.811 1.079 688 H LYS 91 H LYS 91 -1.014 -11.848 -1.085 689 HA LYS 91 HA LYS 91 -1.945 -12.264 -3.598 690 HB2 LYS 91 1HB LYS 91 -2.879 -10.203 -1.578 691 HB3 LYS 91 2HB LYS 91 -3.803 -10.738 -2.967 692 HG2 LYS 91 1HG LYS 91 -2.974 -12.350 -0.530 693 HG3 LYS 91 2HG LYS 91 -4.590 -12.078 -1.150 694 HD2 LYS 91 1HD LYS 91 -3.617 -13.312 -3.322 695 HD3 LYS 91 2HD LYS 91 -2.453 -13.952 -2.178 696 HE2 LYS 91 1HE LYS 91 -5.208 -14.089 -1.132 697 HE3 LYS 91 2HE LYS 91 -5.043 -14.948 -2.650 698 HZ1 LYS 91 1HZ LYS 91 -2.914 -15.385 -0.778 699 HZ2 LYS 91 2HZ LYS 91 -4.368 -15.958 -0.304 700 HZ3 LYS 91 3HZ LYS 91 -3.714 -16.456 -1.715 701 H VAL 92 H VAL 92 -0.912 -9.044 -2.258 702 HA VAL 92 HA VAL 92 -1.221 -7.495 -4.417 703 HB VAL 92 HB VAL 92 1.114 -7.594 -2.500 704 HG11 VAL 92 1HG1 VAL 92 1.022 -6.133 -4.848 705 HG12 VAL 92 2HG1 VAL 92 0.422 -4.979 -3.633 706 HG13 VAL 92 3HG1 VAL 92 2.011 -5.754 -3.418 707 HG21 VAL 92 1HG2 VAL 92 -0.143 -5.781 -1.342 708 HG22 VAL 92 2HG2 VAL 92 -1.493 -6.038 -2.473 709 HG23 VAL 92 3HG2 VAL 92 -1.006 -7.337 -1.358 710 H SER 93 H SER 93 -0.669 -7.618 -6.525 711 HA SER 93 HA SER 93 1.617 -9.303 -7.150 712 HB2 SER 93 1HB SER 93 -0.364 -10.090 -8.252 713 HB3 SER 93 2HB SER 93 -0.839 -8.473 -8.733 714 HG SER 93 HG SER 93 0.398 -10.126 -10.277 715 H PHE 94 H PHE 94 0.006 -6.155 -7.943 716 HA PHE 94 HA PHE 94 2.653 -5.090 -8.554 717 HB2 PHE 94 1HB PHE 94 1.421 -5.784 -10.677 718 HB3 PHE 94 2HB PHE 94 0.066 -4.781 -10.196 719 HD1 PHE 94 1HD PHE 94 3.769 -4.324 -10.502 720 HD2 PHE 94 2HD PHE 94 -0.102 -2.817 -11.369 721 HE1 PHE 94 1HE PHE 94 4.797 -2.366 -11.690 722 HE2 PHE 94 2HE PHE 94 0.926 -0.859 -12.557 723 HZ PHE 94 HZ PHE 94 3.363 -0.657 -12.703 724 H CYS 95 H CYS 95 2.687 -2.666 -8.522 725 HA CYS 95 HA CYS 95 0.396 -1.391 -7.361 726 HB2 CYS 95 1HB CYS 95 1.571 -0.591 -5.342 727 HB3 CYS 95 2HB CYS 95 1.333 -2.327 -5.332 728 HG CYS 95 HG CYS 95 3.605 -3.040 -5.292 729 H ALA 96 H ALA 96 0.345 0.660 -8.245 730 HA ALA 96 HA ALA 96 2.892 1.683 -9.301 731 HB1 ALA 96 1HB ALA 96 0.959 0.978 -10.892 732 HB2 ALA 96 2HB ALA 96 0.142 2.448 -10.308 733 HB3 ALA 96 3HB ALA 96 1.712 2.572 -11.137 734 HA PRO 97 HA PRO 97 2.310 5.113 -6.733 735 HB2 PRO 97 1HB PRO 97 3.721 7.046 -8.054 736 HB3 PRO 97 2HB PRO 97 4.477 5.821 -7.054 737 HG2 PRO 97 1HG PRO 97 4.380 6.006 -10.003 738 HG3 PRO 97 2HG PRO 97 5.460 5.061 -8.998 739 HD2 PRO 97 1HD PRO 97 3.199 4.091 -10.471 740 HD3 PRO 97 2HD PRO 97 4.209 3.170 -9.375 741 H ASP 98 H ASP 98 2.486 7.118 -9.557 742 HA ASP 98 HA ASP 98 -0.238 7.277 -9.994 743 HB2 ASP 98 1HB ASP 98 -0.740 9.493 -9.003 744 HB3 ASP 98 2HB ASP 98 -0.341 8.322 -7.761 745 H ARG 99 H ARG 99 -0.539 9.895 -10.933 746 HA ARG 99 HA ARG 99 1.614 11.175 -11.934 747 HB2 ARG 99 1HB ARG 99 1.509 10.392 -14.399 748 HB3 ARG 99 2HB ARG 99 2.324 9.321 -13.276 749 HG2 ARG 99 1HG ARG 99 -0.128 8.267 -13.009 750 HG3 ARG 99 2HG ARG 99 -0.382 9.001 -14.581 751 HD2 ARG 99 1HD ARG 99 2.183 7.500 -14.326 752 HD3 ARG 99 2HD ARG 99 0.746 6.507 -14.180 753 HE ARG 99 HE ARG 99 0.222 8.107 -16.397 754 HH11 ARG 99 2HH2 ARG 99 2.811 5.902 -15.492 755 HH12 ARG 99 1HH2 ARG 99 3.177 5.459 -17.126 756 HH21 ARG 99 2HH1 ARG 99 0.705 7.523 -18.552 757 HH22 ARG 99 1HH1 ARG 99 1.971 6.387 -18.878 758 H ASN 100 H ASN 100 -0.957 11.776 -10.913 759 HA ASN 100 HA ASN 100 -1.894 13.454 -12.993 760 HB2 ASN 100 1HB ASN 100 -3.731 11.256 -11.901 761 HB3 ASN 100 2HB ASN 100 -4.287 12.608 -12.867 762 HD21 ASN 100 1HD2 ASN 100 -3.435 9.462 -12.958 763 HD22 ASN 100 2HD2 ASN 100 -2.960 9.275 -14.613 764 H PHE 101 H PHE 101 -2.495 11.843 -9.803 765 HA PHE 101 HA PHE 101 -3.787 14.230 -8.791 766 HB2 PHE 101 1HB PHE 101 -2.974 11.696 -7.279 767 HB3 PHE 101 2HB PHE 101 -4.334 12.747 -6.936 768 HD1 PHE 101 2HD PHE 101 -3.082 10.107 -9.169 769 HD2 PHE 101 1HD PHE 101 -6.429 12.476 -8.074 770 HE1 PHE 101 2HE PHE 101 -4.585 8.595 -10.492 771 HE2 PHE 101 1HE PHE 101 -7.932 10.963 -9.397 772 HZ PHE 101 HZ PHE 101 -6.992 9.040 -10.591 773 H ASP 102 H ASP 102 -3.017 14.249 -6.122 774 HA ASP 102 HA ASP 102 -0.359 15.308 -6.419 775 HB2 ASP 102 1HB ASP 102 -2.624 16.103 -4.998 776 HB3 ASP 102 2HB ASP 102 -1.639 15.384 -3.740 777 H ARG 103 H ARG 103 -2.208 12.675 -4.874 778 HA ARG 103 HA ARG 103 0.124 11.212 -4.415 779 HB2 ARG 103 1HB ARG 103 0.017 11.063 -1.931 780 HB3 ARG 103 2HB ARG 103 0.341 12.707 -2.445 781 HG2 ARG 103 1HG ARG 103 -2.412 12.740 -2.394 782 HG3 ARG 103 2HG ARG 103 -2.088 11.575 -1.125 783 HD2 ARG 103 1HD ARG 103 -1.148 13.152 0.277 784 HD3 ARG 103 2HD ARG 103 -0.368 14.013 -1.035 785 HE ARG 103 HE ARG 103 -3.225 14.342 -1.225 786 HH11 ARG 103 2HH2 ARG 103 -0.455 15.403 0.667 787 HH12 ARG 103 1HH2 ARG 103 -1.179 16.909 1.120 788 HH21 ARG 103 2HH1 ARG 103 -4.182 16.329 -0.627 789 HH22 ARG 103 1HH1 ARG 103 -3.314 17.440 0.379 790 H ALA 104 H ALA 104 -1.322 9.856 -5.770 791 HA ALA 104 HA ALA 104 -3.364 8.522 -4.130 792 HB1 ALA 104 1HB ALA 104 -4.845 9.353 -5.624 793 HB2 ALA 104 2HB ALA 104 -3.560 9.846 -6.753 794 HB3 ALA 104 3HB ALA 104 -4.159 8.170 -6.764 795 H PHE 105 H PHE 105 -2.264 6.689 -3.515 796 HA PHE 105 HA PHE 105 -0.896 5.239 -5.668 797 HB2 PHE 105 1HB PHE 105 0.659 5.746 -3.898 798 HB3 PHE 105 2HB PHE 105 -0.567 5.579 -2.657 799 HD1 PHE 105 2HD PHE 105 1.582 3.679 -4.988 800 HD2 PHE 105 1HD PHE 105 -0.939 3.503 -1.578 801 HE1 PHE 105 2HE PHE 105 2.361 1.336 -4.533 802 HE2 PHE 105 1HE PHE 105 -0.160 1.160 -1.124 803 HZ PHE 105 HZ PHE 105 1.481 0.105 -2.606 804 H SER 106 H SER 106 -1.601 3.209 -6.228 805 HA SER 106 HA SER 106 -3.381 1.889 -4.364 806 HB2 SER 106 1HB SER 106 -4.062 2.010 -7.321 807 HB3 SER 106 2HB SER 106 -5.082 1.476 -6.000 808 HG SER 106 HG SER 106 -4.107 4.190 -6.229 809 H TYR 107 H TYR 107 -3.427 -0.457 -4.636 810 HA TYR 107 HA TYR 107 -1.428 -1.471 -6.534 811 HB2 TYR 107 1HB TYR 107 -0.573 -2.868 -4.685 812 HB3 TYR 107 2HB TYR 107 -0.633 -1.220 -4.090 813 HD1 TYR 107 1HD TYR 107 -2.754 -4.313 -4.219 814 HD2 TYR 107 2HD TYR 107 -1.653 -0.800 -2.039 815 HE1 TYR 107 1HE TYR 107 -4.198 -5.064 -2.266 816 HE2 TYR 107 2HE TYR 107 -3.101 -1.563 -0.093 817 HH TYR 107 HH TYR 107 -5.345 -3.252 -0.075 818 H ILE 108 H ILE 108 -1.868 -3.524 -7.423 819 HA ILE 108 HA ILE 108 -4.645 -4.301 -7.173 820 HB ILE 108 HB ILE 108 -2.440 -5.248 -9.008 821 HG12 ILE 108 1HG1 ILE 108 -4.677 -3.244 -9.405 822 HG13 ILE 108 2HG1 ILE 108 -2.955 -2.920 -9.408 823 HG21 ILE 108 1HG2 ILE 108 -4.433 -6.823 -8.459 824 HG22 ILE 108 2HG2 ILE 108 -5.375 -5.699 -9.468 825 HG23 ILE 108 3HG2 ILE 108 -3.971 -6.550 -10.156 826 HD11 ILE 108 1HD1 ILE 108 -4.480 -4.634 -11.420 827 HD12 ILE 108 2HD1 ILE 108 -3.724 -3.051 -11.719 828 HD13 ILE 108 3HD1 ILE 108 -2.708 -4.474 -11.387 829 H CYS 109 H CYS 109 -5.368 -6.377 -6.517 830 HA CYS 109 HA CYS 109 -3.428 -8.268 -5.592 831 HB2 CYS 109 1HB CYS 109 -3.942 -8.270 -3.281 832 HB3 CYS 109 2HB CYS 109 -3.610 -6.600 -3.693 833 HG CYS 109 HG CYS 109 -5.640 -6.832 -1.978 834 H ARG 110 H ARG 110 -4.743 -10.224 -4.579 835 HA ARG 110 HA ARG 110 -7.171 -10.422 -6.164 836 HB2 ARG 110 1HB ARG 110 -5.202 -12.047 -6.554 837 HB3 ARG 110 2HB ARG 110 -5.545 -12.719 -4.972 838 HG2 ARG 110 1HG ARG 110 -7.950 -12.470 -6.696 839 HG3 ARG 110 2HG ARG 110 -6.726 -13.536 -7.357 840 HD2 ARG 110 1HD ARG 110 -7.124 -13.973 -4.464 841 HD3 ARG 110 2HD ARG 110 -8.605 -14.201 -5.372 842 HE ARG 110 HE ARG 110 -6.354 -15.976 -5.365 843 HH11 ARG 110 2HH2 ARG 110 -8.704 -14.593 -7.589 844 HH12 ARG 110 1HH2 ARG 110 -8.631 -15.925 -8.695 845 HH21 ARG 110 2HH1 ARG 110 -6.258 -17.733 -6.823 846 HH22 ARG 110 1HH1 ARG 110 -7.230 -17.722 -8.256 847 H ASP 111 H ASP 111 -8.859 -9.810 -4.793 848 HA ASP 111 HA ASP 111 -8.880 -9.987 -2.098 849 HB2 ASP 111 1HB ASP 111 -10.579 -8.934 -3.790 850 HB3 ASP 111 2HB ASP 111 -11.368 -10.499 -3.772 851 H GLY 112 H GLY 112 -10.055 -11.529 -0.617 852 HA2 GLY 112 1HA GLY 112 -9.983 -14.288 -1.672 853 HA3 GLY 112 2HA GLY 112 -9.661 -13.817 -0.015 854 H THR 113 H THR 113 -12.068 -11.729 -0.705 855 HA THR 113 HA THR 113 -14.104 -13.582 0.294 856 HB THR 113 HB THR 113 -15.227 -11.218 0.699 857 HG1 THR 113 1HG THR 113 -13.866 -9.627 -0.008 858 HG21 THR 113 1HG2 THR 113 -14.501 -12.117 2.740 859 HG22 THR 113 2HG2 THR 113 -12.859 -12.431 2.129 860 HG23 THR 113 3HG2 THR 113 -13.340 -10.777 2.578 861 H THR 114 H THR 114 -13.651 -10.993 -2.200 862 HA THR 114 HA THR 114 -16.143 -11.618 -3.440 863 HB THR 114 HB THR 114 -13.698 -9.970 -4.269 864 HG1 THR 114 1HG THR 114 -16.403 -9.392 -3.285 865 HG21 THR 114 1HG2 THR 114 -16.547 -9.741 -5.337 866 HG22 THR 114 2HG2 THR 114 -15.076 -8.954 -5.959 867 HG23 THR 114 3HG2 THR 114 -15.312 -10.703 -6.184 868 H ARG 115 H ARG 115 -12.913 -12.954 -3.573 869 HA ARG 115 HA ARG 115 -12.133 -14.677 -4.625 870 HB2 ARG 115 1HB ARG 115 -14.906 -15.062 -5.863 871 HB3 ARG 115 2HB ARG 115 -13.628 -16.261 -5.836 872 HG2 ARG 115 1HG ARG 115 -14.044 -16.841 -3.659 873 HG3 ARG 115 2HG ARG 115 -14.234 -15.175 -3.150 874 HD2 ARG 115 1HD ARG 115 -16.473 -15.555 -3.030 875 HD3 ARG 115 2HD ARG 115 -16.490 -15.636 -4.780 876 HE ARG 115 HE ARG 115 -16.566 -17.914 -2.916 877 HH11 ARG 115 2HH2 ARG 115 -16.002 -16.870 -6.229 878 HH12 ARG 115 1HH2 ARG 115 -16.296 -18.436 -6.908 879 HH21 ARG 115 2HH1 ARG 115 -16.953 -19.980 -3.811 880 HH22 ARG 115 1HH1 ARG 115 -16.841 -20.217 -5.523 881 H ARG 116 H ARG 116 -11.881 -12.057 -5.748 882 HA ARG 116 HA ARG 116 -11.384 -12.820 -8.459 883 HB2 ARG 116 1HB ARG 116 -12.567 -10.919 -9.465 884 HB3 ARG 116 2HB ARG 116 -13.708 -11.847 -8.512 885 HG2 ARG 116 1HG ARG 116 -13.378 -10.243 -6.598 886 HG3 ARG 116 2HG ARG 116 -12.291 -9.299 -7.597 887 HD2 ARG 116 1HD ARG 116 -15.282 -9.703 -7.929 888 HD3 ARG 116 2HD ARG 116 -14.392 -8.197 -7.827 889 HE ARG 116 HE ARG 116 -13.334 -9.258 -10.102 890 HH11 ARG 116 2HH2 ARG 116 -16.673 -8.945 -9.037 891 HH12 ARG 116 1HH2 ARG 116 -17.309 -8.827 -10.644 892 HH21 ARG 116 2HH1 ARG 116 -14.172 -9.103 -12.222 893 HH22 ARG 116 1HH1 ARG 116 -15.876 -8.918 -12.468 894 H TRP 117 H TRP 117 -10.648 -10.309 -9.510 895 HA TRP 117 HA TRP 117 -8.357 -9.708 -7.826 896 HB2 TRP 117 1HB TRP 117 -8.939 -8.667 -10.595 897 HB3 TRP 117 2HB TRP 117 -7.404 -8.698 -9.750 898 HD1 TRP 117 HD TRP 117 -9.778 -11.036 -11.681 899 HE1 TRP 117 1HE TRP 117 -8.568 -13.281 -12.362 900 HE3 TRP 117 3HE TRP 117 -5.542 -10.182 -9.001 901 HZ2 TRP 117 2HZ TRP 117 -6.033 -14.421 -11.718 902 HZ3 TRP 117 3HZ TRP 117 -3.748 -11.911 -9.081 903 HH2 TRP 117 HH TRP 117 -3.943 -13.972 -10.380 904 H ILE 118 H ILE 118 -8.175 -7.816 -6.658 905 HA ILE 118 HA ILE 118 -10.079 -5.684 -7.283 906 HB ILE 118 HB ILE 118 -9.605 -6.948 -4.586 907 HG12 ILE 118 1HG1 ILE 118 -11.321 -7.877 -6.286 908 HG13 ILE 118 2HG1 ILE 118 -11.822 -7.614 -4.627 909 HG21 ILE 118 1HG2 ILE 118 -9.515 -4.578 -4.235 910 HG22 ILE 118 2HG2 ILE 118 -10.944 -4.317 -5.264 911 HG23 ILE 118 3HG2 ILE 118 -11.111 -5.163 -3.707 912 HD11 ILE 118 1HD1 ILE 118 -13.517 -6.732 -6.190 913 HD12 ILE 118 2HD1 ILE 118 -12.787 -5.401 -5.261 914 HD13 ILE 118 3HD1 ILE 118 -12.293 -5.685 -6.947 915 H CYS 119 H CYS 119 -9.317 -3.561 -6.805 916 HA CYS 119 HA CYS 119 -6.441 -3.517 -6.240 917 HB2 CYS 119 1HB CYS 119 -7.049 -2.893 -8.586 918 HB3 CYS 119 2HB CYS 119 -7.992 -1.555 -7.961 919 HG CYS 119 HG CYS 119 -6.181 -0.155 -7.003 920 H HIS 120 H HIS 120 -5.767 -2.123 -4.579 921 HA HIS 120 HA HIS 120 -7.939 -0.681 -3.247 922 HB2 HIS 120 1HB HIS 120 -5.374 -1.828 -2.111 923 HB3 HIS 120 2HB HIS 120 -6.533 -0.878 -1.203 924 HD1 HIS 120 1HD HIS 120 -8.389 -2.147 -0.080 925 HD2 HIS 120 2HD HIS 120 -6.564 -4.360 -3.140 926 HE1 HIS 120 1HE HIS 120 -9.409 -4.484 0.022 927 H CYS 121 H CYS 121 -7.876 1.509 -3.317 928 HA CYS 121 HA CYS 121 -5.356 2.700 -4.182 929 HB2 CYS 121 1HB CYS 121 -8.001 4.148 -4.134 930 HB3 CYS 121 2HB CYS 121 -6.578 4.482 -5.102 931 HG CYS 121 HG CYS 121 -6.813 2.786 -6.842 932 H PHE 122 H PHE 122 -4.642 4.699 -3.055 933 HA PHE 122 HA PHE 122 -5.917 5.229 -0.510 934 HB2 PHE 122 1HB PHE 122 -2.986 4.375 -0.912 935 HB3 PHE 122 2HB PHE 122 -3.635 4.953 0.610 936 HD1 PHE 122 1HD PHE 122 -3.666 2.172 -1.793 937 HD2 PHE 122 2HD PHE 122 -4.967 3.528 2.012 938 HE1 PHE 122 1HE PHE 122 -4.313 -0.174 -1.178 939 HE2 PHE 122 2HE PHE 122 -5.614 1.182 2.627 940 HZ PHE 122 HZ PHE 122 -5.279 -0.641 1.024 941 H MET 123 H MET 123 -5.926 7.402 -0.135 942 HA MET 123 HA MET 123 -4.232 8.987 -1.868 943 HB2 MET 123 1HB MET 123 -6.885 9.255 -0.563 944 HB3 MET 123 2HB MET 123 -5.915 10.703 -0.381 945 HG2 MET 123 1HG MET 123 -5.965 9.466 -3.120 946 HG3 MET 123 2HG MET 123 -7.451 10.221 -2.578 947 HE1 MET 123 1HE MET 123 -4.826 12.486 -4.905 948 HE2 MET 123 2HE MET 123 -4.199 10.896 -4.408 949 HE3 MET 123 3HE MET 123 -5.858 11.042 -5.034 950 H ALA 124 H ALA 124 -2.196 9.139 -0.918 951 HA ALA 124 HA ALA 124 -1.515 9.076 1.679 952 HB1 ALA 124 1HB ALA 124 -0.153 11.173 0.054 953 HB2 ALA 124 2HB ALA 124 0.529 9.785 0.937 954 HB3 ALA 124 3HB ALA 124 -0.223 9.543 -0.658 955 H VAL 125 H VAL 125 -0.914 10.804 3.258 956 HA VAL 125 HA VAL 125 -3.003 12.842 3.252 957 HB VAL 125 HB VAL 125 -1.253 11.609 5.374 958 HG11 VAL 125 1HG1 VAL 125 -1.261 13.780 6.173 959 HG12 VAL 125 2HG1 VAL 125 -2.845 14.157 5.453 960 HG13 VAL 125 3HG1 VAL 125 -2.749 13.134 6.907 961 HG21 VAL 125 1HG2 VAL 125 -3.002 10.273 5.719 962 HG22 VAL 125 2HG2 VAL 125 -4.050 11.684 5.999 963 HG23 VAL 125 3HG2 VAL 125 -3.848 11.038 4.352 964 H LYS 126 H LYS 126 0.464 12.634 4.337 965 HA LYS 126 HA LYS 126 0.811 15.295 3.139 966 HB2 LYS 126 1HB LYS 126 2.300 15.877 4.939 967 HB3 LYS 126 2HB LYS 126 0.767 15.360 5.612 968 HG2 LYS 126 1HG LYS 126 1.693 13.115 6.095 969 HG3 LYS 126 2HG LYS 126 3.206 13.543 5.322 970 HD2 LYS 126 1HD LYS 126 2.731 15.602 7.227 971 HD3 LYS 126 2HD LYS 126 2.305 14.112 8.045 972 HE2 LYS 126 1HE LYS 126 4.497 13.594 8.307 973 HE3 LYS 126 2HE LYS 126 4.736 13.626 6.571 974 HZ1 LYS 126 1HZ LYS 126 4.632 16.118 8.090 975 HZ2 LYS 126 2HZ LYS 126 6.018 15.260 7.998 976 HZ3 LYS 126 3HZ LYS 126 5.323 15.837 6.637 977 H ASP 127 H ASP 127 1.471 12.027 2.857 978 HA ASP 127 HA ASP 127 4.197 12.458 2.001 979 HB2 ASP 127 1HB ASP 127 2.475 9.954 2.283 980 HB3 ASP 127 2HB ASP 127 4.103 9.919 1.637 981 H THR 128 H THR 128 4.677 10.993 -0.154 982 HA THR 128 HA THR 128 2.594 11.730 -2.103 983 HB THR 128 HB THR 128 4.770 12.970 -2.282 984 HG1 THR 128 1HG THR 128 4.928 12.389 -4.547 985 HG21 THR 128 1HG2 THR 128 6.105 10.467 -3.282 986 HG22 THR 128 2HG2 THR 128 6.830 11.910 -2.534 987 HG23 THR 128 3HG2 THR 128 6.042 10.681 -1.516 988 H GLY 129 H GLY 129 1.838 10.246 -3.575 989 HA2 GLY 129 1HA GLY 129 1.572 7.642 -2.911 990 HA3 GLY 129 2HA GLY 129 1.537 8.234 -4.560 991 H GLU 130 H GLU 130 4.403 9.199 -4.436 992 HA GLU 130 HA GLU 130 5.567 6.904 -5.444 993 HB2 GLU 130 1HB GLU 130 6.192 9.649 -5.277 994 HB3 GLU 130 2HB GLU 130 7.521 8.856 -4.454 995 HG2 GLU 130 1HG GLU 130 8.239 8.838 -6.699 996 HG3 GLU 130 2HG GLU 130 7.562 7.232 -6.511 997 H ARG 131 H ARG 131 5.986 8.578 -2.252 998 HA ARG 131 HA ARG 131 7.900 6.877 -1.280 999 HB2 ARG 131 1HB ARG 131 5.732 8.521 0.101 1000 HB3 ARG 131 2HB ARG 131 6.925 7.625 1.020 1001 HG2 ARG 131 1HG ARG 131 8.755 8.900 0.086 1002 HG3 ARG 131 2HG ARG 131 7.735 9.590 -1.162 1003 HD2 ARG 131 1HD ARG 131 6.339 10.510 0.935 1004 HD3 ARG 131 2HD ARG 131 7.854 10.271 1.782 1005 HE ARG 131 HE ARG 131 8.549 11.627 -0.573 1006 HH11 ARG 131 2HH2 ARG 131 6.447 12.240 2.182 1007 HH12 ARG 131 1HH2 ARG 131 6.618 13.962 2.091 1008 HH21 ARG 131 2HH1 ARG 131 8.774 13.898 -0.693 1009 HH22 ARG 131 1HH1 ARG 131 7.950 14.911 0.445 1010 H LEU 132 H LEU 132 4.356 6.569 -1.516 1011 HA LEU 132 HA LEU 132 4.112 4.431 0.318 1012 HB2 LEU 132 1HB LEU 132 2.365 5.536 -1.872 1013 HB3 LEU 132 2HB LEU 132 1.904 4.130 -0.934 1014 HG LEU 132 HG LEU 132 2.303 5.661 1.138 1015 HD11 LEU 132 1HD1 LEU 132 2.458 7.589 -1.122 1016 HD12 LEU 132 2HD1 LEU 132 1.519 8.079 0.308 1017 HD13 LEU 132 3HD1 LEU 132 3.231 7.624 0.481 1018 HD21 LEU 132 1HD2 LEU 132 -0.083 6.224 -0.640 1019 HD22 LEU 132 2HD2 LEU 132 0.127 4.741 0.323 1020 HD23 LEU 132 3HD2 LEU 132 0.002 6.320 1.136 1021 H SER 133 H SER 133 4.654 4.692 -3.230 1022 HA SER 133 HA SER 133 4.336 1.988 -3.748 1023 HB2 SER 133 1HB SER 133 4.666 2.706 -5.865 1024 HB3 SER 133 2HB SER 133 4.916 4.313 -5.211 1025 HG SER 133 HG SER 133 6.729 3.752 -6.485 1026 H HIS 134 H HIS 134 6.896 3.820 -2.206 1027 HA HIS 134 HA HIS 134 8.943 1.906 -2.761 1028 HB2 HIS 134 1HB HIS 134 9.472 4.267 -2.469 1029 HB3 HIS 134 2HB HIS 134 8.811 4.251 -0.846 1030 HD1 HIS 134 1HD HIS 134 10.266 3.252 1.049 1031 HD2 HIS 134 2HD HIS 134 12.016 2.996 -2.754 1032 HE1 HIS 134 1HE HIS 134 12.701 2.589 1.426 1033 H ALA 135 H ALA 135 6.964 2.865 0.126 1034 HA ALA 135 HA ALA 135 8.011 0.999 1.876 1035 HB1 ALA 135 1HB ALA 135 5.202 1.371 2.363 1036 HB2 ALA 135 2HB ALA 135 6.584 2.118 3.200 1037 HB3 ALA 135 3HB ALA 135 5.881 2.904 1.766 1038 H VAL 136 H VAL 136 5.064 0.755 -0.240 1039 HA VAL 136 HA VAL 136 4.528 -1.905 0.438 1040 HB VAL 136 HB VAL 136 2.931 -0.318 -0.542 1041 HG11 VAL 136 1HG1 VAL 136 4.967 -0.014 -2.529 1042 HG12 VAL 136 2HG1 VAL 136 3.493 -0.618 -3.324 1043 HG13 VAL 136 3HG1 VAL 136 3.434 0.875 -2.356 1044 HG21 VAL 136 1HG2 VAL 136 1.942 -2.324 -0.837 1045 HG22 VAL 136 2HG2 VAL 136 2.322 -2.064 -2.557 1046 HG23 VAL 136 3HG2 VAL 136 3.402 -3.055 -1.546 1047 H GLY 137 H GLY 137 6.778 -0.379 -1.845 1048 HA2 GLY 137 1HA GLY 137 7.301 -2.847 -3.265 1049 HA3 GLY 137 2HA GLY 137 8.080 -1.293 -3.486 1050 H CYS 138 H CYS 138 8.154 -1.576 -0.211 1051 HA CYS 138 HA CYS 138 10.876 -2.499 -0.280 1052 HB2 CYS 138 1HB CYS 138 9.140 -1.137 1.764 1053 HB3 CYS 138 2HB CYS 138 10.604 -1.949 2.281 1054 HG CYS 138 HG CYS 138 11.422 0.399 2.054 1055 H ALA 139 H ALA 139 7.752 -3.317 1.398 1056 HA ALA 139 HA ALA 139 8.689 -5.587 2.701 1057 HB1 ALA 139 1HB ALA 139 6.650 -4.737 3.463 1058 HB2 ALA 139 2HB ALA 139 5.996 -4.550 1.818 1059 HB3 ALA 139 3HB ALA 139 6.132 -6.170 2.544 1060 H PHE 140 H PHE 140 7.298 -5.097 -0.589 1061 HA PHE 140 HA PHE 140 6.984 -7.736 -1.291 1062 HB2 PHE 140 1HB PHE 140 6.773 -5.196 -2.426 1063 HB3 PHE 140 2HB PHE 140 8.156 -5.824 -3.301 1064 HD1 PHE 140 1HD PHE 140 4.614 -6.558 -2.470 1065 HD2 PHE 140 2HD PHE 140 7.861 -7.301 -5.100 1066 HE1 PHE 140 1HE PHE 140 3.073 -7.785 -4.026 1067 HE2 PHE 140 2HE PHE 140 6.320 -8.528 -6.655 1068 HZ PHE 140 HZ PHE 140 3.945 -8.755 -6.100 1069 H ALA 141 H ALA 141 9.897 -5.605 -1.692 1070 HA ALA 141 HA ALA 141 11.472 -7.558 -2.925 1071 HB1 ALA 141 1HB ALA 141 12.047 -5.225 -3.074 1072 HB2 ALA 141 2HB ALA 141 12.123 -5.070 -1.302 1073 HB3 ALA 141 3HB ALA 141 13.349 -6.029 -2.165 1074 H ALA 142 H ALA 142 10.849 -6.714 0.513 1075 HA ALA 142 HA ALA 142 12.864 -8.379 1.563 1076 HB1 ALA 142 1HB ALA 142 11.582 -6.429 2.655 1077 HB2 ALA 142 2HB ALA 142 10.274 -7.602 2.936 1078 HB3 ALA 142 3HB ALA 142 11.877 -7.867 3.661 1079 H CYS 143 H CYS 143 9.297 -8.822 1.056 1080 HA CYS 143 HA CYS 143 9.202 -11.401 2.064 1081 HB2 CYS 143 1HB CYS 143 7.212 -10.000 1.677 1082 HB3 CYS 143 2HB CYS 143 7.443 -10.122 -0.056 1083 HG CYS 143 HG CYS 143 7.762 -13.004 1.067 1084 H LEU 144 H LEU 144 9.598 -10.135 -1.320 1085 HA LEU 144 HA LEU 144 9.801 -12.632 -2.541 1086 HB2 LEU 144 1HB LEU 144 10.558 -9.829 -3.246 1087 HB3 LEU 144 2HB LEU 144 11.148 -11.140 -4.247 1088 HG LEU 144 HG LEU 144 8.245 -10.496 -3.666 1089 HD11 LEU 144 1HD1 LEU 144 9.775 -10.306 -6.273 1090 HD12 LEU 144 2HD1 LEU 144 8.089 -9.825 -5.968 1091 HD13 LEU 144 3HD1 LEU 144 9.422 -8.931 -5.200 1092 HD21 LEU 144 1HD2 LEU 144 7.724 -12.574 -4.234 1093 HD22 LEU 144 2HD2 LEU 144 8.491 -12.321 -5.821 1094 HD23 LEU 144 3HD2 LEU 144 9.444 -12.971 -4.465 1095 H GLU 145 H GLU 145 12.069 -10.726 -0.621 1096 HA GLU 145 HA GLU 145 14.399 -11.909 -1.583 1097 HB2 GLU 145 1HB GLU 145 13.611 -10.084 0.542 1098 HB3 GLU 145 2HB GLU 145 14.786 -11.229 1.157 1099 HG2 GLU 145 1HG GLU 145 15.374 -10.068 -1.545 1100 HG3 GLU 145 2HG GLU 145 15.469 -8.955 -0.194 1101 H ARG 146 H ARG 146 11.830 -13.063 0.489 1102 HA ARG 146 HA ARG 146 13.542 -15.116 1.573 1103 HB2 ARG 146 1HB ARG 146 11.944 -15.381 3.243 1104 HB3 ARG 146 2HB ARG 146 11.569 -13.733 2.783 1105 HG2 ARG 146 1HG ARG 146 9.974 -14.930 0.996 1106 HG3 ARG 146 2HG ARG 146 10.078 -16.275 2.114 1107 HD2 ARG 146 1HD ARG 146 9.351 -13.462 3.041 1108 HD3 ARG 146 2HD ARG 146 8.138 -14.595 2.481 1109 HE ARG 146 HE ARG 146 9.664 -14.757 4.994 1110 HH11 ARG 146 2HH2 ARG 146 7.633 -16.480 2.694 1111 HH12 ARG 146 1HH2 ARG 146 7.151 -17.692 3.833 1112 HH21 ARG 146 2HH1 ARG 146 9.029 -16.357 6.497 1113 HH22 ARG 146 1HH1 ARG 146 7.950 -17.622 6.011 1114 H LYS 147 H LYS 147 11.088 -14.522 -0.889 1115 HA LYS 147 HA LYS 147 10.559 -17.352 -1.238 1116 HB2 LYS 147 1HB LYS 147 9.510 -15.025 -2.868 1117 HB3 LYS 147 2HB LYS 147 8.875 -16.657 -2.800 1118 HG2 LYS 147 1HG LYS 147 8.548 -16.251 -0.251 1119 HG3 LYS 147 2HG LYS 147 8.843 -14.558 -0.594 1120 HD2 LYS 147 1HD LYS 147 6.590 -16.304 -1.671 1121 HD3 LYS 147 2HD LYS 147 6.447 -14.881 -0.659 1122 HE2 LYS 147 1HE LYS 147 7.277 -13.441 -2.491 1123 HE3 LYS 147 2HE LYS 147 7.573 -14.843 -3.499 1124 HZ1 LYS 147 1HZ LYS 147 5.318 -13.467 -3.512 1125 HZ2 LYS 147 2HZ LYS 147 5.414 -15.034 -3.962 1126 HZ3 LYS 147 3HZ LYS 147 4.908 -14.646 -2.459 1127 H GLN 148 H GLN 148 11.814 -14.577 -3.227 1128 HA GLN 148 HA GLN 148 12.621 -16.129 -5.338 1129 HB2 GLN 148 1HB GLN 148 13.679 -13.481 -4.273 1130 HB3 GLN 148 2HB GLN 148 14.223 -14.172 -5.789 1131 HG2 GLN 148 1HG GLN 148 11.455 -14.357 -6.031 1132 HG3 GLN 148 2HG GLN 148 11.641 -12.865 -5.131 1133 HE21 GLN 148 1HE2 GLN 148 13.190 -11.275 -5.954 1134 HE22 GLN 148 2HE2 GLN 148 13.375 -11.072 -7.664 1135 H LYS 149 H LYS 149 15.139 -14.443 -3.395 1136 HA LYS 149 HA LYS 149 16.467 -17.026 -3.019 1137 HB2 LYS 149 1HB LYS 149 17.712 -14.512 -4.167 1138 HB3 LYS 149 2HB LYS 149 18.629 -15.895 -3.603 1139 HG2 LYS 149 1HG LYS 149 16.718 -17.076 -5.266 1140 HG3 LYS 149 2HG LYS 149 17.059 -15.568 -6.092 1141 HD2 LYS 149 1HD LYS 149 19.574 -16.664 -5.194 1142 HD3 LYS 149 2HD LYS 149 18.682 -17.951 -5.980 1143 HE2 LYS 149 1HE LYS 149 18.238 -16.270 -7.906 1144 HE3 LYS 149 2HE LYS 149 19.440 -15.242 -7.152 1145 HZ1 LYS 149 1HZ LYS 149 19.950 -18.033 -7.909 1146 HZ2 LYS 149 2HZ LYS 149 20.322 -16.753 -8.852 1147 HZ3 LYS 149 3HZ LYS 149 21.051 -16.939 -7.402 1148 H ARG 150 H ARG 150 16.706 -17.351 -0.879 1149 HA ARG 150 HA ARG 150 16.176 -15.455 0.992 1150 HB2 ARG 150 1HB ARG 150 17.255 -17.024 2.612 1151 HB3 ARG 150 2HB ARG 150 16.228 -17.879 1.479 1152 HG2 ARG 150 1HG ARG 150 19.120 -17.530 0.718 1153 HG3 ARG 150 2HG ARG 150 18.763 -18.663 2.007 1154 HD2 ARG 150 1HD ARG 150 16.845 -19.404 0.186 1155 HD3 ARG 150 2HD ARG 150 18.088 -18.827 -0.906 1156 HE ARG 150 HE ARG 150 19.244 -20.537 1.123 1157 HH11 ARG 150 2HH2 ARG 150 17.362 -20.626 -1.850 1158 HH12 ARG 150 1HH2 ARG 150 17.883 -22.220 -2.282 1159 HH21 ARG 150 2HH1 ARG 150 19.931 -22.640 0.553 1160 HH22 ARG 150 1HH1 ARG 150 19.354 -23.374 -0.906 1161 H SER 151 H SER 151 17.568 -14.237 2.490 1162 HA SER 151 HA SER 151 20.217 -14.173 2.613 1163 HB2 SER 151 1HB SER 151 19.329 -13.007 0.040 1164 HB3 SER 151 2HB SER 151 20.370 -11.939 0.960 1165 HG SER 151 HG SER 151 21.107 -14.695 0.646 1166 H GLY 152 H GLY 152 20.244 -13.139 4.574 1167 HA2 GLY 152 1HA GLY 152 18.303 -11.071 5.156 1168 HA3 GLY 152 2HA GLY 152 19.472 -11.788 6.248 1169 HA PRO 153 HA PRO 153 21.173 -7.943 4.025 1170 HB2 PRO 153 1HB PRO 153 19.483 -5.816 4.321 1171 HB3 PRO 153 2HB PRO 153 19.586 -6.761 2.848 1172 HG2 PRO 153 1HG PRO 153 17.481 -6.787 4.923 1173 HG3 PRO 153 2HG PRO 153 17.407 -7.383 3.277 1174 HD2 PRO 153 1HD PRO 153 17.692 -8.954 5.660 1175 HD3 PRO 153 2HD PRO 153 17.734 -9.538 4.009 1176 H SER 154 H SER 154 21.973 -5.767 4.946 1177 HA SER 154 HA SER 154 21.456 -5.334 7.643 1178 HB2 SER 154 1HB SER 154 23.665 -6.045 8.589 1179 HB3 SER 154 2HB SER 154 22.675 -7.396 8.072 1180 HG SER 154 HG SER 154 25.077 -7.277 7.416 1181 H SER 155 H SER 155 21.275 -3.261 6.414 1182 HA SER 155 HA SER 155 23.129 -2.081 4.922 1183 HB2 SER 155 1HB SER 155 21.092 -0.919 5.291 1184 HB3 SER 155 2HB SER 155 21.270 -0.958 7.033 1185 HG SER 155 HG SER 155 21.845 1.114 6.523 1186 H GLY 156 H GLY 156 22.978 -1.880 8.556 1187 HA2 GLY 156 1HA GLY 156 25.202 -2.332 9.605 1188 HA3 GLY 156 2HA GLY 156 25.832 -1.102 8.528 Start of MODEL 15 1 H1 GLY 1 H GLY 1 16.798 -13.350 2.202 2 HA2 GLY 1 1HA GLY 1 14.120 -12.284 2.859 3 HA3 GLY 1 2HA GLY 1 15.054 -13.212 4.015 4 H SER 2 H SER 2 16.312 -12.070 5.422 5 HA SER 2 HA SER 2 16.417 -9.338 5.352 6 HB2 SER 2 1HB SER 2 16.809 -10.689 7.382 7 HB3 SER 2 2HB SER 2 18.304 -11.312 6.713 8 HG SER 2 HG SER 2 19.298 -9.326 6.943 9 H SER 3 H SER 3 18.576 -8.005 5.327 10 HA SER 3 HA SER 3 20.311 -9.060 3.242 11 HB2 SER 3 1HB SER 3 18.858 -6.412 3.332 12 HB3 SER 3 2HB SER 3 20.420 -6.495 2.541 13 HG SER 3 HG SER 3 18.670 -6.882 1.046 14 H GLY 4 H GLY 4 19.880 -6.237 5.510 15 HA2 GLY 4 1HA GLY 4 21.576 -6.441 7.413 16 HA3 GLY 4 2HA GLY 4 22.760 -6.396 6.122 17 H SER 5 H SER 5 23.721 -4.395 6.566 18 HA SER 5 HA SER 5 22.074 -2.140 7.081 19 HB2 SER 5 1HB SER 5 25.067 -2.446 6.596 20 HB3 SER 5 2HB SER 5 24.312 -0.912 6.976 21 HG SER 5 HG SER 5 23.823 -1.594 9.032 22 H SER 6 H SER 6 22.678 -0.008 5.720 23 HA SER 6 HA SER 6 22.621 -0.805 2.914 24 HB2 SER 6 1HB SER 6 20.782 0.873 4.491 25 HB3 SER 6 2HB SER 6 21.362 1.697 3.057 26 HG SER 6 HG SER 6 20.201 -0.959 3.067 27 H GLY 7 H GLY 7 23.095 1.369 1.503 28 HA2 GLY 7 1HA GLY 7 25.690 2.302 2.460 29 HA3 GLY 7 2HA GLY 7 25.033 2.441 0.841 30 H ALA 8 H ALA 8 25.846 4.737 1.065 31 HA ALA 8 HA ALA 8 23.826 6.358 2.459 32 HB1 ALA 8 1HB ALA 8 25.671 6.932 3.691 33 HB2 ALA 8 2HB ALA 8 26.809 6.477 2.401 34 HB3 ALA 8 3HB ALA 8 25.944 8.030 2.317 35 H SER 9 H SER 9 22.443 7.034 0.880 36 HA SER 9 HA SER 9 23.400 8.770 -1.073 37 HB2 SER 9 1HB SER 9 23.648 6.089 -1.855 38 HB3 SER 9 2HB SER 9 22.141 6.585 -2.599 39 HG SER 9 HG SER 9 23.176 8.098 -3.832 40 H ARG 10 H ARG 10 21.528 9.553 -2.506 41 HA ARG 10 HA ARG 10 19.525 10.348 -2.663 42 HB2 ARG 10 1HB ARG 10 17.777 8.805 -2.913 43 HB3 ARG 10 2HB ARG 10 19.159 7.731 -2.994 44 HG2 ARG 10 1HG ARG 10 18.451 6.617 -1.152 45 HG3 ARG 10 2HG ARG 10 18.484 8.093 -0.209 46 HD2 ARG 10 1HD ARG 10 16.207 8.579 -0.627 47 HD3 ARG 10 2HD ARG 10 16.165 7.630 -2.100 48 HE ARG 10 HE ARG 10 15.763 6.641 0.622 49 HH11 ARG 10 2HH2 ARG 10 16.737 5.738 -2.637 50 HH12 ARG 10 1HH2 ARG 10 16.340 4.065 -2.429 51 HH21 ARG 10 2HH1 ARG 10 15.239 4.434 0.896 52 HH22 ARG 10 1HH1 ARG 10 15.482 3.318 -0.406 53 HA PRO 11 HA PRO 11 18.088 11.767 1.205 54 HB2 PRO 11 1HB PRO 11 15.467 12.408 0.777 55 HB3 PRO 11 2HB PRO 11 16.798 13.426 0.266 56 HG2 PRO 11 1HG PRO 11 15.067 11.677 -1.372 57 HG3 PRO 11 2HG PRO 11 16.097 12.997 -1.889 58 HD2 PRO 11 1HD PRO 11 16.642 10.193 -2.148 59 HD3 PRO 11 2HD PRO 11 17.720 11.513 -2.559 60 H HIS 12 H HIS 12 15.642 11.696 2.555 61 HA HIS 12 HA HIS 12 15.588 8.822 3.121 62 HB2 HIS 12 1HB HIS 12 15.910 11.148 4.816 63 HB3 HIS 12 2HB HIS 12 14.490 10.242 5.298 64 HD1 HIS 12 1HD HIS 12 17.553 10.491 6.618 65 HD2 HIS 12 2HD HIS 12 15.682 7.177 4.853 66 HE1 HIS 12 1HE HIS 12 18.729 8.426 7.549 67 H GLN 13 H GLN 13 13.241 8.843 4.740 68 HA GLN 13 HA GLN 13 11.042 9.111 4.699 69 HB2 GLN 13 1HB GLN 13 11.089 10.274 1.896 70 HB3 GLN 13 2HB GLN 13 9.856 10.465 3.126 71 HG2 GLN 13 1HG GLN 13 12.291 11.407 4.293 72 HG3 GLN 13 2HG GLN 13 12.242 12.068 2.671 73 HE21 GLN 13 1HE2 GLN 13 10.702 11.909 5.786 74 HE22 GLN 13 2HE2 GLN 13 9.618 13.248 5.603 75 H TRP 14 H TRP 14 13.038 7.675 2.254 76 HA TRP 14 HA TRP 14 10.839 5.914 1.428 77 HB2 TRP 14 1HB TRP 14 13.513 6.462 0.127 78 HB3 TRP 14 2HB TRP 14 12.335 5.295 -0.441 79 HD1 TRP 14 HD TRP 14 12.069 9.107 0.459 80 HE1 TRP 14 1HE TRP 14 10.720 10.394 -1.408 81 HE3 TRP 14 3HE TRP 14 11.216 5.038 -2.469 82 HZ2 TRP 14 2HZ TRP 14 9.475 9.585 -3.845 83 HZ3 TRP 14 3HZ TRP 14 9.926 5.374 -4.576 84 HH2 TRP 14 HH TRP 14 9.066 7.551 -5.279 85 H GLN 15 H GLN 15 14.424 5.821 2.084 86 HA GLN 15 HA GLN 15 14.649 3.168 2.475 87 HB2 GLN 15 1HB GLN 15 16.656 4.400 2.447 88 HB3 GLN 15 2HB GLN 15 16.095 5.547 3.648 89 HG2 GLN 15 1HG GLN 15 16.734 4.221 5.410 90 HG3 GLN 15 2HG GLN 15 16.181 2.749 4.637 91 HE21 GLN 15 1HE2 GLN 15 17.479 1.906 2.839 92 HE22 GLN 15 2HE2 GLN 15 19.204 2.041 2.900 93 H THR 16 H THR 16 13.596 5.668 4.853 94 HA THR 16 HA THR 16 13.562 4.164 7.145 95 HB THR 16 HB THR 16 13.111 6.578 7.084 96 HG1 THR 16 1HG THR 16 11.795 6.116 8.801 97 HG21 THR 16 1HG2 THR 16 11.259 7.570 6.020 98 HG22 THR 16 2HG2 THR 16 11.641 6.275 4.861 99 HG23 THR 16 3HG2 THR 16 10.320 6.058 6.034 100 H ASP 17 H ASP 17 11.142 4.214 4.483 101 HA ASP 17 HA ASP 17 9.306 2.623 5.823 102 HB2 ASP 17 1HB ASP 17 9.880 3.073 2.863 103 HB3 ASP 17 2HB ASP 17 8.535 2.091 3.408 104 H GLU 18 H GLU 18 12.321 1.991 4.072 105 HA GLU 18 HA GLU 18 11.798 -0.703 3.480 106 HB2 GLU 18 1HB GLU 18 13.526 0.794 2.368 107 HB3 GLU 18 2HB GLU 18 14.508 0.653 3.812 108 HG2 GLU 18 1HG GLU 18 14.995 -1.608 3.441 109 HG3 GLU 18 2HG GLU 18 13.509 -1.899 2.559 110 H GLU 19 H GLU 19 12.535 0.994 6.402 111 HA GLU 19 HA GLU 19 13.695 -1.367 7.604 112 HB2 GLU 19 1HB GLU 19 13.279 1.461 8.666 113 HB3 GLU 19 2HB GLU 19 14.000 0.165 9.599 114 HG2 GLU 19 1HG GLU 19 15.560 -0.045 7.402 115 HG3 GLU 19 2HG GLU 19 15.108 1.637 7.217 116 H GLY 20 H GLY 20 11.112 1.058 8.464 117 HA2 GLY 20 1HA GLY 20 9.840 -0.243 10.462 118 HA3 GLY 20 2HA GLY 20 9.021 0.735 9.260 119 H VAL 21 H VAL 21 10.036 -1.239 7.077 120 HA VAL 21 HA VAL 21 7.720 -2.911 7.188 121 HB VAL 21 HB VAL 21 8.557 -1.840 5.137 122 HG11 VAL 21 1HG1 VAL 21 10.806 -3.861 5.107 123 HG12 VAL 21 2HG1 VAL 21 10.568 -2.439 4.063 124 HG13 VAL 21 3HG1 VAL 21 11.016 -2.224 5.773 125 HG21 VAL 21 1HG2 VAL 21 8.028 -3.617 3.697 126 HG22 VAL 21 2HG2 VAL 21 8.754 -4.832 4.775 127 HG23 VAL 21 3HG2 VAL 21 7.222 -4.045 5.225 128 H ARG 22 H ARG 22 11.312 -3.406 7.284 129 HA ARG 22 HA ARG 22 10.972 -6.173 7.734 130 HB2 ARG 22 1HB ARG 22 13.494 -6.061 8.192 131 HB3 ARG 22 2HB ARG 22 12.995 -5.476 6.617 132 HG2 ARG 22 1HG ARG 22 13.353 -3.215 7.183 133 HG3 ARG 22 2HG ARG 22 13.156 -3.501 8.900 134 HD2 ARG 22 1HD ARG 22 15.379 -3.934 9.185 135 HD3 ARG 22 2HD ARG 22 15.416 -5.046 7.830 136 HE ARG 22 HE ARG 22 15.216 -2.350 6.843 137 HH11 ARG 22 2HH2 ARG 22 17.511 -4.547 8.356 138 HH12 ARG 22 1HH2 ARG 22 18.900 -3.769 7.674 139 HH21 ARG 22 2HH1 ARG 22 17.048 -1.323 5.943 140 HH22 ARG 22 1HH1 ARG 22 18.635 -1.923 6.293 141 H THR 23 H THR 23 11.416 -3.232 9.704 142 HA THR 23 HA THR 23 11.883 -4.763 12.122 143 HB THR 23 HB THR 23 12.265 -2.566 13.091 144 HG1 THR 23 1HG THR 23 11.153 -1.599 10.556 145 HG21 THR 23 1HG2 THR 23 14.102 -1.965 11.844 146 HG22 THR 23 2HG2 THR 23 13.681 -3.354 10.813 147 HG23 THR 23 3HG2 THR 23 13.122 -1.720 10.379 148 H GLY 24 H GLY 24 9.499 -2.143 11.353 149 HA2 GLY 24 1HA GLY 24 7.132 -3.210 11.455 150 HA3 GLY 24 2HA GLY 24 7.598 -3.525 13.115 151 H LYS 25 H LYS 25 7.841 -0.758 10.755 152 HA LYS 25 HA LYS 25 6.172 0.900 12.281 153 HB2 LYS 25 1HB LYS 25 8.038 2.553 12.927 154 HB3 LYS 25 2HB LYS 25 7.768 1.156 13.950 155 HG2 LYS 25 1HG LYS 25 10.093 1.073 13.696 156 HG3 LYS 25 2HG LYS 25 9.583 -0.007 12.413 157 HD2 LYS 25 1HD LYS 25 9.742 1.842 10.759 158 HD3 LYS 25 2HD LYS 25 10.181 2.966 12.031 159 HE2 LYS 25 1HE LYS 25 11.847 0.470 11.771 160 HE3 LYS 25 2HE LYS 25 12.035 1.690 10.527 161 HZ1 LYS 25 1HZ LYS 25 12.099 3.175 12.714 162 HZ2 LYS 25 2HZ LYS 25 12.761 1.801 13.298 163 HZ3 LYS 25 3HZ LYS 25 13.435 2.550 12.012 164 H CYS 26 H CYS 26 6.279 0.041 9.609 165 HA CYS 26 HA CYS 26 7.309 2.408 8.233 166 HB2 CYS 26 1HB CYS 26 8.257 0.348 7.376 167 HB3 CYS 26 2HB CYS 26 6.668 -0.365 7.181 168 HG CYS 26 HG CYS 26 7.161 2.592 5.902 169 H SER 27 H SER 27 5.173 3.199 9.530 170 HA SER 27 HA SER 27 2.961 2.813 7.667 171 HB2 SER 27 1HB SER 27 1.398 2.948 9.466 172 HB3 SER 27 2HB SER 27 2.650 1.855 10.021 173 HG SER 27 HG SER 27 2.444 4.673 10.672 174 H PHE 28 H PHE 28 1.664 4.726 7.188 175 HA PHE 28 HA PHE 28 2.694 7.238 8.228 176 HB2 PHE 28 1HB PHE 28 2.342 7.759 5.512 177 HB3 PHE 28 2HB PHE 28 3.900 7.433 6.244 178 HD1 PHE 28 1HD PHE 28 4.593 4.920 6.382 179 HD2 PHE 28 2HD PHE 28 1.588 6.407 3.781 180 HE1 PHE 28 1HE PHE 28 4.857 2.896 4.920 181 HE2 PHE 28 2HE PHE 28 1.852 4.384 2.319 182 HZ PHE 28 HZ PHE 28 3.483 2.653 2.906 183 HA PRO 29 HA PRO 29 -1.444 8.453 7.817 184 HB2 PRO 29 1HB PRO 29 -1.312 11.116 7.215 185 HB3 PRO 29 2HB PRO 29 -1.075 10.486 8.833 186 HG2 PRO 29 1HG PRO 29 0.943 11.500 6.925 187 HG3 PRO 29 2HG PRO 29 1.086 11.272 8.657 188 HD2 PRO 29 1HD PRO 29 2.172 9.584 6.607 189 HD3 PRO 29 2HD PRO 29 2.215 9.295 8.335 190 H VAL 30 H VAL 30 -2.803 7.603 6.381 191 HA VAL 30 HA VAL 30 -2.833 8.922 3.797 192 HB VAL 30 HB VAL 30 -2.407 7.069 2.506 193 HG11 VAL 30 1HG1 VAL 30 -0.360 7.833 3.673 194 HG12 VAL 30 2HG1 VAL 30 -0.630 6.596 4.924 195 HG13 VAL 30 3HG1 VAL 30 -0.296 6.107 3.245 196 HG21 VAL 30 1HG2 VAL 30 -2.777 5.268 4.924 197 HG22 VAL 30 2HG2 VAL 30 -3.990 5.558 3.654 198 HG23 VAL 30 3HG2 VAL 30 -2.458 4.747 3.252 199 H LYS 31 H LYS 31 -4.874 8.693 2.712 200 HA LYS 31 HA LYS 31 -6.976 7.870 4.566 201 HB2 LYS 31 1HB LYS 31 -7.039 9.644 2.107 202 HB3 LYS 31 2HB LYS 31 -8.444 9.219 3.064 203 HG2 LYS 31 1HG LYS 31 -7.567 10.334 5.028 204 HG3 LYS 31 2HG LYS 31 -5.976 10.498 4.312 205 HD2 LYS 31 1HD LYS 31 -7.021 11.969 2.507 206 HD3 LYS 31 2HD LYS 31 -8.527 11.906 3.400 207 HE2 LYS 31 1HE LYS 31 -7.484 12.969 5.356 208 HE3 LYS 31 2HE LYS 31 -5.899 12.882 4.612 209 HZ1 LYS 31 1HZ LYS 31 -6.329 14.793 3.646 210 HZ2 LYS 31 2HZ LYS 31 -7.600 14.158 2.840 211 HZ3 LYS 31 3HZ LYS 31 -7.824 14.852 4.302 212 H TYR 32 H TYR 32 -8.504 6.297 4.051 213 HA TYR 32 HA TYR 32 -7.685 4.514 1.918 214 HB2 TYR 32 1HB TYR 32 -8.302 3.823 4.304 215 HB3 TYR 32 2HB TYR 32 -9.906 4.484 4.057 216 HD1 TYR 32 1HD TYR 32 -8.152 2.636 1.387 217 HD2 TYR 32 2HD TYR 32 -11.032 2.390 4.541 218 HE1 TYR 32 1HE TYR 32 -8.944 0.390 0.498 219 HE2 TYR 32 2HE TYR 32 -11.814 0.144 3.641 220 HH TYR 32 HH TYR 32 -10.981 -1.651 2.316 221 H LEU 33 H LEU 33 -8.519 4.663 -0.099 222 HA LEU 33 HA LEU 33 -10.897 6.238 -0.503 223 HB2 LEU 33 1HB LEU 33 -9.003 4.826 -2.382 224 HB3 LEU 33 2HB LEU 33 -10.412 5.723 -2.911 225 HG LEU 33 HG LEU 33 -8.122 6.915 -1.324 226 HD11 LEU 33 1HD1 LEU 33 -7.339 7.903 -3.383 227 HD12 LEU 33 2HD1 LEU 33 -7.418 6.134 -3.567 228 HD13 LEU 33 3HD1 LEU 33 -8.677 7.163 -4.293 229 HD21 LEU 33 1HD2 LEU 33 -9.880 8.328 -0.880 230 HD22 LEU 33 2HD2 LEU 33 -9.225 9.053 -2.368 231 HD23 LEU 33 3HD2 LEU 33 -10.673 8.020 -2.444 232 H GLY 34 H GLY 34 -9.821 2.820 -1.082 233 HA2 GLY 34 1HA GLY 34 -11.818 1.387 -0.150 234 HA3 GLY 34 2HA GLY 34 -12.602 2.055 -1.568 235 H HIS 35 H HIS 35 -12.783 -0.058 -2.545 236 HA HIS 35 HA HIS 35 -10.250 -0.908 -3.721 237 HB2 HIS 35 1HB HIS 35 -11.333 -3.303 -3.496 238 HB3 HIS 35 2HB HIS 35 -10.353 -2.613 -2.218 239 HD1 HIS 35 1HD HIS 35 -11.386 -3.318 -0.058 240 HD2 HIS 35 2HD HIS 35 -14.267 -2.129 -2.865 241 HE1 HIS 35 1HE HIS 35 -13.638 -3.429 1.138 242 H VAL 36 H VAL 36 -10.419 -1.709 -5.869 243 HA VAL 36 HA VAL 36 -13.104 -1.684 -7.017 244 HB VAL 36 HB VAL 36 -12.450 -0.265 -8.818 245 HG11 VAL 36 1HG1 VAL 36 -11.322 1.356 -6.592 246 HG12 VAL 36 2HG1 VAL 36 -12.659 1.711 -7.712 247 HG13 VAL 36 3HG1 VAL 36 -12.926 0.633 -6.321 248 HG21 VAL 36 1HG2 VAL 36 -10.286 0.651 -9.159 249 HG22 VAL 36 2HG2 VAL 36 -9.720 0.110 -7.561 250 HG23 VAL 36 3HG2 VAL 36 -10.040 -1.083 -8.843 251 H GLU 37 H GLU 37 -13.323 -3.033 -8.882 252 HA GLU 37 HA GLU 37 -11.363 -5.111 -8.896 253 HB2 GLU 37 1HB GLU 37 -14.019 -5.231 -9.088 254 HB3 GLU 37 2HB GLU 37 -13.704 -5.021 -10.799 255 HG2 GLU 37 1HG GLU 37 -11.909 -6.955 -10.402 256 HG3 GLU 37 2HG GLU 37 -12.883 -7.301 -8.987 257 H VAL 38 H VAL 38 -9.567 -5.034 -10.168 258 HA VAL 38 HA VAL 38 -9.248 -3.098 -12.171 259 HB VAL 38 HB VAL 38 -7.189 -4.402 -12.686 260 HG11 VAL 38 1HG1 VAL 38 -6.351 -3.078 -11.099 261 HG12 VAL 38 2HG1 VAL 38 -7.913 -3.055 -10.246 262 HG13 VAL 38 3HG1 VAL 38 -6.724 -4.331 -9.891 263 HG21 VAL 38 1HG2 VAL 38 -6.955 -6.176 -10.575 264 HG22 VAL 38 2HG2 VAL 38 -8.624 -6.437 -11.137 265 HG23 VAL 38 3HG2 VAL 38 -7.265 -6.606 -12.274 266 H ASP 39 H ASP 39 -8.129 -4.360 -14.382 267 HA ASP 39 HA ASP 39 -10.320 -6.011 -15.352 268 HB2 ASP 39 1HB ASP 39 -9.846 -3.360 -16.132 269 HB3 ASP 39 2HB ASP 39 -9.046 -4.282 -17.389 270 H GLU 40 H GLU 40 -6.950 -4.746 -15.745 271 HA GLU 40 HA GLU 40 -6.309 -7.108 -17.306 272 HB2 GLU 40 1HB GLU 40 -4.515 -4.705 -16.787 273 HB3 GLU 40 2HB GLU 40 -4.327 -5.924 -18.031 274 HG2 GLU 40 1HG GLU 40 -6.977 -4.663 -18.178 275 HG3 GLU 40 2HG GLU 40 -5.702 -3.464 -18.266 276 H SER 41 H SER 41 -5.740 -5.462 -14.212 277 HA SER 41 HA SER 41 -5.025 -6.338 -12.324 278 HB2 SER 41 1HB SER 41 -3.751 -8.733 -13.667 279 HB3 SER 41 2HB SER 41 -4.398 -8.606 -12.043 280 HG SER 41 HG SER 41 -5.651 -9.572 -14.173 281 H ARG 42 H ARG 42 -3.365 -5.319 -14.991 282 HA ARG 42 HA ARG 42 -1.064 -4.758 -13.424 283 HB2 ARG 42 1HB ARG 42 0.564 -5.704 -15.094 284 HB3 ARG 42 2HB ARG 42 -0.376 -6.949 -14.296 285 HG2 ARG 42 1HG ARG 42 -1.868 -6.111 -16.610 286 HG3 ARG 42 2HG ARG 42 -0.210 -6.352 -17.124 287 HD2 ARG 42 1HD ARG 42 -0.484 -8.588 -15.606 288 HD3 ARG 42 2HD ARG 42 -2.169 -8.355 -16.028 289 HE ARG 42 HE ARG 42 -0.479 -8.090 -18.368 290 HH11 ARG 42 2HH2 ARG 42 -1.926 -10.471 -16.219 291 HH12 ARG 42 1HH2 ARG 42 -1.936 -11.729 -17.410 292 HH21 ARG 42 2HH1 ARG 42 -0.493 -9.748 -19.941 293 HH22 ARG 42 1HH1 ARG 42 -1.116 -11.314 -19.542 294 H GLY 43 H GLY 43 -0.174 -2.775 -14.086 295 HA2 GLY 43 1HA GLY 43 0.282 -1.614 -16.376 296 HA3 GLY 43 2HA GLY 43 -1.467 -1.510 -16.396 297 H MET 44 H MET 44 1.199 0.286 -15.747 298 HA MET 44 HA MET 44 0.774 1.335 -13.238 299 HB2 MET 44 1HB MET 44 1.849 2.669 -15.787 300 HB3 MET 44 2HB MET 44 2.085 3.304 -14.171 301 HG2 MET 44 1HG MET 44 3.656 1.689 -13.606 302 HG3 MET 44 2HG MET 44 2.885 0.442 -14.567 303 HE1 MET 44 1HE MET 44 2.690 0.545 -17.065 304 HE2 MET 44 2HE MET 44 4.117 0.874 -18.076 305 HE3 MET 44 3HE MET 44 4.184 -0.392 -16.827 306 H HIS 45 H HIS 45 -0.958 1.824 -16.271 307 HA HIS 45 HA HIS 45 -2.160 4.276 -15.375 308 HB2 HIS 45 1HB HIS 45 -3.373 4.184 -17.495 309 HB3 HIS 45 2HB HIS 45 -1.646 3.994 -17.726 310 HD1 HIS 45 1HD HIS 45 -0.786 1.725 -18.647 311 HD2 HIS 45 2HD HIS 45 -4.937 1.869 -18.065 312 HE1 HIS 45 1HE HIS 45 -1.743 -0.330 -19.818 313 H ILE 46 H ILE 46 -2.575 0.932 -14.796 314 HA ILE 46 HA ILE 46 -5.422 0.934 -14.632 315 HB ILE 46 HB ILE 46 -3.432 -0.996 -13.437 316 HG12 ILE 46 1HG1 ILE 46 -3.281 -0.450 -15.988 317 HG13 ILE 46 2HG1 ILE 46 -3.244 -2.113 -15.437 318 HG21 ILE 46 1HG2 ILE 46 -6.390 -1.144 -14.027 319 HG22 ILE 46 2HG2 ILE 46 -5.379 -2.593 -13.809 320 HG23 ILE 46 3HG2 ILE 46 -5.543 -1.415 -12.485 321 HD11 ILE 46 1HD1 ILE 46 -4.831 -1.572 -17.401 322 HD12 ILE 46 2HD1 ILE 46 -5.527 -2.495 -16.047 323 HD13 ILE 46 3HD1 ILE 46 -5.856 -0.752 -16.199 324 H CYS 47 H CYS 47 -2.776 0.785 -12.138 325 HA CYS 47 HA CYS 47 -4.214 0.931 -9.904 326 HB2 CYS 47 1HB CYS 47 -1.688 2.512 -10.484 327 HB3 CYS 47 2HB CYS 47 -2.334 2.207 -8.884 328 HG CYS 47 HG CYS 47 -0.264 0.610 -10.277 329 H GLU 48 H GLU 48 -3.109 3.823 -11.829 330 HA GLU 48 HA GLU 48 -4.453 5.688 -10.342 331 HB2 GLU 48 1HB GLU 48 -3.696 5.674 -13.293 332 HB3 GLU 48 2HB GLU 48 -4.309 7.095 -12.472 333 HG2 GLU 48 1HG GLU 48 -2.395 7.321 -11.122 334 HG3 GLU 48 2HG GLU 48 -1.987 5.619 -11.225 335 H ASP 49 H ASP 49 -5.503 4.011 -13.391 336 HA ASP 49 HA ASP 49 -7.838 5.186 -13.832 337 HB2 ASP 49 1HB ASP 49 -6.628 2.655 -14.433 338 HB3 ASP 49 2HB ASP 49 -8.279 2.314 -13.953 339 H ALA 50 H ALA 50 -6.977 2.930 -11.198 340 HA ALA 50 HA ALA 50 -9.549 2.231 -10.369 341 HB1 ALA 50 1HB ALA 50 -8.461 1.390 -8.436 342 HB2 ALA 50 2HB ALA 50 -7.248 1.257 -9.731 343 HB3 ALA 50 3HB ALA 50 -7.148 2.586 -8.552 344 H VAL 51 H VAL 51 -7.291 4.712 -8.951 345 HA VAL 51 HA VAL 51 -8.904 5.839 -7.140 346 HB VAL 51 HB VAL 51 -7.170 7.380 -9.077 347 HG11 VAL 51 1HG1 VAL 51 -7.300 8.063 -6.187 348 HG12 VAL 51 2HG1 VAL 51 -7.184 9.119 -7.615 349 HG13 VAL 51 3HG1 VAL 51 -8.753 8.417 -7.152 350 HG21 VAL 51 1HG2 VAL 51 -6.487 5.313 -7.124 351 HG22 VAL 51 2HG2 VAL 51 -5.492 6.061 -8.396 352 HG23 VAL 51 3HG2 VAL 51 -5.652 6.854 -6.811 353 H LYS 52 H LYS 52 -8.708 7.061 -10.564 354 HA LYS 52 HA LYS 52 -10.722 8.836 -10.508 355 HB2 LYS 52 1HB LYS 52 -9.843 6.924 -12.675 356 HB3 LYS 52 2HB LYS 52 -11.097 8.116 -12.954 357 HG2 LYS 52 1HG LYS 52 -9.476 9.651 -13.346 358 HG3 LYS 52 2HG LYS 52 -9.032 9.553 -11.654 359 HD2 LYS 52 1HD LYS 52 -7.054 8.608 -12.220 360 HD3 LYS 52 2HD LYS 52 -7.900 7.248 -12.931 361 HE2 LYS 52 1HE LYS 52 -7.047 9.829 -14.307 362 HE3 LYS 52 2HE LYS 52 -6.525 8.197 -14.677 363 HZ1 LYS 52 1HZ LYS 52 -8.172 8.162 -16.119 364 HZ2 LYS 52 2HZ LYS 52 -9.239 8.144 -14.883 365 HZ3 LYS 52 3HZ LYS 52 -8.815 9.561 -15.575 366 H ARG 53 H ARG 53 -11.021 5.255 -10.730 367 HA ARG 53 HA ARG 53 -13.696 5.157 -11.249 368 HB2 ARG 53 1HB ARG 53 -11.691 3.315 -10.750 369 HB3 ARG 53 2HB ARG 53 -12.678 3.118 -9.316 370 HG2 ARG 53 1HG ARG 53 -14.709 2.975 -10.945 371 HG3 ARG 53 2HG ARG 53 -13.524 2.780 -12.221 372 HD2 ARG 53 1HD ARG 53 -13.687 0.546 -11.718 373 HD3 ARG 53 2HD ARG 53 -12.584 0.935 -10.413 374 HE ARG 53 HE ARG 53 -14.322 0.611 -8.882 375 HH11 ARG 53 2HH2 ARG 53 -15.693 1.074 -12.089 376 HH12 ARG 53 1HH2 ARG 53 -17.310 0.705 -11.591 377 HH21 ARG 53 2HH1 ARG 53 -16.455 0.124 -8.223 378 HH22 ARG 53 1HH1 ARG 53 -17.747 0.161 -9.377 379 H LEU 54 H LEU 54 -12.012 4.976 -8.021 380 HA LEU 54 HA LEU 54 -14.394 5.020 -6.535 381 HB2 LEU 54 1HB LEU 54 -11.611 5.832 -5.686 382 HB3 LEU 54 2HB LEU 54 -12.943 5.405 -4.631 383 HG LEU 54 HG LEU 54 -11.804 3.464 -6.649 384 HD11 LEU 54 1HD1 LEU 54 -11.006 3.576 -3.736 385 HD12 LEU 54 2HD1 LEU 54 -10.312 2.586 -5.043 386 HD13 LEU 54 3HD1 LEU 54 -10.060 4.348 -5.031 387 HD21 LEU 54 1HD2 LEU 54 -12.732 1.899 -4.732 388 HD22 LEU 54 2HD2 LEU 54 -13.761 3.313 -4.395 389 HD23 LEU 54 3HD2 LEU 54 -13.796 2.549 -6.003 390 H LYS 55 H LYS 55 -12.712 7.452 -8.336 391 HA LYS 55 HA LYS 55 -13.627 9.638 -6.710 392 HB2 LYS 55 1HB LYS 55 -11.716 9.219 -8.810 393 HB3 LYS 55 2HB LYS 55 -12.806 10.501 -9.298 394 HG2 LYS 55 1HG LYS 55 -12.215 11.890 -7.504 395 HG3 LYS 55 2HG LYS 55 -11.777 10.549 -6.465 396 HD2 LYS 55 1HD LYS 55 -9.927 10.249 -8.490 397 HD3 LYS 55 2HD LYS 55 -10.134 11.989 -8.497 398 HE2 LYS 55 1HE LYS 55 -9.969 11.210 -5.745 399 HE3 LYS 55 2HE LYS 55 -8.700 10.337 -6.581 400 HZ1 LYS 55 1HZ LYS 55 -8.372 12.688 -7.655 401 HZ2 LYS 55 2HZ LYS 55 -9.034 13.186 -6.247 402 HZ3 LYS 55 3HZ LYS 55 -7.669 12.289 -6.236 403 H ALA 56 H ALA 56 -14.863 7.601 -9.265 404 HA ALA 56 HA ALA 56 -16.959 9.565 -9.840 405 HB1 ALA 56 1HB ALA 56 -15.462 7.646 -11.400 406 HB2 ALA 56 2HB ALA 56 -17.198 7.260 -11.483 407 HB3 ALA 56 3HB ALA 56 -16.623 8.878 -11.951 408 H THR 57 H THR 57 -16.215 6.864 -7.882 409 HA THR 57 HA THR 57 -18.754 5.575 -7.959 410 HB THR 57 HB THR 57 -16.274 4.854 -7.143 411 HG1 THR 57 1HG THR 57 -17.531 3.086 -6.631 412 HG21 THR 57 1HG2 THR 57 -17.673 5.176 -4.483 413 HG22 THR 57 2HG2 THR 57 -15.938 4.972 -4.822 414 HG23 THR 57 3HG2 THR 57 -16.718 6.548 -5.095 415 H GLY 58 H GLY 58 -17.559 8.507 -6.516 416 HA2 GLY 58 1HA GLY 58 -18.631 10.068 -5.297 417 HA3 GLY 58 2HA GLY 58 -20.129 9.194 -5.546 418 H LYS 59 H LYS 59 -16.996 8.757 -3.739 419 HA LYS 59 HA LYS 59 -18.625 8.014 -1.414 420 HB2 LYS 59 1HB LYS 59 -17.159 6.198 -2.844 421 HB3 LYS 59 2HB LYS 59 -15.985 6.707 -1.648 422 HG2 LYS 59 1HG LYS 59 -18.417 6.404 -0.210 423 HG3 LYS 59 2HG LYS 59 -18.363 5.035 -1.303 424 HD2 LYS 59 1HD LYS 59 -15.741 5.545 -0.058 425 HD3 LYS 59 2HD LYS 59 -16.988 5.272 1.142 426 HE2 LYS 59 1HE LYS 59 -17.194 3.373 -1.106 427 HE3 LYS 59 2HE LYS 59 -15.629 3.291 -0.322 428 HZ1 LYS 59 1HZ LYS 59 -17.373 1.882 0.673 429 HZ2 LYS 59 2HZ LYS 59 -16.667 2.898 1.739 430 HZ3 LYS 59 3HZ LYS 59 -18.159 3.228 1.163 431 H LYS 60 H LYS 60 -15.991 7.626 0.066 432 HA LYS 60 HA LYS 60 -14.824 10.260 -0.014 433 HB2 LYS 60 1HB LYS 60 -15.398 10.910 2.216 434 HB3 LYS 60 2HB LYS 60 -16.883 10.575 1.349 435 HG2 LYS 60 1HG LYS 60 -17.356 8.671 2.593 436 HG3 LYS 60 2HG LYS 60 -15.667 8.256 2.810 437 HD2 LYS 60 1HD LYS 60 -15.466 10.261 4.388 438 HD3 LYS 60 2HD LYS 60 -17.205 10.447 4.275 439 HE2 LYS 60 1HE LYS 60 -17.314 7.917 4.973 440 HE3 LYS 60 2HE LYS 60 -15.643 8.123 5.460 441 HZ1 LYS 60 1HZ LYS 60 -17.219 8.563 7.240 442 HZ2 LYS 60 2HZ LYS 60 -16.307 9.878 6.915 443 HZ3 LYS 60 3HZ LYS 60 -17.856 9.812 6.402 444 H ALA 61 H ALA 61 -12.949 10.389 1.566 445 HA ALA 61 HA ALA 61 -11.757 7.717 1.742 446 HB1 ALA 61 1HB ALA 61 -9.758 8.695 1.211 447 HB2 ALA 61 2HB ALA 61 -10.817 9.933 0.495 448 HB3 ALA 61 3HB ALA 61 -10.123 10.184 2.115 449 H VAL 62 H VAL 62 -11.142 6.861 3.706 450 HA VAL 62 HA VAL 62 -12.013 8.366 6.034 451 HB VAL 62 HB VAL 62 -11.297 5.497 5.474 452 HG11 VAL 62 1HG1 VAL 62 -11.415 6.916 8.115 453 HG12 VAL 62 2HG1 VAL 62 -12.036 5.252 7.997 454 HG13 VAL 62 3HG1 VAL 62 -10.344 5.603 7.571 455 HG21 VAL 62 1HG2 VAL 62 -13.662 6.831 5.224 456 HG22 VAL 62 2HG2 VAL 62 -13.518 5.088 5.555 457 HG23 VAL 62 3HG2 VAL 62 -13.787 6.229 6.895 458 H LYS 63 H LYS 63 -10.625 8.684 7.896 459 HA LYS 63 HA LYS 63 -7.863 9.062 7.062 460 HB2 LYS 63 1HB LYS 63 -9.575 10.178 9.279 461 HB3 LYS 63 2HB LYS 63 -7.829 10.314 9.334 462 HG2 LYS 63 1HG LYS 63 -8.498 11.068 6.693 463 HG3 LYS 63 2HG LYS 63 -9.757 11.789 7.676 464 HD2 LYS 63 1HD LYS 63 -7.943 13.391 7.543 465 HD3 LYS 63 2HD LYS 63 -7.961 12.762 9.178 466 HE2 LYS 63 1HE LYS 63 -6.235 10.980 8.217 467 HE3 LYS 63 2HE LYS 63 -6.006 12.160 6.941 468 HZ1 LYS 63 1HZ LYS 63 -5.076 12.235 9.589 469 HZ2 LYS 63 2HZ LYS 63 -4.668 13.193 8.331 470 HZ3 LYS 63 3HZ LYS 63 -5.946 13.580 9.271 471 H ALA 64 H ALA 64 -6.562 7.323 7.326 472 HA ALA 64 HA ALA 64 -6.505 6.117 9.965 473 HB1 ALA 64 1HB ALA 64 -6.313 3.926 8.205 474 HB2 ALA 64 2HB ALA 64 -7.653 4.293 9.317 475 HB3 ALA 64 3HB ALA 64 -7.715 4.862 7.632 476 H VAL 65 H VAL 65 -4.543 4.523 10.042 477 HA VAL 65 HA VAL 65 -2.384 5.840 8.565 478 HB VAL 65 HB VAL 65 -2.471 4.277 11.148 479 HG11 VAL 65 1HG1 VAL 65 -0.278 3.873 11.047 480 HG12 VAL 65 2HG1 VAL 65 -0.322 4.379 9.341 481 HG13 VAL 65 3HG1 VAL 65 0.072 5.563 10.610 482 HG21 VAL 65 1HG2 VAL 65 -2.201 6.271 12.257 483 HG22 VAL 65 2HG2 VAL 65 -1.383 7.055 10.884 484 HG23 VAL 65 3HG2 VAL 65 -3.148 6.827 10.856 485 H LEU 66 H LEU 66 -1.456 4.780 6.894 486 HA LEU 66 HA LEU 66 -2.169 2.002 6.508 487 HB2 LEU 66 1HB LEU 66 -2.440 3.255 4.581 488 HB3 LEU 66 2HB LEU 66 -0.970 4.174 4.834 489 HG LEU 66 HG LEU 66 0.399 2.267 4.208 490 HD11 LEU 66 1HD1 LEU 66 -1.403 0.616 5.138 491 HD12 LEU 66 2HD1 LEU 66 -2.011 0.644 3.466 492 HD13 LEU 66 3HD1 LEU 66 -0.341 0.125 3.797 493 HD21 LEU 66 1HD2 LEU 66 -0.097 2.184 1.870 494 HD22 LEU 66 2HD2 LEU 66 -1.802 2.606 2.157 495 HD23 LEU 66 3HD2 LEU 66 -0.524 3.806 2.465 496 H TRP 67 H TRP 67 -0.959 0.383 7.316 497 HA TRP 67 HA TRP 67 1.813 1.002 8.010 498 HB2 TRP 67 1HB TRP 67 -0.003 -1.267 8.842 499 HB3 TRP 67 2HB TRP 67 1.673 -1.098 9.324 500 HD1 TRP 67 HD TRP 67 -1.624 0.977 9.669 501 HE1 TRP 67 1HE TRP 67 -1.651 2.292 11.957 502 HE3 TRP 67 3HE TRP 67 3.036 -0.431 11.136 503 HZ2 TRP 67 2HZ TRP 67 0.237 2.588 14.076 504 HZ3 TRP 67 3HZ TRP 67 3.869 0.415 13.328 505 HH2 TRP 67 HH TRP 67 2.551 1.875 14.780 506 H VAL 68 H VAL 68 3.534 -0.388 7.257 507 HA VAL 68 HA VAL 68 2.759 -2.202 5.090 508 HB VAL 68 HB VAL 68 5.119 -0.334 4.935 509 HG11 VAL 68 1HG1 VAL 68 4.711 -0.835 2.432 510 HG12 VAL 68 2HG1 VAL 68 5.434 -2.111 3.441 511 HG13 VAL 68 3HG1 VAL 68 3.707 -2.185 3.013 512 HG21 VAL 68 1HG2 VAL 68 2.262 0.236 4.457 513 HG22 VAL 68 2HG2 VAL 68 3.625 1.345 4.740 514 HG23 VAL 68 3HG2 VAL 68 3.345 0.675 3.115 515 H SER 69 H SER 69 3.522 -4.209 5.490 516 HA SER 69 HA SER 69 6.081 -4.381 6.841 517 HB2 SER 69 1HB SER 69 3.615 -5.994 7.634 518 HB3 SER 69 2HB SER 69 5.222 -6.210 8.299 519 HG SER 69 HG SER 69 4.139 -3.581 8.399 520 H ALA 70 H ALA 70 7.154 -6.525 6.492 521 HA ALA 70 HA ALA 70 6.998 -7.351 3.858 522 HB1 ALA 70 1HB ALA 70 8.891 -7.613 5.554 523 HB2 ALA 70 2HB ALA 70 8.006 -9.022 6.186 524 HB3 ALA 70 3HB ALA 70 8.587 -9.017 4.503 525 H ASP 71 H ASP 71 5.104 -8.256 6.696 526 HA ASP 71 HA ASP 71 4.206 -10.695 5.581 527 HB2 ASP 71 1HB ASP 71 4.269 -9.835 8.088 528 HB3 ASP 71 2HB ASP 71 2.719 -9.114 7.701 529 H GLY 72 H GLY 72 3.666 -7.431 4.852 530 HA2 GLY 72 1HA GLY 72 2.093 -7.253 2.902 531 HA3 GLY 72 2HA GLY 72 0.878 -7.900 3.986 532 H LEU 73 H LEU 73 -0.394 -5.937 3.731 533 HA LEU 73 HA LEU 73 0.798 -3.621 5.086 534 HB2 LEU 73 1HB LEU 73 -1.648 -3.391 3.403 535 HB3 LEU 73 2HB LEU 73 -0.393 -2.214 3.733 536 HG LEU 73 HG LEU 73 0.101 -4.655 2.020 537 HD11 LEU 73 1HD1 LEU 73 -0.663 -1.918 0.981 538 HD12 LEU 73 2HD1 LEU 73 -0.406 -3.415 0.053 539 HD13 LEU 73 3HD1 LEU 73 -1.807 -3.273 1.142 540 HD21 LEU 73 1HD2 LEU 73 2.196 -3.933 2.043 541 HD22 LEU 73 2HD2 LEU 73 1.663 -2.442 1.230 542 HD23 LEU 73 3HD2 LEU 73 1.738 -2.509 3.007 543 H ARG 74 H ARG 74 -1.108 -2.211 6.121 544 HA ARG 74 HA ARG 74 -3.191 -3.828 7.178 545 HB2 ARG 74 1HB ARG 74 -0.784 -3.059 8.831 546 HB3 ARG 74 2HB ARG 74 -2.352 -2.997 9.611 547 HG2 ARG 74 1HG ARG 74 -2.412 -5.449 8.242 548 HG3 ARG 74 2HG ARG 74 -0.755 -5.344 8.803 549 HD2 ARG 74 1HD ARG 74 -1.746 -4.709 11.123 550 HD3 ARG 74 2HD ARG 74 -3.293 -5.226 10.485 551 HE ARG 74 HE ARG 74 -2.602 -7.433 10.764 552 HH11 ARG 74 2HH2 ARG 74 0.255 -5.400 10.475 553 HH12 ARG 74 1HH2 ARG 74 1.365 -6.700 10.754 554 HH21 ARG 74 2HH1 ARG 74 -1.138 -9.148 11.133 555 HH22 ARG 74 1HH1 ARG 74 0.567 -8.846 11.131 556 H VAL 75 H VAL 75 -4.909 -2.424 6.987 557 HA VAL 75 HA VAL 75 -4.383 0.424 7.150 558 HB VAL 75 HB VAL 75 -6.870 -1.145 6.439 559 HG11 VAL 75 1HG1 VAL 75 -7.414 1.093 7.268 560 HG12 VAL 75 2HG1 VAL 75 -6.252 1.813 6.127 561 HG13 VAL 75 3HG1 VAL 75 -7.702 0.982 5.515 562 HG21 VAL 75 1HG2 VAL 75 -6.062 0.056 4.133 563 HG22 VAL 75 2HG2 VAL 75 -4.491 -0.296 4.893 564 HG23 VAL 75 3HG2 VAL 75 -5.650 -1.614 4.593 565 H VAL 76 H VAL 76 -4.041 0.919 9.322 566 HA VAL 76 HA VAL 76 -5.889 -0.118 11.282 567 HB VAL 76 HB VAL 76 -3.347 1.447 11.269 568 HG11 VAL 76 1HG1 VAL 76 -4.473 2.847 12.767 569 HG12 VAL 76 2HG1 VAL 76 -5.424 1.509 13.456 570 HG13 VAL 76 3HG1 VAL 76 -3.689 1.652 13.829 571 HG21 VAL 76 1HG2 VAL 76 -4.102 -0.785 13.143 572 HG22 VAL 76 2HG2 VAL 76 -3.664 -1.137 11.454 573 HG23 VAL 76 3HG2 VAL 76 -2.500 -0.319 12.524 574 H ASP 77 H ASP 77 -7.178 1.287 12.693 575 HA ASP 77 HA ASP 77 -8.152 3.541 11.155 576 HB2 ASP 77 1HB ASP 77 -9.676 1.652 12.036 577 HB3 ASP 77 2HB ASP 77 -9.380 2.279 13.645 578 H GLU 78 H GLU 78 -6.987 5.399 11.760 579 HA GLU 78 HA GLU 78 -5.534 5.840 13.917 580 HB2 GLU 78 1HB GLU 78 -7.263 7.710 12.286 581 HB3 GLU 78 2HB GLU 78 -6.362 8.344 13.649 582 HG2 GLU 78 1HG GLU 78 -4.444 6.785 12.367 583 HG3 GLU 78 2HG GLU 78 -5.378 7.393 11.015 584 H LYS 79 H LYS 79 -9.076 5.771 13.789 585 HA LYS 79 HA LYS 79 -9.846 7.174 15.950 586 HB2 LYS 79 1HB LYS 79 -11.171 5.674 14.295 587 HB3 LYS 79 2HB LYS 79 -10.919 4.398 15.469 588 HG2 LYS 79 1HG LYS 79 -11.871 7.011 16.581 589 HG3 LYS 79 2HG LYS 79 -13.016 6.156 15.566 590 HD2 LYS 79 1HD LYS 79 -13.304 4.450 17.086 591 HD3 LYS 79 2HD LYS 79 -11.612 4.426 17.541 592 HE2 LYS 79 1HE LYS 79 -11.878 6.061 19.189 593 HE3 LYS 79 2HE LYS 79 -13.206 6.845 18.357 594 HZ1 LYS 79 1HZ LYS 79 -14.287 5.771 20.011 595 HZ2 LYS 79 2HZ LYS 79 -14.373 4.604 18.872 596 HZ3 LYS 79 3HZ LYS 79 -13.261 4.501 20.063 597 H THR 80 H THR 80 -9.328 3.603 16.290 598 HA THR 80 HA THR 80 -8.067 4.192 18.889 599 HB THR 80 HB THR 80 -10.476 3.214 18.865 600 HG1 THR 80 1HG THR 80 -9.562 1.490 20.441 601 HG21 THR 80 1HG2 THR 80 -8.831 0.869 17.803 602 HG22 THR 80 2HG2 THR 80 -10.337 0.630 18.721 603 HG23 THR 80 3HG2 THR 80 -10.370 1.495 17.165 604 H LYS 81 H LYS 81 -7.069 3.693 15.976 605 HA LYS 81 HA LYS 81 -5.275 2.754 15.094 606 HB2 LYS 81 1HB LYS 81 -4.751 2.270 18.002 607 HB3 LYS 81 2HB LYS 81 -3.744 1.448 16.827 608 HG2 LYS 81 1HG LYS 81 -4.253 4.460 16.817 609 HG3 LYS 81 2HG LYS 81 -2.857 3.711 17.565 610 HD2 LYS 81 1HD LYS 81 -2.542 2.570 15.183 611 HD3 LYS 81 2HD LYS 81 -3.566 3.878 14.626 612 HE2 LYS 81 1HE LYS 81 -1.338 4.699 16.443 613 HE3 LYS 81 2HE LYS 81 -0.834 4.067 14.888 614 HZ1 LYS 81 1HZ LYS 81 -2.824 5.695 14.204 615 HZ2 LYS 81 2HZ LYS 81 -2.211 6.496 15.488 616 HZ3 LYS 81 3HZ LYS 81 -1.250 6.129 14.220 617 H ASP 82 H ASP 82 -7.971 1.256 16.004 618 HA ASP 82 HA ASP 82 -7.455 -1.396 16.206 619 HB2 ASP 82 1HB ASP 82 -9.697 0.255 15.768 620 HB3 ASP 82 2HB ASP 82 -9.707 -0.825 14.388 621 H LEU 83 H LEU 83 -8.594 -2.809 14.061 622 HA LEU 83 HA LEU 83 -6.758 -2.169 11.859 623 HB2 LEU 83 1HB LEU 83 -6.350 -4.257 13.234 624 HB3 LEU 83 2HB LEU 83 -7.847 -4.888 12.576 625 HG LEU 83 HG LEU 83 -5.584 -5.538 11.487 626 HD11 LEU 83 1HD1 LEU 83 -7.624 -6.291 10.540 627 HD12 LEU 83 2HD1 LEU 83 -8.027 -4.668 9.930 628 HD13 LEU 83 3HD1 LEU 83 -6.677 -5.579 9.212 629 HD21 LEU 83 1HD2 LEU 83 -4.722 -3.238 11.288 630 HD22 LEU 83 2HD2 LEU 83 -4.793 -4.076 9.719 631 HD23 LEU 83 3HD2 LEU 83 -6.025 -2.861 10.135 632 H ILE 84 H ILE 84 -7.721 -1.437 10.048 633 HA ILE 84 HA ILE 84 -10.587 -1.772 9.810 634 HB ILE 84 HB ILE 84 -8.652 -0.249 8.064 635 HG12 ILE 84 1HG1 ILE 84 -10.337 0.803 10.354 636 HG13 ILE 84 2HG1 ILE 84 -8.620 0.470 10.463 637 HG21 ILE 84 1HG2 ILE 84 -11.474 0.586 8.285 638 HG22 ILE 84 2HG2 ILE 84 -10.399 0.503 6.869 639 HG23 ILE 84 3HG2 ILE 84 -11.202 -0.970 7.464 640 HD11 ILE 84 1HD1 ILE 84 -9.588 2.214 8.199 641 HD12 ILE 84 2HD1 ILE 84 -9.495 2.907 9.835 642 HD13 ILE 84 3HD1 ILE 84 -8.033 2.247 9.064 643 H VAL 85 H VAL 85 -7.560 -2.572 7.993 644 HA VAL 85 HA VAL 85 -8.978 -4.845 6.866 645 HB VAL 85 HB VAL 85 -7.656 -2.662 5.251 646 HG11 VAL 85 1HG1 VAL 85 -8.583 -5.405 4.333 647 HG12 VAL 85 2HG1 VAL 85 -8.048 -4.081 3.270 648 HG13 VAL 85 3HG1 VAL 85 -6.901 -4.828 4.408 649 HG21 VAL 85 1HG2 VAL 85 -9.809 -1.939 5.352 650 HG22 VAL 85 2HG2 VAL 85 -10.024 -3.128 4.045 651 HG23 VAL 85 3HG2 VAL 85 -10.454 -3.557 5.718 652 H ASP 86 H ASP 86 -7.455 -6.465 5.957 653 HA ASP 86 HA ASP 86 -4.774 -6.057 7.024 654 HB2 ASP 86 1HB ASP 86 -5.623 -7.627 8.548 655 HB3 ASP 86 2HB ASP 86 -6.701 -8.347 7.369 656 H GLN 87 H GLN 87 -3.801 -5.661 4.964 657 HA GLN 87 HA GLN 87 -4.438 -7.518 2.843 658 HB2 GLN 87 1HB GLN 87 -4.254 -4.909 2.628 659 HB3 GLN 87 2HB GLN 87 -2.522 -5.179 2.616 660 HG2 GLN 87 1HG GLN 87 -4.521 -6.458 0.690 661 HG3 GLN 87 2HG GLN 87 -3.464 -5.114 0.307 662 HE21 GLN 87 1HE2 GLN 87 -3.753 -7.962 -0.655 663 HE22 GLN 87 2HE2 GLN 87 -2.156 -8.630 -0.619 664 H THR 88 H THR 88 -2.935 -8.965 1.927 665 HA THR 88 HA THR 88 -0.451 -9.255 3.477 666 HB THR 88 HB THR 88 -1.771 -11.224 3.756 667 HG1 THR 88 1HG THR 88 -0.501 -12.701 2.448 668 HG21 THR 88 1HG2 THR 88 -2.588 -12.400 1.528 669 HG22 THR 88 2HG2 THR 88 -3.584 -11.099 2.224 670 HG23 THR 88 3HG2 THR 88 -2.512 -10.758 0.845 671 H ILE 89 H ILE 89 1.526 -9.255 2.505 672 HA ILE 89 HA ILE 89 1.791 -7.933 0.091 673 HB ILE 89 HB ILE 89 3.423 -8.490 2.101 674 HG12 ILE 89 1HG1 ILE 89 5.295 -7.713 0.668 675 HG13 ILE 89 2HG1 ILE 89 4.308 -7.980 -0.754 676 HG21 ILE 89 1HG2 ILE 89 4.816 -10.260 1.898 677 HG22 ILE 89 2HG2 ILE 89 3.423 -10.954 1.033 678 HG23 ILE 89 3HG2 ILE 89 4.773 -10.239 0.119 679 HD11 ILE 89 1HD1 ILE 89 2.796 -6.241 -0.201 680 HD12 ILE 89 2HD1 ILE 89 3.280 -6.243 1.512 681 HD13 ILE 89 3HD1 ILE 89 4.377 -5.579 0.278 682 H GLU 90 H GLU 90 0.928 -11.228 0.765 683 HA GLU 90 HA GLU 90 2.002 -12.403 -1.520 684 HB2 GLU 90 1HB GLU 90 -0.101 -13.100 0.501 685 HB3 GLU 90 2HB GLU 90 -0.140 -13.987 -1.010 686 HG2 GLU 90 1HG GLU 90 2.236 -13.752 0.893 687 HG3 GLU 90 2HG GLU 90 1.267 -15.185 0.611 688 H LYS 91 H LYS 91 -1.487 -11.599 -0.838 689 HA LYS 91 HA LYS 91 -2.499 -11.974 -3.302 690 HB2 LYS 91 1HB LYS 91 -3.171 -10.232 -0.998 691 HB3 LYS 91 2HB LYS 91 -3.912 -9.787 -2.522 692 HG2 LYS 91 1HG LYS 91 -5.476 -11.367 -1.989 693 HG3 LYS 91 2HG LYS 91 -4.285 -12.516 -2.567 694 HD2 LYS 91 1HD LYS 91 -3.390 -12.784 -0.262 695 HD3 LYS 91 2HD LYS 91 -4.524 -11.588 0.334 696 HE2 LYS 91 1HE LYS 91 -6.114 -13.185 0.577 697 HE3 LYS 91 2HE LYS 91 -6.044 -13.541 -1.137 698 HZ1 LYS 91 1HZ LYS 91 -3.885 -14.596 0.444 699 HZ2 LYS 91 2HZ LYS 91 -5.351 -15.260 0.721 700 HZ3 LYS 91 3HZ LYS 91 -4.714 -15.286 -0.782 701 H VAL 92 H VAL 92 -1.032 -8.870 -2.111 702 HA VAL 92 HA VAL 92 -1.299 -7.354 -4.322 703 HB VAL 92 HB VAL 92 1.120 -7.596 -2.522 704 HG11 VAL 92 1HG1 VAL 92 1.045 -6.187 -4.844 705 HG12 VAL 92 2HG1 VAL 92 0.400 -4.978 -3.709 706 HG13 VAL 92 3HG1 VAL 92 1.996 -5.710 -3.416 707 HG21 VAL 92 1HG2 VAL 92 -1.475 -6.056 -2.288 708 HG22 VAL 92 2HG2 VAL 92 -0.758 -7.207 -1.136 709 HG23 VAL 92 3HG2 VAL 92 -0.011 -5.610 -1.379 710 H SER 93 H SER 93 -0.562 -7.315 -6.404 711 HA SER 93 HA SER 93 1.496 -9.290 -7.021 712 HB2 SER 93 1HB SER 93 -0.768 -8.355 -8.839 713 HB3 SER 93 2HB SER 93 0.427 -9.575 -9.230 714 HG SER 93 HG SER 93 -1.088 -10.901 -8.459 715 H PHE 94 H PHE 94 0.022 -6.087 -7.789 716 HA PHE 94 HA PHE 94 2.661 -5.200 -8.648 717 HB2 PHE 94 1HB PHE 94 1.151 -5.903 -10.624 718 HB3 PHE 94 2HB PHE 94 -0.004 -4.692 -10.102 719 HD1 PHE 94 2HD PHE 94 3.714 -4.627 -10.493 720 HD2 PHE 94 1HD PHE 94 -0.022 -2.950 -11.606 721 HE1 PHE 94 2HE PHE 94 4.901 -2.900 -11.876 722 HE2 PHE 94 1HE PHE 94 1.165 -1.223 -12.989 723 HZ PHE 94 HZ PHE 94 3.612 -1.219 -13.107 724 H CYS 95 H CYS 95 2.903 -2.825 -8.587 725 HA CYS 95 HA CYS 95 0.762 -1.339 -7.392 726 HB2 CYS 95 1HB CYS 95 2.376 -0.582 -5.492 727 HB3 CYS 95 2HB CYS 95 1.456 -2.062 -5.305 728 HG CYS 95 HG CYS 95 4.546 -1.506 -5.315 729 H ALA 96 H ALA 96 0.847 0.604 -8.468 730 HA ALA 96 HA ALA 96 3.507 1.599 -9.213 731 HB1 ALA 96 1HB ALA 96 1.133 2.070 -10.995 732 HB2 ALA 96 2HB ALA 96 2.863 1.974 -11.405 733 HB3 ALA 96 3HB ALA 96 1.947 0.488 -11.059 734 HA PRO 97 HA PRO 97 2.076 5.285 -7.463 735 HB2 PRO 97 1HB PRO 97 3.596 7.158 -8.747 736 HB3 PRO 97 2HB PRO 97 4.195 6.184 -7.419 737 HG2 PRO 97 1HG PRO 97 4.771 5.934 -10.307 738 HG3 PRO 97 2HG PRO 97 5.660 5.273 -8.949 739 HD2 PRO 97 1HD PRO 97 3.888 3.848 -10.698 740 HD3 PRO 97 2HD PRO 97 4.686 3.215 -9.271 741 H ASP 98 H ASP 98 1.808 7.872 -8.451 742 HA ASP 98 HA ASP 98 -0.170 7.398 -10.534 743 HB2 ASP 98 1HB ASP 98 -1.542 9.237 -9.422 744 HB3 ASP 98 2HB ASP 98 -1.467 7.727 -8.536 745 H ARG 99 H ARG 99 -0.900 9.903 -11.260 746 HA ARG 99 HA ARG 99 1.405 11.614 -11.193 747 HB2 ARG 99 1HB ARG 99 0.237 10.459 -13.769 748 HB3 ARG 99 2HB ARG 99 1.235 11.899 -13.757 749 HG2 ARG 99 1HG ARG 99 2.799 10.205 -12.254 750 HG3 ARG 99 2HG ARG 99 2.011 9.049 -13.309 751 HD2 ARG 99 1HD ARG 99 3.468 9.612 -14.956 752 HD3 ARG 99 2HD ARG 99 2.757 11.214 -15.001 753 HE ARG 99 HE ARG 99 4.545 11.179 -12.800 754 HH11 ARG 99 2HH2 ARG 99 4.695 10.892 -16.304 755 HH12 ARG 99 1HH2 ARG 99 6.297 11.541 -16.417 756 HH21 ARG 99 2HH1 ARG 99 6.658 12.036 -12.949 757 HH22 ARG 99 1HH1 ARG 99 7.421 12.196 -14.495 758 H ASN 100 H ASN 100 -1.917 10.953 -12.474 759 HA ASN 100 HA ASN 100 -2.617 13.487 -13.144 760 HB2 ASN 100 1HB ASN 100 -4.366 11.348 -11.815 761 HB3 ASN 100 2HB ASN 100 -4.984 12.732 -12.695 762 HD21 ASN 100 1HD2 ASN 100 -4.350 9.550 -12.903 763 HD22 ASN 100 2HD2 ASN 100 -4.112 9.346 -14.607 764 H PHE 101 H PHE 101 -2.782 11.772 -9.954 765 HA PHE 101 HA PHE 101 -3.718 14.210 -8.678 766 HB2 PHE 101 1HB PHE 101 -2.987 11.561 -7.347 767 HB3 PHE 101 2HB PHE 101 -4.230 12.696 -6.861 768 HD1 PHE 101 2HD PHE 101 -3.376 10.044 -9.264 769 HD2 PHE 101 1HD PHE 101 -6.434 12.595 -7.797 770 HE1 PHE 101 2HE PHE 101 -5.098 8.677 -10.476 771 HE2 PHE 101 1HE PHE 101 -8.155 11.228 -9.009 772 HZ PHE 101 HZ PHE 101 -7.467 9.286 -10.334 773 H ASP 102 H ASP 102 -2.640 14.251 -6.219 774 HA ASP 102 HA ASP 102 0.176 14.621 -6.821 775 HB2 ASP 102 1HB ASP 102 -1.102 16.603 -6.017 776 HB3 ASP 102 2HB ASP 102 -1.571 15.728 -4.573 777 H ARG 103 H ARG 103 -2.219 13.001 -4.734 778 HA ARG 103 HA ARG 103 -0.084 11.377 -3.689 779 HB2 ARG 103 1HB ARG 103 -1.073 11.528 -1.354 780 HB3 ARG 103 2HB ARG 103 -0.333 13.018 -1.906 781 HG2 ARG 103 1HG ARG 103 -2.866 13.442 -2.815 782 HG3 ARG 103 2HG ARG 103 -3.235 12.382 -1.468 783 HD2 ARG 103 1HD ARG 103 -3.243 14.430 -0.357 784 HD3 ARG 103 2HD ARG 103 -1.559 13.996 -0.143 785 HE ARG 103 HE ARG 103 -1.706 15.367 -2.609 786 HH11 ARG 103 2HH2 ARG 103 -2.317 16.061 0.786 787 HH12 ARG 103 1HH2 ARG 103 -1.947 17.747 0.640 788 HH21 ARG 103 2HH1 ARG 103 -1.218 17.591 -2.802 789 HH22 ARG 103 1HH1 ARG 103 -1.317 18.623 -1.415 790 H ALA 104 H ALA 104 -1.176 9.932 -5.323 791 HA ALA 104 HA ALA 104 -3.486 8.627 -4.084 792 HB1 ALA 104 1HB ALA 104 -4.317 8.306 -6.507 793 HB2 ALA 104 2HB ALA 104 -4.523 9.918 -5.781 794 HB3 ALA 104 3HB ALA 104 -3.199 9.624 -6.933 795 H PHE 105 H PHE 105 -2.513 6.756 -3.403 796 HA PHE 105 HA PHE 105 -0.820 5.398 -5.379 797 HB2 PHE 105 1HB PHE 105 0.455 5.860 -3.383 798 HB3 PHE 105 2HB PHE 105 -0.933 5.623 -2.340 799 HD1 PHE 105 1HD PHE 105 1.389 3.767 -4.577 800 HD2 PHE 105 2HD PHE 105 -1.238 3.585 -1.249 801 HE1 PHE 105 1HE PHE 105 2.140 1.418 -4.112 802 HE2 PHE 105 2HE PHE 105 -0.487 1.235 -0.785 803 HZ PHE 105 HZ PHE 105 1.193 0.180 -2.222 804 H SER 106 H SER 106 -1.532 3.480 -6.201 805 HA SER 106 HA SER 106 -3.458 2.012 -4.607 806 HB2 SER 106 1HB SER 106 -4.615 1.529 -6.938 807 HB3 SER 106 2HB SER 106 -5.023 2.974 -6.034 808 HG SER 106 HG SER 106 -3.314 4.084 -7.344 809 H TYR 107 H TYR 107 -3.368 -0.290 -4.942 810 HA TYR 107 HA TYR 107 -1.334 -1.194 -6.851 811 HB2 TYR 107 1HB TYR 107 -0.469 -2.652 -5.005 812 HB3 TYR 107 2HB TYR 107 -0.417 -0.978 -4.491 813 HD1 TYR 107 1HD TYR 107 -2.724 -3.937 -4.377 814 HD2 TYR 107 2HD TYR 107 -1.276 -0.431 -2.400 815 HE1 TYR 107 1HE TYR 107 -4.102 -4.519 -2.321 816 HE2 TYR 107 2HE TYR 107 -2.658 -1.025 -0.350 817 HH TYR 107 HH TYR 107 -5.115 -2.813 -0.292 818 H ILE 108 H ILE 108 -1.617 -3.376 -7.603 819 HA ILE 108 HA ILE 108 -4.386 -4.242 -7.333 820 HB ILE 108 HB ILE 108 -2.220 -5.045 -9.279 821 HG12 ILE 108 1HG1 ILE 108 -4.554 -3.131 -9.546 822 HG13 ILE 108 2HG1 ILE 108 -2.850 -2.729 -9.599 823 HG21 ILE 108 1HG2 ILE 108 -5.140 -5.597 -9.679 824 HG22 ILE 108 2HG2 ILE 108 -3.716 -6.416 -10.364 825 HG23 ILE 108 3HG2 ILE 108 -4.165 -6.688 -8.664 826 HD11 ILE 108 1HD1 ILE 108 -4.158 -3.029 -11.857 827 HD12 ILE 108 2HD1 ILE 108 -2.531 -3.736 -11.710 828 HD13 ILE 108 3HD1 ILE 108 -3.970 -4.770 -11.539 829 H CYS 109 H CYS 109 -4.968 -6.357 -6.675 830 HA CYS 109 HA CYS 109 -2.876 -8.144 -5.862 831 HB2 CYS 109 1HB CYS 109 -3.280 -8.204 -3.549 832 HB3 CYS 109 2HB CYS 109 -3.177 -6.497 -3.929 833 HG CYS 109 HG CYS 109 -5.141 -7.338 -2.147 834 H ARG 110 H ARG 110 -3.786 -10.309 -5.417 835 HA ARG 110 HA ARG 110 -6.324 -10.586 -6.743 836 HB2 ARG 110 1HB ARG 110 -4.479 -12.047 -7.479 837 HB3 ARG 110 2HB ARG 110 -4.229 -12.626 -5.844 838 HG2 ARG 110 1HG ARG 110 -5.629 -14.334 -6.407 839 HG3 ARG 110 2HG ARG 110 -6.925 -13.171 -6.215 840 HD2 ARG 110 1HD ARG 110 -7.416 -13.333 -8.425 841 HD3 ARG 110 2HD ARG 110 -5.812 -12.762 -8.837 842 HE ARG 110 HE ARG 110 -5.243 -14.949 -9.403 843 HH11 ARG 110 2HH2 ARG 110 -7.925 -15.049 -7.127 844 HH12 ARG 110 1HH2 ARG 110 -8.097 -16.770 -7.207 845 HH21 ARG 110 2HH1 ARG 110 -5.470 -17.221 -9.510 846 HH22 ARG 110 1HH1 ARG 110 -6.691 -18.014 -8.572 847 H ASP 111 H ASP 111 -7.889 -9.997 -5.161 848 HA ASP 111 HA ASP 111 -7.857 -10.408 -2.541 849 HB2 ASP 111 1HB ASP 111 -9.689 -9.335 -3.940 850 HB3 ASP 111 2HB ASP 111 -10.286 -10.939 -4.315 851 H GLY 112 H GLY 112 -8.705 -12.127 -1.088 852 HA2 GLY 112 1HA GLY 112 -8.596 -14.808 -2.332 853 HA3 GLY 112 2HA GLY 112 -8.061 -14.421 -0.709 854 H THR 113 H THR 113 -10.189 -12.733 0.177 855 HA THR 113 HA THR 113 -12.083 -14.693 0.922 856 HB THR 113 HB THR 113 -11.317 -12.666 2.262 857 HG1 THR 113 1HG THR 113 -13.346 -12.844 3.176 858 HG21 THR 113 1HG2 THR 113 -12.439 -10.519 1.824 859 HG22 THR 113 2HG2 THR 113 -11.513 -10.974 0.374 860 HG23 THR 113 3HG2 THR 113 -13.277 -11.209 0.413 861 H THR 114 H THR 114 -12.157 -11.977 -1.451 862 HA THR 114 HA THR 114 -14.860 -12.665 -2.201 863 HB THR 114 HB THR 114 -12.802 -10.663 -3.274 864 HG1 THR 114 1HG THR 114 -15.234 -10.479 -1.641 865 HG21 THR 114 1HG2 THR 114 -14.483 -9.732 -4.611 866 HG22 THR 114 2HG2 THR 114 -14.953 -11.445 -4.720 867 HG23 THR 114 3HG2 THR 114 -15.789 -10.363 -3.579 868 H ARG 115 H ARG 115 -11.601 -13.565 -3.112 869 HA ARG 115 HA ARG 115 -10.875 -15.034 -4.524 870 HB2 ARG 115 1HB ARG 115 -13.801 -15.645 -5.184 871 HB3 ARG 115 2HB ARG 115 -12.438 -16.641 -5.655 872 HG2 ARG 115 1HG ARG 115 -12.493 -17.697 -3.652 873 HG3 ARG 115 2HG ARG 115 -12.207 -16.179 -2.826 874 HD2 ARG 115 1HD ARG 115 -14.302 -16.369 -1.960 875 HD3 ARG 115 2HD ARG 115 -14.916 -16.011 -3.562 876 HE ARG 115 HE ARG 115 -14.218 -18.816 -3.330 877 HH11 ARG 115 2HH2 ARG 115 -16.698 -16.470 -2.474 878 HH12 ARG 115 1HH2 ARG 115 -17.965 -17.647 -2.394 879 HH21 ARG 115 2HH1 ARG 115 -15.890 -20.370 -3.225 880 HH22 ARG 115 1HH1 ARG 115 -17.503 -19.881 -2.824 881 H ARG 116 H ARG 116 -10.623 -12.559 -5.449 882 HA ARG 116 HA ARG 116 -10.809 -12.876 -8.221 883 HB2 ARG 116 1HB ARG 116 -12.275 -10.883 -8.690 884 HB3 ARG 116 2HB ARG 116 -13.149 -12.194 -7.924 885 HG2 ARG 116 1HG ARG 116 -13.661 -10.908 -6.122 886 HG3 ARG 116 2HG ARG 116 -11.984 -10.461 -5.885 887 HD2 ARG 116 1HD ARG 116 -13.534 -8.502 -6.371 888 HD3 ARG 116 2HD ARG 116 -12.153 -8.612 -7.443 889 HE ARG 116 HE ARG 116 -13.583 -9.242 -9.231 890 HH11 ARG 116 2HH2 ARG 116 -15.361 -9.066 -6.199 891 HH12 ARG 116 1HH2 ARG 116 -16.916 -9.128 -6.960 892 HH21 ARG 116 2HH1 ARG 116 -15.634 -9.323 -10.235 893 HH22 ARG 116 1HH1 ARG 116 -17.072 -9.275 -9.271 894 H TRP 117 H TRP 117 -10.330 -10.397 -9.219 895 HA TRP 117 HA TRP 117 -7.941 -9.607 -7.781 896 HB2 TRP 117 1HB TRP 117 -8.885 -8.447 -10.385 897 HB3 TRP 117 2HB TRP 117 -7.254 -8.571 -9.755 898 HD1 TRP 117 HD TRP 117 -9.972 -10.811 -11.374 899 HE1 TRP 117 1HE TRP 117 -8.898 -12.969 -12.449 900 HE3 TRP 117 3HE TRP 117 -5.274 -9.993 -9.608 901 HZ2 TRP 117 2HZ TRP 117 -6.263 -14.066 -12.441 902 HZ3 TRP 117 3HZ TRP 117 -3.510 -11.656 -10.188 903 HH2 TRP 117 HH TRP 117 -3.943 -13.637 -11.552 904 H ILE 118 H ILE 118 -7.859 -7.819 -6.473 905 HA ILE 118 HA ILE 118 -9.945 -5.799 -6.847 906 HB ILE 118 HB ILE 118 -9.175 -7.170 -4.276 907 HG12 ILE 118 1HG1 ILE 118 -10.916 -8.222 -5.743 908 HG13 ILE 118 2HG1 ILE 118 -11.458 -7.807 -4.129 909 HG21 ILE 118 1HG2 ILE 118 -10.297 -4.454 -4.750 910 HG22 ILE 118 2HG2 ILE 118 -11.017 -5.427 -3.445 911 HG23 ILE 118 3HG2 ILE 118 -9.274 -5.066 -3.428 912 HD11 ILE 118 1HD1 ILE 118 -13.208 -6.851 -5.276 913 HD12 ILE 118 2HD1 ILE 118 -12.080 -5.481 -5.415 914 HD13 ILE 118 3HD1 ILE 118 -12.249 -6.634 -6.760 915 H CYS 119 H CYS 119 -9.171 -3.734 -6.879 916 HA CYS 119 HA CYS 119 -6.331 -3.466 -6.239 917 HB2 CYS 119 1HB CYS 119 -6.621 -2.898 -8.503 918 HB3 CYS 119 2HB CYS 119 -8.122 -2.043 -8.206 919 HG CYS 119 HG CYS 119 -7.113 -0.099 -6.801 920 H HIS 120 H HIS 120 -5.728 -2.056 -4.586 921 HA HIS 120 HA HIS 120 -7.938 -0.612 -3.321 922 HB2 HIS 120 1HB HIS 120 -5.422 -1.847 -2.191 923 HB3 HIS 120 2HB HIS 120 -6.367 -0.673 -1.297 924 HD1 HIS 120 1HD HIS 120 -8.125 -1.653 0.179 925 HD2 HIS 120 2HD HIS 120 -7.182 -4.178 -3.036 926 HE1 HIS 120 1HE HIS 120 -9.486 -3.784 0.520 927 H CYS 121 H CYS 121 -7.806 1.600 -3.061 928 HA CYS 121 HA CYS 121 -5.337 2.806 -4.077 929 HB2 CYS 121 1HB CYS 121 -8.052 4.141 -4.092 930 HB3 CYS 121 2HB CYS 121 -6.602 4.621 -4.951 931 HG CYS 121 HG CYS 121 -8.840 3.294 -6.213 932 H PHE 122 H PHE 122 -4.549 4.701 -2.908 933 HA PHE 122 HA PHE 122 -5.890 5.268 -0.389 934 HB2 PHE 122 1HB PHE 122 -2.916 4.561 -0.745 935 HB3 PHE 122 2HB PHE 122 -3.675 4.980 0.778 936 HD1 PHE 122 2HD PHE 122 -3.770 2.444 -1.939 937 HD2 PHE 122 1HD PHE 122 -4.590 3.313 2.133 938 HE1 PHE 122 2HE PHE 122 -4.276 0.021 -1.524 939 HE2 PHE 122 1HE PHE 122 -5.096 0.889 2.548 940 HZ PHE 122 HZ PHE 122 -4.933 -0.728 0.715 941 H MET 123 H MET 123 -6.000 7.444 -0.090 942 HA MET 123 HA MET 123 -4.337 9.062 -1.808 943 HB2 MET 123 1HB MET 123 -6.971 9.272 -0.459 944 HB3 MET 123 2HB MET 123 -6.029 10.739 -0.282 945 HG2 MET 123 1HG MET 123 -6.070 9.534 -3.029 946 HG3 MET 123 2HG MET 123 -7.586 10.210 -2.466 947 HE1 MET 123 1HE MET 123 -5.748 12.663 -4.916 948 HE2 MET 123 2HE MET 123 -4.470 11.486 -4.530 949 HE3 MET 123 3HE MET 123 -6.132 10.927 -4.835 950 H ALA 124 H ALA 124 -2.276 9.086 -0.829 951 HA ALA 124 HA ALA 124 -1.625 9.130 1.777 952 HB1 ALA 124 1HB ALA 124 0.419 9.448 0.893 953 HB2 ALA 124 2HB ALA 124 -0.372 9.643 -0.689 954 HB3 ALA 124 3HB ALA 124 -0.021 11.072 0.312 955 H VAL 125 H VAL 125 -1.266 10.729 3.415 956 HA VAL 125 HA VAL 125 -3.187 12.864 3.281 957 HB VAL 125 HB VAL 125 -1.279 11.868 5.400 958 HG11 VAL 125 1HG1 VAL 125 -1.640 13.675 6.662 959 HG12 VAL 125 2HG1 VAL 125 -2.356 14.453 5.231 960 HG13 VAL 125 3HG1 VAL 125 -3.397 13.590 6.389 961 HG21 VAL 125 1HG2 VAL 125 -3.007 10.658 6.262 962 HG22 VAL 125 2HG2 VAL 125 -4.240 11.827 5.730 963 HG23 VAL 125 3HG2 VAL 125 -3.538 10.680 4.563 964 H LYS 126 H LYS 126 0.340 12.751 4.172 965 HA LYS 126 HA LYS 126 0.631 15.257 2.674 966 HB2 LYS 126 1HB LYS 126 2.219 16.006 4.458 967 HB3 LYS 126 2HB LYS 126 0.540 15.936 4.953 968 HG2 LYS 126 1HG LYS 126 1.103 13.512 5.790 969 HG3 LYS 126 2HG LYS 126 2.780 14.001 5.644 970 HD2 LYS 126 1HD LYS 126 2.095 16.088 7.068 971 HD3 LYS 126 2HD LYS 126 0.633 15.194 7.439 972 HE2 LYS 126 1HE LYS 126 2.209 14.719 9.211 973 HE3 LYS 126 2HE LYS 126 2.091 13.266 8.239 974 HZ1 LYS 126 1HZ LYS 126 4.378 14.119 8.823 975 HZ2 LYS 126 2HZ LYS 126 4.128 13.690 7.267 976 HZ3 LYS 126 3HZ LYS 126 4.148 15.268 7.685 977 H ASP 127 H ASP 127 1.030 12.740 1.526 978 HA ASP 127 HA ASP 127 3.902 12.863 1.207 979 HB2 ASP 127 1HB ASP 127 2.484 10.180 1.322 980 HB3 ASP 127 2HB ASP 127 4.206 10.494 1.407 981 H THR 128 H THR 128 4.462 11.316 -0.829 982 HA THR 128 HA THR 128 2.348 11.787 -2.820 983 HB THR 128 HB THR 128 4.534 13.012 -3.096 984 HG1 THR 128 1HG THR 128 4.709 12.204 -5.316 985 HG21 THR 128 1HG2 THR 128 6.538 11.737 -3.733 986 HG22 THR 128 2HG2 THR 128 6.024 11.193 -2.118 987 HG23 THR 128 3HG2 THR 128 5.660 10.200 -3.549 988 H GLY 129 H GLY 129 1.619 10.169 -4.165 989 HA2 GLY 129 1HA GLY 129 1.340 7.642 -3.267 990 HA3 GLY 129 2HA GLY 129 1.348 8.071 -4.966 991 H GLU 130 H GLU 130 4.197 9.034 -4.918 992 HA GLU 130 HA GLU 130 5.405 6.732 -5.729 993 HB2 GLU 130 1HB GLU 130 6.080 9.468 -5.506 994 HB3 GLU 130 2HB GLU 130 7.341 8.630 -4.625 995 HG2 GLU 130 1HG GLU 130 8.138 8.668 -6.864 996 HG3 GLU 130 2HG GLU 130 7.513 7.043 -6.668 997 H ARG 131 H ARG 131 6.185 8.528 -2.655 998 HA ARG 131 HA ARG 131 7.826 6.823 -1.515 999 HB2 ARG 131 1HB ARG 131 5.952 8.835 -0.590 1000 HB3 ARG 131 2HB ARG 131 5.941 7.511 0.558 1001 HG2 ARG 131 1HG ARG 131 8.336 7.669 0.908 1002 HG3 ARG 131 2HG ARG 131 8.536 8.740 -0.464 1003 HD2 ARG 131 1HD ARG 131 8.539 10.314 1.254 1004 HD3 ARG 131 2HD ARG 131 6.825 10.291 0.891 1005 HE ARG 131 HE ARG 131 7.247 8.250 2.799 1006 HH11 ARG 131 2HH2 ARG 131 7.597 11.747 2.623 1007 HH12 ARG 131 1HH2 ARG 131 7.319 11.989 4.315 1008 HH21 ARG 131 2HH1 ARG 131 6.879 8.568 5.032 1009 HH22 ARG 131 1HH1 ARG 131 6.908 10.168 5.695 1010 H LEU 132 H LEU 132 4.200 6.591 -1.296 1011 HA LEU 132 HA LEU 132 4.026 4.340 0.248 1012 HB2 LEU 132 1HB LEU 132 2.267 5.280 -2.019 1013 HB3 LEU 132 2HB LEU 132 1.836 3.995 -0.908 1014 HG LEU 132 HG LEU 132 2.302 5.834 0.930 1015 HD11 LEU 132 1HD1 LEU 132 2.373 7.355 -1.573 1016 HD12 LEU 132 2HD1 LEU 132 1.207 7.987 -0.385 1017 HD13 LEU 132 3HD1 LEU 132 2.919 7.797 0.063 1018 HD21 LEU 132 1HD2 LEU 132 0.045 5.999 1.190 1019 HD22 LEU 132 2HD2 LEU 132 -0.252 6.295 -0.540 1020 HD23 LEU 132 3HD2 LEU 132 0.101 4.647 0.033 1021 H SER 133 H SER 133 4.395 4.584 -3.345 1022 HA SER 133 HA SER 133 4.203 1.941 -3.920 1023 HB2 SER 133 1HB SER 133 4.693 2.709 -5.988 1024 HB3 SER 133 2HB SER 133 4.943 4.288 -5.271 1025 HG SER 133 HG SER 133 6.756 3.086 -6.588 1026 H HIS 134 H HIS 134 6.953 3.793 -2.559 1027 HA HIS 134 HA HIS 134 8.861 1.757 -2.903 1028 HB2 HIS 134 1HB HIS 134 9.421 4.128 -2.584 1029 HB3 HIS 134 2HB HIS 134 8.774 4.079 -0.956 1030 HD1 HIS 134 1HD HIS 134 10.179 2.825 0.875 1031 HD2 HIS 134 2HD HIS 134 11.979 2.979 -2.911 1032 HE1 HIS 134 1HE HIS 134 12.615 2.144 1.213 1033 H ALA 135 H ALA 135 6.899 2.819 -0.035 1034 HA ALA 135 HA ALA 135 7.801 0.937 1.744 1035 HB1 ALA 135 1HB ALA 135 6.419 2.757 2.465 1036 HB2 ALA 135 2HB ALA 135 5.096 2.272 1.378 1037 HB3 ALA 135 3HB ALA 135 5.500 1.268 2.791 1038 H VAL 136 H VAL 136 4.839 0.705 -0.361 1039 HA VAL 136 HA VAL 136 4.335 -1.964 0.281 1040 HB VAL 136 HB VAL 136 2.731 -0.353 -0.672 1041 HG11 VAL 136 1HG1 VAL 136 3.487 0.885 -2.394 1042 HG12 VAL 136 2HG1 VAL 136 4.692 -0.336 -2.870 1043 HG13 VAL 136 3HG1 VAL 136 3.001 -0.500 -3.402 1044 HG21 VAL 136 1HG2 VAL 136 2.159 -2.162 -2.696 1045 HG22 VAL 136 2HG2 VAL 136 3.137 -3.115 -1.554 1046 HG23 VAL 136 3HG2 VAL 136 1.659 -2.295 -0.993 1047 H GLY 137 H GLY 137 6.599 -0.411 -1.950 1048 HA2 GLY 137 1HA GLY 137 7.090 -2.828 -3.462 1049 HA3 GLY 137 2HA GLY 137 7.907 -1.285 -3.606 1050 H CYS 138 H CYS 138 7.937 -1.701 -0.347 1051 HA CYS 138 HA CYS 138 10.631 -2.719 -0.433 1052 HB2 CYS 138 1HB CYS 138 8.949 -1.417 1.716 1053 HB3 CYS 138 2HB CYS 138 10.486 -2.171 2.088 1054 HG CYS 138 HG CYS 138 10.206 0.643 1.520 1055 H ALA 139 H ALA 139 7.664 -3.347 1.597 1056 HA ALA 139 HA ALA 139 8.450 -5.697 2.718 1057 HB1 ALA 139 1HB ALA 139 6.454 -5.128 3.619 1058 HB2 ALA 139 2HB ALA 139 5.925 -4.293 2.138 1059 HB3 ALA 139 3HB ALA 139 5.739 -6.057 2.279 1060 H PHE 140 H PHE 140 6.945 -5.151 -0.519 1061 HA PHE 140 HA PHE 140 6.546 -7.775 -1.221 1062 HB2 PHE 140 1HB PHE 140 6.249 -5.285 -2.340 1063 HB3 PHE 140 2HB PHE 140 7.693 -5.780 -3.200 1064 HD1 PHE 140 2HD PHE 140 4.245 -6.950 -2.413 1065 HD2 PHE 140 1HD PHE 140 7.497 -7.045 -5.138 1066 HE1 PHE 140 2HE PHE 140 2.833 -8.221 -4.054 1067 HE2 PHE 140 1HE PHE 140 6.085 -8.316 -6.778 1068 HZ PHE 140 HZ PHE 140 3.770 -8.889 -6.217 1069 H ALA 141 H ALA 141 9.498 -5.718 -1.707 1070 HA ALA 141 HA ALA 141 10.964 -7.755 -2.981 1071 HB1 ALA 141 1HB ALA 141 11.595 -5.471 -3.305 1072 HB2 ALA 141 2HB ALA 141 11.705 -5.179 -1.552 1073 HB3 ALA 141 3HB ALA 141 12.906 -6.216 -2.360 1074 H ALA 142 H ALA 142 10.539 -6.727 0.437 1075 HA ALA 142 HA ALA 142 12.589 -8.339 1.479 1076 HB1 ALA 142 1HB ALA 142 11.352 -6.360 2.545 1077 HB2 ALA 142 2HB ALA 142 10.037 -7.507 2.896 1078 HB3 ALA 142 3HB ALA 142 11.653 -7.766 3.595 1079 H CYS 143 H CYS 143 9.005 -8.838 1.163 1080 HA CYS 143 HA CYS 143 8.995 -11.379 2.267 1081 HB2 CYS 143 1HB CYS 143 6.976 -9.991 1.913 1082 HB3 CYS 143 2HB CYS 143 7.111 -10.228 0.182 1083 HG CYS 143 HG CYS 143 5.805 -11.979 2.429 1084 H LEU 144 H LEU 144 9.268 -10.215 -1.161 1085 HA LEU 144 HA LEU 144 9.410 -12.755 -2.314 1086 HB2 LEU 144 1HB LEU 144 10.144 -9.977 -3.142 1087 HB3 LEU 144 2HB LEU 144 10.670 -11.326 -4.128 1088 HG LEU 144 HG LEU 144 7.777 -10.892 -3.357 1089 HD11 LEU 144 1HD1 LEU 144 7.434 -9.880 -5.554 1090 HD12 LEU 144 2HD1 LEU 144 8.569 -8.922 -4.573 1091 HD13 LEU 144 3HD1 LEU 144 9.182 -9.966 -5.878 1092 HD21 LEU 144 1HD2 LEU 144 8.207 -12.239 -5.859 1093 HD22 LEU 144 2HD2 LEU 144 9.131 -13.050 -4.571 1094 HD23 LEU 144 3HD2 LEU 144 7.376 -12.811 -4.392 1095 H GLU 145 H GLU 145 11.905 -10.556 -0.944 1096 HA GLU 145 HA GLU 145 14.154 -11.674 -1.822 1097 HB2 GLU 145 1HB GLU 145 13.355 -10.086 0.440 1098 HB3 GLU 145 2HB GLU 145 14.491 -11.290 1.015 1099 HG2 GLU 145 1HG GLU 145 15.236 -9.969 -1.561 1100 HG3 GLU 145 2HG GLU 145 15.227 -8.916 -0.160 1101 H ARG 146 H ARG 146 11.894 -13.032 0.598 1102 HA ARG 146 HA ARG 146 13.605 -15.033 1.487 1103 HB2 ARG 146 1HB ARG 146 10.694 -14.395 1.660 1104 HB3 ARG 146 2HB ARG 146 11.067 -16.098 1.832 1105 HG2 ARG 146 1HG ARG 146 11.846 -15.777 3.938 1106 HG3 ARG 146 2HG ARG 146 12.980 -14.562 3.384 1107 HD2 ARG 146 1HD ARG 146 10.558 -13.187 3.262 1108 HD3 ARG 146 2HD ARG 146 10.323 -14.214 4.662 1109 HE ARG 146 HE ARG 146 12.934 -13.015 4.796 1110 HH11 ARG 146 2HH2 ARG 146 9.529 -12.196 5.144 1111 HH12 ARG 146 1HH2 ARG 146 9.825 -10.881 6.231 1112 HH21 ARG 146 2HH1 ARG 146 13.325 -11.280 6.230 1113 HH22 ARG 146 1HH1 ARG 146 11.999 -10.356 6.853 1114 H LYS 147 H LYS 147 11.253 -14.781 -1.217 1115 HA LYS 147 HA LYS 147 11.660 -17.565 -1.914 1116 HB2 LYS 147 1HB LYS 147 10.003 -15.477 -3.352 1117 HB3 LYS 147 2HB LYS 147 9.917 -17.218 -3.533 1118 HG2 LYS 147 1HG LYS 147 8.276 -17.150 -1.956 1119 HG3 LYS 147 2HG LYS 147 9.564 -16.918 -0.791 1120 HD2 LYS 147 1HD LYS 147 8.012 -15.131 -0.399 1121 HD3 LYS 147 2HD LYS 147 9.373 -14.398 -1.224 1122 HE2 LYS 147 1HE LYS 147 8.197 -14.261 -3.306 1123 HE3 LYS 147 2HE LYS 147 6.986 -15.423 -2.802 1124 HZ1 LYS 147 1HZ LYS 147 6.295 -13.063 -2.723 1125 HZ2 LYS 147 2HZ LYS 147 6.081 -13.865 -1.316 1126 HZ3 LYS 147 3HZ LYS 147 7.330 -12.825 -1.483 1127 H GLN 148 H GLN 148 12.005 -14.335 -3.554 1128 HA GLN 148 HA GLN 148 13.970 -15.607 -5.270 1129 HB2 GLN 148 1HB GLN 148 13.663 -13.649 -6.745 1130 HB3 GLN 148 2HB GLN 148 12.126 -14.415 -6.396 1131 HG2 GLN 148 1HG GLN 148 11.358 -12.409 -5.672 1132 HG3 GLN 148 2HG GLN 148 12.456 -12.531 -4.312 1133 HE21 GLN 148 1HE2 GLN 148 11.560 -10.184 -5.735 1134 HE22 GLN 148 2HE2 GLN 148 12.957 -9.374 -6.362 1135 H LYS 149 H LYS 149 15.753 -13.807 -6.008 1136 HA LYS 149 HA LYS 149 16.765 -12.653 -3.502 1137 HB2 LYS 149 1HB LYS 149 19.006 -13.208 -4.208 1138 HB3 LYS 149 2HB LYS 149 18.022 -14.658 -4.196 1139 HG2 LYS 149 1HG LYS 149 18.616 -15.017 -6.354 1140 HG3 LYS 149 2HG LYS 149 17.692 -13.597 -6.802 1141 HD2 LYS 149 1HD LYS 149 19.620 -12.157 -6.640 1142 HD3 LYS 149 2HD LYS 149 20.551 -13.367 -5.780 1143 HE2 LYS 149 1HE LYS 149 20.515 -14.830 -7.822 1144 HE3 LYS 149 2HE LYS 149 19.608 -13.600 -8.679 1145 HZ1 LYS 149 1HZ LYS 149 22.293 -13.748 -8.512 1146 HZ2 LYS 149 2HZ LYS 149 21.446 -12.444 -9.009 1147 HZ3 LYS 149 3HZ LYS 149 21.940 -12.554 -7.456 1148 H ARG 150 H ARG 150 17.017 -10.483 -3.511 1149 HA ARG 150 HA ARG 150 16.907 -9.230 -6.130 1150 HB2 ARG 150 1HB ARG 150 15.470 -8.739 -3.724 1151 HB3 ARG 150 2HB ARG 150 16.588 -7.397 -3.859 1152 HG2 ARG 150 1HG ARG 150 15.720 -7.491 -6.442 1153 HG3 ARG 150 2HG ARG 150 14.305 -8.159 -5.652 1154 HD2 ARG 150 1HD ARG 150 14.413 -6.138 -4.040 1155 HD3 ARG 150 2HD ARG 150 15.608 -5.451 -5.122 1156 HE ARG 150 HE ARG 150 13.130 -6.328 -6.450 1157 HH11 ARG 150 2HH2 ARG 150 14.830 -3.664 -4.902 1158 HH12 ARG 150 1HH2 ARG 150 13.865 -2.440 -5.658 1159 HH21 ARG 150 2HH1 ARG 150 11.857 -4.714 -7.449 1160 HH22 ARG 150 1HH1 ARG 150 12.162 -3.042 -7.117 1161 H SER 151 H SER 151 18.070 -6.891 -6.026 1162 HA SER 151 HA SER 151 20.562 -7.236 -4.559 1163 HB2 SER 151 1HB SER 151 20.241 -7.350 -7.384 1164 HB3 SER 151 2HB SER 151 20.961 -5.786 -7.056 1165 HG SER 151 HG SER 151 22.559 -7.000 -5.686 1166 H GLY 152 H GLY 152 21.821 -5.029 -4.498 1167 HA2 GLY 152 1HA GLY 152 19.913 -2.776 -4.427 1168 HA3 GLY 152 2HA GLY 152 20.936 -3.143 -3.053 1169 HA PRO 153 HA PRO 153 23.622 -1.535 -6.645 1170 HB2 PRO 153 1HB PRO 153 22.370 -0.093 -8.600 1171 HB3 PRO 153 2HB PRO 153 22.782 -1.788 -8.774 1172 HG2 PRO 153 1HG PRO 153 20.136 -0.565 -8.282 1173 HG3 PRO 153 2HG PRO 153 20.510 -2.172 -8.873 1174 HD2 PRO 153 1HD PRO 153 19.669 -1.471 -6.221 1175 HD3 PRO 153 2HD PRO 153 20.155 -3.059 -6.782 1176 H SER 154 H SER 154 23.795 0.982 -7.815 1177 HA SER 154 HA SER 154 22.672 2.949 -6.273 1178 HB2 SER 154 1HB SER 154 25.092 1.693 -5.073 1179 HB3 SER 154 2HB SER 154 25.139 3.443 -5.152 1180 HG SER 154 HG SER 154 23.354 3.608 -3.832 1181 H SER 155 H SER 155 22.708 3.339 -8.719 1182 HA SER 155 HA SER 155 25.294 4.362 -9.564 1183 HB2 SER 155 1HB SER 155 23.709 2.650 -10.898 1184 HB3 SER 155 2HB SER 155 22.948 4.133 -11.440 1185 HG SER 155 HG SER 155 24.946 3.114 -12.634 1186 H GLY 156 H GLY 156 25.119 6.358 -8.309 1187 HA2 GLY 156 1HA GLY 156 24.638 8.539 -8.072 1188 HA3 GLY 156 2HA GLY 156 24.023 8.519 -9.713 Start of MODEL 16 1 H1 GLY 1 H GLY 1 23.283 -15.160 -1.800 2 HA2 GLY 1 1HA GLY 1 21.676 -14.516 0.548 3 HA3 GLY 1 2HA GLY 1 23.282 -13.819 0.480 4 H SER 2 H SER 2 22.606 -11.647 0.214 5 HA SER 2 HA SER 2 22.288 -10.796 -2.366 6 HB2 SER 2 1HB SER 2 19.840 -11.792 -1.419 7 HB3 SER 2 2HB SER 2 19.690 -10.061 -1.187 8 HG SER 2 HG SER 2 19.340 -9.891 -3.283 9 H SER 3 H SER 3 20.892 -10.030 0.913 10 HA SER 3 HA SER 3 21.068 -7.370 0.868 11 HB2 SER 3 1HB SER 3 20.672 -9.322 2.814 12 HB3 SER 3 2HB SER 3 22.101 -8.497 3.404 13 HG SER 3 HG SER 3 20.846 -6.895 4.040 14 H GLY 4 H GLY 4 22.679 -5.776 1.647 15 HA2 GLY 4 1HA GLY 4 25.461 -6.753 1.592 16 HA3 GLY 4 2HA GLY 4 24.957 -5.453 0.530 17 H SER 5 H SER 5 26.830 -4.452 1.929 18 HA SER 5 HA SER 5 25.602 -3.325 4.324 19 HB2 SER 5 1HB SER 5 28.018 -4.713 4.095 20 HB3 SER 5 2HB SER 5 28.532 -3.038 4.087 21 HG SER 5 HG SER 5 26.684 -3.195 6.016 22 H SER 6 H SER 6 25.526 -1.060 4.516 23 HA SER 6 HA SER 6 27.074 0.510 2.691 24 HB2 SER 6 1HB SER 6 24.499 -0.236 1.890 25 HB3 SER 6 2HB SER 6 24.246 1.353 2.585 26 HG SER 6 HG SER 6 25.984 2.153 1.185 27 H GLY 7 H GLY 7 24.105 0.715 4.802 28 HA2 GLY 7 1HA GLY 7 25.471 2.867 6.308 29 HA3 GLY 7 2HA GLY 7 23.756 2.862 5.947 30 H ALA 8 H ALA 8 24.508 3.090 8.592 31 HA ALA 8 HA ALA 8 23.831 0.427 9.636 32 HB1 ALA 8 1HB ALA 8 25.222 0.986 11.612 33 HB2 ALA 8 2HB ALA 8 26.184 0.957 10.115 34 HB3 ALA 8 3HB ALA 8 25.700 2.513 10.832 35 H SER 9 H SER 9 21.607 1.447 9.154 36 HA SER 9 HA SER 9 19.746 2.256 9.921 37 HB2 SER 9 1HB SER 9 21.290 1.785 12.404 38 HB3 SER 9 2HB SER 9 20.025 2.983 12.593 39 HG SER 9 HG SER 9 19.760 0.242 11.720 40 H ARG 10 H ARG 10 18.813 4.281 9.650 41 HA ARG 10 HA ARG 10 19.883 6.559 10.856 42 HB2 ARG 10 1HB ARG 10 20.613 7.777 8.802 43 HB3 ARG 10 2HB ARG 10 21.608 6.364 9.090 44 HG2 ARG 10 1HG ARG 10 21.159 5.999 6.851 45 HG3 ARG 10 2HG ARG 10 19.763 5.181 7.522 46 HD2 ARG 10 1HD ARG 10 18.285 6.907 6.935 47 HD3 ARG 10 2HD ARG 10 19.523 8.144 7.011 48 HE ARG 10 HE ARG 10 18.778 6.651 4.675 49 HH11 ARG 10 2HH2 ARG 10 21.631 7.923 6.295 50 HH12 ARG 10 1HH2 ARG 10 22.553 8.068 4.836 51 HH21 ARG 10 2HH1 ARG 10 19.993 6.843 2.749 52 HH22 ARG 10 1HH1 ARG 10 21.614 7.450 2.805 53 HA PRO 11 HA PRO 11 15.880 7.865 9.722 54 HB2 PRO 11 1HB PRO 11 16.052 10.584 9.939 55 HB3 PRO 11 2HB PRO 11 15.863 9.522 11.320 56 HG2 PRO 11 1HG PRO 11 18.279 10.957 10.402 57 HG3 PRO 11 2HG PRO 11 17.951 10.252 11.973 58 HD2 PRO 11 1HD PRO 11 19.633 9.163 9.922 59 HD3 PRO 11 2HD PRO 11 19.213 8.405 11.445 60 H HIS 12 H HIS 12 14.461 9.137 8.229 61 HA HIS 12 HA HIS 12 15.447 10.507 6.106 62 HB2 HIS 12 1HB HIS 12 16.295 7.830 5.897 63 HB3 HIS 12 2HB HIS 12 14.976 7.985 4.754 64 HD1 HIS 12 1HD HIS 12 17.459 7.522 3.329 65 HD2 HIS 12 2HD HIS 12 16.481 11.378 4.659 66 HE1 HIS 12 1HE HIS 12 18.838 9.138 1.915 67 H GLN 13 H GLN 13 13.777 9.328 3.990 68 HA GLN 13 HA GLN 13 11.184 9.543 5.308 69 HB2 GLN 13 1HB GLN 13 12.105 11.571 3.859 70 HB3 GLN 13 2HB GLN 13 11.610 10.579 2.501 71 HG2 GLN 13 1HG GLN 13 9.447 11.176 2.814 72 HG3 GLN 13 2HG GLN 13 9.476 10.521 4.439 73 HE21 GLN 13 1HE2 GLN 13 8.563 11.972 5.691 74 HE22 GLN 13 2HE2 GLN 13 8.968 13.652 5.805 75 H TRP 14 H TRP 14 13.139 8.291 2.561 76 HA TRP 14 HA TRP 14 10.959 6.488 1.847 77 HB2 TRP 14 1HB TRP 14 13.555 7.234 0.505 78 HB3 TRP 14 2HB TRP 14 12.555 5.902 -0.040 79 HD1 TRP 14 HD TRP 14 11.859 9.684 0.749 80 HE1 TRP 14 1HE TRP 14 10.284 10.727 -1.093 81 HE3 TRP 14 3HE TRP 14 11.316 5.412 -1.955 82 HZ2 TRP 14 2HZ TRP 14 9.016 9.672 -3.422 83 HZ3 TRP 14 3HZ TRP 14 9.892 5.504 -3.999 84 HH2 TRP 14 HH TRP 14 8.763 7.540 -4.744 85 H GLN 15 H GLN 15 14.574 6.264 2.258 86 HA GLN 15 HA GLN 15 14.768 3.622 2.574 87 HB2 GLN 15 1HB GLN 15 16.786 4.848 2.518 88 HB3 GLN 15 2HB GLN 15 16.294 5.919 3.814 89 HG2 GLN 15 1HG GLN 15 17.049 4.499 5.440 90 HG3 GLN 15 2HG GLN 15 16.358 3.089 4.661 91 HE21 GLN 15 1HE2 GLN 15 19.131 4.339 5.692 92 HE22 GLN 15 2HE2 GLN 15 20.280 3.657 4.590 93 H THR 16 H THR 16 13.967 6.025 5.159 94 HA THR 16 HA THR 16 13.959 4.403 7.351 95 HB THR 16 HB THR 16 13.574 6.858 7.362 96 HG1 THR 16 1HG THR 16 11.241 5.316 8.255 97 HG21 THR 16 1HG2 THR 16 10.679 6.350 6.617 98 HG22 THR 16 2HG2 THR 16 11.593 7.876 6.575 99 HG23 THR 16 3HG2 THR 16 11.864 6.642 5.321 100 H ASP 17 H ASP 17 11.523 4.560 4.733 101 HA ASP 17 HA ASP 17 9.646 3.008 6.091 102 HB2 ASP 17 1HB ASP 17 10.144 3.422 3.106 103 HB3 ASP 17 2HB ASP 17 8.723 2.622 3.750 104 H GLU 18 H GLU 18 12.495 2.347 4.025 105 HA GLU 18 HA GLU 18 11.922 -0.291 3.415 106 HB2 GLU 18 1HB GLU 18 13.673 1.105 2.306 107 HB3 GLU 18 2HB GLU 18 14.643 1.045 3.765 108 HG2 GLU 18 1HG GLU 18 15.157 -1.236 3.506 109 HG3 GLU 18 2HG GLU 18 13.714 -1.567 2.568 110 H GLU 19 H GLU 19 12.682 1.205 6.424 111 HA GLU 19 HA GLU 19 13.797 -1.241 7.491 112 HB2 GLU 19 1HB GLU 19 13.384 1.484 8.800 113 HB3 GLU 19 2HB GLU 19 14.208 0.124 9.538 114 HG2 GLU 19 1HG GLU 19 15.675 0.192 7.306 115 HG3 GLU 19 2HG GLU 19 15.095 1.843 7.213 116 H GLY 20 H GLY 20 11.190 1.156 8.347 117 HA2 GLY 20 1HA GLY 20 9.879 -0.096 10.322 118 HA3 GLY 20 2HA GLY 20 9.065 0.777 9.040 119 H VAL 21 H VAL 21 10.146 -1.206 6.957 120 HA VAL 21 HA VAL 21 7.924 -2.967 7.073 121 HB VAL 21 HB VAL 21 8.827 -2.034 5.003 122 HG11 VAL 21 1HG1 VAL 21 11.267 -2.251 5.857 123 HG12 VAL 21 2HG1 VAL 21 11.187 -3.902 5.198 124 HG13 VAL 21 3HG1 VAL 21 10.942 -2.503 4.126 125 HG21 VAL 21 1HG2 VAL 21 7.903 -4.601 5.418 126 HG22 VAL 21 2HG2 VAL 21 8.099 -3.810 3.835 127 HG23 VAL 21 3HG2 VAL 21 9.384 -4.868 4.466 128 H ARG 22 H ARG 22 11.515 -3.386 7.389 129 HA ARG 22 HA ARG 22 11.172 -6.117 8.045 130 HB2 ARG 22 1HB ARG 22 13.639 -6.072 8.420 131 HB3 ARG 22 2HB ARG 22 13.217 -5.315 6.897 132 HG2 ARG 22 1HG ARG 22 13.323 -3.062 7.996 133 HG3 ARG 22 2HG ARG 22 13.766 -3.826 9.509 134 HD2 ARG 22 1HD ARG 22 15.442 -4.574 7.139 135 HD3 ARG 22 2HD ARG 22 15.596 -2.916 7.686 136 HE ARG 22 HE ARG 22 16.516 -3.673 9.743 137 HH11 ARG 22 2HH2 ARG 22 15.440 -6.377 7.765 138 HH12 ARG 22 1HH2 ARG 22 16.264 -7.567 8.716 139 HH21 ARG 22 2HH1 ARG 22 17.604 -5.243 10.998 140 HH22 ARG 22 1HH1 ARG 22 17.504 -6.917 10.567 141 H THR 23 H THR 23 11.913 -3.045 9.796 142 HA THR 23 HA THR 23 12.268 -4.306 12.322 143 HB THR 23 HB THR 23 12.440 -2.003 13.097 144 HG1 THR 23 1HG THR 23 11.228 -1.431 10.485 145 HG21 THR 23 1HG2 THR 23 13.238 -1.635 10.197 146 HG22 THR 23 2HG2 THR 23 14.094 -1.114 11.668 147 HG23 THR 23 3HG2 THR 23 14.119 -2.827 11.183 148 H GLY 24 H GLY 24 9.579 -2.239 11.021 149 HA2 GLY 24 1HA GLY 24 7.351 -3.328 11.289 150 HA3 GLY 24 2HA GLY 24 7.811 -3.613 12.956 151 H LYS 25 H LYS 25 8.073 -0.781 10.678 152 HA LYS 25 HA LYS 25 6.195 0.734 12.161 153 HB2 LYS 25 1HB LYS 25 7.910 2.500 12.860 154 HB3 LYS 25 2HB LYS 25 7.783 1.056 13.844 155 HG2 LYS 25 1HG LYS 25 10.107 1.227 13.569 156 HG3 LYS 25 2HG LYS 25 9.689 0.108 12.287 157 HD2 LYS 25 1HD LYS 25 9.709 1.907 10.620 158 HD3 LYS 25 2HD LYS 25 9.904 3.124 11.865 159 HE2 LYS 25 1HE LYS 25 12.026 1.296 12.312 160 HE3 LYS 25 2HE LYS 25 11.943 1.462 10.569 161 HZ1 LYS 25 1HZ LYS 25 11.669 3.985 11.407 162 HZ2 LYS 25 2HZ LYS 25 12.699 3.390 12.525 163 HZ3 LYS 25 3HZ LYS 25 13.082 3.311 10.940 164 H CYS 26 H CYS 26 6.431 -0.120 9.477 165 HA CYS 26 HA CYS 26 7.368 2.273 8.100 166 HB2 CYS 26 1HB CYS 26 8.276 0.209 7.217 167 HB3 CYS 26 2HB CYS 26 6.678 -0.495 7.066 168 HG CYS 26 HG CYS 26 6.940 2.448 5.787 169 H SER 27 H SER 27 5.197 2.915 9.563 170 HA SER 27 HA SER 27 2.967 2.618 7.705 171 HB2 SER 27 1HB SER 27 1.453 2.841 9.582 172 HB3 SER 27 2HB SER 27 2.634 1.613 9.991 173 HG SER 27 HG SER 27 2.031 3.631 11.504 174 H PHE 28 H PHE 28 1.886 4.511 7.009 175 HA PHE 28 HA PHE 28 2.882 7.027 8.125 176 HB2 PHE 28 1HB PHE 28 2.495 7.599 5.456 177 HB3 PHE 28 2HB PHE 28 4.052 7.111 6.097 178 HD1 PHE 28 2HD PHE 28 4.549 4.561 6.101 179 HD2 PHE 28 1HD PHE 28 1.509 6.362 3.751 180 HE1 PHE 28 2HE PHE 28 4.557 2.573 4.569 181 HE2 PHE 28 1HE PHE 28 1.517 4.374 2.219 182 HZ PHE 28 HZ PHE 28 3.040 2.503 2.646 183 HA PRO 29 HA PRO 29 -1.258 8.273 7.880 184 HB2 PRO 29 1HB PRO 29 -1.105 10.953 7.368 185 HB3 PRO 29 2HB PRO 29 -0.838 10.265 8.957 186 HG2 PRO 29 1HG PRO 29 1.147 11.320 7.037 187 HG3 PRO 29 2HG PRO 29 1.328 11.030 8.756 188 HD2 PRO 29 1HD PRO 29 2.343 9.401 6.625 189 HD3 PRO 29 2HD PRO 29 2.423 9.052 8.340 190 H VAL 30 H VAL 30 -2.712 7.556 6.468 191 HA VAL 30 HA VAL 30 -2.685 8.904 3.892 192 HB VAL 30 HB VAL 30 -2.421 7.038 2.600 193 HG11 VAL 30 1HG1 VAL 30 -0.451 5.841 3.328 194 HG12 VAL 30 2HG1 VAL 30 -0.329 7.533 3.866 195 HG13 VAL 30 3HG1 VAL 30 -0.773 6.260 5.028 196 HG21 VAL 30 1HG2 VAL 30 -3.049 5.247 4.971 197 HG22 VAL 30 2HG2 VAL 30 -4.208 5.723 3.706 198 HG23 VAL 30 3HG2 VAL 30 -2.789 4.733 3.287 199 H LYS 31 H LYS 31 -4.742 8.045 2.601 200 HA LYS 31 HA LYS 31 -6.893 7.727 4.577 201 HB2 LYS 31 1HB LYS 31 -6.709 9.566 2.190 202 HB3 LYS 31 2HB LYS 31 -8.256 9.078 2.852 203 HG2 LYS 31 1HG LYS 31 -8.032 10.430 4.679 204 HG3 LYS 31 2HG LYS 31 -6.377 9.926 4.961 205 HD2 LYS 31 1HD LYS 31 -6.216 12.246 4.426 206 HD3 LYS 31 2HD LYS 31 -5.712 11.420 2.965 207 HE2 LYS 31 1HE LYS 31 -7.591 12.067 1.776 208 HE3 LYS 31 2HE LYS 31 -8.646 11.964 3.171 209 HZ1 LYS 31 1HZ LYS 31 -8.010 14.039 3.878 210 HZ2 LYS 31 2HZ LYS 31 -6.612 14.051 3.035 211 HZ3 LYS 31 3HZ LYS 31 -8.035 14.241 2.258 212 H TYR 32 H TYR 32 -8.640 6.362 3.986 213 HA TYR 32 HA TYR 32 -7.895 4.454 1.912 214 HB2 TYR 32 1HB TYR 32 -8.552 3.865 4.334 215 HB3 TYR 32 2HB TYR 32 -10.130 4.566 4.034 216 HD1 TYR 32 2HD TYR 32 -8.358 2.581 1.472 217 HD2 TYR 32 1HD TYR 32 -11.348 2.535 4.531 218 HE1 TYR 32 2HE TYR 32 -9.199 0.335 0.626 219 HE2 TYR 32 1HE TYR 32 -12.179 0.290 3.675 220 HH TYR 32 HH TYR 32 -11.880 -0.830 0.979 221 H LEU 33 H LEU 33 -8.668 4.778 -0.112 222 HA LEU 33 HA LEU 33 -10.972 6.444 -0.500 223 HB2 LEU 33 1HB LEU 33 -9.194 4.918 -2.406 224 HB3 LEU 33 2HB LEU 33 -10.523 5.946 -2.906 225 HG LEU 33 HG LEU 33 -8.152 6.921 -1.291 226 HD11 LEU 33 1HD1 LEU 33 -7.198 7.789 -3.308 227 HD12 LEU 33 2HD1 LEU 33 -7.509 6.053 -3.544 228 HD13 LEU 33 3HD1 LEU 33 -8.601 7.258 -4.267 229 HD21 LEU 33 1HD2 LEU 33 -9.206 9.076 -2.620 230 HD22 LEU 33 2HD2 LEU 33 -10.663 8.143 -2.199 231 HD23 LEU 33 3HD2 LEU 33 -9.528 8.646 -0.923 232 H GLY 34 H GLY 34 -10.106 2.957 -0.921 233 HA2 GLY 34 1HA GLY 34 -12.247 1.709 -0.046 234 HA3 GLY 34 2HA GLY 34 -12.897 2.345 -1.544 235 H HIS 35 H HIS 35 -13.153 0.251 -2.497 236 HA HIS 35 HA HIS 35 -10.646 -0.791 -3.523 237 HB2 HIS 35 1HB HIS 35 -11.662 -3.150 -3.086 238 HB3 HIS 35 2HB HIS 35 -10.775 -2.323 -1.821 239 HD1 HIS 35 1HD HIS 35 -12.009 -3.501 0.112 240 HD2 HIS 35 2HD HIS 35 -14.554 -1.413 -2.488 241 HE1 HIS 35 1HE HIS 35 -14.289 -3.424 1.253 242 H VAL 36 H VAL 36 -10.810 -0.998 -5.700 243 HA VAL 36 HA VAL 36 -13.506 -1.443 -6.778 244 HB VAL 36 HB VAL 36 -13.069 0.076 -8.543 245 HG11 VAL 36 1HG1 VAL 36 -12.620 2.224 -7.291 246 HG12 VAL 36 2HG1 VAL 36 -13.892 1.191 -6.596 247 HG13 VAL 36 3HG1 VAL 36 -12.274 1.231 -5.855 248 HG21 VAL 36 1HG2 VAL 36 -10.257 0.356 -7.430 249 HG22 VAL 36 2HG2 VAL 36 -10.724 -0.418 -8.964 250 HG23 VAL 36 3HG2 VAL 36 -10.943 1.335 -8.749 251 H GLU 37 H GLU 37 -13.683 -3.029 -8.342 252 HA GLU 37 HA GLU 37 -11.752 -4.960 -8.437 253 HB2 GLU 37 1HB GLU 37 -14.319 -4.850 -9.209 254 HB3 GLU 37 2HB GLU 37 -13.601 -4.611 -10.790 255 HG2 GLU 37 1HG GLU 37 -12.070 -6.700 -9.914 256 HG3 GLU 37 2HG GLU 37 -13.540 -7.029 -9.019 257 H VAL 38 H VAL 38 -9.740 -4.961 -9.332 258 HA VAL 38 HA VAL 38 -8.651 -2.961 -10.792 259 HB VAL 38 HB VAL 38 -6.955 -4.596 -11.467 260 HG11 VAL 38 1HG1 VAL 38 -6.592 -5.570 -9.061 261 HG12 VAL 38 2HG1 VAL 38 -6.531 -3.812 -9.327 262 HG13 VAL 38 3HG1 VAL 38 -7.996 -4.559 -8.646 263 HG21 VAL 38 1HG2 VAL 38 -8.264 -6.505 -12.077 264 HG22 VAL 38 2HG2 VAL 38 -7.238 -6.984 -10.704 265 HG23 VAL 38 3HG2 VAL 38 -8.962 -6.626 -10.445 266 H ASP 39 H ASP 39 -7.894 -2.973 -13.134 267 HA ASP 39 HA ASP 39 -10.218 -3.428 -14.735 268 HB2 ASP 39 1HB ASP 39 -7.578 -2.011 -15.040 269 HB3 ASP 39 2HB ASP 39 -8.388 -2.511 -16.512 270 H GLU 40 H GLU 40 -6.663 -4.250 -14.843 271 HA GLU 40 HA GLU 40 -7.419 -6.637 -16.342 272 HB2 GLU 40 1HB GLU 40 -4.756 -5.183 -16.591 273 HB3 GLU 40 2HB GLU 40 -5.355 -6.480 -17.605 274 HG2 GLU 40 1HG GLU 40 -6.721 -3.760 -17.359 275 HG3 GLU 40 2HG GLU 40 -5.571 -4.157 -18.620 276 H SER 41 H SER 41 -4.492 -5.345 -14.601 277 HA SER 41 HA SER 41 -4.525 -6.674 -12.358 278 HB2 SER 41 1HB SER 41 -3.117 -8.831 -12.991 279 HB3 SER 41 2HB SER 41 -4.868 -8.865 -13.049 280 HG SER 41 HG SER 41 -3.799 -7.945 -15.440 281 H ARG 42 H ARG 42 -2.798 -5.712 -15.248 282 HA ARG 42 HA ARG 42 -0.625 -4.866 -13.571 283 HB2 ARG 42 1HB ARG 42 1.063 -5.737 -15.292 284 HB3 ARG 42 2HB ARG 42 0.286 -6.975 -14.324 285 HG2 ARG 42 1HG ARG 42 -1.409 -6.537 -16.593 286 HG3 ARG 42 2HG ARG 42 0.230 -6.622 -17.208 287 HD2 ARG 42 1HD ARG 42 -1.172 -8.707 -15.470 288 HD3 ARG 42 2HD ARG 42 -0.713 -8.885 -17.152 289 HE ARG 42 HE ARG 42 1.560 -8.233 -15.436 290 HH11 ARG 42 2HH2 ARG 42 -0.456 -10.854 -16.639 291 HH12 ARG 42 1HH2 ARG 42 0.755 -12.068 -16.396 292 HH21 ARG 42 2HH1 ARG 42 3.158 -9.834 -15.114 293 HH22 ARG 42 1HH1 ARG 42 2.825 -11.484 -15.522 294 H GLY 43 H GLY 43 -0.291 -2.720 -14.069 295 HA2 GLY 43 1HA GLY 43 0.290 -1.639 -16.494 296 HA3 GLY 43 2HA GLY 43 -1.461 -1.596 -16.445 297 H MET 44 H MET 44 1.166 0.294 -15.912 298 HA MET 44 HA MET 44 0.727 1.356 -13.388 299 HB2 MET 44 1HB MET 44 2.036 2.308 -15.966 300 HB3 MET 44 2HB MET 44 1.889 3.432 -14.629 301 HG2 MET 44 1HG MET 44 4.022 2.430 -14.294 302 HG3 MET 44 2HG MET 44 2.985 1.587 -13.159 303 HE1 MET 44 1HE MET 44 4.090 1.766 -16.725 304 HE2 MET 44 2HE MET 44 4.417 0.092 -17.234 305 HE3 MET 44 3HE MET 44 2.744 0.697 -17.188 306 H HIS 45 H HIS 45 -1.079 1.640 -16.349 307 HA HIS 45 HA HIS 45 -2.245 4.170 -15.567 308 HB2 HIS 45 1HB HIS 45 -3.408 4.058 -17.698 309 HB3 HIS 45 2HB HIS 45 -1.686 3.812 -17.911 310 HD1 HIS 45 1HD HIS 45 -0.894 1.545 -18.850 311 HD2 HIS 45 2HD HIS 45 -5.026 1.728 -18.148 312 HE1 HIS 45 1HE HIS 45 -1.900 -0.521 -19.958 313 H ILE 46 H ILE 46 -2.641 0.852 -14.892 314 HA ILE 46 HA ILE 46 -5.494 0.837 -14.774 315 HB ILE 46 HB ILE 46 -3.521 -1.060 -13.502 316 HG12 ILE 46 1HG1 ILE 46 -3.278 -0.568 -16.047 317 HG13 ILE 46 2HG1 ILE 46 -3.286 -2.224 -15.476 318 HG21 ILE 46 1HG2 ILE 46 -6.437 -0.957 -13.711 319 HG22 ILE 46 2HG2 ILE 46 -5.742 -2.479 -14.319 320 HG23 ILE 46 3HG2 ILE 46 -5.390 -1.940 -12.659 321 HD11 ILE 46 1HD1 ILE 46 -4.958 -1.183 -17.446 322 HD12 ILE 46 2HD1 ILE 46 -5.225 -2.707 -16.566 323 HD13 ILE 46 3HD1 ILE 46 -6.006 -1.209 -16.007 324 H CYS 47 H CYS 47 -2.852 0.820 -12.274 325 HA CYS 47 HA CYS 47 -4.282 0.965 -10.038 326 HB2 CYS 47 1HB CYS 47 -1.820 2.615 -10.696 327 HB3 CYS 47 2HB CYS 47 -2.457 2.388 -9.079 328 HG CYS 47 HG CYS 47 -1.850 0.078 -8.683 329 H GLU 48 H GLU 48 -3.437 3.779 -12.183 330 HA GLU 48 HA GLU 48 -4.743 5.691 -10.719 331 HB2 GLU 48 1HB GLU 48 -4.327 5.536 -13.737 332 HB3 GLU 48 2HB GLU 48 -4.779 6.991 -12.871 333 HG2 GLU 48 1HG GLU 48 -2.683 6.875 -11.537 334 HG3 GLU 48 2HG GLU 48 -2.239 5.379 -12.334 335 H ASP 49 H ASP 49 -5.954 3.807 -13.586 336 HA ASP 49 HA ASP 49 -8.372 4.830 -13.887 337 HB2 ASP 49 1HB ASP 49 -7.086 2.374 -14.503 338 HB3 ASP 49 2HB ASP 49 -8.602 1.908 -13.757 339 H ALA 50 H ALA 50 -7.184 2.824 -11.185 340 HA ALA 50 HA ALA 50 -9.667 2.088 -10.108 341 HB1 ALA 50 1HB ALA 50 -7.278 1.201 -9.642 342 HB2 ALA 50 2HB ALA 50 -7.136 2.572 -8.516 343 HB3 ALA 50 3HB ALA 50 -8.394 1.339 -8.263 344 H VAL 51 H VAL 51 -7.329 4.598 -8.888 345 HA VAL 51 HA VAL 51 -8.896 5.796 -7.068 346 HB VAL 51 HB VAL 51 -7.146 7.271 -9.041 347 HG11 VAL 51 1HG1 VAL 51 -7.499 9.047 -7.742 348 HG12 VAL 51 2HG1 VAL 51 -8.582 8.088 -6.704 349 HG13 VAL 51 3HG1 VAL 51 -6.839 8.159 -6.348 350 HG21 VAL 51 1HG2 VAL 51 -6.474 5.310 -6.899 351 HG22 VAL 51 2HG2 VAL 51 -5.626 5.690 -8.417 352 HG23 VAL 51 3HG2 VAL 51 -5.462 6.770 -7.012 353 H LYS 52 H LYS 52 -8.672 6.984 -10.502 354 HA LYS 52 HA LYS 52 -10.624 8.811 -10.482 355 HB2 LYS 52 1HB LYS 52 -9.978 6.783 -12.638 356 HB3 LYS 52 2HB LYS 52 -11.023 8.167 -12.890 357 HG2 LYS 52 1HG LYS 52 -9.143 9.352 -13.369 358 HG3 LYS 52 2HG LYS 52 -8.786 9.307 -11.654 359 HD2 LYS 52 1HD LYS 52 -7.087 7.800 -11.922 360 HD3 LYS 52 2HD LYS 52 -8.015 6.807 -13.028 361 HE2 LYS 52 1HE LYS 52 -7.283 9.398 -14.232 362 HE3 LYS 52 2HE LYS 52 -5.871 8.500 -13.709 363 HZ1 LYS 52 1HZ LYS 52 -6.204 6.984 -15.276 364 HZ2 LYS 52 2HZ LYS 52 -7.819 6.898 -15.043 365 HZ3 LYS 52 3HZ LYS 52 -7.191 8.074 -15.987 366 H ARG 53 H ARG 53 -11.148 5.253 -10.973 367 HA ARG 53 HA ARG 53 -13.766 5.207 -11.363 368 HB2 ARG 53 1HB ARG 53 -11.806 3.354 -10.567 369 HB3 ARG 53 2HB ARG 53 -13.001 3.235 -9.291 370 HG2 ARG 53 1HG ARG 53 -14.786 3.016 -11.129 371 HG3 ARG 53 2HG ARG 53 -13.475 2.879 -12.284 372 HD2 ARG 53 1HD ARG 53 -12.648 1.010 -10.475 373 HD3 ARG 53 2HD ARG 53 -14.375 0.925 -10.189 374 HE ARG 53 HE ARG 53 -13.630 0.866 -13.033 375 HH11 ARG 53 2HH2 ARG 53 -14.258 -1.049 -10.149 376 HH12 ARG 53 1HH2 ARG 53 -14.611 -2.497 -11.032 377 HH21 ARG 53 2HH1 ARG 53 -14.095 -1.043 -14.198 378 HH22 ARG 53 1HH1 ARG 53 -14.517 -2.494 -13.351 379 H LEU 54 H LEU 54 -12.127 5.406 -8.128 380 HA LEU 54 HA LEU 54 -14.552 5.516 -6.681 381 HB2 LEU 54 1HB LEU 54 -11.761 6.363 -5.894 382 HB3 LEU 54 2HB LEU 54 -13.111 6.137 -4.801 383 HG LEU 54 HG LEU 54 -11.954 3.929 -6.522 384 HD11 LEU 54 1HD1 LEU 54 -10.605 3.218 -4.763 385 HD12 LEU 54 2HD1 LEU 54 -10.395 4.985 -4.758 386 HD13 LEU 54 3HD1 LEU 54 -11.465 4.213 -3.564 387 HD21 LEU 54 1HD2 LEU 54 -13.135 2.568 -4.629 388 HD22 LEU 54 2HD2 LEU 54 -14.093 4.053 -4.422 389 HD23 LEU 54 3HD2 LEU 54 -14.080 3.214 -5.992 390 H LYS 55 H LYS 55 -12.240 7.987 -7.938 391 HA LYS 55 HA LYS 55 -13.376 10.203 -6.767 392 HB2 LYS 55 1HB LYS 55 -11.632 9.636 -9.085 393 HB3 LYS 55 2HB LYS 55 -12.509 11.150 -9.183 394 HG2 LYS 55 1HG LYS 55 -10.525 11.734 -8.021 395 HG3 LYS 55 2HG LYS 55 -11.718 11.585 -6.746 396 HD2 LYS 55 1HD LYS 55 -10.902 9.422 -6.078 397 HD3 LYS 55 2HD LYS 55 -9.985 9.219 -7.558 398 HE2 LYS 55 1HE LYS 55 -8.483 9.804 -5.676 399 HE3 LYS 55 2HE LYS 55 -8.453 11.059 -6.899 400 HZ1 LYS 55 1HZ LYS 55 -9.819 11.104 -4.315 401 HZ2 LYS 55 2HZ LYS 55 -8.724 12.162 -4.904 402 HZ3 LYS 55 3HZ LYS 55 -10.242 12.137 -5.506 403 H ALA 56 H ALA 56 -14.560 8.130 -9.361 404 HA ALA 56 HA ALA 56 -16.561 10.101 -10.117 405 HB1 ALA 56 1HB ALA 56 -16.989 7.627 -11.430 406 HB2 ALA 56 2HB ALA 56 -16.241 9.096 -12.101 407 HB3 ALA 56 3HB ALA 56 -15.224 7.845 -11.348 408 H THR 57 H THR 57 -16.078 7.279 -8.072 409 HA THR 57 HA THR 57 -18.810 6.510 -7.925 410 HB THR 57 HB THR 57 -16.425 5.357 -7.282 411 HG1 THR 57 1HG THR 57 -18.991 5.058 -5.885 412 HG21 THR 57 1HG2 THR 57 -15.950 5.371 -4.991 413 HG22 THR 57 2HG2 THR 57 -16.521 7.048 -5.168 414 HG23 THR 57 3HG2 THR 57 -17.621 5.794 -4.548 415 H GLY 58 H GLY 58 -17.039 9.204 -6.683 416 HA2 GLY 58 1HA GLY 58 -17.621 10.870 -5.294 417 HA3 GLY 58 2HA GLY 58 -19.289 10.398 -5.549 418 H LYS 59 H LYS 59 -16.341 9.181 -3.792 419 HA LYS 59 HA LYS 59 -18.141 8.518 -1.566 420 HB2 LYS 59 1HB LYS 59 -16.608 6.764 -2.977 421 HB3 LYS 59 2HB LYS 59 -15.486 7.211 -1.707 422 HG2 LYS 59 1HG LYS 59 -16.933 6.448 0.022 423 HG3 LYS 59 2HG LYS 59 -18.352 6.505 -1.005 424 HD2 LYS 59 1HD LYS 59 -16.789 4.707 -2.397 425 HD3 LYS 59 2HD LYS 59 -16.276 4.376 -0.754 426 HE2 LYS 59 1HE LYS 59 -18.117 3.001 -0.729 427 HE3 LYS 59 2HE LYS 59 -18.976 4.482 -0.354 428 HZ1 LYS 59 1HZ LYS 59 -18.697 4.395 -3.089 429 HZ2 LYS 59 2HZ LYS 59 -19.173 2.899 -2.641 430 HZ3 LYS 59 3HZ LYS 59 -20.069 4.199 -2.225 431 H LYS 60 H LYS 60 -15.586 8.021 0.051 432 HA LYS 60 HA LYS 60 -14.446 10.661 0.231 433 HB2 LYS 60 1HB LYS 60 -15.134 11.094 2.507 434 HB3 LYS 60 2HB LYS 60 -16.547 10.925 1.486 435 HG2 LYS 60 1HG LYS 60 -17.317 9.228 2.774 436 HG3 LYS 60 2HG LYS 60 -15.863 8.300 2.467 437 HD2 LYS 60 1HD LYS 60 -14.705 9.352 4.347 438 HD3 LYS 60 2HD LYS 60 -16.007 10.502 4.574 439 HE2 LYS 60 1HE LYS 60 -17.355 8.066 4.715 440 HE3 LYS 60 2HE LYS 60 -15.815 7.675 5.456 441 HZ1 LYS 60 1HZ LYS 60 -16.754 8.584 7.237 442 HZ2 LYS 60 2HZ LYS 60 -16.381 10.026 6.567 443 HZ3 LYS 60 3HZ LYS 60 -17.883 9.409 6.395 444 H ALA 61 H ALA 61 -12.536 10.691 1.619 445 HA ALA 61 HA ALA 61 -11.410 8.003 1.828 446 HB1 ALA 61 1HB ALA 61 -10.444 10.324 0.711 447 HB2 ALA 61 2HB ALA 61 -9.692 10.360 2.324 448 HB3 ALA 61 3HB ALA 61 -9.435 8.962 1.253 449 H VAL 62 H VAL 62 -11.086 7.039 3.780 450 HA VAL 62 HA VAL 62 -11.908 8.504 6.123 451 HB VAL 62 HB VAL 62 -11.208 5.659 5.466 452 HG11 VAL 62 1HG1 VAL 62 -10.135 6.179 7.639 453 HG12 VAL 62 2HG1 VAL 62 -11.710 6.720 8.267 454 HG13 VAL 62 3HG1 VAL 62 -11.476 5.019 7.798 455 HG21 VAL 62 1HG2 VAL 62 -13.572 7.084 5.418 456 HG22 VAL 62 2HG2 VAL 62 -13.426 5.312 5.502 457 HG23 VAL 62 3HG2 VAL 62 -13.642 6.259 6.994 458 H LYS 63 H LYS 63 -10.539 8.465 8.135 459 HA LYS 63 HA LYS 63 -7.779 9.039 7.363 460 HB2 LYS 63 1HB LYS 63 -9.600 9.993 9.551 461 HB3 LYS 63 2HB LYS 63 -7.867 10.041 9.800 462 HG2 LYS 63 1HG LYS 63 -8.699 11.063 7.141 463 HG3 LYS 63 2HG LYS 63 -9.360 11.985 8.477 464 HD2 LYS 63 1HD LYS 63 -7.328 12.874 9.020 465 HD3 LYS 63 2HD LYS 63 -6.517 11.325 8.898 466 HE2 LYS 63 1HE LYS 63 -5.799 11.739 6.767 467 HE3 LYS 63 2HE LYS 63 -7.366 12.337 6.259 468 HZ1 LYS 63 1HZ LYS 63 -5.786 13.999 8.036 469 HZ2 LYS 63 2HZ LYS 63 -5.339 13.912 6.468 470 HZ3 LYS 63 3HZ LYS 63 -6.833 14.440 6.862 471 H ALA 64 H ALA 64 -6.554 7.210 7.432 472 HA ALA 64 HA ALA 64 -6.469 5.832 9.991 473 HB1 ALA 64 1HB ALA 64 -7.654 4.085 9.205 474 HB2 ALA 64 2HB ALA 64 -7.673 4.757 7.557 475 HB3 ALA 64 3HB ALA 64 -6.297 3.767 8.099 476 H VAL 65 H VAL 65 -4.507 4.263 9.979 477 HA VAL 65 HA VAL 65 -2.357 5.641 8.541 478 HB VAL 65 HB VAL 65 -2.366 3.945 11.045 479 HG11 VAL 65 1HG1 VAL 65 -0.163 4.895 9.293 480 HG12 VAL 65 2HG1 VAL 65 0.070 5.123 11.043 481 HG13 VAL 65 3HG1 VAL 65 -0.239 3.496 10.390 482 HG21 VAL 65 1HG2 VAL 65 -1.563 6.843 10.887 483 HG22 VAL 65 2HG2 VAL 65 -3.280 6.390 11.018 484 HG23 VAL 65 3HG2 VAL 65 -2.130 5.898 12.285 485 H LEU 66 H LEU 66 -1.369 4.624 6.873 486 HA LEU 66 HA LEU 66 -2.112 1.868 6.377 487 HB2 LEU 66 1HB LEU 66 -2.349 3.225 4.503 488 HB3 LEU 66 2HB LEU 66 -0.840 4.069 4.787 489 HG LEU 66 HG LEU 66 0.450 2.151 4.077 490 HD11 LEU 66 1HD1 LEU 66 -0.345 0.035 3.654 491 HD12 LEU 66 2HD1 LEU 66 -1.386 0.530 5.010 492 HD13 LEU 66 3HD1 LEU 66 -2.005 0.595 3.342 493 HD21 LEU 66 1HD2 LEU 66 -0.167 2.061 1.732 494 HD22 LEU 66 2HD2 LEU 66 -1.796 2.670 2.109 495 HD23 LEU 66 3HD2 LEU 66 -0.377 3.714 2.360 496 H TRP 67 H TRP 67 -0.937 0.236 7.211 497 HA TRP 67 HA TRP 67 1.839 0.801 7.922 498 HB2 TRP 67 1HB TRP 67 0.015 -1.484 8.689 499 HB3 TRP 67 2HB TRP 67 1.675 -1.292 9.217 500 HD1 TRP 67 HD TRP 67 -1.665 0.726 9.496 501 HE1 TRP 67 1HE TRP 67 -1.776 2.012 11.797 502 HE3 TRP 67 3HE TRP 67 2.975 -0.629 11.075 503 HZ2 TRP 67 2HZ TRP 67 0.049 2.311 13.972 504 HZ3 TRP 67 3HZ TRP 67 3.733 0.203 13.299 505 HH2 TRP 67 HH TRP 67 2.353 1.625 14.731 506 H VAL 68 H VAL 68 3.553 -0.559 7.131 507 HA VAL 68 HA VAL 68 2.775 -2.358 4.953 508 HB VAL 68 HB VAL 68 5.045 -0.365 4.835 509 HG11 VAL 68 1HG1 VAL 68 5.691 -2.052 3.402 510 HG12 VAL 68 2HG1 VAL 68 4.017 -2.511 3.006 511 HG13 VAL 68 3HG1 VAL 68 4.726 -1.038 2.303 512 HG21 VAL 68 1HG2 VAL 68 2.191 -0.183 3.938 513 HG22 VAL 68 2HG2 VAL 68 3.260 1.070 4.612 514 HG23 VAL 68 3HG2 VAL 68 3.457 0.547 2.922 515 H SER 69 H SER 69 3.504 -4.362 5.418 516 HA SER 69 HA SER 69 6.099 -4.521 6.712 517 HB2 SER 69 1HB SER 69 3.580 -6.021 7.549 518 HB3 SER 69 2HB SER 69 5.187 -6.459 8.093 519 HG SER 69 HG SER 69 3.526 -4.475 9.021 520 H ALA 70 H ALA 70 7.061 -6.801 6.475 521 HA ALA 70 HA ALA 70 7.048 -7.569 3.822 522 HB1 ALA 70 1HB ALA 70 7.738 -9.393 6.145 523 HB2 ALA 70 2HB ALA 70 8.487 -9.319 4.532 524 HB3 ALA 70 3HB ALA 70 8.757 -8.003 5.700 525 H ASP 71 H ASP 71 4.871 -8.375 6.478 526 HA ASP 71 HA ASP 71 3.904 -10.743 5.304 527 HB2 ASP 71 1HB ASP 71 3.571 -9.309 7.737 528 HB3 ASP 71 2HB ASP 71 1.972 -9.361 7.021 529 H GLY 72 H GLY 72 3.612 -7.406 4.568 530 HA2 GLY 72 1HA GLY 72 2.343 -7.148 2.407 531 HA3 GLY 72 2HA GLY 72 0.967 -7.766 3.299 532 H LEU 73 H LEU 73 -0.417 -6.066 3.622 533 HA LEU 73 HA LEU 73 0.760 -3.672 4.846 534 HB2 LEU 73 1HB LEU 73 -1.630 -3.402 3.097 535 HB3 LEU 73 2HB LEU 73 -0.372 -2.243 3.478 536 HG LEU 73 HG LEU 73 0.284 -4.651 1.802 537 HD11 LEU 73 1HD1 LEU 73 -0.173 -2.898 -0.146 538 HD12 LEU 73 2HD1 LEU 73 -1.428 -4.013 0.445 539 HD13 LEU 73 3HD1 LEU 73 -1.401 -2.324 1.007 540 HD21 LEU 73 1HD2 LEU 73 2.251 -3.653 1.573 541 HD22 LEU 73 2HD2 LEU 73 1.482 -2.152 1.007 542 HD23 LEU 73 3HD2 LEU 73 1.720 -2.427 2.749 543 H ARG 74 H ARG 74 -1.160 -2.315 5.884 544 HA ARG 74 HA ARG 74 -3.295 -3.950 6.793 545 HB2 ARG 74 1HB ARG 74 -1.004 -3.172 8.639 546 HB3 ARG 74 2HB ARG 74 -2.618 -3.398 9.285 547 HG2 ARG 74 1HG ARG 74 -2.389 -5.672 7.759 548 HG3 ARG 74 2HG ARG 74 -0.709 -5.423 8.190 549 HD2 ARG 74 1HD ARG 74 -1.364 -5.286 10.615 550 HD3 ARG 74 2HD ARG 74 -3.035 -5.572 10.171 551 HE ARG 74 HE ARG 74 -1.519 -7.668 9.012 552 HH11 ARG 74 2HH2 ARG 74 -2.320 -6.483 12.227 553 HH12 ARG 74 1HH2 ARG 74 -2.192 -8.042 12.972 554 HH21 ARG 74 2HH1 ARG 74 -1.351 -9.724 9.994 555 HH22 ARG 74 1HH1 ARG 74 -1.637 -9.898 11.693 556 H VAL 75 H VAL 75 -4.969 -2.497 6.567 557 HA VAL 75 HA VAL 75 -4.416 0.325 6.875 558 HB VAL 75 HB VAL 75 -6.910 -1.194 6.086 559 HG11 VAL 75 1HG1 VAL 75 -7.652 1.025 5.186 560 HG12 VAL 75 2HG1 VAL 75 -7.548 0.955 6.962 561 HG13 VAL 75 3HG1 VAL 75 -6.273 1.772 6.027 562 HG21 VAL 75 1HG2 VAL 75 -4.808 0.215 4.407 563 HG22 VAL 75 2HG2 VAL 75 -5.124 -1.536 4.475 564 HG23 VAL 75 3HG2 VAL 75 -6.345 -0.437 3.789 565 H VAL 76 H VAL 76 -4.018 0.610 9.105 566 HA VAL 76 HA VAL 76 -5.879 -0.435 11.013 567 HB VAL 76 HB VAL 76 -3.389 1.221 11.049 568 HG11 VAL 76 1HG1 VAL 76 -5.481 1.119 13.209 569 HG12 VAL 76 2HG1 VAL 76 -3.757 1.213 13.642 570 HG13 VAL 76 3HG1 VAL 76 -4.495 2.490 12.645 571 HG21 VAL 76 1HG2 VAL 76 -4.056 -1.162 12.774 572 HG22 VAL 76 2HG2 VAL 76 -3.553 -1.367 11.079 573 HG23 VAL 76 3HG2 VAL 76 -2.466 -0.566 12.239 574 H ASP 77 H ASP 77 -7.232 0.871 12.434 575 HA ASP 77 HA ASP 77 -8.225 3.174 10.982 576 HB2 ASP 77 1HB ASP 77 -9.690 1.164 11.788 577 HB3 ASP 77 2HB ASP 77 -9.512 1.839 13.395 578 H GLU 78 H GLU 78 -7.156 5.041 11.712 579 HA GLU 78 HA GLU 78 -5.752 5.402 13.922 580 HB2 GLU 78 1HB GLU 78 -7.483 7.296 12.328 581 HB3 GLU 78 2HB GLU 78 -6.674 7.894 13.763 582 HG2 GLU 78 1HG GLU 78 -4.657 6.444 12.459 583 HG3 GLU 78 2HG GLU 78 -5.537 7.176 11.132 584 H LYS 79 H LYS 79 -9.277 5.194 13.717 585 HA LYS 79 HA LYS 79 -10.149 6.476 15.919 586 HB2 LYS 79 1HB LYS 79 -11.422 5.067 14.195 587 HB3 LYS 79 2HB LYS 79 -11.071 3.685 15.213 588 HG2 LYS 79 1HG LYS 79 -12.355 6.211 16.331 589 HG3 LYS 79 2HG LYS 79 -13.314 4.926 15.624 590 HD2 LYS 79 1HD LYS 79 -13.152 3.678 17.511 591 HD3 LYS 79 2HD LYS 79 -11.402 3.764 17.478 592 HE2 LYS 79 1HE LYS 79 -11.998 4.798 19.541 593 HE3 LYS 79 2HE LYS 79 -11.641 6.144 18.476 594 HZ1 LYS 79 1HZ LYS 79 -13.941 6.463 18.105 595 HZ2 LYS 79 2HZ LYS 79 -14.351 5.091 18.889 596 HZ3 LYS 79 3HZ LYS 79 -13.732 6.353 19.721 597 H THR 80 H THR 80 -9.436 2.922 16.086 598 HA THR 80 HA THR 80 -8.284 3.440 18.749 599 HB THR 80 HB THR 80 -10.629 2.356 18.650 600 HG1 THR 80 1HG THR 80 -9.242 2.054 20.482 601 HG21 THR 80 1HG2 THR 80 -10.466 0.775 16.829 602 HG22 THR 80 2HG2 THR 80 -8.899 0.165 17.411 603 HG23 THR 80 3HG2 THR 80 -10.388 -0.206 18.312 604 H LYS 81 H LYS 81 -7.215 3.115 15.824 605 HA LYS 81 HA LYS 81 -5.342 2.327 14.956 606 HB2 LYS 81 1HB LYS 81 -4.885 1.813 17.849 607 HB3 LYS 81 2HB LYS 81 -3.865 0.926 16.734 608 HG2 LYS 81 1HG LYS 81 -4.275 3.953 16.655 609 HG3 LYS 81 2HG LYS 81 -2.909 3.162 17.415 610 HD2 LYS 81 1HD LYS 81 -2.591 1.994 15.064 611 HD3 LYS 81 2HD LYS 81 -3.615 3.284 14.467 612 HE2 LYS 81 1HE LYS 81 -1.395 4.124 14.216 613 HE3 LYS 81 2HE LYS 81 -2.006 4.930 15.647 614 HZ1 LYS 81 1HZ LYS 81 -0.524 3.894 16.900 615 HZ2 LYS 81 2HZ LYS 81 -0.784 2.430 16.226 616 HZ3 LYS 81 3HZ LYS 81 0.249 3.481 15.522 617 H ASP 82 H ASP 82 -7.981 0.635 15.769 618 HA ASP 82 HA ASP 82 -7.264 -2.000 15.744 619 HB2 ASP 82 1HB ASP 82 -9.645 -0.455 15.532 620 HB3 ASP 82 2HB ASP 82 -9.667 -1.520 14.141 621 H LEU 83 H LEU 83 -8.284 -3.395 13.618 622 HA LEU 83 HA LEU 83 -6.692 -2.410 11.361 623 HB2 LEU 83 1HB LEU 83 -5.993 -4.534 12.396 624 HB3 LEU 83 2HB LEU 83 -7.569 -5.219 12.050 625 HG LEU 83 HG LEU 83 -7.185 -5.142 9.683 626 HD11 LEU 83 1HD1 LEU 83 -4.848 -4.358 8.882 627 HD12 LEU 83 2HD1 LEU 83 -6.104 -3.142 9.219 628 HD13 LEU 83 3HD1 LEU 83 -4.813 -3.440 10.407 629 HD21 LEU 83 1HD2 LEU 83 -4.834 -6.242 11.235 630 HD22 LEU 83 2HD2 LEU 83 -6.295 -7.099 10.689 631 HD23 LEU 83 3HD2 LEU 83 -5.094 -6.541 9.499 632 H ILE 84 H ILE 84 -7.703 -1.772 9.527 633 HA ILE 84 HA ILE 84 -10.589 -2.119 9.453 634 HB ILE 84 HB ILE 84 -8.781 -0.446 7.708 635 HG12 ILE 84 1HG1 ILE 84 -10.431 0.484 10.071 636 HG13 ILE 84 2HG1 ILE 84 -8.723 0.108 10.179 637 HG21 ILE 84 1HG2 ILE 84 -11.723 -0.005 8.143 638 HG22 ILE 84 2HG2 ILE 84 -10.676 0.545 6.813 639 HG23 ILE 84 3HG2 ILE 84 -11.148 -1.168 6.925 640 HD11 ILE 84 1HD1 ILE 84 -9.598 1.961 7.973 641 HD12 ILE 84 2HD1 ILE 84 -9.570 2.591 9.638 642 HD13 ILE 84 3HD1 ILE 84 -8.081 1.946 8.904 643 H VAL 85 H VAL 85 -7.636 -2.731 7.452 644 HA VAL 85 HA VAL 85 -9.105 -4.930 6.215 645 HB VAL 85 HB VAL 85 -7.705 -2.672 4.785 646 HG11 VAL 85 1HG1 VAL 85 -6.903 -4.757 3.812 647 HG12 VAL 85 2HG1 VAL 85 -8.572 -5.357 3.660 648 HG13 VAL 85 3HG1 VAL 85 -8.037 -3.959 2.696 649 HG21 VAL 85 1HG2 VAL 85 -10.358 -3.728 3.942 650 HG22 VAL 85 2HG2 VAL 85 -10.299 -2.837 5.482 651 HG23 VAL 85 3HG2 VAL 85 -9.744 -2.057 3.981 652 H ASP 86 H ASP 86 -7.625 -6.542 5.218 653 HA ASP 86 HA ASP 86 -4.938 -6.298 6.311 654 HB2 ASP 86 1HB ASP 86 -5.859 -7.868 7.799 655 HB3 ASP 86 2HB ASP 86 -6.953 -8.522 6.597 656 H GLN 87 H GLN 87 -3.501 -6.430 4.581 657 HA GLN 87 HA GLN 87 -4.292 -8.171 2.381 658 HB2 GLN 87 1HB GLN 87 -4.538 -5.724 1.815 659 HB3 GLN 87 2HB GLN 87 -2.823 -5.511 2.110 660 HG2 GLN 87 1HG GLN 87 -3.316 -5.836 -0.316 661 HG3 GLN 87 2HG GLN 87 -2.258 -7.086 0.308 662 HE21 GLN 87 1HE2 GLN 87 -2.816 -8.543 -1.269 663 HE22 GLN 87 2HE2 GLN 87 -4.339 -9.365 -1.327 664 H THR 88 H THR 88 -2.601 -9.400 1.404 665 HA THR 88 HA THR 88 -0.104 -9.375 2.963 666 HB THR 88 HB THR 88 -1.192 -11.486 3.252 667 HG1 THR 88 1HG THR 88 1.046 -11.553 2.360 668 HG21 THR 88 1HG2 THR 88 -1.680 -12.694 0.843 669 HG22 THR 88 2HG2 THR 88 -2.939 -11.828 1.758 670 HG23 THR 88 3HG2 THR 88 -2.085 -11.011 0.426 671 H ILE 89 H ILE 89 1.873 -9.202 1.981 672 HA ILE 89 HA ILE 89 2.013 -7.821 -0.398 673 HB ILE 89 HB ILE 89 3.709 -8.330 1.577 674 HG12 ILE 89 1HG1 ILE 89 5.503 -7.373 0.132 675 HG13 ILE 89 2HG1 ILE 89 4.478 -7.619 -1.268 676 HG21 ILE 89 1HG2 ILE 89 3.881 -10.739 0.390 677 HG22 ILE 89 2HG2 ILE 89 5.168 -9.880 -0.489 678 HG23 ILE 89 3HG2 ILE 89 5.220 -9.985 1.288 679 HD11 ILE 89 1HD1 ILE 89 4.436 -5.281 -0.118 680 HD12 ILE 89 2HD1 ILE 89 2.875 -6.022 -0.545 681 HD13 ILE 89 3HD1 ILE 89 3.454 -6.074 1.137 682 H GLU 90 H GLU 90 1.680 -11.276 0.236 683 HA GLU 90 HA GLU 90 2.709 -12.250 -2.118 684 HB2 GLU 90 1HB GLU 90 0.573 -13.217 -0.204 685 HB3 GLU 90 2HB GLU 90 0.898 -14.119 -1.671 686 HG2 GLU 90 1HG GLU 90 2.921 -13.424 0.509 687 HG3 GLU 90 2HG GLU 90 2.259 -15.012 0.178 688 H LYS 91 H LYS 91 -0.827 -11.800 -1.361 689 HA LYS 91 HA LYS 91 -1.805 -12.183 -3.857 690 HB2 LYS 91 1HB LYS 91 -2.681 -10.683 -1.449 691 HB3 LYS 91 2HB LYS 91 -3.493 -10.268 -2.945 692 HG2 LYS 91 1HG LYS 91 -4.802 -12.094 -2.593 693 HG3 LYS 91 2HG LYS 91 -3.416 -13.057 -3.064 694 HD2 LYS 91 1HD LYS 91 -2.700 -13.314 -0.750 695 HD3 LYS 91 2HD LYS 91 -3.857 -12.121 -0.195 696 HE2 LYS 91 1HE LYS 91 -5.739 -13.572 -0.712 697 HE3 LYS 91 2HE LYS 91 -4.719 -14.690 -1.595 698 HZ1 LYS 91 1HZ LYS 91 -3.581 -14.522 0.859 699 HZ2 LYS 91 2HZ LYS 91 -5.181 -14.529 1.185 700 HZ3 LYS 91 3HZ LYS 91 -4.519 -15.744 0.317 701 H VAL 92 H VAL 92 -0.710 -9.016 -2.457 702 HA VAL 92 HA VAL 92 -1.198 -7.353 -4.493 703 HB VAL 92 HB VAL 92 1.287 -7.573 -2.788 704 HG11 VAL 92 1HG1 VAL 92 2.094 -5.602 -3.576 705 HG12 VAL 92 2HG1 VAL 92 1.207 -6.085 -5.042 706 HG13 VAL 92 3HG1 VAL 92 0.474 -4.937 -3.895 707 HG21 VAL 92 1HG2 VAL 92 -1.269 -5.961 -2.494 708 HG22 VAL 92 2HG2 VAL 92 -0.737 -7.324 -1.479 709 HG23 VAL 92 3HG2 VAL 92 0.169 -5.791 -1.458 710 H SER 93 H SER 93 -1.117 -7.939 -6.629 711 HA SER 93 HA SER 93 1.075 -9.491 -7.566 712 HB2 SER 93 1HB SER 93 -1.040 -9.937 -8.589 713 HB3 SER 93 2HB SER 93 -1.364 -8.237 -8.868 714 HG SER 93 HG SER 93 0.197 -10.050 -10.368 715 H PHE 94 H PHE 94 -0.197 -6.126 -8.070 716 HA PHE 94 HA PHE 94 2.530 -5.289 -8.639 717 HB2 PHE 94 1HB PHE 94 1.289 -5.829 -10.810 718 HB3 PHE 94 2HB PHE 94 0.034 -4.698 -10.342 719 HD1 PHE 94 2HD PHE 94 3.763 -4.461 -10.272 720 HD2 PHE 94 1HD PHE 94 0.114 -2.872 -11.745 721 HE1 PHE 94 2HE PHE 94 5.024 -2.600 -11.389 722 HE2 PHE 94 1HE PHE 94 1.376 -1.011 -12.861 723 HZ PHE 94 HZ PHE 94 3.815 -0.897 -12.670 724 H CYS 95 H CYS 95 2.794 -2.900 -8.489 725 HA CYS 95 HA CYS 95 0.581 -1.435 -7.409 726 HB2 CYS 95 1HB CYS 95 1.957 -0.783 -5.336 727 HB3 CYS 95 2HB CYS 95 1.130 -2.328 -5.318 728 HG CYS 95 HG CYS 95 3.037 -3.626 -4.822 729 H ALA 96 H ALA 96 0.778 0.404 -8.642 730 HA ALA 96 HA ALA 96 3.502 1.445 -9.029 731 HB1 ALA 96 1HB ALA 96 1.403 0.728 -10.944 732 HB2 ALA 96 2HB ALA 96 1.927 2.420 -11.121 733 HB3 ALA 96 3HB ALA 96 3.120 1.104 -11.226 734 HA PRO 97 HA PRO 97 1.957 5.108 -7.329 735 HB2 PRO 97 1HB PRO 97 3.593 6.994 -8.440 736 HB3 PRO 97 2HB PRO 97 4.071 5.987 -7.088 737 HG2 PRO 97 1HG PRO 97 4.885 5.792 -9.923 738 HG3 PRO 97 2HG PRO 97 5.653 5.095 -8.511 739 HD2 PRO 97 1HD PRO 97 4.023 3.723 -10.431 740 HD3 PRO 97 2HD PRO 97 4.694 3.053 -8.958 741 H ASP 98 H ASP 98 1.800 7.719 -8.286 742 HA ASP 98 HA ASP 98 0.128 7.370 -10.626 743 HB2 ASP 98 1HB ASP 98 -1.129 7.440 -8.283 744 HB3 ASP 98 2HB ASP 98 -0.790 9.157 -8.357 745 H ARG 99 H ARG 99 -0.505 9.723 -11.471 746 HA ARG 99 HA ARG 99 1.601 11.583 -10.735 747 HB2 ARG 99 1HB ARG 99 0.931 10.463 -13.446 748 HB3 ARG 99 2HB ARG 99 1.322 12.170 -13.387 749 HG2 ARG 99 1HG ARG 99 3.451 11.594 -12.140 750 HG3 ARG 99 2HG ARG 99 3.069 9.895 -12.336 751 HD2 ARG 99 1HD ARG 99 2.959 11.466 -14.866 752 HD3 ARG 99 2HD ARG 99 4.550 11.394 -14.135 753 HE ARG 99 HE ARG 99 3.189 8.793 -14.258 754 HH11 ARG 99 2HH2 ARG 99 5.304 11.043 -15.945 755 HH12 ARG 99 1HH2 ARG 99 6.001 9.825 -16.960 756 HH21 ARG 99 2HH1 ARG 99 4.109 7.186 -15.596 757 HH22 ARG 99 1HH1 ARG 99 5.317 7.617 -16.761 758 H ASN 100 H ASN 100 -1.576 10.985 -12.349 759 HA ASN 100 HA ASN 100 -2.413 13.429 -12.926 760 HB2 ASN 100 1HB ASN 100 -4.146 11.456 -11.354 761 HB3 ASN 100 2HB ASN 100 -4.705 12.637 -12.521 762 HD21 ASN 100 1HD2 ASN 100 -4.182 9.483 -12.080 763 HD22 ASN 100 2HD2 ASN 100 -3.836 8.942 -13.689 764 H PHE 101 H PHE 101 -2.769 11.808 -9.675 765 HA PHE 101 HA PHE 101 -3.452 14.363 -8.488 766 HB2 PHE 101 1HB PHE 101 -3.033 11.661 -7.115 767 HB3 PHE 101 2HB PHE 101 -4.112 12.950 -6.618 768 HD1 PHE 101 2HD PHE 101 -3.641 10.198 -9.010 769 HD2 PHE 101 1HD PHE 101 -6.316 13.148 -7.545 770 HE1 PHE 101 2HE PHE 101 -5.540 9.068 -10.201 771 HE2 PHE 101 1HE PHE 101 -8.215 12.018 -8.736 772 HZ PHE 101 HZ PHE 101 -7.804 9.992 -10.050 773 H ASP 102 H ASP 102 -2.441 14.334 -5.987 774 HA ASP 102 HA ASP 102 0.412 14.433 -6.523 775 HB2 ASP 102 1HB ASP 102 -1.310 16.318 -5.434 776 HB3 ASP 102 2HB ASP 102 -0.642 15.587 -3.988 777 H ARG 103 H ARG 103 -2.169 13.199 -4.352 778 HA ARG 103 HA ARG 103 -0.168 11.455 -3.173 779 HB2 ARG 103 1HB ARG 103 -1.384 11.635 -0.976 780 HB3 ARG 103 2HB ARG 103 -0.678 13.158 -1.479 781 HG2 ARG 103 1HG ARG 103 -3.135 13.393 -2.657 782 HG3 ARG 103 2HG ARG 103 -3.563 12.366 -1.304 783 HD2 ARG 103 1HD ARG 103 -2.831 13.978 0.311 784 HD3 ARG 103 2HD ARG 103 -1.882 14.863 -0.867 785 HE ARG 103 HE ARG 103 -4.748 14.774 -1.497 786 HH11 ARG 103 2HH2 ARG 103 -2.211 16.510 0.215 787 HH12 ARG 103 1HH2 ARG 103 -3.085 18.005 0.256 788 HH21 ARG 103 2HH1 ARG 103 -5.901 16.747 -1.444 789 HH22 ARG 103 1HH1 ARG 103 -5.198 18.141 -0.694 790 H ALA 104 H ALA 104 -1.147 10.121 -5.048 791 HA ALA 104 HA ALA 104 -3.478 8.690 -4.006 792 HB1 ALA 104 1HB ALA 104 -4.264 10.282 -5.730 793 HB2 ALA 104 2HB ALA 104 -3.092 9.604 -6.886 794 HB3 ALA 104 3HB ALA 104 -4.427 8.596 -6.278 795 H PHE 105 H PHE 105 -3.037 6.548 -3.836 796 HA PHE 105 HA PHE 105 -1.234 5.369 -5.783 797 HB2 PHE 105 1HB PHE 105 0.353 5.824 -4.051 798 HB3 PHE 105 2HB PHE 105 -0.858 5.721 -2.789 799 HD1 PHE 105 2HD PHE 105 1.340 3.767 -4.994 800 HD2 PHE 105 1HD PHE 105 -1.384 3.625 -1.743 801 HE1 PHE 105 2HE PHE 105 2.074 1.422 -4.481 802 HE2 PHE 105 1HE PHE 105 -0.651 1.280 -1.230 803 HZ PHE 105 HZ PHE 105 1.070 0.206 -2.605 804 H SER 106 H SER 106 -1.773 3.250 -6.284 805 HA SER 106 HA SER 106 -3.541 1.882 -4.458 806 HB2 SER 106 1HB SER 106 -5.201 1.373 -6.160 807 HB3 SER 106 2HB SER 106 -5.010 3.113 -6.075 808 HG SER 106 HG SER 106 -4.979 1.885 -8.279 809 H TYR 107 H TYR 107 -3.688 -0.490 -4.980 810 HA TYR 107 HA TYR 107 -1.608 -1.395 -6.829 811 HB2 TYR 107 1HB TYR 107 -0.766 -2.873 -5.013 812 HB3 TYR 107 2HB TYR 107 -0.769 -1.225 -4.416 813 HD1 TYR 107 2HD TYR 107 -2.970 -4.262 -4.504 814 HD2 TYR 107 1HD TYR 107 -1.747 -0.774 -2.350 815 HE1 TYR 107 2HE TYR 107 -4.400 -4.974 -2.526 816 HE2 TYR 107 1HE TYR 107 -3.180 -1.497 -0.379 817 HH TYR 107 HH TYR 107 -5.497 -3.190 -0.364 818 H ILE 108 H ILE 108 -1.813 -3.749 -7.348 819 HA ILE 108 HA ILE 108 -4.646 -4.476 -7.304 820 HB ILE 108 HB ILE 108 -2.392 -5.419 -9.079 821 HG12 ILE 108 1HG1 ILE 108 -4.592 -3.386 -9.514 822 HG13 ILE 108 2HG1 ILE 108 -2.862 -3.115 -9.555 823 HG21 ILE 108 1HG2 ILE 108 -4.979 -5.918 -10.170 824 HG22 ILE 108 2HG2 ILE 108 -3.708 -7.081 -9.723 825 HG23 ILE 108 3HG2 ILE 108 -4.927 -6.589 -8.522 826 HD11 ILE 108 1HD1 ILE 108 -4.547 -3.838 -11.729 827 HD12 ILE 108 2HD1 ILE 108 -2.772 -3.695 -11.741 828 HD13 ILE 108 3HD1 ILE 108 -3.536 -5.265 -11.393 829 H CYS 109 H CYS 109 -5.339 -6.532 -6.591 830 HA CYS 109 HA CYS 109 -3.371 -8.375 -5.622 831 HB2 CYS 109 1HB CYS 109 -3.961 -8.365 -3.312 832 HB3 CYS 109 2HB CYS 109 -3.572 -6.712 -3.747 833 HG CYS 109 HG CYS 109 -5.733 -7.135 -2.064 834 H ARG 110 H ARG 110 -4.687 -10.320 -4.546 835 HA ARG 110 HA ARG 110 -7.102 -10.584 -6.146 836 HB2 ARG 110 1HB ARG 110 -5.347 -12.199 -6.772 837 HB3 ARG 110 2HB ARG 110 -5.151 -12.697 -5.103 838 HG2 ARG 110 1HG ARG 110 -6.637 -14.352 -5.620 839 HG3 ARG 110 2HG ARG 110 -7.860 -13.109 -5.448 840 HD2 ARG 110 1HD ARG 110 -7.688 -12.599 -7.895 841 HD3 ARG 110 2HD ARG 110 -6.459 -13.836 -8.068 842 HE ARG 110 HE ARG 110 -9.319 -14.271 -7.884 843 HH11 ARG 110 2HH2 ARG 110 -6.215 -15.710 -7.060 844 HH12 ARG 110 1HH2 ARG 110 -6.823 -17.332 -7.063 845 HH21 ARG 110 2HH1 ARG 110 -10.121 -16.410 -7.889 846 HH22 ARG 110 1HH1 ARG 110 -9.059 -17.733 -7.538 847 H ASP 111 H ASP 111 -8.640 -9.802 -4.621 848 HA ASP 111 HA ASP 111 -8.617 -10.157 -1.958 849 HB2 ASP 111 1HB ASP 111 -10.281 -8.863 -3.443 850 HB3 ASP 111 2HB ASP 111 -11.136 -10.376 -3.664 851 H GLY 112 H GLY 112 -10.373 -11.611 -0.703 852 HA2 GLY 112 1HA GLY 112 -10.329 -14.338 -1.850 853 HA3 GLY 112 2HA GLY 112 -9.938 -14.003 -0.175 854 H THR 113 H THR 113 -11.863 -12.036 0.499 855 HA THR 113 HA THR 113 -14.040 -13.566 1.200 856 HB THR 113 HB THR 113 -15.079 -11.148 1.437 857 HG1 THR 113 1HG THR 113 -13.778 -9.680 0.417 858 HG21 THR 113 1HG2 THR 113 -12.319 -11.574 2.684 859 HG22 THR 113 2HG2 THR 113 -13.669 -10.622 3.348 860 HG23 THR 113 3HG2 THR 113 -13.780 -12.398 3.280 861 H THR 114 H THR 114 -13.354 -11.935 -1.861 862 HA THR 114 HA THR 114 -16.033 -12.756 -2.777 863 HB THR 114 HB THR 114 -14.195 -10.454 -3.610 864 HG1 THR 114 1HG THR 114 -15.491 -9.703 -1.960 865 HG21 THR 114 1HG2 THR 114 -17.009 -11.028 -4.638 866 HG22 THR 114 2HG2 THR 114 -15.834 -9.842 -5.257 867 HG23 THR 114 3HG2 THR 114 -15.569 -11.581 -5.527 868 H ARG 115 H ARG 115 -12.631 -13.305 -2.965 869 HA ARG 115 HA ARG 115 -11.443 -14.669 -4.146 870 HB2 ARG 115 1HB ARG 115 -14.203 -15.722 -4.744 871 HB3 ARG 115 2HB ARG 115 -12.896 -16.311 -5.751 872 HG2 ARG 115 1HG ARG 115 -12.437 -16.281 -2.774 873 HG3 ARG 115 2HG ARG 115 -13.548 -17.483 -3.403 874 HD2 ARG 115 1HD ARG 115 -11.600 -17.925 -5.176 875 HD3 ARG 115 2HD ARG 115 -10.590 -17.161 -3.966 876 HE ARG 115 HE ARG 115 -11.891 -19.783 -3.758 877 HH11 ARG 115 2HH2 ARG 115 -10.427 -17.129 -1.971 878 HH12 ARG 115 1HH2 ARG 115 -10.057 -18.098 -0.584 879 HH21 ARG 115 2HH1 ARG 115 -11.403 -21.062 -1.928 880 HH22 ARG 115 1HH1 ARG 115 -10.616 -20.350 -0.559 881 H ARG 116 H ARG 116 -11.302 -12.258 -5.202 882 HA ARG 116 HA ARG 116 -11.112 -12.772 -7.982 883 HB2 ARG 116 1HB ARG 116 -12.522 -10.877 -8.730 884 HB3 ARG 116 2HB ARG 116 -13.489 -12.029 -7.831 885 HG2 ARG 116 1HG ARG 116 -13.978 -10.507 -6.208 886 HG3 ARG 116 2HG ARG 116 -12.298 -10.038 -6.034 887 HD2 ARG 116 1HD ARG 116 -13.783 -8.151 -6.813 888 HD3 ARG 116 2HD ARG 116 -12.455 -8.479 -7.908 889 HE ARG 116 HE ARG 116 -13.983 -9.425 -9.488 890 HH11 ARG 116 2HH2 ARG 116 -15.604 -8.416 -6.532 891 HH12 ARG 116 1HH2 ARG 116 -17.190 -8.487 -7.226 892 HH21 ARG 116 2HH1 ARG 116 -16.075 -9.519 -10.403 893 HH22 ARG 116 1HH1 ARG 116 -17.459 -9.118 -9.443 894 H TRP 117 H TRP 117 -10.512 -10.332 -9.033 895 HA TRP 117 HA TRP 117 -8.259 -9.507 -7.398 896 HB2 TRP 117 1HB TRP 117 -8.963 -8.645 -10.203 897 HB3 TRP 117 2HB TRP 117 -7.428 -8.457 -9.378 898 HD1 TRP 117 HD TRP 117 -9.541 -11.154 -11.142 899 HE1 TRP 117 1HE TRP 117 -8.091 -13.282 -11.718 900 HE3 TRP 117 3HE TRP 117 -5.403 -9.676 -8.582 901 HZ2 TRP 117 2HZ TRP 117 -5.436 -14.090 -11.054 902 HZ3 TRP 117 3HZ TRP 117 -3.425 -11.193 -8.597 903 HH2 TRP 117 HH TRP 117 -3.397 -13.333 -9.777 904 H ILE 118 H ILE 118 -8.365 -7.707 -6.120 905 HA ILE 118 HA ILE 118 -10.437 -5.737 -6.798 906 HB ILE 118 HB ILE 118 -9.669 -6.948 -4.165 907 HG12 ILE 118 1HG1 ILE 118 -11.596 -7.770 -5.639 908 HG13 ILE 118 2HG1 ILE 118 -11.937 -7.452 -3.950 909 HG21 ILE 118 1HG2 ILE 118 -10.740 -4.177 -4.658 910 HG22 ILE 118 2HG2 ILE 118 -11.142 -5.075 -3.175 911 HG23 ILE 118 3HG2 ILE 118 -9.443 -4.711 -3.561 912 HD11 ILE 118 1HD1 ILE 118 -13.648 -6.521 -5.599 913 HD12 ILE 118 2HD1 ILE 118 -12.981 -5.330 -4.455 914 HD13 ILE 118 3HD1 ILE 118 -12.394 -5.377 -6.135 915 H CYS 119 H CYS 119 -9.787 -3.620 -6.946 916 HA CYS 119 HA CYS 119 -6.928 -3.205 -6.638 917 HB2 CYS 119 1HB CYS 119 -8.317 -2.613 -8.765 918 HB3 CYS 119 2HB CYS 119 -8.838 -1.211 -7.852 919 HG CYS 119 HG CYS 119 -6.648 -0.081 -7.507 920 H HIS 120 H HIS 120 -6.129 -2.020 -4.919 921 HA HIS 120 HA HIS 120 -8.125 -0.590 -3.319 922 HB2 HIS 120 1HB HIS 120 -5.714 -2.219 -2.584 923 HB3 HIS 120 2HB HIS 120 -6.213 -0.911 -1.530 924 HD1 HIS 120 1HD HIS 120 -8.332 -1.248 -0.107 925 HD2 HIS 120 2HD HIS 120 -7.585 -4.392 -2.781 926 HE1 HIS 120 1HE HIS 120 -9.917 -3.137 0.550 927 H CYS 121 H CYS 121 -7.886 1.590 -3.052 928 HA CYS 121 HA CYS 121 -5.359 2.709 -4.031 929 HB2 CYS 121 1HB CYS 121 -8.003 4.177 -4.053 930 HB3 CYS 121 2HB CYS 121 -6.520 4.594 -4.889 931 HG CYS 121 HG CYS 121 -8.966 3.025 -5.874 932 H PHE 122 H PHE 122 -4.666 4.726 -2.874 933 HA PHE 122 HA PHE 122 -5.967 5.192 -0.328 934 HB2 PHE 122 1HB PHE 122 -3.012 4.414 -0.711 935 HB3 PHE 122 2HB PHE 122 -3.719 4.892 0.820 936 HD1 PHE 122 2HD PHE 122 -3.804 2.275 -1.797 937 HD2 PHE 122 1HD PHE 122 -4.835 3.321 2.184 938 HE1 PHE 122 2HE PHE 122 -4.392 -0.118 -1.321 939 HE2 PHE 122 1HE PHE 122 -5.423 0.928 2.660 940 HZ PHE 122 HZ PHE 122 -5.195 -0.763 0.902 941 H MET 123 H MET 123 -6.105 7.366 -0.053 942 HA MET 123 HA MET 123 -4.395 9.001 -1.699 943 HB2 MET 123 1HB MET 123 -7.052 9.188 -0.419 944 HB3 MET 123 2HB MET 123 -6.110 10.637 -0.126 945 HG2 MET 123 1HG MET 123 -6.047 9.595 -2.936 946 HG3 MET 123 2HG MET 123 -7.588 10.231 -2.396 947 HE1 MET 123 1HE MET 123 -4.401 11.916 -4.278 948 HE2 MET 123 2HE MET 123 -5.858 10.947 -4.603 949 HE3 MET 123 3HE MET 123 -5.937 12.723 -4.676 950 H ALA 124 H ALA 124 -2.348 9.069 -0.727 951 HA ALA 124 HA ALA 124 -1.707 9.032 1.889 952 HB1 ALA 124 1HB ALA 124 0.333 9.374 1.007 953 HB2 ALA 124 2HB ALA 124 -0.456 9.649 -0.565 954 HB3 ALA 124 3HB ALA 124 -0.105 11.026 0.507 955 H VAL 125 H VAL 125 -1.137 10.728 3.472 956 HA VAL 125 HA VAL 125 -3.129 12.845 3.380 957 HB VAL 125 HB VAL 125 -1.407 11.625 5.530 958 HG11 VAL 125 1HG1 VAL 125 -2.320 14.337 5.423 959 HG12 VAL 125 2HG1 VAL 125 -3.256 13.474 6.667 960 HG13 VAL 125 3HG1 VAL 125 -1.477 13.493 6.744 961 HG21 VAL 125 1HG2 VAL 125 -3.312 10.297 5.159 962 HG22 VAL 125 2HG2 VAL 125 -3.749 11.315 6.552 963 HG23 VAL 125 3HG2 VAL 125 -4.368 11.711 4.930 964 H LYS 126 H LYS 126 0.388 12.493 4.248 965 HA LYS 126 HA LYS 126 0.797 15.099 2.971 966 HB2 LYS 126 1HB LYS 126 2.348 15.712 4.789 967 HB3 LYS 126 2HB LYS 126 0.694 15.542 5.340 968 HG2 LYS 126 1HG LYS 126 1.341 13.084 5.946 969 HG3 LYS 126 2HG LYS 126 3.002 13.601 5.742 970 HD2 LYS 126 1HD LYS 126 1.162 15.245 7.495 971 HD3 LYS 126 2HD LYS 126 1.821 13.749 8.126 972 HE2 LYS 126 1HE LYS 126 3.531 15.176 8.769 973 HE3 LYS 126 2HE LYS 126 4.125 14.762 7.173 974 HZ1 LYS 126 1HZ LYS 126 2.568 16.783 6.570 975 HZ2 LYS 126 2HZ LYS 126 2.954 17.227 8.094 976 HZ3 LYS 126 3HZ LYS 126 4.134 16.981 6.991 977 H ASP 127 H ASP 127 1.079 12.609 1.686 978 HA ASP 127 HA ASP 127 3.948 12.656 1.332 979 HB2 ASP 127 1HB ASP 127 2.296 10.106 1.664 980 HB3 ASP 127 2HB ASP 127 3.980 10.144 1.181 981 H THR 128 H THR 128 4.307 10.895 -0.710 982 HA THR 128 HA THR 128 2.175 11.517 -2.648 983 HB THR 128 HB THR 128 4.272 12.878 -2.953 984 HG1 THR 128 1HG THR 128 4.032 12.438 -5.139 985 HG21 THR 128 1HG2 THR 128 5.650 10.325 -3.828 986 HG22 THR 128 2HG2 THR 128 6.371 11.893 -3.391 987 HG23 THR 128 3HG2 THR 128 5.754 10.812 -2.119 988 H GLY 129 H GLY 129 1.584 9.932 -4.140 989 HA2 GLY 129 1HA GLY 129 1.398 7.362 -3.335 990 HA3 GLY 129 2HA GLY 129 1.424 7.854 -5.016 991 H GLU 130 H GLU 130 4.160 8.883 -5.091 992 HA GLU 130 HA GLU 130 5.491 6.651 -5.839 993 HB2 GLU 130 1HB GLU 130 6.000 9.358 -5.849 994 HB3 GLU 130 2HB GLU 130 7.210 8.804 -4.709 995 HG2 GLU 130 1HG GLU 130 8.332 8.596 -6.771 996 HG3 GLU 130 2HG GLU 130 7.760 6.963 -6.493 997 H ARG 131 H ARG 131 5.850 8.438 -2.690 998 HA ARG 131 HA ARG 131 7.706 6.815 -1.578 999 HB2 ARG 131 1HB ARG 131 5.906 8.876 -0.710 1000 HB3 ARG 131 2HB ARG 131 5.751 7.569 0.447 1001 HG2 ARG 131 1HG ARG 131 7.887 7.843 1.255 1002 HG3 ARG 131 2HG ARG 131 8.560 8.163 -0.332 1003 HD2 ARG 131 1HD ARG 131 6.824 10.195 1.143 1004 HD3 ARG 131 2HD ARG 131 8.565 10.138 1.330 1005 HE ARG 131 HE ARG 131 7.742 10.210 -1.474 1006 HH11 ARG 131 2HH2 ARG 131 8.411 12.179 1.365 1007 HH12 ARG 131 1HH2 ARG 131 8.767 13.606 0.449 1008 HH21 ARG 131 2HH1 ARG 131 8.211 12.092 -2.682 1009 HH22 ARG 131 1HH1 ARG 131 8.653 13.556 -1.868 1010 H LEU 132 H LEU 132 4.084 6.549 -1.360 1011 HA LEU 132 HA LEU 132 3.950 4.328 0.246 1012 HB2 LEU 132 1HB LEU 132 2.149 5.238 -1.999 1013 HB3 LEU 132 2HB LEU 132 1.744 3.950 -0.882 1014 HG LEU 132 HG LEU 132 2.195 5.767 0.960 1015 HD11 LEU 132 1HD1 LEU 132 1.163 7.967 -0.291 1016 HD12 LEU 132 2HD1 LEU 132 2.883 7.715 0.093 1017 HD13 LEU 132 3HD1 LEU 132 2.268 7.329 -1.532 1018 HD21 LEU 132 1HD2 LEU 132 -0.089 6.096 1.143 1019 HD22 LEU 132 2HD2 LEU 132 -0.330 6.172 -0.619 1020 HD23 LEU 132 3HD2 LEU 132 0.006 4.611 0.166 1021 H SER 133 H SER 133 4.784 4.623 -3.200 1022 HA SER 133 HA SER 133 4.447 1.903 -3.774 1023 HB2 SER 133 1HB SER 133 5.026 2.529 -5.889 1024 HB3 SER 133 2HB SER 133 4.887 4.159 -5.261 1025 HG SER 133 HG SER 133 7.026 3.152 -6.372 1026 H HIS 134 H HIS 134 7.073 3.887 -2.403 1027 HA HIS 134 HA HIS 134 9.134 2.030 -2.796 1028 HB2 HIS 134 1HB HIS 134 9.578 4.366 -2.354 1029 HB3 HIS 134 2HB HIS 134 8.780 4.277 -0.797 1030 HD1 HIS 134 1HD HIS 134 10.085 3.199 1.181 1031 HD2 HIS 134 2HD HIS 134 12.193 3.251 -2.445 1032 HE1 HIS 134 1HE HIS 134 12.504 2.619 1.752 1033 H ALA 135 H ALA 135 7.288 2.855 0.233 1034 HA ALA 135 HA ALA 135 8.249 0.889 1.833 1035 HB1 ALA 135 1HB ALA 135 6.014 1.059 2.985 1036 HB2 ALA 135 2HB ALA 135 6.772 2.631 2.635 1037 HB3 ALA 135 3HB ALA 135 5.440 2.038 1.614 1038 H VAL 136 H VAL 136 5.212 0.626 -0.160 1039 HA VAL 136 HA VAL 136 4.805 -2.062 0.307 1040 HB VAL 136 HB VAL 136 3.227 -0.411 -0.681 1041 HG11 VAL 136 1HG1 VAL 136 4.926 0.493 -2.341 1042 HG12 VAL 136 2HG1 VAL 136 4.608 -0.959 -3.321 1043 HG13 VAL 136 3HG1 VAL 136 3.293 0.191 -2.980 1044 HG21 VAL 136 1HG2 VAL 136 3.678 -3.078 -2.036 1045 HG22 VAL 136 2HG2 VAL 136 2.529 -2.668 -0.741 1046 HG23 VAL 136 3HG2 VAL 136 2.266 -2.055 -2.391 1047 H GLY 137 H GLY 137 7.004 -0.382 -1.941 1048 HA2 GLY 137 1HA GLY 137 7.637 -2.752 -3.443 1049 HA3 GLY 137 2HA GLY 137 8.417 -1.185 -3.527 1050 H CYS 138 H CYS 138 8.369 -1.700 -0.278 1051 HA CYS 138 HA CYS 138 11.067 -2.764 -0.351 1052 HB2 CYS 138 1HB CYS 138 9.485 -1.287 1.766 1053 HB3 CYS 138 2HB CYS 138 11.025 -2.049 2.111 1054 HG CYS 138 HG CYS 138 11.322 -0.633 -0.651 1055 H ALA 139 H ALA 139 7.855 -3.243 1.275 1056 HA ALA 139 HA ALA 139 8.572 -5.509 2.726 1057 HB1 ALA 139 1HB ALA 139 6.403 -3.881 2.575 1058 HB2 ALA 139 2HB ALA 139 5.789 -5.294 1.683 1059 HB3 ALA 139 3HB ALA 139 6.375 -5.482 3.353 1060 H PHE 140 H PHE 140 7.345 -5.068 -0.632 1061 HA PHE 140 HA PHE 140 6.946 -7.790 -1.145 1062 HB2 PHE 140 1HB PHE 140 6.530 -5.336 -2.379 1063 HB3 PHE 140 2HB PHE 140 7.904 -5.910 -3.303 1064 HD1 PHE 140 2HD PHE 140 7.522 -8.664 -3.773 1065 HD2 PHE 140 1HD PHE 140 4.556 -5.640 -3.513 1066 HE1 PHE 140 2HE PHE 140 5.988 -10.047 -5.198 1067 HE2 PHE 140 1HE PHE 140 3.022 -7.023 -4.938 1068 HZ PHE 140 HZ PHE 140 3.755 -9.210 -5.764 1069 H ALA 141 H ALA 141 9.707 -5.580 -2.000 1070 HA ALA 141 HA ALA 141 11.266 -7.606 -3.141 1071 HB1 ALA 141 1HB ALA 141 11.638 -5.250 -3.609 1072 HB2 ALA 141 2HB ALA 141 11.980 -4.922 -1.894 1073 HB3 ALA 141 3HB ALA 141 13.102 -5.920 -2.850 1074 H ALA 142 H ALA 142 10.432 -6.856 0.154 1075 HA ALA 142 HA ALA 142 12.805 -8.083 1.249 1076 HB1 ALA 142 1HB ALA 142 11.636 -6.131 2.304 1077 HB2 ALA 142 2HB ALA 142 10.231 -7.182 2.601 1078 HB3 ALA 142 3HB ALA 142 11.787 -7.534 3.389 1079 H CYS 143 H CYS 143 9.248 -8.776 1.033 1080 HA CYS 143 HA CYS 143 9.350 -11.226 2.301 1081 HB2 CYS 143 1HB CYS 143 7.276 -9.946 1.788 1082 HB3 CYS 143 2HB CYS 143 7.445 -10.371 0.096 1083 HG CYS 143 HG CYS 143 6.533 -12.053 2.698 1084 H LEU 144 H LEU 144 9.687 -10.292 -1.186 1085 HA LEU 144 HA LEU 144 9.952 -12.909 -2.147 1086 HB2 LEU 144 1HB LEU 144 10.710 -10.196 -3.200 1087 HB3 LEU 144 2HB LEU 144 11.083 -11.660 -4.089 1088 HG LEU 144 HG LEU 144 8.396 -10.463 -3.457 1089 HD11 LEU 144 1HD1 LEU 144 9.369 -9.733 -5.515 1090 HD12 LEU 144 2HD1 LEU 144 9.764 -11.403 -5.989 1091 HD13 LEU 144 3HD1 LEU 144 8.065 -10.881 -5.903 1092 HD21 LEU 144 1HD2 LEU 144 7.565 -12.692 -4.609 1093 HD22 LEU 144 2HD2 LEU 144 9.037 -13.355 -3.859 1094 HD23 LEU 144 3HD2 LEU 144 7.793 -12.582 -2.847 1095 H GLU 145 H GLU 145 12.199 -10.632 -0.604 1096 HA GLU 145 HA GLU 145 14.523 -11.947 -1.445 1097 HB2 GLU 145 1HB GLU 145 13.785 -9.772 0.412 1098 HB3 GLU 145 2HB GLU 145 15.168 -10.694 0.967 1099 HG2 GLU 145 1HG GLU 145 15.446 -10.228 -1.884 1100 HG3 GLU 145 2HG GLU 145 15.091 -8.702 -1.098 1101 H ARG 146 H ARG 146 12.025 -12.849 0.720 1102 HA ARG 146 HA ARG 146 13.814 -14.409 2.356 1103 HB2 ARG 146 1HB ARG 146 12.108 -14.461 3.923 1104 HB3 ARG 146 2HB ARG 146 11.565 -13.050 3.036 1105 HG2 ARG 146 1HG ARG 146 10.318 -14.847 1.512 1106 HG3 ARG 146 2HG ARG 146 10.514 -15.886 2.909 1107 HD2 ARG 146 1HD ARG 146 9.252 -13.106 3.043 1108 HD3 ARG 146 2HD ARG 146 8.324 -14.581 2.855 1109 HE ARG 146 HE ARG 146 9.535 -13.613 5.306 1110 HH11 ARG 146 2HH2 ARG 146 8.670 -16.556 3.583 1111 HH12 ARG 146 1HH2 ARG 146 8.529 -17.510 5.022 1112 HH21 ARG 146 2HH1 ARG 146 9.349 -14.870 7.205 1113 HH22 ARG 146 1HH1 ARG 146 8.918 -16.544 7.096 1114 H LYS 147 H LYS 147 11.583 -14.651 -0.364 1115 HA LYS 147 HA LYS 147 11.521 -17.561 -0.138 1116 HB2 LYS 147 1HB LYS 147 9.608 -17.534 -1.392 1117 HB3 LYS 147 2HB LYS 147 9.473 -15.975 -0.604 1118 HG2 LYS 147 1HG LYS 147 10.444 -14.848 -2.586 1119 HG3 LYS 147 2HG LYS 147 10.701 -16.395 -3.370 1120 HD2 LYS 147 1HD LYS 147 8.628 -15.253 -4.184 1121 HD3 LYS 147 2HD LYS 147 8.287 -16.817 -3.474 1122 HE2 LYS 147 1HE LYS 147 8.215 -14.464 -1.608 1123 HE3 LYS 147 2HE LYS 147 6.931 -14.553 -2.797 1124 HZ1 LYS 147 1HZ LYS 147 6.008 -15.953 -1.376 1125 HZ2 LYS 147 2HZ LYS 147 7.093 -17.070 -1.866 1126 HZ3 LYS 147 3HZ LYS 147 7.379 -16.189 -0.521 1127 H GLN 148 H GLN 148 12.387 -14.908 -2.451 1128 HA GLN 148 HA GLN 148 13.426 -16.605 -4.370 1129 HB2 GLN 148 1HB GLN 148 14.099 -13.703 -3.719 1130 HB3 GLN 148 2HB GLN 148 14.625 -14.523 -5.176 1131 HG2 GLN 148 1HG GLN 148 11.917 -15.095 -5.194 1132 HG3 GLN 148 2HG GLN 148 11.921 -13.512 -4.443 1133 HE21 GLN 148 1HE2 GLN 148 13.104 -11.783 -5.514 1134 HE22 GLN 148 2HE2 GLN 148 13.174 -11.727 -7.243 1135 H LYS 149 H LYS 149 15.174 -14.603 -1.879 1136 HA LYS 149 HA LYS 149 17.293 -14.719 -1.186 1137 HB2 LYS 149 1HB LYS 149 16.070 -17.409 -0.718 1138 HB3 LYS 149 2HB LYS 149 17.773 -17.205 -0.360 1139 HG2 LYS 149 1HG LYS 149 17.147 -15.128 1.002 1140 HG3 LYS 149 2HG LYS 149 15.464 -15.560 0.771 1141 HD2 LYS 149 1HD LYS 149 15.677 -17.579 2.032 1142 HD3 LYS 149 2HD LYS 149 17.423 -17.591 1.892 1143 HE2 LYS 149 1HE LYS 149 17.582 -15.586 3.351 1144 HE3 LYS 149 2HE LYS 149 15.835 -15.490 3.443 1145 HZ1 LYS 149 1HZ LYS 149 16.964 -16.650 5.310 1146 HZ2 LYS 149 2HZ LYS 149 15.759 -17.501 4.610 1147 HZ3 LYS 149 3HZ LYS 149 17.316 -17.875 4.289 1148 H ARG 150 H ARG 150 17.242 -14.610 -3.972 1149 HA ARG 150 HA ARG 150 19.151 -16.651 -4.743 1150 HB2 ARG 150 1HB ARG 150 17.462 -14.699 -6.380 1151 HB3 ARG 150 2HB ARG 150 18.687 -15.724 -7.100 1152 HG2 ARG 150 1HG ARG 150 17.190 -17.505 -5.518 1153 HG3 ARG 150 2HG ARG 150 15.977 -16.422 -6.172 1154 HD2 ARG 150 1HD ARG 150 17.848 -17.086 -8.287 1155 HD3 ARG 150 2HD ARG 150 17.332 -18.572 -7.516 1156 HE ARG 150 HE ARG 150 15.188 -18.256 -8.396 1157 HH11 ARG 150 2HH2 ARG 150 16.933 -15.203 -8.504 1158 HH12 ARG 150 1HH2 ARG 150 15.702 -14.384 -9.407 1159 HH21 ARG 150 2HH1 ARG 150 13.563 -17.177 -9.587 1160 HH22 ARG 150 1HH1 ARG 150 13.772 -15.515 -10.027 1161 H SER 151 H SER 151 20.994 -15.846 -6.242 1162 HA SER 151 HA SER 151 22.610 -14.154 -4.964 1163 HB2 SER 151 1HB SER 151 22.525 -15.423 -7.540 1164 HB3 SER 151 2HB SER 151 23.057 -13.773 -7.794 1165 HG SER 151 HG SER 151 24.361 -15.904 -6.511 1166 H GLY 152 H GLY 152 20.372 -13.291 -7.696 1167 HA2 GLY 152 1HA GLY 152 19.749 -11.265 -8.501 1168 HA3 GLY 152 2HA GLY 152 19.369 -10.965 -6.816 1169 HA PRO 153 HA PRO 153 23.555 -8.974 -7.933 1170 HB2 PRO 153 1HB PRO 153 23.934 -8.331 -10.562 1171 HB3 PRO 153 2HB PRO 153 24.611 -9.766 -9.819 1172 HG2 PRO 153 1HG PRO 153 22.310 -9.542 -11.661 1173 HG3 PRO 153 2HG PRO 153 23.254 -10.960 -11.252 1174 HD2 PRO 153 1HD PRO 153 20.636 -10.304 -10.282 1175 HD3 PRO 153 2HD PRO 153 21.628 -11.661 -9.786 1176 H SER 154 H SER 154 24.105 -6.753 -7.888 1177 HA SER 154 HA SER 154 22.166 -5.007 -9.037 1178 HB2 SER 154 1HB SER 154 22.309 -5.495 -6.060 1179 HB3 SER 154 2HB SER 154 21.947 -3.879 -6.632 1180 HG SER 154 HG SER 154 20.460 -5.830 -7.961 1181 H SER 155 H SER 155 24.208 -4.452 -10.166 1182 HA SER 155 HA SER 155 26.511 -3.725 -8.913 1183 HB2 SER 155 1HB SER 155 25.394 -3.575 -11.546 1184 HB3 SER 155 2HB SER 155 26.061 -1.993 -11.194 1185 HG SER 155 HG SER 155 27.930 -2.890 -11.737 1186 H GLY 156 H GLY 156 23.837 -1.531 -10.064 1187 HA2 GLY 156 1HA GLY 156 22.957 0.215 -8.787 1188 HA3 GLY 156 2HA GLY 156 24.407 0.250 -7.804 Start of MODEL 17 1 H1 GLY 1 H GLY 1 17.287 -19.859 7.921 2 HA2 GLY 1 1HA GLY 1 17.083 -19.408 5.031 3 HA3 GLY 1 2HA GLY 1 16.150 -18.632 6.295 4 H SER 2 H SER 2 17.133 -16.917 4.474 5 HA SER 2 HA SER 2 19.211 -15.599 5.992 6 HB2 SER 2 1HB SER 2 20.349 -14.972 3.785 7 HB3 SER 2 2HB SER 2 20.557 -16.630 4.313 8 HG SER 2 HG SER 2 18.566 -17.055 2.891 9 H SER 3 H SER 3 17.577 -14.104 6.684 10 HA SER 3 HA SER 3 16.306 -12.633 4.521 11 HB2 SER 3 1HB SER 3 15.539 -13.340 7.314 12 HB3 SER 3 2HB SER 3 15.098 -11.719 6.816 13 HG SER 3 HG SER 3 14.524 -13.624 4.859 14 H GLY 4 H GLY 4 16.501 -10.331 4.403 15 HA2 GLY 4 1HA GLY 4 17.307 -8.467 6.074 16 HA3 GLY 4 2HA GLY 4 18.839 -9.276 5.809 17 H SER 5 H SER 5 17.361 -6.579 4.914 18 HA SER 5 HA SER 5 17.803 -6.878 2.069 19 HB2 SER 5 1HB SER 5 16.241 -5.030 3.812 20 HB3 SER 5 2HB SER 5 16.973 -4.280 2.408 21 HG SER 5 HG SER 5 15.561 -6.749 2.069 22 H SER 6 H SER 6 19.462 -5.777 0.960 23 HA SER 6 HA SER 6 21.569 -4.840 2.635 24 HB2 SER 6 1HB SER 6 21.269 -5.853 -0.072 25 HB3 SER 6 2HB SER 6 22.175 -4.354 -0.114 26 HG SER 6 HG SER 6 23.615 -6.121 0.197 27 H GLY 7 H GLY 7 19.771 -3.476 -0.230 28 HA2 GLY 7 1HA GLY 7 19.001 -1.380 -0.597 29 HA3 GLY 7 2HA GLY 7 19.419 -0.939 1.047 30 H ALA 8 H ALA 8 19.849 0.725 -1.293 31 HA ALA 8 HA ALA 8 22.588 1.353 -0.851 32 HB1 ALA 8 1HB ALA 8 22.157 -0.579 -2.805 33 HB2 ALA 8 2HB ALA 8 22.234 0.934 -3.739 34 HB3 ALA 8 3HB ALA 8 23.586 0.474 -2.677 35 H SER 9 H SER 9 21.571 3.321 -0.168 36 HA SER 9 HA SER 9 21.388 5.214 -2.163 37 HB2 SER 9 1HB SER 9 18.984 5.786 -2.111 38 HB3 SER 9 2HB SER 9 19.231 4.167 -2.735 39 HG SER 9 HG SER 9 18.536 3.269 -0.774 40 H ARG 10 H ARG 10 21.004 7.396 -1.237 41 HA ARG 10 HA ARG 10 22.181 7.883 1.051 42 HB2 ARG 10 1HB ARG 10 19.809 9.305 -0.221 43 HB3 ARG 10 2HB ARG 10 20.562 9.952 1.223 44 HG2 ARG 10 1HG ARG 10 22.510 9.188 -0.883 45 HG3 ARG 10 2HG ARG 10 21.398 10.446 -1.386 46 HD2 ARG 10 1HD ARG 10 22.392 10.912 1.348 47 HD3 ARG 10 2HD ARG 10 23.707 10.792 0.196 48 HE ARG 10 HE ARG 10 21.542 12.482 -0.786 49 HH11 ARG 10 2HH2 ARG 10 24.406 12.429 1.258 50 HH12 ARG 10 1HH2 ARG 10 24.691 14.132 1.121 51 HH21 ARG 10 2HH1 ARG 10 21.918 14.729 -0.967 52 HH22 ARG 10 1HH1 ARG 10 23.267 15.449 -0.153 53 HA PRO 11 HA PRO 11 19.599 6.646 4.341 54 HB2 PRO 11 1HB PRO 11 20.325 8.355 6.346 55 HB3 PRO 11 2HB PRO 11 21.271 6.951 5.895 56 HG2 PRO 11 1HG PRO 11 21.800 9.803 5.326 57 HG3 PRO 11 2HG PRO 11 22.909 8.448 5.266 58 HD2 PRO 11 1HD PRO 11 21.688 9.765 3.030 59 HD3 PRO 11 2HD PRO 11 22.705 8.339 2.979 60 H HIS 12 H HIS 12 17.823 7.146 5.863 61 HA HIS 12 HA HIS 12 15.817 8.003 6.126 62 HB2 HIS 12 1HB HIS 12 17.611 10.366 5.977 63 HB3 HIS 12 2HB HIS 12 15.895 10.695 5.837 64 HD1 HIS 12 1HD HIS 12 14.502 9.109 7.869 65 HD2 HIS 12 2HD HIS 12 18.362 10.590 8.579 66 HE1 HIS 12 1HE HIS 12 14.795 9.157 10.404 67 H GLN 13 H GLN 13 14.172 9.832 5.008 68 HA GLN 13 HA GLN 13 12.812 9.978 3.303 69 HB2 GLN 13 1HB GLN 13 15.481 10.681 2.036 70 HB3 GLN 13 2HB GLN 13 13.987 10.809 1.129 71 HG2 GLN 13 1HG GLN 13 13.079 12.450 2.643 72 HG3 GLN 13 2HG GLN 13 14.293 12.115 3.862 73 HE21 GLN 13 1HE2 GLN 13 14.373 14.530 3.639 74 HE22 GLN 13 2HE2 GLN 13 15.516 15.206 2.528 75 H TRP 14 H TRP 14 11.862 7.974 2.923 76 HA TRP 14 HA TRP 14 11.315 6.245 1.615 77 HB2 TRP 14 1HB TRP 14 13.843 6.825 0.061 78 HB3 TRP 14 2HB TRP 14 12.630 5.638 -0.376 79 HD1 TRP 14 HD TRP 14 12.526 9.484 0.400 80 HE1 TRP 14 1HE TRP 14 10.950 10.721 -1.317 81 HE3 TRP 14 3HE TRP 14 11.166 5.308 -2.163 82 HZ2 TRP 14 2HZ TRP 14 9.347 9.834 -3.505 83 HZ3 TRP 14 3HZ TRP 14 9.591 5.582 -4.076 84 HH2 TRP 14 HH TRP 14 8.689 7.748 -4.759 85 H GLN 15 H GLN 15 14.110 6.734 3.505 86 HA GLN 15 HA GLN 15 14.884 3.954 3.397 87 HB2 GLN 15 1HB GLN 15 16.797 5.316 3.451 88 HB3 GLN 15 2HB GLN 15 16.080 6.469 4.560 89 HG2 GLN 15 1HG GLN 15 16.726 5.285 6.412 90 HG3 GLN 15 2HG GLN 15 16.284 3.744 5.704 91 HE21 GLN 15 1HE2 GLN 15 18.588 4.209 7.223 92 HE22 GLN 15 2HE2 GLN 15 19.993 3.971 6.239 93 H THR 16 H THR 16 13.397 6.389 5.579 94 HA THR 16 HA THR 16 13.370 4.840 7.904 95 HB THR 16 HB THR 16 12.955 7.269 7.872 96 HG1 THR 16 1HG THR 16 11.590 6.782 9.543 97 HG21 THR 16 1HG2 THR 16 11.074 8.282 6.833 98 HG22 THR 16 2HG2 THR 16 11.583 7.094 5.610 99 HG23 THR 16 3HG2 THR 16 10.209 6.733 6.683 100 H ASP 17 H ASP 17 11.226 4.864 5.046 101 HA ASP 17 HA ASP 17 9.407 3.098 6.370 102 HB2 ASP 17 1HB ASP 17 9.498 4.693 3.894 103 HB3 ASP 17 2HB ASP 17 8.840 3.094 3.606 104 H GLU 18 H GLU 18 12.437 2.847 4.882 105 HA GLU 18 HA GLU 18 11.910 0.418 3.460 106 HB2 GLU 18 1HB GLU 18 13.613 2.252 2.804 107 HB3 GLU 18 2HB GLU 18 14.634 1.620 4.081 108 HG2 GLU 18 1HG GLU 18 15.036 -0.395 2.969 109 HG3 GLU 18 2HG GLU 18 13.496 -0.371 2.132 110 H GLU 19 H GLU 19 12.909 1.463 6.661 111 HA GLU 19 HA GLU 19 13.980 -1.150 7.257 112 HB2 GLU 19 1HB GLU 19 14.901 -0.192 9.200 113 HB3 GLU 19 2HB GLU 19 14.982 1.122 8.043 114 HG2 GLU 19 1HG GLU 19 12.827 2.039 8.943 115 HG3 GLU 19 2HG GLU 19 12.764 0.732 10.109 116 H GLY 20 H GLY 20 11.255 1.042 8.140 117 HA2 GLY 20 1HA GLY 20 10.101 -0.482 10.157 118 HA3 GLY 20 2HA GLY 20 9.263 0.632 9.096 119 H VAL 21 H VAL 21 10.493 -1.220 6.783 120 HA VAL 21 HA VAL 21 8.132 -2.890 6.680 121 HB VAL 21 HB VAL 21 8.752 -1.579 4.745 122 HG11 VAL 21 1HG1 VAL 21 10.908 -1.202 4.304 123 HG12 VAL 21 2HG1 VAL 21 11.418 -2.531 5.373 124 HG13 VAL 21 3HG1 VAL 21 11.010 -2.863 3.673 125 HG21 VAL 21 1HG2 VAL 21 9.452 -4.345 3.845 126 HG22 VAL 21 2HG2 VAL 21 7.892 -4.095 4.665 127 HG23 VAL 21 3HG2 VAL 21 8.274 -3.187 3.182 128 H ARG 22 H ARG 22 11.587 -3.082 7.380 129 HA ARG 22 HA ARG 22 11.401 -5.972 7.262 130 HB2 ARG 22 1HB ARG 22 13.978 -5.728 7.714 131 HB3 ARG 22 2HB ARG 22 13.369 -5.303 6.126 132 HG2 ARG 22 1HG ARG 22 13.362 -2.920 6.687 133 HG3 ARG 22 2HG ARG 22 13.726 -3.261 8.367 134 HD2 ARG 22 1HD ARG 22 15.795 -4.571 6.988 135 HD3 ARG 22 2HD ARG 22 15.554 -3.110 6.051 136 HE ARG 22 HE ARG 22 15.597 -2.513 8.887 137 HH11 ARG 22 2HH2 ARG 22 17.686 -3.258 6.155 138 HH12 ARG 22 1HH2 ARG 22 19.064 -2.448 6.823 139 HH21 ARG 22 2HH1 ARG 22 17.414 -1.444 9.769 140 HH22 ARG 22 1HH1 ARG 22 18.908 -1.409 8.892 141 H THR 23 H THR 23 11.409 -3.237 9.417 142 HA THR 23 HA THR 23 12.189 -4.902 11.701 143 HB THR 23 HB THR 23 12.493 -2.748 12.833 144 HG1 THR 23 1HG THR 23 11.385 -0.994 11.998 145 HG21 THR 23 1HG2 THR 23 13.479 -1.600 10.361 146 HG22 THR 23 2HG2 THR 23 14.422 -2.321 11.688 147 HG23 THR 23 3HG2 THR 23 13.835 -3.344 10.355 148 H GLY 24 H GLY 24 9.603 -2.516 10.800 149 HA2 GLY 24 1HA GLY 24 7.326 -3.564 11.003 150 HA3 GLY 24 2HA GLY 24 7.816 -4.003 12.628 151 H LYS 25 H LYS 25 7.659 -1.104 10.440 152 HA LYS 25 HA LYS 25 6.036 0.375 12.100 153 HB2 LYS 25 1HB LYS 25 7.706 2.010 13.039 154 HB3 LYS 25 2HB LYS 25 7.673 0.437 13.809 155 HG2 LYS 25 1HG LYS 25 9.969 0.684 13.514 156 HG3 LYS 25 2HG LYS 25 9.567 -0.153 12.028 157 HD2 LYS 25 1HD LYS 25 9.737 1.804 10.714 158 HD3 LYS 25 2HD LYS 25 9.449 2.870 12.074 159 HE2 LYS 25 1HE LYS 25 11.905 1.142 12.216 160 HE3 LYS 25 2HE LYS 25 11.927 2.442 11.040 161 HZ1 LYS 25 1HZ LYS 25 12.737 3.204 13.135 162 HZ2 LYS 25 2HZ LYS 25 11.320 3.957 12.829 163 HZ3 LYS 25 3HZ LYS 25 11.379 2.736 13.912 164 H CYS 26 H CYS 26 6.344 -0.268 9.345 165 HA CYS 26 HA CYS 26 7.306 2.243 8.213 166 HB2 CYS 26 1HB CYS 26 8.297 0.331 7.157 167 HB3 CYS 26 2HB CYS 26 6.744 -0.458 6.961 168 HG CYS 26 HG CYS 26 6.440 2.449 5.861 169 H SER 27 H SER 27 5.189 3.004 9.480 170 HA SER 27 HA SER 27 2.958 2.663 7.631 171 HB2 SER 27 1HB SER 27 1.457 2.558 9.391 172 HB3 SER 27 2HB SER 27 2.852 1.828 10.160 173 HG SER 27 HG SER 27 1.750 3.567 11.407 174 H PHE 28 H PHE 28 1.781 4.574 7.031 175 HA PHE 28 HA PHE 28 2.834 7.084 8.083 176 HB2 PHE 28 1HB PHE 28 2.419 7.594 5.379 177 HB3 PHE 28 2HB PHE 28 3.989 7.219 6.061 178 HD1 PHE 28 1HD PHE 28 4.651 4.717 6.149 179 HD2 PHE 28 2HD PHE 28 1.517 6.230 3.720 180 HE1 PHE 28 1HE PHE 28 4.800 2.681 4.689 181 HE2 PHE 28 2HE PHE 28 1.665 4.193 2.260 182 HZ PHE 28 HZ PHE 28 3.305 2.443 2.762 183 HA PRO 29 HA PRO 29 -1.302 8.340 7.819 184 HB2 PRO 29 1HB PRO 29 -1.134 11.023 7.324 185 HB3 PRO 29 2HB PRO 29 -0.883 10.323 8.912 186 HG2 PRO 29 1HG PRO 29 1.122 11.382 7.015 187 HG3 PRO 29 2HG PRO 29 1.288 11.081 8.734 188 HD2 PRO 29 1HD PRO 29 2.314 9.461 6.601 189 HD3 PRO 29 2HD PRO 29 2.378 9.101 8.315 190 H VAL 30 H VAL 30 -2.698 7.575 6.372 191 HA VAL 30 HA VAL 30 -2.663 8.960 3.809 192 HB VAL 30 HB VAL 30 -2.504 7.041 2.514 193 HG11 VAL 30 1HG1 VAL 30 -0.453 5.814 3.379 194 HG12 VAL 30 2HG1 VAL 30 -0.316 7.585 3.268 195 HG13 VAL 30 3HG1 VAL 30 -0.586 6.811 4.848 196 HG21 VAL 30 1HG2 VAL 30 -2.664 4.753 3.317 197 HG22 VAL 30 2HG2 VAL 30 -2.796 5.320 4.999 198 HG23 VAL 30 3HG2 VAL 30 -4.097 5.672 3.837 199 H LYS 31 H LYS 31 -4.705 8.084 2.491 200 HA LYS 31 HA LYS 31 -6.881 7.837 4.450 201 HB2 LYS 31 1HB LYS 31 -6.618 9.556 1.993 202 HB3 LYS 31 2HB LYS 31 -8.199 9.051 2.552 203 HG2 LYS 31 1HG LYS 31 -8.167 10.564 4.244 204 HG3 LYS 31 2HG LYS 31 -6.622 9.972 4.821 205 HD2 LYS 31 1HD LYS 31 -6.285 12.284 4.225 206 HD3 LYS 31 2HD LYS 31 -5.494 11.334 2.984 207 HE2 LYS 31 1HE LYS 31 -6.803 12.261 1.380 208 HE3 LYS 31 2HE LYS 31 -8.253 11.713 2.198 209 HZ1 LYS 31 1HZ LYS 31 -6.927 13.998 3.351 210 HZ2 LYS 31 2HZ LYS 31 -7.657 14.242 1.911 211 HZ3 LYS 31 3HZ LYS 31 -8.523 13.695 3.183 212 H TYR 32 H TYR 32 -8.558 6.374 3.985 213 HA TYR 32 HA TYR 32 -7.813 4.391 1.980 214 HB2 TYR 32 1HB TYR 32 -8.356 3.871 4.435 215 HB3 TYR 32 2HB TYR 32 -9.957 4.541 4.192 216 HD1 TYR 32 2HD TYR 32 -8.321 2.507 1.587 217 HD2 TYR 32 1HD TYR 32 -11.088 2.494 4.850 218 HE1 TYR 32 2HE TYR 32 -9.172 0.222 0.866 219 HE2 TYR 32 1HE TYR 32 -11.929 0.209 4.118 220 HH TYR 32 HH TYR 32 -11.133 -1.686 2.873 221 H LEU 33 H LEU 33 -8.578 4.856 -0.042 222 HA LEU 33 HA LEU 33 -11.001 6.315 -0.387 223 HB2 LEU 33 1HB LEU 33 -9.239 4.846 -2.353 224 HB3 LEU 33 2HB LEU 33 -10.582 5.885 -2.785 225 HG LEU 33 HG LEU 33 -8.227 6.881 -1.172 226 HD11 LEU 33 1HD1 LEU 33 -7.252 7.736 -3.237 227 HD12 LEU 33 2HD1 LEU 33 -7.381 5.962 -3.280 228 HD13 LEU 33 3HD1 LEU 33 -8.543 6.960 -4.186 229 HD21 LEU 33 1HD2 LEU 33 -10.558 8.159 -2.570 230 HD22 LEU 33 2HD2 LEU 33 -9.919 8.437 -0.932 231 HD23 LEU 33 3HD2 LEU 33 -9.038 9.059 -2.348 232 H GLY 34 H GLY 34 -9.959 2.885 -0.934 233 HA2 GLY 34 1HA GLY 34 -11.924 1.459 0.034 234 HA3 GLY 34 2HA GLY 34 -12.764 2.139 -1.345 235 H HIS 35 H HIS 35 -12.996 0.025 -2.316 236 HA HIS 35 HA HIS 35 -10.510 -0.843 -3.582 237 HB2 HIS 35 1HB HIS 35 -11.565 -3.217 -3.376 238 HB3 HIS 35 2HB HIS 35 -10.658 -2.535 -2.041 239 HD1 HIS 35 1HD HIS 35 -11.822 -3.562 -0.052 240 HD2 HIS 35 2HD HIS 35 -14.504 -1.817 -2.765 241 HE1 HIS 35 1HE HIS 35 -14.118 -3.646 1.058 242 H VAL 36 H VAL 36 -10.688 -1.284 -5.771 243 HA VAL 36 HA VAL 36 -13.416 -1.190 -6.856 244 HB VAL 36 HB VAL 36 -12.603 0.110 -8.706 245 HG11 VAL 36 1HG1 VAL 36 -12.972 1.980 -7.546 246 HG12 VAL 36 2HG1 VAL 36 -12.786 1.036 -6.048 247 HG13 VAL 36 3HG1 VAL 36 -11.380 1.864 -6.760 248 HG21 VAL 36 1HG2 VAL 36 -10.388 0.740 -9.090 249 HG22 VAL 36 2HG2 VAL 36 -9.894 0.402 -7.414 250 HG23 VAL 36 3HG2 VAL 36 -10.235 -0.943 -8.529 251 H GLU 37 H GLU 37 -13.598 -2.270 -9.028 252 HA GLU 37 HA GLU 37 -12.002 -4.669 -8.927 253 HB2 GLU 37 1HB GLU 37 -14.711 -4.007 -9.680 254 HB3 GLU 37 2HB GLU 37 -13.925 -4.749 -11.058 255 HG2 GLU 37 1HG GLU 37 -13.881 -6.802 -10.066 256 HG3 GLU 37 2HG GLU 37 -13.256 -6.153 -8.562 257 H VAL 38 H VAL 38 -10.653 -5.397 -10.628 258 HA VAL 38 HA VAL 38 -10.112 -3.344 -12.658 259 HB VAL 38 HB VAL 38 -7.853 -4.253 -12.729 260 HG11 VAL 38 1HG1 VAL 38 -7.059 -3.370 -10.639 261 HG12 VAL 38 2HG1 VAL 38 -8.485 -2.423 -11.129 262 HG13 VAL 38 3HG1 VAL 38 -8.632 -3.659 -9.857 263 HG21 VAL 38 1HG2 VAL 38 -7.524 -5.791 -10.458 264 HG22 VAL 38 2HG2 VAL 38 -9.065 -6.388 -11.119 265 HG23 VAL 38 3HG2 VAL 38 -7.599 -6.402 -12.129 266 H ASP 39 H ASP 39 -8.704 -4.775 -14.521 267 HA ASP 39 HA ASP 39 -10.486 -6.978 -15.181 268 HB2 ASP 39 1HB ASP 39 -10.702 -4.579 -16.433 269 HB3 ASP 39 2HB ASP 39 -9.396 -5.248 -17.391 270 H GLU 40 H GLU 40 -7.411 -5.164 -15.820 271 HA GLU 40 HA GLU 40 -6.244 -7.469 -17.053 272 HB2 GLU 40 1HB GLU 40 -4.860 -4.869 -16.282 273 HB3 GLU 40 2HB GLU 40 -4.333 -6.036 -17.478 274 HG2 GLU 40 1HG GLU 40 -7.052 -4.721 -17.760 275 HG3 GLU 40 2HG GLU 40 -5.612 -3.849 -18.248 276 H SER 41 H SER 41 -5.887 -5.545 -14.013 277 HA SER 41 HA SER 41 -5.336 -6.283 -12.006 278 HB2 SER 41 1HB SER 41 -5.062 -8.517 -11.484 279 HB3 SER 41 2HB SER 41 -5.818 -8.694 -13.055 280 HG SER 41 HG SER 41 -3.578 -8.778 -13.957 281 H ARG 42 H ARG 42 -3.539 -5.452 -14.592 282 HA ARG 42 HA ARG 42 -1.276 -4.921 -12.977 283 HB2 ARG 42 1HB ARG 42 0.380 -6.029 -14.517 284 HB3 ARG 42 2HB ARG 42 -0.642 -7.185 -13.687 285 HG2 ARG 42 1HG ARG 42 -2.069 -6.527 -16.049 286 HG3 ARG 42 2HG ARG 42 -0.398 -6.662 -16.560 287 HD2 ARG 42 1HD ARG 42 -0.217 -8.925 -15.791 288 HD3 ARG 42 2HD ARG 42 -1.642 -8.791 -14.780 289 HE ARG 42 HE ARG 42 -2.967 -9.301 -16.635 290 HH11 ARG 42 2HH2 ARG 42 0.181 -8.200 -17.756 291 HH12 ARG 42 1HH2 ARG 42 -0.145 -8.555 -19.420 292 HH21 ARG 42 2HH1 ARG 42 -3.398 -9.770 -18.829 293 HH22 ARG 42 1HH1 ARG 42 -2.195 -9.454 -20.034 294 H GLY 43 H GLY 43 -0.589 -2.883 -13.586 295 HA2 GLY 43 1HA GLY 43 0.052 -1.957 -16.046 296 HA3 GLY 43 2HA GLY 43 -1.680 -1.701 -15.982 297 H MET 44 H MET 44 1.209 -0.174 -15.484 298 HA MET 44 HA MET 44 1.003 1.019 -13.030 299 HB2 MET 44 1HB MET 44 2.171 1.826 -15.724 300 HB3 MET 44 2HB MET 44 2.231 2.971 -14.398 301 HG2 MET 44 1HG MET 44 4.265 1.849 -14.093 302 HG3 MET 44 2HG MET 44 3.226 0.926 -13.025 303 HE1 MET 44 1HE MET 44 4.355 1.432 -16.544 304 HE2 MET 44 2HE MET 44 4.619 -0.191 -17.226 305 HE3 MET 44 3HE MET 44 2.973 0.481 -17.140 306 H HIS 45 H HIS 45 -0.861 1.552 -15.976 307 HA HIS 45 HA HIS 45 -1.833 4.103 -15.028 308 HB2 HIS 45 1HB HIS 45 -3.027 4.199 -17.141 309 HB3 HIS 45 2HB HIS 45 -1.333 3.832 -17.398 310 HD1 HIS 45 1HD HIS 45 -0.737 1.575 -18.486 311 HD2 HIS 45 2HD HIS 45 -4.828 2.021 -17.672 312 HE1 HIS 45 1HE HIS 45 -1.918 -0.345 -19.682 313 H ILE 46 H ILE 46 -2.579 0.712 -14.810 314 HA ILE 46 HA ILE 46 -5.368 0.886 -14.591 315 HB ILE 46 HB ILE 46 -3.447 -1.117 -13.399 316 HG12 ILE 46 1HG1 ILE 46 -3.362 -0.653 -15.937 317 HG13 ILE 46 2HG1 ILE 46 -3.493 -2.311 -15.387 318 HG21 ILE 46 1HG2 ILE 46 -6.341 -0.859 -13.288 319 HG22 ILE 46 2HG2 ILE 46 -5.836 -2.387 -14.048 320 HG23 ILE 46 3HG2 ILE 46 -5.253 -1.968 -12.419 321 HD11 ILE 46 1HD1 ILE 46 -6.080 -0.864 -15.822 322 HD12 ILE 46 2HD1 ILE 46 -5.131 -1.261 -17.274 323 HD13 ILE 46 3HD1 ILE 46 -5.652 -2.556 -16.169 324 H CYS 47 H CYS 47 -2.795 0.699 -12.028 325 HA CYS 47 HA CYS 47 -4.269 0.870 -9.824 326 HB2 CYS 47 1HB CYS 47 -1.750 2.484 -10.344 327 HB3 CYS 47 2HB CYS 47 -2.413 2.112 -8.765 328 HG CYS 47 HG CYS 47 -2.585 -0.608 -9.886 329 H GLU 48 H GLU 48 -3.155 3.734 -11.784 330 HA GLU 48 HA GLU 48 -4.500 5.625 -10.331 331 HB2 GLU 48 1HB GLU 48 -3.619 5.500 -13.234 332 HB3 GLU 48 2HB GLU 48 -4.426 6.921 -12.600 333 HG2 GLU 48 1HG GLU 48 -2.595 7.580 -11.388 334 HG3 GLU 48 2HG GLU 48 -2.245 5.951 -10.844 335 H ASP 49 H ASP 49 -5.559 3.836 -13.308 336 HA ASP 49 HA ASP 49 -7.916 5.035 -13.737 337 HB2 ASP 49 1HB ASP 49 -6.684 2.486 -14.348 338 HB3 ASP 49 2HB ASP 49 -8.370 2.199 -13.967 339 H ALA 50 H ALA 50 -6.933 2.959 -11.054 340 HA ALA 50 HA ALA 50 -9.489 2.091 -10.245 341 HB1 ALA 50 1HB ALA 50 -7.199 2.522 -8.334 342 HB2 ALA 50 2HB ALA 50 -8.353 1.171 -8.433 343 HB3 ALA 50 3HB ALA 50 -7.042 1.311 -9.629 344 H VAL 51 H VAL 51 -7.317 4.734 -9.003 345 HA VAL 51 HA VAL 51 -9.004 5.775 -7.136 346 HB VAL 51 HB VAL 51 -7.241 7.386 -8.986 347 HG11 VAL 51 1HG1 VAL 51 -7.151 9.002 -7.337 348 HG12 VAL 51 2HG1 VAL 51 -8.822 8.418 -7.152 349 HG13 VAL 51 3HG1 VAL 51 -7.555 7.856 -6.036 350 HG21 VAL 51 1HG2 VAL 51 -5.626 6.840 -6.886 351 HG22 VAL 51 2HG2 VAL 51 -6.555 5.323 -6.962 352 HG23 VAL 51 3HG2 VAL 51 -5.648 5.884 -8.388 353 H LYS 52 H LYS 52 -8.711 6.930 -10.577 354 HA LYS 52 HA LYS 52 -10.683 8.741 -10.628 355 HB2 LYS 52 1HB LYS 52 -9.864 6.703 -12.705 356 HB3 LYS 52 2HB LYS 52 -11.048 7.950 -13.041 357 HG2 LYS 52 1HG LYS 52 -9.326 9.353 -13.499 358 HG3 LYS 52 2HG LYS 52 -8.944 9.346 -11.789 359 HD2 LYS 52 1HD LYS 52 -7.224 7.776 -12.026 360 HD3 LYS 52 2HD LYS 52 -7.949 7.029 -13.435 361 HE2 LYS 52 1HE LYS 52 -7.082 9.892 -13.731 362 HE3 LYS 52 2HE LYS 52 -5.807 8.698 -13.590 363 HZ1 LYS 52 1HZ LYS 52 -7.769 9.025 -15.685 364 HZ2 LYS 52 2HZ LYS 52 -6.196 8.598 -15.789 365 HZ3 LYS 52 3HZ LYS 52 -7.313 7.495 -15.340 366 H ARG 53 H ARG 53 -11.110 5.158 -10.894 367 HA ARG 53 HA ARG 53 -13.753 5.095 -11.381 368 HB2 ARG 53 1HB ARG 53 -11.805 3.240 -10.708 369 HB3 ARG 53 2HB ARG 53 -12.853 3.144 -9.307 370 HG2 ARG 53 1HG ARG 53 -14.728 2.451 -10.584 371 HG3 ARG 53 2HG ARG 53 -14.079 3.098 -12.078 372 HD2 ARG 53 1HD ARG 53 -12.874 1.196 -12.526 373 HD3 ARG 53 2HD ARG 53 -12.337 1.026 -10.867 374 HE ARG 53 HE ARG 53 -14.081 -0.480 -10.511 375 HH11 ARG 53 2HH2 ARG 53 -14.899 1.550 -13.266 376 HH12 ARG 53 1HH2 ARG 53 -16.357 0.688 -13.630 377 HH21 ARG 53 2HH1 ARG 53 -16.004 -1.617 -10.991 378 HH22 ARG 53 1HH1 ARG 53 -16.990 -1.126 -12.327 379 H LEU 54 H LEU 54 -12.127 5.200 -8.128 380 HA LEU 54 HA LEU 54 -14.545 5.311 -6.687 381 HB2 LEU 54 1HB LEU 54 -11.786 6.211 -5.851 382 HB3 LEU 54 2HB LEU 54 -13.135 5.850 -4.792 383 HG LEU 54 HG LEU 54 -12.016 3.750 -6.645 384 HD11 LEU 54 1HD1 LEU 54 -10.169 4.755 -5.273 385 HD12 LEU 54 2HD1 LEU 54 -11.044 4.222 -3.818 386 HD13 LEU 54 3HD1 LEU 54 -10.458 3.021 -4.994 387 HD21 LEU 54 1HD2 LEU 54 -13.842 2.743 -5.808 388 HD22 LEU 54 2HD2 LEU 54 -12.815 2.487 -4.376 389 HD23 LEU 54 3HD2 LEU 54 -13.955 3.854 -4.422 390 H LYS 55 H LYS 55 -12.591 7.689 -8.413 391 HA LYS 55 HA LYS 55 -13.641 9.947 -7.051 392 HB2 LYS 55 1HB LYS 55 -11.647 9.394 -9.010 393 HB3 LYS 55 2HB LYS 55 -12.734 10.584 -9.698 394 HG2 LYS 55 1HG LYS 55 -12.125 12.212 -8.193 395 HG3 LYS 55 2HG LYS 55 -12.049 11.090 -6.849 396 HD2 LYS 55 1HD LYS 55 -9.935 10.519 -8.799 397 HD3 LYS 55 2HD LYS 55 -9.861 12.189 -8.276 398 HE2 LYS 55 1HE LYS 55 -8.581 10.392 -6.866 399 HE3 LYS 55 2HE LYS 55 -9.503 11.613 -6.011 400 HZ1 LYS 55 1HZ LYS 55 -9.803 9.084 -5.532 401 HZ2 LYS 55 2HZ LYS 55 -11.065 10.116 -5.421 402 HZ3 LYS 55 3HZ LYS 55 -10.888 9.181 -6.749 403 H ALA 56 H ALA 56 -14.829 7.749 -9.488 404 HA ALA 56 HA ALA 56 -16.888 9.685 -10.261 405 HB1 ALA 56 1HB ALA 56 -15.381 7.622 -11.627 406 HB2 ALA 56 2HB ALA 56 -17.123 7.278 -11.741 407 HB3 ALA 56 3HB ALA 56 -16.486 8.842 -12.305 408 H THR 57 H THR 57 -16.213 7.022 -8.174 409 HA THR 57 HA THR 57 -18.817 5.858 -8.193 410 HB THR 57 HB THR 57 -16.358 5.033 -7.395 411 HG1 THR 57 1HG THR 57 -17.777 3.369 -7.077 412 HG21 THR 57 1HG2 THR 57 -15.930 5.270 -5.127 413 HG22 THR 57 2HG2 THR 57 -16.844 6.783 -5.334 414 HG23 THR 57 3HG2 THR 57 -17.659 5.328 -4.711 415 H GLY 58 H GLY 58 -17.464 8.765 -6.858 416 HA2 GLY 58 1HA GLY 58 -18.427 10.400 -5.648 417 HA3 GLY 58 2HA GLY 58 -19.971 9.596 -5.850 418 H LYS 59 H LYS 59 -16.829 8.989 -4.107 419 HA LYS 59 HA LYS 59 -18.450 8.389 -1.733 420 HB2 LYS 59 1HB LYS 59 -17.279 6.418 -3.060 421 HB3 LYS 59 2HB LYS 59 -15.851 6.973 -2.209 422 HG2 LYS 59 1HG LYS 59 -17.843 6.955 -0.218 423 HG3 LYS 59 2HG LYS 59 -18.199 5.527 -1.170 424 HD2 LYS 59 1HD LYS 59 -15.356 5.583 -0.857 425 HD3 LYS 59 2HD LYS 59 -16.027 5.965 0.717 426 HE2 LYS 59 1HE LYS 59 -17.673 3.898 0.042 427 HE3 LYS 59 2HE LYS 59 -16.260 3.438 -0.886 428 HZ1 LYS 59 1HZ LYS 59 -14.977 3.353 1.030 429 HZ2 LYS 59 2HZ LYS 59 -16.049 4.190 1.935 430 HZ3 LYS 59 3HZ LYS 59 -16.385 2.658 1.480 431 H LYS 60 H LYS 60 -15.788 7.919 -0.307 432 HA LYS 60 HA LYS 60 -14.513 10.492 -0.453 433 HB2 LYS 60 1HB LYS 60 -16.413 9.788 1.763 434 HB3 LYS 60 2HB LYS 60 -14.979 10.725 2.134 435 HG2 LYS 60 1HG LYS 60 -15.949 11.959 -0.189 436 HG3 LYS 60 2HG LYS 60 -17.416 11.528 0.667 437 HD2 LYS 60 1HD LYS 60 -17.110 13.254 2.101 438 HD3 LYS 60 2HD LYS 60 -15.580 12.573 2.618 439 HE2 LYS 60 1HE LYS 60 -15.422 13.886 -0.035 440 HE3 LYS 60 2HE LYS 60 -15.904 14.984 1.244 441 HZ1 LYS 60 1HZ LYS 60 -13.834 14.996 1.941 442 HZ2 LYS 60 2HZ LYS 60 -13.834 13.380 2.181 443 HZ3 LYS 60 3HZ LYS 60 -13.381 13.991 0.736 444 H ALA 61 H ALA 61 -12.930 10.507 1.709 445 HA ALA 61 HA ALA 61 -11.740 7.816 1.719 446 HB1 ALA 61 1HB ALA 61 -9.737 8.701 1.146 447 HB2 ALA 61 2HB ALA 61 -10.675 10.113 0.605 448 HB3 ALA 61 3HB ALA 61 -9.944 10.099 2.228 449 H VAL 62 H VAL 62 -10.824 7.096 3.715 450 HA VAL 62 HA VAL 62 -11.911 8.556 6.008 451 HB VAL 62 HB VAL 62 -11.219 5.685 5.455 452 HG11 VAL 62 1HG1 VAL 62 -11.622 5.182 7.848 453 HG12 VAL 62 2HG1 VAL 62 -10.160 6.165 7.594 454 HG13 VAL 62 3HG1 VAL 62 -11.653 6.928 8.193 455 HG21 VAL 62 1HG2 VAL 62 -13.486 5.253 6.049 456 HG22 VAL 62 2HG2 VAL 62 -13.696 6.887 6.723 457 HG23 VAL 62 3HG2 VAL 62 -13.505 6.667 4.967 458 H LYS 63 H LYS 63 -10.539 8.580 8.016 459 HA LYS 63 HA LYS 63 -7.778 9.112 7.221 460 HB2 LYS 63 1HB LYS 63 -9.519 10.078 9.491 461 HB3 LYS 63 2HB LYS 63 -7.777 10.259 9.533 462 HG2 LYS 63 1HG LYS 63 -8.567 11.112 6.932 463 HG3 LYS 63 2HG LYS 63 -9.746 11.803 8.029 464 HD2 LYS 63 1HD LYS 63 -8.115 13.451 8.154 465 HD3 LYS 63 2HD LYS 63 -7.575 12.424 9.468 466 HE2 LYS 63 1HE LYS 63 -5.973 11.280 7.941 467 HE3 LYS 63 2HE LYS 63 -6.536 12.254 6.598 468 HZ1 LYS 63 1HZ LYS 63 -4.601 12.909 8.430 469 HZ2 LYS 63 2HZ LYS 63 -5.194 13.855 7.239 470 HZ3 LYS 63 3HZ LYS 63 -5.848 13.919 8.733 471 H ALA 64 H ALA 64 -6.483 7.355 7.399 472 HA ALA 64 HA ALA 64 -6.417 6.035 9.978 473 HB1 ALA 64 1HB ALA 64 -6.265 3.897 8.172 474 HB2 ALA 64 2HB ALA 64 -7.621 4.270 9.262 475 HB3 ALA 64 3HB ALA 64 -7.634 4.872 7.587 476 H VAL 65 H VAL 65 -4.460 4.453 9.999 477 HA VAL 65 HA VAL 65 -2.319 5.775 8.496 478 HB VAL 65 HB VAL 65 -2.205 4.092 11.007 479 HG11 VAL 65 1HG1 VAL 65 -0.139 5.484 9.336 480 HG12 VAL 65 2HG1 VAL 65 0.083 5.407 11.101 481 HG13 VAL 65 3HG1 VAL 65 -0.071 3.906 10.157 482 HG21 VAL 65 1HG2 VAL 65 -3.415 6.368 11.121 483 HG22 VAL 65 2HG2 VAL 65 -2.111 6.054 12.291 484 HG23 VAL 65 3HG2 VAL 65 -1.804 7.083 10.871 485 H LEU 66 H LEU 66 -1.400 4.703 6.828 486 HA LEU 66 HA LEU 66 -2.119 1.918 6.476 487 HB2 LEU 66 1HB LEU 66 -2.448 3.219 4.564 488 HB3 LEU 66 2HB LEU 66 -0.916 4.052 4.740 489 HG LEU 66 HG LEU 66 0.316 2.101 4.044 490 HD11 LEU 66 1HD1 LEU 66 -0.517 -0.032 3.747 491 HD12 LEU 66 2HD1 LEU 66 -1.433 0.526 5.167 492 HD13 LEU 66 3HD1 LEU 66 -2.196 0.528 3.559 493 HD21 LEU 66 1HD2 LEU 66 -2.044 2.561 2.197 494 HD22 LEU 66 2HD2 LEU 66 -0.575 3.562 2.289 495 HD23 LEU 66 3HD2 LEU 66 -0.467 1.871 1.744 496 H TRP 67 H TRP 67 -0.879 0.324 7.287 497 HA TRP 67 HA TRP 67 1.898 0.969 7.920 498 HB2 TRP 67 1HB TRP 67 0.058 -1.261 8.790 499 HB3 TRP 67 2HB TRP 67 1.771 -1.224 9.160 500 HD1 TRP 67 HD TRP 67 -1.213 1.272 9.664 501 HE1 TRP 67 1HE TRP 67 -1.038 2.442 12.023 502 HE3 TRP 67 3HE TRP 67 3.123 -0.993 11.051 503 HZ2 TRP 67 2HZ TRP 67 0.851 2.293 14.156 504 HZ3 TRP 67 3HZ TRP 67 4.066 -0.425 13.288 505 HH2 TRP 67 HH TRP 67 3.002 1.156 14.820 506 H VAL 68 H VAL 68 3.601 -0.582 7.264 507 HA VAL 68 HA VAL 68 2.829 -2.320 5.049 508 HB VAL 68 HB VAL 68 5.122 -0.359 4.905 509 HG11 VAL 68 1HG1 VAL 68 5.769 -1.472 3.083 510 HG12 VAL 68 2HG1 VAL 68 4.545 -2.710 3.454 511 HG13 VAL 68 3HG1 VAL 68 4.139 -1.352 2.377 512 HG21 VAL 68 1HG2 VAL 68 3.397 0.471 2.972 513 HG22 VAL 68 2HG2 VAL 68 2.255 -0.038 4.238 514 HG23 VAL 68 3HG2 VAL 68 3.497 1.185 4.599 515 H SER 69 H SER 69 3.715 -4.310 5.296 516 HA SER 69 HA SER 69 6.259 -4.470 6.651 517 HB2 SER 69 1HB SER 69 3.812 -6.067 7.529 518 HB3 SER 69 2HB SER 69 5.439 -6.309 8.133 519 HG SER 69 HG SER 69 5.259 -4.588 9.414 520 H ALA 70 H ALA 70 7.135 -6.832 6.482 521 HA ALA 70 HA ALA 70 7.157 -7.598 3.829 522 HB1 ALA 70 1HB ALA 70 8.808 -8.113 5.717 523 HB2 ALA 70 2HB ALA 70 7.703 -9.426 6.192 524 HB3 ALA 70 3HB ALA 70 8.468 -9.444 4.585 525 H ASP 71 H ASP 71 4.863 -8.289 6.415 526 HA ASP 71 HA ASP 71 3.819 -10.610 5.200 527 HB2 ASP 71 1HB ASP 71 2.989 -8.741 7.425 528 HB3 ASP 71 2HB ASP 71 1.792 -9.853 6.791 529 H GLY 72 H GLY 72 3.779 -7.323 4.370 530 HA2 GLY 72 1HA GLY 72 2.560 -6.944 2.239 531 HA3 GLY 72 2HA GLY 72 1.131 -7.531 3.065 532 H LEU 73 H LEU 73 -0.226 -5.881 3.595 533 HA LEU 73 HA LEU 73 1.001 -3.505 4.794 534 HB2 LEU 73 1HB LEU 73 -1.388 -3.201 3.036 535 HB3 LEU 73 2HB LEU 73 -0.160 -2.031 3.477 536 HG LEU 73 HG LEU 73 0.395 -4.376 1.648 537 HD11 LEU 73 1HD1 LEU 73 -0.548 -3.364 -0.092 538 HD12 LEU 73 2HD1 LEU 73 -1.331 -2.266 1.069 539 HD13 LEU 73 3HD1 LEU 73 0.212 -1.805 0.310 540 HD21 LEU 73 1HD2 LEU 73 2.150 -2.736 2.949 541 HD22 LEU 73 2HD2 LEU 73 2.481 -3.588 1.422 542 HD23 LEU 73 3HD2 LEU 73 1.949 -1.889 1.396 543 H ARG 74 H ARG 74 -0.910 -2.130 5.849 544 HA ARG 74 HA ARG 74 -3.042 -3.771 6.764 545 HB2 ARG 74 1HB ARG 74 -0.687 -3.083 8.533 546 HB3 ARG 74 2HB ARG 74 -2.283 -3.091 9.257 547 HG2 ARG 74 1HG ARG 74 -2.324 -5.456 7.804 548 HG3 ARG 74 2HG ARG 74 -0.639 -5.368 8.279 549 HD2 ARG 74 1HD ARG 74 -1.579 -4.821 10.682 550 HD3 ARG 74 2HD ARG 74 -3.095 -5.452 10.068 551 HE ARG 74 HE ARG 74 -2.200 -7.609 10.166 552 HH11 ARG 74 2HH2 ARG 74 0.439 -5.281 10.186 553 HH12 ARG 74 1HH2 ARG 74 1.661 -6.476 10.462 554 HH21 ARG 74 2HH1 ARG 74 -0.587 -9.187 10.530 555 HH22 ARG 74 1HH1 ARG 74 1.074 -8.713 10.659 556 H VAL 75 H VAL 75 -4.764 -2.362 6.687 557 HA VAL 75 HA VAL 75 -4.212 0.478 6.949 558 HB VAL 75 HB VAL 75 -6.727 -1.014 6.176 559 HG11 VAL 75 1HG1 VAL 75 -7.382 1.206 5.200 560 HG12 VAL 75 2HG1 VAL 75 -7.298 1.177 6.978 561 HG13 VAL 75 3HG1 VAL 75 -5.984 1.924 6.036 562 HG21 VAL 75 1HG2 VAL 75 -4.582 0.268 4.450 563 HG22 VAL 75 2HG2 VAL 75 -4.954 -1.468 4.576 564 HG23 VAL 75 3HG2 VAL 75 -6.141 -0.354 3.856 565 H VAL 76 H VAL 76 -3.860 0.830 9.157 566 HA VAL 76 HA VAL 76 -5.784 -0.234 11.034 567 HB VAL 76 HB VAL 76 -3.171 1.216 11.158 568 HG11 VAL 76 1HG1 VAL 76 -5.310 1.243 13.268 569 HG12 VAL 76 2HG1 VAL 76 -3.599 1.150 13.750 570 HG13 VAL 76 3HG1 VAL 76 -4.177 2.525 12.778 571 HG21 VAL 76 1HG2 VAL 76 -3.605 -1.368 11.131 572 HG22 VAL 76 2HG2 VAL 76 -2.399 -0.680 12.246 573 HG23 VAL 76 3HG2 VAL 76 -4.014 -1.126 12.847 574 H ASP 77 H ASP 77 -7.054 1.132 12.476 575 HA ASP 77 HA ASP 77 -7.881 3.518 11.066 576 HB2 ASP 77 1HB ASP 77 -9.615 1.857 11.691 577 HB3 ASP 77 2HB ASP 77 -9.138 1.960 13.374 578 H GLU 78 H GLU 78 -6.590 5.264 11.762 579 HA GLU 78 HA GLU 78 -5.147 5.527 13.951 580 HB2 GLU 78 1HB GLU 78 -5.740 8.071 13.788 581 HB3 GLU 78 2HB GLU 78 -4.982 7.291 12.414 582 HG2 GLU 78 1HG GLU 78 -6.748 7.860 11.114 583 HG3 GLU 78 2HG GLU 78 -7.804 6.889 12.120 584 H LYS 79 H LYS 79 -8.692 5.733 13.776 585 HA LYS 79 HA LYS 79 -9.388 7.062 16.003 586 HB2 LYS 79 1HB LYS 79 -10.773 5.706 14.243 587 HB3 LYS 79 2HB LYS 79 -10.671 4.405 15.411 588 HG2 LYS 79 1HG LYS 79 -11.439 7.100 16.487 589 HG3 LYS 79 2HG LYS 79 -12.622 6.306 15.468 590 HD2 LYS 79 1HD LYS 79 -12.678 4.345 16.908 591 HD3 LYS 79 2HD LYS 79 -11.281 4.893 17.814 592 HE2 LYS 79 1HE LYS 79 -12.511 6.364 19.091 593 HE3 LYS 79 2HE LYS 79 -13.531 6.844 17.749 594 HZ1 LYS 79 1HZ LYS 79 -14.653 5.537 19.490 595 HZ2 LYS 79 2HZ LYS 79 -14.798 4.887 17.999 596 HZ3 LYS 79 3HZ LYS 79 -13.758 4.236 19.076 597 H THR 80 H THR 80 -9.128 3.449 16.153 598 HA THR 80 HA THR 80 -7.904 3.807 18.811 599 HB THR 80 HB THR 80 -10.348 2.944 18.656 600 HG1 THR 80 1HG THR 80 -9.716 1.830 20.491 601 HG21 THR 80 1HG2 THR 80 -10.287 0.356 18.336 602 HG22 THR 80 2HG2 THR 80 -10.309 1.345 16.856 603 HG23 THR 80 3HG2 THR 80 -8.782 0.630 17.427 604 H LYS 81 H LYS 81 -6.866 3.425 15.875 605 HA LYS 81 HA LYS 81 -5.092 2.463 14.978 606 HB2 LYS 81 1HB LYS 81 -4.634 1.832 17.870 607 HB3 LYS 81 2HB LYS 81 -3.637 1.027 16.676 608 HG2 LYS 81 1HG LYS 81 -4.048 4.051 16.724 609 HG3 LYS 81 2HG LYS 81 -2.730 3.257 17.563 610 HD2 LYS 81 1HD LYS 81 -3.250 2.910 14.575 611 HD3 LYS 81 2HD LYS 81 -2.175 4.133 15.222 612 HE2 LYS 81 1HE LYS 81 -1.858 1.167 15.864 613 HE3 LYS 81 2HE LYS 81 -1.070 1.924 14.493 614 HZ1 LYS 81 1HZ LYS 81 -0.706 2.600 17.324 615 HZ2 LYS 81 2HZ LYS 81 0.407 1.987 16.298 616 HZ3 LYS 81 3HZ LYS 81 -0.121 3.521 16.110 617 H ASP 82 H ASP 82 -7.854 1.026 15.765 618 HA ASP 82 HA ASP 82 -7.443 -1.649 15.866 619 HB2 ASP 82 1HB ASP 82 -9.613 0.074 15.507 620 HB3 ASP 82 2HB ASP 82 -9.619 -0.847 14.016 621 H LEU 83 H LEU 83 -8.531 -2.965 13.662 622 HA LEU 83 HA LEU 83 -6.655 -2.269 11.510 623 HB2 LEU 83 1HB LEU 83 -6.319 -4.414 12.858 624 HB3 LEU 83 2HB LEU 83 -7.770 -5.009 12.075 625 HG LEU 83 HG LEU 83 -5.420 -5.588 11.109 626 HD11 LEU 83 1HD1 LEU 83 -6.428 -5.445 8.738 627 HD12 LEU 83 2HD1 LEU 83 -7.272 -6.416 9.968 628 HD13 LEU 83 3HD1 LEU 83 -7.870 -4.792 9.552 629 HD21 LEU 83 1HD2 LEU 83 -4.680 -3.197 11.050 630 HD22 LEU 83 2HD2 LEU 83 -4.500 -4.070 9.509 631 HD23 LEU 83 3HD2 LEU 83 -5.846 -2.926 9.732 632 H ILE 84 H ILE 84 -7.571 -1.520 9.681 633 HA ILE 84 HA ILE 84 -10.440 -1.860 9.389 634 HB ILE 84 HB ILE 84 -8.508 -0.203 7.767 635 HG12 ILE 84 1HG1 ILE 84 -10.282 0.779 10.011 636 HG13 ILE 84 2HG1 ILE 84 -8.610 0.319 10.263 637 HG21 ILE 84 1HG2 ILE 84 -11.264 0.708 7.932 638 HG22 ILE 84 2HG2 ILE 84 -10.232 0.426 6.510 639 HG23 ILE 84 3HG2 ILE 84 -11.142 -0.923 7.231 640 HD11 ILE 84 1HD1 ILE 84 -7.773 2.118 9.044 641 HD12 ILE 84 2HD1 ILE 84 -9.209 2.211 7.997 642 HD13 ILE 84 3HD1 ILE 84 -9.278 2.839 9.661 643 H VAL 85 H VAL 85 -7.398 -2.359 7.470 644 HA VAL 85 HA VAL 85 -8.749 -4.619 6.200 645 HB VAL 85 HB VAL 85 -7.310 -2.361 4.798 646 HG11 VAL 85 1HG1 VAL 85 -8.283 -5.014 3.685 647 HG12 VAL 85 2HG1 VAL 85 -7.718 -3.637 2.709 648 HG13 VAL 85 3HG1 VAL 85 -6.595 -4.466 3.813 649 HG21 VAL 85 1HG2 VAL 85 -9.956 -3.231 3.843 650 HG22 VAL 85 2HG2 VAL 85 -9.962 -2.557 5.490 651 HG23 VAL 85 3HG2 VAL 85 -9.320 -1.595 4.137 652 H ASP 86 H ASP 86 -7.253 -6.252 5.388 653 HA ASP 86 HA ASP 86 -4.579 -5.899 6.490 654 HB2 ASP 86 1HB ASP 86 -5.485 -7.449 8.004 655 HB3 ASP 86 2HB ASP 86 -6.554 -8.153 6.807 656 H GLN 87 H GLN 87 -3.664 -5.463 4.388 657 HA GLN 87 HA GLN 87 -4.253 -7.382 2.309 658 HB2 GLN 87 1HB GLN 87 -4.191 -4.789 2.016 659 HB3 GLN 87 2HB GLN 87 -2.447 -4.957 2.041 660 HG2 GLN 87 1HG GLN 87 -3.392 -4.998 -0.285 661 HG3 GLN 87 2HG GLN 87 -2.488 -6.448 0.104 662 HE21 GLN 87 1HE2 GLN 87 -3.387 -8.171 -0.703 663 HE22 GLN 87 2HE2 GLN 87 -5.077 -8.546 -0.776 664 H THR 88 H THR 88 -2.778 -8.898 1.547 665 HA THR 88 HA THR 88 -0.214 -8.975 2.988 666 HB THR 88 HB THR 88 -1.504 -10.939 3.479 667 HG1 THR 88 1HG THR 88 -0.111 -11.679 1.033 668 HG21 THR 88 1HG2 THR 88 -2.155 -10.919 0.492 669 HG22 THR 88 2HG2 THR 88 -2.376 -12.364 1.508 670 HG23 THR 88 3HG2 THR 88 -3.303 -10.885 1.852 671 H ILE 89 H ILE 89 1.718 -8.995 1.931 672 HA ILE 89 HA ILE 89 1.903 -7.828 -0.535 673 HB ILE 89 HB ILE 89 3.625 -8.430 1.396 674 HG12 ILE 89 1HG1 ILE 89 5.452 -7.814 -0.245 675 HG13 ILE 89 2HG1 ILE 89 4.250 -7.890 -1.518 676 HG21 ILE 89 1HG2 ILE 89 3.527 -10.883 0.615 677 HG22 ILE 89 2HG2 ILE 89 4.547 -10.343 -0.740 678 HG23 ILE 89 3HG2 ILE 89 5.121 -10.157 0.934 679 HD11 ILE 89 1HD1 ILE 89 2.945 -6.110 -0.531 680 HD12 ILE 89 2HD1 ILE 89 3.889 -6.174 0.976 681 HD13 ILE 89 3HD1 ILE 89 4.642 -5.571 -0.520 682 H GLU 90 H GLU 90 1.616 -11.300 0.328 683 HA GLU 90 HA GLU 90 2.286 -12.461 -1.992 684 HB2 GLU 90 1HB GLU 90 -0.120 -13.181 -0.260 685 HB3 GLU 90 2HB GLU 90 0.668 -14.259 -1.394 686 HG2 GLU 90 1HG GLU 90 1.884 -13.042 1.126 687 HG3 GLU 90 2HG GLU 90 1.525 -14.734 0.841 688 H LYS 91 H LYS 91 -1.181 -11.685 -1.189 689 HA LYS 91 HA LYS 91 -2.178 -12.054 -3.708 690 HB2 LYS 91 1HB LYS 91 -3.021 -10.571 -1.273 691 HB3 LYS 91 2HB LYS 91 -3.828 -10.132 -2.764 692 HG2 LYS 91 1HG LYS 91 -5.079 -12.020 -2.690 693 HG3 LYS 91 2HG LYS 91 -3.635 -13.013 -2.680 694 HD2 LYS 91 1HD LYS 91 -4.825 -13.556 -0.662 695 HD3 LYS 91 2HD LYS 91 -3.456 -12.581 -0.165 696 HE2 LYS 91 1HE LYS 91 -5.030 -11.353 0.963 697 HE3 LYS 91 2HE LYS 91 -5.315 -10.604 -0.595 698 HZ1 LYS 91 1HZ LYS 91 -6.784 -12.886 -0.644 699 HZ2 LYS 91 2HZ LYS 91 -6.996 -12.325 0.875 700 HZ3 LYS 91 3HZ LYS 91 -7.357 -11.376 -0.404 701 H VAL 92 H VAL 92 -0.987 -8.957 -2.233 702 HA VAL 92 HA VAL 92 -1.435 -7.221 -4.212 703 HB VAL 92 HB VAL 92 1.026 -7.596 -2.505 704 HG11 VAL 92 1HG1 VAL 92 0.282 -5.082 -4.030 705 HG12 VAL 92 2HG1 VAL 92 1.744 -5.380 -3.058 706 HG13 VAL 92 3HG1 VAL 92 1.499 -6.255 -4.588 707 HG21 VAL 92 1HG2 VAL 92 -1.043 -7.194 -1.271 708 HG22 VAL 92 2HG2 VAL 92 0.026 -5.775 -1.171 709 HG23 VAL 92 3HG2 VAL 92 -1.378 -5.755 -2.264 710 H SER 93 H SER 93 -1.446 -7.862 -6.351 711 HA SER 93 HA SER 93 0.637 -9.456 -7.382 712 HB2 SER 93 1HB SER 93 -1.778 -8.041 -8.489 713 HB3 SER 93 2HB SER 93 -0.538 -8.537 -9.624 714 HG SER 93 HG SER 93 -1.768 -10.310 -7.690 715 H PHE 94 H PHE 94 -0.358 -5.983 -7.810 716 HA PHE 94 HA PHE 94 2.437 -5.321 -8.221 717 HB2 PHE 94 1HB PHE 94 1.345 -5.803 -10.478 718 HB3 PHE 94 2HB PHE 94 0.111 -4.613 -10.111 719 HD1 PHE 94 2HD PHE 94 3.788 -4.402 -9.563 720 HD2 PHE 94 1HD PHE 94 0.424 -2.945 -11.700 721 HE1 PHE 94 2HE PHE 94 5.215 -2.607 -10.584 722 HE2 PHE 94 1HE PHE 94 1.850 -1.150 -12.721 723 HZ PHE 94 HZ PHE 94 4.229 -1.002 -12.151 724 H CYS 95 H CYS 95 2.787 -2.906 -8.164 725 HA CYS 95 HA CYS 95 0.581 -1.377 -7.131 726 HB2 CYS 95 1HB CYS 95 2.024 -0.666 -5.111 727 HB3 CYS 95 2HB CYS 95 1.150 -2.183 -5.019 728 HG CYS 95 HG CYS 95 2.994 -3.639 -4.721 729 H ALA 96 H ALA 96 0.764 0.428 -8.415 730 HA ALA 96 HA ALA 96 3.479 1.469 -8.846 731 HB1 ALA 96 1HB ALA 96 1.660 2.194 -10.971 732 HB2 ALA 96 2HB ALA 96 3.191 1.293 -11.066 733 HB3 ALA 96 3HB ALA 96 1.665 0.426 -10.769 734 HA PRO 97 HA PRO 97 1.844 5.206 -7.413 735 HB2 PRO 97 1HB PRO 97 3.397 7.064 -8.680 736 HB3 PRO 97 2HB PRO 97 3.930 6.169 -7.271 737 HG2 PRO 97 1HG PRO 97 4.707 5.806 -10.100 738 HG3 PRO 97 2HG PRO 97 5.519 5.234 -8.656 739 HD2 PRO 97 1HD PRO 97 3.908 3.679 -10.449 740 HD3 PRO 97 2HD PRO 97 4.625 3.136 -8.945 741 H ASP 98 H ASP 98 1.564 7.734 -8.526 742 HA ASP 98 HA ASP 98 -0.340 7.081 -10.637 743 HB2 ASP 98 1HB ASP 98 -1.649 9.097 -9.773 744 HB3 ASP 98 2HB ASP 98 -1.646 7.697 -8.719 745 H ARG 99 H ARG 99 -0.953 9.415 -11.769 746 HA ARG 99 HA ARG 99 1.260 11.206 -11.776 747 HB2 ARG 99 1HB ARG 99 0.887 9.162 -13.908 748 HB3 ARG 99 2HB ARG 99 1.048 10.794 -14.525 749 HG2 ARG 99 1HG ARG 99 3.203 11.092 -13.520 750 HG3 ARG 99 2HG ARG 99 2.986 9.730 -12.439 751 HD2 ARG 99 1HD ARG 99 2.714 8.466 -14.868 752 HD3 ARG 99 2HD ARG 99 3.813 9.757 -15.313 753 HE ARG 99 HE ARG 99 5.488 8.798 -13.961 754 HH11 ARG 99 2HH2 ARG 99 2.394 7.247 -13.327 755 HH12 ARG 99 1HH2 ARG 99 3.084 5.966 -12.387 756 HH21 ARG 99 2HH1 ARG 99 6.399 7.108 -12.721 757 HH22 ARG 99 1HH1 ARG 99 5.377 5.886 -12.040 758 H ASN 100 H ASN 100 -1.154 11.923 -10.911 759 HA ASN 100 HA ASN 100 -2.030 13.733 -12.899 760 HB2 ASN 100 1HB ASN 100 -3.956 11.559 -11.921 761 HB3 ASN 100 2HB ASN 100 -4.455 12.982 -12.814 762 HD21 ASN 100 1HD2 ASN 100 -3.749 9.813 -13.074 763 HD22 ASN 100 2HD2 ASN 100 -3.275 9.693 -14.736 764 H PHE 101 H PHE 101 -2.672 11.987 -9.793 765 HA PHE 101 HA PHE 101 -3.906 14.343 -8.654 766 HB2 PHE 101 1HB PHE 101 -3.089 11.726 -7.287 767 HB3 PHE 101 2HB PHE 101 -4.413 12.784 -6.839 768 HD1 PHE 101 1HD PHE 101 -3.300 10.237 -9.244 769 HD2 PHE 101 2HD PHE 101 -6.549 12.625 -7.923 770 HE1 PHE 101 1HE PHE 101 -4.882 8.829 -10.591 771 HE2 PHE 101 2HE PHE 101 -8.131 11.217 -9.270 772 HZ PHE 101 HZ PHE 101 -7.279 9.336 -10.588 773 H ASP 102 H ASP 102 -3.154 14.602 -6.133 774 HA ASP 102 HA ASP 102 -0.463 15.500 -6.396 775 HB2 ASP 102 1HB ASP 102 -2.536 15.620 -4.166 776 HB3 ASP 102 2HB ASP 102 -0.907 16.227 -3.941 777 H ARG 103 H ARG 103 -2.366 12.976 -4.684 778 HA ARG 103 HA ARG 103 -0.023 11.457 -4.289 779 HB2 ARG 103 1HB ARG 103 -0.182 11.296 -1.800 780 HB3 ARG 103 2HB ARG 103 0.191 12.930 -2.313 781 HG2 ARG 103 1HG ARG 103 -2.556 13.041 -2.309 782 HG3 ARG 103 2HG ARG 103 -2.293 11.860 -1.041 783 HD2 ARG 103 1HD ARG 103 -1.526 13.443 0.412 784 HD3 ARG 103 2HD ARG 103 -0.426 14.113 -0.777 785 HE ARG 103 HE ARG 103 -1.963 15.836 -1.050 786 HH11 ARG 103 2HH2 ARG 103 -3.729 12.910 -0.210 787 HH12 ARG 103 1HH2 ARG 103 -5.280 13.679 -0.258 788 HH21 ARG 103 2HH1 ARG 103 -4.010 16.851 -1.113 789 HH22 ARG 103 1HH1 ARG 103 -5.441 15.936 -0.775 790 H ALA 104 H ALA 104 -1.294 9.948 -5.551 791 HA ALA 104 HA ALA 104 -3.419 8.677 -3.978 792 HB1 ALA 104 1HB ALA 104 -4.836 9.588 -5.511 793 HB2 ALA 104 2HB ALA 104 -3.536 9.888 -6.689 794 HB3 ALA 104 3HB ALA 104 -4.250 8.264 -6.546 795 H PHE 105 H PHE 105 -2.371 6.831 -3.338 796 HA PHE 105 HA PHE 105 -0.908 5.391 -5.435 797 HB2 PHE 105 1HB PHE 105 0.602 5.819 -3.636 798 HB3 PHE 105 2HB PHE 105 -0.676 5.800 -2.437 799 HD1 PHE 105 2HD PHE 105 1.182 3.531 -4.733 800 HD2 PHE 105 1HD PHE 105 -0.965 3.925 -1.095 801 HE1 PHE 105 2HE PHE 105 1.796 1.176 -4.116 802 HE2 PHE 105 1HE PHE 105 -0.351 1.571 -0.477 803 HZ PHE 105 HZ PHE 105 1.022 0.225 -1.996 804 H SER 106 H SER 106 -1.773 3.505 -6.162 805 HA SER 106 HA SER 106 -3.516 2.083 -4.327 806 HB2 SER 106 1HB SER 106 -4.207 2.397 -7.271 807 HB3 SER 106 2HB SER 106 -5.219 1.748 -5.996 808 HG SER 106 HG SER 106 -4.513 4.242 -5.232 809 H TYR 107 H TYR 107 -3.550 -0.240 -4.673 810 HA TYR 107 HA TYR 107 -1.639 -1.196 -6.684 811 HB2 TYR 107 1HB TYR 107 -0.765 -2.710 -4.881 812 HB3 TYR 107 2HB TYR 107 -0.616 -1.040 -4.369 813 HD1 TYR 107 2HD TYR 107 -3.049 -3.892 -4.159 814 HD2 TYR 107 1HD TYR 107 -1.359 -0.460 -2.243 815 HE1 TYR 107 2HE TYR 107 -4.363 -4.416 -2.047 816 HE2 TYR 107 1HE TYR 107 -2.679 -0.996 -0.137 817 HH TYR 107 HH TYR 107 -5.198 -2.634 0.041 818 H ILE 108 H ILE 108 -1.951 -3.472 -7.292 819 HA ILE 108 HA ILE 108 -4.770 -4.169 -7.090 820 HB ILE 108 HB ILE 108 -2.550 -5.168 -8.875 821 HG12 ILE 108 1HG1 ILE 108 -4.921 -3.371 -9.464 822 HG13 ILE 108 2HG1 ILE 108 -3.258 -2.842 -9.306 823 HG21 ILE 108 1HG2 ILE 108 -3.867 -7.010 -8.938 824 HG22 ILE 108 2HG2 ILE 108 -5.323 -6.131 -8.414 825 HG23 ILE 108 3HG2 ILE 108 -4.774 -6.017 -10.103 826 HD11 ILE 108 1HD1 ILE 108 -2.758 -4.658 -11.155 827 HD12 ILE 108 2HD1 ILE 108 -4.506 -4.545 -11.475 828 HD13 ILE 108 3HD1 ILE 108 -3.476 -3.102 -11.633 829 H CYS 109 H CYS 109 -5.467 -6.309 -6.470 830 HA CYS 109 HA CYS 109 -3.514 -8.069 -5.337 831 HB2 CYS 109 1HB CYS 109 -4.160 -8.000 -3.074 832 HB3 CYS 109 2HB CYS 109 -3.951 -6.321 -3.531 833 HG CYS 109 HG CYS 109 -6.240 -7.447 -2.040 834 H ARG 110 H ARG 110 -4.479 -10.197 -4.945 835 HA ARG 110 HA ARG 110 -6.795 -10.563 -6.558 836 HB2 ARG 110 1HB ARG 110 -4.919 -12.167 -6.695 837 HB3 ARG 110 2HB ARG 110 -5.051 -12.523 -4.985 838 HG2 ARG 110 1HG ARG 110 -7.074 -13.721 -5.246 839 HG3 ARG 110 2HG ARG 110 -7.476 -12.920 -6.752 840 HD2 ARG 110 1HD ARG 110 -5.916 -14.217 -8.009 841 HD3 ARG 110 2HD ARG 110 -5.005 -14.679 -6.585 842 HE ARG 110 HE ARG 110 -7.643 -15.673 -6.238 843 HH11 ARG 110 2HH2 ARG 110 -4.899 -16.179 -8.382 844 HH12 ARG 110 1HH2 ARG 110 -5.300 -17.831 -8.714 845 HH21 ARG 110 2HH1 ARG 110 -8.172 -17.853 -6.675 846 HH22 ARG 110 1HH1 ARG 110 -7.174 -18.790 -7.736 847 H ASP 111 H ASP 111 -8.621 -9.743 -5.441 848 HA ASP 111 HA ASP 111 -9.132 -9.721 -2.844 849 HB2 ASP 111 1HB ASP 111 -10.613 -8.919 -4.762 850 HB3 ASP 111 2HB ASP 111 -11.183 -10.566 -4.943 851 H GLY 112 H GLY 112 -9.096 -11.343 -1.282 852 HA2 GLY 112 1HA GLY 112 -9.551 -14.114 -2.140 853 HA3 GLY 112 2HA GLY 112 -8.754 -13.579 -0.674 854 H THR 113 H THR 113 -11.743 -11.985 -1.728 855 HA THR 113 HA THR 113 -13.106 -13.237 0.558 856 HB THR 113 HB THR 113 -14.503 -11.137 0.456 857 HG1 THR 113 1HG THR 113 -14.300 -10.140 -1.508 858 HG21 THR 113 1HG2 THR 113 -12.872 -9.635 1.336 859 HG22 THR 113 2HG2 THR 113 -12.165 -11.233 1.677 860 HG23 THR 113 3HG2 THR 113 -11.587 -10.281 0.289 861 H THR 114 H THR 114 -13.703 -12.068 -2.823 862 HA THR 114 HA THR 114 -15.994 -13.889 -2.920 863 HB THR 114 HB THR 114 -15.034 -11.577 -4.686 864 HG1 THR 114 1HG THR 114 -16.390 -10.527 -3.282 865 HG21 THR 114 1HG2 THR 114 -17.034 -13.708 -5.154 866 HG22 THR 114 2HG2 THR 114 -17.753 -12.080 -5.166 867 HG23 THR 114 3HG2 THR 114 -16.422 -12.474 -6.281 868 H ARG 115 H ARG 115 -13.960 -12.919 -5.688 869 HA ARG 115 HA ARG 115 -12.375 -15.102 -5.850 870 HB2 ARG 115 1HB ARG 115 -13.805 -16.303 -7.779 871 HB3 ARG 115 2HB ARG 115 -14.009 -16.747 -6.097 872 HG2 ARG 115 1HG ARG 115 -16.138 -15.927 -6.020 873 HG3 ARG 115 2HG ARG 115 -15.686 -14.437 -6.824 874 HD2 ARG 115 1HD ARG 115 -16.756 -15.201 -8.677 875 HD3 ARG 115 2HD ARG 115 -15.482 -16.392 -8.853 876 HE ARG 115 HE ARG 115 -17.591 -17.150 -6.943 877 HH11 ARG 115 2HH2 ARG 115 -16.486 -17.292 -10.282 878 HH12 ARG 115 1HH2 ARG 115 -17.445 -18.680 -10.674 879 HH21 ARG 115 2HH1 ARG 115 -18.855 -18.982 -7.460 880 HH22 ARG 115 1HH1 ARG 115 -18.801 -19.648 -9.058 881 H ARG 116 H ARG 116 -12.129 -12.415 -6.475 882 HA ARG 116 HA ARG 116 -11.577 -12.600 -9.281 883 HB2 ARG 116 1HB ARG 116 -12.623 -10.305 -9.693 884 HB3 ARG 116 2HB ARG 116 -13.778 -11.593 -9.411 885 HG2 ARG 116 1HG ARG 116 -14.370 -10.801 -7.290 886 HG3 ARG 116 2HG ARG 116 -12.807 -10.060 -7.007 887 HD2 ARG 116 1HD ARG 116 -14.882 -8.514 -7.510 888 HD3 ARG 116 2HD ARG 116 -13.338 -8.126 -8.243 889 HE ARG 116 HE ARG 116 -14.184 -8.746 -10.355 890 HH11 ARG 116 2HH2 ARG 116 -16.418 -9.732 -7.822 891 HH12 ARG 116 1HH2 ARG 116 -17.695 -10.127 -8.924 892 HH21 ARG 116 2HH1 ARG 116 -15.867 -9.267 -11.810 893 HH22 ARG 116 1HH1 ARG 116 -17.379 -9.861 -11.208 894 H TRP 117 H TRP 117 -10.705 -10.019 -9.813 895 HA TRP 117 HA TRP 117 -8.571 -9.723 -7.835 896 HB2 TRP 117 1HB TRP 117 -8.669 -8.456 -10.562 897 HB3 TRP 117 2HB TRP 117 -7.280 -8.727 -9.528 898 HD1 TRP 117 HD TRP 117 -9.775 -10.831 -11.660 899 HE1 TRP 117 1HE TRP 117 -8.630 -13.052 -12.509 900 HE3 TRP 117 3HE TRP 117 -5.415 -10.172 -9.128 901 HZ2 TRP 117 2HZ TRP 117 -6.086 -14.256 -12.037 902 HZ3 TRP 117 3HZ TRP 117 -3.652 -11.917 -9.377 903 HH2 TRP 117 HH TRP 117 -3.934 -13.905 -10.771 904 H ILE 118 H ILE 118 -8.225 -7.723 -6.780 905 HA ILE 118 HA ILE 118 -10.149 -5.608 -7.395 906 HB ILE 118 HB ILE 118 -9.673 -6.909 -4.723 907 HG12 ILE 118 1HG1 ILE 118 -11.480 -7.681 -6.398 908 HG13 ILE 118 2HG1 ILE 118 -11.934 -7.419 -4.726 909 HG21 ILE 118 1HG2 ILE 118 -9.415 -4.502 -4.409 910 HG22 ILE 118 2HG2 ILE 118 -10.960 -4.215 -5.245 911 HG23 ILE 118 3HG2 ILE 118 -10.937 -5.083 -3.691 912 HD11 ILE 118 1HD1 ILE 118 -12.795 -5.162 -5.280 913 HD12 ILE 118 2HD1 ILE 118 -12.291 -5.382 -6.973 914 HD13 ILE 118 3HD1 ILE 118 -13.580 -6.401 -6.288 915 H CYS 119 H CYS 119 -9.415 -3.465 -6.787 916 HA CYS 119 HA CYS 119 -6.523 -3.411 -6.315 917 HB2 CYS 119 1HB CYS 119 -7.231 -2.794 -8.668 918 HB3 CYS 119 2HB CYS 119 -8.059 -1.405 -7.992 919 HG CYS 119 HG CYS 119 -6.042 -0.280 -6.878 920 H HIS 120 H HIS 120 -5.861 -2.065 -4.624 921 HA HIS 120 HA HIS 120 -8.026 -0.633 -3.277 922 HB2 HIS 120 1HB HIS 120 -5.453 -1.854 -2.261 923 HB3 HIS 120 2HB HIS 120 -6.404 -0.734 -1.305 924 HD1 HIS 120 1HD HIS 120 -8.407 -1.667 -0.057 925 HD2 HIS 120 2HD HIS 120 -6.865 -4.343 -2.896 926 HE1 HIS 120 1HE HIS 120 -9.620 -3.881 0.315 927 H CYS 121 H CYS 121 -7.927 1.573 -3.019 928 HA CYS 121 HA CYS 121 -5.503 2.830 -4.079 929 HB2 CYS 121 1HB CYS 121 -8.183 4.206 -3.917 930 HB3 CYS 121 2HB CYS 121 -6.798 4.610 -4.911 931 HG CYS 121 HG CYS 121 -7.185 1.713 -5.647 932 H PHE 122 H PHE 122 -4.701 4.725 -2.903 933 HA PHE 122 HA PHE 122 -5.935 5.231 -0.324 934 HB2 PHE 122 1HB PHE 122 -2.994 4.451 -0.796 935 HB3 PHE 122 2HB PHE 122 -3.667 4.903 0.757 936 HD1 PHE 122 2HD PHE 122 -3.904 2.345 -1.922 937 HD2 PHE 122 1HD PHE 122 -4.645 3.289 2.149 938 HE1 PHE 122 2HE PHE 122 -4.472 -0.058 -1.467 939 HE2 PHE 122 1HE PHE 122 -5.213 0.887 2.603 940 HZ PHE 122 HZ PHE 122 -5.120 -0.758 0.789 941 H MET 123 H MET 123 -6.049 7.406 -0.048 942 HA MET 123 HA MET 123 -4.344 9.019 -1.732 943 HB2 MET 123 1HB MET 123 -7.021 9.210 -0.528 944 HB3 MET 123 2HB MET 123 -6.092 10.648 -0.155 945 HG2 MET 123 1HG MET 123 -6.021 9.635 -2.997 946 HG3 MET 123 2HG MET 123 -7.489 10.421 -2.449 947 HE1 MET 123 1HE MET 123 -6.120 11.417 -4.742 948 HE2 MET 123 2HE MET 123 -5.150 12.901 -4.587 949 HE3 MET 123 3HE MET 123 -4.379 11.309 -4.389 950 H ALA 124 H ALA 124 -2.326 9.323 -0.825 951 HA ALA 124 HA ALA 124 -1.636 9.215 1.790 952 HB1 ALA 124 1HB ALA 124 0.394 9.941 1.037 953 HB2 ALA 124 2HB ALA 124 -0.364 9.725 -0.559 954 HB3 ALA 124 3HB ALA 124 -0.304 11.340 0.187 955 H VAL 125 H VAL 125 -1.092 10.930 3.387 956 HA VAL 125 HA VAL 125 -3.218 12.923 3.392 957 HB VAL 125 HB VAL 125 -1.397 11.753 5.491 958 HG11 VAL 125 1HG1 VAL 125 -1.579 13.589 6.742 959 HG12 VAL 125 2HG1 VAL 125 -2.518 14.394 5.463 960 HG13 VAL 125 3HG1 VAL 125 -3.351 13.428 6.705 961 HG21 VAL 125 1HG2 VAL 125 -3.130 10.271 5.339 962 HG22 VAL 125 2HG2 VAL 125 -3.868 11.437 6.464 963 HG23 VAL 125 3HG2 VAL 125 -4.273 11.493 4.731 964 H LYS 126 H LYS 126 0.303 12.773 4.309 965 HA LYS 126 HA LYS 126 0.577 15.402 3.040 966 HB2 LYS 126 1HB LYS 126 2.062 16.094 4.885 967 HB3 LYS 126 2HB LYS 126 0.414 15.818 5.411 968 HG2 LYS 126 1HG LYS 126 1.203 13.400 6.007 969 HG3 LYS 126 2HG LYS 126 2.832 14.020 5.831 970 HD2 LYS 126 1HD LYS 126 1.074 15.745 7.494 971 HD3 LYS 126 2HD LYS 126 1.317 14.142 8.158 972 HE2 LYS 126 1HE LYS 126 3.854 14.518 7.724 973 HE3 LYS 126 2HE LYS 126 3.449 16.202 7.453 974 HZ1 LYS 126 1HZ LYS 126 2.726 14.731 9.890 975 HZ2 LYS 126 2HZ LYS 126 4.052 15.673 9.752 976 HZ3 LYS 126 3HZ LYS 126 2.565 16.336 9.634 977 H ASP 127 H ASP 127 1.032 12.745 1.933 978 HA ASP 127 HA ASP 127 3.888 13.049 1.521 979 HB2 ASP 127 1HB ASP 127 2.392 10.440 2.045 980 HB3 ASP 127 2HB ASP 127 4.012 10.493 1.380 981 H THR 128 H THR 128 4.449 11.427 -0.508 982 HA THR 128 HA THR 128 2.347 11.940 -2.498 983 HB THR 128 HB THR 128 4.578 13.052 -2.813 984 HG1 THR 128 1HG THR 128 3.293 12.275 -4.650 985 HG21 THR 128 1HG2 THR 128 6.580 11.824 -3.119 986 HG22 THR 128 2HG2 THR 128 5.828 10.947 -1.765 987 HG23 THR 128 3HG2 THR 128 5.709 10.301 -3.419 988 H GLY 129 H GLY 129 1.482 10.339 -3.758 989 HA2 GLY 129 1HA GLY 129 1.158 7.825 -2.801 990 HA3 GLY 129 2HA GLY 129 1.054 8.249 -4.498 991 H GLU 130 H GLU 130 3.972 9.131 -4.554 992 HA GLU 130 HA GLU 130 5.025 6.782 -5.489 993 HB2 GLU 130 1HB GLU 130 5.774 9.442 -5.475 994 HB3 GLU 130 2HB GLU 130 7.001 8.739 -4.440 995 HG2 GLU 130 1HG GLU 130 8.001 8.406 -6.515 996 HG3 GLU 130 2HG GLU 130 7.139 6.889 -6.357 997 H ARG 131 H ARG 131 6.099 8.538 -2.481 998 HA ARG 131 HA ARG 131 7.705 6.668 -1.484 999 HB2 ARG 131 1HB ARG 131 6.057 8.852 -0.377 1000 HB3 ARG 131 2HB ARG 131 6.319 7.582 0.802 1001 HG2 ARG 131 1HG ARG 131 8.386 8.430 1.180 1002 HG3 ARG 131 2HG ARG 131 8.842 7.931 -0.437 1003 HD2 ARG 131 1HD ARG 131 9.282 10.345 -0.136 1004 HD3 ARG 131 2HD ARG 131 8.047 10.107 -1.356 1005 HE ARG 131 HE ARG 131 6.724 10.377 1.151 1006 HH11 ARG 131 2HH2 ARG 131 8.664 12.322 -1.048 1007 HH12 ARG 131 1HH2 ARG 131 7.936 13.819 -0.569 1008 HH21 ARG 131 2HH1 ARG 131 5.763 12.351 1.782 1009 HH22 ARG 131 1HH1 ARG 131 6.275 13.836 1.051 1010 H LEU 132 H LEU 132 4.108 6.759 -1.308 1011 HA LEU 132 HA LEU 132 3.732 4.709 0.510 1012 HB2 LEU 132 1HB LEU 132 2.129 5.919 -1.701 1013 HB3 LEU 132 2HB LEU 132 1.554 4.442 -0.954 1014 HG LEU 132 HG LEU 132 2.039 5.893 1.273 1015 HD11 LEU 132 1HD1 LEU 132 0.845 8.059 -0.369 1016 HD12 LEU 132 2HD1 LEU 132 1.892 8.141 1.068 1017 HD13 LEU 132 3HD1 LEU 132 2.599 7.801 -0.529 1018 HD21 LEU 132 1HD2 LEU 132 -0.047 4.700 0.581 1019 HD22 LEU 132 2HD2 LEU 132 -0.322 6.238 1.435 1020 HD23 LEU 132 3HD2 LEU 132 -0.513 6.154 -0.333 1021 H SER 133 H SER 133 4.044 4.594 -3.099 1022 HA SER 133 HA SER 133 3.777 1.813 -3.184 1023 HB2 SER 133 1HB SER 133 3.352 2.733 -5.258 1024 HB3 SER 133 2HB SER 133 4.549 3.999 -5.068 1025 HG SER 133 HG SER 133 5.183 1.211 -5.541 1026 H HIS 134 H HIS 134 6.385 3.969 -2.321 1027 HA HIS 134 HA HIS 134 8.517 2.262 -3.050 1028 HB2 HIS 134 1HB HIS 134 9.735 4.046 -2.533 1029 HB3 HIS 134 2HB HIS 134 8.233 4.884 -2.195 1030 HD1 HIS 134 1HD HIS 134 10.643 2.586 -0.274 1031 HD2 HIS 134 2HD HIS 134 8.163 5.915 0.326 1032 HE1 HIS 134 1HE HIS 134 10.984 3.303 2.151 1033 H ALA 135 H ALA 135 6.059 1.988 -0.727 1034 HA ALA 135 HA ALA 135 7.757 0.588 1.185 1035 HB1 ALA 135 1HB ALA 135 6.298 1.834 2.436 1036 HB2 ALA 135 2HB ALA 135 5.049 1.844 1.168 1037 HB3 ALA 135 3HB ALA 135 5.257 0.410 2.201 1038 H VAL 136 H VAL 136 4.555 -0.026 -0.436 1039 HA VAL 136 HA VAL 136 4.289 -2.639 -0.024 1040 HB VAL 136 HB VAL 136 3.529 -2.536 -2.613 1041 HG11 VAL 136 1HG1 VAL 136 2.186 -2.840 -0.457 1042 HG12 VAL 136 2HG1 VAL 136 1.966 -1.074 -0.475 1043 HG13 VAL 136 3HG1 VAL 136 1.353 -2.061 -1.823 1044 HG21 VAL 136 1HG2 VAL 136 3.011 0.305 -1.886 1045 HG22 VAL 136 2HG2 VAL 136 4.650 -0.094 -2.454 1046 HG23 VAL 136 3HG2 VAL 136 3.241 -0.451 -3.481 1047 H GLY 137 H GLY 137 6.356 -1.181 -2.622 1048 HA2 GLY 137 1HA GLY 137 7.274 -3.561 -3.735 1049 HA3 GLY 137 2HA GLY 137 8.100 -2.016 -3.764 1050 H CYS 138 H CYS 138 8.660 -1.523 -1.063 1051 HA CYS 138 HA CYS 138 10.975 -2.875 -0.663 1052 HB2 CYS 138 1HB CYS 138 9.141 -1.400 1.215 1053 HB3 CYS 138 2HB CYS 138 10.565 -2.210 1.839 1054 HG CYS 138 HG CYS 138 12.095 -1.132 -0.225 1055 H ALA 139 H ALA 139 7.930 -3.400 1.275 1056 HA ALA 139 HA ALA 139 8.628 -5.661 2.570 1057 HB1 ALA 139 1HB ALA 139 6.276 -6.055 2.834 1058 HB2 ALA 139 2HB ALA 139 6.486 -4.291 2.716 1059 HB3 ALA 139 3HB ALA 139 5.898 -5.214 1.312 1060 H PHE 140 H PHE 140 7.457 -5.360 -0.827 1061 HA PHE 140 HA PHE 140 7.157 -8.047 -1.365 1062 HB2 PHE 140 1HB PHE 140 7.112 -5.532 -2.674 1063 HB3 PHE 140 2HB PHE 140 8.404 -6.379 -3.501 1064 HD1 PHE 140 1HD PHE 140 4.807 -6.447 -2.719 1065 HD2 PHE 140 2HD PHE 140 7.940 -8.199 -4.981 1066 HE1 PHE 140 1HE PHE 140 3.116 -7.652 -4.127 1067 HE2 PHE 140 2HE PHE 140 6.249 -9.405 -6.390 1068 HZ PHE 140 HZ PHE 140 3.856 -9.117 -5.946 1069 H ALA 141 H ALA 141 10.025 -5.974 -2.230 1070 HA ALA 141 HA ALA 141 11.650 -8.001 -3.093 1071 HB1 ALA 141 1HB ALA 141 12.259 -5.374 -1.688 1072 HB2 ALA 141 2HB ALA 141 13.510 -6.401 -2.428 1073 HB3 ALA 141 3HB ALA 141 12.227 -5.694 -3.439 1074 H ALA 142 H ALA 142 10.615 -7.181 0.176 1075 HA ALA 142 HA ALA 142 12.740 -8.655 1.430 1076 HB1 ALA 142 1HB ALA 142 11.688 -7.996 3.467 1077 HB2 ALA 142 2HB ALA 142 11.502 -6.614 2.361 1078 HB3 ALA 142 3HB ALA 142 10.129 -7.708 2.656 1079 H CYS 143 H CYS 143 9.120 -9.042 1.349 1080 HA CYS 143 HA CYS 143 9.038 -11.562 2.364 1081 HB2 CYS 143 1HB CYS 143 7.095 -10.018 1.846 1082 HB3 CYS 143 2HB CYS 143 7.190 -10.556 0.181 1083 HG CYS 143 HG CYS 143 6.686 -12.296 2.947 1084 H LEU 144 H LEU 144 9.693 -10.429 -0.989 1085 HA LEU 144 HA LEU 144 9.695 -13.046 -2.098 1086 HB2 LEU 144 1HB LEU 144 10.452 -10.302 -3.026 1087 HB3 LEU 144 2HB LEU 144 10.947 -11.698 -3.962 1088 HG LEU 144 HG LEU 144 8.137 -10.779 -3.342 1089 HD11 LEU 144 1HD1 LEU 144 7.898 -10.594 -5.729 1090 HD12 LEU 144 2HD1 LEU 144 9.354 -9.703 -5.223 1091 HD13 LEU 144 3HD1 LEU 144 9.511 -11.302 -5.990 1092 HD21 LEU 144 1HD2 LEU 144 7.624 -12.870 -4.892 1093 HD22 LEU 144 2HD2 LEU 144 9.110 -13.487 -4.130 1094 HD23 LEU 144 3HD2 LEU 144 7.725 -13.010 -3.120 1095 H GLU 145 H GLU 145 12.145 -10.811 -0.725 1096 HA GLU 145 HA GLU 145 14.412 -11.983 -1.565 1097 HB2 GLU 145 1HB GLU 145 13.604 -10.248 0.599 1098 HB3 GLU 145 2HB GLU 145 14.772 -11.395 1.223 1099 HG2 GLU 145 1HG GLU 145 15.898 -10.692 -1.228 1100 HG3 GLU 145 2HG GLU 145 15.151 -9.189 -0.723 1101 H ARG 146 H ARG 146 11.971 -13.323 0.570 1102 HA ARG 146 HA ARG 146 13.708 -15.211 1.759 1103 HB2 ARG 146 1HB ARG 146 10.808 -14.532 1.834 1104 HB3 ARG 146 2HB ARG 146 11.139 -16.236 2.072 1105 HG2 ARG 146 1HG ARG 146 11.680 -15.785 4.225 1106 HG3 ARG 146 2HG ARG 146 13.078 -14.898 3.652 1107 HD2 ARG 146 1HD ARG 146 12.155 -12.928 4.305 1108 HD3 ARG 146 2HD ARG 146 10.738 -13.220 3.316 1109 HE ARG 146 HE ARG 146 10.540 -14.848 5.660 1110 HH11 ARG 146 2HH2 ARG 146 10.427 -11.458 4.723 1111 HH12 ARG 146 1HH2 ARG 146 9.398 -10.997 6.038 1112 HH21 ARG 146 2HH1 ARG 146 9.182 -14.240 7.394 1113 HH22 ARG 146 1HH1 ARG 146 8.685 -12.590 7.567 1114 H LYS 147 H LYS 147 11.482 -15.071 -1.047 1115 HA LYS 147 HA LYS 147 11.903 -17.898 -1.578 1116 HB2 LYS 147 1HB LYS 147 10.308 -16.097 -3.364 1117 HB3 LYS 147 2HB LYS 147 10.068 -17.789 -2.978 1118 HG2 LYS 147 1HG LYS 147 9.573 -16.992 -0.548 1119 HG3 LYS 147 2HG LYS 147 9.468 -15.377 -1.219 1120 HD2 LYS 147 1HD LYS 147 7.827 -17.746 -2.233 1121 HD3 LYS 147 2HD LYS 147 7.242 -16.591 -1.052 1122 HE2 LYS 147 1HE LYS 147 6.905 -14.948 -2.626 1123 HE3 LYS 147 2HE LYS 147 8.382 -15.327 -3.489 1124 HZ1 LYS 147 1HZ LYS 147 6.089 -17.135 -3.599 1125 HZ2 LYS 147 2HZ LYS 147 6.189 -15.847 -4.598 1126 HZ3 LYS 147 3HZ LYS 147 7.336 -17.008 -4.646 1127 H GLN 148 H GLN 148 12.269 -14.719 -3.307 1128 HA GLN 148 HA GLN 148 14.419 -16.017 -4.793 1129 HB2 GLN 148 1HB GLN 148 13.894 -14.075 -6.483 1130 HB3 GLN 148 2HB GLN 148 12.856 -15.486 -6.449 1131 HG2 GLN 148 1HG GLN 148 11.134 -14.352 -5.249 1132 HG3 GLN 148 2HG GLN 148 12.217 -13.088 -4.700 1133 HE21 GLN 148 1HE2 GLN 148 12.400 -11.274 -5.817 1134 HE22 GLN 148 2HE2 GLN 148 11.726 -10.956 -7.380 1135 H LYS 149 H LYS 149 16.447 -15.262 -4.364 1136 HA LYS 149 HA LYS 149 16.904 -13.246 -2.518 1137 HB2 LYS 149 1HB LYS 149 18.564 -14.797 -4.462 1138 HB3 LYS 149 2HB LYS 149 19.274 -13.368 -3.737 1139 HG2 LYS 149 1HG LYS 149 17.838 -15.331 -1.941 1140 HG3 LYS 149 2HG LYS 149 19.433 -15.753 -2.531 1141 HD2 LYS 149 1HD LYS 149 19.863 -13.150 -1.723 1142 HD3 LYS 149 2HD LYS 149 18.630 -13.644 -0.580 1143 HE2 LYS 149 1HE LYS 149 20.010 -15.678 -0.010 1144 HE3 LYS 149 2HE LYS 149 21.256 -15.117 -1.106 1145 HZ1 LYS 149 1HZ LYS 149 20.401 -13.942 1.416 1146 HZ2 LYS 149 2HZ LYS 149 21.912 -14.273 0.894 1147 HZ3 LYS 149 3HZ LYS 149 21.102 -12.990 0.291 1148 H ARG 150 H ARG 150 17.782 -11.090 -2.754 1149 HA ARG 150 HA ARG 150 16.876 -9.911 -5.253 1150 HB2 ARG 150 1HB ARG 150 15.717 -9.076 -3.219 1151 HB3 ARG 150 2HB ARG 150 17.253 -8.661 -2.485 1152 HG2 ARG 150 1HG ARG 150 16.951 -6.595 -3.398 1153 HG3 ARG 150 2HG ARG 150 17.424 -7.331 -4.917 1154 HD2 ARG 150 1HD ARG 150 14.679 -7.986 -4.634 1155 HD3 ARG 150 2HD ARG 150 14.794 -6.324 -4.089 1156 HE ARG 150 HE ARG 150 15.465 -5.651 -6.263 1157 HH11 ARG 150 2HH2 ARG 150 15.270 -9.157 -6.040 1158 HH12 ARG 150 1HH2 ARG 150 15.365 -9.399 -7.752 1159 HH21 ARG 150 2HH1 ARG 150 15.590 -5.970 -8.523 1160 HH22 ARG 150 1HH1 ARG 150 15.548 -7.574 -9.174 1161 H SER 151 H SER 151 18.380 -8.873 -6.567 1162 HA SER 151 HA SER 151 21.083 -9.201 -5.985 1163 HB2 SER 151 1HB SER 151 19.494 -8.488 -8.220 1164 HB3 SER 151 2HB SER 151 20.573 -7.127 -7.983 1165 HG SER 151 HG SER 151 21.787 -8.476 -9.231 1166 H GLY 152 H GLY 152 22.383 -7.985 -4.664 1167 HA2 GLY 152 1HA GLY 152 21.408 -5.361 -3.800 1168 HA3 GLY 152 2HA GLY 152 22.653 -6.334 -3.044 1169 HA PRO 153 HA PRO 153 25.024 -3.310 -5.314 1170 HB2 PRO 153 1HB PRO 153 27.042 -3.062 -3.489 1171 HB3 PRO 153 2HB PRO 153 25.608 -2.056 -3.474 1172 HG2 PRO 153 1HG PRO 153 26.311 -4.307 -1.691 1173 HG3 PRO 153 2HG PRO 153 25.125 -3.041 -1.445 1174 HD2 PRO 153 1HD PRO 153 24.603 -5.756 -2.207 1175 HD3 PRO 153 2HD PRO 153 23.430 -4.461 -2.073 1176 H SER 154 H SER 154 27.435 -3.201 -5.992 1177 HA SER 154 HA SER 154 28.331 -5.960 -6.209 1178 HB2 SER 154 1HB SER 154 27.151 -5.221 -8.318 1179 HB3 SER 154 2HB SER 154 28.338 -3.945 -8.500 1180 HG SER 154 HG SER 154 29.462 -6.491 -8.109 1181 H SER 155 H SER 155 29.241 -2.538 -7.087 1182 HA SER 155 HA SER 155 31.540 -2.758 -5.411 1183 HB2 SER 155 1HB SER 155 31.961 -3.651 -7.942 1184 HB3 SER 155 2HB SER 155 32.221 -1.940 -8.215 1185 HG SER 155 HG SER 155 33.933 -3.722 -7.134 1186 H GLY 156 H GLY 156 31.207 -0.871 -4.274 1187 HA2 GLY 156 1HA GLY 156 30.824 1.298 -3.832 1188 HA3 GLY 156 2HA GLY 156 31.619 1.637 -5.356 Start of MODEL 18 1 H1 GLY 1 H GLY 1 15.231 -13.184 8.553 2 HA2 GLY 1 1HA GLY 1 17.085 -14.805 9.104 3 HA3 GLY 1 2HA GLY 1 17.449 -14.754 7.391 4 H SER 2 H SER 2 19.614 -13.966 8.213 5 HA SER 2 HA SER 2 19.501 -11.199 9.071 6 HB2 SER 2 1HB SER 2 21.782 -11.469 9.794 7 HB3 SER 2 2HB SER 2 20.909 -12.892 10.327 8 HG SER 2 HG SER 2 21.877 -14.143 8.749 9 H SER 3 H SER 3 21.450 -9.818 8.086 10 HA SER 3 HA SER 3 22.301 -10.535 5.513 11 HB2 SER 3 1HB SER 3 19.808 -9.871 5.192 12 HB3 SER 3 2HB SER 3 20.319 -8.231 5.534 13 HG SER 3 HG SER 3 21.143 -8.066 3.565 14 H GLY 4 H GLY 4 24.349 -9.917 6.363 15 HA2 GLY 4 1HA GLY 4 26.026 -8.529 6.917 16 HA3 GLY 4 2HA GLY 4 25.170 -7.294 6.016 17 H SER 5 H SER 5 26.324 -5.997 7.853 18 HA SER 5 HA SER 5 24.297 -5.540 9.842 19 HB2 SER 5 1HB SER 5 25.858 -7.152 10.922 20 HB3 SER 5 2HB SER 5 27.205 -6.082 10.590 21 HG SER 5 HG SER 5 26.739 -5.033 12.387 22 H SER 6 H SER 6 27.712 -4.671 8.907 23 HA SER 6 HA SER 6 28.663 -2.774 8.458 24 HB2 SER 6 1HB SER 6 26.272 -2.613 7.100 25 HB3 SER 6 2HB SER 6 26.192 -1.155 8.069 26 HG SER 6 HG SER 6 28.676 -1.170 7.133 27 H GLY 7 H GLY 7 28.877 -0.365 9.217 28 HA2 GLY 7 1HA GLY 7 27.934 -0.225 12.014 29 HA3 GLY 7 2HA GLY 7 29.433 0.448 11.404 30 H ALA 8 H ALA 8 25.911 0.579 10.476 31 HA ALA 8 HA ALA 8 25.601 3.272 11.087 32 HB1 ALA 8 1HB ALA 8 25.430 3.705 8.358 33 HB2 ALA 8 2HB ALA 8 26.768 4.235 9.405 34 HB3 ALA 8 3HB ALA 8 26.897 2.707 8.501 35 H SER 9 H SER 9 23.415 3.689 11.124 36 HA SER 9 HA SER 9 21.714 2.278 9.316 37 HB2 SER 9 1HB SER 9 21.995 1.485 12.178 38 HB3 SER 9 2HB SER 9 20.344 1.679 11.623 39 HG SER 9 HG SER 9 20.501 -0.118 10.462 40 H ARG 10 H ARG 10 21.036 4.346 8.589 41 HA ARG 10 HA ARG 10 19.484 5.785 10.577 42 HB2 ARG 10 1HB ARG 10 21.516 6.894 8.603 43 HB3 ARG 10 2HB ARG 10 20.207 7.907 9.178 44 HG2 ARG 10 1HG ARG 10 22.140 6.423 11.021 45 HG3 ARG 10 2HG ARG 10 22.350 8.093 10.531 46 HD2 ARG 10 1HD ARG 10 20.734 8.848 11.973 47 HD3 ARG 10 2HD ARG 10 19.632 7.545 11.574 48 HE ARG 10 HE ARG 10 20.341 6.477 13.514 49 HH11 ARG 10 2HH2 ARG 10 22.969 8.508 12.352 50 HH12 ARG 10 1HH2 ARG 10 24.026 8.113 13.666 51 HH21 ARG 10 2HH1 ARG 10 21.735 5.956 15.248 52 HH22 ARG 10 1HH1 ARG 10 23.319 6.652 15.325 53 HA PRO 11 HA PRO 11 16.471 5.695 7.424 54 HB2 PRO 11 1HB PRO 11 14.800 7.710 8.209 55 HB3 PRO 11 2HB PRO 11 14.772 6.110 8.922 56 HG2 PRO 11 1HG PRO 11 15.862 8.620 10.042 57 HG3 PRO 11 2HG PRO 11 15.441 7.137 10.876 58 HD2 PRO 11 1HD PRO 11 18.080 8.039 10.205 59 HD3 PRO 11 2HD PRO 11 17.650 6.504 10.934 60 H HIS 12 H HIS 12 14.972 7.512 6.108 61 HA HIS 12 HA HIS 12 16.341 9.781 5.340 62 HB2 HIS 12 1HB HIS 12 17.325 7.320 4.084 63 HB3 HIS 12 2HB HIS 12 16.801 8.518 2.917 64 HD1 HIS 12 1HD HIS 12 17.793 11.132 3.813 65 HD2 HIS 12 2HD HIS 12 19.983 7.632 4.554 66 HE1 HIS 12 1HE HIS 12 20.204 11.867 4.205 67 H GLN 13 H GLN 13 13.689 8.893 5.993 68 HA GLN 13 HA GLN 13 11.659 9.353 5.344 69 HB2 GLN 13 1HB GLN 13 12.726 10.163 2.607 70 HB3 GLN 13 2HB GLN 13 11.173 10.593 3.294 71 HG2 GLN 13 1HG GLN 13 13.483 11.313 5.020 72 HG3 GLN 13 2HG GLN 13 13.479 12.132 3.470 73 HE21 GLN 13 1HE2 GLN 13 12.333 12.135 6.595 74 HE22 GLN 13 2HE2 GLN 13 11.034 13.272 6.459 75 H TRP 14 H TRP 14 13.466 7.986 2.493 76 HA TRP 14 HA TRP 14 11.245 6.215 1.948 77 HB2 TRP 14 1HB TRP 14 13.904 6.644 0.578 78 HB3 TRP 14 2HB TRP 14 12.695 5.491 0.049 79 HD1 TRP 14 HD TRP 14 12.632 9.335 0.839 80 HE1 TRP 14 1HE TRP 14 11.219 10.619 -0.983 81 HE3 TRP 14 3HE TRP 14 11.363 5.207 -1.844 82 HZ2 TRP 14 2HZ TRP 14 9.761 9.783 -3.290 83 HZ3 TRP 14 3HZ TRP 14 9.942 5.528 -3.868 84 HH2 TRP 14 HH TRP 14 9.146 7.719 -4.602 85 H GLN 15 H GLN 15 14.794 5.979 2.727 86 HA GLN 15 HA GLN 15 14.982 3.310 2.964 87 HB2 GLN 15 1HB GLN 15 16.993 4.502 3.181 88 HB3 GLN 15 2HB GLN 15 16.340 5.603 4.378 89 HG2 GLN 15 1HG GLN 15 16.837 4.206 6.126 90 HG3 GLN 15 2HG GLN 15 16.307 2.776 5.264 91 HE21 GLN 15 1HE2 GLN 15 17.717 2.038 3.458 92 HE22 GLN 15 2HE2 GLN 15 19.434 2.097 3.676 93 H THR 16 H THR 16 13.721 5.650 5.398 94 HA THR 16 HA THR 16 13.489 3.892 7.541 95 HB THR 16 HB THR 16 13.275 6.387 7.628 96 HG1 THR 16 1HG THR 16 12.115 5.748 9.400 97 HG21 THR 16 1HG2 THR 16 11.132 5.849 5.690 98 HG22 THR 16 2HG2 THR 16 10.506 6.712 7.116 99 HG23 THR 16 3HG2 THR 16 11.840 7.411 6.167 100 H ASP 17 H ASP 17 11.837 3.889 4.501 101 HA ASP 17 HA ASP 17 9.573 2.511 5.617 102 HB2 ASP 17 1HB ASP 17 10.329 3.152 2.727 103 HB3 ASP 17 2HB ASP 17 8.804 2.444 3.222 104 H GLU 18 H GLU 18 12.755 1.807 4.703 105 HA GLU 18 HA GLU 18 12.100 -0.744 3.513 106 HB2 GLU 18 1HB GLU 18 14.765 0.672 3.952 107 HB3 GLU 18 2HB GLU 18 14.609 -0.904 3.202 108 HG2 GLU 18 1HG GLU 18 12.756 0.583 1.763 109 HG3 GLU 18 2HG GLU 18 13.987 1.784 2.097 110 H GLU 19 H GLU 19 13.152 0.737 6.536 111 HA GLU 19 HA GLU 19 13.942 -1.839 7.577 112 HB2 GLU 19 1HB GLU 19 14.953 -0.669 9.364 113 HB3 GLU 19 2HB GLU 19 15.215 0.382 7.986 114 HG2 GLU 19 1HG GLU 19 13.180 1.710 8.632 115 HG3 GLU 19 2HG GLU 19 12.959 0.674 10.028 116 H GLY 20 H GLY 20 11.546 0.812 8.161 117 HA2 GLY 20 1HA GLY 20 10.227 -0.272 10.344 118 HA3 GLY 20 2HA GLY 20 9.527 0.797 9.145 119 H VAL 21 H VAL 21 10.456 -1.493 7.098 120 HA VAL 21 HA VAL 21 7.881 -2.791 7.165 121 HB VAL 21 HB VAL 21 8.667 -1.970 5.071 122 HG11 VAL 21 1HG1 VAL 21 11.227 -3.117 5.950 123 HG12 VAL 21 2HG1 VAL 21 10.840 -3.448 4.244 124 HG13 VAL 21 3HG1 VAL 21 10.893 -1.770 4.836 125 HG21 VAL 21 1HG2 VAL 21 7.955 -4.667 5.514 126 HG22 VAL 21 2HG2 VAL 21 7.778 -3.722 4.016 127 HG23 VAL 21 3HG2 VAL 21 9.247 -4.689 4.289 128 H ARG 22 H ARG 22 11.137 -3.354 8.274 129 HA ARG 22 HA ARG 22 10.586 -6.196 8.430 130 HB2 ARG 22 1HB ARG 22 13.009 -6.438 8.927 131 HB3 ARG 22 2HB ARG 22 12.772 -5.539 7.442 132 HG2 ARG 22 1HG ARG 22 13.492 -3.526 8.368 133 HG3 ARG 22 2HG ARG 22 12.918 -3.928 9.974 134 HD2 ARG 22 1HD ARG 22 14.807 -5.757 9.963 135 HD3 ARG 22 2HD ARG 22 15.466 -4.866 8.605 136 HE ARG 22 HE ARG 22 14.833 -3.123 10.857 137 HH11 ARG 22 2HH2 ARG 22 17.257 -5.310 9.545 138 HH12 ARG 22 1HH2 ARG 22 18.568 -4.584 10.413 139 HH21 ARG 22 2HH1 ARG 22 16.561 -2.164 12.004 140 HH22 ARG 22 1HH1 ARG 22 18.169 -2.782 11.822 141 H THR 23 H THR 23 10.839 -3.221 10.281 142 HA THR 23 HA THR 23 11.058 -4.672 12.808 143 HB THR 23 HB THR 23 11.485 -2.441 13.727 144 HG1 THR 23 1HG THR 23 10.690 -0.698 12.575 145 HG21 THR 23 1HG2 THR 23 12.785 -2.006 11.062 146 HG22 THR 23 2HG2 THR 23 13.511 -1.998 12.687 147 HG23 THR 23 3HG2 THR 23 13.181 -3.543 11.867 148 H GLY 24 H GLY 24 8.973 -1.966 11.580 149 HA2 GLY 24 1HA GLY 24 6.538 -2.816 11.523 150 HA3 GLY 24 2HA GLY 24 6.803 -3.063 13.237 151 H LYS 25 H LYS 25 7.551 -0.470 10.787 152 HA LYS 25 HA LYS 25 5.898 1.401 12.135 153 HB2 LYS 25 1HB LYS 25 7.751 2.964 12.776 154 HB3 LYS 25 2HB LYS 25 7.611 1.533 13.777 155 HG2 LYS 25 1HG LYS 25 9.857 1.316 13.385 156 HG3 LYS 25 2HG LYS 25 9.347 0.601 11.869 157 HD2 LYS 25 1HD LYS 25 9.694 2.631 10.651 158 HD3 LYS 25 2HD LYS 25 9.710 3.608 12.106 159 HE2 LYS 25 1HE LYS 25 11.811 1.452 11.726 160 HE3 LYS 25 2HE LYS 25 11.994 2.993 10.912 161 HZ1 LYS 25 1HZ LYS 25 11.648 4.015 13.144 162 HZ2 LYS 25 2HZ LYS 25 11.794 2.526 13.798 163 HZ3 LYS 25 3HZ LYS 25 13.042 3.182 12.973 164 H CYS 26 H CYS 26 6.342 0.152 9.483 165 HA CYS 26 HA CYS 26 7.348 2.428 7.970 166 HB2 CYS 26 1HB CYS 26 8.310 0.314 7.317 167 HB3 CYS 26 2HB CYS 26 6.730 -0.428 7.157 168 HG CYS 26 HG CYS 26 6.689 2.299 5.603 169 H SER 27 H SER 27 5.100 3.219 9.205 170 HA SER 27 HA SER 27 3.021 2.808 7.199 171 HB2 SER 27 1HB SER 27 1.351 2.868 8.866 172 HB3 SER 27 2HB SER 27 2.618 1.903 9.596 173 HG SER 27 HG SER 27 3.351 4.200 10.419 174 H PHE 28 H PHE 28 1.622 4.729 6.784 175 HA PHE 28 HA PHE 28 2.712 7.244 7.754 176 HB2 PHE 28 1HB PHE 28 2.285 7.790 5.081 177 HB3 PHE 28 2HB PHE 28 3.855 7.337 5.713 178 HD1 PHE 28 1HD PHE 28 4.421 4.811 5.723 179 HD2 PHE 28 2HD PHE 28 1.285 6.502 3.417 180 HE1 PHE 28 1HE PHE 28 4.451 2.807 4.212 181 HE2 PHE 28 2HE PHE 28 1.316 4.498 1.906 182 HZ PHE 28 HZ PHE 28 2.898 2.675 2.321 183 HA PRO 29 HA PRO 29 -1.435 8.473 7.536 184 HB2 PRO 29 1HB PRO 29 -1.307 11.143 6.964 185 HB3 PRO 29 2HB PRO 29 -1.011 10.490 8.563 186 HG2 PRO 29 1HG PRO 29 0.937 11.516 6.591 187 HG3 PRO 29 2HG PRO 29 1.147 11.264 8.313 188 HD2 PRO 29 1HD PRO 29 2.139 9.595 6.201 189 HD3 PRO 29 2HD PRO 29 2.248 9.284 7.922 190 H VAL 30 H VAL 30 -2.881 7.685 6.153 191 HA VAL 30 HA VAL 30 -2.893 8.978 3.542 192 HB VAL 30 HB VAL 30 -2.707 7.050 2.309 193 HG11 VAL 30 1HG1 VAL 30 -0.926 6.577 4.722 194 HG12 VAL 30 2HG1 VAL 30 -0.730 5.797 3.134 195 HG13 VAL 30 3HG1 VAL 30 -0.543 7.561 3.289 196 HG21 VAL 30 1HG2 VAL 30 -3.211 5.373 4.791 197 HG22 VAL 30 2HG2 VAL 30 -4.426 5.772 3.552 198 HG23 VAL 30 3HG2 VAL 30 -3.014 4.776 3.126 199 H LYS 31 H LYS 31 -4.970 7.954 2.304 200 HA LYS 31 HA LYS 31 -7.101 7.781 4.316 201 HB2 LYS 31 1HB LYS 31 -6.926 9.533 1.866 202 HB3 LYS 31 2HB LYS 31 -8.475 9.064 2.538 203 HG2 LYS 31 1HG LYS 31 -8.280 10.556 4.240 204 HG3 LYS 31 2HG LYS 31 -6.700 9.939 4.681 205 HD2 LYS 31 1HD LYS 31 -6.259 12.187 4.072 206 HD3 LYS 31 2HD LYS 31 -5.788 11.282 2.647 207 HE2 LYS 31 1HE LYS 31 -8.001 11.753 1.597 208 HE3 LYS 31 2HE LYS 31 -8.511 12.619 3.032 209 HZ1 LYS 31 1HZ LYS 31 -6.155 13.366 1.445 210 HZ2 LYS 31 2HZ LYS 31 -7.631 14.039 1.255 211 HZ3 LYS 31 3HZ LYS 31 -6.826 14.222 2.663 212 H TYR 32 H TYR 32 -8.510 6.103 4.053 213 HA TYR 32 HA TYR 32 -7.907 4.226 1.964 214 HB2 TYR 32 1HB TYR 32 -8.502 3.727 4.409 215 HB3 TYR 32 2HB TYR 32 -10.088 4.419 4.135 216 HD1 TYR 32 2HD TYR 32 -8.479 2.374 1.534 217 HD2 TYR 32 1HD TYR 32 -11.218 2.364 4.820 218 HE1 TYR 32 2HE TYR 32 -9.349 0.097 0.811 219 HE2 TYR 32 1HE TYR 32 -12.079 0.088 4.087 220 HH TYR 32 HH TYR 32 -12.191 -1.273 2.211 221 H LEU 33 H LEU 33 -8.668 4.563 -0.073 222 HA LEU 33 HA LEU 33 -11.085 6.065 -0.458 223 HB2 LEU 33 1HB LEU 33 -9.311 4.641 -2.447 224 HB3 LEU 33 2HB LEU 33 -10.595 5.772 -2.828 225 HG LEU 33 HG LEU 33 -8.218 6.562 -1.138 226 HD11 LEU 33 1HD1 LEU 33 -8.066 5.746 -3.813 227 HD12 LEU 33 2HD1 LEU 33 -8.067 7.525 -3.862 228 HD13 LEU 33 3HD1 LEU 33 -6.853 6.662 -2.886 229 HD21 LEU 33 1HD2 LEU 33 -9.791 8.215 -0.857 230 HD22 LEU 33 2HD2 LEU 33 -8.904 8.824 -2.275 231 HD23 LEU 33 3HD2 LEU 33 -10.470 8.005 -2.490 232 H GLY 34 H GLY 34 -9.956 2.680 -1.130 233 HA2 GLY 34 1HA GLY 34 -11.887 1.169 -0.212 234 HA3 GLY 34 2HA GLY 34 -12.741 1.883 -1.565 235 H HIS 35 H HIS 35 -12.925 -0.159 -2.663 236 HA HIS 35 HA HIS 35 -10.420 -0.922 -3.950 237 HB2 HIS 35 1HB HIS 35 -11.416 -3.335 -3.830 238 HB3 HIS 35 2HB HIS 35 -10.495 -2.682 -2.489 239 HD1 HIS 35 1HD HIS 35 -11.588 -3.800 -0.511 240 HD2 HIS 35 2HD HIS 35 -14.375 -2.041 -3.106 241 HE1 HIS 35 1HE HIS 35 -13.855 -3.985 0.644 242 H VAL 36 H VAL 36 -10.745 -1.968 -6.076 243 HA VAL 36 HA VAL 36 -13.432 -1.661 -7.157 244 HB VAL 36 HB VAL 36 -12.646 -0.378 -9.045 245 HG11 VAL 36 1HG1 VAL 36 -11.966 0.815 -6.342 246 HG12 VAL 36 2HG1 VAL 36 -12.036 1.763 -7.847 247 HG13 VAL 36 3HG1 VAL 36 -13.496 0.942 -7.243 248 HG21 VAL 36 1HG2 VAL 36 -10.485 0.078 -9.559 249 HG22 VAL 36 2HG2 VAL 36 -10.008 0.282 -7.856 250 HG23 VAL 36 3HG2 VAL 36 -10.166 -1.351 -8.546 251 H GLU 37 H GLU 37 -13.540 -2.676 -9.415 252 HA GLU 37 HA GLU 37 -11.875 -5.050 -9.315 253 HB2 GLU 37 1HB GLU 37 -14.572 -4.867 -9.509 254 HB3 GLU 37 2HB GLU 37 -14.184 -4.836 -11.218 255 HG2 GLU 37 1HG GLU 37 -12.813 -6.932 -10.916 256 HG3 GLU 37 2HG GLU 37 -13.285 -6.974 -9.229 257 H VAL 38 H VAL 38 -10.003 -4.790 -10.479 258 HA VAL 38 HA VAL 38 -9.770 -2.987 -12.616 259 HB VAL 38 HB VAL 38 -7.608 -4.163 -12.983 260 HG11 VAL 38 1HG1 VAL 38 -6.716 -3.666 -10.630 261 HG12 VAL 38 2HG1 VAL 38 -7.533 -2.339 -11.490 262 HG13 VAL 38 3HG1 VAL 38 -8.392 -3.234 -10.214 263 HG21 VAL 38 1HG2 VAL 38 -7.550 -6.337 -12.421 264 HG22 VAL 38 2HG2 VAL 38 -7.287 -5.763 -10.757 265 HG23 VAL 38 3HG2 VAL 38 -8.928 -6.181 -11.305 266 H ASP 39 H ASP 39 -8.512 -4.314 -14.704 267 HA ASP 39 HA ASP 39 -10.516 -6.231 -15.575 268 HB2 ASP 39 1HB ASP 39 -10.207 -3.576 -16.562 269 HB3 ASP 39 2HB ASP 39 -9.493 -4.609 -17.784 270 H GLU 40 H GLU 40 -7.297 -4.640 -16.009 271 HA GLU 40 HA GLU 40 -6.390 -6.954 -17.496 272 HB2 GLU 40 1HB GLU 40 -4.808 -4.423 -16.906 273 HB3 GLU 40 2HB GLU 40 -4.503 -5.607 -18.162 274 HG2 GLU 40 1HG GLU 40 -7.225 -4.621 -18.431 275 HG3 GLU 40 2HG GLU 40 -6.130 -3.256 -18.327 276 H SER 41 H SER 41 -6.295 -5.470 -14.329 277 HA SER 41 HA SER 41 -5.418 -6.092 -12.443 278 HB2 SER 41 1HB SER 41 -4.784 -8.633 -13.990 279 HB3 SER 41 2HB SER 41 -4.348 -8.453 -12.302 280 HG SER 41 HG SER 41 -6.612 -9.376 -13.092 281 H ARG 42 H ARG 42 -3.779 -5.053 -14.992 282 HA ARG 42 HA ARG 42 -1.403 -4.710 -13.498 283 HB2 ARG 42 1HB ARG 42 0.130 -5.662 -15.257 284 HB3 ARG 42 2HB ARG 42 -0.843 -6.892 -14.475 285 HG2 ARG 42 1HG ARG 42 -1.273 -7.515 -16.652 286 HG3 ARG 42 2HG ARG 42 -2.528 -6.300 -16.515 287 HD2 ARG 42 1HD ARG 42 -1.562 -5.308 -18.328 288 HD3 ARG 42 2HD ARG 42 -0.313 -4.763 -17.226 289 HE ARG 42 HE ARG 42 0.166 -7.479 -18.182 290 HH11 ARG 42 2HH2 ARG 42 0.553 -4.070 -18.967 291 HH12 ARG 42 1HH2 ARG 42 1.888 -4.337 -20.038 292 HH21 ARG 42 2HH1 ARG 42 1.927 -7.831 -19.596 293 HH22 ARG 42 1HH1 ARG 42 2.675 -6.490 -20.398 294 H GLY 43 H GLY 43 -0.421 -2.752 -14.113 295 HA2 GLY 43 1HA GLY 43 0.000 -1.535 -16.395 296 HA3 GLY 43 2HA GLY 43 -1.734 -1.307 -16.296 297 H MET 44 H MET 44 1.084 0.272 -15.757 298 HA MET 44 HA MET 44 0.873 1.234 -13.178 299 HB2 MET 44 1HB MET 44 1.982 2.487 -15.749 300 HB3 MET 44 2HB MET 44 2.259 3.172 -14.160 301 HG2 MET 44 1HG MET 44 3.757 1.515 -13.548 302 HG3 MET 44 2HG MET 44 2.892 0.259 -14.411 303 HE1 MET 44 1HE MET 44 4.116 0.465 -18.005 304 HE2 MET 44 2HE MET 44 3.482 -0.587 -16.717 305 HE3 MET 44 3HE MET 44 2.556 0.842 -17.234 306 H HIS 45 H HIS 45 -1.033 1.889 -16.036 307 HA HIS 45 HA HIS 45 -1.981 4.409 -14.963 308 HB2 HIS 45 1HB HIS 45 -3.192 4.610 -17.068 309 HB3 HIS 45 2HB HIS 45 -1.490 4.293 -17.341 310 HD1 HIS 45 1HD HIS 45 -0.843 2.098 -18.535 311 HD2 HIS 45 2HD HIS 45 -4.950 2.450 -17.758 312 HE1 HIS 45 1HE HIS 45 -1.982 0.235 -19.854 313 H ILE 46 H ILE 46 -2.704 1.015 -14.902 314 HA ILE 46 HA ILE 46 -5.501 1.169 -14.680 315 HB ILE 46 HB ILE 46 -3.592 -0.902 -13.590 316 HG12 ILE 46 1HG1 ILE 46 -3.501 -0.241 -16.116 317 HG13 ILE 46 2HG1 ILE 46 -3.514 -1.929 -15.645 318 HG21 ILE 46 1HG2 ILE 46 -5.668 -2.374 -14.053 319 HG22 ILE 46 2HG2 ILE 46 -5.635 -1.368 -12.585 320 HG23 ILE 46 3HG2 ILE 46 -6.572 -0.842 -14.004 321 HD11 ILE 46 1HD1 ILE 46 -5.788 -2.223 -16.249 322 HD12 ILE 46 2HD1 ILE 46 -6.121 -0.476 -16.197 323 HD13 ILE 46 3HD1 ILE 46 -5.153 -1.159 -17.526 324 H CYS 47 H CYS 47 -2.981 0.678 -12.100 325 HA CYS 47 HA CYS 47 -4.512 0.820 -9.926 326 HB2 CYS 47 1HB CYS 47 -1.802 2.116 -10.345 327 HB3 CYS 47 2HB CYS 47 -2.560 1.937 -8.776 328 HG CYS 47 HG CYS 47 -0.615 0.085 -9.618 329 H GLU 48 H GLU 48 -3.056 3.704 -11.617 330 HA GLU 48 HA GLU 48 -4.272 5.604 -10.077 331 HB2 GLU 48 1HB GLU 48 -3.140 5.523 -12.861 332 HB3 GLU 48 2HB GLU 48 -4.081 6.933 -12.417 333 HG2 GLU 48 1HG GLU 48 -1.680 7.286 -11.917 334 HG3 GLU 48 2HG GLU 48 -2.632 7.325 -10.446 335 H ASP 49 H ASP 49 -5.373 4.276 -13.281 336 HA ASP 49 HA ASP 49 -7.616 5.690 -13.600 337 HB2 ASP 49 1HB ASP 49 -6.608 3.080 -14.438 338 HB3 ASP 49 2HB ASP 49 -8.346 3.002 -14.225 339 H ALA 50 H ALA 50 -6.934 3.079 -11.273 340 HA ALA 50 HA ALA 50 -9.543 2.366 -10.605 341 HB1 ALA 50 1HB ALA 50 -7.287 2.441 -8.602 342 HB2 ALA 50 2HB ALA 50 -8.542 1.202 -8.842 343 HB3 ALA 50 3HB ALA 50 -7.200 1.347 -10.002 344 H VAL 51 H VAL 51 -7.285 4.740 -9.025 345 HA VAL 51 HA VAL 51 -8.877 5.660 -7.058 346 HB VAL 51 HB VAL 51 -7.123 7.309 -8.890 347 HG11 VAL 51 1HG1 VAL 51 -7.034 8.963 -7.258 348 HG12 VAL 51 2HG1 VAL 51 -8.738 8.453 -7.186 349 HG13 VAL 51 3HG1 VAL 51 -7.581 7.867 -5.967 350 HG21 VAL 51 1HG2 VAL 51 -5.633 5.716 -8.184 351 HG22 VAL 51 2HG2 VAL 51 -5.530 6.842 -6.809 352 HG23 VAL 51 3HG2 VAL 51 -6.531 5.375 -6.686 353 H LYS 52 H LYS 52 -8.758 7.136 -10.384 354 HA LYS 52 HA LYS 52 -10.763 8.910 -10.147 355 HB2 LYS 52 1HB LYS 52 -9.812 7.206 -12.430 356 HB3 LYS 52 2HB LYS 52 -11.217 8.228 -12.651 357 HG2 LYS 52 1HG LYS 52 -9.716 9.881 -13.124 358 HG3 LYS 52 2HG LYS 52 -9.488 9.979 -11.389 359 HD2 LYS 52 1HD LYS 52 -7.279 9.700 -12.124 360 HD3 LYS 52 2HD LYS 52 -7.725 8.047 -11.750 361 HE2 LYS 52 1HE LYS 52 -6.799 7.798 -13.893 362 HE3 LYS 52 2HE LYS 52 -8.504 7.937 -14.273 363 HZ1 LYS 52 1HZ LYS 52 -7.331 9.409 -15.653 364 HZ2 LYS 52 2HZ LYS 52 -8.096 10.348 -14.557 365 HZ3 LYS 52 3HZ LYS 52 -6.493 10.068 -14.416 366 H ARG 53 H ARG 53 -11.041 5.357 -10.389 367 HA ARG 53 HA ARG 53 -13.750 5.293 -10.922 368 HB2 ARG 53 1HB ARG 53 -11.770 3.416 -10.690 369 HB3 ARG 53 2HB ARG 53 -12.589 3.150 -9.164 370 HG2 ARG 53 1HG ARG 53 -14.684 2.651 -10.250 371 HG3 ARG 53 2HG ARG 53 -14.132 3.292 -11.785 372 HD2 ARG 53 1HD ARG 53 -12.237 1.283 -11.097 373 HD3 ARG 53 2HD ARG 53 -13.798 0.598 -10.688 374 HE ARG 53 HE ARG 53 -12.792 1.044 -13.346 375 HH11 ARG 53 2HH2 ARG 53 -15.770 1.238 -11.481 376 HH12 ARG 53 1HH2 ARG 53 -16.796 0.977 -12.852 377 HH21 ARG 53 2HH1 ARG 53 -14.145 0.699 -15.155 378 HH22 ARG 53 1HH1 ARG 53 -15.866 0.668 -14.955 379 H LEU 54 H LEU 54 -11.972 4.842 -7.769 380 HA LEU 54 HA LEU 54 -14.302 4.817 -6.210 381 HB2 LEU 54 1HB LEU 54 -11.456 5.485 -5.445 382 HB3 LEU 54 2HB LEU 54 -12.756 5.115 -4.329 383 HG LEU 54 HG LEU 54 -11.955 3.135 -6.453 384 HD11 LEU 54 1HD1 LEU 54 -10.220 2.241 -5.209 385 HD12 LEU 54 2HD1 LEU 54 -9.975 3.993 -5.003 386 HD13 LEU 54 3HD1 LEU 54 -10.740 3.042 -3.706 387 HD21 LEU 54 1HD2 LEU 54 -13.462 1.827 -5.486 388 HD22 LEU 54 2HD2 LEU 54 -12.695 2.041 -3.894 389 HD23 LEU 54 3HD2 LEU 54 -13.931 3.195 -4.448 390 H LYS 55 H LYS 55 -12.763 7.336 -7.957 391 HA LYS 55 HA LYS 55 -13.641 9.403 -6.124 392 HB2 LYS 55 1HB LYS 55 -11.965 9.310 -8.615 393 HB3 LYS 55 2HB LYS 55 -12.694 10.827 -8.126 394 HG2 LYS 55 1HG LYS 55 -11.686 9.994 -5.714 395 HG3 LYS 55 2HG LYS 55 -10.530 9.243 -6.797 396 HD2 LYS 55 1HD LYS 55 -10.362 11.566 -7.961 397 HD3 LYS 55 2HD LYS 55 -11.214 12.202 -6.568 398 HE2 LYS 55 1HE LYS 55 -9.451 11.530 -5.054 399 HE3 LYS 55 2HE LYS 55 -8.694 10.516 -6.266 400 HZ1 LYS 55 1HZ LYS 55 -8.823 13.442 -6.230 401 HZ2 LYS 55 2HZ LYS 55 -7.493 12.496 -6.199 402 HZ3 LYS 55 3HZ LYS 55 -8.383 12.609 -7.564 403 H ALA 56 H ALA 56 -14.821 7.539 -8.801 404 HA ALA 56 HA ALA 56 -16.894 9.561 -9.295 405 HB1 ALA 56 1HB ALA 56 -16.992 7.469 -11.220 406 HB2 ALA 56 2HB ALA 56 -16.460 9.150 -11.460 407 HB3 ALA 56 3HB ALA 56 -15.277 7.897 -11.015 408 H THR 57 H THR 57 -16.225 6.862 -7.443 409 HA THR 57 HA THR 57 -18.599 5.349 -7.876 410 HB THR 57 HB THR 57 -16.196 4.829 -6.752 411 HG1 THR 57 1HG THR 57 -17.479 3.023 -6.796 412 HG21 THR 57 1HG2 THR 57 -16.114 5.021 -4.436 413 HG22 THR 57 2HG2 THR 57 -17.146 6.436 -4.753 414 HG23 THR 57 3HG2 THR 57 -17.881 4.889 -4.266 415 H GLY 58 H GLY 58 -17.874 8.328 -6.213 416 HA2 GLY 58 1HA GLY 58 -19.333 9.775 -5.255 417 HA3 GLY 58 2HA GLY 58 -20.640 8.635 -5.509 418 H LYS 59 H LYS 59 -17.503 8.471 -3.668 419 HA LYS 59 HA LYS 59 -19.096 7.970 -1.260 420 HB2 LYS 59 1HB LYS 59 -17.939 5.911 -2.550 421 HB3 LYS 59 2HB LYS 59 -16.566 6.434 -1.596 422 HG2 LYS 59 1HG LYS 59 -17.803 6.193 0.482 423 HG3 LYS 59 2HG LYS 59 -19.320 5.983 -0.369 424 HD2 LYS 59 1HD LYS 59 -18.074 3.914 -1.493 425 HD3 LYS 59 2HD LYS 59 -17.013 4.040 -0.104 426 HE2 LYS 59 1HE LYS 59 -19.343 4.150 1.237 427 HE3 LYS 59 2HE LYS 59 -19.949 3.341 -0.194 428 HZ1 LYS 59 1HZ LYS 59 -19.042 1.488 0.528 429 HZ2 LYS 59 2HZ LYS 59 -17.550 2.150 0.568 430 HZ3 LYS 59 3HZ LYS 59 -18.516 2.234 1.882 431 H LYS 60 H LYS 60 -16.325 7.441 0.038 432 HA LYS 60 HA LYS 60 -14.999 9.964 -0.239 433 HB2 LYS 60 1HB LYS 60 -15.435 10.859 1.920 434 HB3 LYS 60 2HB LYS 60 -16.988 10.526 1.179 435 HG2 LYS 60 1HG LYS 60 -16.440 8.117 2.458 436 HG3 LYS 60 2HG LYS 60 -15.726 9.278 3.560 437 HD2 LYS 60 1HD LYS 60 -18.078 10.556 3.085 438 HD3 LYS 60 2HD LYS 60 -18.606 8.912 2.785 439 HE2 LYS 60 1HE LYS 60 -18.502 8.349 5.000 440 HE3 LYS 60 2HE LYS 60 -16.941 9.117 5.215 441 HZ1 LYS 60 1HZ LYS 60 -18.013 10.733 6.226 442 HZ2 LYS 60 2HZ LYS 60 -18.742 11.145 4.824 443 HZ3 LYS 60 3HZ LYS 60 -19.477 10.113 5.854 444 H ALA 61 H ALA 61 -13.283 10.040 1.764 445 HA ALA 61 HA ALA 61 -12.192 7.311 1.866 446 HB1 ALA 61 1HB ALA 61 -10.395 9.645 2.262 447 HB2 ALA 61 2HB ALA 61 -10.140 8.148 1.334 448 HB3 ALA 61 3HB ALA 61 -11.091 9.479 0.633 449 H VAL 62 H VAL 62 -10.866 6.841 3.845 450 HA VAL 62 HA VAL 62 -12.031 8.252 6.144 451 HB VAL 62 HB VAL 62 -11.253 5.383 5.672 452 HG11 VAL 62 1HG1 VAL 62 -10.273 5.605 7.753 453 HG12 VAL 62 2HG1 VAL 62 -11.401 6.881 8.271 454 HG13 VAL 62 3HG1 VAL 62 -11.944 5.187 8.203 455 HG21 VAL 62 1HG2 VAL 62 -13.687 6.785 5.591 456 HG22 VAL 62 2HG2 VAL 62 -13.454 5.020 5.580 457 HG23 VAL 62 3HG2 VAL 62 -13.717 5.874 7.120 458 H LYS 63 H LYS 63 -10.631 8.669 7.976 459 HA LYS 63 HA LYS 63 -7.903 9.127 7.096 460 HB2 LYS 63 1HB LYS 63 -9.608 10.158 9.359 461 HB3 LYS 63 2HB LYS 63 -7.868 10.362 9.379 462 HG2 LYS 63 1HG LYS 63 -8.710 11.089 6.748 463 HG3 LYS 63 2HG LYS 63 -9.862 11.828 7.842 464 HD2 LYS 63 1HD LYS 63 -8.184 13.467 7.762 465 HD3 LYS 63 2HD LYS 63 -7.732 12.581 9.205 466 HE2 LYS 63 1HE LYS 63 -6.225 11.135 7.660 467 HE3 LYS 63 2HE LYS 63 -6.507 12.345 6.424 468 HZ1 LYS 63 1HZ LYS 63 -5.708 13.340 9.007 469 HZ2 LYS 63 2HZ LYS 63 -4.568 12.519 8.175 470 HZ3 LYS 63 3HZ LYS 63 -5.268 13.839 7.516 471 H ALA 64 H ALA 64 -6.651 7.315 7.233 472 HA ALA 64 HA ALA 64 -6.397 6.157 9.889 473 HB1 ALA 64 1HB ALA 64 -6.276 3.946 8.168 474 HB2 ALA 64 2HB ALA 64 -7.584 4.333 9.311 475 HB3 ALA 64 3HB ALA 64 -7.698 4.863 7.616 476 H VAL 65 H VAL 65 -4.404 4.622 9.892 477 HA VAL 65 HA VAL 65 -2.360 5.931 8.254 478 HB VAL 65 HB VAL 65 -2.228 4.410 10.863 479 HG11 VAL 65 1HG1 VAL 65 -0.086 5.329 8.982 480 HG12 VAL 65 2HG1 VAL 65 0.206 5.460 10.733 481 HG13 VAL 65 3HG1 VAL 65 -0.163 3.877 10.008 482 HG21 VAL 65 1HG2 VAL 65 -1.927 6.446 11.941 483 HG22 VAL 65 2HG2 VAL 65 -1.415 7.280 10.455 484 HG23 VAL 65 3HG2 VAL 65 -3.128 6.858 10.694 485 H LEU 66 H LEU 66 -1.435 4.828 6.604 486 HA LEU 66 HA LEU 66 -2.163 2.043 6.300 487 HB2 LEU 66 1HB LEU 66 -2.479 3.315 4.368 488 HB3 LEU 66 2HB LEU 66 -0.944 4.144 4.536 489 HG LEU 66 HG LEU 66 0.275 2.144 3.901 490 HD11 LEU 66 1HD1 LEU 66 -0.614 0.041 3.574 491 HD12 LEU 66 2HD1 LEU 66 -1.569 0.626 4.958 492 HD13 LEU 66 3HD1 LEU 66 -2.265 0.655 3.320 493 HD21 LEU 66 1HD2 LEU 66 -1.983 2.514 1.923 494 HD22 LEU 66 2HD2 LEU 66 -0.684 3.706 2.168 495 HD23 LEU 66 3HD2 LEU 66 -0.291 2.066 1.598 496 H TRP 67 H TRP 67 -0.942 0.457 7.155 497 HA TRP 67 HA TRP 67 1.844 1.082 7.764 498 HB2 TRP 67 1HB TRP 67 0.054 -1.185 8.658 499 HB3 TRP 67 2HB TRP 67 1.735 -0.994 9.114 500 HD1 TRP 67 HD TRP 67 -1.597 1.012 9.499 501 HE1 TRP 67 1HE TRP 67 -1.597 2.378 11.757 502 HE3 TRP 67 3HE TRP 67 3.144 -0.224 10.860 503 HZ2 TRP 67 2HZ TRP 67 0.341 2.780 13.812 504 HZ3 TRP 67 3HZ TRP 67 4.014 0.698 13.006 505 HH2 TRP 67 HH TRP 67 2.695 2.152 14.463 506 H VAL 68 H VAL 68 3.550 -0.369 7.043 507 HA VAL 68 HA VAL 68 2.742 -2.187 4.893 508 HB VAL 68 HB VAL 68 5.114 -0.336 4.697 509 HG11 VAL 68 1HG1 VAL 68 5.586 -1.723 3.002 510 HG12 VAL 68 2HG1 VAL 68 3.985 -2.496 3.080 511 HG13 VAL 68 3HG1 VAL 68 4.203 -0.991 2.155 512 HG21 VAL 68 1HG2 VAL 68 3.625 0.919 3.016 513 HG22 VAL 68 2HG2 VAL 68 2.255 0.125 3.829 514 HG23 VAL 68 3HG2 VAL 68 3.333 1.202 4.749 515 H SER 69 H SER 69 3.578 -4.189 5.192 516 HA SER 69 HA SER 69 6.130 -4.372 6.532 517 HB2 SER 69 1HB SER 69 3.744 -6.039 7.435 518 HB3 SER 69 2HB SER 69 5.351 -6.047 8.132 519 HG SER 69 HG SER 69 3.285 -4.500 8.839 520 H ALA 70 H ALA 70 7.054 -6.661 6.315 521 HA ALA 70 HA ALA 70 6.965 -7.502 3.696 522 HB1 ALA 70 1HB ALA 70 7.627 -9.306 6.041 523 HB2 ALA 70 2HB ALA 70 8.367 -9.270 4.423 524 HB3 ALA 70 3HB ALA 70 8.679 -7.949 5.574 525 H ASP 71 H ASP 71 4.939 -8.389 6.498 526 HA ASP 71 HA ASP 71 3.848 -10.678 5.361 527 HB2 ASP 71 1HB ASP 71 3.527 -10.395 7.696 528 HB3 ASP 71 2HB ASP 71 3.003 -8.732 7.521 529 H GLY 72 H GLY 72 3.536 -7.306 4.643 530 HA2 GLY 72 1HA GLY 72 2.253 -7.115 2.448 531 HA3 GLY 72 2HA GLY 72 0.885 -7.663 3.397 532 H LEU 73 H LEU 73 -0.436 -6.033 4.055 533 HA LEU 73 HA LEU 73 0.836 -3.601 5.050 534 HB2 LEU 73 1HB LEU 73 -1.591 -3.297 3.357 535 HB3 LEU 73 2HB LEU 73 -0.302 -2.159 3.696 536 HG LEU 73 HG LEU 73 0.287 -4.598 2.045 537 HD11 LEU 73 1HD1 LEU 73 -0.403 -3.520 0.014 538 HD12 LEU 73 2HD1 LEU 73 -1.792 -3.580 1.125 539 HD13 LEU 73 3HD1 LEU 73 -0.898 -2.057 0.899 540 HD21 LEU 73 1HD2 LEU 73 1.475 -2.138 1.147 541 HD22 LEU 73 2HD2 LEU 73 1.739 -2.334 2.896 542 HD23 LEU 73 3HD2 LEU 73 2.254 -3.613 1.770 543 H ARG 74 H ARG 74 -1.100 -2.161 6.042 544 HA ARG 74 HA ARG 74 -3.191 -3.773 7.086 545 HB2 ARG 74 1HB ARG 74 -0.833 -2.931 8.794 546 HB3 ARG 74 2HB ARG 74 -2.424 -2.991 9.527 547 HG2 ARG 74 1HG ARG 74 -2.343 -5.406 8.148 548 HG3 ARG 74 2HG ARG 74 -0.671 -5.217 8.638 549 HD2 ARG 74 1HD ARG 74 -1.463 -4.796 11.012 550 HD3 ARG 74 2HD ARG 74 -3.103 -5.121 10.487 551 HE ARG 74 HE ARG 74 -1.684 -7.347 9.612 552 HH11 ARG 74 2HH2 ARG 74 -2.114 -5.760 12.723 553 HH12 ARG 74 1HH2 ARG 74 -1.914 -7.217 13.638 554 HH21 ARG 74 2HH1 ARG 74 -1.421 -9.270 10.818 555 HH22 ARG 74 1HH1 ARG 74 -1.518 -9.227 12.547 556 H VAL 75 H VAL 75 -4.930 -2.389 6.969 557 HA VAL 75 HA VAL 75 -4.406 0.466 7.064 558 HB VAL 75 HB VAL 75 -6.908 -1.104 6.413 559 HG11 VAL 75 1HG1 VAL 75 -6.248 1.840 6.067 560 HG12 VAL 75 2HG1 VAL 75 -7.686 1.028 5.402 561 HG13 VAL 75 3HG1 VAL 75 -7.461 1.137 7.164 562 HG21 VAL 75 1HG2 VAL 75 -4.634 -0.082 4.726 563 HG22 VAL 75 2HG2 VAL 75 -5.458 -1.659 4.684 564 HG23 VAL 75 3HG2 VAL 75 -6.272 -0.212 4.042 565 H VAL 76 H VAL 76 -3.977 0.870 9.267 566 HA VAL 76 HA VAL 76 -5.823 -0.105 11.242 567 HB VAL 76 HB VAL 76 -3.284 1.465 11.184 568 HG11 VAL 76 1HG1 VAL 76 -4.356 2.870 12.700 569 HG12 VAL 76 2HG1 VAL 76 -5.345 1.555 13.379 570 HG13 VAL 76 3HG1 VAL 76 -3.610 1.652 13.762 571 HG21 VAL 76 1HG2 VAL 76 -4.008 -0.763 13.076 572 HG22 VAL 76 2HG2 VAL 76 -3.589 -1.119 11.383 573 HG23 VAL 76 3HG2 VAL 76 -2.415 -0.293 12.436 574 H ASP 77 H ASP 77 -7.106 1.297 12.652 575 HA ASP 77 HA ASP 77 -8.095 3.547 11.119 576 HB2 ASP 77 1HB ASP 77 -9.648 1.709 11.959 577 HB3 ASP 77 2HB ASP 77 -9.277 2.210 13.597 578 H GLU 78 H GLU 78 -6.921 5.405 11.708 579 HA GLU 78 HA GLU 78 -5.455 5.851 13.858 580 HB2 GLU 78 1HB GLU 78 -7.189 7.724 12.232 581 HB3 GLU 78 2HB GLU 78 -6.262 8.355 13.579 582 HG2 GLU 78 1HG GLU 78 -4.437 6.698 12.189 583 HG3 GLU 78 2HG GLU 78 -5.336 7.511 10.923 584 H LYS 79 H LYS 79 -8.992 5.765 13.749 585 HA LYS 79 HA LYS 79 -9.745 7.193 15.911 586 HB2 LYS 79 1HB LYS 79 -11.089 5.707 14.257 587 HB3 LYS 79 2HB LYS 79 -10.847 4.428 15.430 588 HG2 LYS 79 1HG LYS 79 -11.999 7.158 16.163 589 HG3 LYS 79 2HG LYS 79 -12.998 5.791 15.711 590 HD2 LYS 79 1HD LYS 79 -11.931 4.455 17.584 591 HD3 LYS 79 2HD LYS 79 -11.056 5.894 18.067 592 HE2 LYS 79 1HE LYS 79 -12.848 6.535 19.299 593 HE3 LYS 79 2HE LYS 79 -13.774 6.711 17.822 594 HZ1 LYS 79 1HZ LYS 79 -14.770 5.160 19.378 595 HZ2 LYS 79 2HZ LYS 79 -14.396 4.420 17.971 596 HZ3 LYS 79 3HZ LYS 79 -13.463 4.185 19.291 597 H THR 80 H THR 80 -9.246 3.616 16.236 598 HA THR 80 HA THR 80 -7.995 4.188 18.843 599 HB THR 80 HB THR 80 -10.395 3.197 18.803 600 HG1 THR 80 1HG THR 80 -8.115 1.666 19.848 601 HG21 THR 80 1HG2 THR 80 -10.323 1.500 17.099 602 HG22 THR 80 2HG2 THR 80 -8.743 0.900 17.659 603 HG23 THR 80 3HG2 THR 80 -10.205 0.599 18.630 604 H LYS 81 H LYS 81 -7.002 3.697 15.912 605 HA LYS 81 HA LYS 81 -5.191 2.785 15.035 606 HB2 LYS 81 1HB LYS 81 -4.674 2.344 17.942 607 HB3 LYS 81 2HB LYS 81 -3.684 1.453 16.803 608 HG2 LYS 81 1HG LYS 81 -4.106 4.478 16.711 609 HG3 LYS 81 2HG LYS 81 -2.719 3.699 17.446 610 HD2 LYS 81 1HD LYS 81 -2.426 2.516 15.113 611 HD3 LYS 81 2HD LYS 81 -3.502 3.762 14.512 612 HE2 LYS 81 1HE LYS 81 -1.696 5.249 16.021 613 HE3 LYS 81 2HE LYS 81 -0.672 3.975 15.390 614 HZ1 LYS 81 1HZ LYS 81 -1.323 6.145 14.036 615 HZ2 LYS 81 2HZ LYS 81 -0.904 4.738 13.322 616 HZ3 LYS 81 3HZ LYS 81 -2.480 5.132 13.486 617 H ASP 82 H ASP 82 -7.875 1.255 15.952 618 HA ASP 82 HA ASP 82 -7.329 -1.393 16.124 619 HB2 ASP 82 1HB ASP 82 -9.593 0.206 15.805 620 HB3 ASP 82 2HB ASP 82 -9.607 -0.746 14.334 621 H LEU 83 H LEU 83 -8.491 -2.787 13.971 622 HA LEU 83 HA LEU 83 -6.691 -2.102 11.752 623 HB2 LEU 83 1HB LEU 83 -6.269 -4.210 13.140 624 HB3 LEU 83 2HB LEU 83 -7.722 -4.855 12.401 625 HG LEU 83 HG LEU 83 -5.372 -5.387 11.396 626 HD11 LEU 83 1HD1 LEU 83 -7.831 -4.653 9.801 627 HD12 LEU 83 2HD1 LEU 83 -6.405 -5.439 9.081 628 HD13 LEU 83 3HD1 LEU 83 -7.315 -6.257 10.373 629 HD21 LEU 83 1HD2 LEU 83 -4.508 -3.885 9.777 630 HD22 LEU 83 2HD2 LEU 83 -5.914 -2.803 9.922 631 HD23 LEU 83 3HD2 LEU 83 -4.756 -2.942 11.266 632 H ILE 84 H ILE 84 -7.669 -1.443 9.920 633 HA ILE 84 HA ILE 84 -10.542 -1.822 9.735 634 HB ILE 84 HB ILE 84 -8.685 -0.225 7.971 635 HG12 ILE 84 1HG1 ILE 84 -10.346 0.805 10.285 636 HG13 ILE 84 2HG1 ILE 84 -8.640 0.427 10.416 637 HG21 ILE 84 1HG2 ILE 84 -11.220 -0.993 7.415 638 HG22 ILE 84 2HG2 ILE 84 -11.528 0.521 8.300 639 HG23 ILE 84 3HG2 ILE 84 -10.489 0.530 6.855 640 HD11 ILE 84 1HD1 ILE 84 -7.987 2.194 9.029 641 HD12 ILE 84 2HD1 ILE 84 -9.539 2.219 8.159 642 HD13 ILE 84 3HD1 ILE 84 -9.430 2.890 9.804 643 H VAL 85 H VAL 85 -7.508 -2.532 7.899 644 HA VAL 85 HA VAL 85 -8.878 -4.820 6.745 645 HB VAL 85 HB VAL 85 -7.615 -2.590 5.144 646 HG11 VAL 85 1HG1 VAL 85 -6.839 -4.735 4.267 647 HG12 VAL 85 2HG1 VAL 85 -8.514 -5.337 4.206 648 HG13 VAL 85 3HG1 VAL 85 -8.012 -3.993 3.152 649 HG21 VAL 85 1HG2 VAL 85 -9.876 -2.052 5.599 650 HG22 VAL 85 2HG2 VAL 85 -9.869 -2.729 3.953 651 HG23 VAL 85 3HG2 VAL 85 -10.416 -3.725 5.323 652 H ASP 86 H ASP 86 -7.359 -6.435 5.913 653 HA ASP 86 HA ASP 86 -4.643 -5.930 6.832 654 HB2 ASP 86 1HB ASP 86 -5.400 -7.388 8.513 655 HB3 ASP 86 2HB ASP 86 -6.508 -8.219 7.440 656 H GLN 87 H GLN 87 -3.802 -5.671 4.689 657 HA GLN 87 HA GLN 87 -4.508 -7.709 2.764 658 HB2 GLN 87 1HB GLN 87 -4.614 -5.361 2.029 659 HB3 GLN 87 2HB GLN 87 -2.942 -5.107 2.485 660 HG2 GLN 87 1HG GLN 87 -2.916 -5.483 0.115 661 HG3 GLN 87 2HG GLN 87 -2.305 -6.960 0.834 662 HE21 GLN 87 1HE2 GLN 87 -2.951 -7.731 -1.341 663 HE22 GLN 87 2HE2 GLN 87 -4.558 -8.337 -1.566 664 H THR 88 H THR 88 -2.873 -8.965 1.626 665 HA THR 88 HA THR 88 -0.377 -9.189 3.175 666 HB THR 88 HB THR 88 -1.695 -11.194 3.458 667 HG1 THR 88 1HG THR 88 -0.306 -12.646 2.163 668 HG21 THR 88 1HG2 THR 88 -2.162 -10.940 0.450 669 HG22 THR 88 2HG2 THR 88 -2.373 -12.485 1.308 670 HG23 THR 88 3HG2 THR 88 -3.385 -11.085 1.736 671 H ILE 89 H ILE 89 1.601 -9.395 2.104 672 HA ILE 89 HA ILE 89 1.778 -7.949 -0.284 673 HB ILE 89 HB ILE 89 3.472 -8.471 1.665 674 HG12 ILE 89 1HG1 ILE 89 5.287 -7.677 0.217 675 HG13 ILE 89 2HG1 ILE 89 4.347 -8.064 -1.210 676 HG21 ILE 89 1HG2 ILE 89 3.444 -10.959 0.648 677 HG22 ILE 89 2HG2 ILE 89 4.774 -10.265 -0.309 678 HG23 ILE 89 3HG2 ILE 89 4.855 -10.250 1.469 679 HD11 ILE 89 1HD1 ILE 89 2.772 -6.433 0.638 680 HD12 ILE 89 2HD1 ILE 89 4.308 -5.636 0.225 681 HD13 ILE 89 3HD1 ILE 89 3.184 -6.124 -1.065 682 H GLU 90 H GLU 90 1.100 -11.312 0.412 683 HA GLU 90 HA GLU 90 2.089 -12.464 -1.882 684 HB2 GLU 90 1HB GLU 90 -0.412 -13.221 -0.307 685 HB3 GLU 90 2HB GLU 90 0.428 -14.269 -1.432 686 HG2 GLU 90 1HG GLU 90 1.617 -13.087 1.123 687 HG3 GLU 90 2HG GLU 90 1.099 -14.747 0.912 688 H LYS 91 H LYS 91 -1.404 -11.645 -1.245 689 HA LYS 91 HA LYS 91 -2.350 -11.988 -3.754 690 HB2 LYS 91 1HB LYS 91 -3.154 -9.867 -1.740 691 HB3 LYS 91 2HB LYS 91 -4.107 -10.342 -3.132 692 HG2 LYS 91 1HG LYS 91 -3.408 -11.985 -0.678 693 HG3 LYS 91 2HG LYS 91 -4.993 -11.640 -1.341 694 HD2 LYS 91 1HD LYS 91 -4.205 -12.970 -3.445 695 HD3 LYS 91 2HD LYS 91 -2.884 -13.537 -2.442 696 HE2 LYS 91 1HE LYS 91 -5.535 -13.752 -1.123 697 HE3 LYS 91 2HE LYS 91 -5.410 -14.704 -2.589 698 HZ1 LYS 91 1HZ LYS 91 -4.386 -16.152 -1.287 699 HZ2 LYS 91 2HZ LYS 91 -3.075 -15.179 -1.357 700 HZ3 LYS 91 3HZ LYS 91 -4.103 -15.075 -0.092 701 H VAL 92 H VAL 92 -1.007 -8.888 -2.415 702 HA VAL 92 HA VAL 92 -1.248 -7.290 -4.558 703 HB VAL 92 HB VAL 92 1.123 -7.594 -2.707 704 HG11 VAL 92 1HG1 VAL 92 0.567 -4.916 -3.769 705 HG12 VAL 92 2HG1 VAL 92 2.109 -5.793 -3.616 706 HG13 VAL 92 3HG1 VAL 92 1.055 -6.083 -5.022 707 HG21 VAL 92 1HG2 VAL 92 -0.846 -7.207 -1.421 708 HG22 VAL 92 2HG2 VAL 92 0.002 -5.646 -1.538 709 HG23 VAL 92 3HG2 VAL 92 -1.426 -5.962 -2.553 710 H SER 93 H SER 93 -1.021 -7.889 -6.666 711 HA SER 93 HA SER 93 1.263 -9.536 -7.325 712 HB2 SER 93 1HB SER 93 -0.787 -10.347 -8.266 713 HB3 SER 93 2HB SER 93 -1.270 -8.752 -8.806 714 HG SER 93 HG SER 93 0.174 -10.631 -10.148 715 H PHE 94 H PHE 94 -0.288 -6.366 -8.098 716 HA PHE 94 HA PHE 94 2.319 -5.468 -9.068 717 HB2 PHE 94 1HB PHE 94 0.935 -5.982 -11.051 718 HB3 PHE 94 2HB PHE 94 -0.471 -5.224 -10.329 719 HD1 PHE 94 2HD PHE 94 2.913 -4.488 -11.665 720 HD2 PHE 94 1HD PHE 94 -0.923 -2.952 -10.698 721 HE1 PHE 94 2HE PHE 94 3.488 -2.330 -12.810 722 HE2 PHE 94 1HE PHE 94 -0.347 -0.794 -11.843 723 HZ PHE 94 HZ PHE 94 1.851 -0.508 -12.885 724 H CYS 95 H CYS 95 2.623 -3.118 -8.930 725 HA CYS 95 HA CYS 95 0.587 -1.614 -7.586 726 HB2 CYS 95 1HB CYS 95 2.324 -0.955 -5.753 727 HB3 CYS 95 2HB CYS 95 1.361 -2.406 -5.556 728 HG CYS 95 HG CYS 95 3.064 -4.097 -5.790 729 H ALA 96 H ALA 96 0.760 0.507 -8.306 730 HA ALA 96 HA ALA 96 3.368 1.339 -9.359 731 HB1 ALA 96 1HB ALA 96 2.304 2.269 -11.322 732 HB2 ALA 96 2HB ALA 96 1.816 0.562 -11.190 733 HB3 ALA 96 3HB ALA 96 0.688 1.851 -10.705 734 HA PRO 97 HA PRO 97 2.514 4.925 -7.099 735 HB2 PRO 97 1HB PRO 97 4.070 6.775 -8.374 736 HB3 PRO 97 2HB PRO 97 4.706 5.619 -7.220 737 HG2 PRO 97 1HG PRO 97 4.940 5.617 -10.167 738 HG3 PRO 97 2HG PRO 97 5.898 4.742 -8.989 739 HD2 PRO 97 1HD PRO 97 3.812 3.672 -10.643 740 HD3 PRO 97 2HD PRO 97 4.691 2.826 -9.384 741 H ASP 98 H ASP 98 2.383 7.607 -7.774 742 HA ASP 98 HA ASP 98 -0.233 7.559 -8.881 743 HB2 ASP 98 1HB ASP 98 -0.371 9.813 -8.185 744 HB3 ASP 98 2HB ASP 98 0.713 9.100 -7.008 745 H ARG 99 H ARG 99 -0.298 10.022 -10.336 746 HA ARG 99 HA ARG 99 1.688 10.483 -12.101 747 HB2 ARG 99 1HB ARG 99 0.098 8.065 -12.811 748 HB3 ARG 99 2HB ARG 99 0.229 9.231 -14.112 749 HG2 ARG 99 1HG ARG 99 2.837 9.078 -12.989 750 HG3 ARG 99 2HG ARG 99 2.267 7.422 -13.047 751 HD2 ARG 99 1HD ARG 99 1.494 8.655 -15.527 752 HD3 ARG 99 2HD ARG 99 3.164 9.100 -15.237 753 HE ARG 99 HE ARG 99 2.641 6.261 -14.748 754 HH11 ARG 99 2HH2 ARG 99 3.447 8.655 -17.198 755 HH12 ARG 99 1HH2 ARG 99 4.175 7.502 -18.267 756 HH21 ARG 99 2HH1 ARG 99 3.602 4.740 -16.158 757 HH22 ARG 99 1HH1 ARG 99 4.263 5.261 -17.671 758 H ASN 100 H ASN 100 -1.834 10.014 -11.610 759 HA ASN 100 HA ASN 100 -2.367 12.254 -13.356 760 HB2 ASN 100 1HB ASN 100 -4.374 10.568 -11.778 761 HB3 ASN 100 2HB ASN 100 -4.723 11.607 -13.146 762 HD21 ASN 100 1HD2 ASN 100 -5.418 8.904 -12.973 763 HD22 ASN 100 2HD2 ASN 100 -4.577 8.006 -14.192 764 H PHE 101 H PHE 101 -2.794 11.074 -9.953 765 HA PHE 101 HA PHE 101 -3.762 13.679 -9.133 766 HB2 PHE 101 1HB PHE 101 -3.073 11.199 -7.463 767 HB3 PHE 101 2HB PHE 101 -4.203 12.468 -7.034 768 HD1 PHE 101 1HD PHE 101 -3.683 9.525 -9.176 769 HD2 PHE 101 2HD PHE 101 -6.459 12.447 -7.848 770 HE1 PHE 101 1HE PHE 101 -5.565 8.178 -10.147 771 HE2 PHE 101 2HE PHE 101 -8.341 11.100 -8.818 772 HZ PHE 101 HZ PHE 101 -7.872 8.982 -9.956 773 H ASP 102 H ASP 102 -2.791 14.708 -7.132 774 HA ASP 102 HA ASP 102 -0.097 15.166 -7.588 775 HB2 ASP 102 1HB ASP 102 -2.187 16.211 -5.951 776 HB3 ASP 102 2HB ASP 102 -0.896 15.787 -4.845 777 H ARG 103 H ARG 103 -1.931 13.196 -5.167 778 HA ARG 103 HA ARG 103 0.466 11.674 -4.725 779 HB2 ARG 103 1HB ARG 103 0.237 11.786 -2.243 780 HB3 ARG 103 2HB ARG 103 0.548 13.372 -2.922 781 HG2 ARG 103 1HG ARG 103 -2.184 13.383 -3.004 782 HG3 ARG 103 2HG ARG 103 -1.945 12.307 -1.642 783 HD2 ARG 103 1HD ARG 103 -1.848 14.285 -0.460 784 HD3 ARG 103 2HD ARG 103 -0.166 14.245 -0.948 785 HE ARG 103 HE ARG 103 -1.607 15.489 -3.054 786 HH11 ARG 103 2HH2 ARG 103 -0.812 16.111 0.317 787 HH12 ARG 103 1HH2 ARG 103 -0.867 17.834 0.145 788 HH21 ARG 103 2HH1 ARG 103 -1.680 17.762 -3.282 789 HH22 ARG 103 1HH1 ARG 103 -1.364 18.779 -1.916 790 H ALA 104 H ALA 104 -0.724 10.000 -5.867 791 HA ALA 104 HA ALA 104 -2.812 8.791 -4.203 792 HB1 ALA 104 1HB ALA 104 -4.111 8.285 -6.217 793 HB2 ALA 104 2HB ALA 104 -3.860 10.042 -6.083 794 HB3 ALA 104 3HB ALA 104 -2.892 9.089 -7.233 795 H PHE 105 H PHE 105 -2.612 6.575 -3.965 796 HA PHE 105 HA PHE 105 -0.735 5.219 -5.736 797 HB2 PHE 105 1HB PHE 105 0.679 5.745 -3.858 798 HB3 PHE 105 2HB PHE 105 -0.648 5.637 -2.718 799 HD1 PHE 105 1HD PHE 105 1.299 3.468 -5.050 800 HD2 PHE 105 2HD PHE 105 -0.803 3.763 -1.375 801 HE1 PHE 105 1HE PHE 105 1.990 1.126 -4.467 802 HE2 PHE 105 2HE PHE 105 -0.112 1.421 -0.793 803 HZ PHE 105 HZ PHE 105 1.276 0.131 -2.345 804 H SER 106 H SER 106 -1.485 3.234 -6.354 805 HA SER 106 HA SER 106 -3.365 1.931 -4.580 806 HB2 SER 106 1HB SER 106 -4.883 3.032 -6.065 807 HB3 SER 106 2HB SER 106 -3.887 2.705 -7.469 808 HG SER 106 HG SER 106 -5.502 0.852 -5.957 809 H TYR 107 H TYR 107 -3.502 -0.418 -4.958 810 HA TYR 107 HA TYR 107 -1.487 -1.454 -6.814 811 HB2 TYR 107 1HB TYR 107 -0.566 -2.798 -4.985 812 HB3 TYR 107 2HB TYR 107 -0.703 -1.173 -4.343 813 HD1 TYR 107 2HD TYR 107 -2.668 -4.361 -4.563 814 HD2 TYR 107 1HD TYR 107 -1.756 -0.853 -2.289 815 HE1 TYR 107 2HE TYR 107 -4.080 -5.233 -2.637 816 HE2 TYR 107 1HE TYR 107 -3.171 -1.738 -0.371 817 HH TYR 107 HH TYR 107 -5.382 -3.692 -0.518 818 H ILE 108 H ILE 108 -1.918 -3.570 -7.608 819 HA ILE 108 HA ILE 108 -4.711 -4.315 -7.299 820 HB ILE 108 HB ILE 108 -2.644 -5.394 -9.214 821 HG12 ILE 108 1HG1 ILE 108 -4.550 -3.061 -9.552 822 HG13 ILE 108 2HG1 ILE 108 -2.799 -2.991 -9.528 823 HG21 ILE 108 1HG2 ILE 108 -5.597 -5.349 -9.709 824 HG22 ILE 108 2HG2 ILE 108 -4.348 -6.455 -10.329 825 HG23 ILE 108 3HG2 ILE 108 -4.908 -6.599 -8.646 826 HD11 ILE 108 1HD1 ILE 108 -4.260 -4.740 -11.538 827 HD12 ILE 108 2HD1 ILE 108 -3.969 -3.012 -11.848 828 HD13 ILE 108 3HD1 ILE 108 -2.594 -4.118 -11.617 829 H CYS 109 H CYS 109 -5.378 -6.462 -6.728 830 HA CYS 109 HA CYS 109 -3.372 -8.301 -5.842 831 HB2 CYS 109 1HB CYS 109 -3.917 -8.381 -3.529 832 HB3 CYS 109 2HB CYS 109 -3.592 -6.701 -3.905 833 HG CYS 109 HG CYS 109 -6.120 -8.125 -2.708 834 H ARG 110 H ARG 110 -4.314 -10.439 -5.571 835 HA ARG 110 HA ARG 110 -6.829 -10.636 -6.920 836 HB2 ARG 110 1HB ARG 110 -4.871 -12.141 -7.459 837 HB3 ARG 110 2HB ARG 110 -4.982 -12.832 -5.852 838 HG2 ARG 110 1HG ARG 110 -7.507 -12.812 -7.479 839 HG3 ARG 110 2HG ARG 110 -6.243 -13.903 -8.012 840 HD2 ARG 110 1HD ARG 110 -6.220 -14.405 -5.302 841 HD3 ARG 110 2HD ARG 110 -7.908 -13.996 -5.532 842 HE ARG 110 HE ARG 110 -7.051 -15.818 -7.599 843 HH11 ARG 110 2HH2 ARG 110 -7.891 -15.716 -4.184 844 HH12 ARG 110 1HH2 ARG 110 -8.393 -17.373 -4.127 845 HH21 ARG 110 2HH1 ARG 110 -7.713 -18.004 -7.524 846 HH22 ARG 110 1HH1 ARG 110 -8.291 -18.683 -6.040 847 H ASP 111 H ASP 111 -8.441 -9.980 -5.414 848 HA ASP 111 HA ASP 111 -8.555 -10.335 -2.800 849 HB2 ASP 111 1HB ASP 111 -10.310 -9.365 -4.462 850 HB3 ASP 111 2HB ASP 111 -10.958 -10.991 -4.555 851 H GLY 112 H GLY 112 -8.428 -12.130 -1.443 852 HA2 GLY 112 1HA GLY 112 -8.910 -14.780 -2.617 853 HA3 GLY 112 2HA GLY 112 -7.988 -14.418 -1.171 854 H THR 113 H THR 113 -11.255 -13.167 -2.089 855 HA THR 113 HA THR 113 -12.402 -14.775 0.081 856 HB THR 113 HB THR 113 -13.726 -12.540 0.566 857 HG1 THR 113 1HG THR 113 -11.216 -11.713 -0.715 858 HG21 THR 113 1HG2 THR 113 -12.000 -11.735 2.107 859 HG22 THR 113 2HG2 THR 113 -11.928 -13.514 2.101 860 HG23 THR 113 3HG2 THR 113 -10.728 -12.571 1.185 861 H THR 114 H THR 114 -12.977 -12.655 -2.784 862 HA THR 114 HA THR 114 -15.493 -14.105 -3.206 863 HB THR 114 HB THR 114 -14.351 -11.423 -4.096 864 HG1 THR 114 1HG THR 114 -16.716 -12.537 -2.766 865 HG21 THR 114 1HG2 THR 114 -16.610 -11.170 -5.284 866 HG22 THR 114 2HG2 THR 114 -15.458 -12.244 -6.113 867 HG23 THR 114 3HG2 THR 114 -16.791 -12.936 -5.157 868 H ARG 115 H ARG 115 -12.221 -14.211 -4.085 869 HA ARG 115 HA ARG 115 -11.175 -15.438 -5.533 870 HB2 ARG 115 1HB ARG 115 -13.853 -16.353 -6.693 871 HB3 ARG 115 2HB ARG 115 -12.309 -17.164 -6.866 872 HG2 ARG 115 1HG ARG 115 -13.012 -16.686 -4.037 873 HG3 ARG 115 2HG ARG 115 -14.215 -17.653 -4.867 874 HD2 ARG 115 1HD ARG 115 -11.263 -18.310 -5.166 875 HD3 ARG 115 2HD ARG 115 -12.147 -18.856 -3.755 876 HE ARG 115 HE ARG 115 -13.720 -19.548 -6.007 877 HH11 ARG 115 2HH2 ARG 115 -10.565 -20.357 -4.674 878 HH12 ARG 115 1HH2 ARG 115 -10.544 -21.950 -5.354 879 HH21 ARG 115 2HH1 ARG 115 -13.693 -21.650 -6.904 880 HH22 ARG 115 1HH1 ARG 115 -12.335 -22.690 -6.631 881 H ARG 116 H ARG 116 -11.359 -12.797 -6.134 882 HA ARG 116 HA ARG 116 -11.488 -12.879 -9.005 883 HB2 ARG 116 1HB ARG 116 -12.821 -10.784 -9.143 884 HB3 ARG 116 2HB ARG 116 -13.736 -12.049 -8.347 885 HG2 ARG 116 1HG ARG 116 -13.726 -10.972 -6.310 886 HG3 ARG 116 2HG ARG 116 -12.087 -10.383 -6.507 887 HD2 ARG 116 1HD ARG 116 -13.911 -8.582 -6.528 888 HD3 ARG 116 2HD ARG 116 -12.795 -8.534 -7.878 889 HE ARG 116 HE ARG 116 -14.512 -9.306 -9.335 890 HH11 ARG 116 2HH2 ARG 116 -15.601 -9.257 -5.989 891 HH12 ARG 116 1HH2 ARG 116 -17.275 -9.441 -6.397 892 HH21 ARG 116 2HH1 ARG 116 -16.719 -9.549 -9.874 893 HH22 ARG 116 1HH1 ARG 116 -17.915 -9.608 -8.622 894 H TRP 117 H TRP 117 -11.020 -10.145 -9.537 895 HA TRP 117 HA TRP 117 -8.459 -9.766 -8.157 896 HB2 TRP 117 1HB TRP 117 -9.282 -8.477 -10.748 897 HB3 TRP 117 2HB TRP 117 -7.673 -8.663 -10.078 898 HD1 TRP 117 HD TRP 117 -10.388 -10.741 -11.883 899 HE1 TRP 117 1HE TRP 117 -9.361 -12.927 -12.946 900 HE3 TRP 117 3HE TRP 117 -5.775 -10.211 -9.811 901 HZ2 TRP 117 2HZ TRP 117 -6.791 -14.161 -12.805 902 HZ3 TRP 117 3HZ TRP 117 -4.065 -11.950 -10.324 903 HH2 TRP 117 HH TRP 117 -4.512 -13.874 -11.765 904 H ILE 118 H ILE 118 -8.172 -7.948 -6.892 905 HA ILE 118 HA ILE 118 -10.158 -5.817 -7.162 906 HB ILE 118 HB ILE 118 -9.407 -7.277 -4.635 907 HG12 ILE 118 1HG1 ILE 118 -11.245 -8.200 -6.064 908 HG13 ILE 118 2HG1 ILE 118 -11.726 -7.766 -4.436 909 HG21 ILE 118 1HG2 ILE 118 -10.212 -4.473 -5.025 910 HG22 ILE 118 2HG2 ILE 118 -11.198 -5.372 -3.847 911 HG23 ILE 118 3HG2 ILE 118 -9.433 -5.270 -3.637 912 HD11 ILE 118 1HD1 ILE 118 -12.214 -5.392 -5.710 913 HD12 ILE 118 2HD1 ILE 118 -12.514 -6.540 -7.036 914 HD13 ILE 118 3HD1 ILE 118 -13.432 -6.676 -5.518 915 H CYS 119 H CYS 119 -9.336 -3.741 -6.886 916 HA CYS 119 HA CYS 119 -6.453 -3.664 -6.364 917 HB2 CYS 119 1HB CYS 119 -7.059 -3.164 -8.732 918 HB3 CYS 119 2HB CYS 119 -8.030 -1.813 -8.181 919 HG CYS 119 HG CYS 119 -5.790 -1.028 -6.595 920 H HIS 120 H HIS 120 -5.893 -2.466 -4.567 921 HA HIS 120 HA HIS 120 -8.021 -0.894 -3.353 922 HB2 HIS 120 1HB HIS 120 -5.449 -2.066 -2.278 923 HB3 HIS 120 2HB HIS 120 -6.426 -0.933 -1.365 924 HD1 HIS 120 1HD HIS 120 -8.625 -1.797 -0.319 925 HD2 HIS 120 2HD HIS 120 -6.628 -4.651 -2.656 926 HE1 HIS 120 1HE HIS 120 -9.762 -4.031 0.155 927 H CYS 121 H CYS 121 -7.869 1.321 -3.031 928 HA CYS 121 HA CYS 121 -5.487 2.546 -4.216 929 HB2 CYS 121 1HB CYS 121 -8.255 3.770 -3.993 930 HB3 CYS 121 2HB CYS 121 -6.866 4.450 -4.817 931 HG CYS 121 HG CYS 121 -8.688 3.456 -6.507 932 H PHE 122 H PHE 122 -4.598 4.422 -3.083 933 HA PHE 122 HA PHE 122 -5.722 5.013 -0.482 934 HB2 PHE 122 1HB PHE 122 -2.857 4.014 -1.003 935 HB3 PHE 122 2HB PHE 122 -3.439 4.577 0.551 936 HD1 PHE 122 1HD PHE 122 -3.752 1.891 -1.957 937 HD2 PHE 122 2HD PHE 122 -4.701 3.151 1.982 938 HE1 PHE 122 1HE PHE 122 -4.487 -0.441 -1.388 939 HE2 PHE 122 2HE PHE 122 -5.436 0.820 2.551 940 HZ PHE 122 HZ PHE 122 -5.321 -0.948 0.860 941 H MET 123 H MET 123 -5.766 7.202 -0.347 942 HA MET 123 HA MET 123 -3.950 8.666 -2.041 943 HB2 MET 123 1HB MET 123 -6.503 9.223 -0.510 944 HB3 MET 123 2HB MET 123 -5.466 10.591 -0.860 945 HG2 MET 123 1HG MET 123 -6.753 8.687 -2.864 946 HG3 MET 123 2HG MET 123 -7.042 10.407 -2.694 947 HE1 MET 123 1HE MET 123 -5.522 11.582 -5.423 948 HE2 MET 123 2HE MET 123 -6.406 11.853 -3.902 949 HE3 MET 123 3HE MET 123 -4.694 12.323 -4.033 950 H ALA 124 H ALA 124 -2.384 10.156 -1.299 951 HA ALA 124 HA ALA 124 -1.426 9.641 1.350 952 HB1 ALA 124 1HB ALA 124 -0.274 11.860 -0.255 953 HB2 ALA 124 2HB ALA 124 0.529 10.484 0.539 954 HB3 ALA 124 3HB ALA 124 -0.262 10.263 -1.041 955 H VAL 125 H VAL 125 -1.276 11.139 3.088 956 HA VAL 125 HA VAL 125 -3.390 13.124 3.019 957 HB VAL 125 HB VAL 125 -1.671 11.916 5.183 958 HG11 VAL 125 1HG1 VAL 125 -2.089 13.609 6.572 959 HG12 VAL 125 2HG1 VAL 125 -2.792 14.515 5.211 960 HG13 VAL 125 3HG1 VAL 125 -3.834 13.501 6.238 961 HG21 VAL 125 1HG2 VAL 125 -4.000 11.027 3.979 962 HG22 VAL 125 2HG2 VAL 125 -3.386 10.525 5.572 963 HG23 VAL 125 3HG2 VAL 125 -4.588 11.832 5.453 964 H LYS 126 H LYS 126 0.125 12.953 3.943 965 HA LYS 126 HA LYS 126 0.384 15.666 2.890 966 HB2 LYS 126 1HB LYS 126 1.884 16.151 4.903 967 HB3 LYS 126 2HB LYS 126 0.151 16.179 5.158 968 HG2 LYS 126 1HG LYS 126 0.401 13.665 5.839 969 HG3 LYS 126 2HG LYS 126 2.120 13.995 5.938 970 HD2 LYS 126 1HD LYS 126 1.067 16.137 7.354 971 HD3 LYS 126 2HD LYS 126 -0.080 14.869 7.739 972 HE2 LYS 126 1HE LYS 126 1.818 13.376 8.430 973 HE3 LYS 126 2HE LYS 126 2.952 14.662 8.069 974 HZ1 LYS 126 1HZ LYS 126 2.348 14.600 10.393 975 HZ2 LYS 126 2HZ LYS 126 1.881 16.014 9.722 976 HZ3 LYS 126 3HZ LYS 126 0.775 14.854 10.034 977 H ASP 127 H ASP 127 0.988 12.919 1.877 978 HA ASP 127 HA ASP 127 3.864 13.320 1.652 979 HB2 ASP 127 1HB ASP 127 2.534 10.593 1.465 980 HB3 ASP 127 2HB ASP 127 4.238 10.944 1.670 981 H THR 128 H THR 128 4.126 11.099 -0.291 982 HA THR 128 HA THR 128 2.305 11.889 -2.444 983 HB THR 128 HB THR 128 4.395 13.306 -2.556 984 HG1 THR 128 1HG THR 128 4.041 11.098 -4.461 985 HG21 THR 128 1HG2 THR 128 6.174 11.921 -1.719 986 HG22 THR 128 2HG2 THR 128 5.663 10.535 -2.712 987 HG23 THR 128 3HG2 THR 128 6.426 11.947 -3.481 988 H GLY 129 H GLY 129 1.855 10.289 -3.958 989 HA2 GLY 129 1HA GLY 129 1.683 7.716 -3.188 990 HA3 GLY 129 2HA GLY 129 1.841 8.213 -4.861 991 H GLU 130 H GLU 130 4.510 9.254 -4.853 992 HA GLU 130 HA GLU 130 5.983 7.154 -5.495 993 HB2 GLU 130 1HB GLU 130 6.460 9.909 -4.930 994 HB3 GLU 130 2HB GLU 130 7.717 9.019 -4.094 995 HG2 GLU 130 1HG GLU 130 8.685 9.257 -6.210 996 HG3 GLU 130 2HG GLU 130 7.933 7.682 -6.369 997 H ARG 131 H ARG 131 6.306 8.744 -2.230 998 HA ARG 131 HA ARG 131 7.899 6.869 -1.125 999 HB2 ARG 131 1HB ARG 131 5.904 8.851 -0.080 1000 HB3 ARG 131 2HB ARG 131 6.395 7.607 1.052 1001 HG2 ARG 131 1HG ARG 131 8.192 8.944 1.480 1002 HG3 ARG 131 2HG ARG 131 8.836 8.343 -0.035 1003 HD2 ARG 131 1HD ARG 131 8.959 10.673 -0.354 1004 HD3 ARG 131 2HD ARG 131 7.441 10.289 -1.140 1005 HE ARG 131 HE ARG 131 6.289 11.445 0.547 1006 HH11 ARG 131 2HH2 ARG 131 9.593 10.836 1.594 1007 HH12 ARG 131 1HH2 ARG 131 9.465 11.831 3.005 1008 HH21 ARG 131 2HH1 ARG 131 6.120 12.758 2.409 1009 HH22 ARG 131 1HH1 ARG 131 7.476 12.932 3.472 1010 H LEU 132 H LEU 132 4.296 6.924 -1.361 1011 HA LEU 132 HA LEU 132 3.816 4.697 0.247 1012 HB2 LEU 132 1HB LEU 132 2.298 6.049 -1.968 1013 HB3 LEU 132 2HB LEU 132 1.679 4.608 -1.187 1014 HG LEU 132 HG LEU 132 2.218 6.110 1.002 1015 HD11 LEU 132 1HD1 LEU 132 2.220 7.964 -1.254 1016 HD12 LEU 132 2HD1 LEU 132 1.004 8.376 -0.021 1017 HD13 LEU 132 3HD1 LEU 132 2.716 8.208 0.439 1018 HD21 LEU 132 1HD2 LEU 132 -0.377 6.624 -0.400 1019 HD22 LEU 132 2HD2 LEU 132 0.057 4.956 0.045 1020 HD23 LEU 132 3HD2 LEU 132 -0.055 6.213 1.301 1021 H SER 133 H SER 133 4.756 5.053 -3.186 1022 HA SER 133 HA SER 133 4.236 2.373 -3.827 1023 HB2 SER 133 1HB SER 133 4.990 2.937 -5.938 1024 HB3 SER 133 2HB SER 133 4.669 4.546 -5.322 1025 HG SER 133 HG SER 133 6.876 3.987 -6.372 1026 H HIS 134 H HIS 134 6.716 3.975 -2.006 1027 HA HIS 134 HA HIS 134 8.765 2.063 -2.590 1028 HB2 HIS 134 1HB HIS 134 9.203 4.453 -2.031 1029 HB3 HIS 134 2HB HIS 134 8.615 4.160 -0.407 1030 HD1 HIS 134 1HD HIS 134 10.698 4.321 0.992 1031 HD2 HIS 134 2HD HIS 134 11.219 1.879 -2.379 1032 HE1 HIS 134 1HE HIS 134 13.013 3.273 1.220 1033 H ALA 135 H ALA 135 6.883 2.942 0.401 1034 HA ALA 135 HA ALA 135 7.672 0.937 2.023 1035 HB1 ALA 135 1HB ALA 135 5.580 1.266 3.190 1036 HB2 ALA 135 2HB ALA 135 6.079 2.834 2.511 1037 HB3 ALA 135 3HB ALA 135 4.798 1.888 1.717 1038 H VAL 136 H VAL 136 4.913 0.765 -0.340 1039 HA VAL 136 HA VAL 136 4.317 -1.904 0.133 1040 HB VAL 136 HB VAL 136 2.893 -0.265 -1.026 1041 HG11 VAL 136 1HG1 VAL 136 5.102 0.331 -2.533 1042 HG12 VAL 136 2HG1 VAL 136 4.154 -0.666 -3.663 1043 HG13 VAL 136 3HG1 VAL 136 3.432 0.793 -2.942 1044 HG21 VAL 136 1HG2 VAL 136 3.435 -3.003 -1.936 1045 HG22 VAL 136 2HG2 VAL 136 1.892 -2.208 -1.542 1046 HG23 VAL 136 3HG2 VAL 136 2.614 -2.001 -3.156 1047 H GLY 137 H GLY 137 6.818 -0.332 -1.869 1048 HA2 GLY 137 1HA GLY 137 7.543 -2.778 -3.219 1049 HA3 GLY 137 2HA GLY 137 8.346 -1.222 -3.305 1050 H CYS 138 H CYS 138 8.012 -1.527 -0.062 1051 HA CYS 138 HA CYS 138 10.713 -2.439 0.221 1052 HB2 CYS 138 1HB CYS 138 8.717 -1.508 2.312 1053 HB3 CYS 138 2HB CYS 138 10.416 -1.828 2.600 1054 HG CYS 138 HG CYS 138 10.369 -0.160 0.007 1055 H ALA 139 H ALA 139 7.459 -3.340 1.599 1056 HA ALA 139 HA ALA 139 8.270 -5.667 2.847 1057 HB1 ALA 139 1HB ALA 139 6.144 -4.786 3.385 1058 HB2 ALA 139 2HB ALA 139 5.650 -4.694 1.677 1059 HB3 ALA 139 3HB ALA 139 5.778 -6.276 2.483 1060 H PHE 140 H PHE 140 7.027 -5.130 -0.514 1061 HA PHE 140 HA PHE 140 6.908 -7.720 -1.345 1062 HB2 PHE 140 1HB PHE 140 6.781 -5.117 -2.400 1063 HB3 PHE 140 2HB PHE 140 8.195 -5.758 -3.214 1064 HD1 PHE 140 2HD PHE 140 4.644 -6.635 -2.486 1065 HD2 PHE 140 1HD PHE 140 7.919 -6.980 -5.163 1066 HE1 PHE 140 2HE PHE 140 3.163 -7.792 -4.150 1067 HE2 PHE 140 1HE PHE 140 6.438 -8.137 -6.826 1068 HZ PHE 140 HZ PHE 140 4.077 -8.529 -6.300 1069 H ALA 141 H ALA 141 9.770 -5.497 -1.711 1070 HA ALA 141 HA ALA 141 11.488 -7.358 -2.785 1071 HB1 ALA 141 1HB ALA 141 13.266 -5.834 -1.904 1072 HB2 ALA 141 2HB ALA 141 11.949 -4.965 -2.727 1073 HB3 ALA 141 3HB ALA 141 12.025 -4.989 -0.949 1074 H ALA 142 H ALA 142 10.555 -6.739 0.625 1075 HA ALA 142 HA ALA 142 12.541 -8.416 1.733 1076 HB1 ALA 142 1HB ALA 142 11.400 -8.028 3.782 1077 HB2 ALA 142 2HB ALA 142 11.177 -6.537 2.837 1078 HB3 ALA 142 3HB ALA 142 9.853 -7.721 2.956 1079 H CYS 143 H CYS 143 8.949 -8.884 1.359 1080 HA CYS 143 HA CYS 143 8.870 -11.499 2.094 1081 HB2 CYS 143 1HB CYS 143 6.887 -10.078 1.678 1082 HB3 CYS 143 2HB CYS 143 7.178 -10.167 -0.048 1083 HG CYS 143 HG CYS 143 6.531 -12.472 -0.491 1084 H LEU 144 H LEU 144 9.407 -10.073 -1.204 1085 HA LEU 144 HA LEU 144 9.667 -12.506 -2.537 1086 HB2 LEU 144 1HB LEU 144 10.629 -9.710 -3.098 1087 HB3 LEU 144 2HB LEU 144 10.971 -11.039 -4.188 1088 HG LEU 144 HG LEU 144 8.312 -9.805 -3.498 1089 HD11 LEU 144 1HD1 LEU 144 9.270 -8.719 -5.327 1090 HD12 LEU 144 2HD1 LEU 144 9.918 -10.229 -6.011 1091 HD13 LEU 144 3HD1 LEU 144 8.169 -9.907 -6.066 1092 HD21 LEU 144 1HD2 LEU 144 8.854 -12.612 -4.332 1093 HD22 LEU 144 2HD2 LEU 144 7.532 -11.934 -3.351 1094 HD23 LEU 144 3HD2 LEU 144 7.505 -11.760 -5.122 1095 H GLU 145 H GLU 145 11.954 -10.543 -0.619 1096 HA GLU 145 HA GLU 145 14.247 -11.864 -1.481 1097 HB2 GLU 145 1HB GLU 145 13.485 -9.976 0.669 1098 HB3 GLU 145 2HB GLU 145 14.819 -11.025 1.108 1099 HG2 GLU 145 1HG GLU 145 15.448 -10.270 -1.520 1100 HG3 GLU 145 2HG GLU 145 14.740 -8.814 -0.849 1101 H ARG 146 H ARG 146 11.579 -12.983 0.329 1102 HA ARG 146 HA ARG 146 13.172 -14.815 1.874 1103 HB2 ARG 146 1HB ARG 146 11.295 -15.082 3.210 1104 HB3 ARG 146 2HB ARG 146 10.866 -13.538 2.501 1105 HG2 ARG 146 1HG ARG 146 9.799 -15.055 0.581 1106 HG3 ARG 146 2HG ARG 146 9.816 -16.293 1.821 1107 HD2 ARG 146 1HD ARG 146 8.587 -14.673 3.361 1108 HD3 ARG 146 2HD ARG 146 8.456 -13.563 2.011 1109 HE ARG 146 HE ARG 146 6.754 -14.894 1.120 1110 HH11 ARG 146 2HH2 ARG 146 8.587 -16.795 3.445 1111 HH12 ARG 146 1HH2 ARG 146 7.515 -18.154 3.372 1112 HH21 ARG 146 2HH1 ARG 146 5.339 -16.686 1.023 1113 HH22 ARG 146 1HH1 ARG 146 5.655 -18.091 1.985 1114 H LYS 147 H LYS 147 11.276 -14.615 -1.090 1115 HA LYS 147 HA LYS 147 11.249 -17.531 -1.317 1116 HB2 LYS 147 1HB LYS 147 9.373 -17.349 -2.566 1117 HB3 LYS 147 2HB LYS 147 9.216 -15.826 -1.713 1118 HG2 LYS 147 1HG LYS 147 10.283 -14.614 -3.578 1119 HG3 LYS 147 2HG LYS 147 10.616 -16.119 -4.412 1120 HD2 LYS 147 1HD LYS 147 8.246 -16.554 -4.756 1121 HD3 LYS 147 2HD LYS 147 7.786 -15.252 -3.678 1122 HE2 LYS 147 1HE LYS 147 7.731 -13.859 -5.468 1123 HE3 LYS 147 2HE LYS 147 9.471 -14.024 -5.600 1124 HZ1 LYS 147 1HZ LYS 147 9.214 -15.804 -7.081 1125 HZ2 LYS 147 2HZ LYS 147 7.617 -15.965 -6.781 1126 HZ3 LYS 147 3HZ LYS 147 8.167 -14.661 -7.596 1127 H GLN 148 H GLN 148 12.136 -14.524 -3.144 1128 HA GLN 148 HA GLN 148 13.333 -15.801 -5.246 1129 HB2 GLN 148 1HB GLN 148 13.898 -13.105 -3.951 1130 HB3 GLN 148 2HB GLN 148 14.669 -13.610 -5.442 1131 HG2 GLN 148 1HG GLN 148 11.861 -14.141 -5.735 1132 HG3 GLN 148 2HG GLN 148 12.005 -12.531 -5.059 1133 HE21 GLN 148 1HE2 GLN 148 12.988 -10.897 -6.193 1134 HE22 GLN 148 2HE2 GLN 148 13.371 -10.990 -7.880 1135 H LYS 149 H LYS 149 15.961 -15.120 -5.579 1136 HA LYS 149 HA LYS 149 17.236 -16.807 -3.578 1137 HB2 LYS 149 1HB LYS 149 18.985 -17.109 -5.196 1138 HB3 LYS 149 2HB LYS 149 17.442 -17.367 -5.985 1139 HG2 LYS 149 1HG LYS 149 17.517 -15.234 -7.087 1140 HG3 LYS 149 2HG LYS 149 18.784 -14.637 -6.033 1141 HD2 LYS 149 1HD LYS 149 20.397 -15.461 -7.399 1142 HD3 LYS 149 2HD LYS 149 19.705 -17.069 -7.330 1143 HE2 LYS 149 1HE LYS 149 18.099 -16.489 -9.133 1144 HE3 LYS 149 2HE LYS 149 18.698 -14.842 -9.166 1145 HZ1 LYS 149 1HZ LYS 149 20.812 -16.684 -9.421 1146 HZ2 LYS 149 2HZ LYS 149 19.682 -16.953 -10.570 1147 HZ3 LYS 149 3HZ LYS 149 20.370 -15.478 -10.430 1148 H ARG 150 H ARG 150 19.626 -16.124 -3.071 1149 HA ARG 150 HA ARG 150 19.398 -13.629 -1.802 1150 HB2 ARG 150 1HB ARG 150 21.665 -14.110 -0.951 1151 HB3 ARG 150 2HB ARG 150 20.685 -15.559 -0.856 1152 HG2 ARG 150 1HG ARG 150 21.660 -16.264 -3.114 1153 HG3 ARG 150 2HG ARG 150 22.753 -14.899 -3.001 1154 HD2 ARG 150 1HD ARG 150 24.063 -15.906 -1.396 1155 HD3 ARG 150 2HD ARG 150 22.688 -16.592 -0.553 1156 HE ARG 150 HE ARG 150 22.948 -17.937 -3.061 1157 HH11 ARG 150 2HH2 ARG 150 24.640 -17.633 0.009 1158 HH12 ARG 150 1HH2 ARG 150 25.358 -19.207 -0.085 1159 HH21 ARG 150 2HH1 ARG 150 23.894 -20.013 -3.186 1160 HH22 ARG 150 1HH1 ARG 150 24.931 -20.570 -1.914 1161 H SER 151 H SER 151 21.329 -11.965 -1.993 1162 HA SER 151 HA SER 151 22.421 -10.501 -3.164 1163 HB2 SER 151 1HB SER 151 22.790 -12.820 -5.103 1164 HB3 SER 151 2HB SER 151 23.549 -11.259 -5.346 1165 HG SER 151 HG SER 151 24.956 -12.762 -4.234 1166 H GLY 152 H GLY 152 22.082 -8.879 -4.842 1167 HA2 GLY 152 1HA GLY 152 20.318 -9.273 -7.018 1168 HA3 GLY 152 2HA GLY 152 19.446 -8.565 -5.674 1169 HA PRO 153 HA PRO 153 21.747 -5.274 -7.926 1170 HB2 PRO 153 1HB PRO 153 19.663 -3.988 -9.139 1171 HB3 PRO 153 2HB PRO 153 20.660 -5.176 -9.954 1172 HG2 PRO 153 1HG PRO 153 17.906 -5.464 -8.919 1173 HG3 PRO 153 2HG PRO 153 18.750 -6.463 -10.086 1174 HD2 PRO 153 1HD PRO 153 18.259 -7.087 -7.330 1175 HD3 PRO 153 2HD PRO 153 19.202 -8.030 -8.466 1176 H SER 154 H SER 154 21.431 -2.783 -7.803 1177 HA SER 154 HA SER 154 19.978 -2.292 -5.331 1178 HB2 SER 154 1HB SER 154 22.630 -2.507 -5.206 1179 HB3 SER 154 2HB SER 154 22.597 -0.879 -5.854 1180 HG SER 154 HG SER 154 21.272 -0.225 -4.045 1181 H SER 155 H SER 155 21.860 -0.708 -8.020 1182 HA SER 155 HA SER 155 21.407 0.968 -9.323 1183 HB2 SER 155 1HB SER 155 18.975 -0.333 -9.150 1184 HB3 SER 155 2HB SER 155 18.525 1.287 -8.659 1185 HG SER 155 HG SER 155 18.855 2.032 -10.657 1186 H GLY 156 H GLY 156 22.602 2.544 -8.167 1187 HA2 GLY 156 1HA GLY 156 21.106 4.699 -7.060 1188 HA3 GLY 156 2HA GLY 156 21.895 3.773 -5.799 Start of MODEL 19 1 H1 GLY 1 H GLY 1 14.708 3.165 -13.481 2 HA2 GLY 1 1HA GLY 1 17.477 3.953 -13.640 3 HA3 GLY 1 2HA GLY 1 16.649 4.577 -12.228 4 H SER 2 H SER 2 15.158 2.806 -11.080 5 HA SER 2 HA SER 2 14.946 0.870 -10.095 6 HB2 SER 2 1HB SER 2 15.680 0.003 -12.540 7 HB3 SER 2 2HB SER 2 17.101 -0.527 -11.662 8 HG SER 2 HG SER 2 15.144 -1.319 -10.104 9 H SER 3 H SER 3 18.437 1.215 -11.088 10 HA SER 3 HA SER 3 20.276 1.315 -9.942 11 HB2 SER 3 1HB SER 3 18.796 3.095 -8.665 12 HB3 SER 3 2HB SER 3 18.803 1.919 -7.366 13 HG SER 3 HG SER 3 20.652 3.713 -7.769 14 H GLY 4 H GLY 4 21.522 0.284 -7.972 15 HA2 GLY 4 1HA GLY 4 20.327 -1.808 -6.502 16 HA3 GLY 4 2HA GLY 4 21.059 -2.465 -7.952 17 H SER 5 H SER 5 21.671 -0.618 -4.943 18 HA SER 5 HA SER 5 24.268 -1.771 -4.828 19 HB2 SER 5 1HB SER 5 23.891 1.193 -5.333 20 HB3 SER 5 2HB SER 5 25.272 0.632 -4.411 21 HG SER 5 HG SER 5 26.214 -0.025 -6.216 22 H SER 6 H SER 6 24.564 -2.315 -2.695 23 HA SER 6 HA SER 6 22.701 -1.495 -0.792 24 HB2 SER 6 1HB SER 6 24.213 -2.704 0.819 25 HB3 SER 6 2HB SER 6 23.779 -3.653 -0.589 26 HG SER 6 HG SER 6 25.824 -3.501 -1.399 27 H GLY 7 H GLY 7 22.882 -0.024 0.978 28 HA2 GLY 7 1HA GLY 7 25.119 1.259 1.898 29 HA3 GLY 7 2HA GLY 7 24.608 2.215 0.522 30 H ALA 8 H ALA 8 24.125 1.578 3.863 31 HA ALA 8 HA ALA 8 21.438 2.700 3.869 32 HB1 ALA 8 1HB ALA 8 21.788 2.246 6.408 33 HB2 ALA 8 2HB ALA 8 21.618 0.850 5.315 34 HB3 ALA 8 3HB ALA 8 23.229 1.338 5.892 35 H SER 9 H SER 9 21.543 4.889 3.450 36 HA SER 9 HA SER 9 22.456 6.528 5.490 37 HB2 SER 9 1HB SER 9 24.263 7.754 4.221 38 HB3 SER 9 2HB SER 9 24.710 6.133 4.715 39 HG SER 9 HG SER 9 25.144 5.767 2.658 40 H ARG 10 H ARG 10 20.338 7.392 5.221 41 HA ARG 10 HA ARG 10 20.172 9.367 3.218 42 HB2 ARG 10 1HB ARG 10 18.932 6.765 2.711 43 HB3 ARG 10 2HB ARG 10 17.696 8.004 2.809 44 HG2 ARG 10 1HG ARG 10 19.747 9.201 1.280 45 HG3 ARG 10 2HG ARG 10 19.707 7.543 0.713 46 HD2 ARG 10 1HD ARG 10 16.982 8.243 0.922 47 HD3 ARG 10 2HD ARG 10 17.739 9.699 0.307 48 HE ARG 10 HE ARG 10 18.819 7.540 -1.177 49 HH11 ARG 10 2HH2 ARG 10 15.687 9.065 -0.682 50 HH12 ARG 10 1HH2 ARG 10 15.089 8.641 -2.251 51 HH21 ARG 10 2HH1 ARG 10 18.031 6.980 -3.248 52 HH22 ARG 10 1HH1 ARG 10 16.432 7.447 -3.721 53 HA PRO 11 HA PRO 11 17.372 10.944 6.169 54 HB2 PRO 11 1HB PRO 11 15.632 12.474 4.720 55 HB3 PRO 11 2HB PRO 11 17.248 13.002 5.144 56 HG2 PRO 11 1HG PRO 11 16.231 12.062 2.533 57 HG3 PRO 11 2HG PRO 11 17.684 12.978 2.880 58 HD2 PRO 11 1HD PRO 11 17.524 10.180 2.270 59 HD3 PRO 11 2HD PRO 11 18.961 11.072 2.730 60 H HIS 12 H HIS 12 14.832 11.476 6.588 61 HA HIS 12 HA HIS 12 13.703 8.814 6.300 62 HB2 HIS 12 1HB HIS 12 12.615 11.101 7.950 63 HB3 HIS 12 2HB HIS 12 12.246 9.394 8.096 64 HD1 HIS 12 1HD HIS 12 13.511 11.380 10.341 65 HD2 HIS 12 2HD HIS 12 15.512 8.422 8.141 66 HE1 HIS 12 1HE HIS 12 15.565 10.738 11.711 67 H GLN 13 H GLN 13 12.332 8.400 4.648 68 HA GLN 13 HA GLN 13 10.122 9.895 4.113 69 HB2 GLN 13 1HB GLN 13 10.799 10.855 1.821 70 HB3 GLN 13 2HB GLN 13 11.362 11.722 3.236 71 HG2 GLN 13 1HG GLN 13 13.588 10.864 3.029 72 HG3 GLN 13 2HG GLN 13 13.086 9.570 1.959 73 HE21 GLN 13 1HE2 GLN 13 14.996 10.586 0.828 74 HE22 GLN 13 2HE2 GLN 13 14.671 11.814 -0.349 75 H TRP 14 H TRP 14 12.746 7.797 2.904 76 HA TRP 14 HA TRP 14 10.685 6.102 1.694 77 HB2 TRP 14 1HB TRP 14 13.285 6.919 0.386 78 HB3 TRP 14 2HB TRP 14 12.253 5.619 -0.176 79 HD1 TRP 14 HD TRP 14 11.535 9.376 0.712 80 HE1 TRP 14 1HE TRP 14 10.046 10.489 -1.160 81 HE3 TRP 14 3HE TRP 14 11.180 5.227 -2.207 82 HZ2 TRP 14 2HZ TRP 14 8.912 9.531 -3.598 83 HZ3 TRP 14 3HZ TRP 14 9.863 5.401 -4.316 84 HH2 TRP 14 HH TRP 14 8.752 7.459 -5.027 85 H GLN 15 H GLN 15 14.150 6.490 2.716 86 HA GLN 15 HA GLN 15 14.693 3.810 2.950 87 HB2 GLN 15 1HB GLN 15 16.557 5.241 3.025 88 HB3 GLN 15 2HB GLN 15 15.824 6.316 4.198 89 HG2 GLN 15 1HG GLN 15 16.477 5.031 5.997 90 HG3 GLN 15 2HG GLN 15 16.198 3.519 5.157 91 HE21 GLN 15 1HE2 GLN 15 17.723 2.949 3.416 92 HE22 GLN 15 2HE2 GLN 15 19.404 3.319 3.616 93 H THR 16 H THR 16 13.224 6.128 5.282 94 HA THR 16 HA THR 16 13.269 4.504 7.537 95 HB THR 16 HB THR 16 12.744 6.915 7.573 96 HG1 THR 16 1HG THR 16 11.762 5.550 9.215 97 HG21 THR 16 1HG2 THR 16 10.843 7.877 6.562 98 HG22 THR 16 2HG2 THR 16 11.291 6.666 5.337 99 HG23 THR 16 3HG2 THR 16 9.978 6.323 6.488 100 H ASP 17 H ASP 17 11.442 4.190 4.578 101 HA ASP 17 HA ASP 17 9.410 2.625 5.822 102 HB2 ASP 17 1HB ASP 17 10.121 2.975 2.871 103 HB3 ASP 17 2HB ASP 17 8.645 2.248 3.476 104 H GLU 18 H GLU 18 12.658 2.195 4.799 105 HA GLU 18 HA GLU 18 12.316 -0.500 3.894 106 HB2 GLU 18 1HB GLU 18 14.782 1.227 4.364 107 HB3 GLU 18 2HB GLU 18 14.865 -0.425 3.785 108 HG2 GLU 18 1HG GLU 18 12.911 0.893 2.162 109 HG3 GLU 18 2HG GLU 18 14.262 2.000 2.295 110 H GLU 19 H GLU 19 13.265 1.280 6.833 111 HA GLU 19 HA GLU 19 14.217 -1.096 8.099 112 HB2 GLU 19 1HB GLU 19 14.875 0.305 9.874 113 HB3 GLU 19 2HB GLU 19 15.025 1.351 8.475 114 HG2 GLU 19 1HG GLU 19 12.752 2.297 8.940 115 HG3 GLU 19 2HG GLU 19 12.607 1.254 10.342 116 H GLY 20 H GLY 20 11.333 1.075 8.274 117 HA2 GLY 20 1HA GLY 20 10.046 -0.158 10.424 118 HA3 GLY 20 2HA GLY 20 9.286 0.769 9.146 119 H VAL 21 H VAL 21 10.564 -1.216 7.100 120 HA VAL 21 HA VAL 21 8.365 -3.111 7.269 121 HB VAL 21 HB VAL 21 8.792 -1.769 5.228 122 HG11 VAL 21 1HG1 VAL 21 11.177 -1.602 5.191 123 HG12 VAL 21 2HG1 VAL 21 11.365 -3.371 5.162 124 HG13 VAL 21 3HG1 VAL 21 10.693 -2.525 3.748 125 HG21 VAL 21 1HG2 VAL 21 9.238 -4.692 4.608 126 HG22 VAL 21 2HG2 VAL 21 7.709 -4.105 5.303 127 HG23 VAL 21 3HG2 VAL 21 8.261 -3.496 3.724 128 H ARG 22 H ARG 22 11.632 -2.843 8.206 129 HA ARG 22 HA ARG 22 12.059 -5.682 7.827 130 HB2 ARG 22 1HB ARG 22 14.316 -5.217 7.760 131 HB3 ARG 22 2HB ARG 22 13.773 -3.588 7.409 132 HG2 ARG 22 1HG ARG 22 13.784 -3.125 9.920 133 HG3 ARG 22 2HG ARG 22 14.510 -4.702 10.155 134 HD2 ARG 22 1HD ARG 22 16.027 -3.382 8.098 135 HD3 ARG 22 2HD ARG 22 15.799 -2.219 9.390 136 HE ARG 22 HE ARG 22 17.133 -3.540 10.809 137 HH11 ARG 22 2HH2 ARG 22 16.290 -5.370 7.924 138 HH12 ARG 22 1HH2 ARG 22 17.386 -6.665 8.270 139 HH21 ARG 22 2HH1 ARG 22 18.580 -5.249 11.266 140 HH22 ARG 22 1HH1 ARG 22 18.698 -6.596 10.184 141 H THR 23 H THR 23 11.595 -3.118 10.258 142 HA THR 23 HA THR 23 12.026 -5.056 12.417 143 HB THR 23 HB THR 23 13.248 -2.879 12.508 144 HG1 THR 23 1HG THR 23 12.283 -2.352 14.655 145 HG21 THR 23 1HG2 THR 23 10.809 -1.339 13.197 146 HG22 THR 23 2HG2 THR 23 12.224 -0.837 12.241 147 HG23 THR 23 3HG2 THR 23 10.908 -1.754 11.469 148 H GLY 24 H GLY 24 9.563 -2.976 10.868 149 HA2 GLY 24 1HA GLY 24 7.319 -3.822 10.831 150 HA3 GLY 24 2HA GLY 24 7.538 -4.420 12.463 151 H LYS 25 H LYS 25 7.646 -1.338 10.546 152 HA LYS 25 HA LYS 25 5.809 -0.040 12.174 153 HB2 LYS 25 1HB LYS 25 7.366 1.590 13.304 154 HB3 LYS 25 2HB LYS 25 7.337 -0.027 13.979 155 HG2 LYS 25 1HG LYS 25 9.633 0.243 13.833 156 HG3 LYS 25 2HG LYS 25 9.347 -0.422 12.236 157 HD2 LYS 25 1HD LYS 25 9.624 1.643 11.164 158 HD3 LYS 25 2HD LYS 25 9.106 2.565 12.561 159 HE2 LYS 25 1HE LYS 25 11.629 0.955 12.865 160 HE3 LYS 25 2HE LYS 25 11.713 2.362 11.823 161 HZ1 LYS 25 1HZ LYS 25 11.190 3.749 13.556 162 HZ2 LYS 25 2HZ LYS 25 10.499 2.583 14.466 163 HZ3 LYS 25 3HZ LYS 25 12.123 2.638 14.304 164 H CYS 26 H CYS 26 6.363 -0.516 9.398 165 HA CYS 26 HA CYS 26 7.280 2.093 8.482 166 HB2 CYS 26 1HB CYS 26 8.383 0.282 7.366 167 HB3 CYS 26 2HB CYS 26 6.870 -0.543 7.045 168 HG CYS 26 HG CYS 26 6.807 2.523 6.130 169 H SER 27 H SER 27 5.238 3.066 9.406 170 HA SER 27 HA SER 27 3.061 2.646 7.517 171 HB2 SER 27 1HB SER 27 1.417 2.752 9.248 172 HB3 SER 27 2HB SER 27 2.630 1.625 9.822 173 HG SER 27 HG SER 27 3.499 3.231 11.195 174 H PHE 28 H PHE 28 1.743 4.590 7.107 175 HA PHE 28 HA PHE 28 2.808 7.059 8.213 176 HB2 PHE 28 1HB PHE 28 2.469 7.688 5.534 177 HB3 PHE 28 2HB PHE 28 4.019 7.250 6.224 178 HD1 PHE 28 1HD PHE 28 4.658 4.752 6.178 179 HD2 PHE 28 2HD PHE 28 1.549 6.410 3.813 180 HE1 PHE 28 1HE PHE 28 4.797 2.789 4.620 181 HE2 PHE 28 2HE PHE 28 1.688 4.446 2.255 182 HZ PHE 28 HZ PHE 28 3.310 2.660 2.677 183 HA PRO 29 HA PRO 29 -1.319 8.329 7.873 184 HB2 PRO 29 1HB PRO 29 -1.156 11.012 7.376 185 HB3 PRO 29 2HB PRO 29 -0.921 10.316 8.967 186 HG2 PRO 29 1HG PRO 29 1.101 11.380 7.093 187 HG3 PRO 29 2HG PRO 29 1.248 11.082 8.813 188 HD2 PRO 29 1HD PRO 29 2.306 9.463 6.695 189 HD3 PRO 29 2HD PRO 29 2.352 9.106 8.410 190 H VAL 30 H VAL 30 -2.752 7.629 6.432 191 HA VAL 30 HA VAL 30 -2.679 8.989 3.865 192 HB VAL 30 HB VAL 30 -2.487 7.079 2.563 193 HG11 VAL 30 1HG1 VAL 30 -0.620 6.508 4.888 194 HG12 VAL 30 2HG1 VAL 30 -0.392 6.046 3.184 195 HG13 VAL 30 3HG1 VAL 30 -0.349 7.763 3.654 196 HG21 VAL 30 1HG2 VAL 30 -2.651 4.786 3.350 197 HG22 VAL 30 2HG2 VAL 30 -2.811 5.342 5.033 198 HG23 VAL 30 3HG2 VAL 30 -4.095 5.696 3.852 199 H LYS 31 H LYS 31 -4.695 7.971 2.521 200 HA LYS 31 HA LYS 31 -6.887 7.739 4.463 201 HB2 LYS 31 1HB LYS 31 -6.666 9.450 1.988 202 HB3 LYS 31 2HB LYS 31 -8.225 8.964 2.620 203 HG2 LYS 31 1HG LYS 31 -8.116 10.539 4.247 204 HG3 LYS 31 2HG LYS 31 -6.594 9.892 4.828 205 HD2 LYS 31 1HD LYS 31 -6.252 12.221 4.171 206 HD3 LYS 31 2HD LYS 31 -5.378 11.191 3.055 207 HE2 LYS 31 1HE LYS 31 -6.510 12.128 1.329 208 HE3 LYS 31 2HE LYS 31 -8.004 11.467 1.964 209 HZ1 LYS 31 1HZ LYS 31 -8.433 13.402 3.114 210 HZ2 LYS 31 2HZ LYS 31 -6.890 13.933 3.067 211 HZ3 LYS 31 3HZ LYS 31 -7.806 13.963 1.715 212 H TYR 32 H TYR 32 -8.637 6.352 3.871 213 HA TYR 32 HA TYR 32 -7.819 4.365 1.886 214 HB2 TYR 32 1HB TYR 32 -8.362 3.779 4.315 215 HB3 TYR 32 2HB TYR 32 -9.958 4.471 4.104 216 HD1 TYR 32 2HD TYR 32 -8.253 2.406 1.537 217 HD2 TYR 32 1HD TYR 32 -11.220 2.501 4.619 218 HE1 TYR 32 2HE TYR 32 -9.136 0.149 0.767 219 HE2 TYR 32 1HE TYR 32 -12.092 0.244 3.838 220 HH TYR 32 HH TYR 32 -10.900 -1.794 2.539 221 H LEU 33 H LEU 33 -8.592 4.804 -0.134 222 HA LEU 33 HA LEU 33 -11.012 6.272 -0.480 223 HB2 LEU 33 1HB LEU 33 -9.243 4.810 -2.445 224 HB3 LEU 33 2HB LEU 33 -10.588 5.845 -2.879 225 HG LEU 33 HG LEU 33 -8.253 6.857 -1.249 226 HD11 LEU 33 1HD1 LEU 33 -7.224 7.675 -3.287 227 HD12 LEU 33 2HD1 LEU 33 -7.397 5.905 -3.356 228 HD13 LEU 33 3HD1 LEU 33 -8.518 6.945 -4.267 229 HD21 LEU 33 1HD2 LEU 33 -9.232 8.926 -2.772 230 HD22 LEU 33 2HD2 LEU 33 -10.705 8.013 -2.364 231 HD23 LEU 33 3HD2 LEU 33 -9.635 8.602 -1.069 232 H GLY 34 H GLY 34 -9.971 2.850 -1.095 233 HA2 GLY 34 1HA GLY 34 -11.994 1.455 -0.110 234 HA3 GLY 34 2HA GLY 34 -12.751 2.093 -1.556 235 H HIS 35 H HIS 35 -12.938 0.007 -2.547 236 HA HIS 35 HA HIS 35 -10.429 -0.864 -3.721 237 HB2 HIS 35 1HB HIS 35 -11.299 -3.285 -3.314 238 HB3 HIS 35 2HB HIS 35 -10.404 -2.448 -2.062 239 HD1 HIS 35 1HD HIS 35 -11.414 -3.284 0.077 240 HD2 HIS 35 2HD HIS 35 -14.325 -2.187 -2.737 241 HE1 HIS 35 1HE HIS 35 -13.665 -3.489 1.260 242 H VAL 36 H VAL 36 -10.653 -1.578 -5.851 243 HA VAL 36 HA VAL 36 -13.411 -1.759 -6.835 244 HB VAL 36 HB VAL 36 -12.837 -0.471 -8.767 245 HG11 VAL 36 1HG1 VAL 36 -13.032 0.571 -6.189 246 HG12 VAL 36 2HG1 VAL 36 -11.654 1.440 -6.906 247 HG13 VAL 36 3HG1 VAL 36 -13.240 1.463 -7.715 248 HG21 VAL 36 1HG2 VAL 36 -10.047 -0.716 -7.708 249 HG22 VAL 36 2HG2 VAL 36 -10.655 -0.848 -9.375 250 HG23 VAL 36 3HG2 VAL 36 -10.486 0.752 -8.615 251 H GLU 37 H GLU 37 -13.549 -2.972 -8.939 252 HA GLU 37 HA GLU 37 -11.832 -5.246 -8.726 253 HB2 GLU 37 1HB GLU 37 -14.455 -4.616 -9.881 254 HB3 GLU 37 2HB GLU 37 -13.486 -5.571 -10.986 255 HG2 GLU 37 1HG GLU 37 -13.887 -7.431 -9.758 256 HG3 GLU 37 2HG GLU 37 -13.118 -6.695 -8.366 257 H VAL 38 H VAL 38 -10.583 -6.143 -10.543 258 HA VAL 38 HA VAL 38 -9.788 -4.047 -12.446 259 HB VAL 38 HB VAL 38 -7.547 -4.990 -12.373 260 HG11 VAL 38 1HG1 VAL 38 -8.093 -4.604 -9.472 261 HG12 VAL 38 2HG1 VAL 38 -6.913 -3.803 -10.537 262 HG13 VAL 38 3HG1 VAL 38 -8.622 -3.306 -10.569 263 HG21 VAL 38 1HG2 VAL 38 -7.277 -6.559 -10.178 264 HG22 VAL 38 2HG2 VAL 38 -8.887 -7.072 -10.737 265 HG23 VAL 38 3HG2 VAL 38 -7.486 -7.190 -11.829 266 H ASP 39 H ASP 39 -8.668 -5.113 -14.457 267 HA ASP 39 HA ASP 39 -10.230 -7.486 -15.118 268 HB2 ASP 39 1HB ASP 39 -10.619 -5.056 -16.260 269 HB3 ASP 39 2HB ASP 39 -9.296 -5.601 -17.272 270 H GLU 40 H GLU 40 -7.202 -5.597 -15.320 271 HA GLU 40 HA GLU 40 -5.947 -7.765 -16.783 272 HB2 GLU 40 1HB GLU 40 -3.993 -5.848 -16.496 273 HB3 GLU 40 2HB GLU 40 -5.085 -5.957 -17.862 274 HG2 GLU 40 1HG GLU 40 -5.115 -3.667 -16.977 275 HG3 GLU 40 2HG GLU 40 -6.681 -4.410 -16.718 276 H SER 41 H SER 41 -5.976 -6.034 -13.662 277 HA SER 41 HA SER 41 -5.389 -6.885 -11.695 278 HB2 SER 41 1HB SER 41 -5.103 -9.181 -13.048 279 HB3 SER 41 2HB SER 41 -3.397 -8.846 -12.825 280 HG SER 41 HG SER 41 -4.453 -8.401 -10.433 281 H ARG 42 H ARG 42 -3.161 -6.198 -14.351 282 HA ARG 42 HA ARG 42 -1.500 -4.801 -12.435 283 HB2 ARG 42 1HB ARG 42 -0.299 -6.355 -14.771 284 HB3 ARG 42 2HB ARG 42 0.561 -5.607 -13.439 285 HG2 ARG 42 1HG ARG 42 0.532 -7.744 -12.587 286 HG3 ARG 42 2HG ARG 42 -1.050 -7.263 -12.006 287 HD2 ARG 42 1HD ARG 42 -1.481 -9.326 -13.093 288 HD3 ARG 42 2HD ARG 42 -1.962 -8.140 -14.291 289 HE ARG 42 HE ARG 42 0.778 -8.652 -14.754 290 HH11 ARG 42 2HH2 ARG 42 -2.241 -10.459 -14.809 291 HH12 ARG 42 1HH2 ARG 42 -1.697 -11.579 -16.014 292 HH21 ARG 42 2HH1 ARG 42 1.496 -10.128 -16.344 293 HH22 ARG 42 1HH1 ARG 42 0.443 -11.389 -16.893 294 H GLY 43 H GLY 43 -0.421 -2.899 -13.347 295 HA2 GLY 43 1HA GLY 43 -0.064 -2.021 -15.811 296 HA3 GLY 43 2HA GLY 43 -1.807 -1.870 -15.703 297 H MET 44 H MET 44 0.939 -0.095 -15.454 298 HA MET 44 HA MET 44 0.693 1.220 -13.033 299 HB2 MET 44 1HB MET 44 1.740 2.161 -15.760 300 HB3 MET 44 2HB MET 44 2.021 3.032 -14.266 301 HG2 MET 44 1HG MET 44 3.453 1.363 -13.397 302 HG3 MET 44 2HG MET 44 2.761 0.099 -14.393 303 HE1 MET 44 1HE MET 44 2.758 -0.041 -16.649 304 HE2 MET 44 2HE MET 44 3.369 1.189 -17.782 305 HE3 MET 44 3HE MET 44 4.384 -0.210 -17.354 306 H HIS 45 H HIS 45 -0.971 1.638 -16.164 307 HA HIS 45 HA HIS 45 -2.118 4.142 -15.358 308 HB2 HIS 45 1HB HIS 45 -3.281 4.027 -17.512 309 HB3 HIS 45 2HB HIS 45 -1.553 3.796 -17.682 310 HD1 HIS 45 1HD HIS 45 -0.707 1.448 -18.454 311 HD2 HIS 45 2HD HIS 45 -4.879 1.769 -18.146 312 HE1 HIS 45 1HE HIS 45 -1.671 -0.604 -19.625 313 H ILE 46 H ILE 46 -2.750 0.760 -14.911 314 HA ILE 46 HA ILE 46 -5.560 0.868 -14.793 315 HB ILE 46 HB ILE 46 -3.616 -1.032 -13.477 316 HG12 ILE 46 1HG1 ILE 46 -3.416 -0.744 -15.989 317 HG13 ILE 46 2HG1 ILE 46 -3.709 -2.372 -15.410 318 HG21 ILE 46 1HG2 ILE 46 -6.495 -1.578 -14.204 319 HG22 ILE 46 2HG2 ILE 46 -5.397 -2.545 -13.190 320 HG23 ILE 46 3HG2 ILE 46 -6.005 -0.979 -12.601 321 HD11 ILE 46 1HD1 ILE 46 -6.086 -2.219 -15.961 322 HD12 ILE 46 2HD1 ILE 46 -5.916 -0.495 -16.370 323 HD13 ILE 46 3HD1 ILE 46 -5.139 -1.731 -17.387 324 H CYS 47 H CYS 47 -3.183 0.549 -12.058 325 HA CYS 47 HA CYS 47 -4.797 0.964 -9.995 326 HB2 CYS 47 1HB CYS 47 -2.800 2.290 -8.964 327 HB3 CYS 47 2HB CYS 47 -2.591 0.606 -9.400 328 HG CYS 47 HG CYS 47 -1.174 3.246 -10.400 329 H GLU 48 H GLU 48 -3.267 3.577 -12.012 330 HA GLU 48 HA GLU 48 -4.356 5.703 -10.692 331 HB2 GLU 48 1HB GLU 48 -3.706 5.395 -13.656 332 HB3 GLU 48 2HB GLU 48 -4.026 6.933 -12.879 333 HG2 GLU 48 1HG GLU 48 -2.131 6.346 -11.225 334 HG3 GLU 48 2HG GLU 48 -1.734 5.011 -12.289 335 H ASP 49 H ASP 49 -5.695 3.786 -13.456 336 HA ASP 49 HA ASP 49 -7.923 5.328 -13.871 337 HB2 ASP 49 1HB ASP 49 -6.955 2.663 -14.578 338 HB3 ASP 49 2HB ASP 49 -8.679 2.606 -14.272 339 H ALA 50 H ALA 50 -7.078 2.978 -11.355 340 HA ALA 50 HA ALA 50 -9.656 2.277 -10.515 341 HB1 ALA 50 1HB ALA 50 -8.542 1.151 -8.848 342 HB2 ALA 50 2HB ALA 50 -7.171 1.424 -9.950 343 HB3 ALA 50 3HB ALA 50 -7.411 2.492 -8.546 344 H VAL 51 H VAL 51 -7.327 4.772 -9.255 345 HA VAL 51 HA VAL 51 -8.873 5.831 -7.292 346 HB VAL 51 HB VAL 51 -7.115 7.351 -9.228 347 HG11 VAL 51 1HG1 VAL 51 -6.977 9.060 -7.685 348 HG12 VAL 51 2HG1 VAL 51 -8.659 8.532 -7.442 349 HG13 VAL 51 3HG1 VAL 51 -7.389 8.005 -6.312 350 HG21 VAL 51 1HG2 VAL 51 -6.497 5.433 -7.023 351 HG22 VAL 51 2HG2 VAL 51 -5.624 5.761 -8.540 352 HG23 VAL 51 3HG2 VAL 51 -5.476 6.885 -7.168 353 H LYS 52 H LYS 52 -8.756 7.034 -10.726 354 HA LYS 52 HA LYS 52 -10.704 8.897 -10.585 355 HB2 LYS 52 1HB LYS 52 -10.056 6.960 -12.823 356 HB3 LYS 52 2HB LYS 52 -11.137 8.327 -13.012 357 HG2 LYS 52 1HG LYS 52 -9.403 9.790 -13.163 358 HG3 LYS 52 2HG LYS 52 -8.664 9.172 -11.700 359 HD2 LYS 52 1HD LYS 52 -7.299 7.675 -12.843 360 HD3 LYS 52 2HD LYS 52 -8.463 7.420 -14.128 361 HE2 LYS 52 1HE LYS 52 -7.164 10.141 -13.850 362 HE3 LYS 52 2HE LYS 52 -6.246 8.834 -14.570 363 HZ1 LYS 52 1HZ LYS 52 -8.744 10.013 -15.512 364 HZ2 LYS 52 2HZ LYS 52 -7.346 9.793 -16.327 365 HZ3 LYS 52 3HZ LYS 52 -8.307 8.515 -15.994 366 H ARG 53 H ARG 53 -11.115 5.328 -10.851 367 HA ARG 53 HA ARG 53 -13.802 5.307 -11.291 368 HB2 ARG 53 1HB ARG 53 -11.819 3.411 -10.812 369 HB3 ARG 53 2HB ARG 53 -12.837 3.218 -9.399 370 HG2 ARG 53 1HG ARG 53 -14.847 3.091 -10.999 371 HG3 ARG 53 2HG ARG 53 -13.698 3.020 -12.320 372 HD2 ARG 53 1HD ARG 53 -13.686 0.762 -11.997 373 HD3 ARG 53 2HD ARG 53 -12.705 1.078 -10.580 374 HE ARG 53 HE ARG 53 -14.511 0.377 -9.294 375 HH11 ARG 53 2HH2 ARG 53 -15.755 1.719 -12.299 376 HH12 ARG 53 1HH2 ARG 53 -17.411 1.396 -11.907 377 HH21 ARG 53 2HH1 ARG 53 -16.695 -0.049 -8.775 378 HH22 ARG 53 1HH1 ARG 53 -17.949 0.384 -9.889 379 H LEU 54 H LEU 54 -12.018 5.144 -8.120 380 HA LEU 54 HA LEU 54 -14.398 5.259 -6.589 381 HB2 LEU 54 1HB LEU 54 -11.567 5.865 -5.735 382 HB3 LEU 54 2HB LEU 54 -12.919 5.453 -4.699 383 HG LEU 54 HG LEU 54 -11.926 3.544 -6.815 384 HD11 LEU 54 1HD1 LEU 54 -10.993 3.385 -3.960 385 HD12 LEU 54 2HD1 LEU 54 -10.323 2.615 -5.419 386 HD13 LEU 54 3HD1 LEU 54 -10.109 4.363 -5.157 387 HD21 LEU 54 1HD2 LEU 54 -13.856 2.600 -6.112 388 HD22 LEU 54 2HD2 LEU 54 -12.818 2.011 -4.792 389 HD23 LEU 54 3HD2 LEU 54 -13.838 3.449 -4.548 390 H LYS 55 H LYS 55 -12.839 7.550 -8.533 391 HA LYS 55 HA LYS 55 -13.466 9.789 -6.799 392 HB2 LYS 55 1HB LYS 55 -12.203 9.656 -9.553 393 HB3 LYS 55 2HB LYS 55 -12.440 11.124 -8.627 394 HG2 LYS 55 1HG LYS 55 -11.068 8.886 -7.184 395 HG3 LYS 55 2HG LYS 55 -10.166 9.605 -8.503 396 HD2 LYS 55 1HD LYS 55 -10.618 11.892 -7.476 397 HD3 LYS 55 2HD LYS 55 -11.350 11.082 -6.106 398 HE2 LYS 55 1HE LYS 55 -8.501 10.507 -7.039 399 HE3 LYS 55 2HE LYS 55 -8.879 11.719 -5.831 400 HZ1 LYS 55 1HZ LYS 55 -9.832 8.970 -5.542 401 HZ2 LYS 55 2HZ LYS 55 -8.336 9.399 -5.047 402 HZ3 LYS 55 3HZ LYS 55 -9.651 10.108 -4.386 403 H ALA 56 H ALA 56 -14.910 7.832 -9.282 404 HA ALA 56 HA ALA 56 -16.947 9.913 -9.695 405 HB1 ALA 56 1HB ALA 56 -17.437 8.410 -11.769 406 HB2 ALA 56 2HB ALA 56 -16.011 9.476 -11.807 407 HB3 ALA 56 3HB ALA 56 -15.816 7.739 -11.468 408 H THR 57 H THR 57 -16.224 7.211 -7.889 409 HA THR 57 HA THR 57 -18.664 5.752 -8.215 410 HB THR 57 HB THR 57 -16.213 5.091 -7.326 411 HG1 THR 57 1HG THR 57 -18.824 4.300 -6.240 412 HG21 THR 57 1HG2 THR 57 -17.727 5.366 -4.707 413 HG22 THR 57 2HG2 THR 57 -15.990 5.073 -4.965 414 HG23 THR 57 3HG2 THR 57 -16.672 6.692 -5.254 415 H GLY 58 H GLY 58 -17.694 8.634 -6.497 416 HA2 GLY 58 1HA GLY 58 -19.052 10.099 -5.409 417 HA3 GLY 58 2HA GLY 58 -20.392 8.977 -5.545 418 H LYS 59 H LYS 59 -17.086 8.692 -4.053 419 HA LYS 59 HA LYS 59 -18.438 8.150 -1.506 420 HB2 LYS 59 1HB LYS 59 -16.682 6.396 -3.069 421 HB3 LYS 59 2HB LYS 59 -16.124 6.628 -1.425 422 HG2 LYS 59 1HG LYS 59 -19.044 6.231 -1.551 423 HG3 LYS 59 2HG LYS 59 -18.170 4.887 -2.257 424 HD2 LYS 59 1HD LYS 59 -17.257 5.996 0.408 425 HD3 LYS 59 2HD LYS 59 -18.661 4.948 0.358 426 HE2 LYS 59 1HE LYS 59 -16.856 3.560 -1.244 427 HE3 LYS 59 2HE LYS 59 -15.795 4.283 -0.051 428 HZ1 LYS 59 1HZ LYS 59 -17.168 2.055 0.341 429 HZ2 LYS 59 2HZ LYS 59 -16.652 3.021 1.553 430 HZ3 LYS 59 3HZ LYS 59 -18.191 3.132 1.019 431 H LYS 60 H LYS 60 -16.079 7.874 0.042 432 HA LYS 60 HA LYS 60 -14.594 10.327 -0.472 433 HB2 LYS 60 1HB LYS 60 -16.344 9.812 1.928 434 HB3 LYS 60 2HB LYS 60 -14.924 10.831 2.059 435 HG2 LYS 60 1HG LYS 60 -15.789 12.207 0.113 436 HG3 LYS 60 2HG LYS 60 -17.245 11.231 0.112 437 HD2 LYS 60 1HD LYS 60 -18.086 12.230 2.011 438 HD3 LYS 60 2HD LYS 60 -16.514 12.343 2.778 439 HE2 LYS 60 1HE LYS 60 -16.048 14.421 1.854 440 HE3 LYS 60 2HE LYS 60 -16.906 14.076 0.366 441 HZ1 LYS 60 1HZ LYS 60 -18.799 14.847 1.218 442 HZ2 LYS 60 2HZ LYS 60 -18.564 14.201 2.699 443 HZ3 LYS 60 3HZ LYS 60 -17.849 15.615 2.302 444 H ALA 61 H ALA 61 -12.934 10.441 1.645 445 HA ALA 61 HA ALA 61 -11.756 7.747 1.696 446 HB1 ALA 61 1HB ALA 61 -9.929 9.953 2.267 447 HB2 ALA 61 2HB ALA 61 -9.806 8.665 1.044 448 HB3 ALA 61 3HB ALA 61 -10.720 10.150 0.685 449 H VAL 62 H VAL 62 -10.829 7.021 3.690 450 HA VAL 62 HA VAL 62 -11.953 8.437 5.992 451 HB VAL 62 HB VAL 62 -11.243 5.587 5.387 452 HG11 VAL 62 1HG1 VAL 62 -11.708 5.114 7.845 453 HG12 VAL 62 2HG1 VAL 62 -10.132 5.851 7.469 454 HG13 VAL 62 3HG1 VAL 62 -11.447 6.851 8.131 455 HG21 VAL 62 1HG2 VAL 62 -13.666 6.425 6.914 456 HG22 VAL 62 2HG2 VAL 62 -13.587 6.863 5.191 457 HG23 VAL 62 3HG2 VAL 62 -13.467 5.156 5.682 458 H LYS 63 H LYS 63 -10.611 8.598 7.966 459 HA LYS 63 HA LYS 63 -7.851 9.138 7.203 460 HB2 LYS 63 1HB LYS 63 -9.610 10.044 9.486 461 HB3 LYS 63 2HB LYS 63 -7.875 10.282 9.507 462 HG2 LYS 63 1HG LYS 63 -8.687 11.125 6.923 463 HG3 LYS 63 2HG LYS 63 -9.923 11.741 8.002 464 HD2 LYS 63 1HD LYS 63 -8.434 13.474 8.267 465 HD3 LYS 63 2HD LYS 63 -7.733 12.407 9.468 466 HE2 LYS 63 1HE LYS 63 -6.159 11.502 7.736 467 HE3 LYS 63 2HE LYS 63 -6.853 12.584 6.545 468 HZ1 LYS 63 1HZ LYS 63 -5.347 14.013 7.260 469 HZ2 LYS 63 2HZ LYS 63 -6.239 14.204 8.614 470 HZ3 LYS 63 3HZ LYS 63 -4.990 13.153 8.601 471 H ALA 64 H ALA 64 -6.604 7.325 7.312 472 HA ALA 64 HA ALA 64 -6.483 6.020 9.907 473 HB1 ALA 64 1HB ALA 64 -7.671 4.249 9.178 474 HB2 ALA 64 2HB ALA 64 -7.682 4.856 7.505 475 HB3 ALA 64 3HB ALA 64 -6.305 3.895 8.095 476 H VAL 65 H VAL 65 -4.503 4.479 9.928 477 HA VAL 65 HA VAL 65 -2.386 5.822 8.407 478 HB VAL 65 HB VAL 65 -2.428 4.345 11.038 479 HG11 VAL 65 1HG1 VAL 65 0.035 5.496 9.697 480 HG12 VAL 65 2HG1 VAL 65 -0.054 4.540 11.196 481 HG13 VAL 65 3HG1 VAL 65 -0.406 3.773 9.629 482 HG21 VAL 65 1HG2 VAL 65 -1.921 6.405 12.044 483 HG22 VAL 65 2HG2 VAL 65 -1.420 7.141 10.503 484 HG23 VAL 65 3HG2 VAL 65 -3.141 6.812 10.814 485 H LEU 66 H LEU 66 -1.366 4.728 6.805 486 HA LEU 66 HA LEU 66 -2.097 1.951 6.436 487 HB2 LEU 66 1HB LEU 66 -2.316 3.168 4.484 488 HB3 LEU 66 2HB LEU 66 -0.855 4.095 4.761 489 HG LEU 66 HG LEU 66 0.524 2.138 4.235 490 HD11 LEU 66 1HD1 LEU 66 -0.309 0.037 3.611 491 HD12 LEU 66 2HD1 LEU 66 -1.251 0.487 5.052 492 HD13 LEU 66 3HD1 LEU 66 -1.972 0.646 3.433 493 HD21 LEU 66 1HD2 LEU 66 -1.024 1.953 1.828 494 HD22 LEU 66 2HD2 LEU 66 -1.072 3.626 2.434 495 HD23 LEU 66 3HD2 LEU 66 0.493 2.833 2.131 496 H TRP 67 H TRP 67 -0.883 0.286 7.148 497 HA TRP 67 HA TRP 67 1.859 0.912 7.965 498 HB2 TRP 67 1HB TRP 67 0.024 -1.365 8.733 499 HB3 TRP 67 2HB TRP 67 1.685 -1.191 9.265 500 HD1 TRP 67 HD TRP 67 -1.666 0.791 9.568 501 HE1 TRP 67 1HE TRP 67 -1.752 2.122 11.844 502 HE3 TRP 67 3HE TRP 67 3.041 -0.422 11.059 503 HZ2 TRP 67 2HZ TRP 67 0.116 2.510 13.966 504 HZ3 TRP 67 3HZ TRP 67 3.833 0.474 13.247 505 HH2 TRP 67 HH TRP 67 2.455 1.893 14.683 506 H VAL 68 H VAL 68 3.609 -0.340 7.147 507 HA VAL 68 HA VAL 68 2.880 -2.153 4.954 508 HB VAL 68 HB VAL 68 5.181 -0.192 5.025 509 HG11 VAL 68 1HG1 VAL 68 4.197 -1.875 2.702 510 HG12 VAL 68 2HG1 VAL 68 5.668 -0.875 2.785 511 HG13 VAL 68 3HG1 VAL 68 5.539 -2.353 3.770 512 HG21 VAL 68 1HG2 VAL 68 2.401 0.009 3.984 513 HG22 VAL 68 2HG2 VAL 68 3.506 1.277 4.568 514 HG23 VAL 68 3HG2 VAL 68 3.698 0.617 2.926 515 H SER 69 H SER 69 3.656 -4.183 5.222 516 HA SER 69 HA SER 69 6.132 -4.471 6.679 517 HB2 SER 69 1HB SER 69 3.661 -6.106 7.397 518 HB3 SER 69 2HB SER 69 5.235 -6.202 8.162 519 HG SER 69 HG SER 69 3.179 -4.297 8.491 520 H ALA 70 H ALA 70 7.084 -6.704 6.364 521 HA ALA 70 HA ALA 70 7.011 -7.464 3.710 522 HB1 ALA 70 1HB ALA 70 8.454 -9.235 4.389 523 HB2 ALA 70 2HB ALA 70 8.772 -7.902 5.525 524 HB3 ALA 70 3HB ALA 70 7.759 -9.276 6.027 525 H ASP 71 H ASP 71 4.952 -8.362 6.453 526 HA ASP 71 HA ASP 71 3.938 -10.688 5.245 527 HB2 ASP 71 1HB ASP 71 2.973 -8.872 7.490 528 HB3 ASP 71 2HB ASP 71 2.038 -10.264 6.983 529 H GLY 72 H GLY 72 3.579 -7.321 4.655 530 HA2 GLY 72 1HA GLY 72 2.205 -7.031 2.545 531 HA3 GLY 72 2HA GLY 72 0.878 -7.650 3.508 532 H LEU 73 H LEU 73 -0.463 -5.916 3.877 533 HA LEU 73 HA LEU 73 0.792 -3.589 5.146 534 HB2 LEU 73 1HB LEU 73 -1.581 -3.188 3.400 535 HB3 LEU 73 2HB LEU 73 -0.290 -2.082 3.822 536 HG LEU 73 HG LEU 73 0.278 -4.457 2.063 537 HD11 LEU 73 1HD1 LEU 73 -0.211 -3.097 0.080 538 HD12 LEU 73 2HD1 LEU 73 -1.669 -3.394 1.057 539 HD13 LEU 73 3HD1 LEU 73 -0.861 -1.810 1.123 540 HD21 LEU 73 1HD2 LEU 73 1.829 -2.378 3.120 541 HD22 LEU 73 2HD2 LEU 73 2.291 -3.543 1.856 542 HD23 LEU 73 3HD2 LEU 73 1.598 -1.968 1.404 543 H ARG 74 H ARG 74 -1.176 -2.181 6.131 544 HA ARG 74 HA ARG 74 -3.297 -3.834 7.047 545 HB2 ARG 74 1HB ARG 74 -0.994 -3.053 8.856 546 HB3 ARG 74 2HB ARG 74 -2.606 -3.134 9.538 547 HG2 ARG 74 1HG ARG 74 -2.449 -5.500 8.049 548 HG3 ARG 74 2HG ARG 74 -0.820 -5.329 8.673 549 HD2 ARG 74 1HD ARG 74 -1.749 -5.047 10.992 550 HD3 ARG 74 2HD ARG 74 -3.371 -5.249 10.359 551 HE ARG 74 HE ARG 74 -3.005 -7.556 10.229 552 HH11 ARG 74 2HH2 ARG 74 0.099 -5.916 10.472 553 HH12 ARG 74 1HH2 ARG 74 1.005 -7.383 10.635 554 HH21 ARG 74 2HH1 ARG 74 -1.810 -9.491 10.444 555 HH22 ARG 74 1HH1 ARG 74 -0.087 -9.430 10.619 556 H VAL 75 H VAL 75 -4.983 -2.407 6.740 557 HA VAL 75 HA VAL 75 -4.492 0.424 6.982 558 HB VAL 75 HB VAL 75 -6.975 -1.156 6.283 559 HG11 VAL 75 1HG1 VAL 75 -6.363 1.806 6.018 560 HG12 VAL 75 2HG1 VAL 75 -7.784 0.988 5.325 561 HG13 VAL 75 3HG1 VAL 75 -7.569 1.056 7.091 562 HG21 VAL 75 1HG2 VAL 75 -4.684 -0.092 4.658 563 HG22 VAL 75 2HG2 VAL 75 -5.549 -1.642 4.531 564 HG23 VAL 75 3HG2 VAL 75 -6.314 -0.146 3.945 565 H VAL 76 H VAL 76 -4.083 0.808 9.191 566 HA VAL 76 HA VAL 76 -5.942 -0.193 11.142 567 HB VAL 76 HB VAL 76 -3.400 1.372 11.119 568 HG11 VAL 76 1HG1 VAL 76 -5.469 1.438 13.312 569 HG12 VAL 76 2HG1 VAL 76 -3.733 1.562 13.686 570 HG13 VAL 76 3HG1 VAL 76 -4.504 2.769 12.630 571 HG21 VAL 76 1HG2 VAL 76 -4.138 -0.859 12.999 572 HG22 VAL 76 2HG2 VAL 76 -3.729 -1.215 11.303 573 HG23 VAL 76 3HG2 VAL 76 -2.544 -0.400 12.352 574 H ASP 77 H ASP 77 -7.227 1.200 12.565 575 HA ASP 77 HA ASP 77 -8.206 3.467 11.048 576 HB2 ASP 77 1HB ASP 77 -9.731 1.571 11.905 577 HB3 ASP 77 2HB ASP 77 -9.431 2.172 13.524 578 H GLU 78 H GLU 78 -7.040 5.318 11.672 579 HA GLU 78 HA GLU 78 -5.589 5.735 13.838 580 HB2 GLU 78 1HB GLU 78 -7.315 7.630 12.229 581 HB3 GLU 78 2HB GLU 78 -6.395 8.242 13.589 582 HG2 GLU 78 1HG GLU 78 -4.541 6.630 12.218 583 HG3 GLU 78 2HG GLU 78 -5.454 7.389 10.928 584 H LYS 79 H LYS 79 -9.127 5.649 13.703 585 HA LYS 79 HA LYS 79 -9.902 7.045 15.874 586 HB2 LYS 79 1HB LYS 79 -11.242 5.594 14.208 587 HB3 LYS 79 2HB LYS 79 -10.971 4.275 15.329 588 HG2 LYS 79 1HG LYS 79 -12.126 6.952 16.221 589 HG3 LYS 79 2HG LYS 79 -13.140 5.643 15.648 590 HD2 LYS 79 1HD LYS 79 -13.014 4.583 17.649 591 HD3 LYS 79 2HD LYS 79 -11.262 4.592 17.600 592 HE2 LYS 79 1HE LYS 79 -11.145 6.297 19.101 593 HE3 LYS 79 2HE LYS 79 -12.257 7.280 18.170 594 HZ1 LYS 79 1HZ LYS 79 -12.804 5.504 20.368 595 HZ2 LYS 79 2HZ LYS 79 -13.531 6.907 19.956 596 HZ3 LYS 79 3HZ LYS 79 -13.925 5.525 19.180 597 H THR 80 H THR 80 -9.360 3.470 16.161 598 HA THR 80 HA THR 80 -8.117 4.027 18.775 599 HB THR 80 HB THR 80 -10.527 3.058 18.744 600 HG1 THR 80 1HG THR 80 -8.263 1.503 19.785 601 HG21 THR 80 1HG2 THR 80 -10.433 1.364 17.017 602 HG22 THR 80 2HG2 THR 80 -8.896 0.720 17.644 603 HG23 THR 80 3HG2 THR 80 -10.402 0.477 18.560 604 H LYS 81 H LYS 81 -7.116 3.558 15.859 605 HA LYS 81 HA LYS 81 -5.317 2.630 14.974 606 HB2 LYS 81 1HB LYS 81 -4.818 2.118 17.877 607 HB3 LYS 81 2HB LYS 81 -3.826 1.260 16.715 608 HG2 LYS 81 1HG LYS 81 -4.247 4.286 16.686 609 HG3 LYS 81 2HG LYS 81 -2.877 3.499 17.445 610 HD2 LYS 81 1HD LYS 81 -2.543 2.346 15.091 611 HD3 LYS 81 2HD LYS 81 -3.578 3.629 14.495 612 HE2 LYS 81 1HE LYS 81 -1.209 4.296 14.302 613 HE3 LYS 81 2HE LYS 81 -2.034 5.341 15.441 614 HZ1 LYS 81 1HZ LYS 81 0.213 4.077 15.982 615 HZ2 LYS 81 2HZ LYS 81 -0.855 4.522 17.133 616 HZ3 LYS 81 3HZ LYS 81 -0.846 2.986 16.578 617 H ASP 82 H ASP 82 -8.025 1.122 15.872 618 HA ASP 82 HA ASP 82 -7.521 -1.534 16.006 619 HB2 ASP 82 1HB ASP 82 -9.758 0.139 15.607 620 HB3 ASP 82 2HB ASP 82 -9.778 -0.921 14.213 621 H LEU 83 H LEU 83 -8.606 -2.942 13.871 622 HA LEU 83 HA LEU 83 -6.817 -2.228 11.654 623 HB2 LEU 83 1HB LEU 83 -6.393 -4.340 13.021 624 HB3 LEU 83 2HB LEU 83 -7.856 -4.981 12.300 625 HG LEU 83 HG LEU 83 -5.527 -5.530 11.266 626 HD11 LEU 83 1HD1 LEU 83 -7.988 -4.759 9.691 627 HD12 LEU 83 2HD1 LEU 83 -6.579 -5.564 8.961 628 HD13 LEU 83 3HD1 LEU 83 -7.493 -6.372 10.258 629 HD21 LEU 83 1HD2 LEU 83 -6.061 -2.876 9.906 630 HD22 LEU 83 2HD2 LEU 83 -4.796 -3.165 11.125 631 HD23 LEU 83 3HD2 LEU 83 -4.738 -4.017 9.563 632 H ILE 84 H ILE 84 -7.797 -1.520 9.842 633 HA ILE 84 HA ILE 84 -10.663 -1.900 9.630 634 HB ILE 84 HB ILE 84 -8.797 -0.312 7.870 635 HG12 ILE 84 1HG1 ILE 84 -10.419 0.716 10.212 636 HG13 ILE 84 2HG1 ILE 84 -8.711 0.335 10.308 637 HG21 ILE 84 1HG2 ILE 84 -11.247 -1.034 7.199 638 HG22 ILE 84 2HG2 ILE 84 -11.692 0.317 8.269 639 HG23 ILE 84 3HG2 ILE 84 -10.636 0.604 6.865 640 HD11 ILE 84 1HD1 ILE 84 -9.632 2.132 8.068 641 HD12 ILE 84 2HD1 ILE 84 -9.534 2.804 9.714 642 HD13 ILE 84 3HD1 ILE 84 -8.082 2.120 8.944 643 H VAL 85 H VAL 85 -7.628 -2.609 7.792 644 HA VAL 85 HA VAL 85 -9.005 -4.888 6.627 645 HB VAL 85 HB VAL 85 -7.738 -2.645 5.050 646 HG11 VAL 85 1HG1 VAL 85 -8.082 -4.035 3.044 647 HG12 VAL 85 2HG1 VAL 85 -6.925 -4.781 4.173 648 HG13 VAL 85 3HG1 VAL 85 -8.595 -5.392 4.075 649 HG21 VAL 85 1HG2 VAL 85 -10.508 -3.615 5.510 650 HG22 VAL 85 2HG2 VAL 85 -9.906 -1.979 5.148 651 HG23 VAL 85 3HG2 VAL 85 -10.097 -3.167 3.837 652 H ASP 86 H ASP 86 -7.465 -6.475 5.716 653 HA ASP 86 HA ASP 86 -4.770 -6.011 6.716 654 HB2 ASP 86 1HB ASP 86 -5.556 -7.540 8.316 655 HB3 ASP 86 2HB ASP 86 -6.650 -8.318 7.191 656 H GLN 87 H GLN 87 -3.759 -5.747 4.676 657 HA GLN 87 HA GLN 87 -4.446 -7.696 2.636 658 HB2 GLN 87 1HB GLN 87 -4.501 -5.171 2.177 659 HB3 GLN 87 2HB GLN 87 -2.753 -5.186 2.309 660 HG2 GLN 87 1HG GLN 87 -3.610 -5.406 -0.065 661 HG3 GLN 87 2HG GLN 87 -2.527 -6.694 0.424 662 HE21 GLN 87 1HE2 GLN 87 -3.346 -8.097 -1.103 663 HE22 GLN 87 2HE2 GLN 87 -4.887 -8.875 -0.957 664 H THR 88 H THR 88 -2.887 -9.089 1.718 665 HA THR 88 HA THR 88 -0.346 -9.173 3.199 666 HB THR 88 HB THR 88 -1.548 -11.201 3.587 667 HG1 THR 88 1HG THR 88 -0.354 -12.664 2.007 668 HG21 THR 88 1HG2 THR 88 -2.486 -10.777 0.756 669 HG22 THR 88 2HG2 THR 88 -2.239 -12.460 1.280 670 HG23 THR 88 3HG2 THR 88 -3.381 -11.413 2.157 671 H ILE 89 H ILE 89 1.603 -9.113 2.167 672 HA ILE 89 HA ILE 89 1.746 -7.846 -0.277 673 HB ILE 89 HB ILE 89 3.464 -8.297 1.672 674 HG12 ILE 89 1HG1 ILE 89 5.297 -7.632 0.057 675 HG13 ILE 89 2HG1 ILE 89 4.137 -7.824 -1.243 676 HG21 ILE 89 1HG2 ILE 89 5.133 -9.914 1.214 677 HG22 ILE 89 2HG2 ILE 89 3.569 -10.755 1.092 678 HG23 ILE 89 3HG2 ILE 89 4.444 -10.284 -0.385 679 HD11 ILE 89 1HD1 ILE 89 2.905 -5.960 -0.622 680 HD12 ILE 89 2HD1 ILE 89 3.278 -6.159 1.107 681 HD13 ILE 89 3HD1 ILE 89 4.495 -5.467 0.008 682 H GLU 90 H GLU 90 1.199 -11.226 0.513 683 HA GLU 90 HA GLU 90 2.171 -12.394 -1.773 684 HB2 GLU 90 1HB GLU 90 -0.240 -13.160 -0.068 685 HB3 GLU 90 2HB GLU 90 0.486 -14.209 -1.269 686 HG2 GLU 90 1HG GLU 90 1.801 -13.126 1.261 687 HG3 GLU 90 2HG GLU 90 1.413 -14.797 0.905 688 H LYS 91 H LYS 91 -1.333 -11.653 -1.097 689 HA LYS 91 HA LYS 91 -2.289 -12.076 -3.601 690 HB2 LYS 91 1HB LYS 91 -3.176 -9.973 -1.602 691 HB3 LYS 91 2HB LYS 91 -4.120 -10.527 -2.970 692 HG2 LYS 91 1HG LYS 91 -3.280 -12.100 -0.511 693 HG3 LYS 91 2HG LYS 91 -4.901 -11.820 -1.116 694 HD2 LYS 91 1HD LYS 91 -3.967 -13.107 -3.275 695 HD3 LYS 91 2HD LYS 91 -2.801 -13.741 -2.130 696 HE2 LYS 91 1HE LYS 91 -5.214 -14.006 -0.743 697 HE3 LYS 91 2HE LYS 91 -5.689 -14.340 -2.396 698 HZ1 LYS 91 1HZ LYS 91 -3.247 -15.602 -1.687 699 HZ2 LYS 91 2HZ LYS 91 -4.486 -16.076 -0.734 700 HZ3 LYS 91 3HZ LYS 91 -4.591 -16.244 -2.355 701 H VAL 92 H VAL 92 -1.138 -8.886 -2.288 702 HA VAL 92 HA VAL 92 -1.451 -7.334 -4.452 703 HB VAL 92 HB VAL 92 0.905 -7.479 -2.564 704 HG11 VAL 92 1HG1 VAL 92 0.172 -4.895 -3.830 705 HG12 VAL 92 2HG1 VAL 92 1.768 -5.553 -3.395 706 HG13 VAL 92 3HG1 VAL 92 0.959 -6.092 -4.887 707 HG21 VAL 92 1HG2 VAL 92 -1.700 -5.927 -2.505 708 HG22 VAL 92 2HG2 VAL 92 -1.138 -7.161 -1.352 709 HG23 VAL 92 3HG2 VAL 92 -0.316 -5.585 -1.440 710 H SER 93 H SER 93 -1.055 -7.700 -6.570 711 HA SER 93 HA SER 93 1.217 -9.376 -7.208 712 HB2 SER 93 1HB SER 93 -1.167 -8.417 -8.846 713 HB3 SER 93 2HB SER 93 0.164 -9.317 -9.546 714 HG SER 93 HG SER 93 -0.391 -11.139 -8.403 715 H PHE 94 H PHE 94 -0.277 -6.170 -7.993 716 HA PHE 94 HA PHE 94 2.399 -5.249 -8.729 717 HB2 PHE 94 1HB PHE 94 0.819 -5.847 -10.715 718 HB3 PHE 94 2HB PHE 94 -0.244 -4.574 -10.148 719 HD1 PHE 94 2HD PHE 94 3.013 -5.296 -11.680 720 HD2 PHE 94 1HD PHE 94 0.304 -2.254 -10.490 721 HE1 PHE 94 2HE PHE 94 4.310 -3.617 -13.021 722 HE2 PHE 94 1HE PHE 94 1.601 -0.575 -11.832 723 HZ PHE 94 HZ PHE 94 3.588 -1.276 -13.081 724 H CYS 95 H CYS 95 2.686 -2.898 -8.516 725 HA CYS 95 HA CYS 95 0.559 -1.435 -7.269 726 HB2 CYS 95 1HB CYS 95 1.900 -0.848 -5.243 727 HB3 CYS 95 2HB CYS 95 1.347 -2.511 -5.277 728 HG CYS 95 HG CYS 95 3.658 -3.301 -6.583 729 H ALA 96 H ALA 96 0.698 0.554 -8.249 730 HA ALA 96 HA ALA 96 3.372 1.618 -8.770 731 HB1 ALA 96 1HB ALA 96 2.838 0.724 -10.894 732 HB2 ALA 96 2HB ALA 96 1.124 1.186 -10.756 733 HB3 ALA 96 3HB ALA 96 2.366 2.437 -11.009 734 HA PRO 97 HA PRO 97 1.544 5.218 -7.222 735 HB2 PRO 97 1HB PRO 97 3.171 7.157 -8.252 736 HB3 PRO 97 2HB PRO 97 3.596 6.195 -6.851 737 HG2 PRO 97 1HG PRO 97 4.616 5.991 -9.618 738 HG3 PRO 97 2HG PRO 97 5.311 5.352 -8.141 739 HD2 PRO 97 1HD PRO 97 3.883 3.877 -10.144 740 HD3 PRO 97 2HD PRO 97 4.477 3.263 -8.615 741 H ASP 98 H ASP 98 1.215 7.769 -8.136 742 HA ASP 98 HA ASP 98 -0.287 7.288 -10.582 743 HB2 ASP 98 1HB ASP 98 -1.174 8.685 -8.030 744 HB3 ASP 98 2HB ASP 98 -1.937 9.052 -9.564 745 H ARG 99 H ARG 99 -0.669 9.384 -11.822 746 HA ARG 99 HA ARG 99 1.364 11.340 -11.099 747 HB2 ARG 99 1HB ARG 99 0.806 9.926 -13.620 748 HB3 ARG 99 2HB ARG 99 0.783 11.662 -13.855 749 HG2 ARG 99 1HG ARG 99 3.028 11.071 -12.157 750 HG3 ARG 99 2HG ARG 99 3.069 9.924 -13.481 751 HD2 ARG 99 1HD ARG 99 2.803 11.873 -15.098 752 HD3 ARG 99 2HD ARG 99 2.932 12.967 -13.735 753 HE ARG 99 HE ARG 99 5.238 12.595 -13.694 754 HH11 ARG 99 2HH2 ARG 99 3.696 9.978 -15.470 755 HH12 ARG 99 1HH2 ARG 99 5.192 9.261 -15.967 756 HH21 ARG 99 2HH1 ARG 99 7.213 11.650 -14.349 757 HH22 ARG 99 1HH1 ARG 99 7.207 10.219 -15.324 758 H ASN 100 H ASN 100 -1.847 10.758 -12.667 759 HA ASN 100 HA ASN 100 -2.616 13.219 -13.297 760 HB2 ASN 100 1HB ASN 100 -4.422 11.321 -11.718 761 HB3 ASN 100 2HB ASN 100 -4.925 12.483 -12.930 762 HD21 ASN 100 1HD2 ASN 100 -4.489 9.330 -12.389 763 HD22 ASN 100 2HD2 ASN 100 -4.124 8.734 -13.974 764 H PHE 101 H PHE 101 -2.697 11.673 -10.015 765 HA PHE 101 HA PHE 101 -3.519 14.213 -8.852 766 HB2 PHE 101 1HB PHE 101 -2.970 11.496 -7.532 767 HB3 PHE 101 2HB PHE 101 -3.961 12.789 -6.885 768 HD1 PHE 101 2HD PHE 101 -3.800 10.133 -9.430 769 HD2 PHE 101 1HD PHE 101 -6.249 13.036 -7.538 770 HE1 PHE 101 2HE PHE 101 -5.838 9.080 -10.451 771 HE2 PHE 101 1HE PHE 101 -8.286 11.984 -8.558 772 HZ PHE 101 HZ PHE 101 -8.056 10.018 -10.003 773 H ASP 102 H ASP 102 -2.362 13.765 -6.248 774 HA ASP 102 HA ASP 102 0.452 14.107 -6.933 775 HB2 ASP 102 1HB ASP 102 -1.187 16.048 -5.914 776 HB3 ASP 102 2HB ASP 102 -0.642 15.319 -4.417 777 H ARG 103 H ARG 103 -2.028 13.067 -4.516 778 HA ARG 103 HA ARG 103 -0.015 11.269 -3.435 779 HB2 ARG 103 1HB ARG 103 -1.403 11.565 -1.207 780 HB3 ARG 103 2HB ARG 103 -0.222 12.785 -1.641 781 HG2 ARG 103 1HG ARG 103 -2.105 14.088 -2.777 782 HG3 ARG 103 2HG ARG 103 -3.235 12.921 -2.119 783 HD2 ARG 103 1HD ARG 103 -1.977 13.517 0.186 784 HD3 ARG 103 2HD ARG 103 -1.591 14.997 -0.669 785 HE ARG 103 HE ARG 103 -4.200 14.224 0.344 786 HH11 ARG 103 2HH2 ARG 103 -2.605 16.040 -2.214 787 HH12 ARG 103 1HH2 ARG 103 -3.951 17.098 -2.477 788 HH21 ARG 103 2HH1 ARG 103 -5.976 15.619 -0.003 789 HH22 ARG 103 1HH1 ARG 103 -5.881 16.857 -1.210 790 H ALA 104 H ALA 104 -1.137 9.880 -5.172 791 HA ALA 104 HA ALA 104 -3.458 8.587 -3.941 792 HB1 ALA 104 1HB ALA 104 -4.808 8.963 -5.716 793 HB2 ALA 104 2HB ALA 104 -3.661 10.254 -6.148 794 HB3 ALA 104 3HB ALA 104 -3.505 8.640 -6.884 795 H PHE 105 H PHE 105 -2.375 6.759 -3.246 796 HA PHE 105 HA PHE 105 -0.813 5.362 -5.300 797 HB2 PHE 105 1HB PHE 105 0.626 5.785 -3.441 798 HB3 PHE 105 2HB PHE 105 -0.694 5.734 -2.290 799 HD1 PHE 105 1HD PHE 105 0.938 3.392 -4.710 800 HD2 PHE 105 2HD PHE 105 -0.673 3.965 -0.826 801 HE1 PHE 105 1HE PHE 105 1.557 1.035 -4.105 802 HE2 PHE 105 2HE PHE 105 -0.054 1.609 -0.221 803 HZ PHE 105 HZ PHE 105 1.054 0.173 -1.867 804 H SER 106 H SER 106 -1.788 3.597 -6.163 805 HA SER 106 HA SER 106 -3.572 2.127 -4.389 806 HB2 SER 106 1HB SER 106 -4.008 2.565 -7.376 807 HB3 SER 106 2HB SER 106 -5.072 1.688 -6.294 808 HG SER 106 HG SER 106 -4.455 4.338 -5.511 809 H TYR 107 H TYR 107 -3.604 -0.203 -4.726 810 HA TYR 107 HA TYR 107 -1.597 -1.204 -6.608 811 HB2 TYR 107 1HB TYR 107 -0.667 -2.569 -4.759 812 HB3 TYR 107 2HB TYR 107 -0.694 -0.902 -4.219 813 HD1 TYR 107 2HD TYR 107 -2.817 -3.994 -4.141 814 HD2 TYR 107 1HD TYR 107 -1.631 -0.401 -2.145 815 HE1 TYR 107 2HE TYR 107 -4.174 -4.671 -2.100 816 HE2 TYR 107 1HE TYR 107 -2.992 -1.090 -0.111 817 HH TYR 107 HH TYR 107 -5.266 -3.581 -0.225 818 H ILE 108 H ILE 108 -1.961 -3.375 -7.324 819 HA ILE 108 HA ILE 108 -4.730 -4.197 -6.922 820 HB ILE 108 HB ILE 108 -2.665 -4.957 -8.990 821 HG12 ILE 108 1HG1 ILE 108 -5.189 -3.297 -9.256 822 HG13 ILE 108 2HG1 ILE 108 -3.572 -2.636 -9.126 823 HG21 ILE 108 1HG2 ILE 108 -3.867 -6.795 -9.334 824 HG22 ILE 108 2HG2 ILE 108 -5.130 -6.271 -8.194 825 HG23 ILE 108 3HG2 ILE 108 -5.185 -5.736 -9.890 826 HD11 ILE 108 1HD1 ILE 108 -4.234 -2.780 -11.492 827 HD12 ILE 108 2HD1 ILE 108 -2.893 -3.906 -11.175 828 HD13 ILE 108 3HD1 ILE 108 -4.557 -4.522 -11.316 829 H CYS 109 H CYS 109 -5.294 -6.334 -6.276 830 HA CYS 109 HA CYS 109 -3.186 -8.134 -5.559 831 HB2 CYS 109 1HB CYS 109 -3.503 -8.211 -3.219 832 HB3 CYS 109 2HB CYS 109 -3.325 -6.512 -3.608 833 HG CYS 109 HG CYS 109 -5.158 -6.395 -1.928 834 H ARG 110 H ARG 110 -4.113 -10.284 -5.004 835 HA ARG 110 HA ARG 110 -6.623 -10.601 -6.329 836 HB2 ARG 110 1HB ARG 110 -4.708 -12.171 -6.726 837 HB3 ARG 110 2HB ARG 110 -4.758 -12.662 -5.044 838 HG2 ARG 110 1HG ARG 110 -6.234 -14.274 -5.661 839 HG3 ARG 110 2HG ARG 110 -7.415 -12.999 -5.887 840 HD2 ARG 110 1HD ARG 110 -7.328 -13.162 -8.168 841 HD3 ARG 110 2HD ARG 110 -5.577 -13.225 -8.187 842 HE ARG 110 HE ARG 110 -5.723 -15.544 -8.361 843 HH11 ARG 110 2HH2 ARG 110 -8.684 -14.349 -6.882 844 HH12 ARG 110 1HH2 ARG 110 -9.438 -15.908 -6.831 845 HH21 ARG 110 2HH1 ARG 110 -6.717 -17.600 -8.295 846 HH22 ARG 110 1HH1 ARG 110 -8.312 -17.769 -7.640 847 H ASP 111 H ASP 111 -8.333 -9.927 -4.992 848 HA ASP 111 HA ASP 111 -8.491 -9.915 -2.350 849 HB2 ASP 111 1HB ASP 111 -10.271 -9.567 -4.419 850 HB3 ASP 111 2HB ASP 111 -10.933 -11.013 -3.683 851 H GLY 112 H GLY 112 -8.070 -11.543 -0.850 852 HA2 GLY 112 1HA GLY 112 -8.404 -14.330 -1.625 853 HA3 GLY 112 2HA GLY 112 -7.628 -13.703 -0.184 854 H THR 113 H THR 113 -10.869 -12.697 -1.373 855 HA THR 113 HA THR 113 -12.029 -14.043 0.979 856 HB THR 113 HB THR 113 -11.891 -11.574 1.266 857 HG1 THR 113 1HG THR 113 -14.552 -12.458 0.413 858 HG21 THR 113 1HG2 THR 113 -13.822 -11.328 -1.074 859 HG22 THR 113 2HG2 THR 113 -12.928 -10.037 -0.236 860 HG23 THR 113 3HG2 THR 113 -12.069 -11.148 -1.329 861 H THR 114 H THR 114 -12.777 -12.705 -2.307 862 HA THR 114 HA THR 114 -14.967 -14.626 -2.487 863 HB THR 114 HB THR 114 -14.064 -12.178 -4.074 864 HG1 THR 114 1HG THR 114 -15.362 -12.246 -1.949 865 HG21 THR 114 1HG2 THR 114 -16.719 -13.327 -4.692 866 HG22 THR 114 2HG2 THR 114 -15.481 -12.695 -5.805 867 HG23 THR 114 3HG2 THR 114 -15.383 -14.376 -5.226 868 H ARG 115 H ARG 115 -13.224 -13.612 -5.368 869 HA ARG 115 HA ARG 115 -11.457 -15.708 -5.526 870 HB2 ARG 115 1HB ARG 115 -12.572 -17.315 -6.978 871 HB3 ARG 115 2HB ARG 115 -13.592 -17.086 -5.572 872 HG2 ARG 115 1HG ARG 115 -14.655 -15.147 -7.131 873 HG3 ARG 115 2HG ARG 115 -14.028 -16.171 -8.407 874 HD2 ARG 115 1HD ARG 115 -15.278 -17.954 -6.576 875 HD3 ARG 115 2HD ARG 115 -16.367 -16.587 -6.696 876 HE ARG 115 HE ARG 115 -15.838 -18.541 -8.764 877 HH11 ARG 115 2HH2 ARG 115 -16.602 -15.141 -8.277 878 HH12 ARG 115 1HH2 ARG 115 -17.350 -14.955 -9.828 879 HH21 ARG 115 2HH1 ARG 115 -16.824 -18.296 -10.811 880 HH22 ARG 115 1HH1 ARG 115 -17.477 -16.762 -11.279 881 H ARG 116 H ARG 116 -11.508 -12.935 -6.133 882 HA ARG 116 HA ARG 116 -10.922 -13.094 -8.946 883 HB2 ARG 116 1HB ARG 116 -12.140 -10.964 -9.425 884 HB3 ARG 116 2HB ARG 116 -13.237 -12.224 -8.896 885 HG2 ARG 116 1HG ARG 116 -13.641 -11.212 -6.829 886 HG3 ARG 116 2HG ARG 116 -12.063 -10.452 -6.766 887 HD2 ARG 116 1HD ARG 116 -14.191 -8.962 -7.231 888 HD3 ARG 116 2HD ARG 116 -12.717 -8.645 -8.124 889 HE ARG 116 HE ARG 116 -13.755 -9.406 -10.088 890 HH11 ARG 116 2HH2 ARG 116 -15.674 -10.364 -7.299 891 HH12 ARG 116 1HH2 ARG 116 -17.014 -10.913 -8.249 892 HH21 ARG 116 2HH1 ARG 116 -15.522 -10.131 -11.342 893 HH22 ARG 116 1HH1 ARG 116 -16.927 -10.780 -10.564 894 H TRP 117 H TRP 117 -10.270 -10.402 -9.426 895 HA TRP 117 HA TRP 117 -8.157 -9.979 -7.432 896 HB2 TRP 117 1HB TRP 117 -8.188 -8.865 -10.227 897 HB3 TRP 117 2HB TRP 117 -6.835 -9.027 -9.125 898 HD1 TRP 117 HD TRP 117 -9.245 -11.455 -11.029 899 HE1 TRP 117 1HE TRP 117 -7.952 -13.625 -11.791 900 HE3 TRP 117 3HE TRP 117 -4.815 -10.208 -8.867 901 HZ2 TRP 117 2HZ TRP 117 -5.280 -14.556 -11.413 902 HZ3 TRP 117 3HZ TRP 117 -2.914 -11.803 -9.111 903 HH2 TRP 117 HH TRP 117 -3.095 -13.913 -10.331 904 H ILE 118 H ILE 118 -8.027 -7.975 -6.389 905 HA ILE 118 HA ILE 118 -10.016 -5.982 -7.211 906 HB ILE 118 HB ILE 118 -9.427 -6.950 -4.413 907 HG12 ILE 118 1HG1 ILE 118 -11.054 -8.177 -6.083 908 HG13 ILE 118 2HG1 ILE 118 -11.477 -7.958 -4.397 909 HG21 ILE 118 1HG2 ILE 118 -10.929 -5.254 -3.599 910 HG22 ILE 118 2HG2 ILE 118 -9.629 -4.477 -4.535 911 HG23 ILE 118 3HG2 ILE 118 -11.246 -4.678 -5.252 912 HD11 ILE 118 1HD1 ILE 118 -12.306 -6.034 -6.617 913 HD12 ILE 118 2HD1 ILE 118 -13.334 -7.342 -5.986 914 HD13 ILE 118 3HD1 ILE 118 -12.849 -6.001 -4.922 915 H CYS 119 H CYS 119 -9.413 -3.768 -6.786 916 HA CYS 119 HA CYS 119 -6.523 -3.510 -6.380 917 HB2 CYS 119 1HB CYS 119 -7.041 -2.919 -8.646 918 HB3 CYS 119 2HB CYS 119 -8.394 -1.920 -8.155 919 HG CYS 119 HG CYS 119 -6.958 -0.234 -6.703 920 H HIS 120 H HIS 120 -5.829 -1.926 -4.869 921 HA HIS 120 HA HIS 120 -8.015 -0.626 -3.413 922 HB2 HIS 120 1HB HIS 120 -5.386 -1.711 -2.368 923 HB3 HIS 120 2HB HIS 120 -6.498 -0.739 -1.425 924 HD1 HIS 120 1HD HIS 120 -7.947 -2.121 0.051 925 HD2 HIS 120 2HD HIS 120 -6.971 -4.126 -3.502 926 HE1 HIS 120 1HE HIS 120 -9.052 -4.416 0.199 927 H CYS 121 H CYS 121 -7.808 1.576 -2.922 928 HA CYS 121 HA CYS 121 -5.420 2.835 -4.065 929 HB2 CYS 121 1HB CYS 121 -8.160 4.121 -4.018 930 HB3 CYS 121 2HB CYS 121 -6.728 4.657 -4.874 931 HG CYS 121 HG CYS 121 -8.623 3.622 -6.483 932 H PHE 122 H PHE 122 -4.624 4.702 -2.868 933 HA PHE 122 HA PHE 122 -5.942 5.235 -0.331 934 HB2 PHE 122 1HB PHE 122 -2.997 4.442 -0.750 935 HB3 PHE 122 2HB PHE 122 -3.667 4.960 0.784 936 HD1 PHE 122 2HD PHE 122 -4.032 2.327 -1.820 937 HD2 PHE 122 1HD PHE 122 -4.561 3.389 2.255 938 HE1 PHE 122 2HE PHE 122 -4.629 -0.050 -1.278 939 HE2 PHE 122 1HE PHE 122 -5.157 1.011 2.797 940 HZ PHE 122 HZ PHE 122 -5.184 -0.679 1.024 941 H MET 123 H MET 123 -6.094 7.412 -0.087 942 HA MET 123 HA MET 123 -4.364 9.031 -1.736 943 HB2 MET 123 1HB MET 123 -7.043 9.251 -0.461 944 HB3 MET 123 2HB MET 123 -6.105 10.723 -0.309 945 HG2 MET 123 1HG MET 123 -6.129 9.411 -3.016 946 HG3 MET 123 2HG MET 123 -7.619 10.174 -2.497 947 HE1 MET 123 1HE MET 123 -4.361 10.996 -4.432 948 HE2 MET 123 2HE MET 123 -6.063 10.818 -4.924 949 HE3 MET 123 3HE MET 123 -5.286 12.419 -4.967 950 H ALA 124 H ALA 124 -2.347 9.146 -0.713 951 HA ALA 124 HA ALA 124 -1.732 9.130 1.890 952 HB1 ALA 124 1HB ALA 124 0.303 9.636 1.068 953 HB2 ALA 124 2HB ALA 124 -0.476 9.818 -0.522 954 HB3 ALA 124 3HB ALA 124 -0.245 11.240 0.523 955 H VAL 125 H VAL 125 -1.221 10.848 3.493 956 HA VAL 125 HA VAL 125 -3.350 12.828 3.463 957 HB VAL 125 HB VAL 125 -1.488 11.732 5.566 958 HG11 VAL 125 1HG1 VAL 125 -1.705 13.577 6.798 959 HG12 VAL 125 2HG1 VAL 125 -2.645 14.351 5.499 960 HG13 VAL 125 3HG1 VAL 125 -3.475 13.398 6.753 961 HG21 VAL 125 1HG2 VAL 125 -4.267 11.675 6.263 962 HG22 VAL 125 2HG2 VAL 125 -4.078 11.009 4.624 963 HG23 VAL 125 3HG2 VAL 125 -3.156 10.313 5.979 964 H LYS 126 H LYS 126 0.152 12.803 4.452 965 HA LYS 126 HA LYS 126 0.412 15.354 3.032 966 HB2 LYS 126 1HB LYS 126 1.776 16.221 4.895 967 HB3 LYS 126 2HB LYS 126 0.112 15.928 5.357 968 HG2 LYS 126 1HG LYS 126 0.923 13.595 6.179 969 HG3 LYS 126 2HG LYS 126 2.550 14.225 6.010 970 HD2 LYS 126 1HD LYS 126 0.848 16.136 7.438 971 HD3 LYS 126 2HD LYS 126 0.806 14.569 8.221 972 HE2 LYS 126 1HE LYS 126 2.926 14.811 9.013 973 HE3 LYS 126 2HE LYS 126 3.544 15.225 7.426 974 HZ1 LYS 126 1HZ LYS 126 3.852 17.139 8.593 975 HZ2 LYS 126 2HZ LYS 126 2.401 17.459 7.915 976 HZ3 LYS 126 3HZ LYS 126 2.487 16.994 9.478 977 H ASP 127 H ASP 127 1.050 13.246 1.602 978 HA ASP 127 HA ASP 127 3.865 13.446 1.451 979 HB2 ASP 127 1HB ASP 127 2.856 10.607 1.723 980 HB3 ASP 127 2HB ASP 127 4.493 11.206 1.901 981 H THR 128 H THR 128 4.645 12.231 -0.580 982 HA THR 128 HA THR 128 2.576 12.337 -2.592 983 HB THR 128 HB THR 128 4.775 13.364 -3.014 984 HG1 THR 128 1HG THR 128 3.712 12.250 -4.796 985 HG21 THR 128 1HG2 THR 128 5.778 10.560 -2.350 986 HG22 THR 128 2HG2 THR 128 6.716 11.660 -3.389 987 HG23 THR 128 3HG2 THR 128 6.360 12.114 -1.706 988 H GLY 129 H GLY 129 2.218 10.615 -4.175 989 HA2 GLY 129 1HA GLY 129 1.886 8.091 -2.811 990 HA3 GLY 129 2HA GLY 129 1.334 8.528 -4.416 991 H GLU 130 H GLU 130 4.573 9.497 -4.162 992 HA GLU 130 HA GLU 130 5.357 7.313 -5.822 993 HB2 GLU 130 1HB GLU 130 6.015 9.936 -5.833 994 HB3 GLU 130 2HB GLU 130 7.345 9.346 -4.856 995 HG2 GLU 130 1HG GLU 130 8.385 8.729 -6.775 996 HG3 GLU 130 2HG GLU 130 7.172 7.477 -6.962 997 H ARG 131 H ARG 131 6.072 8.576 -2.527 998 HA ARG 131 HA ARG 131 8.075 6.640 -2.077 999 HB2 ARG 131 1HB ARG 131 7.996 7.488 0.277 1000 HB3 ARG 131 2HB ARG 131 8.094 8.800 -0.880 1001 HG2 ARG 131 1HG ARG 131 5.370 8.544 -0.696 1002 HG3 ARG 131 2HG ARG 131 5.829 8.009 0.909 1003 HD2 ARG 131 1HD ARG 131 7.253 10.460 -0.014 1004 HD3 ARG 131 2HD ARG 131 5.521 10.658 0.162 1005 HE ARG 131 HE ARG 131 6.280 9.330 2.490 1006 HH11 ARG 131 2HH2 ARG 131 7.247 12.324 0.913 1007 HH12 ARG 131 1HH2 ARG 131 7.669 13.117 2.394 1008 HH21 ARG 131 2HH1 ARG 131 6.837 10.376 4.444 1009 HH22 ARG 131 1HH1 ARG 131 7.435 12.002 4.416 1010 H LEU 132 H LEU 132 4.564 6.842 -1.734 1011 HA LEU 132 HA LEU 132 4.222 4.870 0.227 1012 HB2 LEU 132 1HB LEU 132 2.531 6.206 -1.828 1013 HB3 LEU 132 2HB LEU 132 1.931 4.720 -1.119 1014 HG LEU 132 HG LEU 132 2.489 5.916 1.161 1015 HD11 LEU 132 1HD1 LEU 132 3.595 7.846 -0.035 1016 HD12 LEU 132 2HD1 LEU 132 1.969 8.343 -0.564 1017 HD13 LEU 132 3HD1 LEU 132 2.361 8.282 1.171 1018 HD21 LEU 132 1HD2 LEU 132 0.181 6.945 1.110 1019 HD22 LEU 132 2HD2 LEU 132 0.096 6.467 -0.603 1020 HD23 LEU 132 3HD2 LEU 132 0.278 5.226 0.660 1021 H SER 133 H SER 133 4.871 4.768 -3.266 1022 HA SER 133 HA SER 133 4.141 2.045 -3.500 1023 HB2 SER 133 1HB SER 133 4.473 2.376 -5.736 1024 HB3 SER 133 2HB SER 133 4.503 4.070 -5.288 1025 HG SER 133 HG SER 133 6.787 2.324 -5.633 1026 H HIS 134 H HIS 134 6.931 3.827 -2.377 1027 HA HIS 134 HA HIS 134 8.872 1.864 -2.984 1028 HB2 HIS 134 1HB HIS 134 9.509 4.164 -2.661 1029 HB3 HIS 134 2HB HIS 134 8.827 4.189 -1.046 1030 HD1 HIS 134 1HD HIS 134 10.379 3.610 0.852 1031 HD2 HIS 134 2HD HIS 134 11.862 2.368 -2.870 1032 HE1 HIS 134 1HE HIS 134 12.746 2.755 1.274 1033 H ALA 135 H ALA 135 6.784 2.610 -0.144 1034 HA ALA 135 HA ALA 135 7.959 0.736 1.577 1035 HB1 ALA 135 1HB ALA 135 6.474 2.650 2.221 1036 HB2 ALA 135 2HB ALA 135 5.095 1.767 1.523 1037 HB3 ALA 135 3HB ALA 135 5.964 1.096 2.924 1038 H VAL 136 H VAL 136 4.870 0.550 -0.342 1039 HA VAL 136 HA VAL 136 4.393 -2.126 0.199 1040 HB VAL 136 HB VAL 136 2.763 -0.532 -0.685 1041 HG11 VAL 136 1HG1 VAL 136 3.496 -0.768 -3.503 1042 HG12 VAL 136 2HG1 VAL 136 3.040 0.668 -2.555 1043 HG13 VAL 136 3HG1 VAL 136 4.726 0.098 -2.552 1044 HG21 VAL 136 1HG2 VAL 136 1.703 -2.443 -1.165 1045 HG22 VAL 136 2HG2 VAL 136 2.273 -2.239 -2.839 1046 HG23 VAL 136 3HG2 VAL 136 3.210 -3.229 -1.694 1047 H GLY 137 H GLY 137 6.527 -0.522 -2.165 1048 HA2 GLY 137 1HA GLY 137 7.045 -2.972 -3.614 1049 HA3 GLY 137 2HA GLY 137 7.777 -1.399 -3.864 1050 H CYS 138 H CYS 138 8.014 -1.680 -0.600 1051 HA CYS 138 HA CYS 138 10.739 -2.605 -0.811 1052 HB2 CYS 138 1HB CYS 138 9.168 -0.998 1.141 1053 HB3 CYS 138 2HB CYS 138 10.462 -1.974 1.807 1054 HG CYS 138 HG CYS 138 10.961 0.698 1.109 1055 H ALA 139 H ALA 139 7.810 -3.243 1.267 1056 HA ALA 139 HA ALA 139 8.749 -5.462 2.569 1057 HB1 ALA 139 1HB ALA 139 6.120 -4.270 1.886 1058 HB2 ALA 139 2HB ALA 139 6.081 -6.005 2.280 1059 HB3 ALA 139 3HB ALA 139 6.746 -4.841 3.451 1060 H PHE 140 H PHE 140 7.255 -5.175 -0.697 1061 HA PHE 140 HA PHE 140 6.885 -7.832 -1.242 1062 HB2 PHE 140 1HB PHE 140 6.779 -5.345 -2.533 1063 HB3 PHE 140 2HB PHE 140 8.100 -6.116 -3.388 1064 HD1 PHE 140 2HD PHE 140 4.522 -6.442 -2.524 1065 HD2 PHE 140 1HD PHE 140 7.693 -7.826 -4.981 1066 HE1 PHE 140 2HE PHE 140 2.873 -7.679 -3.956 1067 HE2 PHE 140 1HE PHE 140 6.044 -9.063 -6.412 1068 HZ PHE 140 HZ PHE 140 3.654 -8.974 -5.883 1069 H ALA 141 H ALA 141 9.818 -5.833 -2.059 1070 HA ALA 141 HA ALA 141 11.334 -7.863 -3.110 1071 HB1 ALA 141 1HB ALA 141 12.068 -5.361 -1.549 1072 HB2 ALA 141 2HB ALA 141 13.274 -6.393 -2.354 1073 HB3 ALA 141 3HB ALA 141 12.018 -5.575 -3.315 1074 H ALA 142 H ALA 142 10.697 -6.986 0.307 1075 HA ALA 142 HA ALA 142 12.680 -8.658 1.402 1076 HB1 ALA 142 1HB ALA 142 10.056 -7.766 2.655 1077 HB2 ALA 142 2HB ALA 142 11.565 -8.206 3.492 1078 HB3 ALA 142 3HB ALA 142 11.491 -6.721 2.514 1079 H CYS 143 H CYS 143 9.065 -9.087 1.339 1080 HA CYS 143 HA CYS 143 9.003 -11.661 2.175 1081 HB2 CYS 143 1HB CYS 143 7.031 -10.167 1.774 1082 HB3 CYS 143 2HB CYS 143 7.176 -10.482 0.057 1083 HG CYS 143 HG CYS 143 6.117 -12.605 -0.031 1084 H LEU 144 H LEU 144 9.351 -10.398 -1.213 1085 HA LEU 144 HA LEU 144 9.452 -12.869 -2.472 1086 HB2 LEU 144 1HB LEU 144 10.371 -10.100 -3.123 1087 HB3 LEU 144 2HB LEU 144 10.877 -11.426 -4.151 1088 HG LEU 144 HG LEU 144 8.064 -10.470 -3.604 1089 HD11 LEU 144 1HD1 LEU 144 9.386 -9.256 -5.304 1090 HD12 LEU 144 2HD1 LEU 144 9.599 -10.780 -6.198 1091 HD13 LEU 144 3HD1 LEU 144 7.972 -10.091 -5.991 1092 HD21 LEU 144 1HD2 LEU 144 7.616 -12.403 -5.387 1093 HD22 LEU 144 2HD2 LEU 144 9.003 -13.133 -4.545 1094 HD23 LEU 144 3HD2 LEU 144 7.545 -12.680 -3.631 1095 H GLU 145 H GLU 145 12.118 -10.776 -1.184 1096 HA GLU 145 HA GLU 145 14.266 -12.091 -1.945 1097 HB2 GLU 145 1HB GLU 145 13.580 -10.366 0.226 1098 HB3 GLU 145 2HB GLU 145 14.543 -11.659 0.912 1099 HG2 GLU 145 1HG GLU 145 15.898 -11.045 -1.470 1100 HG3 GLU 145 2HG GLU 145 15.358 -9.478 -0.903 1101 H ARG 146 H ARG 146 12.479 -12.989 1.102 1102 HA ARG 146 HA ARG 146 13.810 -15.091 1.895 1103 HB2 ARG 146 1HB ARG 146 10.872 -14.483 1.776 1104 HB3 ARG 146 2HB ARG 146 11.289 -16.136 2.182 1105 HG2 ARG 146 1HG ARG 146 11.416 -15.291 4.317 1106 HG3 ARG 146 2HG ARG 146 13.039 -14.853 3.823 1107 HD2 ARG 146 1HD ARG 146 12.133 -12.598 3.062 1108 HD3 ARG 146 2HD ARG 146 10.576 -13.046 3.729 1109 HE ARG 146 HE ARG 146 12.914 -12.194 5.229 1110 HH11 ARG 146 2HH2 ARG 146 10.033 -14.206 5.409 1111 HH12 ARG 146 1HH2 ARG 146 9.932 -14.131 7.136 1112 HH21 ARG 146 2HH1 ARG 146 12.782 -12.094 7.508 1113 HH22 ARG 146 1HH1 ARG 146 11.506 -12.921 8.338 1114 H LYS 147 H LYS 147 11.515 -15.055 -0.896 1115 HA LYS 147 HA LYS 147 12.005 -17.849 -1.426 1116 HB2 LYS 147 1HB LYS 147 10.467 -15.925 -3.170 1117 HB3 LYS 147 2HB LYS 147 10.307 -17.666 -3.060 1118 HG2 LYS 147 1HG LYS 147 8.606 -17.264 -1.600 1119 HG3 LYS 147 2HG LYS 147 9.855 -16.893 -0.429 1120 HD2 LYS 147 1HD LYS 147 8.566 -14.942 -0.331 1121 HD3 LYS 147 2HD LYS 147 9.787 -14.472 -1.496 1122 HE2 LYS 147 1HE LYS 147 8.306 -14.497 -3.281 1123 HE3 LYS 147 2HE LYS 147 7.377 -15.836 -2.636 1124 HZ1 LYS 147 1HZ LYS 147 6.501 -14.284 -0.972 1125 HZ2 LYS 147 2HZ LYS 147 7.283 -13.052 -1.705 1126 HZ3 LYS 147 3HZ LYS 147 6.105 -13.858 -2.498 1127 H GLN 148 H GLN 148 12.484 -14.705 -3.190 1128 HA GLN 148 HA GLN 148 13.955 -15.792 -5.232 1129 HB2 GLN 148 1HB GLN 148 14.087 -13.001 -4.010 1130 HB3 GLN 148 2HB GLN 148 14.811 -13.434 -5.546 1131 HG2 GLN 148 1HG GLN 148 12.047 -14.351 -5.485 1132 HG3 GLN 148 2HG GLN 148 12.107 -12.654 -5.052 1133 HE21 GLN 148 1HE2 GLN 148 12.529 -11.144 -6.541 1134 HE22 GLN 148 2HE2 GLN 148 12.848 -11.442 -8.218 1135 H LYS 149 H LYS 149 16.422 -14.547 -5.461 1136 HA LYS 149 HA LYS 149 18.552 -14.780 -4.934 1137 HB2 LYS 149 1HB LYS 149 17.282 -13.847 -2.556 1138 HB3 LYS 149 2HB LYS 149 18.510 -15.001 -2.077 1139 HG2 LYS 149 1HG LYS 149 19.944 -13.648 -3.942 1140 HG3 LYS 149 2HG LYS 149 18.823 -12.373 -3.505 1141 HD2 LYS 149 1HD LYS 149 19.470 -12.497 -1.156 1142 HD3 LYS 149 2HD LYS 149 20.399 -13.958 -1.428 1143 HE2 LYS 149 1HE LYS 149 21.614 -12.311 -3.244 1144 HE3 LYS 149 2HE LYS 149 21.098 -11.115 -2.072 1145 HZ1 LYS 149 1HZ LYS 149 22.546 -13.547 -1.302 1146 HZ2 LYS 149 2HZ LYS 149 23.301 -12.145 -1.665 1147 HZ3 LYS 149 3HZ LYS 149 22.280 -12.217 -0.393 1148 H ARG 150 H ARG 150 20.225 -16.318 -3.953 1149 HA ARG 150 HA ARG 150 19.018 -18.877 -3.352 1150 HB2 ARG 150 1HB ARG 150 20.556 -20.026 -4.950 1151 HB3 ARG 150 2HB ARG 150 19.476 -18.926 -5.784 1152 HG2 ARG 150 1HG ARG 150 22.191 -17.936 -4.870 1153 HG3 ARG 150 2HG ARG 150 22.075 -18.904 -6.326 1154 HD2 ARG 150 1HD ARG 150 20.125 -17.197 -6.958 1155 HD3 ARG 150 2HD ARG 150 20.905 -16.165 -5.777 1156 HE ARG 150 HE ARG 150 22.864 -17.271 -7.596 1157 HH11 ARG 150 2HH2 ARG 150 20.353 -14.816 -7.371 1158 HH12 ARG 150 1HH2 ARG 150 21.067 -13.793 -8.572 1159 HH21 ARG 150 2HH1 ARG 150 23.807 -15.921 -9.181 1160 HH22 ARG 150 1HH1 ARG 150 23.045 -14.426 -9.609 1161 H SER 151 H SER 151 20.425 -20.290 -2.092 1162 HA SER 151 HA SER 151 22.947 -19.071 -1.324 1163 HB2 SER 151 1HB SER 151 20.778 -18.866 0.317 1164 HB3 SER 151 2HB SER 151 21.386 -20.423 0.843 1165 HG SER 151 HG SER 151 23.208 -19.511 1.644 1166 H GLY 152 H GLY 152 20.749 -21.944 -1.238 1167 HA2 GLY 152 1HA GLY 152 23.144 -23.680 -1.205 1168 HA3 GLY 152 2HA GLY 152 21.577 -24.107 -0.547 1169 HA PRO 153 HA PRO 153 20.512 -25.728 -4.426 1170 HB2 PRO 153 1HB PRO 153 17.782 -25.729 -4.299 1171 HB3 PRO 153 2HB PRO 153 18.777 -26.948 -3.529 1172 HG2 PRO 153 1HG PRO 153 17.326 -24.688 -2.293 1173 HG3 PRO 153 2HG PRO 153 17.959 -26.135 -1.532 1174 HD2 PRO 153 1HD PRO 153 19.105 -23.507 -1.442 1175 HD3 PRO 153 2HD PRO 153 19.796 -24.975 -0.780 1176 H SER 154 H SER 154 18.750 -25.397 -6.338 1177 HA SER 154 HA SER 154 18.555 -22.543 -6.733 1178 HB2 SER 154 1HB SER 154 19.440 -22.910 -9.136 1179 HB3 SER 154 2HB SER 154 20.621 -22.864 -7.842 1180 HG SER 154 HG SER 154 21.248 -24.784 -8.532 1181 H SER 155 H SER 155 18.107 -25.793 -8.318 1182 HA SER 155 HA SER 155 15.322 -25.444 -8.385 1183 HB2 SER 155 1HB SER 155 15.969 -23.929 -10.277 1184 HB3 SER 155 2HB SER 155 16.767 -25.274 -11.067 1185 HG SER 155 HG SER 155 14.850 -25.613 -11.964 1186 H GLY 156 H GLY 156 18.051 -26.977 -10.252 1187 HA2 GLY 156 1HA GLY 156 17.386 -29.580 -9.219 1188 HA3 GLY 156 2HA GLY 156 16.948 -29.373 -10.903 Start of MODEL 20 1 H1 GLY 1 H GLY 1 20.310 -7.262 26.596 2 HA2 GLY 1 1HA GLY 1 18.572 -7.975 25.015 3 HA3 GLY 1 2HA GLY 1 17.585 -8.402 26.399 4 H SER 2 H SER 2 15.954 -6.896 25.494 5 HA SER 2 HA SER 2 16.147 -4.403 26.756 6 HB2 SER 2 1HB SER 2 15.976 -2.961 24.723 7 HB3 SER 2 2HB SER 2 17.525 -3.772 24.844 8 HG SER 2 HG SER 2 15.363 -4.250 23.033 9 H SER 3 H SER 3 14.075 -3.078 26.318 10 HA SER 3 HA SER 3 12.003 -4.447 24.945 11 HB2 SER 3 1HB SER 3 11.816 -4.194 27.981 12 HB3 SER 3 2HB SER 3 10.521 -4.730 26.929 13 HG SER 3 HG SER 3 12.865 -6.093 27.759 14 H GLY 4 H GLY 4 10.230 -3.023 24.509 15 HA2 GLY 4 1HA GLY 4 8.969 -1.074 25.055 16 HA3 GLY 4 2HA GLY 4 10.410 -0.343 25.732 17 H SER 5 H SER 5 8.401 0.170 23.307 18 HA SER 5 HA SER 5 10.286 1.526 21.772 19 HB2 SER 5 1HB SER 5 9.514 -1.210 20.855 20 HB3 SER 5 2HB SER 5 9.458 0.039 19.627 21 HG SER 5 HG SER 5 11.678 0.565 20.103 22 H SER 6 H SER 6 9.039 3.340 21.480 23 HA SER 6 HA SER 6 6.574 3.030 20.074 24 HB2 SER 6 1HB SER 6 5.339 4.479 21.806 25 HB3 SER 6 2HB SER 6 5.594 2.796 22.226 26 HG SER 6 HG SER 6 6.361 4.968 23.613 27 H GLY 7 H GLY 7 5.738 5.194 19.321 28 HA2 GLY 7 1HA GLY 7 6.390 7.656 19.606 29 HA3 GLY 7 2HA GLY 7 7.972 7.102 19.095 30 H ALA 8 H ALA 8 5.651 8.844 17.865 31 HA ALA 8 HA ALA 8 5.511 7.388 15.315 32 HB1 ALA 8 1HB ALA 8 3.715 9.696 16.053 33 HB2 ALA 8 2HB ALA 8 3.407 8.327 14.958 34 HB3 ALA 8 3HB ALA 8 3.390 8.078 16.720 35 H SER 9 H SER 9 7.882 8.283 15.291 36 HA SER 9 HA SER 9 7.910 10.351 13.457 37 HB2 SER 9 1HB SER 9 7.649 11.385 16.021 38 HB3 SER 9 2HB SER 9 9.387 11.418 15.797 39 HG SER 9 HG SER 9 9.096 12.653 13.857 40 H ARG 10 H ARG 10 9.633 9.734 12.207 41 HA ARG 10 HA ARG 10 12.046 8.973 13.597 42 HB2 ARG 10 1HB ARG 10 10.484 7.245 11.650 43 HB3 ARG 10 2HB ARG 10 12.229 7.092 11.718 44 HG2 ARG 10 1HG ARG 10 10.512 6.948 14.230 45 HG3 ARG 10 2HG ARG 10 10.833 5.529 13.253 46 HD2 ARG 10 1HD ARG 10 13.204 5.646 13.660 47 HD3 ARG 10 2HD ARG 10 13.106 7.290 14.256 48 HE ARG 10 HE ARG 10 11.479 5.921 16.015 49 HH11 ARG 10 2HH2 ARG 10 14.777 5.417 14.895 50 HH12 ARG 10 1HH2 ARG 10 15.295 4.660 16.364 51 HH21 ARG 10 2HH1 ARG 10 12.162 4.922 17.953 52 HH22 ARG 10 1HH1 ARG 10 13.798 4.376 18.115 53 HA PRO 11 HA PRO 11 13.867 11.120 10.267 54 HB2 PRO 11 1HB PRO 11 16.329 9.957 10.028 55 HB3 PRO 11 2HB PRO 11 15.941 11.134 11.267 56 HG2 PRO 11 1HG PRO 11 16.255 8.206 11.525 57 HG3 PRO 11 2HG PRO 11 16.293 9.429 12.780 58 HD2 PRO 11 1HD PRO 11 14.126 7.646 12.185 59 HD3 PRO 11 2HD PRO 11 14.122 8.945 13.361 60 H HIS 12 H HIS 12 15.345 10.774 8.133 61 HA HIS 12 HA HIS 12 15.336 10.000 6.081 62 HB2 HIS 12 1HB HIS 12 14.932 7.564 7.692 63 HB3 HIS 12 2HB HIS 12 14.399 7.416 6.029 64 HD1 HIS 12 1HD HIS 12 16.608 9.127 4.627 65 HD2 HIS 12 2HD HIS 12 17.339 6.240 7.581 66 HE1 HIS 12 1HE HIS 12 19.028 8.381 4.314 67 H GLN 13 H GLN 13 13.678 8.590 4.444 68 HA GLN 13 HA GLN 13 10.985 9.390 5.127 69 HB2 GLN 13 1HB GLN 13 12.476 10.329 2.641 70 HB3 GLN 13 2HB GLN 13 10.732 10.405 2.796 71 HG2 GLN 13 1HG GLN 13 12.466 11.604 4.972 72 HG3 GLN 13 2HG GLN 13 12.226 12.493 3.480 73 HE21 GLN 13 1HE2 GLN 13 10.823 14.032 3.851 74 HE22 GLN 13 2HE2 GLN 13 9.286 13.882 4.637 75 H TRP 14 H TRP 14 13.118 7.986 2.537 76 HA TRP 14 HA TRP 14 10.990 6.108 1.883 77 HB2 TRP 14 1HB TRP 14 13.652 6.642 0.553 78 HB3 TRP 14 2HB TRP 14 12.438 5.513 -0.014 79 HD1 TRP 14 HD TRP 14 12.312 9.322 0.925 80 HE1 TRP 14 1HE TRP 14 10.958 10.668 -0.896 81 HE3 TRP 14 3HE TRP 14 11.242 5.306 -2.003 82 HZ2 TRP 14 2HZ TRP 14 9.621 9.919 -3.304 83 HZ3 TRP 14 3HZ TRP 14 9.907 5.700 -4.072 84 HH2 TRP 14 HH TRP 14 9.104 7.910 -4.738 85 H GLN 15 H GLN 15 14.560 6.097 2.617 86 HA GLN 15 HA GLN 15 14.880 3.446 2.930 87 HB2 GLN 15 1HB GLN 15 16.837 4.743 3.043 88 HB3 GLN 15 2HB GLN 15 16.171 5.844 4.232 89 HG2 GLN 15 1HG GLN 15 16.736 4.491 6.009 90 HG3 GLN 15 2HG GLN 15 16.344 3.015 5.148 91 HE21 GLN 15 1HE2 GLN 15 18.578 3.255 6.736 92 HE22 GLN 15 2HE2 GLN 15 20.019 3.182 5.777 93 H THR 16 H THR 16 13.561 5.803 5.311 94 HA THR 16 HA THR 16 13.486 4.118 7.524 95 HB THR 16 HB THR 16 13.149 6.564 7.620 96 HG1 THR 16 1HG THR 16 12.085 5.266 9.249 97 HG21 THR 16 1HG2 THR 16 10.312 6.387 6.713 98 HG22 THR 16 2HG2 THR 16 11.492 7.699 6.480 99 HG23 THR 16 3HG2 THR 16 11.512 6.282 5.402 100 H ASP 17 H ASP 17 11.766 3.902 4.535 101 HA ASP 17 HA ASP 17 9.591 2.476 5.756 102 HB2 ASP 17 1HB ASP 17 10.280 2.962 2.818 103 HB3 ASP 17 2HB ASP 17 8.784 2.251 3.392 104 H GLU 18 H GLU 18 12.775 1.930 4.502 105 HA GLU 18 HA GLU 18 12.231 -0.722 3.572 106 HB2 GLU 18 1HB GLU 18 14.848 0.803 3.934 107 HB3 GLU 18 2HB GLU 18 14.723 -0.785 3.203 108 HG2 GLU 18 1HG GLU 18 12.807 0.613 1.774 109 HG3 GLU 18 2HG GLU 18 13.981 1.876 2.090 110 H GLU 19 H GLU 19 13.114 0.900 6.546 111 HA GLU 19 HA GLU 19 14.135 -1.562 7.666 112 HB2 GLU 19 1HB GLU 19 15.005 -0.258 9.430 113 HB3 GLU 19 2HB GLU 19 15.175 0.789 8.035 114 HG2 GLU 19 1HG GLU 19 12.991 1.899 8.637 115 HG3 GLU 19 2HG GLU 19 12.893 0.889 10.066 116 H GLY 20 H GLY 20 11.459 0.833 8.081 117 HA2 GLY 20 1HA GLY 20 10.215 -0.316 10.290 118 HA3 GLY 20 2HA GLY 20 9.444 0.661 9.057 119 H VAL 21 H VAL 21 10.637 -1.579 7.084 120 HA VAL 21 HA VAL 21 8.206 -3.156 7.198 121 HB VAL 21 HB VAL 21 8.826 -2.168 5.096 122 HG11 VAL 21 1HG1 VAL 21 11.483 -3.502 5.598 123 HG12 VAL 21 2HG1 VAL 21 10.953 -3.114 3.944 124 HG13 VAL 21 3HG1 VAL 21 11.134 -1.816 5.149 125 HG21 VAL 21 1HG2 VAL 21 8.221 -3.960 3.858 126 HG22 VAL 21 2HG2 VAL 21 9.566 -4.961 4.455 127 HG23 VAL 21 3HG2 VAL 21 8.094 -4.769 5.438 128 H ARG 22 H ARG 22 11.651 -3.348 7.935 129 HA ARG 22 HA ARG 22 11.385 -6.221 8.210 130 HB2 ARG 22 1HB ARG 22 13.967 -5.985 8.642 131 HB3 ARG 22 2HB ARG 22 13.374 -5.770 7.007 132 HG2 ARG 22 1HG ARG 22 13.427 -3.333 7.231 133 HG3 ARG 22 2HG ARG 22 13.782 -3.447 8.944 134 HD2 ARG 22 1HD ARG 22 15.846 -4.953 7.910 135 HD3 ARG 22 2HD ARG 22 15.602 -3.812 6.602 136 HE ARG 22 HE ARG 22 15.665 -2.511 9.218 137 HH11 ARG 22 2HH2 ARG 22 17.656 -3.746 6.591 138 HH12 ARG 22 1HH2 ARG 22 19.003 -2.722 6.960 139 HH21 ARG 22 2HH1 ARG 22 17.443 -1.160 9.705 140 HH22 ARG 22 1HH1 ARG 22 18.881 -1.241 8.743 141 H THR 23 H THR 23 11.173 -3.310 9.982 142 HA THR 23 HA THR 23 11.985 -4.643 12.478 143 HB THR 23 HB THR 23 12.345 -2.368 13.325 144 HG1 THR 23 1HG THR 23 10.788 -1.085 12.351 145 HG21 THR 23 1HG2 THR 23 14.330 -2.271 12.199 146 HG22 THR 23 2HG2 THR 23 13.671 -3.306 10.909 147 HG23 THR 23 3HG2 THR 23 13.472 -1.539 10.822 148 H GLY 24 H GLY 24 9.533 -2.242 11.286 149 HA2 GLY 24 1HA GLY 24 7.202 -3.185 11.549 150 HA3 GLY 24 2HA GLY 24 7.650 -3.437 13.224 151 H LYS 25 H LYS 25 7.597 -0.842 10.683 152 HA LYS 25 HA LYS 25 6.035 0.900 12.119 153 HB2 LYS 25 1HB LYS 25 7.761 2.576 12.870 154 HB3 LYS 25 2HB LYS 25 7.649 1.117 13.835 155 HG2 LYS 25 1HG LYS 25 9.912 0.988 13.550 156 HG3 LYS 25 2HG LYS 25 9.527 0.346 11.966 157 HD2 LYS 25 1HD LYS 25 9.771 2.517 10.918 158 HD3 LYS 25 2HD LYS 25 9.802 3.339 12.465 159 HE2 LYS 25 1HE LYS 25 11.907 1.258 11.761 160 HE3 LYS 25 2HE LYS 25 12.077 2.922 11.239 161 HZ1 LYS 25 1HZ LYS 25 11.698 3.494 13.643 162 HZ2 LYS 25 2HZ LYS 25 11.941 1.915 13.982 163 HZ3 LYS 25 3HZ LYS 25 13.128 2.792 13.284 164 H CYS 26 H CYS 26 6.387 -0.112 9.467 165 HA CYS 26 HA CYS 26 7.448 2.204 8.048 166 HB2 CYS 26 1HB CYS 26 8.362 0.097 7.293 167 HB3 CYS 26 2HB CYS 26 6.764 -0.595 7.099 168 HG CYS 26 HG CYS 26 6.949 2.256 5.700 169 H SER 27 H SER 27 5.165 2.840 9.426 170 HA SER 27 HA SER 27 3.072 2.589 7.409 171 HB2 SER 27 1HB SER 27 1.431 2.799 9.177 172 HB3 SER 27 2HB SER 27 2.572 1.556 9.651 173 HG SER 27 HG SER 27 3.537 2.945 11.135 174 H PHE 28 H PHE 28 1.751 4.532 6.997 175 HA PHE 28 HA PHE 28 2.827 7.006 8.084 176 HB2 PHE 28 1HB PHE 28 2.477 7.636 5.415 177 HB3 PHE 28 2HB PHE 28 4.027 7.166 6.082 178 HD1 PHE 28 2HD PHE 28 4.569 4.623 6.058 179 HD2 PHE 28 1HD PHE 28 1.560 6.414 3.662 180 HE1 PHE 28 2HE PHE 28 4.651 2.663 4.491 181 HE2 PHE 28 1HE PHE 28 1.641 4.455 2.095 182 HZ PHE 28 HZ PHE 28 3.186 2.603 2.529 183 HA PRO 29 HA PRO 29 -1.306 8.266 7.790 184 HB2 PRO 29 1HB PRO 29 -1.143 10.956 7.337 185 HB3 PRO 29 2HB PRO 29 -0.904 10.234 8.916 186 HG2 PRO 29 1HG PRO 29 1.114 11.328 7.053 187 HG3 PRO 29 2HG PRO 29 1.266 11.002 8.768 188 HD2 PRO 29 1HD PRO 29 2.316 9.417 6.620 189 HD3 PRO 29 2HD PRO 29 2.367 9.032 8.329 190 H VAL 30 H VAL 30 -2.711 7.546 6.329 191 HA VAL 30 HA VAL 30 -2.637 8.952 3.779 192 HB VAL 30 HB VAL 30 -2.522 7.025 2.471 193 HG11 VAL 30 1HG1 VAL 30 -0.435 5.851 3.237 194 HG12 VAL 30 2HG1 VAL 30 -0.328 7.627 3.241 195 HG13 VAL 30 3HG1 VAL 30 -0.561 6.746 4.770 196 HG21 VAL 30 1HG2 VAL 30 -2.792 5.339 4.984 197 HG22 VAL 30 2HG2 VAL 30 -4.075 5.635 3.786 198 HG23 VAL 30 3HG2 VAL 30 -2.614 4.731 3.320 199 H LYS 31 H LYS 31 -4.684 8.316 2.462 200 HA LYS 31 HA LYS 31 -6.877 8.024 4.394 201 HB2 LYS 31 1HB LYS 31 -6.553 9.730 1.935 202 HB3 LYS 31 2HB LYS 31 -8.151 9.255 2.473 203 HG2 LYS 31 1HG LYS 31 -8.063 11.015 3.908 204 HG3 LYS 31 2HG LYS 31 -6.925 10.074 4.851 205 HD2 LYS 31 1HD LYS 31 -5.595 11.931 4.501 206 HD3 LYS 31 2HD LYS 31 -5.176 11.052 3.044 207 HE2 LYS 31 1HE LYS 31 -7.054 13.410 3.353 208 HE3 LYS 31 2HE LYS 31 -5.716 13.216 2.238 209 HZ1 LYS 31 1HZ LYS 31 -7.025 11.455 1.160 210 HZ2 LYS 31 2HZ LYS 31 -8.290 11.808 2.131 211 HZ3 LYS 31 3HZ LYS 31 -7.736 12.923 1.074 212 H TYR 32 H TYR 32 -8.614 6.628 3.890 213 HA TYR 32 HA TYR 32 -7.895 4.624 1.887 214 HB2 TYR 32 1HB TYR 32 -8.411 4.107 4.355 215 HB3 TYR 32 2HB TYR 32 -10.015 4.773 4.121 216 HD1 TYR 32 2HD TYR 32 -8.355 2.726 1.532 217 HD2 TYR 32 1HD TYR 32 -11.169 2.743 4.754 218 HE1 TYR 32 2HE TYR 32 -9.204 0.440 0.812 219 HE2 TYR 32 1HE TYR 32 -12.009 0.457 4.023 220 HH TYR 32 HH TYR 32 -11.981 -1.038 2.416 221 H LEU 33 H LEU 33 -8.698 5.077 -0.119 222 HA LEU 33 HA LEU 33 -11.079 6.602 -0.436 223 HB2 LEU 33 1HB LEU 33 -9.463 5.015 -2.436 224 HB3 LEU 33 2HB LEU 33 -10.732 6.160 -2.823 225 HG LEU 33 HG LEU 33 -8.286 6.991 -1.261 226 HD11 LEU 33 1HD1 LEU 33 -7.177 7.635 -3.293 227 HD12 LEU 33 2HD1 LEU 33 -7.582 5.905 -3.388 228 HD13 LEU 33 3HD1 LEU 33 -8.560 7.098 -4.276 229 HD21 LEU 33 1HD2 LEU 33 -9.552 8.831 -1.099 230 HD22 LEU 33 2HD2 LEU 33 -9.080 9.113 -2.792 231 HD23 LEU 33 3HD2 LEU 33 -10.634 8.328 -2.420 232 H GLY 34 H GLY 34 -10.173 3.119 -0.811 233 HA2 GLY 34 1HA GLY 34 -12.271 1.876 0.199 234 HA3 GLY 34 2HA GLY 34 -12.970 2.438 -1.307 235 H HIS 35 H HIS 35 -13.204 0.384 -2.282 236 HA HIS 35 HA HIS 35 -10.709 -0.692 -3.278 237 HB2 HIS 35 1HB HIS 35 -11.710 -3.047 -2.750 238 HB3 HIS 35 2HB HIS 35 -10.783 -2.181 -1.542 239 HD1 HIS 35 1HD HIS 35 -11.840 -2.687 0.663 240 HD2 HIS 35 2HD HIS 35 -14.694 -1.904 -2.310 241 HE1 HIS 35 1HE HIS 35 -14.113 -2.741 1.822 242 H VAL 36 H VAL 36 -10.909 -0.965 -5.444 243 HA VAL 36 HA VAL 36 -13.641 -1.340 -6.465 244 HB VAL 36 HB VAL 36 -13.130 0.009 -8.306 245 HG11 VAL 36 1HG1 VAL 36 -12.863 1.014 -5.681 246 HG12 VAL 36 2HG1 VAL 36 -11.619 1.834 -6.654 247 HG13 VAL 36 3HG1 VAL 36 -13.327 1.906 -7.149 248 HG21 VAL 36 1HG2 VAL 36 -10.221 0.116 -7.445 249 HG22 VAL 36 2HG2 VAL 36 -10.860 -0.953 -8.717 250 HG23 VAL 36 3HG2 VAL 36 -10.937 0.814 -8.917 251 H GLU 37 H GLU 37 -13.416 -2.271 -8.889 252 HA GLU 37 HA GLU 37 -11.855 -4.677 -8.511 253 HB2 GLU 37 1HB GLU 37 -14.442 -4.351 -9.305 254 HB3 GLU 37 2HB GLU 37 -13.665 -4.379 -10.875 255 HG2 GLU 37 1HG GLU 37 -12.398 -6.504 -9.911 256 HG3 GLU 37 2HG GLU 37 -13.712 -6.539 -8.751 257 H VAL 38 H VAL 38 -9.898 -4.904 -9.500 258 HA VAL 38 HA VAL 38 -8.763 -2.971 -11.082 259 HB VAL 38 HB VAL 38 -7.138 -4.764 -11.682 260 HG11 VAL 38 1HG1 VAL 38 -6.359 -5.147 -9.364 261 HG12 VAL 38 2HG1 VAL 38 -6.850 -3.459 -9.645 262 HG13 VAL 38 3HG1 VAL 38 -7.927 -4.562 -8.756 263 HG21 VAL 38 1HG2 VAL 38 -8.847 -6.611 -11.748 264 HG22 VAL 38 2HG2 VAL 38 -7.369 -6.995 -10.834 265 HG23 VAL 38 3HG2 VAL 38 -8.866 -6.574 -9.968 266 H ASP 39 H ASP 39 -7.764 -3.879 -13.423 267 HA ASP 39 HA ASP 39 -10.178 -4.478 -14.948 268 HB2 ASP 39 1HB ASP 39 -7.964 -2.488 -15.343 269 HB3 ASP 39 2HB ASP 39 -8.564 -3.273 -16.790 270 H GLU 40 H GLU 40 -6.595 -4.766 -14.600 271 HA GLU 40 HA GLU 40 -6.739 -7.099 -16.347 272 HB2 GLU 40 1HB GLU 40 -4.349 -5.242 -15.971 273 HB3 GLU 40 2HB GLU 40 -4.415 -6.629 -17.039 274 HG2 GLU 40 1HG GLU 40 -5.973 -4.025 -17.269 275 HG3 GLU 40 2HG GLU 40 -4.836 -4.700 -18.418 276 H SER 41 H SER 41 -4.244 -5.711 -14.100 277 HA SER 41 HA SER 41 -4.548 -7.067 -11.904 278 HB2 SER 41 1HB SER 41 -2.982 -9.182 -12.395 279 HB3 SER 41 2HB SER 41 -4.721 -9.264 -12.590 280 HG SER 41 HG SER 41 -4.504 -9.494 -14.716 281 H ARG 42 H ARG 42 -2.472 -6.010 -14.508 282 HA ARG 42 HA ARG 42 -0.600 -5.076 -12.567 283 HB2 ARG 42 1HB ARG 42 1.388 -6.035 -13.743 284 HB3 ARG 42 2HB ARG 42 0.356 -7.295 -13.095 285 HG2 ARG 42 1HG ARG 42 -0.687 -6.812 -15.675 286 HG3 ARG 42 2HG ARG 42 1.049 -6.714 -15.892 287 HD2 ARG 42 1HD ARG 42 -0.320 -9.023 -14.435 288 HD3 ARG 42 2HD ARG 42 0.049 -9.057 -16.147 289 HE ARG 42 HE ARG 42 2.380 -8.352 -14.544 290 HH11 ARG 42 2HH2 ARG 42 0.448 -11.050 -15.716 291 HH12 ARG 42 1HH2 ARG 42 1.744 -12.193 -15.601 292 HH21 ARG 42 2HH1 ARG 42 4.090 -9.860 -14.393 293 HH22 ARG 42 1HH1 ARG 42 3.829 -11.512 -14.843 294 H GLY 43 H GLY 43 -0.135 -2.974 -13.153 295 HA2 GLY 43 1HA GLY 43 0.792 -2.050 -15.532 296 HA3 GLY 43 2HA GLY 43 -0.947 -2.012 -15.743 297 H MET 44 H MET 44 1.295 0.124 -15.309 298 HA MET 44 HA MET 44 0.749 1.292 -12.826 299 HB2 MET 44 1HB MET 44 1.964 2.276 -15.454 300 HB3 MET 44 2HB MET 44 1.814 3.349 -14.077 301 HG2 MET 44 1HG MET 44 3.501 2.303 -12.903 302 HG3 MET 44 2HG MET 44 3.020 0.702 -13.429 303 HE1 MET 44 1HE MET 44 2.838 0.721 -16.377 304 HE2 MET 44 2HE MET 44 4.479 0.487 -17.027 305 HE3 MET 44 3HE MET 44 3.922 -0.485 -15.644 306 H HIS 45 H HIS 45 -0.681 1.597 -16.090 307 HA HIS 45 HA HIS 45 -2.185 3.916 -15.415 308 HB2 HIS 45 1HB HIS 45 -3.272 3.535 -17.591 309 HB3 HIS 45 2HB HIS 45 -1.522 3.547 -17.697 310 HD1 HIS 45 1HD HIS 45 -0.321 1.271 -18.241 311 HD2 HIS 45 2HD HIS 45 -4.512 1.084 -18.231 312 HE1 HIS 45 1HE HIS 45 -0.941 -0.940 -19.352 313 H ILE 46 H ILE 46 -2.367 0.669 -14.478 314 HA ILE 46 HA ILE 46 -5.245 0.511 -14.482 315 HB ILE 46 HB ILE 46 -3.290 -1.341 -13.134 316 HG12 ILE 46 1HG1 ILE 46 -2.695 -0.859 -15.558 317 HG13 ILE 46 2HG1 ILE 46 -2.951 -2.538 -15.125 318 HG21 ILE 46 1HG2 ILE 46 -5.142 -2.416 -12.554 319 HG22 ILE 46 2HG2 ILE 46 -6.152 -1.287 -13.489 320 HG23 ILE 46 3HG2 ILE 46 -5.455 -2.721 -14.280 321 HD11 ILE 46 1HD1 ILE 46 -4.289 -1.043 -17.151 322 HD12 ILE 46 2HD1 ILE 46 -4.614 -2.719 -16.648 323 HD13 ILE 46 3HD1 ILE 46 -5.497 -1.375 -15.886 324 H CYS 47 H CYS 47 -2.598 0.647 -11.996 325 HA CYS 47 HA CYS 47 -4.085 0.733 -9.762 326 HB2 CYS 47 1HB CYS 47 -1.509 2.100 -10.505 327 HB3 CYS 47 2HB CYS 47 -2.235 2.412 -8.940 328 HG CYS 47 HG CYS 47 -1.449 -0.492 -10.326 329 H GLU 48 H GLU 48 -3.171 3.556 -11.870 330 HA GLU 48 HA GLU 48 -4.548 5.445 -10.419 331 HB2 GLU 48 1HB GLU 48 -3.670 5.262 -13.314 332 HB3 GLU 48 2HB GLU 48 -4.582 6.650 -12.758 333 HG2 GLU 48 1HG GLU 48 -2.850 7.447 -11.440 334 HG3 GLU 48 2HG GLU 48 -2.277 5.843 -11.027 335 H ASP 49 H ASP 49 -5.580 3.469 -13.279 336 HA ASP 49 HA ASP 49 -7.936 4.509 -13.852 337 HB2 ASP 49 1HB ASP 49 -6.671 2.007 -14.198 338 HB3 ASP 49 2HB ASP 49 -8.221 1.601 -13.488 339 H ALA 50 H ALA 50 -7.117 2.417 -11.026 340 HA ALA 50 HA ALA 50 -9.683 1.962 -10.080 341 HB1 ALA 50 1HB ALA 50 -8.587 1.333 -8.038 342 HB2 ALA 50 2HB ALA 50 -7.488 0.894 -9.368 343 HB3 ALA 50 3HB ALA 50 -7.179 2.358 -8.404 344 H VAL 51 H VAL 51 -7.297 4.457 -8.921 345 HA VAL 51 HA VAL 51 -8.837 5.818 -7.208 346 HB VAL 51 HB VAL 51 -7.011 7.031 -9.292 347 HG11 VAL 51 1HG1 VAL 51 -8.594 8.420 -7.608 348 HG12 VAL 51 2HG1 VAL 51 -7.198 8.143 -6.539 349 HG13 VAL 51 3HG1 VAL 51 -6.974 8.967 -8.101 350 HG21 VAL 51 1HG2 VAL 51 -6.499 5.302 -6.964 351 HG22 VAL 51 2HG2 VAL 51 -5.467 5.681 -8.364 352 HG23 VAL 51 3HG2 VAL 51 -5.540 6.802 -6.983 353 H LYS 52 H LYS 52 -8.656 6.618 -10.755 354 HA LYS 52 HA LYS 52 -10.560 8.522 -10.860 355 HB2 LYS 52 1HB LYS 52 -9.773 6.357 -12.802 356 HB3 LYS 52 2HB LYS 52 -11.037 7.501 -13.205 357 HG2 LYS 52 1HG LYS 52 -9.392 8.923 -13.865 358 HG3 LYS 52 2HG LYS 52 -9.015 9.143 -12.168 359 HD2 LYS 52 1HD LYS 52 -7.113 7.860 -12.285 360 HD3 LYS 52 2HD LYS 52 -7.858 6.665 -13.328 361 HE2 LYS 52 1HE LYS 52 -7.265 9.400 -14.472 362 HE3 LYS 52 2HE LYS 52 -5.931 8.288 -14.240 363 HZ1 LYS 52 1HZ LYS 52 -6.817 6.818 -15.729 364 HZ2 LYS 52 2HZ LYS 52 -8.350 7.359 -15.572 365 HZ3 LYS 52 3HZ LYS 52 -7.257 8.235 -16.410 366 H ARG 53 H ARG 53 -11.164 4.950 -11.141 367 HA ARG 53 HA ARG 53 -13.784 4.937 -11.473 368 HB2 ARG 53 1HB ARG 53 -11.936 3.042 -10.814 369 HB3 ARG 53 2HB ARG 53 -12.798 3.115 -9.290 370 HG2 ARG 53 1HG ARG 53 -14.900 2.533 -10.330 371 HG3 ARG 53 2HG ARG 53 -14.268 2.816 -11.940 372 HD2 ARG 53 1HD ARG 53 -13.346 0.725 -12.071 373 HD3 ARG 53 2HD ARG 53 -12.666 0.826 -10.459 374 HE ARG 53 HE ARG 53 -14.569 -0.250 -9.597 375 HH11 ARG 53 2HH2 ARG 53 -15.207 0.818 -12.889 376 HH12 ARG 53 1HH2 ARG 53 -16.710 -0.035 -13.010 377 HH21 ARG 53 2HH1 ARG 53 -16.552 -1.374 -9.756 378 HH22 ARG 53 1HH1 ARG 53 -17.480 -1.290 -11.216 379 H LEU 54 H LEU 54 -12.126 5.153 -8.239 380 HA LEU 54 HA LEU 54 -14.526 5.459 -6.798 381 HB2 LEU 54 1HB LEU 54 -11.687 6.194 -6.070 382 HB3 LEU 54 2HB LEU 54 -13.036 6.112 -4.954 383 HG LEU 54 HG LEU 54 -12.263 3.697 -6.577 384 HD11 LEU 54 1HD1 LEU 54 -10.978 4.571 -3.976 385 HD12 LEU 54 2HD1 LEU 54 -10.794 2.972 -4.735 386 HD13 LEU 54 3HD1 LEU 54 -10.185 4.425 -5.562 387 HD21 LEU 54 1HD2 LEU 54 -14.235 4.278 -4.616 388 HD22 LEU 54 2HD2 LEU 54 -13.886 2.729 -5.420 389 HD23 LEU 54 3HD2 LEU 54 -13.071 3.143 -3.893 390 H LYS 55 H LYS 55 -12.360 7.681 -8.533 391 HA LYS 55 HA LYS 55 -13.338 10.037 -7.329 392 HB2 LYS 55 1HB LYS 55 -11.338 9.305 -9.191 393 HB3 LYS 55 2HB LYS 55 -12.377 10.444 -10.023 394 HG2 LYS 55 1HG LYS 55 -11.907 12.187 -8.540 395 HG3 LYS 55 2HG LYS 55 -11.620 11.110 -7.188 396 HD2 LYS 55 1HD LYS 55 -9.649 10.564 -9.247 397 HD3 LYS 55 2HD LYS 55 -9.682 12.290 -8.945 398 HE2 LYS 55 1HE LYS 55 -9.769 10.616 -6.481 399 HE3 LYS 55 2HE LYS 55 -8.293 10.451 -7.412 400 HZ1 LYS 55 1HZ LYS 55 -9.187 13.150 -7.103 401 HZ2 LYS 55 2HZ LYS 55 -8.778 12.423 -5.699 402 HZ3 LYS 55 3HZ LYS 55 -7.693 12.519 -6.916 403 H ALA 56 H ALA 56 -14.657 7.781 -9.625 404 HA ALA 56 HA ALA 56 -16.562 9.785 -10.580 405 HB1 ALA 56 1HB ALA 56 -16.254 8.689 -12.516 406 HB2 ALA 56 2HB ALA 56 -15.248 7.464 -11.706 407 HB3 ALA 56 3HB ALA 56 -17.014 7.256 -11.783 408 H THR 57 H THR 57 -16.120 7.211 -8.284 409 HA THR 57 HA THR 57 -18.843 6.377 -8.163 410 HB THR 57 HB THR 57 -16.434 5.369 -7.325 411 HG1 THR 57 1HG THR 57 -17.884 3.809 -6.534 412 HG21 THR 57 1HG2 THR 57 -16.220 5.462 -4.956 413 HG22 THR 57 2HG2 THR 57 -16.568 7.155 -5.380 414 HG23 THR 57 3HG2 THR 57 -17.863 6.112 -4.745 415 H GLY 58 H GLY 58 -17.107 9.175 -7.050 416 HA2 GLY 58 1HA GLY 58 -17.760 10.951 -5.839 417 HA3 GLY 58 2HA GLY 58 -19.414 10.463 -6.147 418 H LYS 59 H LYS 59 -16.561 9.506 -4.105 419 HA LYS 59 HA LYS 59 -18.460 9.156 -1.896 420 HB2 LYS 59 1HB LYS 59 -17.157 7.070 -3.155 421 HB3 LYS 59 2HB LYS 59 -16.095 7.415 -1.805 422 HG2 LYS 59 1HG LYS 59 -17.707 6.871 -0.204 423 HG3 LYS 59 2HG LYS 59 -19.048 7.340 -1.231 424 HD2 LYS 59 1HD LYS 59 -19.235 5.253 -2.155 425 HD3 LYS 59 2HD LYS 59 -17.502 5.071 -2.337 426 HE2 LYS 59 1HE LYS 59 -17.374 4.662 0.192 427 HE3 LYS 59 2HE LYS 59 -19.125 4.627 0.211 428 HZ1 LYS 59 1HZ LYS 59 -17.381 2.596 -0.520 429 HZ2 LYS 59 2HZ LYS 59 -19.011 2.545 -0.441 430 HZ3 LYS 59 3HZ LYS 59 -18.275 2.972 -1.834 431 H LYS 60 H LYS 60 -16.118 8.426 -0.144 432 HA LYS 60 HA LYS 60 -14.572 10.886 -0.207 433 HB2 LYS 60 1HB LYS 60 -15.107 11.488 2.069 434 HB3 LYS 60 2HB LYS 60 -16.577 11.434 1.118 435 HG2 LYS 60 1HG LYS 60 -17.385 9.533 2.197 436 HG3 LYS 60 2HG LYS 60 -15.784 8.890 2.507 437 HD2 LYS 60 1HD LYS 60 -16.281 9.571 4.659 438 HD3 LYS 60 2HD LYS 60 -15.604 11.078 4.075 439 HE2 LYS 60 1HE LYS 60 -18.578 10.468 3.821 440 HE3 LYS 60 2HE LYS 60 -17.911 11.182 5.276 441 HZ1 LYS 60 1HZ LYS 60 -18.657 12.851 3.739 442 HZ2 LYS 60 2HZ LYS 60 -17.040 12.970 3.930 443 HZ3 LYS 60 3HZ LYS 60 -17.655 12.304 2.572 444 H ALA 61 H ALA 61 -12.921 10.742 1.783 445 HA ALA 61 HA ALA 61 -11.934 7.972 1.748 446 HB1 ALA 61 1HB ALA 61 -10.734 10.337 0.848 447 HB2 ALA 61 2HB ALA 61 -9.983 10.040 2.434 448 HB3 ALA 61 3HB ALA 61 -9.916 8.789 1.169 449 H VAL 62 H VAL 62 -10.600 7.398 3.742 450 HA VAL 62 HA VAL 62 -11.849 8.651 6.090 451 HB VAL 62 HB VAL 62 -11.142 5.801 5.437 452 HG11 VAL 62 1HG1 VAL 62 -10.149 6.349 7.646 453 HG12 VAL 62 2HG1 VAL 62 -11.752 6.874 8.212 454 HG13 VAL 62 3HG1 VAL 62 -11.481 5.174 7.760 455 HG21 VAL 62 1HG2 VAL 62 -13.474 5.442 6.326 456 HG22 VAL 62 2HG2 VAL 62 -13.645 7.212 6.407 457 HG23 VAL 62 3HG2 VAL 62 -13.378 6.415 4.838 458 H LYS 63 H LYS 63 -10.486 8.736 8.050 459 HA LYS 63 HA LYS 63 -7.720 9.232 7.276 460 HB2 LYS 63 1HB LYS 63 -9.416 10.115 9.619 461 HB3 LYS 63 2HB LYS 63 -7.681 10.353 9.573 462 HG2 LYS 63 1HG LYS 63 -8.615 11.233 7.036 463 HG3 LYS 63 2HG LYS 63 -9.784 11.845 8.189 464 HD2 LYS 63 1HD LYS 63 -8.266 13.560 8.403 465 HD3 LYS 63 2HD LYS 63 -7.505 12.466 9.540 466 HE2 LYS 63 1HE LYS 63 -5.978 11.628 7.796 467 HE3 LYS 63 2HE LYS 63 -6.806 12.564 6.568 468 HZ1 LYS 63 1HZ LYS 63 -6.218 14.537 8.014 469 HZ2 LYS 63 2HZ LYS 63 -5.161 13.549 8.772 470 HZ3 LYS 63 3HZ LYS 63 -5.002 13.842 7.173 471 H ALA 64 H ALA 64 -6.482 7.418 7.363 472 HA ALA 64 HA ALA 64 -6.377 6.055 9.922 473 HB1 ALA 64 1HB ALA 64 -7.590 4.304 9.197 474 HB2 ALA 64 2HB ALA 64 -7.668 4.965 7.547 475 HB3 ALA 64 3HB ALA 64 -6.279 3.967 8.041 476 H VAL 65 H VAL 65 -4.437 4.460 9.887 477 HA VAL 65 HA VAL 65 -2.312 5.764 8.342 478 HB VAL 65 HB VAL 65 -2.217 4.169 10.910 479 HG11 VAL 65 1HG1 VAL 65 0.085 4.462 10.989 480 HG12 VAL 65 2HG1 VAL 65 -0.189 4.151 9.258 481 HG13 VAL 65 3HG1 VAL 65 0.060 5.817 9.834 482 HG21 VAL 65 1HG2 VAL 65 -3.245 6.565 10.857 483 HG22 VAL 65 2HG2 VAL 65 -2.030 6.164 12.094 484 HG23 VAL 65 3HG2 VAL 65 -1.559 7.097 10.654 485 H LEU 66 H LEU 66 -1.325 4.642 6.737 486 HA LEU 66 HA LEU 66 -2.127 1.879 6.387 487 HB2 LEU 66 1HB LEU 66 -2.367 3.123 4.443 488 HB3 LEU 66 2HB LEU 66 -0.855 3.980 4.672 489 HG LEU 66 HG LEU 66 0.420 1.988 4.088 490 HD11 LEU 66 1HD1 LEU 66 -1.454 0.441 5.026 491 HD12 LEU 66 2HD1 LEU 66 -2.090 0.506 3.365 492 HD13 LEU 66 3HD1 LEU 66 -0.447 -0.111 3.666 493 HD21 LEU 66 1HD2 LEU 66 -0.287 1.766 1.712 494 HD22 LEU 66 2HD2 LEU 66 -1.761 2.684 2.105 495 HD23 LEU 66 3HD2 LEU 66 -0.163 3.451 2.274 496 H TRP 67 H TRP 67 -0.927 0.196 7.078 497 HA TRP 67 HA TRP 67 1.836 0.776 7.850 498 HB2 TRP 67 1HB TRP 67 -0.025 -1.478 8.622 499 HB3 TRP 67 2HB TRP 67 1.650 -1.351 9.121 500 HD1 TRP 67 HD TRP 67 -1.670 0.649 9.553 501 HE1 TRP 67 1HE TRP 67 -1.669 1.969 11.837 502 HE3 TRP 67 3HE TRP 67 3.094 -0.561 10.854 503 HZ2 TRP 67 2HZ TRP 67 0.280 2.351 13.886 504 HZ3 TRP 67 3HZ TRP 67 3.969 0.326 13.012 505 HH2 TRP 67 HH TRP 67 2.646 1.736 14.508 506 H VAL 68 H VAL 68 3.555 -0.563 7.053 507 HA VAL 68 HA VAL 68 2.788 -2.380 4.884 508 HB VAL 68 HB VAL 68 5.083 -0.423 4.735 509 HG11 VAL 68 1HG1 VAL 68 4.398 -1.103 2.173 510 HG12 VAL 68 2HG1 VAL 68 5.682 -1.885 3.126 511 HG13 VAL 68 3HG1 VAL 68 4.062 -2.617 3.045 512 HG21 VAL 68 1HG2 VAL 68 2.202 -0.087 4.035 513 HG22 VAL 68 2HG2 VAL 68 3.403 1.114 4.568 514 HG23 VAL 68 3HG2 VAL 68 3.405 0.541 2.883 515 H SER 69 H SER 69 3.608 -4.373 5.242 516 HA SER 69 HA SER 69 6.202 -4.525 6.504 517 HB2 SER 69 1HB SER 69 3.842 -6.177 7.501 518 HB3 SER 69 2HB SER 69 5.472 -6.189 8.144 519 HG SER 69 HG SER 69 3.916 -4.864 9.377 520 H ALA 70 H ALA 70 7.094 -6.851 6.333 521 HA ALA 70 HA ALA 70 6.973 -7.720 3.723 522 HB1 ALA 70 1HB ALA 70 8.386 -9.461 4.448 523 HB2 ALA 70 2HB ALA 70 8.675 -8.169 5.638 524 HB3 ALA 70 3HB ALA 70 7.620 -9.542 6.052 525 H ASP 71 H ASP 71 4.898 -8.454 6.512 526 HA ASP 71 HA ASP 71 3.783 -10.775 5.430 527 HB2 ASP 71 1HB ASP 71 2.656 -8.754 7.425 528 HB3 ASP 71 2HB ASP 71 1.944 -10.324 7.112 529 H GLY 72 H GLY 72 3.508 -7.391 4.702 530 HA2 GLY 72 1HA GLY 72 2.255 -7.155 2.511 531 HA3 GLY 72 2HA GLY 72 0.877 -7.756 3.411 532 H LEU 73 H LEU 73 -0.497 -6.059 3.768 533 HA LEU 73 HA LEU 73 0.710 -3.647 4.927 534 HB2 LEU 73 1HB LEU 73 -1.732 -3.411 3.245 535 HB3 LEU 73 2HB LEU 73 -0.470 -2.240 3.574 536 HG LEU 73 HG LEU 73 0.166 -4.665 1.920 537 HD11 LEU 73 1HD1 LEU 73 -0.387 -2.860 -0.012 538 HD12 LEU 73 2HD1 LEU 73 -1.525 -4.116 0.533 539 HD13 LEU 73 3HD1 LEU 73 -1.658 -2.458 1.168 540 HD21 LEU 73 1HD2 LEU 73 1.583 -2.386 2.773 541 HD22 LEU 73 2HD2 LEU 73 2.108 -3.638 1.622 542 HD23 LEU 73 3HD2 LEU 73 1.295 -2.170 1.030 543 H ARG 74 H ARG 74 -1.181 -2.279 6.002 544 HA ARG 74 HA ARG 74 -3.282 -3.906 7.001 545 HB2 ARG 74 1HB ARG 74 -0.857 -3.262 8.668 546 HB3 ARG 74 2HB ARG 74 -2.414 -3.134 9.462 547 HG2 ARG 74 1HG ARG 74 -2.435 -5.575 7.938 548 HG3 ARG 74 2HG ARG 74 -0.917 -5.523 8.812 549 HD2 ARG 74 1HD ARG 74 -2.433 -4.804 10.872 550 HD3 ARG 74 2HD ARG 74 -3.738 -5.489 9.924 551 HE ARG 74 HE ARG 74 -2.900 -7.628 10.363 552 HH11 ARG 74 2HH2 ARG 74 -0.376 -5.258 10.993 553 HH12 ARG 74 1HH2 ARG 74 0.722 -6.417 11.664 554 HH21 ARG 74 2HH1 ARG 74 -1.451 -9.158 11.248 555 HH22 ARG 74 1HH1 ARG 74 0.107 -8.650 11.810 556 H VAL 75 H VAL 75 -4.892 -2.403 6.578 557 HA VAL 75 HA VAL 75 -4.357 0.400 6.930 558 HB VAL 75 HB VAL 75 -6.868 -1.101 6.161 559 HG11 VAL 75 1HG1 VAL 75 -6.162 1.847 6.001 560 HG12 VAL 75 2HG1 VAL 75 -7.568 1.101 5.204 561 HG13 VAL 75 3HG1 VAL 75 -7.445 1.094 6.980 562 HG21 VAL 75 1HG2 VAL 75 -4.577 0.026 4.548 563 HG22 VAL 75 2HG2 VAL 75 -5.318 -1.591 4.471 564 HG23 VAL 75 3HG2 VAL 75 -6.199 -0.178 3.843 565 H VAL 76 H VAL 76 -4.021 0.820 9.123 566 HA VAL 76 HA VAL 76 -5.893 -0.231 11.044 567 HB VAL 76 HB VAL 76 -3.362 1.357 11.079 568 HG11 VAL 76 1HG1 VAL 76 -4.470 2.705 12.617 569 HG12 VAL 76 2HG1 VAL 76 -5.472 1.367 13.228 570 HG13 VAL 76 3HG1 VAL 76 -3.747 1.455 13.658 571 HG21 VAL 76 1HG2 VAL 76 -3.573 -1.210 11.168 572 HG22 VAL 76 2HG2 VAL 76 -2.526 -0.419 12.370 573 HG23 VAL 76 3HG2 VAL 76 -4.153 -0.972 12.834 574 H ASP 77 H ASP 77 -7.223 1.125 12.446 575 HA ASP 77 HA ASP 77 -8.161 3.428 10.956 576 HB2 ASP 77 1HB ASP 77 -9.689 1.479 11.743 577 HB3 ASP 77 2HB ASP 77 -9.482 2.109 13.364 578 H GLU 78 H GLU 78 -7.048 5.275 11.673 579 HA GLU 78 HA GLU 78 -5.654 5.641 13.881 580 HB2 GLU 78 1HB GLU 78 -7.373 7.557 12.292 581 HB3 GLU 78 2HB GLU 78 -6.515 8.142 13.704 582 HG2 GLU 78 1HG GLU 78 -4.583 6.615 12.333 583 HG3 GLU 78 2HG GLU 78 -5.464 7.419 11.049 584 H LYS 79 H LYS 79 -9.188 5.510 13.670 585 HA LYS 79 HA LYS 79 -10.047 6.811 15.856 586 HB2 LYS 79 1HB LYS 79 -11.303 5.348 14.135 587 HB3 LYS 79 2HB LYS 79 -11.011 4.019 15.239 588 HG2 LYS 79 1HG LYS 79 -12.312 6.644 16.096 589 HG3 LYS 79 2HG LYS 79 -13.230 5.247 15.570 590 HD2 LYS 79 1HD LYS 79 -13.106 4.387 17.662 591 HD3 LYS 79 2HD LYS 79 -11.363 4.279 17.507 592 HE2 LYS 79 1HE LYS 79 -11.179 6.686 18.253 593 HE3 LYS 79 2HE LYS 79 -12.916 6.727 18.478 594 HZ1 LYS 79 1HZ LYS 79 -11.670 6.212 20.499 595 HZ2 LYS 79 2HZ LYS 79 -12.734 5.033 20.116 596 HZ3 LYS 79 3HZ LYS 79 -11.140 4.818 19.832 597 H THR 80 H THR 80 -9.384 3.252 16.083 598 HA THR 80 HA THR 80 -8.186 3.799 18.719 599 HB THR 80 HB THR 80 -10.579 2.805 18.682 600 HG1 THR 80 1HG THR 80 -8.762 2.575 20.346 601 HG21 THR 80 1HG2 THR 80 -10.373 0.202 18.464 602 HG22 THR 80 2HG2 THR 80 -10.545 1.137 16.960 603 HG23 THR 80 3HG2 THR 80 -8.944 0.541 17.459 604 H LYS 81 H LYS 81 -7.142 3.393 15.821 605 HA LYS 81 HA LYS 81 -5.311 2.511 14.955 606 HB2 LYS 81 1HB LYS 81 -4.884 1.948 17.848 607 HB3 LYS 81 2HB LYS 81 -3.896 1.045 16.717 608 HG2 LYS 81 1HG LYS 81 -4.200 4.084 16.662 609 HG3 LYS 81 2HG LYS 81 -2.880 3.249 17.456 610 HD2 LYS 81 1HD LYS 81 -2.541 2.071 15.112 611 HD3 LYS 81 2HD LYS 81 -3.506 3.395 14.491 612 HE2 LYS 81 1HE LYS 81 -1.595 4.599 16.231 613 HE3 LYS 81 2HE LYS 81 -0.704 3.397 15.319 614 HZ1 LYS 81 1HZ LYS 81 -0.978 5.659 14.294 615 HZ2 LYS 81 2HZ LYS 81 -1.319 4.386 13.330 616 HZ3 LYS 81 3HZ LYS 81 -2.532 5.257 13.991 617 H ASP 82 H ASP 82 -8.032 0.950 15.780 618 HA ASP 82 HA ASP 82 -7.492 -1.708 15.779 619 HB2 ASP 82 1HB ASP 82 -9.752 -0.172 15.722 620 HB3 ASP 82 2HB ASP 82 -9.787 -0.783 14.080 621 H LEU 83 H LEU 83 -8.687 -2.950 13.550 622 HA LEU 83 HA LEU 83 -6.906 -2.127 11.362 623 HB2 LEU 83 1HB LEU 83 -6.299 -4.251 12.446 624 HB3 LEU 83 2HB LEU 83 -7.888 -4.893 12.080 625 HG LEU 83 HG LEU 83 -7.449 -4.832 9.707 626 HD11 LEU 83 1HD1 LEU 83 -6.217 -2.932 9.246 627 HD12 LEU 83 2HD1 LEU 83 -5.013 -3.272 10.512 628 HD13 LEU 83 3HD1 LEU 83 -5.016 -4.224 9.008 629 HD21 LEU 83 1HD2 LEU 83 -6.727 -6.832 10.798 630 HD22 LEU 83 2HD2 LEU 83 -5.499 -6.396 9.586 631 HD23 LEU 83 3HD2 LEU 83 -5.201 -6.072 11.310 632 H ILE 84 H ILE 84 -7.860 -1.466 9.507 633 HA ILE 84 HA ILE 84 -10.752 -1.748 9.362 634 HB ILE 84 HB ILE 84 -8.887 -0.131 7.624 635 HG12 ILE 84 1HG1 ILE 84 -10.485 0.899 9.977 636 HG13 ILE 84 2HG1 ILE 84 -8.811 0.401 10.121 637 HG21 ILE 84 1HG2 ILE 84 -10.686 0.641 6.538 638 HG22 ILE 84 2HG2 ILE 84 -11.499 -0.812 7.168 639 HG23 ILE 84 3HG2 ILE 84 -11.666 0.742 8.020 640 HD11 ILE 84 1HD1 ILE 84 -9.505 2.293 7.884 641 HD12 ILE 84 2HD1 ILE 84 -9.468 2.934 9.544 642 HD13 ILE 84 3HD1 ILE 84 -8.014 2.179 8.849 643 H VAL 85 H VAL 85 -7.733 -2.568 7.575 644 HA VAL 85 HA VAL 85 -9.224 -4.695 6.268 645 HB VAL 85 HB VAL 85 -7.783 -2.453 4.858 646 HG11 VAL 85 1HG1 VAL 85 -6.904 -4.560 3.968 647 HG12 VAL 85 2HG1 VAL 85 -8.561 -5.153 3.701 648 HG13 VAL 85 3HG1 VAL 85 -7.955 -3.757 2.778 649 HG21 VAL 85 1HG2 VAL 85 -9.834 -2.232 3.601 650 HG22 VAL 85 2HG2 VAL 85 -10.513 -3.688 4.367 651 HG23 VAL 85 3HG2 VAL 85 -10.224 -2.225 5.338 652 H ASP 86 H ASP 86 -7.775 -6.373 5.384 653 HA ASP 86 HA ASP 86 -5.094 -6.145 6.496 654 HB2 ASP 86 1HB ASP 86 -6.055 -7.639 8.031 655 HB3 ASP 86 2HB ASP 86 -7.165 -8.304 6.850 656 H GLN 87 H GLN 87 -3.712 -6.252 4.718 657 HA GLN 87 HA GLN 87 -4.484 -8.113 2.608 658 HB2 GLN 87 1HB GLN 87 -4.754 -5.765 1.859 659 HB3 GLN 87 2HB GLN 87 -3.094 -5.414 2.300 660 HG2 GLN 87 1HG GLN 87 -3.121 -5.830 -0.085 661 HG3 GLN 87 2HG GLN 87 -2.338 -7.206 0.667 662 HE21 GLN 87 1HE2 GLN 87 -2.815 -8.869 -0.574 663 HE22 GLN 87 2HE2 GLN 87 -4.399 -9.390 -1.044 664 H THR 88 H THR 88 -2.802 -9.394 1.692 665 HA THR 88 HA THR 88 -0.301 -9.309 3.243 666 HB THR 88 HB THR 88 -1.539 -11.380 3.589 667 HG1 THR 88 1HG THR 88 0.300 -12.515 3.043 668 HG21 THR 88 1HG2 THR 88 -2.979 -12.095 1.959 669 HG22 THR 88 2HG2 THR 88 -2.238 -11.014 0.756 670 HG23 THR 88 3HG2 THR 88 -1.547 -12.628 1.047 671 H ILE 89 H ILE 89 1.696 -9.324 2.232 672 HA ILE 89 HA ILE 89 1.845 -8.000 -0.195 673 HB ILE 89 HB ILE 89 3.543 -8.488 1.793 674 HG12 ILE 89 1HG1 ILE 89 5.370 -7.694 0.192 675 HG13 ILE 89 2HG1 ILE 89 4.167 -7.779 -1.080 676 HG21 ILE 89 1HG2 ILE 89 4.833 -10.181 -0.312 677 HG22 ILE 89 2HG2 ILE 89 5.129 -10.108 1.442 678 HG23 ILE 89 3HG2 ILE 89 3.677 -10.927 0.818 679 HD11 ILE 89 1HD1 ILE 89 2.673 -6.267 0.295 680 HD12 ILE 89 2HD1 ILE 89 4.006 -6.097 1.462 681 HD13 ILE 89 3HD1 ILE 89 4.202 -5.504 -0.205 682 H GLU 90 H GLU 90 1.614 -11.461 0.596 683 HA GLU 90 HA GLU 90 2.548 -12.533 -1.721 684 HB2 GLU 90 1HB GLU 90 0.326 -13.394 0.163 685 HB3 GLU 90 2HB GLU 90 0.779 -14.380 -1.214 686 HG2 GLU 90 1HG GLU 90 2.591 -13.517 1.085 687 HG3 GLU 90 2HG GLU 90 2.024 -15.141 0.752 688 H LYS 91 H LYS 91 -0.957 -11.857 -0.980 689 HA LYS 91 HA LYS 91 -1.948 -12.365 -3.471 690 HB2 LYS 91 1HB LYS 91 -2.792 -10.738 -1.131 691 HB3 LYS 91 2HB LYS 91 -3.596 -10.385 -2.647 692 HG2 LYS 91 1HG LYS 91 -4.926 -12.183 -2.256 693 HG3 LYS 91 2HG LYS 91 -3.534 -13.196 -2.584 694 HD2 LYS 91 1HD LYS 91 -2.921 -13.253 -0.221 695 HD3 LYS 91 2HD LYS 91 -4.109 -12.028 0.176 696 HE2 LYS 91 1HE LYS 91 -4.825 -14.757 -0.997 697 HE3 LYS 91 2HE LYS 91 -4.822 -14.411 0.721 698 HZ1 LYS 91 1HZ LYS 91 -6.480 -12.758 0.379 699 HZ2 LYS 91 2HZ LYS 91 -6.414 -12.917 -1.245 700 HZ3 LYS 91 3HZ LYS 91 -6.993 -14.138 -0.328 701 H VAL 92 H VAL 92 -0.845 -9.147 -2.188 702 HA VAL 92 HA VAL 92 -1.264 -7.581 -4.314 703 HB VAL 92 HB VAL 92 1.157 -7.740 -2.515 704 HG11 VAL 92 1HG1 VAL 92 0.955 -6.260 -4.889 705 HG12 VAL 92 2HG1 VAL 92 0.612 -5.097 -3.586 706 HG13 VAL 92 3HG1 VAL 92 2.129 -6.028 -3.572 707 HG21 VAL 92 1HG2 VAL 92 -1.231 -5.871 -2.411 708 HG22 VAL 92 2HG2 VAL 92 -1.094 -7.372 -1.464 709 HG23 VAL 92 3HG2 VAL 92 0.065 -6.047 -1.204 710 H SER 93 H SER 93 -0.770 -7.582 -6.446 711 HA SER 93 HA SER 93 1.329 -9.417 -7.256 712 HB2 SER 93 1HB SER 93 -0.484 -10.034 -8.541 713 HB3 SER 93 2HB SER 93 -1.219 -8.445 -8.468 714 HG SER 93 HG SER 93 -0.264 -9.232 -10.605 715 H PHE 94 H PHE 94 0.002 -6.104 -7.957 716 HA PHE 94 HA PHE 94 2.737 -5.204 -8.365 717 HB2 PHE 94 1HB PHE 94 1.719 -5.856 -10.600 718 HB3 PHE 94 2HB PHE 94 0.349 -4.814 -10.270 719 HD1 PHE 94 1HD PHE 94 4.080 -4.559 -10.363 720 HD2 PHE 94 2HD PHE 94 0.353 -2.753 -11.289 721 HE1 PHE 94 1HE PHE 94 5.280 -2.638 -11.446 722 HE2 PHE 94 2HE PHE 94 1.553 -0.832 -12.371 723 HZ PHE 94 HZ PHE 94 4.002 -0.798 -12.437 724 H CYS 95 H CYS 95 2.883 -2.775 -8.382 725 HA CYS 95 HA CYS 95 0.561 -1.370 -7.465 726 HB2 CYS 95 1HB CYS 95 1.801 -0.538 -5.380 727 HB3 CYS 95 2HB CYS 95 1.082 -2.134 -5.310 728 HG CYS 95 HG CYS 95 4.167 -1.116 -5.427 729 H ALA 96 H ALA 96 0.732 0.758 -8.184 730 HA ALA 96 HA ALA 96 3.416 1.750 -8.793 731 HB1 ALA 96 1HB ALA 96 1.071 2.015 -10.706 732 HB2 ALA 96 2HB ALA 96 2.779 2.420 -11.000 733 HB3 ALA 96 3HB ALA 96 2.284 0.718 -10.836 734 HA PRO 97 HA PRO 97 1.787 5.313 -6.959 735 HB2 PRO 97 1HB PRO 97 3.526 7.216 -7.866 736 HB3 PRO 97 2HB PRO 97 3.892 6.142 -6.531 737 HG2 PRO 97 1HG PRO 97 4.903 6.058 -9.308 738 HG3 PRO 97 2HG PRO 97 5.557 5.285 -7.877 739 HD2 PRO 97 1HD PRO 97 4.048 4.029 -9.968 740 HD3 PRO 97 2HD PRO 97 4.603 3.283 -8.483 741 H ASP 98 H ASP 98 1.741 7.967 -7.809 742 HA ASP 98 HA ASP 98 0.289 7.783 -10.300 743 HB2 ASP 98 1HB ASP 98 -0.822 8.791 -7.653 744 HB3 ASP 98 2HB ASP 98 -1.474 9.361 -9.177 745 H ARG 99 H ARG 99 0.424 9.784 -11.493 746 HA ARG 99 HA ARG 99 1.876 11.888 -10.099 747 HB2 ARG 99 1HB ARG 99 2.917 12.411 -12.378 748 HB3 ARG 99 2HB ARG 99 3.438 10.900 -11.660 749 HG2 ARG 99 1HG ARG 99 2.572 9.681 -13.373 750 HG3 ARG 99 2HG ARG 99 1.019 10.484 -13.251 751 HD2 ARG 99 1HD ARG 99 2.035 12.466 -14.509 752 HD3 ARG 99 2HD ARG 99 3.474 11.499 -14.759 753 HE ARG 99 HE ARG 99 1.300 9.909 -15.617 754 HH11 ARG 99 2HH2 ARG 99 2.792 12.968 -16.511 755 HH12 ARG 99 1HH2 ARG 99 2.330 12.853 -18.177 756 HH21 ARG 99 2HH1 ARG 99 0.690 9.757 -17.814 757 HH22 ARG 99 1HH1 ARG 99 1.127 11.014 -18.923 758 H ASN 100 H ASN 100 -1.027 10.971 -11.459 759 HA ASN 100 HA ASN 100 -1.523 13.430 -12.855 760 HB2 ASN 100 1HB ASN 100 -3.538 11.237 -12.164 761 HB3 ASN 100 2HB ASN 100 -3.667 12.424 -13.447 762 HD21 ASN 100 1HD2 ASN 100 -3.294 9.321 -13.017 763 HD22 ASN 100 2HD2 ASN 100 -2.211 8.868 -14.290 764 H PHE 101 H PHE 101 -1.923 11.924 -9.697 765 HA PHE 101 HA PHE 101 -3.746 14.080 -8.896 766 HB2 PHE 101 1HB PHE 101 -3.122 11.366 -7.590 767 HB3 PHE 101 2HB PHE 101 -4.397 12.461 -7.097 768 HD1 PHE 101 1HD PHE 101 -6.445 12.658 -8.405 769 HD2 PHE 101 2HD PHE 101 -3.366 9.979 -9.569 770 HE1 PHE 101 1HE PHE 101 -8.042 11.493 -9.952 771 HE2 PHE 101 2HE PHE 101 -4.964 8.814 -11.115 772 HZ PHE 101 HZ PHE 101 -7.283 9.585 -11.288 773 H ASP 102 H ASP 102 -3.476 14.675 -6.471 774 HA ASP 102 HA ASP 102 -0.923 15.665 -6.152 775 HB2 ASP 102 1HB ASP 102 -3.428 15.918 -4.890 776 HB3 ASP 102 2HB ASP 102 -2.397 15.280 -3.625 777 H ARG 103 H ARG 103 -2.689 12.897 -4.590 778 HA ARG 103 HA ARG 103 -0.265 11.481 -4.311 779 HB2 ARG 103 1HB ARG 103 -0.564 11.205 -1.755 780 HB3 ARG 103 2HB ARG 103 0.100 12.732 -2.300 781 HG2 ARG 103 1HG ARG 103 -2.468 13.477 -2.352 782 HG3 ARG 103 2HG ARG 103 -2.669 12.138 -1.239 783 HD2 ARG 103 1HD ARG 103 -0.997 13.103 0.302 784 HD3 ARG 103 2HD ARG 103 -0.629 14.380 -0.841 785 HE ARG 103 HE ARG 103 -3.015 14.194 0.875 786 HH11 ARG 103 2HH2 ARG 103 -1.541 15.734 -1.924 787 HH12 ARG 103 1HH2 ARG 103 -2.587 17.114 -1.875 788 HH21 ARG 103 2HH1 ARG 103 -4.394 16.015 0.941 789 HH22 ARG 103 1HH1 ARG 103 -4.220 17.275 -0.234 790 H ALA 104 H ALA 104 -1.375 9.828 -5.472 791 HA ALA 104 HA ALA 104 -3.472 8.497 -3.917 792 HB1 ALA 104 1HB ALA 104 -3.746 9.833 -6.477 793 HB2 ALA 104 2HB ALA 104 -4.044 8.088 -6.660 794 HB3 ALA 104 3HB ALA 104 -4.989 9.034 -5.485 795 H PHE 105 H PHE 105 -2.845 6.450 -3.468 796 HA PHE 105 HA PHE 105 -1.095 5.150 -5.432 797 HB2 PHE 105 1HB PHE 105 0.313 5.681 -3.545 798 HB3 PHE 105 2HB PHE 105 -0.994 5.458 -2.399 799 HD1 PHE 105 2HD PHE 105 1.324 3.635 -4.640 800 HD2 PHE 105 1HD PHE 105 -1.333 3.379 -1.340 801 HE1 PHE 105 2HE PHE 105 2.136 1.307 -4.167 802 HE2 PHE 105 1HE PHE 105 -0.521 1.051 -0.867 803 HZ PHE 105 HZ PHE 105 1.204 0.043 -2.286 804 H SER 106 H SER 106 -1.681 3.087 -6.027 805 HA SER 106 HA SER 106 -3.569 1.719 -4.314 806 HB2 SER 106 1HB SER 106 -4.991 1.128 -6.293 807 HB3 SER 106 2HB SER 106 -5.020 2.839 -5.912 808 HG SER 106 HG SER 106 -4.536 3.059 -7.995 809 H TYR 107 H TYR 107 -3.799 -0.659 -5.016 810 HA TYR 107 HA TYR 107 -1.652 -1.610 -6.715 811 HB2 TYR 107 1HB TYR 107 -0.681 -2.928 -4.880 812 HB3 TYR 107 2HB TYR 107 -0.831 -1.291 -4.273 813 HD1 TYR 107 2HD TYR 107 -2.768 -4.502 -4.390 814 HD2 TYR 107 1HD TYR 107 -1.835 -0.947 -2.201 815 HE1 TYR 107 2HE TYR 107 -4.132 -5.350 -2.419 816 HE2 TYR 107 1HE TYR 107 -3.202 -1.806 -0.237 817 HH TYR 107 HH TYR 107 -5.273 -4.521 -0.534 818 H ILE 108 H ILE 108 -1.939 -3.835 -7.372 819 HA ILE 108 HA ILE 108 -4.724 -4.643 -7.130 820 HB ILE 108 HB ILE 108 -2.505 -5.574 -8.955 821 HG12 ILE 108 1HG1 ILE 108 -4.903 -3.817 -9.552 822 HG13 ILE 108 2HG1 ILE 108 -3.274 -3.223 -9.297 823 HG21 ILE 108 1HG2 ILE 108 -4.916 -6.308 -10.088 824 HG22 ILE 108 2HG2 ILE 108 -3.771 -7.385 -9.253 825 HG23 ILE 108 3HG2 ILE 108 -5.142 -6.682 -8.362 826 HD11 ILE 108 1HD1 ILE 108 -3.676 -3.459 -11.701 827 HD12 ILE 108 2HD1 ILE 108 -2.477 -4.674 -11.196 828 HD13 ILE 108 3HD1 ILE 108 -4.166 -5.156 -11.485 829 H CYS 109 H CYS 109 -5.355 -6.755 -6.441 830 HA CYS 109 HA CYS 109 -3.336 -8.514 -5.433 831 HB2 CYS 109 1HB CYS 109 -3.962 -8.498 -3.118 832 HB3 CYS 109 2HB CYS 109 -3.547 -6.858 -3.576 833 HG CYS 109 HG CYS 109 -6.370 -8.278 -2.807 834 H ARG 110 H ARG 110 -4.192 -10.648 -5.284 835 HA ARG 110 HA ARG 110 -6.651 -10.982 -6.622 836 HB2 ARG 110 1HB ARG 110 -4.585 -12.511 -6.763 837 HB3 ARG 110 2HB ARG 110 -5.007 -13.113 -5.172 838 HG2 ARG 110 1HG ARG 110 -7.396 -13.192 -6.779 839 HG3 ARG 110 2HG ARG 110 -6.101 -13.886 -7.735 840 HD2 ARG 110 1HD ARG 110 -6.653 -14.714 -4.848 841 HD3 ARG 110 2HD ARG 110 -7.367 -15.531 -6.224 842 HE ARG 110 HE ARG 110 -4.595 -15.729 -5.332 843 HH11 ARG 110 2HH2 ARG 110 -6.720 -16.016 -8.122 844 HH12 ARG 110 1HH2 ARG 110 -5.657 -17.081 -8.981 845 HH21 ARG 110 2HH1 ARG 110 -3.193 -17.133 -6.465 846 HH22 ARG 110 1HH1 ARG 110 -3.638 -17.721 -8.033 847 H ASP 111 H ASP 111 -8.596 -12.031 -5.774 848 HA ASP 111 HA ASP 111 -8.678 -12.098 -2.865 849 HB2 ASP 111 1HB ASP 111 -10.044 -10.270 -4.577 850 HB3 ASP 111 2HB ASP 111 -11.261 -11.415 -4.050 851 H GLY 112 H GLY 112 -10.136 -13.759 -2.017 852 HA2 GLY 112 1HA GLY 112 -11.031 -15.699 -4.062 853 HA3 GLY 112 2HA GLY 112 -10.464 -16.109 -2.455 854 H THR 113 H THR 113 -13.162 -14.866 -4.383 855 HA THR 113 HA THR 113 -15.097 -15.786 -2.614 856 HB THR 113 HB THR 113 -14.537 -14.087 -1.022 857 HG1 THR 113 1HG THR 113 -16.512 -12.956 -1.163 858 HG21 THR 113 1HG2 THR 113 -13.344 -12.721 -3.135 859 HG22 THR 113 2HG2 THR 113 -14.812 -11.755 -2.848 860 HG23 THR 113 3HG2 THR 113 -13.649 -12.021 -1.527 861 H THR 114 H THR 114 -14.609 -12.832 -4.673 862 HA THR 114 HA THR 114 -17.028 -13.590 -6.122 863 HB THR 114 HB THR 114 -15.314 -11.085 -5.847 864 HG1 THR 114 1HG THR 114 -17.014 -10.864 -4.448 865 HG21 THR 114 1HG2 THR 114 -16.003 -11.260 -8.261 866 HG22 THR 114 2HG2 THR 114 -17.682 -11.540 -7.739 867 HG23 THR 114 3HG2 THR 114 -16.898 -9.976 -7.412 868 H ARG 115 H ARG 115 -13.755 -14.301 -6.251 869 HA ARG 115 HA ARG 115 -12.581 -15.325 -7.758 870 HB2 ARG 115 1HB ARG 115 -14.869 -15.022 -9.763 871 HB3 ARG 115 2HB ARG 115 -13.553 -16.176 -9.847 872 HG2 ARG 115 1HG ARG 115 -14.739 -17.651 -8.604 873 HG3 ARG 115 2HG ARG 115 -14.803 -16.508 -7.278 874 HD2 ARG 115 1HD ARG 115 -17.004 -16.094 -7.663 875 HD3 ARG 115 2HD ARG 115 -16.681 -15.667 -9.332 876 HE ARG 115 HE ARG 115 -17.634 -18.252 -8.345 877 HH11 ARG 115 2HH2 ARG 115 -15.962 -16.624 -10.979 878 HH12 ARG 115 1HH2 ARG 115 -16.343 -17.847 -12.146 879 HH21 ARG 115 2HH1 ARG 115 -18.137 -19.865 -9.884 880 HH22 ARG 115 1HH1 ARG 115 -17.589 -19.702 -11.519 881 H ARG 116 H ARG 116 -11.978 -12.724 -7.389 882 HA ARG 116 HA ARG 116 -10.984 -11.981 -9.923 883 HB2 ARG 116 1HB ARG 116 -12.009 -9.642 -9.863 884 HB3 ARG 116 2HB ARG 116 -13.144 -10.924 -10.237 885 HG2 ARG 116 1HG ARG 116 -14.360 -9.809 -8.601 886 HG3 ARG 116 2HG ARG 116 -13.506 -10.956 -7.588 887 HD2 ARG 116 1HD ARG 116 -11.756 -8.706 -7.927 888 HD3 ARG 116 2HD ARG 116 -13.344 -8.055 -7.572 889 HE ARG 116 HE ARG 116 -11.659 -9.636 -5.766 890 HH11 ARG 116 2HH2 ARG 116 -14.935 -8.554 -6.453 891 HH12 ARG 116 1HH2 ARG 116 -15.484 -8.764 -4.824 892 HH21 ARG 116 2HH1 ARG 116 -12.381 -9.914 -3.616 893 HH22 ARG 116 1HH1 ARG 116 -14.021 -9.543 -3.199 894 H TRP 117 H TRP 117 -10.093 -9.407 -9.476 895 HA TRP 117 HA TRP 117 -8.692 -9.648 -6.900 896 HB2 TRP 117 1HB TRP 117 -7.723 -8.426 -9.490 897 HB3 TRP 117 2HB TRP 117 -6.853 -8.412 -7.969 898 HD1 TRP 117 HD TRP 117 -8.613 -11.474 -9.649 899 HE1 TRP 117 1HE TRP 117 -6.900 -13.454 -9.981 900 HE3 TRP 117 3HE TRP 117 -4.551 -8.945 -7.929 901 HZ2 TRP 117 2HZ TRP 117 -4.102 -13.734 -9.498 902 HZ3 TRP 117 3HZ TRP 117 -2.366 -10.145 -7.893 903 HH2 TRP 117 HH TRP 117 -2.103 -12.457 -8.641 904 H ILE 118 H ILE 118 -8.456 -7.690 -5.664 905 HA ILE 118 HA ILE 118 -10.368 -5.621 -6.482 906 HB ILE 118 HB ILE 118 -9.400 -6.502 -3.764 907 HG12 ILE 118 1HG1 ILE 118 -11.096 -7.942 -4.861 908 HG13 ILE 118 2HG1 ILE 118 -11.667 -7.193 -3.383 909 HG21 ILE 118 1HG2 ILE 118 -9.662 -3.992 -4.032 910 HG22 ILE 118 2HG2 ILE 118 -11.394 -4.297 -4.304 911 HG23 ILE 118 3HG2 ILE 118 -10.641 -4.762 -2.760 912 HD11 ILE 118 1HD1 ILE 118 -13.325 -6.094 -4.475 913 HD12 ILE 118 2HD1 ILE 118 -12.194 -5.477 -5.703 914 HD13 ILE 118 3HD1 ILE 118 -12.923 -7.090 -5.894 915 H CYS 119 H CYS 119 -9.734 -3.463 -6.591 916 HA CYS 119 HA CYS 119 -6.839 -3.099 -6.462 917 HB2 CYS 119 1HB CYS 119 -8.337 -2.632 -8.592 918 HB3 CYS 119 2HB CYS 119 -8.678 -1.120 -7.774 919 HG CYS 119 HG CYS 119 -6.265 -0.316 -7.460 920 H HIS 120 H HIS 120 -6.333 -2.412 -4.386 921 HA HIS 120 HA HIS 120 -8.190 -0.686 -3.010 922 HB2 HIS 120 1HB HIS 120 -5.655 -2.129 -2.252 923 HB3 HIS 120 2HB HIS 120 -6.316 -0.879 -1.217 924 HD1 HIS 120 1HD HIS 120 -8.100 -1.591 0.406 925 HD2 HIS 120 2HD HIS 120 -7.596 -4.339 -2.724 926 HE1 HIS 120 1HE HIS 120 -9.573 -3.597 0.971 927 H CYS 121 H CYS 121 -8.069 1.507 -2.963 928 HA CYS 121 HA CYS 121 -5.604 2.671 -4.031 929 HB2 CYS 121 1HB CYS 121 -8.262 4.100 -3.930 930 HB3 CYS 121 2HB CYS 121 -6.856 4.466 -4.911 931 HG CYS 121 HG CYS 121 -6.956 1.924 -6.037 932 H PHE 122 H PHE 122 -4.852 4.685 -2.953 933 HA PHE 122 HA PHE 122 -6.050 5.255 -0.380 934 HB2 PHE 122 1HB PHE 122 -3.106 4.464 -0.806 935 HB3 PHE 122 2HB PHE 122 -3.811 4.925 0.730 936 HD1 PHE 122 1HD PHE 122 -5.512 3.417 1.796 937 HD2 PHE 122 2HD PHE 122 -3.268 2.239 -1.608 938 HE1 PHE 122 1HE PHE 122 -6.069 1.014 2.260 939 HE2 PHE 122 2HE PHE 122 -3.826 -0.164 -1.144 940 HZ PHE 122 HZ PHE 122 -5.220 -0.747 0.785 941 H MET 123 H MET 123 -5.991 7.429 0.014 942 HA MET 123 HA MET 123 -4.329 8.978 -1.792 943 HB2 MET 123 1HB MET 123 -6.973 9.285 -0.473 944 HB3 MET 123 2HB MET 123 -5.994 10.732 -0.334 945 HG2 MET 123 1HG MET 123 -6.208 9.363 -3.028 946 HG3 MET 123 2HG MET 123 -7.544 10.351 -2.470 947 HE1 MET 123 1HE MET 123 -5.579 12.312 -5.136 948 HE2 MET 123 2HE MET 123 -4.438 10.983 -4.820 949 HE3 MET 123 3HE MET 123 -6.185 10.653 -4.917 950 H ALA 124 H ALA 124 -2.284 9.057 -0.822 951 HA ALA 124 HA ALA 124 -1.607 9.067 1.766 952 HB1 ALA 124 1HB ALA 124 0.439 9.606 0.954 953 HB2 ALA 124 2HB ALA 124 -0.351 9.559 -0.640 954 HB3 ALA 124 3HB ALA 124 -0.151 11.111 0.208 955 H VAL 125 H VAL 125 -1.372 10.571 3.481 956 HA VAL 125 HA VAL 125 -3.328 12.661 3.424 957 HB VAL 125 HB VAL 125 -1.387 11.606 5.476 958 HG11 VAL 125 1HG1 VAL 125 -3.206 13.180 6.856 959 HG12 VAL 125 2HG1 VAL 125 -1.508 13.589 6.514 960 HG13 VAL 125 3HG1 VAL 125 -2.798 14.171 5.434 961 HG21 VAL 125 1HG2 VAL 125 -3.079 10.323 6.229 962 HG22 VAL 125 2HG2 VAL 125 -4.288 11.611 6.006 963 HG23 VAL 125 3HG2 VAL 125 -3.792 10.606 4.623 964 H LYS 126 H LYS 126 0.190 12.684 4.347 965 HA LYS 126 HA LYS 126 0.383 15.232 2.903 966 HB2 LYS 126 1HB LYS 126 1.861 16.066 4.683 967 HB3 LYS 126 2HB LYS 126 0.240 15.743 5.263 968 HG2 LYS 126 1HG LYS 126 1.166 13.381 5.929 969 HG3 LYS 126 2HG LYS 126 2.753 14.092 5.713 970 HD2 LYS 126 1HD LYS 126 0.852 15.716 7.350 971 HD3 LYS 126 2HD LYS 126 1.327 14.187 8.064 972 HE2 LYS 126 1HE LYS 126 3.676 15.480 6.933 973 HE3 LYS 126 2HE LYS 126 2.838 16.618 7.969 974 HZ1 LYS 126 1HZ LYS 126 4.005 15.519 9.514 975 HZ2 LYS 126 2HZ LYS 126 2.746 14.480 9.479 976 HZ3 LYS 126 3HZ LYS 126 4.115 14.131 8.661 977 H ASP 127 H ASP 127 0.885 12.625 1.819 978 HA ASP 127 HA ASP 127 3.756 12.906 1.475 979 HB2 ASP 127 1HB ASP 127 2.203 10.295 1.802 980 HB3 ASP 127 2HB ASP 127 3.874 10.376 1.280 981 H THR 128 H THR 128 4.319 11.282 -0.581 982 HA THR 128 HA THR 128 2.256 11.866 -2.601 983 HB THR 128 HB THR 128 4.430 13.112 -2.819 984 HG1 THR 128 1HG THR 128 4.796 12.116 -5.043 985 HG21 THR 128 1HG2 THR 128 5.864 11.191 -1.838 986 HG22 THR 128 2HG2 THR 128 5.640 10.367 -3.400 987 HG23 THR 128 3HG2 THR 128 6.482 11.933 -3.334 988 H GLY 129 H GLY 129 1.648 10.297 -4.100 989 HA2 GLY 129 1HA GLY 129 1.310 7.742 -3.272 990 HA3 GLY 129 2HA GLY 129 1.397 8.222 -4.955 991 H GLU 130 H GLU 130 4.278 9.212 -4.561 992 HA GLU 130 HA GLU 130 5.510 6.887 -5.411 993 HB2 GLU 130 1HB GLU 130 6.152 9.634 -5.200 994 HB3 GLU 130 2HB GLU 130 7.390 8.817 -4.267 995 HG2 GLU 130 1HG GLU 130 8.226 8.879 -6.512 996 HG3 GLU 130 2HG GLU 130 7.699 7.227 -6.260 997 H ARG 131 H ARG 131 6.158 8.737 -2.337 998 HA ARG 131 HA ARG 131 7.762 7.021 -1.126 999 HB2 ARG 131 1HB ARG 131 5.922 9.108 -0.297 1000 HB3 ARG 131 2HB ARG 131 5.864 7.820 0.890 1001 HG2 ARG 131 1HG ARG 131 8.022 8.188 1.601 1002 HG3 ARG 131 2HG ARG 131 8.614 8.509 -0.017 1003 HD2 ARG 131 1HD ARG 131 6.761 10.545 1.218 1004 HD3 ARG 131 2HD ARG 131 8.401 10.463 1.831 1005 HE ARG 131 HE ARG 131 8.728 10.476 -0.934 1006 HH11 ARG 131 2HH2 ARG 131 7.119 12.583 1.380 1007 HH12 ARG 131 1HH2 ARG 131 7.349 14.014 0.430 1008 HH21 ARG 131 2HH1 ARG 131 9.031 12.363 -2.187 1009 HH22 ARG 131 1HH1 ARG 131 8.444 13.887 -1.612 1010 H LEU 132 H LEU 132 4.220 6.694 -1.551 1011 HA LEU 132 HA LEU 132 3.884 4.553 0.248 1012 HB2 LEU 132 1HB LEU 132 2.291 5.655 -2.052 1013 HB3 LEU 132 2HB LEU 132 1.784 4.210 -1.200 1014 HG LEU 132 HG LEU 132 2.214 5.935 0.888 1015 HD11 LEU 132 1HD1 LEU 132 2.097 8.078 0.327 1016 HD12 LEU 132 2HD1 LEU 132 2.203 7.594 -1.383 1017 HD13 LEU 132 3HD1 LEU 132 0.611 7.803 -0.615 1018 HD21 LEU 132 1HD2 LEU 132 -0.001 5.651 1.301 1019 HD22 LEU 132 2HD2 LEU 132 -0.481 6.011 -0.375 1020 HD23 LEU 132 3HD2 LEU 132 0.193 4.415 0.035 1021 H SER 133 H SER 133 4.305 4.695 -3.355 1022 HA SER 133 HA SER 133 4.178 2.022 -3.814 1023 HB2 SER 133 1HB SER 133 4.708 2.649 -5.930 1024 HB3 SER 133 2HB SER 133 4.729 4.286 -5.307 1025 HG SER 133 HG SER 133 6.739 4.196 -6.124 1026 H HIS 134 H HIS 134 6.643 3.878 -2.156 1027 HA HIS 134 HA HIS 134 8.764 2.046 -2.606 1028 HB2 HIS 134 1HB HIS 134 9.001 4.488 -2.059 1029 HB3 HIS 134 2HB HIS 134 8.476 4.131 -0.426 1030 HD1 HIS 134 1HD HIS 134 10.419 4.016 1.122 1031 HD2 HIS 134 2HD HIS 134 11.358 2.508 -2.678 1032 HE1 HIS 134 1HE HIS 134 12.855 3.267 1.233 1033 H ALA 135 H ALA 135 6.959 2.900 0.439 1034 HA ALA 135 HA ALA 135 7.813 0.887 2.011 1035 HB1 ALA 135 1HB ALA 135 6.419 2.470 3.014 1036 HB2 ALA 135 2HB ALA 135 5.180 2.337 1.743 1037 HB3 ALA 135 3HB ALA 135 5.361 1.040 2.949 1038 H VAL 136 H VAL 136 4.836 0.716 -0.079 1039 HA VAL 136 HA VAL 136 4.348 -1.970 0.372 1040 HB VAL 136 HB VAL 136 2.811 -0.296 -0.617 1041 HG11 VAL 136 1HG1 VAL 136 4.898 0.079 -2.472 1042 HG12 VAL 136 2HG1 VAL 136 3.565 -0.666 -3.387 1043 HG13 VAL 136 3HG1 VAL 136 3.289 0.839 -2.478 1044 HG21 VAL 136 1HG2 VAL 136 2.200 -2.012 -2.644 1045 HG22 VAL 136 2HG2 VAL 136 3.255 -3.037 -1.641 1046 HG23 VAL 136 3HG2 VAL 136 1.801 -2.293 -0.932 1047 H GLY 137 H GLY 137 6.656 -0.318 -1.773 1048 HA2 GLY 137 1HA GLY 137 7.265 -2.709 -3.277 1049 HA3 GLY 137 2HA GLY 137 8.045 -1.144 -3.383 1050 H CYS 138 H CYS 138 7.979 -1.601 -0.126 1051 HA CYS 138 HA CYS 138 10.706 -2.517 -0.129 1052 HB2 CYS 138 1HB CYS 138 8.931 -1.537 2.132 1053 HB3 CYS 138 2HB CYS 138 10.628 -1.945 2.293 1054 HG CYS 138 HG CYS 138 10.659 0.576 2.191 1055 H ALA 139 H ALA 139 7.643 -3.347 1.674 1056 HA ALA 139 HA ALA 139 8.493 -5.687 2.799 1057 HB1 ALA 139 1HB ALA 139 5.917 -6.257 2.462 1058 HB2 ALA 139 2HB ALA 139 6.431 -4.948 3.553 1059 HB3 ALA 139 3HB ALA 139 5.848 -4.565 1.916 1060 H PHE 140 H PHE 140 7.258 -5.069 -0.525 1061 HA PHE 140 HA PHE 140 6.970 -7.697 -1.321 1062 HB2 PHE 140 1HB PHE 140 6.765 -5.114 -2.371 1063 HB3 PHE 140 2HB PHE 140 8.167 -5.710 -3.238 1064 HD1 PHE 140 1HD PHE 140 4.623 -6.528 -2.476 1065 HD2 PHE 140 2HD PHE 140 7.901 -7.080 -5.113 1066 HE1 PHE 140 1HE PHE 140 3.117 -7.709 -4.100 1067 HE2 PHE 140 2HE PHE 140 6.395 -8.261 -6.738 1068 HZ PHE 140 HZ PHE 140 4.021 -8.562 -6.211 1069 H ALA 141 H ALA 141 9.850 -5.503 -1.662 1070 HA ALA 141 HA ALA 141 11.484 -7.401 -2.882 1071 HB1 ALA 141 1HB ALA 141 11.971 -5.019 -2.923 1072 HB2 ALA 141 2HB ALA 141 12.119 -4.980 -1.149 1073 HB3 ALA 141 3HB ALA 141 13.317 -5.866 -2.123 1074 H ALA 142 H ALA 142 10.685 -6.728 0.542 1075 HA ALA 142 HA ALA 142 12.739 -8.371 1.597 1076 HB1 ALA 142 1HB ALA 142 11.382 -6.454 2.697 1077 HB2 ALA 142 2HB ALA 142 10.125 -7.686 2.963 1078 HB3 ALA 142 3HB ALA 142 11.740 -7.893 3.682 1079 H CYS 143 H CYS 143 9.157 -8.825 1.161 1080 HA CYS 143 HA CYS 143 9.091 -11.434 2.041 1081 HB2 CYS 143 1HB CYS 143 7.104 -9.984 1.658 1082 HB3 CYS 143 2HB CYS 143 7.317 -10.165 -0.072 1083 HG CYS 143 HG CYS 143 7.459 -12.933 0.226 1084 H LEU 144 H LEU 144 9.655 -10.017 -1.243 1085 HA LEU 144 HA LEU 144 9.842 -12.513 -2.543 1086 HB2 LEU 144 1HB LEU 144 10.598 -9.689 -3.228 1087 HB3 LEU 144 2HB LEU 144 11.045 -11.016 -4.282 1088 HG LEU 144 HG LEU 144 8.282 -10.036 -3.571 1089 HD11 LEU 144 1HD1 LEU 144 9.909 -10.264 -6.095 1090 HD12 LEU 144 2HD1 LEU 144 8.133 -10.152 -6.144 1091 HD13 LEU 144 3HD1 LEU 144 9.087 -8.845 -5.403 1092 HD21 LEU 144 1HD2 LEU 144 7.927 -12.328 -3.353 1093 HD22 LEU 144 2HD2 LEU 144 7.512 -11.999 -5.053 1094 HD23 LEU 144 3HD2 LEU 144 9.082 -12.733 -4.646 1095 H GLU 145 H GLU 145 12.146 -10.387 -0.825 1096 HA GLU 145 HA GLU 145 14.496 -11.326 -1.716 1097 HB2 GLU 145 1HB GLU 145 13.540 -9.911 0.582 1098 HB3 GLU 145 2HB GLU 145 14.638 -11.143 1.173 1099 HG2 GLU 145 1HG GLU 145 15.986 -10.154 -1.068 1100 HG3 GLU 145 2HG GLU 145 15.216 -8.718 -0.425 1101 H ARG 146 H ARG 146 12.098 -13.011 0.279 1102 HA ARG 146 HA ARG 146 13.873 -14.998 1.170 1103 HB2 ARG 146 1HB ARG 146 10.858 -14.669 1.087 1104 HB3 ARG 146 2HB ARG 146 11.529 -16.232 1.508 1105 HG2 ARG 146 1HG ARG 146 11.613 -15.407 3.636 1106 HG3 ARG 146 2HG ARG 146 13.061 -14.578 3.098 1107 HD2 ARG 146 1HD ARG 146 11.883 -12.526 2.698 1108 HD3 ARG 146 2HD ARG 146 10.320 -13.318 2.706 1109 HE ARG 146 HE ARG 146 11.727 -12.329 5.014 1110 HH11 ARG 146 2HH2 ARG 146 9.690 -15.007 3.985 1111 HH12 ARG 146 1HH2 ARG 146 9.067 -15.311 5.572 1112 HH21 ARG 146 2HH1 ARG 146 10.906 -12.730 7.109 1113 HH22 ARG 146 1HH1 ARG 146 9.763 -14.006 7.361 1114 H LYS 147 H LYS 147 11.705 -14.548 -1.646 1115 HA LYS 147 HA LYS 147 12.148 -17.265 -2.537 1116 HB2 LYS 147 1HB LYS 147 10.708 -15.096 -4.060 1117 HB3 LYS 147 2HB LYS 147 10.506 -16.833 -4.171 1118 HG2 LYS 147 1HG LYS 147 9.239 -16.962 -2.212 1119 HG3 LYS 147 2HG LYS 147 10.019 -15.573 -1.482 1120 HD2 LYS 147 1HD LYS 147 7.771 -14.889 -2.042 1121 HD3 LYS 147 2HD LYS 147 8.837 -14.094 -3.183 1122 HE2 LYS 147 1HE LYS 147 8.008 -15.264 -4.978 1123 HE3 LYS 147 2HE LYS 147 7.929 -16.772 -4.089 1124 HZ1 LYS 147 1HZ LYS 147 5.754 -16.337 -4.210 1125 HZ2 LYS 147 2HZ LYS 147 6.024 -15.414 -2.890 1126 HZ3 LYS 147 3HZ LYS 147 5.933 -14.721 -4.366 1127 H GLN 148 H GLN 148 12.742 -13.909 -3.805 1128 HA GLN 148 HA GLN 148 14.859 -15.095 -5.412 1129 HB2 GLN 148 1HB GLN 148 14.695 -12.856 -6.676 1130 HB3 GLN 148 2HB GLN 148 13.348 -13.963 -6.852 1131 HG2 GLN 148 1HG GLN 148 11.915 -12.665 -5.522 1132 HG3 GLN 148 2HG GLN 148 13.228 -11.958 -4.602 1133 HE21 GLN 148 1HE2 GLN 148 12.621 -9.869 -4.891 1134 HE22 GLN 148 2HE2 GLN 148 12.704 -9.021 -6.400 1135 H LYS 149 H LYS 149 16.601 -13.107 -5.909 1136 HA LYS 149 HA LYS 149 17.356 -12.131 -3.241 1137 HB2 LYS 149 1HB LYS 149 19.088 -13.283 -5.442 1138 HB3 LYS 149 2HB LYS 149 19.733 -12.372 -4.091 1139 HG2 LYS 149 1HG LYS 149 18.006 -14.220 -2.863 1140 HG3 LYS 149 2HG LYS 149 18.726 -15.143 -4.167 1141 HD2 LYS 149 1HD LYS 149 20.256 -15.444 -2.384 1142 HD3 LYS 149 2HD LYS 149 21.011 -14.194 -3.353 1143 HE2 LYS 149 1HE LYS 149 20.172 -12.437 -1.851 1144 HE3 LYS 149 2HE LYS 149 19.221 -13.601 -0.950 1145 HZ1 LYS 149 1HZ LYS 149 21.137 -14.575 -0.107 1146 HZ2 LYS 149 2HZ LYS 149 22.125 -13.874 -1.202 1147 HZ3 LYS 149 3HZ LYS 149 21.447 -12.974 -0.019 1148 H ARG 150 H ARG 150 17.581 -9.960 -3.047 1149 HA ARG 150 HA ARG 150 17.230 -8.448 -5.462 1150 HB2 ARG 150 1HB ARG 150 16.614 -8.099 -2.642 1151 HB3 ARG 150 2HB ARG 150 17.567 -6.730 -3.178 1152 HG2 ARG 150 1HG ARG 150 15.174 -7.726 -4.776 1153 HG3 ARG 150 2HG ARG 150 14.984 -6.584 -3.460 1154 HD2 ARG 150 1HD ARG 150 16.891 -5.225 -4.712 1155 HD3 ARG 150 2HD ARG 150 16.438 -6.202 -6.095 1156 HE ARG 150 HE ARG 150 13.995 -5.310 -5.252 1157 HH11 ARG 150 2HH2 ARG 150 17.030 -3.622 -5.822 1158 HH12 ARG 150 1HH2 ARG 150 16.265 -2.128 -6.253 1159 HH21 ARG 150 2HH1 ARG 150 12.986 -3.340 -5.820 1160 HH22 ARG 150 1HH1 ARG 150 13.950 -1.967 -6.252 1161 H SER 151 H SER 151 18.617 -6.391 -5.754 1162 HA SER 151 HA SER 151 21.230 -6.636 -4.556 1163 HB2 SER 151 1HB SER 151 22.345 -6.423 -6.799 1164 HB3 SER 151 2HB SER 151 21.517 -7.952 -6.573 1165 HG SER 151 HG SER 151 19.849 -6.006 -7.670 1166 H GLY 152 H GLY 152 22.370 -4.609 -4.491 1167 HA2 GLY 152 1HA GLY 152 22.627 -2.370 -5.301 1168 HA3 GLY 152 2HA GLY 152 20.905 -2.305 -5.619 1169 HA PRO 153 HA PRO 153 21.631 -1.937 -0.926 1170 HB2 PRO 153 1HB PRO 153 24.143 -1.282 -0.072 1171 HB3 PRO 153 2HB PRO 153 23.530 -2.924 -0.078 1172 HG2 PRO 153 1HG PRO 153 25.466 -1.661 -1.920 1173 HG3 PRO 153 2HG PRO 153 25.167 -3.365 -1.642 1174 HD2 PRO 153 1HD PRO 153 24.284 -1.812 -3.886 1175 HD3 PRO 153 2HD PRO 153 23.888 -3.485 -3.548 1176 H SER 154 H SER 154 22.149 -0.044 0.684 1177 HA SER 154 HA SER 154 22.734 2.364 -0.684 1178 HB2 SER 154 1HB SER 154 20.006 1.505 -0.677 1179 HB3 SER 154 2HB SER 154 20.113 2.819 0.478 1180 HG SER 154 HG SER 154 20.792 4.231 -1.106 1181 H SER 155 H SER 155 24.342 2.213 1.088 1182 HA SER 155 HA SER 155 23.931 1.857 3.675 1183 HB2 SER 155 1HB SER 155 25.973 2.908 2.125 1184 HB3 SER 155 2HB SER 155 25.577 4.272 3.152 1185 HG SER 155 HG SER 155 27.225 2.731 4.009 1186 H GLY 156 H GLY 156 23.644 5.098 2.033 1187 HA2 GLY 156 1HA GLY 156 22.327 6.867 2.483 1188 HA3 GLY 156 2HA GLY 156 21.315 5.826 3.464
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