NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8370 | 1m3v | 5309 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -14.805 4.097 -6.443 2 2H GLY 1 2H GLY 1 -15.998 4.211 -5.250 3 3H GLY 1 3H GLY 1 -14.360 4.342 -4.825 4 1HA GLY 1 2HA GLY 1 -16.059 6.412 -5.338 5 2HA GLY 1 1HA GLY 1 -14.307 6.501 -5.239 6 H SER 2 H SER 2 -13.296 7.288 -6.935 7 HA SER 2 HA SER 2 -14.602 7.976 -9.352 8 1HB SER 2 2HB SER 2 -11.641 7.643 -9.301 9 2HB SER 2 1HB SER 2 -12.612 8.976 -9.928 10 HG SER 2 HG SER 2 -13.095 9.446 -7.647 11 H LEU 3 H LEU 3 -12.820 5.200 -8.246 12 HA LEU 3 HA LEU 3 -13.680 3.781 -10.657 13 1HB LEU 3 2HB LEU 3 -11.473 2.358 -10.071 14 2HB LEU 3 1HB LEU 3 -11.512 3.639 -11.267 15 HG LEU 3 HG LEU 3 -10.950 4.781 -8.705 16 1HD1 LEU 3 1HD1 LEU 3 -10.151 2.566 -8.082 17 2HD1 LEU 3 2HD1 LEU 3 -9.130 2.523 -9.519 18 3HD1 LEU 3 3HD1 LEU 3 -8.811 3.701 -8.247 19 1HD2 LEU 3 1HD2 LEU 3 -8.715 5.171 -10.046 20 2HD2 LEU 3 2HD2 LEU 3 -9.697 4.599 -11.396 21 3HD2 LEU 3 3HD2 LEU 3 -10.203 6.018 -10.476 22 H SER 4 H SER 4 -12.864 1.242 -9.899 23 HA SER 4 HA SER 4 -14.751 0.649 -7.806 24 1HB SER 4 2HB SER 4 -12.874 -1.407 -8.898 25 2HB SER 4 1HB SER 4 -14.582 -1.555 -8.482 26 HG SER 4 HG SER 4 -14.880 -0.034 -10.347 27 H TRP 5 H TRP 5 -14.221 -0.553 -5.882 28 HA TRP 5 HA TRP 5 -12.028 0.562 -4.497 29 1HB TRP 5 2HB TRP 5 -14.247 -1.240 -3.883 30 2HB TRP 5 1HB TRP 5 -12.779 -1.619 -2.985 31 HD1 TRP 5 HD TRP 5 -13.123 2.010 -3.773 32 HE1 TRP 5 1HE TRP 5 -13.810 3.315 -1.664 33 HE3 TRP 5 3HE TRP 5 -14.291 -1.936 -0.748 34 HZ2 TRP 5 2HZ TRP 5 -14.726 2.731 0.941 35 HZ3 TRP 5 3HZ TRP 5 -15.062 -1.476 1.541 36 HH2 TRP 5 HH TRP 5 -15.273 0.804 2.365 37 H LYS 6 H LYS 6 -10.131 -0.311 -3.805 38 HA LYS 6 HA LYS 6 -9.255 -2.708 -5.253 39 1HB LYS 6 2HB LYS 6 -7.058 -1.074 -4.379 40 2HB LYS 6 1HB LYS 6 -7.500 -1.552 -6.011 41 1HG LYS 6 2HG LYS 6 -9.323 0.381 -5.555 42 2HG LYS 6 1HG LYS 6 -7.973 0.968 -4.583 43 1HD LYS 6 2HD LYS 6 -6.843 0.127 -6.998 44 2HD LYS 6 1HD LYS 6 -8.323 0.983 -7.440 45 1HE LYS 6 2HE LYS 6 -7.624 2.917 -6.159 46 2HE LYS 6 1HE LYS 6 -6.192 2.059 -5.596 47 1HZ LYS 6 1HZ LYS 6 -6.504 3.582 -7.926 48 2HZ LYS 6 2HZ LYS 6 -6.218 1.976 -8.396 49 3HZ LYS 6 3HZ LYS 6 -5.117 2.774 -7.377 50 H ARG 7 H ARG 7 -10.197 -1.778 -2.380 51 HA ARG 7 HA ARG 7 -10.108 -2.592 -0.275 52 1HB ARG 7 2HB ARG 7 -9.980 -4.852 -0.112 53 2HB ARG 7 1HB ARG 7 -10.032 -4.725 -1.864 54 1HG ARG 7 2HG ARG 7 -7.875 -5.386 -2.115 55 2HG ARG 7 1HG ARG 7 -7.360 -4.671 -0.587 56 1HD ARG 7 2HD ARG 7 -9.245 -6.838 -0.221 57 2HD ARG 7 1HD ARG 7 -7.799 -7.338 -1.097 58 HE ARG 7 HE ARG 7 -7.442 -5.822 1.379 59 1HH1 ARG 7 2HH1 ARG 7 -7.408 -8.939 -0.242 60 2HH1 ARG 7 1HH1 ARG 7 -6.347 -9.680 0.918 61 1HH2 ARG 7 2HH2 ARG 7 -6.027 -6.782 2.885 62 2HH2 ARG 7 1HH2 ARG 7 -5.526 -8.437 2.686 63 H CYS 8 H CYS 8 -8.845 -2.935 1.622 64 HA CYS 8 HA CYS 8 -6.207 -1.743 1.512 65 1HB CYS 8 2HB CYS 8 -7.775 -1.281 3.423 66 2HB CYS 8 1HB CYS 8 -7.590 -2.965 3.915 67 H ALA 9 H ALA 9 -4.480 -2.881 1.076 68 HA ALA 9 HA ALA 9 -4.503 -5.779 1.288 69 1HB ALA 9 1HB ALA 9 -2.179 -4.032 0.513 70 2HB ALA 9 2HB ALA 9 -2.426 -5.740 0.151 71 3HB ALA 9 3HB ALA 9 -3.441 -4.520 -0.618 72 H GLY 10 H GLY 10 -4.144 -3.357 3.424 73 1HA GLY 10 1HA GLY 10 -1.863 -4.396 4.885 74 2HA GLY 10 2HA GLY 10 -2.875 -3.035 5.348 75 H CYS 11 H CYS 11 -5.389 -4.167 5.409 76 HA CYS 11 HA CYS 11 -5.032 -6.182 7.517 77 1HB CYS 11 2HB CYS 11 -7.110 -5.253 8.552 78 2HB CYS 11 1HB CYS 11 -5.753 -4.138 8.528 79 H GLY 12 H GLY 12 -8.244 -5.669 7.129 80 1HA GLY 12 1HA GLY 12 -8.622 -8.306 6.124 81 2HA GLY 12 2HA GLY 12 -9.886 -7.166 6.553 82 H GLY 13 H GLY 13 -9.980 -5.241 4.891 83 1HA GLY 13 1HA GLY 13 -9.262 -5.562 2.231 84 2HA GLY 13 2HA GLY 13 -10.768 -6.441 2.438 85 H LYS 14 H LYS 14 -12.602 -5.204 3.365 86 HA LYS 14 HA LYS 14 -12.975 -2.835 1.865 87 1HB LYS 14 2HB LYS 14 -14.566 -4.431 3.781 88 2HB LYS 14 1HB LYS 14 -15.019 -2.738 3.640 89 1HG LYS 14 2HG LYS 14 -16.367 -3.683 2.056 90 2HG LYS 14 1HG LYS 14 -14.968 -3.242 1.075 91 1HD LYS 14 2HD LYS 14 -14.113 -5.596 1.522 92 2HD LYS 14 1HD LYS 14 -15.730 -5.951 2.132 93 1HE LYS 14 2HE LYS 14 -15.259 -4.772 -0.589 94 2HE LYS 14 1HE LYS 14 -15.265 -6.512 -0.304 95 1HZ LYS 14 1HZ LYS 14 -17.428 -5.849 -1.004 96 2HZ LYS 14 2HZ LYS 14 -17.505 -4.618 0.157 97 3HZ LYS 14 3HZ LYS 14 -17.525 -6.242 0.643 98 H ILE 15 H ILE 15 -12.544 -0.787 2.325 99 HA ILE 15 HA ILE 15 -11.589 -0.132 5.014 100 HB ILE 15 HB ILE 15 -11.329 1.532 2.506 101 1HG1 ILE 15 2HG1 ILE 15 -9.538 -0.585 3.689 102 1HG2 ILE 15 1HG2 ILE 15 -9.674 1.730 5.003 103 2HG2 ILE 15 2HG2 ILE 15 -9.864 2.911 3.710 104 3HG2 ILE 15 3HG2 ILE 15 -11.194 2.603 4.826 105 1HD1 ILE 15 1HD1 ILE 15 -8.678 1.921 2.431 106 2HD1 ILE 15 2HD1 ILE 15 -7.788 0.790 3.453 107 3HD1 ILE 15 3HD1 ILE 15 -7.999 0.450 1.733 108 H ALA 16 H ALA 16 -13.474 0.249 6.139 109 HA ALA 16 HA ALA 16 -15.341 2.242 5.061 110 1HB ALA 16 1HB ALA 16 -16.831 0.852 5.975 111 2HB ALA 16 2HB ALA 16 -15.578 -0.024 6.852 112 3HB ALA 16 3HB ALA 16 -16.284 1.435 7.547 113 H ASP 17 H ASP 17 -12.613 2.792 6.023 114 HA ASP 17 HA ASP 17 -13.116 4.369 8.439 115 1HB ASP 17 2HB ASP 17 -10.731 3.083 7.244 116 2HB ASP 17 1HB ASP 17 -10.459 4.631 8.042 117 H ARG 18 H ARG 18 -11.858 6.469 8.512 118 HA ARG 18 HA ARG 18 -12.497 8.017 6.126 119 1HB ARG 18 2HB ARG 18 -13.062 8.760 8.494 120 2HB ARG 18 1HB ARG 18 -11.340 9.013 8.731 121 1HG ARG 18 2HG ARG 18 -11.567 10.501 6.581 122 2HG ARG 18 1HG ARG 18 -13.269 10.539 7.055 123 1HD ARG 18 2HD ARG 18 -12.813 12.092 8.568 124 2HD ARG 18 1HD ARG 18 -11.704 10.986 9.379 125 HE ARG 18 HE ARG 18 -10.153 11.898 7.425 126 1HH1 ARG 18 2HH1 ARG 18 -12.306 13.636 9.583 127 2HH1 ARG 18 1HH1 ARG 18 -11.374 15.106 9.527 128 1HH2 ARG 18 2HH2 ARG 18 -8.934 13.797 7.347 129 2HH2 ARG 18 1HH2 ARG 18 -9.441 15.198 8.252 130 H PHE 19 H PHE 19 -9.797 6.771 7.917 131 HA PHE 19 HA PHE 19 -7.891 8.345 6.378 132 1HB PHE 19 2HB PHE 19 -7.668 6.542 8.776 133 2HB PHE 19 1HB PHE 19 -6.235 7.040 7.883 134 HD1 PHE 19 1HD PHE 19 -5.637 7.971 10.206 135 HD2 PHE 19 2HD PHE 19 -8.785 9.497 7.785 136 HE1 PHE 19 1HE PHE 19 -5.580 10.088 11.462 137 HE2 PHE 19 2HE PHE 19 -8.742 11.603 9.031 138 HZ PHE 19 HZ PHE 19 -7.130 11.911 10.873 139 H LEU 20 H LEU 20 -7.939 7.522 4.331 140 HA LEU 20 HA LEU 20 -7.066 4.729 4.048 141 1HB LEU 20 2HB LEU 20 -8.799 4.365 2.709 142 2HB LEU 20 1HB LEU 20 -9.339 6.012 2.953 143 HG LEU 20 HG LEU 20 -7.200 5.799 0.971 144 1HD1 LEU 20 1HD1 LEU 20 -8.615 3.632 0.762 145 2HD1 LEU 20 2HD1 LEU 20 -9.837 4.710 0.083 146 3HD1 LEU 20 3HD1 LEU 20 -8.250 4.579 -0.682 147 1HD2 LEU 20 1HD2 LEU 20 -8.153 7.715 0.409 148 2HD2 LEU 20 2HD2 LEU 20 -9.625 6.857 -0.044 149 3HD2 LEU 20 3HD2 LEU 20 -9.420 7.444 1.606 150 H LEU 21 H LEU 21 -5.643 4.259 2.357 151 HA LEU 21 HA LEU 21 -4.280 6.511 1.057 152 1HB LEU 21 2HB LEU 21 -3.215 5.242 3.246 153 2HB LEU 21 1HB LEU 21 -2.547 4.295 1.932 154 HG LEU 21 HG LEU 21 -2.306 7.280 1.885 155 1HD1 LEU 21 1HD1 LEU 21 0.061 6.099 2.924 156 2HD1 LEU 21 2HD1 LEU 21 -0.956 7.358 3.628 157 3HD1 LEU 21 3HD1 LEU 21 -1.299 5.659 3.960 158 1HD2 LEU 21 1HD2 LEU 21 -1.411 5.104 0.287 159 2HD2 LEU 21 2HD2 LEU 21 -1.134 6.830 0.058 160 3HD2 LEU 21 3HD2 LEU 21 -0.003 5.877 1.016 161 H TYR 22 H TYR 22 -3.278 5.890 -0.936 162 HA TYR 22 HA TYR 22 -4.166 3.263 -1.959 163 1HB TYR 22 2HB TYR 22 -3.297 5.609 -3.645 164 2HB TYR 22 1HB TYR 22 -4.032 4.122 -4.197 165 HD1 TYR 22 1HD TYR 22 -5.205 6.427 -1.468 166 HD2 TYR 22 2HD TYR 22 -5.890 4.791 -5.339 167 HE1 TYR 22 1HE TYR 22 -7.383 7.562 -1.560 168 HE2 TYR 22 2HE TYR 22 -8.076 5.918 -5.431 169 HH TYR 22 HH TYR 22 -9.373 7.511 -4.472 170 H ALA 23 H ALA 23 -2.599 1.833 -2.423 171 HA ALA 23 HA ALA 23 -0.089 2.761 -3.421 172 1HB ALA 23 1HB ALA 23 1.343 1.650 -1.777 173 2HB ALA 23 2HB ALA 23 0.380 2.933 -1.039 174 3HB ALA 23 3HB ALA 23 -0.081 1.244 -0.816 175 H MET 24 H MET 24 0.904 1.279 -4.694 176 HA MET 24 HA MET 24 1.221 -0.581 -5.952 177 1HB MET 24 2HB MET 24 0.266 -1.719 -3.375 178 2HB MET 24 1HB MET 24 0.247 -2.783 -4.773 179 1HG MET 24 2HG MET 24 2.598 -2.531 -5.086 180 2HG MET 24 1HG MET 24 2.676 -1.262 -3.863 181 1HE MET 24 1HE MET 24 1.899 -5.685 -3.351 182 2HE MET 24 2HE MET 24 2.003 -4.717 -4.824 183 3HE MET 24 3HE MET 24 3.476 -5.268 -4.025 184 H ASP 25 H ASP 25 -1.323 1.000 -6.026 185 HA ASP 25 HA ASP 25 -3.220 1.033 -7.276 186 1HB ASP 25 2HB ASP 25 -1.890 -1.346 -8.352 187 2HB ASP 25 1HB ASP 25 -3.645 -1.418 -8.455 188 H SER 26 H SER 26 -2.748 -0.394 -4.594 189 HA SER 26 HA SER 26 -5.494 -1.431 -4.353 190 1HB SER 26 2HB SER 26 -3.638 -2.184 -2.205 191 2HB SER 26 1HB SER 26 -4.775 -3.190 -3.108 192 HG SER 26 HG SER 26 -2.859 -2.531 -4.788 193 H TYR 27 H TYR 27 -5.911 -1.253 -1.739 194 HA TYR 27 HA TYR 27 -5.260 1.544 -1.096 195 1HB TYR 27 2HB TYR 27 -7.689 -0.100 -0.385 196 2HB TYR 27 1HB TYR 27 -7.301 1.428 0.393 197 HD1 TYR 27 1HD TYR 27 -9.839 0.841 -1.021 198 HD2 TYR 27 2HD TYR 27 -6.180 2.521 -2.466 199 HE1 TYR 27 1HE TYR 27 -11.086 2.027 -2.773 200 HE2 TYR 27 2HE TYR 27 -7.441 3.702 -4.206 201 HH TYR 27 HH TYR 27 -10.960 3.687 -4.334 202 H TRP 28 H TRP 28 -5.039 1.970 1.195 203 HA TRP 28 HA TRP 28 -4.367 -0.296 2.897 204 1HB TRP 28 2HB TRP 28 -2.404 1.916 2.212 205 2HB TRP 28 1HB TRP 28 -2.177 0.745 3.503 206 HD1 TRP 28 HD TRP 28 -2.344 0.909 -0.349 207 HE1 TRP 28 1HE TRP 28 -1.000 -1.065 -1.303 208 HE3 TRP 28 3HE TRP 28 -1.232 -1.494 4.022 209 HZ2 TRP 28 2HZ TRP 28 0.367 -3.332 -0.324 210 HZ3 TRP 28 3HZ TRP 28 0.104 -3.557 3.927 211 HH2 TRP 28 HH TRP 28 0.887 -4.456 1.796 212 H HIS 29 H HIS 29 -3.833 0.543 5.120 213 HA HIS 29 HA HIS 29 -5.337 3.005 5.702 214 1HB HIS 29 2HB HIS 29 -4.703 0.571 7.350 215 2HB HIS 29 1HB HIS 29 -4.971 2.115 8.148 216 HD2 HIS 29 2HD HIS 29 -7.604 3.218 7.651 217 HE1 HIS 29 1HE HIS 29 -9.201 -0.629 6.880 218 HE2 HIS 29 2HE HIS 29 -9.729 1.726 7.678 219 H SER 30 H SER 30 -4.247 4.345 7.476 220 HA SER 30 HA SER 30 -1.771 5.183 6.587 221 1HB SER 30 2HB SER 30 -2.236 5.718 9.432 222 2HB SER 30 1HB SER 30 -2.050 6.838 8.081 223 HG SER 30 HG SER 30 -4.146 6.938 7.847 224 H ARG 31 H ARG 31 -2.516 3.027 9.307 225 HA ARG 31 HA ARG 31 0.354 2.543 9.672 226 1HB ARG 31 2HB ARG 31 -2.042 2.302 11.404 227 2HB ARG 31 1HB ARG 31 -0.748 1.139 11.673 228 1HG ARG 31 2HG ARG 31 0.820 3.121 11.812 229 2HG ARG 31 1HG ARG 31 -0.627 4.130 11.881 230 1HD ARG 31 2HD ARG 31 -0.068 3.785 14.118 231 2HD ARG 31 1HD ARG 31 -1.358 2.622 13.815 232 HE ARG 31 HE ARG 31 1.116 1.379 13.328 233 1HH1 ARG 31 2HH1 ARG 31 -0.723 2.694 16.017 234 2HH1 ARG 31 1HH1 ARG 31 -0.084 1.555 17.165 235 1HH2 ARG 31 2HH2 ARG 31 1.963 -0.103 14.852 236 2HH2 ARG 31 1HH2 ARG 31 1.433 -0.024 16.513 237 H CYS 32 H CYS 32 -2.090 1.273 7.885 238 HA CYS 32 HA CYS 32 -1.439 -1.535 8.229 239 1HB CYS 32 2HB CYS 32 -3.277 0.010 6.438 240 2HB CYS 32 1HB CYS 32 -2.803 -1.620 5.977 241 H LEU 33 H LEU 33 -0.891 1.065 5.903 242 HA LEU 33 HA LEU 33 0.658 -0.370 4.037 243 1HB LEU 33 2HB LEU 33 -0.323 1.853 3.609 244 2HB LEU 33 1HB LEU 33 0.771 2.560 4.778 245 HG LEU 33 HG LEU 33 2.668 2.146 3.374 246 1HD1 LEU 33 1HD1 LEU 33 0.980 0.969 1.216 247 2HD1 LEU 33 2HD1 LEU 33 2.717 0.831 1.489 248 3HD1 LEU 33 3HD1 LEU 33 1.589 -0.065 2.508 249 1HD2 LEU 33 1HD2 LEU 33 0.981 3.058 1.200 250 2HD2 LEU 33 2HD2 LEU 33 0.601 3.856 2.725 251 3HD2 LEU 33 3HD2 LEU 33 2.243 3.911 2.087 252 H LYS 34 H LYS 34 1.896 2.103 6.233 253 HA LYS 34 HA LYS 34 3.794 2.306 7.460 254 1HB LYS 34 2HB LYS 34 3.699 0.883 9.177 255 2HB LYS 34 1HB LYS 34 2.346 0.163 8.324 256 1HG LYS 34 2HG LYS 34 4.653 -1.048 7.278 257 2HG LYS 34 1HG LYS 34 4.871 -0.986 9.027 258 1HD LYS 34 2HD LYS 34 3.210 -2.460 9.416 259 2HD LYS 34 1HD LYS 34 2.197 -1.819 8.120 260 1HE LYS 34 2HE LYS 34 4.631 -3.165 7.198 261 2HE LYS 34 1HE LYS 34 3.503 -4.215 8.060 262 1HZ LYS 34 1HZ LYS 34 1.836 -3.827 6.512 263 2HZ LYS 34 2HZ LYS 34 3.223 -3.955 5.546 264 3HZ LYS 34 3HZ LYS 34 2.573 -2.430 5.901 265 H CYS 35 H CYS 35 5.911 1.586 7.961 266 HA CYS 35 HA CYS 35 7.453 1.500 5.604 267 1HB CYS 35 2HB CYS 35 7.821 1.709 8.531 268 2HB CYS 35 1HB CYS 35 9.206 1.228 7.596 269 H SER 36 H SER 36 9.647 0.095 6.045 270 HA SER 36 HA SER 36 8.775 -2.698 6.296 271 1HB SER 36 2HB SER 36 11.100 -1.398 4.909 272 2HB SER 36 1HB SER 36 11.171 -3.100 5.367 273 HG SER 36 HG SER 36 9.134 -1.908 3.772 274 H SER 37 H SER 37 11.504 -0.569 7.189 275 HA SER 37 HA SER 37 12.032 -2.336 9.454 276 1HB SER 37 2HB SER 37 13.788 -0.043 8.627 277 2HB SER 37 1HB SER 37 14.242 -1.557 9.420 278 HG SER 37 HG SER 37 13.607 -1.054 6.718 279 H CYS 38 H CYS 38 11.696 1.168 8.803 280 HA CYS 38 HA CYS 38 11.914 1.934 11.490 281 1HB CYS 38 2HB CYS 38 10.292 3.671 9.746 282 2HB CYS 38 1HB CYS 38 11.728 4.048 10.695 283 H GLN 39 H GLN 39 9.119 1.108 9.553 284 HA GLN 39 HA GLN 39 6.926 0.770 10.022 285 1HB GLN 39 2HB GLN 39 8.195 0.285 12.664 286 2HB GLN 39 1HB GLN 39 6.454 0.554 12.645 287 1HG GLN 39 2HG GLN 39 7.460 -1.353 10.651 288 2HG GLN 39 1HG GLN 39 7.637 -1.845 12.334 289 1HE2 GLN 39 1HE2 GLN 39 6.116 -3.476 11.189 290 2HE2 GLN 39 2HE2 GLN 39 4.421 -3.181 11.427 291 H ALA 40 H ALA 40 7.666 3.339 9.540 292 HA ALA 40 HA ALA 40 6.363 4.967 11.581 293 1HB ALA 40 1HB ALA 40 7.488 6.808 10.708 294 2HB ALA 40 2HB ALA 40 8.664 5.501 10.583 295 3HB ALA 40 3HB ALA 40 7.771 6.022 9.155 296 H GLN 41 H GLN 41 5.657 7.069 9.851 297 HA GLN 41 HA GLN 41 3.296 5.892 8.555 298 1HB GLN 41 2HB GLN 41 3.338 7.855 10.393 299 2HB GLN 41 1HB GLN 41 3.493 8.826 8.936 300 1HG GLN 41 2HG GLN 41 1.224 8.776 9.207 301 2HG GLN 41 1HG GLN 41 1.474 7.417 8.106 302 1HE2 GLN 41 1HE2 GLN 41 -0.327 8.292 10.566 303 2HE2 GLN 41 2HE2 GLN 41 -0.510 6.789 11.416 304 H LEU 42 H LEU 42 3.931 5.397 6.538 305 HA LEU 42 HA LEU 42 5.806 6.662 4.967 306 1HB LEU 42 2HB LEU 42 3.962 4.565 4.674 307 2HB LEU 42 1HB LEU 42 3.663 5.649 3.329 308 HG LEU 42 HG LEU 42 6.146 5.525 2.832 309 1HD1 LEU 42 1HD1 LEU 42 7.522 4.030 3.881 310 2HD1 LEU 42 2HD1 LEU 42 6.481 4.490 5.230 311 3HD1 LEU 42 3HD1 LEU 42 6.191 2.979 4.367 312 1HD2 LEU 42 1HD2 LEU 42 4.082 4.025 1.954 313 2HD2 LEU 42 2HD2 LEU 42 5.729 3.898 1.338 314 3HD2 LEU 42 3HD2 LEU 42 5.159 2.770 2.568 315 H GLY 43 H GLY 43 2.387 7.421 5.333 316 1HA GLY 43 1HA GLY 43 2.423 9.348 3.180 317 2HA GLY 43 2HA GLY 43 1.083 9.018 4.263 318 H ASP 44 H ASP 44 3.724 9.544 6.197 319 HA ASP 44 HA ASP 44 2.951 12.371 6.509 320 1HB ASP 44 2HB ASP 44 2.590 10.808 8.454 321 2HB ASP 44 1HB ASP 44 4.340 10.649 8.563 322 H ILE 45 H ILE 45 5.555 10.307 5.682 323 HA ILE 45 HA ILE 45 7.620 12.261 6.258 324 HB ILE 45 HB ILE 45 9.190 10.684 5.399 325 1HG1 ILE 45 2HG1 ILE 45 7.293 8.580 4.621 326 1HG2 ILE 45 1HG2 ILE 45 9.023 9.233 7.105 327 2HG2 ILE 45 2HG2 ILE 45 7.614 10.198 7.543 328 3HG2 ILE 45 3HG2 ILE 45 7.410 8.703 6.632 329 1HD1 ILE 45 1HD1 ILE 45 9.017 7.880 3.426 330 2HD1 ILE 45 2HD1 ILE 45 9.113 9.420 2.569 331 3HD1 ILE 45 3HD1 ILE 45 9.957 9.210 4.104 332 H GLY 46 H GLY 46 5.314 12.026 3.979 333 1HA GLY 46 1HA GLY 46 5.434 13.825 2.224 334 2HA GLY 46 2HA GLY 46 7.007 13.131 1.834 335 H THR 47 H THR 47 5.454 13.131 -0.291 336 HA THR 47 HA THR 47 3.927 10.634 -0.298 337 HB THR 47 HB THR 47 3.996 11.820 -2.882 338 HG1 THR 47 1HG THR 47 3.384 13.687 -0.798 339 1HG2 THR 47 1HG2 THR 47 1.785 12.034 -0.843 340 2HG2 THR 47 2HG2 THR 47 2.146 10.546 -1.718 341 3HG2 THR 47 3HG2 THR 47 1.641 11.988 -2.599 342 H SER 48 H SER 48 5.390 8.999 -0.339 343 HA SER 48 HA SER 48 6.623 8.422 -2.838 344 1HB SER 48 2HB SER 48 8.305 9.382 -0.574 345 2HB SER 48 1HB SER 48 8.899 7.977 -1.456 346 HG SER 48 HG SER 48 8.283 9.482 -3.375 347 H SER 49 H SER 49 7.165 6.219 -3.023 348 HA SER 49 HA SER 49 7.057 4.493 -0.727 349 1HB SER 49 2HB SER 49 5.173 3.200 -2.251 350 2HB SER 49 1HB SER 49 4.815 4.185 -0.831 351 HG SER 49 HG SER 49 4.087 5.747 -2.074 352 H TYR 50 H TYR 50 8.344 2.787 -1.078 353 HA TYR 50 HA TYR 50 9.059 2.206 -3.876 354 1HB TYR 50 2HB TYR 50 10.693 2.178 -1.355 355 2HB TYR 50 1HB TYR 50 11.189 1.255 -2.771 356 HD1 TYR 50 1HD TYR 50 11.257 2.625 -5.022 357 HD2 TYR 50 2HD TYR 50 11.432 4.356 -1.141 358 HE1 TYR 50 1HE TYR 50 12.323 4.632 -5.972 359 HE2 TYR 50 2HE TYR 50 12.494 6.365 -2.075 360 HH TYR 50 HH TYR 50 12.817 6.856 -5.527 361 H THR 51 H THR 51 8.647 0.268 -4.622 362 HA THR 51 HA THR 51 7.881 -1.844 -2.715 363 HB THR 51 HB THR 51 6.928 -1.750 -5.559 364 HG1 THR 51 1HG THR 51 6.417 0.123 -3.791 365 1HG2 THR 51 1HG2 THR 51 6.520 -3.439 -3.290 366 2HG2 THR 51 2HG2 THR 51 5.878 -3.611 -4.923 367 3HG2 THR 51 3HG2 THR 51 4.987 -2.680 -3.720 368 H LYS 52 H LYS 52 9.480 -3.256 -2.593 369 HA LYS 52 HA LYS 52 10.401 -4.572 -4.995 370 1HB LYS 52 2HB LYS 52 12.041 -2.613 -3.631 371 2HB LYS 52 1HB LYS 52 12.789 -4.203 -3.562 372 1HG LYS 52 2HG LYS 52 13.371 -4.130 -5.704 373 2HG LYS 52 1HG LYS 52 11.764 -3.593 -6.203 374 1HD LYS 52 2HD LYS 52 12.327 -1.299 -5.619 375 2HD LYS 52 1HD LYS 52 13.914 -1.821 -5.048 376 1HE LYS 52 2HE LYS 52 14.724 -2.145 -7.157 377 2HE LYS 52 1HE LYS 52 13.137 -2.517 -7.828 378 1HZ LYS 52 1HZ LYS 52 12.572 -0.146 -7.632 379 2HZ LYS 52 2HZ LYS 52 13.904 -0.404 -8.652 380 3HZ LYS 52 3HZ LYS 52 14.145 0.178 -7.077 381 H SER 53 H SER 53 11.075 -6.668 -4.591 382 HA SER 53 HA SER 53 11.178 -8.663 -3.490 383 1HB SER 53 2HB SER 53 11.495 -7.101 -0.915 384 2HB SER 53 1HB SER 53 11.996 -8.766 -1.237 385 HG SER 53 HG SER 53 13.384 -7.742 -2.936 386 H GLY 54 H GLY 54 8.695 -6.894 -3.692 387 1HA GLY 54 1HA GLY 54 6.457 -7.205 -3.199 388 2HA GLY 54 2HA GLY 54 6.902 -8.628 -2.263 389 H MET 55 H MET 55 8.663 -5.854 -1.459 390 HA MET 55 HA MET 55 7.122 -5.584 1.025 391 1HB MET 55 2HB MET 55 9.993 -5.098 0.293 392 2HB MET 55 1HB MET 55 9.293 -4.297 1.693 393 1HG MET 55 2HG MET 55 8.644 -6.573 2.535 394 2HG MET 55 1HG MET 55 9.627 -7.244 1.232 395 1HE MET 55 1HE MET 55 12.039 -5.027 1.149 396 2HE MET 55 2HE MET 55 13.199 -5.950 2.103 397 3HE MET 55 3HE MET 55 12.173 -6.769 0.927 398 H ILE 56 H ILE 56 7.134 -3.402 1.985 399 HA ILE 56 HA ILE 56 6.940 -1.278 -0.053 400 HB ILE 56 HB ILE 56 5.202 -1.637 2.396 401 1HG1 ILE 56 2HG1 ILE 56 3.618 -1.237 0.140 402 1HG2 ILE 56 1HG2 ILE 56 4.816 0.573 0.430 403 2HG2 ILE 56 2HG2 ILE 56 4.319 0.471 2.120 404 3HG2 ILE 56 3HG2 ILE 56 6.014 0.753 1.712 405 1HD1 ILE 56 1HD1 ILE 56 3.391 -2.891 2.091 406 2HD1 ILE 56 2HD1 ILE 56 2.772 -3.356 0.507 407 3HD1 ILE 56 3HD1 ILE 56 4.319 -3.987 1.069 408 H LEU 57 H LEU 57 8.492 0.148 0.232 409 HA LEU 57 HA LEU 57 9.498 0.603 2.964 410 1HB LEU 57 2HB LEU 57 11.100 0.694 0.412 411 2HB LEU 57 1HB LEU 57 11.716 0.838 2.046 412 HG LEU 57 HG LEU 57 10.387 -1.633 1.967 413 1HD1 LEU 57 1HD1 LEU 57 11.766 -0.980 -0.587 414 2HD1 LEU 57 2HD1 LEU 57 11.920 -2.608 0.076 415 3HD1 LEU 57 3HD1 LEU 57 10.324 -1.954 -0.297 416 1HD2 LEU 57 1HD2 LEU 57 12.707 -2.508 2.180 417 2HD2 LEU 57 2HD2 LEU 57 13.299 -0.880 1.856 418 3HD2 LEU 57 3HD2 LEU 57 12.325 -1.192 3.295 419 H CYS 58 H CYS 58 10.244 2.642 3.480 420 HA CYS 58 HA CYS 58 9.155 4.867 1.988 421 1HB CYS 58 2HB CYS 58 9.949 6.237 3.817 422 2HB CYS 58 1HB CYS 58 9.151 4.823 4.493 423 H ARG 59 H ARG 59 11.045 6.788 2.142 424 HA ARG 59 HA ARG 59 12.879 6.072 0.084 425 1HB ARG 59 2HB ARG 59 11.876 8.384 0.582 426 2HB ARG 59 1HB ARG 59 13.121 8.517 1.818 427 1HG ARG 59 2HG ARG 59 14.375 9.388 0.200 428 2HG ARG 59 1HG ARG 59 14.562 7.726 -0.359 429 1HD ARG 59 2HD ARG 59 13.293 8.071 -2.177 430 2HD ARG 59 1HD ARG 59 12.113 9.035 -1.288 431 HE ARG 59 HE ARG 59 13.329 10.961 -1.758 432 1HH1 ARG 59 2HH1 ARG 59 14.820 8.103 -3.137 433 2HH1 ARG 59 1HH1 ARG 59 16.029 8.983 -4.015 434 1HH2 ARG 59 2HH2 ARG 59 14.895 12.139 -2.947 435 2HH2 ARG 59 1HH2 ARG 59 16.074 11.299 -3.909 436 H ASN 60 H ASN 60 13.211 6.694 3.563 437 HA ASN 60 HA ASN 60 16.025 6.303 3.667 438 1HB ASN 60 2HB ASN 60 15.076 7.473 5.488 439 2HB ASN 60 1HB ASN 60 13.838 6.248 5.743 440 1HD2 ASN 60 1HD2 ASN 60 14.157 4.933 7.379 441 2HD2 ASN 60 2HD2 ASN 60 15.680 4.554 8.102 442 H ASP 61 H ASP 61 13.257 4.173 4.237 443 HA ASP 61 HA ASP 61 14.599 1.848 5.052 444 1HB ASP 61 2HB ASP 61 11.989 2.511 3.861 445 2HB ASP 61 1HB ASP 61 12.542 0.876 3.544 446 H TYR 62 H TYR 62 13.776 3.074 1.858 447 HA TYR 62 HA TYR 62 14.630 0.912 0.319 448 1HB TYR 62 2HB TYR 62 13.280 2.930 -0.414 449 2HB TYR 62 1HB TYR 62 14.805 3.804 -0.516 450 HD1 TYR 62 1HD TYR 62 13.453 0.506 -1.639 451 HD2 TYR 62 2HD TYR 62 15.691 3.985 -2.622 452 HE1 TYR 62 1HE TYR 62 13.767 -0.349 -3.917 453 HE2 TYR 62 2HE TYR 62 16.013 3.137 -4.910 454 HH TYR 62 HH TYR 62 16.001 0.561 -5.933 455 H ILE 63 H ILE 63 16.391 3.847 1.272 456 HA ILE 63 HA ILE 63 18.788 3.252 -0.067 457 HB ILE 63 HB ILE 63 18.449 4.879 2.456 458 1HG1 ILE 63 2HG1 ILE 63 16.969 5.673 0.672 459 1HG2 ILE 63 1HG2 ILE 63 20.506 5.925 1.959 460 2HG2 ILE 63 2HG2 ILE 63 20.790 4.190 1.809 461 3HG2 ILE 63 3HG2 ILE 63 20.584 5.180 0.362 462 1HD1 ILE 63 1HD1 ILE 63 18.922 4.902 -1.104 463 2HD1 ILE 63 2HD1 ILE 63 17.490 5.862 -1.473 464 3HD1 ILE 63 3HD1 ILE 63 19.018 6.661 -1.113 465 H ARG 64 H ARG 64 17.520 2.173 2.993 466 HA ARG 64 HA ARG 64 20.031 1.135 3.936 467 1HB ARG 64 2HB ARG 64 17.189 0.931 4.894 468 2HB ARG 64 1HB ARG 64 18.475 -0.014 5.636 469 1HG ARG 64 2HG ARG 64 19.679 2.030 6.184 470 2HG ARG 64 1HG ARG 64 18.409 2.987 5.420 471 1HD ARG 64 2HD ARG 64 16.812 1.851 7.052 472 2HD ARG 64 1HD ARG 64 18.258 1.333 7.920 473 HE ARG 64 HE ARG 64 18.238 4.145 7.382 474 1HH1 ARG 64 2HH1 ARG 64 16.986 1.697 9.550 475 2HH1 ARG 64 1HH1 ARG 64 16.863 2.787 10.903 476 1HH2 ARG 64 2HH2 ARG 64 18.064 5.576 9.144 477 2HH2 ARG 64 1HH2 ARG 64 17.455 4.992 10.663 478 H LEU 65 H LEU 65 17.162 -0.177 2.350 479 HA LEU 65 HA LEU 65 18.155 -2.883 2.525 480 1HB LEU 65 2HB LEU 65 15.658 -1.611 1.955 481 2HB LEU 65 1HB LEU 65 16.038 -2.723 0.657 482 HG LEU 65 HG LEU 65 14.720 -3.936 2.204 483 1HD1 LEU 65 1HD1 LEU 65 16.555 -5.244 1.379 484 2HD1 LEU 65 2HD1 LEU 65 17.632 -4.598 2.618 485 3HD1 LEU 65 3HD1 LEU 65 16.293 -5.651 3.076 486 1HD2 LEU 65 1HD2 LEU 65 15.002 -3.964 4.540 487 2HD2 LEU 65 2HD2 LEU 65 16.595 -3.213 4.437 488 3HD2 LEU 65 3HD2 LEU 65 15.150 -2.270 4.069 489 H PHE 66 H PHE 66 17.298 -0.788 -0.242 490 HA PHE 66 HA PHE 66 19.260 -2.293 -1.854 491 1HB PHE 66 2HB PHE 66 16.888 -0.910 -3.073 492 2HB PHE 66 1HB PHE 66 17.832 -2.254 -3.706 493 HD1 PHE 66 1HD PHE 66 14.919 -1.285 -1.878 494 HD2 PHE 66 2HD PHE 66 17.603 -4.513 -2.576 495 HE1 PHE 66 1HE PHE 66 13.247 -2.861 -1.001 496 HE2 PHE 66 2HE PHE 66 15.935 -6.093 -1.699 497 HZ PHE 66 HZ PHE 66 13.754 -5.268 -0.911 498 H GLY 67 H GLY 67 19.988 -0.046 -0.375 499 1HA GLY 67 1HA GLY 67 19.863 2.295 -2.038 500 2HA GLY 67 2HA GLY 67 20.738 2.137 -0.523 501 H ASN 68 H ASN 68 20.857 1.032 -3.893 502 HA ASN 68 HA ASN 68 23.659 0.523 -3.913 503 1HB ASN 68 2HB ASN 68 22.605 -0.559 -5.663 504 2HB ASN 68 1HB ASN 68 21.491 0.770 -5.954 505 1HD2 ASN 68 1HD2 ASN 68 21.793 1.776 -7.788 506 2HD2 ASN 68 2HD2 ASN 68 23.292 1.943 -8.640 507 H SER 69 H SER 69 25.355 1.869 -4.373 508 HA SER 69 HA SER 69 25.043 4.593 -3.854 509 1HB SER 69 2HB SER 69 27.470 3.724 -5.332 510 2HB SER 69 1HB SER 69 27.327 4.670 -3.850 511 HG SER 69 HG SER 69 27.791 2.048 -4.127 512 H GLY 70 H GLY 70 23.722 5.717 -5.189 513 1HA GLY 70 1HA GLY 70 24.557 5.901 -8.020 514 2HA GLY 70 2HA GLY 70 22.884 6.055 -7.496 515 H ALA 71 H ALA 71 25.830 7.408 -6.103 516 HA ALA 71 HA ALA 71 24.873 10.109 -6.750 517 1HB ALA 71 1HB ALA 71 24.450 10.518 -4.606 518 2HB ALA 71 2HB ALA 71 25.038 8.922 -4.144 519 3HB ALA 71 3HB ALA 71 26.162 10.276 -4.257 520 H GLY 72 H GLY 72 26.384 10.739 -8.173 521 1HA GLY 72 1HA GLY 72 28.750 11.772 -7.852 522 2HA GLY 72 2HA GLY 72 29.198 10.084 -7.637 523 H GLY 73 H GLY 73 27.373 9.022 -9.540 524 1HA GLY 73 1HA GLY 73 28.574 10.039 -12.044 525 2HA GLY 73 2HA GLY 73 28.112 8.361 -11.781 526 H SER 74 H SER 74 26.136 10.897 -10.573 527 HA SER 74 HA SER 74 24.067 10.187 -12.530 528 1HB SER 74 2HB SER 74 22.998 11.491 -10.218 529 2HB SER 74 1HB SER 74 22.761 9.824 -10.742 530 HG SER 74 HG SER 74 23.700 9.745 -8.732 531 H GLY 75 H GLY 75 24.212 11.713 -14.091 532 1HA GLY 75 1HA GLY 75 24.712 14.486 -13.476 533 2HA GLY 75 2HA GLY 75 24.329 13.819 -15.059 534 H GLY 76 H GLY 76 21.934 12.542 -14.420 535 1HA GLY 76 1HA GLY 76 20.204 14.854 -13.807 536 2HA GLY 76 2HA GLY 76 19.769 13.569 -14.927 537 H HIS 77 H HIS 77 18.251 12.325 -14.132 538 HA HIS 77 HA HIS 77 16.967 11.101 -12.707 539 1HB HIS 77 2HB HIS 77 19.530 10.182 -12.503 540 2HB HIS 77 1HB HIS 77 19.149 10.518 -10.817 541 HD1 HIS 77 1HD HIS 77 18.951 8.124 -10.047 542 HD2 HIS 77 2HD HIS 77 16.500 9.003 -13.285 543 HE1 HIS 77 1HE HIS 77 17.451 6.126 -10.323 544 HE2 HIS 77 2HE HIS 77 15.834 6.781 -12.139 545 H MET 78 H MET 78 16.765 13.772 -12.173 546 HA MET 78 HA MET 78 16.547 13.793 -9.238 547 1HB MET 78 2HB MET 78 17.979 15.590 -10.870 548 2HB MET 78 1HB MET 78 16.547 16.455 -10.329 549 1HG MET 78 2HG MET 78 18.583 15.092 -8.582 550 2HG MET 78 1HG MET 78 18.386 16.828 -8.812 551 1HE MET 78 1HE MET 78 17.092 13.587 -7.229 552 2HE MET 78 2HE MET 78 18.084 14.505 -6.098 553 3HE MET 78 3HE MET 78 16.376 14.238 -5.755 554 H GLY 79 H GLY 79 14.835 15.341 -8.465 555 1HA GLY 79 1HA GLY 79 12.713 16.387 -8.817 556 2HA GLY 79 2HA GLY 79 12.564 15.496 -10.327 557 H SER 80 H SER 80 13.557 13.039 -8.989 558 HA SER 80 HA SER 80 11.044 12.006 -8.095 559 1HB SER 80 2HB SER 80 13.334 10.330 -7.486 560 2HB SER 80 1HB SER 80 12.005 10.040 -8.611 561 HG SER 80 HG SER 80 14.319 10.297 -9.424 562 H GLY 81 H GLY 81 10.638 11.086 -6.014 563 1HA GLY 81 1HA GLY 81 11.097 10.861 -3.683 564 2HA GLY 81 2HA GLY 81 12.329 12.109 -3.837 565 H GLY 82 H GLY 82 8.916 11.457 -3.552 566 1HA GLY 82 1HA GLY 82 8.226 14.289 -3.578 567 2HA GLY 82 2HA GLY 82 7.110 12.940 -3.377 568 H ASP 83 H ASP 83 9.689 12.406 -1.463 569 HA ASP 83 HA ASP 83 8.303 12.776 0.969 570 1HB ASP 83 2HB ASP 83 10.347 12.011 2.016 571 2HB ASP 83 1HB ASP 83 10.085 11.067 0.552 572 H VAL 84 H VAL 84 9.293 13.963 2.813 573 HA VAL 84 HA VAL 84 10.420 16.554 1.971 574 HB VAL 84 HB VAL 84 9.374 17.393 4.201 575 1HG1 VAL 84 1HG1 VAL 84 8.699 17.674 1.607 576 2HG1 VAL 84 2HG1 VAL 84 7.208 16.988 2.250 577 3HG1 VAL 84 3HG1 VAL 84 7.861 18.477 2.934 578 1HG2 VAL 84 1HG2 VAL 84 8.152 14.754 3.916 579 2HG2 VAL 84 2HG2 VAL 84 8.256 15.809 5.326 580 3HG2 VAL 84 3HG2 VAL 84 6.981 16.057 4.133 581 H MET 85 H MET 85 11.774 14.116 2.625 582 HA MET 85 HA MET 85 12.978 14.744 5.237 583 1HB MET 85 2HB MET 85 11.928 12.394 4.494 584 2HB MET 85 1HB MET 85 13.557 12.169 3.873 585 1HG MET 85 2HG MET 85 13.909 11.349 5.935 586 2HG MET 85 1HG MET 85 14.151 13.052 6.322 587 1HE MET 85 1HE MET 85 12.698 14.228 8.331 588 2HE MET 85 2HE MET 85 12.258 12.933 9.445 589 3HE MET 85 3HE MET 85 13.831 12.911 8.647 590 H VAL 86 H VAL 86 13.713 13.925 1.871 591 HA VAL 86 HA VAL 86 16.414 15.021 2.324 592 HB VAL 86 HB VAL 86 16.850 12.763 1.917 593 1HG1 VAL 86 1HG1 VAL 86 15.342 12.387 -0.567 594 2HG1 VAL 86 2HG1 VAL 86 15.565 11.307 0.808 595 3HG1 VAL 86 3HG1 VAL 86 14.358 12.591 0.882 596 1HG2 VAL 86 1HG2 VAL 86 17.612 14.637 0.000 597 2HG2 VAL 86 2HG2 VAL 86 18.370 13.078 0.331 598 3HG2 VAL 86 3HG2 VAL 86 17.131 13.208 -0.917 599 H VAL 87 H VAL 87 13.644 14.790 0.154 600 HA VAL 87 HA VAL 87 14.848 16.907 -1.509 601 HB VAL 87 HB VAL 87 12.353 15.628 -2.452 602 1HG1 VAL 87 1HG1 VAL 87 14.971 16.323 -3.787 603 2HG1 VAL 87 2HG1 VAL 87 13.511 15.772 -4.610 604 3HG1 VAL 87 3HG1 VAL 87 13.518 17.323 -3.767 605 1HG2 VAL 87 1HG2 VAL 87 14.166 13.883 -1.455 606 2HG2 VAL 87 2HG2 VAL 87 13.093 13.533 -2.811 607 3HG2 VAL 87 3HG2 VAL 87 14.751 14.057 -3.109 608 H GLY 88 H GLY 88 13.040 16.787 1.104 609 1HA GLY 88 1HA GLY 88 10.735 18.336 0.386 610 2HA GLY 88 2HA GLY 88 11.350 18.075 2.013 611 H GLU 89 H GLU 89 13.909 19.065 1.733 612 HA GLU 89 HA GLU 89 13.503 21.879 0.973 613 1HB GLU 89 2HB GLU 89 14.045 20.823 3.578 614 2HB GLU 89 1HB GLU 89 15.456 21.725 3.038 615 1HG GLU 89 2HG GLU 89 13.007 23.153 2.488 616 2HG GLU 89 1HG GLU 89 13.157 22.749 4.198 617 HA PRO 90 HA PRO 90 16.925 21.251 -1.706 618 1HB PRO 90 2HB PRO 90 17.707 24.025 -0.961 619 2HB PRO 90 1HB PRO 90 17.429 23.325 -2.559 620 1HG PRO 90 2HG PRO 90 15.633 24.951 -1.452 621 2HG PRO 90 1HG PRO 90 15.129 23.541 -2.401 622 1HD PRO 90 2HD PRO 90 15.146 23.931 0.557 623 2HD PRO 90 1HD PRO 90 13.988 23.049 -0.459 624 H THR 91 H THR 91 18.306 19.824 -0.727 625 HA THR 91 HA THR 91 20.356 20.991 1.041 626 HB THR 91 HB THR 91 19.979 18.057 1.110 627 HG1 THR 91 1HG THR 91 17.821 19.478 1.279 628 1HG2 THR 91 1HG2 THR 91 21.049 20.190 2.756 629 2HG2 THR 91 2HG2 THR 91 21.370 18.456 2.813 630 3HG2 THR 91 3HG2 THR 91 19.985 19.126 3.677 631 H LEU 92 H LEU 92 19.676 18.476 -1.364 632 HA LEU 92 HA LEU 92 22.106 19.095 -2.756 633 1HB LEU 92 2HB LEU 92 22.556 17.310 -0.842 634 2HB LEU 92 1HB LEU 92 21.896 16.211 -2.036 635 HG LEU 92 HG LEU 92 24.519 16.780 -1.819 636 1HD1 LEU 92 1HD1 LEU 92 24.677 16.048 -4.233 637 2HD1 LEU 92 2HD1 LEU 92 23.767 14.993 -3.151 638 3HD1 LEU 92 3HD1 LEU 92 22.914 16.072 -4.254 639 1HD2 LEU 92 1HD2 LEU 92 25.225 18.313 -3.522 640 2HD2 LEU 92 2HD2 LEU 92 23.556 18.618 -4.005 641 3HD2 LEU 92 3HD2 LEU 92 24.130 19.157 -2.426 642 H MET 93 H MET 93 20.921 19.526 -4.521 643 HA MET 93 HA MET 93 19.012 17.576 -5.538 644 1HB MET 93 2HB MET 93 19.040 20.294 -5.593 645 2HB MET 93 1HB MET 93 19.722 19.933 -7.171 646 1HG MET 93 2HG MET 93 17.678 19.645 -7.945 647 2HG MET 93 1HG MET 93 17.504 18.248 -6.884 648 1HE MET 93 1HE MET 93 17.221 22.377 -5.542 649 2HE MET 93 2HE MET 93 17.526 21.902 -7.212 650 3HE MET 93 3HE MET 93 15.904 22.383 -6.714 651 H GLY 94 H GLY 94 21.502 16.505 -5.424 652 1HA GLY 94 1HA GLY 94 22.682 16.761 -8.096 653 2HA GLY 94 2HA GLY 94 23.432 15.994 -6.704 654 H GLY 95 H GLY 95 20.303 14.978 -6.787 655 1HA GLY 95 1HA GLY 95 19.233 13.088 -7.538 656 2HA GLY 95 2HA GLY 95 20.391 13.036 -8.861 657 H GLU 96 H GLU 96 20.670 12.725 -5.328 658 HA GLU 96 HA GLU 96 22.508 10.512 -5.632 659 1HB GLU 96 2HB GLU 96 21.635 10.799 -2.929 660 2HB GLU 96 1HB GLU 96 23.209 11.175 -3.615 661 1HG GLU 96 2HG GLU 96 22.778 13.262 -2.964 662 2HG GLU 96 1HG GLU 96 21.743 13.334 -4.389 663 H PHE 97 H PHE 97 21.304 8.916 -6.588 664 HA PHE 97 HA PHE 97 19.870 7.188 -6.807 665 1HB PHE 97 2HB PHE 97 20.811 6.936 -4.267 666 2HB PHE 97 1HB PHE 97 19.078 7.046 -3.966 667 HD1 PHE 97 1HD PHE 97 18.413 4.898 -3.412 668 HD2 PHE 97 2HD PHE 97 20.901 5.488 -6.814 669 HE1 PHE 97 1HE PHE 97 18.144 2.529 -4.016 670 HE2 PHE 97 2HE PHE 97 20.635 3.120 -7.424 671 HZ PHE 97 HZ PHE 97 19.258 1.636 -6.022 672 H GLY 98 H GLY 98 18.740 9.300 -7.645 673 1HA GLY 98 1HA GLY 98 16.237 9.851 -6.243 674 2HA GLY 98 2HA GLY 98 16.808 10.639 -7.711 675 H ASP 99 H ASP 99 15.986 7.356 -6.639 676 HA ASP 99 HA ASP 99 15.323 6.483 -9.228 677 1HB ASP 99 2HB ASP 99 15.867 5.211 -6.912 678 2HB ASP 99 1HB ASP 99 14.113 5.034 -6.948 679 H GLU 100 H GLU 100 13.540 6.599 -10.384 680 HA GLU 100 HA GLU 100 11.214 7.942 -9.278 681 1HB GLU 100 2HB GLU 100 11.045 6.996 -12.049 682 2HB GLU 100 1HB GLU 100 10.764 8.599 -11.388 683 1HG GLU 100 2HG GLU 100 12.575 9.050 -12.667 684 2HG GLU 100 1HG GLU 100 13.403 8.576 -11.184 685 H ASP 101 H ASP 101 12.063 5.042 -8.770 686 HA ASP 101 HA ASP 101 9.931 3.453 -9.838 687 1HB ASP 101 2HB ASP 101 12.276 2.699 -9.016 688 2HB ASP 101 1HB ASP 101 11.555 2.730 -7.412 689 H GLU 102 H GLU 102 9.993 5.821 -7.550 690 HA GLU 102 HA GLU 102 8.160 4.617 -5.666 691 1HB GLU 102 2HB GLU 102 8.200 6.959 -4.660 692 2HB GLU 102 1HB GLU 102 9.712 6.066 -4.654 693 1HG GLU 102 2HG GLU 102 10.681 7.807 -5.617 694 2HG GLU 102 1HG GLU 102 9.701 7.510 -7.053 695 H ARG 103 H ARG 103 6.961 7.466 -5.432 696 HA ARG 103 HA ARG 103 5.017 8.485 -5.962 697 1HB ARG 103 2HB ARG 103 6.524 8.430 -8.244 698 2HB ARG 103 1HB ARG 103 5.016 7.717 -8.798 699 1HG ARG 103 2HG ARG 103 5.377 10.283 -8.940 700 2HG ARG 103 1HG ARG 103 3.813 9.636 -8.439 701 1HD ARG 103 2HD ARG 103 4.330 11.393 -6.937 702 2HD ARG 103 1HD ARG 103 4.598 9.887 -6.060 703 HE ARG 103 HE ARG 103 6.983 10.214 -6.394 704 1HH1 ARG 103 2HH1 ARG 103 4.892 12.982 -6.878 705 2HH1 ARG 103 1HH1 ARG 103 6.177 14.138 -6.696 706 1HH2 ARG 103 2HH2 ARG 103 8.663 11.705 -6.207 707 2HH2 ARG 103 1HH2 ARG 103 8.334 13.417 -6.329 708 H LEU 104 H LEU 104 4.585 6.032 -4.895 709 HA LEU 104 HA LEU 104 2.406 4.932 -6.533 710 1HB LEU 104 2HB LEU 104 4.187 3.688 -4.462 711 2HB LEU 104 1HB LEU 104 2.651 2.960 -4.887 712 HG LEU 104 HG LEU 104 4.183 3.537 -7.265 713 1HD1 LEU 104 1HD1 LEU 104 5.530 1.393 -5.767 714 2HD1 LEU 104 2HD1 LEU 104 6.182 2.569 -6.910 715 3HD1 LEU 104 3HD1 LEU 104 5.891 3.036 -5.234 716 1HD2 LEU 104 1HD2 LEU 104 2.692 1.325 -6.013 717 2HD2 LEU 104 2HD2 LEU 104 2.656 1.929 -7.669 718 3HD2 LEU 104 3HD2 LEU 104 3.956 0.857 -7.151 719 H ILE 105 H ILE 105 2.961 6.937 -3.937 720 HA ILE 105 HA ILE 105 0.699 5.969 -2.374 721 HB ILE 105 HB ILE 105 2.862 7.965 -1.852 722 1HG1 ILE 105 2HG1 ILE 105 1.632 5.725 -0.231 723 1HG2 ILE 105 1HG2 ILE 105 1.600 8.576 0.278 724 2HG2 ILE 105 2HG2 ILE 105 1.045 9.323 -1.215 725 3HG2 ILE 105 3HG2 ILE 105 0.160 7.962 -0.527 726 1HD1 ILE 105 1HD1 ILE 105 3.886 5.956 0.991 727 2HD1 ILE 105 2HD1 ILE 105 3.884 7.598 0.345 728 3HD1 ILE 105 3HD1 ILE 105 2.574 7.062 1.398 729 H THR 106 H THR 106 -1.240 6.673 -2.534 730 HA THR 106 HA THR 106 -1.767 9.403 -3.520 731 HB THR 106 HB THR 106 -3.923 7.387 -3.770 732 HG1 THR 106 1HG THR 106 -1.513 6.853 -4.762 733 1HG2 THR 106 1HG2 THR 106 -3.741 9.914 -4.558 734 2HG2 THR 106 2HG2 THR 106 -4.702 8.713 -5.424 735 3HG2 THR 106 3HG2 THR 106 -3.090 9.139 -6.004 736 H ARG 107 H ARG 107 -2.413 10.556 -1.758 737 HA ARG 107 HA ARG 107 -3.962 9.106 0.291 738 1HB ARG 107 2HB ARG 107 -1.477 9.365 0.747 739 2HB ARG 107 1HB ARG 107 -1.781 11.089 0.906 740 1HG ARG 107 2HG ARG 107 -3.354 9.140 2.535 741 2HG ARG 107 1HG ARG 107 -1.721 9.600 3.021 742 1HD ARG 107 2HD ARG 107 -2.749 12.029 2.528 743 2HD ARG 107 1HD ARG 107 -4.223 11.182 2.992 744 HE ARG 107 HE ARG 107 -3.363 10.892 5.155 745 1HH1 ARG 107 2HH1 ARG 107 -1.101 12.601 3.081 746 2HH1 ARG 107 1HH1 ARG 107 -0.172 13.215 4.415 747 1HH2 ARG 107 2HH2 ARG 107 -2.132 11.671 6.884 748 2HH2 ARG 107 1HH2 ARG 107 -0.736 12.672 6.582 749 H LEU 108 H LEU 108 -5.753 9.987 0.795 750 HA LEU 108 HA LEU 108 -5.805 12.734 1.575 751 1HB LEU 108 2HB LEU 108 -7.299 11.860 -0.792 752 2HB LEU 108 1HB LEU 108 -8.324 12.572 0.437 753 HG LEU 108 HG LEU 108 -7.853 14.474 -0.694 754 1HD1 LEU 108 1HD1 LEU 108 -5.285 14.231 0.864 755 2HD1 LEU 108 2HD1 LEU 108 -6.000 15.725 0.256 756 3HD1 LEU 108 3HD1 LEU 108 -6.826 14.795 1.507 757 1HD2 LEU 108 1HD2 LEU 108 -5.082 14.097 -1.487 758 2HD2 LEU 108 2HD2 LEU 108 -6.149 12.831 -2.098 759 3HD2 LEU 108 3HD2 LEU 108 -6.491 14.524 -2.457 760 H GLU 109 H GLU 109 -6.126 12.155 3.663 761 HA GLU 109 HA GLU 109 -7.821 9.883 4.218 762 1HB GLU 109 2HB GLU 109 -5.913 11.549 5.805 763 2HB GLU 109 1HB GLU 109 -7.082 10.543 6.652 764 1HG GLU 109 2HG GLU 109 -6.213 8.564 5.693 765 2HG GLU 109 1HG GLU 109 -5.245 9.469 4.531 766 H ASN 110 H ASN 110 -9.760 10.748 3.538 767 HA ASN 110 HA ASN 110 -11.513 11.505 5.524 768 1HB ASN 110 2HB ASN 110 -10.206 13.713 5.203 769 2HB ASN 110 1HB ASN 110 -11.060 13.852 3.671 770 1HD2 ASN 110 1HD2 ASN 110 -11.486 15.874 5.179 771 2HD2 ASN 110 2HD2 ASN 110 -13.020 15.813 5.995 772 H THR 111 H THR 111 -13.556 12.686 4.099 773 HA THR 111 HA THR 111 -14.248 10.667 2.182 774 HB THR 111 HB THR 111 -16.028 12.839 1.933 775 HG1 THR 111 1HG THR 111 -16.518 13.145 4.215 776 1HG2 THR 111 1HG2 THR 111 -17.131 10.862 1.938 777 2HG2 THR 111 2HG2 THR 111 -17.267 11.175 3.668 778 3HG2 THR 111 3HG2 THR 111 -15.994 10.113 3.060 779 H GLN 112 H GLN 112 -12.023 12.839 1.826 780 HA GLN 112 HA GLN 112 -12.715 14.254 -0.557 781 1HB GLN 112 2HB GLN 112 -9.898 13.598 0.307 782 2HB GLN 112 1HB GLN 112 -10.471 15.007 -0.576 783 1HG GLN 112 2HG GLN 112 -10.873 14.388 2.337 784 2HG GLN 112 1HG GLN 112 -9.900 15.677 1.636 785 1HE2 GLN 112 1HE2 GLN 112 -11.071 17.310 0.370 786 2HE2 GLN 112 2HE2 GLN 112 -12.665 17.761 0.890 787 H PHE 113 H PHE 113 -10.808 11.370 0.182 788 HA PHE 113 HA PHE 113 -10.801 10.674 -2.663 789 1HB PHE 113 2HB PHE 113 -8.897 10.326 -0.490 790 2HB PHE 113 1HB PHE 113 -9.204 8.816 -1.337 791 HD1 PHE 113 1HD PHE 113 -6.550 9.841 -1.423 792 HD2 PHE 113 2HD PHE 113 -9.884 10.904 -3.841 793 HE1 PHE 113 1HE PHE 113 -5.022 10.547 -3.211 794 HE2 PHE 113 2HE PHE 113 -8.360 11.615 -5.636 795 HZ PHE 113 HZ PHE 113 -5.925 11.439 -5.321 796 H ASP 114 H ASP 114 -10.436 7.871 -2.298 797 HA ASP 114 HA ASP 114 -13.184 7.136 -2.041 798 1HB ASP 114 2HB ASP 114 -11.214 6.206 -3.565 799 2HB ASP 114 1HB ASP 114 -11.074 5.053 -2.242 800 H ALA 115 H ALA 115 -12.422 8.050 0.433 801 HA ALA 115 HA ALA 115 -12.176 5.649 2.106 802 1HB ALA 115 1HB ALA 115 -11.938 7.222 3.990 803 2HB ALA 115 2HB ALA 115 -10.733 7.515 2.736 804 3HB ALA 115 3HB ALA 115 -12.137 8.574 2.874 805 H ALA 116 H ALA 116 -14.484 6.896 0.429 806 HA ALA 116 HA ALA 116 -16.513 7.088 2.528 807 1HB ALA 116 1HB ALA 116 -16.102 8.576 0.230 808 2HB ALA 116 2HB ALA 116 -17.465 7.531 -0.178 809 3HB ALA 116 3HB ALA 116 -17.550 8.583 1.237 810 H ASN 117 H ASN 117 -16.695 4.894 3.026 811 HA ASN 117 HA ASN 117 -17.414 2.972 0.978 812 1HB ASN 117 2HB ASN 117 -16.211 2.078 2.841 813 2HB ASN 117 1HB ASN 117 -17.279 2.864 3.997 814 1HD2 ASN 117 1HD2 ASN 117 -18.795 1.667 4.870 815 2HD2 ASN 117 2HD2 ASN 117 -19.382 0.153 4.249 816 H GLY 118 H GLY 118 -18.926 4.812 3.548 817 1HA GLY 118 1HA GLY 118 -21.368 5.121 2.188 818 2HA GLY 118 2HA GLY 118 -21.535 3.828 3.372 819 H ILE 119 H ILE 119 -22.782 6.502 3.281 820 HA ILE 119 HA ILE 119 -21.637 7.658 5.734 821 HB ILE 119 HB ILE 119 -23.608 8.971 3.857 822 1HG1 ILE 119 2HG1 ILE 119 -20.707 9.728 4.016 823 1HG2 ILE 119 1HG2 ILE 119 -23.831 10.191 5.761 824 2HG2 ILE 119 2HG2 ILE 119 -22.221 9.772 6.348 825 3HG2 ILE 119 3HG2 ILE 119 -22.412 10.997 5.094 826 1HD1 ILE 119 1HD1 ILE 119 -22.227 11.211 2.802 827 2HD1 ILE 119 2HD1 ILE 119 -21.027 10.472 1.739 828 3HD1 ILE 119 3HD1 ILE 119 -22.685 9.870 1.753 829 H ASP 120 H ASP 120 -22.575 6.312 7.225 830 HA ASP 120 HA ASP 120 -25.490 6.577 7.490 831 1HB ASP 120 2HB ASP 120 -24.823 4.317 6.558 832 2HB ASP 120 1HB ASP 120 -23.992 4.019 8.083 833 H ASP 121 H ASP 121 -26.134 7.169 9.444 834 HA ASP 121 HA ASP 121 -24.129 7.557 11.504 835 1HB ASP 121 2HB ASP 121 -26.221 9.083 10.743 836 2HB ASP 121 1HB ASP 121 -26.975 8.187 12.058 837 H GLU 122 H GLU 122 -25.207 7.173 13.857 838 HA GLU 122 HA GLU 122 -25.376 4.301 14.005 839 1HB GLU 122 2HB GLU 122 -25.627 6.250 16.292 840 2HB GLU 122 1HB GLU 122 -25.130 4.565 16.363 841 1HG GLU 122 2HG GLU 122 -23.546 6.594 14.833 842 2HG GLU 122 1HG GLU 122 -23.337 6.379 16.569 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -16.572 6.376 -12.634 2 2H GLY 1 2H GLY 1 -16.918 5.356 -11.325 3 3H GLY 1 3H GLY 1 -17.317 4.878 -12.901 4 1HA GLY 1 2HA GLY 1 -15.320 4.030 -13.275 5 2HA GLY 1 1HA GLY 1 -14.555 5.509 -12.705 6 H SER 2 H SER 2 -13.003 3.827 -11.913 7 HA SER 2 HA SER 2 -12.002 2.730 -10.204 8 1HB SER 2 2HB SER 2 -14.112 3.905 -8.389 9 2HB SER 2 1HB SER 2 -12.469 3.424 -7.968 10 HG SER 2 HG SER 2 -11.895 5.377 -8.441 11 H LEU 3 H LEU 3 -12.584 0.707 -11.051 12 HA LEU 3 HA LEU 3 -14.977 -0.600 -10.049 13 1HB LEU 3 2HB LEU 3 -13.290 -0.942 -12.280 14 2HB LEU 3 1HB LEU 3 -13.120 -2.396 -11.315 15 HG LEU 3 HG LEU 3 -15.904 -1.689 -11.560 16 1HD1 LEU 3 1HD1 LEU 3 -16.258 -1.773 -13.863 17 2HD1 LEU 3 2HD1 LEU 3 -14.906 -0.654 -13.681 18 3HD1 LEU 3 3HD1 LEU 3 -14.613 -2.317 -14.190 19 1HD2 LEU 3 1HD2 LEU 3 -16.119 -3.921 -11.704 20 2HD2 LEU 3 2HD2 LEU 3 -14.858 -4.067 -12.926 21 3HD2 LEU 3 3HD2 LEU 3 -14.422 -3.934 -11.223 22 H SER 4 H SER 4 -11.894 -0.021 -8.924 23 HA SER 4 HA SER 4 -11.516 -2.478 -7.472 24 1HB SER 4 2HB SER 4 -9.970 -0.447 -6.290 25 2HB SER 4 1HB SER 4 -9.424 -1.661 -7.445 26 HG SER 4 HG SER 4 -8.952 0.383 -8.250 27 H TRP 5 H TRP 5 -11.828 -2.794 -5.270 28 HA TRP 5 HA TRP 5 -13.755 -0.927 -4.092 29 1HB TRP 5 2HB TRP 5 -13.881 -3.659 -4.371 30 2HB TRP 5 1HB TRP 5 -13.367 -3.466 -2.695 31 HD1 TRP 5 HD TRP 5 -16.147 -2.156 -5.038 32 HE1 TRP 5 1HE TRP 5 -18.266 -1.754 -3.618 33 HE3 TRP 5 3HE TRP 5 -14.241 -3.273 -0.431 34 HZ2 TRP 5 2HZ TRP 5 -19.007 -1.888 -0.894 35 HZ3 TRP 5 3HZ TRP 5 -15.709 -3.104 1.533 36 HH2 TRP 5 HH TRP 5 -18.046 -2.427 1.304 37 H LYS 6 H LYS 6 -13.651 -0.443 -1.848 38 HA LYS 6 HA LYS 6 -11.011 0.282 -1.080 39 1HB LYS 6 2HB LYS 6 -13.391 1.395 -0.618 40 2HB LYS 6 1HB LYS 6 -13.228 0.490 0.882 41 1HG LYS 6 2HG LYS 6 -11.813 1.977 1.704 42 2HG LYS 6 1HG LYS 6 -10.782 1.871 0.274 43 1HD LYS 6 2HD LYS 6 -11.477 3.872 -0.396 44 2HD LYS 6 1HD LYS 6 -13.149 3.307 -0.402 45 1HE LYS 6 2HE LYS 6 -12.953 3.677 2.188 46 2HE LYS 6 1HE LYS 6 -11.633 4.751 1.723 47 1HZ LYS 6 1HZ LYS 6 -13.097 6.082 0.465 48 2HZ LYS 6 2HZ LYS 6 -13.871 5.815 1.947 49 3HZ LYS 6 3HZ LYS 6 -14.359 4.952 0.568 50 H ARG 7 H ARG 7 -10.070 -1.833 -0.953 51 HA ARG 7 HA ARG 7 -10.474 -2.987 1.716 52 1HB ARG 7 2HB ARG 7 -10.446 -5.137 0.966 53 2HB ARG 7 1HB ARG 7 -11.096 -4.387 -0.484 54 1HG ARG 7 2HG ARG 7 -9.350 -5.027 -1.690 55 2HG ARG 7 1HG ARG 7 -8.206 -4.395 -0.503 56 1HD ARG 7 2HD ARG 7 -9.632 -6.883 0.213 57 2HD ARG 7 1HD ARG 7 -8.436 -7.001 -1.077 58 HE ARG 7 HE ARG 7 -7.526 -5.647 1.312 59 1HH1 ARG 7 2HH1 ARG 7 -7.829 -8.721 -0.347 60 2HH1 ARG 7 1HH1 ARG 7 -6.507 -9.458 0.511 61 1HH2 ARG 7 2HH2 ARG 7 -5.777 -6.589 2.414 62 2HH2 ARG 7 1HH2 ARG 7 -5.312 -8.231 2.071 63 H CYS 8 H CYS 8 -8.709 -3.180 2.934 64 HA CYS 8 HA CYS 8 -6.359 -1.791 2.030 65 1HB CYS 8 2HB CYS 8 -7.210 -1.221 4.185 66 2HB CYS 8 1HB CYS 8 -7.249 -2.904 4.689 67 H ALA 9 H ALA 9 -4.456 -2.630 1.528 68 HA ALA 9 HA ALA 9 -4.136 -5.535 1.549 69 1HB ALA 9 1HB ALA 9 -2.745 -5.272 -0.207 70 2HB ALA 9 2HB ALA 9 -3.501 -3.684 -0.326 71 3HB ALA 9 3HB ALA 9 -1.953 -3.862 0.500 72 H GLY 10 H GLY 10 -3.671 -3.143 3.697 73 1HA GLY 10 1HA GLY 10 -0.992 -3.842 4.578 74 2HA GLY 10 2HA GLY 10 -2.064 -2.662 5.317 75 H CYS 11 H CYS 11 -4.210 -3.897 6.118 76 HA CYS 11 HA CYS 11 -3.173 -5.887 7.990 77 1HB CYS 11 2HB CYS 11 -5.339 -5.496 9.202 78 2HB CYS 11 1HB CYS 11 -4.292 -4.091 9.085 79 H GLY 12 H GLY 12 -5.745 -5.408 5.634 80 1HA GLY 12 1HA GLY 12 -5.993 -7.325 4.106 81 2HA GLY 12 2HA GLY 12 -6.014 -8.346 5.531 82 H GLY 13 H GLY 13 -7.792 -5.465 5.990 83 1HA GLY 13 1HA GLY 13 -10.248 -6.991 5.515 84 2HA GLY 13 2HA GLY 13 -10.073 -5.717 6.713 85 H LYS 14 H LYS 14 -11.825 -4.678 5.878 86 HA LYS 14 HA LYS 14 -11.509 -3.407 3.241 87 1HB LYS 14 2HB LYS 14 -13.904 -4.070 4.907 88 2HB LYS 14 1HB LYS 14 -13.978 -2.691 3.820 89 1HG LYS 14 2HG LYS 14 -14.286 -4.000 2.058 90 2HG LYS 14 1HG LYS 14 -12.897 -5.004 2.480 91 1HD LYS 14 2HD LYS 14 -14.936 -5.617 4.331 92 2HD LYS 14 1HD LYS 14 -15.687 -5.585 2.735 93 1HE LYS 14 2HE LYS 14 -14.610 -7.430 2.055 94 2HE LYS 14 1HE LYS 14 -13.098 -6.948 2.823 95 1HZ LYS 14 1HZ LYS 14 -13.615 -8.693 4.137 96 2HZ LYS 14 2HZ LYS 14 -15.282 -8.567 3.870 97 3HZ LYS 14 3HZ LYS 14 -14.518 -7.526 4.968 98 H ILE 15 H ILE 15 -11.793 -1.114 3.101 99 HA ILE 15 HA ILE 15 -11.084 0.215 5.619 100 HB ILE 15 HB ILE 15 -11.028 1.672 3.021 101 1HG1 ILE 15 2HG1 ILE 15 -8.969 -0.368 3.903 102 1HG2 ILE 15 1HG2 ILE 15 -10.456 2.440 5.504 103 2HG2 ILE 15 2HG2 ILE 15 -8.874 1.795 5.055 104 3HG2 ILE 15 3HG2 ILE 15 -9.607 3.082 4.096 105 1HD1 ILE 15 1HD1 ILE 15 -7.566 1.241 3.086 106 2HD1 ILE 15 2HD1 ILE 15 -7.961 0.354 1.615 107 3HD1 ILE 15 3HD1 ILE 15 -8.771 1.880 1.967 108 H ALA 16 H ALA 16 -12.915 0.682 6.660 109 HA ALA 16 HA ALA 16 -15.099 1.999 5.197 110 1HB ALA 16 1HB ALA 16 -14.926 0.380 7.646 111 2HB ALA 16 2HB ALA 16 -16.004 1.772 7.747 112 3HB ALA 16 3HB ALA 16 -16.248 0.557 6.493 113 H ASP 17 H ASP 17 -12.355 2.667 6.866 114 HA ASP 17 HA ASP 17 -13.093 4.900 8.444 115 1HB ASP 17 2HB ASP 17 -10.546 3.733 7.428 116 2HB ASP 17 1HB ASP 17 -10.516 5.405 7.982 117 H ARG 18 H ARG 18 -12.940 7.086 8.011 118 HA ARG 18 HA ARG 18 -13.619 7.882 5.379 119 1HB ARG 18 2HB ARG 18 -14.194 8.975 7.666 120 2HB ARG 18 1HB ARG 18 -12.645 9.786 7.489 121 1HG ARG 18 2HG ARG 18 -13.365 10.807 5.430 122 2HG ARG 18 1HG ARG 18 -14.887 9.914 5.486 123 1HD ARG 18 2HD ARG 18 -14.158 11.609 7.820 124 2HD ARG 18 1HD ARG 18 -14.707 12.408 6.348 125 HE ARG 18 HE ARG 18 -16.507 10.345 6.950 126 1HH1 ARG 18 2HH1 ARG 18 -15.435 13.400 8.309 127 2HH1 ARG 18 1HH1 ARG 18 -16.970 13.748 9.045 128 1HH2 ARG 18 2HH2 ARG 18 -18.531 10.824 7.911 129 2HH2 ARG 18 1HH2 ARG 18 -18.729 12.313 8.796 130 H PHE 19 H PHE 19 -10.643 7.773 7.176 131 HA PHE 19 HA PHE 19 -9.227 9.147 4.998 132 1HB PHE 19 2HB PHE 19 -8.315 8.489 7.808 133 2HB PHE 19 1HB PHE 19 -7.346 9.324 6.605 134 HD1 PHE 19 1HD PHE 19 -7.507 10.639 9.048 135 HD2 PHE 19 2HD PHE 19 -10.422 10.596 5.949 136 HE1 PHE 19 1HE PHE 19 -8.397 12.785 9.859 137 HE2 PHE 19 2HE PHE 19 -11.315 12.739 6.750 138 HZ PHE 19 HZ PHE 19 -10.302 13.840 8.709 139 H LEU 20 H LEU 20 -7.946 7.997 3.656 140 HA LEU 20 HA LEU 20 -6.747 5.532 4.508 141 1HB LEU 20 2HB LEU 20 -7.817 4.028 3.048 142 2HB LEU 20 1HB LEU 20 -9.074 4.875 3.910 143 HG LEU 20 HG LEU 20 -10.061 4.945 1.901 144 1HD1 LEU 20 1HD1 LEU 20 -10.052 7.015 1.100 145 2HD1 LEU 20 2HD1 LEU 20 -8.793 7.340 2.293 146 3HD1 LEU 20 3HD1 LEU 20 -8.350 6.925 0.634 147 1HD2 LEU 20 1HD2 LEU 20 -7.724 3.727 1.113 148 2HD2 LEU 20 2HD2 LEU 20 -9.185 3.932 0.146 149 3HD2 LEU 20 3HD2 LEU 20 -7.873 5.103 0.019 150 H LEU 21 H LEU 21 -5.684 4.432 2.479 151 HA LEU 21 HA LEU 21 -4.536 6.546 0.776 152 1HB LEU 21 2HB LEU 21 -3.191 5.490 2.851 153 2HB LEU 21 1HB LEU 21 -2.804 4.296 1.627 154 HG LEU 21 HG LEU 21 -2.424 7.026 0.679 155 1HD1 LEU 21 1HD1 LEU 21 -0.902 6.068 3.095 156 2HD1 LEU 21 2HD1 LEU 21 -0.327 7.340 2.017 157 3HD1 LEU 21 3HD1 LEU 21 -1.826 7.561 2.921 158 1HD2 LEU 21 1HD2 LEU 21 -0.496 4.727 0.932 159 2HD2 LEU 21 2HD2 LEU 21 -1.641 4.915 -0.397 160 3HD2 LEU 21 3HD2 LEU 21 -0.377 6.118 -0.147 161 H TYR 22 H TYR 22 -3.550 5.742 -1.184 162 HA TYR 22 HA TYR 22 -4.513 3.105 -2.054 163 1HB TYR 22 2HB TYR 22 -4.303 5.429 -3.956 164 2HB TYR 22 1HB TYR 22 -5.190 3.926 -4.155 165 HD1 TYR 22 1HD TYR 22 -7.420 3.677 -3.294 166 HD2 TYR 22 2HD TYR 22 -5.254 7.276 -2.601 167 HE1 TYR 22 1HE TYR 22 -9.503 4.805 -2.645 168 HE2 TYR 22 2HE TYR 22 -7.330 8.405 -1.949 169 HH TYR 22 HH TYR 22 -9.540 7.914 -1.166 170 H ALA 23 H ALA 23 -2.874 1.856 -2.794 171 HA ALA 23 HA ALA 23 -0.577 3.102 -4.058 172 1HB ALA 23 1HB ALA 23 -0.348 1.603 -1.456 173 2HB ALA 23 2HB ALA 23 1.019 1.932 -2.520 174 3HB ALA 23 3HB ALA 23 0.131 3.268 -1.789 175 H MET 24 H MET 24 0.048 1.925 -5.706 176 HA MET 24 HA MET 24 0.384 0.187 -7.122 177 1HB MET 24 2HB MET 24 0.779 -0.951 -4.462 178 2HB MET 24 1HB MET 24 0.288 -2.152 -5.645 179 1HG MET 24 2HG MET 24 2.744 -0.453 -5.560 180 2HG MET 24 1HG MET 24 2.598 -2.197 -5.767 181 1HE MET 24 1HE MET 24 4.358 -0.086 -7.153 182 2HE MET 24 2HE MET 24 4.588 -1.539 -8.124 183 3HE MET 24 3HE MET 24 4.144 -0.021 -8.901 184 H ASP 25 H ASP 25 -2.220 1.146 -6.748 185 HA ASP 25 HA ASP 25 -4.357 0.741 -7.344 186 1HB ASP 25 2HB ASP 25 -2.897 -1.384 -8.707 187 2HB ASP 25 1HB ASP 25 -4.568 -1.815 -8.355 188 H SER 26 H SER 26 -2.943 -0.652 -4.871 189 HA SER 26 HA SER 26 -5.385 -2.057 -4.027 190 1HB SER 26 2HB SER 26 -3.025 -2.348 -2.291 191 2HB SER 26 1HB SER 26 -4.147 -3.575 -2.878 192 HG SER 26 HG SER 26 -2.624 -2.616 -4.898 193 H TYR 27 H TYR 27 -6.295 -1.401 -2.050 194 HA TYR 27 HA TYR 27 -5.543 1.327 -1.372 195 1HB TYR 27 2HB TYR 27 -7.985 -0.287 -0.616 196 2HB TYR 27 1HB TYR 27 -7.706 1.389 -0.161 197 HD1 TYR 27 1HD TYR 27 -6.350 1.316 -3.309 198 HD2 TYR 27 2HD TYR 27 -10.144 0.987 -1.408 199 HE1 TYR 27 1HE TYR 27 -7.456 2.016 -5.392 200 HE2 TYR 27 2HE TYR 27 -11.253 1.692 -3.481 201 HH TYR 27 HH TYR 27 -10.946 1.945 -5.731 202 H TRP 28 H TRP 28 -5.395 1.967 0.852 203 HA TRP 28 HA TRP 28 -4.479 -0.153 2.670 204 1HB TRP 28 2HB TRP 28 -2.926 2.273 1.734 205 2HB TRP 28 1HB TRP 28 -2.488 1.353 3.164 206 HD1 TRP 28 HD TRP 28 -2.731 0.899 -0.677 207 HE1 TRP 28 1HE TRP 28 -0.992 -0.878 -1.379 208 HE3 TRP 28 3HE TRP 28 -1.129 -0.513 3.962 209 HZ2 TRP 28 2HZ TRP 28 0.806 -2.639 -0.107 210 HZ3 TRP 28 3HZ TRP 28 0.599 -2.254 4.136 211 HH2 TRP 28 HH TRP 28 1.546 -3.296 2.144 212 H HIS 29 H HIS 29 -4.098 0.676 4.854 213 HA HIS 29 HA HIS 29 -5.882 2.893 5.582 214 1HB HIS 29 2HB HIS 29 -4.499 0.725 7.140 215 2HB HIS 29 1HB HIS 29 -4.977 2.209 7.951 216 HD2 HIS 29 2HD HIS 29 -7.888 2.721 7.547 217 HE1 HIS 29 1HE HIS 29 -8.588 -1.456 7.620 218 HE2 HIS 29 2HE HIS 29 -9.643 0.838 7.923 219 H SER 30 H SER 30 -4.925 4.617 6.952 220 HA SER 30 HA SER 30 -2.570 5.649 5.831 221 1HB SER 30 2HB SER 30 -3.171 6.625 8.537 222 2HB SER 30 1HB SER 30 -3.081 7.510 7.014 223 HG SER 30 HG SER 30 -5.195 7.564 7.775 224 H ARG 31 H ARG 31 -3.137 4.116 8.984 225 HA ARG 31 HA ARG 31 -0.357 4.164 9.693 226 1HB ARG 31 2HB ARG 31 -2.144 4.289 11.376 227 2HB ARG 31 1HB ARG 31 -2.677 2.673 10.937 228 1HG ARG 31 2HG ARG 31 0.056 2.456 11.547 229 2HG ARG 31 1HG ARG 31 -0.661 3.476 12.799 230 1HD ARG 31 2HD ARG 31 -0.731 1.076 13.368 231 2HD ARG 31 1HD ARG 31 -2.334 1.802 13.265 232 HE ARG 31 HE ARG 31 -2.677 0.674 11.195 233 1HH1 ARG 31 2HH1 ARG 31 0.242 -0.263 12.890 234 2HH1 ARG 31 1HH1 ARG 31 0.438 -1.743 11.991 235 1HH2 ARG 31 2HH2 ARG 31 -2.416 -1.254 10.009 236 2HH2 ARG 31 1HH2 ARG 31 -1.082 -2.308 10.370 237 H CYS 32 H CYS 32 -2.347 2.053 7.871 238 HA CYS 32 HA CYS 32 -0.764 -0.313 8.298 239 1HB CYS 32 2HB CYS 32 -3.039 0.392 6.471 240 2HB CYS 32 1HB CYS 32 -2.117 -1.083 6.214 241 H LEU 33 H LEU 33 -0.771 2.379 6.093 242 HA LEU 33 HA LEU 33 1.124 1.119 4.295 243 1HB LEU 33 2HB LEU 33 -0.680 3.053 3.848 244 2HB LEU 33 1HB LEU 33 0.702 4.057 4.239 245 HG LEU 33 HG LEU 33 0.076 3.070 1.743 246 1HD1 LEU 33 1HD1 LEU 33 2.517 4.243 2.981 247 2HD1 LEU 33 2HD1 LEU 33 2.559 3.712 1.299 248 3HD1 LEU 33 3HD1 LEU 33 1.400 4.939 1.808 249 1HD2 LEU 33 1HD2 LEU 33 1.965 1.561 1.184 250 2HD2 LEU 33 2HD2 LEU 33 2.297 1.401 2.908 251 3HD2 LEU 33 3HD2 LEU 33 0.767 0.827 2.250 252 H LYS 34 H LYS 34 2.509 0.616 6.137 253 HA LYS 34 HA LYS 34 4.229 2.882 6.902 254 1HB LYS 34 2HB LYS 34 4.538 1.919 9.031 255 2HB LYS 34 1HB LYS 34 2.822 1.715 8.710 256 1HG LYS 34 2HG LYS 34 4.474 -0.539 7.839 257 2HG LYS 34 1HG LYS 34 4.503 -0.243 9.577 258 1HD LYS 34 2HD LYS 34 2.239 -0.650 9.816 259 2HD LYS 34 1HD LYS 34 1.892 -0.283 8.124 260 1HE LYS 34 2HE LYS 34 3.678 -2.479 8.176 261 2HE LYS 34 1HE LYS 34 2.401 -2.811 9.344 262 1HZ LYS 34 1HZ LYS 34 1.916 -3.609 7.074 263 2HZ LYS 34 2HZ LYS 34 1.919 -2.005 6.529 264 3HZ LYS 34 3HZ LYS 34 0.756 -2.514 7.653 265 H CYS 35 H CYS 35 6.476 2.156 7.490 266 HA CYS 35 HA CYS 35 7.646 0.709 5.340 267 1HB CYS 35 2HB CYS 35 8.770 2.546 6.637 268 2HB CYS 35 1HB CYS 35 8.895 1.436 8.000 269 H SER 36 H SER 36 8.446 -1.359 5.296 270 HA SER 36 HA SER 36 7.303 -3.261 7.116 271 1HB SER 36 2HB SER 36 9.480 -3.811 5.096 272 2HB SER 36 1HB SER 36 8.283 -4.936 5.736 273 HG SER 36 HG SER 36 7.759 -2.683 4.075 274 H SER 37 H SER 37 10.010 -1.292 7.211 275 HA SER 37 HA SER 37 11.374 -3.101 9.088 276 1HB SER 37 2HB SER 37 12.923 -0.801 8.180 277 2HB SER 37 1HB SER 37 13.340 -2.514 8.166 278 HG SER 37 HG SER 37 12.074 -0.965 6.203 279 H CYS 38 H CYS 38 10.527 0.315 8.533 280 HA CYS 38 HA CYS 38 11.274 1.062 11.214 281 1HB CYS 38 2HB CYS 38 9.824 2.577 9.035 282 2HB CYS 38 1HB CYS 38 10.330 3.278 10.566 283 H GLN 39 H GLN 39 8.345 0.261 9.495 284 HA GLN 39 HA GLN 39 6.191 -0.063 10.121 285 1HB GLN 39 2HB GLN 39 7.189 0.050 12.972 286 2HB GLN 39 1HB GLN 39 5.621 -0.537 12.438 287 1HG GLN 39 2HG GLN 39 8.274 -1.767 11.731 288 2HG GLN 39 1HG GLN 39 7.175 -2.350 12.979 289 1HE2 GLN 39 1HE2 GLN 39 8.108 -3.837 10.765 290 2HE2 GLN 39 2HE2 GLN 39 6.736 -4.239 9.782 291 H ALA 40 H ALA 40 7.573 2.574 9.953 292 HA ALA 40 HA ALA 40 5.747 4.244 11.488 293 1HB ALA 40 1HB ALA 40 8.456 4.626 10.379 294 2HB ALA 40 2HB ALA 40 7.372 6.011 10.275 295 3HB ALA 40 3HB ALA 40 7.726 5.285 11.842 296 H GLN 41 H GLN 41 4.233 5.345 10.518 297 HA GLN 41 HA GLN 41 3.178 4.606 8.081 298 1HB GLN 41 2HB GLN 41 1.873 5.755 9.791 299 2HB GLN 41 1HB GLN 41 2.816 7.218 9.560 300 1HG GLN 41 2HG GLN 41 1.938 7.486 7.333 301 2HG GLN 41 1HG GLN 41 1.077 5.954 7.455 302 1HE2 GLN 41 1HE2 GLN 41 0.289 6.418 10.233 303 2HE2 GLN 41 2HE2 GLN 41 -0.965 7.616 10.179 304 H LEU 42 H LEU 42 3.740 4.974 6.047 305 HA LEU 42 HA LEU 42 5.933 6.678 5.407 306 1HB LEU 42 2HB LEU 42 4.257 4.723 4.042 307 2HB LEU 42 1HB LEU 42 4.672 6.080 3.014 308 HG LEU 42 HG LEU 42 6.712 5.273 2.653 309 1HD1 LEU 42 1HD1 LEU 42 7.124 4.647 5.566 310 2HD1 LEU 42 2HD1 LEU 42 8.347 4.930 4.324 311 3HD1 LEU 42 3HD1 LEU 42 7.332 6.261 4.882 312 1HD2 LEU 42 1HD2 LEU 42 5.605 2.978 4.241 313 2HD2 LEU 42 2HD2 LEU 42 5.706 3.157 2.488 314 3HD2 LEU 42 3HD2 LEU 42 7.175 2.913 3.436 315 H GLY 43 H GLY 43 2.476 7.000 5.342 316 1HA GLY 43 1HA GLY 43 2.489 9.453 3.808 317 2HA GLY 43 2HA GLY 43 1.104 8.730 4.613 318 H ASP 44 H ASP 44 3.483 8.773 6.858 319 HA ASP 44 HA ASP 44 2.368 11.122 8.158 320 1HB ASP 44 2HB ASP 44 2.838 8.871 9.302 321 2HB ASP 44 1HB ASP 44 4.536 9.327 9.243 322 H ILE 45 H ILE 45 5.028 10.298 6.232 323 HA ILE 45 HA ILE 45 6.547 12.650 7.137 324 HB ILE 45 HB ILE 45 8.503 11.732 6.185 325 1HG1 ILE 45 2HG1 ILE 45 6.813 9.568 4.900 326 1HG2 ILE 45 1HG2 ILE 45 8.053 9.131 7.009 327 2HG2 ILE 45 2HG2 ILE 45 8.586 10.475 8.020 328 3HG2 ILE 45 3HG2 ILE 45 6.871 10.074 7.917 329 1HD1 ILE 45 1HD1 ILE 45 9.344 9.202 5.535 330 2HD1 ILE 45 2HD1 ILE 45 8.682 8.643 3.998 331 3HD1 ILE 45 3HD1 ILE 45 9.598 10.148 4.068 332 H GLY 46 H GLY 46 4.157 12.160 5.186 333 1HA GLY 46 1HA GLY 46 3.587 13.917 3.580 334 2HA GLY 46 2HA GLY 46 5.247 13.815 2.997 335 H THR 47 H THR 47 4.695 13.286 0.875 336 HA THR 47 HA THR 47 3.354 10.678 0.541 337 HB THR 47 HB THR 47 3.769 11.796 -1.991 338 HG1 THR 47 1HG THR 47 4.182 13.806 -0.746 339 1HG2 THR 47 1HG2 THR 47 1.346 11.715 -0.197 340 2HG2 THR 47 2HG2 THR 47 1.795 10.570 -1.462 341 3HG2 THR 47 3HG2 THR 47 1.280 12.202 -1.891 342 H SER 48 H SER 48 5.007 9.211 0.784 343 HA SER 48 HA SER 48 6.916 9.013 -1.335 344 1HB SER 48 2HB SER 48 8.656 8.797 0.851 345 2HB SER 48 1HB SER 48 8.630 10.092 -0.347 346 HG SER 48 HG SER 48 6.756 10.336 1.660 347 H SER 49 H SER 49 7.643 6.921 -1.588 348 HA SER 49 HA SER 49 7.803 5.019 0.451 349 1HB SER 49 2HB SER 49 5.892 3.525 -0.238 350 2HB SER 49 1HB SER 49 5.401 5.006 0.580 351 HG SER 49 HG SER 49 5.485 4.685 -2.237 352 H TYR 50 H TYR 50 8.643 3.086 -0.234 353 HA TYR 50 HA TYR 50 9.118 2.816 -3.133 354 1HB TYR 50 2HB TYR 50 10.934 2.430 -0.801 355 2HB TYR 50 1HB TYR 50 11.099 1.321 -2.157 356 HD1 TYR 50 1HD TYR 50 11.268 2.480 -4.522 357 HD2 TYR 50 2HD TYR 50 12.135 4.398 -0.828 358 HE1 TYR 50 1HE TYR 50 12.666 4.116 -5.708 359 HE2 TYR 50 2HE TYR 50 13.520 6.050 -2.003 360 HH TYR 50 HH TYR 50 13.859 6.963 -4.187 361 H THR 51 H THR 51 8.728 0.802 -4.022 362 HA THR 51 HA THR 51 7.867 -1.325 -2.193 363 HB THR 51 HB THR 51 6.277 -0.653 -4.668 364 HG1 THR 51 1HG THR 51 6.305 0.600 -2.260 365 1HG2 THR 51 1HG2 THR 51 5.353 -2.181 -2.254 366 2HG2 THR 51 2HG2 THR 51 6.257 -2.977 -3.542 367 3HG2 THR 51 3HG2 THR 51 4.711 -2.207 -3.897 368 H LYS 52 H LYS 52 9.445 -2.731 -2.584 369 HA LYS 52 HA LYS 52 9.675 -3.806 -5.295 370 1HB LYS 52 2HB LYS 52 11.896 -2.625 -3.660 371 2HB LYS 52 1HB LYS 52 12.235 -3.956 -4.758 372 1HG LYS 52 2HG LYS 52 10.690 -2.006 -6.137 373 2HG LYS 52 1HG LYS 52 12.049 -1.208 -5.345 374 1HD LYS 52 2HD LYS 52 13.189 -3.477 -6.390 375 2HD LYS 52 1HD LYS 52 12.006 -3.026 -7.613 376 1HE LYS 52 2HE LYS 52 13.672 -0.854 -6.514 377 2HE LYS 52 1HE LYS 52 14.485 -2.032 -7.541 378 1HZ LYS 52 1HZ LYS 52 13.724 -0.256 -8.897 379 2HZ LYS 52 2HZ LYS 52 12.154 -0.335 -8.257 380 3HZ LYS 52 3HZ LYS 52 12.739 -1.597 -9.233 381 H SER 53 H SER 53 9.870 -5.986 -5.323 382 HA SER 53 HA SER 53 9.945 -8.156 -4.580 383 1HB SER 53 2HB SER 53 10.935 -7.087 -1.924 384 2HB SER 53 1HB SER 53 11.040 -8.751 -2.507 385 HG SER 53 HG SER 53 12.178 -7.000 -4.253 386 H GLY 54 H GLY 54 7.873 -5.933 -3.887 387 1HA GLY 54 1HA GLY 54 5.712 -6.026 -2.998 388 2HA GLY 54 2HA GLY 54 6.081 -7.614 -2.328 389 H MET 55 H MET 55 8.634 -5.745 -1.612 390 HA MET 55 HA MET 55 7.771 -5.355 1.134 391 1HB MET 55 2HB MET 55 10.322 -5.682 -0.267 392 2HB MET 55 1HB MET 55 10.363 -4.417 0.953 393 1HG MET 55 2HG MET 55 10.523 -5.911 2.566 394 2HG MET 55 1HG MET 55 9.065 -6.733 2.013 395 1HE MET 55 1HE MET 55 13.387 -7.394 1.157 396 2HE MET 55 2HE MET 55 12.660 -7.024 -0.407 397 3HE MET 55 3HE MET 55 12.487 -5.892 0.936 398 H ILE 56 H ILE 56 7.031 -3.517 1.806 399 HA ILE 56 HA ILE 56 7.451 -1.092 0.211 400 HB ILE 56 HB ILE 56 5.507 -1.586 2.478 401 1HG1 ILE 56 2HG1 ILE 56 4.097 -1.036 0.143 402 1HG2 ILE 56 1HG2 ILE 56 6.246 0.769 2.272 403 2HG2 ILE 56 2HG2 ILE 56 5.671 0.770 0.604 404 3HG2 ILE 56 3HG2 ILE 56 4.531 0.547 1.931 405 1HD1 ILE 56 1HD1 ILE 56 4.506 -3.884 0.637 406 2HD1 ILE 56 2HD1 ILE 56 4.009 -2.956 2.051 407 3HD1 ILE 56 3HD1 ILE 56 3.020 -2.935 0.589 408 H LEU 57 H LEU 57 9.103 0.123 0.799 409 HA LEU 57 HA LEU 57 9.770 0.297 3.664 410 1HB LEU 57 2HB LEU 57 11.855 0.656 1.552 411 2HB LEU 57 1HB LEU 57 12.049 0.192 3.230 412 HG LEU 57 HG LEU 57 10.618 -1.710 1.449 413 1HD1 LEU 57 1HD1 LEU 57 12.258 -1.836 -0.045 414 2HD1 LEU 57 2HD1 LEU 57 13.255 -0.701 0.863 415 3HD1 LEU 57 3HD1 LEU 57 13.303 -2.423 1.247 416 1HD2 LEU 57 1HD2 LEU 57 10.784 -2.512 3.602 417 2HD2 LEU 57 2HD2 LEU 57 12.210 -3.228 2.850 418 3HD2 LEU 57 3HD2 LEU 57 12.374 -1.792 3.862 419 H CYS 58 H CYS 58 11.325 2.231 3.983 420 HA CYS 58 HA CYS 58 9.991 4.593 2.986 421 1HB CYS 58 2HB CYS 58 11.603 5.771 4.519 422 2HB CYS 58 1HB CYS 58 10.550 4.616 5.325 423 H ARG 59 H ARG 59 11.686 6.452 2.488 424 HA ARG 59 HA ARG 59 12.988 5.721 0.064 425 1HB ARG 59 2HB ARG 59 12.213 7.922 0.078 426 2HB ARG 59 1HB ARG 59 12.789 8.222 1.711 427 1HG ARG 59 2HG ARG 59 14.376 9.395 0.644 428 2HG ARG 59 1HG ARG 59 15.132 7.812 0.449 429 1HD ARG 59 2HD ARG 59 15.013 9.177 -1.644 430 2HD ARG 59 1HD ARG 59 14.264 7.584 -1.759 431 HE ARG 59 HE ARG 59 12.101 8.875 -1.290 432 1HH1 ARG 59 2HH1 ARG 59 14.829 10.173 -3.058 433 2HH1 ARG 59 1HH1 ARG 59 13.850 11.208 -4.057 434 1HH2 ARG 59 2HH2 ARG 59 10.830 10.273 -2.526 435 2HH2 ARG 59 1HH2 ARG 59 11.576 11.302 -3.726 436 H ASN 60 H ASN 60 14.007 6.347 3.351 437 HA ASN 60 HA ASN 60 16.804 6.248 2.841 438 1HB ASN 60 2HB ASN 60 16.580 7.272 4.842 439 2HB ASN 60 1HB ASN 60 15.034 6.501 5.165 440 1HD2 ASN 60 1HD2 ASN 60 14.942 4.794 6.498 441 2HD2 ASN 60 2HD2 ASN 60 16.307 4.109 7.311 442 H ASP 61 H ASP 61 14.468 3.840 4.044 443 HA ASP 61 HA ASP 61 16.417 1.867 4.548 444 1HB ASP 61 2HB ASP 61 13.481 1.977 4.529 445 2HB ASP 61 1HB ASP 61 14.154 0.391 4.165 446 H TYR 62 H TYR 62 14.675 2.704 1.640 447 HA TYR 62 HA TYR 62 15.099 0.313 0.229 448 1HB TYR 62 2HB TYR 62 13.561 1.976 -0.626 449 2HB TYR 62 1HB TYR 62 14.864 3.148 -0.798 450 HD1 TYR 62 1HD TYR 62 16.424 3.011 -2.639 451 HD2 TYR 62 2HD TYR 62 13.329 0.121 -2.213 452 HE1 TYR 62 1HE TYR 62 16.839 2.242 -4.931 453 HE2 TYR 62 2HE TYR 62 13.729 -0.658 -4.517 454 HH TYR 62 HH TYR 62 16.420 -0.083 -6.199 455 H ILE 63 H ILE 63 17.127 3.186 0.626 456 HA ILE 63 HA ILE 63 19.160 2.266 -1.167 457 HB ILE 63 HB ILE 63 19.736 4.244 1.007 458 1HG1 ILE 63 2HG1 ILE 63 17.487 4.789 0.046 459 1HG2 ILE 63 1HG2 ILE 63 21.034 5.303 -0.835 460 2HG2 ILE 63 2HG2 ILE 63 21.565 3.673 -0.423 461 3HG2 ILE 63 3HG2 ILE 63 20.589 3.943 -1.865 462 1HD1 ILE 63 1HD1 ILE 63 18.809 5.612 -2.488 463 2HD1 ILE 63 2HD1 ILE 63 18.199 3.968 -2.318 464 3HD1 ILE 63 3HD1 ILE 63 17.103 5.338 -2.140 465 H ARG 64 H ARG 64 18.319 1.530 2.040 466 HA ARG 64 HA ARG 64 20.984 0.608 2.765 467 1HB ARG 64 2HB ARG 64 18.359 0.457 4.255 468 2HB ARG 64 1HB ARG 64 19.913 -0.052 4.900 469 1HG ARG 64 2HG ARG 64 20.596 2.419 4.304 470 2HG ARG 64 1HG ARG 64 18.855 2.684 4.424 471 1HD ARG 64 2HD ARG 64 19.289 2.982 6.610 472 2HD ARG 64 1HD ARG 64 19.297 1.219 6.655 473 HE ARG 64 HE ARG 64 21.764 1.389 6.354 474 1HH1 ARG 64 2HH1 ARG 64 19.943 4.021 7.785 475 2HH1 ARG 64 1HH1 ARG 64 21.309 4.667 8.644 476 1HH2 ARG 64 2HH2 ARG 64 23.571 2.248 7.472 477 2HH2 ARG 64 1HH2 ARG 64 23.376 3.685 8.439 478 H LEU 65 H LEU 65 17.848 -0.676 1.839 479 HA LEU 65 HA LEU 65 18.733 -3.404 2.237 480 1HB LEU 65 2HB LEU 65 16.336 -2.225 2.532 481 2HB LEU 65 1HB LEU 65 16.155 -2.840 0.901 482 HG LEU 65 HG LEU 65 16.371 -5.085 1.598 483 1HD1 LEU 65 1HD1 LEU 65 17.946 -3.956 3.709 484 2HD1 LEU 65 2HD1 LEU 65 16.716 -5.025 4.382 485 3HD1 LEU 65 3HD1 LEU 65 17.841 -5.631 3.166 486 1HD2 LEU 65 1HD2 LEU 65 14.202 -4.108 2.101 487 2HD2 LEU 65 2HD2 LEU 65 14.633 -5.322 3.307 488 3HD2 LEU 65 3HD2 LEU 65 14.781 -3.606 3.691 489 H PHE 66 H PHE 66 17.865 -1.322 -0.502 490 HA PHE 66 HA PHE 66 18.737 -3.466 -2.325 491 1HB PHE 66 2HB PHE 66 16.970 -1.056 -2.786 492 2HB PHE 66 1HB PHE 66 17.550 -2.094 -4.081 493 HD1 PHE 66 1HD PHE 66 15.584 -2.158 -0.922 494 HD2 PHE 66 2HD PHE 66 16.364 -3.989 -4.683 495 HE1 PHE 66 1HE PHE 66 13.655 -3.648 -0.591 496 HE2 PHE 66 2HE PHE 66 14.440 -5.486 -4.355 497 HZ PHE 66 HZ PHE 66 13.083 -5.316 -2.308 498 H GLY 67 H GLY 67 19.034 -0.003 -1.664 499 1HA GLY 67 1HA GLY 67 20.732 1.476 -2.089 500 2HA GLY 67 2HA GLY 67 21.783 0.085 -2.314 501 H ASN 68 H ASN 68 22.774 0.161 -4.178 502 HA ASN 68 HA ASN 68 23.180 0.231 -6.402 503 1HB ASN 68 2HB ASN 68 20.846 -0.844 -6.538 504 2HB ASN 68 1HB ASN 68 20.277 0.761 -6.986 505 1HD2 ASN 68 1HD2 ASN 68 20.595 -1.910 -8.394 506 2HD2 ASN 68 2HD2 ASN 68 21.372 -1.497 -9.889 507 H SER 69 H SER 69 20.615 2.616 -5.713 508 HA SER 69 HA SER 69 22.296 4.609 -7.081 509 1HB SER 69 2HB SER 69 19.306 4.775 -6.708 510 2HB SER 69 1HB SER 69 20.317 5.695 -7.828 511 HG SER 69 HG SER 69 20.820 3.519 -8.753 512 H GLY 70 H GLY 70 23.122 6.159 -5.865 513 1HA GLY 70 1HA GLY 70 21.744 6.850 -3.333 514 2HA GLY 70 2HA GLY 70 23.497 6.837 -3.503 515 H ALA 71 H ALA 71 22.649 7.894 -6.356 516 HA ALA 71 HA ALA 71 22.603 9.861 -7.463 517 1HB ALA 71 1HB ALA 71 20.962 11.320 -6.945 518 2HB ALA 71 2HB ALA 71 20.494 10.040 -5.828 519 3HB ALA 71 3HB ALA 71 21.428 11.419 -5.247 520 H GLY 72 H GLY 72 24.886 9.872 -7.353 521 1HA GLY 72 1HA GLY 72 26.665 11.462 -7.255 522 2HA GLY 72 2HA GLY 72 25.917 12.168 -5.829 523 H GLY 73 H GLY 73 26.189 11.210 -3.836 524 1HA GLY 73 1HA GLY 73 28.201 9.048 -3.735 525 2HA GLY 73 2HA GLY 73 28.019 10.262 -2.473 526 H SER 74 H SER 74 27.850 7.407 -2.120 527 HA SER 74 HA SER 74 25.001 7.155 -1.420 528 1HB SER 74 2HB SER 74 26.460 4.641 -1.472 529 2HB SER 74 1HB SER 74 24.979 5.096 -2.315 530 HG SER 74 HG SER 74 26.335 6.182 -3.866 531 H GLY 75 H GLY 75 28.244 6.081 -0.410 532 1HA GLY 75 1HA GLY 75 27.438 5.237 2.170 533 2HA GLY 75 2HA GLY 75 29.087 5.564 1.660 534 H GLY 76 H GLY 76 29.056 8.216 1.087 535 1HA GLY 76 1HA GLY 76 28.982 9.352 3.737 536 2HA GLY 76 2HA GLY 76 29.507 10.159 2.268 537 H HIS 77 H HIS 77 26.704 9.013 1.321 538 HA HIS 77 HA HIS 77 25.311 11.507 1.804 539 1HB HIS 77 2HB HIS 77 25.437 9.987 -0.382 540 2HB HIS 77 1HB HIS 77 24.038 9.225 0.363 541 HD1 HIS 77 1HD HIS 77 23.108 10.308 -2.054 542 HD2 HIS 77 2HD HIS 77 23.744 12.851 1.177 543 HE1 HIS 77 1HE HIS 77 21.751 12.371 -2.533 544 HE2 HIS 77 2HE HIS 77 22.015 13.819 -0.485 545 H MET 78 H MET 78 25.585 8.584 3.359 546 HA MET 78 HA MET 78 24.447 7.504 4.997 547 1HB MET 78 2HB MET 78 24.201 10.099 5.643 548 2HB MET 78 1HB MET 78 22.505 9.720 5.382 549 1HG MET 78 2HG MET 78 22.860 7.768 6.973 550 2HG MET 78 1HG MET 78 24.389 8.543 7.397 551 1HE MET 78 1HE MET 78 21.570 8.864 10.159 552 2HE MET 78 2HE MET 78 20.529 8.615 8.757 553 3HE MET 78 3HE MET 78 21.967 7.615 8.977 554 H GLY 79 H GLY 79 23.685 7.162 2.308 555 1HA GLY 79 1HA GLY 79 21.965 5.664 1.521 556 2HA GLY 79 2HA GLY 79 20.844 6.461 2.619 557 H SER 80 H SER 80 19.667 8.115 1.893 558 HA SER 80 HA SER 80 20.391 9.270 -0.721 559 1HB SER 80 2HB SER 80 17.743 9.734 -0.639 560 2HB SER 80 1HB SER 80 18.426 8.256 -1.318 561 HG SER 80 HG SER 80 17.605 7.150 0.277 562 H GLY 81 H GLY 81 19.308 9.787 2.543 563 1HA GLY 81 1HA GLY 81 19.867 11.832 3.691 564 2HA GLY 81 2HA GLY 81 19.671 12.689 2.165 565 H GLY 82 H GLY 82 17.319 10.342 2.555 566 1HA GLY 82 1HA GLY 82 15.173 10.428 3.567 567 2HA GLY 82 2HA GLY 82 15.433 12.130 3.912 568 H ASP 83 H ASP 83 13.249 12.341 2.986 569 HA ASP 83 HA ASP 83 13.143 12.088 0.074 570 1HB ASP 83 2HB ASP 83 11.075 11.406 0.743 571 2HB ASP 83 1HB ASP 83 11.144 12.328 2.242 572 H VAL 84 H VAL 84 13.257 13.768 -1.283 573 HA VAL 84 HA VAL 84 14.362 16.186 -0.333 574 HB VAL 84 HB VAL 84 14.145 16.926 -2.751 575 1HG1 VAL 84 1HG1 VAL 84 15.561 14.338 -2.123 576 2HG1 VAL 84 2HG1 VAL 84 15.896 15.370 -3.513 577 3HG1 VAL 84 3HG1 VAL 84 16.189 15.967 -1.880 578 1HG2 VAL 84 1HG2 VAL 84 12.963 15.749 -4.230 579 2HG2 VAL 84 2HG2 VAL 84 13.732 14.241 -3.740 580 3HG2 VAL 84 3HG2 VAL 84 12.317 14.831 -2.871 581 H MET 85 H MET 85 11.098 15.238 -0.850 582 HA MET 85 HA MET 85 10.073 17.853 -1.418 583 1HB MET 85 2HB MET 85 9.042 15.346 -1.631 584 2HB MET 85 1HB MET 85 8.244 15.911 -0.169 585 1HG MET 85 2HG MET 85 7.312 17.785 -1.330 586 2HG MET 85 1HG MET 85 8.242 17.407 -2.778 587 1HE MET 85 1HE MET 85 7.895 15.765 -4.345 588 2HE MET 85 2HE MET 85 6.416 14.846 -4.626 589 3HE MET 85 3HE MET 85 6.410 16.601 -4.802 590 H VAL 86 H VAL 86 10.746 16.021 1.483 591 HA VAL 86 HA VAL 86 9.324 17.810 3.221 592 HB VAL 86 HB VAL 86 10.141 15.301 3.606 593 1HG1 VAL 86 1HG1 VAL 86 12.024 15.219 5.176 594 2HG1 VAL 86 2HG1 VAL 86 12.523 15.783 3.583 595 3HG1 VAL 86 3HG1 VAL 86 12.321 16.935 4.903 596 1HG2 VAL 86 1HG2 VAL 86 8.831 15.724 5.340 597 2HG2 VAL 86 2HG2 VAL 86 10.239 16.359 6.192 598 3HG2 VAL 86 3HG2 VAL 86 9.206 17.446 5.266 599 H VAL 87 H VAL 87 12.481 17.668 1.821 600 HA VAL 87 HA VAL 87 13.634 19.645 3.594 601 HB VAL 87 HB VAL 87 14.737 18.702 0.943 602 1HG1 VAL 87 1HG1 VAL 87 16.907 19.236 2.238 603 2HG1 VAL 87 2HG1 VAL 87 15.960 20.566 1.575 604 3HG1 VAL 87 3HG1 VAL 87 15.856 20.179 3.292 605 1HG2 VAL 87 1HG2 VAL 87 16.087 17.442 3.069 606 2HG2 VAL 87 2HG2 VAL 87 14.362 17.204 3.350 607 3HG2 VAL 87 3HG2 VAL 87 15.085 16.695 1.824 608 H GLY 88 H GLY 88 12.654 19.483 0.184 609 1HA GLY 88 1HA GLY 88 11.288 21.469 -0.555 610 2HA GLY 88 2HA GLY 88 12.572 22.436 0.162 611 H GLU 89 H GLU 89 11.814 22.696 -2.490 612 HA GLU 89 HA GLU 89 12.635 22.829 -4.597 613 1HB GLU 89 2HB GLU 89 15.209 22.374 -3.088 614 2HB GLU 89 1HB GLU 89 15.159 22.719 -4.811 615 1HG GLU 89 2HG GLU 89 15.455 24.826 -4.063 616 2HG GLU 89 1HG GLU 89 13.696 24.768 -3.959 617 HA PRO 90 HA PRO 90 12.772 18.249 -5.151 618 1HB PRO 90 2HB PRO 90 10.353 18.415 -6.675 619 2HB PRO 90 1HB PRO 90 10.582 17.693 -5.081 620 1HG PRO 90 2HG PRO 90 9.083 19.958 -5.586 621 2HG PRO 90 1HG PRO 90 9.772 19.530 -4.011 622 1HD PRO 90 2HD PRO 90 10.776 21.464 -6.060 623 2HD PRO 90 1HD PRO 90 10.789 21.588 -4.287 624 H THR 91 H THR 91 13.950 20.477 -6.699 625 HA THR 91 HA THR 91 13.419 19.908 -9.474 626 HB THR 91 HB THR 91 15.760 21.451 -9.244 627 HG1 THR 91 1HG THR 91 14.315 23.055 -7.745 628 1HG2 THR 91 1HG2 THR 91 12.876 22.011 -9.828 629 2HG2 THR 91 2HG2 THR 91 14.260 22.034 -10.920 630 3HG2 THR 91 3HG2 THR 91 14.039 23.335 -9.751 631 H LEU 92 H LEU 92 14.023 17.686 -9.590 632 HA LEU 92 HA LEU 92 16.788 16.983 -9.043 633 1HB LEU 92 2HB LEU 92 14.496 15.376 -10.171 634 2HB LEU 92 1HB LEU 92 16.096 14.733 -9.857 635 HG LEU 92 HG LEU 92 15.065 16.001 -7.487 636 1HD1 LEU 92 1HD1 LEU 92 12.877 15.490 -8.476 637 2HD1 LEU 92 2HD1 LEU 92 13.359 13.802 -8.645 638 3HD1 LEU 92 3HD1 LEU 92 13.198 14.517 -7.041 639 1HD2 LEU 92 1HD2 LEU 92 16.849 14.162 -7.894 640 2HD2 LEU 92 2HD2 LEU 92 15.824 14.072 -6.461 641 3HD2 LEU 92 3HD2 LEU 92 15.469 13.064 -7.865 642 H MET 93 H MET 93 18.252 16.268 -10.628 643 HA MET 93 HA MET 93 17.583 17.120 -13.370 644 1HB MET 93 2HB MET 93 19.385 18.397 -11.775 645 2HB MET 93 1HB MET 93 20.427 17.225 -12.571 646 1HG MET 93 2HG MET 93 20.350 18.306 -14.520 647 2HG MET 93 1HG MET 93 18.618 18.605 -14.392 648 1HE MET 93 1HE MET 93 18.726 22.098 -14.640 649 2HE MET 93 2HE MET 93 17.966 20.520 -14.859 650 3HE MET 93 3HE MET 93 17.741 21.407 -13.351 651 H GLY 94 H GLY 94 17.079 14.588 -12.602 652 1HA GLY 94 1HA GLY 94 17.446 12.470 -13.496 653 2HA GLY 94 2HA GLY 94 18.945 13.058 -14.207 654 H GLY 95 H GLY 95 20.545 11.837 -13.469 655 1HA GLY 95 1HA GLY 95 22.129 11.321 -11.807 656 2HA GLY 95 2HA GLY 95 20.917 11.661 -10.578 657 H GLU 96 H GLU 96 22.018 9.554 -9.859 658 HA GLU 96 HA GLU 96 21.500 7.121 -11.137 659 1HB GLU 96 2HB GLU 96 21.876 7.781 -8.219 660 2HB GLU 96 1HB GLU 96 21.748 6.134 -8.824 661 1HG GLU 96 2HG GLU 96 23.798 6.195 -9.830 662 2HG GLU 96 1HG GLU 96 23.766 7.947 -10.044 663 H PHE 97 H PHE 97 19.583 8.935 -8.786 664 HA PHE 97 HA PHE 97 17.226 7.498 -9.690 665 1HB PHE 97 2HB PHE 97 18.457 6.842 -7.239 666 2HB PHE 97 1HB PHE 97 17.040 7.798 -6.828 667 HD1 PHE 97 1HD PHE 97 16.031 6.503 -9.762 668 HD2 PHE 97 2HD PHE 97 17.019 5.171 -5.844 669 HE1 PHE 97 1HE PHE 97 14.603 4.527 -10.078 670 HE2 PHE 97 2HE PHE 97 15.596 3.191 -6.156 671 HZ PHE 97 HZ PHE 97 14.391 2.863 -8.276 672 H GLY 98 H GLY 98 15.988 9.085 -10.388 673 1HA GLY 98 1HA GLY 98 15.912 11.609 -8.860 674 2HA GLY 98 2HA GLY 98 15.418 11.419 -10.540 675 H ASP 99 H ASP 99 14.669 9.468 -7.706 676 HA ASP 99 HA ASP 99 12.744 8.870 -6.676 677 1HB ASP 99 2HB ASP 99 11.667 11.376 -7.986 678 2HB ASP 99 1HB ASP 99 10.750 10.379 -6.863 679 H GLU 100 H GLU 100 13.481 7.977 -9.367 680 HA GLU 100 HA GLU 100 11.332 7.772 -11.106 681 1HB GLU 100 2HB GLU 100 13.851 6.280 -10.681 682 2HB GLU 100 1HB GLU 100 12.610 5.448 -11.605 683 1HG GLU 100 2HG GLU 100 13.895 6.515 -13.211 684 2HG GLU 100 1HG GLU 100 12.493 7.567 -13.023 685 H ASP 101 H ASP 101 12.282 5.537 -8.512 686 HA ASP 101 HA ASP 101 9.865 3.966 -9.006 687 1HB ASP 101 2HB ASP 101 12.497 3.312 -8.246 688 2HB ASP 101 1HB ASP 101 11.497 2.977 -6.837 689 H GLU 102 H GLU 102 10.363 6.655 -7.441 690 HA GLU 102 HA GLU 102 9.097 5.884 -4.919 691 1HB GLU 102 2HB GLU 102 11.079 7.811 -5.628 692 2HB GLU 102 1HB GLU 102 9.685 8.661 -4.973 693 1HG GLU 102 2HG GLU 102 10.597 6.280 -3.494 694 2HG GLU 102 1HG GLU 102 11.656 7.691 -3.462 695 H ARG 103 H ARG 103 7.836 8.077 -4.134 696 HA ARG 103 HA ARG 103 5.877 9.195 -4.205 697 1HB ARG 103 2HB ARG 103 7.125 9.699 -6.780 698 2HB ARG 103 1HB ARG 103 5.372 9.775 -6.885 699 1HG ARG 103 2HG ARG 103 6.764 11.910 -6.317 700 2HG ARG 103 1HG ARG 103 5.228 11.603 -5.510 701 1HD ARG 103 2HD ARG 103 6.281 11.753 -3.560 702 2HD ARG 103 1HD ARG 103 7.175 10.292 -3.977 703 HE ARG 103 HE ARG 103 8.594 12.229 -5.213 704 1HH1 ARG 103 2HH1 ARG 103 7.411 11.915 -1.913 705 2HH1 ARG 103 1HH1 ARG 103 8.773 12.763 -1.228 706 1HH2 ARG 103 2HH2 ARG 103 10.370 13.343 -4.270 707 2HH2 ARG 103 1HH2 ARG 103 10.406 13.577 -2.543 708 H LEU 104 H LEU 104 5.672 6.510 -4.111 709 HA LEU 104 HA LEU 104 3.735 5.608 -6.061 710 1HB LEU 104 2HB LEU 104 5.650 4.370 -4.470 711 2HB LEU 104 1HB LEU 104 4.124 3.882 -3.757 712 HG LEU 104 HG LEU 104 3.869 3.566 -6.561 713 1HD1 LEU 104 1HD1 LEU 104 6.315 2.159 -5.508 714 2HD1 LEU 104 2HD1 LEU 104 5.669 2.133 -7.147 715 3HD1 LEU 104 3HD1 LEU 104 6.382 3.612 -6.505 716 1HD2 LEU 104 1HD2 LEU 104 4.361 1.138 -5.053 717 2HD2 LEU 104 2HD2 LEU 104 3.252 2.228 -4.221 718 3HD2 LEU 104 3HD2 LEU 104 2.895 1.689 -5.861 719 H ILE 105 H ILE 105 3.716 7.154 -3.031 720 HA ILE 105 HA ILE 105 1.270 6.083 -2.026 721 HB ILE 105 HB ILE 105 2.812 8.582 -1.325 722 1HG1 ILE 105 2HG1 ILE 105 2.340 5.924 0.033 723 1HG2 ILE 105 1HG2 ILE 105 1.279 9.064 0.430 724 2HG2 ILE 105 2HG2 ILE 105 0.332 8.895 -1.048 725 3HG2 ILE 105 3HG2 ILE 105 0.368 7.582 0.129 726 1HD1 ILE 105 1HD1 ILE 105 2.664 8.386 1.349 727 2HD1 ILE 105 2HD1 ILE 105 2.747 6.763 2.032 728 3HD1 ILE 105 3HD1 ILE 105 4.210 7.543 1.440 729 H THR 106 H THR 106 -0.685 6.451 -2.692 730 HA THR 106 HA THR 106 -1.327 9.036 -3.942 731 HB THR 106 HB THR 106 -2.562 6.325 -4.512 732 HG1 THR 106 1HG THR 106 -0.443 7.511 -5.556 733 1HG2 THR 106 1HG2 THR 106 -3.231 8.742 -6.111 734 2HG2 THR 106 2HG2 THR 106 -4.005 8.545 -4.541 735 3HG2 THR 106 3HG2 THR 106 -4.195 7.303 -5.780 736 H ARG 107 H ARG 107 -2.225 10.125 -2.226 737 HA ARG 107 HA ARG 107 -4.144 8.589 -0.601 738 1HB ARG 107 2HB ARG 107 -3.555 10.176 1.275 739 2HB ARG 107 1HB ARG 107 -2.303 9.035 0.811 740 1HG ARG 107 2HG ARG 107 -0.977 10.831 0.869 741 2HG ARG 107 1HG ARG 107 -1.646 11.157 -0.730 742 1HD ARG 107 2HD ARG 107 -1.642 13.080 0.944 743 2HD ARG 107 1HD ARG 107 -3.150 12.747 0.095 744 HE ARG 107 HE ARG 107 -4.134 12.130 2.088 745 1HH1 ARG 107 2HH1 ARG 107 -0.673 12.535 2.552 746 2HH1 ARG 107 1HH1 ARG 107 -0.771 12.450 4.284 747 1HH2 ARG 107 2HH2 ARG 107 -4.264 12.048 4.358 748 2HH2 ARG 107 1HH2 ARG 107 -2.803 12.112 5.313 749 H LEU 108 H LEU 108 -6.136 9.210 -0.684 750 HA LEU 108 HA LEU 108 -6.783 12.023 -0.723 751 1HB LEU 108 2HB LEU 108 -7.147 10.312 -3.044 752 2HB LEU 108 1HB LEU 108 -8.678 10.951 -2.479 753 HG LEU 108 HG LEU 108 -8.183 12.670 -3.853 754 1HD1 LEU 108 1HD1 LEU 108 -7.275 14.523 -2.765 755 2HD1 LEU 108 2HD1 LEU 108 -7.870 13.506 -1.453 756 3HD1 LEU 108 3HD1 LEU 108 -6.146 13.540 -1.830 757 1HD2 LEU 108 1HD2 LEU 108 -5.909 11.246 -4.295 758 2HD2 LEU 108 2HD2 LEU 108 -6.313 12.777 -5.076 759 3HD2 LEU 108 3HD2 LEU 108 -5.264 12.759 -3.658 760 H GLU 109 H GLU 109 -7.687 11.932 1.239 761 HA GLU 109 HA GLU 109 -9.473 9.770 1.944 762 1HB GLU 109 2HB GLU 109 -8.757 12.229 3.543 763 2HB GLU 109 1HB GLU 109 -9.483 10.747 4.150 764 1HG GLU 109 2HG GLU 109 -7.400 10.184 4.698 765 2HG GLU 109 1HG GLU 109 -7.215 9.800 2.989 766 H ASN 110 H ASN 110 -11.630 10.111 2.711 767 HA ASN 110 HA ASN 110 -13.176 11.578 0.907 768 1HB ASN 110 2HB ASN 110 -13.771 9.556 2.503 769 2HB ASN 110 1HB ASN 110 -14.316 10.848 3.570 770 1HD2 ASN 110 1HD2 ASN 110 -16.234 9.272 2.937 771 2HD2 ASN 110 2HD2 ASN 110 -17.257 9.903 1.685 772 H THR 111 H THR 111 -13.296 13.676 0.746 773 HA THR 111 HA THR 111 -13.449 15.884 1.220 774 HB THR 111 HB THR 111 -14.550 15.455 3.943 775 HG1 THR 111 1HG THR 111 -15.711 14.420 1.550 776 1HG2 THR 111 1HG2 THR 111 -14.609 17.661 2.943 777 2HG2 THR 111 2HG2 THR 111 -16.253 17.035 3.072 778 3HG2 THR 111 3HG2 THR 111 -15.425 17.026 1.513 779 H GLN 112 H GLN 112 -10.961 14.819 1.740 780 HA GLN 112 HA GLN 112 -10.122 16.338 4.129 781 1HB GLN 112 2HB GLN 112 -9.486 13.663 3.295 782 2HB GLN 112 1HB GLN 112 -8.020 14.633 3.312 783 1HG GLN 112 2HG GLN 112 -9.849 14.765 5.652 784 2HG GLN 112 1HG GLN 112 -8.827 13.347 5.445 785 1HE2 GLN 112 1HE2 GLN 112 -6.475 13.976 4.860 786 2HE2 GLN 112 2HE2 GLN 112 -5.779 15.244 5.825 787 H PHE 113 H PHE 113 -10.486 16.847 1.089 788 HA PHE 113 HA PHE 113 -7.997 17.409 -0.070 789 1HB PHE 113 2HB PHE 113 -10.787 18.426 -0.507 790 2HB PHE 113 1HB PHE 113 -9.442 19.177 -1.356 791 HD1 PHE 113 1HD PHE 113 -8.359 18.086 -3.171 792 HD2 PHE 113 2HD PHE 113 -11.363 16.072 -0.925 793 HE1 PHE 113 1HE PHE 113 -8.472 16.340 -4.897 794 HE2 PHE 113 2HE PHE 113 -11.479 14.319 -2.650 795 HZ PHE 113 HZ PHE 113 -10.031 14.452 -4.638 796 H ASP 114 H ASP 114 -10.194 19.419 1.829 797 HA ASP 114 HA ASP 114 -8.903 21.856 1.632 798 1HB ASP 114 2HB ASP 114 -11.149 21.142 2.798 799 2HB ASP 114 1HB ASP 114 -10.140 21.062 4.237 800 H ALA 115 H ALA 115 -8.256 19.198 3.856 801 HA ALA 115 HA ALA 115 -6.237 20.738 5.251 802 1HB ALA 115 1HB ALA 115 -7.730 18.313 5.754 803 2HB ALA 115 2HB ALA 115 -6.014 18.132 6.131 804 3HB ALA 115 3HB ALA 115 -6.953 19.422 6.886 805 H ALA 116 H ALA 116 -6.384 18.238 2.810 806 HA ALA 116 HA ALA 116 -3.590 17.583 2.970 807 1HB ALA 116 1HB ALA 116 -5.740 16.284 1.967 808 2HB ALA 116 2HB ALA 116 -5.030 16.936 0.488 809 3HB ALA 116 3HB ALA 116 -4.068 15.904 1.548 810 H ASN 117 H ASN 117 -3.171 20.007 2.895 811 HA ASN 117 HA ASN 117 -1.983 21.651 1.873 812 1HB ASN 117 2HB ASN 117 -1.268 19.610 0.328 813 2HB ASN 117 1HB ASN 117 -2.246 20.469 -0.856 814 1HD2 ASN 117 1HD2 ASN 117 0.060 20.366 -1.771 815 2HD2 ASN 117 2HD2 ASN 117 1.036 21.773 -1.469 816 H GLY 118 H GLY 118 -5.114 20.831 1.243 817 1HA GLY 118 1HA GLY 118 -6.930 22.152 0.701 818 2HA GLY 118 2HA GLY 118 -5.829 23.507 0.472 819 H ILE 119 H ILE 119 -4.598 23.563 -1.484 820 HA ILE 119 HA ILE 119 -5.659 21.954 -3.689 821 HB ILE 119 HB ILE 119 -4.709 24.721 -4.299 822 1HG1 ILE 119 2HG1 ILE 119 -7.627 24.499 -4.004 823 1HG2 ILE 119 1HG2 ILE 119 -6.871 23.041 -5.554 824 2HG2 ILE 119 2HG2 ILE 119 -6.108 24.482 -6.224 825 3HG2 ILE 119 3HG2 ILE 119 -5.176 22.997 -6.041 826 1HD1 ILE 119 1HD1 ILE 119 -5.999 26.581 -2.663 827 2HD1 ILE 119 2HD1 ILE 119 -6.080 26.576 -4.425 828 3HD1 ILE 119 3HD1 ILE 119 -7.560 26.706 -3.476 829 H ASP 120 H ASP 120 -3.993 20.622 -4.019 830 HA ASP 120 HA ASP 120 -1.402 21.091 -3.142 831 1HB ASP 120 2HB ASP 120 -2.589 18.876 -3.876 832 2HB ASP 120 1HB ASP 120 -1.865 19.231 -5.444 833 H ASP 121 H ASP 121 -2.754 21.497 -6.377 834 HA ASP 121 HA ASP 121 -0.404 23.145 -7.022 835 1HB ASP 121 2HB ASP 121 -0.122 21.109 -8.290 836 2HB ASP 121 1HB ASP 121 -1.796 21.167 -8.839 837 H GLU 122 H GLU 122 -3.472 22.271 -8.527 838 HA GLU 122 HA GLU 122 -4.832 24.647 -7.977 839 1HB GLU 122 2HB GLU 122 -3.114 25.523 -9.632 840 2HB GLU 122 1HB GLU 122 -3.860 24.487 -10.840 841 1HG GLU 122 2HG GLU 122 -5.018 26.352 -11.304 842 2HG GLU 122 1HG GLU 122 -6.034 25.778 -9.985 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -20.336 -10.702 -7.498 2 2H GLY 1 2H GLY 1 -21.014 -11.866 -6.466 3 3H GLY 1 3H GLY 1 -19.598 -11.054 -6.013 4 1HA GLY 1 2HA GLY 1 -22.290 -10.305 -5.593 5 2HA GLY 1 1HA GLY 1 -20.825 -9.580 -4.943 6 H SER 2 H SER 2 -22.037 -7.555 -5.192 7 HA SER 2 HA SER 2 -22.699 -6.600 -7.801 8 1HB SER 2 2HB SER 2 -22.281 -4.416 -6.026 9 2HB SER 2 1HB SER 2 -23.815 -5.113 -6.549 10 HG SER 2 HG SER 2 -23.961 -6.236 -4.734 11 H LEU 3 H LEU 3 -20.136 -5.662 -5.506 12 HA LEU 3 HA LEU 3 -18.352 -5.244 -7.780 13 1HB LEU 3 2HB LEU 3 -17.492 -3.179 -6.431 14 2HB LEU 3 1HB LEU 3 -18.862 -3.018 -7.514 15 HG LEU 3 HG LEU 3 -19.900 -3.717 -4.970 16 1HD1 LEU 3 1HD1 LEU 3 -19.016 -2.203 -3.455 17 2HD1 LEU 3 2HD1 LEU 3 -17.584 -2.839 -4.267 18 3HD1 LEU 3 3HD1 LEU 3 -18.219 -1.255 -4.713 19 1HD2 LEU 3 1HD2 LEU 3 -21.342 -2.079 -5.479 20 2HD2 LEU 3 2HD2 LEU 3 -20.057 -0.906 -5.774 21 3HD2 LEU 3 3HD2 LEU 3 -20.512 -2.051 -7.036 22 H SER 4 H SER 4 -16.412 -6.140 -7.428 23 HA SER 4 HA SER 4 -15.838 -7.282 -4.833 24 1HB SER 4 2HB SER 4 -13.800 -7.290 -7.006 25 2HB SER 4 1HB SER 4 -14.269 -8.582 -5.903 26 HG SER 4 HG SER 4 -15.229 -7.959 -8.404 27 H TRP 5 H TRP 5 -14.996 -6.073 -3.291 28 HA TRP 5 HA TRP 5 -13.819 -3.559 -3.887 29 1HB TRP 5 2HB TRP 5 -15.043 -4.698 -1.673 30 2HB TRP 5 1HB TRP 5 -13.373 -4.453 -1.164 31 HD1 TRP 5 HD TRP 5 -15.793 -2.260 -3.249 32 HE1 TRP 5 1HE TRP 5 -15.750 0.128 -2.260 33 HE3 TRP 5 3HE TRP 5 -12.544 -3.058 0.605 34 HZ2 TRP 5 2HZ TRP 5 -14.492 1.473 -0.118 35 HZ3 TRP 5 3HZ TRP 5 -11.975 -1.180 2.085 36 HH2 TRP 5 HH TRP 5 -12.923 1.041 1.729 37 H LYS 6 H LYS 6 -11.768 -2.810 -3.385 38 HA LYS 6 HA LYS 6 -9.674 -4.611 -4.010 39 1HB LYS 6 2HB LYS 6 -8.388 -2.365 -3.133 40 2HB LYS 6 1HB LYS 6 -8.941 -2.630 -4.782 41 1HG LYS 6 2HG LYS 6 -11.017 -1.565 -3.035 42 2HG LYS 6 1HG LYS 6 -9.609 -0.511 -3.180 43 1HD LYS 6 2HD LYS 6 -9.904 -0.208 -5.450 44 2HD LYS 6 1HD LYS 6 -10.796 -1.719 -5.641 45 1HE LYS 6 2HE LYS 6 -12.782 -0.785 -5.032 46 2HE LYS 6 1HE LYS 6 -12.021 0.363 -3.927 47 1HZ LYS 6 1HZ LYS 6 -13.052 1.330 -5.993 48 2HZ LYS 6 2HZ LYS 6 -11.805 0.600 -6.876 49 3HZ LYS 6 3HZ LYS 6 -11.440 1.772 -5.703 50 H ARG 7 H ARG 7 -10.662 -2.929 -1.161 51 HA ARG 7 HA ARG 7 -10.355 -3.266 1.064 52 1HB ARG 7 2HB ARG 7 -11.080 -5.424 1.096 53 2HB ARG 7 1HB ARG 7 -9.963 -5.936 -0.157 54 1HG ARG 7 2HG ARG 7 -8.603 -5.294 2.322 55 2HG ARG 7 1HG ARG 7 -9.831 -6.546 2.525 56 1HD ARG 7 2HD ARG 7 -8.654 -8.056 1.354 57 2HD ARG 7 1HD ARG 7 -8.184 -6.871 0.131 58 HE ARG 7 HE ARG 7 -6.686 -6.160 2.261 59 1HH1 ARG 7 2HH1 ARG 7 -7.216 -9.251 0.681 60 2HH1 ARG 7 1HH1 ARG 7 -5.585 -9.807 0.930 61 1HH2 ARG 7 2HH2 ARG 7 -4.579 -6.918 2.663 62 2HH2 ARG 7 1HH2 ARG 7 -4.085 -8.487 2.095 63 H CYS 8 H CYS 8 -8.692 -3.360 2.771 64 HA CYS 8 HA CYS 8 -6.373 -2.027 1.927 65 1HB CYS 8 2HB CYS 8 -7.401 -1.678 4.135 66 2HB CYS 8 1HB CYS 8 -6.920 -3.303 4.608 67 H ALA 9 H ALA 9 -4.564 -2.760 1.152 68 HA ALA 9 HA ALA 9 -3.854 -5.580 1.381 69 1HB ALA 9 1HB ALA 9 -2.398 -5.246 -0.352 70 2HB ALA 9 2HB ALA 9 -3.572 -3.973 -0.692 71 3HB ALA 9 3HB ALA 9 -2.051 -3.580 0.113 72 H GLY 10 H GLY 10 -3.511 -2.844 3.211 73 1HA GLY 10 1HA GLY 10 -0.800 -3.168 4.098 74 2HA GLY 10 2HA GLY 10 -2.034 -2.165 4.847 75 H CYS 11 H CYS 11 -3.973 -4.048 5.419 76 HA CYS 11 HA CYS 11 -2.548 -5.816 7.288 77 1HB CYS 11 2HB CYS 11 -4.706 -5.749 8.638 78 2HB CYS 11 1HB CYS 11 -3.754 -4.271 8.630 79 H GLY 12 H GLY 12 -5.956 -5.849 6.538 80 1HA GLY 12 1HA GLY 12 -6.149 -7.609 4.452 81 2HA GLY 12 2HA GLY 12 -5.878 -8.642 5.852 82 H GLY 13 H GLY 13 -7.922 -5.935 4.787 83 1HA GLY 13 1HA GLY 13 -10.346 -7.193 5.347 84 2HA GLY 13 2HA GLY 13 -9.873 -6.223 6.740 85 H LYS 14 H LYS 14 -12.009 -5.981 4.677 86 HA LYS 14 HA LYS 14 -11.537 -3.833 2.962 87 1HB LYS 14 2HB LYS 14 -14.165 -4.451 4.323 88 2HB LYS 14 1HB LYS 14 -13.942 -3.562 2.823 89 1HG LYS 14 2HG LYS 14 -13.217 -5.538 1.684 90 2HG LYS 14 1HG LYS 14 -13.196 -6.454 3.193 91 1HD LYS 14 2HD LYS 14 -15.744 -5.139 2.449 92 2HD LYS 14 1HD LYS 14 -15.247 -6.529 1.481 93 1HE LYS 14 2HE LYS 14 -15.591 -7.992 3.169 94 2HE LYS 14 1HE LYS 14 -15.017 -6.866 4.400 95 1HZ LYS 14 1HZ LYS 14 -17.682 -6.795 3.082 96 2HZ LYS 14 2HZ LYS 14 -17.133 -5.693 4.251 97 3HZ LYS 14 3HZ LYS 14 -17.369 -7.318 4.665 98 H ILE 15 H ILE 15 -11.101 -1.789 3.354 99 HA ILE 15 HA ILE 15 -10.948 -0.756 5.968 100 HB ILE 15 HB ILE 15 -11.005 1.042 3.577 101 1HG1 ILE 15 2HG1 ILE 15 -8.720 -0.810 4.314 102 1HG2 ILE 15 1HG2 ILE 15 -10.006 2.486 4.945 103 2HG2 ILE 15 2HG2 ILE 15 -10.370 1.365 6.256 104 3HG2 ILE 15 3HG2 ILE 15 -8.806 1.295 5.445 105 1HD1 ILE 15 1HD1 ILE 15 -8.783 0.869 1.860 106 2HD1 ILE 15 2HD1 ILE 15 -8.229 1.564 3.383 107 3HD1 ILE 15 3HD1 ILE 15 -7.409 0.156 2.707 108 H ALA 16 H ALA 16 -12.559 -0.087 7.195 109 HA ALA 16 HA ALA 16 -15.063 0.796 5.959 110 1HB ALA 16 1HB ALA 16 -14.310 -0.376 8.554 111 2HB ALA 16 2HB ALA 16 -15.588 0.839 8.603 112 3HB ALA 16 3HB ALA 16 -15.770 -0.591 7.588 113 H ASP 17 H ASP 17 -12.484 2.335 6.177 114 HA ASP 17 HA ASP 17 -13.405 4.661 7.710 115 1HB ASP 17 2HB ASP 17 -10.751 3.635 6.881 116 2HB ASP 17 1HB ASP 17 -10.948 5.383 6.827 117 H ARG 18 H ARG 18 -13.578 6.688 6.700 118 HA ARG 18 HA ARG 18 -14.110 6.506 3.831 119 1HB ARG 18 2HB ARG 18 -15.015 8.861 4.172 120 2HB ARG 18 1HB ARG 18 -15.887 7.557 4.962 121 1HG ARG 18 2HG ARG 18 -13.981 8.445 6.815 122 2HG ARG 18 1HG ARG 18 -14.691 9.894 6.098 123 1HD ARG 18 2HD ARG 18 -16.138 9.466 7.848 124 2HD ARG 18 1HD ARG 18 -16.946 8.664 6.501 125 HE ARG 18 HE ARG 18 -15.201 7.162 8.334 126 1HH1 ARG 18 2HH1 ARG 18 -18.350 7.694 6.876 127 2HH1 ARG 18 1HH1 ARG 18 -18.993 6.170 7.422 128 1HH2 ARG 18 2HH2 ARG 18 -16.041 5.160 9.025 129 2HH2 ARG 18 1HH2 ARG 18 -17.673 4.724 8.617 130 H PHE 19 H PHE 19 -11.510 6.990 5.608 131 HA PHE 19 HA PHE 19 -10.301 8.794 3.624 132 1HB PHE 19 2HB PHE 19 -9.023 8.587 6.303 133 2HB PHE 19 1HB PHE 19 -9.064 9.943 5.185 134 HD1 PHE 19 1HD PHE 19 -10.155 8.773 8.264 135 HD2 PHE 19 2HD PHE 19 -11.497 10.998 4.902 136 HE1 PHE 19 1HE PHE 19 -11.854 9.859 9.669 137 HE2 PHE 19 2HE PHE 19 -13.213 12.083 6.294 138 HZ PHE 19 HZ PHE 19 -13.388 11.516 8.683 139 H LEU 20 H LEU 20 -9.683 6.976 2.380 140 HA LEU 20 HA LEU 20 -7.899 5.064 3.709 141 1HB LEU 20 2HB LEU 20 -8.545 4.374 0.980 142 2HB LEU 20 1HB LEU 20 -8.748 3.438 2.445 143 HG LEU 20 HG LEU 20 -10.892 4.902 2.769 144 1HD1 LEU 20 1HD1 LEU 20 -11.294 4.936 -0.093 145 2HD1 LEU 20 2HD1 LEU 20 -11.551 6.217 1.093 146 3HD1 LEU 20 3HD1 LEU 20 -9.955 5.986 0.376 147 1HD2 LEU 20 1HD2 LEU 20 -10.523 2.643 0.816 148 2HD2 LEU 20 2HD2 LEU 20 -11.082 2.568 2.489 149 3HD2 LEU 20 3HD2 LEU 20 -12.117 3.271 1.245 150 H LEU 21 H LEU 21 -6.064 4.297 2.584 151 HA LEU 21 HA LEU 21 -4.789 6.319 0.869 152 1HB LEU 21 2HB LEU 21 -3.803 4.980 3.058 153 2HB LEU 21 1HB LEU 21 -3.234 3.976 1.739 154 HG LEU 21 HG LEU 21 -2.755 6.922 1.617 155 1HD1 LEU 21 1HD1 LEU 21 -0.825 5.115 3.014 156 2HD1 LEU 21 2HD1 LEU 21 -0.910 6.877 3.016 157 3HD1 LEU 21 3HD1 LEU 21 -2.105 5.936 3.910 158 1HD2 LEU 21 1HD2 LEU 21 -1.206 6.382 0.057 159 2HD2 LEU 21 2HD2 LEU 21 -0.738 4.893 0.881 160 3HD2 LEU 21 3HD2 LEU 21 -2.203 4.933 -0.100 161 H TYR 22 H TYR 22 -3.828 5.562 -1.103 162 HA TYR 22 HA TYR 22 -4.820 2.958 -2.038 163 1HB TYR 22 2HB TYR 22 -4.642 5.248 -3.958 164 2HB TYR 22 1HB TYR 22 -5.644 3.810 -4.034 165 HD1 TYR 22 1HD TYR 22 -7.795 3.735 -2.957 166 HD2 TYR 22 2HD TYR 22 -5.357 7.209 -2.638 167 HE1 TYR 22 1HE TYR 22 -9.737 5.025 -2.174 168 HE2 TYR 22 2HE TYR 22 -7.289 8.496 -1.851 169 HH TYR 22 HH TYR 22 -10.512 7.022 -1.590 170 H ALA 23 H ALA 23 -3.235 1.709 -2.867 171 HA ALA 23 HA ALA 23 -0.951 2.948 -4.142 172 1HB ALA 23 1HB ALA 23 0.636 1.650 -2.628 173 2HB ALA 23 2HB ALA 23 -0.112 3.094 -1.949 174 3HB ALA 23 3HB ALA 23 -0.726 1.498 -1.520 175 H MET 24 H MET 24 -0.591 1.820 -5.898 176 HA MET 24 HA MET 24 -0.460 0.141 -7.408 177 1HB MET 24 2HB MET 24 0.444 -1.053 -4.887 178 2HB MET 24 1HB MET 24 -0.134 -2.228 -6.061 179 1HG MET 24 2HG MET 24 1.412 -0.885 -7.699 180 2HG MET 24 1HG MET 24 2.205 -0.395 -6.201 181 1HE MET 24 1HE MET 24 2.291 -2.585 -9.006 182 2HE MET 24 2HE MET 24 2.753 -4.204 -8.481 183 3HE MET 24 3HE MET 24 1.083 -3.661 -8.306 184 H ASP 25 H ASP 25 -2.942 0.881 -7.066 185 HA ASP 25 HA ASP 25 -5.050 0.279 -7.649 186 1HB ASP 25 2HB ASP 25 -3.613 -2.220 -8.108 187 2HB ASP 25 1HB ASP 25 -5.302 -2.463 -7.673 188 H SER 26 H SER 26 -3.619 -1.681 -5.080 189 HA SER 26 HA SER 26 -6.169 -2.154 -3.830 190 1HB SER 26 2HB SER 26 -3.862 -2.585 -2.115 191 2HB SER 26 1HB SER 26 -5.040 -3.751 -2.720 192 HG SER 26 HG SER 26 -3.818 -4.117 -4.483 193 H TYR 27 H TYR 27 -6.669 -1.460 -1.667 194 HA TYR 27 HA TYR 27 -5.758 1.289 -1.225 195 1HB TYR 27 2HB TYR 27 -8.249 -0.162 -0.318 196 2HB TYR 27 1HB TYR 27 -7.808 1.452 0.224 197 HD1 TYR 27 1HD TYR 27 -6.726 1.159 -3.100 198 HD2 TYR 27 2HD TYR 27 -10.269 1.666 -0.783 199 HE1 TYR 27 1HE TYR 27 -7.872 2.099 -5.061 200 HE2 TYR 27 2HE TYR 27 -11.416 2.607 -2.742 201 HH TYR 27 HH TYR 27 -9.960 3.779 -5.355 202 H TRP 28 H TRP 28 -5.391 1.942 0.986 203 HA TRP 28 HA TRP 28 -4.513 -0.250 2.745 204 1HB TRP 28 2HB TRP 28 -2.890 2.186 1.947 205 2HB TRP 28 1HB TRP 28 -2.435 1.055 3.211 206 HD1 TRP 28 HD TRP 28 -3.279 0.756 -0.588 207 HE1 TRP 28 1HE TRP 28 -1.567 -0.852 -1.639 208 HE3 TRP 28 3HE TRP 28 -0.587 -0.413 3.596 209 HZ2 TRP 28 2HZ TRP 28 0.633 -2.403 -0.807 210 HZ3 TRP 28 3HZ TRP 28 1.313 -1.964 3.377 211 HH2 TRP 28 HH TRP 28 1.906 -2.940 1.223 212 H HIS 29 H HIS 29 -4.058 0.520 4.950 213 HA HIS 29 HA HIS 29 -5.841 2.681 5.789 214 1HB HIS 29 2HB HIS 29 -4.198 0.621 7.238 215 2HB HIS 29 1HB HIS 29 -4.677 2.089 8.079 216 HD2 HIS 29 2HD HIS 29 -7.555 2.417 8.258 217 HE1 HIS 29 1HE HIS 29 -8.160 -1.763 7.884 218 HE2 HIS 29 2HE HIS 29 -9.266 0.461 8.439 219 H SER 30 H SER 30 -4.929 4.530 6.947 220 HA SER 30 HA SER 30 -2.694 5.625 5.650 221 1HB SER 30 2HB SER 30 -3.052 6.987 8.091 222 2HB SER 30 1HB SER 30 -3.689 7.438 6.512 223 HG SER 30 HG SER 30 -5.565 7.096 7.412 224 H ARG 31 H ARG 31 -3.037 3.702 8.523 225 HA ARG 31 HA ARG 31 -0.212 4.085 9.211 226 1HB ARG 31 2HB ARG 31 -2.173 4.175 10.913 227 2HB ARG 31 1HB ARG 31 -2.146 2.422 10.794 228 1HG ARG 31 2HG ARG 31 -0.615 2.453 12.396 229 2HG ARG 31 1HG ARG 31 0.503 3.110 11.199 230 1HD ARG 31 2HD ARG 31 -1.189 5.185 12.245 231 2HD ARG 31 1HD ARG 31 -0.384 4.326 13.558 232 HE ARG 31 HE ARG 31 0.936 5.787 11.369 233 1HH1 ARG 31 2HH1 ARG 31 1.114 4.085 14.420 234 2HH1 ARG 31 1HH1 ARG 31 2.705 4.673 14.809 235 1HH2 ARG 31 2HH2 ARG 31 3.016 6.580 11.869 236 2HH2 ARG 31 1HH2 ARG 31 3.793 6.109 13.351 237 H CYS 32 H CYS 32 -1.886 2.161 7.173 238 HA CYS 32 HA CYS 32 -0.517 -0.313 7.895 239 1HB CYS 32 2HB CYS 32 -2.834 0.364 6.155 240 2HB CYS 32 1HB CYS 32 -1.866 -1.037 5.703 241 H LEU 33 H LEU 33 -0.422 2.238 5.513 242 HA LEU 33 HA LEU 33 1.539 0.836 3.887 243 1HB LEU 33 2HB LEU 33 -0.073 2.392 2.830 244 2HB LEU 33 1HB LEU 33 0.637 3.715 3.736 245 HG LEU 33 HG LEU 33 2.849 3.055 2.576 246 1HD1 LEU 33 1HD1 LEU 33 1.085 1.128 1.447 247 2HD1 LEU 33 2HD1 LEU 33 1.647 2.208 0.172 248 3HD1 LEU 33 3HD1 LEU 33 2.813 1.347 1.175 249 1HD2 LEU 33 1HD2 LEU 33 1.179 5.015 2.119 250 2HD2 LEU 33 2HD2 LEU 33 2.494 4.673 0.995 251 3HD2 LEU 33 3HD2 LEU 33 0.861 4.116 0.634 252 H LYS 34 H LYS 34 3.051 0.453 5.550 253 HA LYS 34 HA LYS 34 4.692 2.803 6.210 254 1HB LYS 34 2HB LYS 34 4.896 2.157 8.469 255 2HB LYS 34 1HB LYS 34 3.183 1.996 8.105 256 1HG LYS 34 2HG LYS 34 4.630 -0.464 7.603 257 2HG LYS 34 1HG LYS 34 4.817 0.093 9.267 258 1HD LYS 34 2HD LYS 34 2.650 -0.271 9.772 259 2HD LYS 34 1HD LYS 34 2.084 0.228 8.178 260 1HE LYS 34 2HE LYS 34 2.117 -1.870 7.376 261 2HE LYS 34 1HE LYS 34 3.634 -2.258 8.189 262 1HZ LYS 34 1HZ LYS 34 2.360 -3.519 9.493 263 2HZ LYS 34 2HZ LYS 34 0.922 -2.754 9.019 264 3HZ LYS 34 3HZ LYS 34 1.884 -2.072 10.237 265 H CYS 35 H CYS 35 6.856 2.133 7.076 266 HA CYS 35 HA CYS 35 8.203 0.478 5.222 267 1HB CYS 35 2HB CYS 35 9.191 2.426 6.442 268 2HB CYS 35 1HB CYS 35 9.157 1.470 7.919 269 H SER 36 H SER 36 9.108 -1.553 5.489 270 HA SER 36 HA SER 36 7.730 -3.339 7.257 271 1HB SER 36 2HB SER 36 10.144 -4.415 6.013 272 2HB SER 36 1HB SER 36 8.468 -4.930 5.840 273 HG SER 36 HG SER 36 9.675 -3.964 3.939 274 H SER 37 H SER 37 10.517 -1.396 7.473 275 HA SER 37 HA SER 37 11.501 -2.968 9.755 276 1HB SER 37 2HB SER 37 13.134 -0.805 8.503 277 2HB SER 37 1HB SER 37 13.654 -2.313 9.253 278 HG SER 37 HG SER 37 12.464 -3.291 7.342 279 H CYS 38 H CYS 38 10.745 0.345 8.690 280 HA CYS 38 HA CYS 38 11.204 1.443 11.312 281 1HB CYS 38 2HB CYS 38 9.872 2.595 8.858 282 2HB CYS 38 1HB CYS 38 10.104 3.488 10.354 283 H GLN 39 H GLN 39 8.333 0.815 9.328 284 HA GLN 39 HA GLN 39 6.146 0.492 9.832 285 1HB GLN 39 2HB GLN 39 7.527 -0.469 12.236 286 2HB GLN 39 1HB GLN 39 5.869 0.044 12.516 287 1HG GLN 39 2HG GLN 39 5.390 -2.069 11.951 288 2HG GLN 39 1HG GLN 39 5.536 -1.453 10.306 289 1HE2 GLN 39 1HE2 GLN 39 8.463 -1.547 12.031 290 2HE2 GLN 39 2HE2 GLN 39 9.103 -2.997 11.339 291 H ALA 40 H ALA 40 7.410 3.098 9.986 292 HA ALA 40 HA ALA 40 5.824 4.461 12.028 293 1HB ALA 40 1HB ALA 40 7.614 5.758 12.246 294 2HB ALA 40 2HB ALA 40 8.426 4.869 10.958 295 3HB ALA 40 3HB ALA 40 7.442 6.281 10.571 296 H GLN 41 H GLN 41 5.863 6.961 10.576 297 HA GLN 41 HA GLN 41 3.604 6.440 8.792 298 1HB GLN 41 2HB GLN 41 3.692 8.181 10.783 299 2HB GLN 41 1HB GLN 41 4.457 9.198 9.572 300 1HG GLN 41 2HG GLN 41 1.974 9.475 9.836 301 2HG GLN 41 1HG GLN 41 2.547 9.175 8.196 302 1HE2 GLN 41 1HE2 GLN 41 0.676 8.332 7.423 303 2HE2 GLN 41 2HE2 GLN 41 0.049 6.792 7.922 304 H LEU 42 H LEU 42 4.405 5.928 6.842 305 HA LEU 42 HA LEU 42 6.722 7.143 5.709 306 1HB LEU 42 2HB LEU 42 5.305 4.850 5.243 307 2HB LEU 42 1HB LEU 42 4.844 5.830 3.867 308 HG LEU 42 HG LEU 42 6.890 5.682 2.897 309 1HD1 LEU 42 1HD1 LEU 42 8.025 6.909 4.708 310 2HD1 LEU 42 2HD1 LEU 42 8.192 5.398 5.600 311 3HD1 LEU 42 3HD1 LEU 42 9.013 5.602 4.053 312 1HD2 LEU 42 1HD2 LEU 42 8.012 3.490 3.517 313 2HD2 LEU 42 2HD2 LEU 42 6.756 3.319 4.743 314 3HD2 LEU 42 3HD2 LEU 42 6.316 3.412 3.037 315 H GLY 43 H GLY 43 3.690 8.345 6.129 316 1HA GLY 43 1HA GLY 43 3.959 10.109 3.780 317 2HA GLY 43 2HA GLY 43 2.399 9.588 4.402 318 H ASP 44 H ASP 44 4.893 10.309 6.674 319 HA ASP 44 HA ASP 44 3.419 12.742 7.433 320 1HB ASP 44 2HB ASP 44 3.661 10.851 9.103 321 2HB ASP 44 1HB ASP 44 5.383 11.218 9.145 322 H ILE 45 H ILE 45 6.712 11.455 7.240 323 HA ILE 45 HA ILE 45 7.813 14.158 7.280 324 HB ILE 45 HB ILE 45 10.018 12.725 7.142 325 1HG1 ILE 45 2HG1 ILE 45 8.448 10.694 8.633 326 1HG2 ILE 45 1HG2 ILE 45 10.094 12.648 9.556 327 2HG2 ILE 45 2HG2 ILE 45 9.280 14.123 9.032 328 3HG2 ILE 45 3HG2 ILE 45 8.335 12.763 9.641 329 1HD1 ILE 45 1HD1 ILE 45 10.022 9.144 7.563 330 2HD1 ILE 45 2HD1 ILE 45 10.764 10.509 6.727 331 3HD1 ILE 45 3HD1 ILE 45 10.832 10.407 8.486 332 H GLY 46 H GLY 46 6.426 13.920 5.058 333 1HA GLY 46 1HA GLY 46 6.912 14.505 2.801 334 2HA GLY 46 2HA GLY 46 8.451 13.656 2.949 335 H THR 47 H THR 47 5.448 13.465 1.594 336 HA THR 47 HA THR 47 4.870 10.719 2.090 337 HB THR 47 HB THR 47 3.538 11.540 -0.257 338 HG1 THR 47 1HG THR 47 4.163 13.675 0.075 339 1HG2 THR 47 1HG2 THR 47 1.954 10.616 1.010 340 2HG2 THR 47 2HG2 THR 47 1.884 12.117 1.931 341 3HG2 THR 47 3HG2 THR 47 2.938 10.807 2.459 342 H SER 48 H SER 48 6.430 9.331 1.411 343 HA SER 48 HA SER 48 6.567 8.772 -1.394 344 1HB SER 48 2HB SER 48 9.120 9.613 0.015 345 2HB SER 48 1HB SER 48 9.026 8.920 -1.605 346 HG SER 48 HG SER 48 7.384 11.083 -1.275 347 H SER 49 H SER 49 6.193 6.652 -1.289 348 HA SER 49 HA SER 49 7.704 5.060 0.670 349 1HB SER 49 2HB SER 49 5.830 3.328 0.119 350 2HB SER 49 1HB SER 49 5.456 4.666 1.205 351 HG SER 49 HG SER 49 3.921 4.214 -0.567 352 H TYR 50 H TYR 50 8.396 2.911 -0.124 353 HA TYR 50 HA TYR 50 8.905 2.982 -3.028 354 1HB TYR 50 2HB TYR 50 10.634 2.324 -0.710 355 2HB TYR 50 1HB TYR 50 10.824 1.317 -2.144 356 HD1 TYR 50 1HD TYR 50 11.732 4.360 -0.569 357 HD2 TYR 50 2HD TYR 50 11.190 2.556 -4.386 358 HE1 TYR 50 1HE TYR 50 13.156 6.088 -1.579 359 HE2 TYR 50 2HE TYR 50 12.620 4.280 -5.408 360 HH TYR 50 HH TYR 50 13.966 6.033 -5.039 361 H THR 51 H THR 51 7.862 1.483 -4.132 362 HA THR 51 HA THR 51 6.813 -0.879 -2.780 363 HB THR 51 HB THR 51 6.287 -0.953 -5.576 364 HG1 THR 51 1HG THR 51 6.728 1.306 -5.578 365 1HG2 THR 51 1HG2 THR 51 4.363 -0.089 -3.433 366 2HG2 THR 51 2HG2 THR 51 4.927 -1.753 -3.569 367 3HG2 THR 51 3HG2 THR 51 4.033 -1.015 -4.898 368 H LYS 52 H LYS 52 8.407 -2.386 -2.514 369 HA LYS 52 HA LYS 52 9.462 -3.589 -4.936 370 1HB LYS 52 2HB LYS 52 11.212 -2.275 -2.868 371 2HB LYS 52 1HB LYS 52 11.801 -3.653 -3.786 372 1HG LYS 52 2HG LYS 52 10.611 -1.549 -5.436 373 2HG LYS 52 1HG LYS 52 12.037 -1.042 -4.535 374 1HD LYS 52 2HD LYS 52 13.024 -3.299 -5.438 375 2HD LYS 52 1HD LYS 52 11.766 -3.119 -6.659 376 1HE LYS 52 2HE LYS 52 13.842 -1.031 -6.010 377 2HE LYS 52 1HE LYS 52 13.958 -2.180 -7.337 378 1HZ LYS 52 1HZ LYS 52 12.735 0.305 -7.368 379 2HZ LYS 52 2HZ LYS 52 11.471 -0.830 -7.441 380 3HZ LYS 52 3HZ LYS 52 12.713 -0.874 -8.590 381 H SER 53 H SER 53 9.870 -5.754 -4.705 382 HA SER 53 HA SER 53 9.745 -7.847 -3.846 383 1HB SER 53 2HB SER 53 10.409 -6.539 -1.197 384 2HB SER 53 1HB SER 53 10.622 -8.241 -1.617 385 HG SER 53 HG SER 53 11.847 -6.544 -3.386 386 H GLY 54 H GLY 54 7.368 -6.067 -3.853 387 1HA GLY 54 1HA GLY 54 5.153 -6.227 -3.232 388 2HA GLY 54 2HA GLY 54 5.540 -7.794 -2.529 389 H MET 55 H MET 55 7.392 -5.139 -1.439 390 HA MET 55 HA MET 55 5.724 -4.862 0.955 391 1HB MET 55 2HB MET 55 7.484 -5.228 2.413 392 2HB MET 55 1HB MET 55 7.859 -6.370 1.133 393 1HG MET 55 2HG MET 55 9.504 -4.877 0.215 394 2HG MET 55 1HG MET 55 9.068 -3.627 1.378 395 1HE MET 55 1HE MET 55 12.175 -6.639 1.539 396 2HE MET 55 2HE MET 55 11.381 -5.706 0.268 397 3HE MET 55 3HE MET 55 12.478 -4.909 1.394 398 H ILE 56 H ILE 56 6.542 -2.908 2.282 399 HA ILE 56 HA ILE 56 7.150 -0.716 0.400 400 HB ILE 56 HB ILE 56 5.418 -0.471 2.861 401 1HG1 ILE 56 2HG1 ILE 56 4.398 -1.981 1.148 402 1HG2 ILE 56 1HG2 ILE 56 6.141 1.652 2.419 403 2HG2 ILE 56 2HG2 ILE 56 6.261 1.372 0.682 404 3HG2 ILE 56 3HG2 ILE 56 4.679 1.590 1.432 405 1HD1 ILE 56 1HD1 ILE 56 4.732 -1.472 -0.996 406 2HD1 ILE 56 2HD1 ILE 56 3.407 -0.333 -0.771 407 3HD1 ILE 56 3HD1 ILE 56 5.075 0.222 -0.644 408 H LEU 57 H LEU 57 8.967 0.330 0.867 409 HA LEU 57 HA LEU 57 9.906 0.327 3.661 410 1HB LEU 57 2HB LEU 57 11.642 0.337 1.191 411 2HB LEU 57 1HB LEU 57 12.196 0.286 2.851 412 HG LEU 57 HG LEU 57 10.457 -1.931 2.427 413 1HD1 LEU 57 1HD1 LEU 57 10.904 -2.696 0.395 414 2HD1 LEU 57 2HD1 LEU 57 11.737 -1.181 0.045 415 3HD1 LEU 57 3HD1 LEU 57 12.638 -2.559 0.679 416 1HD2 LEU 57 1HD2 LEU 57 12.199 -1.857 4.100 417 2HD2 LEU 57 2HD2 LEU 57 12.511 -3.189 2.987 418 3HD2 LEU 57 3HD2 LEU 57 13.434 -1.693 2.852 419 H CYS 58 H CYS 58 11.422 2.132 4.123 420 HA CYS 58 HA CYS 58 10.452 4.631 2.991 421 1HB CYS 58 2HB CYS 58 11.830 5.699 4.704 422 2HB CYS 58 1HB CYS 58 10.820 4.457 5.438 423 H ARG 59 H ARG 59 12.387 6.272 2.585 424 HA ARG 59 HA ARG 59 13.880 5.264 0.405 425 1HB ARG 59 2HB ARG 59 13.279 7.641 0.617 426 2HB ARG 59 1HB ARG 59 14.351 7.787 2.005 427 1HG ARG 59 2HG ARG 59 15.901 8.433 0.545 428 2HG ARG 59 1HG ARG 59 15.996 6.735 0.074 429 1HD ARG 59 2HD ARG 59 15.725 8.081 -1.904 430 2HD ARG 59 1HD ARG 59 14.247 7.156 -1.632 431 HE ARG 59 HE ARG 59 14.183 9.784 -0.461 432 1HH1 ARG 59 2HH1 ARG 59 13.608 7.959 -3.402 433 2HH1 ARG 59 1HH1 ARG 59 12.493 9.127 -4.053 434 1HH2 ARG 59 2HH2 ARG 59 12.718 11.283 -1.278 435 2HH2 ARG 59 1HH2 ARG 59 11.944 11.014 -2.814 436 H ASN 60 H ASN 60 14.731 5.943 3.769 437 HA ASN 60 HA ASN 60 17.491 5.414 3.556 438 1HB ASN 60 2HB ASN 60 16.695 6.590 5.486 439 2HB ASN 60 1HB ASN 60 15.597 5.280 5.907 440 1HD2 ASN 60 1HD2 ASN 60 16.310 4.532 7.795 441 2HD2 ASN 60 2HD2 ASN 60 17.938 4.042 8.124 442 H ASP 61 H ASP 61 14.773 3.334 4.531 443 HA ASP 61 HA ASP 61 16.420 1.056 4.972 444 1HB ASP 61 2HB ASP 61 13.544 1.658 5.024 445 2HB ASP 61 1HB ASP 61 13.931 0.002 4.552 446 H TYR 62 H TYR 62 14.706 2.322 2.213 447 HA TYR 62 HA TYR 62 14.973 0.073 0.518 448 1HB TYR 62 2HB TYR 62 13.452 1.867 -0.059 449 2HB TYR 62 1HB TYR 62 14.774 3.027 -0.105 450 HD1 TYR 62 1HD TYR 62 15.815 3.498 -2.127 451 HD2 TYR 62 2HD TYR 62 13.590 -0.103 -1.734 452 HE1 TYR 62 1HE TYR 62 16.109 3.063 -4.530 453 HE2 TYR 62 2HE TYR 62 13.881 -0.552 -4.130 454 HH TYR 62 HH TYR 62 14.450 1.399 -6.314 455 H ILE 63 H ILE 63 17.008 2.925 1.079 456 HA ILE 63 HA ILE 63 18.990 2.365 -0.826 457 HB ILE 63 HB ILE 63 19.180 3.873 1.786 458 1HG1 ILE 63 2HG1 ILE 63 17.821 5.208 0.501 459 1HG2 ILE 63 1HG2 ILE 63 21.167 4.027 -0.463 460 2HG2 ILE 63 2HG2 ILE 63 21.288 4.716 1.156 461 3HG2 ILE 63 3HG2 ILE 63 21.379 2.969 0.932 462 1HD1 ILE 63 1HD1 ILE 63 19.226 4.230 -1.968 463 2HD1 ILE 63 2HD1 ILE 63 17.575 3.865 -1.459 464 3HD1 ILE 63 3HD1 ILE 63 18.008 5.506 -1.944 465 H ARG 64 H ARG 64 18.610 1.314 2.511 466 HA ARG 64 HA ARG 64 21.166 -0.012 2.565 467 1HB ARG 64 2HB ARG 64 18.906 0.372 4.454 468 2HB ARG 64 1HB ARG 64 19.956 -1.013 4.721 469 1HG ARG 64 2HG ARG 64 21.638 0.253 5.469 470 2HG ARG 64 1HG ARG 64 21.393 1.483 4.227 471 1HD ARG 64 2HD ARG 64 20.921 2.582 6.238 472 2HD ARG 64 1HD ARG 64 19.337 2.180 5.576 473 HE ARG 64 HE ARG 64 20.662 0.819 7.832 474 1HH1 ARG 64 2HH1 ARG 64 17.801 1.561 5.972 475 2HH1 ARG 64 1HH1 ARG 64 16.718 0.736 7.054 476 1HH2 ARG 64 2HH2 ARG 64 19.252 -0.219 9.289 477 2HH2 ARG 64 1HH2 ARG 64 17.536 -0.222 8.980 478 H LEU 65 H LEU 65 18.386 -0.755 1.015 479 HA LEU 65 HA LEU 65 18.760 -3.649 1.385 480 1HB LEU 65 2HB LEU 65 16.403 -2.042 1.389 481 2HB LEU 65 1HB LEU 65 16.338 -3.109 0.000 482 HG LEU 65 HG LEU 65 15.209 -4.087 1.936 483 1HD1 LEU 65 1HD1 LEU 65 17.686 -5.715 1.623 484 2HD1 LEU 65 2HD1 LEU 65 15.996 -6.223 1.636 485 3HD1 LEU 65 3HD1 LEU 65 16.662 -5.410 0.218 486 1HD2 LEU 65 1HD2 LEU 65 16.140 -3.389 3.885 487 2HD2 LEU 65 2HD2 LEU 65 16.975 -4.935 3.732 488 3HD2 LEU 65 3HD2 LEU 65 17.785 -3.443 3.248 489 H PHE 66 H PHE 66 17.385 -1.581 -1.178 490 HA PHE 66 HA PHE 66 18.997 -3.114 -3.115 491 1HB PHE 66 2HB PHE 66 16.524 -1.659 -3.947 492 2HB PHE 66 1HB PHE 66 17.249 -3.107 -4.628 493 HD1 PHE 66 1HD PHE 66 16.932 -5.291 -3.507 494 HD2 PHE 66 2HD PHE 66 14.893 -1.780 -2.229 495 HE1 PHE 66 1HE PHE 66 15.321 -6.678 -2.266 496 HE2 PHE 66 2HE PHE 66 13.281 -3.163 -0.988 497 HZ PHE 66 HZ PHE 66 13.497 -5.613 -1.001 498 H GLY 67 H GLY 67 18.224 0.012 -1.917 499 1HA GLY 67 1HA GLY 67 19.098 1.425 -4.282 500 2HA GLY 67 2HA GLY 67 18.609 2.143 -2.758 501 H ASN 68 H ASN 68 21.156 -0.211 -3.490 502 HA ASN 68 HA ASN 68 23.064 1.231 -1.901 503 1HB ASN 68 2HB ASN 68 23.105 -1.248 -2.121 504 2HB ASN 68 1HB ASN 68 23.524 -1.065 -3.822 505 1HD2 ASN 68 1HD2 ASN 68 24.628 -0.809 -0.550 506 2HD2 ASN 68 2HD2 ASN 68 26.312 -0.636 -0.920 507 H SER 69 H SER 69 24.469 2.735 -2.555 508 HA SER 69 HA SER 69 24.177 3.855 -5.167 509 1HB SER 69 2HB SER 69 26.335 4.608 -3.213 510 2HB SER 69 1HB SER 69 25.485 5.634 -4.371 511 HG SER 69 HG SER 69 23.619 4.652 -2.843 512 H GLY 70 H GLY 70 24.807 1.790 -6.210 513 1HA GLY 70 1HA GLY 70 27.584 1.985 -7.053 514 2HA GLY 70 2HA GLY 70 27.108 0.467 -6.303 515 H ALA 71 H ALA 71 26.900 2.472 -9.093 516 HA ALA 71 HA ALA 71 24.877 0.951 -10.428 517 1HB ALA 71 1HB ALA 71 25.556 2.290 -12.419 518 2HB ALA 71 2HB ALA 71 25.128 3.259 -11.010 519 3HB ALA 71 3HB ALA 71 26.822 3.021 -11.434 520 H GLY 72 H GLY 72 25.922 -1.144 -10.002 521 1HA GLY 72 1HA GLY 72 26.892 -2.436 -12.191 522 2HA GLY 72 2HA GLY 72 28.336 -1.787 -11.424 523 H GLY 73 H GLY 73 29.153 -3.819 -10.889 524 1HA GLY 73 1HA GLY 73 27.738 -5.082 -8.627 525 2HA GLY 73 2HA GLY 73 28.380 -6.069 -9.932 526 H SER 74 H SER 74 29.812 -3.227 -8.394 527 HA SER 74 HA SER 74 32.336 -4.516 -8.154 528 1HB SER 74 2HB SER 74 31.922 -2.091 -6.545 529 2HB SER 74 1HB SER 74 33.114 -2.424 -7.802 530 HG SER 74 HG SER 74 31.916 -1.355 -9.139 531 H GLY 75 H GLY 75 29.737 -3.738 -5.917 532 1HA GLY 75 1HA GLY 75 31.252 -4.929 -3.711 533 2HA GLY 75 2HA GLY 75 29.773 -3.994 -3.559 534 H GLY 76 H GLY 76 28.233 -5.233 -2.743 535 1HA GLY 76 1HA GLY 76 28.041 -8.021 -3.711 536 2HA GLY 76 2HA GLY 76 27.511 -7.486 -2.122 537 H HIS 77 H HIS 77 25.573 -6.372 -1.904 538 HA HIS 77 HA HIS 77 23.686 -6.845 -4.083 539 1HB HIS 77 2HB HIS 77 23.305 -7.451 -1.587 540 2HB HIS 77 1HB HIS 77 22.971 -5.737 -1.381 541 HD1 HIS 77 1HD HIS 77 20.525 -6.385 -0.723 542 HD2 HIS 77 2HD HIS 77 21.601 -7.337 -4.627 543 HE1 HIS 77 1HE HIS 77 18.364 -6.832 -1.934 544 HE2 HIS 77 2HE HIS 77 19.035 -7.195 -4.339 545 H MET 78 H MET 78 24.905 -5.078 -5.263 546 HA MET 78 HA MET 78 24.304 -2.364 -4.432 547 1HB MET 78 2HB MET 78 25.621 -3.483 -6.914 548 2HB MET 78 1HB MET 78 25.384 -1.764 -6.621 549 1HG MET 78 2HG MET 78 26.761 -1.936 -4.598 550 2HG MET 78 1HG MET 78 27.023 -3.645 -4.939 551 1HE MET 78 1HE MET 78 28.525 -0.907 -4.481 552 2HE MET 78 2HE MET 78 30.072 -1.278 -5.246 553 3HE MET 78 3HE MET 78 29.016 -0.051 -5.942 554 H GLY 79 H GLY 79 23.212 -0.883 -6.100 555 1HA GLY 79 1HA GLY 79 21.452 -2.023 -8.005 556 2HA GLY 79 2HA GLY 79 20.604 -1.768 -6.490 557 H SER 80 H SER 80 19.749 0.152 -6.111 558 HA SER 80 HA SER 80 19.773 2.079 -8.207 559 1HB SER 80 2HB SER 80 18.526 2.902 -5.679 560 2HB SER 80 1HB SER 80 17.821 2.734 -7.289 561 HG SER 80 HG SER 80 16.869 1.152 -6.113 562 H GLY 81 H GLY 81 21.882 2.917 -8.315 563 1HA GLY 81 1HA GLY 81 22.285 5.237 -6.733 564 2HA GLY 81 2HA GLY 81 23.376 3.957 -6.222 565 H GLY 82 H GLY 82 24.701 5.995 -7.003 566 1HA GLY 82 1HA GLY 82 25.337 5.640 -9.858 567 2HA GLY 82 2HA GLY 82 25.742 7.059 -8.901 568 H ASP 83 H ASP 83 27.878 7.190 -8.634 569 HA ASP 83 HA ASP 83 29.321 5.219 -7.232 570 1HB ASP 83 2HB ASP 83 29.119 4.130 -9.530 571 2HB ASP 83 1HB ASP 83 30.189 5.404 -10.115 572 H VAL 84 H VAL 84 31.693 5.734 -7.139 573 HA VAL 84 HA VAL 84 32.071 8.564 -6.865 574 HB VAL 84 HB VAL 84 34.563 7.677 -6.537 575 1HG1 VAL 84 1HG1 VAL 84 32.442 7.150 -4.467 576 2HG1 VAL 84 2HG1 VAL 84 34.135 7.562 -4.197 577 3HG1 VAL 84 3HG1 VAL 84 33.035 8.759 -4.879 578 1HG2 VAL 84 1HG2 VAL 84 33.117 5.277 -6.971 579 2HG2 VAL 84 2HG2 VAL 84 34.815 5.470 -6.545 580 3HG2 VAL 84 3HG2 VAL 84 33.600 5.315 -5.277 581 H MET 85 H MET 85 32.784 6.161 -9.271 582 HA MET 85 HA MET 85 33.442 8.155 -11.210 583 1HB MET 85 2HB MET 85 35.606 7.586 -9.770 584 2HB MET 85 1HB MET 85 35.677 6.209 -10.861 585 1HG MET 85 2HG MET 85 35.229 8.384 -12.525 586 2HG MET 85 1HG MET 85 36.369 8.977 -11.321 587 1HE MET 85 1HE MET 85 37.882 6.944 -10.378 588 2HE MET 85 2HE MET 85 37.925 5.426 -11.272 589 3HE MET 85 3HE MET 85 39.247 6.583 -11.433 590 H VAL 86 H VAL 86 31.446 6.794 -11.706 591 HA VAL 86 HA VAL 86 31.933 4.125 -12.645 592 HB VAL 86 HB VAL 86 29.756 4.623 -11.718 593 1HG1 VAL 86 1HG1 VAL 86 29.579 6.666 -13.907 594 2HG1 VAL 86 2HG1 VAL 86 28.159 6.050 -13.063 595 3HG1 VAL 86 3HG1 VAL 86 29.415 6.904 -12.169 596 1HG2 VAL 86 1HG2 VAL 86 29.033 2.999 -13.042 597 2HG2 VAL 86 2HG2 VAL 86 28.575 4.217 -14.233 598 3HG2 VAL 86 3HG2 VAL 86 30.171 3.471 -14.303 599 H VAL 87 H VAL 87 32.745 3.575 -14.513 600 HA VAL 87 HA VAL 87 32.659 5.530 -16.717 601 HB VAL 87 HB VAL 87 34.652 4.329 -17.627 602 1HG1 VAL 87 1HG1 VAL 87 34.840 6.409 -16.308 603 2HG1 VAL 87 2HG1 VAL 87 35.055 5.437 -14.852 604 3HG1 VAL 87 3HG1 VAL 87 36.251 5.364 -16.147 605 1HG2 VAL 87 1HG2 VAL 87 34.414 2.840 -15.030 606 2HG2 VAL 87 2HG2 VAL 87 34.570 2.193 -16.662 607 3HG2 VAL 87 3HG2 VAL 87 35.946 2.980 -15.891 608 H GLY 88 H GLY 88 32.867 4.398 -18.931 609 1HA GLY 88 1HA GLY 88 32.297 2.339 -20.172 610 2HA GLY 88 2HA GLY 88 31.069 2.050 -18.945 611 H GLU 89 H GLU 89 29.066 2.651 -19.435 612 HA GLU 89 HA GLU 89 28.602 5.120 -20.843 613 1HB GLU 89 2HB GLU 89 28.901 3.406 -22.673 614 2HB GLU 89 1HB GLU 89 27.463 2.597 -22.058 615 1HG GLU 89 2HG GLU 89 26.280 3.891 -23.405 616 2HG GLU 89 1HG GLU 89 26.687 5.239 -22.346 617 HA PRO 90 HA PRO 90 25.371 3.959 -17.758 618 1HB PRO 90 2HB PRO 90 26.006 6.281 -16.224 619 2HB PRO 90 1HB PRO 90 26.323 4.596 -15.808 620 1HG PRO 90 2HG PRO 90 28.268 6.494 -16.358 621 2HG PRO 90 1HG PRO 90 28.503 4.739 -16.434 622 1HD PRO 90 2HD PRO 90 27.987 6.684 -18.647 623 2HD PRO 90 1HD PRO 90 29.046 5.256 -18.621 624 H THR 91 H THR 91 23.472 5.227 -17.076 625 HA THR 91 HA THR 91 22.535 6.876 -19.211 626 HB THR 91 HB THR 91 20.966 6.810 -16.715 627 HG1 THR 91 1HG THR 91 21.463 4.407 -18.187 628 1HG2 THR 91 1HG2 THR 91 20.128 7.569 -18.947 629 2HG2 THR 91 2HG2 THR 91 19.168 6.282 -18.217 630 3HG2 THR 91 3HG2 THR 91 20.298 5.907 -19.517 631 H LEU 92 H LEU 92 23.970 7.455 -16.147 632 HA LEU 92 HA LEU 92 24.222 10.252 -16.623 633 1HB LEU 92 2HB LEU 92 22.086 9.275 -14.841 634 2HB LEU 92 1HB LEU 92 23.143 10.459 -14.101 635 HG LEU 92 HG LEU 92 21.347 10.802 -16.488 636 1HD1 LEU 92 1HD1 LEU 92 20.272 11.191 -14.400 637 2HD1 LEU 92 2HD1 LEU 92 21.623 12.165 -13.817 638 3HD1 LEU 92 3HD1 LEU 92 20.603 12.763 -15.128 639 1HD2 LEU 92 1HD2 LEU 92 22.309 12.993 -16.851 640 2HD2 LEU 92 2HD2 LEU 92 23.481 12.724 -15.563 641 3HD2 LEU 92 3HD2 LEU 92 23.552 11.759 -17.036 642 H MET 93 H MET 93 24.310 10.382 -13.482 643 HA MET 93 HA MET 93 27.022 9.369 -13.183 644 1HB MET 93 2HB MET 93 26.905 10.297 -10.905 645 2HB MET 93 1HB MET 93 26.490 11.501 -12.110 646 1HG MET 93 2HG MET 93 24.410 9.957 -10.597 647 2HG MET 93 1HG MET 93 25.109 11.455 -9.991 648 1HE MET 93 1HE MET 93 22.425 11.130 -9.962 649 2HE MET 93 2HE MET 93 22.206 12.849 -10.288 650 3HE MET 93 3HE MET 93 21.377 11.651 -11.282 651 H GLY 94 H GLY 94 26.184 7.259 -13.798 652 1HA GLY 94 1HA GLY 94 25.825 5.036 -13.003 653 2HA GLY 94 2HA GLY 94 25.163 5.710 -11.515 654 H GLY 95 H GLY 95 23.216 7.189 -11.916 655 1HA GLY 95 1HA GLY 95 21.261 7.735 -13.050 656 2HA GLY 95 2HA GLY 95 21.659 6.541 -14.273 657 H GLU 96 H GLU 96 22.074 4.779 -11.678 658 HA GLU 96 HA GLU 96 19.517 3.511 -11.952 659 1HB GLU 96 2HB GLU 96 21.681 2.807 -9.973 660 2HB GLU 96 1HB GLU 96 20.422 1.759 -10.615 661 1HG GLU 96 2HG GLU 96 22.439 2.996 -12.442 662 2HG GLU 96 1HG GLU 96 22.831 1.546 -11.519 663 H PHE 97 H PHE 97 20.605 6.031 -10.055 664 HA PHE 97 HA PHE 97 19.051 5.411 -7.700 665 1HB PHE 97 2HB PHE 97 21.190 7.109 -8.226 666 2HB PHE 97 1HB PHE 97 19.831 8.200 -7.965 667 HD1 PHE 97 1HD PHE 97 22.381 7.761 -6.271 668 HD2 PHE 97 2HD PHE 97 18.399 6.295 -5.983 669 HE1 PHE 97 1HE PHE 97 22.653 7.506 -3.837 670 HE2 PHE 97 2HE PHE 97 18.664 6.037 -3.554 671 HZ PHE 97 HZ PHE 97 20.794 6.643 -2.477 672 H GLY 98 H GLY 98 18.125 6.153 -10.658 673 1HA GLY 98 1HA GLY 98 16.029 8.062 -9.879 674 2HA GLY 98 2HA GLY 98 16.466 7.641 -11.529 675 H ASP 99 H ASP 99 15.104 6.234 -8.562 676 HA ASP 99 HA ASP 99 13.792 4.179 -10.164 677 1HB ASP 99 2HB ASP 99 14.984 3.672 -7.970 678 2HB ASP 99 1HB ASP 99 13.647 4.485 -7.165 679 H GLU 100 H GLU 100 11.782 4.341 -10.815 680 HA GLU 100 HA GLU 100 10.132 6.546 -9.906 681 1HB GLU 100 2HB GLU 100 9.507 4.426 -11.967 682 2HB GLU 100 1HB GLU 100 8.655 5.945 -11.730 683 1HG GLU 100 2HG GLU 100 11.538 6.176 -12.250 684 2HG GLU 100 1HG GLU 100 10.566 5.557 -13.582 685 H ASP 101 H ASP 101 10.723 3.585 -8.717 686 HA ASP 101 HA ASP 101 8.065 2.619 -8.231 687 1HB ASP 101 2HB ASP 101 10.764 1.698 -7.791 688 2HB ASP 101 1HB ASP 101 9.809 1.489 -6.328 689 H GLU 102 H GLU 102 9.458 5.289 -7.127 690 HA GLU 102 HA GLU 102 8.526 5.038 -4.360 691 1HB GLU 102 2HB GLU 102 9.741 7.115 -3.929 692 2HB GLU 102 1HB GLU 102 10.800 5.902 -4.637 693 1HG GLU 102 2HG GLU 102 11.264 7.185 -6.385 694 2HG GLU 102 1HG GLU 102 9.565 7.582 -6.642 695 H ARG 103 H ARG 103 7.577 7.162 -3.514 696 HA ARG 103 HA ARG 103 5.827 8.602 -3.428 697 1HB ARG 103 2HB ARG 103 7.485 9.375 -5.539 698 2HB ARG 103 1HB ARG 103 5.852 9.496 -6.179 699 1HG ARG 103 2HG ARG 103 5.206 11.033 -4.501 700 2HG ARG 103 1HG ARG 103 6.666 10.722 -3.561 701 1HD ARG 103 2HD ARG 103 6.410 12.181 -6.177 702 2HD ARG 103 1HD ARG 103 6.992 12.802 -4.633 703 HE ARG 103 HE ARG 103 8.677 10.711 -5.337 704 1HH1 ARG 103 2HH1 ARG 103 7.823 13.907 -6.526 705 2HH1 ARG 103 1HH1 ARG 103 9.336 14.127 -7.362 706 1HH2 ARG 103 2HH2 ARG 103 10.647 11.008 -6.415 707 2HH2 ARG 103 1HH2 ARG 103 10.925 12.460 -7.334 708 H LEU 104 H LEU 104 4.964 6.053 -3.835 709 HA LEU 104 HA LEU 104 2.888 6.227 -5.889 710 1HB LEU 104 2HB LEU 104 2.655 3.907 -5.745 711 2HB LEU 104 1HB LEU 104 4.380 4.180 -5.601 712 HG LEU 104 HG LEU 104 2.931 4.052 -3.039 713 1HD1 LEU 104 1HD1 LEU 104 3.053 1.482 -3.225 714 2HD1 LEU 104 2HD1 LEU 104 1.670 2.323 -3.928 715 3HD1 LEU 104 3HD1 LEU 104 2.982 1.764 -4.966 716 1HD2 LEU 104 1HD2 LEU 104 5.296 2.428 -3.866 717 2HD2 LEU 104 2HD2 LEU 104 5.466 4.154 -3.556 718 3HD2 LEU 104 3HD2 LEU 104 4.884 3.084 -2.283 719 H ILE 105 H ILE 105 3.124 7.468 -3.024 720 HA ILE 105 HA ILE 105 0.893 6.346 -1.616 721 HB ILE 105 HB ILE 105 2.148 9.048 -1.143 722 1HG1 ILE 105 2HG1 ILE 105 3.086 6.300 -0.487 723 1HG2 ILE 105 1HG2 ILE 105 1.228 7.744 1.217 724 2HG2 ILE 105 2HG2 ILE 105 0.663 9.250 0.496 725 3HG2 ILE 105 3HG2 ILE 105 -0.065 7.715 0.018 726 1HD1 ILE 105 1HD1 ILE 105 2.918 8.416 1.544 727 2HD1 ILE 105 2HD1 ILE 105 3.045 6.666 1.718 728 3HD1 ILE 105 3HD1 ILE 105 4.484 7.622 1.362 729 H THR 106 H THR 106 -1.004 6.466 -2.614 730 HA THR 106 HA THR 106 -1.913 9.106 -3.547 731 HB THR 106 HB THR 106 -3.097 6.380 -4.113 732 HG1 THR 106 1HG THR 106 -1.421 8.102 -5.636 733 1HG2 THR 106 1HG2 THR 106 -4.917 7.454 -4.809 734 2HG2 THR 106 2HG2 THR 106 -3.934 8.357 -5.966 735 3HG2 THR 106 3HG2 THR 106 -4.195 8.997 -4.341 736 H ARG 107 H ARG 107 -3.040 10.133 -2.005 737 HA ARG 107 HA ARG 107 -4.685 8.503 -0.194 738 1HB ARG 107 2HB ARG 107 -2.566 8.982 0.918 739 2HB ARG 107 1HB ARG 107 -2.767 10.699 0.602 740 1HG ARG 107 2HG ARG 107 -5.043 9.590 2.006 741 2HG ARG 107 1HG ARG 107 -3.528 9.338 2.880 742 1HD ARG 107 2HD ARG 107 -3.063 11.646 2.944 743 2HD ARG 107 1HD ARG 107 -4.285 12.003 1.721 744 HE ARG 107 HE ARG 107 -5.868 12.084 3.367 745 1HH1 ARG 107 2HH1 ARG 107 -2.996 10.525 4.656 746 2HH1 ARG 107 1HH1 ARG 107 -3.635 10.417 6.272 747 1HH2 ARG 107 2HH2 ARG 107 -6.696 11.955 5.446 748 2HH2 ARG 107 1HH2 ARG 107 -5.760 11.229 6.727 749 H LEU 108 H LEU 108 -6.685 9.119 -0.440 750 HA LEU 108 HA LEU 108 -7.271 11.989 -0.477 751 1HB LEU 108 2HB LEU 108 -8.518 9.857 -2.213 752 2HB LEU 108 1HB LEU 108 -9.283 11.406 -1.921 753 HG LEU 108 HG LEU 108 -6.679 12.019 -2.758 754 1HD1 LEU 108 1HD1 LEU 108 -7.153 9.465 -3.627 755 2HD1 LEU 108 2HD1 LEU 108 -7.679 10.444 -4.996 756 3HD1 LEU 108 3HD1 LEU 108 -6.040 10.615 -4.368 757 1HD2 LEU 108 1HD2 LEU 108 -8.908 13.158 -3.166 758 2HD2 LEU 108 2HD2 LEU 108 -7.772 13.137 -4.515 759 3HD2 LEU 108 3HD2 LEU 108 -9.133 12.015 -4.490 760 H GLU 109 H GLU 109 -9.486 12.429 0.294 761 HA GLU 109 HA GLU 109 -10.440 10.369 2.149 762 1HB GLU 109 2HB GLU 109 -10.858 12.447 3.705 763 2HB GLU 109 1HB GLU 109 -9.282 11.668 3.673 764 1HG GLU 109 2HG GLU 109 -9.535 13.776 1.690 765 2HG GLU 109 1HG GLU 109 -9.801 14.347 3.336 766 H ASN 110 H ASN 110 -12.631 10.810 2.953 767 HA ASN 110 HA ASN 110 -14.400 11.550 0.867 768 1HB ASN 110 2HB ASN 110 -16.031 10.686 2.194 769 2HB ASN 110 1HB ASN 110 -14.668 10.048 3.104 770 1HD2 ASN 110 1HD2 ASN 110 -17.395 12.032 3.157 771 2HD2 ASN 110 2HD2 ASN 110 -17.200 12.671 4.760 772 H THR 111 H THR 111 -12.747 13.282 3.272 773 HA THR 111 HA THR 111 -14.481 15.588 3.272 774 HB THR 111 HB THR 111 -12.055 16.355 4.369 775 HG1 THR 111 1HG THR 111 -11.407 14.579 5.637 776 1HG2 THR 111 1HG2 THR 111 -14.686 16.098 5.156 777 2HG2 THR 111 2HG2 THR 111 -13.372 16.738 6.143 778 3HG2 THR 111 3HG2 THR 111 -13.827 15.040 6.274 779 H GLN 112 H GLN 112 -12.437 14.348 1.040 780 HA GLN 112 HA GLN 112 -11.368 16.946 0.183 781 1HB GLN 112 2HB GLN 112 -10.133 14.495 0.352 782 2HB GLN 112 1HB GLN 112 -10.559 14.582 -1.352 783 1HG GLN 112 2HG GLN 112 -9.434 17.074 -0.470 784 2HG GLN 112 1HG GLN 112 -8.358 15.731 -0.084 785 1HE2 GLN 112 1HE2 GLN 112 -7.056 15.050 -1.617 786 2HE2 GLN 112 2HE2 GLN 112 -7.227 15.373 -3.321 787 H PHE 113 H PHE 113 -11.736 14.413 -2.153 788 HA PHE 113 HA PHE 113 -13.656 16.101 -3.582 789 1HB PHE 113 2HB PHE 113 -11.495 14.302 -4.357 790 2HB PHE 113 1HB PHE 113 -12.972 14.005 -5.267 791 HD1 PHE 113 1HD PHE 113 -10.211 15.148 -6.163 792 HD2 PHE 113 2HD PHE 113 -13.953 16.918 -5.177 793 HE1 PHE 113 1HE PHE 113 -9.687 17.056 -7.621 794 HE2 PHE 113 2HE PHE 113 -13.434 18.832 -6.636 795 HZ PHE 113 HZ PHE 113 -11.300 18.902 -7.861 796 H ASP 114 H ASP 114 -13.454 13.129 -1.880 797 HA ASP 114 HA ASP 114 -15.646 11.811 -3.129 798 1HB ASP 114 2HB ASP 114 -13.692 10.978 -1.456 799 2HB ASP 114 1HB ASP 114 -15.015 11.151 -0.307 800 H ALA 115 H ALA 115 -17.473 11.047 -1.471 801 HA ALA 115 HA ALA 115 -18.767 13.543 -0.613 802 1HB ALA 115 1HB ALA 115 -19.730 11.590 -2.228 803 2HB ALA 115 2HB ALA 115 -20.361 11.073 -0.665 804 3HB ALA 115 3HB ALA 115 -20.740 12.681 -1.278 805 H ALA 116 H ALA 116 -20.323 13.219 1.303 806 HA ALA 116 HA ALA 116 -18.801 12.063 3.495 807 1HB ALA 116 1HB ALA 116 -20.571 14.233 3.238 808 2HB ALA 116 2HB ALA 116 -21.337 13.081 4.331 809 3HB ALA 116 3HB ALA 116 -19.721 13.689 4.685 810 H ASN 117 H ASN 117 -20.199 10.456 1.406 811 HA ASN 117 HA ASN 117 -22.100 8.934 3.040 812 1HB ASN 117 2HB ASN 117 -22.516 9.700 0.565 813 2HB ASN 117 1HB ASN 117 -21.493 8.325 0.164 814 1HD2 ASN 117 1HD2 ASN 117 -23.404 7.547 -0.926 815 2HD2 ASN 117 2HD2 ASN 117 -24.623 6.715 -0.015 816 H GLY 118 H GLY 118 -19.329 8.893 3.673 817 1HA GLY 118 1HA GLY 118 -17.818 7.271 4.349 818 2HA GLY 118 2HA GLY 118 -18.816 6.055 3.562 819 H ILE 119 H ILE 119 -18.457 5.533 1.432 820 HA ILE 119 HA ILE 119 -16.208 6.850 0.087 821 HB ILE 119 HB ILE 119 -16.086 4.262 -0.865 822 1HG1 ILE 119 2HG1 ILE 119 -15.636 3.428 1.793 823 1HG2 ILE 119 1HG2 ILE 119 -14.451 5.829 1.090 824 2HG2 ILE 119 2HG2 ILE 119 -13.987 4.188 0.639 825 3HG2 ILE 119 3HG2 ILE 119 -14.111 5.440 -0.597 826 1HD1 ILE 119 1HD1 ILE 119 -18.094 2.353 0.896 827 2HD1 ILE 119 2HD1 ILE 119 -17.017 2.496 -0.494 828 3HD1 ILE 119 3HD1 ILE 119 -16.501 1.594 0.931 829 H ASP 120 H ASP 120 -17.042 7.769 -1.665 830 HA ASP 120 HA ASP 120 -19.169 6.319 -3.111 831 1HB ASP 120 2HB ASP 120 -20.078 8.347 -2.199 832 2HB ASP 120 1HB ASP 120 -18.708 9.289 -2.782 833 H ASP 121 H ASP 121 -16.160 8.068 -3.320 834 HA ASP 121 HA ASP 121 -16.022 7.969 -6.205 835 1HB ASP 121 2HB ASP 121 -14.895 9.700 -4.692 836 2HB ASP 121 1HB ASP 121 -13.719 8.446 -4.314 837 H GLU 122 H GLU 122 -15.285 6.352 -7.398 838 HA GLU 122 HA GLU 122 -14.464 4.341 -8.039 839 1HB GLU 122 2HB GLU 122 -12.511 5.365 -6.152 840 2HB GLU 122 1HB GLU 122 -12.555 3.607 -6.144 841 1HG GLU 122 2HG GLU 122 -12.419 5.097 -8.727 842 2HG GLU 122 1HG GLU 122 -10.967 4.842 -7.762 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -24.324 -3.054 4.393 2 2H GLY 1 2H GLY 1 -23.950 -4.358 5.413 3 3H GLY 1 3H GLY 1 -24.957 -4.595 4.071 4 1HA GLY 1 2HA GLY 1 -22.094 -3.834 3.956 5 2HA GLY 1 1HA GLY 1 -22.729 -5.448 3.664 6 H SER 2 H SER 2 -22.061 -2.388 2.342 7 HA SER 2 HA SER 2 -23.304 -3.205 -0.204 8 1HB SER 2 2HB SER 2 -22.897 -0.329 0.103 9 2HB SER 2 1HB SER 2 -24.338 -1.212 -0.405 10 HG SER 2 HG SER 2 -25.109 -0.820 1.498 11 H LEU 3 H LEU 3 -20.517 -3.206 1.207 12 HA LEU 3 HA LEU 3 -18.337 -3.017 0.629 13 1HB LEU 3 2HB LEU 3 -19.712 -3.832 -1.703 14 2HB LEU 3 1HB LEU 3 -18.547 -2.624 -2.208 15 HG LEU 3 HG LEU 3 -17.857 -5.113 -2.224 16 1HD1 LEU 3 1HD1 LEU 3 -15.556 -4.314 -1.141 17 2HD1 LEU 3 2HD1 LEU 3 -16.099 -3.782 -2.734 18 3HD1 LEU 3 3HD1 LEU 3 -16.335 -2.741 -1.329 19 1HD2 LEU 3 1HD2 LEU 3 -16.798 -5.797 -0.058 20 2HD2 LEU 3 2HD2 LEU 3 -17.672 -4.474 0.712 21 3HD2 LEU 3 3HD2 LEU 3 -18.561 -5.789 -0.055 22 H SER 4 H SER 4 -19.537 -0.689 1.445 23 HA SER 4 HA SER 4 -18.933 1.417 -0.419 24 1HB SER 4 2HB SER 4 -19.634 1.814 2.482 25 2HB SER 4 1HB SER 4 -19.979 2.869 1.108 26 HG SER 4 HG SER 4 -21.598 1.135 2.136 27 H TRP 5 H TRP 5 -17.070 -0.379 1.642 28 HA TRP 5 HA TRP 5 -15.281 1.762 2.413 29 1HB TRP 5 2HB TRP 5 -13.856 -0.026 3.357 30 2HB TRP 5 1HB TRP 5 -15.493 -0.060 3.989 31 HD1 TRP 5 HD TRP 5 -15.001 -1.700 0.584 32 HE1 TRP 5 1HE TRP 5 -15.159 -4.257 0.866 33 HE3 TRP 5 3HE TRP 5 -14.974 -1.949 5.673 34 HZ2 TRP 5 2HZ TRP 5 -15.269 -6.130 2.979 35 HZ3 TRP 5 3HZ TRP 5 -15.114 -4.154 6.756 36 HH2 TRP 5 HH TRP 5 -15.255 -6.205 5.434 37 H LYS 6 H LYS 6 -12.892 1.416 1.884 38 HA LYS 6 HA LYS 6 -12.779 1.120 -1.008 39 1HB LYS 6 2HB LYS 6 -11.324 2.658 0.995 40 2HB LYS 6 1HB LYS 6 -10.267 1.923 -0.204 41 1HG LYS 6 2HG LYS 6 -10.715 3.915 -1.217 42 2HG LYS 6 1HG LYS 6 -12.012 2.930 -1.892 43 1HD LYS 6 2HD LYS 6 -13.631 3.925 -0.558 44 2HD LYS 6 1HD LYS 6 -12.454 4.466 0.640 45 1HE LYS 6 2HE LYS 6 -11.531 5.950 -1.246 46 2HE LYS 6 1HE LYS 6 -13.058 5.624 -2.061 47 1HZ LYS 6 1HZ LYS 6 -12.521 7.500 -0.036 48 2HZ LYS 6 2HZ LYS 6 -13.638 6.365 0.569 49 3HZ LYS 6 3HZ LYS 6 -13.980 7.211 -0.857 50 H ARG 7 H ARG 7 -12.128 -0.638 1.702 51 HA ARG 7 HA ARG 7 -11.370 -2.721 2.059 52 1HB ARG 7 2HB ARG 7 -12.142 -4.029 0.443 53 2HB ARG 7 1HB ARG 7 -12.171 -2.665 -0.657 54 1HG ARG 7 2HG ARG 7 -10.716 -3.771 -1.903 55 2HG ARG 7 1HG ARG 7 -9.517 -3.476 -0.643 56 1HD ARG 7 2HD ARG 7 -11.399 -5.807 -0.530 57 2HD ARG 7 1HD ARG 7 -9.873 -5.884 -1.408 58 HE ARG 7 HE ARG 7 -8.777 -5.359 0.749 59 1HH1 ARG 7 2HH1 ARG 7 -12.049 -6.603 0.789 60 2HH1 ARG 7 1HH1 ARG 7 -11.868 -7.388 2.335 61 1HH2 ARG 7 2HH2 ARG 7 -8.512 -6.408 2.736 62 2HH2 ARG 7 1HH2 ARG 7 -9.843 -7.268 3.452 63 H CYS 8 H CYS 8 -9.591 -2.723 3.128 64 HA CYS 8 HA CYS 8 -7.139 -1.639 2.263 65 1HB CYS 8 2HB CYS 8 -8.026 -1.826 4.651 66 2HB CYS 8 1HB CYS 8 -7.551 -3.521 4.591 67 H ALA 9 H ALA 9 -5.139 -2.719 2.070 68 HA ALA 9 HA ALA 9 -5.328 -5.540 1.245 69 1HB ALA 9 1HB ALA 9 -3.027 -3.941 0.306 70 2HB ALA 9 2HB ALA 9 -3.967 -5.178 -0.528 71 3HB ALA 9 3HB ALA 9 -4.594 -3.537 -0.394 72 H GLY 10 H GLY 10 -4.668 -3.858 3.810 73 1HA GLY 10 1HA GLY 10 -2.053 -5.110 4.348 74 2HA GLY 10 2HA GLY 10 -2.648 -3.650 5.122 75 H CYS 11 H CYS 11 -5.271 -4.612 5.761 76 HA CYS 11 HA CYS 11 -4.539 -6.602 7.804 77 1HB CYS 11 2HB CYS 11 -6.099 -5.431 9.325 78 2HB CYS 11 1HB CYS 11 -4.772 -4.401 8.799 79 H GLY 12 H GLY 12 -7.652 -5.696 8.259 80 1HA GLY 12 1HA GLY 12 -8.676 -8.189 7.170 81 2HA GLY 12 2HA GLY 12 -9.549 -7.058 8.196 82 H GLY 13 H GLY 13 -9.111 -4.707 6.678 83 1HA GLY 13 1HA GLY 13 -9.333 -4.321 4.170 84 2HA GLY 13 2HA GLY 13 -10.746 -5.350 4.305 85 H LYS 14 H LYS 14 -10.937 -3.804 7.093 86 HA LYS 14 HA LYS 14 -12.798 -1.861 6.003 87 1HB LYS 14 2HB LYS 14 -13.408 -3.293 7.954 88 2HB LYS 14 1HB LYS 14 -12.166 -2.480 8.896 89 1HG LYS 14 2HG LYS 14 -13.562 -0.842 9.402 90 2HG LYS 14 1HG LYS 14 -13.874 -0.529 7.695 91 1HD LYS 14 2HD LYS 14 -15.326 -2.795 8.110 92 2HD LYS 14 1HD LYS 14 -15.477 -1.984 9.670 93 1HE LYS 14 2HE LYS 14 -16.162 0.079 8.451 94 2HE LYS 14 1HE LYS 14 -16.171 -0.862 6.962 95 1HZ LYS 14 1HZ LYS 14 -17.691 -2.026 9.125 96 2HZ LYS 14 2HZ LYS 14 -18.099 -1.831 7.491 97 3HZ LYS 14 3HZ LYS 14 -18.290 -0.539 8.572 98 H ILE 15 H ILE 15 -11.219 -0.486 5.021 99 HA ILE 15 HA ILE 15 -9.217 0.856 6.527 100 HB ILE 15 HB ILE 15 -10.490 2.075 4.095 101 1HG1 ILE 15 2HG1 ILE 15 -8.653 -0.321 4.153 102 1HG2 ILE 15 1HG2 ILE 15 -8.059 2.423 5.635 103 2HG2 ILE 15 2HG2 ILE 15 -7.736 2.209 3.912 104 3HG2 ILE 15 3HG2 ILE 15 -8.818 3.493 4.454 105 1HD1 ILE 15 1HD1 ILE 15 -9.054 1.714 2.023 106 2HD1 ILE 15 2HD1 ILE 15 -7.598 0.832 2.486 107 3HD1 ILE 15 3HD1 ILE 15 -8.872 0.019 1.580 108 H ALA 16 H ALA 16 -9.193 3.047 7.155 109 HA ALA 16 HA ALA 16 -11.793 4.222 7.829 110 1HB ALA 16 1HB ALA 16 -10.702 5.156 9.543 111 2HB ALA 16 2HB ALA 16 -9.214 4.366 9.022 112 3HB ALA 16 3HB ALA 16 -9.617 5.973 8.416 113 H ASP 17 H ASP 17 -12.213 4.217 5.536 114 HA ASP 17 HA ASP 17 -10.555 5.266 3.628 115 1HB ASP 17 2HB ASP 17 -13.391 5.653 3.013 116 2HB ASP 17 1HB ASP 17 -12.154 4.771 2.130 117 H ARG 18 H ARG 18 -12.100 7.068 5.961 118 HA ARG 18 HA ARG 18 -12.566 9.485 4.522 119 1HB ARG 18 2HB ARG 18 -13.090 10.374 6.536 120 2HB ARG 18 1HB ARG 18 -13.075 8.702 7.076 121 1HG ARG 18 2HG ARG 18 -10.603 9.116 7.592 122 2HG ARG 18 1HG ARG 18 -10.999 10.836 7.412 123 1HD ARG 18 2HD ARG 18 -11.109 9.606 9.760 124 2HD ARG 18 1HD ARG 18 -12.252 10.873 9.320 125 HE ARG 18 HE ARG 18 -13.857 9.099 8.775 126 1HH1 ARG 18 2HH1 ARG 18 -11.076 8.208 10.731 127 2HH1 ARG 18 1HH1 ARG 18 -11.885 6.862 11.481 128 1HH2 ARG 18 2HH2 ARG 18 -14.911 7.334 9.777 129 2HH2 ARG 18 1HH2 ARG 18 -14.061 6.390 10.960 130 H PHE 19 H PHE 19 -9.860 7.701 5.225 131 HA PHE 19 HA PHE 19 -8.027 9.732 4.322 132 1HB PHE 19 2HB PHE 19 -8.159 8.868 7.179 133 2HB PHE 19 1HB PHE 19 -6.588 9.156 6.451 134 HD1 PHE 19 1HD PHE 19 -9.029 10.595 8.370 135 HD2 PHE 19 2HD PHE 19 -6.623 11.442 4.962 136 HE1 PHE 19 1HE PHE 19 -9.233 12.996 8.831 137 HE2 PHE 19 2HE PHE 19 -6.811 13.838 5.429 138 HZ PHE 19 HZ PHE 19 -8.119 14.628 7.366 139 H LEU 20 H LEU 20 -8.225 7.802 2.807 140 HA LEU 20 HA LEU 20 -6.600 5.548 3.746 141 1HB LEU 20 2HB LEU 20 -7.845 4.148 2.498 142 2HB LEU 20 1HB LEU 20 -9.028 5.425 2.688 143 HG LEU 20 HG LEU 20 -7.380 5.892 0.362 144 1HD1 LEU 20 1HD1 LEU 20 -9.043 3.405 0.213 145 2HD1 LEU 20 2HD1 LEU 20 -7.878 4.031 -0.953 146 3HD1 LEU 20 3HD1 LEU 20 -7.316 3.355 0.574 147 1HD2 LEU 20 1HD2 LEU 20 -10.257 5.224 0.179 148 2HD2 LEU 20 2HD2 LEU 20 -9.810 6.621 1.161 149 3HD2 LEU 20 3HD2 LEU 20 -9.345 6.554 -0.539 150 H LEU 21 H LEU 21 -5.374 4.415 1.998 151 HA LEU 21 HA LEU 21 -3.903 6.370 0.357 152 1HB LEU 21 2HB LEU 21 -2.826 5.169 2.445 153 2HB LEU 21 1HB LEU 21 -2.666 3.828 1.329 154 HG LEU 21 HG LEU 21 -1.662 6.424 0.347 155 1HD1 LEU 21 1HD1 LEU 21 -1.068 6.064 2.887 156 2HD1 LEU 21 2HD1 LEU 21 0.126 4.959 2.205 157 3HD1 LEU 21 3HD1 LEU 21 0.128 6.658 1.733 158 1HD2 LEU 21 1HD2 LEU 21 -1.508 4.212 -0.837 159 2HD2 LEU 21 2HD2 LEU 21 0.021 5.066 -0.634 160 3HD2 LEU 21 3HD2 LEU 21 -0.375 3.705 0.416 161 H TYR 22 H TYR 22 -3.196 5.681 -1.688 162 HA TYR 22 HA TYR 22 -4.394 3.162 -2.663 163 1HB TYR 22 2HB TYR 22 -3.819 5.472 -4.497 164 2HB TYR 22 1HB TYR 22 -4.949 4.143 -4.718 165 HD1 TYR 22 1HD TYR 22 -4.491 7.500 -3.450 166 HD2 TYR 22 2HD TYR 22 -7.118 4.160 -3.475 167 HE1 TYR 22 1HE TYR 22 -6.328 8.952 -2.707 168 HE2 TYR 22 2HE TYR 22 -8.965 5.602 -2.728 169 HH TYR 22 HH TYR 22 -8.515 8.702 -1.510 170 H ALA 23 H ALA 23 -2.648 1.807 -2.580 171 HA ALA 23 HA ALA 23 -0.312 2.585 -4.189 172 1HB ALA 23 1HB ALA 23 0.334 2.969 -1.895 173 2HB ALA 23 2HB ALA 23 -0.201 1.351 -1.442 174 3HB ALA 23 3HB ALA 23 1.184 1.553 -2.517 175 H MET 24 H MET 24 0.643 0.981 -5.348 176 HA MET 24 HA MET 24 0.895 -0.994 -6.444 177 1HB MET 24 2HB MET 24 -0.071 -2.035 -3.787 178 2HB MET 24 1HB MET 24 0.359 -3.109 -5.109 179 1HG MET 24 2HG MET 24 2.597 -2.620 -4.960 180 2HG MET 24 1HG MET 24 2.313 -1.046 -4.220 181 1HE MET 24 1HE MET 24 4.442 -3.770 -2.623 182 2HE MET 24 2HE MET 24 3.178 -4.997 -2.530 183 3HE MET 24 3HE MET 24 3.523 -4.200 -4.065 184 H ASP 25 H ASP 25 -1.590 0.501 -6.666 185 HA ASP 25 HA ASP 25 -3.607 0.366 -7.686 186 1HB ASP 25 2HB ASP 25 -2.279 -2.081 -8.584 187 2HB ASP 25 1HB ASP 25 -4.036 -2.204 -8.573 188 H SER 26 H SER 26 -3.027 -0.645 -4.855 189 HA SER 26 HA SER 26 -5.728 -1.719 -4.435 190 1HB SER 26 2HB SER 26 -3.693 -2.469 -2.425 191 2HB SER 26 1HB SER 26 -5.019 -3.419 -3.095 192 HG SER 26 HG SER 26 -3.002 -2.827 -4.883 193 H TYR 27 H TYR 27 -6.509 -1.270 -2.206 194 HA TYR 27 HA TYR 27 -5.618 1.417 -1.452 195 1HB TYR 27 2HB TYR 27 -8.216 -0.013 -0.859 196 2HB TYR 27 1HB TYR 27 -7.828 1.640 -0.387 197 HD1 TYR 27 1HD TYR 27 -10.200 0.843 -2.044 198 HD2 TYR 27 2HD TYR 27 -6.272 2.033 -3.179 199 HE1 TYR 27 1HE TYR 27 -11.062 1.611 -4.216 200 HE2 TYR 27 2HE TYR 27 -7.129 2.808 -5.348 201 HH TYR 27 HH TYR 27 -10.514 3.073 -6.007 202 H TRP 28 H TRP 28 -5.441 1.954 0.787 203 HA TRP 28 HA TRP 28 -4.724 -0.308 2.513 204 1HB TRP 28 2HB TRP 28 -2.909 1.950 1.641 205 2HB TRP 28 1HB TRP 28 -2.548 0.870 2.979 206 HD1 TRP 28 HD TRP 28 -2.795 0.909 -0.846 207 HE1 TRP 28 1HE TRP 28 -1.451 -1.083 -1.762 208 HE3 TRP 28 3HE TRP 28 -1.718 -1.428 3.567 209 HZ2 TRP 28 2HZ TRP 28 -0.104 -3.335 -0.742 210 HZ3 TRP 28 3HZ TRP 28 -0.393 -3.501 3.508 211 HH2 TRP 28 HH TRP 28 0.392 -4.438 1.400 212 H HIS 29 H HIS 29 -3.856 0.503 4.613 213 HA HIS 29 HA HIS 29 -5.461 2.726 5.665 214 1HB HIS 29 2HB HIS 29 -4.230 0.290 6.801 215 2HB HIS 29 1HB HIS 29 -4.108 1.732 7.800 216 HD2 HIS 29 2HD HIS 29 -6.859 2.982 8.042 217 HE1 HIS 29 1HE HIS 29 -8.441 -0.941 8.290 218 HE2 HIS 29 2HE HIS 29 -8.786 1.488 8.956 219 H SER 30 H SER 30 -4.251 4.050 7.334 220 HA SER 30 HA SER 30 -1.861 5.181 6.252 221 1HB SER 30 2HB SER 30 -2.312 5.809 9.034 222 2HB SER 30 1HB SER 30 -2.466 6.852 7.621 223 HG SER 30 HG SER 30 -4.438 6.383 8.971 224 H ARG 31 H ARG 31 -2.678 2.937 8.805 225 HA ARG 31 HA ARG 31 0.062 2.664 9.695 226 1HB ARG 31 2HB ARG 31 -1.304 2.417 11.516 227 2HB ARG 31 1HB ARG 31 -2.600 1.685 10.585 228 1HG ARG 31 2HG ARG 31 -0.195 0.017 10.812 229 2HG ARG 31 1HG ARG 31 -0.996 0.369 12.345 230 1HD ARG 31 2HD ARG 31 -3.168 -0.282 11.061 231 2HD ARG 31 1HD ARG 31 -2.055 -1.076 9.948 232 HE ARG 31 HE ARG 31 -1.900 -1.698 12.809 233 1HH1 ARG 31 2HH1 ARG 31 -2.753 -2.686 9.546 234 2HH1 ARG 31 1HH1 ARG 31 -2.734 -4.384 9.934 235 1HH2 ARG 31 2HH2 ARG 31 -1.921 -3.923 13.312 236 2HH2 ARG 31 1HH2 ARG 31 -2.309 -5.085 12.074 237 H CYS 32 H CYS 32 -2.197 0.909 7.657 238 HA CYS 32 HA CYS 32 -0.671 -1.500 7.671 239 1HB CYS 32 2HB CYS 32 -2.976 -0.586 5.952 240 2HB CYS 32 1HB CYS 32 -2.258 -2.194 5.855 241 H LEU 33 H LEU 33 -0.783 1.320 5.614 242 HA LEU 33 HA LEU 33 1.054 0.133 3.694 243 1HB LEU 33 2HB LEU 33 -0.724 2.089 3.329 244 2HB LEU 33 1HB LEU 33 0.630 3.079 3.841 245 HG LEU 33 HG LEU 33 0.199 2.580 1.292 246 1HD1 LEU 33 1HD1 LEU 33 2.074 3.747 1.227 247 2HD1 LEU 33 2HD1 LEU 33 2.490 3.230 2.861 248 3HD1 LEU 33 3HD1 LEU 33 2.984 2.256 1.476 249 1HD2 LEU 33 1HD2 LEU 33 1.647 0.704 0.534 250 2HD2 LEU 33 2HD2 LEU 33 1.739 0.163 2.211 251 3HD2 LEU 33 3HD2 LEU 33 0.185 0.194 1.377 252 H LYS 34 H LYS 34 2.465 -0.501 5.410 253 HA LYS 34 HA LYS 34 4.049 1.696 6.568 254 1HB LYS 34 2HB LYS 34 4.573 -0.025 8.355 255 2HB LYS 34 1HB LYS 34 2.925 0.588 8.327 256 1HG LYS 34 2HG LYS 34 2.222 -1.505 8.289 257 2HG LYS 34 1HG LYS 34 2.901 -1.648 6.668 258 1HD LYS 34 2HD LYS 34 5.116 -2.158 7.863 259 2HD LYS 34 1HD LYS 34 4.121 -2.430 9.294 260 1HE LYS 34 2HE LYS 34 3.615 -3.799 6.663 261 2HE LYS 34 1HE LYS 34 4.679 -4.469 7.899 262 1HZ LYS 34 1HZ LYS 34 2.223 -5.180 7.843 263 2HZ LYS 34 2HZ LYS 34 1.921 -3.685 8.584 264 3HZ LYS 34 3HZ LYS 34 2.934 -4.817 9.340 265 H CYS 35 H CYS 35 6.139 1.281 7.105 266 HA CYS 35 HA CYS 35 7.752 0.402 5.017 267 1HB CYS 35 2HB CYS 35 8.073 1.279 7.838 268 2HB CYS 35 1HB CYS 35 9.453 0.620 6.994 269 H SER 36 H SER 36 9.501 -1.211 5.234 270 HA SER 36 HA SER 36 8.492 -3.690 6.391 271 1HB SER 36 2HB SER 36 11.088 -3.649 4.951 272 2HB SER 36 1HB SER 36 9.756 -4.799 4.847 273 HG SER 36 HG SER 36 8.794 -2.567 3.905 274 H SER 37 H SER 37 10.744 -1.199 7.034 275 HA SER 37 HA SER 37 12.008 -2.840 9.120 276 1HB SER 37 2HB SER 37 13.308 -0.305 8.283 277 2HB SER 37 1HB SER 37 14.030 -1.855 8.718 278 HG SER 37 HG SER 37 13.585 -0.871 6.293 279 H CYS 38 H CYS 38 11.383 0.627 8.472 280 HA CYS 38 HA CYS 38 11.320 1.432 11.139 281 1HB CYS 38 2HB CYS 38 9.628 2.761 9.041 282 2HB CYS 38 1HB CYS 38 10.548 3.498 10.348 283 H GLN 39 H GLN 39 8.765 0.279 9.027 284 HA GLN 39 HA GLN 39 6.570 -0.230 9.312 285 1HB GLN 39 2HB GLN 39 7.572 -1.194 11.994 286 2HB GLN 39 1HB GLN 39 6.072 -1.678 11.207 287 1HG GLN 39 2HG GLN 39 7.485 -2.545 9.311 288 2HG GLN 39 1HG GLN 39 8.888 -2.281 10.346 289 1HE2 GLN 39 1HE2 GLN 39 9.550 -4.224 10.955 290 2HE2 GLN 39 2HE2 GLN 39 8.550 -5.463 11.645 291 H ALA 40 H ALA 40 7.069 2.448 9.884 292 HA ALA 40 HA ALA 40 5.581 3.073 12.299 293 1HB ALA 40 1HB ALA 40 7.695 4.295 11.214 294 2HB ALA 40 2HB ALA 40 6.407 5.221 10.438 295 3HB ALA 40 3HB ALA 40 6.501 5.142 12.198 296 H GLN 41 H GLN 41 4.585 5.569 11.045 297 HA GLN 41 HA GLN 41 2.225 4.429 9.723 298 1HB GLN 41 2HB GLN 41 2.343 6.231 11.762 299 2HB GLN 41 1HB GLN 41 2.252 7.307 10.374 300 1HG GLN 41 2HG GLN 41 0.069 7.005 10.321 301 2HG GLN 41 1HG GLN 41 0.330 5.298 9.960 302 1HE2 GLN 41 1HE2 GLN 41 0.160 7.593 12.643 303 2HE2 GLN 41 2HE2 GLN 41 -0.538 6.479 13.773 304 H LEU 42 H LEU 42 3.929 4.131 7.990 305 HA LEU 42 HA LEU 42 5.024 6.258 6.561 306 1HB LEU 42 2HB LEU 42 5.708 3.895 6.351 307 2HB LEU 42 1HB LEU 42 4.192 3.536 5.550 308 HG LEU 42 HG LEU 42 4.874 5.135 3.729 309 1HD1 LEU 42 1HD1 LEU 42 6.608 6.240 5.265 310 2HD1 LEU 42 2HD1 LEU 42 7.649 4.881 4.832 311 3HD1 LEU 42 3HD1 LEU 42 7.045 5.964 3.577 312 1HD2 LEU 42 1HD2 LEU 42 6.739 2.810 4.179 313 2HD2 LEU 42 2HD2 LEU 42 5.088 2.670 3.580 314 3HD2 LEU 42 3HD2 LEU 42 6.296 3.537 2.631 315 H GLY 43 H GLY 43 1.873 4.748 6.386 316 1HA GLY 43 1HA GLY 43 1.088 6.130 3.991 317 2HA GLY 43 2HA GLY 43 0.052 5.167 5.031 318 H ASP 44 H ASP 44 1.829 7.588 6.671 319 HA ASP 44 HA ASP 44 -0.427 9.464 6.462 320 1HB ASP 44 2HB ASP 44 -0.481 7.976 8.552 321 2HB ASP 44 1HB ASP 44 0.927 8.883 9.089 322 H ILE 45 H ILE 45 2.634 9.147 5.725 323 HA ILE 45 HA ILE 45 3.604 11.613 6.942 324 HB ILE 45 HB ILE 45 5.764 11.127 5.952 325 1HG1 ILE 45 2HG1 ILE 45 4.657 8.543 4.871 326 1HG2 ILE 45 1HG2 ILE 45 5.796 8.591 6.945 327 2HG2 ILE 45 2HG2 ILE 45 5.900 10.063 7.913 328 3HG2 ILE 45 3HG2 ILE 45 4.346 9.257 7.697 329 1HD1 ILE 45 1HD1 ILE 45 6.894 9.816 3.519 330 2HD1 ILE 45 2HD1 ILE 45 7.238 9.368 5.188 331 3HD1 ILE 45 3HD1 ILE 45 6.681 8.146 4.046 332 H GLY 46 H GLY 46 2.417 10.431 3.896 333 1HA GLY 46 1HA GLY 46 1.424 11.856 2.302 334 2HA GLY 46 2HA GLY 46 2.385 13.189 2.929 335 H THR 47 H THR 47 4.863 11.591 2.817 336 HA THR 47 HA THR 47 5.589 12.227 0.115 337 HB THR 47 HB THR 47 7.483 10.646 1.732 338 HG1 THR 47 1HG THR 47 6.995 13.283 2.624 339 1HG2 THR 47 1HG2 THR 47 8.805 11.713 0.287 340 2HG2 THR 47 2HG2 THR 47 8.487 13.196 1.187 341 3HG2 THR 47 3HG2 THR 47 7.492 12.780 -0.210 342 H SER 48 H SER 48 6.315 10.776 -1.479 343 HA SER 48 HA SER 48 4.952 8.274 -1.493 344 1HB SER 48 2HB SER 48 7.013 9.018 -3.531 345 2HB SER 48 1HB SER 48 5.502 8.139 -3.748 346 HG SER 48 HG SER 48 5.819 10.574 -4.331 347 H SER 49 H SER 49 5.722 6.248 -1.299 348 HA SER 49 HA SER 49 8.381 5.958 -0.168 349 1HB SER 49 2HB SER 49 7.315 3.536 0.143 350 2HB SER 49 1HB SER 49 6.858 4.875 1.195 351 HG SER 49 HG SER 49 5.097 3.626 0.223 352 H TYR 50 H TYR 50 9.018 3.380 -0.734 353 HA TYR 50 HA TYR 50 9.154 3.221 -3.670 354 1HB TYR 50 2HB TYR 50 11.348 3.323 -1.671 355 2HB TYR 50 1HB TYR 50 11.528 2.150 -2.970 356 HD1 TYR 50 1HD TYR 50 9.964 4.032 -4.992 357 HD2 TYR 50 2HD TYR 50 13.293 4.568 -2.399 358 HE1 TYR 50 1HE TYR 50 10.837 5.774 -6.480 359 HE2 TYR 50 2HE TYR 50 14.171 6.319 -3.882 360 HH TYR 50 HH TYR 50 12.859 6.882 -7.034 361 H THR 51 H THR 51 9.082 1.114 -4.503 362 HA THR 51 HA THR 51 8.378 -0.936 -2.507 363 HB THR 51 HB THR 51 7.611 -1.636 -5.192 364 HG1 THR 51 1HG THR 51 7.556 0.647 -5.503 365 1HG2 THR 51 1HG2 THR 51 5.409 -0.960 -3.488 366 2HG2 THR 51 2HG2 THR 51 6.637 -1.814 -2.554 367 3HG2 THR 51 3HG2 THR 51 5.961 -2.551 -4.006 368 H LYS 52 H LYS 52 9.659 -2.644 -2.282 369 HA LYS 52 HA LYS 52 11.134 -3.718 -4.547 370 1HB LYS 52 2HB LYS 52 12.407 -2.343 -2.243 371 2HB LYS 52 1HB LYS 52 13.143 -3.851 -2.766 372 1HG LYS 52 2HG LYS 52 12.540 -1.735 -4.780 373 2HG LYS 52 1HG LYS 52 13.952 -1.585 -3.730 374 1HD LYS 52 2HD LYS 52 14.445 -4.015 -4.479 375 2HD LYS 52 1HD LYS 52 13.358 -3.641 -5.816 376 1HE LYS 52 2HE LYS 52 14.760 -1.669 -6.340 377 2HE LYS 52 1HE LYS 52 15.872 -2.154 -5.061 378 1HZ LYS 52 1HZ LYS 52 16.398 -4.141 -6.231 379 2HZ LYS 52 2HZ LYS 52 16.550 -2.857 -7.325 380 3HZ LYS 52 3HZ LYS 52 15.188 -3.868 -7.389 381 H SER 53 H SER 53 11.668 -5.890 -4.293 382 HA SER 53 HA SER 53 11.423 -8.020 -3.546 383 1HB SER 53 2HB SER 53 11.409 -6.835 -0.758 384 2HB SER 53 1HB SER 53 11.900 -8.466 -1.231 385 HG SER 53 HG SER 53 13.608 -7.447 -2.469 386 H GLY 54 H GLY 54 9.045 -6.202 -3.907 387 1HA GLY 54 1HA GLY 54 6.758 -6.529 -3.842 388 2HA GLY 54 2HA GLY 54 7.037 -8.029 -2.965 389 H MET 55 H MET 55 8.746 -5.798 -1.324 390 HA MET 55 HA MET 55 6.628 -5.496 0.662 391 1HB MET 55 2HB MET 55 9.512 -4.696 1.011 392 2HB MET 55 1HB MET 55 8.326 -5.059 2.255 393 1HG MET 55 2HG MET 55 8.431 -7.375 1.818 394 2HG MET 55 1HG MET 55 9.316 -7.124 0.315 395 1HE MET 55 1HE MET 55 12.709 -5.692 1.720 396 2HE MET 55 2HE MET 55 11.436 -5.396 0.538 397 3HE MET 55 3HE MET 55 11.356 -4.634 2.128 398 H ILE 56 H ILE 56 6.753 -3.400 1.922 399 HA ILE 56 HA ILE 56 6.897 -1.154 0.025 400 HB ILE 56 HB ILE 56 5.214 -1.284 2.531 401 1HG1 ILE 56 2HG1 ILE 56 3.833 -1.240 -0.055 402 1HG2 ILE 56 1HG2 ILE 56 5.555 0.965 2.080 403 2HG2 ILE 56 2HG2 ILE 56 5.543 0.720 0.334 404 3HG2 ILE 56 3HG2 ILE 56 4.037 0.623 1.248 405 1HD1 ILE 56 1HD1 ILE 56 2.949 -3.435 1.294 406 2HD1 ILE 56 2HD1 ILE 56 3.441 -2.359 2.601 407 3HD1 ILE 56 3HD1 ILE 56 2.263 -1.816 1.406 408 H LEU 57 H LEU 57 8.531 0.164 0.376 409 HA LEU 57 HA LEU 57 9.547 0.486 3.129 410 1HB LEU 57 2HB LEU 57 11.177 0.583 0.588 411 2HB LEU 57 1HB LEU 57 11.789 0.702 2.224 412 HG LEU 57 HG LEU 57 10.393 -1.758 2.011 413 1HD1 LEU 57 1HD1 LEU 57 12.134 -2.675 0.261 414 2HD1 LEU 57 2HD1 LEU 57 10.574 -2.028 -0.248 415 3HD1 LEU 57 3HD1 LEU 57 12.023 -1.029 -0.365 416 1HD2 LEU 57 1HD2 LEU 57 13.312 -1.048 2.232 417 2HD2 LEU 57 2HD2 LEU 57 12.189 -1.370 3.554 418 3HD2 LEU 57 3HD2 LEU 57 12.658 -2.671 2.459 419 H CYS 58 H CYS 58 10.684 2.582 3.444 420 HA CYS 58 HA CYS 58 9.397 4.736 1.984 421 1HB CYS 58 2HB CYS 58 10.724 6.210 3.522 422 2HB CYS 58 1HB CYS 58 9.620 5.125 4.352 423 H ARG 59 H ARG 59 11.128 6.583 1.446 424 HA ARG 59 HA ARG 59 12.874 5.459 -0.537 425 1HB ARG 59 2HB ARG 59 13.020 8.311 0.386 426 2HB ARG 59 1HB ARG 59 13.299 7.653 -1.221 427 1HG ARG 59 2HG ARG 59 10.573 7.315 -0.149 428 2HG ARG 59 1HG ARG 59 11.067 8.968 -0.513 429 1HD ARG 59 2HD ARG 59 11.571 6.816 -2.520 430 2HD ARG 59 1HD ARG 59 9.940 7.471 -2.355 431 HE ARG 59 HE ARG 59 12.199 8.740 -3.564 432 1HH1 ARG 59 2HH1 ARG 59 9.213 9.395 -1.822 433 2HH1 ARG 59 1HH1 ARG 59 9.095 11.028 -2.420 434 1HH2 ARG 59 2HH2 ARG 59 12.001 10.853 -4.361 435 2HH2 ARG 59 1HH2 ARG 59 10.662 11.843 -3.867 436 H ASN 60 H ASN 60 13.078 6.651 2.708 437 HA ASN 60 HA ASN 60 15.900 6.772 2.994 438 1HB ASN 60 2HB ASN 60 14.069 7.662 4.573 439 2HB ASN 60 1HB ASN 60 13.971 6.015 5.185 440 1HD2 ASN 60 1HD2 ASN 60 14.802 6.203 7.157 441 2HD2 ASN 60 2HD2 ASN 60 16.390 6.801 7.508 442 H ASP 61 H ASP 61 13.517 4.241 3.733 443 HA ASP 61 HA ASP 61 15.237 2.203 4.570 444 1HB ASP 61 2HB ASP 61 12.508 2.376 3.472 445 2HB ASP 61 1HB ASP 61 13.304 0.837 3.195 446 H TYR 62 H TYR 62 14.059 3.013 1.350 447 HA TYR 62 HA TYR 62 15.252 1.015 -0.146 448 1HB TYR 62 2HB TYR 62 13.603 2.840 -0.856 449 2HB TYR 62 1HB TYR 62 15.011 3.870 -1.073 450 HD1 TYR 62 1HD TYR 62 16.516 3.548 -2.930 451 HD2 TYR 62 2HD TYR 62 13.217 0.926 -2.329 452 HE1 TYR 62 1HE TYR 62 16.792 2.692 -5.218 453 HE2 TYR 62 2HE TYR 62 13.491 0.062 -4.621 454 HH TYR 62 HH TYR 62 14.573 1.173 -6.887 455 H ILE 63 H ILE 63 16.597 4.184 0.778 456 HA ILE 63 HA ILE 63 19.023 3.844 -0.644 457 HB ILE 63 HB ILE 63 18.564 5.622 1.755 458 1HG1 ILE 63 2HG1 ILE 63 16.871 6.209 0.194 459 1HG2 ILE 63 1HG2 ILE 63 20.920 5.092 0.571 460 2HG2 ILE 63 2HG2 ILE 63 20.366 6.438 -0.426 461 3HG2 ILE 63 3HG2 ILE 63 20.524 6.640 1.319 462 1HD1 ILE 63 1HD1 ILE 63 18.508 5.139 -1.784 463 2HD1 ILE 63 2HD1 ILE 63 16.921 5.883 -1.988 464 3HD1 ILE 63 3HD1 ILE 63 18.382 6.858 -2.156 465 H ARG 64 H ARG 64 17.969 2.766 2.480 466 HA ARG 64 HA ARG 64 20.645 2.187 3.420 467 1HB ARG 64 2HB ARG 64 17.889 1.906 4.499 468 2HB ARG 64 1HB ARG 64 19.114 0.814 5.129 469 1HG ARG 64 2HG ARG 64 19.769 2.401 6.516 470 2HG ARG 64 1HG ARG 64 20.252 3.386 5.132 471 1HD ARG 64 2HD ARG 64 18.765 4.761 6.278 472 2HD ARG 64 1HD ARG 64 17.771 4.049 5.009 473 HE ARG 64 HE ARG 64 16.894 2.511 6.703 474 1HH1 ARG 64 2HH1 ARG 64 18.499 5.440 7.788 475 2HH1 ARG 64 1HH1 ARG 64 17.737 5.415 9.353 476 1HH2 ARG 64 2HH2 ARG 64 15.836 2.537 8.736 477 2HH2 ARG 64 1HH2 ARG 64 16.200 3.805 9.870 478 H LEU 65 H LEU 65 17.964 0.470 1.953 479 HA LEU 65 HA LEU 65 19.252 -2.100 2.305 480 1HB LEU 65 2HB LEU 65 16.697 -1.417 2.354 481 2HB LEU 65 1HB LEU 65 16.814 -1.732 0.636 482 HG LEU 65 HG LEU 65 17.154 -4.003 0.931 483 1HD1 LEU 65 1HD1 LEU 65 17.972 -5.071 2.906 484 2HD1 LEU 65 2HD1 LEU 65 19.037 -3.715 2.544 485 3HD1 LEU 65 3HD1 LEU 65 17.844 -3.577 3.834 486 1HD2 LEU 65 1HD2 LEU 65 15.645 -4.248 3.290 487 2HD2 LEU 65 2HD2 LEU 65 15.108 -2.765 2.499 488 3HD2 LEU 65 3HD2 LEU 65 15.071 -4.295 1.622 489 H PHE 66 H PHE 66 18.363 0.012 -0.403 490 HA PHE 66 HA PHE 66 20.171 -1.546 -2.135 491 1HB PHE 66 2HB PHE 66 17.587 -0.298 -3.083 492 2HB PHE 66 1HB PHE 66 18.632 -1.405 -3.964 493 HD1 PHE 66 1HD PHE 66 15.886 -1.091 -1.657 494 HD2 PHE 66 2HD PHE 66 18.756 -3.792 -3.259 495 HE1 PHE 66 1HE PHE 66 14.535 -2.988 -0.866 496 HE2 PHE 66 2HE PHE 66 17.412 -5.694 -2.469 497 HZ PHE 66 HZ PHE 66 15.299 -5.293 -1.272 498 H GLY 67 H GLY 67 20.899 0.748 -0.716 499 1HA GLY 67 1HA GLY 67 20.548 3.094 -2.339 500 2HA GLY 67 2HA GLY 67 21.562 2.952 -0.913 501 H ASN 68 H ASN 68 21.617 1.211 -3.996 502 HA ASN 68 HA ASN 68 24.465 1.713 -4.262 503 1HB ASN 68 2HB ASN 68 23.574 -0.504 -4.874 504 2HB ASN 68 1HB ASN 68 22.549 0.247 -6.093 505 1HD2 ASN 68 1HD2 ASN 68 23.527 -1.055 -7.670 506 2HD2 ASN 68 2HD2 ASN 68 25.100 -0.677 -8.297 507 H SER 69 H SER 69 25.113 3.577 -5.049 508 HA SER 69 HA SER 69 25.278 5.473 -6.281 509 1HB SER 69 2HB SER 69 23.359 4.323 -8.302 510 2HB SER 69 1HB SER 69 24.712 5.423 -8.571 511 HG SER 69 HG SER 69 25.259 2.905 -7.477 512 H GLY 70 H GLY 70 23.569 5.563 -4.195 513 1HA GLY 70 1HA GLY 70 21.044 6.731 -5.079 514 2HA GLY 70 2HA GLY 70 21.529 6.428 -3.417 515 H ALA 71 H ALA 71 22.176 8.515 -6.204 516 HA ALA 71 HA ALA 71 23.730 10.395 -4.789 517 1HB ALA 71 1HB ALA 71 22.125 10.840 -7.302 518 2HB ALA 71 2HB ALA 71 23.465 11.829 -6.721 519 3HB ALA 71 3HB ALA 71 23.754 10.167 -7.240 520 H GLY 72 H GLY 72 20.325 10.557 -5.856 521 1HA GLY 72 1HA GLY 72 19.745 12.148 -3.461 522 2HA GLY 72 2HA GLY 72 19.352 12.854 -5.022 523 H GLY 73 H GLY 73 18.186 11.079 -6.478 524 1HA GLY 73 1HA GLY 73 16.630 9.118 -6.099 525 2HA GLY 73 2HA GLY 73 15.940 10.110 -4.824 526 H SER 74 H SER 74 16.983 10.961 -8.099 527 HA SER 74 HA SER 74 14.731 12.598 -8.563 528 1HB SER 74 2HB SER 74 16.507 11.381 -10.685 529 2HB SER 74 1HB SER 74 15.600 12.891 -10.771 530 HG SER 74 HG SER 74 17.801 12.332 -9.048 531 H GLY 75 H GLY 75 12.796 12.218 -9.473 532 1HA GLY 75 1HA GLY 75 12.134 10.105 -11.196 533 2HA GLY 75 2HA GLY 75 11.759 9.599 -9.554 534 H GLY 76 H GLY 76 9.860 9.962 -11.651 535 1HA GLY 76 1HA GLY 76 8.063 11.784 -10.280 536 2HA GLY 76 2HA GLY 76 8.543 12.314 -11.884 537 H HIS 77 H HIS 77 8.314 8.926 -11.349 538 HA HIS 77 HA HIS 77 6.274 8.663 -13.329 539 1HB HIS 77 2HB HIS 77 8.078 6.908 -11.875 540 2HB HIS 77 1HB HIS 77 6.466 6.213 -12.005 541 HD1 HIS 77 1HD HIS 77 6.210 4.790 -14.002 542 HD2 HIS 77 2HD HIS 77 8.904 7.896 -14.646 543 HE1 HIS 77 1HE HIS 77 7.087 4.459 -16.334 544 HE2 HIS 77 2HE HIS 77 8.892 6.204 -16.604 545 H MET 78 H MET 78 4.128 8.465 -13.092 546 HA MET 78 HA MET 78 2.985 8.852 -10.466 547 1HB MET 78 2HB MET 78 2.121 9.928 -12.588 548 2HB MET 78 1HB MET 78 1.512 8.346 -13.055 549 1HG MET 78 2HG MET 78 -0.251 9.681 -12.087 550 2HG MET 78 1HG MET 78 0.105 8.295 -11.059 551 1HE MET 78 1HE MET 78 -0.813 10.528 -8.222 552 2HE MET 78 2HE MET 78 -1.374 9.397 -9.455 553 3HE MET 78 3HE MET 78 -0.112 8.912 -8.323 554 H GLY 79 H GLY 79 3.999 6.791 -9.772 555 1HA GLY 79 1HA GLY 79 2.626 4.781 -8.896 556 2HA GLY 79 2HA GLY 79 2.503 4.412 -10.613 557 H SER 80 H SER 80 4.032 3.372 -8.047 558 HA SER 80 HA SER 80 6.751 3.616 -8.664 559 1HB SER 80 2HB SER 80 6.578 1.328 -7.144 560 2HB SER 80 1HB SER 80 6.664 2.975 -6.506 561 HG SER 80 HG SER 80 4.881 1.764 -5.677 562 H GLY 81 H GLY 81 7.380 3.023 -10.650 563 1HA GLY 81 1HA GLY 81 7.786 0.293 -11.260 564 2HA GLY 81 2HA GLY 81 6.398 0.898 -12.156 565 H GLY 82 H GLY 82 9.839 1.366 -11.562 566 1HA GLY 82 1HA GLY 82 10.001 2.817 -14.132 567 2HA GLY 82 2HA GLY 82 11.089 3.088 -12.778 568 H ASP 83 H ASP 83 10.171 0.861 -15.316 569 HA ASP 83 HA ASP 83 12.671 -0.626 -14.895 570 1HB ASP 83 2HB ASP 83 10.513 -1.911 -15.040 571 2HB ASP 83 1HB ASP 83 10.354 -1.353 -16.703 572 H VAL 84 H VAL 84 14.145 -0.891 -16.597 573 HA VAL 84 HA VAL 84 14.146 1.269 -18.525 574 HB VAL 84 HB VAL 84 16.161 -0.967 -18.399 575 1HG1 VAL 84 1HG1 VAL 84 16.416 0.345 -20.347 576 2HG1 VAL 84 2HG1 VAL 84 16.184 1.847 -19.453 577 3HG1 VAL 84 3HG1 VAL 84 17.652 0.898 -19.218 578 1HG2 VAL 84 1HG2 VAL 84 15.873 1.429 -16.629 579 2HG2 VAL 84 2HG2 VAL 84 16.262 -0.236 -16.202 580 3HG2 VAL 84 3HG2 VAL 84 17.469 0.775 -16.996 581 H MET 85 H MET 85 12.194 0.526 -19.549 582 HA MET 85 HA MET 85 12.733 -1.473 -21.638 583 1HB MET 85 2HB MET 85 11.066 -1.959 -19.512 584 2HB MET 85 1HB MET 85 9.945 -1.317 -20.704 585 1HG MET 85 2HG MET 85 11.776 -3.322 -21.771 586 2HG MET 85 1HG MET 85 10.715 -3.919 -20.493 587 1HE MET 85 1HE MET 85 7.697 -4.692 -21.757 588 2HE MET 85 2HE MET 85 8.553 -4.021 -20.371 589 3HE MET 85 3HE MET 85 7.419 -3.019 -21.276 590 H VAL 86 H VAL 86 10.121 -1.202 -22.793 591 HA VAL 86 HA VAL 86 10.446 1.337 -24.150 592 HB VAL 86 HB VAL 86 8.185 -0.630 -24.528 593 1HG1 VAL 86 1HG1 VAL 86 9.380 1.545 -26.230 594 2HG1 VAL 86 2HG1 VAL 86 8.271 0.325 -26.857 595 3HG1 VAL 86 3HG1 VAL 86 7.737 1.437 -25.598 596 1HG2 VAL 86 1HG2 VAL 86 9.435 -1.845 -26.096 597 2HG2 VAL 86 2HG2 VAL 86 10.710 -0.628 -26.154 598 3HG2 VAL 86 3HG2 VAL 86 10.524 -1.643 -24.723 599 H VAL 87 H VAL 87 9.997 2.861 -22.579 600 HA VAL 87 HA VAL 87 7.178 3.091 -21.798 601 HB VAL 87 HB VAL 87 8.447 1.927 -19.988 602 1HG1 VAL 87 1HG1 VAL 87 9.761 4.135 -18.810 603 2HG1 VAL 87 2HG1 VAL 87 10.453 2.618 -19.380 604 3HG1 VAL 87 3HG1 VAL 87 10.328 3.995 -20.475 605 1HG2 VAL 87 1HG2 VAL 87 7.287 2.950 -18.307 606 2HG2 VAL 87 2HG2 VAL 87 7.690 4.575 -18.864 607 3HG2 VAL 87 3HG2 VAL 87 6.462 3.630 -19.711 608 H GLY 88 H GLY 88 10.172 4.525 -22.664 609 1HA GLY 88 1HA GLY 88 10.292 6.703 -23.613 610 2HA GLY 88 2HA GLY 88 8.890 7.164 -22.657 611 H GLU 89 H GLU 89 11.759 5.467 -21.529 612 HA GLU 89 HA GLU 89 12.185 7.606 -19.570 613 1HB GLU 89 2HB GLU 89 12.225 4.798 -19.408 614 2HB GLU 89 1HB GLU 89 13.901 5.303 -19.244 615 1HG GLU 89 2HG GLU 89 12.528 5.056 -17.119 616 2HG GLU 89 1HG GLU 89 13.474 6.530 -17.314 617 HA PRO 90 HA PRO 90 15.757 9.026 -21.766 618 1HB PRO 90 2HB PRO 90 16.761 10.070 -19.221 619 2HB PRO 90 1HB PRO 90 16.216 10.950 -20.649 620 1HG PRO 90 2HG PRO 90 14.817 10.927 -18.342 621 2HG PRO 90 1HG PRO 90 14.031 11.027 -19.929 622 1HD PRO 90 2HD PRO 90 14.372 8.661 -18.127 623 2HD PRO 90 1HD PRO 90 12.958 9.152 -19.086 624 H THR 91 H THR 91 18.192 9.058 -21.478 625 HA THR 91 HA THR 91 19.126 6.439 -20.939 626 HB THR 91 HB THR 91 20.907 8.854 -21.152 627 HG1 THR 91 1HG THR 91 20.638 8.056 -23.564 628 1HG2 THR 91 1HG2 THR 91 21.819 6.753 -22.743 629 2HG2 THR 91 2HG2 THR 91 21.225 5.979 -21.273 630 3HG2 THR 91 3HG2 THR 91 22.452 7.241 -21.172 631 H LEU 92 H LEU 92 19.966 5.573 -19.140 632 HA LEU 92 HA LEU 92 19.709 6.904 -16.650 633 1HB LEU 92 2HB LEU 92 21.223 4.365 -17.269 634 2HB LEU 92 1HB LEU 92 20.682 4.892 -15.685 635 HG LEU 92 HG LEU 92 18.502 4.691 -17.621 636 1HD1 LEU 92 1HD1 LEU 92 20.221 2.821 -18.214 637 2HD1 LEU 92 2HD1 LEU 92 19.611 2.069 -16.741 638 3HD1 LEU 92 3HD1 LEU 92 18.507 2.437 -18.064 639 1HD2 LEU 92 1HD2 LEU 92 17.430 3.534 -15.786 640 2HD2 LEU 92 2HD2 LEU 92 18.969 3.413 -14.931 641 3HD2 LEU 92 3HD2 LEU 92 18.227 4.991 -15.192 642 H MET 93 H MET 93 21.118 8.057 -15.511 643 HA MET 93 HA MET 93 23.471 8.997 -16.779 644 1HB MET 93 2HB MET 93 21.825 9.748 -14.587 645 2HB MET 93 1HB MET 93 23.483 9.674 -14.008 646 1HG MET 93 2HG MET 93 23.668 11.746 -14.780 647 2HG MET 93 1HG MET 93 23.754 11.005 -16.380 648 1HE MET 93 1HE MET 93 20.510 11.630 -18.050 649 2HE MET 93 2HE MET 93 22.155 12.224 -18.288 650 3HE MET 93 3HE MET 93 21.881 10.540 -17.844 651 H GLY 94 H GLY 94 22.933 6.862 -13.998 652 1HA GLY 94 1HA GLY 94 24.460 5.009 -13.666 653 2HA GLY 94 2HA GLY 94 25.761 6.045 -14.234 654 H GLY 95 H GLY 95 25.397 8.322 -12.774 655 1HA GLY 95 1HA GLY 95 26.442 7.547 -10.226 656 2HA GLY 95 2HA GLY 95 26.103 9.188 -10.759 657 H GLU 96 H GLU 96 23.431 9.043 -11.299 658 HA GLU 96 HA GLU 96 22.290 8.678 -8.628 659 1HB GLU 96 2HB GLU 96 21.811 10.849 -9.344 660 2HB GLU 96 1HB GLU 96 21.565 10.352 -11.009 661 1HG GLU 96 2HG GLU 96 19.421 10.778 -10.395 662 2HG GLU 96 1HG GLU 96 19.519 9.066 -9.986 663 H PHE 97 H PHE 97 21.039 6.977 -8.238 664 HA PHE 97 HA PHE 97 20.587 5.009 -10.154 665 1HB PHE 97 2HB PHE 97 19.355 3.810 -8.467 666 2HB PHE 97 1HB PHE 97 20.721 4.606 -7.697 667 HD1 PHE 97 1HD PHE 97 20.175 6.985 -6.682 668 HD2 PHE 97 2HD PHE 97 17.289 3.965 -7.487 669 HE1 PHE 97 1HE PHE 97 18.649 8.017 -5.057 670 HE2 PHE 97 2HE PHE 97 15.754 4.994 -5.861 671 HZ PHE 97 HZ PHE 97 16.434 7.022 -4.643 672 H GLY 98 H GLY 98 18.602 7.538 -8.989 673 1HA GLY 98 1HA GLY 98 16.523 8.348 -9.609 674 2HA GLY 98 2HA GLY 98 17.184 8.075 -11.212 675 H ASP 99 H ASP 99 15.912 5.949 -8.638 676 HA ASP 99 HA ASP 99 14.683 4.240 -10.574 677 1HB ASP 99 2HB ASP 99 15.555 3.490 -8.311 678 2HB ASP 99 1HB ASP 99 14.128 4.243 -7.604 679 H GLU 100 H GLU 100 12.877 4.641 -11.585 680 HA GLU 100 HA GLU 100 11.086 6.723 -10.734 681 1HB GLU 100 2HB GLU 100 11.039 4.808 -13.066 682 2HB GLU 100 1HB GLU 100 9.804 6.033 -12.799 683 1HG GLU 100 2HG GLU 100 12.726 6.665 -13.065 684 2HG GLU 100 1HG GLU 100 11.608 6.637 -14.426 685 H ASP 101 H ASP 101 11.158 4.803 -8.804 686 HA ASP 101 HA ASP 101 8.644 3.312 -9.035 687 1HB ASP 101 2HB ASP 101 11.054 2.487 -8.082 688 2HB ASP 101 1HB ASP 101 10.292 3.039 -6.595 689 H GLU 102 H GLU 102 8.723 6.124 -8.829 690 HA GLU 102 HA GLU 102 8.241 6.871 -6.109 691 1HB GLU 102 2HB GLU 102 8.957 8.161 -8.520 692 2HB GLU 102 1HB GLU 102 7.450 8.882 -7.973 693 1HG GLU 102 2HG GLU 102 9.329 8.518 -5.817 694 2HG GLU 102 1HG GLU 102 9.984 9.524 -7.112 695 H ARG 103 H ARG 103 6.345 8.497 -5.853 696 HA ARG 103 HA ARG 103 4.146 8.757 -5.435 697 1HB ARG 103 2HB ARG 103 4.390 8.232 -8.304 698 2HB ARG 103 1HB ARG 103 2.779 7.932 -7.664 699 1HG ARG 103 2HG ARG 103 2.374 10.102 -7.771 700 2HG ARG 103 1HG ARG 103 3.624 10.368 -6.553 701 1HD ARG 103 2HD ARG 103 4.551 9.961 -9.327 702 2HD ARG 103 1HD ARG 103 3.682 11.459 -9.003 703 HE ARG 103 HE ARG 103 5.975 10.701 -7.317 704 1HH1 ARG 103 2HH1 ARG 103 4.410 12.941 -9.531 705 2HH1 ARG 103 1HH1 ARG 103 5.670 14.138 -9.393 706 1HH2 ARG 103 2HH2 ARG 103 7.620 12.295 -7.142 707 2HH2 ARG 103 1HH2 ARG 103 7.466 13.778 -8.046 708 H LEU 104 H LEU 104 5.313 6.155 -4.730 709 HA LEU 104 HA LEU 104 3.377 4.126 -5.154 710 1HB LEU 104 2HB LEU 104 5.571 3.458 -4.492 711 2HB LEU 104 1HB LEU 104 5.528 4.484 -3.072 712 HG LEU 104 HG LEU 104 3.819 3.019 -2.067 713 1HD1 LEU 104 1HD1 LEU 104 2.571 1.874 -3.541 714 2HD1 LEU 104 2HD1 LEU 104 3.852 1.839 -4.752 715 3HD1 LEU 104 3HD1 LEU 104 3.858 0.674 -3.428 716 1HD2 LEU 104 1HD2 LEU 104 6.201 2.616 -1.646 717 2HD2 LEU 104 2HD2 LEU 104 5.263 1.123 -1.615 718 3HD2 LEU 104 3HD2 LEU 104 6.252 1.516 -3.022 719 H ILE 105 H ILE 105 3.933 6.452 -2.534 720 HA ILE 105 HA ILE 105 1.464 5.656 -1.232 721 HB ILE 105 HB ILE 105 3.561 7.688 -0.537 722 1HG1 ILE 105 2HG1 ILE 105 2.294 5.525 1.135 723 1HG2 ILE 105 1HG2 ILE 105 1.786 9.010 0.050 724 2HG2 ILE 105 2HG2 ILE 105 0.718 7.634 0.333 725 3HG2 ILE 105 3HG2 ILE 105 1.959 8.047 1.519 726 1HD1 ILE 105 1HD1 ILE 105 4.651 7.301 1.442 727 2HD1 ILE 105 2HD1 ILE 105 3.464 6.770 2.639 728 3HD1 ILE 105 3HD1 ILE 105 4.720 5.659 2.091 729 H THR 106 H THR 106 -0.395 6.441 -1.710 730 HA THR 106 HA THR 106 -0.625 9.140 -2.824 731 HB THR 106 HB THR 106 -2.168 6.701 -3.761 732 HG1 THR 106 1HG THR 106 0.147 7.906 -4.608 733 1HG2 THR 106 1HG2 THR 106 -2.407 9.004 -5.459 734 2HG2 THR 106 2HG2 THR 106 -2.909 9.416 -3.820 735 3HG2 THR 106 3HG2 THR 106 -3.675 8.068 -4.663 736 H ARG 107 H ARG 107 -1.108 9.805 -0.712 737 HA ARG 107 HA ARG 107 -3.585 8.682 0.419 738 1HB ARG 107 2HB ARG 107 -1.155 8.565 1.577 739 2HB ARG 107 1HB ARG 107 -1.707 10.114 2.202 740 1HG ARG 107 2HG ARG 107 -3.305 7.577 2.414 741 2HG ARG 107 1HG ARG 107 -2.187 8.140 3.656 742 1HD ARG 107 2HD ARG 107 -3.539 10.330 3.584 743 2HD ARG 107 1HD ARG 107 -4.766 9.382 2.735 744 HE ARG 107 HE ARG 107 -5.133 8.141 4.684 745 1HH1 ARG 107 2HH1 ARG 107 -2.649 10.562 5.145 746 2HH1 ARG 107 1HH1 ARG 107 -2.618 10.393 6.876 747 1HH2 ARG 107 2HH2 ARG 107 -5.137 7.934 6.949 748 2HH2 ARG 107 1HH2 ARG 107 -4.083 8.929 7.909 749 H LEU 108 H LEU 108 -5.062 10.058 -0.297 750 HA LEU 108 HA LEU 108 -5.059 12.648 0.989 751 1HB LEU 108 2HB LEU 108 -4.625 12.365 -1.848 752 2HB LEU 108 1HB LEU 108 -6.144 13.187 -1.549 753 HG LEU 108 HG LEU 108 -4.246 14.393 0.152 754 1HD1 LEU 108 1HD1 LEU 108 -2.346 13.766 -0.973 755 2HD1 LEU 108 2HD1 LEU 108 -3.169 13.669 -2.529 756 3HD1 LEU 108 3HD1 LEU 108 -2.772 15.241 -1.840 757 1HD2 LEU 108 1HD2 LEU 108 -5.328 16.179 -0.608 758 2HD2 LEU 108 2HD2 LEU 108 -4.788 15.874 -2.260 759 3HD2 LEU 108 3HD2 LEU 108 -6.247 15.094 -1.652 760 H GLU 109 H GLU 109 -6.800 12.200 2.229 761 HA GLU 109 HA GLU 109 -9.285 11.797 0.829 762 1HB GLU 109 2HB GLU 109 -8.100 9.791 2.581 763 2HB GLU 109 1HB GLU 109 -9.803 10.132 2.859 764 1HG GLU 109 2HG GLU 109 -8.600 9.393 0.213 765 2HG GLU 109 1HG GLU 109 -9.416 8.276 1.301 766 H ASN 110 H ASN 110 -10.950 12.803 1.647 767 HA ASN 110 HA ASN 110 -11.696 13.231 4.175 768 1HB ASN 110 2HB ASN 110 -9.890 14.560 4.863 769 2HB ASN 110 1HB ASN 110 -9.825 15.443 3.335 770 1HD2 ASN 110 1HD2 ASN 110 -11.420 15.119 6.402 771 2HD2 ASN 110 2HD2 ASN 110 -12.256 16.631 6.358 772 H THR 111 H THR 111 -11.186 15.042 1.243 773 HA THR 111 HA THR 111 -14.016 14.877 0.635 774 HB THR 111 HB THR 111 -13.403 17.402 -0.349 775 HG1 THR 111 1HG THR 111 -12.290 17.031 2.242 776 1HG2 THR 111 1HG2 THR 111 -15.103 18.193 1.154 777 2HG2 THR 111 2HG2 THR 111 -14.853 16.821 2.235 778 3HG2 THR 111 3HG2 THR 111 -15.545 16.567 0.633 779 H GLN 112 H GLN 112 -11.588 13.568 -0.164 780 HA GLN 112 HA GLN 112 -10.929 14.635 -2.784 781 1HB GLN 112 2HB GLN 112 -9.358 13.471 -0.911 782 2HB GLN 112 1HB GLN 112 -9.756 12.064 -1.887 783 1HG GLN 112 2HG GLN 112 -7.641 13.374 -2.462 784 2HG GLN 112 1HG GLN 112 -8.724 12.922 -3.781 785 1HE2 GLN 112 1HE2 GLN 112 -9.458 14.464 -5.079 786 2HE2 GLN 112 2HE2 GLN 112 -9.299 16.169 -4.797 787 H PHE 113 H PHE 113 -11.246 11.242 -1.837 788 HA PHE 113 HA PHE 113 -12.807 10.756 -4.262 789 1HB PHE 113 2HB PHE 113 -11.011 9.184 -2.643 790 2HB PHE 113 1HB PHE 113 -12.563 8.365 -2.781 791 HD1 PHE 113 1HD PHE 113 -10.609 6.825 -3.876 792 HD2 PHE 113 2HD PHE 113 -12.363 10.283 -5.631 793 HE1 PHE 113 1HE PHE 113 -9.968 6.013 -6.106 794 HE2 PHE 113 2HE PHE 113 -11.732 9.472 -7.867 795 HZ PHE 113 HZ PHE 113 -10.529 7.336 -8.107 796 H ASP 114 H ASP 114 -13.040 10.744 -0.785 797 HA ASP 114 HA ASP 114 -15.963 10.580 -1.063 798 1HB ASP 114 2HB ASP 114 -14.756 8.512 -0.009 799 2HB ASP 114 1HB ASP 114 -14.600 9.550 1.403 800 H ALA 115 H ALA 115 -17.131 11.719 0.591 801 HA ALA 115 HA ALA 115 -15.622 14.010 1.638 802 1HB ALA 115 1HB ALA 115 -17.610 15.236 1.654 803 2HB ALA 115 2HB ALA 115 -17.728 14.275 0.181 804 3HB ALA 115 3HB ALA 115 -18.614 13.787 1.625 805 H ALA 116 H ALA 116 -14.978 11.924 3.031 806 HA ALA 116 HA ALA 116 -16.843 11.577 5.250 807 1HB ALA 116 1HB ALA 116 -14.318 10.048 4.659 808 2HB ALA 116 2HB ALA 116 -15.570 9.625 5.825 809 3HB ALA 116 3HB ALA 116 -15.925 9.586 4.099 810 H ASN 117 H ASN 117 -16.540 12.454 7.153 811 HA ASN 117 HA ASN 117 -13.859 13.454 7.859 812 1HB ASN 117 2HB ASN 117 -15.945 15.104 7.327 813 2HB ASN 117 1HB ASN 117 -16.200 14.826 9.047 814 1HD2 ASN 117 1HD2 ASN 117 -15.599 17.314 7.997 815 2HD2 ASN 117 2HD2 ASN 117 -14.031 17.791 8.557 816 H GLY 118 H GLY 118 -13.103 12.668 9.732 817 1HA GLY 118 1HA GLY 118 -14.925 10.977 11.282 818 2HA GLY 118 2HA GLY 118 -13.171 10.882 11.285 819 H ILE 119 H ILE 119 -12.266 11.512 13.105 820 HA ILE 119 HA ILE 119 -13.819 13.020 15.022 821 HB ILE 119 HB ILE 119 -11.810 12.697 16.506 822 1HG1 ILE 119 2HG1 ILE 119 -10.850 10.726 14.445 823 1HG2 ILE 119 1HG2 ILE 119 -13.689 11.216 16.664 824 2HG2 ILE 119 2HG2 ILE 119 -13.125 10.280 15.280 825 3HG2 ILE 119 3HG2 ILE 119 -12.209 10.264 16.787 826 1HD1 ILE 119 1HD1 ILE 119 -9.163 12.160 16.446 827 2HD1 ILE 119 2HD1 ILE 119 -10.103 10.744 16.918 828 3HD1 ILE 119 3HD1 ILE 119 -8.886 10.613 15.647 829 H ASP 120 H ASP 120 -12.204 14.041 12.459 830 HA ASP 120 HA ASP 120 -11.110 16.420 13.822 831 1HB ASP 120 2HB ASP 120 -9.748 14.770 12.138 832 2HB ASP 120 1HB ASP 120 -10.366 15.965 11.002 833 H ASP 121 H ASP 121 -13.871 15.775 13.011 834 HA ASP 121 HA ASP 121 -14.430 17.478 10.742 835 1HB ASP 121 2HB ASP 121 -15.821 15.552 10.935 836 2HB ASP 121 1HB ASP 121 -16.177 15.890 12.625 837 H GLU 122 H GLU 122 -15.249 17.464 14.193 838 HA GLU 122 HA GLU 122 -15.301 20.392 14.135 839 1HB GLU 122 2HB GLU 122 -17.637 19.073 14.126 840 2HB GLU 122 1HB GLU 122 -17.312 19.033 15.853 841 1HG GLU 122 2HG GLU 122 -16.811 21.658 15.098 842 2HG GLU 122 1HG GLU 122 -18.258 21.193 14.205 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -12.921 -0.952 -11.535 2 2H GLY 1 2H GLY 1 -11.385 -1.473 -11.028 3 3H GLY 1 3H GLY 1 -12.658 -1.391 -9.918 4 1HA GLY 1 2HA GLY 1 -12.448 -3.236 -12.229 5 2HA GLY 1 1HA GLY 1 -12.286 -3.670 -10.532 6 H SER 2 H SER 2 -14.025 -5.207 -11.228 7 HA SER 2 HA SER 2 -16.611 -4.266 -11.877 8 1HB SER 2 2HB SER 2 -16.340 -6.857 -10.455 9 2HB SER 2 1HB SER 2 -17.177 -6.480 -11.960 10 HG SER 2 HG SER 2 -14.967 -6.203 -12.858 11 H LEU 3 H LEU 3 -14.927 -4.659 -8.879 12 HA LEU 3 HA LEU 3 -17.328 -3.730 -7.453 13 1HB LEU 3 2HB LEU 3 -15.814 -6.136 -7.007 14 2HB LEU 3 1HB LEU 3 -15.666 -5.087 -5.612 15 HG LEU 3 HG LEU 3 -18.279 -4.945 -5.798 16 1HD1 LEU 3 1HD1 LEU 3 -17.847 -6.548 -7.954 17 2HD1 LEU 3 2HD1 LEU 3 -18.211 -7.729 -6.696 18 3HD1 LEU 3 3HD1 LEU 3 -19.363 -6.442 -7.060 19 1HD2 LEU 3 1HD2 LEU 3 -17.265 -5.822 -3.858 20 2HD2 LEU 3 2HD2 LEU 3 -18.403 -7.053 -4.404 21 3HD2 LEU 3 3HD2 LEU 3 -16.679 -7.247 -4.716 22 H SER 4 H SER 4 -16.761 -1.601 -7.329 23 HA SER 4 HA SER 4 -14.059 -0.817 -6.754 24 1HB SER 4 2HB SER 4 -16.511 0.947 -6.818 25 2HB SER 4 1HB SER 4 -14.832 1.433 -7.049 26 HG SER 4 HG SER 4 -14.793 0.396 -9.009 27 H TRP 5 H TRP 5 -14.690 -2.324 -4.649 28 HA TRP 5 HA TRP 5 -15.474 -0.515 -2.487 29 1HB TRP 5 2HB TRP 5 -15.698 -2.441 -1.080 30 2HB TRP 5 1HB TRP 5 -16.507 -2.796 -2.600 31 HD1 TRP 5 HD TRP 5 -14.614 -4.160 -4.409 32 HE1 TRP 5 1HE TRP 5 -13.281 -6.272 -3.789 33 HE3 TRP 5 3HE TRP 5 -14.780 -3.759 0.687 34 HZ2 TRP 5 2HZ TRP 5 -12.426 -7.595 -1.447 35 HZ3 TRP 5 3HZ TRP 5 -13.686 -5.495 2.043 36 HH2 TRP 5 HH TRP 5 -12.531 -7.376 0.992 37 H LYS 6 H LYS 6 -14.117 -0.090 -0.744 38 HA LYS 6 HA LYS 6 -11.296 -0.204 -1.477 39 1HB LYS 6 2HB LYS 6 -12.843 1.416 0.538 40 2HB LYS 6 1HB LYS 6 -11.086 1.406 0.498 41 1HG LYS 6 2HG LYS 6 -11.293 3.132 -0.893 42 2HG LYS 6 1HG LYS 6 -11.717 1.926 -2.110 43 1HD LYS 6 2HD LYS 6 -13.896 2.513 -2.118 44 2HD LYS 6 1HD LYS 6 -13.926 2.804 -0.379 45 1HE LYS 6 2HE LYS 6 -14.256 4.919 -1.287 46 2HE LYS 6 1HE LYS 6 -12.531 4.893 -0.918 47 1HZ LYS 6 1HZ LYS 6 -13.473 5.676 -3.248 48 2HZ LYS 6 2HZ LYS 6 -13.327 4.014 -3.585 49 3HZ LYS 6 3HZ LYS 6 -11.971 4.900 -3.091 50 H ARG 7 H ARG 7 -10.313 -1.998 -0.846 51 HA ARG 7 HA ARG 7 -10.686 -2.851 1.942 52 1HB ARG 7 2HB ARG 7 -10.452 -5.060 1.367 53 2HB ARG 7 1HB ARG 7 -11.247 -4.445 -0.074 54 1HG ARG 7 2HG ARG 7 -9.493 -4.904 -1.377 55 2HG ARG 7 1HG ARG 7 -8.329 -4.322 -0.187 56 1HD ARG 7 2HD ARG 7 -9.760 -6.888 0.303 57 2HD ARG 7 1HD ARG 7 -8.415 -6.852 -0.838 58 HE ARG 7 HE ARG 7 -7.598 -5.592 1.519 59 1HH1 ARG 7 2HH1 ARG 7 -8.632 -8.789 0.525 60 2HH1 ARG 7 1HH1 ARG 7 -7.523 -9.612 1.586 61 1HH2 ARG 7 2HH2 ARG 7 -6.171 -6.658 2.922 62 2HH2 ARG 7 1HH2 ARG 7 -6.113 -8.401 2.951 63 H CYS 8 H CYS 8 -8.909 -3.167 3.189 64 HA CYS 8 HA CYS 8 -6.534 -1.765 2.330 65 1HB CYS 8 2HB CYS 8 -7.480 -1.205 4.477 66 2HB CYS 8 1HB CYS 8 -7.428 -2.891 4.979 67 H ALA 9 H ALA 9 -4.568 -2.629 2.041 68 HA ALA 9 HA ALA 9 -4.326 -5.553 2.209 69 1HB ALA 9 1HB ALA 9 -2.072 -4.503 0.907 70 2HB ALA 9 2HB ALA 9 -3.423 -5.373 0.183 71 3HB ALA 9 3HB ALA 9 -3.458 -3.613 0.278 72 H GLY 10 H GLY 10 -3.817 -3.010 4.104 73 1HA GLY 10 1HA GLY 10 -1.083 -3.539 4.919 74 2HA GLY 10 2HA GLY 10 -2.177 -2.352 5.621 75 H CYS 11 H CYS 11 -4.323 -3.998 6.234 76 HA CYS 11 HA CYS 11 -3.133 -5.728 8.289 77 1HB CYS 11 2HB CYS 11 -5.370 -5.506 9.445 78 2HB CYS 11 1HB CYS 11 -4.400 -4.041 9.388 79 H GLY 12 H GLY 12 -6.343 -5.568 6.777 80 1HA GLY 12 1HA GLY 12 -6.332 -7.484 4.934 81 2HA GLY 12 2HA GLY 12 -6.261 -8.459 6.393 82 H GLY 13 H GLY 13 -8.112 -5.523 5.508 83 1HA GLY 13 1HA GLY 13 -10.542 -7.047 5.476 84 2HA GLY 13 2HA GLY 13 -10.412 -5.921 6.822 85 H LYS 14 H LYS 14 -12.064 -4.659 6.114 86 HA LYS 14 HA LYS 14 -11.704 -3.225 3.580 87 1HB LYS 14 2HB LYS 14 -13.907 -4.294 3.934 88 2HB LYS 14 1HB LYS 14 -14.123 -3.340 5.393 89 1HG LYS 14 2HG LYS 14 -14.231 -1.315 4.140 90 2HG LYS 14 1HG LYS 14 -13.769 -2.149 2.655 91 1HD LYS 14 2HD LYS 14 -15.970 -3.565 3.490 92 2HD LYS 14 1HD LYS 14 -16.378 -1.906 3.937 93 1HE LYS 14 2HE LYS 14 -15.807 -1.208 1.623 94 2HE LYS 14 1HE LYS 14 -15.570 -2.904 1.212 95 1HZ LYS 14 1HZ LYS 14 -17.730 -3.094 0.862 96 2HZ LYS 14 2HZ LYS 14 -17.951 -1.453 1.231 97 3HZ LYS 14 3HZ LYS 14 -18.067 -2.621 2.456 98 H ILE 15 H ILE 15 -11.754 -0.939 3.562 99 HA ILE 15 HA ILE 15 -10.800 0.234 6.062 100 HB ILE 15 HB ILE 15 -10.950 1.794 3.524 101 1HG1 ILE 15 2HG1 ILE 15 -8.786 -0.249 4.098 102 1HG2 ILE 15 1HG2 ILE 15 -9.086 2.932 4.389 103 2HG2 ILE 15 2HG2 ILE 15 -10.156 2.673 5.766 104 3HG2 ILE 15 3HG2 ILE 15 -8.738 1.649 5.547 105 1HD1 ILE 15 1HD1 ILE 15 -7.538 0.782 2.602 106 2HD1 ILE 15 2HD1 ILE 15 -8.825 0.621 1.408 107 3HD1 ILE 15 3HD1 ILE 15 -8.758 2.046 2.444 108 H ALA 16 H ALA 16 -12.415 0.891 7.342 109 HA ALA 16 HA ALA 16 -14.805 2.115 6.188 110 1HB ALA 16 1HB ALA 16 -14.912 0.396 8.040 111 2HB ALA 16 2HB ALA 16 -14.236 1.630 9.106 112 3HB ALA 16 3HB ALA 16 -15.800 1.893 8.332 113 H ASP 17 H ASP 17 -11.799 3.032 7.142 114 HA ASP 17 HA ASP 17 -12.393 5.515 8.457 115 1HB ASP 17 2HB ASP 17 -9.915 4.187 7.419 116 2HB ASP 17 1HB ASP 17 -9.879 5.905 7.809 117 H ARG 18 H ARG 18 -12.271 7.575 7.602 118 HA ARG 18 HA ARG 18 -13.151 7.853 4.924 119 1HB ARG 18 2HB ARG 18 -13.841 9.418 6.663 120 2HB ARG 18 1HB ARG 18 -12.175 9.929 6.896 121 1HG ARG 18 2HG ARG 18 -12.152 11.211 5.019 122 2HG ARG 18 1HG ARG 18 -13.329 10.200 4.179 123 1HD ARG 18 2HD ARG 18 -14.676 11.263 6.396 124 2HD ARG 18 1HD ARG 18 -13.742 12.596 5.715 125 HE ARG 18 HE ARG 18 -14.884 11.538 3.527 126 1HH1 ARG 18 2HH1 ARG 18 -16.207 12.490 6.634 127 2HH1 ARG 18 1HH1 ARG 18 -17.771 12.908 5.987 128 1HH2 ARG 18 2HH2 ARG 18 -16.940 12.036 2.675 129 2HH2 ARG 18 1HH2 ARG 18 -18.192 12.624 3.729 130 H PHE 19 H PHE 19 -10.081 8.566 6.546 131 HA PHE 19 HA PHE 19 -8.883 9.372 4.026 132 1HB PHE 19 2HB PHE 19 -8.084 9.467 6.901 133 2HB PHE 19 1HB PHE 19 -6.816 9.517 5.677 134 HD1 PHE 19 1HD PHE 19 -10.215 11.000 5.496 135 HD2 PHE 19 2HD PHE 19 -6.034 11.709 5.836 136 HE1 PHE 19 1HE PHE 19 -10.607 13.409 5.208 137 HE2 PHE 19 2HE PHE 19 -6.417 14.123 5.541 138 HZ PHE 19 HZ PHE 19 -8.704 14.977 5.230 139 H LEU 20 H LEU 20 -8.605 7.617 2.752 140 HA LEU 20 HA LEU 20 -7.154 5.313 3.844 141 1HB LEU 20 2HB LEU 20 -8.076 5.206 1.047 142 2HB LEU 20 1HB LEU 20 -8.121 3.974 2.290 143 HG LEU 20 HG LEU 20 -10.069 5.534 3.231 144 1HD1 LEU 20 1HD1 LEU 20 -10.992 6.969 1.790 145 2HD1 LEU 20 2HD1 LEU 20 -9.497 6.832 0.863 146 3HD1 LEU 20 3HD1 LEU 20 -10.885 5.821 0.454 147 1HD2 LEU 20 1HD2 LEU 20 -10.732 3.400 2.900 148 2HD2 LEU 20 2HD2 LEU 20 -11.511 4.108 1.483 149 3HD2 LEU 20 3HD2 LEU 20 -9.953 3.290 1.318 150 H LEU 21 H LEU 21 -5.568 4.338 2.312 151 HA LEU 21 HA LEU 21 -4.196 6.416 0.756 152 1HB LEU 21 2HB LEU 21 -3.108 5.342 2.958 153 2HB LEU 21 1HB LEU 21 -2.618 4.128 1.787 154 HG LEU 21 HG LEU 21 -2.114 6.907 0.964 155 1HD1 LEU 21 1HD1 LEU 21 -1.617 6.498 3.574 156 2HD1 LEU 21 2HD1 LEU 21 -0.113 5.899 2.875 157 3HD1 LEU 21 3HD1 LEU 21 -0.645 7.548 2.542 158 1HD2 LEU 21 1HD2 LEU 21 0.034 4.906 1.092 159 2HD2 LEU 21 2HD2 LEU 21 -1.356 4.455 0.104 160 3HD2 LEU 21 3HD2 LEU 21 -0.474 5.946 -0.238 161 H TYR 22 H TYR 22 -3.543 5.865 -1.257 162 HA TYR 22 HA TYR 22 -4.400 3.210 -2.207 163 1HB TYR 22 2HB TYR 22 -4.343 5.912 -3.555 164 2HB TYR 22 1HB TYR 22 -4.488 4.418 -4.472 165 HD1 TYR 22 1HD TYR 22 -6.101 5.596 -1.296 166 HD2 TYR 22 2HD TYR 22 -6.623 4.267 -5.301 167 HE1 TYR 22 1HE TYR 22 -8.537 5.685 -1.002 168 HE2 TYR 22 2HE TYR 22 -9.062 4.358 -5.017 169 HH TYR 22 HH TYR 22 -10.548 5.949 -2.467 170 H ALA 23 H ALA 23 -2.689 1.912 -2.548 171 HA ALA 23 HA ALA 23 -0.411 2.939 -4.021 172 1HB ALA 23 1HB ALA 23 0.493 3.496 -1.970 173 2HB ALA 23 2HB ALA 23 -0.252 2.123 -1.152 174 3HB ALA 23 3HB ALA 23 1.127 1.869 -2.221 175 H MET 24 H MET 24 0.664 1.413 -5.167 176 HA MET 24 HA MET 24 1.098 -0.550 -6.217 177 1HB MET 24 2HB MET 24 0.749 -1.300 -3.400 178 2HB MET 24 1HB MET 24 0.470 -2.619 -4.529 179 1HG MET 24 2HG MET 24 2.670 -2.264 -5.504 180 2HG MET 24 1HG MET 24 2.946 -0.916 -4.404 181 1HE MET 24 1HE MET 24 4.112 -0.937 -2.701 182 2HE MET 24 2HE MET 24 3.339 -1.706 -1.314 183 3HE MET 24 3HE MET 24 4.897 -2.296 -1.893 184 H ASP 25 H ASP 25 -1.506 0.653 -6.443 185 HA ASP 25 HA ASP 25 -3.507 0.272 -7.426 186 1HB ASP 25 2HB ASP 25 -2.060 -2.244 -8.091 187 2HB ASP 25 1HB ASP 25 -3.806 -2.226 -8.317 188 H SER 26 H SER 26 -2.812 -0.511 -4.571 189 HA SER 26 HA SER 26 -5.386 -1.805 -4.015 190 1HB SER 26 2HB SER 26 -3.170 -2.321 -2.102 191 2HB SER 26 1HB SER 26 -4.492 -3.375 -2.604 192 HG SER 26 HG SER 26 -2.654 -2.764 -4.576 193 H TYR 27 H TYR 27 -6.070 -1.398 -1.734 194 HA TYR 27 HA TYR 27 -5.392 1.376 -1.035 195 1HB TYR 27 2HB TYR 27 -7.946 0.002 -0.239 196 2HB TYR 27 1HB TYR 27 -7.617 1.726 -0.391 197 HD1 TYR 27 1HD TYR 27 -6.398 1.926 -3.051 198 HD2 TYR 27 2HD TYR 27 -9.677 -0.453 -1.724 199 HE1 TYR 27 1HE TYR 27 -7.284 1.869 -5.339 200 HE2 TYR 27 2HE TYR 27 -10.567 -0.507 -4.016 201 HH TYR 27 HH TYR 27 -8.729 0.384 -6.698 202 H TRP 28 H TRP 28 -5.320 1.945 1.155 203 HA TRP 28 HA TRP 28 -4.752 -0.245 3.028 204 1HB TRP 28 2HB TRP 28 -2.929 2.145 2.626 205 2HB TRP 28 1HB TRP 28 -2.629 0.746 3.645 206 HD1 TRP 28 HD TRP 28 -2.918 1.610 -0.123 207 HE1 TRP 28 1HE TRP 28 -1.368 0.017 -1.425 208 HE3 TRP 28 3HE TRP 28 -1.319 -1.314 3.745 209 HZ2 TRP 28 2HZ TRP 28 0.308 -2.175 -0.885 210 HZ3 TRP 28 3HZ TRP 28 0.254 -3.142 3.268 211 HH2 TRP 28 HH TRP 28 1.057 -3.560 1.001 212 H HIS 29 H HIS 29 -4.460 0.590 5.258 213 HA HIS 29 HA HIS 29 -6.356 2.712 5.888 214 1HB HIS 29 2HB HIS 29 -4.778 0.727 7.473 215 2HB HIS 29 1HB HIS 29 -5.287 2.212 8.264 216 HD2 HIS 29 2HD HIS 29 -8.215 2.574 8.092 217 HE1 HIS 29 1HE HIS 29 -8.738 -1.633 8.104 218 HE2 HIS 29 2HE HIS 29 -9.832 0.606 8.635 219 H SER 30 H SER 30 -5.491 4.343 7.582 220 HA SER 30 HA SER 30 -3.360 5.814 6.418 221 1HB SER 30 2HB SER 30 -4.078 6.424 9.208 222 2HB SER 30 1HB SER 30 -4.078 7.471 7.787 223 HG SER 30 HG SER 30 -6.076 6.628 7.189 224 H ARG 31 H ARG 31 -3.654 3.807 9.345 225 HA ARG 31 HA ARG 31 -0.799 4.108 9.871 226 1HB ARG 31 2HB ARG 31 -2.756 4.088 11.607 227 2HB ARG 31 1HB ARG 31 -2.610 2.342 11.466 228 1HG ARG 31 2HG ARG 31 -0.354 2.393 12.247 229 2HG ARG 31 1HG ARG 31 -0.319 4.158 12.173 230 1HD ARG 31 2HD ARG 31 -2.166 2.556 13.941 231 2HD ARG 31 1HD ARG 31 -0.636 3.256 14.468 232 HE ARG 31 HE ARG 31 -1.585 5.452 14.054 233 1HH1 ARG 31 2HH1 ARG 31 -3.846 2.768 14.087 234 2HH1 ARG 31 1HH1 ARG 31 -5.215 3.760 14.505 235 1HH2 ARG 31 2HH2 ARG 31 -3.386 6.758 14.599 236 2HH2 ARG 31 1HH2 ARG 31 -4.944 6.018 14.820 237 H CYS 32 H CYS 32 -2.494 2.201 7.833 238 HA CYS 32 HA CYS 32 -0.972 -0.225 8.418 239 1HB CYS 32 2HB CYS 32 -3.298 0.356 6.613 240 2HB CYS 32 1HB CYS 32 -2.342 -1.110 6.420 241 H LEU 33 H LEU 33 -0.947 2.518 6.363 242 HA LEU 33 HA LEU 33 0.913 1.260 4.503 243 1HB LEU 33 2HB LEU 33 -0.895 3.157 4.016 244 2HB LEU 33 1HB LEU 33 0.453 4.191 4.445 245 HG LEU 33 HG LEU 33 0.008 3.460 1.940 246 1HD1 LEU 33 1HD1 LEU 33 2.609 3.478 1.693 247 2HD1 LEU 33 2HD1 LEU 33 1.746 4.920 2.231 248 3HD1 LEU 33 3HD1 LEU 33 2.560 3.888 3.408 249 1HD2 LEU 33 1HD2 LEU 33 1.042 1.511 1.227 250 2HD2 LEU 33 2HD2 LEU 33 1.962 1.334 2.719 251 3HD2 LEU 33 3HD2 LEU 33 0.231 1.008 2.709 252 H LYS 34 H LYS 34 2.324 0.745 6.204 253 HA LYS 34 HA LYS 34 4.069 2.979 6.991 254 1HB LYS 34 2HB LYS 34 4.204 2.226 9.185 255 2HB LYS 34 1HB LYS 34 2.519 1.904 8.803 256 1HG LYS 34 2HG LYS 34 4.473 -0.270 8.306 257 2HG LYS 34 1HG LYS 34 4.087 0.121 9.982 258 1HD LYS 34 2HD LYS 34 2.205 -1.054 9.812 259 2HD LYS 34 1HD LYS 34 1.648 0.030 8.534 260 1HE LYS 34 2HE LYS 34 1.883 -1.587 7.031 261 2HE LYS 34 1HE LYS 34 3.587 -1.753 7.444 262 1HZ LYS 34 1HZ LYS 34 2.922 -3.256 9.257 263 2HZ LYS 34 2HZ LYS 34 2.481 -3.844 7.733 264 3HZ LYS 34 3HZ LYS 34 1.310 -3.150 8.742 265 H CYS 35 H CYS 35 6.296 2.239 7.543 266 HA CYS 35 HA CYS 35 7.381 0.780 5.431 267 1HB CYS 35 2HB CYS 35 8.600 2.452 6.833 268 2HB CYS 35 1HB CYS 35 8.678 1.250 8.119 269 H SER 36 H SER 36 8.298 -1.269 5.303 270 HA SER 36 HA SER 36 6.935 -3.280 6.841 271 1HB SER 36 2HB SER 36 9.135 -3.701 4.815 272 2HB SER 36 1HB SER 36 7.919 -4.865 5.338 273 HG SER 36 HG SER 36 7.532 -2.506 3.810 274 H SER 37 H SER 37 9.801 -1.530 7.223 275 HA SER 37 HA SER 37 10.845 -3.599 9.040 276 1HB SER 37 2HB SER 37 12.808 -1.590 8.551 277 2HB SER 37 1HB SER 37 12.849 -3.294 8.099 278 HG SER 37 HG SER 37 12.514 -1.134 6.534 279 H CYS 38 H CYS 38 10.414 -0.087 8.653 280 HA CYS 38 HA CYS 38 11.102 0.430 11.395 281 1HB CYS 38 2HB CYS 38 9.842 2.237 9.328 282 2HB CYS 38 1HB CYS 38 10.500 2.753 10.876 283 H GLN 39 H GLN 39 8.170 -0.039 9.571 284 HA GLN 39 HA GLN 39 5.974 -0.132 10.113 285 1HB GLN 39 2HB GLN 39 6.985 -0.427 12.947 286 2HB GLN 39 1HB GLN 39 5.319 -0.678 12.433 287 1HG GLN 39 2HG GLN 39 7.460 -2.219 11.064 288 2HG GLN 39 1HG GLN 39 7.017 -2.679 12.707 289 1HE2 GLN 39 1HE2 GLN 39 6.100 -4.621 12.147 290 2HE2 GLN 39 2HE2 GLN 39 4.622 -4.740 11.244 291 H ALA 40 H ALA 40 7.407 2.355 9.962 292 HA ALA 40 HA ALA 40 5.879 4.083 11.742 293 1HB ALA 40 1HB ALA 40 7.573 5.556 11.673 294 2HB ALA 40 2HB ALA 40 8.529 4.193 11.092 295 3HB ALA 40 3HB ALA 40 7.827 5.330 9.943 296 H GLN 41 H GLN 41 4.434 5.419 10.956 297 HA GLN 41 HA GLN 41 3.035 4.819 8.642 298 1HB GLN 41 2HB GLN 41 2.597 6.396 10.833 299 2HB GLN 41 1HB GLN 41 2.783 7.607 9.571 300 1HG GLN 41 2HG GLN 41 1.061 5.441 8.738 301 2HG GLN 41 1HG GLN 41 0.488 6.211 10.218 302 1HE2 GLN 41 1HE2 GLN 41 -0.450 8.163 10.101 303 2HE2 GLN 41 2HE2 GLN 41 -0.647 9.078 8.646 304 H LEU 42 H LEU 42 3.660 5.052 6.603 305 HA LEU 42 HA LEU 42 5.825 6.784 5.927 306 1HB LEU 42 2HB LEU 42 4.147 4.806 4.448 307 2HB LEU 42 1HB LEU 42 5.150 5.921 3.541 308 HG LEU 42 HG LEU 42 6.173 4.021 5.653 309 1HD1 LEU 42 1HD1 LEU 42 5.346 2.817 3.705 310 2HD1 LEU 42 2HD1 LEU 42 6.322 3.841 2.650 311 3HD1 LEU 42 3HD1 LEU 42 7.107 2.752 3.793 312 1HD2 LEU 42 1HD2 LEU 42 8.369 4.612 4.462 313 2HD2 LEU 42 2HD2 LEU 42 7.496 6.012 3.842 314 3HD2 LEU 42 3HD2 LEU 42 7.688 5.793 5.581 315 H GLY 43 H GLY 43 2.355 6.949 5.609 316 1HA GLY 43 1HA GLY 43 2.359 9.160 3.755 317 2HA GLY 43 2HA GLY 43 0.982 8.573 4.678 318 H ASP 44 H ASP 44 3.159 8.832 6.953 319 HA ASP 44 HA ASP 44 2.154 11.240 8.076 320 1HB ASP 44 2HB ASP 44 3.205 9.057 9.150 321 2HB ASP 44 1HB ASP 44 4.693 9.986 9.028 322 H ILE 45 H ILE 45 4.876 10.429 6.094 323 HA ILE 45 HA ILE 45 6.113 13.045 6.560 324 HB ILE 45 HB ILE 45 8.089 12.214 5.530 325 1HG1 ILE 45 2HG1 ILE 45 6.610 9.682 4.785 326 1HG2 ILE 45 1HG2 ILE 45 7.814 11.458 7.799 327 2HG2 ILE 45 2HG2 ILE 45 6.858 10.076 7.265 328 3HG2 ILE 45 3HG2 ILE 45 8.570 10.175 6.857 329 1HD1 ILE 45 1HD1 ILE 45 9.093 9.536 5.039 330 2HD1 ILE 45 2HD1 ILE 45 8.470 9.134 3.437 331 3HD1 ILE 45 3HD1 ILE 45 9.224 10.702 3.721 332 H GLY 46 H GLY 46 3.836 11.750 4.612 333 1HA GLY 46 1HA GLY 46 2.943 13.416 2.977 334 2HA GLY 46 2HA GLY 46 4.578 13.470 2.330 335 H THR 47 H THR 47 4.760 12.395 0.486 336 HA THR 47 HA THR 47 3.499 9.755 0.361 337 HB THR 47 HB THR 47 2.075 10.824 -1.118 338 HG1 THR 47 1HG THR 47 2.507 9.708 -2.858 339 1HG2 THR 47 1HG2 THR 47 4.231 12.730 -1.381 340 2HG2 THR 47 2HG2 THR 47 2.503 12.943 -1.658 341 3HG2 THR 47 3HG2 THR 47 3.534 12.333 -2.951 342 H SER 48 H SER 48 5.247 8.544 0.647 343 HA SER 48 HA SER 48 7.188 8.419 -1.440 344 1HB SER 48 2HB SER 48 7.921 9.507 1.261 345 2HB SER 48 1HB SER 48 9.097 8.556 0.354 346 HG SER 48 HG SER 48 7.764 10.583 -1.018 347 H SER 49 H SER 49 7.150 6.363 -1.824 348 HA SER 49 HA SER 49 7.900 4.471 0.218 349 1HB SER 49 2HB SER 49 5.830 3.057 -0.890 350 2HB SER 49 1HB SER 49 5.757 3.881 0.666 351 HG SER 49 HG SER 49 5.190 5.768 -0.876 352 H TYR 50 H TYR 50 9.334 3.176 -0.695 353 HA TYR 50 HA TYR 50 9.712 3.406 -3.536 354 1HB TYR 50 2HB TYR 50 11.311 2.342 -1.265 355 2HB TYR 50 1HB TYR 50 11.680 1.740 -2.882 356 HD1 TYR 50 1HD TYR 50 12.667 4.084 -0.590 357 HD2 TYR 50 2HD TYR 50 11.582 3.812 -4.691 358 HE1 TYR 50 1HE TYR 50 13.919 6.144 -1.055 359 HE2 TYR 50 2HE TYR 50 12.838 5.866 -5.165 360 HH TYR 50 HH TYR 50 14.010 7.544 -4.316 361 H THR 51 H THR 51 8.626 2.224 -4.894 362 HA THR 51 HA THR 51 7.502 -0.295 -4.091 363 HB THR 51 HB THR 51 7.256 0.330 -6.919 364 HG1 THR 51 1HG THR 51 7.311 2.462 -6.534 365 1HG2 THR 51 1HG2 THR 51 5.206 -0.507 -6.577 366 2HG2 THR 51 2HG2 THR 51 4.896 0.573 -5.214 367 3HG2 THR 51 3HG2 THR 51 5.791 -0.928 -4.969 368 H LYS 52 H LYS 52 8.960 -1.857 -3.952 369 HA LYS 52 HA LYS 52 9.942 -2.996 -6.380 370 1HB LYS 52 2HB LYS 52 12.306 -3.237 -5.179 371 2HB LYS 52 1HB LYS 52 11.939 -1.857 -6.205 372 1HG LYS 52 2HG LYS 52 12.613 -0.632 -4.481 373 2HG LYS 52 1HG LYS 52 11.056 -1.026 -3.754 374 1HD LYS 52 2HD LYS 52 12.631 -3.227 -3.196 375 2HD LYS 52 1HD LYS 52 13.731 -1.862 -2.991 376 1HE LYS 52 2HE LYS 52 12.850 -1.677 -0.953 377 2HE LYS 52 1HE LYS 52 11.446 -0.982 -1.767 378 1HZ LYS 52 1HZ LYS 52 11.106 -3.693 -1.955 379 2HZ LYS 52 2HZ LYS 52 10.291 -2.643 -0.903 380 3HZ LYS 52 3HZ LYS 52 11.684 -3.453 -0.379 381 H SER 53 H SER 53 10.020 -5.185 -6.170 382 HA SER 53 HA SER 53 9.728 -7.257 -5.263 383 1HB SER 53 2HB SER 53 10.344 -6.332 -2.492 384 2HB SER 53 1HB SER 53 10.856 -7.802 -3.328 385 HG SER 53 HG SER 53 12.520 -6.767 -4.178 386 H GLY 54 H GLY 54 7.710 -4.894 -4.969 387 1HA GLY 54 1HA GLY 54 5.576 -4.605 -4.165 388 2HA GLY 54 2HA GLY 54 5.559 -6.327 -3.796 389 H MET 55 H MET 55 8.095 -4.424 -2.502 390 HA MET 55 HA MET 55 6.937 -4.761 0.173 391 1HB MET 55 2HB MET 55 9.008 -6.055 -0.517 392 2HB MET 55 1HB MET 55 9.853 -4.517 -0.570 393 1HG MET 55 2HG MET 55 8.858 -4.346 1.893 394 2HG MET 55 1HG MET 55 8.936 -6.102 1.743 395 1HE MET 55 1HE MET 55 11.375 -6.153 -0.409 396 2HE MET 55 2HE MET 55 12.794 -6.380 0.616 397 3HE MET 55 3HE MET 55 11.342 -7.340 0.895 398 H ILE 56 H ILE 56 6.332 -2.973 1.127 399 HA ILE 56 HA ILE 56 7.099 -0.376 0.145 400 HB ILE 56 HB ILE 56 5.765 -0.382 2.746 401 1HG1 ILE 56 2HG1 ILE 56 4.278 -1.618 0.419 402 1HG2 ILE 56 1HG2 ILE 56 4.839 1.470 1.907 403 2HG2 ILE 56 2HG2 ILE 56 5.980 1.277 0.575 404 3HG2 ILE 56 3HG2 ILE 56 4.338 0.655 0.426 405 1HD1 ILE 56 1HD1 ILE 56 3.024 -2.209 2.829 406 2HD1 ILE 56 2HD1 ILE 56 3.422 -0.494 2.916 407 3HD1 ILE 56 3HD1 ILE 56 2.462 -1.111 1.568 408 H LEU 57 H LEU 57 8.943 0.568 0.659 409 HA LEU 57 HA LEU 57 9.924 0.308 3.424 410 1HB LEU 57 2HB LEU 57 11.638 0.436 0.939 411 2HB LEU 57 1HB LEU 57 12.235 0.475 2.584 412 HG LEU 57 HG LEU 57 10.831 -1.846 1.269 413 1HD1 LEU 57 1HD1 LEU 57 13.036 -2.936 1.534 414 2HD1 LEU 57 2HD1 LEU 57 13.061 -1.569 0.418 415 3HD1 LEU 57 3HD1 LEU 57 13.704 -1.388 2.054 416 1HD2 LEU 57 1HD2 LEU 57 10.652 -2.858 3.253 417 2HD2 LEU 57 2HD2 LEU 57 12.230 -2.284 3.794 418 3HD2 LEU 57 3HD2 LEU 57 10.816 -1.241 3.936 419 H CYS 58 H CYS 58 11.419 2.114 3.995 420 HA CYS 58 HA CYS 58 10.291 4.639 3.169 421 1HB CYS 58 2HB CYS 58 11.941 5.538 4.866 422 2HB CYS 58 1HB CYS 58 10.729 4.431 5.502 423 H ARG 59 H ARG 59 12.208 6.417 3.099 424 HA ARG 59 HA ARG 59 13.704 5.774 0.702 425 1HB ARG 59 2HB ARG 59 13.350 8.273 2.342 426 2HB ARG 59 1HB ARG 59 14.543 8.182 1.055 427 1HG ARG 59 2HG ARG 59 12.204 7.234 -0.099 428 2HG ARG 59 1HG ARG 59 11.696 8.596 0.904 429 1HD ARG 59 2HD ARG 59 13.884 9.655 -0.248 430 2HD ARG 59 1HD ARG 59 13.381 8.541 -1.520 431 HE ARG 59 HE ARG 59 11.341 9.726 -1.708 432 1HH1 ARG 59 2HH1 ARG 59 13.655 11.244 0.445 433 2HH1 ARG 59 1HH1 ARG 59 12.760 12.736 0.525 434 1HH2 ARG 59 2HH2 ARG 59 10.244 11.697 -1.669 435 2HH2 ARG 59 1HH2 ARG 59 10.856 13.016 -0.698 436 H ASN 60 H ASN 60 14.180 5.448 4.002 437 HA ASN 60 HA ASN 60 17.071 5.837 3.869 438 1HB ASN 60 2HB ASN 60 16.016 6.716 5.857 439 2HB ASN 60 1HB ASN 60 15.237 5.170 6.179 440 1HD2 ASN 60 1HD2 ASN 60 16.188 3.935 7.630 441 2HD2 ASN 60 2HD2 ASN 60 17.861 3.986 8.070 442 H ASP 61 H ASP 61 14.734 3.286 4.689 443 HA ASP 61 HA ASP 61 16.629 1.254 5.112 444 1HB ASP 61 2HB ASP 61 13.697 1.285 4.483 445 2HB ASP 61 1HB ASP 61 14.570 -0.244 4.483 446 H TYR 62 H TYR 62 15.001 2.384 2.234 447 HA TYR 62 HA TYR 62 15.558 0.333 0.453 448 1HB TYR 62 2HB TYR 62 14.110 2.288 -0.021 449 2HB TYR 62 1HB TYR 62 15.547 3.302 -0.128 450 HD1 TYR 62 1HD TYR 62 14.260 0.108 -1.570 451 HD2 TYR 62 2HD TYR 62 16.339 3.756 -2.240 452 HE1 TYR 62 1HE TYR 62 14.450 -0.452 -3.951 453 HE2 TYR 62 2HE TYR 62 16.525 3.214 -4.636 454 HH TYR 62 HH TYR 62 14.760 1.292 -6.224 455 H ILE 63 H ILE 63 17.565 3.066 1.422 456 HA ILE 63 HA ILE 63 19.598 2.725 -0.478 457 HB ILE 63 HB ILE 63 19.928 3.878 2.289 458 1HG1 ILE 63 2HG1 ILE 63 18.033 4.980 1.351 459 1HG2 ILE 63 1HG2 ILE 63 21.999 4.326 1.653 460 2HG2 ILE 63 2HG2 ILE 63 21.696 3.591 0.079 461 3HG2 ILE 63 3HG2 ILE 63 21.369 5.308 0.331 462 1HD1 ILE 63 1HD1 ILE 63 19.129 6.143 -1.027 463 2HD1 ILE 63 2HD1 ILE 63 19.115 4.384 -1.147 464 3HD1 ILE 63 3HD1 ILE 63 17.622 5.256 -0.799 465 H ARG 64 H ARG 64 19.132 1.278 2.699 466 HA ARG 64 HA ARG 64 21.782 0.123 2.691 467 1HB ARG 64 2HB ARG 64 19.877 0.738 4.660 468 2HB ARG 64 1HB ARG 64 20.029 -1.014 4.680 469 1HG ARG 64 2HG ARG 64 21.923 -0.854 5.809 470 2HG ARG 64 1HG ARG 64 22.636 0.107 4.513 471 1HD ARG 64 2HD ARG 64 20.829 1.316 6.584 472 2HD ARG 64 1HD ARG 64 22.563 1.139 6.849 473 HE ARG 64 HE ARG 64 22.893 2.570 4.874 474 1HH1 ARG 64 2HH1 ARG 64 19.800 2.639 6.523 475 2HH1 ARG 64 1HH1 ARG 64 19.368 4.203 5.899 476 1HH2 ARG 64 2HH2 ARG 64 22.324 4.629 4.068 477 2HH2 ARG 64 1HH2 ARG 64 20.788 5.327 4.493 478 H LEU 65 H LEU 65 18.515 -0.908 1.990 479 HA LEU 65 HA LEU 65 19.297 -3.694 1.940 480 1HB LEU 65 2HB LEU 65 16.642 -2.422 1.289 481 2HB LEU 65 1HB LEU 65 16.937 -4.139 1.482 482 HG LEU 65 HG LEU 65 17.298 -2.102 3.675 483 1HD1 LEU 65 1HD1 LEU 65 14.931 -3.543 2.708 484 2HD1 LEU 65 2HD1 LEU 65 15.205 -3.616 4.449 485 3HD1 LEU 65 3HD1 LEU 65 15.057 -2.054 3.646 486 1HD2 LEU 65 1HD2 LEU 65 17.864 -3.806 5.071 487 2HD2 LEU 65 2HD2 LEU 65 16.922 -4.999 4.174 488 3HD2 LEU 65 3HD2 LEU 65 18.491 -4.474 3.563 489 H PHE 66 H PHE 66 18.338 -1.235 -0.427 490 HA PHE 66 HA PHE 66 18.907 -3.206 -2.553 491 1HB PHE 66 2HB PHE 66 16.773 -1.084 -2.371 492 2HB PHE 66 1HB PHE 66 17.215 -1.848 -3.893 493 HD1 PHE 66 1HD PHE 66 15.919 -2.557 -0.491 494 HD2 PHE 66 2HD PHE 66 16.317 -3.903 -4.505 495 HE1 PHE 66 1HE PHE 66 14.344 -4.388 -0.029 496 HE2 PHE 66 2HE PHE 66 14.741 -5.733 -4.053 497 HZ PHE 66 HZ PHE 66 13.749 -5.973 -1.817 498 H GLY 67 H GLY 67 18.965 0.233 -1.716 499 1HA GLY 67 1HA GLY 67 20.212 0.987 -4.181 500 2HA GLY 67 2HA GLY 67 19.938 2.021 -2.791 501 H ASN 68 H ASN 68 22.133 2.698 -3.730 502 HA ASN 68 HA ASN 68 24.338 1.067 -2.752 503 1HB ASN 68 2HB ASN 68 24.675 2.206 -4.886 504 2HB ASN 68 1HB ASN 68 24.311 3.761 -4.140 505 1HD2 ASN 68 1HD2 ASN 68 26.156 4.849 -4.221 506 2HD2 ASN 68 2HD2 ASN 68 27.678 4.286 -3.597 507 H SER 69 H SER 69 24.810 1.170 -0.679 508 HA SER 69 HA SER 69 23.775 3.245 0.982 509 1HB SER 69 2HB SER 69 25.795 1.200 1.873 510 2HB SER 69 1HB SER 69 24.459 1.911 2.786 511 HG SER 69 HG SER 69 23.207 0.802 0.892 512 H GLY 70 H GLY 70 24.974 4.921 -0.317 513 1HA GLY 70 1HA GLY 70 27.555 5.470 1.011 514 2HA GLY 70 2HA GLY 70 27.313 5.801 -0.700 515 H ALA 71 H ALA 71 27.477 7.991 -0.732 516 HA ALA 71 HA ALA 71 25.235 9.463 0.321 517 1HB ALA 71 1HB ALA 71 27.968 10.383 1.178 518 2HB ALA 71 2HB ALA 71 26.395 10.987 1.701 519 3HB ALA 71 3HB ALA 71 26.933 9.386 2.200 520 H GLY 72 H GLY 72 24.735 11.134 -0.982 521 1HA GLY 72 1HA GLY 72 26.575 11.652 -3.222 522 2HA GLY 72 2HA GLY 72 24.847 11.982 -3.215 523 H GLY 73 H GLY 73 25.376 13.046 -0.359 524 1HA GLY 73 1HA GLY 73 26.033 15.037 0.640 525 2HA GLY 73 2HA GLY 73 26.868 15.478 -0.844 526 H SER 74 H SER 74 25.658 16.389 -2.572 527 HA SER 74 HA SER 74 23.591 18.151 -1.708 528 1HB SER 74 2HB SER 74 23.690 18.020 -4.553 529 2HB SER 74 1HB SER 74 24.338 19.276 -3.496 530 HG SER 74 HG SER 74 26.285 18.515 -3.791 531 H GLY 75 H GLY 75 23.653 15.397 -3.995 532 1HA GLY 75 1HA GLY 75 21.361 14.180 -3.085 533 2HA GLY 75 2HA GLY 75 20.803 15.354 -4.265 534 H GLY 76 H GLY 76 23.281 15.011 -5.888 535 1HA GLY 76 1HA GLY 76 23.964 13.740 -7.676 536 2HA GLY 76 2HA GLY 76 23.452 12.318 -6.776 537 H HIS 77 H HIS 77 22.184 11.167 -8.084 538 HA HIS 77 HA HIS 77 20.257 12.492 -9.831 539 1HB HIS 77 2HB HIS 77 21.562 10.428 -10.533 540 2HB HIS 77 1HB HIS 77 20.601 9.519 -9.374 541 HD1 HIS 77 1HD HIS 77 20.658 10.508 -12.834 542 HD2 HIS 77 2HD HIS 77 17.690 9.710 -10.024 543 HE1 HIS 77 1HE HIS 77 18.552 10.095 -14.159 544 HE2 HIS 77 2HE HIS 77 16.743 9.731 -12.433 545 H MET 78 H MET 78 19.020 13.474 -8.143 546 HA MET 78 HA MET 78 17.534 11.598 -6.442 547 1HB MET 78 2HB MET 78 18.782 14.094 -5.922 548 2HB MET 78 1HB MET 78 17.051 14.319 -5.718 549 1HG MET 78 2HG MET 78 18.046 11.879 -4.478 550 2HG MET 78 1HG MET 78 18.781 13.347 -3.835 551 1HE MET 78 1HE MET 78 18.119 14.030 -1.853 552 2HE MET 78 2HE MET 78 17.140 15.353 -2.490 553 3HE MET 78 3HE MET 78 16.494 14.306 -1.226 554 H GLY 79 H GLY 79 15.834 10.950 -7.646 555 1HA GLY 79 1HA GLY 79 14.184 12.965 -8.997 556 2HA GLY 79 2HA GLY 79 14.006 11.220 -9.128 557 H SER 80 H SER 80 14.500 11.810 -5.984 558 HA SER 80 HA SER 80 11.754 11.352 -5.300 559 1HB SER 80 2HB SER 80 13.317 11.793 -2.983 560 2HB SER 80 1HB SER 80 12.815 10.245 -3.664 561 HG SER 80 HG SER 80 15.263 11.490 -3.735 562 H GLY 81 H GLY 81 10.488 12.657 -3.898 563 1HA GLY 81 1HA GLY 81 11.233 15.066 -2.744 564 2HA GLY 81 2HA GLY 81 10.714 15.458 -4.374 565 H GLY 82 H GLY 82 9.183 12.748 -2.911 566 1HA GLY 82 1HA GLY 82 6.659 14.141 -2.964 567 2HA GLY 82 2HA GLY 82 6.911 12.443 -2.602 568 H ASP 83 H ASP 83 8.838 14.601 -0.767 569 HA ASP 83 HA ASP 83 7.491 13.882 1.669 570 1HB ASP 83 2HB ASP 83 9.456 16.120 1.659 571 2HB ASP 83 1HB ASP 83 9.295 14.778 2.783 572 H VAL 84 H VAL 84 5.451 14.867 0.615 573 HA VAL 84 HA VAL 84 5.254 17.723 0.643 574 HB VAL 84 HB VAL 84 2.847 17.357 0.157 575 1HG1 VAL 84 1HG1 VAL 84 4.252 15.508 -1.685 576 2HG1 VAL 84 2HG1 VAL 84 3.244 16.912 -2.036 577 3HG1 VAL 84 3HG1 VAL 84 4.911 17.135 -1.506 578 1HG2 VAL 84 1HG2 VAL 84 3.186 14.942 1.403 579 2HG2 VAL 84 2HG2 VAL 84 1.799 15.393 0.408 580 3HG2 VAL 84 3HG2 VAL 84 3.136 14.486 -0.302 581 H MET 85 H MET 85 5.203 15.478 3.101 582 HA MET 85 HA MET 85 3.763 17.367 4.839 583 1HB MET 85 2HB MET 85 2.618 15.057 4.329 584 2HB MET 85 1HB MET 85 3.785 14.443 5.490 585 1HG MET 85 2HG MET 85 2.730 15.370 7.242 586 2HG MET 85 1HG MET 85 2.295 16.824 6.345 587 1HE MET 85 1HE MET 85 -1.323 16.457 5.949 588 2HE MET 85 2HE MET 85 -0.035 17.303 6.808 589 3HE MET 85 3HE MET 85 0.024 17.157 5.050 590 H VAL 86 H VAL 86 6.564 17.056 4.104 591 HA VAL 86 HA VAL 86 7.890 15.996 6.446 592 HB VAL 86 HB VAL 86 8.781 16.043 3.994 593 1HG1 VAL 86 1HG1 VAL 86 9.791 18.728 4.903 594 2HG1 VAL 86 2HG1 VAL 86 10.109 17.926 3.365 595 3HG1 VAL 86 3HG1 VAL 86 8.484 18.497 3.744 596 1HG2 VAL 86 1HG2 VAL 86 9.973 15.693 6.427 597 2HG2 VAL 86 2HG2 VAL 86 10.731 15.390 4.863 598 3HG2 VAL 86 3HG2 VAL 86 10.989 16.929 5.685 599 H VAL 87 H VAL 87 9.556 17.515 7.529 600 HA VAL 87 HA VAL 87 8.229 19.446 8.963 601 HB VAL 87 HB VAL 87 10.312 18.491 9.746 602 1HG1 VAL 87 1HG1 VAL 87 11.588 18.234 7.767 603 2HG1 VAL 87 2HG1 VAL 87 11.565 19.967 7.443 604 3HG1 VAL 87 3HG1 VAL 87 12.486 19.338 8.808 605 1HG2 VAL 87 1HG2 VAL 87 10.073 20.372 10.982 606 2HG2 VAL 87 2HG2 VAL 87 11.552 20.828 10.135 607 3HG2 VAL 87 3HG2 VAL 87 9.993 21.424 9.568 608 H GLY 88 H GLY 88 9.957 19.836 5.934 609 1HA GLY 88 1HA GLY 88 8.987 21.612 4.503 610 2HA GLY 88 2HA GLY 88 9.114 22.664 5.907 611 H GLU 89 H GLU 89 11.601 22.007 6.842 612 HA GLU 89 HA GLU 89 13.309 23.507 5.172 613 1HB GLU 89 2HB GLU 89 13.722 21.835 7.635 614 2HB GLU 89 1HB GLU 89 15.099 22.515 6.779 615 1HG GLU 89 2HG GLU 89 14.725 24.145 8.325 616 2HG GLU 89 1HG GLU 89 13.739 24.743 6.991 617 HA PRO 90 HA PRO 90 14.551 20.363 2.353 618 1HB PRO 90 2HB PRO 90 16.898 21.993 1.731 619 2HB PRO 90 1HB PRO 90 15.492 21.626 0.728 620 1HG PRO 90 2HG PRO 90 15.932 24.086 1.735 621 2HG PRO 90 1HG PRO 90 14.298 23.434 1.510 622 1HD PRO 90 2HD PRO 90 15.936 23.613 4.015 623 2HD PRO 90 1HD PRO 90 14.210 23.967 3.772 624 H THR 91 H THR 91 15.645 20.194 5.161 625 HA THR 91 HA THR 91 18.372 19.278 4.807 626 HB THR 91 HB THR 91 17.271 18.482 7.326 627 HG1 THR 91 1HG THR 91 16.000 20.091 7.823 628 1HG2 THR 91 1HG2 THR 91 19.017 19.831 8.219 629 2HG2 THR 91 2HG2 THR 91 19.100 20.810 6.755 630 3HG2 THR 91 3HG2 THR 91 19.638 19.131 6.725 631 H LEU 92 H LEU 92 16.955 17.834 3.111 632 HA LEU 92 HA LEU 92 15.836 15.443 4.216 633 1HB LEU 92 2HB LEU 92 16.138 16.662 1.613 634 2HB LEU 92 1HB LEU 92 16.550 14.961 1.548 635 HG LEU 92 HG LEU 92 14.341 14.421 2.546 636 1HD1 LEU 92 1HD1 LEU 92 13.341 17.140 1.933 637 2HD1 LEU 92 2HD1 LEU 92 12.792 15.971 3.132 638 3HD1 LEU 92 3HD1 LEU 92 14.241 16.931 3.434 639 1HD2 LEU 92 1HD2 LEU 92 13.008 15.132 0.510 640 2HD2 LEU 92 2HD2 LEU 92 14.467 15.964 -0.031 641 3HD2 LEU 92 3HD2 LEU 92 14.482 14.216 0.204 642 H MET 93 H MET 93 18.807 16.194 2.426 643 HA MET 93 HA MET 93 20.798 15.126 2.215 644 1HB MET 93 2HB MET 93 20.042 14.743 5.062 645 2HB MET 93 1HB MET 93 21.390 13.791 4.455 646 1HG MET 93 2HG MET 93 22.644 15.549 4.965 647 2HG MET 93 1HG MET 93 21.969 16.291 3.515 648 1HE MET 93 1HE MET 93 21.261 19.528 5.169 649 2HE MET 93 2HE MET 93 22.733 18.640 4.767 650 3HE MET 93 3HE MET 93 21.368 18.639 3.650 651 H GLY 94 H GLY 94 19.027 13.816 0.839 652 1HA GLY 94 1HA GLY 94 19.551 10.976 1.442 653 2HA GLY 94 2HA GLY 94 17.979 11.520 0.866 654 H GLY 95 H GLY 95 21.360 12.118 -0.065 655 1HA GLY 95 1HA GLY 95 20.536 11.813 -2.868 656 2HA GLY 95 2HA GLY 95 21.987 12.634 -2.309 657 H GLU 96 H GLU 96 21.402 9.715 -0.709 658 HA GLU 96 HA GLU 96 23.758 8.516 -1.744 659 1HB GLU 96 2HB GLU 96 22.402 6.462 -0.513 660 2HB GLU 96 1HB GLU 96 23.520 7.565 0.274 661 1HG GLU 96 2HG GLU 96 20.792 8.588 0.069 662 2HG GLU 96 1HG GLU 96 20.943 7.116 1.028 663 H PHE 97 H PHE 97 20.301 7.906 -2.214 664 HA PHE 97 HA PHE 97 20.755 6.992 -4.879 665 1HB PHE 97 2HB PHE 97 21.144 4.977 -3.175 666 2HB PHE 97 1HB PHE 97 19.387 4.898 -3.259 667 HD1 PHE 97 1HD PHE 97 18.268 4.183 -5.249 668 HD2 PHE 97 2HD PHE 97 22.507 4.554 -5.158 669 HE1 PHE 97 1HE PHE 97 18.420 2.923 -7.355 670 HE2 PHE 97 2HE PHE 97 22.666 3.296 -7.268 671 HZ PHE 97 HZ PHE 97 20.620 2.480 -8.367 672 H GLY 98 H GLY 98 19.399 8.964 -4.819 673 1HA GLY 98 1HA GLY 98 16.707 8.750 -3.840 674 2HA GLY 98 2HA GLY 98 17.372 10.068 -4.792 675 H ASP 99 H ASP 99 16.297 6.700 -5.074 676 HA ASP 99 HA ASP 99 15.970 6.739 -7.890 677 1HB ASP 99 2HB ASP 99 16.078 4.732 -6.198 678 2HB ASP 99 1HB ASP 99 14.332 4.949 -6.125 679 H GLU 100 H GLU 100 14.164 7.096 -9.151 680 HA GLU 100 HA GLU 100 12.225 8.888 -7.958 681 1HB GLU 100 2HB GLU 100 11.988 8.167 -10.819 682 2HB GLU 100 1HB GLU 100 11.909 9.741 -10.043 683 1HG GLU 100 2HG GLU 100 14.206 10.021 -10.079 684 2HG GLU 100 1HG GLU 100 14.513 8.294 -10.244 685 H ASP 101 H ASP 101 11.771 6.463 -6.903 686 HA ASP 101 HA ASP 101 9.215 5.694 -8.140 687 1HB ASP 101 2HB ASP 101 11.324 4.032 -8.306 688 2HB ASP 101 1HB ASP 101 10.729 3.571 -6.715 689 H GLU 102 H GLU 102 9.720 7.536 -6.025 690 HA GLU 102 HA GLU 102 8.905 6.058 -3.633 691 1HB GLU 102 2HB GLU 102 9.242 8.481 -2.628 692 2HB GLU 102 1HB GLU 102 10.601 7.403 -2.909 693 1HG GLU 102 2HG GLU 102 11.468 9.212 -3.908 694 2HG GLU 102 1HG GLU 102 10.515 8.645 -5.279 695 H ARG 103 H ARG 103 7.630 8.117 -6.052 696 HA ARG 103 HA ARG 103 5.479 9.179 -4.481 697 1HB ARG 103 2HB ARG 103 6.528 10.211 -6.585 698 2HB ARG 103 1HB ARG 103 5.560 9.057 -7.490 699 1HG ARG 103 2HG ARG 103 4.457 11.207 -7.396 700 2HG ARG 103 1HG ARG 103 3.522 9.997 -6.515 701 1HD ARG 103 2HD ARG 103 3.456 11.632 -4.953 702 2HD ARG 103 1HD ARG 103 5.014 10.941 -4.504 703 HE ARG 103 HE ARG 103 6.041 12.721 -5.886 704 1HH1 ARG 103 2HH1 ARG 103 2.776 13.150 -4.685 705 2HH1 ARG 103 1HH1 ARG 103 2.854 14.890 -4.719 706 1HH2 ARG 103 2HH2 ARG 103 6.152 15.004 -5.933 707 2HH2 ARG 103 1HH2 ARG 103 4.787 15.943 -5.388 708 H LEU 104 H LEU 104 5.351 6.602 -3.942 709 HA LEU 104 HA LEU 104 3.397 5.335 -5.692 710 1HB LEU 104 2HB LEU 104 5.157 3.900 -4.935 711 2HB LEU 104 1HB LEU 104 4.904 4.375 -3.266 712 HG LEU 104 HG LEU 104 2.563 3.319 -3.531 713 1HD1 LEU 104 1HD1 LEU 104 2.474 3.050 -5.893 714 2HD1 LEU 104 2HD1 LEU 104 3.996 2.162 -5.910 715 3HD1 LEU 104 3HD1 LEU 104 2.561 1.442 -5.177 716 1HD2 LEU 104 1HD2 LEU 104 4.660 2.440 -2.307 717 2HD2 LEU 104 2HD2 LEU 104 3.347 1.316 -2.665 718 3HD2 LEU 104 3HD2 LEU 104 4.794 1.329 -3.673 719 H ILE 105 H ILE 105 3.553 7.118 -2.745 720 HA ILE 105 HA ILE 105 1.076 6.115 -1.689 721 HB ILE 105 HB ILE 105 2.815 8.449 -0.917 722 1HG1 ILE 105 2HG1 ILE 105 1.987 5.940 0.560 723 1HG2 ILE 105 1HG2 ILE 105 0.581 9.227 -0.517 724 2HG2 ILE 105 2HG2 ILE 105 0.128 7.695 0.228 725 3HG2 ILE 105 3HG2 ILE 105 1.283 8.758 1.032 726 1HD1 ILE 105 1HD1 ILE 105 4.379 6.960 1.578 727 2HD1 ILE 105 2HD1 ILE 105 3.260 8.322 1.488 728 3HD1 ILE 105 3HD1 ILE 105 2.813 6.867 2.379 729 H THR 106 H THR 106 -0.693 6.425 -2.843 730 HA THR 106 HA THR 106 -1.196 9.062 -4.027 731 HB THR 106 HB THR 106 -2.716 6.477 -4.426 732 HG1 THR 106 1HG THR 106 -0.498 7.601 -5.737 733 1HG2 THR 106 1HG2 THR 106 -4.247 7.691 -5.486 734 2HG2 THR 106 2HG2 THR 106 -3.007 8.322 -6.573 735 3HG2 THR 106 3HG2 THR 106 -3.369 9.163 -5.064 736 H ARG 107 H ARG 107 -2.094 10.376 -2.544 737 HA ARG 107 HA ARG 107 -3.753 9.296 -0.435 738 1HB ARG 107 2HB ARG 107 -2.533 10.989 0.487 739 2HB ARG 107 1HB ARG 107 -2.436 11.887 -1.018 740 1HG ARG 107 2HG ARG 107 -3.797 13.315 0.052 741 2HG ARG 107 1HG ARG 107 -5.056 12.187 -0.454 742 1HD ARG 107 2HD ARG 107 -5.589 11.946 1.690 743 2HD ARG 107 1HD ARG 107 -4.043 11.126 1.915 744 HE ARG 107 HE ARG 107 -3.171 13.048 2.873 745 1HH1 ARG 107 2HH1 ARG 107 -6.435 13.606 1.705 746 2HH1 ARG 107 1HH1 ARG 107 -6.535 15.197 2.409 747 1HH2 ARG 107 2HH2 ARG 107 -3.326 15.118 3.822 748 2HH2 ARG 107 1HH2 ARG 107 -4.780 16.047 3.615 749 H LEU 108 H LEU 108 -5.785 8.827 -0.818 750 HA LEU 108 HA LEU 108 -7.480 10.840 -2.044 751 1HB LEU 108 2HB LEU 108 -6.990 8.120 -3.166 752 2HB LEU 108 1HB LEU 108 -8.624 8.750 -3.226 753 HG LEU 108 HG LEU 108 -6.281 10.277 -4.335 754 1HD1 LEU 108 1HD1 LEU 108 -7.438 9.359 -6.544 755 2HD1 LEU 108 2HD1 LEU 108 -6.118 8.506 -5.745 756 3HD1 LEU 108 3HD1 LEU 108 -7.786 7.996 -5.481 757 1HD2 LEU 108 1HD2 LEU 108 -8.168 11.663 -3.996 758 2HD2 LEU 108 2HD2 LEU 108 -8.136 11.273 -5.715 759 3HD2 LEU 108 3HD2 LEU 108 -9.267 10.446 -4.644 760 H GLU 109 H GLU 109 -8.595 11.190 -0.215 761 HA GLU 109 HA GLU 109 -9.584 8.967 1.361 762 1HB GLU 109 2HB GLU 109 -10.466 10.714 2.848 763 2HB GLU 109 1HB GLU 109 -8.756 10.945 2.518 764 1HG GLU 109 2HG GLU 109 -10.655 12.364 0.761 765 2HG GLU 109 1HG GLU 109 -10.545 12.916 2.432 766 H ASN 110 H ASN 110 -11.896 8.861 1.944 767 HA ASN 110 HA ASN 110 -13.550 8.972 -0.401 768 1HB ASN 110 2HB ASN 110 -13.754 7.258 1.470 769 2HB ASN 110 1HB ASN 110 -14.487 8.532 2.442 770 1HD2 ASN 110 1HD2 ASN 110 -16.602 8.603 2.405 771 2HD2 ASN 110 2HD2 ASN 110 -17.625 8.041 1.116 772 H THR 111 H THR 111 -14.277 10.819 -1.139 773 HA THR 111 HA THR 111 -15.171 12.910 -1.276 774 HB THR 111 HB THR 111 -15.619 13.053 1.691 775 HG1 THR 111 1HG THR 111 -16.765 11.281 -0.090 776 1HG2 THR 111 1HG2 THR 111 -16.087 15.062 0.463 777 2HG2 THR 111 2HG2 THR 111 -17.626 14.332 0.924 778 3HG2 THR 111 3HG2 THR 111 -17.032 14.171 -0.729 779 H GLN 112 H GLN 112 -12.987 13.383 -1.788 780 HA GLN 112 HA GLN 112 -10.928 13.853 -0.044 781 1HB GLN 112 2HB GLN 112 -11.361 15.359 -2.624 782 2HB GLN 112 1HB GLN 112 -9.827 15.093 -1.804 783 1HG GLN 112 2HG GLN 112 -9.643 12.961 -2.536 784 2HG GLN 112 1HG GLN 112 -11.386 12.692 -2.546 785 1HE2 GLN 112 1HE2 GLN 112 -8.853 14.520 -4.200 786 2HE2 GLN 112 2HE2 GLN 112 -9.575 14.431 -5.775 787 H PHE 113 H PHE 113 -10.187 15.462 1.183 788 HA PHE 113 HA PHE 113 -11.996 17.727 1.641 789 1HB PHE 113 2HB PHE 113 -9.766 16.477 3.243 790 2HB PHE 113 1HB PHE 113 -10.422 18.055 3.656 791 HD1 PHE 113 1HD PHE 113 -10.592 16.422 5.795 792 HD2 PHE 113 2HD PHE 113 -13.107 16.306 2.366 793 HE1 PHE 113 1HE PHE 113 -12.348 15.327 7.124 794 HE2 PHE 113 2HE PHE 113 -14.870 15.216 3.690 795 HZ PHE 113 HZ PHE 113 -14.491 14.725 6.075 796 H ASP 114 H ASP 114 -11.493 19.732 0.986 797 HA ASP 114 HA ASP 114 -8.972 20.266 -0.318 798 1HB ASP 114 2HB ASP 114 -11.112 21.333 -1.055 799 2HB ASP 114 1HB ASP 114 -11.154 22.216 0.467 800 H ALA 115 H ALA 115 -10.619 21.179 2.640 801 HA ALA 115 HA ALA 115 -8.079 22.122 3.781 802 1HB ALA 115 1HB ALA 115 -9.283 23.755 4.699 803 2HB ALA 115 2HB ALA 115 -10.770 23.070 4.044 804 3HB ALA 115 3HB ALA 115 -10.177 22.544 5.619 805 H ALA 116 H ALA 116 -7.046 20.370 4.518 806 HA ALA 116 HA ALA 116 -8.428 18.031 5.385 807 1HB ALA 116 1HB ALA 116 -6.355 17.739 4.264 808 2HB ALA 116 2HB ALA 116 -5.515 18.780 5.412 809 3HB ALA 116 3HB ALA 116 -6.120 17.208 5.929 810 H ASN 117 H ASN 117 -7.129 20.802 7.025 811 HA ASN 117 HA ASN 117 -6.888 19.580 9.593 812 1HB ASN 117 2HB ASN 117 -5.699 21.670 8.954 813 2HB ASN 117 1HB ASN 117 -7.245 22.513 8.949 814 1HD2 ASN 117 1HD2 ASN 117 -5.336 20.397 11.077 815 2HD2 ASN 117 2HD2 ASN 117 -5.665 21.295 12.526 816 H GLY 118 H GLY 118 -9.526 20.615 7.742 817 1HA GLY 118 1HA GLY 118 -11.270 20.392 10.114 818 2HA GLY 118 2HA GLY 118 -11.652 21.453 8.761 819 H ILE 119 H ILE 119 -13.660 20.022 8.997 820 HA ILE 119 HA ILE 119 -13.326 17.542 7.454 821 HB ILE 119 HB ILE 119 -15.970 17.557 8.060 822 1HG1 ILE 119 2HG1 ILE 119 -15.132 18.186 10.759 823 1HG2 ILE 119 1HG2 ILE 119 -13.649 16.137 8.823 824 2HG2 ILE 119 2HG2 ILE 119 -14.633 16.365 10.268 825 3HG2 ILE 119 3HG2 ILE 119 -15.326 15.590 8.844 826 1HD1 ILE 119 1HD1 ILE 119 -17.082 19.796 10.567 827 2HD1 ILE 119 2HD1 ILE 119 -17.327 19.128 8.953 828 3HD1 ILE 119 3HD1 ILE 119 -17.433 18.078 10.367 829 H ASP 120 H ASP 120 -12.959 18.659 5.505 830 HA ASP 120 HA ASP 120 -14.746 20.640 4.547 831 1HB ASP 120 2HB ASP 120 -12.315 20.377 3.908 832 2HB ASP 120 1HB ASP 120 -12.813 19.038 2.876 833 H ASP 121 H ASP 121 -16.733 19.514 4.827 834 HA ASP 121 HA ASP 121 -17.814 18.563 2.406 835 1HB ASP 121 2HB ASP 121 -16.784 16.440 2.904 836 2HB ASP 121 1HB ASP 121 -17.368 16.487 4.564 837 H GLU 122 H GLU 122 -18.040 18.715 5.907 838 HA GLU 122 HA GLU 122 -20.879 19.440 5.646 839 1HB GLU 122 2HB GLU 122 -19.526 18.421 8.147 840 2HB GLU 122 1HB GLU 122 -21.249 18.640 7.875 841 1HG GLU 122 2HG GLU 122 -20.709 16.924 5.897 842 2HG GLU 122 1HG GLU 122 -19.462 16.447 7.048 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -7.305 2.580 -8.336 2 2H GLY 1 2H GLY 1 -8.237 2.197 -6.972 3 3H GLY 1 3H GLY 1 -7.223 3.556 -6.954 4 1HA GLY 1 2HA GLY 1 -8.571 4.516 -8.787 5 2HA GLY 1 1HA GLY 1 -9.689 3.178 -8.555 6 H SER 2 H SER 2 -11.251 4.912 -8.115 7 HA SER 2 HA SER 2 -11.114 5.696 -5.280 8 1HB SER 2 2HB SER 2 -12.711 7.564 -6.765 9 2HB SER 2 1HB SER 2 -11.266 7.869 -5.802 10 HG SER 2 HG SER 2 -10.321 8.256 -7.628 11 H LEU 3 H LEU 3 -12.602 3.799 -7.428 12 HA LEU 3 HA LEU 3 -15.280 4.153 -6.261 13 1HB LEU 3 2HB LEU 3 -14.325 3.384 -8.901 14 2HB LEU 3 1HB LEU 3 -15.463 2.221 -8.253 15 HG LEU 3 HG LEU 3 -16.864 3.644 -9.405 16 1HD1 LEU 3 1HD1 LEU 3 -17.313 3.523 -6.852 17 2HD1 LEU 3 2HD1 LEU 3 -16.855 5.228 -6.870 18 3HD1 LEU 3 3HD1 LEU 3 -18.219 4.668 -7.840 19 1HD2 LEU 3 1HD2 LEU 3 -14.706 5.505 -9.069 20 2HD2 LEU 3 2HD2 LEU 3 -16.007 5.503 -10.258 21 3HD2 LEU 3 3HD2 LEU 3 -16.244 6.284 -8.695 22 H SER 4 H SER 4 -15.668 1.258 -7.308 23 HA SER 4 HA SER 4 -15.790 -0.803 -6.355 24 1HB SER 4 2HB SER 4 -13.001 -0.442 -5.317 25 2HB SER 4 1HB SER 4 -13.733 -1.851 -6.086 26 HG SER 4 HG SER 4 -12.760 -1.145 -7.810 27 H TRP 5 H TRP 5 -14.145 -1.628 -3.991 28 HA TRP 5 HA TRP 5 -15.436 -0.013 -1.918 29 1HB TRP 5 2HB TRP 5 -16.010 -1.910 -0.602 30 2HB TRP 5 1HB TRP 5 -16.603 -2.234 -2.222 31 HD1 TRP 5 HD TRP 5 -14.820 -3.896 -3.725 32 HE1 TRP 5 1HE TRP 5 -13.639 -6.028 -2.894 33 HE3 TRP 5 3HE TRP 5 -15.100 -3.066 1.317 34 HZ2 TRP 5 2HZ TRP 5 -12.930 -7.201 -0.426 35 HZ3 TRP 5 3HZ TRP 5 -14.157 -4.750 2.842 36 HH2 TRP 5 HH TRP 5 -13.097 -6.775 1.988 37 H LYS 6 H LYS 6 -14.034 0.862 -0.620 38 HA LYS 6 HA LYS 6 -11.278 0.425 -0.943 39 1HB LYS 6 2HB LYS 6 -13.005 2.181 0.642 40 2HB LYS 6 1HB LYS 6 -11.496 1.786 1.453 41 1HG LYS 6 2HG LYS 6 -10.800 3.617 0.318 42 2HG LYS 6 1HG LYS 6 -10.507 2.413 -0.936 43 1HD LYS 6 2HD LYS 6 -11.725 3.830 -2.209 44 2HD LYS 6 1HD LYS 6 -13.089 3.011 -1.446 45 1HE LYS 6 2HE LYS 6 -13.284 4.763 0.199 46 2HE LYS 6 1HE LYS 6 -11.815 5.535 -0.395 47 1HZ LYS 6 1HZ LYS 6 -14.118 5.135 -2.198 48 2HZ LYS 6 2HZ LYS 6 -12.867 6.282 -2.294 49 3HZ LYS 6 3HZ LYS 6 -14.083 6.452 -1.130 50 H ARG 7 H ARG 7 -10.293 -1.377 -0.343 51 HA ARG 7 HA ARG 7 -10.810 -2.388 2.362 52 1HB ARG 7 2HB ARG 7 -10.862 -4.578 1.668 53 2HB ARG 7 1HB ARG 7 -11.604 -3.784 0.290 54 1HG ARG 7 2HG ARG 7 -10.027 -4.514 -1.081 55 2HG ARG 7 1HG ARG 7 -8.738 -3.948 -0.015 56 1HD ARG 7 2HD ARG 7 -10.209 -6.362 0.848 57 2HD ARG 7 1HD ARG 7 -9.166 -6.540 -0.561 58 HE ARG 7 HE ARG 7 -8.202 -5.532 2.045 59 1HH1 ARG 7 2HH1 ARG 7 -7.775 -7.446 -0.856 60 2HH1 ARG 7 1HH1 ARG 7 -6.234 -8.081 -0.362 61 1HH2 ARG 7 2HH2 ARG 7 -6.206 -6.385 2.714 62 2HH2 ARG 7 1HH2 ARG 7 -5.341 -7.492 1.679 63 H CYS 8 H CYS 8 -9.142 -2.573 3.634 64 HA CYS 8 HA CYS 8 -6.614 -1.543 2.854 65 1HB CYS 8 2HB CYS 8 -7.862 -1.334 5.106 66 2HB CYS 8 1HB CYS 8 -7.218 -2.933 5.451 67 H ALA 9 H ALA 9 -4.664 -2.529 2.794 68 HA ALA 9 HA ALA 9 -4.631 -5.476 2.818 69 1HB ALA 9 1HB ALA 9 -4.015 -4.216 0.658 70 2HB ALA 9 2HB ALA 9 -2.531 -3.775 1.503 71 3HB ALA 9 3HB ALA 9 -2.916 -5.473 1.225 72 H GLY 10 H GLY 10 -4.195 -3.037 4.776 73 1HA GLY 10 1HA GLY 10 -1.543 -3.797 5.772 74 2HA GLY 10 2HA GLY 10 -2.422 -2.336 6.190 75 H CYS 11 H CYS 11 -4.890 -3.410 6.927 76 HA CYS 11 HA CYS 11 -4.078 -4.914 9.314 77 1HB CYS 11 2HB CYS 11 -6.102 -3.940 10.414 78 2HB CYS 11 1HB CYS 11 -4.897 -2.746 9.950 79 H GLY 12 H GLY 12 -7.396 -4.438 8.431 80 1HA GLY 12 1HA GLY 12 -7.652 -7.356 8.131 81 2HA GLY 12 2HA GLY 12 -8.929 -6.277 8.664 82 H GLY 13 H GLY 13 -10.123 -5.106 7.140 83 1HA GLY 13 1HA GLY 13 -9.537 -5.567 4.315 84 2HA GLY 13 2HA GLY 13 -11.016 -6.276 4.945 85 H LYS 14 H LYS 14 -12.773 -4.986 5.343 86 HA LYS 14 HA LYS 14 -13.123 -2.750 3.760 87 1HB LYS 14 2HB LYS 14 -14.844 -4.279 4.973 88 2HB LYS 14 1HB LYS 14 -14.721 -3.098 6.271 89 1HG LYS 14 2HG LYS 14 -15.123 -1.882 3.656 90 2HG LYS 14 1HG LYS 14 -16.428 -2.973 4.132 91 1HD LYS 14 2HD LYS 14 -15.826 -1.492 6.423 92 2HD LYS 14 1HD LYS 14 -15.801 -0.327 5.098 93 1HE LYS 14 2HE LYS 14 -18.017 -0.328 5.008 94 2HE LYS 14 1HE LYS 14 -18.036 -2.076 4.780 95 1HZ LYS 14 1HZ LYS 14 -19.014 -2.154 6.758 96 2HZ LYS 14 2HZ LYS 14 -18.645 -0.539 7.115 97 3HZ LYS 14 3HZ LYS 14 -17.508 -1.760 7.441 98 H ILE 15 H ILE 15 -12.208 -0.832 3.865 99 HA ILE 15 HA ILE 15 -10.989 0.182 6.238 100 HB ILE 15 HB ILE 15 -11.547 1.647 3.653 101 1HG1 ILE 15 2HG1 ILE 15 -9.250 -0.123 4.503 102 1HG2 ILE 15 1HG2 ILE 15 -9.223 2.271 5.382 103 2HG2 ILE 15 2HG2 ILE 15 -10.198 3.331 4.365 104 3HG2 ILE 15 3HG2 ILE 15 -10.813 2.800 5.931 105 1HD1 ILE 15 1HD1 ILE 15 -9.225 2.121 2.579 106 2HD1 ILE 15 2HD1 ILE 15 -7.919 1.434 3.545 107 3HD1 ILE 15 3HD1 ILE 15 -8.460 0.610 2.082 108 H ALA 16 H ALA 16 -13.409 1.811 4.188 109 HA ALA 16 HA ALA 16 -15.176 3.155 4.649 110 1HB ALA 16 1HB ALA 16 -16.715 2.260 5.993 111 2HB ALA 16 2HB ALA 16 -15.535 0.979 6.286 112 3HB ALA 16 3HB ALA 16 -15.656 2.339 7.402 113 H ASP 17 H ASP 17 -12.383 3.797 5.533 114 HA ASP 17 HA ASP 17 -12.992 5.847 7.544 115 1HB ASP 17 2HB ASP 17 -10.574 4.315 6.881 116 2HB ASP 17 1HB ASP 17 -10.287 6.040 7.080 117 H ARG 18 H ARG 18 -12.245 8.006 7.143 118 HA ARG 18 HA ARG 18 -12.662 8.844 4.420 119 1HB ARG 18 2HB ARG 18 -13.308 10.077 6.620 120 2HB ARG 18 1HB ARG 18 -11.636 10.619 6.619 121 1HG ARG 18 2HG ARG 18 -11.924 11.742 4.538 122 2HG ARG 18 1HG ARG 18 -13.528 11.037 4.323 123 1HD ARG 18 2HD ARG 18 -13.441 12.346 6.848 124 2HD ARG 18 1HD ARG 18 -12.826 13.455 5.622 125 HE ARG 18 HE ARG 18 -14.915 13.215 4.442 126 1HH1 ARG 18 2HH1 ARG 18 -14.863 11.898 7.702 127 2HH1 ARG 18 1HH1 ARG 18 -16.589 11.975 7.891 128 1HH2 ARG 18 2HH2 ARG 18 -17.182 13.313 4.698 129 2HH2 ARG 18 1HH2 ARG 18 -17.903 12.777 6.189 130 H PHE 19 H PHE 19 -9.997 8.593 6.688 131 HA PHE 19 HA PHE 19 -8.078 9.542 4.700 132 1HB PHE 19 2HB PHE 19 -7.894 8.842 7.626 133 2HB PHE 19 1HB PHE 19 -6.446 9.035 6.648 134 HD1 PHE 19 1HD PHE 19 -5.924 10.781 8.399 135 HD2 PHE 19 2HD PHE 19 -9.134 11.164 5.635 136 HE1 PHE 19 1HE PHE 19 -5.981 13.204 8.813 137 HE2 PHE 19 2HE PHE 19 -9.197 13.587 6.037 138 HZ PHE 19 HZ PHE 19 -7.620 14.611 7.628 139 H LEU 20 H LEU 20 -7.353 8.096 3.271 140 HA LEU 20 HA LEU 20 -6.303 5.605 4.229 141 1HB LEU 20 2HB LEU 20 -7.591 4.094 3.011 142 2HB LEU 20 1HB LEU 20 -8.750 5.177 3.735 143 HG LEU 20 HG LEU 20 -9.679 4.959 1.680 144 1HD1 LEU 20 1HD1 LEU 20 -8.364 7.381 1.963 145 2HD1 LEU 20 2HD1 LEU 20 -8.032 6.874 0.303 146 3HD1 LEU 20 3HD1 LEU 20 -9.699 7.009 0.868 147 1HD2 LEU 20 1HD2 LEU 20 -8.209 3.380 0.747 148 2HD2 LEU 20 2HD2 LEU 20 -8.341 4.693 -0.425 149 3HD2 LEU 20 3HD2 LEU 20 -6.911 4.567 0.599 150 H LEU 21 H LEU 21 -5.246 4.368 2.361 151 HA LEU 21 HA LEU 21 -4.128 6.312 0.450 152 1HB LEU 21 2HB LEU 21 -2.740 5.500 2.575 153 2HB LEU 21 1HB LEU 21 -2.392 4.152 1.507 154 HG LEU 21 HG LEU 21 -2.019 6.626 0.098 155 1HD1 LEU 21 1HD1 LEU 21 -0.091 7.450 1.381 156 2HD1 LEU 21 2HD1 LEU 21 -1.621 7.633 2.245 157 3HD1 LEU 21 3HD1 LEU 21 -0.511 6.334 2.684 158 1HD2 LEU 21 1HD2 LEU 21 -0.762 5.033 -0.852 159 2HD2 LEU 21 2HD2 LEU 21 0.433 5.476 0.369 160 3HD2 LEU 21 3HD2 LEU 21 -0.640 4.101 0.639 161 H TYR 22 H TYR 22 -3.283 5.444 -1.462 162 HA TYR 22 HA TYR 22 -4.233 2.743 -2.134 163 1HB TYR 22 2HB TYR 22 -3.972 4.936 -4.176 164 2HB TYR 22 1HB TYR 22 -4.910 3.455 -4.272 165 HD1 TYR 22 1HD TYR 22 -7.151 3.369 -3.521 166 HD2 TYR 22 2HD TYR 22 -4.810 6.847 -2.756 167 HE1 TYR 22 1HE TYR 22 -9.181 4.600 -2.874 168 HE2 TYR 22 2HE TYR 22 -6.828 8.075 -2.118 169 HH TYR 22 HH TYR 22 -8.999 7.955 -1.695 170 H ALA 23 H ALA 23 -2.524 1.453 -2.402 171 HA ALA 23 HA ALA 23 -0.201 2.449 -3.870 172 1HB ALA 23 1HB ALA 23 0.213 2.901 -1.465 173 2HB ALA 23 2HB ALA 23 0.081 1.170 -1.153 174 3HB ALA 23 3HB ALA 23 1.377 1.785 -2.180 175 H MET 24 H MET 24 0.606 1.013 -5.202 176 HA MET 24 HA MET 24 1.005 -0.910 -6.330 177 1HB MET 24 2HB MET 24 0.842 -1.922 -3.511 178 2HB MET 24 1HB MET 24 1.003 -3.059 -4.842 179 1HG MET 24 2HG MET 24 2.936 -1.120 -5.326 180 2HG MET 24 1HG MET 24 2.997 -1.396 -3.587 181 1HE MET 24 1HE MET 24 3.474 -5.127 -3.258 182 2HE MET 24 2HE MET 24 4.525 -3.840 -2.666 183 3HE MET 24 3HE MET 24 2.773 -3.640 -2.619 184 H ASP 25 H ASP 25 -1.607 0.084 -6.389 185 HA ASP 25 HA ASP 25 -3.718 -0.426 -7.029 186 1HB ASP 25 2HB ASP 25 -2.115 -2.676 -7.999 187 2HB ASP 25 1HB ASP 25 -3.809 -3.084 -7.747 188 H SER 26 H SER 26 -2.816 -0.905 -4.267 189 HA SER 26 HA SER 26 -5.146 -2.470 -3.449 190 1HB SER 26 2HB SER 26 -2.938 -2.669 -1.537 191 2HB SER 26 1HB SER 26 -3.989 -3.935 -2.171 192 HG SER 26 HG SER 26 -2.252 -3.009 -4.051 193 H TYR 27 H TYR 27 -6.133 -1.713 -1.551 194 HA TYR 27 HA TYR 27 -5.412 1.058 -0.982 195 1HB TYR 27 2HB TYR 27 -7.950 -0.425 -0.270 196 2HB TYR 27 1HB TYR 27 -7.677 1.311 -0.135 197 HD1 TYR 27 1HD TYR 27 -6.097 1.383 -2.863 198 HD2 TYR 27 2HD TYR 27 -9.908 -0.118 -1.705 199 HE1 TYR 27 1HE TYR 27 -6.904 1.677 -5.163 200 HE2 TYR 27 2HE TYR 27 -10.726 0.175 -4.009 201 HH TYR 27 HH TYR 27 -9.372 0.251 -6.458 202 H TRP 28 H TRP 28 -5.259 1.841 1.118 203 HA TRP 28 HA TRP 28 -4.773 -0.122 3.252 204 1HB TRP 28 2HB TRP 28 -2.834 2.077 2.473 205 2HB TRP 28 1HB TRP 28 -2.615 0.911 3.764 206 HD1 TRP 28 HD TRP 28 -2.846 0.927 -0.116 207 HE1 TRP 28 1HE TRP 28 -1.292 -0.924 -1.003 208 HE3 TRP 28 3HE TRP 28 -1.317 -1.040 4.345 209 HZ2 TRP 28 2HZ TRP 28 0.369 -2.948 0.059 210 HZ3 TRP 28 3HZ TRP 28 0.258 -2.928 4.325 211 HH2 TRP 28 HH TRP 28 1.091 -3.856 2.228 212 H HIS 29 H HIS 29 -4.112 1.174 5.285 213 HA HIS 29 HA HIS 29 -5.783 3.586 5.539 214 1HB HIS 29 2HB HIS 29 -4.633 1.662 7.544 215 2HB HIS 29 1HB HIS 29 -4.967 3.320 8.025 216 HD2 HIS 29 2HD HIS 29 -7.777 4.043 7.639 217 HE1 HIS 29 1HE HIS 29 -8.941 0.004 8.178 218 HE2 HIS 29 2HE HIS 29 -9.679 2.436 8.380 219 H SER 30 H SER 30 -4.627 5.388 6.809 220 HA SER 30 HA SER 30 -2.251 6.052 5.454 221 1HB SER 30 2HB SER 30 -2.519 7.514 7.924 222 2HB SER 30 1HB SER 30 -2.731 8.073 6.270 223 HG SER 30 HG SER 30 -4.592 7.668 8.106 224 H ARG 31 H ARG 31 -2.835 4.823 8.725 225 HA ARG 31 HA ARG 31 -0.001 4.718 9.314 226 1HB ARG 31 2HB ARG 31 -1.887 5.154 11.004 227 2HB ARG 31 1HB ARG 31 -2.174 3.419 10.937 228 1HG ARG 31 2HG ARG 31 -0.780 3.615 12.759 229 2HG ARG 31 1HG ARG 31 0.359 3.230 11.466 230 1HD ARG 31 2HD ARG 31 1.040 5.108 13.006 231 2HD ARG 31 1HD ARG 31 1.060 5.482 11.284 232 HE ARG 31 HE ARG 31 -0.749 6.917 11.576 233 1HH1 ARG 31 2HH1 ARG 31 0.070 5.289 14.581 234 2HH1 ARG 31 1HH1 ARG 31 -0.933 6.336 15.549 235 1HH2 ARG 31 2HH2 ARG 31 -2.080 8.236 12.833 236 2HH2 ARG 31 1HH2 ARG 31 -2.192 7.988 14.550 237 H CYS 32 H CYS 32 -2.352 2.637 7.913 238 HA CYS 32 HA CYS 32 -1.000 0.184 8.552 239 1HB CYS 32 2HB CYS 32 -3.240 0.888 6.666 240 2HB CYS 32 1HB CYS 32 -2.542 -0.726 6.718 241 H LEU 33 H LEU 33 -0.784 2.609 6.107 242 HA LEU 33 HA LEU 33 0.929 0.950 4.432 243 1HB LEU 33 2HB LEU 33 -0.693 2.864 3.642 244 2HB LEU 33 1HB LEU 33 0.648 3.907 4.073 245 HG LEU 33 HG LEU 33 0.319 2.909 1.615 246 1HD1 LEU 33 1HD1 LEU 33 2.862 3.114 1.414 247 2HD1 LEU 33 2HD1 LEU 33 1.953 4.525 1.966 248 3HD1 LEU 33 3HD1 LEU 33 2.824 3.524 3.130 249 1HD2 LEU 33 1HD2 LEU 33 2.228 0.948 2.868 250 2HD2 LEU 33 2HD2 LEU 33 0.550 0.567 2.487 251 3HD2 LEU 33 3HD2 LEU 33 1.672 0.997 1.197 252 H LYS 34 H LYS 34 2.519 0.464 5.883 253 HA LYS 34 HA LYS 34 4.328 2.669 6.620 254 1HB LYS 34 2HB LYS 34 4.635 1.768 8.795 255 2HB LYS 34 1HB LYS 34 2.896 1.794 8.535 256 1HG LYS 34 2HG LYS 34 4.100 -0.713 7.699 257 2HG LYS 34 1HG LYS 34 4.395 -0.352 9.401 258 1HD LYS 34 2HD LYS 34 2.134 -0.349 9.923 259 2HD LYS 34 1HD LYS 34 1.648 -0.055 8.253 260 1HE LYS 34 2HE LYS 34 2.983 -2.454 8.102 261 2HE LYS 34 1HE LYS 34 2.141 -2.568 9.647 262 1HZ LYS 34 1HZ LYS 34 0.680 -1.644 7.272 263 2HZ LYS 34 2HZ LYS 34 0.096 -2.457 8.641 264 3HZ LYS 34 3HZ LYS 34 0.980 -3.301 7.458 265 H CYS 35 H CYS 35 6.503 1.765 7.299 266 HA CYS 35 HA CYS 35 7.619 0.382 5.151 267 1HB CYS 35 2HB CYS 35 8.893 1.881 6.646 268 2HB CYS 35 1HB CYS 35 8.753 0.695 7.942 269 H SER 36 H SER 36 8.364 -1.706 4.916 270 HA SER 36 HA SER 36 6.891 -3.700 6.417 271 1HB SER 36 2HB SER 36 8.901 -4.194 4.214 272 2HB SER 36 1HB SER 36 7.591 -5.251 4.744 273 HG SER 36 HG SER 36 7.330 -2.724 3.458 274 H SER 37 H SER 37 9.820 -2.114 6.706 275 HA SER 37 HA SER 37 11.016 -4.377 8.150 276 1HB SER 37 2HB SER 37 12.245 -2.000 6.769 277 2HB SER 37 1HB SER 37 13.153 -2.985 7.917 278 HG SER 37 HG SER 37 13.082 -4.671 6.579 279 H CYS 38 H CYS 38 10.391 -0.875 8.380 280 HA CYS 38 HA CYS 38 11.152 -0.984 11.208 281 1HB CYS 38 2HB CYS 38 10.395 1.474 9.639 282 2HB CYS 38 1HB CYS 38 11.279 1.391 11.159 283 H GLN 39 H GLN 39 8.367 -0.924 9.257 284 HA GLN 39 HA GLN 39 6.139 -0.683 9.646 285 1HB GLN 39 2HB GLN 39 6.807 -0.645 12.598 286 2HB GLN 39 1HB GLN 39 5.219 -0.899 11.884 287 1HG GLN 39 2HG GLN 39 7.595 -2.742 11.730 288 2HG GLN 39 1HG GLN 39 6.106 -2.998 12.636 289 1HE2 GLN 39 1HE2 GLN 39 7.576 -4.321 10.283 290 2HE2 GLN 39 2HE2 GLN 39 6.300 -4.625 9.147 291 H ALA 40 H ALA 40 8.179 1.465 9.536 292 HA ALA 40 HA ALA 40 7.264 3.649 11.086 293 1HB ALA 40 1HB ALA 40 9.020 3.643 8.628 294 2HB ALA 40 2HB ALA 40 8.815 4.974 9.767 295 3HB ALA 40 3HB ALA 40 9.587 3.478 10.291 296 H GLN 41 H GLN 41 5.627 4.803 10.742 297 HA GLN 41 HA GLN 41 3.675 4.489 8.847 298 1HB GLN 41 2HB GLN 41 2.821 5.778 10.480 299 2HB GLN 41 1HB GLN 41 4.382 6.475 10.872 300 1HG GLN 41 2HG GLN 41 3.918 7.805 8.624 301 2HG GLN 41 1HG GLN 41 2.249 7.463 9.080 302 1HE2 GLN 41 1HE2 GLN 41 5.200 8.322 10.879 303 2HE2 GLN 41 2HE2 GLN 41 4.481 9.650 11.729 304 H LEU 42 H LEU 42 3.709 4.703 6.725 305 HA LEU 42 HA LEU 42 5.586 6.620 5.530 306 1HB LEU 42 2HB LEU 42 4.332 4.079 4.516 307 2HB LEU 42 1HB LEU 42 5.127 5.209 3.441 308 HG LEU 42 HG LEU 42 6.441 3.778 5.753 309 1HD1 LEU 42 1HD1 LEU 42 6.953 3.351 2.826 310 2HD1 LEU 42 2HD1 LEU 42 7.468 2.360 4.190 311 3HD1 LEU 42 3HD1 LEU 42 5.767 2.407 3.725 312 1HD2 LEU 42 1HD2 LEU 42 7.677 5.720 5.544 313 2HD2 LEU 42 2HD2 LEU 42 8.519 4.628 4.442 314 3HD2 LEU 42 3HD2 LEU 42 7.399 5.836 3.805 315 H GLY 43 H GLY 43 2.240 5.493 5.382 316 1HA GLY 43 1HA GLY 43 1.586 7.433 3.345 317 2HA GLY 43 2HA GLY 43 0.477 6.310 4.111 318 H ASP 44 H ASP 44 1.180 7.131 6.800 319 HA ASP 44 HA ASP 44 -0.737 9.217 7.037 320 1HB ASP 44 2HB ASP 44 -0.073 7.203 8.639 321 2HB ASP 44 1HB ASP 44 0.953 8.436 9.364 322 H ILE 45 H ILE 45 2.508 9.393 6.343 323 HA ILE 45 HA ILE 45 2.857 11.951 7.730 324 HB ILE 45 HB ILE 45 5.172 11.793 6.457 325 1HG1 ILE 45 2HG1 ILE 45 4.593 8.873 6.920 326 1HG2 ILE 45 1HG2 ILE 45 4.260 10.601 9.023 327 2HG2 ILE 45 2HG2 ILE 45 5.928 10.344 8.509 328 3HG2 ILE 45 3HG2 ILE 45 5.314 11.983 8.729 329 1HD1 ILE 45 1HD1 ILE 45 6.963 10.290 6.375 330 2HD1 ILE 45 2HD1 ILE 45 6.725 8.543 6.448 331 3HD1 ILE 45 3HD1 ILE 45 6.539 9.396 4.915 332 H GLY 46 H GLY 46 1.830 10.698 4.782 333 1HA GLY 46 1HA GLY 46 0.807 12.000 3.135 334 2HA GLY 46 2HA GLY 46 1.700 13.396 3.706 335 H THR 47 H THR 47 4.207 11.633 3.560 336 HA THR 47 HA THR 47 4.880 12.422 0.871 337 HB THR 47 HB THR 47 7.030 10.993 1.982 338 HG1 THR 47 1HG THR 47 6.251 12.824 3.956 339 1HG2 THR 47 1HG2 THR 47 7.597 12.906 0.831 340 2HG2 THR 47 2HG2 THR 47 7.758 13.476 2.494 341 3HG2 THR 47 3HG2 THR 47 6.306 13.857 1.568 342 H SER 48 H SER 48 6.367 10.779 -0.383 343 HA SER 48 HA SER 48 4.722 8.426 -0.793 344 1HB SER 48 2HB SER 48 7.008 8.583 -2.541 345 2HB SER 48 1HB SER 48 5.289 8.650 -2.934 346 HG SER 48 HG SER 48 6.930 10.589 -3.195 347 H SER 49 H SER 49 5.666 6.315 -1.116 348 HA SER 49 HA SER 49 7.880 5.821 0.742 349 1HB SER 49 2HB SER 49 6.950 3.465 0.736 350 2HB SER 49 1HB SER 49 5.859 4.685 1.395 351 HG SER 49 HG SER 49 4.642 3.518 -0.001 352 H TYR 50 H TYR 50 9.119 3.735 0.122 353 HA TYR 50 HA TYR 50 9.762 3.886 -2.747 354 1HB TYR 50 2HB TYR 50 11.421 3.749 -0.324 355 2HB TYR 50 1HB TYR 50 11.898 2.617 -1.586 356 HD1 TYR 50 1HD TYR 50 12.083 5.999 -0.449 357 HD2 TYR 50 2HD TYR 50 12.278 3.564 -3.930 358 HE1 TYR 50 1HE TYR 50 13.265 7.799 -1.635 359 HE2 TYR 50 2HE TYR 50 13.461 5.354 -5.123 360 HH TYR 50 HH TYR 50 14.711 8.129 -3.540 361 H THR 51 H THR 51 8.971 2.225 -3.839 362 HA THR 51 HA THR 51 8.704 -0.351 -2.437 363 HB THR 51 HB THR 51 7.204 0.279 -4.946 364 HG1 THR 51 1HG THR 51 7.027 1.716 -2.710 365 1HG2 THR 51 1HG2 THR 51 5.623 -1.292 -4.091 366 2HG2 THR 51 2HG2 THR 51 6.380 -1.280 -2.497 367 3HG2 THR 51 3HG2 THR 51 7.223 -2.002 -3.869 368 H LYS 52 H LYS 52 10.162 -1.777 -2.982 369 HA LYS 52 HA LYS 52 10.781 -2.222 -5.790 370 1HB LYS 52 2HB LYS 52 12.551 -0.755 -4.297 371 2HB LYS 52 1HB LYS 52 13.160 -2.389 -4.067 372 1HG LYS 52 2HG LYS 52 14.326 -1.640 -5.916 373 2HG LYS 52 1HG LYS 52 13.008 -2.573 -6.628 374 1HD LYS 52 2HD LYS 52 11.739 -0.470 -6.932 375 2HD LYS 52 1HD LYS 52 13.134 0.425 -6.326 376 1HE LYS 52 2HE LYS 52 14.488 -0.458 -8.164 377 2HE LYS 52 1HE LYS 52 13.085 -1.336 -8.771 378 1HZ LYS 52 1HZ LYS 52 11.952 0.780 -9.093 379 2HZ LYS 52 2HZ LYS 52 13.405 0.729 -9.968 380 3HZ LYS 52 3HZ LYS 52 13.313 1.618 -8.524 381 H SER 53 H SER 53 10.959 -4.355 -6.235 382 HA SER 53 HA SER 53 10.959 -6.628 -5.956 383 1HB SER 53 2HB SER 53 11.947 -5.982 -3.167 384 2HB SER 53 1HB SER 53 11.867 -7.603 -3.866 385 HG SER 53 HG SER 53 13.663 -7.223 -4.893 386 H GLY 54 H GLY 54 8.807 -4.648 -5.009 387 1HA GLY 54 1HA GLY 54 6.612 -4.952 -4.279 388 2HA GLY 54 2HA GLY 54 7.001 -6.620 -3.871 389 H MET 55 H MET 55 9.456 -4.986 -2.588 390 HA MET 55 HA MET 55 8.345 -5.073 0.076 391 1HB MET 55 2HB MET 55 11.076 -3.998 -0.554 392 2HB MET 55 1HB MET 55 10.524 -4.829 0.892 393 1HG MET 55 2HG MET 55 10.220 -6.651 -1.214 394 2HG MET 55 1HG MET 55 11.790 -5.880 -1.446 395 1HE MET 55 1HE MET 55 14.005 -7.194 -0.128 396 2HE MET 55 2HE MET 55 13.341 -8.822 0.016 397 3HE MET 55 3HE MET 55 12.935 -7.823 -1.382 398 H ILE 56 H ILE 56 7.309 -3.472 0.880 399 HA ILE 56 HA ILE 56 7.548 -0.773 -0.182 400 HB ILE 56 HB ILE 56 5.753 -1.845 2.011 401 1HG1 ILE 56 2HG1 ILE 56 4.729 -0.955 -0.642 402 1HG2 ILE 56 1HG2 ILE 56 4.507 0.251 1.742 403 2HG2 ILE 56 2HG2 ILE 56 6.164 0.540 2.276 404 3HG2 ILE 56 3HG2 ILE 56 5.718 0.818 0.591 405 1HD1 ILE 56 1HD1 ILE 56 3.971 -3.255 1.141 406 2HD1 ILE 56 2HD1 ILE 56 3.153 -1.693 1.059 407 3HD1 ILE 56 3HD1 ILE 56 3.149 -2.765 -0.343 408 H LEU 57 H LEU 57 9.393 0.138 0.480 409 HA LEU 57 HA LEU 57 10.157 -0.135 3.305 410 1HB LEU 57 2HB LEU 57 11.874 0.604 0.938 411 2HB LEU 57 1HB LEU 57 12.431 0.274 2.565 412 HG LEU 57 HG LEU 57 10.926 -1.884 1.203 413 1HD1 LEU 57 1HD1 LEU 57 13.826 -1.601 0.580 414 2HD1 LEU 57 2HD1 LEU 57 12.575 -2.509 -0.266 415 3HD1 LEU 57 3HD1 LEU 57 12.637 -0.752 -0.410 416 1HD2 LEU 57 1HD2 LEU 57 11.628 -2.649 3.222 417 2HD2 LEU 57 2HD2 LEU 57 13.076 -3.033 2.287 418 3HD2 LEU 57 3HD2 LEU 57 13.023 -1.569 3.269 419 H CYS 58 H CYS 58 11.397 1.692 4.199 420 HA CYS 58 HA CYS 58 10.105 4.210 3.634 421 1HB CYS 58 2HB CYS 58 11.447 5.030 5.558 422 2HB CYS 58 1HB CYS 58 10.468 3.628 5.968 423 H ARG 59 H ARG 59 11.610 6.176 3.454 424 HA ARG 59 HA ARG 59 13.039 5.938 1.068 425 1HB ARG 59 2HB ARG 59 11.999 8.038 2.097 426 2HB ARG 59 1HB ARG 59 13.482 8.176 3.034 427 1HG ARG 59 2HG ARG 59 14.795 8.384 1.035 428 2HG ARG 59 1HG ARG 59 13.383 8.063 0.026 429 1HD ARG 59 2HD ARG 59 14.109 10.509 1.569 430 2HD ARG 59 1HD ARG 59 13.518 10.360 -0.084 431 HE ARG 59 HE ARG 59 11.915 10.365 2.366 432 1HH1 ARG 59 2HH1 ARG 59 12.064 10.146 -1.126 433 2HH1 ARG 59 1HH1 ARG 59 10.369 10.463 -1.357 434 1HH2 ARG 59 2HH2 ARG 59 9.682 10.800 2.081 435 2HH2 ARG 59 1HH2 ARG 59 9.022 10.859 0.468 436 H ASN 60 H ASN 60 14.180 5.973 4.407 437 HA ASN 60 HA ASN 60 16.948 6.073 3.712 438 1HB ASN 60 2HB ASN 60 16.226 6.831 5.899 439 2HB ASN 60 1HB ASN 60 15.562 5.244 6.272 440 1HD2 ASN 60 1HD2 ASN 60 16.757 4.082 7.556 441 2HD2 ASN 60 2HD2 ASN 60 18.483 4.144 7.695 442 H ASP 61 H ASP 61 14.701 3.471 4.568 443 HA ASP 61 HA ASP 61 16.545 1.369 4.687 444 1HB ASP 61 2HB ASP 61 13.634 1.622 4.466 445 2HB ASP 61 1HB ASP 61 14.281 0.146 3.754 446 H TYR 62 H TYR 62 14.768 2.703 1.953 447 HA TYR 62 HA TYR 62 15.344 0.757 0.074 448 1HB TYR 62 2HB TYR 62 13.783 2.610 -0.337 449 2HB TYR 62 1HB TYR 62 15.136 3.739 -0.401 450 HD1 TYR 62 1HD TYR 62 16.416 3.999 -2.377 451 HD2 TYR 62 2HD TYR 62 13.577 0.845 -2.087 452 HE1 TYR 62 1HE TYR 62 16.693 3.546 -4.775 453 HE2 TYR 62 2HE TYR 62 13.841 0.384 -4.492 454 HH TYR 62 HH TYR 62 14.774 2.186 -6.626 455 H ILE 63 H ILE 63 17.302 3.509 1.094 456 HA ILE 63 HA ILE 63 19.333 3.108 -0.862 457 HB ILE 63 HB ILE 63 19.721 4.562 1.746 458 1HG1 ILE 63 2HG1 ILE 63 17.606 5.336 0.765 459 1HG2 ILE 63 1HG2 ILE 63 20.792 5.546 -0.829 460 2HG2 ILE 63 2HG2 ILE 63 21.513 5.555 0.780 461 3HG2 ILE 63 3HG2 ILE 63 21.508 4.073 -0.176 462 1HD1 ILE 63 1HD1 ILE 63 17.352 6.239 -1.367 463 2HD1 ILE 63 2HD1 ILE 63 19.092 6.274 -1.657 464 3HD1 ILE 63 3HD1 ILE 63 18.236 4.733 -1.628 465 H ARG 64 H ARG 64 18.616 1.658 2.158 466 HA ARG 64 HA ARG 64 21.303 0.621 2.557 467 1HB ARG 64 2HB ARG 64 18.824 -0.283 4.008 468 2HB ARG 64 1HB ARG 64 20.493 -0.351 4.554 469 1HG ARG 64 2HG ARG 64 20.401 2.218 4.437 470 2HG ARG 64 1HG ARG 64 18.650 1.996 4.414 471 1HD ARG 64 2HD ARG 64 18.766 1.943 6.641 472 2HD ARG 64 1HD ARG 64 19.484 0.342 6.462 473 HE ARG 64 HE ARG 64 21.226 2.710 6.440 474 1HH1 ARG 64 2HH1 ARG 64 20.073 -0.172 8.085 475 2HH1 ARG 64 1HH1 ARG 64 21.444 -0.256 9.151 476 1HH2 ARG 64 2HH2 ARG 64 23.029 2.583 7.825 477 2HH2 ARG 64 1HH2 ARG 64 23.127 1.300 8.997 478 H LEU 65 H LEU 65 18.113 -0.552 1.596 479 HA LEU 65 HA LEU 65 18.945 -3.258 1.336 480 1HB LEU 65 2HB LEU 65 16.514 -1.831 1.348 481 2HB LEU 65 1HB LEU 65 16.572 -2.695 -0.178 482 HG LEU 65 HG LEU 65 17.164 -4.760 1.267 483 1HD1 LEU 65 1HD1 LEU 65 17.172 -4.562 3.476 484 2HD1 LEU 65 2HD1 LEU 65 16.999 -2.817 3.280 485 3HD1 LEU 65 3HD1 LEU 65 15.566 -3.832 3.460 486 1HD2 LEU 65 1HD2 LEU 65 14.934 -4.024 0.083 487 2HD2 LEU 65 2HD2 LEU 65 14.979 -5.412 1.169 488 3HD2 LEU 65 3HD2 LEU 65 14.373 -3.862 1.746 489 H PHE 66 H PHE 66 18.342 -0.661 -1.026 490 HA PHE 66 HA PHE 66 19.491 -2.434 -3.086 491 1HB PHE 66 2HB PHE 66 17.482 -0.195 -3.427 492 2HB PHE 66 1HB PHE 66 18.160 -1.161 -4.735 493 HD1 PHE 66 1HD PHE 66 15.845 -1.138 -1.902 494 HD2 PHE 66 2HD PHE 66 17.468 -3.444 -5.089 495 HE1 PHE 66 1HE PHE 66 14.067 -2.808 -1.596 496 HE2 PHE 66 2HE PHE 66 15.692 -5.118 -4.786 497 HZ PHE 66 HZ PHE 66 13.989 -4.801 -3.037 498 H GLY 67 H GLY 67 19.271 0.914 -1.965 499 1HA GLY 67 1HA GLY 67 20.745 2.658 -2.122 500 2HA GLY 67 2HA GLY 67 21.994 1.434 -2.297 501 H ASN 68 H ASN 68 23.077 1.384 -4.115 502 HA ASN 68 HA ASN 68 23.728 1.682 -6.266 503 1HB ASN 68 2HB ASN 68 21.435 0.872 -6.899 504 2HB ASN 68 1HB ASN 68 20.912 2.554 -6.931 505 1HD2 ASN 68 1HD2 ASN 68 23.317 0.351 -8.294 506 2HD2 ASN 68 2HD2 ASN 68 23.422 1.138 -9.835 507 H SER 69 H SER 69 21.297 4.198 -5.657 508 HA SER 69 HA SER 69 23.346 6.212 -6.278 509 1HB SER 69 2HB SER 69 20.673 7.268 -5.955 510 2HB SER 69 1HB SER 69 21.734 7.341 -7.363 511 HG SER 69 HG SER 69 20.623 5.786 -8.248 512 H GLY 70 H GLY 70 24.258 7.151 -4.578 513 1HA GLY 70 1HA GLY 70 23.258 6.739 -1.934 514 2HA GLY 70 2HA GLY 70 24.656 7.709 -2.381 515 H ALA 71 H ALA 71 21.331 7.695 -1.587 516 HA ALA 71 HA ALA 71 20.774 10.374 -2.421 517 1HB ALA 71 1HB ALA 71 19.281 8.137 -1.454 518 2HB ALA 71 2HB ALA 71 18.872 9.564 -0.501 519 3HB ALA 71 3HB ALA 71 18.699 9.596 -2.256 520 H GLY 72 H GLY 72 21.105 12.202 -1.349 521 1HA GLY 72 1HA GLY 72 21.696 12.038 1.541 522 2HA GLY 72 2HA GLY 72 22.461 13.200 0.464 523 H GLY 73 H GLY 73 19.405 12.256 1.952 524 1HA GLY 73 1HA GLY 73 18.585 14.822 2.611 525 2HA GLY 73 2HA GLY 73 17.943 14.503 1.007 526 H SER 74 H SER 74 17.335 14.289 4.260 527 HA SER 74 HA SER 74 15.533 11.997 4.035 528 1HB SER 74 2HB SER 74 15.574 13.469 6.581 529 2HB SER 74 1HB SER 74 15.790 11.745 6.269 530 HG SER 74 HG SER 74 17.944 12.290 5.535 531 H GLY 75 H GLY 75 15.468 15.389 3.821 532 1HA GLY 75 1HA GLY 75 12.775 15.540 3.124 533 2HA GLY 75 2HA GLY 75 12.886 15.939 4.834 534 H GLY 76 H GLY 76 12.809 17.227 1.822 535 1HA GLY 76 1HA GLY 76 14.050 19.715 2.788 536 2HA GLY 76 2HA GLY 76 14.489 19.078 1.210 537 H HIS 77 H HIS 77 13.168 19.409 -0.508 538 HA HIS 77 HA HIS 77 10.460 20.359 -0.164 539 1HB HIS 77 2HB HIS 77 12.649 22.219 -0.602 540 2HB HIS 77 1HB HIS 77 11.482 22.281 -1.918 541 HD1 HIS 77 1HD HIS 77 11.596 24.760 -0.413 542 HD2 HIS 77 2HD HIS 77 9.257 21.584 0.895 543 HE1 HIS 77 1HE HIS 77 9.850 25.778 1.084 544 HE2 HIS 77 2HE HIS 77 8.612 23.811 2.054 545 H MET 78 H MET 78 12.656 21.052 -2.840 546 HA MET 78 HA MET 78 10.977 19.647 -4.701 547 1HB MET 78 2HB MET 78 12.122 21.629 -5.467 548 2HB MET 78 1HB MET 78 13.681 20.973 -4.991 549 1HG MET 78 2HG MET 78 13.400 20.860 -7.389 550 2HG MET 78 1HG MET 78 13.477 19.240 -6.697 551 1HE MET 78 1HE MET 78 12.667 20.162 -9.472 552 2HE MET 78 2HE MET 78 12.172 18.472 -9.392 553 3HE MET 78 3HE MET 78 11.026 19.702 -9.926 554 H GLY 79 H GLY 79 10.967 17.514 -4.803 555 1HA GLY 79 1HA GLY 79 12.107 15.481 -5.407 556 2HA GLY 79 2HA GLY 79 13.541 16.096 -4.595 557 H SER 80 H SER 80 11.018 16.927 -2.703 558 HA SER 80 HA SER 80 10.068 16.194 -0.788 559 1HB SER 80 2HB SER 80 10.681 13.376 -1.682 560 2HB SER 80 1HB SER 80 9.420 13.904 -0.565 561 HG SER 80 HG SER 80 8.839 15.259 -2.611 562 H GLY 81 H GLY 81 12.636 13.760 -1.278 563 1HA GLY 81 1HA GLY 81 13.584 14.086 1.433 564 2HA GLY 81 2HA GLY 81 14.317 13.089 0.182 565 H GLY 82 H GLY 82 14.543 15.108 -1.787 566 1HA GLY 82 1HA GLY 82 16.851 16.573 -0.771 567 2HA GLY 82 2HA GLY 82 16.338 16.464 -2.453 568 H ASP 83 H ASP 83 16.989 18.891 -1.751 569 HA ASP 83 HA ASP 83 14.426 20.258 -1.218 570 1HB ASP 83 2HB ASP 83 15.821 20.641 0.691 571 2HB ASP 83 1HB ASP 83 17.213 21.009 -0.320 572 H VAL 84 H VAL 84 17.555 20.409 -2.796 573 HA VAL 84 HA VAL 84 16.953 20.987 -5.311 574 HB VAL 84 HB VAL 84 15.786 23.103 -4.140 575 1HG1 VAL 84 1HG1 VAL 84 18.549 24.128 -4.780 576 2HG1 VAL 84 2HG1 VAL 84 17.160 25.093 -4.276 577 3HG1 VAL 84 3HG1 VAL 84 17.886 23.938 -3.158 578 1HG2 VAL 84 1HG2 VAL 84 16.982 22.629 -6.784 579 2HG2 VAL 84 2HG2 VAL 84 15.330 23.061 -6.341 580 3HG2 VAL 84 3HG2 VAL 84 16.576 24.307 -6.424 581 H MET 85 H MET 85 18.848 21.671 -2.564 582 HA MET 85 HA MET 85 21.290 21.204 -4.065 583 1HB MET 85 2HB MET 85 21.710 23.451 -3.993 584 2HB MET 85 1HB MET 85 20.588 23.720 -2.671 585 1HG MET 85 2HG MET 85 22.475 22.476 -1.300 586 2HG MET 85 1HG MET 85 23.481 23.090 -2.612 587 1HE MET 85 1HE MET 85 24.819 25.683 -1.553 588 2HE MET 85 2HE MET 85 24.463 25.337 0.138 589 3HE MET 85 3HE MET 85 24.814 24.017 -0.979 590 H VAL 86 H VAL 86 22.897 20.185 -2.763 591 HA VAL 86 HA VAL 86 21.766 18.561 -0.726 592 HB VAL 86 HB VAL 86 24.272 17.882 -0.403 593 1HG1 VAL 86 1HG1 VAL 86 22.250 16.852 -1.796 594 2HG1 VAL 86 2HG1 VAL 86 23.332 17.235 -3.136 595 3HG1 VAL 86 3HG1 VAL 86 23.877 16.172 -1.839 596 1HG2 VAL 86 1HG2 VAL 86 25.390 19.665 -1.491 597 2HG2 VAL 86 2HG2 VAL 86 25.541 18.268 -2.558 598 3HG2 VAL 86 3HG2 VAL 86 24.364 19.533 -2.920 599 H VAL 87 H VAL 87 21.052 20.248 0.724 600 HA VAL 87 HA VAL 87 23.077 21.705 2.212 601 HB VAL 87 HB VAL 87 20.105 21.668 2.751 602 1HG1 VAL 87 1HG1 VAL 87 21.967 22.675 4.329 603 2HG1 VAL 87 2HG1 VAL 87 21.860 24.025 3.198 604 3HG1 VAL 87 3HG1 VAL 87 20.425 23.496 4.079 605 1HG2 VAL 87 1HG2 VAL 87 20.638 22.259 0.372 606 2HG2 VAL 87 2HG2 VAL 87 19.825 23.530 1.287 607 3HG2 VAL 87 3HG2 VAL 87 21.559 23.631 0.988 608 H GLY 88 H GLY 88 20.504 19.347 2.925 609 1HA GLY 88 1HA GLY 88 21.140 19.072 5.668 610 2HA GLY 88 2HA GLY 88 20.189 17.943 4.715 611 H GLU 89 H GLU 89 21.873 16.986 2.896 612 HA GLU 89 HA GLU 89 24.247 16.042 4.343 613 1HB GLU 89 2HB GLU 89 22.739 14.156 2.563 614 2HB GLU 89 1HB GLU 89 23.883 13.792 3.848 615 1HG GLU 89 2HG GLU 89 22.046 14.820 5.386 616 2HG GLU 89 1HG GLU 89 20.985 14.467 4.023 617 HA PRO 90 HA PRO 90 25.631 17.709 0.394 618 1HB PRO 90 2HB PRO 90 28.257 17.888 1.085 619 2HB PRO 90 1HB PRO 90 27.046 19.079 1.570 620 1HG PRO 90 2HG PRO 90 28.194 16.799 3.130 621 2HG PRO 90 1HG PRO 90 27.852 18.458 3.658 622 1HD PRO 90 2HD PRO 90 26.210 16.380 4.223 623 2HD PRO 90 1HD PRO 90 25.610 18.032 3.969 624 H THR 91 H THR 91 25.015 15.398 -0.262 625 HA THR 91 HA THR 91 27.036 13.404 -0.330 626 HB THR 91 HB THR 91 25.256 12.792 -2.376 627 HG1 THR 91 1HG THR 91 23.753 14.299 -1.991 628 1HG2 THR 91 1HG2 THR 91 25.496 12.089 0.514 629 2HG2 THR 91 2HG2 THR 91 25.740 11.080 -0.910 630 3HG2 THR 91 3HG2 THR 91 24.107 11.503 -0.399 631 H LEU 92 H LEU 92 28.818 14.624 -1.209 632 HA LEU 92 HA LEU 92 28.784 15.680 -3.854 633 1HB LEU 92 2HB LEU 92 31.083 14.781 -2.110 634 2HB LEU 92 1HB LEU 92 31.268 15.630 -3.633 635 HG LEU 92 HG LEU 92 29.803 16.767 -1.255 636 1HD1 LEU 92 1HD1 LEU 92 31.760 18.057 -0.769 637 2HD1 LEU 92 2HD1 LEU 92 32.211 16.354 -0.796 638 3HD1 LEU 92 3HD1 LEU 92 32.605 17.391 -2.166 639 1HD2 LEU 92 1HD2 LEU 92 29.403 18.595 -2.494 640 2HD2 LEU 92 2HD2 LEU 92 30.968 18.515 -3.304 641 3HD2 LEU 92 3HD2 LEU 92 29.634 17.503 -3.859 642 H MET 93 H MET 93 29.625 12.603 -2.404 643 HA MET 93 HA MET 93 30.036 11.440 -5.071 644 1HB MET 93 2HB MET 93 31.465 11.010 -2.819 645 2HB MET 93 1HB MET 93 30.255 9.743 -2.650 646 1HG MET 93 2HG MET 93 31.508 8.485 -3.965 647 2HG MET 93 1HG MET 93 31.096 9.570 -5.291 648 1HE MET 93 1HE MET 93 33.183 11.417 -6.357 649 2HE MET 93 2HE MET 93 34.373 10.132 -6.563 650 3HE MET 93 3HE MET 93 32.654 9.779 -6.736 651 H GLY 94 H GLY 94 27.571 12.232 -4.902 652 1HA GLY 94 1HA GLY 94 25.945 9.961 -5.139 653 2HA GLY 94 2HA GLY 94 25.717 10.633 -3.529 654 H GLY 95 H GLY 95 23.580 11.253 -3.918 655 1HA GLY 95 1HA GLY 95 23.268 13.863 -4.987 656 2HA GLY 95 2HA GLY 95 22.639 12.673 -6.119 657 H GLU 96 H GLU 96 20.844 14.411 -5.210 658 HA GLU 96 HA GLU 96 19.572 13.378 -2.826 659 1HB GLU 96 2HB GLU 96 18.338 15.369 -4.703 660 2HB GLU 96 1HB GLU 96 18.086 15.188 -2.973 661 1HG GLU 96 2HG GLU 96 19.477 16.917 -2.784 662 2HG GLU 96 1HG GLU 96 20.750 15.737 -3.093 663 H PHE 97 H PHE 97 19.306 11.209 -3.702 664 HA PHE 97 HA PHE 97 17.385 10.786 -5.809 665 1HB PHE 97 2HB PHE 97 19.390 9.258 -4.849 666 2HB PHE 97 1HB PHE 97 18.043 8.575 -3.944 667 HD1 PHE 97 1HD PHE 97 19.036 9.490 -7.408 668 HD2 PHE 97 2HD PHE 97 16.757 6.927 -4.897 669 HE1 PHE 97 1HE PHE 97 18.409 8.138 -9.369 670 HE2 PHE 97 2HE PHE 97 16.133 5.562 -6.846 671 HZ PHE 97 HZ PHE 97 16.956 6.169 -9.087 672 H GLY 98 H GLY 98 15.959 12.315 -4.500 673 1HA GLY 98 1HA GLY 98 14.680 11.155 -2.190 674 2HA GLY 98 2HA GLY 98 14.356 12.736 -2.882 675 H ASP 99 H ASP 99 13.325 12.537 -5.178 676 HA ASP 99 HA ASP 99 11.047 10.709 -4.837 677 1HB ASP 99 2HB ASP 99 9.638 12.365 -5.480 678 2HB ASP 99 1HB ASP 99 10.957 13.392 -4.939 679 H GLU 100 H GLU 100 13.766 10.682 -6.408 680 HA GLU 100 HA GLU 100 13.203 10.488 -9.125 681 1HB GLU 100 2HB GLU 100 15.327 8.842 -7.785 682 2HB GLU 100 1HB GLU 100 15.355 9.592 -9.376 683 1HG GLU 100 2HG GLU 100 15.077 11.433 -7.099 684 2HG GLU 100 1HG GLU 100 16.615 10.579 -7.222 685 H ASP 101 H ASP 101 13.128 7.936 -6.628 686 HA ASP 101 HA ASP 101 11.977 6.165 -8.691 687 1HB ASP 101 2HB ASP 101 14.382 5.733 -7.772 688 2HB ASP 101 1HB ASP 101 13.535 5.076 -6.377 689 H GLU 102 H GLU 102 10.814 7.858 -6.332 690 HA GLU 102 HA GLU 102 9.359 5.659 -5.033 691 1HB GLU 102 2HB GLU 102 8.474 7.627 -3.578 692 2HB GLU 102 1HB GLU 102 10.100 7.013 -3.309 693 1HG GLU 102 2HG GLU 102 10.970 9.005 -3.712 694 2HG GLU 102 1HG GLU 102 10.164 9.089 -5.276 695 H ARG 103 H ARG 103 7.500 8.319 -4.630 696 HA ARG 103 HA ARG 103 5.544 9.074 -5.474 697 1HB ARG 103 2HB ARG 103 6.939 8.325 -8.036 698 2HB ARG 103 1HB ARG 103 5.335 9.047 -8.027 699 1HG ARG 103 2HG ARG 103 6.794 10.715 -6.388 700 2HG ARG 103 1HG ARG 103 7.941 10.274 -7.658 701 1HD ARG 103 2HD ARG 103 6.732 11.300 -9.296 702 2HD ARG 103 1HD ARG 103 5.191 11.023 -8.484 703 HE ARG 103 HE ARG 103 7.129 13.058 -7.587 704 1HH1 ARG 103 2HH1 ARG 103 3.865 12.119 -8.462 705 2HH1 ARG 103 1HH1 ARG 103 3.151 13.592 -7.862 706 1HH2 ARG 103 2HH2 ARG 103 6.212 15.006 -6.865 707 2HH2 ARG 103 1HH2 ARG 103 4.493 15.243 -6.977 708 H LEU 104 H LEU 104 5.893 6.190 -4.765 709 HA LEU 104 HA LEU 104 3.812 4.988 -6.436 710 1HB LEU 104 2HB LEU 104 6.151 3.967 -5.279 711 2HB LEU 104 1HB LEU 104 4.833 3.253 -4.371 712 HG LEU 104 HG LEU 104 4.270 3.108 -7.192 713 1HD1 LEU 104 1HD1 LEU 104 7.031 2.686 -6.463 714 2HD1 LEU 104 2HD1 LEU 104 6.297 1.210 -7.090 715 3HD1 LEU 104 3HD1 LEU 104 6.273 2.685 -8.056 716 1HD2 LEU 104 1HD2 LEU 104 3.280 1.747 -5.369 717 2HD2 LEU 104 2HD2 LEU 104 3.935 0.784 -6.697 718 3HD2 LEU 104 3HD2 LEU 104 4.835 0.933 -5.186 719 H ILE 105 H ILE 105 3.488 7.063 -4.256 720 HA ILE 105 HA ILE 105 1.493 5.564 -2.697 721 HB ILE 105 HB ILE 105 3.327 7.757 -1.856 722 1HG1 ILE 105 2HG1 ILE 105 2.156 5.272 -0.610 723 1HG2 ILE 105 1HG2 ILE 105 0.715 7.384 -0.414 724 2HG2 ILE 105 2HG2 ILE 105 1.918 8.660 -0.210 725 3HG2 ILE 105 3HG2 ILE 105 0.922 8.610 -1.664 726 1HD1 ILE 105 1HD1 ILE 105 3.050 5.677 1.431 727 2HD1 ILE 105 2HD1 ILE 105 4.287 6.765 0.801 728 3HD1 ILE 105 3HD1 ILE 105 2.625 7.330 0.981 729 H THR 106 H THR 106 -0.506 5.986 -3.291 730 HA THR 106 HA THR 106 -1.118 8.650 -4.383 731 HB THR 106 HB THR 106 -2.476 5.990 -4.872 732 HG1 THR 106 1HG THR 106 -1.327 7.857 -6.698 733 1HG2 THR 106 1HG2 THR 106 -4.371 7.015 -5.460 734 2HG2 THR 106 2HG2 THR 106 -3.493 8.160 -6.475 735 3HG2 THR 106 3HG2 THR 106 -3.722 8.498 -4.759 736 H ARG 107 H ARG 107 -1.869 9.847 -2.767 737 HA ARG 107 HA ARG 107 -3.573 8.519 -0.770 738 1HB ARG 107 2HB ARG 107 -1.319 9.149 0.038 739 2HB ARG 107 1HB ARG 107 -1.668 10.826 -0.354 740 1HG ARG 107 2HG ARG 107 -3.725 9.691 1.327 741 2HG ARG 107 1HG ARG 107 -2.125 9.552 2.062 742 1HD ARG 107 2HD ARG 107 -1.774 11.862 2.010 743 2HD ARG 107 1HD ARG 107 -3.058 12.112 0.826 744 HE ARG 107 HE ARG 107 -4.625 12.081 2.521 745 1HH1 ARG 107 2HH1 ARG 107 -1.472 11.206 3.787 746 2HH1 ARG 107 1HH1 ARG 107 -1.956 11.372 5.447 747 1HH2 ARG 107 2HH2 ARG 107 -5.253 12.311 4.686 748 2HH2 ARG 107 1HH2 ARG 107 -4.097 12.003 5.957 749 H LEU 108 H LEU 108 -5.572 9.062 -1.352 750 HA LEU 108 HA LEU 108 -6.254 11.903 -1.264 751 1HB LEU 108 2HB LEU 108 -6.991 9.956 -3.435 752 2HB LEU 108 1HB LEU 108 -7.989 11.357 -3.094 753 HG LEU 108 HG LEU 108 -5.063 11.606 -3.742 754 1HD1 LEU 108 1HD1 LEU 108 -5.420 11.211 -5.889 755 2HD1 LEU 108 2HD1 LEU 108 -7.039 10.647 -5.477 756 3HD1 LEU 108 3HD1 LEU 108 -6.778 12.334 -5.915 757 1HD2 LEU 108 1HD2 LEU 108 -6.654 13.438 -2.677 758 2HD2 LEU 108 2HD2 LEU 108 -5.435 13.847 -3.883 759 3HD2 LEU 108 3HD2 LEU 108 -7.119 13.652 -4.365 760 H GLU 109 H GLU 109 -7.446 12.062 0.429 761 HA GLU 109 HA GLU 109 -8.837 9.938 1.635 762 1HB GLU 109 2HB GLU 109 -10.002 12.191 2.671 763 2HB GLU 109 1HB GLU 109 -8.521 11.448 3.258 764 1HG GLU 109 2HG GLU 109 -8.270 13.402 1.053 765 2HG GLU 109 1HG GLU 109 -8.686 14.022 2.652 766 H ASN 110 H ASN 110 -11.189 9.957 2.109 767 HA ASN 110 HA ASN 110 -12.730 9.803 -0.218 768 1HB ASN 110 2HB ASN 110 -13.079 9.010 2.356 769 2HB ASN 110 1HB ASN 110 -14.207 10.360 2.279 770 1HD2 ASN 110 1HD2 ASN 110 -16.173 9.836 1.721 771 2HD2 ASN 110 2HD2 ASN 110 -16.634 8.500 0.714 772 H THR 111 H THR 111 -12.292 12.389 2.089 773 HA THR 111 HA THR 111 -13.691 14.211 0.252 774 HB THR 111 HB THR 111 -13.197 14.912 3.131 775 HG1 THR 111 1HG THR 111 -15.425 13.455 2.075 776 1HG2 THR 111 1HG2 THR 111 -13.981 16.520 1.237 777 2HG2 THR 111 2HG2 THR 111 -14.791 16.568 2.803 778 3HG2 THR 111 3HG2 THR 111 -15.540 15.722 1.449 779 H GLN 112 H GLN 112 -11.825 14.501 -0.978 780 HA GLN 112 HA GLN 112 -9.407 15.462 0.345 781 1HB GLN 112 2HB GLN 112 -8.758 15.503 -2.273 782 2HB GLN 112 1HB GLN 112 -8.617 14.075 -1.261 783 1HG GLN 112 2HG GLN 112 -10.295 13.001 -2.301 784 2HG GLN 112 1HG GLN 112 -11.236 14.472 -2.539 785 1HE2 GLN 112 1HE2 GLN 112 -10.069 12.119 -4.234 786 2HE2 GLN 112 2HE2 GLN 112 -9.510 12.939 -5.658 787 H PHE 113 H PHE 113 -11.468 17.200 0.628 788 HA PHE 113 HA PHE 113 -11.255 19.286 -1.387 789 1HB PHE 113 2HB PHE 113 -12.961 18.793 1.021 790 2HB PHE 113 1HB PHE 113 -12.766 20.450 0.464 791 HD1 PHE 113 1HD PHE 113 -14.716 21.098 -0.559 792 HD2 PHE 113 2HD PHE 113 -13.139 17.234 -1.389 793 HE1 PHE 113 1HE PHE 113 -16.486 20.737 -2.228 794 HE2 PHE 113 2HE PHE 113 -14.903 16.868 -3.064 795 HZ PHE 113 HZ PHE 113 -16.578 18.624 -3.488 796 H ASP 114 H ASP 114 -11.323 21.601 0.060 797 HA ASP 114 HA ASP 114 -8.644 22.055 0.785 798 1HB ASP 114 2HB ASP 114 -9.886 23.977 0.190 799 2HB ASP 114 1HB ASP 114 -11.187 23.587 1.310 800 H ALA 115 H ALA 115 -11.528 21.529 2.750 801 HA ALA 115 HA ALA 115 -9.928 21.238 5.172 802 1HB ALA 115 1HB ALA 115 -12.820 21.445 4.551 803 2HB ALA 115 2HB ALA 115 -12.360 20.533 5.990 804 3HB ALA 115 3HB ALA 115 -11.876 22.221 5.821 805 H ALA 116 H ALA 116 -8.739 19.456 4.092 806 HA ALA 116 HA ALA 116 -10.090 17.025 3.470 807 1HB ALA 116 1HB ALA 116 -8.163 17.244 2.243 808 2HB ALA 116 2HB ALA 116 -7.241 17.894 3.598 809 3HB ALA 116 3HB ALA 116 -7.612 16.171 3.532 810 H ASN 117 H ASN 117 -11.221 16.988 5.591 811 HA ASN 117 HA ASN 117 -10.137 14.932 7.223 812 1HB ASN 117 2HB ASN 117 -8.975 17.067 8.092 813 2HB ASN 117 1HB ASN 117 -10.560 17.539 8.692 814 1HD2 ASN 117 1HD2 ASN 117 -9.175 17.487 10.707 815 2HD2 ASN 117 2HD2 ASN 117 -9.170 15.991 11.591 816 H GLY 118 H GLY 118 -11.701 14.393 9.011 817 1HA GLY 118 1HA GLY 118 -14.332 14.384 7.941 818 2HA GLY 118 2HA GLY 118 -13.851 13.760 9.512 819 H ILE 119 H ILE 119 -13.605 15.307 11.268 820 HA ILE 119 HA ILE 119 -14.621 16.787 12.667 821 HB ILE 119 HB ILE 119 -14.596 18.743 10.373 822 1HG1 ILE 119 2HG1 ILE 119 -12.417 17.550 10.467 823 1HG2 ILE 119 1HG2 ILE 119 -15.220 18.937 13.118 824 2HG2 ILE 119 2HG2 ILE 119 -13.695 19.788 12.870 825 3HG2 ILE 119 3HG2 ILE 119 -15.116 20.234 11.925 826 1HD1 ILE 119 1HD1 ILE 119 -10.910 17.838 12.316 827 2HD1 ILE 119 2HD1 ILE 119 -12.144 18.709 13.228 828 3HD1 ILE 119 3HD1 ILE 119 -12.363 16.999 12.859 829 H ASP 120 H ASP 120 -16.493 15.222 12.176 830 HA ASP 120 HA ASP 120 -18.724 16.653 10.904 831 1HB ASP 120 2HB ASP 120 -17.970 14.377 10.042 832 2HB ASP 120 1HB ASP 120 -18.607 13.708 11.540 833 H ASP 121 H ASP 121 -20.864 16.296 11.841 834 HA ASP 121 HA ASP 121 -20.901 15.614 14.673 835 1HB ASP 121 2HB ASP 121 -20.666 18.228 14.135 836 2HB ASP 121 1HB ASP 121 -22.409 18.075 13.943 837 H GLU 122 H GLU 122 -23.190 15.483 15.451 838 HA GLU 122 HA GLU 122 -24.688 13.980 13.500 839 1HB GLU 122 2HB GLU 122 -25.710 14.616 16.245 840 2HB GLU 122 1HB GLU 122 -25.945 13.164 15.281 841 1HG GLU 122 2HG GLU 122 -23.867 12.310 15.818 842 2HG GLU 122 1HG GLU 122 -23.223 13.890 16.264 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -22.799 2.537 3.522 2 2H GLY 1 2H GLY 1 -21.508 3.555 3.928 3 3H GLY 1 3H GLY 1 -21.468 1.918 4.376 4 1HA GLY 1 2HA GLY 1 -21.154 3.111 1.695 5 2HA GLY 1 1HA GLY 1 -20.055 2.037 2.547 6 H SER 2 H SER 2 -22.648 2.270 0.355 7 HA SER 2 HA SER 2 -23.701 -0.354 0.564 8 1HB SER 2 2HB SER 2 -23.630 1.093 -2.058 9 2HB SER 2 1HB SER 2 -24.944 0.175 -1.321 10 HG SER 2 HG SER 2 -25.169 1.890 0.205 11 H LEU 3 H LEU 3 -21.179 1.072 -1.488 12 HA LEU 3 HA LEU 3 -20.373 -1.546 -2.483 13 1HB LEU 3 2HB LEU 3 -20.150 0.346 -3.992 14 2HB LEU 3 1HB LEU 3 -19.170 1.204 -2.820 15 HG LEU 3 HG LEU 3 -17.770 -1.149 -3.198 16 1HD1 LEU 3 1HD1 LEU 3 -19.436 -0.659 -5.515 17 2HD1 LEU 3 2HD1 LEU 3 -17.719 -0.636 -5.916 18 3HD1 LEU 3 3HD1 LEU 3 -18.420 -2.047 -5.125 19 1HD2 LEU 3 1HD2 LEU 3 -16.202 0.287 -4.452 20 2HD2 LEU 3 2HD2 LEU 3 -17.444 1.534 -4.532 21 3HD2 LEU 3 3HD2 LEU 3 -16.787 1.045 -2.971 22 H SER 4 H SER 4 -18.846 -2.776 -1.545 23 HA SER 4 HA SER 4 -17.944 -2.008 1.055 24 1HB SER 4 2HB SER 4 -17.139 -4.501 -0.409 25 2HB SER 4 1HB SER 4 -17.308 -4.250 1.329 26 HG SER 4 HG SER 4 -19.626 -3.763 0.686 27 H TRP 5 H TRP 5 -16.795 -0.323 -0.789 28 HA TRP 5 HA TRP 5 -14.795 0.593 -1.436 29 1HB TRP 5 2HB TRP 5 -13.638 -0.566 1.067 30 2HB TRP 5 1HB TRP 5 -13.537 1.080 0.444 31 HD1 TRP 5 HD TRP 5 -16.048 2.403 0.539 32 HE1 TRP 5 1HE TRP 5 -17.719 2.433 2.501 33 HE3 TRP 5 3HE TRP 5 -14.456 -1.779 2.962 34 HZ2 TRP 5 2HZ TRP 5 -18.284 0.847 4.788 35 HZ3 TRP 5 3HZ TRP 5 -15.603 -2.475 5.016 36 HH2 TRP 5 HH TRP 5 -17.483 -1.188 5.914 37 H LYS 6 H LYS 6 -12.334 -0.735 -0.010 38 HA LYS 6 HA LYS 6 -11.867 -2.892 -1.931 39 1HB LYS 6 2HB LYS 6 -10.701 -0.327 -2.054 40 2HB LYS 6 1HB LYS 6 -9.458 -1.391 -1.417 41 1HG LYS 6 2HG LYS 6 -9.356 -1.163 -3.848 42 2HG LYS 6 1HG LYS 6 -9.645 -2.831 -3.344 43 1HD LYS 6 2HD LYS 6 -11.349 -2.822 -4.794 44 2HD LYS 6 1HD LYS 6 -12.190 -1.783 -3.639 45 1HE LYS 6 2HE LYS 6 -11.280 0.190 -4.748 46 2HE LYS 6 1HE LYS 6 -10.425 -0.841 -5.894 47 1HZ LYS 6 1HZ LYS 6 -13.309 -0.305 -5.676 48 2HZ LYS 6 2HZ LYS 6 -12.775 -1.750 -6.387 49 3HZ LYS 6 3HZ LYS 6 -12.308 -0.258 -7.043 50 H ARG 7 H ARG 7 -9.567 -3.866 -1.265 51 HA ARG 7 HA ARG 7 -9.731 -4.351 1.629 52 1HB ARG 7 2HB ARG 7 -10.031 -6.331 0.231 53 2HB ARG 7 1HB ARG 7 -8.508 -6.008 -0.586 54 1HG ARG 7 2HG ARG 7 -8.096 -6.152 2.251 55 2HG ARG 7 1HG ARG 7 -8.933 -7.595 1.672 56 1HD ARG 7 2HD ARG 7 -7.064 -8.373 0.758 57 2HD ARG 7 1HD ARG 7 -6.839 -6.879 -0.153 58 HE ARG 7 HE ARG 7 -5.857 -6.045 2.078 59 1HH1 ARG 7 2HH1 ARG 7 -5.616 -9.326 0.871 60 2HH1 ARG 7 1HH1 ARG 7 -4.070 -9.623 1.616 61 1HH2 ARG 7 2HH2 ARG 7 -3.851 -6.427 3.077 62 2HH2 ARG 7 1HH2 ARG 7 -3.055 -7.964 2.879 63 H CYS 8 H CYS 8 -8.246 -3.430 2.843 64 HA CYS 8 HA CYS 8 -6.140 -1.888 1.861 65 1HB CYS 8 2HB CYS 8 -6.970 -1.286 3.964 66 2HB CYS 8 1HB CYS 8 -6.878 -2.932 4.577 67 H ALA 9 H ALA 9 -4.208 -2.394 1.165 68 HA ALA 9 HA ALA 9 -3.213 -5.099 1.358 69 1HB ALA 9 1HB ALA 9 -2.941 -3.935 -0.733 70 2HB ALA 9 2HB ALA 9 -2.064 -2.630 0.066 71 3HB ALA 9 3HB ALA 9 -1.349 -4.238 -0.036 72 H GLY 10 H GLY 10 -3.235 -2.682 3.510 73 1HA GLY 10 1HA GLY 10 -0.463 -2.883 4.390 74 2HA GLY 10 2HA GLY 10 -1.722 -1.888 5.109 75 H CYS 11 H CYS 11 -3.695 -3.696 5.666 76 HA CYS 11 HA CYS 11 -2.323 -5.498 7.543 77 1HB CYS 11 2HB CYS 11 -4.417 -5.436 8.899 78 2HB CYS 11 1HB CYS 11 -3.602 -3.884 8.781 79 H GLY 12 H GLY 12 -5.705 -5.558 6.640 80 1HA GLY 12 1HA GLY 12 -5.831 -7.351 4.605 81 2HA GLY 12 2HA GLY 12 -5.523 -8.368 6.006 82 H GLY 13 H GLY 13 -7.736 -5.910 4.739 83 1HA GLY 13 1HA GLY 13 -10.033 -7.329 5.405 84 2HA GLY 13 2HA GLY 13 -9.711 -6.122 6.651 85 H LYS 14 H LYS 14 -11.844 -5.519 5.652 86 HA LYS 14 HA LYS 14 -11.688 -3.992 3.198 87 1HB LYS 14 2HB LYS 14 -13.875 -4.733 5.091 88 2HB LYS 14 1HB LYS 14 -14.100 -3.345 4.032 89 1HG LYS 14 2HG LYS 14 -13.519 -4.867 2.108 90 2HG LYS 14 1HG LYS 14 -13.630 -6.209 3.249 91 1HD LYS 14 2HD LYS 14 -15.921 -4.439 3.414 92 2HD LYS 14 1HD LYS 14 -15.711 -5.105 1.792 93 1HE LYS 14 2HE LYS 14 -16.064 -7.258 2.481 94 2HE LYS 14 1HE LYS 14 -15.460 -6.949 4.108 95 1HZ LYS 14 1HZ LYS 14 -17.668 -7.112 4.535 96 2HZ LYS 14 2HZ LYS 14 -18.137 -6.543 3.008 97 3HZ LYS 14 3HZ LYS 14 -17.605 -5.450 4.190 98 H ILE 15 H ILE 15 -11.347 -1.878 3.060 99 HA ILE 15 HA ILE 15 -10.518 -0.471 5.414 100 HB ILE 15 HB ILE 15 -10.884 0.836 2.740 101 1HG1 ILE 15 2HG1 ILE 15 -8.421 -0.746 3.481 102 1HG2 ILE 15 1HG2 ILE 15 -9.363 1.330 5.217 103 2HG2 ILE 15 2HG2 ILE 15 -8.533 1.703 3.706 104 3HG2 ILE 15 3HG2 ILE 15 -10.080 2.467 4.076 105 1HD1 ILE 15 1HD1 ILE 15 -8.998 1.043 1.395 106 2HD1 ILE 15 2HD1 ILE 15 -7.567 0.031 1.609 107 3HD1 ILE 15 3HD1 ILE 15 -8.949 -0.575 0.695 108 H ALA 16 H ALA 16 -12.321 -0.232 6.690 109 HA ALA 16 HA ALA 16 -14.644 1.175 5.640 110 1HB ALA 16 1HB ALA 16 -15.610 -0.257 7.055 111 2HB ALA 16 2HB ALA 16 -14.094 -0.582 7.893 112 3HB ALA 16 3HB ALA 16 -15.066 0.821 8.339 113 H ASP 17 H ASP 17 -11.989 2.442 5.985 114 HA ASP 17 HA ASP 17 -12.580 4.476 8.013 115 1HB ASP 17 2HB ASP 17 -10.113 3.347 6.886 116 2HB ASP 17 1HB ASP 17 -10.100 5.101 7.022 117 H ARG 18 H ARG 18 -12.594 6.678 7.483 118 HA ARG 18 HA ARG 18 -13.340 7.217 4.717 119 1HB ARG 18 2HB ARG 18 -13.697 9.592 5.680 120 2HB ARG 18 1HB ARG 18 -14.810 8.317 6.150 121 1HG ARG 18 2HG ARG 18 -12.628 8.394 7.991 122 2HG ARG 18 1HG ARG 18 -13.314 10.010 7.814 123 1HD ARG 18 2HD ARG 18 -15.586 8.882 8.108 124 2HD ARG 18 1HD ARG 18 -14.681 7.476 8.666 125 HE ARG 18 HE ARG 18 -14.150 10.023 9.983 126 1HH1 ARG 18 2HH1 ARG 18 -15.712 6.888 10.048 127 2HH1 ARG 18 1HH1 ARG 18 -15.977 6.909 11.769 128 1HH2 ARG 18 2HH2 ARG 18 -14.482 10.050 12.242 129 2HH2 ARG 18 1HH2 ARG 18 -15.326 8.733 13.006 130 H PHE 19 H PHE 19 -10.563 7.084 6.450 131 HA PHE 19 HA PHE 19 -9.224 9.000 4.661 132 1HB PHE 19 2HB PHE 19 -8.046 8.070 7.277 133 2HB PHE 19 1HB PHE 19 -7.576 9.454 6.300 134 HD1 PHE 19 1HD PHE 19 -9.709 11.120 5.911 135 HD2 PHE 19 2HD PHE 19 -9.054 8.582 9.262 136 HE1 PHE 19 1HE PHE 19 -11.138 12.573 7.284 137 HE2 PHE 19 2HE PHE 19 -10.478 10.037 10.646 138 HZ PHE 19 HZ PHE 19 -11.523 12.035 9.653 139 H LEU 20 H LEU 20 -9.021 7.403 3.055 140 HA LEU 20 HA LEU 20 -7.331 5.111 3.790 141 1HB LEU 20 2HB LEU 20 -8.673 3.754 2.628 142 2HB LEU 20 1HB LEU 20 -9.834 5.063 2.696 143 HG LEU 20 HG LEU 20 -7.992 5.266 0.432 144 1HD1 LEU 20 1HD1 LEU 20 -9.520 3.436 -0.718 145 2HD1 LEU 20 2HD1 LEU 20 -8.000 3.018 0.070 146 3HD1 LEU 20 3HD1 LEU 20 -9.529 2.770 0.915 147 1HD2 LEU 20 1HD2 LEU 20 -10.995 5.265 0.710 148 2HD2 LEU 20 2HD2 LEU 20 -9.941 6.680 0.654 149 3HD2 LEU 20 3HD2 LEU 20 -10.102 5.644 -0.765 150 H LEU 21 H LEU 21 -6.079 4.232 1.863 151 HA LEU 21 HA LEU 21 -4.947 6.456 0.293 152 1HB LEU 21 2HB LEU 21 -3.713 5.368 2.446 153 2HB LEU 21 1HB LEU 21 -3.109 4.329 1.168 154 HG LEU 21 HG LEU 21 -2.954 7.149 0.469 155 1HD1 LEU 21 1HD1 LEU 21 -2.569 7.640 2.721 156 2HD1 LEU 21 2HD1 LEU 21 -1.654 6.156 2.983 157 3HD1 LEU 21 3HD1 LEU 21 -0.957 7.465 2.027 158 1HD2 LEU 21 1HD2 LEU 21 -0.791 5.071 0.728 159 2HD2 LEU 21 2HD2 LEU 21 -1.868 5.191 -0.666 160 3HD2 LEU 21 3HD2 LEU 21 -0.783 6.526 -0.272 161 H TYR 22 H TYR 22 -3.840 5.805 -1.630 162 HA TYR 22 HA TYR 22 -4.469 3.092 -2.577 163 1HB TYR 22 2HB TYR 22 -4.315 5.396 -4.492 164 2HB TYR 22 1HB TYR 22 -5.111 3.845 -4.691 165 HD1 TYR 22 1HD TYR 22 -5.622 7.269 -4.118 166 HD2 TYR 22 2HD TYR 22 -7.151 3.448 -3.057 167 HE1 TYR 22 1HE TYR 22 -7.794 8.282 -3.600 168 HE2 TYR 22 2HE TYR 22 -9.323 4.448 -2.533 169 HH TYR 22 HH TYR 22 -10.569 6.300 -2.641 170 H ALA 23 H ALA 23 -2.679 2.008 -3.163 171 HA ALA 23 HA ALA 23 -0.442 3.431 -4.329 172 1HB ALA 23 1HB ALA 23 -0.008 3.626 -1.920 173 2HB ALA 23 2HB ALA 23 -0.071 1.869 -1.775 174 3HB ALA 23 3HB ALA 23 1.204 2.631 -2.726 175 H MET 24 H MET 24 0.435 2.265 -5.882 176 HA MET 24 HA MET 24 0.967 0.547 -7.267 177 1HB MET 24 2HB MET 24 1.142 -0.653 -4.582 178 2HB MET 24 1HB MET 24 0.913 -1.809 -5.886 179 1HG MET 24 2HG MET 24 3.152 0.166 -5.549 180 2HG MET 24 1HG MET 24 3.243 -1.593 -5.516 181 1HE MET 24 1HE MET 24 3.781 -2.922 -7.040 182 2HE MET 24 2HE MET 24 2.671 -3.004 -8.409 183 3HE MET 24 3HE MET 24 4.356 -2.545 -8.664 184 H ASP 25 H ASP 25 -1.709 1.374 -7.098 185 HA ASP 25 HA ASP 25 -3.797 0.833 -7.777 186 1HB ASP 25 2HB ASP 25 -2.082 -1.100 -9.141 187 2HB ASP 25 1HB ASP 25 -3.735 -1.669 -8.928 188 H SER 26 H SER 26 -2.606 -0.233 -5.197 189 HA SER 26 HA SER 26 -4.875 -1.997 -4.574 190 1HB SER 26 2HB SER 26 -2.498 -2.097 -2.795 191 2HB SER 26 1HB SER 26 -3.582 -3.395 -3.298 192 HG SER 26 HG SER 26 -2.036 -2.317 -5.317 193 H TYR 27 H TYR 27 -6.001 -1.447 -2.704 194 HA TYR 27 HA TYR 27 -5.475 1.286 -1.833 195 1HB TYR 27 2HB TYR 27 -7.899 -0.492 -1.581 196 2HB TYR 27 1HB TYR 27 -7.780 1.080 -0.801 197 HD1 TYR 27 1HD TYR 27 -6.093 1.070 -3.963 198 HD2 TYR 27 2HD TYR 27 -9.944 1.405 -2.164 199 HE1 TYR 27 1HE TYR 27 -6.962 2.112 -6.015 200 HE2 TYR 27 2HE TYR 27 -10.810 2.464 -4.200 201 HH TYR 27 HH TYR 27 -10.227 3.455 -6.155 202 H TRP 28 H TRP 28 -5.440 1.874 0.362 203 HA TRP 28 HA TRP 28 -4.765 -0.289 2.245 204 1HB TRP 28 2HB TRP 28 -3.222 2.304 1.962 205 2HB TRP 28 1HB TRP 28 -2.859 0.989 3.063 206 HD1 TRP 28 HD TRP 28 -3.234 1.155 -0.820 207 HE1 TRP 28 1HE TRP 28 -1.187 -0.015 -1.847 208 HE3 TRP 28 3HE TRP 28 -0.793 -0.118 3.484 209 HZ2 TRP 28 2HZ TRP 28 1.165 -1.286 -0.948 210 HZ3 TRP 28 3HZ TRP 28 1.358 -1.299 3.315 211 HH2 TRP 28 HH TRP 28 2.317 -1.872 1.143 212 H HIS 29 H HIS 29 -4.404 0.777 4.486 213 HA HIS 29 HA HIS 29 -6.651 2.531 5.133 214 1HB HIS 29 2HB HIS 29 -4.742 0.843 6.689 215 2HB HIS 29 1HB HIS 29 -5.363 2.288 7.476 216 HD2 HIS 29 2HD HIS 29 -8.377 2.306 7.303 217 HE1 HIS 29 1HE HIS 29 -8.337 -1.906 7.781 218 HE2 HIS 29 2HE HIS 29 -9.718 0.215 8.081 219 H SER 30 H SER 30 -5.136 3.768 7.344 220 HA SER 30 HA SER 30 -3.550 5.671 5.760 221 1HB SER 30 2HB SER 30 -4.055 6.505 8.489 222 2HB SER 30 1HB SER 30 -4.492 7.307 6.981 223 HG SER 30 HG SER 30 -6.389 6.144 6.907 224 H ARG 31 H ARG 31 -3.578 4.089 8.951 225 HA ARG 31 HA ARG 31 -0.789 4.607 9.394 226 1HB ARG 31 2HB ARG 31 -2.297 4.601 11.268 227 2HB ARG 31 1HB ARG 31 -2.851 2.979 10.888 228 1HG ARG 31 2HG ARG 31 -0.068 2.800 11.256 229 2HG ARG 31 1HG ARG 31 -0.692 3.813 12.562 230 1HD ARG 31 2HD ARG 31 -0.701 1.446 13.186 231 2HD ARG 31 1HD ARG 31 -2.338 2.102 13.121 232 HE ARG 31 HE ARG 31 -2.724 0.886 11.123 233 1HH1 ARG 31 2HH1 ARG 31 0.353 0.197 12.638 234 2HH1 ARG 31 1HH1 ARG 31 0.643 -1.235 11.690 235 1HH2 ARG 31 2HH2 ARG 31 -2.349 -0.999 9.872 236 2HH2 ARG 31 1HH2 ARG 31 -0.898 -1.921 10.136 237 H CYS 32 H CYS 32 -2.483 2.195 7.715 238 HA CYS 32 HA CYS 32 -0.686 0.029 8.247 239 1HB CYS 32 2HB CYS 32 -2.874 0.436 6.219 240 2HB CYS 32 1HB CYS 32 -1.906 -1.031 6.291 241 H LEU 33 H LEU 33 -0.584 2.747 6.200 242 HA LEU 33 HA LEU 33 1.301 1.514 4.352 243 1HB LEU 33 2HB LEU 33 -0.334 3.266 3.592 244 2HB LEU 33 1HB LEU 33 0.559 4.430 4.554 245 HG LEU 33 HG LEU 33 2.613 3.742 3.179 246 1HD1 LEU 33 1HD1 LEU 33 0.520 2.139 1.919 247 2HD1 LEU 33 2HD1 LEU 33 1.466 3.103 0.784 248 3HD1 LEU 33 3HD1 LEU 33 2.275 1.967 1.864 249 1HD2 LEU 33 1HD2 LEU 33 2.059 5.820 2.567 250 2HD2 LEU 33 2HD2 LEU 33 1.428 5.031 1.121 251 3HD2 LEU 33 3HD2 LEU 33 0.340 5.439 2.450 252 H LYS 34 H LYS 34 2.411 0.970 6.475 253 HA LYS 34 HA LYS 34 4.314 3.105 7.167 254 1HB LYS 34 2HB LYS 34 4.322 2.411 9.356 255 2HB LYS 34 1HB LYS 34 2.678 1.969 8.927 256 1HG LYS 34 2HG LYS 34 4.871 -0.035 8.629 257 2HG LYS 34 1HG LYS 34 4.193 0.299 10.223 258 1HD LYS 34 2HD LYS 34 2.329 -0.856 9.776 259 2HD LYS 34 1HD LYS 34 2.141 -0.091 8.195 260 1HE LYS 34 2HE LYS 34 3.291 -1.731 7.109 261 2HE LYS 34 1HE LYS 34 4.312 -2.089 8.500 262 1HZ LYS 34 1HZ LYS 34 2.420 -3.713 7.706 263 2HZ LYS 34 2HZ LYS 34 1.467 -2.733 8.706 264 3HZ LYS 34 3HZ LYS 34 2.812 -3.541 9.349 265 H CYS 35 H CYS 35 6.513 2.453 7.494 266 HA CYS 35 HA CYS 35 7.510 0.808 5.481 267 1HB CYS 35 2HB CYS 35 8.816 2.586 6.593 268 2HB CYS 35 1HB CYS 35 8.870 1.619 8.063 269 H SER 36 H SER 36 8.169 -1.295 5.410 270 HA SER 36 HA SER 36 7.076 -3.117 7.336 271 1HB SER 36 2HB SER 36 9.060 -3.756 5.148 272 2HB SER 36 1HB SER 36 7.916 -4.855 5.919 273 HG SER 36 HG SER 36 7.348 -2.682 4.175 274 H SER 37 H SER 37 9.777 -1.205 7.336 275 HA SER 37 HA SER 37 11.232 -3.068 9.091 276 1HB SER 37 2HB SER 37 12.866 -0.901 8.100 277 2HB SER 37 1HB SER 37 13.098 -2.641 7.931 278 HG SER 37 HG SER 37 11.530 -0.933 6.280 279 H CYS 38 H CYS 38 10.328 0.333 8.582 280 HA CYS 38 HA CYS 38 11.324 1.026 11.229 281 1HB CYS 38 2HB CYS 38 10.008 2.709 9.092 282 2HB CYS 38 1HB CYS 38 10.655 3.332 10.605 283 H GLN 39 H GLN 39 8.306 0.502 9.591 284 HA GLN 39 HA GLN 39 6.144 0.443 10.251 285 1HB GLN 39 2HB GLN 39 7.499 0.163 12.901 286 2HB GLN 39 1HB GLN 39 5.767 0.463 12.847 287 1HG GLN 39 2HG GLN 39 5.552 -1.739 12.703 288 2HG GLN 39 1HG GLN 39 6.077 -1.557 11.029 289 1HE2 GLN 39 1HE2 GLN 39 7.744 -2.733 10.430 290 2HE2 GLN 39 2HE2 GLN 39 8.935 -3.428 11.480 291 H ALA 40 H ALA 40 7.718 2.904 9.901 292 HA ALA 40 HA ALA 40 6.215 4.831 11.467 293 1HB ALA 40 1HB ALA 40 8.838 4.813 10.406 294 2HB ALA 40 2HB ALA 40 7.933 6.055 9.542 295 3HB ALA 40 3HB ALA 40 8.037 6.103 11.301 296 H GLN 41 H GLN 41 4.667 5.985 10.603 297 HA GLN 41 HA GLN 41 3.315 5.096 8.320 298 1HB GLN 41 2HB GLN 41 2.697 6.705 10.441 299 2HB GLN 41 1HB GLN 41 2.787 7.881 9.137 300 1HG GLN 41 2HG GLN 41 1.267 5.496 8.434 301 2HG GLN 41 1HG GLN 41 0.596 6.383 9.801 302 1HE2 GLN 41 1HE2 GLN 41 -0.995 7.633 9.122 303 2HE2 GLN 41 2HE2 GLN 41 -0.964 8.616 7.695 304 H LEU 42 H LEU 42 3.926 5.299 6.294 305 HA LEU 42 HA LEU 42 6.068 6.897 5.483 306 1HB LEU 42 2HB LEU 42 4.258 4.971 4.283 307 2HB LEU 42 1HB LEU 42 4.705 6.234 3.153 308 HG LEU 42 HG LEU 42 6.991 5.666 3.245 309 1HD1 LEU 42 1HD1 LEU 42 7.393 5.448 5.565 310 2HD1 LEU 42 2HD1 LEU 42 6.292 4.078 5.702 311 3HD1 LEU 42 3HD1 LEU 42 7.822 3.898 4.841 312 1HD2 LEU 42 1HD2 LEU 42 6.991 3.190 2.827 313 2HD2 LEU 42 2HD2 LEU 42 5.289 3.182 3.294 314 3HD2 LEU 42 3HD2 LEU 42 5.814 4.109 1.889 315 H GLY 43 H GLY 43 2.758 7.695 5.766 316 1HA GLY 43 1HA GLY 43 2.934 9.931 3.893 317 2HA GLY 43 2HA GLY 43 1.505 9.428 4.782 318 H ASP 44 H ASP 44 3.852 9.374 7.021 319 HA ASP 44 HA ASP 44 3.171 12.063 7.959 320 1HB ASP 44 2HB ASP 44 2.819 10.340 9.609 321 2HB ASP 44 1HB ASP 44 4.443 9.702 9.366 322 H ILE 45 H ILE 45 5.855 10.082 6.969 323 HA ILE 45 HA ILE 45 7.796 12.190 7.499 324 HB ILE 45 HB ILE 45 9.336 10.437 6.303 325 1HG1 ILE 45 2HG1 ILE 45 7.196 8.581 7.343 326 1HG2 ILE 45 1HG2 ILE 45 8.798 11.078 8.900 327 2HG2 ILE 45 2HG2 ILE 45 8.559 9.330 8.892 328 3HG2 ILE 45 3HG2 ILE 45 10.097 10.013 8.362 329 1HD1 ILE 45 1HD1 ILE 45 9.187 7.386 7.211 330 2HD1 ILE 45 2HD1 ILE 45 8.365 7.027 5.693 331 3HD1 ILE 45 3HD1 ILE 45 9.684 8.196 5.727 332 H GLY 46 H GLY 46 6.079 13.232 5.857 333 1HA GLY 46 1HA GLY 46 6.195 14.480 3.864 334 2HA GLY 46 2HA GLY 46 7.485 13.420 3.303 335 H THR 47 H THR 47 6.799 12.501 1.472 336 HA THR 47 HA THR 47 4.565 10.701 1.683 337 HB THR 47 HB THR 47 4.128 11.859 -0.854 338 HG1 THR 47 1HG THR 47 5.016 13.810 -0.232 339 1HG2 THR 47 1HG2 THR 47 2.586 10.758 0.943 340 2HG2 THR 47 2HG2 THR 47 1.926 11.962 -0.164 341 3HG2 THR 47 3HG2 THR 47 2.354 12.419 1.484 342 H SER 48 H SER 48 5.809 8.960 1.262 343 HA SER 48 HA SER 48 6.673 8.564 -1.441 344 1HB SER 48 2HB SER 48 9.003 7.778 -0.123 345 2HB SER 48 1HB SER 48 8.823 9.190 -1.162 346 HG SER 48 HG SER 48 8.494 10.466 0.613 347 H SER 49 H SER 49 7.177 6.335 -1.868 348 HA SER 49 HA SER 49 7.030 4.397 0.235 349 1HB SER 49 2HB SER 49 4.948 3.373 -1.158 350 2HB SER 49 1HB SER 49 4.749 4.399 0.261 351 HG SER 49 HG SER 49 4.351 6.129 -1.033 352 H TYR 50 H TYR 50 8.053 2.578 -0.387 353 HA TYR 50 HA TYR 50 8.672 2.336 -3.257 354 1HB TYR 50 2HB TYR 50 10.365 2.092 -0.817 355 2HB TYR 50 1HB TYR 50 10.751 1.071 -2.200 356 HD1 TYR 50 1HD TYR 50 11.343 4.184 -0.702 357 HD2 TYR 50 2HD TYR 50 10.823 2.353 -4.506 358 HE1 TYR 50 1HE TYR 50 12.526 6.059 -1.763 359 HE2 TYR 50 2HE TYR 50 12.003 4.220 -5.571 360 HH TYR 50 HH TYR 50 12.859 6.262 -5.296 361 H THR 51 H THR 51 7.999 0.541 -4.226 362 HA THR 51 HA THR 51 7.010 -1.646 -2.545 363 HB THR 51 HB THR 51 6.776 -1.805 -5.497 364 HG1 THR 51 1HG THR 51 5.961 0.362 -4.030 365 1HG2 THR 51 1HG2 THR 51 5.644 -3.050 -3.251 366 2HG2 THR 51 2HG2 THR 51 5.192 -3.278 -4.940 367 3HG2 THR 51 3HG2 THR 51 4.353 -2.079 -3.959 368 H LYS 52 H LYS 52 8.594 -2.987 -1.939 369 HA LYS 52 HA LYS 52 10.171 -4.253 -4.055 370 1HB LYS 52 2HB LYS 52 11.227 -2.688 -1.757 371 2HB LYS 52 1HB LYS 52 12.075 -4.169 -2.177 372 1HG LYS 52 2HG LYS 52 11.593 -1.779 -3.940 373 2HG LYS 52 1HG LYS 52 13.131 -2.334 -3.277 374 1HD LYS 52 2HD LYS 52 13.276 -4.107 -4.743 375 2HD LYS 52 1HD LYS 52 11.530 -4.180 -4.992 376 1HE LYS 52 2HE LYS 52 12.960 -1.731 -5.874 377 2HE LYS 52 1HE LYS 52 13.181 -3.200 -6.824 378 1HZ LYS 52 1HZ LYS 52 10.823 -1.528 -6.513 379 2HZ LYS 52 2HZ LYS 52 10.542 -3.201 -6.551 380 3HZ LYS 52 3HZ LYS 52 11.341 -2.449 -7.841 381 H SER 53 H SER 53 10.442 -6.390 -3.779 382 HA SER 53 HA SER 53 10.218 -8.487 -2.941 383 1HB SER 53 2HB SER 53 10.388 -7.111 -0.248 384 2HB SER 53 1HB SER 53 10.548 -8.844 -0.522 385 HG SER 53 HG SER 53 12.315 -8.110 -2.055 386 H GLY 54 H GLY 54 7.879 -6.613 -3.319 387 1HA GLY 54 1HA GLY 54 5.591 -6.996 -3.290 388 2HA GLY 54 2HA GLY 54 5.870 -8.417 -2.292 389 H MET 55 H MET 55 7.497 -5.843 -0.981 390 HA MET 55 HA MET 55 5.233 -5.139 0.763 391 1HB MET 55 2HB MET 55 6.611 -5.150 2.673 392 2HB MET 55 1HB MET 55 7.028 -6.628 1.818 393 1HG MET 55 2HG MET 55 8.929 -5.206 0.791 394 2HG MET 55 1HG MET 55 8.608 -4.112 2.135 395 1HE MET 55 1HE MET 55 11.751 -5.278 2.689 396 2HE MET 55 2HE MET 55 11.658 -6.930 2.078 397 3HE MET 55 3HE MET 55 11.038 -5.596 1.106 398 H ILE 56 H ILE 56 6.065 -3.070 2.119 399 HA ILE 56 HA ILE 56 7.081 -1.189 0.103 400 HB ILE 56 HB ILE 56 4.565 -1.110 1.040 401 1HG1 ILE 56 2HG1 ILE 56 5.177 1.593 0.727 402 1HG2 ILE 56 1HG2 ILE 56 5.173 1.164 2.608 403 2HG2 ILE 56 2HG2 ILE 56 4.328 -0.309 3.088 404 3HG2 ILE 56 3HG2 ILE 56 6.081 -0.200 3.262 405 1HD1 ILE 56 1HD1 ILE 56 3.424 0.513 -0.504 406 2HD1 ILE 56 2HD1 ILE 56 4.555 1.266 -1.628 407 3HD1 ILE 56 3HD1 ILE 56 4.598 -0.479 -1.372 408 H LEU 57 H LEU 57 8.669 0.162 0.643 409 HA LEU 57 HA LEU 57 9.669 0.089 3.420 410 1HB LEU 57 2HB LEU 57 11.338 0.364 0.915 411 2HB LEU 57 1HB LEU 57 11.933 0.273 2.560 412 HG LEU 57 HG LEU 57 10.561 -1.951 1.064 413 1HD1 LEU 57 1HD1 LEU 57 12.750 -1.579 0.167 414 2HD1 LEU 57 2HD1 LEU 57 13.446 -1.501 1.785 415 3HD1 LEU 57 3HD1 LEU 57 12.792 -3.021 1.180 416 1HD2 LEU 57 1HD2 LEU 57 11.658 -3.195 3.120 417 2HD2 LEU 57 2HD2 LEU 57 11.429 -1.622 3.884 418 3HD2 LEU 57 3HD2 LEU 57 10.044 -2.491 3.221 419 H CYS 58 H CYS 58 11.137 1.992 3.853 420 HA CYS 58 HA CYS 58 9.874 4.427 2.910 421 1HB CYS 58 2HB CYS 58 11.309 5.542 4.574 422 2HB CYS 58 1HB CYS 58 10.375 4.239 5.300 423 H ARG 59 H ARG 59 11.502 6.248 2.377 424 HA ARG 59 HA ARG 59 13.026 5.418 0.109 425 1HB ARG 59 2HB ARG 59 12.113 7.560 -0.118 426 2HB ARG 59 1HB ARG 59 12.572 8.034 1.510 427 1HG ARG 59 2HG ARG 59 14.005 9.251 0.155 428 2HG ARG 59 1HG ARG 59 14.986 7.877 0.666 429 1HD ARG 59 2HD ARG 59 15.415 8.017 -1.613 430 2HD ARG 59 1HD ARG 59 14.172 6.769 -1.512 431 HE ARG 59 HE ARG 59 12.563 8.493 -2.179 432 1HH1 ARG 59 2HH1 ARG 59 15.950 9.077 -2.776 433 2HH1 ARG 59 1HH1 ARG 59 15.668 10.154 -4.104 434 1HH2 ARG 59 2HH2 ARG 59 12.159 9.922 -3.878 435 2HH2 ARG 59 1HH2 ARG 59 13.488 10.669 -4.721 436 H ASN 60 H ASN 60 13.710 6.223 3.428 437 HA ASN 60 HA ASN 60 16.531 6.404 3.228 438 1HB ASN 60 2HB ASN 60 14.713 6.926 5.180 439 2HB ASN 60 1HB ASN 60 15.382 5.404 5.760 440 1HD2 ASN 60 1HD2 ASN 60 16.792 8.227 4.113 441 2HD2 ASN 60 2HD2 ASN 60 18.014 8.510 5.309 442 H ASP 61 H ASP 61 14.313 3.744 3.948 443 HA ASP 61 HA ASP 61 16.420 1.881 4.469 444 1HB ASP 61 2HB ASP 61 13.469 1.812 4.400 445 2HB ASP 61 1HB ASP 61 14.280 0.286 4.050 446 H TYR 62 H TYR 62 14.471 2.697 1.677 447 HA TYR 62 HA TYR 62 14.910 0.532 0.040 448 1HB TYR 62 2HB TYR 62 13.487 2.520 -0.479 449 2HB TYR 62 1HB TYR 62 14.954 3.417 -0.861 450 HD1 TYR 62 1HD TYR 62 15.788 3.380 -3.040 451 HD2 TYR 62 2HD TYR 62 13.095 0.331 -1.798 452 HE1 TYR 62 1HE TYR 62 15.707 2.519 -5.341 453 HE2 TYR 62 2HE TYR 62 13.004 -0.531 -4.094 454 HH TYR 62 HH TYR 62 13.649 0.961 -6.645 455 H ILE 63 H ILE 63 17.064 3.296 0.590 456 HA ILE 63 HA ILE 63 19.005 2.470 -1.322 457 HB ILE 63 HB ILE 63 19.781 4.188 0.991 458 1HG1 ILE 63 2HG1 ILE 63 17.459 4.859 0.284 459 1HG2 ILE 63 1HG2 ILE 63 21.509 3.892 -0.553 460 2HG2 ILE 63 2HG2 ILE 63 20.427 4.053 -1.935 461 3HG2 ILE 63 3HG2 ILE 63 20.831 5.466 -0.961 462 1HD1 ILE 63 1HD1 ILE 63 16.887 5.127 -1.820 463 2HD1 ILE 63 2HD1 ILE 63 18.145 6.346 -2.022 464 3HD1 ILE 63 3HD1 ILE 63 18.508 4.648 -2.325 465 H ARG 64 H ARG 64 18.256 1.341 1.766 466 HA ARG 64 HA ARG 64 20.930 0.301 2.309 467 1HB ARG 64 2HB ARG 64 18.333 0.365 3.788 468 2HB ARG 64 1HB ARG 64 19.482 -0.908 4.176 469 1HG ARG 64 2HG ARG 64 21.071 0.597 4.963 470 2HG ARG 64 1HG ARG 64 20.305 1.971 4.162 471 1HD ARG 64 2HD ARG 64 18.283 1.275 5.728 472 2HD ARG 64 1HD ARG 64 19.590 0.601 6.700 473 HE ARG 64 HE ARG 64 20.581 2.916 6.560 474 1HH1 ARG 64 2HH1 ARG 64 17.122 2.317 6.494 475 2HH1 ARG 64 1HH1 ARG 64 16.717 3.913 7.056 476 1HH2 ARG 64 2HH2 ARG 64 20.052 5.006 7.285 477 2HH2 ARG 64 1HH2 ARG 64 18.380 5.458 7.462 478 H LEU 65 H LEU 65 17.654 -0.952 1.794 479 HA LEU 65 HA LEU 65 18.478 -3.650 1.574 480 1HB LEU 65 2HB LEU 65 16.036 -2.195 1.666 481 2HB LEU 65 1HB LEU 65 15.972 -3.269 0.284 482 HG LEU 65 HG LEU 65 14.994 -4.440 2.097 483 1HD1 LEU 65 1HD1 LEU 65 17.278 -5.375 0.798 484 2HD1 LEU 65 2HD1 LEU 65 17.491 -5.822 2.489 485 3HD1 LEU 65 3HD1 LEU 65 16.047 -6.337 1.619 486 1HD2 LEU 65 1HD2 LEU 65 15.839 -4.581 4.266 487 2HD2 LEU 65 2HD2 LEU 65 17.450 -4.062 3.773 488 3HD2 LEU 65 3HD2 LEU 65 16.123 -2.902 3.807 489 H PHE 66 H PHE 66 17.455 -1.286 -0.890 490 HA PHE 66 HA PHE 66 18.636 -3.067 -2.920 491 1HB PHE 66 2HB PHE 66 16.087 -1.445 -3.101 492 2HB PHE 66 1HB PHE 66 16.841 -2.253 -4.472 493 HD1 PHE 66 1HD PHE 66 16.688 -4.624 -4.751 494 HD2 PHE 66 2HD PHE 66 15.068 -2.739 -1.296 495 HE1 PHE 66 1HE PHE 66 15.485 -6.694 -4.189 496 HE2 PHE 66 2HE PHE 66 13.867 -4.810 -0.726 497 HZ PHE 66 HZ PHE 66 14.077 -6.790 -2.171 498 H GLY 67 H GLY 67 19.881 -0.851 -1.561 499 1HA GLY 67 1HA GLY 67 19.908 1.395 -3.369 500 2HA GLY 67 2HA GLY 67 20.954 1.161 -1.976 501 H ASN 68 H ASN 68 21.548 -1.604 -3.133 502 HA ASN 68 HA ASN 68 23.964 -0.880 -4.438 503 1HB ASN 68 2HB ASN 68 23.625 -2.948 -3.039 504 2HB ASN 68 1HB ASN 68 22.678 -3.618 -4.366 505 1HD2 ASN 68 1HD2 ASN 68 23.765 -4.973 -5.566 506 2HD2 ASN 68 2HD2 ASN 68 25.460 -4.882 -5.942 507 H SER 69 H SER 69 24.045 -0.115 -6.411 508 HA SER 69 HA SER 69 23.739 0.204 -8.624 509 1HB SER 69 2HB SER 69 22.538 -2.574 -8.593 510 2HB SER 69 1HB SER 69 22.988 -1.671 -10.040 511 HG SER 69 HG SER 69 24.992 -1.872 -8.146 512 H GLY 70 H GLY 70 20.890 -1.786 -8.792 513 1HA GLY 70 1HA GLY 70 18.638 -1.247 -8.820 514 2HA GLY 70 2HA GLY 70 19.041 0.333 -8.157 515 H ALA 71 H ALA 71 20.393 1.669 -9.802 516 HA ALA 71 HA ALA 71 19.614 1.270 -12.563 517 1HB ALA 71 1HB ALA 71 18.080 2.972 -10.960 518 2HB ALA 71 2HB ALA 71 19.111 4.027 -11.924 519 3HB ALA 71 3HB ALA 71 18.062 2.855 -12.720 520 H GLY 72 H GLY 72 22.005 0.853 -11.960 521 1HA GLY 72 1HA GLY 72 23.562 2.964 -13.084 522 2HA GLY 72 2HA GLY 72 23.818 2.835 -11.348 523 H GLY 73 H GLY 73 24.773 1.735 -14.354 524 1HA GLY 73 1HA GLY 73 25.343 -0.945 -13.978 525 2HA GLY 73 2HA GLY 73 26.259 0.120 -15.030 526 H SER 74 H SER 74 27.201 1.843 -12.927 527 HA SER 74 HA SER 74 29.221 0.053 -11.776 528 1HB SER 74 2HB SER 74 29.618 2.969 -11.577 529 2HB SER 74 1HB SER 74 30.745 1.707 -12.082 530 HG SER 74 HG SER 74 29.359 3.396 -13.609 531 H GLY 75 H GLY 75 26.449 0.618 -10.754 532 1HA GLY 75 1HA GLY 75 25.920 0.350 -8.404 533 2HA GLY 75 2HA GLY 75 27.256 1.435 -8.036 534 H GLY 76 H GLY 76 24.823 1.949 -6.932 535 1HA GLY 76 1HA GLY 76 23.520 3.971 -8.604 536 2HA GLY 76 2HA GLY 76 22.963 3.402 -7.036 537 H HIS 77 H HIS 77 23.740 6.132 -8.312 538 HA HIS 77 HA HIS 77 25.045 7.110 -5.902 539 1HB HIS 77 2HB HIS 77 26.404 6.808 -8.439 540 2HB HIS 77 1HB HIS 77 26.368 8.493 -7.940 541 HD1 HIS 77 1HD HIS 77 26.595 7.861 -4.825 542 HD2 HIS 77 2HD HIS 77 29.067 6.398 -7.837 543 HE1 HIS 77 1HE HIS 77 28.759 7.258 -3.695 544 HE2 HIS 77 2HE HIS 77 30.149 6.173 -5.497 545 H MET 78 H MET 78 25.439 9.645 -6.330 546 HA MET 78 HA MET 78 24.459 11.682 -6.434 547 1HB MET 78 2HB MET 78 23.734 10.387 -8.924 548 2HB MET 78 1HB MET 78 22.484 11.509 -8.408 549 1HG MET 78 2HG MET 78 23.888 13.339 -8.535 550 2HG MET 78 1HG MET 78 25.347 12.354 -8.442 551 1HE MET 78 1HE MET 78 26.296 11.087 -11.394 552 2HE MET 78 2HE MET 78 25.499 10.372 -9.992 553 3HE MET 78 3HE MET 78 24.761 10.241 -11.588 554 H GLY 79 H GLY 79 23.327 9.504 -4.822 555 1HA GLY 79 1HA GLY 79 21.570 9.279 -3.333 556 2HA GLY 79 2HA GLY 79 20.872 10.756 -3.990 557 H SER 80 H SER 80 19.608 10.653 -5.855 558 HA SER 80 HA SER 80 18.778 7.957 -6.684 559 1HB SER 80 2HB SER 80 16.643 9.730 -7.242 560 2HB SER 80 1HB SER 80 16.665 8.412 -6.072 561 HG SER 80 HG SER 80 17.783 10.918 -5.400 562 H GLY 81 H GLY 81 20.616 8.424 -8.185 563 1HA GLY 81 1HA GLY 81 19.888 10.340 -10.301 564 2HA GLY 81 2HA GLY 81 21.511 9.748 -9.974 565 H GLY 82 H GLY 82 18.603 7.772 -10.211 566 1HA GLY 82 1HA GLY 82 19.878 6.037 -12.102 567 2HA GLY 82 2HA GLY 82 18.237 5.890 -11.487 568 H ASP 83 H ASP 83 17.428 8.555 -12.304 569 HA ASP 83 HA ASP 83 16.582 7.968 -14.962 570 1HB ASP 83 2HB ASP 83 15.297 9.351 -13.295 571 2HB ASP 83 1HB ASP 83 16.464 10.643 -13.554 572 H VAL 84 H VAL 84 19.321 9.508 -13.627 573 HA VAL 84 HA VAL 84 20.024 10.848 -16.121 574 HB VAL 84 HB VAL 84 22.003 10.764 -13.927 575 1HG1 VAL 84 1HG1 VAL 84 22.640 12.778 -14.751 576 2HG1 VAL 84 2HG1 VAL 84 21.824 12.160 -16.190 577 3HG1 VAL 84 3HG1 VAL 84 20.986 13.278 -15.111 578 1HG2 VAL 84 1HG2 VAL 84 20.749 11.540 -12.266 579 2HG2 VAL 84 2HG2 VAL 84 20.141 12.842 -13.288 580 3HG2 VAL 84 3HG2 VAL 84 19.316 11.283 -13.261 581 H MET 85 H MET 85 20.444 7.859 -14.605 582 HA MET 85 HA MET 85 22.982 7.315 -15.953 583 1HB MET 85 2HB MET 85 21.829 6.495 -13.488 584 2HB MET 85 1HB MET 85 22.037 5.062 -14.484 585 1HG MET 85 2HG MET 85 24.039 5.169 -13.366 586 2HG MET 85 1HG MET 85 24.419 5.980 -14.885 587 1HE MET 85 1HE MET 85 26.470 6.904 -14.009 588 2HE MET 85 2HE MET 85 25.789 8.332 -14.785 589 3HE MET 85 3HE MET 85 26.549 8.470 -13.201 590 H VAL 86 H VAL 86 19.674 6.041 -15.735 591 HA VAL 86 HA VAL 86 20.168 4.059 -17.763 592 HB VAL 86 HB VAL 86 17.436 4.925 -16.831 593 1HG1 VAL 86 1HG1 VAL 86 17.845 3.312 -18.789 594 2HG1 VAL 86 2HG1 VAL 86 18.350 2.161 -17.553 595 3HG1 VAL 86 3HG1 VAL 86 16.713 2.818 -17.530 596 1HG2 VAL 86 1HG2 VAL 86 17.555 3.451 -14.976 597 2HG2 VAL 86 2HG2 VAL 86 19.115 2.813 -15.494 598 3HG2 VAL 86 3HG2 VAL 86 18.994 4.467 -14.896 599 H VAL 87 H VAL 87 21.028 5.861 -19.167 600 HA VAL 87 HA VAL 87 18.861 6.769 -20.935 601 HB VAL 87 HB VAL 87 20.615 8.659 -21.517 602 1HG1 VAL 87 1HG1 VAL 87 18.471 8.503 -19.497 603 2HG1 VAL 87 2HG1 VAL 87 19.512 9.926 -19.423 604 3HG1 VAL 87 3HG1 VAL 87 18.633 9.552 -20.905 605 1HG2 VAL 87 1HG2 VAL 87 21.384 9.330 -18.998 606 2HG2 VAL 87 2HG2 VAL 87 21.578 7.578 -18.965 607 3HG2 VAL 87 3HG2 VAL 87 22.420 8.533 -20.183 608 H GLY 88 H GLY 88 19.212 4.889 -22.154 609 1HA GLY 88 1HA GLY 88 20.194 4.289 -24.305 610 2HA GLY 88 2HA GLY 88 21.726 4.909 -23.704 611 H GLU 89 H GLU 89 19.822 3.175 -21.478 612 HA GLU 89 HA GLU 89 21.692 0.914 -21.605 613 1HB GLU 89 2HB GLU 89 19.803 1.843 -19.425 614 2HB GLU 89 1HB GLU 89 20.817 0.411 -19.314 615 1HG GLU 89 2HG GLU 89 22.309 2.807 -20.013 616 2HG GLU 89 1HG GLU 89 21.471 2.934 -18.467 617 HA PRO 90 HA PRO 90 18.709 -2.096 -22.917 618 1HB PRO 90 2HB PRO 90 18.782 -3.452 -20.267 619 2HB PRO 90 1HB PRO 90 19.057 -4.119 -21.882 620 1HG PRO 90 2HG PRO 90 21.101 -3.685 -20.240 621 2HG PRO 90 1HG PRO 90 21.244 -3.342 -21.973 622 1HD PRO 90 2HD PRO 90 20.861 -1.451 -19.692 623 2HD PRO 90 1HD PRO 90 21.843 -1.264 -21.159 624 H THR 91 H THR 91 18.196 -0.819 -19.685 625 HA THR 91 HA THR 91 15.373 -1.315 -19.618 626 HB THR 91 HB THR 91 16.210 0.884 -17.939 627 HG1 THR 91 1HG THR 91 17.814 -0.241 -16.750 628 1HG2 THR 91 1HG2 THR 91 14.996 -1.810 -17.653 629 2HG2 THR 91 2HG2 THR 91 14.428 -0.246 -17.069 630 3HG2 THR 91 3HG2 THR 91 15.723 -1.089 -16.214 631 H LEU 92 H LEU 92 14.007 -0.289 -20.925 632 HA LEU 92 HA LEU 92 14.743 2.105 -22.308 633 1HB LEU 92 2HB LEU 92 11.946 1.027 -22.196 634 2HB LEU 92 1HB LEU 92 12.747 1.869 -23.508 635 HG LEU 92 HG LEU 92 13.442 -0.928 -22.612 636 1HD1 LEU 92 1HD1 LEU 92 11.863 -1.757 -23.936 637 2HD1 LEU 92 2HD1 LEU 92 11.170 -0.134 -23.965 638 3HD1 LEU 92 3HD1 LEU 92 12.272 -0.645 -25.245 639 1HD2 LEU 92 1HD2 LEU 92 15.103 0.698 -23.863 640 2HD2 LEU 92 2HD2 LEU 92 14.984 -1.008 -24.291 641 3HD2 LEU 92 3HD2 LEU 92 14.153 0.204 -25.264 642 H MET 93 H MET 93 12.730 1.318 -19.563 643 HA MET 93 HA MET 93 12.301 4.200 -19.107 644 1HB MET 93 2HB MET 93 10.187 2.990 -19.452 645 2HB MET 93 1HB MET 93 10.613 1.872 -18.164 646 1HG MET 93 2HG MET 93 10.811 4.408 -17.026 647 2HG MET 93 1HG MET 93 9.356 4.454 -18.018 648 1HE MET 93 1HE MET 93 9.108 5.177 -15.501 649 2HE MET 93 2HE MET 93 7.729 4.268 -14.882 650 3HE MET 93 3HE MET 93 9.319 4.065 -14.145 651 H GLY 94 H GLY 94 14.003 4.708 -17.832 652 1HA GLY 94 1HA GLY 94 14.815 2.902 -15.690 653 2HA GLY 94 2HA GLY 94 15.629 4.384 -16.174 654 H GLY 95 H GLY 95 12.587 3.263 -14.711 655 1HA GLY 95 1HA GLY 95 12.139 5.819 -13.449 656 2HA GLY 95 2HA GLY 95 11.163 4.368 -13.260 657 H GLU 96 H GLU 96 13.138 2.599 -12.400 658 HA GLU 96 HA GLU 96 13.152 3.038 -9.638 659 1HB GLU 96 2HB GLU 96 14.928 1.248 -11.304 660 2HB GLU 96 1HB GLU 96 14.815 1.186 -9.551 661 1HG GLU 96 2HG GLU 96 13.010 -0.089 -9.640 662 2HG GLU 96 1HG GLU 96 12.203 1.019 -10.748 663 H PHE 97 H PHE 97 14.490 4.021 -8.263 664 HA PHE 97 HA PHE 97 16.167 5.292 -7.430 665 1HB PHE 97 2HB PHE 97 17.506 3.457 -9.159 666 2HB PHE 97 1HB PHE 97 18.275 5.031 -9.317 667 HD1 PHE 97 1HD PHE 97 16.637 3.932 -6.233 668 HD2 PHE 97 2HD PHE 97 20.333 4.374 -8.291 669 HE1 PHE 97 1HE PHE 97 17.851 3.541 -4.128 670 HE2 PHE 97 2HE PHE 97 21.555 3.989 -6.188 671 HZ PHE 97 HZ PHE 97 20.312 3.569 -4.104 672 H GLY 98 H GLY 98 14.432 6.054 -9.890 673 1HA GLY 98 1HA GLY 98 15.998 8.273 -10.956 674 2HA GLY 98 2HA GLY 98 14.391 7.781 -11.477 675 H ASP 99 H ASP 99 14.517 7.842 -8.170 676 HA ASP 99 HA ASP 99 13.929 9.283 -6.510 677 1HB ASP 99 2HB ASP 99 15.213 11.113 -7.223 678 2HB ASP 99 1HB ASP 99 14.268 11.329 -8.691 679 H GLU 100 H GLU 100 12.219 9.580 -9.589 680 HA GLU 100 HA GLU 100 9.703 10.022 -8.171 681 1HB GLU 100 2HB GLU 100 10.311 9.909 -11.132 682 2HB GLU 100 1HB GLU 100 8.728 10.239 -10.443 683 1HG GLU 100 2HG GLU 100 9.852 12.191 -9.244 684 2HG GLU 100 1HG GLU 100 11.195 11.935 -10.356 685 H ASP 101 H ASP 101 11.316 7.459 -8.152 686 HA ASP 101 HA ASP 101 9.524 5.590 -9.473 687 1HB ASP 101 2HB ASP 101 10.978 3.838 -8.374 688 2HB ASP 101 1HB ASP 101 11.776 4.871 -9.553 689 H GLU 102 H GLU 102 9.864 7.130 -6.469 690 HA GLU 102 HA GLU 102 8.168 5.212 -5.082 691 1HB GLU 102 2HB GLU 102 8.222 7.261 -3.367 692 2HB GLU 102 1HB GLU 102 9.505 6.064 -3.442 693 1HG GLU 102 2HG GLU 102 10.992 7.621 -3.925 694 2HG GLU 102 1HG GLU 102 10.041 8.165 -5.307 695 H ARG 103 H ARG 103 7.381 8.335 -4.167 696 HA ARG 103 HA ARG 103 5.386 9.464 -4.259 697 1HB ARG 103 2HB ARG 103 6.682 9.417 -6.881 698 2HB ARG 103 1HB ARG 103 4.970 9.811 -6.958 699 1HG ARG 103 2HG ARG 103 5.354 11.871 -6.244 700 2HG ARG 103 1HG ARG 103 6.217 11.270 -4.827 701 1HD ARG 103 2HD ARG 103 7.696 11.094 -7.361 702 2HD ARG 103 1HD ARG 103 7.349 12.733 -6.812 703 HE ARG 103 HE ARG 103 8.391 11.147 -4.696 704 1HH1 ARG 103 2HH1 ARG 103 9.317 12.960 -7.553 705 2HH1 ARG 103 1HH1 ARG 103 10.986 13.099 -7.073 706 1HH2 ARG 103 2HH2 ARG 103 10.559 11.394 -4.039 707 2HH2 ARG 103 1HH2 ARG 103 11.684 12.245 -5.070 708 H LEU 104 H LEU 104 4.797 6.820 -3.876 709 HA LEU 104 HA LEU 104 2.689 6.191 -5.802 710 1HB LEU 104 2HB LEU 104 4.272 4.581 -3.842 711 2HB LEU 104 1HB LEU 104 2.710 3.991 -4.378 712 HG LEU 104 HG LEU 104 4.591 4.818 -6.509 713 1HD1 LEU 104 1HD1 LEU 104 6.291 3.640 -5.653 714 2HD1 LEU 104 2HD1 LEU 104 5.262 2.814 -4.484 715 3HD1 LEU 104 3HD1 LEU 104 5.350 2.232 -6.147 716 1HD2 LEU 104 1HD2 LEU 104 2.960 2.308 -6.243 717 2HD2 LEU 104 2HD2 LEU 104 2.267 3.833 -6.791 718 3HD2 LEU 104 3HD2 LEU 104 3.565 3.074 -7.710 719 H ILE 105 H ILE 105 2.992 7.768 -2.927 720 HA ILE 105 HA ILE 105 0.693 6.682 -1.592 721 HB ILE 105 HB ILE 105 2.204 9.241 -1.047 722 1HG1 ILE 105 2HG1 ILE 105 2.374 6.451 0.094 723 1HG2 ILE 105 1HG2 ILE 105 -0.176 7.989 0.207 724 2HG2 ILE 105 2HG2 ILE 105 1.044 8.663 1.292 725 3HG2 ILE 105 3HG2 ILE 105 0.281 9.689 0.078 726 1HD1 ILE 105 1HD1 ILE 105 2.532 7.728 2.037 727 2HD1 ILE 105 2HD1 ILE 105 4.196 7.424 1.541 728 3HD1 ILE 105 3HD1 ILE 105 3.458 8.994 1.232 729 H THR 106 H THR 106 -1.023 6.816 -2.929 730 HA THR 106 HA THR 106 -1.929 9.486 -3.751 731 HB THR 106 HB THR 106 -2.873 6.723 -4.572 732 HG1 THR 106 1HG THR 106 -1.711 7.047 -6.374 733 1HG2 THR 106 1HG2 THR 106 -3.821 8.676 -6.367 734 2HG2 THR 106 2HG2 THR 106 -4.219 9.246 -4.747 735 3HG2 THR 106 3HG2 THR 106 -4.766 7.655 -5.279 736 H ARG 107 H ARG 107 -2.535 10.131 -1.670 737 HA ARG 107 HA ARG 107 -4.299 8.417 -0.142 738 1HB ARG 107 2HB ARG 107 -4.051 10.561 1.440 739 2HB ARG 107 1HB ARG 107 -2.840 9.290 1.360 740 1HG ARG 107 2HG ARG 107 -1.571 11.206 1.211 741 2HG ARG 107 1HG ARG 107 -1.769 10.754 -0.484 742 1HD ARG 107 2HD ARG 107 -2.165 13.084 -0.355 743 2HD ARG 107 1HD ARG 107 -3.742 12.315 -0.550 744 HE ARG 107 HE ARG 107 -4.229 12.789 1.721 745 1HH1 ARG 107 2HH1 ARG 107 -1.160 14.115 0.645 746 2HH1 ARG 107 1HH1 ARG 107 -1.049 15.249 1.956 747 1HH2 ARG 107 2HH2 ARG 107 -4.103 14.291 3.414 748 2HH2 ARG 107 1HH2 ARG 107 -2.736 15.377 3.519 749 H LEU 108 H LEU 108 -6.358 8.886 0.521 750 HA LEU 108 HA LEU 108 -7.602 11.335 -0.485 751 1HB LEU 108 2HB LEU 108 -7.981 8.824 -1.689 752 2HB LEU 108 1HB LEU 108 -9.432 9.126 -0.754 753 HG LEU 108 HG LEU 108 -9.841 9.926 -2.954 754 1HD1 LEU 108 1HD1 LEU 108 -10.376 12.209 -2.582 755 2HD1 LEU 108 2HD1 LEU 108 -10.549 11.376 -1.039 756 3HD1 LEU 108 3HD1 LEU 108 -9.126 12.371 -1.350 757 1HD2 LEU 108 1HD2 LEU 108 -8.370 11.002 -4.297 758 2HD2 LEU 108 2HD2 LEU 108 -7.627 11.889 -2.965 759 3HD2 LEU 108 3HD2 LEU 108 -7.200 10.201 -3.248 760 H GLU 109 H GLU 109 -8.077 12.229 1.402 761 HA GLU 109 HA GLU 109 -9.332 10.629 3.504 762 1HB GLU 109 2HB GLU 109 -8.244 13.448 3.509 763 2HB GLU 109 1HB GLU 109 -9.007 12.680 4.894 764 1HG GLU 109 2HG GLU 109 -6.921 12.116 5.456 765 2HG GLU 109 1HG GLU 109 -7.118 10.846 4.249 766 H ASN 110 H ASN 110 -11.237 11.457 4.566 767 HA ASN 110 HA ASN 110 -13.322 12.012 2.807 768 1HB ASN 110 2HB ASN 110 -13.465 11.006 5.143 769 2HB ASN 110 1HB ASN 110 -13.387 12.657 5.753 770 1HD2 ASN 110 1HD2 ASN 110 -15.158 10.682 3.405 771 2HD2 ASN 110 2HD2 ASN 110 -16.696 11.426 3.692 772 H THR 111 H THR 111 -13.452 13.778 1.625 773 HA THR 111 HA THR 111 -13.739 15.942 1.014 774 HB THR 111 HB THR 111 -13.521 16.997 3.802 775 HG1 THR 111 1HG THR 111 -15.436 15.176 2.841 776 1HG2 THR 111 1HG2 THR 111 -14.487 18.778 2.868 777 2HG2 THR 111 2HG2 THR 111 -15.820 17.792 2.268 778 3HG2 THR 111 3HG2 THR 111 -14.355 17.976 1.303 779 H GLN 112 H GLN 112 -11.270 15.350 3.451 780 HA GLN 112 HA GLN 112 -9.081 15.880 3.589 781 1HB GLN 112 2HB GLN 112 -9.639 16.116 0.713 782 2HB GLN 112 1HB GLN 112 -8.236 17.029 1.255 783 1HG GLN 112 2HG GLN 112 -7.631 14.782 2.456 784 2HG GLN 112 1HG GLN 112 -8.703 14.091 1.240 785 1HE2 GLN 112 1HE2 GLN 112 -6.094 16.492 1.421 786 2HE2 GLN 112 2HE2 GLN 112 -5.259 15.934 0.004 787 H PHE 113 H PHE 113 -9.768 18.471 1.312 788 HA PHE 113 HA PHE 113 -8.761 20.455 3.133 789 1HB PHE 113 2HB PHE 113 -10.278 21.092 0.614 790 2HB PHE 113 1HB PHE 113 -8.948 21.976 1.358 791 HD1 PHE 113 1HD PHE 113 -6.646 20.883 1.335 792 HD2 PHE 113 2HD PHE 113 -9.883 19.567 -1.092 793 HE1 PHE 113 1HE PHE 113 -5.057 19.743 -0.157 794 HE2 PHE 113 2HE PHE 113 -8.299 18.422 -2.587 795 HZ PHE 113 HZ PHE 113 -5.885 18.511 -2.122 796 H ASP 114 H ASP 114 -9.930 21.009 4.813 797 HA ASP 114 HA ASP 114 -11.655 21.610 6.160 798 1HB ASP 114 2HB ASP 114 -12.145 23.342 4.435 799 2HB ASP 114 1HB ASP 114 -13.201 22.192 3.622 800 H ALA 115 H ALA 115 -11.371 19.167 6.250 801 HA ALA 115 HA ALA 115 -13.124 17.405 5.010 802 1HB ALA 115 1HB ALA 115 -12.202 16.720 7.736 803 2HB ALA 115 2HB ALA 115 -12.116 15.789 6.242 804 3HB ALA 115 3HB ALA 115 -10.962 17.089 6.539 805 H ALA 116 H ALA 116 -15.157 16.759 5.362 806 HA ALA 116 HA ALA 116 -16.752 18.089 7.378 807 1HB ALA 116 1HB ALA 116 -17.302 16.232 5.110 808 2HB ALA 116 2HB ALA 116 -18.497 16.382 6.397 809 3HB ALA 116 3HB ALA 116 -18.010 17.804 5.476 810 H ASN 117 H ASN 117 -15.616 14.835 6.642 811 HA ASN 117 HA ASN 117 -15.322 12.965 7.877 812 1HB ASN 117 2HB ASN 117 -13.956 14.800 9.122 813 2HB ASN 117 1HB ASN 117 -15.202 14.640 10.357 814 1HD2 ASN 117 1HD2 ASN 117 -13.315 13.987 11.640 815 2HD2 ASN 117 2HD2 ASN 117 -12.852 12.311 11.613 816 H GLY 118 H GLY 118 -17.977 13.491 7.373 817 1HA GLY 118 1HA GLY 118 -19.380 12.867 9.880 818 2HA GLY 118 2HA GLY 118 -20.143 13.291 8.352 819 H ILE 119 H ILE 119 -17.731 10.878 9.306 820 HA ILE 119 HA ILE 119 -17.627 8.620 9.105 821 HB ILE 119 HB ILE 119 -20.559 8.692 8.367 822 1HG1 ILE 119 2HG1 ILE 119 -19.660 7.625 10.977 823 1HG2 ILE 119 1HG2 ILE 119 -20.383 6.529 7.916 824 2HG2 ILE 119 2HG2 ILE 119 -18.644 6.610 8.193 825 3HG2 ILE 119 3HG2 ILE 119 -19.735 6.231 9.528 826 1HD1 ILE 119 1HD1 ILE 119 -21.749 8.024 11.591 827 2HD1 ILE 119 2HD1 ILE 119 -21.690 9.685 11.002 828 3HD1 ILE 119 3HD1 ILE 119 -22.082 8.370 9.894 829 H ASP 120 H ASP 120 -19.802 9.827 6.539 830 HA ASP 120 HA ASP 120 -17.769 8.979 4.600 831 1HB ASP 120 2HB ASP 120 -19.993 7.526 4.746 832 2HB ASP 120 1HB ASP 120 -20.635 8.845 3.772 833 H ASP 121 H ASP 121 -18.278 10.077 2.415 834 HA ASP 121 HA ASP 121 -18.404 12.911 2.972 835 1HB ASP 121 2HB ASP 121 -16.946 11.453 1.216 836 2HB ASP 121 1HB ASP 121 -18.249 11.993 0.163 837 H GLU 122 H GLU 122 -20.511 13.374 3.487 838 HA GLU 122 HA GLU 122 -22.589 12.724 1.524 839 1HB GLU 122 2HB GLU 122 -22.632 12.445 4.203 840 2HB GLU 122 1HB GLU 122 -23.275 14.076 4.072 841 1HG GLU 122 2HG GLU 122 -25.051 12.420 4.155 842 2HG GLU 122 1HG GLU 122 -25.051 13.288 2.620 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -24.841 5.926 -0.160 2 2H GLY 1 2H GLY 1 -25.171 5.398 -1.736 3 3H GLY 1 3H GLY 1 -23.568 5.597 -1.231 4 1HA GLY 1 2HA GLY 1 -24.009 3.851 0.500 5 2HA GLY 1 1HA GLY 1 -25.504 3.533 -0.367 6 H SER 2 H SER 2 -24.728 1.397 -0.735 7 HA SER 2 HA SER 2 -23.720 -0.274 -1.890 8 1HB SER 2 2HB SER 2 -23.421 1.708 -4.145 9 2HB SER 2 1HB SER 2 -23.724 -0.030 -4.242 10 HG SER 2 HG SER 2 -25.767 0.481 -3.120 11 H LEU 3 H LEU 3 -21.853 1.657 -3.993 12 HA LEU 3 HA LEU 3 -19.664 2.112 -4.233 13 1HB LEU 3 2HB LEU 3 -20.206 2.784 -1.627 14 2HB LEU 3 1HB LEU 3 -18.843 1.694 -1.454 15 HG LEU 3 HG LEU 3 -18.387 3.652 -3.549 16 1HD1 LEU 3 1HD1 LEU 3 -18.005 5.276 -1.350 17 2HD1 LEU 3 2HD1 LEU 3 -19.255 5.456 -2.580 18 3HD1 LEU 3 3HD1 LEU 3 -19.607 4.583 -1.088 19 1HD2 LEU 3 1HD2 LEU 3 -16.485 4.053 -1.680 20 2HD2 LEU 3 2HD2 LEU 3 -17.006 2.422 -1.259 21 3HD2 LEU 3 3HD2 LEU 3 -16.425 2.770 -2.886 22 H SER 4 H SER 4 -17.877 1.029 -4.812 23 HA SER 4 HA SER 4 -17.768 -1.817 -4.452 24 1HB SER 4 2HB SER 4 -15.430 -0.174 -5.383 25 2HB SER 4 1HB SER 4 -15.948 -1.772 -5.918 26 HG SER 4 HG SER 4 -17.939 -0.386 -6.598 27 H TRP 5 H TRP 5 -17.010 -2.814 -2.715 28 HA TRP 5 HA TRP 5 -16.167 -1.403 -0.494 29 1HB TRP 5 2HB TRP 5 -16.115 -3.409 0.639 30 2HB TRP 5 1HB TRP 5 -17.153 -3.810 -0.719 31 HD1 TRP 5 HD TRP 5 -15.645 -5.012 -2.876 32 HE1 TRP 5 1HE TRP 5 -13.942 -6.927 -2.630 33 HE3 TRP 5 3HE TRP 5 -14.523 -4.471 2.082 34 HZ2 TRP 5 2HZ TRP 5 -12.334 -8.053 -0.608 35 HZ3 TRP 5 3HZ TRP 5 -12.888 -6.006 3.093 36 HH2 TRP 5 HH TRP 5 -11.816 -7.758 1.773 37 H LYS 6 H LYS 6 -14.344 -0.624 0.196 38 HA LYS 6 HA LYS 6 -11.962 -0.942 -1.417 39 1HB LYS 6 2HB LYS 6 -13.033 1.023 0.439 40 2HB LYS 6 1HB LYS 6 -11.348 0.661 0.787 41 1HG LYS 6 2HG LYS 6 -10.762 2.055 -0.822 42 2HG LYS 6 1HG LYS 6 -11.513 0.969 -1.994 43 1HD LYS 6 2HD LYS 6 -13.061 2.503 -2.428 44 2HD LYS 6 1HD LYS 6 -13.570 2.481 -0.739 45 1HE LYS 6 2HE LYS 6 -12.249 4.288 -0.177 46 2HE LYS 6 1HE LYS 6 -11.138 4.025 -1.520 47 1HZ LYS 6 1HZ LYS 6 -13.750 5.375 -1.500 48 2HZ LYS 6 2HZ LYS 6 -13.235 4.617 -2.929 49 3HZ LYS 6 3HZ LYS 6 -12.298 5.846 -2.237 50 H ARG 7 H ARG 7 -10.578 -2.534 -1.009 51 HA ARG 7 HA ARG 7 -10.559 -3.688 1.681 52 1HB ARG 7 2HB ARG 7 -10.413 -5.687 0.683 53 2HB ARG 7 1HB ARG 7 -10.753 -4.850 -0.822 54 1HG ARG 7 2HG ARG 7 -8.872 -5.806 -1.530 55 2HG ARG 7 1HG ARG 7 -8.060 -4.528 -0.626 56 1HD ARG 7 2HD ARG 7 -7.847 -7.306 -0.256 57 2HD ARG 7 1HD ARG 7 -7.135 -6.024 0.722 58 HE ARG 7 HE ARG 7 -9.457 -6.126 1.890 59 1HH1 ARG 7 2HH1 ARG 7 -7.574 -8.805 0.665 60 2HH1 ARG 7 1HH1 ARG 7 -8.261 -9.965 1.768 61 1HH2 ARG 7 2HH2 ARG 7 -10.386 -7.662 3.348 62 2HH2 ARG 7 1HH2 ARG 7 -9.821 -9.304 3.312 63 H CYS 8 H CYS 8 -8.773 -3.861 2.905 64 HA CYS 8 HA CYS 8 -6.556 -2.131 2.230 65 1HB CYS 8 2HB CYS 8 -6.957 -1.677 4.400 66 2HB CYS 8 1HB CYS 8 -7.808 -3.193 4.654 67 H ALA 9 H ALA 9 -4.449 -2.740 1.965 68 HA ALA 9 HA ALA 9 -4.021 -5.599 1.486 69 1HB ALA 9 1HB ALA 9 -2.027 -3.554 0.661 70 2HB ALA 9 2HB ALA 9 -2.523 -5.042 -0.144 71 3HB ALA 9 3HB ALA 9 -3.566 -3.621 -0.197 72 H GLY 10 H GLY 10 -3.682 -3.755 4.069 73 1HA GLY 10 1HA GLY 10 -0.995 -4.785 4.758 74 2HA GLY 10 2HA GLY 10 -1.754 -3.394 5.521 75 H CYS 11 H CYS 11 -3.912 -3.925 6.577 76 HA CYS 11 HA CYS 11 -3.603 -6.358 8.119 77 1HB CYS 11 2HB CYS 11 -5.886 -5.054 9.068 78 2HB CYS 11 1HB CYS 11 -4.326 -5.223 9.844 79 H GLY 12 H GLY 12 -5.134 -5.404 5.365 80 1HA GLY 12 1HA GLY 12 -6.539 -6.546 3.971 81 2HA GLY 12 2HA GLY 12 -6.216 -7.948 4.977 82 H GLY 13 H GLY 13 -8.063 -4.895 5.277 83 1HA GLY 13 1HA GLY 13 -10.373 -6.545 5.960 84 2HA GLY 13 2HA GLY 13 -9.957 -5.153 6.953 85 H LYS 14 H LYS 14 -12.032 -4.411 6.418 86 HA LYS 14 HA LYS 14 -12.379 -3.373 3.700 87 1HB LYS 14 2HB LYS 14 -14.245 -4.707 4.565 88 2HB LYS 14 1HB LYS 14 -14.381 -3.638 5.956 89 1HG LYS 14 2HG LYS 14 -15.364 -1.966 4.750 90 2HG LYS 14 1HG LYS 14 -14.595 -2.451 3.239 91 1HD LYS 14 2HD LYS 14 -16.068 -4.380 3.086 92 2HD LYS 14 1HD LYS 14 -16.811 -3.953 4.629 93 1HE LYS 14 2HE LYS 14 -17.105 -1.634 3.246 94 2HE LYS 14 1HE LYS 14 -17.227 -2.821 1.947 95 1HZ LYS 14 1HZ LYS 14 -18.881 -3.980 3.497 96 2HZ LYS 14 2HZ LYS 14 -19.396 -2.579 2.685 97 3HZ LYS 14 3HZ LYS 14 -18.950 -2.496 4.320 98 H ILE 15 H ILE 15 -11.827 -1.345 3.364 99 HA ILE 15 HA ILE 15 -11.710 0.511 5.630 100 HB ILE 15 HB ILE 15 -10.833 1.504 3.018 101 1HG1 ILE 15 2HG1 ILE 15 -9.087 -0.579 4.325 102 1HG2 ILE 15 1HG2 ILE 15 -8.845 1.498 5.086 103 2HG2 ILE 15 2HG2 ILE 15 -9.690 2.860 4.347 104 3HG2 ILE 15 3HG2 ILE 15 -10.398 2.031 5.734 105 1HD1 ILE 15 1HD1 ILE 15 -8.135 -0.669 2.011 106 2HD1 ILE 15 2HD1 ILE 15 -9.076 0.778 1.652 107 3HD1 ILE 15 3HD1 ILE 15 -7.834 0.820 2.902 108 H ALA 16 H ALA 16 -13.853 1.049 5.880 109 HA ALA 16 HA ALA 16 -15.240 2.267 3.588 110 1HB ALA 16 1HB ALA 16 -16.714 2.241 6.089 111 2HB ALA 16 2HB ALA 16 -17.152 1.581 4.515 112 3HB ALA 16 3HB ALA 16 -16.166 0.632 5.624 113 H ASP 17 H ASP 17 -12.932 3.371 4.973 114 HA ASP 17 HA ASP 17 -14.028 5.684 6.381 115 1HB ASP 17 2HB ASP 17 -11.406 4.278 6.349 116 2HB ASP 17 1HB ASP 17 -11.367 6.018 6.599 117 H ARG 18 H ARG 18 -13.401 7.797 5.828 118 HA ARG 18 HA ARG 18 -13.063 8.249 2.984 119 1HB ARG 18 2HB ARG 18 -14.551 9.683 4.343 120 2HB ARG 18 1HB ARG 18 -13.171 10.194 5.306 121 1HG ARG 18 2HG ARG 18 -12.561 11.725 3.808 122 2HG ARG 18 1HG ARG 18 -12.776 10.611 2.457 123 1HD ARG 18 2HD ARG 18 -15.289 11.444 3.684 124 2HD ARG 18 1HD ARG 18 -14.367 12.780 2.998 125 HE ARG 18 HE ARG 18 -14.696 11.916 0.877 126 1HH1 ARG 18 2HH1 ARG 18 -15.919 9.676 3.290 127 2HH1 ARG 18 1HH1 ARG 18 -16.632 8.611 2.118 128 1HH2 ARG 18 2HH2 ARG 18 -15.661 10.556 -0.643 129 2HH2 ARG 18 1HH2 ARG 18 -16.472 9.102 -0.125 130 H PHE 19 H PHE 19 -11.234 8.401 5.916 131 HA PHE 19 HA PHE 19 -8.890 9.579 4.662 132 1HB PHE 19 2HB PHE 19 -8.778 8.433 7.397 133 2HB PHE 19 1HB PHE 19 -8.126 9.951 6.805 134 HD1 PHE 19 1HD PHE 19 -10.518 8.507 8.894 135 HD2 PHE 19 2HD PHE 19 -10.013 11.716 6.160 136 HE1 PHE 19 1HE PHE 19 -12.389 9.709 9.952 137 HE2 PHE 19 2HE PHE 19 -11.876 12.918 7.191 138 HZ PHE 19 HZ PHE 19 -13.073 11.916 9.103 139 H LEU 20 H LEU 20 -7.980 8.055 3.215 140 HA LEU 20 HA LEU 20 -6.735 5.788 4.439 141 1HB LEU 20 2HB LEU 20 -7.830 3.985 3.405 142 2HB LEU 20 1HB LEU 20 -9.078 4.967 4.127 143 HG LEU 20 HG LEU 20 -10.084 4.410 2.162 144 1HD1 LEU 20 1HD1 LEU 20 -9.322 7.013 2.258 145 2HD1 LEU 20 2HD1 LEU 20 -8.766 6.529 0.653 146 3HD1 LEU 20 3HD1 LEU 20 -10.462 6.325 1.100 147 1HD2 LEU 20 1HD2 LEU 20 -8.947 3.182 0.728 148 2HD2 LEU 20 2HD2 LEU 20 -8.289 4.666 0.041 149 3HD2 LEU 20 3HD2 LEU 20 -7.414 3.823 1.320 150 H LEU 21 H LEU 21 -5.369 4.566 2.939 151 HA LEU 21 HA LEU 21 -4.487 6.371 0.796 152 1HB LEU 21 2HB LEU 21 -3.066 5.527 2.917 153 2HB LEU 21 1HB LEU 21 -2.687 4.243 1.783 154 HG LEU 21 HG LEU 21 -2.422 6.903 0.608 155 1HD1 LEU 21 1HD1 LEU 21 -1.429 7.914 2.327 156 2HD1 LEU 21 2HD1 LEU 21 -1.285 6.413 3.242 157 3HD1 LEU 21 3HD1 LEU 21 -0.073 6.824 2.027 158 1HD2 LEU 21 1HD2 LEU 21 -0.114 5.104 0.840 159 2HD2 LEU 21 2HD2 LEU 21 -1.535 4.394 0.074 160 3HD2 LEU 21 3HD2 LEU 21 -0.823 5.869 -0.582 161 H TYR 22 H TYR 22 -3.607 5.464 -1.123 162 HA TYR 22 HA TYR 22 -4.451 2.715 -1.726 163 1HB TYR 22 2HB TYR 22 -4.626 4.687 -3.942 164 2HB TYR 22 1HB TYR 22 -5.586 3.253 -3.644 165 HD1 TYR 22 1HD TYR 22 -7.807 3.627 -3.347 166 HD2 TYR 22 2HD TYR 22 -5.083 6.586 -1.956 167 HE1 TYR 22 1HE TYR 22 -9.696 5.050 -2.660 168 HE2 TYR 22 2HE TYR 22 -6.956 7.999 -1.235 169 HH TYR 22 HH TYR 22 -9.150 8.252 -1.189 170 H ALA 23 H ALA 23 -2.908 1.555 -2.753 171 HA ALA 23 HA ALA 23 -0.884 2.873 -4.326 172 1HB ALA 23 1HB ALA 23 0.036 3.073 -2.049 173 2HB ALA 23 2HB ALA 23 -0.035 1.320 -1.882 174 3HB ALA 23 3HB ALA 23 1.031 2.048 -3.082 175 H MET 24 H MET 24 -0.196 1.609 -5.939 176 HA MET 24 HA MET 24 0.073 -0.175 -7.324 177 1HB MET 24 2HB MET 24 0.065 -1.629 -4.685 178 2HB MET 24 1HB MET 24 0.241 -2.479 -6.212 179 1HG MET 24 2HG MET 24 2.071 -0.341 -5.150 180 2HG MET 24 1HG MET 24 2.393 -2.073 -5.175 181 1HE MET 24 1HE MET 24 3.286 -2.908 -8.732 182 2HE MET 24 2HE MET 24 3.818 -3.130 -7.069 183 3HE MET 24 3HE MET 24 2.137 -3.438 -7.502 184 H ASP 25 H ASP 25 -2.517 0.872 -6.859 185 HA ASP 25 HA ASP 25 -4.709 0.499 -7.255 186 1HB ASP 25 2HB ASP 25 -3.363 -1.572 -8.826 187 2HB ASP 25 1HB ASP 25 -5.017 -1.990 -8.388 188 H SER 26 H SER 26 -3.353 -0.478 -4.828 189 HA SER 26 HA SER 26 -5.555 -2.162 -3.873 190 1HB SER 26 2HB SER 26 -2.943 -2.325 -2.449 191 2HB SER 26 1HB SER 26 -4.167 -3.571 -2.694 192 HG SER 26 HG SER 26 -2.950 -2.733 -5.012 193 H TYR 27 H TYR 27 -6.351 -1.588 -1.860 194 HA TYR 27 HA TYR 27 -5.617 1.137 -1.123 195 1HB TYR 27 2HB TYR 27 -8.105 -0.323 -0.266 196 2HB TYR 27 1HB TYR 27 -7.826 1.415 -0.335 197 HD1 TYR 27 1HD TYR 27 -6.794 1.916 -2.967 198 HD2 TYR 27 2HD TYR 27 -9.772 -0.882 -1.769 199 HE1 TYR 27 1HE TYR 27 -7.764 1.986 -5.225 200 HE2 TYR 27 2HE TYR 27 -10.749 -0.819 -4.026 201 HH TYR 27 HH TYR 27 -9.211 0.281 -6.665 202 H TRP 28 H TRP 28 -5.706 1.734 1.132 203 HA TRP 28 HA TRP 28 -4.931 -0.389 3.002 204 1HB TRP 28 2HB TRP 28 -3.328 2.160 2.653 205 2HB TRP 28 1HB TRP 28 -2.920 0.779 3.654 206 HD1 TRP 28 HD TRP 28 -3.215 1.653 -0.121 207 HE1 TRP 28 1HE TRP 28 -1.482 0.240 -1.399 208 HE3 TRP 28 3HE TRP 28 -1.397 -1.129 3.764 209 HZ2 TRP 28 2HZ TRP 28 0.409 -1.769 -0.833 210 HZ3 TRP 28 3HZ TRP 28 0.376 -2.769 3.314 211 HH2 TRP 28 HH TRP 28 1.267 -3.075 1.064 212 H HIS 29 H HIS 29 -4.721 0.554 5.248 213 HA HIS 29 HA HIS 29 -6.835 2.527 5.754 214 1HB HIS 29 2HB HIS 29 -5.190 0.761 7.591 215 2HB HIS 29 1HB HIS 29 -6.248 2.029 8.188 216 HD2 HIS 29 2HD HIS 29 -9.029 1.554 7.708 217 HE1 HIS 29 1HE HIS 29 -8.411 -2.623 7.351 218 HE2 HIS 29 2HE HIS 29 -10.095 -0.803 7.934 219 H SER 30 H SER 30 -4.821 2.807 8.249 220 HA SER 30 HA SER 30 -3.211 4.938 7.018 221 1HB SER 30 2HB SER 30 -4.518 4.659 9.686 222 2HB SER 30 1HB SER 30 -3.009 5.569 9.591 223 HG SER 30 HG SER 30 -5.476 6.079 8.290 224 H ARG 31 H ARG 31 -3.195 2.251 9.316 225 HA ARG 31 HA ARG 31 -0.323 2.525 9.687 226 1HB ARG 31 2HB ARG 31 -2.311 2.066 11.438 227 2HB ARG 31 1HB ARG 31 -1.833 0.407 11.106 228 1HG ARG 31 2HG ARG 31 0.444 2.140 11.622 229 2HG ARG 31 1HG ARG 31 -0.703 2.097 12.963 230 1HD ARG 31 2HD ARG 31 -0.355 -0.551 11.976 231 2HD ARG 31 1HD ARG 31 1.237 0.161 12.237 232 HE ARG 31 HE ARG 31 0.729 0.407 14.529 233 1HH1 ARG 31 2HH1 ARG 31 -1.798 -1.196 12.728 234 2HH1 ARG 31 1HH1 ARG 31 -2.565 -1.875 14.127 235 1HH2 ARG 31 2HH2 ARG 31 -0.265 -0.473 16.401 236 2HH2 ARG 31 1HH2 ARG 31 -1.709 -1.437 16.232 237 H CYS 32 H CYS 32 -2.104 0.828 7.487 238 HA CYS 32 HA CYS 32 -0.843 -1.728 7.747 239 1HB CYS 32 2HB CYS 32 -1.933 -1.126 5.118 240 2HB CYS 32 1HB CYS 32 -2.398 -2.370 6.273 241 H LEU 33 H LEU 33 -0.433 1.022 5.538 242 HA LEU 33 HA LEU 33 1.950 -0.259 4.446 243 1HB LEU 33 2HB LEU 33 1.611 0.891 2.562 244 2HB LEU 33 1HB LEU 33 0.013 1.194 3.209 245 HG LEU 33 HG LEU 33 1.815 3.198 4.184 246 1HD1 LEU 33 1HD1 LEU 33 1.819 4.049 1.569 247 2HD1 LEU 33 2HD1 LEU 33 3.212 3.420 2.451 248 3HD1 LEU 33 3HD1 LEU 33 2.253 2.346 1.432 249 1HD2 LEU 33 1HD2 LEU 33 -0.586 3.436 4.059 250 2HD2 LEU 33 2HD2 LEU 33 0.191 4.666 3.060 251 3HD2 LEU 33 3HD2 LEU 33 -0.536 3.248 2.303 252 H LYS 34 H LYS 34 3.839 0.130 5.205 253 HA LYS 34 HA LYS 34 4.724 2.671 6.196 254 1HB LYS 34 2HB LYS 34 4.874 2.205 8.486 255 2HB LYS 34 1HB LYS 34 3.294 1.562 8.066 256 1HG LYS 34 2HG LYS 34 5.612 -0.290 7.953 257 2HG LYS 34 1HG LYS 34 5.023 0.207 9.539 258 1HD LYS 34 2HD LYS 34 3.373 -1.273 9.389 259 2HD LYS 34 1HD LYS 34 2.771 -0.458 7.944 260 1HE LYS 34 2HE LYS 34 4.129 -1.812 6.525 261 2HE LYS 34 1HE LYS 34 4.986 -2.498 7.905 262 1HZ LYS 34 1HZ LYS 34 2.981 -3.604 8.599 263 2HZ LYS 34 2HZ LYS 34 3.304 -4.002 6.982 264 3HZ LYS 34 3HZ LYS 34 2.091 -2.877 7.350 265 H CYS 35 H CYS 35 6.992 2.443 7.031 266 HA CYS 35 HA CYS 35 8.525 0.961 5.213 267 1HB CYS 35 2HB CYS 35 9.320 3.001 6.366 268 2HB CYS 35 1HB CYS 35 9.386 2.097 7.879 269 H SER 36 H SER 36 9.651 -0.939 5.422 270 HA SER 36 HA SER 36 8.547 -2.911 7.139 271 1HB SER 36 2HB SER 36 11.176 -3.467 5.911 272 2HB SER 36 1HB SER 36 9.673 -4.390 5.835 273 HG SER 36 HG SER 36 9.005 -2.427 4.464 274 H SER 37 H SER 37 11.195 -0.691 7.409 275 HA SER 37 HA SER 37 12.155 -2.114 9.795 276 1HB SER 37 2HB SER 37 13.692 0.172 8.688 277 2HB SER 37 1HB SER 37 14.264 -1.337 9.397 278 HG SER 37 HG SER 37 14.334 -0.852 6.929 279 H CYS 38 H CYS 38 11.282 1.168 8.660 280 HA CYS 38 HA CYS 38 11.587 2.334 11.252 281 1HB CYS 38 2HB CYS 38 10.113 3.318 8.802 282 2HB CYS 38 1HB CYS 38 10.338 4.266 10.267 283 H GLN 39 H GLN 39 8.898 1.041 9.406 284 HA GLN 39 HA GLN 39 6.785 0.439 9.945 285 1HB GLN 39 2HB GLN 39 7.923 0.461 12.743 286 2HB GLN 39 1HB GLN 39 6.316 -0.123 12.339 287 1HG GLN 39 2HG GLN 39 8.768 -1.240 11.031 288 2HG GLN 39 1HG GLN 39 8.182 -1.841 12.583 289 1HE2 GLN 39 1HE2 GLN 39 8.349 -2.953 9.767 290 2HE2 GLN 39 2HE2 GLN 39 6.766 -3.597 9.475 291 H ALA 40 H ALA 40 7.613 3.282 9.842 292 HA ALA 40 HA ALA 40 5.595 4.510 11.540 293 1HB ALA 40 1HB ALA 40 6.749 6.489 11.415 294 2HB ALA 40 2HB ALA 40 8.081 5.334 11.305 295 3HB ALA 40 3HB ALA 40 7.456 6.101 9.843 296 H GLN 41 H GLN 41 4.220 6.030 10.585 297 HA GLN 41 HA GLN 41 2.860 5.082 8.318 298 1HB GLN 41 2HB GLN 41 2.262 6.802 10.348 299 2HB GLN 41 1HB GLN 41 2.445 7.922 9.003 300 1HG GLN 41 2HG GLN 41 0.901 6.127 7.811 301 2HG GLN 41 1HG GLN 41 0.407 5.829 9.476 302 1HE2 GLN 41 1HE2 GLN 41 -0.556 7.327 6.858 303 2HE2 GLN 41 2HE2 GLN 41 -1.314 8.741 7.524 304 H LEU 42 H LEU 42 3.874 5.017 6.409 305 HA LEU 42 HA LEU 42 5.781 6.915 5.555 306 1HB LEU 42 2HB LEU 42 4.461 4.529 4.398 307 2HB LEU 42 1HB LEU 42 5.145 5.668 3.254 308 HG LEU 42 HG LEU 42 6.519 3.924 5.248 309 1HD1 LEU 42 1HD1 LEU 42 7.540 4.702 2.562 310 2HD1 LEU 42 2HD1 LEU 42 7.724 3.187 3.445 311 3HD1 LEU 42 3HD1 LEU 42 6.184 3.580 2.681 312 1HD2 LEU 42 1HD2 LEU 42 7.622 5.776 5.986 313 2HD2 LEU 42 2HD2 LEU 42 8.586 5.430 4.550 314 3HD2 LEU 42 3HD2 LEU 42 7.340 6.676 4.495 315 H GLY 43 H GLY 43 2.530 7.310 5.776 316 1HA GLY 43 1HA GLY 43 2.450 9.137 3.460 317 2HA GLY 43 2HA GLY 43 1.028 8.428 4.215 318 H ASP 44 H ASP 44 3.248 9.252 6.559 319 HA ASP 44 HA ASP 44 1.775 11.741 7.124 320 1HB ASP 44 2HB ASP 44 1.438 9.948 8.773 321 2HB ASP 44 1HB ASP 44 3.177 9.868 9.044 322 H ILE 45 H ILE 45 4.948 10.271 7.805 323 HA ILE 45 HA ILE 45 6.173 12.862 8.137 324 HB ILE 45 HB ILE 45 8.301 11.358 8.269 325 1HG1 ILE 45 2HG1 ILE 45 6.495 9.191 9.152 326 1HG2 ILE 45 1HG2 ILE 45 7.794 10.855 10.625 327 2HG2 ILE 45 2HG2 ILE 45 7.329 12.494 10.167 328 3HG2 ILE 45 3HG2 ILE 45 6.098 11.240 10.323 329 1HD1 ILE 45 1HD1 ILE 45 9.233 9.487 8.345 330 2HD1 ILE 45 2HD1 ILE 45 8.444 8.152 9.188 331 3HD1 ILE 45 3HD1 ILE 45 8.445 8.207 7.425 332 H GLY 46 H GLY 46 5.156 12.825 5.664 333 1HA GLY 46 1HA GLY 46 6.127 13.687 3.637 334 2HA GLY 46 2HA GLY 46 7.541 12.682 3.938 335 H THR 47 H THR 47 4.704 12.940 2.195 336 HA THR 47 HA THR 47 3.971 10.187 2.170 337 HB THR 47 HB THR 47 2.991 11.581 -0.143 338 HG1 THR 47 1HG THR 47 2.234 13.435 0.762 339 1HG2 THR 47 1HG2 THR 47 0.871 11.448 1.467 340 2HG2 THR 47 2HG2 THR 47 1.926 10.331 2.334 341 3HG2 THR 47 3HG2 THR 47 1.512 10.025 0.646 342 H SER 48 H SER 48 5.356 8.757 1.390 343 HA SER 48 HA SER 48 5.983 8.776 -1.422 344 1HB SER 48 2HB SER 48 8.497 8.181 -0.312 345 2HB SER 48 1HB SER 48 8.069 9.616 -1.244 346 HG SER 48 HG SER 48 7.281 9.775 1.372 347 H SER 49 H SER 49 6.869 6.662 -2.093 348 HA SER 49 HA SER 49 6.735 4.549 -0.098 349 1HB SER 49 2HB SER 49 5.183 3.450 -2.076 350 2HB SER 49 1HB SER 49 4.555 4.170 -0.592 351 HG SER 49 HG SER 49 4.030 5.973 -1.661 352 H TYR 50 H TYR 50 7.547 2.536 -0.843 353 HA TYR 50 HA TYR 50 8.898 2.575 -3.434 354 1HB TYR 50 2HB TYR 50 10.153 2.355 -0.749 355 2HB TYR 50 1HB TYR 50 10.772 1.297 -2.015 356 HD1 TYR 50 1HD TYR 50 11.497 4.188 -0.436 357 HD2 TYR 50 2HD TYR 50 10.848 2.775 -4.393 358 HE1 TYR 50 1HE TYR 50 12.865 6.026 -1.309 359 HE2 TYR 50 2HE TYR 50 12.218 4.615 -5.277 360 HH TYR 50 HH TYR 50 13.103 6.690 -4.726 361 H THR 51 H THR 51 7.824 1.007 -4.416 362 HA THR 51 HA THR 51 7.112 -1.406 -2.932 363 HB THR 51 HB THR 51 6.313 -1.167 -5.759 364 HG1 THR 51 1HG THR 51 6.100 1.007 -5.065 365 1HG2 THR 51 1HG2 THR 51 5.592 -2.824 -3.838 366 2HG2 THR 51 2HG2 THR 51 4.431 -2.290 -5.055 367 3HG2 THR 51 3HG2 THR 51 4.448 -1.535 -3.461 368 H LYS 52 H LYS 52 8.790 -2.758 -2.865 369 HA LYS 52 HA LYS 52 9.614 -3.990 -5.333 370 1HB LYS 52 2HB LYS 52 11.276 -1.998 -4.137 371 2HB LYS 52 1HB LYS 52 12.055 -3.562 -3.926 372 1HG LYS 52 2HG LYS 52 12.403 -3.851 -6.155 373 2HG LYS 52 1HG LYS 52 10.975 -2.920 -6.612 374 1HD LYS 52 2HD LYS 52 12.138 -0.854 -5.948 375 2HD LYS 52 1HD LYS 52 13.576 -1.803 -5.565 376 1HE LYS 52 2HE LYS 52 13.982 -2.318 -7.790 377 2HE LYS 52 1HE LYS 52 12.323 -1.972 -8.275 378 1HZ LYS 52 1HZ LYS 52 12.696 0.301 -8.238 379 2HZ LYS 52 2HZ LYS 52 14.150 -0.304 -8.873 380 3HZ LYS 52 3HZ LYS 52 14.073 0.173 -7.248 381 H SER 53 H SER 53 10.131 -6.108 -5.027 382 HA SER 53 HA SER 53 10.304 -8.131 -3.995 383 1HB SER 53 2HB SER 53 11.298 -6.546 -1.614 384 2HB SER 53 1HB SER 53 11.512 -8.278 -1.881 385 HG SER 53 HG SER 53 12.384 -6.709 -3.970 386 H GLY 54 H GLY 54 7.854 -6.490 -3.797 387 1HA GLY 54 1HA GLY 54 5.770 -6.687 -2.838 388 2HA GLY 54 2HA GLY 54 6.357 -8.132 -2.026 389 H MET 55 H MET 55 8.183 -5.293 -1.545 390 HA MET 55 HA MET 55 7.061 -5.054 1.163 391 1HB MET 55 2HB MET 55 9.781 -5.338 0.176 392 2HB MET 55 1HB MET 55 9.606 -3.917 1.194 393 1HG MET 55 2HG MET 55 8.690 -5.305 2.978 394 2HG MET 55 1HG MET 55 8.857 -6.729 1.958 395 1HE MET 55 1HE MET 55 12.694 -5.318 1.278 396 2HE MET 55 2HE MET 55 12.280 -7.019 1.088 397 3HE MET 55 3HE MET 55 11.223 -5.774 0.418 398 H ILE 56 H ILE 56 7.624 -2.891 2.160 399 HA ILE 56 HA ILE 56 7.510 -0.685 0.249 400 HB ILE 56 HB ILE 56 5.417 -1.364 2.270 401 1HG1 ILE 56 2HG1 ILE 56 4.414 0.256 0.213 402 1HG2 ILE 56 1HG2 ILE 56 6.481 0.840 2.970 403 2HG2 ILE 56 2HG2 ILE 56 5.822 1.502 1.474 404 3HG2 ILE 56 3HG2 ILE 56 4.738 0.838 2.697 405 1HD1 ILE 56 1HD1 ILE 56 3.642 -2.033 1.266 406 2HD1 ILE 56 2HD1 ILE 56 3.108 -1.510 -0.330 407 3HD1 ILE 56 3HD1 ILE 56 4.422 -2.675 -0.178 408 H LEU 57 H LEU 57 9.155 0.583 0.729 409 HA LEU 57 HA LEU 57 10.032 0.799 3.538 410 1HB LEU 57 2HB LEU 57 11.771 0.682 1.070 411 2HB LEU 57 1HB LEU 57 12.345 0.893 2.712 412 HG LEU 57 HG LEU 57 10.732 -1.492 2.498 413 1HD1 LEU 57 1HD1 LEU 57 13.083 -2.259 1.125 414 2HD1 LEU 57 2HD1 LEU 57 11.409 -2.393 0.591 415 3HD1 LEU 57 3HD1 LEU 57 12.340 -0.942 0.218 416 1HD2 LEU 57 1HD2 LEU 57 13.656 -1.513 3.008 417 2HD2 LEU 57 2HD2 LEU 57 12.620 -0.643 4.138 418 3HD2 LEU 57 3HD2 LEU 57 12.355 -2.360 3.841 419 H CYS 58 H CYS 58 11.539 2.688 3.860 420 HA CYS 58 HA CYS 58 10.376 5.063 2.649 421 1HB CYS 58 2HB CYS 58 11.551 6.302 4.367 422 2HB CYS 58 1HB CYS 58 10.719 4.945 5.114 423 H ARG 59 H ARG 59 12.217 6.875 2.371 424 HA ARG 59 HA ARG 59 13.709 6.132 0.095 425 1HB ARG 59 2HB ARG 59 13.044 8.516 1.356 426 2HB ARG 59 1HB ARG 59 14.792 8.445 1.511 427 1HG ARG 59 2HG ARG 59 13.113 8.659 -0.938 428 2HG ARG 59 1HG ARG 59 14.550 9.570 -0.473 429 1HD ARG 59 2HD ARG 59 15.190 6.786 -0.757 430 2HD ARG 59 1HD ARG 59 14.380 7.368 -2.209 431 HE ARG 59 HE ARG 59 16.632 8.917 -1.152 432 1HH1 ARG 59 2HH1 ARG 59 15.294 6.820 -3.621 433 2HH1 ARG 59 1HH1 ARG 59 16.631 7.036 -4.714 434 1HH2 ARG 59 2HH2 ARG 59 18.371 9.259 -2.623 435 2HH2 ARG 59 1HH2 ARG 59 18.353 8.466 -4.170 436 H ASN 60 H ASN 60 14.723 6.753 3.440 437 HA ASN 60 HA ASN 60 17.465 6.222 3.013 438 1HB ASN 60 2HB ASN 60 16.867 7.478 4.949 439 2HB ASN 60 1HB ASN 60 15.749 6.235 5.500 440 1HD2 ASN 60 1HD2 ASN 60 16.491 5.392 7.301 441 2HD2 ASN 60 2HD2 ASN 60 18.128 4.921 7.610 442 H ASP 61 H ASP 61 14.806 4.172 4.179 443 HA ASP 61 HA ASP 61 16.495 1.950 4.700 444 1HB ASP 61 2HB ASP 61 13.623 2.507 4.803 445 2HB ASP 61 1HB ASP 61 14.012 0.836 4.391 446 H TYR 62 H TYR 62 14.718 2.990 1.878 447 HA TYR 62 HA TYR 62 14.902 0.609 0.376 448 1HB TYR 62 2HB TYR 62 13.474 2.450 -0.346 449 2HB TYR 62 1HB TYR 62 14.876 3.497 -0.538 450 HD1 TYR 62 1HD TYR 62 16.414 3.188 -2.419 451 HD2 TYR 62 2HD TYR 62 12.932 0.786 -2.000 452 HE1 TYR 62 1HE TYR 62 16.671 2.432 -4.739 453 HE2 TYR 62 2HE TYR 62 13.164 0.030 -4.325 454 HH TYR 62 HH TYR 62 15.912 1.089 -6.325 455 H ILE 63 H ILE 63 17.126 3.287 0.899 456 HA ILE 63 HA ILE 63 19.057 2.468 -1.006 457 HB ILE 63 HB ILE 63 19.404 4.208 1.441 458 1HG1 ILE 63 2HG1 ILE 63 17.857 5.330 0.086 459 1HG2 ILE 63 1HG2 ILE 63 21.569 4.311 0.985 460 2HG2 ILE 63 2HG2 ILE 63 21.350 3.126 -0.303 461 3HG2 ILE 63 3HG2 ILE 63 21.215 4.850 -0.656 462 1HD1 ILE 63 1HD1 ILE 63 19.107 3.893 -2.130 463 2HD1 ILE 63 2HD1 ILE 63 17.450 4.468 -1.928 464 3HD1 ILE 63 3HD1 ILE 63 18.704 5.575 -2.486 465 H ARG 64 H ARG 64 18.368 1.538 2.254 466 HA ARG 64 HA ARG 64 20.871 0.139 2.642 467 1HB ARG 64 2HB ARG 64 18.376 0.547 4.219 468 2HB ARG 64 1HB ARG 64 19.349 -0.872 4.579 469 1HG ARG 64 2HG ARG 64 20.793 0.339 5.738 470 2HG ARG 64 1HG ARG 64 21.019 1.454 4.390 471 1HD ARG 64 2HD ARG 64 20.183 2.526 6.478 472 2HD ARG 64 1HD ARG 64 19.148 2.771 5.073 473 HE ARG 64 HE ARG 64 17.539 1.369 6.029 474 1HH1 ARG 64 2HH1 ARG 64 20.404 1.560 8.034 475 2HH1 ARG 64 1HH1 ARG 64 19.591 0.987 9.457 476 1HH2 ARG 64 2HH2 ARG 64 16.488 0.548 7.869 477 2HH2 ARG 64 1HH2 ARG 64 17.381 0.383 9.363 478 H LEU 65 H LEU 65 17.651 -0.518 1.507 479 HA LEU 65 HA LEU 65 17.889 -3.367 1.650 480 1HB LEU 65 2HB LEU 65 15.830 -1.484 1.168 481 2HB LEU 65 1HB LEU 65 15.895 -2.539 -0.232 482 HG LEU 65 HG LEU 65 14.281 -3.316 1.454 483 1HD1 LEU 65 1HD1 LEU 65 15.235 -5.649 1.710 484 2HD1 LEU 65 2HD1 LEU 65 15.129 -5.017 0.068 485 3HD1 LEU 65 3HD1 LEU 65 16.681 -5.038 0.905 486 1HD2 LEU 65 1HD2 LEU 65 14.980 -4.110 3.602 487 2HD2 LEU 65 2HD2 LEU 65 16.671 -3.776 3.228 488 3HD2 LEU 65 3HD2 LEU 65 15.529 -2.444 3.418 489 H PHE 66 H PHE 66 17.823 -1.051 -1.077 490 HA PHE 66 HA PHE 66 19.265 -3.087 -2.655 491 1HB PHE 66 2HB PHE 66 17.423 -1.014 -3.848 492 2HB PHE 66 1HB PHE 66 18.079 -2.456 -4.616 493 HD1 PHE 66 1HD PHE 66 17.267 -4.704 -3.869 494 HD2 PHE 66 2HD PHE 66 15.394 -1.078 -2.676 495 HE1 PHE 66 1HE PHE 66 15.247 -5.960 -3.246 496 HE2 PHE 66 2HE PHE 66 13.368 -2.325 -2.054 497 HZ PHE 66 HZ PHE 66 13.291 -4.769 -2.338 498 H GLY 67 H GLY 67 18.725 0.399 -2.196 499 1HA GLY 67 1HA GLY 67 20.672 1.793 -1.873 500 2HA GLY 67 2HA GLY 67 21.524 0.794 -3.036 501 H ASN 68 H ASN 68 22.026 3.002 -3.828 502 HA ASN 68 HA ASN 68 20.587 3.587 -6.192 503 1HB ASN 68 2HB ASN 68 19.344 4.726 -4.054 504 2HB ASN 68 1HB ASN 68 20.508 5.984 -4.449 505 1HD2 ASN 68 1HD2 ASN 68 20.373 5.200 -7.354 506 2HD2 ASN 68 2HD2 ASN 68 18.895 5.901 -7.913 507 H SER 69 H SER 69 22.441 3.761 -7.341 508 HA SER 69 HA SER 69 24.826 4.782 -6.192 509 1HB SER 69 2HB SER 69 24.977 4.589 -9.059 510 2HB SER 69 1HB SER 69 25.727 3.561 -7.834 511 HG SER 69 HG SER 69 24.042 2.667 -9.423 512 H GLY 70 H GLY 70 22.208 6.407 -7.388 513 1HA GLY 70 1HA GLY 70 22.701 8.909 -7.077 514 2HA GLY 70 2HA GLY 70 23.817 8.646 -8.409 515 H ALA 71 H ALA 71 22.837 9.959 -9.870 516 HA ALA 71 HA ALA 71 20.507 8.877 -11.192 517 1HB ALA 71 1HB ALA 71 20.330 11.732 -10.276 518 2HB ALA 71 2HB ALA 71 19.059 10.706 -10.941 519 3HB ALA 71 3HB ALA 71 19.677 10.403 -9.318 520 H GLY 72 H GLY 72 20.178 9.788 -13.293 521 1HA GLY 72 1HA GLY 72 20.772 11.279 -15.063 522 2HA GLY 72 2HA GLY 72 22.264 11.647 -14.212 523 H GLY 73 H GLY 73 21.043 8.399 -14.695 524 1HA GLY 73 1HA GLY 73 22.027 7.485 -16.989 525 2HA GLY 73 2HA GLY 73 23.516 7.733 -16.086 526 H SER 74 H SER 74 22.696 5.236 -17.031 527 HA SER 74 HA SER 74 21.499 3.808 -14.807 528 1HB SER 74 2HB SER 74 22.530 2.075 -16.849 529 2HB SER 74 1HB SER 74 20.848 2.421 -16.443 530 HG SER 74 HG SER 74 20.978 4.268 -17.795 531 H GLY 75 H GLY 75 22.528 1.819 -13.978 532 1HA GLY 75 1HA GLY 75 24.350 0.569 -13.252 533 2HA GLY 75 2HA GLY 75 25.409 1.600 -14.202 534 H GLY 76 H GLY 76 26.595 3.078 -13.184 535 1HA GLY 76 1HA GLY 76 26.764 4.813 -11.497 536 2HA GLY 76 2HA GLY 76 25.840 3.775 -10.421 537 H HIS 77 H HIS 77 28.111 4.823 -9.478 538 HA HIS 77 HA HIS 77 29.776 2.451 -9.149 539 1HB HIS 77 2HB HIS 77 30.583 4.651 -10.764 540 2HB HIS 77 1HB HIS 77 31.551 4.688 -9.294 541 HD1 HIS 77 1HD HIS 77 33.309 4.132 -11.451 542 HD2 HIS 77 2HD HIS 77 30.942 1.079 -9.905 543 HE1 HIS 77 1HE HIS 77 34.419 1.985 -12.155 544 HE2 HIS 77 2HE HIS 77 33.085 0.163 -11.035 545 H MET 78 H MET 78 28.877 5.702 -8.166 546 HA MET 78 HA MET 78 28.977 4.992 -5.402 547 1HB MET 78 2HB MET 78 31.378 5.426 -5.797 548 2HB MET 78 1HB MET 78 30.986 7.038 -6.378 549 1HG MET 78 2HG MET 78 31.785 7.139 -4.104 550 2HG MET 78 1HG MET 78 30.086 7.603 -4.170 551 1HE MET 78 1HE MET 78 32.138 3.980 -2.571 552 2HE MET 78 2HE MET 78 32.770 5.520 -3.156 553 3HE MET 78 3HE MET 78 32.198 5.377 -1.496 554 H GLY 79 H GLY 79 27.287 5.982 -4.558 555 1HA GLY 79 1HA GLY 79 26.774 8.782 -5.157 556 2HA GLY 79 2HA GLY 79 25.527 7.653 -5.668 557 H SER 80 H SER 80 23.896 7.565 -4.285 558 HA SER 80 HA SER 80 24.126 8.523 -1.613 559 1HB SER 80 2HB SER 80 21.709 7.011 -2.119 560 2HB SER 80 1HB SER 80 21.904 8.743 -1.839 561 HG SER 80 HG SER 80 21.710 9.074 -3.905 562 H GLY 81 H GLY 81 23.638 5.317 -3.064 563 1HA GLY 81 1HA GLY 81 24.937 4.068 -0.812 564 2HA GLY 81 2HA GLY 81 23.215 3.724 -0.908 565 H GLY 82 H GLY 82 25.279 1.791 -1.109 566 1HA GLY 82 1HA GLY 82 24.818 -0.133 -2.628 567 2HA GLY 82 2HA GLY 82 25.003 1.016 -3.950 568 H ASP 83 H ASP 83 26.774 0.254 -4.970 569 HA ASP 83 HA ASP 83 29.330 0.736 -3.830 570 1HB ASP 83 2HB ASP 83 28.360 -1.682 -3.037 571 2HB ASP 83 1HB ASP 83 29.167 -2.131 -4.536 572 H VAL 84 H VAL 84 30.880 -0.922 -5.406 573 HA VAL 84 HA VAL 84 30.620 0.296 -7.977 574 HB VAL 84 HB VAL 84 32.481 -1.424 -8.554 575 1HG1 VAL 84 1HG1 VAL 84 32.522 1.117 -7.684 576 2HG1 VAL 84 2HG1 VAL 84 33.452 0.338 -6.405 577 3HG1 VAL 84 3HG1 VAL 84 33.973 0.198 -8.084 578 1HG2 VAL 84 1HG2 VAL 84 32.285 -1.714 -5.564 579 2HG2 VAL 84 2HG2 VAL 84 32.224 -2.986 -6.783 580 3HG2 VAL 84 3HG2 VAL 84 33.730 -2.121 -6.485 581 H MET 85 H MET 85 29.323 -2.521 -6.572 582 HA MET 85 HA MET 85 28.569 -3.524 -9.235 583 1HB MET 85 2HB MET 85 30.122 -5.026 -7.932 584 2HB MET 85 1HB MET 85 28.839 -5.213 -6.744 585 1HG MET 85 2HG MET 85 28.561 -7.080 -8.053 586 2HG MET 85 1HG MET 85 27.409 -5.954 -8.768 587 1HE MET 85 1HE MET 85 27.438 -5.578 -11.531 588 2HE MET 85 2HE MET 85 28.139 -7.058 -12.184 589 3HE MET 85 3HE MET 85 27.086 -7.132 -10.773 590 H VAL 86 H VAL 86 26.679 -2.289 -9.264 591 HA VAL 86 HA VAL 86 24.651 -3.069 -7.273 592 HB VAL 86 HB VAL 86 23.461 -1.008 -8.569 593 1HG1 VAL 86 1HG1 VAL 86 24.417 -1.556 -6.027 594 2HG1 VAL 86 2HG1 VAL 86 25.138 0.004 -6.431 595 3HG1 VAL 86 3HG1 VAL 86 23.386 -0.200 -6.493 596 1HG2 VAL 86 1HG2 VAL 86 24.909 0.215 -9.735 597 2HG2 VAL 86 2HG2 VAL 86 25.728 0.595 -8.222 598 3HG2 VAL 86 3HG2 VAL 86 26.261 -0.775 -9.192 599 H VAL 87 H VAL 87 25.301 -2.619 -10.704 600 HA VAL 87 HA VAL 87 23.334 -4.677 -11.316 601 HB VAL 87 HB VAL 87 22.808 -3.089 -13.427 602 1HG1 VAL 87 1HG1 VAL 87 20.690 -3.136 -12.670 603 2HG1 VAL 87 2HG1 VAL 87 21.372 -4.154 -11.401 604 3HG1 VAL 87 3HG1 VAL 87 21.118 -2.434 -11.110 605 1HG2 VAL 87 1HG2 VAL 87 22.234 -0.847 -11.983 606 2HG2 VAL 87 2HG2 VAL 87 23.812 -1.300 -11.338 607 3HG2 VAL 87 3HG2 VAL 87 23.611 -1.028 -13.070 608 H GLY 88 H GLY 88 23.512 -5.183 -13.780 609 1HA GLY 88 1HA GLY 88 26.187 -5.885 -14.347 610 2HA GLY 88 2HA GLY 88 24.846 -5.956 -15.485 611 H GLU 89 H GLU 89 27.789 -4.819 -15.257 612 HA GLU 89 HA GLU 89 29.022 -3.238 -16.302 613 1HB GLU 89 2HB GLU 89 26.407 -2.676 -17.696 614 2HB GLU 89 1HB GLU 89 27.894 -1.812 -18.065 615 1HG GLU 89 2HG GLU 89 27.888 -4.785 -18.126 616 2HG GLU 89 1HG GLU 89 27.169 -3.889 -19.461 617 HA PRO 90 HA PRO 90 27.884 -0.129 -13.218 618 1HB PRO 90 2HB PRO 90 30.731 0.155 -12.786 619 2HB PRO 90 1HB PRO 90 29.506 -0.485 -11.689 620 1HG PRO 90 2HG PRO 90 31.457 -2.014 -12.833 621 2HG PRO 90 1HG PRO 90 29.881 -2.648 -12.329 622 1HD PRO 90 2HD PRO 90 30.834 -1.884 -15.061 623 2HD PRO 90 1HD PRO 90 29.833 -3.265 -14.561 624 H THR 91 H THR 91 27.456 0.912 -15.490 625 HA THR 91 HA THR 91 29.364 2.618 -16.653 626 HB THR 91 HB THR 91 26.428 3.245 -16.640 627 HG1 THR 91 1HG THR 91 27.748 1.081 -17.963 628 1HG2 THR 91 1HG2 THR 91 26.801 4.116 -18.776 629 2HG2 THR 91 2HG2 THR 91 28.292 3.202 -18.992 630 3HG2 THR 91 3HG2 THR 91 28.257 4.579 -17.892 631 H LEU 92 H LEU 92 30.274 4.398 -15.847 632 HA LEU 92 HA LEU 92 29.249 5.550 -13.405 633 1HB LEU 92 2HB LEU 92 31.342 7.150 -14.112 634 2HB LEU 92 1HB LEU 92 31.465 5.701 -13.133 635 HG LEU 92 HG LEU 92 31.612 5.192 -16.017 636 1HD1 LEU 92 1HD1 LEU 92 34.137 6.289 -14.995 637 2HD1 LEU 92 2HD1 LEU 92 33.415 6.397 -16.602 638 3HD1 LEU 92 3HD1 LEU 92 32.874 7.479 -15.316 639 1HD2 LEU 92 1HD2 LEU 92 32.233 3.351 -14.843 640 2HD2 LEU 92 2HD2 LEU 92 33.815 4.117 -14.974 641 3HD2 LEU 92 3HD2 LEU 92 32.874 4.288 -13.494 642 H MET 93 H MET 93 27.289 6.041 -15.004 643 HA MET 93 HA MET 93 27.660 8.725 -16.139 644 1HB MET 93 2HB MET 93 26.222 6.423 -17.002 645 2HB MET 93 1HB MET 93 25.057 7.700 -16.680 646 1HG MET 93 2HG MET 93 27.238 7.586 -18.699 647 2HG MET 93 1HG MET 93 25.557 8.079 -18.881 648 1HE MET 93 1HE MET 93 28.791 10.841 -19.177 649 2HE MET 93 2HE MET 93 29.256 9.439 -18.214 650 3HE MET 93 3HE MET 93 28.464 9.214 -19.773 651 H GLY 94 H GLY 94 25.655 6.883 -13.894 652 1HA GLY 94 1HA GLY 94 25.140 9.258 -12.363 653 2HA GLY 94 2HA GLY 94 23.707 8.648 -13.181 654 H GLY 95 H GLY 95 23.108 6.396 -12.764 655 1HA GLY 95 1HA GLY 95 23.757 4.439 -11.317 656 2HA GLY 95 2HA GLY 95 23.868 5.620 -10.021 657 H GLU 96 H GLU 96 21.440 5.274 -12.578 658 HA GLU 96 HA GLU 96 19.254 5.709 -10.865 659 1HB GLU 96 2HB GLU 96 19.683 5.009 -13.666 660 2HB GLU 96 1HB GLU 96 18.247 4.245 -12.995 661 1HG GLU 96 2HG GLU 96 17.159 6.132 -13.361 662 2HG GLU 96 1HG GLU 96 18.145 6.881 -12.106 663 H PHE 97 H PHE 97 18.456 4.440 -9.359 664 HA PHE 97 HA PHE 97 18.458 1.539 -9.703 665 1HB PHE 97 2HB PHE 97 20.595 2.565 -8.483 666 2HB PHE 97 1HB PHE 97 19.504 2.538 -7.100 667 HD1 PHE 97 1HD PHE 97 20.066 0.208 -9.948 668 HD2 PHE 97 2HD PHE 97 20.002 0.779 -5.731 669 HE1 PHE 97 1HE PHE 97 20.560 -2.183 -9.626 670 HE2 PHE 97 2HE PHE 97 20.498 -1.612 -5.401 671 HZ PHE 97 HZ PHE 97 20.775 -3.094 -7.348 672 H GLY 98 H GLY 98 16.282 3.252 -9.728 673 1HA GLY 98 1HA GLY 98 14.122 2.851 -8.843 674 2HA GLY 98 2HA GLY 98 14.862 2.263 -7.361 675 H ASP 99 H ASP 99 16.126 5.151 -8.631 676 HA ASP 99 HA ASP 99 15.623 6.710 -6.380 677 1HB ASP 99 2HB ASP 99 15.905 8.585 -8.349 678 2HB ASP 99 1HB ASP 99 17.248 7.759 -7.560 679 H GLU 100 H GLU 100 14.028 6.912 -9.562 680 HA GLU 100 HA GLU 100 11.871 8.466 -8.371 681 1HB GLU 100 2HB GLU 100 12.071 7.635 -11.260 682 2HB GLU 100 1HB GLU 100 11.166 8.977 -10.575 683 1HG GLU 100 2HG GLU 100 14.100 9.007 -10.197 684 2HG GLU 100 1HG GLU 100 13.494 9.285 -11.829 685 H ASP 101 H ASP 101 12.113 5.738 -7.553 686 HA ASP 101 HA ASP 101 9.946 4.311 -8.890 687 1HB ASP 101 2HB ASP 101 12.178 3.386 -7.674 688 2HB ASP 101 1HB ASP 101 11.050 3.295 -6.328 689 H GLU 102 H GLU 102 10.296 6.621 -6.508 690 HA GLU 102 HA GLU 102 8.204 5.744 -4.750 691 1HB GLU 102 2HB GLU 102 8.472 8.310 -4.059 692 2HB GLU 102 1HB GLU 102 9.589 7.064 -3.526 693 1HG GLU 102 2HG GLU 102 10.944 8.823 -4.231 694 2HG GLU 102 1HG GLU 102 10.985 7.666 -5.560 695 H ARG 103 H ARG 103 7.034 8.450 -4.457 696 HA ARG 103 HA ARG 103 5.099 9.473 -5.056 697 1HB ARG 103 2HB ARG 103 6.897 9.816 -7.119 698 2HB ARG 103 1HB ARG 103 5.467 9.220 -7.950 699 1HG ARG 103 2HG ARG 103 5.118 11.483 -8.003 700 2HG ARG 103 1HG ARG 103 4.232 11.028 -6.546 701 1HD ARG 103 2HD ARG 103 5.672 13.058 -6.298 702 2HD ARG 103 1HD ARG 103 6.010 11.772 -5.141 703 HE ARG 103 HE ARG 103 8.053 11.350 -6.206 704 1HH1 ARG 103 2HH1 ARG 103 6.268 13.937 -7.767 705 2HH1 ARG 103 1HH1 ARG 103 7.636 14.491 -8.691 706 1HH2 ARG 103 2HH2 ARG 103 9.846 12.082 -7.403 707 2HH2 ARG 103 1HH2 ARG 103 9.674 13.435 -8.477 708 H LEU 104 H LEU 104 4.802 6.821 -4.516 709 HA LEU 104 HA LEU 104 3.006 5.790 -6.594 710 1HB LEU 104 2HB LEU 104 5.112 4.556 -5.538 711 2HB LEU 104 1HB LEU 104 3.948 4.128 -4.302 712 HG LEU 104 HG LEU 104 4.454 2.637 -6.498 713 1HD1 LEU 104 1HD1 LEU 104 3.225 1.938 -4.521 714 2HD1 LEU 104 2HD1 LEU 104 1.815 2.846 -5.066 715 3HD1 LEU 104 3HD1 LEU 104 2.386 1.460 -5.998 716 1HD2 LEU 104 1HD2 LEU 104 2.867 4.765 -7.484 717 2HD2 LEU 104 2HD2 LEU 104 3.403 3.311 -8.328 718 3HD2 LEU 104 3HD2 LEU 104 1.867 3.313 -7.462 719 H ILE 105 H ILE 105 2.936 7.381 -3.680 720 HA ILE 105 HA ILE 105 0.705 5.946 -2.542 721 HB ILE 105 HB ILE 105 2.369 8.272 -1.683 722 1HG1 ILE 105 2HG1 ILE 105 1.395 5.750 -0.325 723 1HG2 ILE 105 1HG2 ILE 105 -0.470 8.124 -1.201 724 2HG2 ILE 105 2HG2 ILE 105 0.434 8.016 0.309 725 3HG2 ILE 105 3HG2 ILE 105 0.679 9.388 -0.769 726 1HD1 ILE 105 1HD1 ILE 105 3.648 7.430 0.676 727 2HD1 ILE 105 2HD1 ILE 105 1.986 7.775 1.166 728 3HD1 ILE 105 3HD1 ILE 105 2.703 6.200 1.519 729 H THR 106 H THR 106 -1.313 6.241 -3.022 730 HA THR 106 HA THR 106 -2.219 8.796 -4.164 731 HB THR 106 HB THR 106 -4.138 6.568 -3.719 732 HG1 THR 106 1HG THR 106 -2.417 5.423 -4.620 733 1HG2 THR 106 1HG2 THR 106 -4.959 8.597 -4.708 734 2HG2 THR 106 2HG2 THR 106 -4.942 7.351 -5.956 735 3HG2 THR 106 3HG2 THR 106 -3.678 8.581 -5.921 736 H ARG 107 H ARG 107 -2.558 10.181 -2.615 737 HA ARG 107 HA ARG 107 -2.566 9.403 0.045 738 1HB ARG 107 2HB ARG 107 -2.100 11.563 0.494 739 2HB ARG 107 1HB ARG 107 -1.886 11.647 -1.247 740 1HG ARG 107 2HG ARG 107 -4.580 12.195 -0.106 741 2HG ARG 107 1HG ARG 107 -3.321 13.423 0.032 742 1HD ARG 107 2HD ARG 107 -2.989 13.279 -2.421 743 2HD ARG 107 1HD ARG 107 -4.358 12.168 -2.504 744 HE ARG 107 HE ARG 107 -4.438 15.034 -2.080 745 1HH1 ARG 107 2HH1 ARG 107 -6.181 11.996 -1.913 746 2HH1 ARG 107 1HH1 ARG 107 -7.748 12.743 -1.858 747 1HH2 ARG 107 2HH2 ARG 107 -6.500 16.028 -2.034 748 2HH2 ARG 107 1HH2 ARG 107 -7.925 15.034 -1.964 749 H LEU 108 H LEU 108 -3.752 10.177 1.700 750 HA LEU 108 HA LEU 108 -6.256 9.012 1.787 751 1HB LEU 108 2HB LEU 108 -6.280 10.268 4.099 752 2HB LEU 108 1HB LEU 108 -5.313 8.843 3.807 753 HG LEU 108 HG LEU 108 -4.228 10.738 5.103 754 1HD1 LEU 108 1HD1 LEU 108 -2.689 9.183 4.511 755 2HD1 LEU 108 2HD1 LEU 108 -3.050 9.309 2.789 756 3HD1 LEU 108 3HD1 LEU 108 -2.085 10.553 3.583 757 1HD2 LEU 108 1HD2 LEU 108 -3.297 12.108 2.737 758 2HD2 LEU 108 2HD2 LEU 108 -5.040 12.277 2.948 759 3HD2 LEU 108 3HD2 LEU 108 -3.944 12.760 4.244 760 H GLU 109 H GLU 109 -7.637 10.619 3.514 761 HA GLU 109 HA GLU 109 -9.561 11.441 1.842 762 1HB GLU 109 2HB GLU 109 -10.681 12.241 3.715 763 2HB GLU 109 1HB GLU 109 -9.568 11.045 4.363 764 1HG GLU 109 2HG GLU 109 -8.826 13.944 4.270 765 2HG GLU 109 1HG GLU 109 -9.837 13.313 5.565 766 H ASN 110 H ASN 110 -10.543 13.365 1.371 767 HA ASN 110 HA ASN 110 -8.967 15.449 0.316 768 1HB ASN 110 2HB ASN 110 -11.739 14.714 0.426 769 2HB ASN 110 1HB ASN 110 -11.582 16.426 0.829 770 1HD2 ASN 110 1HD2 ASN 110 -11.821 14.206 -1.634 771 2HD2 ASN 110 2HD2 ASN 110 -11.319 15.226 -2.956 772 H THR 111 H THR 111 -10.359 14.889 3.414 773 HA THR 111 HA THR 111 -10.339 17.547 4.391 774 HB THR 111 HB THR 111 -10.190 15.122 6.153 775 HG1 THR 111 1HG THR 111 -12.495 16.011 4.706 776 1HG2 THR 111 1HG2 THR 111 -10.802 17.862 6.522 777 2HG2 THR 111 2HG2 THR 111 -10.889 16.560 7.708 778 3HG2 THR 111 3HG2 THR 111 -12.302 16.960 6.733 779 H GLN 112 H GLN 112 -7.753 15.766 3.499 780 HA GLN 112 HA GLN 112 -5.977 16.309 5.698 781 1HB GLN 112 2HB GLN 112 -4.286 15.343 4.414 782 2HB GLN 112 1HB GLN 112 -5.722 14.489 3.875 783 1HG GLN 112 2HG GLN 112 -5.504 15.218 1.788 784 2HG GLN 112 1HG GLN 112 -5.177 16.872 2.302 785 1HE2 GLN 112 1HE2 GLN 112 -3.011 15.034 3.920 786 2HE2 GLN 112 2HE2 GLN 112 -1.682 15.095 2.806 787 H PHE 113 H PHE 113 -7.290 18.052 3.092 788 HA PHE 113 HA PHE 113 -5.229 20.115 3.128 789 1HB PHE 113 2HB PHE 113 -7.237 19.260 1.256 790 2HB PHE 113 1HB PHE 113 -7.495 20.959 1.639 791 HD1 PHE 113 1HD PHE 113 -4.436 18.871 1.184 792 HD2 PHE 113 2HD PHE 113 -6.667 22.286 -0.025 793 HE1 PHE 113 1HE PHE 113 -2.638 19.489 -0.375 794 HE2 PHE 113 2HE PHE 113 -4.872 22.910 -1.589 795 HZ PHE 113 HZ PHE 113 -2.853 21.510 -1.764 796 H ASP 114 H ASP 114 -8.756 20.375 3.148 797 HA ASP 114 HA ASP 114 -8.573 22.057 5.558 798 1HB ASP 114 2HB ASP 114 -9.434 23.029 3.207 799 2HB ASP 114 1HB ASP 114 -10.946 22.325 3.776 800 H ALA 115 H ALA 115 -10.765 22.019 6.756 801 HA ALA 115 HA ALA 115 -11.375 19.234 7.253 802 1HB ALA 115 1HB ALA 115 -12.178 19.885 9.267 803 2HB ALA 115 2HB ALA 115 -11.150 21.279 8.934 804 3HB ALA 115 3HB ALA 115 -12.886 21.372 8.635 805 H ALA 116 H ALA 116 -12.172 19.644 4.777 806 HA ALA 116 HA ALA 116 -15.077 20.088 4.848 807 1HB ALA 116 1HB ALA 116 -14.056 21.378 3.136 808 2HB ALA 116 2HB ALA 116 -13.121 19.996 2.563 809 3HB ALA 116 3HB ALA 116 -14.871 20.028 2.342 810 H ASN 117 H ASN 117 -16.482 18.530 3.949 811 HA ASN 117 HA ASN 117 -15.500 15.790 4.178 812 1HB ASN 117 2HB ASN 117 -17.696 16.459 5.201 813 2HB ASN 117 1HB ASN 117 -18.317 16.727 3.574 814 1HD2 ASN 117 1HD2 ASN 117 -16.387 14.189 5.158 815 2HD2 ASN 117 2HD2 ASN 117 -17.376 12.870 4.621 816 H GLY 118 H GLY 118 -14.615 14.909 2.467 817 1HA GLY 118 1HA GLY 118 -14.778 16.032 -0.115 818 2HA GLY 118 2HA GLY 118 -14.036 14.493 0.293 819 H ILE 119 H ILE 119 -15.961 15.583 -1.849 820 HA ILE 119 HA ILE 119 -17.906 13.376 -1.650 821 HB ILE 119 HB ILE 119 -19.237 14.760 -3.353 822 1HG1 ILE 119 2HG1 ILE 119 -18.485 17.305 -2.391 823 1HG2 ILE 119 1HG2 ILE 119 -18.922 15.428 -0.451 824 2HG2 ILE 119 2HG2 ILE 119 -20.117 16.253 -1.454 825 3HG2 ILE 119 3HG2 ILE 119 -20.193 14.503 -1.252 826 1HD1 ILE 119 1HD1 ILE 119 -17.747 17.667 -4.775 827 2HD1 ILE 119 2HD1 ILE 119 -18.202 15.989 -5.066 828 3HD1 ILE 119 3HD1 ILE 119 -19.416 17.153 -4.536 829 H ASP 120 H ASP 120 -15.297 14.696 -3.406 830 HA ASP 120 HA ASP 120 -15.901 13.489 -5.942 831 1HB ASP 120 2HB ASP 120 -14.481 15.300 -6.213 832 2HB ASP 120 1HB ASP 120 -13.574 14.939 -4.750 833 H ASP 121 H ASP 121 -14.243 12.590 -3.035 834 HA ASP 121 HA ASP 121 -13.180 10.127 -4.156 835 1HB ASP 121 2HB ASP 121 -12.855 9.749 -1.526 836 2HB ASP 121 1HB ASP 121 -11.731 10.710 -2.478 837 H GLU 122 H GLU 122 -13.836 8.034 -3.178 838 HA GLU 122 HA GLU 122 -16.748 8.012 -2.866 839 1HB GLU 122 2HB GLU 122 -15.124 5.516 -3.147 840 2HB GLU 122 1HB GLU 122 -16.761 5.848 -3.688 841 1HG GLU 122 2HG GLU 122 -15.970 6.197 -5.720 842 2HG GLU 122 1HG GLU 122 -15.112 7.611 -5.106 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -8.653 -9.609 -8.209 2 2H GLY 1 2H GLY 1 -7.764 -8.227 -7.795 3 3H GLY 1 3H GLY 1 -7.579 -8.927 -9.329 4 1HA GLY 1 2HA GLY 1 -9.033 -7.419 -10.035 5 2HA GLY 1 1HA GLY 1 -10.226 -8.466 -9.274 6 H SER 2 H SER 2 -11.198 -6.136 -9.329 7 HA SER 2 HA SER 2 -10.359 -4.611 -6.976 8 1HB SER 2 2HB SER 2 -12.595 -3.730 -8.752 9 2HB SER 2 1HB SER 2 -11.380 -2.765 -7.913 10 HG SER 2 HG SER 2 -10.192 -2.838 -9.630 11 H LEU 3 H LEU 3 -12.966 -6.554 -8.234 12 HA LEU 3 HA LEU 3 -14.854 -7.415 -7.323 13 1HB LEU 3 2HB LEU 3 -12.950 -7.207 -5.100 14 2HB LEU 3 1HB LEU 3 -14.626 -7.262 -4.592 15 HG LEU 3 HG LEU 3 -14.492 -9.314 -6.420 16 1HD1 LEU 3 1HD1 LEU 3 -12.201 -9.440 -6.715 17 2HD1 LEU 3 2HD1 LEU 3 -11.858 -9.009 -5.041 18 3HD1 LEU 3 3HD1 LEU 3 -12.485 -10.611 -5.427 19 1HD2 LEU 3 1HD2 LEU 3 -14.747 -8.964 -3.551 20 2HD2 LEU 3 2HD2 LEU 3 -15.590 -10.070 -4.634 21 3HD2 LEU 3 3HD2 LEU 3 -14.016 -10.511 -3.974 22 H SER 4 H SER 4 -15.896 -6.572 -4.630 23 HA SER 4 HA SER 4 -17.480 -4.372 -5.564 24 1HB SER 4 2HB SER 4 -17.980 -4.757 -2.832 25 2HB SER 4 1HB SER 4 -18.915 -5.415 -4.176 26 HG SER 4 HG SER 4 -17.213 -6.681 -2.447 27 H TRP 5 H TRP 5 -14.869 -4.882 -3.358 28 HA TRP 5 HA TRP 5 -14.416 -2.013 -3.221 29 1HB TRP 5 2HB TRP 5 -15.787 -3.182 -1.161 30 2HB TRP 5 1HB TRP 5 -14.124 -3.322 -0.597 31 HD1 TRP 5 HD TRP 5 -15.926 -0.409 -2.419 32 HE1 TRP 5 1HE TRP 5 -15.538 1.747 -1.047 33 HE3 TRP 5 3HE TRP 5 -13.288 -2.396 1.494 34 HZ2 TRP 5 2HZ TRP 5 -14.282 2.489 1.366 35 HZ3 TRP 5 3HZ TRP 5 -12.535 -0.896 3.289 36 HH2 TRP 5 HH TRP 5 -13.020 1.497 3.226 37 H LYS 6 H LYS 6 -12.367 -1.699 -3.699 38 HA LYS 6 HA LYS 6 -10.407 -3.807 -3.411 39 1HB LYS 6 2HB LYS 6 -8.864 -1.847 -4.223 40 2HB LYS 6 1HB LYS 6 -9.956 -2.632 -5.352 41 1HG LYS 6 2HG LYS 6 -10.988 -0.260 -3.917 42 2HG LYS 6 1HG LYS 6 -9.745 0.015 -5.141 43 1HD LYS 6 2HD LYS 6 -11.190 -1.399 -6.686 44 2HD LYS 6 1HD LYS 6 -12.461 -1.238 -5.474 45 1HE LYS 6 2HE LYS 6 -11.749 1.336 -5.705 46 2HE LYS 6 1HE LYS 6 -11.337 0.780 -7.328 47 1HZ LYS 6 1HZ LYS 6 -13.628 -0.143 -7.471 48 2HZ LYS 6 2HZ LYS 6 -13.581 1.547 -7.341 49 3HZ LYS 6 3HZ LYS 6 -13.984 0.606 -5.989 50 H ARG 7 H ARG 7 -10.983 -3.774 -1.101 51 HA ARG 7 HA ARG 7 -10.422 -1.663 0.613 52 1HB ARG 7 2HB ARG 7 -10.938 -3.129 2.346 53 2HB ARG 7 1HB ARG 7 -11.804 -3.799 0.977 54 1HG ARG 7 2HG ARG 7 -9.237 -4.816 2.174 55 2HG ARG 7 1HG ARG 7 -10.822 -5.581 2.235 56 1HD ARG 7 2HD ARG 7 -10.190 -6.737 0.438 57 2HD ARG 7 1HD ARG 7 -10.354 -5.232 -0.470 58 HE ARG 7 HE ARG 7 -7.821 -5.359 0.786 59 1HH1 ARG 7 2HH1 ARG 7 -9.619 -6.805 -1.851 60 2HH1 ARG 7 1HH1 ARG 7 -8.226 -6.972 -2.880 61 1HH2 ARG 7 2HH2 ARG 7 -5.995 -5.595 -0.560 62 2HH2 ARG 7 1HH2 ARG 7 -6.169 -6.265 -2.155 63 H CYS 8 H CYS 8 -8.893 -2.367 2.675 64 HA CYS 8 HA CYS 8 -6.306 -1.689 1.934 65 1HB CYS 8 2HB CYS 8 -7.426 -1.556 4.248 66 2HB CYS 8 1HB CYS 8 -6.952 -3.237 4.436 67 H ALA 9 H ALA 9 -4.416 -2.805 1.798 68 HA ALA 9 HA ALA 9 -4.617 -5.733 1.540 69 1HB ALA 9 1HB ALA 9 -2.642 -3.979 0.080 70 2HB ALA 9 2HB ALA 9 -2.928 -5.705 -0.156 71 3HB ALA 9 3HB ALA 9 -4.165 -4.534 -0.618 72 H GLY 10 H GLY 10 -3.868 -3.563 3.655 73 1HA GLY 10 1HA GLY 10 -1.161 -4.508 4.286 74 2HA GLY 10 2HA GLY 10 -1.924 -3.068 4.934 75 H CYS 11 H CYS 11 -4.434 -4.498 5.585 76 HA CYS 11 HA CYS 11 -3.392 -6.069 7.840 77 1HB CYS 11 2HB CYS 11 -5.294 -5.146 9.188 78 2HB CYS 11 1HB CYS 11 -4.086 -3.955 8.720 79 H GLY 12 H GLY 12 -6.693 -5.720 7.985 80 1HA GLY 12 1HA GLY 12 -7.019 -8.519 7.207 81 2HA GLY 12 2HA GLY 12 -8.118 -7.584 8.206 82 H GLY 13 H GLY 13 -8.829 -5.455 6.723 83 1HA GLY 13 1HA GLY 13 -9.372 -6.079 4.001 84 2HA GLY 13 2HA GLY 13 -10.735 -6.513 5.017 85 H LYS 14 H LYS 14 -12.152 -4.995 5.575 86 HA LYS 14 HA LYS 14 -12.321 -2.692 4.093 87 1HB LYS 14 2HB LYS 14 -14.041 -3.998 5.674 88 2HB LYS 14 1HB LYS 14 -13.680 -2.637 6.728 89 1HG LYS 14 2HG LYS 14 -14.258 -1.130 4.804 90 2HG LYS 14 1HG LYS 14 -14.845 -2.562 3.956 91 1HD LYS 14 2HD LYS 14 -16.734 -2.633 5.165 92 2HD LYS 14 1HD LYS 14 -15.884 -2.308 6.677 93 1HE LYS 14 2HE LYS 14 -15.764 0.086 6.036 94 2HE LYS 14 1HE LYS 14 -16.735 -0.282 4.611 95 1HZ LYS 14 1HZ LYS 14 -18.534 -0.989 6.031 96 2HZ LYS 14 2HZ LYS 14 -18.073 0.588 6.453 97 3HZ LYS 14 3HZ LYS 14 -17.597 -0.723 7.420 98 H ILE 15 H ILE 15 -11.836 -0.615 4.308 99 HA ILE 15 HA ILE 15 -9.884 0.110 6.331 100 HB ILE 15 HB ILE 15 -10.835 1.831 4.046 101 1HG1 ILE 15 2HG1 ILE 15 -8.673 -0.295 3.995 102 1HG2 ILE 15 1HG2 ILE 15 -9.508 3.179 5.324 103 2HG2 ILE 15 2HG2 ILE 15 -8.524 1.843 5.918 104 3HG2 ILE 15 3HG2 ILE 15 -8.285 2.455 4.282 105 1HD1 ILE 15 1HD1 ILE 15 -8.767 2.073 2.501 106 2HD1 ILE 15 2HD1 ILE 15 -7.737 0.664 2.245 107 3HD1 ILE 15 3HD1 ILE 15 -9.298 0.777 1.427 108 H ALA 16 H ALA 16 -10.317 1.418 8.004 109 HA ALA 16 HA ALA 16 -13.059 2.133 8.479 110 1HB ALA 16 1HB ALA 16 -12.005 1.254 10.357 111 2HB ALA 16 2HB ALA 16 -10.561 2.239 10.127 112 3HB ALA 16 3HB ALA 16 -12.058 2.985 10.685 113 H ASP 17 H ASP 17 -10.725 3.684 6.824 114 HA ASP 17 HA ASP 17 -11.187 6.384 7.761 115 1HB ASP 17 2HB ASP 17 -9.489 5.068 5.745 116 2HB ASP 17 1HB ASP 17 -10.095 6.649 5.271 117 H ARG 18 H ARG 18 -12.208 8.015 6.405 118 HA ARG 18 HA ARG 18 -14.632 7.076 5.184 119 1HB ARG 18 2HB ARG 18 -14.553 9.240 6.356 120 2HB ARG 18 1HB ARG 18 -13.401 9.833 5.168 121 1HG ARG 18 2HG ARG 18 -14.989 9.971 3.497 122 2HG ARG 18 1HG ARG 18 -16.066 8.820 4.287 123 1HD ARG 18 2HD ARG 18 -16.634 11.361 4.300 124 2HD ARG 18 1HD ARG 18 -16.897 10.389 5.747 125 HE ARG 18 HE ARG 18 -14.666 12.263 5.323 126 1HH1 ARG 18 2HH1 ARG 18 -16.632 10.292 7.453 127 2HH1 ARG 18 1HH1 ARG 18 -16.028 11.051 8.904 128 1HH2 ARG 18 2HH2 ARG 18 -13.851 13.229 7.197 129 2HH2 ARG 18 1HH2 ARG 18 -14.444 12.741 8.764 130 H PHE 19 H PHE 19 -11.494 8.069 4.244 131 HA PHE 19 HA PHE 19 -12.072 7.301 1.465 132 1HB PHE 19 2HB PHE 19 -10.432 9.530 2.591 133 2HB PHE 19 1HB PHE 19 -9.947 8.815 1.059 134 HD1 PHE 19 1HD PHE 19 -13.204 9.753 2.585 135 HD2 PHE 19 2HD PHE 19 -10.568 10.106 -0.732 136 HE1 PHE 19 1HE PHE 19 -14.849 11.153 1.439 137 HE2 PHE 19 2HE PHE 19 -12.220 11.512 -1.893 138 HZ PHE 19 HZ PHE 19 -14.364 12.035 -0.802 139 H LEU 20 H LEU 20 -9.162 7.336 0.894 140 HA LEU 20 HA LEU 20 -7.984 5.563 2.790 141 1HB LEU 20 2HB LEU 20 -7.618 3.698 1.116 142 2HB LEU 20 1HB LEU 20 -9.191 3.817 1.861 143 HG LEU 20 HG LEU 20 -8.772 3.346 -0.762 144 1HD1 LEU 20 1HD1 LEU 20 -11.029 3.411 -0.978 145 2HD1 LEU 20 2HD1 LEU 20 -10.874 3.391 0.780 146 3HD1 LEU 20 3HD1 LEU 20 -11.194 4.910 -0.059 147 1HD2 LEU 20 1HD2 LEU 20 -8.035 5.261 -1.703 148 2HD2 LEU 20 2HD2 LEU 20 -9.767 5.586 -1.767 149 3HD2 LEU 20 3HD2 LEU 20 -8.785 6.289 -0.483 150 H LEU 21 H LEU 21 -5.979 4.468 1.652 151 HA LEU 21 HA LEU 21 -4.556 6.559 0.137 152 1HB LEU 21 2HB LEU 21 -3.773 5.341 2.462 153 2HB LEU 21 1HB LEU 21 -3.028 4.304 1.260 154 HG LEU 21 HG LEU 21 -2.639 7.242 0.988 155 1HD1 LEU 21 1HD1 LEU 21 -1.999 7.334 3.156 156 2HD1 LEU 21 2HD1 LEU 21 -1.696 5.601 3.257 157 3HD1 LEU 21 3HD1 LEU 21 -0.512 6.660 2.493 158 1HD2 LEU 21 1HD2 LEU 21 -0.377 5.425 0.761 159 2HD2 LEU 21 2HD2 LEU 21 -1.713 5.012 -0.317 160 3HD2 LEU 21 3HD2 LEU 21 -0.994 6.623 -0.380 161 H TYR 22 H TYR 22 -3.356 5.771 -1.726 162 HA TYR 22 HA TYR 22 -4.368 3.166 -2.683 163 1HB TYR 22 2HB TYR 22 -3.517 5.353 -4.563 164 2HB TYR 22 1HB TYR 22 -4.499 3.945 -4.899 165 HD1 TYR 22 1HD TYR 22 -4.739 6.894 -2.580 166 HD2 TYR 22 2HD TYR 22 -6.658 4.414 -5.448 167 HE1 TYR 22 1HE TYR 22 -6.759 8.277 -2.419 168 HE2 TYR 22 2HE TYR 22 -8.686 5.791 -5.292 169 HH TYR 22 HH TYR 22 -9.065 8.420 -4.563 170 H ALA 23 H ALA 23 -2.861 1.679 -3.130 171 HA ALA 23 HA ALA 23 -0.266 2.494 -4.099 172 1HB ALA 23 1HB ALA 23 -0.630 1.271 -1.391 173 2HB ALA 23 2HB ALA 23 0.851 1.005 -2.313 174 3HB ALA 23 3HB ALA 23 0.370 2.645 -1.870 175 H MET 24 H MET 24 0.477 1.075 -5.536 176 HA MET 24 HA MET 24 0.641 -0.731 -6.887 177 1HB MET 24 2HB MET 24 0.337 -1.884 -4.189 178 2HB MET 24 1HB MET 24 -0.038 -2.981 -5.514 179 1HG MET 24 2HG MET 24 2.165 -2.521 -6.497 180 2HG MET 24 1HG MET 24 2.537 -1.466 -5.132 181 1HE MET 24 1HE MET 24 3.518 -4.444 -6.597 182 2HE MET 24 2HE MET 24 4.713 -3.638 -5.579 183 3HE MET 24 3HE MET 24 4.250 -5.306 -5.243 184 H ASP 25 H ASP 25 -1.740 0.710 -6.945 185 HA ASP 25 HA ASP 25 -3.793 0.679 -7.902 186 1HB ASP 25 2HB ASP 25 -2.571 -1.809 -8.849 187 2HB ASP 25 1HB ASP 25 -4.332 -1.842 -8.846 188 H SER 26 H SER 26 -3.157 -0.680 -5.126 189 HA SER 26 HA SER 26 -5.922 -1.613 -4.687 190 1HB SER 26 2HB SER 26 -4.016 -2.317 -2.584 191 2HB SER 26 1HB SER 26 -5.169 -3.342 -3.440 192 HG SER 26 HG SER 26 -3.212 -2.682 -5.125 193 H TYR 27 H TYR 27 -6.701 -1.034 -2.424 194 HA TYR 27 HA TYR 27 -5.662 1.629 -1.754 195 1HB TYR 27 2HB TYR 27 -8.350 0.410 -1.097 196 2HB TYR 27 1HB TYR 27 -7.824 2.025 -0.635 197 HD1 TYR 27 1HD TYR 27 -6.358 1.874 -3.668 198 HD2 TYR 27 2HD TYR 27 -10.291 1.864 -2.028 199 HE1 TYR 27 1HE TYR 27 -7.250 2.707 -5.794 200 HE2 TYR 27 2HE TYR 27 -11.183 2.715 -4.156 201 HH TYR 27 HH TYR 27 -9.137 2.995 -7.013 202 H TRP 28 H TRP 28 -5.250 2.163 0.375 203 HA TRP 28 HA TRP 28 -4.812 -0.133 2.176 204 1HB TRP 28 2HB TRP 28 -2.869 2.008 1.300 205 2HB TRP 28 1HB TRP 28 -2.596 0.999 2.712 206 HD1 TRP 28 HD TRP 28 -3.257 0.425 -1.083 207 HE1 TRP 28 1HE TRP 28 -1.748 -1.511 -1.848 208 HE3 TRP 28 3HE TRP 28 -1.102 -0.738 3.404 209 HZ2 TRP 28 2HZ TRP 28 0.114 -3.308 -0.693 210 HZ3 TRP 28 3HZ TRP 28 0.534 -2.572 3.490 211 HH2 TRP 28 HH TRP 28 1.129 -3.829 1.483 212 H HIS 29 H HIS 29 -3.896 0.704 4.295 213 HA HIS 29 HA HIS 29 -5.486 2.940 5.333 214 1HB HIS 29 2HB HIS 29 -3.990 0.654 6.519 215 2HB HIS 29 1HB HIS 29 -4.015 2.145 7.444 216 HD2 HIS 29 2HD HIS 29 -6.863 3.060 7.783 217 HE1 HIS 29 1HE HIS 29 -7.976 -1.001 8.221 218 HE2 HIS 29 2HE HIS 29 -8.472 1.383 8.945 219 H SER 30 H SER 30 -4.102 4.366 6.900 220 HA SER 30 HA SER 30 -1.873 5.434 5.413 221 1HB SER 30 2HB SER 30 -1.796 6.679 7.857 222 2HB SER 30 1HB SER 30 -2.767 7.222 6.484 223 HG SER 30 HG SER 30 -3.576 6.270 8.872 224 H ARG 31 H ARG 31 -2.367 3.742 8.486 225 HA ARG 31 HA ARG 31 0.468 3.616 9.009 226 1HB ARG 31 2HB ARG 31 -1.570 3.739 10.682 227 2HB ARG 31 1HB ARG 31 -1.509 1.988 10.540 228 1HG ARG 31 2HG ARG 31 1.080 2.465 11.013 229 2HG ARG 31 1HG ARG 31 0.373 3.852 11.846 230 1HD ARG 31 2HD ARG 31 -1.189 2.177 12.957 231 2HD ARG 31 1HD ARG 31 -0.109 0.928 12.339 232 HE ARG 31 HE ARG 31 0.392 2.758 14.516 233 1HH1 ARG 31 2HH1 ARG 31 1.813 0.570 12.177 234 2HH1 ARG 31 1HH1 ARG 31 3.282 0.354 13.075 235 1HH2 ARG 31 2HH2 ARG 31 2.333 2.440 15.718 236 2HH2 ARG 31 1HH2 ARG 31 3.569 1.391 15.080 237 H CYS 32 H CYS 32 -1.763 1.672 7.295 238 HA CYS 32 HA CYS 32 -0.321 -0.797 7.681 239 1HB CYS 32 2HB CYS 32 -2.608 0.036 5.922 240 2HB CYS 32 1HB CYS 32 -1.798 -1.511 5.680 241 H LEU 33 H LEU 33 -0.074 1.952 5.688 242 HA LEU 33 HA LEU 33 1.652 0.617 3.748 243 1HB LEU 33 2HB LEU 33 0.023 2.883 3.629 244 2HB LEU 33 1HB LEU 33 1.665 3.502 3.614 245 HG LEU 33 HG LEU 33 1.299 1.248 1.800 246 1HD1 LEU 33 1HD1 LEU 33 -0.181 2.176 0.280 247 2HD1 LEU 33 2HD1 LEU 33 -0.955 2.465 1.838 248 3HD1 LEU 33 3HD1 LEU 33 -0.099 3.773 1.025 249 1HD2 LEU 33 1HD2 LEU 33 2.696 2.464 0.440 250 2HD2 LEU 33 2HD2 LEU 33 2.076 4.017 1.004 251 3HD2 LEU 33 3HD2 LEU 33 3.159 3.074 2.029 252 H LYS 34 H LYS 34 2.224 0.838 6.628 253 HA LYS 34 HA LYS 34 4.327 2.699 7.045 254 1HB LYS 34 2HB LYS 34 4.584 1.695 9.130 255 2HB LYS 34 1HB LYS 34 2.896 1.370 8.770 256 1HG LYS 34 2HG LYS 34 5.126 -0.595 8.283 257 2HG LYS 34 1HG LYS 34 4.150 -0.550 9.751 258 1HD LYS 34 2HD LYS 34 2.437 -1.600 8.763 259 2HD LYS 34 1HD LYS 34 2.534 -0.581 7.322 260 1HE LYS 34 2HE LYS 34 4.787 -2.367 7.436 261 2HE LYS 34 1HE LYS 34 3.281 -3.277 7.571 262 1HZ LYS 34 1HZ LYS 34 2.543 -1.862 5.587 263 2HZ LYS 34 2HZ LYS 34 3.633 -3.129 5.295 264 3HZ LYS 34 3HZ LYS 34 4.192 -1.529 5.375 265 H CYS 35 H CYS 35 6.564 1.994 7.549 266 HA CYS 35 HA CYS 35 7.762 0.621 5.377 267 1HB CYS 35 2HB CYS 35 8.867 2.375 6.779 268 2HB CYS 35 1HB CYS 35 8.914 1.223 8.112 269 H SER 36 H SER 36 8.416 -1.478 5.211 270 HA SER 36 HA SER 36 7.336 -3.383 7.089 271 1HB SER 36 2HB SER 36 9.085 -3.745 4.640 272 2HB SER 36 1HB SER 36 8.386 -5.068 5.578 273 HG SER 36 HG SER 36 6.321 -4.309 5.030 274 H SER 37 H SER 37 9.980 -1.432 7.073 275 HA SER 37 HA SER 37 11.586 -3.332 8.637 276 1HB SER 37 2HB SER 37 13.019 -0.950 7.831 277 2HB SER 37 1HB SER 37 13.393 -2.644 7.505 278 HG SER 37 HG SER 37 11.697 -0.902 6.027 279 H CYS 38 H CYS 38 10.467 0.048 8.485 280 HA CYS 38 HA CYS 38 11.416 0.568 11.184 281 1HB CYS 38 2HB CYS 38 9.818 2.251 9.243 282 2HB CYS 38 1HB CYS 38 10.320 2.797 10.838 283 H GLN 39 H GLN 39 8.462 -0.216 9.531 284 HA GLN 39 HA GLN 39 6.342 -0.661 10.187 285 1HB GLN 39 2HB GLN 39 7.875 -1.246 12.622 286 2HB GLN 39 1HB GLN 39 6.203 -0.787 12.915 287 1HG GLN 39 2HG GLN 39 6.170 -3.114 12.736 288 2HG GLN 39 1HG GLN 39 5.575 -2.531 11.186 289 1HE2 GLN 39 1HE2 GLN 39 6.147 -4.184 9.907 290 2HE2 GLN 39 2HE2 GLN 39 7.788 -4.689 9.646 291 H ALA 40 H ALA 40 7.650 2.032 10.197 292 HA ALA 40 HA ALA 40 5.847 3.506 11.930 293 1HB ALA 40 1HB ALA 40 7.502 5.347 10.711 294 2HB ALA 40 2HB ALA 40 7.697 4.686 12.334 295 3HB ALA 40 3HB ALA 40 8.553 3.956 10.977 296 H GLN 41 H GLN 41 4.447 4.887 11.148 297 HA GLN 41 HA GLN 41 3.135 4.376 8.776 298 1HB GLN 41 2HB GLN 41 2.630 5.881 10.992 299 2HB GLN 41 1HB GLN 41 2.880 7.135 9.785 300 1HG GLN 41 2HG GLN 41 1.220 5.266 8.564 301 2HG GLN 41 1HG GLN 41 0.611 5.428 10.212 302 1HE2 GLN 41 1HE2 GLN 41 -0.066 7.465 10.935 303 2HE2 GLN 41 2HE2 GLN 41 -0.517 8.717 9.818 304 H LEU 42 H LEU 42 3.973 4.594 6.790 305 HA LEU 42 HA LEU 42 5.977 6.541 6.192 306 1HB LEU 42 2HB LEU 42 4.840 4.213 4.925 307 2HB LEU 42 1HB LEU 42 4.968 5.532 3.779 308 HG LEU 42 HG LEU 42 7.299 5.617 3.933 309 1HD1 LEU 42 1HD1 LEU 42 8.586 4.389 5.664 310 2HD1 LEU 42 2HD1 LEU 42 7.576 5.684 6.314 311 3HD1 LEU 42 3HD1 LEU 42 7.060 4.003 6.464 312 1HD2 LEU 42 1HD2 LEU 42 6.372 2.767 4.139 313 2HD2 LEU 42 2HD2 LEU 42 6.730 3.698 2.685 314 3HD2 LEU 42 3HD2 LEU 42 8.039 3.207 3.764 315 H GLY 43 H GLY 43 2.545 6.472 6.054 316 1HA GLY 43 1HA GLY 43 2.194 8.545 4.105 317 2HA GLY 43 2HA GLY 43 1.000 7.999 5.276 318 H ASP 44 H ASP 44 2.931 8.438 7.488 319 HA ASP 44 HA ASP 44 2.115 10.986 8.293 320 1HB ASP 44 2HB ASP 44 2.672 9.466 9.999 321 2HB ASP 44 1HB ASP 44 4.224 9.077 9.268 322 H ILE 45 H ILE 45 4.946 9.944 6.532 323 HA ILE 45 HA ILE 45 6.366 12.414 6.921 324 HB ILE 45 HB ILE 45 8.100 11.538 5.609 325 1HG1 ILE 45 2HG1 ILE 45 6.182 9.455 4.537 326 1HG2 ILE 45 1HG2 ILE 45 8.535 9.367 6.567 327 2HG2 ILE 45 2HG2 ILE 45 7.727 10.383 7.764 328 3HG2 ILE 45 3HG2 ILE 45 6.819 9.136 6.907 329 1HD1 ILE 45 1HD1 ILE 45 8.702 8.906 4.700 330 2HD1 ILE 45 2HD1 ILE 45 7.844 8.623 3.185 331 3HD1 ILE 45 3HD1 ILE 45 8.858 10.055 3.369 332 H GLY 46 H GLY 46 3.803 11.484 4.986 333 1HA GLY 46 1HA GLY 46 2.608 12.664 3.423 334 2HA GLY 46 2HA GLY 46 3.682 14.015 3.743 335 H THR 47 H THR 47 5.378 11.264 2.791 336 HA THR 47 HA THR 47 5.464 12.219 0.009 337 HB THR 47 HB THR 47 7.861 10.811 0.962 338 HG1 THR 47 1HG THR 47 6.925 13.166 2.224 339 1HG2 THR 47 1HG2 THR 47 8.867 12.973 -0.052 340 2HG2 THR 47 2HG2 THR 47 7.225 13.283 -0.615 341 3HG2 THR 47 3HG2 THR 47 8.074 11.824 -1.131 342 H SER 48 H SER 48 6.313 10.498 -1.512 343 HA SER 48 HA SER 48 4.701 8.169 -1.169 344 1HB SER 48 2HB SER 48 6.362 9.325 -3.337 345 2HB SER 48 1HB SER 48 5.938 7.614 -3.421 346 HG SER 48 HG SER 48 4.099 9.767 -3.099 347 H SER 49 H SER 49 5.351 6.024 -1.277 348 HA SER 49 HA SER 49 7.844 5.518 0.138 349 1HB SER 49 2HB SER 49 6.658 3.188 0.309 350 2HB SER 49 1HB SER 49 6.047 4.541 1.265 351 HG SER 49 HG SER 49 4.361 3.470 0.171 352 H TYR 50 H TYR 50 8.615 3.112 -0.420 353 HA TYR 50 HA TYR 50 8.835 2.926 -3.351 354 1HB TYR 50 2HB TYR 50 10.935 2.601 -1.233 355 2HB TYR 50 1HB TYR 50 11.091 1.772 -2.779 356 HD1 TYR 50 1HD TYR 50 12.345 4.421 -1.150 357 HD2 TYR 50 2HD TYR 50 10.249 3.615 -4.768 358 HE1 TYR 50 1HE TYR 50 13.283 6.458 -2.138 359 HE2 TYR 50 2HE TYR 50 11.202 5.655 -5.771 360 HH TYR 50 HH TYR 50 12.969 7.205 -5.506 361 H THR 51 H THR 51 8.699 0.897 -4.253 362 HA THR 51 HA THR 51 7.766 -1.205 -2.414 363 HB THR 51 HB THR 51 6.845 -1.545 -5.123 364 HG1 THR 51 1HG THR 51 7.029 0.796 -5.082 365 1HG2 THR 51 1HG2 THR 51 4.913 -0.842 -3.024 366 2HG2 THR 51 2HG2 THR 51 5.987 -2.182 -2.622 367 3HG2 THR 51 3HG2 THR 51 4.982 -2.258 -4.070 368 H LYS 52 H LYS 52 9.168 -2.840 -2.299 369 HA LYS 52 HA LYS 52 9.985 -4.149 -4.712 370 1HB LYS 52 2HB LYS 52 11.824 -2.325 -3.547 371 2HB LYS 52 1HB LYS 52 12.416 -3.947 -3.210 372 1HG LYS 52 2HG LYS 52 12.486 -4.494 -5.522 373 2HG LYS 52 1HG LYS 52 11.615 -3.021 -5.956 374 1HD LYS 52 2HD LYS 52 13.639 -1.842 -4.787 375 2HD LYS 52 1HD LYS 52 14.454 -3.371 -5.106 376 1HE LYS 52 2HE LYS 52 14.908 -1.909 -6.937 377 2HE LYS 52 1HE LYS 52 13.784 -3.146 -7.497 378 1HZ LYS 52 1HZ LYS 52 12.090 -1.649 -7.697 379 2HZ LYS 52 2HZ LYS 52 13.396 -0.618 -8.015 380 3HZ LYS 52 3HZ LYS 52 12.680 -0.624 -6.483 381 H SER 53 H SER 53 10.500 -6.298 -4.387 382 HA SER 53 HA SER 53 10.490 -8.330 -3.369 383 1HB SER 53 2HB SER 53 11.101 -6.847 -0.797 384 2HB SER 53 1HB SER 53 11.369 -8.564 -1.122 385 HG SER 53 HG SER 53 13.306 -7.387 -1.365 386 H GLY 54 H GLY 54 8.136 -6.401 -3.381 387 1HA GLY 54 1HA GLY 54 5.907 -6.580 -2.816 388 2HA GLY 54 2HA GLY 54 6.280 -8.115 -2.046 389 H MET 55 H MET 55 8.247 -5.616 -0.947 390 HA MET 55 HA MET 55 6.589 -5.313 1.463 391 1HB MET 55 2HB MET 55 8.453 -5.429 2.790 392 2HB MET 55 1HB MET 55 8.981 -6.453 1.464 393 1HG MET 55 2HG MET 55 10.196 -4.562 0.492 394 2HG MET 55 1HG MET 55 9.675 -3.547 1.836 395 1HE MET 55 1HE MET 55 12.474 -4.724 0.437 396 2HE MET 55 2HE MET 55 13.506 -5.552 1.603 397 3HE MET 55 3HE MET 55 12.243 -6.444 0.754 398 H ILE 56 H ILE 56 7.067 -3.247 2.658 399 HA ILE 56 HA ILE 56 7.099 -1.044 0.707 400 HB ILE 56 HB ILE 56 6.130 -0.721 3.527 401 1HG1 ILE 56 2HG1 ILE 56 4.996 -2.718 2.406 402 1HG2 ILE 56 1HG2 ILE 56 5.422 0.621 0.922 403 2HG2 ILE 56 2HG2 ILE 56 4.726 1.013 2.494 404 3HG2 ILE 56 3HG2 ILE 56 6.445 1.281 2.198 405 1HD1 ILE 56 1HD1 ILE 56 4.804 -1.745 0.139 406 2HD1 ILE 56 2HD1 ILE 56 3.273 -2.320 0.801 407 3HD1 ILE 56 3HD1 ILE 56 3.631 -0.594 0.779 408 H LEU 57 H LEU 57 8.801 0.258 0.697 409 HA LEU 57 HA LEU 57 10.598 0.215 3.032 410 1HB LEU 57 2HB LEU 57 11.035 0.134 0.124 411 2HB LEU 57 1HB LEU 57 12.073 1.260 0.972 412 HG LEU 57 HG LEU 57 13.452 -0.429 1.383 413 1HD1 LEU 57 1HD1 LEU 57 12.373 -0.480 3.559 414 2HD1 LEU 57 2HD1 LEU 57 11.177 -1.627 2.957 415 3HD1 LEU 57 3HD1 LEU 57 12.872 -2.101 3.075 416 1HD2 LEU 57 1HD2 LEU 57 12.869 -1.708 -0.440 417 2HD2 LEU 57 2HD2 LEU 57 12.631 -2.842 0.888 418 3HD2 LEU 57 3HD2 LEU 57 11.243 -2.026 0.169 419 H CYS 58 H CYS 58 11.368 2.106 3.863 420 HA CYS 58 HA CYS 58 10.058 4.569 3.053 421 1HB CYS 58 2HB CYS 58 11.272 5.594 4.928 422 2HB CYS 58 1HB CYS 58 10.384 4.174 5.463 423 H ARG 59 H ARG 59 11.571 6.485 2.638 424 HA ARG 59 HA ARG 59 13.182 5.903 0.421 425 1HB ARG 59 2HB ARG 59 12.140 8.127 0.922 426 2HB ARG 59 1HB ARG 59 13.370 8.374 2.154 427 1HG ARG 59 2HG ARG 59 14.469 9.417 0.505 428 2HG ARG 59 1HG ARG 59 14.918 7.783 0.015 429 1HD ARG 59 2HD ARG 59 14.131 8.790 -1.947 430 2HD ARG 59 1HD ARG 59 12.782 7.803 -1.384 431 HE ARG 59 HE ARG 59 12.361 10.279 -0.278 432 1HH1 ARG 59 2HH1 ARG 59 12.648 8.978 -3.529 433 2HH1 ARG 59 1HH1 ARG 59 11.706 10.252 -4.251 434 1HH2 ARG 59 2HH2 ARG 59 11.127 11.924 -1.206 435 2HH2 ARG 59 1HH2 ARG 59 10.858 11.950 -2.928 436 H ASN 60 H ASN 60 13.993 6.519 3.791 437 HA ASN 60 HA ASN 60 16.797 6.447 3.536 438 1HB ASN 60 2HB ASN 60 16.377 7.266 5.585 439 2HB ASN 60 1HB ASN 60 14.815 6.467 5.684 440 1HD2 ASN 60 1HD2 ASN 60 14.609 4.686 6.895 441 2HD2 ASN 60 2HD2 ASN 60 15.910 3.921 7.751 442 H ASP 61 H ASP 61 14.480 3.870 4.405 443 HA ASP 61 HA ASP 61 16.522 1.926 4.762 444 1HB ASP 61 2HB ASP 61 13.555 1.896 4.714 445 2HB ASP 61 1HB ASP 61 14.383 0.363 4.442 446 H TYR 62 H TYR 62 14.525 2.855 2.058 447 HA TYR 62 HA TYR 62 15.007 0.676 0.358 448 1HB TYR 62 2HB TYR 62 13.350 2.483 -0.072 449 2HB TYR 62 1HB TYR 62 14.678 3.584 -0.417 450 HD1 TYR 62 1HD TYR 62 15.503 3.768 -2.589 451 HD2 TYR 62 2HD TYR 62 13.167 0.373 -1.536 452 HE1 TYR 62 1HE TYR 62 15.431 3.098 -4.950 453 HE2 TYR 62 2HE TYR 62 13.090 -0.308 -3.894 454 HH TYR 62 HH TYR 62 13.810 1.695 -6.410 455 H ILE 63 H ILE 63 16.866 3.555 1.087 456 HA ILE 63 HA ILE 63 18.857 3.235 -0.891 457 HB ILE 63 HB ILE 63 18.829 4.723 1.732 458 1HG1 ILE 63 2HG1 ILE 63 18.805 5.759 -1.104 459 1HG2 ILE 63 1HG2 ILE 63 20.828 5.938 0.487 460 2HG2 ILE 63 2HG2 ILE 63 21.097 4.552 1.544 461 3HG2 ILE 63 3HG2 ILE 63 21.048 4.332 -0.206 462 1HD1 ILE 63 1HD1 ILE 63 18.439 7.022 1.560 463 2HD1 ILE 63 2HD1 ILE 63 19.314 7.599 0.140 464 3HD1 ILE 63 3HD1 ILE 63 17.552 7.646 0.168 465 H ARG 64 H ARG 64 18.621 2.148 2.472 466 HA ARG 64 HA ARG 64 21.228 1.002 2.577 467 1HB ARG 64 2HB ARG 64 18.910 -0.006 4.204 468 2HB ARG 64 1HB ARG 64 20.609 0.073 4.641 469 1HG ARG 64 2HG ARG 64 20.497 2.442 4.930 470 2HG ARG 64 1HG ARG 64 18.860 2.492 4.271 471 1HD ARG 64 2HD ARG 64 19.172 2.571 6.836 472 2HD ARG 64 1HD ARG 64 17.931 1.512 6.165 473 HE ARG 64 HE ARG 64 20.592 0.580 7.057 474 1HH1 ARG 64 2HH1 ARG 64 17.112 0.169 6.841 475 2HH1 ARG 64 1HH1 ARG 64 17.142 -1.463 7.463 476 1HH2 ARG 64 2HH2 ARG 64 20.633 -1.549 7.882 477 2HH2 ARG 64 1HH2 ARG 64 19.140 -2.445 8.029 478 H LEU 65 H LEU 65 18.112 -0.092 1.486 479 HA LEU 65 HA LEU 65 18.872 -2.859 1.408 480 1HB LEU 65 2HB LEU 65 16.446 -1.294 1.105 481 2HB LEU 65 1HB LEU 65 16.548 -2.568 -0.094 482 HG LEU 65 HG LEU 65 15.306 -3.367 1.804 483 1HD1 LEU 65 1HD1 LEU 65 16.675 -5.312 2.454 484 2HD1 LEU 65 2HD1 LEU 65 16.687 -5.011 0.714 485 3HD1 LEU 65 3HD1 LEU 65 18.075 -4.546 1.702 486 1HD2 LEU 65 1HD2 LEU 65 16.036 -3.318 4.023 487 2HD2 LEU 65 2HD2 LEU 65 17.700 -2.958 3.564 488 3HD2 LEU 65 3HD2 LEU 65 16.451 -1.724 3.393 489 H PHE 66 H PHE 66 17.856 -0.572 -1.157 490 HA PHE 66 HA PHE 66 19.552 -2.085 -3.034 491 1HB PHE 66 2HB PHE 66 16.893 -1.020 -3.921 492 2HB PHE 66 1HB PHE 66 17.867 -2.300 -4.628 493 HD1 PHE 66 1HD PHE 66 18.014 -4.509 -3.416 494 HD2 PHE 66 2HD PHE 66 15.181 -1.497 -2.404 495 HE1 PHE 66 1HE PHE 66 16.635 -6.196 -2.275 496 HE2 PHE 66 2HE PHE 66 13.801 -3.179 -1.256 497 HZ PHE 66 HZ PHE 66 14.527 -5.530 -1.188 498 H GLY 67 H GLY 67 17.916 0.936 -2.288 499 1HA GLY 67 1HA GLY 67 18.609 2.356 -4.607 500 2HA GLY 67 2HA GLY 67 18.125 3.064 -3.081 501 H ASN 68 H ASN 68 20.802 2.083 -5.083 502 HA ASN 68 HA ASN 68 22.442 4.181 -4.274 503 1HB ASN 68 2HB ASN 68 22.493 2.220 -2.319 504 2HB ASN 68 1HB ASN 68 23.901 1.832 -3.303 505 1HD2 ASN 68 1HD2 ASN 68 22.384 4.227 -1.290 506 2HD2 ASN 68 2HD2 ASN 68 23.809 5.163 -0.985 507 H SER 69 H SER 69 23.241 0.787 -4.767 508 HA SER 69 HA SER 69 23.796 1.148 -7.563 509 1HB SER 69 2HB SER 69 26.104 0.293 -5.803 510 2HB SER 69 1HB SER 69 26.139 0.679 -7.522 511 HG SER 69 HG SER 69 25.245 2.840 -6.498 512 H GLY 70 H GLY 70 21.919 -0.379 -6.312 513 1HA GLY 70 1HA GLY 70 23.071 -3.107 -6.299 514 2HA GLY 70 2HA GLY 70 21.676 -2.612 -5.351 515 H ALA 71 H ALA 71 19.862 -1.672 -6.790 516 HA ALA 71 HA ALA 71 18.186 -2.122 -8.248 517 1HB ALA 71 1HB ALA 71 19.338 -1.322 -10.061 518 2HB ALA 71 2HB ALA 71 20.617 -2.529 -9.922 519 3HB ALA 71 3HB ALA 71 19.043 -2.983 -10.580 520 H GLY 72 H GLY 72 18.191 -4.252 -10.288 521 1HA GLY 72 1HA GLY 72 17.545 -6.473 -8.506 522 2HA GLY 72 2HA GLY 72 17.196 -6.377 -10.229 523 H GLY 73 H GLY 73 19.735 -5.714 -11.164 524 1HA GLY 73 1HA GLY 73 21.523 -7.808 -10.194 525 2HA GLY 73 2HA GLY 73 21.039 -7.878 -11.884 526 H SER 74 H SER 74 23.641 -7.688 -11.486 527 HA SER 74 HA SER 74 25.532 -6.508 -11.873 528 1HB SER 74 2HB SER 74 23.862 -4.385 -13.206 529 2HB SER 74 1HB SER 74 25.493 -4.916 -13.608 530 HG SER 74 HG SER 74 24.619 -6.257 -14.944 531 H GLY 75 H GLY 75 24.107 -3.388 -12.014 532 1HA GLY 75 1HA GLY 75 24.264 -2.897 -9.184 533 2HA GLY 75 2HA GLY 75 25.541 -2.118 -10.107 534 H GLY 76 H GLY 76 24.253 -0.314 -8.943 535 1HA GLY 76 1HA GLY 76 21.936 0.537 -10.527 536 2HA GLY 76 2HA GLY 76 22.457 1.241 -9.000 537 H HIS 77 H HIS 77 21.891 2.438 -11.682 538 HA HIS 77 HA HIS 77 24.215 4.161 -11.820 539 1HB HIS 77 2HB HIS 77 24.508 3.694 -14.304 540 2HB HIS 77 1HB HIS 77 25.076 2.429 -13.220 541 HD1 HIS 77 1HD HIS 77 24.134 0.118 -13.574 542 HD2 HIS 77 2HD HIS 77 21.979 3.064 -15.580 543 HE1 HIS 77 1HE HIS 77 22.403 -1.103 -14.931 544 HE2 HIS 77 2HE HIS 77 21.002 0.707 -15.991 545 H MET 78 H MET 78 21.433 4.543 -11.213 546 HA MET 78 HA MET 78 20.290 5.759 -13.600 547 1HB MET 78 2HB MET 78 18.808 4.463 -12.166 548 2HB MET 78 1HB MET 78 19.197 5.492 -10.795 549 1HG MET 78 2HG MET 78 17.059 6.125 -11.635 550 2HG MET 78 1HG MET 78 18.208 7.408 -12.007 551 1HE MET 78 1HE MET 78 18.361 8.358 -14.762 552 2HE MET 78 2HE MET 78 16.650 8.200 -15.154 553 3HE MET 78 3HE MET 78 17.142 8.608 -13.512 554 H GLY 79 H GLY 79 20.822 6.843 -10.246 555 1HA GLY 79 1HA GLY 79 22.250 9.139 -10.816 556 2HA GLY 79 2HA GLY 79 20.547 9.585 -10.874 557 H SER 80 H SER 80 20.736 10.901 -9.081 558 HA SER 80 HA SER 80 20.700 11.479 -6.881 559 1HB SER 80 2HB SER 80 19.705 8.631 -6.615 560 2HB SER 80 1HB SER 80 19.557 9.876 -5.375 561 HG SER 80 HG SER 80 18.519 10.197 -7.997 562 H GLY 81 H GLY 81 23.237 10.694 -7.763 563 1HA GLY 81 1HA GLY 81 25.303 10.398 -6.770 564 2HA GLY 81 2HA GLY 81 24.482 10.079 -5.248 565 H GLY 82 H GLY 82 24.580 8.066 -4.495 566 1HA GLY 82 1HA GLY 82 24.569 5.742 -4.529 567 2HA GLY 82 2HA GLY 82 24.540 5.791 -6.286 568 H ASP 83 H ASP 83 26.580 6.395 -7.359 569 HA ASP 83 HA ASP 83 28.983 5.907 -5.773 570 1HB ASP 83 2HB ASP 83 28.275 3.727 -6.846 571 2HB ASP 83 1HB ASP 83 28.533 4.492 -8.411 572 H VAL 84 H VAL 84 30.911 6.684 -6.788 573 HA VAL 84 HA VAL 84 30.545 9.171 -8.095 574 HB VAL 84 HB VAL 84 33.164 7.692 -8.043 575 1HG1 VAL 84 1HG1 VAL 84 34.158 9.783 -8.133 576 2HG1 VAL 84 2HG1 VAL 84 32.746 9.980 -9.172 577 3HG1 VAL 84 3HG1 VAL 84 32.721 10.606 -7.523 578 1HG2 VAL 84 1HG2 VAL 84 31.559 8.224 -5.772 579 2HG2 VAL 84 2HG2 VAL 84 33.217 7.628 -5.823 580 3HG2 VAL 84 3HG2 VAL 84 32.905 9.363 -5.748 581 H MET 85 H MET 85 31.902 6.079 -9.196 582 HA MET 85 HA MET 85 31.412 6.957 -11.966 583 1HB MET 85 2HB MET 85 33.831 6.124 -10.744 584 2HB MET 85 1HB MET 85 33.344 4.838 -11.838 585 1HG MET 85 2HG MET 85 33.177 6.487 -13.656 586 2HG MET 85 1HG MET 85 33.742 7.735 -12.547 587 1HE MET 85 1HE MET 85 35.741 7.477 -11.145 588 2HE MET 85 2HE MET 85 36.370 5.835 -10.995 589 3HE MET 85 3HE MET 85 37.304 7.061 -11.850 590 H VAL 86 H VAL 86 29.417 6.001 -12.249 591 HA VAL 86 HA VAL 86 29.024 3.223 -11.498 592 HB VAL 86 HB VAL 86 26.756 3.516 -12.518 593 1HG1 VAL 86 1HG1 VAL 86 27.830 4.656 -10.128 594 2HG1 VAL 86 2HG1 VAL 86 26.496 5.651 -10.711 595 3HG1 VAL 86 3HG1 VAL 86 26.247 3.933 -10.407 596 1HG2 VAL 86 1HG2 VAL 86 26.566 6.324 -12.545 597 2HG2 VAL 86 2HG2 VAL 86 27.965 5.905 -13.533 598 3HG2 VAL 86 3HG2 VAL 86 26.387 5.213 -13.903 599 H VAL 87 H VAL 87 31.084 3.547 -13.335 600 HA VAL 87 HA VAL 87 30.216 3.056 -16.010 601 HB VAL 87 HB VAL 87 32.703 2.067 -16.074 602 1HG1 VAL 87 1HG1 VAL 87 33.086 3.918 -17.258 603 2HG1 VAL 87 2HG1 VAL 87 31.453 4.408 -16.814 604 3HG1 VAL 87 3HG1 VAL 87 32.830 4.962 -15.862 605 1HG2 VAL 87 1HG2 VAL 87 34.106 3.430 -14.510 606 2HG2 VAL 87 2HG2 VAL 87 32.631 3.833 -13.634 607 3HG2 VAL 87 3HG2 VAL 87 33.167 2.157 -13.731 608 H GLY 88 H GLY 88 30.505 1.076 -17.194 609 1HA GLY 88 1HA GLY 88 30.960 -1.336 -17.099 610 2HA GLY 88 2HA GLY 88 30.262 -1.321 -15.486 611 H GLU 89 H GLU 89 28.068 0.426 -16.134 612 HA GLU 89 HA GLU 89 26.551 -1.215 -18.046 613 1HB GLU 89 2HB GLU 89 25.334 -0.083 -15.533 614 2HB GLU 89 1HB GLU 89 24.623 -1.236 -16.650 615 1HG GLU 89 2HG GLU 89 25.300 -2.843 -15.297 616 2HG GLU 89 1HG GLU 89 26.956 -2.452 -15.754 617 HA PRO 90 HA PRO 90 26.177 3.163 -19.281 618 1HB PRO 90 2HB PRO 90 26.143 2.192 -22.007 619 2HB PRO 90 1HB PRO 90 27.366 3.176 -21.202 620 1HG PRO 90 2HG PRO 90 27.783 0.594 -21.989 621 2HG PRO 90 1HG PRO 90 28.640 1.364 -20.643 622 1HD PRO 90 2HD PRO 90 26.308 -0.512 -20.583 623 2HD PRO 90 1HD PRO 90 27.731 -0.447 -19.521 624 H THR 91 H THR 91 24.196 0.477 -19.560 625 HA THR 91 HA THR 91 22.148 1.619 -21.223 626 HB THR 91 HB THR 91 21.010 -0.466 -19.767 627 HG1 THR 91 1HG THR 91 22.702 -1.465 -18.947 628 1HG2 THR 91 1HG2 THR 91 22.532 -0.829 -22.338 629 2HG2 THR 91 2HG2 THR 91 21.009 0.055 -22.261 630 3HG2 THR 91 3HG2 THR 91 21.061 -1.648 -21.811 631 H LEU 92 H LEU 92 21.740 3.611 -20.110 632 HA LEU 92 HA LEU 92 20.739 3.520 -17.393 633 1HB LEU 92 2HB LEU 92 21.813 5.497 -19.125 634 2HB LEU 92 1HB LEU 92 20.202 6.019 -18.668 635 HG LEU 92 HG LEU 92 21.889 5.062 -16.445 636 1HD1 LEU 92 1HD1 LEU 92 23.673 6.306 -16.874 637 2HD1 LEU 92 2HD1 LEU 92 22.922 6.972 -18.326 638 3HD1 LEU 92 3HD1 LEU 92 22.645 7.737 -16.760 639 1HD2 LEU 92 1HD2 LEU 92 20.343 6.184 -15.327 640 2HD2 LEU 92 2HD2 LEU 92 20.806 7.680 -16.140 641 3HD2 LEU 92 3HD2 LEU 92 19.577 6.632 -16.852 642 H MET 93 H MET 93 18.973 2.047 -17.864 643 HA MET 93 HA MET 93 16.708 3.338 -19.243 644 1HB MET 93 2HB MET 93 17.746 0.607 -19.205 645 2HB MET 93 1HB MET 93 16.019 0.683 -18.886 646 1HG MET 93 2HG MET 93 15.518 1.319 -20.979 647 2HG MET 93 1HG MET 93 16.967 2.307 -21.143 648 1HE MET 93 1HE MET 93 15.824 -0.523 -23.521 649 2HE MET 93 2HE MET 93 16.023 -1.834 -22.356 650 3HE MET 93 3HE MET 93 15.038 -0.429 -21.945 651 H GLY 94 H GLY 94 17.630 3.639 -16.411 652 1HA GLY 94 1HA GLY 94 15.747 4.248 -14.824 653 2HA GLY 94 2HA GLY 94 15.257 2.572 -15.032 654 H GLY 95 H GLY 95 15.542 2.851 -12.573 655 1HA GLY 95 1HA GLY 95 17.708 1.296 -11.761 656 2HA GLY 95 2HA GLY 95 18.139 2.977 -11.473 657 H GLU 96 H GLU 96 18.237 2.212 -9.237 658 HA GLU 96 HA GLU 96 15.610 1.911 -7.961 659 1HB GLU 96 2HB GLU 96 17.690 1.746 -6.040 660 2HB GLU 96 1HB GLU 96 16.663 0.450 -6.630 661 1HG GLU 96 2HG GLU 96 18.786 -0.361 -7.011 662 2HG GLU 96 1HG GLU 96 18.337 0.303 -8.579 663 H PHE 97 H PHE 97 18.615 3.766 -7.762 664 HA PHE 97 HA PHE 97 17.618 5.633 -5.848 665 1HB PHE 97 2HB PHE 97 20.097 5.095 -7.140 666 2HB PHE 97 1HB PHE 97 19.704 6.789 -7.412 667 HD1 PHE 97 1HD PHE 97 18.044 6.586 -4.607 668 HD2 PHE 97 2HD PHE 97 22.064 6.016 -5.879 669 HE1 PHE 97 1HE PHE 97 18.836 7.136 -2.344 670 HE2 PHE 97 2HE PHE 97 22.861 6.559 -3.618 671 HZ PHE 97 HZ PHE 97 21.245 7.122 -1.845 672 H GLY 98 H GLY 98 16.559 7.503 -6.141 673 1HA GLY 98 1HA GLY 98 15.562 9.278 -7.325 674 2HA GLY 98 2HA GLY 98 16.117 8.555 -8.834 675 H ASP 99 H ASP 99 15.082 6.643 -9.574 676 HA ASP 99 HA ASP 99 13.356 5.281 -10.090 677 1HB ASP 99 2HB ASP 99 13.765 4.930 -7.476 678 2HB ASP 99 1HB ASP 99 12.122 5.556 -7.396 679 H GLU 100 H GLU 100 11.121 5.107 -10.548 680 HA GLU 100 HA GLU 100 9.680 7.669 -10.403 681 1HB GLU 100 2HB GLU 100 10.060 6.044 -12.585 682 2HB GLU 100 1HB GLU 100 8.483 5.520 -12.011 683 1HG GLU 100 2HG GLU 100 8.255 7.258 -13.676 684 2HG GLU 100 1HG GLU 100 7.677 7.817 -12.107 685 H ASP 101 H ASP 101 10.074 4.819 -8.867 686 HA ASP 101 HA ASP 101 7.420 3.995 -8.329 687 1HB ASP 101 2HB ASP 101 9.805 2.838 -7.959 688 2HB ASP 101 1HB ASP 101 9.542 3.448 -6.327 689 H GLU 102 H GLU 102 9.272 6.598 -7.152 690 HA GLU 102 HA GLU 102 7.961 6.870 -4.612 691 1HB GLU 102 2HB GLU 102 8.895 9.311 -4.931 692 2HB GLU 102 1HB GLU 102 9.983 7.979 -4.564 693 1HG GLU 102 2HG GLU 102 11.038 8.150 -6.520 694 2HG GLU 102 1HG GLU 102 9.534 8.376 -7.413 695 H ARG 103 H ARG 103 5.854 6.507 -5.523 696 HA ARG 103 HA ARG 103 4.303 8.849 -5.785 697 1HB ARG 103 2HB ARG 103 5.383 7.860 -8.238 698 2HB ARG 103 1HB ARG 103 3.669 7.470 -8.221 699 1HG ARG 103 2HG ARG 103 3.046 9.614 -8.460 700 2HG ARG 103 1HG ARG 103 4.325 10.213 -7.400 701 1HD ARG 103 2HD ARG 103 5.707 9.269 -9.588 702 2HD ARG 103 1HD ARG 103 4.258 9.974 -10.303 703 HE ARG 103 HE ARG 103 4.861 12.079 -9.342 704 1HH1 ARG 103 2HH1 ARG 103 7.307 9.603 -9.052 705 2HH1 ARG 103 1HH1 ARG 103 8.602 10.720 -8.756 706 1HH2 ARG 103 2HH2 ARG 103 6.561 13.574 -8.999 707 2HH2 ARG 103 1HH2 ARG 103 8.180 12.987 -8.758 708 H LEU 104 H LEU 104 4.624 6.375 -4.338 709 HA LEU 104 HA LEU 104 2.351 4.751 -5.155 710 1HB LEU 104 2HB LEU 104 4.640 3.787 -4.714 711 2HB LEU 104 1HB LEU 104 4.392 4.162 -3.020 712 HG LEU 104 HG LEU 104 2.180 2.734 -3.415 713 1HD1 LEU 104 1HD1 LEU 104 4.117 1.417 -5.303 714 2HD1 LEU 104 2HD1 LEU 104 2.452 0.953 -4.952 715 3HD1 LEU 104 3HD1 LEU 104 2.784 2.438 -5.844 716 1HD2 LEU 104 1HD2 LEU 104 3.169 1.306 -2.012 717 2HD2 LEU 104 2HD2 LEU 104 4.474 0.956 -3.146 718 3HD2 LEU 104 3HD2 LEU 104 4.565 2.383 -2.113 719 H ILE 105 H ILE 105 2.853 7.298 -3.074 720 HA ILE 105 HA ILE 105 0.793 6.246 -1.262 721 HB ILE 105 HB ILE 105 2.899 8.316 -0.674 722 1HG1 ILE 105 2HG1 ILE 105 2.147 5.623 0.461 723 1HG2 ILE 105 1HG2 ILE 105 1.442 9.353 0.670 724 2HG2 ILE 105 2HG2 ILE 105 0.208 8.115 0.389 725 3HG2 ILE 105 3HG2 ILE 105 1.423 7.886 1.650 726 1HD1 ILE 105 1HD1 ILE 105 3.805 5.801 2.121 727 2HD1 ILE 105 2HD1 ILE 105 4.358 7.360 1.502 728 3HD1 ILE 105 3HD1 ILE 105 2.779 7.226 2.280 729 H THR 106 H THR 106 -0.893 6.732 -2.549 730 HA THR 106 HA THR 106 -1.432 9.537 -3.204 731 HB THR 106 HB THR 106 -3.075 7.082 -3.842 732 HG1 THR 106 1HG THR 106 -0.939 8.321 -5.250 733 1HG2 THR 106 1HG2 THR 106 -3.653 9.807 -4.109 734 2HG2 THR 106 2HG2 THR 106 -4.541 8.447 -4.797 735 3HG2 THR 106 3HG2 THR 106 -3.271 9.237 -5.732 736 H ARG 107 H ARG 107 -2.190 10.586 -1.417 737 HA ARG 107 HA ARG 107 -4.317 9.226 0.103 738 1HB ARG 107 2HB ARG 107 -2.515 9.033 1.557 739 2HB ARG 107 1HB ARG 107 -1.843 10.588 1.093 740 1HG ARG 107 2HG ARG 107 -2.645 10.900 3.265 741 2HG ARG 107 1HG ARG 107 -3.869 11.631 2.226 742 1HD ARG 107 2HD ARG 107 -5.430 10.048 2.718 743 2HD ARG 107 1HD ARG 107 -4.227 8.775 2.931 744 HE ARG 107 HE ARG 107 -3.967 10.679 5.006 745 1HH1 ARG 107 2HH1 ARG 107 -6.155 8.154 3.935 746 2HH1 ARG 107 1HH1 ARG 107 -6.725 7.788 5.537 747 1HH2 ARG 107 2HH2 ARG 107 -4.701 10.206 7.091 748 2HH2 ARG 107 1HH2 ARG 107 -5.872 8.940 7.346 749 H LEU 108 H LEU 108 -6.115 10.260 -0.024 750 HA LEU 108 HA LEU 108 -6.204 13.030 0.671 751 1HB LEU 108 2HB LEU 108 -7.431 13.887 -1.149 752 2HB LEU 108 1HB LEU 108 -6.048 13.069 -1.828 753 HG LEU 108 HG LEU 108 -7.707 12.502 -3.307 754 1HD1 LEU 108 1HD1 LEU 108 -8.255 10.217 -1.472 755 2HD1 LEU 108 2HD1 LEU 108 -8.012 10.230 -3.219 756 3HD1 LEU 108 3HD1 LEU 108 -6.639 10.458 -2.136 757 1HD2 LEU 108 1HD2 LEU 108 -10.010 11.696 -2.400 758 2HD2 LEU 108 2HD2 LEU 108 -9.528 12.587 -0.957 759 3HD2 LEU 108 3HD2 LEU 108 -9.643 13.415 -2.508 760 H GLU 109 H GLU 109 -8.440 13.696 1.224 761 HA GLU 109 HA GLU 109 -10.190 11.428 1.852 762 1HB GLU 109 2HB GLU 109 -8.547 12.842 3.754 763 2HB GLU 109 1HB GLU 109 -10.250 13.090 4.113 764 1HG GLU 109 2HG GLU 109 -9.352 10.330 3.539 765 2HG GLU 109 1HG GLU 109 -8.888 11.045 5.082 766 H ASN 110 H ASN 110 -12.280 12.267 2.854 767 HA ASN 110 HA ASN 110 -13.631 13.809 1.024 768 1HB ASN 110 2HB ASN 110 -14.715 12.432 2.787 769 2HB ASN 110 1HB ASN 110 -14.312 13.673 3.971 770 1HD2 ASN 110 1HD2 ASN 110 -16.084 14.738 4.497 771 2HD2 ASN 110 2HD2 ASN 110 -17.297 15.301 3.390 772 H THR 111 H THR 111 -12.877 15.725 0.353 773 HA THR 111 HA THR 111 -12.341 17.927 0.305 774 HB THR 111 HB THR 111 -13.593 18.548 2.922 775 HG1 THR 111 1HG THR 111 -14.850 17.074 0.906 776 1HG2 THR 111 1HG2 THR 111 -14.365 20.445 1.816 777 2HG2 THR 111 2HG2 THR 111 -14.307 19.665 0.235 778 3HG2 THR 111 3HG2 THR 111 -12.811 20.148 1.036 779 H GLN 112 H GLN 112 -10.600 16.016 1.727 780 HA GLN 112 HA GLN 112 -8.975 17.983 3.180 781 1HB GLN 112 2HB GLN 112 -10.294 15.669 4.335 782 2HB GLN 112 1HB GLN 112 -8.549 15.557 4.514 783 1HG GLN 112 2HG GLN 112 -8.457 17.247 5.997 784 2HG GLN 112 1HG GLN 112 -9.738 18.162 5.197 785 1HE2 GLN 112 1HE2 GLN 112 -11.927 17.528 5.579 786 2HE2 GLN 112 2HE2 GLN 112 -12.364 16.715 7.049 787 H PHE 113 H PHE 113 -6.714 17.243 3.426 788 HA PHE 113 HA PHE 113 -5.901 15.640 1.107 789 1HB PHE 113 2HB PHE 113 -4.527 17.672 2.826 790 2HB PHE 113 1HB PHE 113 -3.554 16.463 1.998 791 HD1 PHE 113 1HD PHE 113 -3.196 19.315 1.469 792 HD2 PHE 113 2HD PHE 113 -5.881 16.524 -0.297 793 HE1 PHE 113 1HE PHE 113 -3.260 20.674 -0.581 794 HE2 PHE 113 2HE PHE 113 -5.945 17.876 -2.349 795 HZ PHE 113 HZ PHE 113 -4.633 19.955 -2.493 796 H ASP 114 H ASP 114 -5.646 15.868 4.593 797 HA ASP 114 HA ASP 114 -5.295 12.988 4.739 798 1HB ASP 114 2HB ASP 114 -2.977 13.784 4.789 799 2HB ASP 114 1HB ASP 114 -3.376 14.906 6.087 800 H ALA 115 H ALA 115 -7.146 12.597 5.815 801 HA ALA 115 HA ALA 115 -8.058 14.388 7.896 802 1HB ALA 115 1HB ALA 115 -9.512 11.879 7.661 803 2HB ALA 115 2HB ALA 115 -10.082 13.537 7.492 804 3HB ALA 115 3HB ALA 115 -9.347 12.716 6.117 805 H ALA 116 H ALA 116 -8.686 13.533 10.038 806 HA ALA 116 HA ALA 116 -6.564 11.775 11.037 807 1HB ALA 116 1HB ALA 116 -6.493 13.131 12.796 808 2HB ALA 116 2HB ALA 116 -7.675 14.161 11.984 809 3HB ALA 116 3HB ALA 116 -8.216 12.906 13.101 810 H ASN 117 H ASN 117 -9.141 11.011 9.662 811 HA ASN 117 HA ASN 117 -10.606 9.293 9.687 812 1HB ASN 117 2HB ASN 117 -8.715 7.959 10.572 813 2HB ASN 117 1HB ASN 117 -9.196 8.395 12.210 814 1HD2 ASN 117 1HD2 ASN 117 -10.345 6.863 9.264 815 2HD2 ASN 117 2HD2 ASN 117 -11.439 5.759 10.044 816 H GLY 118 H GLY 118 -12.444 10.443 9.984 817 1HA GLY 118 1HA GLY 118 -13.449 10.554 12.767 818 2HA GLY 118 2HA GLY 118 -13.706 11.872 11.631 819 H ILE 119 H ILE 119 -14.381 8.451 12.186 820 HA ILE 119 HA ILE 119 -16.291 8.226 10.104 821 HB ILE 119 HB ILE 119 -16.342 6.439 12.507 822 1HG1 ILE 119 2HG1 ILE 119 -14.386 5.980 10.272 823 1HG2 ILE 119 1HG2 ILE 119 -17.346 4.951 11.138 824 2HG2 ILE 119 2HG2 ILE 119 -17.758 6.404 10.228 825 3HG2 ILE 119 3HG2 ILE 119 -16.379 5.420 9.740 826 1HD1 ILE 119 1HD1 ILE 119 -14.569 4.062 11.564 827 2HD1 ILE 119 2HD1 ILE 119 -13.150 4.879 12.219 828 3HD1 ILE 119 3HD1 ILE 119 -14.691 4.971 13.071 829 H ASP 120 H ASP 120 -18.212 9.130 10.044 830 HA ASP 120 HA ASP 120 -19.810 9.221 12.509 831 1HB ASP 120 2HB ASP 120 -18.942 11.517 11.856 832 2HB ASP 120 1HB ASP 120 -19.923 11.382 10.400 833 H ASP 121 H ASP 121 -20.492 10.230 9.182 834 HA ASP 121 HA ASP 121 -22.732 8.361 9.054 835 1HB ASP 121 2HB ASP 121 -23.414 10.264 7.951 836 2HB ASP 121 1HB ASP 121 -21.789 10.665 7.409 837 H GLU 122 H GLU 122 -19.599 8.969 7.577 838 HA GLU 122 HA GLU 122 -19.213 6.164 7.135 839 1HB GLU 122 2HB GLU 122 -20.110 7.815 4.967 840 2HB GLU 122 1HB GLU 122 -18.457 7.300 4.652 841 1HG GLU 122 2HG GLU 122 -19.103 4.981 4.932 842 2HG GLU 122 1HG GLU 122 -20.751 5.469 5.321 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -14.514 8.432 -11.962 2 2H GLY 1 2H GLY 1 -13.175 9.007 -11.091 3 3H GLY 1 3H GLY 1 -14.635 8.682 -10.289 4 1HA GLY 1 2HA GLY 1 -13.900 6.353 -11.635 5 2HA GLY 1 1HA GLY 1 -12.483 6.943 -10.775 6 H SER 2 H SER 2 -12.322 5.708 -9.021 7 HA SER 2 HA SER 2 -12.787 4.695 -7.051 8 1HB SER 2 2HB SER 2 -14.986 6.549 -6.363 9 2HB SER 2 1HB SER 2 -13.522 6.149 -5.469 10 HG SER 2 HG SER 2 -13.966 8.333 -6.799 11 H LEU 3 H LEU 3 -14.182 3.565 -9.249 12 HA LEU 3 HA LEU 3 -16.899 3.069 -8.438 13 1HB LEU 3 2HB LEU 3 -15.825 3.035 -10.830 14 2HB LEU 3 1HB LEU 3 -15.456 1.368 -10.429 15 HG LEU 3 HG LEU 3 -18.239 2.041 -9.890 16 1HD1 LEU 3 1HD1 LEU 3 -17.555 3.506 -11.916 17 2HD1 LEU 3 2HD1 LEU 3 -17.542 1.978 -12.793 18 3HD1 LEU 3 3HD1 LEU 3 -19.020 2.531 -12.008 19 1HD2 LEU 3 1HD2 LEU 3 -16.652 -0.176 -10.641 20 2HD2 LEU 3 2HD2 LEU 3 -18.361 -0.149 -10.211 21 3HD2 LEU 3 3HD2 LEU 3 -17.872 0.053 -11.893 22 H SER 4 H SER 4 -13.809 1.481 -8.086 23 HA SER 4 HA SER 4 -15.043 -0.904 -6.958 24 1HB SER 4 2HB SER 4 -12.085 -0.474 -6.963 25 2HB SER 4 1HB SER 4 -13.008 -1.950 -7.252 26 HG SER 4 HG SER 4 -13.540 -1.200 -9.290 27 H TRP 5 H TRP 5 -14.925 -1.491 -4.822 28 HA TRP 5 HA TRP 5 -14.660 0.651 -2.957 29 1HB TRP 5 2HB TRP 5 -15.875 -1.908 -3.003 30 2HB TRP 5 1HB TRP 5 -14.775 -1.875 -1.625 31 HD1 TRP 5 HD TRP 5 -17.038 0.955 -2.995 32 HE1 TRP 5 1HE TRP 5 -18.544 1.773 -1.075 33 HE3 TRP 5 3HE TRP 5 -15.553 -2.317 0.629 34 HZ2 TRP 5 2HZ TRP 5 -19.022 1.117 1.633 35 HZ3 TRP 5 3HZ TRP 5 -16.566 -2.155 2.858 36 HH2 TRP 5 HH TRP 5 -18.269 -0.474 3.351 37 H LYS 6 H LYS 6 -12.826 -2.309 -3.604 38 HA LYS 6 HA LYS 6 -10.666 -2.885 -3.189 39 1HB LYS 6 2HB LYS 6 -10.505 0.053 -2.630 40 2HB LYS 6 1HB LYS 6 -9.161 -0.987 -2.182 41 1HG LYS 6 2HG LYS 6 -8.497 -0.336 -4.258 42 2HG LYS 6 1HG LYS 6 -9.383 -1.807 -4.666 43 1HD LYS 6 2HD LYS 6 -10.424 -0.466 -6.150 44 2HD LYS 6 1HD LYS 6 -11.379 0.022 -4.747 45 1HE LYS 6 2HE LYS 6 -9.304 1.689 -4.470 46 2HE LYS 6 1HE LYS 6 -9.271 1.475 -6.221 47 1HZ LYS 6 1HZ LYS 6 -10.835 3.230 -4.880 48 2HZ LYS 6 2HZ LYS 6 -11.909 1.955 -5.185 49 3HZ LYS 6 3HZ LYS 6 -11.096 2.703 -6.471 50 H ARG 7 H ARG 7 -9.121 -3.206 -1.338 51 HA ARG 7 HA ARG 7 -10.306 -2.815 1.296 52 1HB ARG 7 2HB ARG 7 -10.059 -5.176 1.910 53 2HB ARG 7 1HB ARG 7 -11.211 -4.970 0.601 54 1HG ARG 7 2HG ARG 7 -10.106 -6.593 -0.437 55 2HG ARG 7 1HG ARG 7 -8.835 -5.402 -0.721 56 1HD ARG 7 2HD ARG 7 -8.014 -7.524 0.279 57 2HD ARG 7 1HD ARG 7 -7.660 -6.097 1.250 58 HE ARG 7 HE ARG 7 -10.036 -7.054 2.243 59 1HH1 ARG 7 2HH1 ARG 7 -6.765 -8.277 1.844 60 2HH1 ARG 7 1HH1 ARG 7 -6.884 -9.397 3.175 61 1HH2 ARG 7 2HH2 ARG 7 -10.206 -8.558 3.970 62 2HH2 ARG 7 1HH2 ARG 7 -8.851 -9.582 4.356 63 H CYS 8 H CYS 8 -8.760 -3.517 3.039 64 HA CYS 8 HA CYS 8 -6.270 -2.295 2.500 65 1HB CYS 8 2HB CYS 8 -7.528 -2.305 4.714 66 2HB CYS 8 1HB CYS 8 -6.899 -3.932 4.951 67 H ALA 9 H ALA 9 -4.268 -3.069 2.357 68 HA ALA 9 HA ALA 9 -3.937 -5.990 2.118 69 1HB ALA 9 1HB ALA 9 -2.291 -5.697 0.530 70 2HB ALA 9 2HB ALA 9 -3.365 -4.347 0.151 71 3HB ALA 9 3HB ALA 9 -1.893 -4.070 1.087 72 H GLY 10 H GLY 10 -3.643 -3.518 4.204 73 1HA GLY 10 1HA GLY 10 -1.039 -4.262 5.314 74 2HA GLY 10 2HA GLY 10 -2.060 -2.934 5.845 75 H CYS 11 H CYS 11 -4.474 -4.368 6.163 76 HA CYS 11 HA CYS 11 -3.734 -6.292 8.253 77 1HB CYS 11 2HB CYS 11 -5.711 -5.585 9.559 78 2HB CYS 11 1HB CYS 11 -4.531 -4.300 9.375 79 H GLY 12 H GLY 12 -6.978 -5.439 7.223 80 1HA GLY 12 1HA GLY 12 -7.491 -7.166 5.180 81 2HA GLY 12 2HA GLY 12 -7.548 -8.199 6.604 82 H GLY 13 H GLY 13 -9.263 -6.052 4.649 83 1HA GLY 13 1HA GLY 13 -11.754 -6.462 5.542 84 2HA GLY 13 2HA GLY 13 -11.155 -5.238 6.657 85 H LYS 14 H LYS 14 -13.173 -5.323 4.407 86 HA LYS 14 HA LYS 14 -12.327 -3.693 2.298 87 1HB LYS 14 2HB LYS 14 -14.990 -4.325 3.509 88 2HB LYS 14 1HB LYS 14 -14.875 -3.062 2.291 89 1HG LYS 14 2HG LYS 14 -13.616 -5.678 1.692 90 2HG LYS 14 1HG LYS 14 -15.377 -5.573 1.659 91 1HD LYS 14 2HD LYS 14 -14.737 -3.359 0.259 92 2HD LYS 14 1HD LYS 14 -13.368 -4.392 -0.152 93 1HE LYS 14 2HE LYS 14 -15.276 -4.573 -1.734 94 2HE LYS 14 1HE LYS 14 -14.827 -6.102 -0.981 95 1HZ LYS 14 1HZ LYS 14 -16.992 -6.264 -0.527 96 2HZ LYS 14 2HZ LYS 14 -17.290 -4.614 -0.797 97 3HZ LYS 14 3HZ LYS 14 -16.708 -5.136 0.708 98 H ILE 15 H ILE 15 -11.998 -1.563 2.109 99 HA ILE 15 HA ILE 15 -12.020 -0.063 4.582 100 HB ILE 15 HB ILE 15 -10.871 0.780 1.930 101 1HG1 ILE 15 2HG1 ILE 15 -9.961 -1.211 3.905 102 1HG2 ILE 15 1HG2 ILE 15 -9.514 1.721 4.291 103 2HG2 ILE 15 2HG2 ILE 15 -10.227 2.639 2.966 104 3HG2 ILE 15 3HG2 ILE 15 -11.222 2.153 4.338 105 1HD1 ILE 15 1HD1 ILE 15 -8.109 0.973 3.036 106 2HD1 ILE 15 2HD1 ILE 15 -8.320 0.268 4.640 107 3HD1 ILE 15 3HD1 ILE 15 -7.533 -0.661 3.362 108 H ALA 16 H ALA 16 -13.851 0.913 5.055 109 HA ALA 16 HA ALA 16 -15.190 2.504 2.959 110 1HB ALA 16 1HB ALA 16 -16.250 1.376 5.549 111 2HB ALA 16 2HB ALA 16 -17.139 2.506 4.526 112 3HB ALA 16 3HB ALA 16 -16.706 0.912 3.908 113 H ASP 17 H ASP 17 -12.781 3.096 4.617 114 HA ASP 17 HA ASP 17 -13.459 5.026 6.591 115 1HB ASP 17 2HB ASP 17 -11.009 3.958 5.374 116 2HB ASP 17 1HB ASP 17 -10.892 5.649 5.855 117 H ARG 18 H ARG 18 -13.561 7.210 6.498 118 HA ARG 18 HA ARG 18 -14.083 8.474 3.978 119 1HB ARG 18 2HB ARG 18 -14.907 9.075 6.429 120 2HB ARG 18 1HB ARG 18 -13.433 10.034 6.447 121 1HG ARG 18 2HG ARG 18 -14.172 11.442 4.756 122 2HG ARG 18 1HG ARG 18 -15.403 10.300 4.211 123 1HD ARG 18 2HD ARG 18 -15.423 11.783 6.841 124 2HD ARG 18 1HD ARG 18 -16.370 12.215 5.417 125 HE ARG 18 HE ARG 18 -17.402 9.922 5.687 126 1HH1 ARG 18 2HH1 ARG 18 -16.108 11.724 8.411 127 2HH1 ARG 18 1HH1 ARG 18 -17.156 10.964 9.572 128 1HH2 ARG 18 2HH2 ARG 18 -18.781 8.930 7.216 129 2HH2 ARG 18 1HH2 ARG 18 -18.686 9.385 8.892 130 H PHE 19 H PHE 19 -11.480 8.369 6.316 131 HA PHE 19 HA PHE 19 -9.701 9.755 4.414 132 1HB PHE 19 2HB PHE 19 -9.325 9.398 7.391 133 2HB PHE 19 1HB PHE 19 -8.340 10.386 6.319 134 HD1 PHE 19 1HD PHE 19 -10.724 11.573 4.775 135 HD2 PHE 19 2HD PHE 19 -9.900 11.115 8.918 136 HE1 PHE 19 1HE PHE 19 -12.153 13.513 5.265 137 HE2 PHE 19 2HE PHE 19 -11.332 13.050 9.419 138 HZ PHE 19 HZ PHE 19 -12.460 14.253 7.591 139 H LEU 20 H LEU 20 -8.623 8.217 3.277 140 HA LEU 20 HA LEU 20 -7.160 6.240 4.811 141 1HB LEU 20 2HB LEU 20 -7.876 4.336 3.627 142 2HB LEU 20 1HB LEU 20 -9.315 5.176 4.141 143 HG LEU 20 HG LEU 20 -9.888 4.450 2.028 144 1HD1 LEU 20 1HD1 LEU 20 -9.990 6.323 0.523 145 2HD1 LEU 20 2HD1 LEU 20 -10.281 6.859 2.179 146 3HD1 LEU 20 3HD1 LEU 20 -8.715 7.150 1.421 147 1HD2 LEU 20 1HD2 LEU 20 -7.334 3.896 1.611 148 2HD2 LEU 20 2HD2 LEU 20 -8.513 3.951 0.302 149 3HD2 LEU 20 3HD2 LEU 20 -7.454 5.330 0.595 150 H LEU 21 H LEU 21 -5.425 5.258 3.733 151 HA LEU 21 HA LEU 21 -4.417 6.798 1.427 152 1HB LEU 21 2HB LEU 21 -3.264 6.696 3.856 153 2HB LEU 21 1HB LEU 21 -2.576 5.239 3.168 154 HG LEU 21 HG LEU 21 -2.378 7.814 1.659 155 1HD1 LEU 21 1HD1 LEU 21 -1.602 8.438 3.831 156 2HD1 LEU 21 2HD1 LEU 21 -0.651 6.958 3.968 157 3HD1 LEU 21 3HD1 LEU 21 -0.198 8.191 2.791 158 1HD2 LEU 21 1HD2 LEU 21 -0.022 6.380 1.487 159 2HD2 LEU 21 2HD2 LEU 21 -1.272 5.133 1.515 160 3HD2 LEU 21 3HD2 LEU 21 -1.322 6.404 0.292 161 H TYR 22 H TYR 22 -3.381 5.551 -0.252 162 HA TYR 22 HA TYR 22 -3.346 2.686 0.083 163 1HB TYR 22 2HB TYR 22 -4.763 2.201 -1.850 164 2HB TYR 22 1HB TYR 22 -5.644 3.000 -0.559 165 HD1 TYR 22 1HD TYR 22 -6.091 5.514 -0.813 166 HD2 TYR 22 2HD TYR 22 -4.835 3.017 -4.016 167 HE1 TYR 22 1HE TYR 22 -7.029 7.115 -2.419 168 HE2 TYR 22 2HE TYR 22 -5.758 4.611 -5.634 169 HH TYR 22 HH TYR 22 -6.563 7.748 -4.899 170 H ALA 23 H ALA 23 -2.391 1.543 -1.675 171 HA ALA 23 HA ALA 23 -0.941 3.026 -3.664 172 1HB ALA 23 1HB ALA 23 0.548 1.635 -1.433 173 2HB ALA 23 2HB ALA 23 1.286 2.245 -2.914 174 3HB ALA 23 3HB ALA 23 0.542 3.366 -1.774 175 H MET 24 H MET 24 0.253 1.574 -5.118 176 HA MET 24 HA MET 24 0.438 -0.282 -6.419 177 1HB MET 24 2HB MET 24 0.031 -1.514 -3.710 178 2HB MET 24 1HB MET 24 0.140 -2.527 -5.138 179 1HG MET 24 2HG MET 24 2.346 -2.290 -5.281 180 2HG MET 24 1HG MET 24 2.276 -0.558 -4.960 181 1HE MET 24 1HE MET 24 2.107 -3.834 -1.773 182 2HE MET 24 2HE MET 24 1.471 -3.889 -3.418 183 3HE MET 24 3HE MET 24 3.197 -4.098 -3.133 184 H ASP 25 H ASP 25 -2.150 1.048 -6.080 185 HA ASP 25 HA ASP 25 -4.238 0.872 -6.939 186 1HB ASP 25 2HB ASP 25 -2.896 -1.466 -8.079 187 2HB ASP 25 1HB ASP 25 -4.640 -1.657 -7.930 188 H SER 26 H SER 26 -3.168 -0.770 -4.353 189 HA SER 26 HA SER 26 -5.826 -1.873 -3.708 190 1HB SER 26 2HB SER 26 -3.588 -2.577 -1.927 191 2HB SER 26 1HB SER 26 -4.830 -3.611 -2.633 192 HG SER 26 HG SER 26 -3.103 -2.662 -4.507 193 H TYR 27 H TYR 27 -6.556 -1.487 -1.463 194 HA TYR 27 HA TYR 27 -5.761 1.194 -0.626 195 1HB TYR 27 2HB TYR 27 -8.119 -0.556 -0.041 196 2HB TYR 27 1HB TYR 27 -7.709 0.748 1.066 197 HD1 TYR 27 1HD TYR 27 -6.764 1.689 -2.192 198 HD2 TYR 27 2HD TYR 27 -10.161 1.300 0.349 199 HE1 TYR 27 1HE TYR 27 -8.001 3.261 -3.604 200 HE2 TYR 27 2HE TYR 27 -11.405 2.883 -1.062 201 HH TYR 27 HH TYR 27 -11.368 4.176 -2.862 202 H TRP 28 H TRP 28 -5.355 1.659 1.612 203 HA TRP 28 HA TRP 28 -4.443 -0.578 3.261 204 1HB TRP 28 2HB TRP 28 -2.740 1.842 2.590 205 2HB TRP 28 1HB TRP 28 -2.319 0.600 3.755 206 HD1 TRP 28 HD TRP 28 -2.824 1.017 -0.052 207 HE1 TRP 28 1HE TRP 28 -1.296 -0.671 -1.259 208 HE3 TRP 28 3HE TRP 28 -1.009 -1.471 4.018 209 HZ2 TRP 28 2HZ TRP 28 0.449 -2.769 -0.562 210 HZ3 TRP 28 3HZ TRP 28 0.588 -3.303 3.669 211 HH2 TRP 28 HH TRP 28 1.303 -3.942 1.424 212 H HIS 29 H HIS 29 -3.690 0.408 5.424 213 HA HIS 29 HA HIS 29 -5.321 2.764 6.076 214 1HB HIS 29 2HB HIS 29 -4.375 0.501 7.832 215 2HB HIS 29 1HB HIS 29 -4.831 2.064 8.508 216 HD2 HIS 29 2HD HIS 29 -7.585 2.790 7.894 217 HE1 HIS 29 1HE HIS 29 -8.703 -1.282 7.512 218 HE2 HIS 29 2HE HIS 29 -9.555 1.115 7.626 219 H SER 30 H SER 30 -4.139 4.368 7.420 220 HA SER 30 HA SER 30 -1.819 5.131 6.209 221 1HB SER 30 2HB SER 30 -2.254 5.916 9.069 222 2HB SER 30 1HB SER 30 -1.729 6.901 7.701 223 HG SER 30 HG SER 30 -3.751 7.493 7.672 224 H ARG 31 H ARG 31 -2.070 3.318 9.266 225 HA ARG 31 HA ARG 31 0.843 3.053 9.308 226 1HB ARG 31 2HB ARG 31 -1.175 3.166 11.313 227 2HB ARG 31 1HB ARG 31 -0.372 1.607 11.435 228 1HG ARG 31 2HG ARG 31 1.542 2.503 12.187 229 2HG ARG 31 1HG ARG 31 1.433 3.899 11.113 230 1HD ARG 31 2HD ARG 31 1.239 4.713 13.341 231 2HD ARG 31 1HD ARG 31 -0.368 4.792 12.618 232 HE ARG 31 HE ARG 31 0.523 2.747 14.551 233 1HH1 ARG 31 2HH1 ARG 31 -1.988 4.686 13.063 234 2HH1 ARG 31 1HH1 ARG 31 -3.261 4.034 14.050 235 1HH2 ARG 31 2HH2 ARG 31 -1.137 1.889 15.855 236 2HH2 ARG 31 1HH2 ARG 31 -2.769 2.460 15.665 237 H CYS 32 H CYS 32 -1.697 1.447 7.939 238 HA CYS 32 HA CYS 32 -0.757 -1.258 8.375 239 1HB CYS 32 2HB CYS 32 -2.905 -0.014 6.690 240 2HB CYS 32 1HB CYS 32 -2.392 -1.671 6.390 241 H LEU 33 H LEU 33 -0.511 1.280 5.974 242 HA LEU 33 HA LEU 33 0.883 -0.265 4.017 243 1HB LEU 33 2HB LEU 33 -0.199 1.744 3.297 244 2HB LEU 33 1HB LEU 33 0.624 2.699 4.513 245 HG LEU 33 HG LEU 33 2.784 2.212 3.298 246 1HD1 LEU 33 1HD1 LEU 33 1.787 0.233 2.063 247 2HD1 LEU 33 2HD1 LEU 33 1.015 1.416 1.006 248 3HD1 LEU 33 3HD1 LEU 33 2.775 1.348 1.119 249 1HD2 LEU 33 1HD2 LEU 33 2.482 4.237 2.452 250 2HD2 LEU 33 2HD2 LEU 33 1.397 3.597 1.215 251 3HD2 LEU 33 3HD2 LEU 33 0.755 4.089 2.783 252 H LYS 34 H LYS 34 2.060 2.436 5.963 253 HA LYS 34 HA LYS 34 4.049 2.916 6.942 254 1HB LYS 34 2HB LYS 34 4.374 1.613 8.788 255 2HB LYS 34 1HB LYS 34 2.800 1.017 8.291 256 1HG LYS 34 2HG LYS 34 4.785 -0.539 6.982 257 2HG LYS 34 1HG LYS 34 5.199 -0.430 8.693 258 1HD LYS 34 2HD LYS 34 3.305 -1.535 9.361 259 2HD LYS 34 1HD LYS 34 2.374 -1.011 7.956 260 1HE LYS 34 2HE LYS 34 4.260 -2.524 6.758 261 2HE LYS 34 1HE LYS 34 4.132 -3.351 8.307 262 1HZ LYS 34 1HZ LYS 34 1.808 -2.727 6.569 263 2HZ LYS 34 2HZ LYS 34 1.807 -3.687 7.959 264 3HZ LYS 34 3HZ LYS 34 2.616 -4.217 6.566 265 H CYS 35 H CYS 35 6.315 1.710 7.560 266 HA CYS 35 HA CYS 35 7.535 1.087 4.971 267 1HB CYS 35 2HB CYS 35 8.523 2.948 6.270 268 2HB CYS 35 1HB CYS 35 8.804 1.849 7.615 269 H SER 36 H SER 36 8.662 -0.834 4.685 270 HA SER 36 HA SER 36 7.927 -3.004 6.408 271 1HB SER 36 2HB SER 36 9.983 -3.097 4.197 272 2HB SER 36 1HB SER 36 8.996 -4.420 4.820 273 HG SER 36 HG SER 36 7.291 -2.602 4.052 274 H SER 37 H SER 37 10.275 -0.661 6.596 275 HA SER 37 HA SER 37 12.017 -2.396 8.213 276 1HB SER 37 2HB SER 37 13.265 0.095 7.445 277 2HB SER 37 1HB SER 37 13.797 -1.556 7.152 278 HG SER 37 HG SER 37 11.980 -0.031 5.590 279 H CYS 38 H CYS 38 10.618 0.870 7.965 280 HA CYS 38 HA CYS 38 11.385 1.530 10.676 281 1HB CYS 38 2HB CYS 38 9.543 2.930 8.733 282 2HB CYS 38 1HB CYS 38 9.970 3.554 10.322 283 H GLN 39 H GLN 39 8.412 0.716 8.957 284 HA GLN 39 HA GLN 39 6.399 -0.080 9.612 285 1HB GLN 39 2HB GLN 39 7.870 -0.734 12.168 286 2HB GLN 39 1HB GLN 39 6.218 -1.226 11.829 287 1HG GLN 39 2HG GLN 39 6.859 -2.722 10.185 288 2HG GLN 39 1HG GLN 39 8.425 -1.945 9.949 289 1HE2 GLN 39 1HE2 GLN 39 9.608 -3.804 10.247 290 2HE2 GLN 39 2HE2 GLN 39 9.755 -4.591 11.784 291 H ALA 40 H ALA 40 7.422 2.706 10.264 292 HA ALA 40 HA ALA 40 5.565 3.420 12.406 293 1HB ALA 40 1HB ALA 40 8.034 4.193 12.294 294 2HB ALA 40 2HB ALA 40 7.446 5.341 11.087 295 3HB ALA 40 3HB ALA 40 6.787 5.366 12.725 296 H GLN 41 H GLN 41 5.349 6.165 11.448 297 HA GLN 41 HA GLN 41 3.172 5.748 9.580 298 1HB GLN 41 2HB GLN 41 3.215 7.351 11.640 299 2HB GLN 41 1HB GLN 41 4.061 8.443 10.551 300 1HG GLN 41 2HG GLN 41 1.731 8.980 10.541 301 2HG GLN 41 1HG GLN 41 2.161 8.285 8.981 302 1HE2 GLN 41 1HE2 GLN 41 -0.114 8.300 11.320 303 2HE2 GLN 41 2HE2 GLN 41 -0.833 6.744 11.046 304 H LEU 42 H LEU 42 3.992 5.289 7.628 305 HA LEU 42 HA LEU 42 6.284 6.381 6.464 306 1HB LEU 42 2HB LEU 42 4.993 4.294 5.802 307 2HB LEU 42 1HB LEU 42 3.892 5.356 4.947 308 HG LEU 42 HG LEU 42 5.767 6.131 3.533 309 1HD1 LEU 42 1HD1 LEU 42 7.298 4.171 5.210 310 2HD1 LEU 42 2HD1 LEU 42 7.820 4.602 3.581 311 3HD1 LEU 42 3HD1 LEU 42 7.694 5.848 4.824 312 1HD2 LEU 42 1HD2 LEU 42 4.867 4.573 2.231 313 2HD2 LEU 42 2HD2 LEU 42 6.170 3.511 2.764 314 3HD2 LEU 42 3HD2 LEU 42 4.612 3.477 3.588 315 H GLY 43 H GLY 43 3.054 7.621 6.676 316 1HA GLY 43 1HA GLY 43 3.533 9.611 4.596 317 2HA GLY 43 2HA GLY 43 2.026 9.353 5.459 318 H ASP 44 H ASP 44 4.528 9.413 7.677 319 HA ASP 44 HA ASP 44 3.857 12.187 8.370 320 1HB ASP 44 2HB ASP 44 3.634 10.165 9.999 321 2HB ASP 44 1HB ASP 44 5.380 10.329 10.170 322 H ILE 45 H ILE 45 6.303 10.364 6.999 323 HA ILE 45 HA ILE 45 8.373 12.335 7.696 324 HB ILE 45 HB ILE 45 9.829 10.544 6.416 325 1HG1 ILE 45 2HG1 ILE 45 8.369 8.389 7.577 326 1HG2 ILE 45 1HG2 ILE 45 10.629 9.920 8.449 327 2HG2 ILE 45 2HG2 ILE 45 9.614 11.266 8.965 328 3HG2 ILE 45 3HG2 ILE 45 9.024 9.609 9.110 329 1HD1 ILE 45 1HD1 ILE 45 9.572 9.047 5.028 330 2HD1 ILE 45 2HD1 ILE 45 9.420 7.489 5.842 331 3HD1 ILE 45 3HD1 ILE 45 8.091 8.105 4.858 332 H GLY 46 H GLY 46 6.269 12.931 5.923 333 1HA GLY 46 1HA GLY 46 6.399 14.259 3.913 334 2HA GLY 46 2HA GLY 46 7.737 13.236 3.389 335 H THR 47 H THR 47 6.834 12.503 1.481 336 HA THR 47 HA THR 47 4.821 10.446 1.905 337 HB THR 47 HB THR 47 3.980 11.433 -0.527 338 HG1 THR 47 1HG THR 47 4.618 13.589 1.219 339 1HG2 THR 47 1HG2 THR 47 2.578 10.569 1.309 340 2HG2 THR 47 2HG2 THR 47 1.953 12.078 0.644 341 3HG2 THR 47 3HG2 THR 47 2.816 12.085 2.182 342 H SER 48 H SER 48 6.096 8.789 1.385 343 HA SER 48 HA SER 48 6.868 8.422 -1.354 344 1HB SER 48 2HB SER 48 8.985 8.656 0.810 345 2HB SER 48 1HB SER 48 9.277 7.898 -0.754 346 HG SER 48 HG SER 48 8.171 10.234 -1.256 347 H SER 49 H SER 49 7.002 6.285 -1.863 348 HA SER 49 HA SER 49 7.224 4.288 0.232 349 1HB SER 49 2HB SER 49 5.119 3.247 -1.186 350 2HB SER 49 1HB SER 49 4.974 4.071 0.366 351 HG SER 49 HG SER 49 4.931 6.042 -1.135 352 H TYR 50 H TYR 50 8.456 2.675 -0.488 353 HA TYR 50 HA TYR 50 8.942 2.566 -3.383 354 1HB TYR 50 2HB TYR 50 10.667 2.176 -0.995 355 2HB TYR 50 1HB TYR 50 11.035 1.227 -2.435 356 HD1 TYR 50 1HD TYR 50 10.908 4.578 -0.996 357 HD2 TYR 50 2HD TYR 50 11.795 2.292 -4.467 358 HE1 TYR 50 1HE TYR 50 12.056 6.517 -1.968 359 HE2 TYR 50 2HE TYR 50 12.959 4.227 -5.446 360 HH TYR 50 HH TYR 50 13.934 6.270 -4.895 361 H THR 51 H THR 51 7.681 1.067 -4.236 362 HA THR 51 HA THR 51 7.276 -1.477 -2.902 363 HB THR 51 HB THR 51 6.265 -0.478 -5.566 364 HG1 THR 51 1HG THR 51 4.577 -0.864 -3.366 365 1HG2 THR 51 1HG2 THR 51 6.241 -3.095 -4.372 366 2HG2 THR 51 2HG2 THR 51 5.627 -2.586 -5.945 367 3HG2 THR 51 3HG2 THR 51 4.592 -2.484 -4.521 368 H LYS 52 H LYS 52 9.036 -2.708 -2.980 369 HA LYS 52 HA LYS 52 9.889 -3.737 -5.541 370 1HB LYS 52 2HB LYS 52 11.441 -1.719 -4.185 371 2HB LYS 52 1HB LYS 52 12.331 -3.234 -4.201 372 1HG LYS 52 2HG LYS 52 12.912 -2.905 -6.306 373 2HG LYS 52 1HG LYS 52 11.217 -2.808 -6.788 374 1HD LYS 52 2HD LYS 52 11.263 -0.565 -6.931 375 2HD LYS 52 1HD LYS 52 12.225 -0.396 -5.461 376 1HE LYS 52 2HE LYS 52 14.165 -0.312 -6.594 377 2HE LYS 52 1HE LYS 52 13.667 -1.561 -7.731 378 1HZ LYS 52 1HZ LYS 52 13.764 1.213 -8.131 379 2HZ LYS 52 2HZ LYS 52 12.136 0.728 -8.232 380 3HZ LYS 52 3HZ LYS 52 13.300 0.000 -9.228 381 H SER 53 H SER 53 10.350 -5.851 -5.339 382 HA SER 53 HA SER 53 10.670 -7.910 -4.412 383 1HB SER 53 2HB SER 53 11.653 -6.337 -2.014 384 2HB SER 53 1HB SER 53 11.725 -8.097 -2.155 385 HG SER 53 HG SER 53 12.791 -7.297 -4.351 386 H GLY 54 H GLY 54 8.248 -6.142 -4.084 387 1HA GLY 54 1HA GLY 54 6.120 -6.493 -3.233 388 2HA GLY 54 2HA GLY 54 6.728 -7.906 -2.380 389 H MET 55 H MET 55 8.753 -5.384 -1.750 390 HA MET 55 HA MET 55 7.580 -4.986 0.890 391 1HB MET 55 2HB MET 55 10.312 -4.587 -0.282 392 2HB MET 55 1HB MET 55 9.861 -3.741 1.192 393 1HG MET 55 2HG MET 55 9.315 -5.937 2.211 394 2HG MET 55 1HG MET 55 9.945 -6.713 0.760 395 1HE MET 55 1HE MET 55 12.952 -7.761 1.751 396 2HE MET 55 2HE MET 55 11.795 -7.493 0.445 397 3HE MET 55 3HE MET 55 13.289 -6.555 0.508 398 H ILE 56 H ILE 56 7.758 -2.807 1.814 399 HA ILE 56 HA ILE 56 7.507 -0.628 -0.128 400 HB ILE 56 HB ILE 56 5.478 -1.182 2.052 401 1HG1 ILE 56 2HG1 ILE 56 4.296 -0.671 -0.479 402 1HG2 ILE 56 1HG2 ILE 56 4.766 0.935 1.995 403 2HG2 ILE 56 2HG2 ILE 56 6.341 1.300 1.285 404 3HG2 ILE 56 3HG2 ILE 56 4.941 1.044 0.243 405 1HD1 ILE 56 1HD1 ILE 56 2.979 -2.291 0.224 406 2HD1 ILE 56 2HD1 ILE 56 4.298 -3.455 0.093 407 3HD1 ILE 56 3HD1 ILE 56 4.063 -2.555 1.592 408 H LEU 57 H LEU 57 9.402 0.314 0.519 409 HA LEU 57 HA LEU 57 9.711 0.881 3.393 410 1HB LEU 57 2HB LEU 57 12.034 1.312 1.653 411 2HB LEU 57 1HB LEU 57 11.927 0.516 3.211 412 HG LEU 57 HG LEU 57 10.688 -1.061 1.109 413 1HD1 LEU 57 1HD1 LEU 57 13.340 0.129 0.632 414 2HD1 LEU 57 2HD1 LEU 57 13.206 -1.609 0.363 415 3HD1 LEU 57 3HD1 LEU 57 12.150 -0.499 -0.510 416 1HD2 LEU 57 1HD2 LEU 57 11.236 -2.548 2.664 417 2HD2 LEU 57 2HD2 LEU 57 12.924 -2.343 2.205 418 3HD2 LEU 57 3HD2 LEU 57 12.240 -1.367 3.503 419 H CYS 58 H CYS 58 11.358 2.864 3.595 420 HA CYS 58 HA CYS 58 10.014 5.120 2.348 421 1HB CYS 58 2HB CYS 58 11.469 6.470 3.896 422 2HB CYS 58 1HB CYS 58 10.372 5.363 4.709 423 H ARG 59 H ARG 59 11.658 6.977 1.774 424 HA ARG 59 HA ARG 59 13.110 6.119 -0.485 425 1HB ARG 59 2HB ARG 59 12.112 8.455 0.102 426 2HB ARG 59 1HB ARG 59 13.663 8.733 0.882 427 1HG ARG 59 2HG ARG 59 14.378 9.438 -1.102 428 2HG ARG 59 1HG ARG 59 14.364 7.744 -1.594 429 1HD ARG 59 2HD ARG 59 12.992 8.467 -3.228 430 2HD ARG 59 1HD ARG 59 11.762 8.402 -1.961 431 HE ARG 59 HE ARG 59 12.113 10.796 -1.628 432 1HH1 ARG 59 2HH1 ARG 59 13.350 9.343 -4.547 433 2HH1 ARG 59 1HH1 ARG 59 13.358 10.824 -5.458 434 1HH2 ARG 59 2HH2 ARG 59 12.093 12.770 -2.821 435 2HH2 ARG 59 1HH2 ARG 59 12.603 12.766 -4.483 436 H ASN 60 H ASN 60 14.075 6.896 2.807 437 HA ASN 60 HA ASN 60 16.876 6.735 2.271 438 1HB ASN 60 2HB ASN 60 16.005 8.061 4.139 439 2HB ASN 60 1HB ASN 60 15.397 6.595 4.904 440 1HD2 ASN 60 1HD2 ASN 60 16.618 6.019 6.547 441 2HD2 ASN 60 2HD2 ASN 60 18.349 6.132 6.628 442 H ASP 61 H ASP 61 14.494 4.505 3.685 443 HA ASP 61 HA ASP 61 16.414 2.518 4.346 444 1HB ASP 61 2HB ASP 61 13.425 2.551 4.169 445 2HB ASP 61 1HB ASP 61 14.268 1.012 4.322 446 H TYR 62 H TYR 62 14.738 3.312 1.436 447 HA TYR 62 HA TYR 62 14.899 0.853 0.099 448 1HB TYR 62 2HB TYR 62 13.584 2.581 -0.896 449 2HB TYR 62 1HB TYR 62 14.955 3.691 -0.936 450 HD1 TYR 62 1HD TYR 62 13.803 0.425 -2.296 451 HD2 TYR 62 2HD TYR 62 16.258 3.853 -2.861 452 HE1 TYR 62 1HE TYR 62 14.400 -0.377 -4.538 453 HE2 TYR 62 2HE TYR 62 16.862 3.058 -5.105 454 HH TYR 62 HH TYR 62 15.643 1.448 -6.873 455 H ILE 63 H ILE 63 17.228 3.478 0.467 456 HA ILE 63 HA ILE 63 19.187 2.401 -1.273 457 HB ILE 63 HB ILE 63 19.983 4.101 1.051 458 1HG1 ILE 63 2HG1 ILE 63 17.843 5.056 0.239 459 1HG2 ILE 63 1HG2 ILE 63 20.807 4.764 -1.684 460 2HG2 ILE 63 2HG2 ILE 63 21.765 4.623 -0.210 461 3HG2 ILE 63 3HG2 ILE 63 21.320 3.176 -1.118 462 1HD1 ILE 63 1HD1 ILE 63 17.996 6.233 -2.025 463 2HD1 ILE 63 2HD1 ILE 63 19.241 5.042 -2.403 464 3HD1 ILE 63 3HD1 ILE 63 17.605 4.513 -2.003 465 H ARG 64 H ARG 64 18.397 1.922 2.068 466 HA ARG 64 HA ARG 64 20.776 0.502 2.776 467 1HB ARG 64 2HB ARG 64 19.498 1.568 4.522 468 2HB ARG 64 1HB ARG 64 18.044 0.697 4.061 469 1HG ARG 64 2HG ARG 64 19.621 -1.386 4.610 470 2HG ARG 64 1HG ARG 64 20.361 -0.184 5.669 471 1HD ARG 64 2HD ARG 64 17.412 -0.815 5.615 472 2HD ARG 64 1HD ARG 64 18.560 -1.531 6.747 473 HE ARG 64 HE ARG 64 18.644 1.329 6.773 474 1HH1 ARG 64 2HH1 ARG 64 16.879 -1.443 7.985 475 2HH1 ARG 64 1HH1 ARG 64 16.285 -0.610 9.391 476 1HH2 ARG 64 2HH2 ARG 64 17.899 2.416 8.648 477 2HH2 ARG 64 1HH2 ARG 64 16.882 1.575 9.783 478 H LEU 65 H LEU 65 17.506 -0.373 1.793 479 HA LEU 65 HA LEU 65 17.908 -3.166 2.090 480 1HB LEU 65 2HB LEU 65 15.762 -1.370 1.362 481 2HB LEU 65 1HB LEU 65 15.764 -2.795 0.341 482 HG LEU 65 HG LEU 65 14.294 -3.111 2.251 483 1HD1 LEU 65 1HD1 LEU 65 14.830 -5.266 2.362 484 2HD1 LEU 65 2HD1 LEU 65 16.258 -4.863 1.406 485 3HD1 LEU 65 3HD1 LEU 65 16.362 -4.919 3.166 486 1HD2 LEU 65 1HD2 LEU 65 16.115 -3.402 4.389 487 2HD2 LEU 65 2HD2 LEU 65 16.405 -1.820 3.664 488 3HD2 LEU 65 3HD2 LEU 65 14.791 -2.249 4.231 489 H PHE 66 H PHE 66 17.448 -1.203 -0.867 490 HA PHE 66 HA PHE 66 18.719 -3.412 -2.347 491 1HB PHE 66 2HB PHE 66 16.726 -1.453 -3.483 492 2HB PHE 66 1HB PHE 66 17.269 -2.972 -4.188 493 HD1 PHE 66 1HD PHE 66 14.628 -1.448 -2.564 494 HD2 PHE 66 2HD PHE 66 16.882 -5.057 -2.525 495 HE1 PHE 66 1HE PHE 66 12.743 -2.610 -1.493 496 HE2 PHE 66 2HE PHE 66 14.999 -6.224 -1.455 497 HZ PHE 66 HZ PHE 66 12.928 -4.998 -0.936 498 H GLY 67 H GLY 67 18.685 0.045 -1.865 499 1HA GLY 67 1HA GLY 67 20.536 1.431 -2.284 500 2HA GLY 67 2HA GLY 67 21.189 0.204 -3.355 501 H ASN 68 H ASN 68 20.480 0.114 -5.502 502 HA ASN 68 HA ASN 68 18.567 1.959 -6.573 503 1HB ASN 68 2HB ASN 68 21.239 2.896 -6.210 504 2HB ASN 68 1HB ASN 68 21.001 2.644 -7.933 505 1HD2 ASN 68 1HD2 ASN 68 19.171 3.953 -5.186 506 2HD2 ASN 68 2HD2 ASN 68 18.634 5.376 -6.012 507 H SER 69 H SER 69 18.143 1.504 -8.808 508 HA SER 69 HA SER 69 19.192 -1.099 -9.623 509 1HB SER 69 2HB SER 69 17.103 0.268 -11.237 510 2HB SER 69 1HB SER 69 17.228 -1.424 -10.755 511 HG SER 69 HG SER 69 16.343 0.793 -9.222 512 H GLY 70 H GLY 70 20.814 1.345 -9.857 513 1HA GLY 70 1HA GLY 70 22.483 1.911 -11.355 514 2HA GLY 70 2HA GLY 70 21.725 0.862 -12.544 515 H ALA 71 H ALA 71 20.271 3.590 -10.831 516 HA ALA 71 HA ALA 71 19.888 4.887 -13.446 517 1HB ALA 71 1HB ALA 71 18.168 4.809 -10.991 518 2HB ALA 71 2HB ALA 71 17.982 6.082 -12.196 519 3HB ALA 71 3HB ALA 71 17.749 4.395 -12.651 520 H GLY 72 H GLY 72 19.589 7.315 -13.237 521 1HA GLY 72 1HA GLY 72 20.495 8.930 -11.230 522 2HA GLY 72 2HA GLY 72 21.970 8.369 -12.011 523 H GLY 73 H GLY 73 22.661 10.157 -13.064 524 1HA GLY 73 1HA GLY 73 20.823 11.757 -14.662 525 2HA GLY 73 2HA GLY 73 22.563 11.989 -14.516 526 H SER 74 H SER 74 22.796 8.998 -14.967 527 HA SER 74 HA SER 74 23.324 9.042 -17.748 528 1HB SER 74 2HB SER 74 23.330 6.413 -17.167 529 2HB SER 74 1HB SER 74 24.660 7.484 -16.720 530 HG SER 74 HG SER 74 24.148 7.267 -14.675 531 H GLY 75 H GLY 75 20.589 8.157 -15.805 532 1HA GLY 75 1HA GLY 75 18.574 8.344 -17.521 533 2HA GLY 75 2HA GLY 75 19.251 6.789 -17.987 534 H GLY 76 H GLY 76 17.197 5.883 -17.370 535 1HA GLY 76 1HA GLY 76 16.999 5.531 -14.445 536 2HA GLY 76 2HA GLY 76 15.581 5.623 -15.481 537 H HIS 77 H HIS 77 15.265 3.521 -14.246 538 HA HIS 77 HA HIS 77 15.762 1.360 -16.039 539 1HB HIS 77 2HB HIS 77 17.805 1.780 -14.202 540 2HB HIS 77 1HB HIS 77 16.835 0.511 -13.461 541 HD1 HIS 77 1HD HIS 77 18.598 -1.313 -13.861 542 HD2 HIS 77 2HD HIS 77 17.329 0.586 -17.337 543 HE1 HIS 77 1HE HIS 77 19.452 -2.727 -15.758 544 HE2 HIS 77 2HE HIS 77 18.549 -1.643 -17.845 545 H MET 78 H MET 78 13.412 2.074 -15.553 546 HA MET 78 HA MET 78 11.363 1.623 -14.705 547 1HB MET 78 2HB MET 78 12.494 -0.804 -15.097 548 2HB MET 78 1HB MET 78 12.175 -0.888 -13.369 549 1HG MET 78 2HG MET 78 10.053 -1.347 -13.759 550 2HG MET 78 1HG MET 78 9.867 0.161 -14.653 551 1HE MET 78 1HE MET 78 8.460 -1.371 -17.663 552 2HE MET 78 2HE MET 78 7.851 -1.618 -16.026 553 3HE MET 78 3HE MET 78 8.537 -0.059 -16.487 554 H GLY 79 H GLY 79 12.819 3.316 -13.194 555 1HA GLY 79 1HA GLY 79 11.625 3.012 -10.602 556 2HA GLY 79 2HA GLY 79 13.368 2.775 -10.567 557 H SER 80 H SER 80 11.438 4.954 -12.543 558 HA SER 80 HA SER 80 11.437 7.193 -12.817 559 1HB SER 80 2HB SER 80 12.410 7.071 -9.965 560 2HB SER 80 1HB SER 80 12.314 8.609 -10.826 561 HG SER 80 HG SER 80 10.147 6.780 -10.581 562 H GLY 81 H GLY 81 13.062 9.170 -12.771 563 1HA GLY 81 1HA GLY 81 15.336 9.861 -13.120 564 2HA GLY 81 2HA GLY 81 15.769 8.177 -13.390 565 H GLY 82 H GLY 82 13.858 7.391 -15.197 566 1HA GLY 82 1HA GLY 82 12.961 8.709 -17.261 567 2HA GLY 82 2HA GLY 82 14.679 8.934 -17.546 568 H ASP 83 H ASP 83 12.013 6.758 -17.706 569 HA ASP 83 HA ASP 83 13.627 4.481 -18.496 570 1HB ASP 83 2HB ASP 83 10.978 4.873 -17.562 571 2HB ASP 83 1HB ASP 83 10.858 4.170 -19.170 572 H VAL 84 H VAL 84 14.253 6.579 -20.086 573 HA VAL 84 HA VAL 84 12.672 6.401 -22.528 574 HB VAL 84 HB VAL 84 15.136 8.071 -22.409 575 1HG1 VAL 84 1HG1 VAL 84 14.115 9.297 -24.025 576 2HG1 VAL 84 2HG1 VAL 84 13.244 7.785 -24.272 577 3HG1 VAL 84 3HG1 VAL 84 12.510 9.082 -23.330 578 1HG2 VAL 84 1HG2 VAL 84 13.767 8.260 -20.201 579 2HG2 VAL 84 2HG2 VAL 84 14.292 9.724 -21.034 580 3HG2 VAL 84 3HG2 VAL 84 12.628 9.162 -21.202 581 H MET 85 H MET 85 16.038 5.932 -21.486 582 HA MET 85 HA MET 85 16.787 4.867 -24.054 583 1HB MET 85 2HB MET 85 19.000 4.605 -23.134 584 2HB MET 85 1HB MET 85 18.374 6.177 -22.659 585 1HG MET 85 2HG MET 85 18.289 3.757 -20.882 586 2HG MET 85 1HG MET 85 19.616 4.917 -20.887 587 1HE MET 85 1HE MET 85 18.467 7.410 -21.505 588 2HE MET 85 2HE MET 85 17.293 8.140 -20.408 589 3HE MET 85 3HE MET 85 18.940 7.830 -19.859 590 H VAL 86 H VAL 86 15.526 3.638 -21.121 591 HA VAL 86 HA VAL 86 16.432 0.939 -21.429 592 HB VAL 86 HB VAL 86 13.897 1.356 -19.976 593 1HG1 VAL 86 1HG1 VAL 86 14.847 -0.153 -18.444 594 2HG1 VAL 86 2HG1 VAL 86 15.407 -0.702 -20.025 595 3HG1 VAL 86 3HG1 VAL 86 16.489 0.212 -18.976 596 1HG2 VAL 86 1HG2 VAL 86 14.552 3.269 -18.991 597 2HG2 VAL 86 2HG2 VAL 86 15.637 2.229 -18.068 598 3HG2 VAL 86 3HG2 VAL 86 16.228 3.072 -19.500 599 H VAL 87 H VAL 87 14.866 -0.860 -21.799 600 HA VAL 87 HA VAL 87 13.300 -1.957 -23.066 601 HB VAL 87 HB VAL 87 12.342 0.825 -23.715 602 1HG1 VAL 87 1HG1 VAL 87 11.328 0.173 -25.579 603 2HG1 VAL 87 2HG1 VAL 87 12.156 -1.379 -25.459 604 3HG1 VAL 87 3HG1 VAL 87 10.564 -1.170 -24.730 605 1HG2 VAL 87 1HG2 VAL 87 11.112 -1.549 -22.327 606 2HG2 VAL 87 2HG2 VAL 87 11.628 -0.033 -21.589 607 3HG2 VAL 87 3HG2 VAL 87 10.252 -0.053 -22.693 608 H GLY 88 H GLY 88 14.677 0.892 -24.698 609 1HA GLY 88 1HA GLY 88 15.287 -0.599 -27.108 610 2HA GLY 88 2HA GLY 88 15.803 1.044 -26.728 611 H GLU 89 H GLU 89 17.143 0.861 -24.461 612 HA GLU 89 HA GLU 89 19.249 -1.152 -24.915 613 1HB GLU 89 2HB GLU 89 19.772 1.303 -23.298 614 2HB GLU 89 1HB GLU 89 20.888 0.333 -24.249 615 1HG GLU 89 2HG GLU 89 18.839 1.674 -25.835 616 2HG GLU 89 1HG GLU 89 19.903 2.769 -24.956 617 HA PRO 90 HA PRO 90 17.135 -2.355 -21.085 618 1HB PRO 90 2HB PRO 90 18.048 -4.935 -21.114 619 2HB PRO 90 1HB PRO 90 16.630 -4.381 -22.008 620 1HG PRO 90 2HG PRO 90 19.427 -4.820 -22.971 621 2HG PRO 90 1HG PRO 90 17.892 -5.232 -23.760 622 1HD PRO 90 2HD PRO 90 19.319 -3.064 -24.466 623 2HD PRO 90 1HD PRO 90 17.545 -3.071 -24.496 624 H THR 91 H THR 91 20.486 -3.316 -21.837 625 HA THR 91 HA THR 91 21.139 -3.522 -19.035 626 HB THR 91 HB THR 91 23.253 -3.566 -21.133 627 HG1 THR 91 1HG THR 91 21.105 -5.416 -20.875 628 1HG2 THR 91 1HG2 THR 91 23.436 -4.051 -18.569 629 2HG2 THR 91 2HG2 THR 91 24.297 -5.074 -19.722 630 3HG2 THR 91 3HG2 THR 91 22.775 -5.625 -19.018 631 H LEU 92 H LEU 92 21.106 -1.583 -18.056 632 HA LEU 92 HA LEU 92 23.220 0.287 -18.724 633 1HB LEU 92 2HB LEU 92 21.163 1.073 -19.944 634 2HB LEU 92 1HB LEU 92 20.373 1.243 -18.389 635 HG LEU 92 HG LEU 92 22.788 2.678 -18.194 636 1HD1 LEU 92 1HD1 LEU 92 22.008 2.526 -20.899 637 2HD1 LEU 92 2HD1 LEU 92 21.588 4.142 -20.328 638 3HD1 LEU 92 3HD1 LEU 92 23.245 3.556 -20.175 639 1HD2 LEU 92 1HD2 LEU 92 20.128 3.939 -18.740 640 2HD2 LEU 92 2HD2 LEU 92 20.414 3.044 -17.246 641 3HD2 LEU 92 3HD2 LEU 92 21.401 4.454 -17.633 642 H MET 93 H MET 93 24.145 1.049 -16.898 643 HA MET 93 HA MET 93 22.631 1.058 -14.411 644 1HB MET 93 2HB MET 93 24.470 -1.055 -15.124 645 2HB MET 93 1HB MET 93 25.020 -0.210 -13.684 646 1HG MET 93 2HG MET 93 22.862 -0.594 -12.620 647 2HG MET 93 1HG MET 93 22.294 -1.430 -14.064 648 1HE MET 93 1HE MET 93 22.972 -4.817 -13.669 649 2HE MET 93 2HE MET 93 22.522 -3.450 -14.688 650 3HE MET 93 3HE MET 93 24.158 -4.103 -14.763 651 H GLY 94 H GLY 94 22.930 3.211 -14.178 652 1HA GLY 94 1HA GLY 94 25.583 4.385 -14.323 653 2HA GLY 94 2HA GLY 94 24.089 5.217 -13.908 654 H GLY 95 H GLY 95 23.214 4.872 -11.747 655 1HA GLY 95 1HA GLY 95 23.453 4.031 -9.522 656 2HA GLY 95 2HA GLY 95 25.177 3.848 -9.812 657 H GLU 96 H GLU 96 23.317 6.712 -10.599 658 HA GLU 96 HA GLU 96 24.935 8.228 -8.668 659 1HB GLU 96 2HB GLU 96 23.298 9.233 -11.004 660 2HB GLU 96 1HB GLU 96 24.341 10.209 -9.976 661 1HG GLU 96 2HG GLU 96 26.079 9.768 -11.268 662 2HG GLU 96 1HG GLU 96 25.855 8.035 -11.028 663 H PHE 97 H PHE 97 22.630 6.618 -7.945 664 HA PHE 97 HA PHE 97 20.698 6.664 -6.771 665 1HB PHE 97 2HB PHE 97 22.058 7.951 -5.177 666 2HB PHE 97 1HB PHE 97 21.633 9.444 -6.007 667 HD1 PHE 97 1HD PHE 97 20.621 10.545 -4.173 668 HD2 PHE 97 2HD PHE 97 19.262 6.682 -5.347 669 HE1 PHE 97 1HE PHE 97 18.639 10.807 -2.741 670 HE2 PHE 97 2HE PHE 97 17.279 6.945 -3.919 671 HZ PHE 97 HZ PHE 97 16.966 9.008 -2.611 672 H GLY 98 H GLY 98 19.814 6.691 -9.030 673 1HA GLY 98 1HA GLY 98 18.226 9.140 -9.498 674 2HA GLY 98 2HA GLY 98 18.677 7.988 -10.750 675 H ASP 99 H ASP 99 18.016 6.113 -8.223 676 HA ASP 99 HA ASP 99 15.499 5.258 -9.262 677 1HB ASP 99 2HB ASP 99 17.520 4.138 -7.678 678 2HB ASP 99 1HB ASP 99 16.100 4.190 -6.641 679 H GLU 100 H GLU 100 14.311 7.248 -8.961 680 HA GLU 100 HA GLU 100 13.496 7.826 -6.205 681 1HB GLU 100 2HB GLU 100 12.255 9.296 -8.459 682 2HB GLU 100 1HB GLU 100 12.837 9.896 -6.914 683 1HG GLU 100 2HG GLU 100 15.099 9.049 -8.357 684 2HG GLU 100 1HG GLU 100 14.095 9.973 -9.471 685 H ASP 101 H ASP 101 12.881 5.349 -7.237 686 HA ASP 101 HA ASP 101 10.352 5.182 -8.489 687 1HB ASP 101 2HB ASP 101 12.272 3.493 -8.475 688 2HB ASP 101 1HB ASP 101 11.660 2.983 -6.907 689 H GLU 102 H GLU 102 9.877 6.803 -6.357 690 HA GLU 102 HA GLU 102 8.390 5.094 -4.498 691 1HB GLU 102 2HB GLU 102 8.040 7.415 -3.326 692 2HB GLU 102 1HB GLU 102 9.533 6.515 -3.104 693 1HG GLU 102 2HG GLU 102 10.660 8.283 -3.783 694 2HG GLU 102 1HG GLU 102 9.903 8.129 -5.372 695 H ARG 103 H ARG 103 7.123 8.160 -4.458 696 HA ARG 103 HA ARG 103 5.089 8.993 -5.059 697 1HB ARG 103 2HB ARG 103 5.650 7.958 -7.827 698 2HB ARG 103 1HB ARG 103 4.813 9.428 -7.359 699 1HG ARG 103 2HG ARG 103 7.761 8.920 -7.021 700 2HG ARG 103 1HG ARG 103 7.023 9.859 -8.317 701 1HD ARG 103 2HD ARG 103 7.462 10.546 -5.473 702 2HD ARG 103 1HD ARG 103 7.574 11.556 -6.911 703 HE ARG 103 HE ARG 103 5.032 11.455 -6.863 704 1HH1 ARG 103 2HH1 ARG 103 6.949 11.081 -3.952 705 2HH1 ARG 103 1HH1 ARG 103 5.805 11.914 -2.943 706 1HH2 ARG 103 2HH2 ARG 103 3.518 12.527 -5.534 707 2HH2 ARG 103 1HH2 ARG 103 3.863 12.770 -3.847 708 H LEU 104 H LEU 104 4.858 6.416 -3.987 709 HA LEU 104 HA LEU 104 2.791 5.195 -5.676 710 1HB LEU 104 2HB LEU 104 4.751 4.124 -3.740 711 2HB LEU 104 1HB LEU 104 3.173 3.358 -3.743 712 HG LEU 104 HG LEU 104 4.179 3.679 -6.440 713 1HD1 LEU 104 1HD1 LEU 104 6.265 3.343 -4.791 714 2HD1 LEU 104 2HD1 LEU 104 5.783 1.661 -5.011 715 3HD1 LEU 104 3HD1 LEU 104 6.185 2.654 -6.412 716 1HD2 LEU 104 1HD2 LEU 104 3.714 1.092 -5.018 717 2HD2 LEU 104 2HD2 LEU 104 2.362 2.150 -5.415 718 3HD2 LEU 104 3HD2 LEU 104 3.393 1.519 -6.698 719 H ILE 105 H ILE 105 3.309 6.897 -2.725 720 HA ILE 105 HA ILE 105 0.998 6.033 -1.339 721 HB ILE 105 HB ILE 105 2.816 8.387 -1.085 722 1HG1 ILE 105 2HG1 ILE 105 1.787 6.453 0.993 723 1HG2 ILE 105 1HG2 ILE 105 0.049 8.225 0.069 724 2HG2 ILE 105 2HG2 ILE 105 1.338 9.097 0.900 725 3HG2 ILE 105 3HG2 ILE 105 0.844 9.587 -0.720 726 1HD1 ILE 105 1HD1 ILE 105 4.204 8.227 0.878 727 2HD1 ILE 105 2HD1 ILE 105 2.889 8.253 2.055 728 3HD1 ILE 105 3HD1 ILE 105 4.019 6.900 2.022 729 H THR 106 H THR 106 -0.928 6.113 -2.176 730 HA THR 106 HA THR 106 -1.767 8.513 -3.667 731 HB THR 106 HB THR 106 -3.357 5.988 -3.758 732 HG1 THR 106 1HG THR 106 -0.797 5.882 -4.238 733 1HG2 THR 106 1HG2 THR 106 -4.369 7.115 -5.381 734 2HG2 THR 106 2HG2 THR 106 -2.862 7.165 -6.294 735 3HG2 THR 106 3HG2 THR 106 -3.247 8.456 -5.159 736 H ARG 107 H ARG 107 -3.253 9.769 -2.681 737 HA ARG 107 HA ARG 107 -4.850 8.558 -0.528 738 1HB ARG 107 2HB ARG 107 -2.734 10.033 0.085 739 2HB ARG 107 1HB ARG 107 -3.860 11.350 -0.210 740 1HG ARG 107 2HG ARG 107 -4.966 9.255 1.484 741 2HG ARG 107 1HG ARG 107 -3.530 10.026 2.163 742 1HD ARG 107 2HD ARG 107 -5.563 11.817 0.978 743 2HD ARG 107 1HD ARG 107 -6.012 10.997 2.473 744 HE ARG 107 HE ARG 107 -3.657 11.967 3.171 745 1HH1 ARG 107 2HH1 ARG 107 -6.182 13.532 1.309 746 2HH1 ARG 107 1HH1 ARG 107 -5.841 15.108 1.942 747 1HH2 ARG 107 2HH2 ARG 107 -3.220 14.045 4.017 748 2HH2 ARG 107 1HH2 ARG 107 -4.143 15.411 3.456 749 H LEU 108 H LEU 108 -6.920 8.823 -0.882 750 HA LEU 108 HA LEU 108 -7.882 11.385 -1.868 751 1HB LEU 108 2HB LEU 108 -7.626 9.501 -3.726 752 2HB LEU 108 1HB LEU 108 -9.156 8.967 -3.052 753 HG LEU 108 HG LEU 108 -9.881 11.449 -3.401 754 1HD1 LEU 108 1HD1 LEU 108 -8.757 12.317 -5.518 755 2HD1 LEU 108 2HD1 LEU 108 -7.876 12.494 -4.001 756 3HD1 LEU 108 3HD1 LEU 108 -7.441 11.210 -5.128 757 1HD2 LEU 108 1HD2 LEU 108 -11.110 10.603 -5.054 758 2HD2 LEU 108 2HD2 LEU 108 -9.691 10.276 -6.047 759 3HD2 LEU 108 3HD2 LEU 108 -10.199 9.110 -4.826 760 H GLU 109 H GLU 109 -8.931 11.928 -0.094 761 HA GLU 109 HA GLU 109 -10.430 10.006 1.441 762 1HB GLU 109 2HB GLU 109 -10.147 13.005 1.707 763 2HB GLU 109 1HB GLU 109 -10.975 11.969 2.862 764 1HG GLU 109 2HG GLU 109 -9.010 10.991 3.592 765 2HG GLU 109 1HG GLU 109 -8.127 11.441 2.134 766 H ASN 110 H ASN 110 -12.707 10.442 2.037 767 HA ASN 110 HA ASN 110 -14.310 10.922 -0.307 768 1HB ASN 110 2HB ASN 110 -14.737 9.489 1.992 769 2HB ASN 110 1HB ASN 110 -15.690 10.941 2.292 770 1HD2 ASN 110 1HD2 ASN 110 -15.578 7.953 0.774 771 2HD2 ASN 110 2HD2 ASN 110 -17.012 8.103 -0.195 772 H THR 111 H THR 111 -15.075 12.799 -0.955 773 HA THR 111 HA THR 111 -15.687 14.987 -1.024 774 HB THR 111 HB THR 111 -15.320 15.461 1.900 775 HG1 THR 111 1HG THR 111 -16.469 13.660 2.208 776 1HG2 THR 111 1HG2 THR 111 -16.140 17.321 0.725 777 2HG2 THR 111 2HG2 THR 111 -17.572 16.604 1.465 778 3HG2 THR 111 3HG2 THR 111 -17.235 16.336 -0.246 779 H GLN 112 H GLN 112 -12.865 13.873 -0.864 780 HA GLN 112 HA GLN 112 -11.364 16.242 -0.041 781 1HB GLN 112 2HB GLN 112 -10.630 13.750 0.270 782 2HB GLN 112 1HB GLN 112 -10.158 13.863 -1.421 783 1HG GLN 112 2HG GLN 112 -8.981 16.080 -0.457 784 2HG GLN 112 1HG GLN 112 -8.932 15.052 0.974 785 1HE2 GLN 112 1HE2 GLN 112 -7.445 15.838 -1.916 786 2HE2 GLN 112 2HE2 GLN 112 -6.357 14.490 -2.031 787 H PHE 113 H PHE 113 -13.041 16.997 -1.918 788 HA PHE 113 HA PHE 113 -11.656 16.910 -4.501 789 1HB PHE 113 2HB PHE 113 -14.279 18.302 -4.025 790 2HB PHE 113 1HB PHE 113 -13.654 17.606 -5.515 791 HD1 PHE 113 1HD PHE 113 -13.108 14.925 -5.131 792 HD2 PHE 113 2HD PHE 113 -16.111 17.234 -3.193 793 HE1 PHE 113 1HE PHE 113 -14.413 12.879 -4.720 794 HE2 PHE 113 2HE PHE 113 -17.418 15.194 -2.776 795 HZ PHE 113 HZ PHE 113 -16.569 13.011 -3.541 796 H ASP 114 H ASP 114 -10.018 18.299 -4.378 797 HA ASP 114 HA ASP 114 -8.915 20.294 -4.416 798 1HB ASP 114 2HB ASP 114 -10.659 21.526 -5.432 799 2HB ASP 114 1HB ASP 114 -11.675 21.427 -4.001 800 H ALA 115 H ALA 115 -11.397 20.596 -1.895 801 HA ALA 115 HA ALA 115 -9.392 21.293 0.085 802 1HB ALA 115 1HB ALA 115 -11.740 20.869 1.453 803 2HB ALA 115 2HB ALA 115 -11.179 22.417 0.822 804 3HB ALA 115 3HB ALA 115 -12.295 21.432 -0.124 805 H ALA 116 H ALA 116 -8.515 19.932 1.535 806 HA ALA 116 HA ALA 116 -9.102 17.089 1.244 807 1HB ALA 116 1HB ALA 116 -6.926 18.498 2.785 808 2HB ALA 116 2HB ALA 116 -7.071 16.753 2.576 809 3HB ALA 116 3HB ALA 116 -6.773 17.787 1.180 810 H ASN 117 H ASN 117 -9.017 15.770 3.335 811 HA ASN 117 HA ASN 117 -10.038 15.153 5.265 812 1HB ASN 117 2HB ASN 117 -8.571 17.294 5.959 813 2HB ASN 117 1HB ASN 117 -10.171 17.928 6.330 814 1HD2 ASN 117 1HD2 ASN 117 -11.489 16.721 7.823 815 2HD2 ASN 117 2HD2 ASN 117 -10.730 15.781 9.067 816 H GLY 118 H GLY 118 -11.803 15.055 3.515 817 1HA GLY 118 1HA GLY 118 -13.845 16.958 3.375 818 2HA GLY 118 2HA GLY 118 -14.005 15.269 2.923 819 H ILE 119 H ILE 119 -15.434 17.513 4.658 820 HA ILE 119 HA ILE 119 -16.885 17.591 6.387 821 HB ILE 119 HB ILE 119 -17.006 14.584 6.368 822 1HG1 ILE 119 2HG1 ILE 119 -18.669 16.326 4.554 823 1HG2 ILE 119 1HG2 ILE 119 -18.320 15.460 8.093 824 2HG2 ILE 119 2HG2 ILE 119 -18.883 16.805 7.103 825 3HG2 ILE 119 3HG2 ILE 119 -19.462 15.172 6.782 826 1HD1 ILE 119 1HD1 ILE 119 -18.078 13.731 3.542 827 2HD1 ILE 119 2HD1 ILE 119 -18.716 13.590 5.181 828 3HD1 ILE 119 3HD1 ILE 119 -19.641 14.443 3.945 829 H ASP 120 H ASP 120 -14.933 18.280 7.576 830 HA ASP 120 HA ASP 120 -13.596 16.470 9.339 831 1HB ASP 120 2HB ASP 120 -12.889 18.842 8.464 832 2HB ASP 120 1HB ASP 120 -13.789 19.417 9.861 833 H ASP 121 H ASP 121 -14.549 15.509 11.011 834 HA ASP 121 HA ASP 121 -16.638 16.995 12.475 835 1HB ASP 121 2HB ASP 121 -17.728 15.227 11.304 836 2HB ASP 121 1HB ASP 121 -16.487 14.065 11.763 837 H GLU 122 H GLU 122 -16.236 17.372 14.526 838 HA GLU 122 HA GLU 122 -15.085 15.428 16.255 839 1HB GLU 122 2HB GLU 122 -13.043 16.421 15.127 840 2HB GLU 122 1HB GLU 122 -13.454 17.947 15.896 841 1HG GLU 122 2HG GLU 122 -11.853 17.022 17.298 842 2HG GLU 122 1HG GLU 122 -13.379 16.648 18.097 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -20.936 9.706 -5.980 2 2H GLY 1 2H GLY 1 -21.926 11.062 -5.726 3 3H GLY 1 3H GLY 1 -22.604 9.511 -5.744 4 1HA GLY 1 2HA GLY 1 -21.469 10.944 -3.580 5 2HA GLY 1 1HA GLY 1 -22.388 9.444 -3.557 6 H SER 2 H SER 2 -20.260 9.899 -1.816 7 HA SER 2 HA SER 2 -17.844 8.734 -2.818 8 1HB SER 2 2HB SER 2 -18.345 8.648 0.091 9 2HB SER 2 1HB SER 2 -16.975 9.315 -0.798 10 HG SER 2 HG SER 2 -18.353 11.102 -1.353 11 H LEU 3 H LEU 3 -18.740 6.832 -3.802 12 HA LEU 3 HA LEU 3 -19.870 4.791 -2.070 13 1HB LEU 3 2HB LEU 3 -19.617 5.232 -4.991 14 2HB LEU 3 1HB LEU 3 -19.648 3.565 -4.451 15 HG LEU 3 HG LEU 3 -21.778 5.598 -3.791 16 1HD1 LEU 3 1HD1 LEU 3 -22.184 3.327 -5.678 17 2HD1 LEU 3 2HD1 LEU 3 -23.031 4.872 -5.570 18 3HD1 LEU 3 3HD1 LEU 3 -21.411 4.802 -6.262 19 1HD2 LEU 3 1HD2 LEU 3 -21.562 3.779 -2.171 20 2HD2 LEU 3 2HD2 LEU 3 -23.062 3.650 -3.090 21 3HD2 LEU 3 3HD2 LEU 3 -21.698 2.601 -3.476 22 H SER 4 H SER 4 -16.882 5.800 -2.506 23 HA SER 4 HA SER 4 -15.429 3.463 -3.158 24 1HB SER 4 2HB SER 4 -14.072 5.389 -1.419 25 2HB SER 4 1HB SER 4 -13.663 4.863 -3.055 26 HG SER 4 HG SER 4 -14.775 6.481 -3.879 27 H TRP 5 H TRP 5 -16.097 1.733 -1.900 28 HA TRP 5 HA TRP 5 -16.177 1.964 0.973 29 1HB TRP 5 2HB TRP 5 -16.868 -0.336 0.999 30 2HB TRP 5 1HB TRP 5 -17.721 0.459 -0.317 31 HD1 TRP 5 HD TRP 5 -16.858 -0.147 -2.852 32 HE1 TRP 5 1HE TRP 5 -15.754 -2.288 -3.758 33 HE3 TRP 5 3HE TRP 5 -15.376 -2.230 1.574 34 HZ2 TRP 5 2HZ TRP 5 -14.445 -4.565 -2.726 35 HZ3 TRP 5 3HZ TRP 5 -14.210 -4.395 1.527 36 HH2 TRP 5 HH TRP 5 -13.757 -5.536 -0.581 37 H LYS 6 H LYS 6 -14.116 0.597 -1.488 38 HA LYS 6 HA LYS 6 -12.053 -0.270 -1.558 39 1HB LYS 6 2HB LYS 6 -10.312 1.142 -0.692 40 2HB LYS 6 1HB LYS 6 -11.616 2.112 -1.352 41 1HG LYS 6 2HG LYS 6 -12.068 1.736 1.437 42 2HG LYS 6 1HG LYS 6 -10.412 2.291 1.181 43 1HD LYS 6 2HD LYS 6 -11.117 4.233 0.068 44 2HD LYS 6 1HD LYS 6 -12.750 3.608 -0.166 45 1HE LYS 6 2HE LYS 6 -11.633 4.070 2.579 46 2HE LYS 6 1HE LYS 6 -12.363 5.385 1.656 47 1HZ LYS 6 1HZ LYS 6 -14.384 4.012 1.466 48 2HZ LYS 6 2HZ LYS 6 -14.010 4.402 3.072 49 3HZ LYS 6 3HZ LYS 6 -13.676 2.848 2.476 50 H ARG 7 H ARG 7 -10.612 -1.713 -0.828 51 HA ARG 7 HA ARG 7 -10.971 -2.601 1.954 52 1HB ARG 7 2HB ARG 7 -10.899 -4.845 1.333 53 2HB ARG 7 1HB ARG 7 -11.878 -4.113 0.071 54 1HG ARG 7 2HG ARG 7 -10.445 -4.711 -1.520 55 2HG ARG 7 1HG ARG 7 -9.058 -4.128 -0.601 56 1HD ARG 7 2HD ARG 7 -10.163 -6.832 -0.847 57 2HD ARG 7 1HD ARG 7 -8.513 -6.310 -0.512 58 HE ARG 7 HE ARG 7 -10.355 -5.950 1.687 59 1HH1 ARG 7 2HH1 ARG 7 -8.033 -8.065 0.143 60 2HH1 ARG 7 1HH1 ARG 7 -7.817 -9.062 1.551 61 1HH2 ARG 7 2HH2 ARG 7 -10.084 -7.272 3.532 62 2HH2 ARG 7 1HH2 ARG 7 -8.968 -8.606 3.478 63 H CYS 8 H CYS 8 -9.185 -3.046 3.125 64 HA CYS 8 HA CYS 8 -6.752 -1.870 2.173 65 1HB CYS 8 2HB CYS 8 -7.604 -1.334 4.383 66 2HB CYS 8 1HB CYS 8 -7.541 -3.027 4.847 67 H ALA 9 H ALA 9 -4.897 -2.810 1.723 68 HA ALA 9 HA ALA 9 -4.717 -5.745 1.875 69 1HB ALA 9 1HB ALA 9 -2.625 -5.136 0.357 70 2HB ALA 9 2HB ALA 9 -4.248 -5.315 -0.314 71 3HB ALA 9 3HB ALA 9 -3.606 -3.707 0.025 72 H GLY 10 H GLY 10 -4.013 -3.170 3.674 73 1HA GLY 10 1HA GLY 10 -1.250 -3.758 4.331 74 2HA GLY 10 2HA GLY 10 -2.277 -2.553 5.096 75 H CYS 11 H CYS 11 -4.403 -4.048 5.938 76 HA CYS 11 HA CYS 11 -3.125 -5.851 7.874 77 1HB CYS 11 2HB CYS 11 -5.226 -5.541 9.227 78 2HB CYS 11 1HB CYS 11 -4.249 -4.092 9.043 79 H GLY 12 H GLY 12 -6.531 -5.720 7.023 80 1HA GLY 12 1HA GLY 12 -6.682 -7.656 5.072 81 2HA GLY 12 2HA GLY 12 -6.607 -8.550 6.581 82 H GLY 13 H GLY 13 -8.326 -5.618 5.435 83 1HA GLY 13 1HA GLY 13 -10.842 -6.942 5.685 84 2HA GLY 13 2HA GLY 13 -10.562 -5.756 6.956 85 H LYS 14 H LYS 14 -12.173 -4.456 6.251 86 HA LYS 14 HA LYS 14 -11.877 -3.173 3.628 87 1HB LYS 14 2HB LYS 14 -14.183 -2.940 5.567 88 2HB LYS 14 1HB LYS 14 -14.135 -2.343 3.915 89 1HG LYS 14 2HG LYS 14 -14.195 -4.531 3.024 90 2HG LYS 14 1HG LYS 14 -13.886 -5.256 4.604 91 1HD LYS 14 2HD LYS 14 -16.209 -3.565 4.712 92 2HD LYS 14 1HD LYS 14 -16.370 -4.749 3.413 93 1HE LYS 14 2HE LYS 14 -17.018 -6.192 4.981 94 2HE LYS 14 1HE LYS 14 -15.336 -6.219 5.506 95 1HZ LYS 14 1HZ LYS 14 -16.580 -5.753 7.410 96 2HZ LYS 14 2HZ LYS 14 -17.570 -4.630 6.615 97 3HZ LYS 14 3HZ LYS 14 -15.952 -4.247 6.945 98 H ILE 15 H ILE 15 -12.026 -0.843 3.514 99 HA ILE 15 HA ILE 15 -10.895 0.426 5.907 100 HB ILE 15 HB ILE 15 -11.033 1.888 3.325 101 1HG1 ILE 15 2HG1 ILE 15 -9.168 -0.425 3.887 102 1HG2 ILE 15 1HG2 ILE 15 -8.971 2.851 4.115 103 2HG2 ILE 15 2HG2 ILE 15 -10.169 2.891 5.412 104 3HG2 ILE 15 3HG2 ILE 15 -8.888 1.676 5.431 105 1HD1 ILE 15 1HD1 ILE 15 -8.236 0.314 1.569 106 2HD1 ILE 15 2HD1 ILE 15 -8.771 1.913 2.093 107 3HD1 ILE 15 3HD1 ILE 15 -7.598 1.016 3.057 108 H ALA 16 H ALA 16 -12.705 0.843 7.093 109 HA ALA 16 HA ALA 16 -14.889 2.367 5.877 110 1HB ALA 16 1HB ALA 16 -16.080 1.998 7.953 111 2HB ALA 16 2HB ALA 16 -15.439 0.466 7.356 112 3HB ALA 16 3HB ALA 16 -14.637 1.299 8.690 113 H ASP 17 H ASP 17 -12.194 3.417 6.271 114 HA ASP 17 HA ASP 17 -12.482 5.368 8.414 115 1HB ASP 17 2HB ASP 17 -10.233 4.316 6.777 116 2HB ASP 17 1HB ASP 17 -10.095 5.964 7.383 117 H ARG 18 H ARG 18 -12.190 7.604 8.058 118 HA ARG 18 HA ARG 18 -13.447 8.597 5.658 119 1HB ARG 18 2HB ARG 18 -13.725 9.533 8.019 120 2HB ARG 18 1HB ARG 18 -12.114 10.212 7.837 121 1HG ARG 18 2HG ARG 18 -13.254 12.006 7.128 122 2HG ARG 18 1HG ARG 18 -13.261 11.133 5.593 123 1HD ARG 18 2HD ARG 18 -15.465 10.641 5.731 124 2HD ARG 18 1HD ARG 18 -15.422 10.466 7.484 125 HE ARG 18 HE ARG 18 -15.102 13.119 7.145 126 1HH1 ARG 18 2HH1 ARG 18 -17.435 10.840 5.870 127 2HH1 ARG 18 1HH1 ARG 18 -18.727 12.009 5.800 128 1HH2 ARG 18 2HH2 ARG 18 -16.779 14.657 7.051 129 2HH2 ARG 18 1HH2 ARG 18 -18.352 14.187 6.457 130 H PHE 19 H PHE 19 -10.302 8.056 6.858 131 HA PHE 19 HA PHE 19 -9.106 9.419 4.535 132 1HB PHE 19 2HB PHE 19 -7.819 9.095 7.249 133 2HB PHE 19 1HB PHE 19 -7.220 10.056 5.896 134 HD1 PHE 19 1HD PHE 19 -9.238 10.008 8.843 135 HD2 PHE 19 2HD PHE 19 -8.571 12.079 5.188 136 HE1 PHE 19 1HE PHE 19 -10.449 11.956 9.730 137 HE2 PHE 19 2HE PHE 19 -9.776 14.031 6.070 138 HZ PHE 19 HZ PHE 19 -10.724 13.966 8.341 139 H LEU 20 H LEU 20 -7.920 8.099 3.266 140 HA LEU 20 HA LEU 20 -6.614 5.782 4.387 141 1HB LEU 20 2HB LEU 20 -7.708 4.113 3.148 142 2HB LEU 20 1HB LEU 20 -8.962 5.064 3.901 143 HG LEU 20 HG LEU 20 -9.916 4.785 1.869 144 1HD1 LEU 20 1HD1 LEU 20 -10.133 6.896 1.287 145 2HD1 LEU 20 2HD1 LEU 20 -8.567 7.294 1.996 146 3HD1 LEU 20 3HD1 LEU 20 -8.664 6.754 0.318 147 1HD2 LEU 20 1HD2 LEU 20 -8.406 3.329 0.864 148 2HD2 LEU 20 2HD2 LEU 20 -8.552 4.669 -0.274 149 3HD2 LEU 20 3HD2 LEU 20 -7.139 4.553 0.777 150 H LEU 21 H LEU 21 -5.598 4.467 2.438 151 HA LEU 21 HA LEU 21 -4.492 6.429 0.542 152 1HB LEU 21 2HB LEU 21 -3.123 5.448 2.678 153 2HB LEU 21 1HB LEU 21 -2.707 4.269 1.451 154 HG LEU 21 HG LEU 21 -2.432 7.030 0.532 155 1HD1 LEU 21 1HD1 LEU 21 -1.468 6.383 3.149 156 2HD1 LEU 21 2HD1 LEU 21 -0.106 6.650 2.058 157 3HD1 LEU 21 3HD1 LEU 21 -1.340 7.897 2.254 158 1HD2 LEU 21 1HD2 LEU 21 -1.628 4.806 -0.494 159 2HD2 LEU 21 2HD2 LEU 21 -0.540 6.195 -0.527 160 3HD2 LEU 21 3HD2 LEU 21 -0.309 4.923 0.674 161 H TYR 22 H TYR 22 -3.762 5.594 -1.433 162 HA TYR 22 HA TYR 22 -4.566 2.827 -2.041 163 1HB TYR 22 2HB TYR 22 -4.611 4.943 -4.170 164 2HB TYR 22 1HB TYR 22 -5.467 3.412 -4.116 165 HD1 TYR 22 1HD TYR 22 -7.678 3.284 -3.276 166 HD2 TYR 22 2HD TYR 22 -5.446 6.874 -2.752 167 HE1 TYR 22 1HE TYR 22 -9.729 4.457 -2.606 168 HE2 TYR 22 2HE TYR 22 -7.493 8.049 -2.079 169 HH TYR 22 HH TYR 22 -9.663 7.799 -1.473 170 H ALA 23 H ALA 23 -2.919 1.630 -2.873 171 HA ALA 23 HA ALA 23 -0.733 2.941 -4.266 172 1HB ALA 23 1HB ALA 23 0.418 3.227 -2.355 173 2HB ALA 23 2HB ALA 23 -0.536 2.030 -1.479 174 3HB ALA 23 3HB ALA 23 0.778 1.510 -2.536 175 H MET 24 H MET 24 -0.037 1.704 -5.864 176 HA MET 24 HA MET 24 0.424 -0.074 -7.187 177 1HB MET 24 2HB MET 24 0.928 -1.026 -4.463 178 2HB MET 24 1HB MET 24 0.596 -2.318 -5.607 179 1HG MET 24 2HG MET 24 2.478 -0.330 -6.610 180 2HG MET 24 1HG MET 24 3.027 -1.161 -5.156 181 1HE MET 24 1HE MET 24 1.995 -3.724 -5.044 182 2HE MET 24 2HE MET 24 2.552 -4.894 -6.242 183 3HE MET 24 3HE MET 24 3.721 -4.015 -5.260 184 H ASP 25 H ASP 25 -2.247 0.582 -7.049 185 HA ASP 25 HA ASP 25 -4.306 -0.177 -7.637 186 1HB ASP 25 2HB ASP 25 -2.517 -2.296 -8.595 187 2HB ASP 25 1HB ASP 25 -4.155 -2.851 -8.271 188 H SER 26 H SER 26 -3.114 -0.608 -4.900 189 HA SER 26 HA SER 26 -5.283 -2.329 -3.935 190 1HB SER 26 2HB SER 26 -2.902 -2.326 -2.210 191 2HB SER 26 1HB SER 26 -3.919 -3.674 -2.720 192 HG SER 26 HG SER 26 -2.443 -2.665 -4.774 193 H TYR 27 H TYR 27 -5.999 -1.758 -1.776 194 HA TYR 27 HA TYR 27 -5.457 1.082 -1.234 195 1HB TYR 27 2HB TYR 27 -7.915 -0.435 -0.364 196 2HB TYR 27 1HB TYR 27 -7.675 1.309 -0.412 197 HD1 TYR 27 1HD TYR 27 -9.666 -0.896 -1.802 198 HD2 TYR 27 2HD TYR 27 -6.587 1.742 -3.109 199 HE1 TYR 27 1HE TYR 27 -10.674 -0.833 -4.041 200 HE2 TYR 27 2HE TYR 27 -7.596 1.810 -5.348 201 HH TYR 27 HH TYR 27 -9.286 -0.061 -6.671 202 H TRP 28 H TRP 28 -5.368 1.755 0.958 203 HA TRP 28 HA TRP 28 -4.664 -0.343 2.892 204 1HB TRP 28 2HB TRP 28 -2.947 2.094 2.388 205 2HB TRP 28 1HB TRP 28 -2.593 0.752 3.461 206 HD1 TRP 28 HD TRP 28 -2.995 1.361 -0.363 207 HE1 TRP 28 1HE TRP 28 -1.336 -0.187 -1.580 208 HE3 TRP 28 3HE TRP 28 -1.114 -1.156 3.676 209 HZ2 TRP 28 2HZ TRP 28 0.545 -2.172 -0.912 210 HZ3 TRP 28 3HZ TRP 28 0.620 -2.859 3.296 211 HH2 TRP 28 HH TRP 28 1.427 -3.361 1.046 212 H HIS 29 H HIS 29 -4.352 0.548 5.074 213 HA HIS 29 HA HIS 29 -6.241 2.688 5.701 214 1HB HIS 29 2HB HIS 29 -4.717 0.662 7.295 215 2HB HIS 29 1HB HIS 29 -5.214 2.152 8.086 216 HD2 HIS 29 2HD HIS 29 -8.128 2.558 7.908 217 HE1 HIS 29 1HE HIS 29 -8.742 -1.635 7.811 218 HE2 HIS 29 2HE HIS 29 -9.807 0.617 8.341 219 H SER 30 H SER 30 -5.420 4.399 7.247 220 HA SER 30 HA SER 30 -3.218 5.784 6.170 221 1HB SER 30 2HB SER 30 -3.825 6.471 8.932 222 2HB SER 30 1HB SER 30 -4.016 7.439 7.470 223 HG SER 30 HG SER 30 -5.994 6.840 8.681 224 H ARG 31 H ARG 31 -3.609 3.739 9.027 225 HA ARG 31 HA ARG 31 -0.822 4.015 9.758 226 1HB ARG 31 2HB ARG 31 -2.964 3.642 11.283 227 2HB ARG 31 1HB ARG 31 -2.568 1.950 11.005 228 1HG ARG 31 2HG ARG 31 -0.244 3.534 11.744 229 2HG ARG 31 1HG ARG 31 -1.515 3.565 12.968 230 1HD ARG 31 2HD ARG 31 -1.393 1.288 13.334 231 2HD ARG 31 1HD ARG 31 -0.702 0.967 11.742 232 HE ARG 31 HE ARG 31 1.153 2.505 13.112 233 1HH1 ARG 31 2HH1 ARG 31 -0.330 -0.659 13.444 234 2HH1 ARG 31 1HH1 ARG 31 1.019 -1.332 14.313 235 1HH2 ARG 31 2HH2 ARG 31 2.910 1.634 14.240 236 2HH2 ARG 31 1HH2 ARG 31 2.874 -0.024 14.767 237 H CYS 32 H CYS 32 -2.694 1.881 7.808 238 HA CYS 32 HA CYS 32 -0.921 -0.355 8.116 239 1HB CYS 32 2HB CYS 32 -3.233 0.206 6.275 240 2HB CYS 32 1HB CYS 32 -2.256 -1.255 6.132 241 H LEU 33 H LEU 33 -0.980 2.464 6.141 242 HA LEU 33 HA LEU 33 0.916 1.361 4.230 243 1HB LEU 33 2HB LEU 33 -0.866 3.418 4.027 244 2HB LEU 33 1HB LEU 33 0.620 4.285 4.362 245 HG LEU 33 HG LEU 33 -0.235 3.541 1.872 246 1HD1 LEU 33 1HD1 LEU 33 1.990 4.140 1.114 247 2HD1 LEU 33 2HD1 LEU 33 1.458 5.222 2.405 248 3HD1 LEU 33 3HD1 LEU 33 2.620 3.937 2.750 249 1HD2 LEU 33 1HD2 LEU 33 1.883 1.554 2.681 250 2HD2 LEU 33 2HD2 LEU 33 0.194 1.167 2.355 251 3HD2 LEU 33 3HD2 LEU 33 1.221 1.786 1.064 252 H LYS 34 H LYS 34 2.428 0.678 5.771 253 HA LYS 34 HA LYS 34 4.201 2.815 6.734 254 1HB LYS 34 2HB LYS 34 4.365 1.890 8.888 255 2HB LYS 34 1HB LYS 34 2.645 1.816 8.531 256 1HG LYS 34 2HG LYS 34 4.060 -0.586 7.706 257 2HG LYS 34 1HG LYS 34 4.216 -0.257 9.432 258 1HD LYS 34 2HD LYS 34 2.041 -0.673 9.839 259 2HD LYS 34 1HD LYS 34 1.508 0.071 8.330 260 1HE LYS 34 2HE LYS 34 1.402 -1.898 7.294 261 2HE LYS 34 1HE LYS 34 3.001 -2.370 7.871 262 1HZ LYS 34 1HZ LYS 34 0.639 -2.459 9.648 263 2HZ LYS 34 2HZ LYS 34 2.121 -3.276 9.804 264 3HZ LYS 34 3HZ LYS 34 1.013 -3.757 8.618 265 H CYS 35 H CYS 35 6.347 1.955 7.341 266 HA CYS 35 HA CYS 35 7.459 0.504 5.226 267 1HB CYS 35 2HB CYS 35 8.749 2.095 6.556 268 2HB CYS 35 1HB CYS 35 8.586 1.071 7.977 269 H SER 36 H SER 36 8.262 -1.583 5.097 270 HA SER 36 HA SER 36 6.827 -3.574 6.569 271 1HB SER 36 2HB SER 36 9.222 -4.223 4.895 272 2HB SER 36 1HB SER 36 7.701 -5.099 5.058 273 HG SER 36 HG SER 36 6.828 -3.026 4.029 274 H SER 37 H SER 37 9.808 -1.919 7.004 275 HA SER 37 HA SER 37 10.714 -3.961 8.911 276 1HB SER 37 2HB SER 37 12.623 -1.839 8.460 277 2HB SER 37 1HB SER 37 12.789 -3.571 8.177 278 HG SER 37 HG SER 37 12.421 -1.584 6.397 279 H CYS 38 H CYS 38 10.293 -0.437 8.610 280 HA CYS 38 HA CYS 38 10.919 -0.066 11.402 281 1HB CYS 38 2HB CYS 38 9.916 1.942 9.381 282 2HB CYS 38 1HB CYS 38 10.623 2.309 10.950 283 H GLN 39 H GLN 39 8.069 -0.223 9.436 284 HA GLN 39 HA GLN 39 5.838 -0.090 9.870 285 1HB GLN 39 2HB GLN 39 6.814 -0.325 12.707 286 2HB GLN 39 1HB GLN 39 5.131 0.077 12.373 287 1HG GLN 39 2HG GLN 39 4.936 -2.169 12.522 288 2HG GLN 39 1HG GLN 39 5.327 -2.051 10.808 289 1HE2 GLN 39 1HE2 GLN 39 6.993 -3.195 10.091 290 2HE2 GLN 39 2HE2 GLN 39 8.205 -3.948 11.073 291 H ALA 40 H ALA 40 7.760 2.091 9.573 292 HA ALA 40 HA ALA 40 6.686 4.308 11.052 293 1HB ALA 40 1HB ALA 40 8.830 4.896 10.776 294 2HB ALA 40 2HB ALA 40 9.056 3.795 9.419 295 3HB ALA 40 3HB ALA 40 8.339 5.385 9.154 296 H GLN 41 H GLN 41 5.246 5.620 10.351 297 HA GLN 41 HA GLN 41 3.575 4.947 8.226 298 1HB GLN 41 2HB GLN 41 3.366 6.579 10.400 299 2HB GLN 41 1HB GLN 41 3.428 7.753 9.091 300 1HG GLN 41 2HG GLN 41 1.146 7.263 9.496 301 2HG GLN 41 1HG GLN 41 1.589 6.477 7.977 302 1HE2 GLN 41 1HE2 GLN 41 1.728 4.244 7.888 303 2HE2 GLN 41 2HE2 GLN 41 1.081 3.224 9.127 304 H LEU 42 H LEU 42 4.262 4.956 6.205 305 HA LEU 42 HA LEU 42 6.198 6.705 5.160 306 1HB LEU 42 2HB LEU 42 4.279 4.738 3.989 307 2HB LEU 42 1HB LEU 42 5.171 5.806 2.922 308 HG LEU 42 HG LEU 42 6.536 4.057 4.956 309 1HD1 LEU 42 1HD1 LEU 42 5.363 3.348 2.347 310 2HD1 LEU 42 2HD1 LEU 42 7.011 2.789 2.638 311 3HD1 LEU 42 3HD1 LEU 42 5.718 2.340 3.751 312 1HD2 LEU 42 1HD2 LEU 42 7.512 5.349 2.414 313 2HD2 LEU 42 2HD2 LEU 42 7.810 5.945 4.046 314 3HD2 LEU 42 3HD2 LEU 42 8.474 4.391 3.539 315 H GLY 43 H GLY 43 2.799 7.016 5.552 316 1HA GLY 43 1HA GLY 43 2.621 9.248 3.670 317 2HA GLY 43 2HA GLY 43 1.288 8.538 4.570 318 H ASP 44 H ASP 44 3.901 8.987 6.598 319 HA ASP 44 HA ASP 44 2.786 11.540 7.553 320 1HB ASP 44 2HB ASP 44 2.447 9.618 9.095 321 2HB ASP 44 1HB ASP 44 4.194 9.427 9.193 322 H ILE 45 H ILE 45 5.690 9.754 6.788 323 HA ILE 45 HA ILE 45 7.418 11.964 7.546 324 HB ILE 45 HB ILE 45 9.253 10.565 6.586 325 1HG1 ILE 45 2HG1 ILE 45 7.120 8.426 6.335 326 1HG2 ILE 45 1HG2 ILE 45 7.591 9.960 8.896 327 2HG2 ILE 45 2HG2 ILE 45 8.545 8.578 8.352 328 3HG2 ILE 45 3HG2 ILE 45 9.346 10.097 8.765 329 1HD1 ILE 45 1HD1 ILE 45 9.196 7.378 6.798 330 2HD1 ILE 45 2HD1 ILE 45 8.924 7.244 5.059 331 3HD1 ILE 45 3HD1 ILE 45 10.054 8.443 5.686 332 H GLY 46 H GLY 46 5.689 12.999 5.934 333 1HA GLY 46 1HA GLY 46 5.777 14.430 4.068 334 2HA GLY 46 2HA GLY 46 7.140 13.503 3.449 335 H THR 47 H THR 47 6.549 12.692 1.547 336 HA THR 47 HA THR 47 4.276 10.876 1.535 337 HB THR 47 HB THR 47 4.653 12.892 -0.691 338 HG1 THR 47 1HG THR 47 3.860 13.979 1.123 339 1HG2 THR 47 1HG2 THR 47 2.171 12.037 -1.033 340 2HG2 THR 47 2HG2 THR 47 2.816 10.606 -0.226 341 3HG2 THR 47 3HG2 THR 47 3.551 11.183 -1.722 342 H SER 48 H SER 48 5.530 9.082 1.272 343 HA SER 48 HA SER 48 6.645 8.632 -1.321 344 1HB SER 48 2HB SER 48 8.505 8.763 1.064 345 2HB SER 48 1HB SER 48 8.918 7.934 -0.435 346 HG SER 48 HG SER 48 8.001 10.528 -0.735 347 H SER 49 H SER 49 7.283 6.425 -1.636 348 HA SER 49 HA SER 49 7.082 4.467 0.385 349 1HB SER 49 2HB SER 49 5.116 3.370 -1.183 350 2HB SER 49 1HB SER 49 4.821 4.196 0.347 351 HG SER 49 HG SER 49 3.508 5.126 -1.172 352 H TYR 50 H TYR 50 8.133 2.624 -0.328 353 HA TYR 50 HA TYR 50 9.045 2.777 -3.122 354 1HB TYR 50 2HB TYR 50 10.440 2.246 -0.553 355 2HB TYR 50 1HB TYR 50 11.030 1.420 -1.993 356 HD1 TYR 50 1HD TYR 50 11.425 4.266 -0.049 357 HD2 TYR 50 2HD TYR 50 11.208 3.048 -4.112 358 HE1 TYR 50 1HE TYR 50 12.658 6.285 -0.712 359 HE2 TYR 50 2HE TYR 50 12.435 5.054 -4.796 360 HH TYR 50 HH TYR 50 14.174 6.674 -3.552 361 H THR 51 H THR 51 8.347 1.225 -4.371 362 HA THR 51 HA THR 51 7.540 -1.327 -3.219 363 HB THR 51 HB THR 51 7.179 -1.081 -6.092 364 HG1 THR 51 1HG THR 51 6.799 1.049 -5.975 365 1HG2 THR 51 1HG2 THR 51 5.066 -1.205 -3.960 366 2HG2 THR 51 2HG2 THR 51 6.041 -2.612 -4.387 367 3HG2 THR 51 3HG2 THR 51 5.011 -1.849 -5.600 368 H LYS 52 H LYS 52 9.296 -2.623 -2.962 369 HA LYS 52 HA LYS 52 10.470 -3.662 -5.358 370 1HB LYS 52 2HB LYS 52 11.914 -1.637 -4.018 371 2HB LYS 52 1HB LYS 52 12.726 -3.156 -3.655 372 1HG LYS 52 2HG LYS 52 12.833 -3.643 -6.067 373 2HG LYS 52 1HG LYS 52 12.090 -2.077 -6.395 374 1HD LYS 52 2HD LYS 52 14.053 -1.047 -6.220 375 2HD LYS 52 1HD LYS 52 14.346 -1.770 -4.637 376 1HE LYS 52 2HE LYS 52 16.119 -2.583 -5.865 377 2HE LYS 52 1HE LYS 52 14.947 -3.892 -6.015 378 1HZ LYS 52 1HZ LYS 52 14.359 -3.161 -8.182 379 2HZ LYS 52 2HZ LYS 52 16.052 -3.238 -8.131 380 3HZ LYS 52 3HZ LYS 52 15.269 -1.735 -8.036 381 H SER 53 H SER 53 11.211 -5.721 -5.113 382 HA SER 53 HA SER 53 11.473 -7.784 -4.206 383 1HB SER 53 2HB SER 53 11.926 -6.401 -1.555 384 2HB SER 53 1HB SER 53 12.505 -7.993 -2.049 385 HG SER 53 HG SER 53 14.236 -6.801 -2.472 386 H GLY 54 H GLY 54 8.844 -6.372 -4.178 387 1HA GLY 54 1HA GLY 54 6.694 -6.937 -3.575 388 2HA GLY 54 2HA GLY 54 7.343 -8.350 -2.756 389 H MET 55 H MET 55 8.813 -5.466 -1.825 390 HA MET 55 HA MET 55 7.254 -5.446 0.672 391 1HB MET 55 2HB MET 55 10.109 -5.518 0.099 392 2HB MET 55 1HB MET 55 9.690 -4.188 1.165 393 1HG MET 55 2HG MET 55 8.489 -5.862 2.603 394 2HG MET 55 1HG MET 55 9.221 -7.115 1.606 395 1HE MET 55 1HE MET 55 12.467 -5.055 1.553 396 2HE MET 55 2HE MET 55 12.911 -6.693 2.027 397 3HE MET 55 3HE MET 55 11.677 -6.438 0.795 398 H ILE 56 H ILE 56 7.587 -3.296 1.859 399 HA ILE 56 HA ILE 56 7.484 -1.037 -0.022 400 HB ILE 56 HB ILE 56 5.832 -0.940 2.466 401 1HG1 ILE 56 2HG1 ILE 56 5.304 -3.069 1.083 402 1HG2 ILE 56 1HG2 ILE 56 5.486 0.287 -0.263 403 2HG2 ILE 56 2HG2 ILE 56 4.498 0.618 1.161 404 3HG2 ILE 56 3HG2 ILE 56 6.201 1.078 1.141 405 1HD1 ILE 56 1HD1 ILE 56 4.813 -2.832 -1.058 406 2HD1 ILE 56 2HD1 ILE 56 3.341 -2.002 -0.556 407 3HD1 ILE 56 3HD1 ILE 56 4.794 -1.073 -0.928 408 H LEU 57 H LEU 57 9.580 -0.426 0.449 409 HA LEU 57 HA LEU 57 10.425 -0.196 3.209 410 1HB LEU 57 2HB LEU 57 11.810 0.310 0.587 411 2HB LEU 57 1HB LEU 57 12.535 0.759 2.111 412 HG LEU 57 HG LEU 57 13.524 -1.266 1.789 413 1HD1 LEU 57 1HD1 LEU 57 12.796 -2.635 3.439 414 2HD1 LEU 57 2HD1 LEU 57 11.821 -1.218 3.815 415 3HD1 LEU 57 3HD1 LEU 57 11.114 -2.562 2.918 416 1HD2 LEU 57 1HD2 LEU 57 11.018 -2.027 0.337 417 2HD2 LEU 57 2HD2 LEU 57 12.678 -1.950 -0.262 418 3HD2 LEU 57 3HD2 LEU 57 12.194 -3.247 0.835 419 H CYS 58 H CYS 58 11.444 1.769 3.997 420 HA CYS 58 HA CYS 58 9.858 4.120 3.442 421 1HB CYS 58 2HB CYS 58 11.371 5.101 5.243 422 2HB CYS 58 1HB CYS 58 10.357 3.752 5.746 423 H ARG 59 H ARG 59 11.505 6.190 3.607 424 HA ARG 59 HA ARG 59 13.123 6.021 1.190 425 1HB ARG 59 2HB ARG 59 12.129 8.244 2.932 426 2HB ARG 59 1HB ARG 59 13.535 8.527 1.916 427 1HG ARG 59 2HG ARG 59 11.270 7.288 0.533 428 2HG ARG 59 1HG ARG 59 10.958 8.907 1.158 429 1HD ARG 59 2HD ARG 59 12.732 8.018 -1.020 430 2HD ARG 59 1HD ARG 59 11.840 9.525 -0.828 431 HE ARG 59 HE ARG 59 13.652 10.125 0.826 432 1HH1 ARG 59 2HH1 ARG 59 14.203 7.967 -1.882 433 2HH1 ARG 59 1HH1 ARG 59 15.899 8.317 -1.982 434 1HH2 ARG 59 2HH2 ARG 59 15.872 10.622 0.665 435 2HH2 ARG 59 1HH2 ARG 59 16.850 9.861 -0.546 436 H ASN 60 H ASN 60 13.586 5.131 4.241 437 HA ASN 60 HA ASN 60 16.368 6.081 4.376 438 1HB ASN 60 2HB ASN 60 14.754 6.374 6.365 439 2HB ASN 60 1HB ASN 60 14.917 4.634 6.585 440 1HD2 ASN 60 1HD2 ASN 60 15.798 5.125 8.652 441 2HD2 ASN 60 2HD2 ASN 60 17.462 5.593 8.798 442 H ASP 61 H ASP 61 14.354 3.192 4.760 443 HA ASP 61 HA ASP 61 16.513 1.368 4.922 444 1HB ASP 61 2HB ASP 61 13.563 1.129 4.463 445 2HB ASP 61 1HB ASP 61 14.595 -0.279 4.227 446 H TYR 62 H TYR 62 14.389 2.347 2.279 447 HA TYR 62 HA TYR 62 15.112 0.523 0.377 448 1HB TYR 62 2HB TYR 62 13.301 2.188 0.142 449 2HB TYR 62 1HB TYR 62 14.515 3.433 -0.135 450 HD1 TYR 62 1HD TYR 62 13.030 0.343 -1.522 451 HD2 TYR 62 2HD TYR 62 15.504 3.722 -2.258 452 HE1 TYR 62 1HE TYR 62 12.973 -0.147 -3.929 453 HE2 TYR 62 2HE TYR 62 15.452 3.245 -4.666 454 HH TYR 62 HH TYR 62 15.083 1.016 -6.085 455 H ILE 63 H ILE 63 16.688 3.625 1.031 456 HA ILE 63 HA ILE 63 18.573 3.361 -1.074 457 HB ILE 63 HB ILE 63 19.285 5.112 1.202 458 1HG1 ILE 63 2HG1 ILE 63 16.785 5.207 1.148 459 1HG2 ILE 63 1HG2 ILE 63 18.905 6.230 -1.474 460 2HG2 ILE 63 2HG2 ILE 63 20.299 6.308 -0.394 461 3HG2 ILE 63 3HG2 ILE 63 20.045 4.886 -1.406 462 1HD1 ILE 63 1HD1 ILE 63 16.675 4.890 -1.410 463 2HD1 ILE 63 2HD1 ILE 63 15.549 6.003 -0.634 464 3HD1 ILE 63 3HD1 ILE 63 16.967 6.627 -1.474 465 H ARG 64 H ARG 64 18.458 2.163 2.143 466 HA ARG 64 HA ARG 64 21.319 1.637 2.257 467 1HB ARG 64 2HB ARG 64 19.033 1.389 4.128 468 2HB ARG 64 1HB ARG 64 20.327 0.213 4.321 469 1HG ARG 64 2HG ARG 64 21.930 2.135 4.434 470 2HG ARG 64 1HG ARG 64 20.529 3.208 4.486 471 1HD ARG 64 2HD ARG 64 19.851 1.487 6.429 472 2HD ARG 64 1HD ARG 64 21.608 1.386 6.545 473 HE ARG 64 HE ARG 64 21.522 3.892 6.736 474 1HH1 ARG 64 2HH1 ARG 64 18.823 1.894 7.714 475 2HH1 ARG 64 1HH1 ARG 64 18.281 3.005 8.944 476 1HH2 ARG 64 2HH2 ARG 64 20.812 5.368 8.307 477 2HH2 ARG 64 1HH2 ARG 64 19.409 5.001 9.274 478 H LEU 65 H LEU 65 18.371 0.124 1.329 479 HA LEU 65 HA LEU 65 19.394 -2.565 1.331 480 1HB LEU 65 2HB LEU 65 16.858 -1.324 1.137 481 2HB LEU 65 1HB LEU 65 17.084 -2.239 -0.341 482 HG LEU 65 HG LEU 65 15.962 -3.694 1.121 483 1HD1 LEU 65 1HD1 LEU 65 17.462 -5.515 1.432 484 2HD1 LEU 65 2HD1 LEU 65 17.970 -4.653 -0.021 485 3HD1 LEU 65 3HD1 LEU 65 18.855 -4.436 1.488 486 1HD2 LEU 65 1HD2 LEU 65 17.532 -3.995 3.407 487 2HD2 LEU 65 2HD2 LEU 65 17.413 -2.255 3.151 488 3HD2 LEU 65 3HD2 LEU 65 15.949 -3.229 3.292 489 H PHE 66 H PHE 66 18.214 -0.427 -1.286 490 HA PHE 66 HA PHE 66 20.205 -1.708 -3.050 491 1HB PHE 66 2HB PHE 66 17.800 -0.642 -4.373 492 2HB PHE 66 1HB PHE 66 18.668 -2.146 -4.655 493 HD1 PHE 66 1HD PHE 66 18.011 -4.182 -3.558 494 HD2 PHE 66 2HD PHE 66 16.017 -0.516 -2.721 495 HE1 PHE 66 1HE PHE 66 16.192 -5.421 -2.460 496 HE2 PHE 66 2HE PHE 66 14.198 -1.751 -1.623 497 HZ PHE 66 HZ PHE 66 14.283 -4.205 -1.491 498 H GLY 67 H GLY 67 18.178 1.143 -2.513 499 1HA GLY 67 1HA GLY 67 18.446 3.351 -3.057 500 2HA GLY 67 2HA GLY 67 20.134 3.051 -2.684 501 H ASN 68 H ASN 68 20.612 4.670 -4.208 502 HA ASN 68 HA ASN 68 21.626 3.777 -6.588 503 1HB ASN 68 2HB ASN 68 19.254 3.567 -7.352 504 2HB ASN 68 1HB ASN 68 19.059 5.302 -7.111 505 1HD2 ASN 68 1HD2 ASN 68 19.823 2.931 -9.315 506 2HD2 ASN 68 2HD2 ASN 68 20.574 3.921 -10.524 507 H SER 69 H SER 69 19.796 6.668 -5.590 508 HA SER 69 HA SER 69 22.128 8.191 -5.069 509 1HB SER 69 2HB SER 69 21.388 9.942 -6.939 510 2HB SER 69 1HB SER 69 22.532 8.650 -7.298 511 HG SER 69 HG SER 69 20.800 7.435 -8.151 512 H GLY 70 H GLY 70 21.236 10.739 -5.155 513 1HA GLY 70 1HA GLY 70 18.506 10.774 -4.100 514 2HA GLY 70 2HA GLY 70 19.797 11.317 -3.037 515 H ALA 71 H ALA 71 18.073 13.194 -3.330 516 HA ALA 71 HA ALA 71 19.152 14.963 -5.429 517 1HB ALA 71 1HB ALA 71 16.321 14.528 -4.577 518 2HB ALA 71 2HB ALA 71 16.818 16.089 -5.236 519 3HB ALA 71 3HB ALA 71 17.003 14.624 -6.203 520 H GLY 72 H GLY 72 19.080 14.401 -2.212 521 1HA GLY 72 1HA GLY 72 19.987 17.040 -1.560 522 2HA GLY 72 2HA GLY 72 18.386 16.717 -0.914 523 H GLY 73 H GLY 73 18.371 14.302 0.072 524 1HA GLY 73 1HA GLY 73 19.251 12.852 1.652 525 2HA GLY 73 2HA GLY 73 20.801 13.670 1.504 526 H SER 74 H SER 74 21.357 15.212 2.968 527 HA SER 74 HA SER 74 19.349 15.799 5.039 528 1HB SER 74 2HB SER 74 22.190 16.157 5.735 529 2HB SER 74 1HB SER 74 20.886 15.416 6.660 530 HG SER 74 HG SER 74 22.819 14.216 5.286 531 H GLY 75 H GLY 75 20.529 17.227 2.436 532 1HA GLY 75 1HA GLY 75 20.005 19.848 3.392 533 2HA GLY 75 2HA GLY 75 21.737 19.606 3.226 534 H GLY 76 H GLY 76 21.419 21.421 1.705 535 1HA GLY 76 1HA GLY 76 21.738 22.004 -0.524 536 2HA GLY 76 2HA GLY 76 21.224 20.390 -1.001 537 H HIS 77 H HIS 77 19.464 20.459 -2.199 538 HA HIS 77 HA HIS 77 17.384 22.429 -1.513 539 1HB HIS 77 2HB HIS 77 16.595 21.983 -3.939 540 2HB HIS 77 1HB HIS 77 17.985 23.027 -3.689 541 HD1 HIS 77 1HD HIS 77 20.356 21.992 -4.289 542 HD2 HIS 77 2HD HIS 77 17.057 19.733 -5.457 543 HE1 HIS 77 1HE HIS 77 21.217 20.359 -6.002 544 HE2 HIS 77 2HE HIS 77 19.222 18.973 -6.668 545 H MET 78 H MET 78 15.721 21.578 -0.540 546 HA MET 78 HA MET 78 14.138 20.136 0.191 547 1HB MET 78 2HB MET 78 13.806 20.174 -2.443 548 2HB MET 78 1HB MET 78 14.294 18.491 -2.292 549 1HG MET 78 2HG MET 78 12.360 17.878 -1.333 550 2HG MET 78 1HG MET 78 12.231 19.364 -0.395 551 1HE MET 78 1HE MET 78 11.892 17.881 -4.057 552 2HE MET 78 2HE MET 78 11.202 19.272 -4.892 553 3HE MET 78 3HE MET 78 12.838 19.357 -4.244 554 H GLY 79 H GLY 79 16.577 19.569 1.161 555 1HA GLY 79 1HA GLY 79 17.338 16.826 0.787 556 2HA GLY 79 2HA GLY 79 17.909 17.905 2.054 557 H SER 80 H SER 80 15.580 15.526 1.154 558 HA SER 80 HA SER 80 14.276 15.763 3.772 559 1HB SER 80 2HB SER 80 13.198 13.935 1.688 560 2HB SER 80 1HB SER 80 12.342 14.984 2.819 561 HG SER 80 HG SER 80 13.882 16.297 0.932 562 H GLY 81 H GLY 81 15.732 13.354 1.589 563 1HA GLY 81 1HA GLY 81 16.645 11.288 2.029 564 2HA GLY 81 2HA GLY 81 16.811 11.803 3.705 565 H GLY 82 H GLY 82 15.864 10.417 5.024 566 1HA GLY 82 1HA GLY 82 13.337 9.127 4.216 567 2HA GLY 82 2HA GLY 82 14.323 8.671 5.603 568 H ASP 83 H ASP 83 13.295 11.847 4.563 569 HA ASP 83 HA ASP 83 12.401 13.606 5.642 570 1HB ASP 83 2HB ASP 83 10.379 11.994 5.500 571 2HB ASP 83 1HB ASP 83 10.633 11.777 7.231 572 H VAL 84 H VAL 84 14.700 13.205 6.625 573 HA VAL 84 HA VAL 84 14.507 12.914 9.539 574 HB VAL 84 HB VAL 84 16.917 13.043 7.714 575 1HG1 VAL 84 1HG1 VAL 84 18.249 12.527 9.727 576 2HG1 VAL 84 2HG1 VAL 84 17.474 14.108 9.818 577 3HG1 VAL 84 3HG1 VAL 84 16.806 12.745 10.716 578 1HG2 VAL 84 1HG2 VAL 84 17.119 10.690 8.953 579 2HG2 VAL 84 2HG2 VAL 84 15.365 10.871 8.999 580 3HG2 VAL 84 3HG2 VAL 84 16.214 10.899 7.454 581 H MET 85 H MET 85 15.638 15.129 7.030 582 HA MET 85 HA MET 85 15.914 17.309 8.936 583 1HB MET 85 2HB MET 85 16.893 16.742 6.310 584 2HB MET 85 1HB MET 85 15.976 18.241 6.245 585 1HG MET 85 2HG MET 85 17.616 18.338 8.549 586 2HG MET 85 1HG MET 85 18.612 17.801 7.198 587 1HE MET 85 1HE MET 85 18.033 20.304 4.523 588 2HE MET 85 2HE MET 85 17.237 18.784 4.930 589 3HE MET 85 3HE MET 85 16.342 20.301 5.028 590 H VAL 86 H VAL 86 13.468 15.781 7.382 591 HA VAL 86 HA VAL 86 11.255 16.156 7.159 592 HB VAL 86 HB VAL 86 11.750 18.848 8.435 593 1HG1 VAL 86 1HG1 VAL 86 9.439 19.040 8.754 594 2HG1 VAL 86 2HG1 VAL 86 9.599 18.461 7.095 595 3HG1 VAL 86 3HG1 VAL 86 9.156 17.339 8.381 596 1HG2 VAL 86 1HG2 VAL 86 10.798 17.659 10.462 597 2HG2 VAL 86 2HG2 VAL 86 11.085 16.152 9.591 598 3HG2 VAL 86 3HG2 VAL 86 12.438 17.210 9.993 599 H VAL 87 H VAL 87 10.482 16.332 5.211 600 HA VAL 87 HA VAL 87 11.625 17.979 3.236 601 HB VAL 87 HB VAL 87 10.561 15.923 2.590 602 1HG1 VAL 87 1HG1 VAL 87 8.615 16.515 4.411 603 2HG1 VAL 87 2HG1 VAL 87 7.784 16.789 2.882 604 3HG1 VAL 87 3HG1 VAL 87 8.530 15.225 3.212 605 1HG2 VAL 87 1HG2 VAL 87 8.847 16.891 0.883 606 2HG2 VAL 87 2HG2 VAL 87 9.414 18.448 1.488 607 3HG2 VAL 87 3HG2 VAL 87 10.555 17.317 0.760 608 H GLY 88 H GLY 88 11.403 20.049 2.862 609 1HA GLY 88 1HA GLY 88 9.429 21.627 4.224 610 2HA GLY 88 2HA GLY 88 10.638 22.215 3.092 611 H GLU 89 H GLU 89 7.476 20.734 3.379 612 HA GLU 89 HA GLU 89 6.665 22.022 0.889 613 1HB GLU 89 2HB GLU 89 7.333 19.344 0.896 614 2HB GLU 89 1HB GLU 89 5.594 19.305 1.150 615 1HG GLU 89 2HG GLU 89 6.651 21.036 -1.013 616 2HG GLU 89 1HG GLU 89 6.651 19.290 -1.260 617 HA PRO 90 HA PRO 90 3.309 23.157 3.537 618 1HB PRO 90 2HB PRO 90 1.469 23.674 1.518 619 2HB PRO 90 1HB PRO 90 2.670 24.816 2.127 620 1HG PRO 90 2HG PRO 90 2.765 23.078 -0.301 621 2HG PRO 90 1HG PRO 90 3.343 24.741 -0.084 622 1HD PRO 90 2HD PRO 90 5.035 22.666 -0.109 623 2HD PRO 90 1HD PRO 90 5.293 24.056 0.968 624 H THR 91 H THR 91 2.965 20.676 1.101 625 HA THR 91 HA THR 91 0.693 19.555 2.621 626 HB THR 91 HB THR 91 0.700 18.231 0.195 627 HG1 THR 91 1HG THR 91 2.222 19.911 -0.525 628 1HG2 THR 91 1HG2 THR 91 -1.116 20.259 -0.192 629 2HG2 THR 91 2HG2 THR 91 -0.936 20.224 1.563 630 3HG2 THR 91 3HG2 THR 91 -1.418 18.766 0.697 631 H LEU 92 H LEU 92 3.842 19.351 2.396 632 HA LEU 92 HA LEU 92 5.471 17.819 2.706 633 1HB LEU 92 2HB LEU 92 3.110 16.297 3.786 634 2HB LEU 92 1HB LEU 92 4.727 15.617 3.782 635 HG LEU 92 HG LEU 92 5.031 18.138 4.944 636 1HD1 LEU 92 1HD1 LEU 92 2.465 16.826 5.774 637 2HD1 LEU 92 2HD1 LEU 92 3.383 17.853 6.876 638 3HD1 LEU 92 3HD1 LEU 92 2.766 18.516 5.363 639 1HD2 LEU 92 1HD2 LEU 92 5.165 15.309 5.744 640 2HD2 LEU 92 2HD2 LEU 92 6.345 16.605 5.939 641 3HD2 LEU 92 3HD2 LEU 92 4.994 16.467 7.064 642 H MET 93 H MET 93 3.995 17.952 0.159 643 HA MET 93 HA MET 93 4.115 15.204 -0.816 644 1HB MET 93 2HB MET 93 2.473 17.352 -1.424 645 2HB MET 93 1HB MET 93 3.561 17.267 -2.804 646 1HG MET 93 2HG MET 93 1.847 15.027 -1.748 647 2HG MET 93 1HG MET 93 1.549 15.979 -3.201 648 1HE MET 93 1HE MET 93 1.155 14.317 -4.535 649 2HE MET 93 2HE MET 93 2.442 14.266 -5.738 650 3HE MET 93 3HE MET 93 2.058 12.826 -4.795 651 H GLY 94 H GLY 94 6.513 15.454 -0.261 652 1HA GLY 94 1HA GLY 94 7.906 16.383 -2.689 653 2HA GLY 94 2HA GLY 94 8.605 16.551 -1.082 654 H GLY 95 H GLY 95 9.586 15.093 -3.461 655 1HA GLY 95 1HA GLY 95 10.004 12.520 -2.111 656 2HA GLY 95 2HA GLY 95 9.421 12.513 -3.770 657 H GLU 96 H GLU 96 12.004 13.858 -1.762 658 HA GLU 96 HA GLU 96 13.759 14.268 -3.988 659 1HB GLU 96 2HB GLU 96 14.065 15.704 -2.123 660 2HB GLU 96 1HB GLU 96 14.134 14.360 -0.993 661 1HG GLU 96 2HG GLU 96 16.186 14.366 -3.089 662 2HG GLU 96 1HG GLU 96 16.270 15.699 -1.942 663 H PHE 97 H PHE 97 14.741 12.671 -5.033 664 HA PHE 97 HA PHE 97 16.117 10.571 -3.658 665 1HB PHE 97 2HB PHE 97 14.739 8.768 -4.040 666 2HB PHE 97 1HB PHE 97 13.539 10.017 -3.758 667 HD1 PHE 97 1HD PHE 97 14.091 7.281 -5.633 668 HD2 PHE 97 2HD PHE 97 13.144 11.398 -6.173 669 HE1 PHE 97 1HE PHE 97 13.051 6.759 -7.807 670 HE2 PHE 97 2HE PHE 97 12.111 10.882 -8.344 671 HZ PHE 97 HZ PHE 97 12.062 8.562 -9.165 672 H GLY 98 H GLY 98 16.859 8.874 -5.319 673 1HA GLY 98 1HA GLY 98 17.068 9.956 -8.033 674 2HA GLY 98 2HA GLY 98 18.565 9.593 -7.177 675 H ASP 99 H ASP 99 16.113 7.587 -6.179 676 HA ASP 99 HA ASP 99 17.376 5.329 -7.430 677 1HB ASP 99 2HB ASP 99 14.941 4.994 -5.751 678 2HB ASP 99 1HB ASP 99 16.424 4.048 -5.784 679 H GLU 100 H GLU 100 14.698 3.874 -7.152 680 HA GLU 100 HA GLU 100 14.070 4.269 -9.957 681 1HB GLU 100 2HB GLU 100 13.859 1.970 -8.066 682 2HB GLU 100 1HB GLU 100 12.902 1.969 -9.543 683 1HG GLU 100 2HG GLU 100 14.652 1.410 -10.778 684 2HG GLU 100 1HG GLU 100 15.643 2.685 -10.074 685 H ASP 101 H ASP 101 12.164 3.674 -6.966 686 HA ASP 101 HA ASP 101 9.846 4.867 -8.327 687 1HB ASP 101 2HB ASP 101 9.996 2.404 -8.746 688 2HB ASP 101 1HB ASP 101 9.859 2.161 -7.006 689 H GLU 102 H GLU 102 9.834 6.562 -6.795 690 HA GLU 102 HA GLU 102 8.941 5.740 -4.111 691 1HB GLU 102 2HB GLU 102 9.172 8.248 -3.594 692 2HB GLU 102 1HB GLU 102 10.643 7.298 -3.745 693 1HG GLU 102 2HG GLU 102 11.226 9.102 -4.976 694 2HG GLU 102 1HG GLU 102 10.507 8.109 -6.242 695 H ARG 103 H ARG 103 7.563 8.127 -3.535 696 HA ARG 103 HA ARG 103 5.402 8.866 -3.527 697 1HB ARG 103 2HB ARG 103 6.820 9.862 -5.626 698 2HB ARG 103 1HB ARG 103 5.388 9.245 -6.439 699 1HG ARG 103 2HG ARG 103 4.760 11.399 -5.959 700 2HG ARG 103 1HG ARG 103 4.106 10.523 -4.572 701 1HD ARG 103 2HD ARG 103 5.359 11.706 -3.167 702 2HD ARG 103 1HD ARG 103 6.823 11.292 -4.058 703 HE ARG 103 HE ARG 103 5.178 13.685 -4.401 704 1HH1 ARG 103 2HH1 ARG 103 8.028 11.822 -5.237 705 2HH1 ARG 103 1HH1 ARG 103 8.731 13.101 -6.184 706 1HH2 ARG 103 2HH2 ARG 103 6.118 15.376 -5.624 707 2HH2 ARG 103 1HH2 ARG 103 7.660 15.123 -6.389 708 H LEU 104 H LEU 104 5.211 6.157 -3.506 709 HA LEU 104 HA LEU 104 3.284 5.340 -5.525 710 1HB LEU 104 2HB LEU 104 4.961 3.760 -4.544 711 2HB LEU 104 1HB LEU 104 4.158 3.926 -2.997 712 HG LEU 104 HG LEU 104 2.063 3.049 -4.180 713 1HD1 LEU 104 1HD1 LEU 104 2.160 2.201 -6.264 714 2HD1 LEU 104 2HD1 LEU 104 3.480 3.356 -6.439 715 3HD1 LEU 104 3HD1 LEU 104 3.830 1.664 -6.085 716 1HD2 LEU 104 1HD2 LEU 104 2.563 0.937 -3.464 717 2HD2 LEU 104 2HD2 LEU 104 4.189 0.971 -4.151 718 3HD2 LEU 104 3HD2 LEU 104 3.843 1.846 -2.661 719 H ILE 105 H ILE 105 3.232 7.322 -2.976 720 HA ILE 105 HA ILE 105 0.861 6.507 -1.603 721 HB ILE 105 HB ILE 105 2.155 9.229 -1.606 722 1HG1 ILE 105 2HG1 ILE 105 3.199 6.758 -0.680 723 1HG2 ILE 105 1HG2 ILE 105 -0.128 9.157 -0.714 724 2HG2 ILE 105 2HG2 ILE 105 0.366 7.912 0.431 725 3HG2 ILE 105 3HG2 ILE 105 1.058 9.532 0.535 726 1HD1 ILE 105 1HD1 ILE 105 1.817 7.334 1.405 727 2HD1 ILE 105 2HD1 ILE 105 3.529 6.945 1.592 728 3HD1 ILE 105 3HD1 ILE 105 2.996 8.626 1.631 729 H THR 106 H THR 106 -0.874 6.362 -2.900 730 HA THR 106 HA THR 106 -1.744 8.798 -4.309 731 HB THR 106 HB THR 106 -3.153 6.168 -4.560 732 HG1 THR 106 1HG THR 106 -0.940 5.721 -4.968 733 1HG2 THR 106 1HG2 THR 106 -4.258 7.192 -6.199 734 2HG2 THR 106 2HG2 THR 106 -2.758 7.716 -6.966 735 3HG2 THR 106 3HG2 THR 106 -3.481 8.692 -5.686 736 H ARG 107 H ARG 107 -3.215 9.975 -3.216 737 HA ARG 107 HA ARG 107 -4.875 8.566 -1.241 738 1HB ARG 107 2HB ARG 107 -4.464 10.323 0.401 739 2HB ARG 107 1HB ARG 107 -2.964 9.536 -0.069 740 1HG ARG 107 2HG ARG 107 -2.093 11.428 -0.862 741 2HG ARG 107 1HG ARG 107 -3.593 11.884 -1.673 742 1HD ARG 107 2HD ARG 107 -3.646 13.505 -0.113 743 2HD ARG 107 1HD ARG 107 -4.304 12.224 0.905 744 HE ARG 107 HE ARG 107 -1.403 12.544 0.872 745 1HH1 ARG 107 2HH1 ARG 107 -4.435 13.255 2.490 746 2HH1 ARG 107 1HH1 ARG 107 -3.702 13.458 4.058 747 1HH2 ARG 107 2HH2 ARG 107 -0.428 12.842 2.923 748 2HH2 ARG 107 1HH2 ARG 107 -1.418 13.245 4.297 749 H LEU 108 H LEU 108 -6.885 9.276 -0.951 750 HA LEU 108 HA LEU 108 -7.728 11.809 -2.085 751 1HB LEU 108 2HB LEU 108 -8.137 9.409 -3.496 752 2HB LEU 108 1HB LEU 108 -9.682 9.790 -2.760 753 HG LEU 108 HG LEU 108 -9.143 12.194 -3.787 754 1HD1 LEU 108 1HD1 LEU 108 -8.263 11.153 -6.206 755 2HD1 LEU 108 2HD1 LEU 108 -7.359 12.190 -5.104 756 3HD1 LEU 108 3HD1 LEU 108 -7.199 10.437 -4.995 757 1HD2 LEU 108 1HD2 LEU 108 -10.140 10.685 -5.966 758 2HD2 LEU 108 2HD2 LEU 108 -10.742 9.951 -4.478 759 3HD2 LEU 108 3HD2 LEU 108 -11.038 11.660 -4.801 760 H GLU 109 H GLU 109 -8.421 12.660 -0.250 761 HA GLU 109 HA GLU 109 -9.551 11.109 1.856 762 1HB GLU 109 2HB GLU 109 -9.144 14.051 1.396 763 2HB GLU 109 1HB GLU 109 -10.068 13.479 2.780 764 1HG GLU 109 2HG GLU 109 -8.239 12.852 3.887 765 2HG GLU 109 1HG GLU 109 -7.503 12.130 2.458 766 H ASN 110 H ASN 110 -11.672 11.310 2.740 767 HA ASN 110 HA ASN 110 -13.670 11.025 0.799 768 1HB ASN 110 2HB ASN 110 -13.713 9.988 3.069 769 2HB ASN 110 1HB ASN 110 -14.075 11.571 3.748 770 1HD2 ASN 110 1HD2 ASN 110 -16.124 12.445 3.481 771 2HD2 ASN 110 2HD2 ASN 110 -17.462 11.530 2.865 772 H THR 111 H THR 111 -13.032 13.694 3.048 773 HA THR 111 HA THR 111 -14.985 15.310 1.545 774 HB THR 111 HB THR 111 -14.795 16.434 4.081 775 HG1 THR 111 1HG THR 111 -13.680 14.521 4.774 776 1HG2 THR 111 1HG2 THR 111 -16.854 14.340 3.526 777 2HG2 THR 111 2HG2 THR 111 -16.790 15.772 2.497 778 3HG2 THR 111 3HG2 THR 111 -17.043 15.947 4.234 779 H GLN 112 H GLN 112 -12.542 15.557 0.491 780 HA GLN 112 HA GLN 112 -11.024 17.646 1.797 781 1HB GLN 112 2HB GLN 112 -10.323 17.437 -0.967 782 2HB GLN 112 1HB GLN 112 -9.383 16.979 0.444 783 1HG GLN 112 2HG GLN 112 -9.453 14.967 -0.545 784 2HG GLN 112 1HG GLN 112 -10.993 14.856 0.305 785 1HE2 GLN 112 1HE2 GLN 112 -9.631 14.136 -2.481 786 2HE2 GLN 112 2HE2 GLN 112 -10.963 14.350 -3.573 787 H PHE 113 H PHE 113 -12.501 17.524 -1.450 788 HA PHE 113 HA PHE 113 -12.967 20.403 -1.357 789 1HB PHE 113 2HB PHE 113 -13.839 18.527 -3.554 790 2HB PHE 113 1HB PHE 113 -13.550 20.259 -3.657 791 HD1 PHE 113 1HD PHE 113 -11.024 20.891 -2.880 792 HD2 PHE 113 2HD PHE 113 -12.290 17.197 -4.569 793 HE1 PHE 113 1HE PHE 113 -8.728 20.462 -3.654 794 HE2 PHE 113 2HE PHE 113 -9.996 16.759 -5.343 795 HZ PHE 113 HZ PHE 113 -8.213 18.392 -4.887 796 H ASP 114 H ASP 114 -14.305 19.527 0.635 797 HA ASP 114 HA ASP 114 -17.111 19.395 -0.216 798 1HB ASP 114 2HB ASP 114 -15.892 17.117 0.397 799 2HB ASP 114 1HB ASP 114 -16.219 17.652 2.040 800 H ALA 115 H ALA 115 -18.228 19.056 2.290 801 HA ALA 115 HA ALA 115 -18.282 21.658 3.285 802 1HB ALA 115 1HB ALA 115 -19.306 20.349 5.353 803 2HB ALA 115 2HB ALA 115 -20.177 20.546 3.831 804 3HB ALA 115 3HB ALA 115 -19.328 19.038 4.172 805 H ALA 116 H ALA 116 -16.044 19.144 3.969 806 HA ALA 116 HA ALA 116 -15.264 20.164 6.551 807 1HB ALA 116 1HB ALA 116 -13.298 18.488 6.072 808 2HB ALA 116 2HB ALA 116 -14.908 17.909 6.499 809 3HB ALA 116 3HB ALA 116 -14.392 17.912 4.812 810 H ASN 117 H ASN 117 -14.689 21.121 3.408 811 HA ASN 117 HA ASN 117 -12.831 23.105 4.148 812 1HB ASN 117 2HB ASN 117 -11.421 20.880 3.945 813 2HB ASN 117 1HB ASN 117 -11.552 21.199 2.218 814 1HD2 ASN 117 1HD2 ASN 117 -10.012 22.398 1.366 815 2HD2 ASN 117 2HD2 ASN 117 -9.006 23.522 2.225 816 H GLY 118 H GLY 118 -15.031 23.687 3.049 817 1HA GLY 118 1HA GLY 118 -14.952 25.183 0.923 818 2HA GLY 118 2HA GLY 118 -14.764 23.630 0.121 819 H ILE 119 H ILE 119 -16.611 23.036 -0.808 820 HA ILE 119 HA ILE 119 -19.124 23.465 0.684 821 HB ILE 119 HB ILE 119 -19.144 23.407 -2.305 822 1HG1 ILE 119 2HG1 ILE 119 -19.112 26.128 -1.382 823 1HG2 ILE 119 1HG2 ILE 119 -20.841 25.337 -0.997 824 2HG2 ILE 119 2HG2 ILE 119 -21.272 23.975 -2.031 825 3HG2 ILE 119 3HG2 ILE 119 -21.045 23.731 -0.299 826 1HD1 ILE 119 1HD1 ILE 119 -17.468 24.534 -3.302 827 2HD1 ILE 119 2HD1 ILE 119 -18.643 25.809 -3.631 828 3HD1 ILE 119 3HD1 ILE 119 -17.081 26.212 -2.922 829 H ASP 120 H ASP 120 -20.683 21.867 0.553 830 HA ASP 120 HA ASP 120 -19.772 19.224 -0.253 831 1HB ASP 120 2HB ASP 120 -20.982 19.023 1.716 832 2HB ASP 120 1HB ASP 120 -22.103 20.305 1.283 833 H ASP 121 H ASP 121 -20.315 18.241 -2.098 834 HA ASP 121 HA ASP 121 -21.052 17.950 -4.226 835 1HB ASP 121 2HB ASP 121 -23.332 18.020 -3.029 836 2HB ASP 121 1HB ASP 121 -23.450 19.678 -3.607 837 H GLU 122 H GLU 122 -22.875 20.783 -4.596 838 HA GLU 122 HA GLU 122 -20.664 22.534 -5.165 839 1HB GLU 122 2HB GLU 122 -22.223 21.233 -7.338 840 2HB GLU 122 1HB GLU 122 -21.924 22.958 -7.509 841 1HG GLU 122 2HG GLU 122 -19.597 21.296 -6.795 842 2HG GLU 122 1HG GLU 122 -20.262 21.062 -8.410 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -20.504 -6.395 -8.728 2 2H GLY 1 2H GLY 1 -21.209 -5.294 -9.805 3 3H GLY 1 3H GLY 1 -21.706 -5.325 -8.186 4 1HA GLY 1 2HA GLY 1 -20.321 -3.484 -8.270 5 2HA GLY 1 1HA GLY 1 -19.303 -4.764 -7.618 6 H SER 2 H SER 2 -18.189 -2.540 -8.814 7 HA SER 2 HA SER 2 -17.114 -3.682 -11.312 8 1HB SER 2 2HB SER 2 -17.086 -0.729 -10.958 9 2HB SER 2 1HB SER 2 -17.312 -1.686 -12.422 10 HG SER 2 HG SER 2 -19.433 -2.073 -11.826 11 H LEU 3 H LEU 3 -16.260 -3.804 -8.469 12 HA LEU 3 HA LEU 3 -14.362 -3.774 -7.242 13 1HB LEU 3 2HB LEU 3 -13.404 -3.737 -10.028 14 2HB LEU 3 1HB LEU 3 -12.237 -3.207 -8.832 15 HG LEU 3 HG LEU 3 -13.709 -5.819 -8.579 16 1HD1 LEU 3 1HD1 LEU 3 -12.437 -5.677 -10.732 17 2HD1 LEU 3 2HD1 LEU 3 -10.974 -5.440 -9.775 18 3HD1 LEU 3 3HD1 LEU 3 -11.891 -6.938 -9.628 19 1HD2 LEU 3 1HD2 LEU 3 -11.861 -4.355 -6.963 20 2HD2 LEU 3 2HD2 LEU 3 -12.661 -5.892 -6.627 21 3HD2 LEU 3 3HD2 LEU 3 -11.118 -5.869 -7.484 22 H SER 4 H SER 4 -15.872 -1.333 -7.583 23 HA SER 4 HA SER 4 -13.864 0.779 -7.535 24 1HB SER 4 2HB SER 4 -16.659 1.452 -6.866 25 2HB SER 4 1HB SER 4 -15.562 2.196 -8.031 26 HG SER 4 HG SER 4 -16.246 0.888 -9.557 27 H TRP 5 H TRP 5 -14.878 -1.434 -5.395 28 HA TRP 5 HA TRP 5 -15.326 0.229 -3.102 29 1HB TRP 5 2HB TRP 5 -15.698 -1.748 -1.906 30 2HB TRP 5 1HB TRP 5 -16.243 -2.143 -3.528 31 HD1 TRP 5 HD TRP 5 -13.690 -3.116 -4.959 32 HE1 TRP 5 1HE TRP 5 -12.414 -5.212 -4.173 33 HE3 TRP 5 3HE TRP 5 -15.375 -3.325 -0.138 34 HZ2 TRP 5 2HZ TRP 5 -12.168 -6.756 -1.819 35 HZ3 TRP 5 3HZ TRP 5 -14.577 -5.143 1.315 36 HH2 TRP 5 HH TRP 5 -13.006 -6.823 0.491 37 H LYS 6 H LYS 6 -13.958 -0.070 -1.102 38 HA LYS 6 HA LYS 6 -11.124 -0.058 -1.886 39 1HB LYS 6 2HB LYS 6 -12.692 1.863 -0.465 40 2HB LYS 6 1HB LYS 6 -11.454 1.233 0.614 41 1HG LYS 6 2HG LYS 6 -10.052 2.673 -0.313 42 2HG LYS 6 1HG LYS 6 -10.121 1.684 -1.773 43 1HD LYS 6 2HD LYS 6 -12.420 3.402 -1.626 44 2HD LYS 6 1HD LYS 6 -10.939 4.345 -1.468 45 1HE LYS 6 2HE LYS 6 -10.699 4.239 -3.672 46 2HE LYS 6 1HE LYS 6 -10.454 2.500 -3.521 47 1HZ LYS 6 1HZ LYS 6 -12.601 3.870 -4.707 48 2HZ LYS 6 2HZ LYS 6 -13.199 2.979 -3.391 49 3HZ LYS 6 3HZ LYS 6 -12.329 2.201 -4.623 50 H ARG 7 H ARG 7 -9.904 -1.609 -1.069 51 HA ARG 7 HA ARG 7 -10.675 -2.777 1.508 52 1HB ARG 7 2HB ARG 7 -10.281 -4.987 0.803 53 2HB ARG 7 1HB ARG 7 -11.240 -4.268 -0.482 54 1HG ARG 7 2HG ARG 7 -9.714 -5.082 -1.873 55 2HG ARG 7 1HG ARG 7 -8.664 -3.786 -1.302 56 1HD ARG 7 2HD ARG 7 -8.181 -6.522 -1.147 57 2HD ARG 7 1HD ARG 7 -7.275 -5.240 -0.349 58 HE ARG 7 HE ARG 7 -8.549 -5.632 1.640 59 1HH1 ARG 7 2HH1 ARG 7 -9.070 -7.964 -0.920 60 2HH1 ARG 7 1HH1 ARG 7 -9.671 -9.202 0.149 61 1HH2 ARG 7 2HH2 ARG 7 -9.351 -7.258 3.054 62 2HH2 ARG 7 1HH2 ARG 7 -9.831 -8.801 2.410 63 H CYS 8 H CYS 8 -9.060 -3.099 2.908 64 HA CYS 8 HA CYS 8 -6.554 -1.830 2.314 65 1HB CYS 8 2HB CYS 8 -7.917 -1.542 4.435 66 2HB CYS 8 1HB CYS 8 -7.408 -3.161 4.881 67 H ALA 9 H ALA 9 -4.542 -2.729 2.606 68 HA ALA 9 HA ALA 9 -4.413 -5.673 2.619 69 1HB ALA 9 1HB ALA 9 -2.717 -5.681 1.071 70 2HB ALA 9 2HB ALA 9 -3.628 -4.276 0.520 71 3HB ALA 9 3HB ALA 9 -2.176 -4.057 1.496 72 H GLY 10 H GLY 10 -4.074 -3.040 4.457 73 1HA GLY 10 1HA GLY 10 -1.533 -3.754 5.715 74 2HA GLY 10 2HA GLY 10 -2.518 -2.345 6.081 75 H CYS 11 H CYS 11 -4.947 -3.370 6.681 76 HA CYS 11 HA CYS 11 -4.348 -5.026 9.026 77 1HB CYS 11 2HB CYS 11 -6.627 -4.373 9.820 78 2HB CYS 11 1HB CYS 11 -5.500 -3.033 9.671 79 H GLY 12 H GLY 12 -5.911 -4.976 5.992 80 1HA GLY 12 1HA GLY 12 -6.251 -6.975 4.794 81 2HA GLY 12 2HA GLY 12 -6.472 -7.820 6.317 82 H GLY 13 H GLY 13 -8.298 -5.007 6.408 83 1HA GLY 13 1HA GLY 13 -10.658 -6.586 5.701 84 2HA GLY 13 2HA GLY 13 -10.630 -5.256 6.847 85 H LYS 14 H LYS 14 -12.263 -4.224 5.889 86 HA LYS 14 HA LYS 14 -11.909 -3.245 3.142 87 1HB LYS 14 2HB LYS 14 -14.013 -4.388 3.500 88 2HB LYS 14 1HB LYS 14 -14.358 -3.394 4.907 89 1HG LYS 14 2HG LYS 14 -14.222 -1.422 3.216 90 2HG LYS 14 1HG LYS 14 -14.484 -2.685 2.011 91 1HD LYS 14 2HD LYS 14 -16.255 -2.487 4.415 92 2HD LYS 14 1HD LYS 14 -16.530 -1.450 3.014 93 1HE LYS 14 2HE LYS 14 -17.404 -3.120 1.822 94 2HE LYS 14 1HE LYS 14 -16.110 -4.228 2.278 95 1HZ LYS 14 1HZ LYS 14 -17.270 -4.557 4.417 96 2HZ LYS 14 2HZ LYS 14 -18.183 -5.066 3.080 97 3HZ LYS 14 3HZ LYS 14 -18.551 -3.600 3.849 98 H ILE 15 H ILE 15 -11.892 -1.056 2.696 99 HA ILE 15 HA ILE 15 -11.576 0.690 5.036 100 HB ILE 15 HB ILE 15 -10.933 1.595 2.264 101 1HG1 ILE 15 2HG1 ILE 15 -9.100 -0.083 3.994 102 1HG2 ILE 15 1HG2 ILE 15 -9.074 2.294 4.342 103 2HG2 ILE 15 2HG2 ILE 15 -10.083 3.339 3.343 104 3HG2 ILE 15 3HG2 ILE 15 -10.726 2.666 4.841 105 1HD1 ILE 15 1HD1 ILE 15 -8.444 0.584 1.191 106 2HD1 ILE 15 2HD1 ILE 15 -8.190 1.831 2.412 107 3HD1 ILE 15 3HD1 ILE 15 -7.384 0.270 2.567 108 H ALA 16 H ALA 16 -13.665 1.226 5.535 109 HA ALA 16 HA ALA 16 -15.183 2.655 3.444 110 1HB ALA 16 1HB ALA 16 -16.107 1.390 6.020 111 2HB ALA 16 2HB ALA 16 -17.114 2.454 5.041 112 3HB ALA 16 3HB ALA 16 -16.540 0.926 4.376 113 H ASP 17 H ASP 17 -12.925 3.212 5.557 114 HA ASP 17 HA ASP 17 -14.000 5.427 7.053 115 1HB ASP 17 2HB ASP 17 -11.142 4.494 6.674 116 2HB ASP 17 1HB ASP 17 -11.667 5.724 7.816 117 H ARG 18 H ARG 18 -13.398 7.595 6.790 118 HA ARG 18 HA ARG 18 -13.332 8.512 4.114 119 1HB ARG 18 2HB ARG 18 -14.356 9.719 6.035 120 2HB ARG 18 1HB ARG 18 -12.743 10.040 6.652 121 1HG ARG 18 2HG ARG 18 -13.067 11.989 5.573 122 2HG ARG 18 1HG ARG 18 -12.443 11.055 4.211 123 1HD ARG 18 2HD ARG 18 -15.366 10.980 4.732 124 2HD ARG 18 1HD ARG 18 -14.686 12.461 4.061 125 HE ARG 18 HE ARG 18 -14.788 9.836 2.770 126 1HH1 ARG 18 2HH1 ARG 18 -13.803 13.204 2.638 127 2HH1 ARG 18 1HH1 ARG 18 -13.539 13.187 0.915 128 1HH2 ARG 18 2HH2 ARG 18 -14.428 9.799 0.545 129 2HH2 ARG 18 1HH2 ARG 18 -13.878 11.233 -0.283 130 H PHE 19 H PHE 19 -10.875 7.836 6.430 131 HA PHE 19 HA PHE 19 -8.858 9.209 4.811 132 1HB PHE 19 2HB PHE 19 -8.666 8.156 7.643 133 2HB PHE 19 1HB PHE 19 -7.455 9.131 6.808 134 HD1 PHE 19 1HD PHE 19 -10.809 9.156 8.332 135 HD2 PHE 19 2HD PHE 19 -7.714 11.477 6.568 136 HE1 PHE 19 1HE PHE 19 -11.926 11.213 9.090 137 HE2 PHE 19 2HE PHE 19 -8.823 13.534 7.322 138 HZ PHE 19 HZ PHE 19 -10.929 13.408 8.573 139 H LEU 20 H LEU 20 -7.886 7.950 3.377 140 HA LEU 20 HA LEU 20 -6.934 5.321 4.213 141 1HB LEU 20 2HB LEU 20 -8.188 4.103 2.802 142 2HB LEU 20 1HB LEU 20 -9.277 5.473 2.872 143 HG LEU 20 HG LEU 20 -7.396 5.992 0.810 144 1HD1 LEU 20 1HD1 LEU 20 -7.655 3.242 1.154 145 2HD1 LEU 20 2HD1 LEU 20 -8.730 3.642 -0.184 146 3HD1 LEU 20 3HD1 LEU 20 -7.025 4.085 -0.261 147 1HD2 LEU 20 1HD2 LEU 20 -10.328 5.347 0.904 148 2HD2 LEU 20 2HD2 LEU 20 -9.556 6.926 0.735 149 3HD2 LEU 20 3HD2 LEU 20 -9.487 5.765 -0.593 150 H LEU 21 H LEU 21 -5.585 4.323 2.426 151 HA LEU 21 HA LEU 21 -4.166 6.362 0.855 152 1HB LEU 21 2HB LEU 21 -3.077 5.374 3.117 153 2HB LEU 21 1HB LEU 21 -2.571 4.133 1.987 154 HG LEU 21 HG LEU 21 -2.073 6.890 1.086 155 1HD1 LEU 21 1HD1 LEU 21 -1.391 6.183 3.738 156 2HD1 LEU 21 2HD1 LEU 21 0.091 6.208 2.786 157 3HD1 LEU 21 3HD1 LEU 21 -0.946 7.630 2.837 158 1HD2 LEU 21 1HD2 LEU 21 0.247 5.555 0.878 159 2HD2 LEU 21 2HD2 LEU 21 -0.879 4.199 0.909 160 3HD2 LEU 21 3HD2 LEU 21 -1.043 5.454 -0.318 161 H TYR 22 H TYR 22 -3.187 5.557 -1.033 162 HA TYR 22 HA TYR 22 -3.884 2.787 -1.749 163 1HB TYR 22 2HB TYR 22 -3.660 4.790 -3.947 164 2HB TYR 22 1HB TYR 22 -4.600 3.311 -3.875 165 HD1 TYR 22 1HD TYR 22 -4.523 6.840 -2.732 166 HD2 TYR 22 2HD TYR 22 -6.896 3.359 -3.312 167 HE1 TYR 22 1HE TYR 22 -6.551 8.173 -2.375 168 HE2 TYR 22 2HE TYR 22 -8.933 4.686 -2.954 169 HH TYR 22 HH TYR 22 -9.777 6.764 -2.758 170 H ALA 23 H ALA 23 -2.066 1.657 -2.003 171 HA ALA 23 HA ALA 23 0.245 2.892 -3.284 172 1HB ALA 23 1HB ALA 23 1.765 2.312 -1.473 173 2HB ALA 23 2HB ALA 23 0.519 3.430 -0.912 174 3HB ALA 23 3HB ALA 23 0.411 1.714 -0.513 175 H MET 24 H MET 24 1.700 1.455 -4.147 176 HA MET 24 HA MET 24 2.396 -0.440 -5.179 177 1HB MET 24 2HB MET 24 1.927 -1.144 -2.376 178 2HB MET 24 1HB MET 24 1.918 -2.527 -3.460 179 1HG MET 24 2HG MET 24 4.113 -1.309 -4.356 180 2HG MET 24 1HG MET 24 4.129 -0.729 -2.692 181 1HE MET 24 1HE MET 24 3.959 -4.150 -4.869 182 2HE MET 24 2HE MET 24 3.791 -5.249 -3.499 183 3HE MET 24 3HE MET 24 2.551 -4.033 -3.811 184 H ASP 25 H ASP 25 -0.228 0.304 -5.870 185 HA ASP 25 HA ASP 25 -1.965 -0.472 -7.108 186 1HB ASP 25 2HB ASP 25 -0.033 -2.725 -7.233 187 2HB ASP 25 1HB ASP 25 -1.697 -3.088 -7.682 188 H SER 26 H SER 26 -2.016 -0.559 -4.226 189 HA SER 26 HA SER 26 -4.367 -2.222 -3.939 190 1HB SER 26 2HB SER 26 -2.948 -2.618 -1.518 191 2HB SER 26 1HB SER 26 -3.387 -3.836 -2.715 192 HG SER 26 HG SER 26 -1.285 -2.536 -3.649 193 H TYR 27 H TYR 27 -5.389 -1.756 -1.728 194 HA TYR 27 HA TYR 27 -4.938 1.086 -1.122 195 1HB TYR 27 2HB TYR 27 -7.506 -0.427 -0.643 196 2HB TYR 27 1HB TYR 27 -7.250 1.311 -0.550 197 HD1 TYR 27 1HD TYR 27 -5.630 1.589 -3.171 198 HD2 TYR 27 2HD TYR 27 -9.252 -0.457 -2.217 199 HE1 TYR 27 1HE TYR 27 -6.367 1.798 -5.505 200 HE2 TYR 27 2HE TYR 27 -9.983 -0.250 -4.551 201 HH TYR 27 HH TYR 27 -8.122 1.607 -6.912 202 H TRP 28 H TRP 28 -5.054 1.745 1.033 203 HA TRP 28 HA TRP 28 -4.721 -0.302 3.104 204 1HB TRP 28 2HB TRP 28 -2.701 1.914 2.652 205 2HB TRP 28 1HB TRP 28 -2.594 0.609 3.819 206 HD1 TRP 28 HD TRP 28 -2.585 1.043 -0.041 207 HE1 TRP 28 1HE TRP 28 -1.032 -0.749 -1.040 208 HE3 TRP 28 3HE TRP 28 -1.304 -1.408 4.260 209 HZ2 TRP 28 2HZ TRP 28 0.533 -2.902 -0.121 210 HZ3 TRP 28 3HZ TRP 28 0.232 -3.321 4.112 211 HH2 TRP 28 HH TRP 28 1.132 -4.052 1.962 212 H HIS 29 H HIS 29 -4.160 0.992 5.229 213 HA HIS 29 HA HIS 29 -5.892 3.370 5.363 214 1HB HIS 29 2HB HIS 29 -5.050 1.377 7.451 215 2HB HIS 29 1HB HIS 29 -5.527 3.005 7.919 216 HD2 HIS 29 2HD HIS 29 -8.249 3.653 7.121 217 HE1 HIS 29 1HE HIS 29 -9.347 -0.437 7.191 218 HE2 HIS 29 2HE HIS 29 -10.197 1.951 7.405 219 H SER 30 H SER 30 -4.926 4.965 7.094 220 HA SER 30 HA SER 30 -2.546 5.970 6.039 221 1HB SER 30 2HB SER 30 -3.001 6.856 8.762 222 2HB SER 30 1HB SER 30 -3.135 7.760 7.252 223 HG SER 30 HG SER 30 -5.100 6.228 8.589 224 H ARG 31 H ARG 31 -3.113 4.185 9.064 225 HA ARG 31 HA ARG 31 -0.234 4.051 9.514 226 1HB ARG 31 2HB ARG 31 -1.928 4.576 11.340 227 2HB ARG 31 1HB ARG 31 -2.375 2.876 11.272 228 1HG ARG 31 2HG ARG 31 -0.004 2.295 11.777 229 2HG ARG 31 1HG ARG 31 0.317 4.016 11.995 230 1HD ARG 31 2HD ARG 31 -0.299 2.443 14.030 231 2HD ARG 31 1HD ARG 31 -0.822 4.124 13.964 232 HE ARG 31 HE ARG 31 -3.012 3.414 13.478 233 1HH1 ARG 31 2HH1 ARG 31 -0.792 0.734 13.891 234 2HH1 ARG 31 1HH1 ARG 31 -2.047 -0.430 14.197 235 1HH2 ARG 31 2HH2 ARG 31 -4.678 1.882 13.826 236 2HH2 ARG 31 1HH2 ARG 31 -4.268 0.216 14.128 237 H CYS 32 H CYS 32 -2.564 2.222 7.957 238 HA CYS 32 HA CYS 32 -1.455 -0.373 8.546 239 1HB CYS 32 2HB CYS 32 -3.450 0.608 6.510 240 2HB CYS 32 1HB CYS 32 -2.894 -1.060 6.562 241 H LEU 33 H LEU 33 -1.085 2.144 6.174 242 HA LEU 33 HA LEU 33 0.694 0.582 4.505 243 1HB LEU 33 2HB LEU 33 -0.861 2.582 3.812 244 2HB LEU 33 1HB LEU 33 0.477 3.565 4.374 245 HG LEU 33 HG LEU 33 0.155 2.581 1.818 246 1HD1 LEU 33 1HD1 LEU 33 2.546 3.603 3.309 247 2HD1 LEU 33 2HD1 LEU 33 2.589 3.257 1.581 248 3HD1 LEU 33 3HD1 LEU 33 1.475 4.470 2.210 249 1HD2 LEU 33 1HD2 LEU 33 0.736 0.347 2.257 250 2HD2 LEU 33 2HD2 LEU 33 2.197 1.082 1.597 251 3HD2 LEU 33 3HD2 LEU 33 2.051 0.813 3.334 252 H LYS 34 H LYS 34 2.018 0.013 6.349 253 HA LYS 34 HA LYS 34 3.897 2.141 7.106 254 1HB LYS 34 2HB LYS 34 4.485 0.262 8.909 255 2HB LYS 34 1HB LYS 34 3.204 1.436 9.171 256 1HG LYS 34 2HG LYS 34 2.031 -0.411 9.697 257 2HG LYS 34 1HG LYS 34 1.788 -0.477 7.950 258 1HD LYS 34 2HD LYS 34 4.268 -1.749 8.744 259 2HD LYS 34 1HD LYS 34 2.872 -2.467 9.553 260 1HE LYS 34 2HE LYS 34 2.275 -1.996 6.786 261 2HE LYS 34 1HE LYS 34 3.769 -2.919 6.932 262 1HZ LYS 34 1HZ LYS 34 1.798 -4.340 6.819 263 2HZ LYS 34 2HZ LYS 34 1.195 -3.628 8.234 264 3HZ LYS 34 3HZ LYS 34 2.628 -4.534 8.284 265 H CYS 35 H CYS 35 6.117 1.464 7.377 266 HA CYS 35 HA CYS 35 7.147 0.248 5.084 267 1HB CYS 35 2HB CYS 35 8.155 1.951 6.729 268 2HB CYS 35 1HB CYS 35 8.631 0.549 7.670 269 H SER 36 H SER 36 8.687 -1.563 5.064 270 HA SER 36 HA SER 36 7.652 -3.838 6.584 271 1HB SER 36 2HB SER 36 9.652 -3.818 4.312 272 2HB SER 36 1HB SER 36 8.871 -5.235 5.013 273 HG SER 36 HG SER 36 7.679 -3.139 3.516 274 H SER 37 H SER 37 10.214 -1.602 6.619 275 HA SER 37 HA SER 37 11.832 -3.414 8.277 276 1HB SER 37 2HB SER 37 12.794 -0.792 7.147 277 2HB SER 37 1HB SER 37 13.751 -2.150 7.731 278 HG SER 37 HG SER 37 12.473 -3.271 5.877 279 H CYS 38 H CYS 38 11.481 0.136 8.177 280 HA CYS 38 HA CYS 38 11.850 0.258 11.003 281 1HB CYS 38 2HB CYS 38 11.873 2.639 10.724 282 2HB CYS 38 1HB CYS 38 12.735 1.932 9.364 283 H GLN 39 H GLN 39 9.111 0.158 8.956 284 HA GLN 39 HA GLN 39 6.875 0.145 9.289 285 1HB GLN 39 2HB GLN 39 7.906 -0.504 11.966 286 2HB GLN 39 1HB GLN 39 6.282 0.179 11.945 287 1HG GLN 39 2HG GLN 39 5.674 -1.962 11.678 288 2HG GLN 39 1HG GLN 39 6.048 -1.642 9.984 289 1HE2 GLN 39 1HE2 GLN 39 7.504 -2.874 9.024 290 2HE2 GLN 39 2HE2 GLN 39 8.595 -3.961 9.824 291 H ALA 40 H ALA 40 8.567 2.680 9.465 292 HA ALA 40 HA ALA 40 7.095 4.494 11.070 293 1HB ALA 40 1HB ALA 40 8.479 5.579 8.712 294 2HB ALA 40 2HB ALA 40 8.583 6.050 10.409 295 3HB ALA 40 3HB ALA 40 9.490 4.654 9.823 296 H GLN 41 H GLN 41 5.251 5.285 10.715 297 HA GLN 41 HA GLN 41 3.468 4.539 8.785 298 1HB GLN 41 2HB GLN 41 3.353 6.095 11.018 299 2HB GLN 41 1HB GLN 41 3.079 7.294 9.761 300 1HG GLN 41 2HG GLN 41 1.318 5.616 8.887 301 2HG GLN 41 1HG GLN 41 1.426 4.925 10.510 302 1HE2 GLN 41 1HE2 GLN 41 1.061 6.411 12.323 303 2HE2 GLN 41 2HE2 GLN 41 -0.056 7.721 12.116 304 H LEU 42 H LEU 42 3.909 4.669 6.666 305 HA LEU 42 HA LEU 42 5.366 6.775 5.486 306 1HB LEU 42 2HB LEU 42 3.818 4.434 4.471 307 2HB LEU 42 1HB LEU 42 4.332 5.669 3.341 308 HG LEU 42 HG LEU 42 6.426 4.611 5.139 309 1HD1 LEU 42 1HD1 LEU 42 6.471 2.823 3.028 310 2HD1 LEU 42 2HD1 LEU 42 6.031 2.468 4.699 311 3HD1 LEU 42 3HD1 LEU 42 4.780 2.862 3.523 312 1HD2 LEU 42 1HD2 LEU 42 6.378 5.094 2.165 313 2HD2 LEU 42 2HD2 LEU 42 6.805 6.313 3.363 314 3HD2 LEU 42 3HD2 LEU 42 7.796 4.866 3.189 315 H GLY 43 H GLY 43 2.049 6.415 6.242 316 1HA GLY 43 1HA GLY 43 1.075 8.338 4.331 317 2HA GLY 43 2HA GLY 43 0.190 7.695 5.708 318 H ASP 44 H ASP 44 2.246 8.381 7.628 319 HA ASP 44 HA ASP 44 1.375 11.048 8.171 320 1HB ASP 44 2HB ASP 44 1.692 9.353 9.950 321 2HB ASP 44 1HB ASP 44 3.425 9.385 9.643 322 H ILE 45 H ILE 45 4.241 9.646 6.774 323 HA ILE 45 HA ILE 45 5.853 11.989 7.211 324 HB ILE 45 HB ILE 45 7.528 10.937 5.781 325 1HG1 ILE 45 2HG1 ILE 45 5.664 8.590 5.467 326 1HG2 ILE 45 1HG2 ILE 45 8.015 9.022 7.175 327 2HG2 ILE 45 2HG2 ILE 45 7.375 10.339 8.159 328 3HG2 ILE 45 3HG2 ILE 45 6.342 8.973 7.736 329 1HD1 ILE 45 1HD1 ILE 45 8.409 9.004 4.859 330 2HD1 ILE 45 2HD1 ILE 45 7.412 7.573 4.590 331 3HD1 ILE 45 3HD1 ILE 45 7.509 8.825 3.353 332 H GLY 46 H GLY 46 3.492 11.073 4.949 333 1HA GLY 46 1HA GLY 46 2.620 12.150 3.121 334 2HA GLY 46 2HA GLY 46 3.466 13.576 3.704 335 H THR 47 H THR 47 4.703 10.481 2.499 336 HA THR 47 HA THR 47 5.817 11.849 0.175 337 HB THR 47 HB THR 47 7.689 9.946 1.414 338 HG1 THR 47 1HG THR 47 6.727 12.161 2.808 339 1HG2 THR 47 1HG2 THR 47 7.765 11.986 -0.485 340 2HG2 THR 47 2HG2 THR 47 9.137 11.076 0.149 341 3HG2 THR 47 3HG2 THR 47 8.679 12.610 0.888 342 H SER 48 H SER 48 7.072 10.010 -1.150 343 HA SER 48 HA SER 48 5.042 7.988 -1.607 344 1HB SER 48 2HB SER 48 7.123 7.811 -3.517 345 2HB SER 48 1HB SER 48 5.515 8.512 -3.732 346 HG SER 48 HG SER 48 7.864 9.764 -3.714 347 H SER 49 H SER 49 5.704 5.792 -2.185 348 HA SER 49 HA SER 49 8.038 4.888 -0.643 349 1HB SER 49 2HB SER 49 6.725 2.620 -0.837 350 2HB SER 49 1HB SER 49 6.232 3.809 0.369 351 HG SER 49 HG SER 49 4.367 3.783 -0.569 352 H TYR 50 H TYR 50 8.516 2.469 -1.678 353 HA TYR 50 HA TYR 50 8.767 2.876 -4.585 354 1HB TYR 50 2HB TYR 50 10.856 2.088 -2.581 355 2HB TYR 50 1HB TYR 50 10.984 1.535 -4.245 356 HD1 TYR 50 1HD TYR 50 10.810 3.428 -6.067 357 HD2 TYR 50 2HD TYR 50 11.811 4.108 -1.983 358 HE1 TYR 50 1HE TYR 50 11.914 5.532 -6.691 359 HE2 TYR 50 2HE TYR 50 12.911 6.215 -2.602 360 HH TYR 50 HH TYR 50 12.473 7.918 -4.890 361 H THR 51 H THR 51 8.899 0.894 -5.842 362 HA THR 51 HA THR 51 7.660 -1.394 -4.447 363 HB THR 51 HB THR 51 7.619 -1.329 -7.404 364 HG1 THR 51 1HG THR 51 7.035 0.768 -7.206 365 1HG2 THR 51 1HG2 THR 51 6.471 -3.114 -6.388 366 2HG2 THR 51 2HG2 THR 51 5.211 -1.984 -6.879 367 3HG2 THR 51 3HG2 THR 51 5.719 -2.057 -5.193 368 H LYS 52 H LYS 52 9.055 -2.935 -3.997 369 HA LYS 52 HA LYS 52 10.554 -4.169 -6.078 370 1HB LYS 52 2HB LYS 52 12.765 -4.101 -4.962 371 2HB LYS 52 1HB LYS 52 12.253 -2.520 -5.522 372 1HG LYS 52 2HG LYS 52 11.487 -3.109 -2.766 373 2HG LYS 52 1HG LYS 52 13.229 -3.079 -3.047 374 1HD LYS 52 2HD LYS 52 13.249 -0.859 -3.308 375 2HD LYS 52 1HD LYS 52 11.815 -0.882 -4.339 376 1HE LYS 52 2HE LYS 52 11.988 -0.763 -1.350 377 2HE LYS 52 1HE LYS 52 11.147 0.328 -2.454 378 1HZ LYS 52 1HZ LYS 52 9.322 -0.892 -2.283 379 2HZ LYS 52 2HZ LYS 52 10.085 -1.852 -1.109 380 3HZ LYS 52 3HZ LYS 52 10.149 -2.298 -2.737 381 H SER 53 H SER 53 10.684 -6.296 -5.697 382 HA SER 53 HA SER 53 10.392 -8.324 -4.707 383 1HB SER 53 2HB SER 53 11.059 -7.133 -2.036 384 2HB SER 53 1HB SER 53 11.534 -8.694 -2.713 385 HG SER 53 HG SER 53 13.334 -7.432 -2.845 386 H GLY 54 H GLY 54 8.242 -6.033 -4.403 387 1HA GLY 54 1HA GLY 54 6.080 -5.932 -3.600 388 2HA GLY 54 2HA GLY 54 6.254 -7.600 -3.063 389 H MET 55 H MET 55 8.769 -5.740 -1.946 390 HA MET 55 HA MET 55 7.653 -5.721 0.757 391 1HB MET 55 2HB MET 55 10.001 -6.674 -0.193 392 2HB MET 55 1HB MET 55 10.496 -5.056 0.283 393 1HG MET 55 2HG MET 55 9.346 -5.616 2.523 394 2HG MET 55 1HG MET 55 9.461 -7.290 1.975 395 1HE MET 55 1HE MET 55 11.784 -7.244 0.244 396 2HE MET 55 2HE MET 55 12.827 -5.842 0.477 397 3HE MET 55 3HE MET 55 13.299 -7.411 1.133 398 H ILE 56 H ILE 56 6.576 -3.853 1.033 399 HA ILE 56 HA ILE 56 7.238 -1.384 -0.134 400 HB ILE 56 HB ILE 56 5.548 -2.020 2.285 401 1HG1 ILE 56 2HG1 ILE 56 4.918 -1.398 -0.604 402 1HG2 ILE 56 1HG2 ILE 56 5.514 0.587 0.788 403 2HG2 ILE 56 2HG2 ILE 56 4.735 0.191 2.322 404 3HG2 ILE 56 3HG2 ILE 56 6.492 0.344 2.234 405 1HD1 ILE 56 1HD1 ILE 56 3.211 -1.254 1.760 406 2HD1 ILE 56 2HD1 ILE 56 2.993 -0.571 0.149 407 3HD1 ILE 56 3HD1 ILE 56 2.585 -2.259 0.455 408 H LEU 57 H LEU 57 8.805 -0.017 0.293 409 HA LEU 57 HA LEU 57 9.907 0.101 3.023 410 1HB LEU 57 2HB LEU 57 11.511 0.478 0.491 411 2HB LEU 57 1HB LEU 57 12.121 0.517 2.133 412 HG LEU 57 HG LEU 57 10.955 -1.932 0.819 413 1HD1 LEU 57 1HD1 LEU 57 13.012 -1.192 -0.304 414 2HD1 LEU 57 2HD1 LEU 57 13.844 -1.189 1.252 415 3HD1 LEU 57 3HD1 LEU 57 13.244 -2.703 0.576 416 1HD2 LEU 57 1HD2 LEU 57 12.155 -3.059 2.717 417 2HD2 LEU 57 2HD2 LEU 57 12.380 -1.461 3.426 418 3HD2 LEU 57 3HD2 LEU 57 10.754 -2.096 3.182 419 H CYS 58 H CYS 58 10.824 2.182 3.586 420 HA CYS 58 HA CYS 58 9.362 4.388 2.438 421 1HB CYS 58 2HB CYS 58 10.640 5.730 4.149 422 2HB CYS 58 1HB CYS 58 9.641 4.448 4.820 423 H ARG 59 H ARG 59 10.773 6.455 2.046 424 HA ARG 59 HA ARG 59 12.569 5.895 -0.102 425 1HB ARG 59 2HB ARG 59 11.359 8.258 1.132 426 2HB ARG 59 1HB ARG 59 13.005 8.536 0.583 427 1HG ARG 59 2HG ARG 59 11.507 7.124 -1.424 428 2HG ARG 59 1HG ARG 59 10.666 8.598 -0.938 429 1HD ARG 59 2HD ARG 59 13.575 8.492 -1.724 430 2HD ARG 59 1HD ARG 59 12.269 8.889 -2.839 431 HE ARG 59 HE ARG 59 13.284 10.543 -0.651 432 1HH1 ARG 59 2HH1 ARG 59 11.017 10.115 -3.298 433 2HH1 ARG 59 1HH1 ARG 59 10.467 11.767 -3.265 434 1HH2 ARG 59 2HH2 ARG 59 12.599 12.739 -0.642 435 2HH2 ARG 59 1HH2 ARG 59 11.400 13.260 -1.788 436 H ASN 60 H ASN 60 12.897 6.042 3.267 437 HA ASN 60 HA ASN 60 15.729 6.741 3.212 438 1HB ASN 60 2HB ASN 60 13.930 7.374 5.035 439 2HB ASN 60 1HB ASN 60 14.325 5.783 5.674 440 1HD2 ASN 60 1HD2 ASN 60 15.814 5.799 7.181 441 2HD2 ASN 60 2HD2 ASN 60 17.106 6.953 7.323 442 H ASP 61 H ASP 61 13.676 4.001 4.201 443 HA ASP 61 HA ASP 61 15.851 2.272 4.783 444 1HB ASP 61 2HB ASP 61 12.907 1.943 4.473 445 2HB ASP 61 1HB ASP 61 13.908 0.496 4.396 446 H TYR 62 H TYR 62 14.162 3.081 1.877 447 HA TYR 62 HA TYR 62 14.896 0.913 0.248 448 1HB TYR 62 2HB TYR 62 13.313 2.576 -0.545 449 2HB TYR 62 1HB TYR 62 14.528 3.846 -0.427 450 HD1 TYR 62 1HD TYR 62 13.503 0.850 -2.289 451 HD2 TYR 62 2HD TYR 62 16.145 4.173 -2.157 452 HE1 TYR 62 1HE TYR 62 14.169 0.394 -4.602 453 HE2 TYR 62 2HE TYR 62 16.832 3.734 -4.472 454 HH TYR 62 HH TYR 62 16.803 1.406 -5.993 455 H ILE 63 H ILE 63 16.618 3.852 1.186 456 HA ILE 63 HA ILE 63 18.880 3.341 -0.477 457 HB ILE 63 HB ILE 63 18.960 5.068 1.983 458 1HG1 ILE 63 2HG1 ILE 63 16.920 5.680 0.760 459 1HG2 ILE 63 1HG2 ILE 63 20.889 4.447 0.190 460 2HG2 ILE 63 2HG2 ILE 63 20.222 5.913 -0.532 461 3HG2 ILE 63 3HG2 ILE 63 20.842 5.946 1.119 462 1HD1 ILE 63 1HD1 ILE 63 18.488 5.205 -1.574 463 2HD1 ILE 63 2HD1 ILE 63 16.765 5.565 -1.437 464 3HD1 ILE 63 3HD1 ILE 63 17.933 6.878 -1.570 465 H ARG 64 H ARG 64 17.868 2.344 2.667 466 HA ARG 64 HA ARG 64 20.430 1.567 3.656 467 1HB ARG 64 2HB ARG 64 17.645 0.717 4.466 468 2HB ARG 64 1HB ARG 64 19.109 0.265 5.328 469 1HG ARG 64 2HG ARG 64 19.214 3.045 5.084 470 2HG ARG 64 1HG ARG 64 17.546 2.662 5.515 471 1HD ARG 64 2HD ARG 64 18.506 1.186 7.340 472 2HD ARG 64 1HD ARG 64 20.064 1.935 6.993 473 HE ARG 64 HE ARG 64 17.829 3.117 8.377 474 1HH1 ARG 64 2HH1 ARG 64 20.813 3.706 6.646 475 2HH1 ARG 64 1HH1 ARG 64 21.020 5.312 7.286 476 1HH2 ARG 64 2HH2 ARG 64 18.114 5.204 9.265 477 2HH2 ARG 64 1HH2 ARG 64 19.500 6.152 8.796 478 H LEU 65 H LEU 65 17.801 -0.092 1.983 479 HA LEU 65 HA LEU 65 19.284 -2.595 2.067 480 1HB LEU 65 2HB LEU 65 16.535 -2.005 0.976 481 2HB LEU 65 1HB LEU 65 17.239 -3.599 1.164 482 HG LEU 65 HG LEU 65 16.377 -1.700 3.335 483 1HD1 LEU 65 1HD1 LEU 65 14.814 -3.364 2.076 484 2HD1 LEU 65 2HD1 LEU 65 15.611 -4.575 3.082 485 3HD1 LEU 65 3HD1 LEU 65 14.740 -3.239 3.833 486 1HD2 LEU 65 1HD2 LEU 65 17.861 -4.301 3.667 487 2HD2 LEU 65 2HD2 LEU 65 18.560 -2.701 3.904 488 3HD2 LEU 65 3HD2 LEU 65 17.257 -3.258 4.955 489 H PHE 66 H PHE 66 17.819 -0.518 -0.430 490 HA PHE 66 HA PHE 66 19.206 -2.094 -2.470 491 1HB PHE 66 2HB PHE 66 16.892 -0.168 -2.558 492 2HB PHE 66 1HB PHE 66 17.717 -0.686 -4.027 493 HD1 PHE 66 1HD PHE 66 16.828 -2.466 -5.159 494 HD2 PHE 66 2HD PHE 66 16.218 -2.193 -0.954 495 HE1 PHE 66 1HE PHE 66 15.430 -4.491 -5.233 496 HE2 PHE 66 2HE PHE 66 14.834 -4.228 -1.021 497 HZ PHE 66 HZ PHE 66 14.443 -5.382 -3.162 498 H GLY 67 H GLY 67 18.839 1.235 -1.357 499 1HA GLY 67 1HA GLY 67 20.555 2.831 -1.339 500 2HA GLY 67 2HA GLY 67 21.471 1.831 -2.451 501 H ASN 68 H ASN 68 21.218 4.574 -2.699 502 HA ASN 68 HA ASN 68 20.361 4.798 -5.396 503 1HB ASN 68 2HB ASN 68 18.142 5.014 -4.362 504 2HB ASN 68 1HB ASN 68 18.741 6.296 -3.315 505 1HD2 ASN 68 1HD2 ASN 68 17.789 8.103 -3.956 506 2HD2 ASN 68 2HD2 ASN 68 17.688 8.659 -5.591 507 H SER 69 H SER 69 20.986 6.861 -6.309 508 HA SER 69 HA SER 69 23.366 7.868 -5.189 509 1HB SER 69 2HB SER 69 21.980 9.545 -7.180 510 2HB SER 69 1HB SER 69 23.615 8.885 -7.199 511 HG SER 69 HG SER 69 22.241 7.946 -8.807 512 H GLY 70 H GLY 70 20.218 9.536 -5.689 513 1HA GLY 70 1HA GLY 70 19.905 10.531 -3.168 514 2HA GLY 70 2HA GLY 70 20.997 11.678 -3.925 515 H ALA 71 H ALA 71 17.799 10.778 -3.439 516 HA ALA 71 HA ALA 71 16.794 12.490 -5.607 517 1HB ALA 71 1HB ALA 71 14.817 11.394 -5.472 518 2HB ALA 71 2HB ALA 71 15.811 10.140 -4.733 519 3HB ALA 71 3HB ALA 71 14.892 11.250 -3.717 520 H GLY 72 H GLY 72 14.585 13.632 -4.505 521 1HA GLY 72 1HA GLY 72 14.942 14.702 -1.912 522 2HA GLY 72 2HA GLY 72 15.566 15.833 -3.102 523 H GLY 73 H GLY 73 13.697 16.972 -1.810 524 1HA GLY 73 1HA GLY 73 11.812 18.225 -2.501 525 2HA GLY 73 2HA GLY 73 11.398 16.940 -3.623 526 H SER 74 H SER 74 9.715 18.306 -1.646 527 HA SER 74 HA SER 74 9.209 16.422 0.468 528 1HB SER 74 2HB SER 74 7.075 18.336 -0.218 529 2HB SER 74 1HB SER 74 7.865 18.033 1.330 530 HG SER 74 HG SER 74 8.282 20.137 0.397 531 H GLY 75 H GLY 75 9.139 14.702 -1.267 532 1HA GLY 75 1HA GLY 75 7.224 13.087 -1.652 533 2HA GLY 75 2HA GLY 75 6.439 14.460 -2.432 534 H GLY 76 H GLY 76 7.129 15.143 -4.438 535 1HA GLY 76 1HA GLY 76 9.381 14.803 -5.803 536 2HA GLY 76 2HA GLY 76 8.677 13.198 -5.951 537 H HIS 77 H HIS 77 8.734 16.369 -7.140 538 HA HIS 77 HA HIS 77 6.160 16.457 -8.349 539 1HB HIS 77 2HB HIS 77 7.543 18.464 -7.855 540 2HB HIS 77 1HB HIS 77 8.675 17.966 -9.106 541 HD1 HIS 77 1HD HIS 77 8.350 19.169 -11.216 542 HD2 HIS 77 2HD HIS 77 4.780 18.746 -9.122 543 HE1 HIS 77 1HE HIS 77 6.613 20.349 -12.596 544 HE2 HIS 77 2HE HIS 77 4.430 19.874 -11.427 545 H MET 78 H MET 78 6.002 14.403 -9.341 546 HA MET 78 HA MET 78 5.893 13.044 -11.157 547 1HB MET 78 2HB MET 78 5.691 14.870 -12.667 548 2HB MET 78 1HB MET 78 7.382 15.309 -12.479 549 1HG MET 78 2HG MET 78 7.436 12.694 -13.414 550 2HG MET 78 1HG MET 78 6.144 13.474 -14.325 551 1HE MET 78 1HE MET 78 9.034 12.192 -14.895 552 2HE MET 78 2HE MET 78 10.086 13.281 -15.800 553 3HE MET 78 3HE MET 78 10.167 13.237 -14.040 554 H GLY 79 H GLY 79 9.138 14.512 -11.177 555 1HA GLY 79 1HA GLY 79 10.229 11.797 -10.809 556 2HA GLY 79 2HA GLY 79 10.962 12.930 -11.937 557 H SER 80 H SER 80 11.023 11.755 -8.811 558 HA SER 80 HA SER 80 11.755 14.028 -7.338 559 1HB SER 80 2HB SER 80 13.000 11.542 -6.447 560 2HB SER 80 1HB SER 80 11.824 12.570 -5.626 561 HG SER 80 HG SER 80 11.026 10.450 -6.153 562 H GLY 81 H GLY 81 13.517 12.102 -9.607 563 1HA GLY 81 1HA GLY 81 16.146 12.862 -8.697 564 2HA GLY 81 2HA GLY 81 15.743 12.128 -10.246 565 H GLY 82 H GLY 82 13.671 14.284 -10.616 566 1HA GLY 82 1HA GLY 82 15.532 16.395 -11.501 567 2HA GLY 82 2HA GLY 82 13.978 16.051 -12.253 568 H ASP 83 H ASP 83 14.091 15.892 -8.845 569 HA ASP 83 HA ASP 83 12.719 18.495 -8.681 570 1HB ASP 83 2HB ASP 83 11.584 16.141 -8.100 571 2HB ASP 83 1HB ASP 83 12.341 16.462 -6.542 572 H VAL 84 H VAL 84 15.605 17.345 -8.243 573 HA VAL 84 HA VAL 84 16.064 18.707 -5.674 574 HB VAL 84 HB VAL 84 18.429 17.386 -6.642 575 1HG1 VAL 84 1HG1 VAL 84 17.278 16.187 -4.298 576 2HG1 VAL 84 2HG1 VAL 84 18.716 17.197 -4.452 577 3HG1 VAL 84 3HG1 VAL 84 17.134 17.943 -4.229 578 1HG2 VAL 84 1HG2 VAL 84 16.636 15.923 -7.721 579 2HG2 VAL 84 2HG2 VAL 84 17.829 15.119 -6.703 580 3HG2 VAL 84 3HG2 VAL 84 16.213 15.439 -6.079 581 H MET 85 H MET 85 18.535 19.585 -5.790 582 HA MET 85 HA MET 85 18.463 21.611 -7.847 583 1HB MET 85 2HB MET 85 20.329 21.065 -5.540 584 2HB MET 85 1HB MET 85 20.621 22.349 -6.707 585 1HG MET 85 2HG MET 85 19.474 23.614 -5.267 586 2HG MET 85 1HG MET 85 18.057 22.869 -6.002 587 1HE MET 85 1HE MET 85 19.463 23.357 -2.133 588 2HE MET 85 2HE MET 85 20.230 21.772 -2.230 589 3HE MET 85 3HE MET 85 20.601 23.006 -3.434 590 H VAL 86 H VAL 86 18.602 19.645 -9.385 591 HA VAL 86 HA VAL 86 21.395 18.895 -9.860 592 HB VAL 86 HB VAL 86 19.995 16.971 -9.671 593 1HG1 VAL 86 1HG1 VAL 86 18.007 16.567 -10.953 594 2HG1 VAL 86 2HG1 VAL 86 17.845 18.107 -10.106 595 3HG1 VAL 86 3HG1 VAL 86 18.216 18.081 -11.831 596 1HG2 VAL 86 1HG2 VAL 86 19.971 16.500 -12.423 597 2HG2 VAL 86 2HG2 VAL 86 21.304 17.621 -12.152 598 3HG2 VAL 86 3HG2 VAL 86 21.246 16.090 -11.278 599 H VAL 87 H VAL 87 22.413 20.209 -11.202 600 HA VAL 87 HA VAL 87 20.938 21.254 -13.535 601 HB VAL 87 HB VAL 87 23.507 22.462 -12.557 602 1HG1 VAL 87 1HG1 VAL 87 22.071 24.507 -13.452 603 2HG1 VAL 87 2HG1 VAL 87 23.005 23.472 -14.534 604 3HG1 VAL 87 3HG1 VAL 87 21.269 23.219 -14.351 605 1HG2 VAL 87 1HG2 VAL 87 20.997 22.452 -11.112 606 2HG2 VAL 87 2HG2 VAL 87 22.578 23.061 -10.623 607 3HG2 VAL 87 3HG2 VAL 87 21.489 24.086 -11.555 608 H GLY 88 H GLY 88 23.955 19.876 -12.381 609 1HA GLY 88 1HA GLY 88 24.371 18.643 -14.978 610 2HA GLY 88 2HA GLY 88 25.632 19.751 -14.448 611 H GLU 89 H GLU 89 25.743 16.871 -14.923 612 HA GLU 89 HA GLU 89 26.613 14.980 -14.035 613 1HB GLU 89 2HB GLU 89 27.623 16.754 -11.809 614 2HB GLU 89 1HB GLU 89 28.261 15.186 -12.281 615 1HG GLU 89 2HG GLU 89 29.354 16.017 -14.099 616 2HG GLU 89 1HG GLU 89 28.212 17.342 -14.318 617 HA PRO 90 HA PRO 90 23.215 14.541 -10.938 618 1HB PRO 90 2HB PRO 90 21.739 12.731 -12.265 619 2HB PRO 90 1HB PRO 90 21.633 14.458 -12.623 620 1HG PRO 90 2HG PRO 90 23.056 12.298 -14.107 621 2HG PRO 90 1HG PRO 90 22.167 13.697 -14.734 622 1HD PRO 90 2HD PRO 90 24.927 13.537 -14.490 623 2HD PRO 90 1HD PRO 90 23.999 15.042 -14.623 624 H THR 91 H THR 91 25.736 13.439 -10.685 625 HA THR 91 HA THR 91 25.735 10.597 -10.727 626 HB THR 91 HB THR 91 27.614 11.901 -8.884 627 HG1 THR 91 1HG THR 91 28.102 13.512 -10.163 628 1HG2 THR 91 1HG2 THR 91 29.222 10.582 -10.067 629 2HG2 THR 91 2HG2 THR 91 28.102 10.314 -11.401 630 3HG2 THR 91 3HG2 THR 91 27.791 9.581 -9.828 631 H LEU 92 H LEU 92 25.288 13.021 -8.184 632 HA LEU 92 HA LEU 92 24.088 10.917 -6.512 633 1HB LEU 92 2HB LEU 92 25.901 13.154 -5.603 634 2HB LEU 92 1HB LEU 92 24.940 12.171 -4.513 635 HG LEU 92 HG LEU 92 26.596 10.556 -6.279 636 1HD1 LEU 92 1HD1 LEU 92 28.121 12.153 -4.257 637 2HD1 LEU 92 2HD1 LEU 92 28.724 11.182 -5.603 638 3HD1 LEU 92 3HD1 LEU 92 27.937 12.731 -5.914 639 1HD2 LEU 92 1HD2 LEU 92 27.319 9.714 -3.969 640 2HD2 LEU 92 2HD2 LEU 92 26.077 10.795 -3.335 641 3HD2 LEU 92 3HD2 LEU 92 25.633 9.492 -4.438 642 H MET 93 H MET 93 24.413 14.428 -6.959 643 HA MET 93 HA MET 93 21.826 14.927 -5.769 644 1HB MET 93 2HB MET 93 24.124 16.493 -6.507 645 2HB MET 93 1HB MET 93 22.675 17.201 -7.210 646 1HG MET 93 2HG MET 93 22.549 16.394 -4.367 647 2HG MET 93 1HG MET 93 23.530 17.801 -4.772 648 1HE MET 93 1HE MET 93 21.878 18.655 -2.912 649 2HE MET 93 2HE MET 93 22.157 20.037 -3.969 650 3HE MET 93 3HE MET 93 20.525 19.668 -3.416 651 H GLY 94 H GLY 94 20.131 14.207 -6.895 652 1HA GLY 94 1HA GLY 94 18.526 14.548 -8.620 653 2HA GLY 94 2HA GLY 94 19.812 15.154 -9.658 654 H GLY 95 H GLY 95 20.653 12.376 -7.920 655 1HA GLY 95 1HA GLY 95 20.351 10.766 -10.364 656 2HA GLY 95 2HA GLY 95 21.501 10.452 -9.068 657 H GLU 96 H GLU 96 18.450 9.727 -10.332 658 HA GLU 96 HA GLU 96 17.589 8.477 -7.826 659 1HB GLU 96 2HB GLU 96 15.497 8.035 -9.450 660 2HB GLU 96 1HB GLU 96 15.681 9.502 -8.501 661 1HG GLU 96 2HG GLU 96 15.154 10.349 -10.555 662 2HG GLU 96 1HG GLU 96 16.915 10.388 -10.606 663 H PHE 97 H PHE 97 16.384 6.340 -8.221 664 HA PHE 97 HA PHE 97 17.989 4.672 -10.053 665 1HB PHE 97 2HB PHE 97 17.461 4.421 -7.221 666 2HB PHE 97 1HB PHE 97 16.846 3.015 -8.084 667 HD1 PHE 97 1HD PHE 97 19.453 3.927 -6.215 668 HD2 PHE 97 2HD PHE 97 18.714 2.489 -10.154 669 HE1 PHE 97 1HE PHE 97 21.732 3.000 -6.306 670 HE2 PHE 97 2HE PHE 97 20.990 1.560 -10.247 671 HZ PHE 97 HZ PHE 97 22.501 1.811 -8.320 672 H GLY 98 H GLY 98 15.669 6.051 -10.815 673 1HA GLY 98 1HA GLY 98 13.972 5.197 -12.312 674 2HA GLY 98 2HA GLY 98 13.805 3.808 -11.243 675 H ASP 99 H ASP 99 13.573 7.363 -11.142 676 HA ASP 99 HA ASP 99 11.861 7.285 -8.863 677 1HB ASP 99 2HB ASP 99 11.708 9.695 -9.060 678 2HB ASP 99 1HB ASP 99 13.373 9.174 -9.255 679 H GLU 100 H GLU 100 11.167 6.385 -11.878 680 HA GLU 100 HA GLU 100 8.516 7.522 -12.122 681 1HB GLU 100 2HB GLU 100 9.767 5.142 -13.512 682 2HB GLU 100 1HB GLU 100 8.228 5.879 -13.935 683 1HG GLU 100 2HG GLU 100 9.419 7.026 -15.419 684 2HG GLU 100 1HG GLU 100 9.892 8.018 -14.038 685 H ASP 101 H ASP 101 10.074 5.004 -10.452 686 HA ASP 101 HA ASP 101 7.747 3.358 -9.995 687 1HB ASP 101 2HB ASP 101 10.047 2.424 -9.980 688 2HB ASP 101 1HB ASP 101 10.418 3.400 -8.564 689 H GLU 102 H GLU 102 8.776 6.319 -8.922 690 HA GLU 102 HA GLU 102 7.862 6.159 -6.199 691 1HB GLU 102 2HB GLU 102 8.817 8.355 -7.999 692 2HB GLU 102 1HB GLU 102 7.985 8.755 -6.501 693 1HG GLU 102 2HG GLU 102 9.887 6.841 -5.808 694 2HG GLU 102 1HG GLU 102 10.701 7.935 -6.925 695 H ARG 103 H ARG 103 6.382 8.479 -5.927 696 HA ARG 103 HA ARG 103 4.224 9.169 -5.838 697 1HB ARG 103 2HB ARG 103 4.901 9.203 -8.523 698 2HB ARG 103 1HB ARG 103 3.391 8.302 -8.497 699 1HG ARG 103 2HG ARG 103 2.911 10.451 -6.825 700 2HG ARG 103 1HG ARG 103 3.868 11.130 -8.143 701 1HD ARG 103 2HD ARG 103 2.306 10.447 -9.767 702 2HD ARG 103 1HD ARG 103 1.490 9.361 -8.642 703 HE ARG 103 HE ARG 103 0.367 11.168 -7.724 704 1HH1 ARG 103 2HH1 ARG 103 2.730 12.253 -10.077 705 2HH1 ARG 103 1HH1 ARG 103 2.094 13.873 -10.149 706 1HH2 ARG 103 2HH2 ARG 103 -0.468 13.294 -7.824 707 2HH2 ARG 103 1HH2 ARG 103 0.270 14.459 -8.886 708 H LEU 104 H LEU 104 4.971 6.463 -5.188 709 HA LEU 104 HA LEU 104 2.863 4.728 -6.047 710 1HB LEU 104 2HB LEU 104 5.294 4.138 -5.509 711 2HB LEU 104 1HB LEU 104 4.816 4.214 -3.823 712 HG LEU 104 HG LEU 104 3.025 2.487 -4.438 713 1HD1 LEU 104 1HD1 LEU 104 3.434 2.895 -6.927 714 2HD1 LEU 104 2HD1 LEU 104 4.868 1.888 -6.725 715 3HD1 LEU 104 3HD1 LEU 104 3.269 1.225 -6.387 716 1HD2 LEU 104 1HD2 LEU 104 5.973 1.974 -4.320 717 2HD2 LEU 104 2HD2 LEU 104 4.757 1.759 -3.061 718 3HD2 LEU 104 3HD2 LEU 104 4.818 0.645 -4.427 719 H ILE 105 H ILE 105 3.030 7.101 -3.719 720 HA ILE 105 HA ILE 105 1.058 5.722 -2.028 721 HB ILE 105 HB ILE 105 3.159 7.751 -1.349 722 1HG1 ILE 105 2HG1 ILE 105 2.253 5.136 -0.128 723 1HG2 ILE 105 1HG2 ILE 105 1.938 8.784 0.196 724 2HG2 ILE 105 2HG2 ILE 105 0.514 7.932 -0.406 725 3HG2 ILE 105 3HG2 ILE 105 1.466 7.239 0.908 726 1HD1 ILE 105 1HD1 ILE 105 4.339 7.083 0.746 727 2HD1 ILE 105 2HD1 ILE 105 3.131 6.225 1.705 728 3HD1 ILE 105 3HD1 ILE 105 4.518 5.354 1.050 729 H THR 106 H THR 106 -0.897 6.300 -2.558 730 HA THR 106 HA THR 106 -1.443 9.107 -3.262 731 HB THR 106 HB THR 106 -3.208 6.700 -3.756 732 HG1 THR 106 1HG THR 106 -1.817 6.257 -5.298 733 1HG2 THR 106 1HG2 THR 106 -3.257 9.526 -4.806 734 2HG2 THR 106 2HG2 THR 106 -4.464 8.740 -3.786 735 3HG2 THR 106 3HG2 THR 106 -4.240 8.212 -5.454 736 H ARG 107 H ARG 107 -2.306 10.265 -1.647 737 HA ARG 107 HA ARG 107 -3.604 8.782 0.537 738 1HB ARG 107 2HB ARG 107 -1.605 9.858 1.279 739 2HB ARG 107 1HB ARG 107 -2.060 11.372 0.511 740 1HG ARG 107 2HG ARG 107 -2.647 11.917 2.615 741 2HG ARG 107 1HG ARG 107 -4.140 11.090 2.170 742 1HD ARG 107 2HD ARG 107 -3.794 9.469 3.661 743 2HD ARG 107 1HD ARG 107 -2.127 9.245 3.135 744 HE ARG 107 HE ARG 107 -1.580 11.175 4.608 745 1HH1 ARG 107 2HH1 ARG 107 -4.461 9.272 5.205 746 2HH1 ARG 107 1HH1 ARG 107 -4.524 9.647 6.901 747 1HH2 ARG 107 2HH2 ARG 107 -1.667 11.693 6.840 748 2HH2 ARG 107 1HH2 ARG 107 -2.935 11.021 7.829 749 H LEU 108 H LEU 108 -5.685 9.023 0.835 750 HA LEU 108 HA LEU 108 -6.997 11.462 -0.148 751 1HB LEU 108 2HB LEU 108 -7.728 8.979 -0.768 752 2HB LEU 108 1HB LEU 108 -8.565 9.101 0.766 753 HG LEU 108 HG LEU 108 -9.761 9.729 -1.500 754 1HD1 LEU 108 1HD1 LEU 108 -9.985 11.148 1.134 755 2HD1 LEU 108 2HD1 LEU 108 -11.117 11.429 -0.190 756 3HD1 LEU 108 3HD1 LEU 108 -10.963 9.819 0.512 757 1HD2 LEU 108 1HD2 LEU 108 -9.042 12.507 -0.830 758 2HD2 LEU 108 2HD2 LEU 108 -7.797 11.571 -1.657 759 3HD2 LEU 108 3HD2 LEU 108 -9.389 11.766 -2.394 760 H GLU 109 H GLU 109 -7.086 12.916 1.417 761 HA GLU 109 HA GLU 109 -7.831 12.025 4.122 762 1HB GLU 109 2HB GLU 109 -5.424 13.277 3.288 763 2HB GLU 109 1HB GLU 109 -6.336 14.455 4.223 764 1HG GLU 109 2HG GLU 109 -6.144 11.747 5.367 765 2HG GLU 109 1HG GLU 109 -4.655 12.693 5.316 766 H ASN 110 H ASN 110 -9.475 13.072 5.032 767 HA ASN 110 HA ASN 110 -11.098 14.834 3.558 768 1HB ASN 110 2HB ASN 110 -11.499 13.260 5.711 769 2HB ASN 110 1HB ASN 110 -11.369 14.825 6.506 770 1HD2 ASN 110 1HD2 ASN 110 -13.366 15.321 7.041 771 2HD2 ASN 110 2HD2 ASN 110 -14.726 15.342 5.964 772 H THR 111 H THR 111 -8.560 15.399 5.915 773 HA THR 111 HA THR 111 -9.244 18.226 6.094 774 HB THR 111 HB THR 111 -6.778 17.547 7.427 775 HG1 THR 111 1HG THR 111 -7.615 15.431 7.508 776 1HG2 THR 111 1HG2 THR 111 -8.087 18.298 9.409 777 2HG2 THR 111 2HG2 THR 111 -9.514 18.395 8.377 778 3HG2 THR 111 3HG2 THR 111 -8.125 19.437 8.063 779 H GLN 112 H GLN 112 -7.571 16.386 3.962 780 HA GLN 112 HA GLN 112 -5.570 18.486 3.452 781 1HB GLN 112 2HB GLN 112 -4.658 16.221 3.907 782 2HB GLN 112 1HB GLN 112 -5.526 15.618 2.502 783 1HG GLN 112 2HG GLN 112 -4.232 17.088 1.057 784 2HG GLN 112 1HG GLN 112 -3.372 17.721 2.459 785 1HE2 GLN 112 1HE2 GLN 112 -3.034 15.746 -0.061 786 2HE2 GLN 112 2HE2 GLN 112 -1.904 14.592 0.584 787 H PHE 113 H PHE 113 -7.762 16.229 1.779 788 HA PHE 113 HA PHE 113 -7.503 17.756 -0.672 789 1HB PHE 113 2HB PHE 113 -7.724 15.170 -0.426 790 2HB PHE 113 1HB PHE 113 -9.446 15.502 -0.290 791 HD1 PHE 113 1HD PHE 113 -6.535 15.592 -2.499 792 HD2 PHE 113 2HD PHE 113 -10.723 16.264 -2.177 793 HE1 PHE 113 1HE PHE 113 -6.704 15.687 -4.950 794 HE2 PHE 113 2HE PHE 113 -10.901 16.361 -4.628 795 HZ PHE 113 HZ PHE 113 -8.889 16.073 -6.018 796 H ASP 114 H ASP 114 -10.439 16.521 0.929 797 HA ASP 114 HA ASP 114 -11.593 19.157 1.100 798 1HB ASP 114 2HB ASP 114 -12.000 18.536 -1.278 799 2HB ASP 114 1HB ASP 114 -12.857 17.098 -0.730 800 H ALA 115 H ALA 115 -13.197 19.232 2.625 801 HA ALA 115 HA ALA 115 -13.493 16.865 4.254 802 1HB ALA 115 1HB ALA 115 -15.114 18.742 5.397 803 2HB ALA 115 2HB ALA 115 -13.401 18.526 5.752 804 3HB ALA 115 3HB ALA 115 -13.911 19.741 4.582 805 H ALA 116 H ALA 116 -14.614 15.683 2.534 806 HA ALA 116 HA ALA 116 -17.377 16.491 2.055 807 1HB ALA 116 1HB ALA 116 -16.943 14.065 0.768 808 2HB ALA 116 2HB ALA 116 -16.895 15.670 0.041 809 3HB ALA 116 3HB ALA 116 -15.410 14.925 0.629 810 H ASN 117 H ASN 117 -19.146 15.154 2.528 811 HA ASN 117 HA ASN 117 -18.613 13.192 4.663 812 1HB ASN 117 2HB ASN 117 -19.982 14.826 5.628 813 2HB ASN 117 1HB ASN 117 -20.916 15.056 4.154 814 1HD2 ASN 117 1HD2 ASN 117 -22.911 14.423 4.406 815 2HD2 ASN 117 2HD2 ASN 117 -23.446 13.026 5.291 816 H GLY 118 H GLY 118 -18.879 11.143 4.145 817 1HA GLY 118 1HA GLY 118 -19.944 9.270 3.191 818 2HA GLY 118 2HA GLY 118 -20.927 10.351 2.211 819 H ILE 119 H ILE 119 -20.433 10.473 0.129 820 HA ILE 119 HA ILE 119 -17.736 10.605 -0.774 821 HB ILE 119 HB ILE 119 -17.752 8.217 -0.553 822 1HG1 ILE 119 2HG1 ILE 119 -17.696 7.587 -3.103 823 1HG2 ILE 119 1HG2 ILE 119 -19.412 6.871 -1.947 824 2HG2 ILE 119 2HG2 ILE 119 -19.999 7.599 -0.453 825 3HG2 ILE 119 3HG2 ILE 119 -20.371 8.351 -2.004 826 1HD1 ILE 119 1HD1 ILE 119 -15.862 9.833 -2.427 827 2HD1 ILE 119 2HD1 ILE 119 -15.753 8.305 -1.549 828 3HD1 ILE 119 3HD1 ILE 119 -15.536 8.335 -3.300 829 H ASP 120 H ASP 120 -17.745 11.994 -2.384 830 HA ASP 120 HA ASP 120 -20.233 12.383 -3.909 831 1HB ASP 120 2HB ASP 120 -19.395 14.381 -2.767 832 2HB ASP 120 1HB ASP 120 -17.836 14.206 -3.563 833 H ASP 121 H ASP 121 -16.885 13.133 -4.791 834 HA ASP 121 HA ASP 121 -16.586 11.013 -6.638 835 1HB ASP 121 2HB ASP 121 -18.263 12.308 -7.918 836 2HB ASP 121 1HB ASP 121 -17.193 13.706 -7.880 837 H GLU 122 H GLU 122 -14.485 10.692 -6.549 838 HA GLU 122 HA GLU 122 -12.710 13.041 -6.432 839 1HB GLU 122 2HB GLU 122 -12.524 10.377 -5.040 840 2HB GLU 122 1HB GLU 122 -11.113 11.398 -5.269 841 1HG GLU 122 2HG GLU 122 -11.700 12.781 -3.625 842 2HG GLU 122 1HG GLU 122 -13.391 12.809 -4.125 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -7.810 -10.747 -5.829 2 2H GLY 1 2H GLY 1 -8.734 -9.736 -4.829 3 3H GLY 1 3H GLY 1 -7.077 -9.929 -4.535 4 1HA GLY 1 2HA GLY 1 -6.494 -8.789 -6.525 5 2HA GLY 1 1HA GLY 1 -8.184 -8.734 -7.012 6 H SER 2 H SER 2 -7.155 -6.371 -7.089 7 HA SER 2 HA SER 2 -8.016 -5.068 -4.592 8 1HB SER 2 2HB SER 2 -5.678 -4.151 -6.278 9 2HB SER 2 1HB SER 2 -6.210 -3.474 -4.739 10 HG SER 2 HG SER 2 -5.710 -5.516 -3.782 11 H LEU 3 H LEU 3 -9.425 -5.569 -7.122 12 HA LEU 3 HA LEU 3 -9.887 -2.766 -7.921 13 1HB LEU 3 2HB LEU 3 -9.881 -5.301 -9.482 14 2HB LEU 3 1HB LEU 3 -11.035 -4.063 -9.939 15 HG LEU 3 HG LEU 3 -8.204 -3.228 -9.611 16 1HD1 LEU 3 1HD1 LEU 3 -8.429 -3.987 -12.282 17 2HD1 LEU 3 2HD1 LEU 3 -7.392 -4.704 -11.051 18 3HD1 LEU 3 3HD1 LEU 3 -8.993 -5.375 -11.354 19 1HD2 LEU 3 1HD2 LEU 3 -10.079 -1.682 -10.198 20 2HD2 LEU 3 2HD2 LEU 3 -8.752 -1.704 -11.361 21 3HD2 LEU 3 3HD2 LEU 3 -10.249 -2.564 -11.717 22 H SER 4 H SER 4 -11.074 -3.264 -5.721 23 HA SER 4 HA SER 4 -13.892 -3.704 -6.384 24 1HB SER 4 2HB SER 4 -13.798 -4.944 -3.984 25 2HB SER 4 1HB SER 4 -13.653 -5.807 -5.515 26 HG SER 4 HG SER 4 -11.348 -4.746 -4.290 27 H TRP 5 H TRP 5 -14.608 -3.681 -3.556 28 HA TRP 5 HA TRP 5 -14.534 -0.814 -3.271 29 1HB TRP 5 2HB TRP 5 -16.471 -2.603 -2.783 30 2HB TRP 5 1HB TRP 5 -15.772 -2.460 -1.169 31 HD1 TRP 5 HD TRP 5 -17.191 -0.184 -3.928 32 HE1 TRP 5 1HE TRP 5 -18.262 1.877 -2.776 33 HE3 TRP 5 3HE TRP 5 -15.882 -1.205 0.880 34 HZ2 TRP 5 2HZ TRP 5 -18.493 2.917 -0.139 35 HZ3 TRP 5 3HZ TRP 5 -16.531 0.345 2.661 36 HH2 TRP 5 HH TRP 5 -17.815 2.373 2.165 37 H LYS 6 H LYS 6 -12.742 -0.027 -2.499 38 HA LYS 6 HA LYS 6 -10.930 0.346 -1.176 39 1HB LYS 6 2HB LYS 6 -13.300 0.172 0.459 40 2HB LYS 6 1HB LYS 6 -11.855 -0.231 1.379 41 1HG LYS 6 2HG LYS 6 -12.287 2.118 1.584 42 2HG LYS 6 1HG LYS 6 -10.828 1.889 0.614 43 1HD LYS 6 2HD LYS 6 -12.343 2.083 -1.424 44 2HD LYS 6 1HD LYS 6 -13.588 2.662 -0.314 45 1HE LYS 6 2HE LYS 6 -11.774 4.336 0.462 46 2HE LYS 6 1HE LYS 6 -10.972 3.925 -1.054 47 1HZ LYS 6 1HZ LYS 6 -12.813 5.858 -0.769 48 2HZ LYS 6 2HZ LYS 6 -13.776 4.572 -1.321 49 3HZ LYS 6 3HZ LYS 6 -12.446 5.087 -2.236 50 H ARG 7 H ARG 7 -11.784 -1.720 1.322 51 HA ARG 7 HA ARG 7 -10.956 -3.638 2.192 52 1HB ARG 7 2HB ARG 7 -11.788 -4.522 -0.036 53 2HB ARG 7 1HB ARG 7 -10.133 -4.398 -0.613 54 1HG ARG 7 2HG ARG 7 -10.377 -5.838 1.912 55 2HG ARG 7 1HG ARG 7 -11.250 -6.592 0.577 56 1HD ARG 7 2HD ARG 7 -9.315 -7.473 -0.071 57 2HD ARG 7 1HD ARG 7 -8.803 -5.845 -0.513 58 HE ARG 7 HE ARG 7 -7.959 -5.702 1.857 59 1HH1 ARG 7 2HH1 ARG 7 -8.132 -8.722 0.088 60 2HH1 ARG 7 1HH1 ARG 7 -6.922 -9.512 1.064 61 1HH2 ARG 7 2HH2 ARG 7 -6.379 -6.716 3.125 62 2HH2 ARG 7 1HH2 ARG 7 -5.937 -8.373 2.809 63 H CYS 8 H CYS 8 -9.341 -2.744 3.385 64 HA CYS 8 HA CYS 8 -6.853 -1.883 2.417 65 1HB CYS 8 2HB CYS 8 -7.627 -1.169 4.574 66 2HB CYS 8 1HB CYS 8 -7.753 -2.830 5.136 67 H ALA 9 H ALA 9 -5.077 -2.941 1.862 68 HA ALA 9 HA ALA 9 -5.056 -5.849 1.991 69 1HB ALA 9 1HB ALA 9 -3.744 -5.758 0.179 70 2HB ALA 9 2HB ALA 9 -4.176 -4.049 0.114 71 3HB ALA 9 3HB ALA 9 -2.678 -4.551 0.900 72 H GLY 10 H GLY 10 -4.257 -3.449 4.052 73 1HA GLY 10 1HA GLY 10 -1.729 -4.546 4.989 74 2HA GLY 10 2HA GLY 10 -2.573 -3.154 5.649 75 H CYS 11 H CYS 11 -4.973 -4.027 6.377 76 HA CYS 11 HA CYS 11 -4.337 -6.135 8.322 77 1HB CYS 11 2HB CYS 11 -6.216 -5.234 9.673 78 2HB CYS 11 1HB CYS 11 -4.925 -4.069 9.421 79 H GLY 12 H GLY 12 -6.866 -4.996 6.131 80 1HA GLY 12 1HA GLY 12 -7.897 -6.638 4.654 81 2HA GLY 12 2HA GLY 12 -7.824 -7.784 5.987 82 H GLY 13 H GLY 13 -9.717 -5.477 4.387 83 1HA GLY 13 1HA GLY 13 -12.113 -6.004 5.400 84 2HA GLY 13 2HA GLY 13 -11.438 -4.941 6.628 85 H LYS 14 H LYS 14 -13.677 -4.575 4.833 86 HA LYS 14 HA LYS 14 -13.034 -2.655 2.840 87 1HB LYS 14 2HB LYS 14 -15.502 -3.674 4.110 88 2HB LYS 14 1HB LYS 14 -15.598 -2.053 3.435 89 1HG LYS 14 2HG LYS 14 -14.758 -2.952 1.283 90 2HG LYS 14 1HG LYS 14 -14.825 -4.571 1.979 91 1HD LYS 14 2HD LYS 14 -17.319 -3.216 2.401 92 2HD LYS 14 1HD LYS 14 -16.887 -3.165 0.691 93 1HE LYS 14 2HE LYS 14 -16.293 -5.733 1.266 94 2HE LYS 14 1HE LYS 14 -17.614 -5.452 2.399 95 1HZ LYS 14 1HZ LYS 14 -17.814 -6.037 -0.292 96 2HZ LYS 14 2HZ LYS 14 -18.269 -4.408 -0.150 97 3HZ LYS 14 3HZ LYS 14 -19.070 -5.592 0.757 98 H ILE 15 H ILE 15 -11.791 -1.058 3.544 99 HA ILE 15 HA ILE 15 -11.624 0.100 5.972 100 HB ILE 15 HB ILE 15 -11.272 1.821 3.542 101 1HG1 ILE 15 2HG1 ILE 15 -9.466 -0.449 4.411 102 1HG2 ILE 15 1HG2 ILE 15 -10.672 2.155 6.208 103 2HG2 ILE 15 2HG2 ILE 15 -9.131 1.671 5.498 104 3HG2 ILE 15 3HG2 ILE 15 -9.991 3.073 4.865 105 1HD1 ILE 15 1HD1 ILE 15 -8.798 1.918 3.009 106 2HD1 ILE 15 2HD1 ILE 15 -7.791 0.510 3.344 107 3HD1 ILE 15 3HD1 ILE 15 -8.764 0.571 1.872 108 H ALA 16 H ALA 16 -13.093 1.970 3.324 109 HA ALA 16 HA ALA 16 -14.755 3.510 3.252 110 1HB ALA 16 1HB ALA 16 -15.799 1.721 5.425 111 2HB ALA 16 2HB ALA 16 -16.698 3.124 4.851 112 3HB ALA 16 3HB ALA 16 -16.299 1.816 3.738 113 H ASP 17 H ASP 17 -12.403 3.768 5.181 114 HA ASP 17 HA ASP 17 -13.430 5.559 7.218 115 1HB ASP 17 2HB ASP 17 -10.783 4.361 6.560 116 2HB ASP 17 1HB ASP 17 -10.792 5.878 7.450 117 H ARG 18 H ARG 18 -12.511 7.745 7.444 118 HA ARG 18 HA ARG 18 -12.523 9.149 4.880 119 1HB ARG 18 2HB ARG 18 -13.807 10.063 6.768 120 2HB ARG 18 1HB ARG 18 -12.344 10.154 7.736 121 1HG ARG 18 2HG ARG 18 -12.360 12.295 7.076 122 2HG ARG 18 1HG ARG 18 -11.594 11.647 5.628 123 1HD ARG 18 2HD ARG 18 -14.412 12.549 6.046 124 2HD ARG 18 1HD ARG 18 -13.278 12.976 4.768 125 HE ARG 18 HE ARG 18 -14.678 10.386 4.970 126 1HH1 ARG 18 2HH1 ARG 18 -13.196 12.946 3.073 127 2HH1 ARG 18 1HH1 ARG 18 -13.590 12.214 1.546 128 1HH2 ARG 18 2HH2 ARG 18 -15.206 9.431 2.964 129 2HH2 ARG 18 1HH2 ARG 18 -14.794 10.249 1.481 130 H PHE 19 H PHE 19 -10.230 7.436 6.267 131 HA PHE 19 HA PHE 19 -8.189 8.999 4.984 132 1HB PHE 19 2HB PHE 19 -8.205 8.606 7.961 133 2HB PHE 19 1HB PHE 19 -6.672 8.721 7.093 134 HD1 PHE 19 1HD PHE 19 -8.257 10.598 9.183 135 HD2 PHE 19 2HD PHE 19 -7.424 10.718 5.005 136 HE1 PHE 19 1HE PHE 19 -8.495 13.047 9.201 137 HE2 PHE 19 2HE PHE 19 -7.647 13.160 5.030 138 HZ PHE 19 HZ PHE 19 -8.197 14.323 7.116 139 H LEU 20 H LEU 20 -7.328 7.535 3.687 140 HA LEU 20 HA LEU 20 -6.132 5.168 4.798 141 1HB LEU 20 2HB LEU 20 -7.298 3.529 3.607 142 2HB LEU 20 1HB LEU 20 -8.549 4.559 4.272 143 HG LEU 20 HG LEU 20 -8.255 5.719 1.856 144 1HD1 LEU 20 1HD1 LEU 20 -8.295 3.140 0.678 145 2HD1 LEU 20 2HD1 LEU 20 -7.176 4.473 0.379 146 3HD1 LEU 20 3HD1 LEU 20 -6.818 3.283 1.631 147 1HD2 LEU 20 1HD2 LEU 20 -10.077 3.912 3.131 148 2HD2 LEU 20 2HD2 LEU 20 -10.404 5.207 1.976 149 3HD2 LEU 20 3HD2 LEU 20 -10.003 3.590 1.396 150 H LEU 21 H LEU 21 -4.531 4.350 3.475 151 HA LEU 21 HA LEU 21 -3.690 6.159 1.363 152 1HB LEU 21 2HB LEU 21 -2.304 5.010 3.383 153 2HB LEU 21 1HB LEU 21 -2.023 3.838 2.112 154 HG LEU 21 HG LEU 21 -1.593 6.590 1.241 155 1HD1 LEU 21 1HD1 LEU 21 -0.305 5.583 3.696 156 2HD1 LEU 21 2HD1 LEU 21 0.750 6.335 2.499 157 3HD1 LEU 21 3HD1 LEU 21 -0.612 7.238 3.166 158 1HD2 LEU 21 1HD2 LEU 21 -0.635 3.915 0.766 159 2HD2 LEU 21 2HD2 LEU 21 -0.532 5.346 -0.260 160 3HD2 LEU 21 3HD2 LEU 21 0.704 5.045 0.960 161 H TYR 22 H TYR 22 -3.339 5.534 -0.739 162 HA TYR 22 HA TYR 22 -4.087 2.752 -1.394 163 1HB TYR 22 2HB TYR 22 -4.197 4.916 -3.476 164 2HB TYR 22 1HB TYR 22 -4.989 3.355 -3.463 165 HD1 TYR 22 1HD TYR 22 -5.062 6.590 -1.540 166 HD2 TYR 22 2HD TYR 22 -7.245 3.273 -3.070 167 HE1 TYR 22 1HE TYR 22 -7.167 7.627 -0.790 168 HE2 TYR 22 2HE TYR 22 -9.343 4.305 -2.339 169 HH TYR 22 HH TYR 22 -9.377 7.440 -0.684 170 H ALA 23 H ALA 23 -2.476 1.559 -2.253 171 HA ALA 23 HA ALA 23 -0.267 2.870 -3.634 172 1HB ALA 23 1HB ALA 23 0.773 3.043 -1.608 173 2HB ALA 23 2HB ALA 23 -0.050 1.634 -0.937 174 3HB ALA 23 3HB ALA 23 1.286 1.419 -2.070 175 H MET 24 H MET 24 0.604 1.635 -5.178 176 HA MET 24 HA MET 24 0.943 -0.093 -6.608 177 1HB MET 24 2HB MET 24 0.927 -1.387 -3.975 178 2HB MET 24 1HB MET 24 0.503 -2.465 -5.297 179 1HG MET 24 2HG MET 24 2.854 -0.762 -5.756 180 2HG MET 24 1HG MET 24 3.022 -1.977 -4.487 181 1HE MET 24 1HE MET 24 1.427 -4.307 -5.184 182 2HE MET 24 2HE MET 24 2.258 -5.284 -6.393 183 3HE MET 24 3HE MET 24 3.145 -4.662 -5.002 184 H ASP 25 H ASP 25 -1.624 1.094 -6.259 185 HA ASP 25 HA ASP 25 -3.757 0.933 -6.944 186 1HB ASP 25 2HB ASP 25 -2.368 -1.080 -8.549 187 2HB ASP 25 1HB ASP 25 -4.092 -1.398 -8.364 188 H SER 26 H SER 26 -2.657 -0.650 -4.552 189 HA SER 26 HA SER 26 -5.160 -2.115 -4.040 190 1HB SER 26 2HB SER 26 -2.834 -2.495 -2.219 191 2HB SER 26 1HB SER 26 -4.059 -3.652 -2.733 192 HG SER 26 HG SER 26 -2.511 -2.835 -4.810 193 H TYR 27 H TYR 27 -6.130 -1.713 -1.960 194 HA TYR 27 HA TYR 27 -5.506 1.010 -1.058 195 1HB TYR 27 2HB TYR 27 -8.040 -0.593 -0.653 196 2HB TYR 27 1HB TYR 27 -7.802 1.103 -0.246 197 HD1 TYR 27 1HD TYR 27 -10.057 0.320 -1.929 198 HD2 TYR 27 2HD TYR 27 -6.052 1.213 -3.049 199 HE1 TYR 27 1HE TYR 27 -10.829 0.950 -4.173 200 HE2 TYR 27 2HE TYR 27 -6.816 1.845 -5.297 201 HH TYR 27 HH TYR 27 -8.728 2.495 -6.475 202 H TRP 28 H TRP 28 -5.120 1.501 1.042 203 HA TRP 28 HA TRP 28 -4.786 -0.734 2.941 204 1HB TRP 28 2HB TRP 28 -2.746 1.418 2.322 205 2HB TRP 28 1HB TRP 28 -2.565 0.157 3.527 206 HD1 TRP 28 HD TRP 28 -2.916 0.444 -0.334 207 HE1 TRP 28 1HE TRP 28 -1.459 -1.393 -1.393 208 HE3 TRP 28 3HE TRP 28 -1.326 -1.882 3.932 209 HZ2 TRP 28 2HZ TRP 28 0.157 -3.541 -0.528 210 HZ3 TRP 28 3HZ TRP 28 0.179 -3.814 3.728 211 HH2 TRP 28 HH TRP 28 0.904 -4.626 1.544 212 H HIS 29 H HIS 29 -3.833 0.354 5.057 213 HA HIS 29 HA HIS 29 -5.355 2.811 5.644 214 1HB HIS 29 2HB HIS 29 -4.346 0.600 7.403 215 2HB HIS 29 1HB HIS 29 -4.497 2.223 8.063 216 HD2 HIS 29 2HD HIS 29 -7.238 3.252 7.800 217 HE1 HIS 29 1HE HIS 29 -8.772 -0.691 8.052 218 HE2 HIS 29 2HE HIS 29 -9.313 1.781 8.345 219 H SER 30 H SER 30 -4.080 4.405 6.950 220 HA SER 30 HA SER 30 -1.694 5.073 5.676 221 1HB SER 30 2HB SER 30 -2.045 6.102 8.420 222 2HB SER 30 1HB SER 30 -1.843 6.978 6.902 223 HG SER 30 HG SER 30 -4.006 6.959 8.126 224 H ARG 31 H ARG 31 -2.263 3.470 8.800 225 HA ARG 31 HA ARG 31 0.615 3.120 9.138 226 1HB ARG 31 2HB ARG 31 -1.166 3.779 10.970 227 2HB ARG 31 1HB ARG 31 -1.361 2.035 11.087 228 1HG ARG 31 2HG ARG 31 0.647 1.738 12.060 229 2HG ARG 31 1HG ARG 31 1.413 3.018 11.118 230 1HD ARG 31 2HD ARG 31 -0.487 3.474 13.412 231 2HD ARG 31 1HD ARG 31 1.271 3.515 13.540 232 HE ARG 31 HE ARG 31 -0.428 5.466 12.148 233 1HH1 ARG 31 2HH1 ARG 31 2.773 4.416 13.113 234 2HH1 ARG 31 1HH1 ARG 31 3.472 6.007 12.999 235 1HH2 ARG 31 2HH2 ARG 31 0.487 7.561 11.979 236 2HH2 ARG 31 1HH2 ARG 31 2.165 7.800 12.378 237 H CYS 32 H CYS 32 -1.804 1.438 7.616 238 HA CYS 32 HA CYS 32 -0.925 -1.204 8.411 239 1HB CYS 32 2HB CYS 32 -3.006 -0.160 6.532 240 2HB CYS 32 1HB CYS 32 -2.482 -1.836 6.414 241 H LEU 33 H LEU 33 -0.570 0.969 5.650 242 HA LEU 33 HA LEU 33 0.897 -0.824 4.007 243 1HB LEU 33 2HB LEU 33 -0.086 1.222 3.110 244 2HB LEU 33 1HB LEU 33 0.947 2.197 4.140 245 HG LEU 33 HG LEU 33 2.900 1.031 2.888 246 1HD1 LEU 33 1HD1 LEU 33 2.248 -0.507 1.415 247 2HD1 LEU 33 2HD1 LEU 33 0.574 0.044 1.455 248 3HD1 LEU 33 3HD1 LEU 33 1.740 0.843 0.400 249 1HD2 LEU 33 1HD2 LEU 33 1.113 3.107 1.639 250 2HD2 LEU 33 2HD2 LEU 33 2.509 3.376 2.682 251 3HD2 LEU 33 3HD2 LEU 33 2.733 2.723 1.060 252 H LYS 34 H LYS 34 1.897 1.818 6.105 253 HA LYS 34 HA LYS 34 3.880 2.355 7.127 254 1HB LYS 34 2HB LYS 34 4.547 0.545 8.753 255 2HB LYS 34 1HB LYS 34 2.884 1.099 8.830 256 1HG LYS 34 2HG LYS 34 2.462 -1.101 8.936 257 2HG LYS 34 1HG LYS 34 2.583 -0.994 7.180 258 1HD LYS 34 2HD LYS 34 5.174 -1.363 7.809 259 2HD LYS 34 1HD LYS 34 4.409 -2.234 9.141 260 1HE LYS 34 2HE LYS 34 4.252 -2.757 6.197 261 2HE LYS 34 1HE LYS 34 4.676 -3.866 7.499 262 1HZ LYS 34 1HZ LYS 34 2.491 -4.380 6.700 263 2HZ LYS 34 2HZ LYS 34 1.973 -2.779 6.910 264 3HZ LYS 34 3HZ LYS 34 2.354 -3.733 8.260 265 H CYS 35 H CYS 35 5.940 1.366 7.984 266 HA CYS 35 HA CYS 35 7.608 1.315 5.691 267 1HB CYS 35 2HB CYS 35 7.866 1.562 8.639 268 2HB CYS 35 1HB CYS 35 9.285 1.162 7.717 269 H SER 36 H SER 36 9.591 -0.124 5.720 270 HA SER 36 HA SER 36 8.801 -2.894 6.165 271 1HB SER 36 2HB SER 36 11.475 -2.533 5.132 272 2HB SER 36 1HB SER 36 10.078 -3.297 4.366 273 HG SER 36 HG SER 36 9.405 -1.290 3.635 274 H SER 37 H SER 37 11.472 -0.679 7.006 275 HA SER 37 HA SER 37 12.217 -2.536 9.158 276 1HB SER 37 2HB SER 37 14.019 -0.300 8.385 277 2HB SER 37 1HB SER 37 14.411 -1.958 8.841 278 HG SER 37 HG SER 37 13.444 -0.984 6.359 279 H CYS 38 H CYS 38 11.942 0.995 8.554 280 HA CYS 38 HA CYS 38 12.360 1.757 11.211 281 1HB CYS 38 2HB CYS 38 10.571 3.502 9.655 282 2HB CYS 38 1HB CYS 38 12.112 3.862 10.426 283 H GLN 39 H GLN 39 9.423 0.893 9.527 284 HA GLN 39 HA GLN 39 7.316 0.435 10.193 285 1HB GLN 39 2HB GLN 39 8.881 -0.096 12.606 286 2HB GLN 39 1HB GLN 39 7.209 0.336 12.937 287 1HG GLN 39 2HG GLN 39 7.175 -1.974 12.762 288 2HG GLN 39 1HG GLN 39 6.593 -1.417 11.192 289 1HE2 GLN 39 1HE2 GLN 39 7.585 -2.122 9.425 290 2HE2 GLN 39 2HE2 GLN 39 9.079 -2.997 9.394 291 H ALA 40 H ALA 40 7.987 3.100 9.734 292 HA ALA 40 HA ALA 40 6.410 4.551 11.722 293 1HB ALA 40 1HB ALA 40 7.980 6.102 11.381 294 2HB ALA 40 2HB ALA 40 8.607 5.260 9.964 295 3HB ALA 40 3HB ALA 40 7.243 6.366 9.801 296 H GLN 41 H GLN 41 5.507 6.538 9.939 297 HA GLN 41 HA GLN 41 3.481 5.007 8.462 298 1HB GLN 41 2HB GLN 41 3.088 6.973 10.277 299 2HB GLN 41 1HB GLN 41 3.143 7.924 8.799 300 1HG GLN 41 2HG GLN 41 1.467 5.544 8.596 301 2HG GLN 41 1HG GLN 41 0.933 6.697 9.819 302 1HE2 GLN 41 1HE2 GLN 41 0.006 8.570 9.205 303 2HE2 GLN 41 2HE2 GLN 41 -0.254 9.033 7.556 304 H LEU 42 H LEU 42 3.668 4.898 6.358 305 HA LEU 42 HA LEU 42 5.793 6.020 4.960 306 1HB LEU 42 2HB LEU 42 3.388 4.449 4.287 307 2HB LEU 42 1HB LEU 42 4.107 5.335 2.959 308 HG LEU 42 HG LEU 42 4.845 2.814 3.942 309 1HD1 LEU 42 1HD1 LEU 42 6.770 3.240 2.239 310 2HD1 LEU 42 2HD1 LEU 42 5.096 3.146 1.687 311 3HD1 LEU 42 3HD1 LEU 42 5.868 4.717 1.895 312 1HD2 LEU 42 1HD2 LEU 42 7.141 4.714 4.319 313 2HD2 LEU 42 2HD2 LEU 42 6.148 4.141 5.658 314 3HD2 LEU 42 3HD2 LEU 42 7.070 2.991 4.691 315 H GLY 43 H GLY 43 2.486 7.169 5.317 316 1HA GLY 43 1HA GLY 43 2.945 9.260 3.318 317 2HA GLY 43 2HA GLY 43 1.409 8.872 4.075 318 H ASP 44 H ASP 44 3.539 8.904 6.533 319 HA ASP 44 HA ASP 44 2.689 11.552 7.369 320 1HB ASP 44 2HB ASP 44 2.683 9.545 8.900 321 2HB ASP 44 1HB ASP 44 4.442 9.605 8.874 322 H ILE 45 H ILE 45 5.501 9.947 6.188 323 HA ILE 45 HA ILE 45 7.297 12.133 6.864 324 HB ILE 45 HB ILE 45 9.013 10.778 5.706 325 1HG1 ILE 45 2HG1 ILE 45 7.130 8.478 5.494 326 1HG2 ILE 45 1HG2 ILE 45 7.377 9.740 7.949 327 2HG2 ILE 45 2HG2 ILE 45 8.594 8.661 7.267 328 3HG2 ILE 45 3HG2 ILE 45 9.070 10.232 7.912 329 1HD1 ILE 45 1HD1 ILE 45 8.493 8.023 3.455 330 2HD1 ILE 45 2HD1 ILE 45 9.515 9.389 3.911 331 3HD1 ILE 45 3HD1 ILE 45 9.390 7.986 4.973 332 H GLY 46 H GLY 46 4.974 11.778 4.659 333 1HA GLY 46 1HA GLY 46 4.887 13.661 2.991 334 2HA GLY 46 2HA GLY 46 6.477 13.092 2.488 335 H THR 47 H THR 47 5.239 12.949 0.369 336 HA THR 47 HA THR 47 3.657 10.471 0.231 337 HB THR 47 HB THR 47 4.081 11.930 -2.275 338 HG1 THR 47 1HG THR 47 2.473 13.600 -1.446 339 1HG2 THR 47 1HG2 THR 47 1.475 11.418 -0.876 340 2HG2 THR 47 2HG2 THR 47 2.357 10.124 -1.688 341 3HG2 THR 47 3HG2 THR 47 1.798 11.523 -2.607 342 H SER 48 H SER 48 5.140 8.809 0.234 343 HA SER 48 HA SER 48 6.757 8.493 -2.121 344 1HB SER 48 2HB SER 48 7.993 9.109 0.540 345 2HB SER 48 1HB SER 48 8.828 8.026 -0.574 346 HG SER 48 HG SER 48 9.501 9.774 -1.512 347 H SER 49 H SER 49 7.237 6.393 -2.552 348 HA SER 49 HA SER 49 7.215 4.363 -0.560 349 1HB SER 49 2HB SER 49 5.311 3.175 -2.088 350 2HB SER 49 1HB SER 49 4.953 4.065 -0.607 351 HG SER 49 HG SER 49 3.640 4.905 -2.163 352 H TYR 50 H TYR 50 8.486 2.756 -1.218 353 HA TYR 50 HA TYR 50 9.174 2.609 -4.082 354 1HB TYR 50 2HB TYR 50 10.769 2.223 -1.575 355 2HB TYR 50 1HB TYR 50 11.224 1.329 -3.018 356 HD1 TYR 50 1HD TYR 50 11.619 4.353 -1.237 357 HD2 TYR 50 2HD TYR 50 11.559 2.754 -5.177 358 HE1 TYR 50 1HE TYR 50 12.933 6.271 -2.028 359 HE2 TYR 50 2HE TYR 50 12.867 4.677 -5.977 360 HH TYR 50 HH TYR 50 13.299 7.489 -4.177 361 H THR 51 H THR 51 8.693 0.757 -5.115 362 HA THR 51 HA THR 51 7.942 -1.563 -3.465 363 HB THR 51 HB THR 51 7.082 -1.320 -6.313 364 HG1 THR 51 1HG THR 51 6.420 0.432 -4.357 365 1HG2 THR 51 1HG2 THR 51 4.995 -2.329 -4.930 366 2HG2 THR 51 2HG2 THR 51 6.326 -2.836 -3.893 367 3HG2 THR 51 3HG2 THR 51 6.297 -3.321 -5.589 368 H LYS 52 H LYS 52 9.747 -2.749 -3.360 369 HA LYS 52 HA LYS 52 10.802 -3.832 -5.857 370 1HB LYS 52 2HB LYS 52 12.624 -2.776 -3.677 371 2HB LYS 52 1HB LYS 52 13.122 -3.527 -5.186 372 1HG LYS 52 2HG LYS 52 11.421 -1.136 -5.431 373 2HG LYS 52 1HG LYS 52 13.036 -0.886 -4.786 374 1HD LYS 52 2HD LYS 52 13.200 -2.639 -7.030 375 2HD LYS 52 1HD LYS 52 12.262 -1.216 -7.475 376 1HE LYS 52 2HE LYS 52 14.756 -0.744 -5.968 377 2HE LYS 52 1HE LYS 52 14.925 -1.313 -7.626 378 1HZ LYS 52 1HZ LYS 52 14.229 0.630 -8.450 379 2HZ LYS 52 2HZ LYS 52 14.610 1.263 -6.925 380 3HZ LYS 52 3HZ LYS 52 13.008 0.828 -7.292 381 H SER 53 H SER 53 11.422 -5.949 -5.673 382 HA SER 53 HA SER 53 11.580 -8.051 -4.809 383 1HB SER 53 2HB SER 53 12.013 -6.657 -2.153 384 2HB SER 53 1HB SER 53 12.379 -8.346 -2.513 385 HG SER 53 HG SER 53 13.514 -6.409 -4.181 386 H GLY 54 H GLY 54 9.026 -6.463 -4.829 387 1HA GLY 54 1HA GLY 54 6.822 -6.879 -4.284 388 2HA GLY 54 2HA GLY 54 7.346 -8.369 -3.510 389 H MET 55 H MET 55 8.972 -5.568 -2.490 390 HA MET 55 HA MET 55 7.560 -5.678 0.076 391 1HB MET 55 2HB MET 55 10.321 -5.463 -0.697 392 2HB MET 55 1HB MET 55 9.874 -4.054 0.254 393 1HG MET 55 2HG MET 55 10.555 -5.462 1.903 394 2HG MET 55 1HG MET 55 8.836 -5.855 1.850 395 1HE MET 55 1HE MET 55 12.244 -6.461 0.793 396 2HE MET 55 2HE MET 55 12.468 -8.120 1.353 397 3HE MET 55 3HE MET 55 12.139 -7.801 -0.350 398 H ILE 56 H ILE 56 7.513 -3.579 1.266 399 HA ILE 56 HA ILE 56 7.023 -1.303 -0.529 400 HB ILE 56 HB ILE 56 5.298 -2.246 1.755 401 1HG1 ILE 56 2HG1 ILE 56 3.799 -1.215 -0.392 402 1HG2 ILE 56 1HG2 ILE 56 4.959 -0.156 2.433 403 2HG2 ILE 56 2HG2 ILE 56 5.980 0.477 1.140 404 3HG2 ILE 56 3HG2 ILE 56 4.264 0.193 0.850 405 1HD1 ILE 56 1HD1 ILE 56 4.388 -3.958 0.605 406 2HD1 ILE 56 2HD1 ILE 56 2.873 -3.054 0.622 407 3HD1 ILE 56 3HD1 ILE 56 3.478 -3.736 -0.888 408 H LEU 57 H LEU 57 8.558 0.115 -0.130 409 HA LEU 57 HA LEU 57 9.475 0.463 2.651 410 1HB LEU 57 2HB LEU 57 11.286 1.003 0.345 411 2HB LEU 57 1HB LEU 57 11.681 0.501 1.977 412 HG LEU 57 HG LEU 57 10.203 -1.580 0.646 413 1HD1 LEU 57 1HD1 LEU 57 12.420 -0.291 -0.863 414 2HD1 LEU 57 2HD1 LEU 57 12.282 -2.049 -0.889 415 3HD1 LEU 57 3HD1 LEU 57 10.942 -1.051 -1.455 416 1HD2 LEU 57 1HD2 LEU 57 11.902 -2.929 1.493 417 2HD2 LEU 57 2HD2 LEU 57 13.093 -1.629 1.435 418 3HD2 LEU 57 3HD2 LEU 57 11.810 -1.596 2.648 419 H CYS 58 H CYS 58 10.044 2.527 3.307 420 HA CYS 58 HA CYS 58 8.947 4.743 1.820 421 1HB CYS 58 2HB CYS 58 9.531 6.083 3.712 422 2HB CYS 58 1HB CYS 58 8.921 4.561 4.352 423 H ARG 59 H ARG 59 10.721 6.747 2.082 424 HA ARG 59 HA ARG 59 12.701 6.127 0.106 425 1HB ARG 59 2HB ARG 59 11.718 8.305 0.027 426 2HB ARG 59 1HB ARG 59 12.113 8.612 1.711 427 1HG ARG 59 2HG ARG 59 13.582 9.868 0.284 428 2HG ARG 59 1HG ARG 59 14.501 8.624 1.130 429 1HD ARG 59 2HD ARG 59 14.329 7.200 -0.900 430 2HD ARG 59 1HD ARG 59 13.549 8.548 -1.730 431 HE ARG 59 HE ARG 59 16.311 8.613 -0.697 432 1HH1 ARG 59 2HH1 ARG 59 13.906 9.474 -3.099 433 2HH1 ARG 59 1HH1 ARG 59 14.992 10.510 -3.979 434 1HH2 ARG 59 2HH2 ARG 59 17.726 9.980 -1.853 435 2HH2 ARG 59 1HH2 ARG 59 17.136 10.841 -3.255 436 H ASN 60 H ASN 60 12.626 6.334 3.585 437 HA ASN 60 HA ASN 60 15.508 6.373 3.874 438 1HB ASN 60 2HB ASN 60 14.161 7.375 5.642 439 2HB ASN 60 1HB ASN 60 13.315 5.851 5.898 440 1HD2 ASN 60 1HD2 ASN 60 14.014 4.680 7.542 441 2HD2 ASN 60 2HD2 ASN 60 15.614 4.719 8.211 442 H ASP 61 H ASP 61 12.885 4.033 4.106 443 HA ASP 61 HA ASP 61 14.369 1.795 4.938 444 1HB ASP 61 2HB ASP 61 11.793 2.227 3.540 445 2HB ASP 61 1HB ASP 61 12.496 0.623 3.434 446 H TYR 62 H TYR 62 13.712 3.120 1.749 447 HA TYR 62 HA TYR 62 14.771 1.078 0.176 448 1HB TYR 62 2HB TYR 62 13.494 3.098 -0.628 449 2HB TYR 62 1HB TYR 62 14.973 4.034 -0.425 450 HD1 TYR 62 1HD TYR 62 13.631 1.029 -2.167 451 HD2 TYR 62 2HD TYR 62 16.505 4.165 -2.176 452 HE1 TYR 62 1HE TYR 62 14.349 0.360 -4.418 453 HE2 TYR 62 2HE TYR 62 17.233 3.499 -4.429 454 HH TYR 62 HH TYR 62 17.194 1.363 -5.813 455 H ILE 63 H ILE 63 16.349 3.838 1.725 456 HA ILE 63 HA ILE 63 18.931 3.261 0.656 457 HB ILE 63 HB ILE 63 18.301 4.901 3.111 458 1HG1 ILE 63 2HG1 ILE 63 17.004 5.800 1.293 459 1HG2 ILE 63 1HG2 ILE 63 20.653 4.296 2.872 460 2HG2 ILE 63 2HG2 ILE 63 20.661 4.953 1.236 461 3HG2 ILE 63 3HG2 ILE 63 20.413 6.025 2.615 462 1HD1 ILE 63 1HD1 ILE 63 18.632 6.712 -0.668 463 2HD1 ILE 63 2HD1 ILE 63 19.323 5.121 -0.349 464 3HD1 ILE 63 3HD1 ILE 63 17.620 5.272 -0.782 465 H ARG 64 H ARG 64 17.122 2.241 3.426 466 HA ARG 64 HA ARG 64 19.293 1.181 4.937 467 1HB ARG 64 2HB ARG 64 16.323 1.008 5.027 468 2HB ARG 64 1HB ARG 64 17.226 -0.263 5.839 469 1HG ARG 64 2HG ARG 64 18.436 1.493 7.115 470 2HG ARG 64 1HG ARG 64 17.370 2.694 6.381 471 1HD ARG 64 2HD ARG 64 16.323 2.261 8.399 472 2HD ARG 64 1HD ARG 64 15.461 1.200 7.286 473 HE ARG 64 HE ARG 64 16.907 -0.623 8.139 474 1HH1 ARG 64 2HH1 ARG 64 16.411 2.250 10.090 475 2HH1 ARG 64 1HH1 ARG 64 16.807 1.453 11.584 476 1HH2 ARG 64 2HH2 ARG 64 17.377 -1.681 10.099 477 2HH2 ARG 64 1HH2 ARG 64 17.334 -0.786 11.597 478 H LEU 65 H LEU 65 17.022 -0.159 2.589 479 HA LEU 65 HA LEU 65 18.162 -2.808 2.859 480 1HB LEU 65 2HB LEU 65 15.767 -1.617 1.623 481 2HB LEU 65 1HB LEU 65 16.423 -3.007 0.782 482 HG LEU 65 HG LEU 65 16.379 -4.077 3.198 483 1HD1 LEU 65 1HD1 LEU 65 15.117 -3.102 4.763 484 2HD1 LEU 65 2HD1 LEU 65 15.328 -1.632 3.813 485 3HD1 LEU 65 3HD1 LEU 65 13.882 -2.618 3.600 486 1HD2 LEU 65 1HD2 LEU 65 14.629 -4.049 0.940 487 2HD2 LEU 65 2HD2 LEU 65 14.978 -5.362 2.066 488 3HD2 LEU 65 3HD2 LEU 65 13.681 -4.222 2.419 489 H PHE 66 H PHE 66 17.664 -0.572 0.110 490 HA PHE 66 HA PHE 66 19.895 -1.950 -1.243 491 1HB PHE 66 2HB PHE 66 17.751 -0.461 -2.728 492 2HB PHE 66 1HB PHE 66 18.816 -1.737 -3.309 493 HD1 PHE 66 1HD PHE 66 18.488 -4.057 -2.054 494 HD2 PHE 66 2HD PHE 66 15.561 -0.982 -2.325 495 HE1 PHE 66 1HE PHE 66 16.716 -5.715 -1.656 496 HE2 PHE 66 2HE PHE 66 13.784 -2.632 -1.919 497 HZ PHE 66 HZ PHE 66 14.360 -5.004 -1.587 498 H GLY 67 H GLY 67 20.137 0.341 0.530 499 1HA GLY 67 1HA GLY 67 20.819 2.477 -1.377 500 2HA GLY 67 2HA GLY 67 20.600 2.685 0.352 501 H ASN 68 H ASN 68 22.206 2.157 1.765 502 HA ASN 68 HA ASN 68 24.300 1.820 2.563 503 1HB ASN 68 2HB ASN 68 24.325 -0.263 1.254 504 2HB ASN 68 1HB ASN 68 24.919 0.625 -0.145 505 1HD2 ASN 68 1HD2 ASN 68 26.891 -0.203 -0.407 506 2HD2 ASN 68 2HD2 ASN 68 28.140 -0.189 0.793 507 H SER 69 H SER 69 24.595 2.804 -0.856 508 HA SER 69 HA SER 69 26.678 4.706 -0.168 509 1HB SER 69 2HB SER 69 25.597 4.907 -2.866 510 2HB SER 69 1HB SER 69 27.242 4.548 -2.343 511 HG SER 69 HG SER 69 26.797 2.420 -2.301 512 H GLY 70 H GLY 70 26.485 6.982 -0.631 513 1HA GLY 70 1HA GLY 70 23.815 7.981 -0.006 514 2HA GLY 70 2HA GLY 70 25.313 8.900 0.051 515 H ALA 71 H ALA 71 25.919 10.085 -1.675 516 HA ALA 71 HA ALA 71 24.530 9.697 -4.228 517 1HB ALA 71 1HB ALA 71 23.376 11.454 -2.773 518 2HB ALA 71 2HB ALA 71 24.799 12.455 -3.074 519 3HB ALA 71 3HB ALA 71 23.801 11.910 -4.423 520 H GLY 72 H GLY 72 27.270 10.604 -2.399 521 1HA GLY 72 1HA GLY 72 29.471 10.788 -3.080 522 2HA GLY 72 2HA GLY 72 28.940 10.560 -4.740 523 H GLY 73 H GLY 73 30.558 12.230 -5.178 524 1HA GLY 73 1HA GLY 73 30.048 14.919 -4.282 525 2HA GLY 73 2HA GLY 73 31.209 14.427 -5.506 526 H SER 74 H SER 74 28.789 12.937 -6.756 527 HA SER 74 HA SER 74 28.135 15.042 -8.590 528 1HB SER 74 2HB SER 74 26.500 12.894 -9.207 529 2HB SER 74 1HB SER 74 28.114 13.179 -9.865 530 HG SER 74 HG SER 74 27.287 11.178 -8.311 531 H GLY 75 H GLY 75 26.302 13.021 -6.301 532 1HA GLY 75 1HA GLY 75 24.442 13.644 -5.029 533 2HA GLY 75 2HA GLY 75 24.402 15.182 -5.884 534 H GLY 76 H GLY 76 24.029 14.765 -8.379 535 1HA GLY 76 1HA GLY 76 22.798 13.728 -10.063 536 2HA GLY 76 2HA GLY 76 22.176 12.588 -8.880 537 H HIS 77 H HIS 77 20.621 13.511 -7.283 538 HA HIS 77 HA HIS 77 19.013 15.687 -8.432 539 1HB HIS 77 2HB HIS 77 18.154 12.914 -7.703 540 2HB HIS 77 1HB HIS 77 17.032 14.240 -7.427 541 HD1 HIS 77 1HD HIS 77 18.892 15.072 -10.382 542 HD2 HIS 77 2HD HIS 77 15.688 12.561 -9.518 543 HE1 HIS 77 1HE HIS 77 17.781 14.605 -12.588 544 HE2 HIS 77 2HE HIS 77 15.956 12.945 -12.063 545 H MET 78 H MET 78 17.291 16.342 -6.693 546 HA MET 78 HA MET 78 17.934 15.864 -3.960 547 1HB MET 78 2HB MET 78 19.588 17.724 -5.109 548 2HB MET 78 1HB MET 78 18.305 18.737 -4.463 549 1HG MET 78 2HG MET 78 18.933 16.893 -2.445 550 2HG MET 78 1HG MET 78 20.468 17.456 -3.100 551 1HE MET 78 1HE MET 78 19.324 17.922 -0.054 552 2HE MET 78 2HE MET 78 18.417 19.418 0.167 553 3HE MET 78 3HE MET 78 17.685 18.062 -0.692 554 H GLY 79 H GLY 79 15.614 15.493 -5.200 555 1HA GLY 79 1HA GLY 79 13.970 17.859 -4.545 556 2HA GLY 79 2HA GLY 79 13.527 16.627 -5.720 557 H SER 80 H SER 80 13.922 14.311 -4.425 558 HA SER 80 HA SER 80 11.708 14.227 -2.623 559 1HB SER 80 2HB SER 80 13.202 11.793 -2.565 560 2HB SER 80 1HB SER 80 11.664 12.116 -3.366 561 HG SER 80 HG SER 80 13.054 11.516 -4.958 562 H GLY 81 H GLY 81 11.842 13.175 -0.478 563 1HA GLY 81 1HA GLY 81 14.415 13.628 0.871 564 2HA GLY 81 2HA GLY 81 12.961 14.374 1.522 565 H GLY 82 H GLY 82 11.087 12.720 1.754 566 1HA GLY 82 1HA GLY 82 10.259 10.897 2.872 567 2HA GLY 82 2HA GLY 82 11.561 9.996 2.109 568 H ASP 83 H ASP 83 11.662 12.610 4.490 569 HA ASP 83 HA ASP 83 13.315 10.885 6.200 570 1HB ASP 83 2HB ASP 83 13.982 13.284 5.307 571 2HB ASP 83 1HB ASP 83 13.006 13.822 6.668 572 H VAL 84 H VAL 84 13.040 11.251 8.586 573 HA VAL 84 HA VAL 84 10.182 11.205 9.221 574 HB VAL 84 HB VAL 84 11.378 10.688 11.600 575 1HG1 VAL 84 1HG1 VAL 84 9.802 9.159 11.071 576 2HG1 VAL 84 2HG1 VAL 84 10.320 9.039 9.389 577 3HG1 VAL 84 3HG1 VAL 84 11.214 8.190 10.651 578 1HG2 VAL 84 1HG2 VAL 84 13.154 9.266 9.641 579 2HG2 VAL 84 2HG2 VAL 84 13.610 10.815 10.350 580 3HG2 VAL 84 3HG2 VAL 84 13.331 9.417 11.390 581 H MET 85 H MET 85 12.844 13.287 9.334 582 HA MET 85 HA MET 85 11.581 14.954 11.406 583 1HB MET 85 2HB MET 85 14.355 15.165 10.217 584 2HB MET 85 1HB MET 85 13.720 16.139 11.535 585 1HG MET 85 2HG MET 85 13.697 14.315 13.014 586 2HG MET 85 1HG MET 85 13.916 13.152 11.707 587 1HE MET 85 1HE MET 85 17.290 12.223 12.359 588 2HE MET 85 2HE MET 85 16.287 12.376 13.802 589 3HE MET 85 3HE MET 85 15.565 11.857 12.278 590 H VAL 86 H VAL 86 13.610 16.885 9.734 591 HA VAL 86 HA VAL 86 13.343 18.636 8.326 592 HB VAL 86 HB VAL 86 11.589 16.785 6.706 593 1HG1 VAL 86 1HG1 VAL 86 12.634 18.027 4.806 594 2HG1 VAL 86 2HG1 VAL 86 11.600 19.020 5.833 595 3HG1 VAL 86 3HG1 VAL 86 13.354 19.124 5.982 596 1HG2 VAL 86 1HG2 VAL 86 13.353 15.534 6.102 597 2HG2 VAL 86 2HG2 VAL 86 14.447 16.917 6.061 598 3HG2 VAL 86 3HG2 VAL 86 14.080 16.129 7.595 599 H VAL 87 H VAL 87 12.033 19.551 10.154 600 HA VAL 87 HA VAL 87 9.280 20.121 9.240 601 HB VAL 87 HB VAL 87 10.174 20.931 11.971 602 1HG1 VAL 87 1HG1 VAL 87 8.019 21.640 11.524 603 2HG1 VAL 87 2HG1 VAL 87 7.617 20.184 10.616 604 3HG1 VAL 87 3HG1 VAL 87 7.738 20.120 12.374 605 1HG2 VAL 87 1HG2 VAL 87 9.704 18.107 11.100 606 2HG2 VAL 87 2HG2 VAL 87 10.922 18.753 12.201 607 3HG2 VAL 87 3HG2 VAL 87 9.244 18.623 12.724 608 H GLY 88 H GLY 88 12.070 21.588 10.869 609 1HA GLY 88 1HA GLY 88 11.551 24.059 9.327 610 2HA GLY 88 2HA GLY 88 12.172 24.091 10.974 611 H GLU 89 H GLU 89 13.554 21.466 9.847 612 HA GLU 89 HA GLU 89 15.985 22.877 9.008 613 1HB GLU 89 2HB GLU 89 16.117 19.971 9.520 614 2HB GLU 89 1HB GLU 89 17.193 21.256 10.049 615 1HG GLU 89 2HG GLU 89 16.343 20.613 12.053 616 2HG GLU 89 1HG GLU 89 15.165 21.851 11.619 617 HA PRO 90 HA PRO 90 15.635 21.566 4.835 618 1HB PRO 90 2HB PRO 90 18.524 20.919 4.887 619 2HB PRO 90 1HB PRO 90 17.646 22.064 3.867 620 1HG PRO 90 2HG PRO 90 19.221 22.914 5.847 621 2HG PRO 90 1HG PRO 90 17.689 23.731 5.479 622 1HD PRO 90 2HD PRO 90 18.333 21.801 7.677 623 2HD PRO 90 1HD PRO 90 17.344 23.276 7.727 624 H THR 91 H THR 91 15.484 19.744 3.546 625 HA THR 91 HA THR 91 15.049 17.304 4.754 626 HB THR 91 HB THR 91 15.874 17.049 1.960 627 HG1 THR 91 1HG THR 91 15.261 19.205 1.804 628 1HG2 THR 91 1HG2 THR 91 14.327 15.577 3.405 629 2HG2 THR 91 2HG2 THR 91 13.837 15.922 1.747 630 3HG2 THR 91 3HG2 THR 91 13.103 16.805 3.085 631 H LEU 92 H LEU 92 16.413 15.992 5.727 632 HA LEU 92 HA LEU 92 19.226 16.105 5.284 633 1HB LEU 92 2HB LEU 92 17.397 14.911 7.204 634 2HB LEU 92 1HB LEU 92 18.732 13.844 6.814 635 HG LEU 92 HG LEU 92 20.238 15.877 7.326 636 1HD1 LEU 92 1HD1 LEU 92 17.953 16.746 9.046 637 2HD1 LEU 92 2HD1 LEU 92 19.403 17.634 8.575 638 3HD1 LEU 92 3HD1 LEU 92 18.113 17.363 7.401 639 1HD2 LEU 92 1HD2 LEU 92 18.832 14.877 9.759 640 2HD2 LEU 92 2HD2 LEU 92 19.693 13.737 8.724 641 3HD2 LEU 92 3HD2 LEU 92 20.558 15.085 9.460 642 H MET 93 H MET 93 17.375 13.092 5.481 643 HA MET 93 HA MET 93 17.529 11.134 4.343 644 1HB MET 93 2HB MET 93 16.547 12.765 2.594 645 2HB MET 93 1HB MET 93 18.136 12.700 1.849 646 1HG MET 93 2HG MET 93 16.002 10.973 1.424 647 2HG MET 93 1HG MET 93 17.657 10.782 0.855 648 1HE MET 93 1HE MET 93 14.876 8.951 3.019 649 2HE MET 93 2HE MET 93 15.757 8.830 4.543 650 3HE MET 93 3HE MET 93 15.378 10.414 3.867 651 H GLY 94 H GLY 94 19.650 12.308 1.874 652 1HA GLY 94 1HA GLY 94 22.112 12.331 2.199 653 2HA GLY 94 2HA GLY 94 21.889 10.887 3.178 654 H GLY 95 H GLY 95 20.653 9.093 1.977 655 1HA GLY 95 1HA GLY 95 22.140 8.423 -0.370 656 2HA GLY 95 2HA GLY 95 20.815 7.499 0.325 657 H GLU 96 H GLU 96 21.783 9.337 -2.269 658 HA GLU 96 HA GLU 96 19.049 10.119 -2.979 659 1HB GLU 96 2HB GLU 96 21.498 11.433 -3.271 660 2HB GLU 96 1HB GLU 96 21.085 10.892 -4.892 661 1HG GLU 96 2HG GLU 96 19.433 12.625 -3.074 662 2HG GLU 96 1HG GLU 96 20.230 13.098 -4.573 663 H PHE 97 H PHE 97 17.933 8.929 -4.381 664 HA PHE 97 HA PHE 97 19.375 7.366 -6.381 665 1HB PHE 97 2HB PHE 97 17.700 6.274 -4.183 666 2HB PHE 97 1HB PHE 97 17.497 5.546 -5.775 667 HD1 PHE 97 1HD PHE 97 20.197 5.655 -6.857 668 HD2 PHE 97 2HD PHE 97 18.872 4.719 -2.925 669 HE1 PHE 97 1HE PHE 97 22.225 4.308 -6.499 670 HE2 PHE 97 2HE PHE 97 20.894 3.363 -2.562 671 HZ PHE 97 HZ PHE 97 22.576 3.160 -4.349 672 H GLY 98 H GLY 98 17.848 9.794 -6.522 673 1HA GLY 98 1HA GLY 98 16.520 10.650 -8.213 674 2HA GLY 98 2HA GLY 98 16.146 9.007 -8.714 675 H ASP 99 H ASP 99 13.985 9.097 -8.882 676 HA ASP 99 HA ASP 99 12.399 9.006 -6.529 677 1HB ASP 99 2HB ASP 99 11.324 11.038 -6.470 678 2HB ASP 99 1HB ASP 99 12.902 11.561 -7.044 679 H GLU 100 H GLU 100 12.979 8.254 -9.630 680 HA GLU 100 HA GLU 100 10.456 8.284 -10.870 681 1HB GLU 100 2HB GLU 100 11.445 6.559 -12.394 682 2HB GLU 100 1HB GLU 100 12.419 8.011 -12.211 683 1HG GLU 100 2HG GLU 100 13.037 5.799 -10.364 684 2HG GLU 100 1HG GLU 100 13.407 5.525 -12.067 685 H ASP 101 H ASP 101 11.780 6.177 -8.481 686 HA ASP 101 HA ASP 101 9.572 4.285 -8.921 687 1HB ASP 101 2HB ASP 101 12.194 3.696 -8.661 688 2HB ASP 101 1HB ASP 101 11.695 3.612 -6.977 689 H GLU 102 H GLU 102 9.951 6.970 -7.377 690 HA GLU 102 HA GLU 102 8.922 6.081 -4.778 691 1HB GLU 102 2HB GLU 102 10.693 8.148 -5.565 692 2HB GLU 102 1HB GLU 102 9.240 8.923 -4.950 693 1HG GLU 102 2HG GLU 102 9.428 7.801 -2.866 694 2HG GLU 102 1HG GLU 102 10.736 6.785 -3.475 695 H ARG 103 H ARG 103 7.494 8.176 -3.956 696 HA ARG 103 HA ARG 103 5.400 9.066 -3.928 697 1HB ARG 103 2HB ARG 103 6.649 9.816 -6.507 698 2HB ARG 103 1HB ARG 103 4.935 10.159 -6.331 699 1HG ARG 103 2HG ARG 103 6.011 12.113 -5.652 700 2HG ARG 103 1HG ARG 103 5.555 11.311 -4.148 701 1HD ARG 103 2HD ARG 103 7.710 11.806 -3.627 702 2HD ARG 103 1HD ARG 103 7.983 10.263 -4.436 703 HE ARG 103 HE ARG 103 8.603 11.522 -6.428 704 1HH1 ARG 103 2HH1 ARG 103 8.543 13.233 -3.364 705 2HH1 ARG 103 1HH1 ARG 103 9.550 14.538 -3.929 706 1HH2 ARG 103 2HH2 ARG 103 9.984 13.185 -7.150 707 2HH2 ARG 103 1HH2 ARG 103 10.387 14.505 -6.080 708 H LEU 104 H LEU 104 5.140 6.341 -4.284 709 HA LEU 104 HA LEU 104 3.118 6.026 -6.384 710 1HB LEU 104 2HB LEU 104 4.534 4.064 -4.590 711 2HB LEU 104 1HB LEU 104 3.164 3.609 -5.585 712 HG LEU 104 HG LEU 104 5.459 4.938 -6.930 713 1HD1 LEU 104 1HD1 LEU 104 6.354 2.505 -7.196 714 2HD1 LEU 104 2HD1 LEU 104 6.796 3.462 -5.783 715 3HD1 LEU 104 3HD1 LEU 104 5.531 2.240 -5.657 716 1HD2 LEU 104 1HD2 LEU 104 4.631 2.710 -8.340 717 2HD2 LEU 104 2HD2 LEU 104 3.148 3.316 -7.604 718 3HD2 LEU 104 3HD2 LEU 104 4.123 4.375 -8.623 719 H ILE 105 H ILE 105 3.122 7.331 -3.510 720 HA ILE 105 HA ILE 105 0.964 5.876 -2.244 721 HB ILE 105 HB ILE 105 2.644 8.237 -1.469 722 1HG1 ILE 105 2HG1 ILE 105 1.951 5.608 -0.145 723 1HG2 ILE 105 1HG2 ILE 105 1.315 8.749 0.424 724 2HG2 ILE 105 2HG2 ILE 105 0.231 8.766 -0.968 725 3HG2 ILE 105 3HG2 ILE 105 0.241 7.383 0.127 726 1HD1 ILE 105 1HD1 ILE 105 3.282 7.985 0.910 727 2HD1 ILE 105 2HD1 ILE 105 2.555 6.615 1.750 728 3HD1 ILE 105 3HD1 ILE 105 4.189 6.485 1.099 729 H THR 106 H THR 106 -1.103 6.278 -2.460 730 HA THR 106 HA THR 106 -1.963 8.847 -3.610 731 HB THR 106 HB THR 106 -3.983 6.744 -3.153 732 HG1 THR 106 1HG THR 106 -1.914 5.780 -4.123 733 1HG2 THR 106 1HG2 THR 106 -5.024 7.667 -5.001 734 2HG2 THR 106 2HG2 THR 106 -3.505 8.231 -5.704 735 3HG2 THR 106 3HG2 THR 106 -4.193 9.060 -4.306 736 H ARG 107 H ARG 107 -2.823 10.257 -2.271 737 HA ARG 107 HA ARG 107 -2.631 9.887 0.473 738 1HB ARG 107 2HB ARG 107 -3.945 12.105 0.565 739 2HB ARG 107 1HB ARG 107 -2.388 12.089 -0.249 740 1HG ARG 107 2HG ARG 107 -3.609 13.244 -1.777 741 2HG ARG 107 1HG ARG 107 -3.887 11.603 -2.364 742 1HD ARG 107 2HD ARG 107 -5.926 11.700 -0.718 743 2HD ARG 107 1HD ARG 107 -5.728 13.441 -0.903 744 HE ARG 107 HE ARG 107 -6.135 13.174 -3.265 745 1HH1 ARG 107 2HH1 ARG 107 -6.857 10.384 -1.272 746 2HH1 ARG 107 1HH1 ARG 107 -7.997 9.709 -2.400 747 1HH2 ARG 107 2HH2 ARG 107 -7.609 12.262 -4.780 748 2HH2 ARG 107 1HH2 ARG 107 -8.376 10.740 -4.413 749 H LEU 108 H LEU 108 -4.210 10.293 2.089 750 HA LEU 108 HA LEU 108 -6.215 8.376 2.143 751 1HB LEU 108 2HB LEU 108 -6.301 10.722 3.980 752 2HB LEU 108 1HB LEU 108 -6.626 9.039 4.316 753 HG LEU 108 HG LEU 108 -4.677 9.439 5.491 754 1HD1 LEU 108 1HD1 LEU 108 -2.898 8.649 3.435 755 2HD1 LEU 108 2HD1 LEU 108 -3.598 7.680 4.730 756 3HD1 LEU 108 3HD1 LEU 108 -4.438 7.829 3.187 757 1HD2 LEU 108 1HD2 LEU 108 -3.068 10.690 3.369 758 2HD2 LEU 108 2HD2 LEU 108 -4.386 11.665 4.016 759 3HD2 LEU 108 3HD2 LEU 108 -3.144 11.033 5.098 760 H GLU 109 H GLU 109 -8.445 9.290 3.243 761 HA GLU 109 HA GLU 109 -9.771 10.274 0.937 762 1HB GLU 109 2HB GLU 109 -10.727 9.345 3.611 763 2HB GLU 109 1HB GLU 109 -11.831 9.920 2.368 764 1HG GLU 109 2HG GLU 109 -9.887 7.735 1.757 765 2HG GLU 109 1HG GLU 109 -11.377 7.379 2.627 766 H ASN 110 H ASN 110 -9.004 12.390 0.822 767 HA ASN 110 HA ASN 110 -10.658 14.313 2.156 768 1HB ASN 110 2HB ASN 110 -8.712 15.653 3.032 769 2HB ASN 110 1HB ASN 110 -9.042 14.161 3.901 770 1HD2 ASN 110 1HD2 ASN 110 -6.741 14.952 4.493 771 2HD2 ASN 110 2HD2 ASN 110 -5.460 14.198 3.618 772 H THR 111 H THR 111 -9.740 13.351 -0.571 773 HA THR 111 HA THR 111 -9.638 14.255 -2.641 774 HB THR 111 HB THR 111 -9.872 16.959 -1.313 775 HG1 THR 111 1HG THR 111 -11.952 16.529 -1.075 776 1HG2 THR 111 1HG2 THR 111 -9.219 16.601 -3.849 777 2HG2 THR 111 2HG2 THR 111 -10.386 17.838 -3.381 778 3HG2 THR 111 3HG2 THR 111 -10.946 16.292 -4.018 779 H GLN 112 H GLN 112 -7.665 16.191 -0.382 780 HA GLN 112 HA GLN 112 -5.381 15.757 -2.165 781 1HB GLN 112 2HB GLN 112 -6.660 18.306 -1.652 782 2HB GLN 112 1HB GLN 112 -4.991 18.317 -1.102 783 1HG GLN 112 2HG GLN 112 -4.495 18.855 -3.198 784 2HG GLN 112 1HG GLN 112 -4.767 17.150 -3.554 785 1HE2 GLN 112 1HE2 GLN 112 -6.580 20.177 -3.197 786 2HE2 GLN 112 2HE2 GLN 112 -7.644 19.892 -4.540 787 H PHE 113 H PHE 113 -3.296 16.126 -1.026 788 HA PHE 113 HA PHE 113 -3.293 14.867 1.493 789 1HB PHE 113 2HB PHE 113 -1.373 15.485 -0.406 790 2HB PHE 113 1HB PHE 113 -0.895 16.448 0.987 791 HD1 PHE 113 1HD PHE 113 -2.060 14.450 3.041 792 HD2 PHE 113 2HD PHE 113 0.517 14.014 -0.313 793 HE1 PHE 113 1HE PHE 113 -1.058 12.456 4.077 794 HE2 PHE 113 2HE PHE 113 1.532 12.028 0.719 795 HZ PHE 113 HZ PHE 113 0.741 11.244 2.916 796 H ASP 114 H ASP 114 -3.530 18.176 0.561 797 HA ASP 114 HA ASP 114 -3.007 19.303 3.157 798 1HB ASP 114 2HB ASP 114 -2.821 20.730 1.186 799 2HB ASP 114 1HB ASP 114 -4.494 20.396 0.752 800 H ALA 115 H ALA 115 -4.197 18.242 4.657 801 HA ALA 115 HA ALA 115 -6.836 17.367 4.222 802 1HB ALA 115 1HB ALA 115 -6.333 16.099 5.959 803 2HB ALA 115 2HB ALA 115 -4.830 16.999 6.165 804 3HB ALA 115 3HB ALA 115 -6.288 17.515 7.009 805 H ALA 116 H ALA 116 -8.236 18.987 3.723 806 HA ALA 116 HA ALA 116 -8.681 21.076 5.747 807 1HB ALA 116 1HB ALA 116 -10.320 21.865 3.834 808 2HB ALA 116 2HB ALA 116 -8.596 22.231 3.773 809 3HB ALA 116 3HB ALA 116 -9.247 20.889 2.832 810 H ASN 117 H ASN 117 -9.501 19.205 7.044 811 HA ASN 117 HA ASN 117 -11.958 17.951 6.276 812 1HB ASN 117 2HB ASN 117 -10.297 16.928 7.844 813 2HB ASN 117 1HB ASN 117 -10.718 18.154 9.034 814 1HD2 ASN 117 1HD2 ASN 117 -11.464 16.718 10.533 815 2HD2 ASN 117 2HD2 ASN 117 -12.941 15.826 10.329 816 H GLY 118 H GLY 118 -11.020 20.740 8.152 817 1HA GLY 118 1HA GLY 118 -13.180 22.302 7.762 818 2HA GLY 118 2HA GLY 118 -13.693 21.289 9.107 819 H ILE 119 H ILE 119 -13.794 23.434 10.190 820 HA ILE 119 HA ILE 119 -11.168 24.435 11.003 821 HB ILE 119 HB ILE 119 -12.985 26.060 10.391 822 1HG1 ILE 119 2HG1 ILE 119 -12.641 27.446 12.563 823 1HG2 ILE 119 1HG2 ILE 119 -14.405 24.587 12.444 824 2HG2 ILE 119 2HG2 ILE 119 -14.418 26.326 12.735 825 3HG2 ILE 119 3HG2 ILE 119 -15.019 25.684 11.207 826 1HD1 ILE 119 1HD1 ILE 119 -11.237 27.628 10.498 827 2HD1 ILE 119 2HD1 ILE 119 -10.416 28.016 12.008 828 3HD1 ILE 119 3HD1 ILE 119 -10.138 26.459 11.230 829 H ASP 120 H ASP 120 -13.803 22.496 12.043 830 HA ASP 120 HA ASP 120 -12.462 22.087 14.636 831 1HB ASP 120 2HB ASP 120 -14.549 22.941 15.277 832 2HB ASP 120 1HB ASP 120 -15.386 22.153 13.944 833 H ASP 121 H ASP 121 -11.527 20.160 14.762 834 HA ASP 121 HA ASP 121 -12.466 18.043 12.943 835 1HB ASP 121 2HB ASP 121 -10.038 18.980 12.837 836 2HB ASP 121 1HB ASP 121 -9.777 18.014 14.286 837 H GLU 122 H GLU 122 -10.296 17.374 15.538 838 HA GLU 122 HA GLU 122 -12.416 16.407 17.281 839 1HB GLU 122 2HB GLU 122 -10.256 14.651 16.106 840 2HB GLU 122 1HB GLU 122 -11.093 14.243 17.597 841 1HG GLU 122 2HG GLU 122 -12.448 14.693 14.949 842 2HG GLU 122 1HG GLU 122 -11.998 13.114 15.589 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -11.788 6.230 -15.053 2 2H GLY 1 2H GLY 1 -12.510 5.705 -13.613 3 3H GLY 1 3H GLY 1 -12.859 4.916 -15.070 4 1HA GLY 1 2HA GLY 1 -11.209 3.510 -14.733 5 2HA GLY 1 1HA GLY 1 -10.091 4.867 -14.761 6 H SER 2 H SER 2 -9.656 2.609 -13.202 7 HA SER 2 HA SER 2 -9.208 1.879 -11.099 8 1HB SER 2 2HB SER 2 -9.127 4.705 -10.113 9 2HB SER 2 1HB SER 2 -8.022 3.372 -9.782 10 HG SER 2 HG SER 2 -7.952 3.882 -12.399 11 H LEU 3 H LEU 3 -11.906 1.838 -11.617 12 HA LEU 3 HA LEU 3 -13.278 3.041 -9.348 13 1HB LEU 3 2HB LEU 3 -14.024 2.422 -11.958 14 2HB LEU 3 1HB LEU 3 -14.873 1.244 -10.977 15 HG LEU 3 HG LEU 3 -15.961 3.573 -11.571 16 1HD1 LEU 3 1HD1 LEU 3 -16.784 3.341 -8.949 17 2HD1 LEU 3 2HD1 LEU 3 -17.461 2.492 -10.339 18 3HD1 LEU 3 3HD1 LEU 3 -16.215 1.721 -9.356 19 1HD2 LEU 3 1HD2 LEU 3 -14.256 4.188 -9.167 20 2HD2 LEU 3 2HD2 LEU 3 -14.287 5.031 -10.714 21 3HD2 LEU 3 3HD2 LEU 3 -15.671 5.135 -9.626 22 H SER 4 H SER 4 -11.546 1.389 -8.304 23 HA SER 4 HA SER 4 -12.647 -1.265 -7.930 24 1HB SER 4 2HB SER 4 -10.569 -0.852 -6.100 25 2HB SER 4 1HB SER 4 -10.442 -1.639 -7.675 26 HG SER 4 HG SER 4 -9.513 0.085 -8.487 27 H TRP 5 H TRP 5 -12.560 -2.003 -5.466 28 HA TRP 5 HA TRP 5 -14.282 -0.104 -4.031 29 1HB TRP 5 2HB TRP 5 -14.698 -2.768 -4.547 30 2HB TRP 5 1HB TRP 5 -14.039 -2.810 -2.913 31 HD1 TRP 5 HD TRP 5 -16.889 -1.052 -4.857 32 HE1 TRP 5 1HE TRP 5 -18.839 -0.639 -3.221 33 HE3 TRP 5 3HE TRP 5 -14.700 -2.750 -0.555 34 HZ2 TRP 5 2HZ TRP 5 -19.364 -0.997 -0.467 35 HZ3 TRP 5 3HZ TRP 5 -15.993 -2.676 1.532 36 HH2 TRP 5 HH TRP 5 -18.278 -1.815 1.575 37 H LYS 6 H LYS 6 -13.921 0.349 -1.846 38 HA LYS 6 HA LYS 6 -11.204 0.692 -1.182 39 1HB LYS 6 2HB LYS 6 -13.762 1.512 -0.156 40 2HB LYS 6 1HB LYS 6 -12.733 0.992 1.172 41 1HG LYS 6 2HG LYS 6 -11.976 3.089 1.120 42 2HG LYS 6 1HG LYS 6 -11.019 2.539 -0.258 43 1HD LYS 6 2HD LYS 6 -12.119 3.898 -1.631 44 2HD LYS 6 1HD LYS 6 -13.674 3.248 -1.106 45 1HE LYS 6 2HE LYS 6 -12.337 5.080 0.778 46 2HE LYS 6 1HE LYS 6 -12.897 5.807 -0.728 47 1HZ LYS 6 1HZ LYS 6 -14.928 5.851 0.115 48 2HZ LYS 6 2HZ LYS 6 -14.403 5.085 1.535 49 3HZ LYS 6 3HZ LYS 6 -14.938 4.159 0.218 50 H ARG 7 H ARG 7 -10.193 -1.306 -1.114 51 HA ARG 7 HA ARG 7 -10.696 -2.773 1.363 52 1HB ARG 7 2HB ARG 7 -10.656 -4.855 0.389 53 2HB ARG 7 1HB ARG 7 -11.462 -3.933 -0.869 54 1HG ARG 7 2HG ARG 7 -9.936 -4.601 -2.311 55 2HG ARG 7 1HG ARG 7 -8.695 -3.766 -1.379 56 1HD ARG 7 2HD ARG 7 -9.038 -6.551 -1.773 57 2HD ARG 7 1HD ARG 7 -7.789 -5.722 -0.849 58 HE ARG 7 HE ARG 7 -9.020 -6.091 1.118 59 1HH1 ARG 7 2HH1 ARG 7 -10.638 -7.392 -1.705 60 2HH1 ARG 7 1HH1 ARG 7 -11.629 -8.499 -0.795 61 1HH2 ARG 7 2HH2 ARG 7 -10.285 -7.568 2.325 62 2HH2 ARG 7 1HH2 ARG 7 -11.441 -8.588 1.506 63 H CYS 8 H CYS 8 -8.911 -3.308 2.484 64 HA CYS 8 HA CYS 8 -6.522 -1.884 1.852 65 1HB CYS 8 2HB CYS 8 -7.539 -2.141 4.134 66 2HB CYS 8 1HB CYS 8 -7.030 -3.824 4.109 67 H ALA 9 H ALA 9 -4.485 -2.687 1.570 68 HA ALA 9 HA ALA 9 -4.283 -5.536 0.866 69 1HB ALA 9 1HB ALA 9 -3.433 -4.861 -1.078 70 2HB ALA 9 2HB ALA 9 -3.418 -3.178 -0.550 71 3HB ALA 9 3HB ALA 9 -2.048 -4.228 -0.189 72 H GLY 10 H GLY 10 -3.710 -3.392 3.237 73 1HA GLY 10 1HA GLY 10 -1.043 -4.343 3.981 74 2HA GLY 10 2HA GLY 10 -1.962 -3.078 4.786 75 H CYS 11 H CYS 11 -4.223 -4.077 5.584 76 HA CYS 11 HA CYS 11 -3.455 -6.355 7.255 77 1HB CYS 11 2HB CYS 11 -5.423 -5.843 8.627 78 2HB CYS 11 1HB CYS 11 -4.350 -4.460 8.499 79 H GLY 12 H GLY 12 -5.691 -5.302 4.796 80 1HA GLY 12 1HA GLY 12 -6.222 -6.878 3.093 81 2HA GLY 12 2HA GLY 12 -6.264 -8.138 4.312 82 H GLY 13 H GLY 13 -7.905 -5.644 5.692 83 1HA GLY 13 1HA GLY 13 -10.415 -6.915 5.079 84 2HA GLY 13 2HA GLY 13 -10.136 -5.654 6.271 85 H LYS 14 H LYS 14 -11.935 -4.603 5.564 86 HA LYS 14 HA LYS 14 -11.747 -3.293 2.934 87 1HB LYS 14 2HB LYS 14 -14.011 -4.292 4.484 88 2HB LYS 14 1HB LYS 14 -14.232 -2.633 3.944 89 1HG LYS 14 2HG LYS 14 -15.164 -4.169 2.332 90 2HG LYS 14 1HG LYS 14 -13.778 -3.323 1.641 91 1HD LYS 14 2HD LYS 14 -12.656 -5.230 1.322 92 2HD LYS 14 1HD LYS 14 -13.017 -5.803 2.952 93 1HE LYS 14 2HE LYS 14 -15.011 -5.885 0.699 94 2HE LYS 14 1HE LYS 14 -13.917 -7.219 1.070 95 1HZ LYS 14 1HZ LYS 14 -16.282 -6.308 2.482 96 2HZ LYS 14 2HZ LYS 14 -14.972 -6.743 3.472 97 3HZ LYS 14 3HZ LYS 14 -15.611 -7.864 2.371 98 H ILE 15 H ILE 15 -11.987 -1.037 2.818 99 HA ILE 15 HA ILE 15 -11.213 0.301 5.305 100 HB ILE 15 HB ILE 15 -11.162 1.709 2.676 101 1HG1 ILE 15 2HG1 ILE 15 -9.363 -0.550 3.514 102 1HG2 ILE 15 1HG2 ILE 15 -9.908 1.921 5.335 103 2HG2 ILE 15 2HG2 ILE 15 -8.882 2.342 3.964 104 3HG2 ILE 15 3HG2 ILE 15 -10.413 3.184 4.212 105 1HD1 ILE 15 1HD1 ILE 15 -7.893 0.285 1.556 106 2HD1 ILE 15 2HD1 ILE 15 -8.544 1.867 1.984 107 3HD1 ILE 15 3HD1 ILE 15 -7.645 0.931 3.178 108 H ALA 16 H ALA 16 -12.922 0.969 6.394 109 HA ALA 16 HA ALA 16 -14.953 2.554 4.950 110 1HB ALA 16 1HB ALA 16 -15.278 0.443 6.935 111 2HB ALA 16 2HB ALA 16 -16.094 1.939 7.388 112 3HB ALA 16 3HB ALA 16 -16.466 1.164 5.848 113 H ASP 17 H ASP 17 -12.276 2.958 6.372 114 HA ASP 17 HA ASP 17 -12.905 4.781 8.509 115 1HB ASP 17 2HB ASP 17 -10.479 3.626 7.313 116 2HB ASP 17 1HB ASP 17 -10.296 5.291 7.856 117 H ARG 18 H ARG 18 -11.769 6.995 8.357 118 HA ARG 18 HA ARG 18 -12.809 8.310 5.969 119 1HB ARG 18 2HB ARG 18 -13.392 9.183 8.214 120 2HB ARG 18 1HB ARG 18 -11.688 9.465 8.535 121 1HG ARG 18 2HG ARG 18 -11.571 11.225 7.023 122 2HG ARG 18 1HG ARG 18 -13.057 10.739 6.203 123 1HD ARG 18 2HD ARG 18 -12.958 11.681 9.061 124 2HD ARG 18 1HD ARG 18 -13.264 12.750 7.693 125 HE ARG 18 HE ARG 18 -15.036 10.625 8.680 126 1HH1 ARG 18 2HH1 ARG 18 -14.455 13.277 6.470 127 2HH1 ARG 18 1HH1 ARG 18 -16.132 13.466 6.048 128 1HH2 ARG 18 2HH2 ARG 18 -17.254 10.876 8.130 129 2HH2 ARG 18 1HH2 ARG 18 -17.720 12.135 7.019 130 H PHE 19 H PHE 19 -9.869 7.547 7.637 131 HA PHE 19 HA PHE 19 -8.267 9.042 5.689 132 1HB PHE 19 2HB PHE 19 -7.717 7.883 8.411 133 2HB PHE 19 1HB PHE 19 -6.385 8.240 7.316 134 HD1 PHE 19 1HD PHE 19 -5.345 9.938 8.576 135 HD2 PHE 19 2HD PHE 19 -9.476 10.242 7.610 136 HE1 PHE 19 1HE PHE 19 -5.348 12.277 9.334 137 HE2 PHE 19 2HE PHE 19 -9.486 12.579 8.367 138 HZ PHE 19 HZ PHE 19 -7.421 13.599 9.233 139 H LEU 20 H LEU 20 -7.720 7.915 3.935 140 HA LEU 20 HA LEU 20 -6.765 5.175 4.268 141 1HB LEU 20 2HB LEU 20 -8.381 4.192 3.081 142 2HB LEU 20 1HB LEU 20 -9.307 5.651 3.365 143 HG LEU 20 HG LEU 20 -7.727 6.140 1.071 144 1HD1 LEU 20 1HD1 LEU 20 -7.400 4.120 0.183 145 2HD1 LEU 20 2HD1 LEU 20 -8.489 3.347 1.337 146 3HD1 LEU 20 3HD1 LEU 20 -9.138 4.100 -0.119 147 1HD2 LEU 20 1HD2 LEU 20 -9.930 6.247 -0.022 148 2HD2 LEU 20 2HD2 LEU 20 -10.659 5.538 1.419 149 3HD2 LEU 20 3HD2 LEU 20 -9.888 7.123 1.509 150 H LEU 21 H LEU 21 -5.560 4.389 2.397 151 HA LEU 21 HA LEU 21 -4.360 6.590 0.840 152 1HB LEU 21 2HB LEU 21 -3.078 5.246 2.790 153 2HB LEU 21 1HB LEU 21 -2.739 4.190 1.432 154 HG LEU 21 HG LEU 21 -2.239 7.071 0.991 155 1HD1 LEU 21 1HD1 LEU 21 -0.091 7.003 2.131 156 2HD1 LEU 21 2HD1 LEU 21 -1.424 6.800 3.268 157 3HD1 LEU 21 3HD1 LEU 21 -0.475 5.402 2.765 158 1HD2 LEU 21 1HD2 LEU 21 -0.289 4.896 0.464 159 2HD2 LEU 21 2HD2 LEU 21 -1.774 4.924 -0.487 160 3HD2 LEU 21 3HD2 LEU 21 -0.690 6.314 -0.503 161 H TYR 22 H TYR 22 -3.790 6.164 -1.258 162 HA TYR 22 HA TYR 22 -4.670 3.585 -2.376 163 1HB TYR 22 2HB TYR 22 -4.327 6.008 -4.105 164 2HB TYR 22 1HB TYR 22 -5.383 4.620 -4.332 165 HD1 TYR 22 1HD TYR 22 -5.093 7.976 -3.004 166 HD2 TYR 22 2HD TYR 22 -7.507 4.467 -3.016 167 HE1 TYR 22 1HE TYR 22 -6.988 9.285 -2.154 168 HE2 TYR 22 2HE TYR 22 -9.407 5.775 -2.162 169 HH TYR 22 HH TYR 22 -10.208 7.926 -1.905 170 H ALA 23 H ALA 23 -2.981 2.350 -2.931 171 HA ALA 23 HA ALA 23 -0.589 3.589 -4.070 172 1HB ALA 23 1HB ALA 23 -0.234 1.622 -1.843 173 2HB ALA 23 2HB ALA 23 0.911 2.800 -2.485 174 3HB ALA 23 3HB ALA 23 -0.446 3.340 -1.496 175 H MET 24 H MET 24 0.238 2.413 -5.676 176 HA MET 24 HA MET 24 0.622 0.728 -7.151 177 1HB MET 24 2HB MET 24 0.389 -0.674 -4.581 178 2HB MET 24 1HB MET 24 0.022 -1.673 -5.980 179 1HG MET 24 2HG MET 24 2.209 -0.964 -6.956 180 2HG MET 24 1HG MET 24 2.568 -0.182 -5.416 181 1HE MET 24 1HE MET 24 1.360 -2.842 -3.238 182 2HE MET 24 2HE MET 24 3.091 -2.760 -2.913 183 3HE MET 24 3HE MET 24 2.191 -1.287 -3.267 184 H ASP 25 H ASP 25 -1.982 1.960 -6.820 185 HA ASP 25 HA ASP 25 -4.065 1.858 -7.680 186 1HB ASP 25 2HB ASP 25 -2.659 -0.196 -9.230 187 2HB ASP 25 1HB ASP 25 -4.394 -0.467 -9.111 188 H SER 26 H SER 26 -3.098 0.317 -5.239 189 HA SER 26 HA SER 26 -5.632 -1.111 -4.804 190 1HB SER 26 2HB SER 26 -3.466 -1.830 -2.955 191 2HB SER 26 1HB SER 26 -4.582 -2.875 -3.837 192 HG SER 26 HG SER 26 -2.937 -1.823 -5.610 193 H TYR 27 H TYR 27 -6.195 -1.067 -2.375 194 HA TYR 27 HA TYR 27 -5.545 1.635 -1.410 195 1HB TYR 27 2HB TYR 27 -8.053 0.059 -0.805 196 2HB TYR 27 1HB TYR 27 -7.730 1.740 -0.385 197 HD1 TYR 27 1HD TYR 27 -10.015 0.394 -2.109 198 HD2 TYR 27 2HD TYR 27 -6.464 2.532 -3.058 199 HE1 TYR 27 1HE TYR 27 -11.006 1.085 -4.249 200 HE2 TYR 27 2HE TYR 27 -7.447 3.229 -5.198 201 HH TYR 27 HH TYR 27 -9.744 1.843 -6.691 202 H TRP 28 H TRP 28 -5.326 1.965 0.818 203 HA TRP 28 HA TRP 28 -4.674 -0.380 2.453 204 1HB TRP 28 2HB TRP 28 -2.790 1.959 2.024 205 2HB TRP 28 1HB TRP 28 -2.497 0.568 3.051 206 HD1 TRP 28 HD TRP 28 -3.051 1.249 -0.742 207 HE1 TRP 28 1HE TRP 28 -1.509 -0.337 -2.057 208 HE3 TRP 28 3HE TRP 28 -1.022 -1.336 3.176 209 HZ2 TRP 28 2HZ TRP 28 0.338 -2.399 -1.499 210 HZ3 TRP 28 3HZ TRP 28 0.633 -3.091 2.699 211 HH2 TRP 28 HH TRP 28 1.299 -3.613 0.410 212 H HIS 29 H HIS 29 -3.979 0.410 4.689 213 HA HIS 29 HA HIS 29 -5.632 2.698 5.519 214 1HB HIS 29 2HB HIS 29 -4.499 0.360 7.050 215 2HB HIS 29 1HB HIS 29 -5.002 1.832 7.874 216 HD2 HIS 29 2HD HIS 29 -7.831 2.472 7.299 217 HE1 HIS 29 1HE HIS 29 -8.719 -1.654 6.916 218 HE2 HIS 29 2HE HIS 29 -9.686 0.651 7.391 219 H SER 30 H SER 30 -4.546 4.148 7.145 220 HA SER 30 HA SER 30 -2.288 5.259 6.022 221 1HB SER 30 2HB SER 30 -2.471 5.889 8.847 222 2HB SER 30 1HB SER 30 -2.747 6.917 7.440 223 HG SER 30 HG SER 30 -4.646 6.720 8.646 224 H ARG 31 H ARG 31 -2.452 3.156 8.901 225 HA ARG 31 HA ARG 31 0.477 3.090 8.928 226 1HB ARG 31 2HB ARG 31 -1.153 3.385 11.013 227 2HB ARG 31 1HB ARG 31 -1.100 1.627 10.981 228 1HG ARG 31 2HG ARG 31 1.553 2.387 10.712 229 2HG ARG 31 1HG ARG 31 0.888 3.524 11.886 230 1HD ARG 31 2HD ARG 31 1.882 1.280 12.712 231 2HD ARG 31 1HD ARG 31 0.364 1.853 13.400 232 HE ARG 31 HE ARG 31 -0.796 0.232 12.085 233 1HH1 ARG 31 2HH1 ARG 31 2.697 -0.107 12.074 234 2HH1 ARG 31 1HH1 ARG 31 2.655 -1.751 11.504 235 1HH2 ARG 31 2HH2 ARG 31 -0.842 -1.913 11.293 236 2HH2 ARG 31 1HH2 ARG 31 0.654 -2.766 11.055 237 H CYS 32 H CYS 32 -1.907 1.420 7.435 238 HA CYS 32 HA CYS 32 -0.814 -1.238 7.784 239 1HB CYS 32 2HB CYS 32 -2.977 -0.065 6.064 240 2HB CYS 32 1HB CYS 32 -2.338 -1.670 5.723 241 H LEU 33 H LEU 33 -0.512 1.496 5.690 242 HA LEU 33 HA LEU 33 1.391 0.113 3.964 243 1HB LEU 33 2HB LEU 33 -0.186 1.818 3.011 244 2HB LEU 33 1HB LEU 33 0.629 3.037 3.972 245 HG LEU 33 HG LEU 33 2.769 2.143 2.721 246 1HD1 LEU 33 1HD1 LEU 33 1.700 1.812 0.255 247 2HD1 LEU 33 2HD1 LEU 33 2.238 0.497 1.298 248 3HD1 LEU 33 3HD1 LEU 33 0.533 0.945 1.252 249 1HD2 LEU 33 1HD2 LEU 33 1.381 4.388 2.599 250 2HD2 LEU 33 2HD2 LEU 33 2.685 4.030 1.467 251 3HD2 LEU 33 3HD2 LEU 33 1.007 3.774 0.987 252 H LYS 34 H LYS 34 2.356 -0.287 6.219 253 HA LYS 34 HA LYS 34 3.981 1.932 7.190 254 1HB LYS 34 2HB LYS 34 4.416 0.615 9.111 255 2HB LYS 34 1HB LYS 34 2.717 0.362 8.741 256 1HG LYS 34 2HG LYS 34 4.589 -1.568 7.536 257 2HG LYS 34 1HG LYS 34 4.448 -1.621 9.294 258 1HD LYS 34 2HD LYS 34 2.339 -2.420 9.231 259 2HD LYS 34 1HD LYS 34 1.901 -1.429 7.836 260 1HE LYS 34 2HE LYS 34 3.148 -2.969 6.378 261 2HE LYS 34 1HE LYS 34 3.521 -3.974 7.778 262 1HZ LYS 34 1HZ LYS 34 0.706 -3.399 7.435 263 2HZ LYS 34 2HZ LYS 34 1.480 -4.867 7.779 264 3HZ LYS 34 3HZ LYS 34 1.387 -4.312 6.178 265 H CYS 35 H CYS 35 6.229 1.662 7.552 266 HA CYS 35 HA CYS 35 7.508 0.624 5.245 267 1HB CYS 35 2HB CYS 35 8.076 2.547 7.177 268 2HB CYS 35 1HB CYS 35 9.313 1.322 7.370 269 H SER 36 H SER 36 9.824 -0.438 5.881 270 HA SER 36 HA SER 36 9.057 -2.911 7.261 271 1HB SER 36 2HB SER 36 11.435 -2.739 5.452 272 2HB SER 36 1HB SER 36 10.397 -4.118 5.812 273 HG SER 36 HG SER 36 9.308 -1.869 4.519 274 H SER 37 H SER 37 11.816 -0.638 6.937 275 HA SER 37 HA SER 37 12.951 -1.919 9.316 276 1HB SER 37 2HB SER 37 15.077 -1.078 8.690 277 2HB SER 37 1HB SER 37 14.327 -1.663 7.207 278 HG SER 37 HG SER 37 13.729 0.512 6.752 279 H CYS 38 H CYS 38 11.979 1.308 8.114 280 HA CYS 38 HA CYS 38 12.563 2.396 10.753 281 1HB CYS 38 2HB CYS 38 12.404 4.501 9.860 282 2HB CYS 38 1HB CYS 38 12.862 3.603 8.424 283 H GLN 39 H GLN 39 10.038 1.034 8.975 284 HA GLN 39 HA GLN 39 7.821 0.658 9.340 285 1HB GLN 39 2HB GLN 39 9.100 0.318 12.038 286 2HB GLN 39 1HB GLN 39 7.400 -0.047 11.762 287 1HG GLN 39 2HG GLN 39 8.937 -1.294 9.720 288 2HG GLN 39 1HG GLN 39 9.651 -1.681 11.284 289 1HE2 GLN 39 1HE2 GLN 39 7.195 -2.393 9.091 290 2HE2 GLN 39 2HE2 GLN 39 6.268 -3.456 10.104 291 H ALA 40 H ALA 40 8.195 3.356 9.136 292 HA ALA 40 HA ALA 40 6.724 4.593 11.292 293 1HB ALA 40 1HB ALA 40 7.746 6.472 10.657 294 2HB ALA 40 2HB ALA 40 8.686 5.500 9.524 295 3HB ALA 40 3HB ALA 40 7.195 6.277 8.992 296 H GLN 41 H GLN 41 5.000 6.068 10.554 297 HA GLN 41 HA GLN 41 3.047 4.604 9.012 298 1HB GLN 41 2HB GLN 41 2.489 5.898 11.101 299 2HB GLN 41 1HB GLN 41 2.819 7.375 10.205 300 1HG GLN 41 2HG GLN 41 0.943 7.166 8.896 301 2HG GLN 41 1HG GLN 41 0.840 5.422 9.134 302 1HE2 GLN 41 1HE2 GLN 41 1.258 7.869 11.630 303 2HE2 GLN 41 2HE2 GLN 41 -0.253 7.565 12.422 304 H LEU 42 H LEU 42 3.991 4.571 6.985 305 HA LEU 42 HA LEU 42 5.043 6.747 5.632 306 1HB LEU 42 2HB LEU 42 3.784 4.198 4.672 307 2HB LEU 42 1HB LEU 42 4.407 5.390 3.552 308 HG LEU 42 HG LEU 42 5.888 3.608 5.432 309 1HD1 LEU 42 1HD1 LEU 42 7.328 3.335 3.465 310 2HD1 LEU 42 2HD1 LEU 42 5.645 2.938 3.118 311 3HD1 LEU 42 3HD1 LEU 42 6.318 4.476 2.578 312 1HD2 LEU 42 1HD2 LEU 42 6.554 6.414 4.864 313 2HD2 LEU 42 2HD2 LEU 42 7.097 5.358 6.166 314 3HD2 LEU 42 3HD2 LEU 42 7.857 5.262 4.578 315 H GLY 43 H GLY 43 1.753 5.771 6.130 316 1HA GLY 43 1HA GLY 43 0.612 7.424 4.087 317 2HA GLY 43 2HA GLY 43 -0.251 6.615 5.381 318 H ASP 44 H ASP 44 2.128 8.308 6.874 319 HA ASP 44 HA ASP 44 0.265 10.467 7.519 320 1HB ASP 44 2HB ASP 44 1.043 10.209 9.602 321 2HB ASP 44 1HB ASP 44 2.102 8.929 9.027 322 H ILE 45 H ILE 45 3.343 9.895 6.008 323 HA ILE 45 HA ILE 45 3.921 12.742 5.873 324 HB ILE 45 HB ILE 45 6.012 11.896 4.639 325 1HG1 ILE 45 2HG1 ILE 45 5.086 9.292 5.877 326 1HG2 ILE 45 1HG2 ILE 45 6.994 11.116 6.871 327 2HG2 ILE 45 2HG2 ILE 45 6.277 12.725 6.808 328 3HG2 ILE 45 3HG2 ILE 45 5.378 11.388 7.527 329 1HD1 ILE 45 1HD1 ILE 45 7.665 10.046 5.496 330 2HD1 ILE 45 2HD1 ILE 45 7.083 8.381 5.474 331 3HD1 ILE 45 3HD1 ILE 45 7.293 9.264 3.962 332 H GLY 46 H GLY 46 2.952 10.105 3.767 333 1HA GLY 46 1HA GLY 46 2.002 10.164 1.674 334 2HA GLY 46 2HA GLY 46 1.897 11.909 1.842 335 H THR 47 H THR 47 4.982 10.444 2.198 336 HA THR 47 HA THR 47 5.886 11.762 -0.218 337 HB THR 47 HB THR 47 7.873 10.294 1.383 338 HG1 THR 47 1HG THR 47 6.514 12.553 2.491 339 1HG2 THR 47 1HG2 THR 47 7.723 12.558 -0.331 340 2HG2 THR 47 2HG2 THR 47 9.155 11.813 0.376 341 3HG2 THR 47 3HG2 THR 47 8.313 13.102 1.239 342 H SER 48 H SER 48 8.072 10.255 -0.913 343 HA SER 48 HA SER 48 6.807 8.354 -2.587 344 1HB SER 48 2HB SER 48 9.685 8.175 -2.609 345 2HB SER 48 1HB SER 48 8.601 8.814 -3.849 346 HG SER 48 HG SER 48 8.979 10.785 -3.179 347 H SER 49 H SER 49 6.732 6.206 -2.498 348 HA SER 49 HA SER 49 8.372 4.779 -0.527 349 1HB SER 49 2HB SER 49 6.253 3.215 -0.418 350 2HB SER 49 1HB SER 49 6.315 4.675 0.572 351 HG SER 49 HG SER 49 4.758 5.511 -0.562 352 H TYR 50 H TYR 50 8.886 2.613 -1.153 353 HA TYR 50 HA TYR 50 8.467 2.103 -4.025 354 1HB TYR 50 2HB TYR 50 10.971 1.573 -2.407 355 2HB TYR 50 1HB TYR 50 10.753 1.213 -4.120 356 HD1 TYR 50 1HD TYR 50 9.611 3.455 -5.325 357 HD2 TYR 50 2HD TYR 50 12.365 3.395 -2.087 358 HE1 TYR 50 1HE TYR 50 10.317 5.740 -5.894 359 HE2 TYR 50 2HE TYR 50 13.084 5.678 -2.646 360 HH TYR 50 HH TYR 50 11.768 7.375 -5.478 361 H THR 51 H THR 51 8.531 -0.116 -4.691 362 HA THR 51 HA THR 51 7.645 -1.916 -2.531 363 HB THR 51 HB THR 51 6.793 -2.094 -5.408 364 HG1 THR 51 1HG THR 51 6.201 -0.150 -3.729 365 1HG2 THR 51 1HG2 THR 51 5.013 -2.952 -3.237 366 2HG2 THR 51 2HG2 THR 51 6.513 -3.869 -3.355 367 3HG2 THR 51 3HG2 THR 51 5.433 -3.766 -4.743 368 H LYS 52 H LYS 52 9.126 -3.408 -2.137 369 HA LYS 52 HA LYS 52 10.018 -5.098 -4.284 370 1HB LYS 52 2HB LYS 52 11.751 -3.035 -3.318 371 2HB LYS 52 1HB LYS 52 12.401 -4.593 -2.824 372 1HG LYS 52 2HG LYS 52 12.844 -5.241 -4.952 373 2HG LYS 52 1HG LYS 52 11.490 -4.335 -5.628 374 1HD LYS 52 2HD LYS 52 12.679 -2.335 -5.653 375 2HD LYS 52 1HD LYS 52 13.853 -2.908 -4.465 376 1HE LYS 52 2HE LYS 52 15.093 -4.007 -6.018 377 2HE LYS 52 1HE LYS 52 13.696 -4.390 -7.021 378 1HZ LYS 52 1HZ LYS 52 14.576 -1.594 -6.820 379 2HZ LYS 52 2HZ LYS 52 13.805 -2.392 -8.101 380 3HZ LYS 52 3HZ LYS 52 15.452 -2.659 -7.808 381 H SER 53 H SER 53 10.516 -7.144 -3.587 382 HA SER 53 HA SER 53 10.553 -8.961 -2.220 383 1HB SER 53 2HB SER 53 11.141 -6.920 -0.065 384 2HB SER 53 1HB SER 53 11.168 -8.665 0.187 385 HG SER 53 HG SER 53 12.757 -7.283 -1.728 386 H GLY 54 H GLY 54 8.136 -7.180 -2.682 387 1HA GLY 54 1HA GLY 54 5.894 -7.317 -2.156 388 2HA GLY 54 2HA GLY 54 6.276 -8.650 -1.069 389 H MET 55 H MET 55 8.077 -5.802 -0.628 390 HA MET 55 HA MET 55 6.505 -5.164 1.775 391 1HB MET 55 2HB MET 55 9.237 -5.870 1.461 392 2HB MET 55 1HB MET 55 9.188 -4.177 1.928 393 1HG MET 55 2HG MET 55 8.509 -4.630 4.007 394 2HG MET 55 1HG MET 55 7.421 -5.914 3.484 395 1HE MET 55 1HE MET 55 11.965 -6.626 3.687 396 2HE MET 55 2HE MET 55 11.119 -6.422 2.155 397 3HE MET 55 3HE MET 55 11.182 -5.092 3.309 398 H ILE 56 H ILE 56 6.821 -2.911 2.545 399 HA ILE 56 HA ILE 56 6.989 -1.022 0.286 400 HB ILE 56 HB ILE 56 5.255 -0.784 2.753 401 1HG1 ILE 56 2HG1 ILE 56 4.425 -2.454 1.130 402 1HG2 ILE 56 1HG2 ILE 56 4.631 1.311 2.116 403 2HG2 ILE 56 2HG2 ILE 56 6.294 1.307 1.523 404 3HG2 ILE 56 3HG2 ILE 56 4.959 1.014 0.408 405 1HD1 ILE 56 1HD1 ILE 56 5.372 -1.551 -0.934 406 2HD1 ILE 56 2HD1 ILE 56 3.629 -1.795 -1.054 407 3HD1 ILE 56 3HD1 ILE 56 4.275 -0.171 -0.823 408 H LEU 57 H LEU 57 8.482 0.522 0.486 409 HA LEU 57 HA LEU 57 9.602 1.105 3.143 410 1HB LEU 57 2HB LEU 57 11.380 0.818 0.748 411 2HB LEU 57 1HB LEU 57 11.805 0.751 2.446 412 HG LEU 57 HG LEU 57 10.128 -1.431 2.113 413 1HD1 LEU 57 1HD1 LEU 57 11.677 -2.456 0.154 414 2HD1 LEU 57 2HD1 LEU 57 10.072 -1.775 -0.112 415 3HD1 LEU 57 3HD1 LEU 57 11.508 -0.794 -0.410 416 1HD2 LEU 57 1HD2 LEU 57 11.862 -1.989 3.411 417 2HD2 LEU 57 2HD2 LEU 57 12.644 -2.471 1.905 418 3HD2 LEU 57 3HD2 LEU 57 12.956 -0.876 2.590 419 H CYS 58 H CYS 58 10.404 3.178 3.413 420 HA CYS 58 HA CYS 58 9.616 5.156 1.466 421 1HB CYS 58 2HB CYS 58 10.484 6.806 3.052 422 2HB CYS 58 1HB CYS 58 9.435 5.662 3.875 423 H ARG 59 H ARG 59 11.423 6.914 1.020 424 HA ARG 59 HA ARG 59 13.308 5.732 -0.680 425 1HB ARG 59 2HB ARG 59 12.610 8.004 -1.041 426 2HB ARG 59 1HB ARG 59 13.205 8.494 0.538 427 1HG ARG 59 2HG ARG 59 14.976 9.216 -0.624 428 2HG ARG 59 1HG ARG 59 15.473 7.526 -0.564 429 1HD ARG 59 2HD ARG 59 15.568 8.627 -2.835 430 2HD ARG 59 1HD ARG 59 14.677 7.110 -2.747 431 HE ARG 59 HE ARG 59 12.854 8.232 -3.488 432 1HH1 ARG 59 2HH1 ARG 59 14.998 10.573 -1.995 433 2HH1 ARG 59 1HH1 ARG 59 13.926 11.914 -2.266 434 1HH2 ARG 59 2HH2 ARG 59 11.479 10.018 -3.919 435 2HH2 ARG 59 1HH2 ARG 59 11.943 11.599 -3.365 436 H ASN 60 H ASN 60 13.576 6.892 2.628 437 HA ASN 60 HA ASN 60 16.370 6.498 2.917 438 1HB ASN 60 2HB ASN 60 15.558 7.887 4.558 439 2HB ASN 60 1HB ASN 60 14.057 6.985 4.732 440 1HD2 ASN 60 1HD2 ASN 60 13.861 6.082 6.631 441 2HD2 ASN 60 2HD2 ASN 60 15.143 5.463 7.613 442 H ASP 61 H ASP 61 13.553 4.462 3.602 443 HA ASP 61 HA ASP 61 14.926 2.283 4.764 444 1HB ASP 61 2HB ASP 61 12.248 2.768 3.657 445 2HB ASP 61 1HB ASP 61 12.803 1.108 3.488 446 H TYR 62 H TYR 62 14.048 3.059 1.459 447 HA TYR 62 HA TYR 62 14.679 0.702 0.198 448 1HB TYR 62 2HB TYR 62 13.614 2.813 -0.760 449 2HB TYR 62 1HB TYR 62 15.255 3.403 -1.002 450 HD1 TYR 62 1HD TYR 62 16.190 3.078 -3.066 451 HD2 TYR 62 2HD TYR 62 13.240 0.334 -1.709 452 HE1 TYR 62 1HE TYR 62 16.314 1.890 -5.212 453 HE2 TYR 62 2HE TYR 62 13.348 -0.857 -3.856 454 HH TYR 62 HH TYR 62 14.522 0.339 -6.562 455 H ILE 63 H ILE 63 16.857 3.484 0.686 456 HA ILE 63 HA ILE 63 19.110 2.195 -0.458 457 HB ILE 63 HB ILE 63 19.486 4.349 1.569 458 1HG1 ILE 63 2HG1 ILE 63 17.440 4.952 0.242 459 1HG2 ILE 63 1HG2 ILE 63 21.460 4.571 0.576 460 2HG2 ILE 63 2HG2 ILE 63 21.079 3.113 -0.341 461 3HG2 ILE 63 3HG2 ILE 63 20.717 4.700 -1.017 462 1HD1 ILE 63 1HD1 ILE 63 18.470 3.917 -1.933 463 2HD1 ILE 63 2HD1 ILE 63 17.414 5.330 -2.003 464 3HD1 ILE 63 3HD1 ILE 63 19.162 5.531 -2.104 465 H ARG 64 H ARG 64 17.759 2.270 2.744 466 HA ARG 64 HA ARG 64 20.030 1.247 4.124 467 1HB ARG 64 2HB ARG 64 18.467 2.301 5.504 468 2HB ARG 64 1HB ARG 64 17.104 1.506 4.735 469 1HG ARG 64 2HG ARG 64 17.198 -0.259 6.112 470 2HG ARG 64 1HG ARG 64 18.962 -0.304 6.102 471 1HD ARG 64 2HD ARG 64 18.343 0.232 8.312 472 2HD ARG 64 1HD ARG 64 18.885 1.744 7.586 473 HE ARG 64 HE ARG 64 16.014 1.122 7.625 474 1HH1 ARG 64 2HH1 ARG 64 18.710 3.064 8.749 475 2HH1 ARG 64 1HH1 ARG 64 17.696 4.306 9.433 476 1HH2 ARG 64 2HH2 ARG 64 14.684 2.734 8.545 477 2HH2 ARG 64 1HH2 ARG 64 15.406 4.114 9.324 478 H LEU 65 H LEU 65 17.182 -0.208 2.638 479 HA LEU 65 HA LEU 65 17.895 -2.837 3.544 480 1HB LEU 65 2HB LEU 65 15.586 -1.538 2.368 481 2HB LEU 65 1HB LEU 65 15.883 -3.105 1.640 482 HG LEU 65 HG LEU 65 14.400 -3.554 3.384 483 1HD1 LEU 65 1HD1 LEU 65 15.648 -5.280 3.993 484 2HD1 LEU 65 2HD1 LEU 65 17.131 -4.381 3.671 485 3HD1 LEU 65 3HD1 LEU 65 16.357 -4.267 5.250 486 1HD2 LEU 65 1HD2 LEU 65 16.013 -1.564 4.936 487 2HD2 LEU 65 2HD2 LEU 65 14.282 -1.567 4.594 488 3HD2 LEU 65 3HD2 LEU 65 14.954 -2.719 5.749 489 H PHE 66 H PHE 66 17.426 -1.446 0.283 490 HA PHE 66 HA PHE 66 19.205 -3.572 -0.732 491 1HB PHE 66 2HB PHE 66 17.108 -2.310 -2.463 492 2HB PHE 66 1HB PHE 66 17.837 -3.908 -2.582 493 HD1 PHE 66 1HD PHE 66 17.284 -5.521 -0.576 494 HD2 PHE 66 2HD PHE 66 14.965 -2.124 -1.666 495 HE1 PHE 66 1HE PHE 66 15.333 -6.493 0.561 496 HE2 PHE 66 2HE PHE 66 13.011 -3.088 -0.527 497 HZ PHE 66 HZ PHE 66 13.194 -5.276 0.586 498 H GLY 67 H GLY 67 19.651 -0.658 0.061 499 1HA GLY 67 1HA GLY 67 20.130 0.838 -2.296 500 2HA GLY 67 2HA GLY 67 20.783 1.192 -0.705 501 H ASN 68 H ASN 68 21.847 -1.744 -0.936 502 HA ASN 68 HA ASN 68 23.823 -2.750 -1.394 503 1HB ASN 68 2HB ASN 68 22.726 -2.213 -3.767 504 2HB ASN 68 1HB ASN 68 24.177 -1.231 -3.930 505 1HD2 ASN 68 1HD2 ASN 68 23.706 -3.335 -5.595 506 2HD2 ASN 68 2HD2 ASN 68 24.847 -4.604 -5.271 507 H SER 69 H SER 69 25.293 -0.529 -3.434 508 HA SER 69 HA SER 69 27.262 0.105 -1.434 509 1HB SER 69 2HB SER 69 27.451 1.346 -4.108 510 2HB SER 69 1HB SER 69 28.656 0.440 -3.192 511 HG SER 69 HG SER 69 27.982 -1.388 -4.052 512 H GLY 70 H GLY 70 24.616 1.304 -1.117 513 1HA GLY 70 1HA GLY 70 23.791 3.301 -0.345 514 2HA GLY 70 2HA GLY 70 25.434 3.921 -0.409 515 H ALA 71 H ALA 71 23.136 2.802 -2.892 516 HA ALA 71 HA ALA 71 23.899 4.962 -4.633 517 1HB ALA 71 1HB ALA 71 21.536 3.575 -5.509 518 2HB ALA 71 2HB ALA 71 23.145 3.611 -6.231 519 3HB ALA 71 3HB ALA 71 22.768 2.428 -4.978 520 H GLY 72 H GLY 72 23.189 6.412 -2.721 521 1HA GLY 72 1HA GLY 72 20.527 7.439 -3.425 522 2HA GLY 72 2HA GLY 72 20.930 7.174 -1.732 523 H GLY 73 H GLY 73 20.994 9.360 -4.278 524 1HA GLY 73 1HA GLY 73 22.744 11.148 -2.719 525 2HA GLY 73 2HA GLY 73 22.898 11.026 -4.466 526 H SER 74 H SER 74 20.673 11.906 -1.870 527 HA SER 74 HA SER 74 18.779 13.149 -3.591 528 1HB SER 74 2HB SER 74 18.974 14.020 -0.757 529 2HB SER 74 1HB SER 74 17.563 13.519 -1.688 530 HG SER 74 HG SER 74 18.164 11.372 -1.432 531 H GLY 75 H GLY 75 18.696 15.185 -4.368 532 1HA GLY 75 1HA GLY 75 19.861 17.458 -3.243 533 2HA GLY 75 2HA GLY 75 21.021 16.780 -4.376 534 H GLY 76 H GLY 76 20.340 19.168 -5.065 535 1HA GLY 76 1HA GLY 76 17.908 19.241 -6.632 536 2HA GLY 76 2HA GLY 76 19.075 20.541 -6.449 537 H HIS 77 H HIS 77 21.113 18.263 -7.224 538 HA HIS 77 HA HIS 77 21.307 19.078 -9.950 539 1HB HIS 77 2HB HIS 77 23.146 18.205 -8.225 540 2HB HIS 77 1HB HIS 77 22.793 16.674 -9.020 541 HD1 HIS 77 1HD HIS 77 23.330 16.535 -11.610 542 HD2 HIS 77 2HD HIS 77 24.679 19.971 -9.685 543 HE1 HIS 77 1HE HIS 77 24.970 17.600 -13.191 544 HE2 HIS 77 2HE HIS 77 25.733 19.710 -12.038 545 H MET 78 H MET 78 19.862 16.383 -8.330 546 HA MET 78 HA MET 78 18.437 15.587 -10.654 547 1HB MET 78 2HB MET 78 20.324 14.435 -11.437 548 2HB MET 78 1HB MET 78 20.824 13.956 -9.824 549 1HG MET 78 2HG MET 78 19.931 11.978 -10.246 550 2HG MET 78 1HG MET 78 18.350 12.749 -10.155 551 1HE MET 78 1HE MET 78 16.718 12.135 -11.817 552 2HE MET 78 2HE MET 78 17.102 13.771 -12.353 553 3HE MET 78 3HE MET 78 16.917 12.475 -13.537 554 H GLY 79 H GLY 79 19.729 14.369 -7.579 555 1HA GLY 79 1HA GLY 79 18.589 13.733 -5.673 556 2HA GLY 79 2HA GLY 79 17.077 14.104 -6.491 557 H SER 80 H SER 80 15.939 12.512 -7.400 558 HA SER 80 HA SER 80 16.935 9.789 -7.028 559 1HB SER 80 2HB SER 80 14.150 10.369 -7.946 560 2HB SER 80 1HB SER 80 14.739 9.086 -6.889 561 HG SER 80 HG SER 80 15.164 10.789 -5.316 562 H GLY 81 H GLY 81 17.394 8.470 -8.665 563 1HA GLY 81 1HA GLY 81 16.532 8.119 -11.147 564 2HA GLY 81 2HA GLY 81 17.418 9.629 -11.343 565 H GLY 82 H GLY 82 17.907 6.488 -9.742 566 1HA GLY 82 1HA GLY 82 20.731 6.626 -10.540 567 2HA GLY 82 2HA GLY 82 20.076 5.620 -9.257 568 H ASP 83 H ASP 83 18.920 5.985 -12.576 569 HA ASP 83 HA ASP 83 19.691 3.190 -13.067 570 1HB ASP 83 2HB ASP 83 17.096 3.894 -12.802 571 2HB ASP 83 1HB ASP 83 17.317 4.220 -14.520 572 H VAL 84 H VAL 84 19.566 2.764 -15.535 573 HA VAL 84 HA VAL 84 20.552 3.109 -17.550 574 HB VAL 84 HB VAL 84 19.962 6.049 -17.163 575 1HG1 VAL 84 1HG1 VAL 84 21.495 5.049 -19.059 576 2HG1 VAL 84 2HG1 VAL 84 19.938 4.646 -19.788 577 3HG1 VAL 84 3HG1 VAL 84 20.326 6.325 -19.407 578 1HG2 VAL 84 1HG2 VAL 84 17.887 4.965 -16.851 579 2HG2 VAL 84 2HG2 VAL 84 17.899 5.494 -18.533 580 3HG2 VAL 84 3HG2 VAL 84 18.214 3.805 -18.137 581 H MET 85 H MET 85 22.419 2.484 -16.242 582 HA MET 85 HA MET 85 24.673 2.596 -15.907 583 1HB MET 85 2HB MET 85 24.263 4.974 -17.520 584 2HB MET 85 1HB MET 85 25.486 5.241 -16.286 585 1HG MET 85 2HG MET 85 26.947 3.800 -17.222 586 2HG MET 85 1HG MET 85 25.680 2.728 -17.815 587 1HE MET 85 1HE MET 85 27.574 6.331 -19.795 588 2HE MET 85 2HE MET 85 27.714 5.776 -18.127 589 3HE MET 85 3HE MET 85 28.495 4.873 -19.427 590 H VAL 86 H VAL 86 26.238 3.859 -14.462 591 HA VAL 86 HA VAL 86 26.735 5.010 -12.535 592 HB VAL 86 HB VAL 86 24.194 6.089 -12.964 593 1HG1 VAL 86 1HG1 VAL 86 24.379 5.154 -10.099 594 2HG1 VAL 86 2HG1 VAL 86 23.120 6.165 -10.809 595 3HG1 VAL 86 3HG1 VAL 86 23.280 4.480 -11.306 596 1HG2 VAL 86 1HG2 VAL 86 26.465 7.081 -12.322 597 2HG2 VAL 86 2HG2 VAL 86 25.007 7.872 -11.718 598 3HG2 VAL 86 3HG2 VAL 86 25.948 6.824 -10.655 599 H VAL 87 H VAL 87 24.605 2.391 -12.907 600 HA VAL 87 HA VAL 87 24.944 1.479 -10.161 601 HB VAL 87 HB VAL 87 23.753 -0.378 -12.119 602 1HG1 VAL 87 1HG1 VAL 87 22.391 -0.977 -10.333 603 2HG1 VAL 87 2HG1 VAL 87 23.908 -0.534 -9.551 604 3HG1 VAL 87 3HG1 VAL 87 22.555 0.596 -9.555 605 1HG2 VAL 87 1HG2 VAL 87 21.721 1.513 -11.321 606 2HG2 VAL 87 2HG2 VAL 87 22.964 2.294 -12.300 607 3HG2 VAL 87 3HG2 VAL 87 22.104 0.888 -12.924 608 H GLY 88 H GLY 88 27.048 0.926 -9.890 609 1HA GLY 88 1HA GLY 88 28.530 -0.967 -9.896 610 2HA GLY 88 2HA GLY 88 28.010 -1.316 -11.540 611 H GLU 89 H GLU 89 28.414 0.722 -13.035 612 HA GLU 89 HA GLU 89 31.259 1.078 -13.047 613 1HB GLU 89 2HB GLU 89 29.950 2.816 -14.918 614 2HB GLU 89 1HB GLU 89 30.943 1.402 -15.232 615 1HG GLU 89 2HG GLU 89 29.024 0.733 -16.232 616 2HG GLU 89 1HG GLU 89 28.718 0.133 -14.602 617 HA PRO 90 HA PRO 90 31.476 4.922 -10.927 618 1HB PRO 90 2HB PRO 90 33.837 5.675 -12.451 619 2HB PRO 90 1HB PRO 90 33.719 5.137 -10.774 620 1HG PRO 90 2HG PRO 90 34.865 3.642 -12.733 621 2HG PRO 90 1HG PRO 90 34.057 2.937 -11.320 622 1HD PRO 90 2HD PRO 90 33.026 3.294 -14.113 623 2HD PRO 90 1HD PRO 90 32.856 1.905 -13.016 624 H THR 91 H THR 91 29.615 5.176 -12.905 625 HA THR 91 HA THR 91 30.234 7.344 -14.687 626 HB THR 91 HB THR 91 27.548 6.190 -13.892 627 HG1 THR 91 1HG THR 91 28.204 4.564 -15.088 628 1HG2 THR 91 1HG2 THR 91 27.729 7.336 -16.542 629 2HG2 THR 91 2HG2 THR 91 28.102 8.531 -15.301 630 3HG2 THR 91 3HG2 THR 91 26.569 7.660 -15.255 631 H LEU 92 H LEU 92 30.074 9.475 -14.289 632 HA LEU 92 HA LEU 92 29.330 10.301 -11.602 633 1HB LEU 92 2HB LEU 92 31.259 11.118 -13.449 634 2HB LEU 92 1HB LEU 92 30.108 12.441 -13.394 635 HG LEU 92 HG LEU 92 30.602 11.721 -10.714 636 1HD1 LEU 92 1HD1 LEU 92 33.242 12.466 -11.339 637 2HD1 LEU 92 2HD1 LEU 92 32.680 10.965 -10.605 638 3HD1 LEU 92 3HD1 LEU 92 32.848 11.081 -12.355 639 1HD2 LEU 92 1HD2 LEU 92 31.202 14.023 -12.510 640 2HD2 LEU 92 2HD2 LEU 92 30.141 13.935 -11.102 641 3HD2 LEU 92 3HD2 LEU 92 31.891 13.993 -10.886 642 H MET 93 H MET 93 27.043 9.811 -12.001 643 HA MET 93 HA MET 93 25.579 12.167 -12.667 644 1HB MET 93 2HB MET 93 26.083 10.418 -14.807 645 2HB MET 93 1HB MET 93 24.427 10.090 -14.321 646 1HG MET 93 2HG MET 93 25.548 12.788 -15.049 647 2HG MET 93 1HG MET 93 24.534 11.774 -16.076 648 1HE MET 93 1HE MET 93 21.122 12.775 -15.335 649 2HE MET 93 2HE MET 93 22.348 13.423 -16.427 650 3HE MET 93 3HE MET 93 22.238 11.685 -16.156 651 H GLY 94 H GLY 94 23.091 10.915 -13.136 652 1HA GLY 94 1HA GLY 94 21.337 9.947 -12.043 653 2HA GLY 94 2HA GLY 94 22.497 8.745 -11.504 654 H GLY 95 H GLY 95 21.299 8.595 -9.567 655 1HA GLY 95 1HA GLY 95 22.356 10.180 -7.462 656 2HA GLY 95 2HA GLY 95 20.684 10.621 -7.785 657 H GLU 96 H GLU 96 19.390 9.695 -6.344 658 HA GLU 96 HA GLU 96 20.036 7.126 -5.165 659 1HB GLU 96 2HB GLU 96 17.299 8.032 -4.739 660 2HB GLU 96 1HB GLU 96 18.559 7.657 -3.570 661 1HG GLU 96 2HG GLU 96 19.344 9.826 -3.519 662 2HG GLU 96 1HG GLU 96 18.634 10.229 -5.081 663 H PHE 97 H PHE 97 19.383 5.209 -5.894 664 HA PHE 97 HA PHE 97 17.868 5.158 -8.360 665 1HB PHE 97 2HB PHE 97 18.645 2.990 -8.677 666 2HB PHE 97 1HB PHE 97 19.967 3.750 -7.803 667 HD1 PHE 97 1HD PHE 97 18.261 0.834 -8.104 668 HD2 PHE 97 2HD PHE 97 19.504 3.560 -5.085 669 HE1 PHE 97 1HE PHE 97 18.197 -0.979 -6.443 670 HE2 PHE 97 2HE PHE 97 19.430 1.757 -3.416 671 HZ PHE 97 HZ PHE 97 18.781 -0.518 -4.099 672 H GLY 98 H GLY 98 16.153 3.425 -8.620 673 1HA GLY 98 1HA GLY 98 14.276 2.275 -7.692 674 2HA GLY 98 2HA GLY 98 14.499 3.183 -6.200 675 H ASP 99 H ASP 99 14.952 5.186 -8.799 676 HA ASP 99 HA ASP 99 12.649 6.740 -8.263 677 1HB ASP 99 2HB ASP 99 14.366 8.047 -9.056 678 2HB ASP 99 1HB ASP 99 14.907 6.831 -10.206 679 H GLU 100 H GLU 100 13.230 4.080 -10.350 680 HA GLU 100 HA GLU 100 11.144 4.564 -12.237 681 1HB GLU 100 2HB GLU 100 11.855 1.757 -11.636 682 2HB GLU 100 1HB GLU 100 11.737 2.583 -13.182 683 1HG GLU 100 2HG GLU 100 13.972 2.219 -13.122 684 2HG GLU 100 1HG GLU 100 13.921 3.782 -12.305 685 H ASP 101 H ASP 101 11.174 3.573 -8.975 686 HA ASP 101 HA ASP 101 8.456 2.465 -9.208 687 1HB ASP 101 2HB ASP 101 10.527 1.295 -7.984 688 2HB ASP 101 1HB ASP 101 9.962 2.288 -6.645 689 H GLU 102 H GLU 102 9.474 5.345 -9.074 690 HA GLU 102 HA GLU 102 8.630 6.424 -6.595 691 1HB GLU 102 2HB GLU 102 9.566 7.427 -9.168 692 2HB GLU 102 1HB GLU 102 8.345 8.461 -8.441 693 1HG GLU 102 2HG GLU 102 10.651 7.510 -6.810 694 2HG GLU 102 1HG GLU 102 10.852 8.854 -7.933 695 H ARG 103 H ARG 103 6.861 8.073 -6.460 696 HA ARG 103 HA ARG 103 4.657 8.602 -6.418 697 1HB ARG 103 2HB ARG 103 5.080 7.759 -9.244 698 2HB ARG 103 1HB ARG 103 3.424 7.970 -8.692 699 1HG ARG 103 2HG ARG 103 3.937 10.044 -9.552 700 2HG ARG 103 1HG ARG 103 4.256 10.256 -7.829 701 1HD ARG 103 2HD ARG 103 6.584 9.265 -9.235 702 2HD ARG 103 1HD ARG 103 6.001 10.781 -9.923 703 HE ARG 103 HE ARG 103 7.134 10.367 -7.279 704 1HH1 ARG 103 2HH1 ARG 103 5.387 12.513 -9.443 705 2HH1 ARG 103 1HH1 ARG 103 5.753 13.946 -8.523 706 1HH2 ARG 103 2HH2 ARG 103 7.578 12.248 -6.048 707 2HH2 ARG 103 1HH2 ARG 103 6.966 13.790 -6.579 708 H LEU 104 H LEU 104 4.628 6.832 -4.798 709 HA LEU 104 HA LEU 104 2.944 4.592 -5.709 710 1HB LEU 104 2HB LEU 104 5.349 4.550 -4.295 711 2HB LEU 104 1HB LEU 104 4.122 4.254 -3.082 712 HG LEU 104 HG LEU 104 5.281 2.290 -4.449 713 1HD1 LEU 104 1HD1 LEU 104 3.913 1.568 -2.780 714 2HD1 LEU 104 2HD1 LEU 104 2.566 2.587 -3.290 715 3HD1 LEU 104 3HD1 LEU 104 2.934 1.104 -4.173 716 1HD2 LEU 104 1HD2 LEU 104 3.616 1.532 -6.195 717 2HD2 LEU 104 2HD2 LEU 104 2.991 3.180 -6.177 718 3HD2 LEU 104 3HD2 LEU 104 4.662 2.877 -6.647 719 H ILE 105 H ILE 105 3.456 6.964 -3.127 720 HA ILE 105 HA ILE 105 1.000 6.175 -1.820 721 HB ILE 105 HB ILE 105 3.078 8.250 -1.178 722 1HG1 ILE 105 2HG1 ILE 105 2.014 5.909 0.410 723 1HG2 ILE 105 1HG2 ILE 105 1.778 8.796 0.853 724 2HG2 ILE 105 2HG2 ILE 105 0.968 9.297 -0.630 725 3HG2 ILE 105 3HG2 ILE 105 0.429 7.846 0.219 726 1HD1 ILE 105 1HD1 ILE 105 4.482 7.586 0.777 727 2HD1 ILE 105 2HD1 ILE 105 3.076 7.529 1.839 728 3HD1 ILE 105 3HD1 ILE 105 4.108 6.110 1.668 729 H THR 106 H THR 106 -0.897 6.877 -2.333 730 HA THR 106 HA THR 106 -1.234 9.657 -3.206 731 HB THR 106 HB THR 106 -2.771 7.251 -4.232 732 HG1 THR 106 1HG THR 106 -1.197 7.344 -5.661 733 1HG2 THR 106 1HG2 THR 106 -3.566 10.006 -4.000 734 2HG2 THR 106 2HG2 THR 106 -4.487 8.627 -4.605 735 3HG2 THR 106 3HG2 THR 106 -3.451 9.545 -5.699 736 H ARG 107 H ARG 107 -1.900 10.475 -1.279 737 HA ARG 107 HA ARG 107 -3.883 8.902 0.217 738 1HB ARG 107 2HB ARG 107 -2.682 9.239 2.079 739 2HB ARG 107 1HB ARG 107 -1.395 9.772 1.011 740 1HG ARG 107 2HG ARG 107 -3.423 11.745 1.956 741 2HG ARG 107 1HG ARG 107 -2.127 11.234 3.039 742 1HD ARG 107 2HD ARG 107 -0.740 11.743 0.764 743 2HD ARG 107 1HD ARG 107 -2.037 12.932 0.642 744 HE ARG 107 HE ARG 107 -1.068 13.127 3.222 745 1HH1 ARG 107 2HH1 ARG 107 0.212 13.499 -0.016 746 2HH1 ARG 107 1HH1 ARG 107 1.417 14.661 0.448 747 1HH2 ARG 107 2HH2 ARG 107 0.507 14.674 3.842 748 2HH2 ARG 107 1HH2 ARG 107 1.565 15.356 2.635 749 H LEU 108 H LEU 108 -5.520 9.978 1.404 750 HA LEU 108 HA LEU 108 -5.982 12.782 0.831 751 1HB LEU 108 2HB LEU 108 -7.306 10.799 -0.659 752 2HB LEU 108 1HB LEU 108 -8.477 11.372 0.514 753 HG LEU 108 HG LEU 108 -7.360 13.705 -0.485 754 1HD1 LEU 108 1HD1 LEU 108 -8.105 12.832 -3.023 755 2HD1 LEU 108 2HD1 LEU 108 -6.487 13.273 -2.478 756 3HD1 LEU 108 3HD1 LEU 108 -7.011 11.591 -2.409 757 1HD2 LEU 108 1HD2 LEU 108 -9.564 13.880 -1.678 758 2HD2 LEU 108 2HD2 LEU 108 -9.896 12.227 -1.160 759 3HD2 LEU 108 3HD2 LEU 108 -9.670 13.499 0.040 760 H GLU 109 H GLU 109 -5.978 13.452 2.856 761 HA GLU 109 HA GLU 109 -7.549 11.952 4.838 762 1HB GLU 109 2HB GLU 109 -6.007 13.072 6.511 763 2HB GLU 109 1HB GLU 109 -5.254 11.882 5.456 764 1HG GLU 109 2HG GLU 109 -4.813 14.075 4.004 765 2HG GLU 109 1HG GLU 109 -4.868 14.802 5.608 766 H ASN 110 H ASN 110 -8.997 13.006 6.107 767 HA ASN 110 HA ASN 110 -10.303 15.232 5.104 768 1HB ASN 110 2HB ASN 110 -10.714 13.404 7.177 769 2HB ASN 110 1HB ASN 110 -10.708 14.980 7.965 770 1HD2 ASN 110 1HD2 ASN 110 -12.425 16.308 7.718 771 2HD2 ASN 110 2HD2 ASN 110 -13.824 15.928 6.759 772 H THR 111 H THR 111 -8.416 15.150 8.142 773 HA THR 111 HA THR 111 -8.429 18.006 8.310 774 HB THR 111 HB THR 111 -6.544 16.561 10.036 775 HG1 THR 111 1HG THR 111 -8.991 15.986 10.979 776 1HG2 THR 111 1HG2 THR 111 -8.127 17.710 11.747 777 2HG2 THR 111 2HG2 THR 111 -8.763 18.551 10.333 778 3HG2 THR 111 3HG2 THR 111 -7.059 18.708 10.760 779 H GLN 112 H GLN 112 -7.323 17.851 6.002 780 HA GLN 112 HA GLN 112 -4.801 19.048 6.267 781 1HB GLN 112 2HB GLN 112 -4.395 16.432 6.539 782 2HB GLN 112 1HB GLN 112 -4.458 16.481 4.784 783 1HG GLN 112 2HG GLN 112 -2.709 18.451 6.126 784 2HG GLN 112 1HG GLN 112 -2.204 16.763 6.158 785 1HE2 GLN 112 1HE2 GLN 112 -2.118 15.643 4.058 786 2HE2 GLN 112 2HE2 GLN 112 -1.621 16.562 2.668 787 H PHE 113 H PHE 113 -6.668 16.990 4.055 788 HA PHE 113 HA PHE 113 -5.996 18.656 1.788 789 1HB PHE 113 2HB PHE 113 -7.465 16.095 2.206 790 2HB PHE 113 1HB PHE 113 -7.866 17.039 0.775 791 HD1 PHE 113 1HD PHE 113 -6.492 16.998 -1.112 792 HD2 PHE 113 2HD PHE 113 -5.062 15.417 2.570 793 HE1 PHE 113 1HE PHE 113 -4.537 16.063 -2.277 794 HE2 PHE 113 2HE PHE 113 -3.104 14.483 1.414 795 HZ PHE 113 HZ PHE 113 -2.839 14.805 -1.014 796 H ASP 114 H ASP 114 -7.756 19.500 0.384 797 HA ASP 114 HA ASP 114 -9.502 21.173 1.902 798 1HB ASP 114 2HB ASP 114 -8.458 21.868 -0.249 799 2HB ASP 114 1HB ASP 114 -9.469 20.692 -1.087 800 H ALA 115 H ALA 115 -9.972 18.440 -0.281 801 HA ALA 115 HA ALA 115 -12.817 18.327 0.266 802 1HB ALA 115 1HB ALA 115 -12.721 17.483 -1.797 803 2HB ALA 115 2HB ALA 115 -10.990 17.174 -1.678 804 3HB ALA 115 3HB ALA 115 -12.141 15.996 -1.049 805 H ALA 116 H ALA 116 -13.818 16.354 1.072 806 HA ALA 116 HA ALA 116 -12.342 15.316 3.362 807 1HB ALA 116 1HB ALA 116 -14.899 16.142 3.124 808 2HB ALA 116 2HB ALA 116 -15.101 14.405 2.883 809 3HB ALA 116 3HB ALA 116 -14.345 15.008 4.355 810 H ASN 117 H ASN 117 -13.023 12.905 3.867 811 HA ASN 117 HA ASN 117 -13.126 11.243 1.499 812 1HB ASN 117 2HB ASN 117 -10.636 11.835 2.241 813 2HB ASN 117 1HB ASN 117 -10.931 10.528 3.385 814 1HD2 ASN 117 1HD2 ASN 117 -9.022 9.878 1.859 815 2HD2 ASN 117 2HD2 ASN 117 -9.477 8.874 0.522 816 H GLY 118 H GLY 118 -13.085 8.845 2.227 817 1HA GLY 118 1HA GLY 118 -13.913 7.170 3.622 818 2HA GLY 118 2HA GLY 118 -14.142 8.371 4.888 819 H ILE 119 H ILE 119 -15.864 9.997 4.431 820 HA ILE 119 HA ILE 119 -18.139 8.769 3.009 821 HB ILE 119 HB ILE 119 -18.513 10.888 5.111 822 1HG1 ILE 119 2HG1 ILE 119 -17.226 8.964 6.103 823 1HG2 ILE 119 1HG2 ILE 119 -20.403 10.478 3.706 824 2HG2 ILE 119 2HG2 ILE 119 -20.269 8.733 3.943 825 3HG2 ILE 119 3HG2 ILE 119 -20.740 9.772 5.289 826 1HD1 ILE 119 1HD1 ILE 119 -18.946 7.349 4.649 827 2HD1 ILE 119 2HD1 ILE 119 -17.808 6.841 5.897 828 3HD1 ILE 119 3HD1 ILE 119 -19.483 7.192 6.319 829 H ASP 120 H ASP 120 -16.541 9.883 1.400 830 HA ASP 120 HA ASP 120 -16.783 12.744 1.230 831 1HB ASP 120 2HB ASP 120 -14.744 12.356 0.365 832 2HB ASP 120 1HB ASP 120 -15.102 10.657 0.094 833 H ASP 121 H ASP 121 -18.102 13.895 -0.015 834 HA ASP 121 HA ASP 121 -20.058 12.430 -1.640 835 1HB ASP 121 2HB ASP 121 -21.071 13.834 0.017 836 2HB ASP 121 1HB ASP 121 -20.077 15.209 -0.451 837 H GLU 122 H GLU 122 -19.505 12.241 -3.693 838 HA GLU 122 HA GLU 122 -18.898 14.629 -5.224 839 1HB GLU 122 2HB GLU 122 -16.955 12.449 -4.731 840 2HB GLU 122 1HB GLU 122 -17.118 12.952 -6.406 841 1HG GLU 122 2HG GLU 122 -16.377 14.693 -4.066 842 2HG GLU 122 1HG GLU 122 -15.315 14.148 -5.363 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -23.912 5.523 0.361 2 2H GLY 1 2H GLY 1 -25.119 4.406 -0.046 3 3H GLY 1 3H GLY 1 -25.444 6.072 -0.108 4 1HA GLY 1 2HA GLY 1 -25.036 4.932 -2.304 5 2HA GLY 1 1HA GLY 1 -24.133 6.406 -1.983 6 H SER 2 H SER 2 -22.559 5.701 -3.517 7 HA SER 2 HA SER 2 -20.993 3.355 -2.766 8 1HB SER 2 2HB SER 2 -20.723 5.189 -5.160 9 2HB SER 2 1HB SER 2 -19.838 3.683 -4.904 10 HG SER 2 HG SER 2 -22.147 2.807 -4.680 11 H LEU 3 H LEU 3 -18.983 3.429 -1.963 12 HA LEU 3 HA LEU 3 -17.636 6.026 -1.710 13 1HB LEU 3 2HB LEU 3 -19.028 5.139 0.374 14 2HB LEU 3 1HB LEU 3 -17.597 4.157 0.616 15 HG LEU 3 HG LEU 3 -16.222 6.192 0.735 16 1HD1 LEU 3 1HD1 LEU 3 -18.657 7.414 -0.247 17 2HD1 LEU 3 2HD1 LEU 3 -18.043 8.224 1.195 18 3HD1 LEU 3 3HD1 LEU 3 -17.009 8.040 -0.221 19 1HD2 LEU 3 1HD2 LEU 3 -16.864 5.409 2.826 20 2HD2 LEU 3 2HD2 LEU 3 -17.329 7.109 2.858 21 3HD2 LEU 3 3HD2 LEU 3 -18.550 5.866 2.587 22 H SER 4 H SER 4 -15.314 5.618 -0.834 23 HA SER 4 HA SER 4 -14.142 3.609 -2.515 24 1HB SER 4 2HB SER 4 -12.930 5.569 -0.560 25 2HB SER 4 1HB SER 4 -11.984 4.476 -1.570 26 HG SER 4 HG SER 4 -12.769 6.831 -2.243 27 H TRP 5 H TRP 5 -15.334 1.874 -1.411 28 HA TRP 5 HA TRP 5 -14.621 1.095 1.232 29 1HB TRP 5 2HB TRP 5 -16.212 -0.058 -1.007 30 2HB TRP 5 1HB TRP 5 -15.671 -1.150 0.267 31 HD1 TRP 5 HD TRP 5 -17.924 1.869 -0.304 32 HE1 TRP 5 1HE TRP 5 -19.592 2.034 1.670 33 HE3 TRP 5 3HE TRP 5 -15.937 -1.725 2.644 34 HZ2 TRP 5 2HZ TRP 5 -19.962 0.763 4.196 35 HZ3 TRP 5 3HZ TRP 5 -16.953 -2.212 4.823 36 HH2 TRP 5 HH TRP 5 -18.937 -0.987 5.589 37 H LYS 6 H LYS 6 -14.335 -0.992 -1.592 38 HA LYS 6 HA LYS 6 -12.738 -2.486 -2.234 39 1HB LYS 6 2HB LYS 6 -11.238 -0.046 -1.434 40 2HB LYS 6 1HB LYS 6 -10.300 -1.508 -1.695 41 1HG LYS 6 2HG LYS 6 -10.615 0.163 -3.629 42 2HG LYS 6 1HG LYS 6 -10.775 -1.565 -3.957 43 1HD LYS 6 2HD LYS 6 -12.615 -0.714 -5.055 44 2HD LYS 6 1HD LYS 6 -13.311 -1.119 -3.483 45 1HE LYS 6 2HE LYS 6 -14.082 0.991 -3.530 46 2HE LYS 6 1HE LYS 6 -12.442 1.426 -3.040 47 1HZ LYS 6 1HZ LYS 6 -12.614 1.127 -5.864 48 2HZ LYS 6 2HZ LYS 6 -12.131 2.477 -4.955 49 3HZ LYS 6 3HZ LYS 6 -13.771 2.242 -5.318 50 H ARG 7 H ARG 7 -10.094 -2.157 -0.514 51 HA ARG 7 HA ARG 7 -10.786 -2.975 2.078 52 1HB ARG 7 2HB ARG 7 -9.559 -5.246 1.912 53 2HB ARG 7 1HB ARG 7 -11.237 -5.162 1.398 54 1HG ARG 7 2HG ARG 7 -10.264 -6.403 -0.267 55 2HG ARG 7 1HG ARG 7 -10.252 -4.782 -0.951 56 1HD ARG 7 2HD ARG 7 -8.133 -6.128 -1.234 57 2HD ARG 7 1HD ARG 7 -7.949 -4.515 -0.549 58 HE ARG 7 HE ARG 7 -7.580 -5.515 1.595 59 1HH1 ARG 7 2HH1 ARG 7 -7.673 -7.781 -1.078 60 2HH1 ARG 7 1HH1 ARG 7 -6.750 -8.999 -0.241 61 1HH2 ARG 7 2HH2 ARG 7 -6.370 -7.095 2.688 62 2HH2 ARG 7 1HH2 ARG 7 -6.039 -8.620 1.923 63 H CYS 8 H CYS 8 -8.985 -3.140 3.430 64 HA CYS 8 HA CYS 8 -6.664 -1.711 2.545 65 1HB CYS 8 2HB CYS 8 -7.568 -1.465 4.819 66 2HB CYS 8 1HB CYS 8 -7.267 -3.175 5.116 67 H ALA 9 H ALA 9 -4.757 -2.544 1.939 68 HA ALA 9 HA ALA 9 -4.534 -5.452 1.730 69 1HB ALA 9 1HB ALA 9 -2.390 -4.763 0.453 70 2HB ALA 9 2HB ALA 9 -3.960 -4.494 -0.307 71 3HB ALA 9 3HB ALA 9 -3.106 -3.152 0.454 72 H GLY 10 H GLY 10 -3.930 -3.207 3.990 73 1HA GLY 10 1HA GLY 10 -1.290 -4.185 4.775 74 2HA GLY 10 2HA GLY 10 -2.153 -2.831 5.488 75 H CYS 11 H CYS 11 -4.465 -3.741 6.354 76 HA CYS 11 HA CYS 11 -3.652 -5.843 8.228 77 1HB CYS 11 2HB CYS 11 -5.437 -5.013 9.705 78 2HB CYS 11 1HB CYS 11 -4.259 -3.767 9.330 79 H GLY 12 H GLY 12 -5.904 -5.048 5.759 80 1HA GLY 12 1HA GLY 12 -7.169 -6.601 4.530 81 2HA GLY 12 2HA GLY 12 -6.937 -7.772 5.822 82 H GLY 13 H GLY 13 -9.099 -5.595 4.425 83 1HA GLY 13 1HA GLY 13 -11.344 -6.223 5.722 84 2HA GLY 13 2HA GLY 13 -10.592 -5.077 6.821 85 H LYS 14 H LYS 14 -13.015 -5.024 5.116 86 HA LYS 14 HA LYS 14 -12.771 -3.137 3.050 87 1HB LYS 14 2HB LYS 14 -14.938 -4.281 4.674 88 2HB LYS 14 1HB LYS 14 -15.268 -2.679 4.032 89 1HG LYS 14 2HG LYS 14 -15.900 -3.676 2.154 90 2HG LYS 14 1HG LYS 14 -14.201 -4.071 1.882 91 1HD LYS 14 2HD LYS 14 -15.676 -5.866 3.698 92 2HD LYS 14 1HD LYS 14 -16.159 -5.913 2.001 93 1HE LYS 14 2HE LYS 14 -14.180 -6.800 1.323 94 2HE LYS 14 1HE LYS 14 -13.257 -5.962 2.569 95 1HZ LYS 14 1HZ LYS 14 -13.387 -8.413 2.850 96 2HZ LYS 14 2HZ LYS 14 -15.052 -8.259 3.125 97 3HZ LYS 14 3HZ LYS 14 -13.946 -7.536 4.189 98 H ILE 15 H ILE 15 -12.228 -1.047 3.130 99 HA ILE 15 HA ILE 15 -11.966 0.177 5.735 100 HB ILE 15 HB ILE 15 -11.267 1.649 3.235 101 1HG1 ILE 15 2HG1 ILE 15 -9.682 -0.656 4.394 102 1HG2 ILE 15 1HG2 ILE 15 -9.800 2.787 4.573 103 2HG2 ILE 15 2HG2 ILE 15 -11.033 2.359 5.761 104 3HG2 ILE 15 3HG2 ILE 15 -9.547 1.415 5.652 105 1HD1 ILE 15 1HD1 ILE 15 -7.850 0.375 3.703 106 2HD1 ILE 15 2HD1 ILE 15 -8.455 0.166 2.061 107 3HD1 ILE 15 3HD1 ILE 15 -8.778 1.662 2.935 108 H ALA 16 H ALA 16 -12.611 2.167 2.957 109 HA ALA 16 HA ALA 16 -14.087 3.852 2.592 110 1HB ALA 16 1HB ALA 16 -15.811 2.227 2.352 111 2HB ALA 16 2HB ALA 16 -15.943 2.020 4.098 112 3HB ALA 16 3HB ALA 16 -16.455 3.532 3.349 113 H ASP 17 H ASP 17 -12.317 3.840 4.861 114 HA ASP 17 HA ASP 17 -13.661 5.080 7.086 115 1HB ASP 17 2HB ASP 17 -10.935 4.176 6.435 116 2HB ASP 17 1HB ASP 17 -10.997 5.627 7.429 117 H ARG 18 H ARG 18 -12.898 7.233 7.878 118 HA ARG 18 HA ARG 18 -13.109 9.216 5.809 119 1HB ARG 18 2HB ARG 18 -14.005 9.576 8.094 120 2HB ARG 18 1HB ARG 18 -12.365 9.525 8.728 121 1HG ARG 18 2HG ARG 18 -11.858 11.490 7.224 122 2HG ARG 18 1HG ARG 18 -13.596 11.602 6.942 123 1HD ARG 18 2HD ARG 18 -13.151 11.372 9.739 124 2HD ARG 18 1HD ARG 18 -12.087 12.630 9.110 125 HE ARG 18 HE ARG 18 -14.761 12.879 8.133 126 1HH1 ARG 18 2HH1 ARG 18 -12.675 13.534 10.867 127 2HH1 ARG 18 1HH1 ARG 18 -13.646 14.855 11.451 128 1HH2 ARG 18 2HH2 ARG 18 -16.020 14.663 8.880 129 2HH2 ARG 18 1HH2 ARG 18 -15.520 15.517 10.309 130 H PHE 19 H PHE 19 -10.617 7.657 7.643 131 HA PHE 19 HA PHE 19 -8.559 9.186 6.189 132 1HB PHE 19 2HB PHE 19 -8.815 8.294 8.995 133 2HB PHE 19 1HB PHE 19 -7.216 8.109 8.278 134 HD1 PHE 19 1HD PHE 19 -9.860 10.740 8.089 135 HD2 PHE 19 2HD PHE 19 -5.805 9.774 8.935 136 HE1 PHE 19 1HE PHE 19 -9.394 13.111 8.534 137 HE2 PHE 19 2HE PHE 19 -5.329 12.146 9.378 138 HZ PHE 19 HZ PHE 19 -7.121 13.818 9.176 139 H LEU 20 H LEU 20 -8.276 7.805 4.451 140 HA LEU 20 HA LEU 20 -7.056 5.242 5.139 141 1HB LEU 20 2HB LEU 20 -8.101 4.468 2.823 142 2HB LEU 20 1HB LEU 20 -8.917 4.223 4.349 143 HG LEU 20 HG LEU 20 -10.442 6.024 3.917 144 1HD1 LEU 20 1HD1 LEU 20 -9.412 6.643 1.221 145 2HD1 LEU 20 2HD1 LEU 20 -10.180 7.691 2.415 146 3HD1 LEU 20 3HD1 LEU 20 -8.476 7.268 2.579 147 1HD2 LEU 20 1HD2 LEU 20 -10.119 3.798 2.129 148 2HD2 LEU 20 2HD2 LEU 20 -11.600 4.539 2.735 149 3HD2 LEU 20 3HD2 LEU 20 -10.835 5.163 1.272 150 H LEU 21 H LEU 21 -6.054 4.308 3.021 151 HA LEU 21 HA LEU 21 -4.753 6.469 1.501 152 1HB LEU 21 2HB LEU 21 -3.443 5.025 3.432 153 2HB LEU 21 1HB LEU 21 -3.138 4.064 2.001 154 HG LEU 21 HG LEU 21 -2.677 6.916 1.589 155 1HD1 LEU 21 1HD1 LEU 21 -1.678 7.292 3.553 156 2HD1 LEU 21 2HD1 LEU 21 -1.562 5.574 3.935 157 3HD1 LEU 21 3HD1 LEU 21 -0.362 6.327 2.883 158 1HD2 LEU 21 1HD2 LEU 21 -0.372 5.464 1.116 159 2HD2 LEU 21 2HD2 LEU 21 -1.673 4.328 0.763 160 3HD2 LEU 21 3HD2 LEU 21 -1.611 5.882 -0.069 161 H TYR 22 H TYR 22 -3.836 5.664 -0.531 162 HA TYR 22 HA TYR 22 -4.918 3.111 -1.441 163 1HB TYR 22 2HB TYR 22 -4.955 5.323 -3.439 164 2HB TYR 22 1HB TYR 22 -5.973 3.898 -3.327 165 HD1 TYR 22 1HD TYR 22 -8.011 3.923 -2.045 166 HD2 TYR 22 2HD TYR 22 -5.514 7.356 -2.174 167 HE1 TYR 22 1HE TYR 22 -9.848 5.277 -1.143 168 HE2 TYR 22 2HE TYR 22 -7.337 8.725 -1.265 169 HH TYR 22 HH TYR 22 -9.355 8.533 -0.048 170 H ALA 23 H ALA 23 -3.451 1.976 -2.626 171 HA ALA 23 HA ALA 23 -1.153 3.376 -3.721 172 1HB ALA 23 1HB ALA 23 -1.056 1.634 -1.318 173 2HB ALA 23 2HB ALA 23 0.280 1.545 -2.465 174 3HB ALA 23 3HB ALA 23 -0.126 3.082 -1.701 175 H MET 24 H MET 24 -1.183 2.689 -5.720 176 HA MET 24 HA MET 24 -1.151 1.356 -7.552 177 1HB MET 24 2HB MET 24 0.153 -0.259 -5.467 178 2HB MET 24 1HB MET 24 -0.491 -1.191 -6.811 179 1HG MET 24 2HG MET 24 0.846 0.971 -7.979 180 2HG MET 24 1HG MET 24 1.888 0.420 -6.666 181 1HE MET 24 1HE MET 24 0.229 -0.152 -9.929 182 2HE MET 24 2HE MET 24 1.931 0.028 -10.355 183 3HE MET 24 3HE MET 24 1.102 -1.498 -10.661 184 H ASP 25 H ASP 25 -3.565 1.798 -7.013 185 HA ASP 25 HA ASP 25 -5.687 1.136 -7.401 186 1HB ASP 25 2HB ASP 25 -4.158 -1.132 -8.389 187 2HB ASP 25 1HB ASP 25 -5.761 -1.589 -7.820 188 H SER 26 H SER 26 -3.870 -0.852 -5.152 189 HA SER 26 HA SER 26 -6.308 -1.711 -3.821 190 1HB SER 26 2HB SER 26 -3.613 -2.188 -2.628 191 2HB SER 26 1HB SER 26 -5.014 -3.259 -2.711 192 HG SER 26 HG SER 26 -4.094 -2.666 -5.185 193 H TYR 27 H TYR 27 -6.848 -1.164 -1.674 194 HA TYR 27 HA TYR 27 -5.892 1.499 -0.956 195 1HB TYR 27 2HB TYR 27 -8.328 -0.055 -0.081 196 2HB TYR 27 1HB TYR 27 -7.878 1.508 0.585 197 HD1 TYR 27 1HD TYR 27 -10.378 1.767 -0.254 198 HD2 TYR 27 2HD TYR 27 -6.977 1.541 -2.819 199 HE1 TYR 27 1HE TYR 27 -11.668 2.841 -2.043 200 HE2 TYR 27 2HE TYR 27 -8.271 2.608 -4.619 201 HH TYR 27 HH TYR 27 -10.496 4.301 -4.551 202 H TRP 28 H TRP 28 -5.656 1.987 1.346 203 HA TRP 28 HA TRP 28 -4.735 -0.231 3.016 204 1HB TRP 28 2HB TRP 28 -3.025 2.134 2.198 205 2HB TRP 28 1HB TRP 28 -2.608 1.004 3.475 206 HD1 TRP 28 HD TRP 28 -3.071 1.065 -0.372 207 HE1 TRP 28 1HE TRP 28 -1.540 -0.744 -1.377 208 HE3 TRP 28 3HE TRP 28 -1.334 -1.027 3.956 209 HZ2 TRP 28 2HZ TRP 28 0.190 -2.768 -0.438 210 HZ3 TRP 28 3HZ TRP 28 0.233 -2.903 3.809 211 HH2 TRP 28 HH TRP 28 0.973 -3.758 1.654 212 H HIS 29 H HIS 29 -3.819 0.857 5.104 213 HA HIS 29 HA HIS 29 -5.473 3.181 5.836 214 1HB HIS 29 2HB HIS 29 -4.280 0.991 7.528 215 2HB HIS 29 1HB HIS 29 -4.644 2.569 8.220 216 HD2 HIS 29 2HD HIS 29 -7.474 3.291 7.881 217 HE1 HIS 29 1HE HIS 29 -8.585 -0.800 7.898 218 HE2 HIS 29 2HE HIS 29 -9.408 1.589 8.231 219 H SER 30 H SER 30 -4.177 4.824 7.160 220 HA SER 30 HA SER 30 -1.740 5.313 5.756 221 1HB SER 30 2HB SER 30 -1.612 7.169 7.672 222 2HB SER 30 1HB SER 30 -2.676 7.328 6.280 223 HG SER 30 HG SER 30 -3.517 7.589 8.591 224 H ARG 31 H ARG 31 -2.507 3.598 8.611 225 HA ARG 31 HA ARG 31 0.266 3.666 9.551 226 1HB ARG 31 2HB ARG 31 -1.717 3.812 11.151 227 2HB ARG 31 1HB ARG 31 -2.006 2.115 10.789 228 1HG ARG 31 2HG ARG 31 -0.767 2.189 12.803 229 2HG ARG 31 1HG ARG 31 0.347 1.651 11.542 230 1HD ARG 31 2HD ARG 31 0.638 4.378 11.475 231 2HD ARG 31 1HD ARG 31 0.395 4.063 13.194 232 HE ARG 31 HE ARG 31 2.325 2.340 11.898 233 1HH1 ARG 31 2HH1 ARG 31 1.845 5.355 13.640 234 2HH1 ARG 31 1HH1 ARG 31 3.496 5.431 14.200 235 1HH2 ARG 31 2HH2 ARG 31 4.471 2.439 12.649 236 2HH2 ARG 31 1HH2 ARG 31 4.972 3.753 13.672 237 H CYS 32 H CYS 32 -2.021 1.641 7.881 238 HA CYS 32 HA CYS 32 -0.409 -0.741 8.040 239 1HB CYS 32 2HB CYS 32 -2.734 -0.108 6.208 240 2HB CYS 32 1HB CYS 32 -2.046 -1.702 6.507 241 H LEU 33 H LEU 33 -0.470 2.092 6.242 242 HA LEU 33 HA LEU 33 1.100 1.189 3.975 243 1HB LEU 33 2HB LEU 33 -0.371 3.471 4.608 244 2HB LEU 33 1HB LEU 33 1.287 4.006 4.749 245 HG LEU 33 HG LEU 33 0.044 4.338 2.516 246 1HD1 LEU 33 1HD1 LEU 33 2.284 3.389 1.366 247 2HD1 LEU 33 2HD1 LEU 33 2.154 4.941 2.202 248 3HD1 LEU 33 3HD1 LEU 33 2.797 3.534 3.051 249 1HD2 LEU 33 1HD2 LEU 33 0.260 2.534 0.925 250 2HD2 LEU 33 2HD2 LEU 33 0.856 1.465 2.196 251 3HD2 LEU 33 3HD2 LEU 33 -0.800 2.072 2.262 252 H LYS 34 H LYS 34 2.576 -0.010 5.368 253 HA LYS 34 HA LYS 34 4.404 1.686 6.928 254 1HB LYS 34 2HB LYS 34 4.186 0.310 8.725 255 2HB LYS 34 1HB LYS 34 2.634 -0.027 7.979 256 1HG LYS 34 2HG LYS 34 4.957 -1.725 7.225 257 2HG LYS 34 1HG LYS 34 4.220 -1.956 8.810 258 1HD LYS 34 2HD LYS 34 2.691 -3.238 7.829 259 2HD LYS 34 1HD LYS 34 2.084 -1.796 7.012 260 1HE LYS 34 2HE LYS 34 4.289 -2.516 5.512 261 2HE LYS 34 1HE LYS 34 3.562 -4.063 5.949 262 1HZ LYS 34 1HZ LYS 34 1.771 -3.679 4.679 263 2HZ LYS 34 2HZ LYS 34 2.786 -2.590 3.857 264 3HZ LYS 34 3HZ LYS 34 1.708 -2.026 5.041 265 H CYS 35 H CYS 35 6.487 0.767 7.408 266 HA CYS 35 HA CYS 35 7.839 -0.232 5.085 267 1HB CYS 35 2HB CYS 35 8.516 1.264 7.285 268 2HB CYS 35 1HB CYS 35 9.212 -0.297 7.684 269 H SER 36 H SER 36 9.342 -2.092 5.289 270 HA SER 36 HA SER 36 8.214 -4.257 6.949 271 1HB SER 36 2HB SER 36 10.306 -4.685 4.825 272 2HB SER 36 1HB SER 36 9.154 -5.842 5.492 273 HG SER 36 HG SER 36 8.098 -3.614 4.209 274 H SER 37 H SER 37 10.210 -1.824 7.193 275 HA SER 37 HA SER 37 12.298 -3.323 8.624 276 1HB SER 37 2HB SER 37 13.034 -0.623 7.770 277 2HB SER 37 1HB SER 37 13.898 -2.147 7.559 278 HG SER 37 HG SER 37 11.941 -0.957 5.908 279 H CYS 38 H CYS 38 11.490 0.156 8.549 280 HA CYS 38 HA CYS 38 11.750 0.275 11.403 281 1HB CYS 38 2HB CYS 38 11.441 2.656 11.178 282 2HB CYS 38 1HB CYS 38 12.527 2.107 9.910 283 H GLN 39 H GLN 39 9.163 0.009 9.149 284 HA GLN 39 HA GLN 39 6.913 -0.162 9.326 285 1HB GLN 39 2HB GLN 39 7.662 -1.086 12.101 286 2HB GLN 39 1HB GLN 39 6.034 -1.195 11.435 287 1HG GLN 39 2HG GLN 39 6.633 -2.820 9.902 288 2HG GLN 39 1HG GLN 39 8.344 -2.405 9.977 289 1HE2 GLN 39 1HE2 GLN 39 6.493 -4.847 10.534 290 2HE2 GLN 39 2HE2 GLN 39 7.183 -5.507 11.984 291 H ALA 40 H ALA 40 7.926 2.414 9.709 292 HA ALA 40 HA ALA 40 6.469 3.601 11.908 293 1HB ALA 40 1HB ALA 40 7.409 5.539 10.029 294 2HB ALA 40 2HB ALA 40 7.972 5.226 11.670 295 3HB ALA 40 3HB ALA 40 8.679 4.348 10.312 296 H GLN 41 H GLN 41 5.780 5.978 10.376 297 HA GLN 41 HA GLN 41 3.331 4.964 9.135 298 1HB GLN 41 2HB GLN 41 3.245 6.748 10.936 299 2HB GLN 41 1HB GLN 41 3.991 7.837 9.773 300 1HG GLN 41 2HG GLN 41 2.025 8.280 8.877 301 2HG GLN 41 1HG GLN 41 1.763 6.571 8.539 302 1HE2 GLN 41 1HE2 GLN 41 -0.125 5.954 9.254 303 2HE2 GLN 41 2HE2 GLN 41 -0.879 6.439 10.739 304 H LEU 42 H LEU 42 4.236 4.269 7.198 305 HA LEU 42 HA LEU 42 5.806 6.055 5.583 306 1HB LEU 42 2HB LEU 42 4.957 3.252 5.491 307 2HB LEU 42 1HB LEU 42 5.012 4.019 3.915 308 HG LEU 42 HG LEU 42 7.354 4.606 4.252 309 1HD1 LEU 42 1HD1 LEU 42 8.601 4.014 6.163 310 2HD1 LEU 42 2HD1 LEU 42 7.134 4.780 6.769 311 3HD1 LEU 42 3HD1 LEU 42 7.291 3.024 6.806 312 1HD2 LEU 42 1HD2 LEU 42 6.389 2.166 3.632 313 2HD2 LEU 42 2HD2 LEU 42 8.099 2.593 3.592 314 3HD2 LEU 42 3HD2 LEU 42 7.431 1.765 4.998 315 H GLY 43 H GLY 43 2.580 5.811 6.252 316 1HA GLY 43 1HA GLY 43 1.780 6.867 3.624 317 2HA GLY 43 2HA GLY 43 0.684 6.166 4.807 318 H ASP 44 H ASP 44 3.246 8.488 5.400 319 HA ASP 44 HA ASP 44 1.405 10.710 5.610 320 1HB ASP 44 2HB ASP 44 1.982 9.206 7.921 321 2HB ASP 44 1HB ASP 44 2.972 10.657 8.040 322 H ILE 45 H ILE 45 3.321 10.371 3.807 323 HA ILE 45 HA ILE 45 5.519 12.141 4.672 324 HB ILE 45 HB ILE 45 6.981 10.751 3.105 325 1HG1 ILE 45 2HG1 ILE 45 5.668 8.257 3.528 326 1HG2 ILE 45 1HG2 ILE 45 6.013 9.361 5.595 327 2HG2 ILE 45 2HG2 ILE 45 7.601 9.220 4.839 328 3HG2 ILE 45 3HG2 ILE 45 7.112 10.741 5.587 329 1HD1 ILE 45 1HD1 ILE 45 6.681 9.812 1.268 330 2HD1 ILE 45 2HD1 ILE 45 6.853 8.098 1.647 331 3HD1 ILE 45 3HD1 ILE 45 5.379 8.689 0.880 332 H GLY 46 H GLY 46 2.956 12.086 2.796 333 1HA GLY 46 1HA GLY 46 2.605 13.738 1.051 334 2HA GLY 46 2HA GLY 46 4.278 13.490 0.558 335 H THR 47 H THR 47 4.424 12.402 -1.307 336 HA THR 47 HA THR 47 3.029 9.875 -1.424 337 HB THR 47 HB THR 47 1.387 11.036 -2.642 338 HG1 THR 47 1HG THR 47 1.960 10.388 -4.947 339 1HG2 THR 47 1HG2 THR 47 2.141 13.151 -3.133 340 2HG2 THR 47 2HG2 THR 47 2.198 12.410 -4.732 341 3HG2 THR 47 3HG2 THR 47 3.674 12.572 -3.783 342 H SER 48 H SER 48 4.866 8.775 -1.323 343 HA SER 48 HA SER 48 6.165 8.286 -3.751 344 1HB SER 48 2HB SER 48 8.503 8.707 -2.269 345 2HB SER 48 1HB SER 48 7.952 9.652 -3.649 346 HG SER 48 HG SER 48 6.634 10.493 -1.506 347 H SER 49 H SER 49 6.128 6.096 -3.642 348 HA SER 49 HA SER 49 6.768 4.884 -1.039 349 1HB SER 49 2HB SER 49 5.710 2.804 -2.277 350 2HB SER 49 1HB SER 49 4.676 4.042 -1.555 351 HG SER 49 HG SER 49 3.873 4.232 -3.482 352 H TYR 50 H TYR 50 7.702 2.485 -1.516 353 HA TYR 50 HA TYR 50 9.640 2.718 -3.703 354 1HB TYR 50 2HB TYR 50 10.241 2.468 -0.812 355 2HB TYR 50 1HB TYR 50 11.178 1.438 -1.891 356 HD1 TYR 50 1HD TYR 50 11.531 4.259 -0.144 357 HD2 TYR 50 2HD TYR 50 11.697 3.035 -4.212 358 HE1 TYR 50 1HE TYR 50 13.018 6.146 -0.645 359 HE2 TYR 50 2HE TYR 50 13.191 4.919 -4.721 360 HH TYR 50 HH TYR 50 14.657 6.442 -3.683 361 H THR 51 H THR 51 8.777 1.203 -4.967 362 HA THR 51 HA THR 51 8.007 -1.370 -3.878 363 HB THR 51 HB THR 51 8.114 -1.180 -6.790 364 HG1 THR 51 1HG THR 51 6.129 0.419 -6.440 365 1HG2 THR 51 1HG2 THR 51 5.455 -1.258 -5.767 366 2HG2 THR 51 2HG2 THR 51 6.472 -2.309 -4.776 367 3HG2 THR 51 3HG2 THR 51 6.386 -2.552 -6.522 368 H LYS 52 H LYS 52 9.790 -2.587 -3.329 369 HA LYS 52 HA LYS 52 11.567 -3.366 -5.508 370 1HB LYS 52 2HB LYS 52 12.488 -1.360 -4.091 371 2HB LYS 52 1HB LYS 52 12.834 -2.606 -2.899 372 1HG LYS 52 2HG LYS 52 14.818 -2.480 -4.049 373 2HG LYS 52 1HG LYS 52 14.008 -3.812 -4.876 374 1HD LYS 52 2HD LYS 52 13.483 -2.488 -6.732 375 2HD LYS 52 1HD LYS 52 13.759 -0.984 -5.850 376 1HE LYS 52 2HE LYS 52 16.191 -1.801 -5.653 377 2HE LYS 52 1HE LYS 52 15.766 -2.930 -6.937 378 1HZ LYS 52 1HZ LYS 52 16.771 -0.693 -7.593 379 2HZ LYS 52 2HZ LYS 52 15.253 -0.032 -7.222 380 3HZ LYS 52 3HZ LYS 52 15.389 -1.210 -8.433 381 H SER 53 H SER 53 11.890 -5.485 -5.485 382 HA SER 53 HA SER 53 12.039 -7.655 -4.831 383 1HB SER 53 2HB SER 53 12.865 -6.263 -2.284 384 2HB SER 53 1HB SER 53 12.963 -8.013 -2.498 385 HG SER 53 HG SER 53 14.901 -7.407 -3.203 386 H GLY 54 H GLY 54 9.469 -5.992 -4.065 387 1HA GLY 54 1HA GLY 54 7.404 -6.574 -3.173 388 2HA GLY 54 2HA GLY 54 8.046 -8.184 -2.850 389 H MET 55 H MET 55 9.752 -5.394 -1.820 390 HA MET 55 HA MET 55 8.981 -5.889 0.974 391 1HB MET 55 2HB MET 55 11.381 -6.473 0.161 392 2HB MET 55 1HB MET 55 11.622 -4.732 0.111 393 1HG MET 55 2HG MET 55 12.037 -4.693 2.276 394 2HG MET 55 1HG MET 55 10.469 -5.420 2.619 395 1HE MET 55 1HE MET 55 12.770 -7.414 0.311 396 2HE MET 55 2HE MET 55 14.034 -6.520 1.158 397 3HE MET 55 3HE MET 55 13.873 -8.259 1.400 398 H ILE 56 H ILE 56 8.484 -4.116 2.184 399 HA ILE 56 HA ILE 56 8.087 -1.629 0.696 400 HB ILE 56 HB ILE 56 7.250 -1.596 3.495 401 1HG1 ILE 56 2HG1 ILE 56 6.831 -4.020 2.753 402 1HG2 ILE 56 1HG2 ILE 56 6.385 0.162 2.385 403 2HG2 ILE 56 2HG2 ILE 56 6.301 -0.693 0.846 404 3HG2 ILE 56 3HG2 ILE 56 5.069 -0.972 2.082 405 1HD1 ILE 56 1HD1 ILE 56 5.357 -4.576 1.177 406 2HD1 ILE 56 2HD1 ILE 56 4.313 -3.190 1.510 407 3HD1 ILE 56 3HD1 ILE 56 5.757 -2.992 0.513 408 H LEU 57 H LEU 57 9.403 0.031 0.904 409 HA LEU 57 HA LEU 57 10.937 0.279 3.409 410 1HB LEU 57 2HB LEU 57 12.183 0.846 0.734 411 2HB LEU 57 1HB LEU 57 12.973 0.704 2.292 412 HG LEU 57 HG LEU 57 11.555 -1.706 1.361 413 1HD1 LEU 57 1HD1 LEU 57 14.159 -0.899 0.093 414 2HD1 LEU 57 2HD1 LEU 57 13.213 -2.356 -0.216 415 3HD1 LEU 57 3HD1 LEU 57 12.592 -0.781 -0.707 416 1HD2 LEU 57 1HD2 LEU 57 13.724 -0.944 3.118 417 2HD2 LEU 57 2HD2 LEU 57 12.738 -2.406 3.107 418 3HD2 LEU 57 3HD2 LEU 57 14.161 -2.295 2.071 419 H CYS 58 H CYS 58 11.606 2.360 3.953 420 HA CYS 58 HA CYS 58 10.107 4.527 2.699 421 1HB CYS 58 2HB CYS 58 11.040 5.876 4.614 422 2HB CYS 58 1HB CYS 58 9.985 4.553 5.099 423 H ARG 59 H ARG 59 11.743 6.664 2.866 424 HA ARG 59 HA ARG 59 13.613 6.236 0.777 425 1HB ARG 59 2HB ARG 59 12.609 8.427 1.121 426 2HB ARG 59 1HB ARG 59 13.346 8.547 2.713 427 1HG ARG 59 2HG ARG 59 14.592 9.895 1.172 428 2HG ARG 59 1HG ARG 59 15.575 8.506 1.636 429 1HD ARG 59 2HD ARG 59 14.977 7.378 -0.449 430 2HD ARG 59 1HD ARG 59 13.977 8.754 -0.910 431 HE ARG 59 HE ARG 59 16.862 9.111 -0.444 432 1HH1 ARG 59 2HH1 ARG 59 14.067 9.287 -2.546 433 2HH1 ARG 59 1HH1 ARG 59 14.918 10.096 -3.830 434 1HH2 ARG 59 2HH2 ARG 59 17.993 10.176 -2.147 435 2HH2 ARG 59 1HH2 ARG 59 17.141 10.581 -3.612 436 H ASN 60 H ASN 60 13.959 6.685 4.268 437 HA ASN 60 HA ASN 60 16.777 6.478 4.352 438 1HB ASN 60 2HB ASN 60 16.031 7.370 6.315 439 2HB ASN 60 1HB ASN 60 14.550 6.419 6.306 440 1HD2 ASN 60 1HD2 ASN 60 14.414 4.746 7.637 441 2HD2 ASN 60 2HD2 ASN 60 15.731 4.049 8.514 442 H ASP 61 H ASP 61 14.206 4.064 4.863 443 HA ASP 61 HA ASP 61 16.084 2.014 5.465 444 1HB ASP 61 2HB ASP 61 13.128 2.132 5.126 445 2HB ASP 61 1HB ASP 61 13.910 0.555 5.041 446 H TYR 62 H TYR 62 14.828 3.235 2.518 447 HA TYR 62 HA TYR 62 15.298 0.942 0.896 448 1HB TYR 62 2HB TYR 62 13.934 2.891 0.152 449 2HB TYR 62 1HB TYR 62 15.404 3.858 0.085 450 HD1 TYR 62 1HD TYR 62 13.634 0.989 -1.432 451 HD2 TYR 62 2HD TYR 62 16.895 3.699 -1.770 452 HE1 TYR 62 1HE TYR 62 14.022 0.228 -3.739 453 HE2 TYR 62 2HE TYR 62 17.296 2.942 -4.074 454 HH TYR 62 HH TYR 62 15.207 1.471 -5.918 455 H ILE 63 H ILE 63 17.246 3.778 1.775 456 HA ILE 63 HA ILE 63 19.567 2.936 0.337 457 HB ILE 63 HB ILE 63 19.771 4.701 2.744 458 1HG1 ILE 63 2HG1 ILE 63 17.706 5.355 1.450 459 1HG2 ILE 63 1HG2 ILE 63 21.697 3.990 1.216 460 2HG2 ILE 63 2HG2 ILE 63 21.003 5.111 0.044 461 3HG2 ILE 63 3HG2 ILE 63 21.545 5.700 1.617 462 1HD1 ILE 63 1HD1 ILE 63 17.808 5.365 -0.760 463 2HD1 ILE 63 2HD1 ILE 63 18.686 6.884 -0.585 464 3HD1 ILE 63 3HD1 ILE 63 19.574 5.371 -0.769 465 H ARG 64 H ARG 64 18.195 2.182 3.390 466 HA ARG 64 HA ARG 64 20.574 1.184 4.625 467 1HB ARG 64 2HB ARG 64 18.896 1.921 6.103 468 2HB ARG 64 1HB ARG 64 17.634 1.051 5.247 469 1HG ARG 64 2HG ARG 64 19.617 -0.771 6.272 470 2HG ARG 64 1HG ARG 64 18.966 0.256 7.551 471 1HD ARG 64 2HD ARG 64 16.938 -0.770 5.714 472 2HD ARG 64 1HD ARG 64 17.802 -2.030 6.592 473 HE ARG 64 HE ARG 64 16.301 0.183 7.853 474 1HH1 ARG 64 2HH1 ARG 64 17.534 -3.101 7.848 475 2HH1 ARG 64 1HH1 ARG 64 16.791 -3.526 9.366 476 1HH2 ARG 64 2HH2 ARG 64 15.350 -0.357 9.873 477 2HH2 ARG 64 1HH2 ARG 64 15.565 -1.959 10.526 478 H LEU 65 H LEU 65 17.729 -0.327 3.115 479 HA LEU 65 HA LEU 65 18.924 -2.949 3.395 480 1HB LEU 65 2HB LEU 65 16.314 -1.919 3.258 481 2HB LEU 65 1HB LEU 65 16.509 -2.924 1.834 482 HG LEU 65 HG LEU 65 17.549 -4.394 4.010 483 1HD1 LEU 65 1HD1 LEU 65 14.853 -3.176 4.591 484 2HD1 LEU 65 2HD1 LEU 65 15.572 -4.526 5.467 485 3HD1 LEU 65 3HD1 LEU 65 16.332 -2.935 5.520 486 1HD2 LEU 65 1HD2 LEU 65 15.091 -4.585 2.295 487 2HD2 LEU 65 2HD2 LEU 65 16.600 -5.487 2.155 488 3HD2 LEU 65 3HD2 LEU 65 15.504 -5.807 3.500 489 H PHE 66 H PHE 66 18.230 -0.670 0.808 490 HA PHE 66 HA PHE 66 19.497 -2.548 -1.075 491 1HB PHE 66 2HB PHE 66 17.079 -0.788 -1.439 492 2HB PHE 66 1HB PHE 66 17.993 -1.406 -2.813 493 HD1 PHE 66 1HD PHE 66 15.655 -2.194 -0.168 494 HD2 PHE 66 2HD PHE 66 18.087 -3.820 -3.254 495 HE1 PHE 66 1HE PHE 66 14.404 -4.301 -0.034 496 HE2 PHE 66 2HE PHE 66 16.830 -5.932 -3.134 497 HZ PHE 66 HZ PHE 66 14.988 -6.173 -1.517 498 H GLY 67 H GLY 67 20.628 -0.278 0.494 499 1HA GLY 67 1HA GLY 67 21.191 1.874 -1.298 500 2HA GLY 67 2HA GLY 67 22.119 1.446 0.141 501 H ASN 68 H ASN 68 22.530 -1.269 -0.700 502 HA ASN 68 HA ASN 68 24.308 -0.935 -3.022 503 1HB ASN 68 2HB ASN 68 25.765 -1.259 -1.146 504 2HB ASN 68 1HB ASN 68 24.752 -2.542 -0.498 505 1HD2 ASN 68 1HD2 ASN 68 25.865 -4.350 -0.576 506 2HD2 ASN 68 2HD2 ASN 68 26.764 -4.934 -1.942 507 H SER 69 H SER 69 22.495 -1.522 -4.277 508 HA SER 69 HA SER 69 21.220 -4.070 -3.766 509 1HB SER 69 2HB SER 69 20.190 -2.933 -6.126 510 2HB SER 69 1HB SER 69 19.476 -2.871 -4.513 511 HG SER 69 HG SER 69 20.281 -0.889 -4.201 512 H GLY 70 H GLY 70 23.788 -2.923 -5.647 513 1HA GLY 70 1HA GLY 70 24.973 -4.954 -6.669 514 2HA GLY 70 2HA GLY 70 23.480 -5.129 -7.585 515 H ALA 71 H ALA 71 23.061 -2.301 -7.911 516 HA ALA 71 HA ALA 71 25.375 -1.467 -9.498 517 1HB ALA 71 1HB ALA 71 23.439 -2.607 -10.846 518 2HB ALA 71 2HB ALA 71 22.657 -1.039 -10.646 519 3HB ALA 71 3HB ALA 71 24.218 -1.147 -11.460 520 H GLY 72 H GLY 72 25.272 0.876 -10.046 521 1HA GLY 72 1HA GLY 72 24.006 2.318 -7.808 522 2HA GLY 72 2HA GLY 72 25.433 2.854 -8.685 523 H GLY 73 H GLY 73 24.924 4.716 -9.641 524 1HA GLY 73 1HA GLY 73 23.982 6.009 -11.332 525 2HA GLY 73 2HA GLY 73 22.844 4.710 -11.658 526 H SER 74 H SER 74 23.611 6.984 -9.038 527 HA SER 74 HA SER 74 20.779 7.715 -8.910 528 1HB SER 74 2HB SER 74 22.192 7.338 -6.312 529 2HB SER 74 1HB SER 74 20.484 7.136 -6.706 530 HG SER 74 HG SER 74 20.989 5.174 -7.714 531 H GLY 75 H GLY 75 20.452 9.853 -8.586 532 1HA GLY 75 1HA GLY 75 22.615 11.481 -7.464 533 2HA GLY 75 2HA GLY 75 22.104 11.837 -9.106 534 H GLY 76 H GLY 76 19.399 10.783 -7.583 535 1HA GLY 76 1HA GLY 76 18.487 13.531 -7.200 536 2HA GLY 76 2HA GLY 76 17.469 12.105 -7.351 537 H HIS 77 H HIS 77 17.044 14.047 -5.417 538 HA HIS 77 HA HIS 77 17.667 12.545 -2.956 539 1HB HIS 77 2HB HIS 77 18.122 15.384 -3.596 540 2HB HIS 77 1HB HIS 77 17.331 15.101 -2.048 541 HD1 HIS 77 1HD HIS 77 20.146 16.283 -2.130 542 HD2 HIS 77 2HD HIS 77 19.360 12.211 -1.831 543 HE1 HIS 77 1HE HIS 77 22.196 15.273 -1.073 544 HE2 HIS 77 2HE HIS 77 21.777 12.784 -1.106 545 H MET 78 H MET 78 15.368 14.282 -4.867 546 HA MET 78 HA MET 78 13.392 14.573 -2.818 547 1HB MET 78 2HB MET 78 13.286 16.158 -4.564 548 2HB MET 78 1HB MET 78 13.382 14.920 -5.808 549 1HG MET 78 2HG MET 78 11.184 15.260 -5.978 550 2HG MET 78 1HG MET 78 11.095 14.194 -4.578 551 1HE MET 78 1HE MET 78 8.329 16.375 -4.312 552 2HE MET 78 2HE MET 78 9.022 14.766 -4.100 553 3HE MET 78 3HE MET 78 8.787 15.820 -2.703 554 H GLY 79 H GLY 79 11.880 13.174 -2.163 555 1HA GLY 79 1HA GLY 79 10.157 11.557 -3.003 556 2HA GLY 79 2HA GLY 79 11.497 10.731 -3.786 557 H SER 80 H SER 80 9.464 10.462 -1.315 558 HA SER 80 HA SER 80 11.440 9.363 0.554 559 1HB SER 80 2HB SER 80 8.488 9.680 1.077 560 2HB SER 80 1HB SER 80 9.796 9.536 2.250 561 HG SER 80 HG SER 80 10.475 11.597 1.750 562 H GLY 81 H GLY 81 9.813 7.478 1.837 563 1HA GLY 81 1HA GLY 81 9.392 5.521 -0.340 564 2HA GLY 81 2HA GLY 81 10.187 5.109 1.171 565 H GLY 82 H GLY 82 8.005 3.708 0.181 566 1HA GLY 82 1HA GLY 82 6.315 3.590 2.391 567 2HA GLY 82 2HA GLY 82 5.511 4.568 1.172 568 H ASP 83 H ASP 83 3.973 2.719 1.457 569 HA ASP 83 HA ASP 83 4.698 0.258 0.092 570 1HB ASP 83 2HB ASP 83 3.247 0.639 2.313 571 2HB ASP 83 1HB ASP 83 1.948 0.714 1.129 572 H VAL 84 H VAL 84 3.264 -0.674 -1.473 573 HA VAL 84 HA VAL 84 1.292 0.904 -2.808 574 HB VAL 84 HB VAL 84 2.750 0.226 -5.056 575 1HG1 VAL 84 1HG1 VAL 84 1.331 2.277 -4.328 576 2HG1 VAL 84 2HG1 VAL 84 2.905 2.983 -3.953 577 3HG1 VAL 84 3HG1 VAL 84 2.551 2.438 -5.592 578 1HG2 VAL 84 1HG2 VAL 84 4.691 1.895 -3.570 579 2HG2 VAL 84 2HG2 VAL 84 4.696 0.163 -3.235 580 3HG2 VAL 84 3HG2 VAL 84 4.950 0.744 -4.882 581 H MET 85 H MET 85 0.896 -1.365 -1.568 582 HA MET 85 HA MET 85 0.127 -3.501 -1.734 583 1HB MET 85 2HB MET 85 -1.055 -2.576 -3.804 584 2HB MET 85 1HB MET 85 0.269 -3.252 -4.742 585 1HG MET 85 2HG MET 85 -1.924 -4.600 -4.444 586 2HG MET 85 1HG MET 85 -0.367 -5.420 -4.345 587 1HE MET 85 1HE MET 85 -1.705 -7.645 -1.831 588 2HE MET 85 2HE MET 85 -1.019 -7.322 -3.424 589 3HE MET 85 3HE MET 85 -0.009 -7.190 -1.986 590 H VAL 86 H VAL 86 2.732 -3.025 -1.289 591 HA VAL 86 HA VAL 86 4.273 -4.779 -3.048 592 HB VAL 86 HB VAL 86 5.320 -3.058 -0.772 593 1HG1 VAL 86 1HG1 VAL 86 6.856 -4.797 -1.612 594 2HG1 VAL 86 2HG1 VAL 86 6.661 -4.176 -3.252 595 3HG1 VAL 86 3HG1 VAL 86 7.428 -3.177 -2.016 596 1HG2 VAL 86 1HG2 VAL 86 5.700 -1.302 -2.297 597 2HG2 VAL 86 2HG2 VAL 86 5.209 -2.287 -3.673 598 3HG2 VAL 86 3HG2 VAL 86 4.014 -1.778 -2.481 599 H VAL 87 H VAL 87 2.361 -5.201 -0.501 600 HA VAL 87 HA VAL 87 4.017 -6.881 1.154 601 HB VAL 87 HB VAL 87 1.791 -7.553 2.181 602 1HG1 VAL 87 1HG1 VAL 87 3.337 -5.840 3.091 603 2HG1 VAL 87 2HG1 VAL 87 2.442 -4.612 2.198 604 3HG1 VAL 87 3HG1 VAL 87 1.642 -5.533 3.471 605 1HG2 VAL 87 1HG2 VAL 87 -0.120 -6.929 1.239 606 2HG2 VAL 87 2HG2 VAL 87 0.369 -5.236 1.291 607 3HG2 VAL 87 3HG2 VAL 87 0.797 -6.234 -0.098 608 H GLY 88 H GLY 88 3.249 -9.144 1.634 609 1HA GLY 88 1HA GLY 88 2.460 -11.240 0.900 610 2HA GLY 88 2HA GLY 88 2.157 -10.548 -0.689 611 H GLU 89 H GLU 89 3.328 -11.708 -2.058 612 HA GLU 89 HA GLU 89 6.216 -11.600 -1.727 613 1HB GLU 89 2HB GLU 89 4.875 -13.954 -1.160 614 2HB GLU 89 1HB GLU 89 5.394 -14.176 -2.826 615 1HG GLU 89 2HG GLU 89 7.655 -13.199 -1.718 616 2HG GLU 89 1HG GLU 89 6.963 -14.072 -0.353 617 HA PRO 90 HA PRO 90 4.605 -10.656 -5.998 618 1HB PRO 90 2HB PRO 90 6.025 -8.131 -5.756 619 2HB PRO 90 1HB PRO 90 4.307 -8.410 -6.037 620 1HG PRO 90 2HG PRO 90 5.286 -7.367 -3.724 621 2HG PRO 90 1HG PRO 90 3.792 -8.320 -3.805 622 1HD PRO 90 2HD PRO 90 6.538 -9.160 -2.951 623 2HD PRO 90 1HD PRO 90 4.961 -9.578 -2.246 624 H THR 91 H THR 91 5.799 -11.201 -7.733 625 HA THR 91 HA THR 91 8.596 -11.769 -7.392 626 HB THR 91 HB THR 91 7.561 -11.944 -10.120 627 HG1 THR 91 1HG THR 91 5.957 -13.450 -9.684 628 1HG2 THR 91 1HG2 THR 91 8.352 -14.240 -8.369 629 2HG2 THR 91 2HG2 THR 91 9.571 -13.096 -8.929 630 3HG2 THR 91 3HG2 THR 91 8.618 -14.009 -10.097 631 H LEU 92 H LEU 92 8.578 -9.221 -6.969 632 HA LEU 92 HA LEU 92 8.707 -7.504 -9.216 633 1HB LEU 92 2HB LEU 92 9.041 -7.310 -6.361 634 2HB LEU 92 1HB LEU 92 10.309 -6.418 -7.181 635 HG LEU 92 HG LEU 92 7.771 -5.825 -8.395 636 1HD1 LEU 92 1HD1 LEU 92 7.819 -4.906 -5.566 637 2HD1 LEU 92 2HD1 LEU 92 6.460 -5.083 -6.675 638 3HD1 LEU 92 3HD1 LEU 92 7.181 -6.510 -5.930 639 1HD2 LEU 92 1HD2 LEU 92 9.442 -3.980 -6.725 640 2HD2 LEU 92 2HD2 LEU 92 9.989 -4.535 -8.307 641 3HD2 LEU 92 3HD2 LEU 92 8.488 -3.620 -8.165 642 H MET 93 H MET 93 10.254 -7.232 -10.658 643 HA MET 93 HA MET 93 12.643 -8.780 -10.598 644 1HB MET 93 2HB MET 93 11.179 -7.350 -12.520 645 2HB MET 93 1HB MET 93 12.751 -6.566 -12.457 646 1HG MET 93 2HG MET 93 13.852 -8.381 -13.262 647 2HG MET 93 1HG MET 93 12.683 -9.524 -12.598 648 1HE MET 93 1HE MET 93 9.624 -8.598 -14.553 649 2HE MET 93 2HE MET 93 10.201 -10.255 -14.735 650 3HE MET 93 3HE MET 93 10.343 -9.435 -13.179 651 H GLY 94 H GLY 94 14.759 -8.137 -10.276 652 1HA GLY 94 1HA GLY 94 15.112 -5.910 -8.479 653 2HA GLY 94 2HA GLY 94 16.352 -7.037 -9.009 654 H GLY 95 H GLY 95 17.091 -4.492 -8.812 655 1HA GLY 95 1HA GLY 95 17.736 -3.845 -11.550 656 2HA GLY 95 2HA GLY 95 16.721 -2.647 -10.756 657 H GLU 96 H GLU 96 18.177 -1.012 -10.655 658 HA GLU 96 HA GLU 96 20.718 -1.522 -9.273 659 1HB GLU 96 2HB GLU 96 21.343 0.753 -10.086 660 2HB GLU 96 1HB GLU 96 21.005 -0.396 -11.373 661 1HG GLU 96 2HG GLU 96 18.591 0.959 -10.724 662 2HG GLU 96 1HG GLU 96 19.871 2.154 -10.940 663 H PHE 97 H PHE 97 21.250 0.982 -8.311 664 HA PHE 97 HA PHE 97 19.589 1.139 -5.963 665 1HB PHE 97 2HB PHE 97 22.092 1.509 -5.999 666 2HB PHE 97 1HB PHE 97 21.786 3.026 -6.837 667 HD1 PHE 97 1HD PHE 97 22.979 4.168 -5.014 668 HD2 PHE 97 2HD PHE 97 19.394 1.985 -4.324 669 HE1 PHE 97 1HE PHE 97 22.709 5.308 -2.853 670 HE2 PHE 97 2HE PHE 97 19.114 3.123 -2.162 671 HZ PHE 97 HZ PHE 97 20.772 4.789 -1.426 672 H GLY 98 H GLY 98 17.611 1.915 -6.327 673 1HA GLY 98 1HA GLY 98 17.166 3.881 -8.373 674 2HA GLY 98 2HA GLY 98 15.941 3.061 -7.422 675 H ASP 99 H ASP 99 17.837 5.862 -7.811 676 HA ASP 99 HA ASP 99 16.974 7.119 -5.341 677 1HB ASP 99 2HB ASP 99 17.950 9.177 -6.314 678 2HB ASP 99 1HB ASP 99 19.102 7.847 -6.293 679 H GLU 100 H GLU 100 16.109 6.939 -8.721 680 HA GLU 100 HA GLU 100 13.742 8.609 -8.255 681 1HB GLU 100 2HB GLU 100 14.798 7.463 -10.849 682 2HB GLU 100 1HB GLU 100 13.453 8.585 -10.681 683 1HG GLU 100 2HG GLU 100 16.254 9.226 -9.803 684 2HG GLU 100 1HG GLU 100 15.640 9.576 -11.418 685 H ASP 101 H ASP 101 14.116 5.944 -7.135 686 HA ASP 101 HA ASP 101 12.286 4.236 -8.634 687 1HB ASP 101 2HB ASP 101 14.412 3.773 -6.835 688 2HB ASP 101 1HB ASP 101 12.956 3.230 -6.012 689 H GLU 102 H GLU 102 11.890 6.791 -6.711 690 HA GLU 102 HA GLU 102 10.024 5.875 -4.784 691 1HB GLU 102 2HB GLU 102 9.388 8.403 -4.789 692 2HB GLU 102 1HB GLU 102 10.956 7.899 -4.178 693 1HG GLU 102 2HG GLU 102 11.933 9.270 -5.594 694 2HG GLU 102 1HG GLU 102 11.254 8.363 -6.944 695 H ARG 103 H ARG 103 8.068 5.210 -5.095 696 HA ARG 103 HA ARG 103 6.745 5.739 -7.630 697 1HB ARG 103 2HB ARG 103 6.950 3.498 -5.970 698 2HB ARG 103 1HB ARG 103 5.281 4.024 -5.810 699 1HG ARG 103 2HG ARG 103 5.409 2.413 -7.565 700 2HG ARG 103 1HG ARG 103 5.082 3.992 -8.276 701 1HD ARG 103 2HD ARG 103 6.715 2.963 -9.645 702 2HD ARG 103 1HD ARG 103 7.553 4.194 -8.702 703 HE ARG 103 HE ARG 103 7.622 1.579 -7.499 704 1HH1 ARG 103 2HH1 ARG 103 9.142 3.690 -9.850 705 2HH1 ARG 103 1HH1 ARG 103 10.704 2.940 -9.697 706 1HH2 ARG 103 2HH2 ARG 103 9.688 0.567 -7.335 707 2HH2 ARG 103 1HH2 ARG 103 11.020 1.191 -8.267 708 H LEU 104 H LEU 104 4.115 5.105 -6.248 709 HA LEU 104 HA LEU 104 3.608 7.865 -5.386 710 1HB LEU 104 2HB LEU 104 1.175 7.120 -6.193 711 2HB LEU 104 1HB LEU 104 2.351 7.859 -7.251 712 HG LEU 104 HG LEU 104 1.039 5.883 -8.150 713 1HD1 LEU 104 1HD1 LEU 104 4.016 6.067 -8.270 714 2HD1 LEU 104 2HD1 LEU 104 3.129 4.848 -9.188 715 3HD1 LEU 104 3HD1 LEU 104 2.814 6.563 -9.462 716 1HD2 LEU 104 1HD2 LEU 104 3.010 4.201 -6.633 717 2HD2 LEU 104 2HD2 LEU 104 1.366 4.501 -6.059 718 3HD2 LEU 104 3HD2 LEU 104 1.626 3.686 -7.601 719 H ILE 105 H ILE 105 2.104 8.302 -3.790 720 HA ILE 105 HA ILE 105 0.874 6.034 -2.411 721 HB ILE 105 HB ILE 105 2.681 8.028 -1.108 722 1HG1 ILE 105 2HG1 ILE 105 2.104 5.221 -0.231 723 1HG2 ILE 105 1HG2 ILE 105 0.042 7.264 -0.079 724 2HG2 ILE 105 2HG2 ILE 105 1.374 7.036 1.054 725 3HG2 ILE 105 3HG2 ILE 105 1.080 8.625 0.349 726 1HD1 ILE 105 1HD1 ILE 105 4.751 6.610 -0.271 727 2HD1 ILE 105 2HD1 ILE 105 3.615 6.835 1.059 728 3HD1 ILE 105 3HD1 ILE 105 4.232 5.223 0.689 729 H THR 106 H THR 106 -1.257 6.417 -2.445 730 HA THR 106 HA THR 106 -2.165 9.139 -2.934 731 HB THR 106 HB THR 106 -4.102 6.903 -2.701 732 HG1 THR 106 1HG THR 106 -2.560 5.809 -3.847 733 1HG2 THR 106 1HG2 THR 106 -4.019 8.565 -5.112 734 2HG2 THR 106 2HG2 THR 106 -4.223 9.475 -3.614 735 3HG2 THR 106 3HG2 THR 106 -5.366 8.196 -4.035 736 H ARG 107 H ARG 107 -1.828 10.069 -0.907 737 HA ARG 107 HA ARG 107 -3.329 8.972 1.353 738 1HB ARG 107 2HB ARG 107 -0.863 10.232 1.177 739 2HB ARG 107 1HB ARG 107 -1.918 11.496 1.787 740 1HG ARG 107 2HG ARG 107 -1.210 8.871 3.034 741 2HG ARG 107 1HG ARG 107 -1.055 10.496 3.698 742 1HD ARG 107 2HD ARG 107 -3.785 9.572 3.008 743 2HD ARG 107 1HD ARG 107 -3.012 8.817 4.400 744 HE ARG 107 HE ARG 107 -4.082 11.461 4.244 745 1HH1 ARG 107 2HH1 ARG 107 -1.492 9.602 5.710 746 2HH1 ARG 107 1HH1 ARG 107 -1.420 10.583 7.140 747 1HH2 ARG 107 2HH2 ARG 107 -4.004 12.756 6.138 748 2HH2 ARG 107 1HH2 ARG 107 -2.852 12.371 7.390 749 H LEU 108 H LEU 108 -5.401 9.458 0.415 750 HA LEU 108 HA LEU 108 -6.058 12.318 0.606 751 1HB LEU 108 2HB LEU 108 -6.519 10.424 -1.570 752 2HB LEU 108 1HB LEU 108 -7.973 11.269 -1.073 753 HG LEU 108 HG LEU 108 -5.470 12.810 -1.648 754 1HD1 LEU 108 1HD1 LEU 108 -5.927 11.257 -3.555 755 2HD1 LEU 108 2HD1 LEU 108 -7.493 12.051 -3.741 756 3HD1 LEU 108 3HD1 LEU 108 -6.006 12.974 -3.957 757 1HD2 LEU 108 1HD2 LEU 108 -8.128 13.431 -0.907 758 2HD2 LEU 108 2HD2 LEU 108 -6.808 14.539 -1.284 759 3HD2 LEU 108 3HD2 LEU 108 -7.892 13.995 -2.563 760 H GLU 109 H GLU 109 -6.991 12.432 2.512 761 HA GLU 109 HA GLU 109 -8.768 10.441 3.562 762 1HB GLU 109 2HB GLU 109 -8.330 13.293 4.477 763 2HB GLU 109 1HB GLU 109 -9.078 12.003 5.406 764 1HG GLU 109 2HG GLU 109 -7.034 11.842 6.306 765 2HG GLU 109 1HG GLU 109 -6.713 10.861 4.878 766 H ASN 110 H ASN 110 -11.011 10.839 4.087 767 HA ASN 110 HA ASN 110 -12.550 11.705 1.910 768 1HB ASN 110 2HB ASN 110 -13.273 10.111 3.727 769 2HB ASN 110 1HB ASN 110 -13.490 11.507 4.778 770 1HD2 ASN 110 1HD2 ASN 110 -15.669 11.337 5.033 771 2HD2 ASN 110 2HD2 ASN 110 -16.802 11.534 3.732 772 H THR 111 H THR 111 -11.580 13.332 4.869 773 HA THR 111 HA THR 111 -13.147 15.681 4.322 774 HB THR 111 HB THR 111 -11.281 16.314 6.289 775 HG1 THR 111 1HG THR 111 -10.946 14.513 7.460 776 1HG2 THR 111 1HG2 THR 111 -13.768 15.006 7.186 777 2HG2 THR 111 2HG2 THR 111 -13.976 16.311 6.017 778 3HG2 THR 111 3HG2 THR 111 -13.144 16.617 7.543 779 H GLN 112 H GLN 112 -10.260 14.525 3.117 780 HA GLN 112 HA GLN 112 -9.024 17.166 2.855 781 1HB GLN 112 2HB GLN 112 -7.786 14.954 3.458 782 2HB GLN 112 1HB GLN 112 -7.889 14.621 1.735 783 1HG GLN 112 2HG GLN 112 -6.918 17.225 1.914 784 2HG GLN 112 1HG GLN 112 -6.067 16.319 3.167 785 1HE2 GLN 112 1HE2 GLN 112 -5.425 14.019 2.321 786 2HE2 GLN 112 2HE2 GLN 112 -4.618 14.027 0.785 787 H PHE 113 H PHE 113 -11.322 15.444 1.312 788 HA PHE 113 HA PHE 113 -10.460 15.875 -1.405 789 1HB PHE 113 2HB PHE 113 -12.786 14.588 -0.075 790 2HB PHE 113 1HB PHE 113 -13.031 15.190 -1.713 791 HD1 PHE 113 1HD PHE 113 -11.777 12.528 0.282 792 HD2 PHE 113 2HD PHE 113 -11.380 14.421 -3.508 793 HE1 PHE 113 1HE PHE 113 -10.705 10.502 -0.613 794 HE2 PHE 113 2HE PHE 113 -10.315 12.395 -4.411 795 HZ PHE 113 HZ PHE 113 -9.977 10.433 -2.963 796 H ASP 114 H ASP 114 -12.308 17.584 0.961 797 HA ASP 114 HA ASP 114 -12.723 19.752 -0.936 798 1HB ASP 114 2HB ASP 114 -14.761 18.253 -0.985 799 2HB ASP 114 1HB ASP 114 -15.037 18.706 0.693 800 H ALA 115 H ALA 115 -13.344 18.649 2.387 801 HA ALA 115 HA ALA 115 -13.612 21.196 3.528 802 1HB ALA 115 1HB ALA 115 -12.423 19.071 5.208 803 2HB ALA 115 2HB ALA 115 -13.803 20.127 5.517 804 3HB ALA 115 3HB ALA 115 -13.984 18.721 4.465 805 H ALA 116 H ALA 116 -10.774 19.041 3.640 806 HA ALA 116 HA ALA 116 -9.073 21.394 4.117 807 1HB ALA 116 1HB ALA 116 -7.693 18.851 4.184 808 2HB ALA 116 2HB ALA 116 -7.807 20.103 5.422 809 3HB ALA 116 3HB ALA 116 -9.064 18.874 5.294 810 H ASN 117 H ASN 117 -7.174 21.655 2.841 811 HA ASN 117 HA ASN 117 -5.967 21.763 0.929 812 1HB ASN 117 2HB ASN 117 -5.811 19.262 1.229 813 2HB ASN 117 1HB ASN 117 -7.175 19.112 0.126 814 1HD2 ASN 117 1HD2 ASN 117 -5.219 17.788 -0.772 815 2HD2 ASN 117 2HD2 ASN 117 -4.306 18.609 -2.001 816 H GLY 118 H GLY 118 -8.768 19.998 -0.379 817 1HA GLY 118 1HA GLY 118 -10.606 21.378 -1.315 818 2HA GLY 118 2HA GLY 118 -9.352 22.390 -2.016 819 H ILE 119 H ILE 119 -7.616 20.523 -3.013 820 HA ILE 119 HA ILE 119 -8.964 18.559 -4.590 821 HB ILE 119 HB ILE 119 -9.454 20.825 -5.725 822 1HG1 ILE 119 2HG1 ILE 119 -8.936 19.788 -8.025 823 1HG2 ILE 119 1HG2 ILE 119 -7.682 21.571 -7.292 824 2HG2 ILE 119 2HG2 ILE 119 -7.285 21.833 -5.592 825 3HG2 ILE 119 3HG2 ILE 119 -6.556 20.488 -6.471 826 1HD1 ILE 119 1HD1 ILE 119 -10.504 17.877 -7.685 827 2HD1 ILE 119 2HD1 ILE 119 -10.514 18.277 -5.966 828 3HD1 ILE 119 3HD1 ILE 119 -11.108 19.443 -7.149 829 H ASP 120 H ASP 120 -7.484 17.240 -5.778 830 HA ASP 120 HA ASP 120 -4.645 17.756 -5.195 831 1HB ASP 120 2HB ASP 120 -5.750 16.070 -3.627 832 2HB ASP 120 1HB ASP 120 -5.907 15.018 -5.030 833 H ASP 121 H ASP 121 -3.248 16.161 -6.508 834 HA ASP 121 HA ASP 121 -4.106 16.351 -9.283 835 1HB ASP 121 2HB ASP 121 -1.786 16.979 -8.472 836 2HB ASP 121 1HB ASP 121 -1.494 15.261 -8.229 837 H GLU 122 H GLU 122 -5.828 14.708 -8.465 838 HA GLU 122 HA GLU 122 -4.829 12.002 -9.052 839 1HB GLU 122 2HB GLU 122 -6.271 12.983 -6.732 840 2HB GLU 122 1HB GLU 122 -7.152 11.690 -7.536 841 1HG GLU 122 2HG GLU 122 -4.265 11.493 -6.724 842 2HG GLU 122 1HG GLU 122 -5.609 10.953 -5.720 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -14.200 2.729 -9.681 2 2H GLY 1 2H GLY 1 -15.029 2.381 -11.119 3 3H GLY 1 3H GLY 1 -14.422 3.938 -10.847 4 1HA GLY 1 2HA GLY 1 -12.568 3.388 -11.885 5 2HA GLY 1 1HA GLY 1 -12.260 2.238 -10.589 6 H SER 2 H SER 2 -11.715 0.340 -11.424 7 HA SER 2 HA SER 2 -13.429 -0.782 -13.526 8 1HB SER 2 2HB SER 2 -10.608 -1.606 -13.682 9 2HB SER 2 1HB SER 2 -11.725 -1.167 -14.974 10 HG SER 2 HG SER 2 -10.172 0.406 -14.923 11 H LEU 3 H LEU 3 -14.370 -1.693 -11.565 12 HA LEU 3 HA LEU 3 -14.769 -3.400 -10.124 13 1HB LEU 3 2HB LEU 3 -13.743 -4.704 -12.180 14 2HB LEU 3 1HB LEU 3 -12.401 -4.954 -11.079 15 HG LEU 3 HG LEU 3 -14.203 -5.835 -9.439 16 1HD1 LEU 3 1HD1 LEU 3 -16.150 -5.108 -10.691 17 2HD1 LEU 3 2HD1 LEU 3 -15.655 -6.092 -12.068 18 3HD1 LEU 3 3HD1 LEU 3 -16.128 -6.867 -10.555 19 1HD2 LEU 3 1HD2 LEU 3 -14.098 -8.088 -10.563 20 2HD2 LEU 3 2HD2 LEU 3 -13.262 -7.290 -11.897 21 3HD2 LEU 3 3HD2 LEU 3 -12.547 -7.297 -10.283 22 H SER 4 H SER 4 -12.965 -1.200 -9.590 23 HA SER 4 HA SER 4 -11.168 -2.384 -7.591 24 1HB SER 4 2HB SER 4 -10.838 0.470 -7.987 25 2HB SER 4 1HB SER 4 -9.656 -0.824 -8.185 26 HG SER 4 HG SER 4 -10.031 -0.879 -10.270 27 H TRP 5 H TRP 5 -11.975 -2.430 -5.618 28 HA TRP 5 HA TRP 5 -13.846 -0.305 -4.826 29 1HB TRP 5 2HB TRP 5 -14.143 -3.094 -4.744 30 2HB TRP 5 1HB TRP 5 -13.901 -2.596 -3.070 31 HD1 TRP 5 HD TRP 5 -16.177 -1.790 -6.070 32 HE1 TRP 5 1HE TRP 5 -18.450 -0.972 -5.156 33 HE3 TRP 5 3HE TRP 5 -15.061 -1.732 -1.093 34 HZ2 TRP 5 2HZ TRP 5 -19.601 -0.388 -2.643 35 HZ3 TRP 5 3HZ TRP 5 -16.791 -1.031 0.503 36 HH2 TRP 5 HH TRP 5 -19.016 -0.370 -0.257 37 H LYS 6 H LYS 6 -13.675 0.617 -2.803 38 HA LYS 6 HA LYS 6 -11.050 1.062 -1.890 39 1HB LYS 6 2HB LYS 6 -13.385 2.394 -1.667 40 2HB LYS 6 1HB LYS 6 -13.291 1.687 -0.062 41 1HG LYS 6 2HG LYS 6 -10.760 2.825 -0.761 42 2HG LYS 6 1HG LYS 6 -12.043 4.013 -0.997 43 1HD LYS 6 2HD LYS 6 -12.223 2.444 1.485 44 2HD LYS 6 1HD LYS 6 -10.830 3.519 1.377 45 1HE LYS 6 2HE LYS 6 -12.172 5.169 2.029 46 2HE LYS 6 1HE LYS 6 -12.968 5.043 0.461 47 1HZ LYS 6 1HZ LYS 6 -14.474 4.908 2.427 48 2HZ LYS 6 2HZ LYS 6 -13.754 3.426 2.821 49 3HZ LYS 6 3HZ LYS 6 -14.598 3.594 1.361 50 H ARG 7 H ARG 7 -10.285 -1.076 -1.441 51 HA ARG 7 HA ARG 7 -11.098 -2.016 1.225 52 1HB ARG 7 2HB ARG 7 -10.541 -4.291 0.581 53 2HB ARG 7 1HB ARG 7 -11.750 -3.642 -0.518 54 1HG ARG 7 2HG ARG 7 -10.408 -4.495 -2.096 55 2HG ARG 7 1HG ARG 7 -9.494 -3.008 -1.851 56 1HD ARG 7 2HD ARG 7 -8.329 -5.379 -1.807 57 2HD ARG 7 1HD ARG 7 -7.797 -4.065 -0.763 58 HE ARG 7 HE ARG 7 -8.529 -5.243 1.067 59 1HH1 ARG 7 2HH1 ARG 7 -9.801 -6.714 -1.850 60 2HH1 ARG 7 1HH1 ARG 7 -10.315 -8.169 -1.049 61 1HH2 ARG 7 2HH2 ARG 7 -9.214 -7.152 2.134 62 2HH2 ARG 7 1HH2 ARG 7 -9.993 -8.412 1.217 63 H CYS 8 H CYS 8 -9.474 -2.652 2.599 64 HA CYS 8 HA CYS 8 -6.878 -1.485 2.070 65 1HB CYS 8 2HB CYS 8 -8.032 -1.089 4.213 66 2HB CYS 8 1HB CYS 8 -8.006 -2.818 4.532 67 H ALA 9 H ALA 9 -4.987 -2.602 1.999 68 HA ALA 9 HA ALA 9 -5.193 -5.526 1.747 69 1HB ALA 9 1HB ALA 9 -3.183 -5.452 0.424 70 2HB ALA 9 2HB ALA 9 -4.325 -4.272 -0.221 71 3HB ALA 9 3HB ALA 9 -2.969 -3.735 0.772 72 H GLY 10 H GLY 10 -4.591 -3.301 3.994 73 1HA GLY 10 1HA GLY 10 -2.124 -4.449 5.045 74 2HA GLY 10 2HA GLY 10 -2.951 -3.019 5.645 75 H CYS 11 H CYS 11 -5.536 -4.136 5.998 76 HA CYS 11 HA CYS 11 -4.929 -6.004 8.189 77 1HB CYS 11 2HB CYS 11 -6.883 -5.025 9.380 78 2HB CYS 11 1HB CYS 11 -5.579 -3.878 9.103 79 H GLY 12 H GLY 12 -8.126 -5.040 7.112 80 1HA GLY 12 1HA GLY 12 -8.667 -7.894 6.607 81 2HA GLY 12 2HA GLY 12 -9.844 -6.725 7.180 82 H GLY 13 H GLY 13 -11.243 -5.982 5.749 83 1HA GLY 13 1HA GLY 13 -10.598 -6.415 2.902 84 2HA GLY 13 2HA GLY 13 -12.202 -6.602 3.593 85 H LYS 14 H LYS 14 -13.541 -5.040 3.115 86 HA LYS 14 HA LYS 14 -12.772 -2.707 1.755 87 1HB LYS 14 2HB LYS 14 -15.359 -3.392 3.148 88 2HB LYS 14 1HB LYS 14 -15.140 -2.011 2.081 89 1HG LYS 14 2HG LYS 14 -15.239 -3.267 0.225 90 2HG LYS 14 1HG LYS 14 -14.329 -4.595 0.945 91 1HD LYS 14 2HD LYS 14 -16.192 -5.695 1.527 92 2HD LYS 14 1HD LYS 14 -16.971 -4.227 2.128 93 1HE LYS 14 2HE LYS 14 -18.158 -4.000 0.260 94 2HE LYS 14 1HE LYS 14 -16.727 -4.192 -0.751 95 1HZ LYS 14 1HZ LYS 14 -18.772 -5.935 -0.613 96 2HZ LYS 14 2HZ LYS 14 -17.657 -6.646 0.446 97 3HZ LYS 14 3HZ LYS 14 -17.214 -6.315 -1.160 98 H ILE 15 H ILE 15 -12.460 -0.642 2.347 99 HA ILE 15 HA ILE 15 -11.922 -0.160 5.155 100 HB ILE 15 HB ILE 15 -11.576 1.755 2.846 101 1HG1 ILE 15 2HG1 ILE 15 -9.517 -0.108 4.049 102 1HG2 ILE 15 1HG2 ILE 15 -10.791 3.206 4.333 103 2HG2 ILE 15 2HG2 ILE 15 -11.375 2.125 5.599 104 3HG2 ILE 15 3HG2 ILE 15 -9.711 2.000 5.029 105 1HD1 ILE 15 1HD1 ILE 15 -8.099 1.386 3.189 106 2HD1 ILE 15 2HD1 ILE 15 -8.535 0.641 1.651 107 3HD1 ILE 15 3HD1 ILE 15 -9.330 2.129 2.168 108 H ALA 16 H ALA 16 -13.679 0.265 6.323 109 HA ALA 16 HA ALA 16 -15.851 1.885 5.266 110 1HB ALA 16 1HB ALA 16 -16.125 1.393 8.058 111 2HB ALA 16 2HB ALA 16 -17.065 0.729 6.722 112 3HB ALA 16 3HB ALA 16 -15.608 -0.099 7.270 113 H ASP 17 H ASP 17 -12.901 2.371 6.629 114 HA ASP 17 HA ASP 17 -13.376 4.571 8.365 115 1HB ASP 17 2HB ASP 17 -11.012 3.326 7.065 116 2HB ASP 17 1HB ASP 17 -10.851 5.016 7.525 117 H ARG 18 H ARG 18 -13.032 6.793 7.936 118 HA ARG 18 HA ARG 18 -13.701 7.535 5.190 119 1HB ARG 18 2HB ARG 18 -13.999 9.827 6.167 120 2HB ARG 18 1HB ARG 18 -15.078 8.602 6.816 121 1HG ARG 18 2HG ARG 18 -12.625 8.854 8.352 122 2HG ARG 18 1HG ARG 18 -13.544 10.358 8.262 123 1HD ARG 18 2HD ARG 18 -14.388 7.699 9.373 124 2HD ARG 18 1HD ARG 18 -14.391 9.277 10.159 125 HE ARG 18 HE ARG 18 -16.254 9.882 8.675 126 1HH1 ARG 18 2HH1 ARG 18 -15.585 6.486 9.272 127 2HH1 ARG 18 1HH1 ARG 18 -17.156 5.960 8.733 128 1HH2 ARG 18 2HH2 ARG 18 -18.322 9.184 7.991 129 2HH2 ARG 18 1HH2 ARG 18 -18.701 7.486 7.984 130 H PHE 19 H PHE 19 -11.046 7.383 7.314 131 HA PHE 19 HA PHE 19 -9.461 9.020 5.448 132 1HB PHE 19 2HB PHE 19 -8.770 8.389 8.326 133 2HB PHE 19 1HB PHE 19 -7.899 9.473 7.244 134 HD1 PHE 19 1HD PHE 19 -9.678 9.636 10.033 135 HD2 PHE 19 2HD PHE 19 -9.947 11.092 6.045 136 HE1 PHE 19 1HE PHE 19 -11.076 11.504 10.812 137 HE2 PHE 19 2HE PHE 19 -11.343 12.964 6.817 138 HZ PHE 19 HZ PHE 19 -11.908 13.171 9.204 139 H LEU 20 H LEU 20 -8.297 7.817 4.126 140 HA LEU 20 HA LEU 20 -6.923 5.473 5.133 141 1HB LEU 20 2HB LEU 20 -7.795 3.936 3.560 142 2HB LEU 20 1HB LEU 20 -9.156 4.694 4.345 143 HG LEU 20 HG LEU 20 -9.970 4.708 2.244 144 1HD1 LEU 20 1HD1 LEU 20 -8.295 6.987 1.409 145 2HD1 LEU 20 2HD1 LEU 20 -10.048 6.786 1.392 146 3HD1 LEU 20 3HD1 LEU 20 -9.221 7.174 2.900 147 1HD2 LEU 20 1HD2 LEU 20 -7.435 3.830 1.594 148 2HD2 LEU 20 2HD2 LEU 20 -8.843 3.892 0.534 149 3HD2 LEU 20 3HD2 LEU 20 -7.695 5.230 0.554 150 H LEU 21 H LEU 21 -5.678 4.459 3.101 151 HA LEU 21 HA LEU 21 -4.546 6.705 1.579 152 1HB LEU 21 2HB LEU 21 -3.306 5.573 3.750 153 2HB LEU 21 1HB LEU 21 -2.640 4.635 2.428 154 HG LEU 21 HG LEU 21 -1.707 6.580 1.397 155 1HD1 LEU 21 1HD1 LEU 21 -2.021 8.782 2.852 156 2HD1 LEU 21 2HD1 LEU 21 -3.118 8.351 1.541 157 3HD1 LEU 21 3HD1 LEU 21 -3.563 8.006 3.212 158 1HD2 LEU 21 1HD2 LEU 21 -1.061 5.775 4.040 159 2HD2 LEU 21 2HD2 LEU 21 0.003 6.445 2.805 160 3HD2 LEU 21 3HD2 LEU 21 -0.833 7.518 3.925 161 H TYR 22 H TYR 22 -3.423 6.030 -0.374 162 HA TYR 22 HA TYR 22 -4.224 3.343 -1.291 163 1HB TYR 22 2HB TYR 22 -3.954 5.679 -3.172 164 2HB TYR 22 1HB TYR 22 -4.799 4.158 -3.423 165 HD1 TYR 22 1HD TYR 22 -7.109 4.032 -3.075 166 HD2 TYR 22 2HD TYR 22 -4.972 7.327 -1.456 167 HE1 TYR 22 1HE TYR 22 -9.233 5.112 -2.492 168 HE2 TYR 22 2HE TYR 22 -7.085 8.412 -0.861 169 HH TYR 22 HH TYR 22 -9.306 8.142 -0.653 170 H ALA 23 H ALA 23 -2.550 2.119 -2.085 171 HA ALA 23 HA ALA 23 -0.136 3.448 -3.016 172 1HB ALA 23 1HB ALA 23 -0.343 2.753 -0.330 173 2HB ALA 23 2HB ALA 23 0.653 1.490 -1.056 174 3HB ALA 23 3HB ALA 23 1.123 3.183 -1.214 175 H MET 24 H MET 24 1.012 2.288 -4.417 176 HA MET 24 HA MET 24 1.599 0.650 -5.876 177 1HB MET 24 2HB MET 24 1.118 -0.867 -3.335 178 2HB MET 24 1HB MET 24 1.568 -1.720 -4.806 179 1HG MET 24 2HG MET 24 3.598 -1.389 -3.792 180 2HG MET 24 1HG MET 24 3.515 -0.029 -4.909 181 1HE MET 24 1HE MET 24 2.183 0.083 -0.640 182 2HE MET 24 2HE MET 24 2.576 -1.334 -1.616 183 3HE MET 24 3HE MET 24 3.831 -0.545 -0.661 184 H ASP 25 H ASP 25 -1.031 1.540 -6.088 185 HA ASP 25 HA ASP 25 -2.922 1.117 -7.243 186 1HB ASP 25 2HB ASP 25 -1.138 -1.072 -8.110 187 2HB ASP 25 1HB ASP 25 -2.857 -1.326 -8.401 188 H SER 26 H SER 26 -2.324 -0.071 -4.457 189 HA SER 26 HA SER 26 -4.889 -1.495 -4.322 190 1HB SER 26 2HB SER 26 -3.262 -2.146 -2.037 191 2HB SER 26 1HB SER 26 -3.980 -3.238 -3.221 192 HG SER 26 HG SER 26 -1.893 -2.062 -4.360 193 H TYR 27 H TYR 27 -5.953 -1.141 -2.152 194 HA TYR 27 HA TYR 27 -5.288 1.566 -1.237 195 1HB TYR 27 2HB TYR 27 -7.922 0.165 -0.799 196 2HB TYR 27 1HB TYR 27 -7.565 1.878 -0.612 197 HD1 TYR 27 1HD TYR 27 -6.105 2.435 -3.164 198 HD2 TYR 27 2HD TYR 27 -9.593 0.113 -2.410 199 HE1 TYR 27 1HE TYR 27 -6.860 2.820 -5.472 200 HE2 TYR 27 2HE TYR 27 -10.361 0.506 -4.710 201 HH TYR 27 HH TYR 27 -8.333 2.126 -7.085 202 H TRP 28 H TRP 28 -5.351 2.018 0.990 203 HA TRP 28 HA TRP 28 -4.945 -0.271 2.788 204 1HB TRP 28 2HB TRP 28 -2.989 2.012 2.364 205 2HB TRP 28 1HB TRP 28 -2.825 0.749 3.568 206 HD1 TRP 28 HD TRP 28 -2.772 1.174 -0.278 207 HE1 TRP 28 1HE TRP 28 -1.240 -0.642 -1.265 208 HE3 TRP 28 3HE TRP 28 -1.706 -1.398 4.007 209 HZ2 TRP 28 2HZ TRP 28 0.218 -2.866 -0.348 210 HZ3 TRP 28 3HZ TRP 28 -0.231 -3.360 3.864 211 HH2 TRP 28 HH TRP 28 0.714 -4.077 1.729 212 H HIS 29 H HIS 29 -4.259 0.740 5.010 213 HA HIS 29 HA HIS 29 -5.955 3.081 5.583 214 1HB HIS 29 2HB HIS 29 -5.008 0.801 7.291 215 2HB HIS 29 1HB HIS 29 -5.292 2.368 8.039 216 HD2 HIS 29 2HD HIS 29 -8.045 3.318 7.526 217 HE1 HIS 29 1HE HIS 29 -9.408 -0.690 7.447 218 HE2 HIS 29 2HE HIS 29 -10.057 1.719 7.907 219 H SER 30 H SER 30 -4.879 4.640 7.127 220 HA SER 30 HA SER 30 -2.271 5.337 6.236 221 1HB SER 30 2HB SER 30 -3.017 6.459 8.813 222 2HB SER 30 1HB SER 30 -2.778 7.270 7.269 223 HG SER 30 HG SER 30 -5.027 7.024 8.442 224 H ARG 31 H ARG 31 -3.592 3.604 8.947 225 HA ARG 31 HA ARG 31 -1.046 3.294 10.286 226 1HB ARG 31 2HB ARG 31 -3.242 3.552 11.472 227 2HB ARG 31 1HB ARG 31 -3.688 1.957 10.885 228 1HG ARG 31 2HG ARG 31 -1.404 1.294 12.044 229 2HG ARG 31 1HG ARG 31 -1.762 2.737 12.997 230 1HD ARG 31 2HD ARG 31 -3.860 0.649 12.546 231 2HD ARG 31 1HD ARG 31 -2.637 0.428 13.798 232 HE ARG 31 HE ARG 31 -3.447 2.705 14.616 233 1HH1 ARG 31 2HH1 ARG 31 -5.534 0.466 12.900 234 2HH1 ARG 31 1HH1 ARG 31 -6.972 0.957 13.748 235 1HH2 ARG 31 2HH2 ARG 31 -5.334 3.371 15.715 236 2HH2 ARG 31 1HH2 ARG 31 -6.854 2.592 15.373 237 H CYS 32 H CYS 32 -2.784 1.626 7.861 238 HA CYS 32 HA CYS 32 -1.514 -0.926 8.459 239 1HB CYS 32 2HB CYS 32 -3.540 -0.136 6.368 240 2HB CYS 32 1HB CYS 32 -2.869 -1.758 6.531 241 H LEU 33 H LEU 33 -1.289 1.706 6.168 242 HA LEU 33 HA LEU 33 0.652 0.280 4.545 243 1HB LEU 33 2HB LEU 33 -0.828 1.918 3.466 244 2HB LEU 33 1HB LEU 33 -0.173 3.184 4.489 245 HG LEU 33 HG LEU 33 2.089 2.685 3.477 246 1HD1 LEU 33 1HD1 LEU 33 1.668 1.674 1.068 247 2HD1 LEU 33 2HD1 LEU 33 2.058 0.657 2.456 248 3HD1 LEU 33 3HD1 LEU 33 0.385 0.821 1.924 249 1HD2 LEU 33 1HD2 LEU 33 1.192 3.657 1.150 250 2HD2 LEU 33 2HD2 LEU 33 -0.224 3.949 2.161 251 3HD2 LEU 33 3HD2 LEU 33 1.343 4.624 2.617 252 H LYS 34 H LYS 34 2.172 -0.240 6.057 253 HA LYS 34 HA LYS 34 3.711 2.015 7.162 254 1HB LYS 34 2HB LYS 34 4.227 0.022 8.922 255 2HB LYS 34 1HB LYS 34 2.954 1.212 9.143 256 1HG LYS 34 2HG LYS 34 1.725 -0.639 9.509 257 2HG LYS 34 1HG LYS 34 1.586 -0.610 7.750 258 1HD LYS 34 2HD LYS 34 3.674 -2.076 7.733 259 2HD LYS 34 1HD LYS 34 3.388 -2.304 9.460 260 1HE LYS 34 2HE LYS 34 1.227 -2.800 7.445 261 2HE LYS 34 1HE LYS 34 2.429 -4.035 7.816 262 1HZ LYS 34 1HZ LYS 34 1.271 -2.861 10.163 263 2HZ LYS 34 2HZ LYS 34 1.449 -4.494 9.740 264 3HZ LYS 34 3HZ LYS 34 0.115 -3.615 9.172 265 H CYS 35 H CYS 35 5.948 1.641 7.475 266 HA CYS 35 HA CYS 35 7.206 0.142 5.415 267 1HB CYS 35 2HB CYS 35 8.115 2.251 6.556 268 2HB CYS 35 1HB CYS 35 8.538 1.214 7.910 269 H SER 36 H SER 36 8.583 -1.692 5.712 270 HA SER 36 HA SER 36 7.587 -3.572 7.661 271 1HB SER 36 2HB SER 36 9.973 -3.989 5.860 272 2HB SER 36 1HB SER 36 8.891 -5.205 6.540 273 HG SER 36 HG SER 36 8.281 -3.279 4.538 274 H SER 37 H SER 37 10.009 -1.206 7.524 275 HA SER 37 HA SER 37 11.456 -2.450 9.767 276 1HB SER 37 2HB SER 37 12.662 -0.092 8.482 277 2HB SER 37 1HB SER 37 13.391 -1.631 8.934 278 HG SER 37 HG SER 37 12.540 -0.808 6.525 279 H CYS 38 H CYS 38 9.922 0.506 8.636 280 HA CYS 38 HA CYS 38 10.424 1.771 11.220 281 1HB CYS 38 2HB CYS 38 9.304 2.994 8.701 282 2HB CYS 38 1HB CYS 38 9.910 3.850 10.116 283 H GLN 39 H GLN 39 7.746 0.972 9.085 284 HA GLN 39 HA GLN 39 5.524 0.700 9.439 285 1HB GLN 39 2HB GLN 39 6.486 0.842 12.229 286 2HB GLN 39 1HB GLN 39 4.792 1.241 11.982 287 1HG GLN 39 2HG GLN 39 4.605 -0.995 12.314 288 2HG GLN 39 1HG GLN 39 4.841 -0.989 10.567 289 1HE2 GLN 39 1HE2 GLN 39 5.604 -3.137 10.721 290 2HE2 GLN 39 2HE2 GLN 39 7.209 -3.471 11.273 291 H ALA 40 H ALA 40 7.023 3.525 10.925 292 HA ALA 40 HA ALA 40 4.574 5.060 10.448 293 1HB ALA 40 1HB ALA 40 5.838 5.108 12.653 294 2HB ALA 40 2HB ALA 40 7.047 6.079 11.813 295 3HB ALA 40 3HB ALA 40 5.388 6.663 11.953 296 H GLN 41 H GLN 41 7.815 4.737 9.279 297 HA GLN 41 HA GLN 41 8.207 7.254 8.205 298 1HB GLN 41 2HB GLN 41 9.703 5.002 8.423 299 2HB GLN 41 1HB GLN 41 9.413 5.040 6.689 300 1HG GLN 41 2HG GLN 41 11.301 6.273 6.745 301 2HG GLN 41 1HG GLN 41 10.140 7.572 7.017 302 1HE2 GLN 41 1HE2 GLN 41 11.824 5.099 8.940 303 2HE2 GLN 41 2HE2 GLN 41 12.307 6.178 10.210 304 H LEU 42 H LEU 42 6.322 4.653 6.933 305 HA LEU 42 HA LEU 42 6.421 5.237 4.206 306 1HB LEU 42 2HB LEU 42 4.701 3.683 5.994 307 2HB LEU 42 1HB LEU 42 3.873 4.281 4.569 308 HG LEU 42 HG LEU 42 5.202 1.931 4.674 309 1HD1 LEU 42 1HD1 LEU 42 5.019 3.651 2.214 310 2HD1 LEU 42 2HD1 LEU 42 5.076 1.890 2.287 311 3HD1 LEU 42 3HD1 LEU 42 3.674 2.753 2.917 312 1HD2 LEU 42 1HD2 LEU 42 7.300 3.684 4.722 313 2HD2 LEU 42 2HD2 LEU 42 7.376 2.013 4.159 314 3HD2 LEU 42 3HD2 LEU 42 7.149 3.326 3.004 315 H GLY 43 H GLY 43 4.594 6.729 6.780 316 1HA GLY 43 1HA GLY 43 3.563 8.644 4.787 317 2HA GLY 43 2HA GLY 43 2.543 8.058 6.095 318 H ASP 44 H ASP 44 5.967 8.868 6.338 319 HA ASP 44 HA ASP 44 5.219 11.093 8.125 320 1HB ASP 44 2HB ASP 44 6.148 9.085 9.310 321 2HB ASP 44 1HB ASP 44 7.653 9.326 8.430 322 H ILE 45 H ILE 45 8.119 9.847 6.471 323 HA ILE 45 HA ILE 45 9.171 12.505 6.132 324 HB ILE 45 HB ILE 45 11.006 11.288 4.877 325 1HG1 ILE 45 2HG1 ILE 45 10.250 8.705 6.021 326 1HG2 ILE 45 1HG2 ILE 45 10.579 10.118 7.604 327 2HG2 ILE 45 2HG2 ILE 45 12.081 10.648 6.844 328 3HG2 ILE 45 3HG2 ILE 45 10.897 11.841 7.379 329 1HD1 ILE 45 1HD1 ILE 45 10.731 9.145 3.123 330 2HD1 ILE 45 2HD1 ILE 45 12.068 9.337 4.256 331 3HD1 ILE 45 3HD1 ILE 45 11.210 7.799 4.159 332 H GLY 46 H GLY 46 6.721 12.255 4.811 333 1HA GLY 46 1HA GLY 46 5.936 13.072 2.747 334 2HA GLY 46 2HA GLY 46 7.516 12.740 2.041 335 H THR 47 H THR 47 4.538 11.887 1.539 336 HA THR 47 HA THR 47 4.609 9.072 1.942 337 HB THR 47 HB THR 47 2.592 9.482 0.124 338 HG1 THR 47 1HG THR 47 2.062 11.673 1.645 339 1HG2 THR 47 1HG2 THR 47 1.326 10.040 2.446 340 2HG2 THR 47 2HG2 THR 47 2.846 9.391 3.064 341 3HG2 THR 47 3HG2 THR 47 1.847 8.418 1.984 342 H SER 48 H SER 48 6.090 7.955 0.872 343 HA SER 48 HA SER 48 5.902 7.701 -1.989 344 1HB SER 48 2HB SER 48 8.688 8.072 -1.567 345 2HB SER 48 1HB SER 48 7.606 9.036 -2.570 346 HG SER 48 HG SER 48 7.556 9.516 0.177 347 H SER 49 H SER 49 5.881 5.550 -2.204 348 HA SER 49 HA SER 49 7.573 3.948 -0.422 349 1HB SER 49 2HB SER 49 5.969 2.087 -1.361 350 2HB SER 49 1HB SER 49 5.399 3.181 -0.102 351 HG SER 49 HG SER 49 4.204 2.774 -2.312 352 H TYR 50 H TYR 50 8.298 1.816 -1.503 353 HA TYR 50 HA TYR 50 8.959 2.214 -4.331 354 1HB TYR 50 2HB TYR 50 10.848 2.089 -2.053 355 2HB TYR 50 1HB TYR 50 11.286 1.153 -3.477 356 HD1 TYR 50 1HD TYR 50 12.082 4.044 -1.987 357 HD2 TYR 50 2HD TYR 50 10.506 2.737 -5.717 358 HE1 TYR 50 1HE TYR 50 12.962 6.066 -3.070 359 HE2 TYR 50 2HE TYR 50 11.394 4.746 -6.802 360 HH TYR 50 HH TYR 50 12.364 7.442 -5.187 361 H THR 51 H THR 51 8.336 0.480 -5.413 362 HA THR 51 HA THR 51 7.804 -1.992 -4.016 363 HB THR 51 HB THR 51 7.346 -2.318 -6.789 364 HG1 THR 51 1HG THR 51 7.331 -0.178 -7.246 365 1HG2 THR 51 1HG2 THR 51 5.448 -1.644 -4.544 366 2HG2 THR 51 2HG2 THR 51 5.993 -3.261 -4.990 367 3HG2 THR 51 3HG2 THR 51 4.992 -2.329 -6.103 368 H LYS 52 H LYS 52 9.548 -3.223 -3.639 369 HA LYS 52 HA LYS 52 10.752 -4.533 -5.856 370 1HB LYS 52 2HB LYS 52 13.142 -4.034 -4.678 371 2HB LYS 52 1HB LYS 52 12.541 -3.152 -6.072 372 1HG LYS 52 2HG LYS 52 13.087 -1.390 -4.791 373 2HG LYS 52 1HG LYS 52 11.480 -1.668 -4.126 374 1HD LYS 52 2HD LYS 52 13.158 -3.375 -2.701 375 2HD LYS 52 1HD LYS 52 14.053 -1.860 -2.842 376 1HE LYS 52 2HE LYS 52 12.740 -1.767 -0.848 377 2HE LYS 52 1HE LYS 52 12.027 -0.667 -2.028 378 1HZ LYS 52 1HZ LYS 52 10.957 -3.333 -2.140 379 2HZ LYS 52 2HZ LYS 52 10.150 -1.841 -2.085 380 3HZ LYS 52 3HZ LYS 52 10.687 -2.570 -0.654 381 H SER 53 H SER 53 11.494 -6.549 -5.278 382 HA SER 53 HA SER 53 11.787 -8.426 -4.027 383 1HB SER 53 2HB SER 53 12.080 -6.782 -1.530 384 2HB SER 53 1HB SER 53 12.890 -8.287 -1.972 385 HG SER 53 HG SER 53 13.779 -6.858 -3.781 386 H GLY 54 H GLY 54 9.164 -6.559 -3.815 387 1HA GLY 54 1HA GLY 54 7.032 -6.916 -3.020 388 2HA GLY 54 2HA GLY 54 7.548 -8.525 -2.533 389 H MET 55 H MET 55 9.479 -5.999 -1.344 390 HA MET 55 HA MET 55 8.245 -6.321 1.301 391 1HB MET 55 2HB MET 55 10.278 -6.973 1.973 392 2HB MET 55 1HB MET 55 10.906 -6.712 0.355 393 1HG MET 55 2HG MET 55 10.639 -4.275 1.952 394 2HG MET 55 1HG MET 55 11.786 -5.454 2.587 395 1HE MET 55 1HE MET 55 14.693 -5.100 1.218 396 2HE MET 55 2HE MET 55 13.550 -6.377 1.639 397 3HE MET 55 3HE MET 55 14.137 -6.231 -0.017 398 H ILE 56 H ILE 56 7.220 -4.606 2.003 399 HA ILE 56 HA ILE 56 7.304 -2.130 0.654 400 HB ILE 56 HB ILE 56 6.063 -2.873 3.306 401 1HG1 ILE 56 2HG1 ILE 56 4.982 -2.575 0.498 402 1HG2 ILE 56 1HG2 ILE 56 6.097 -0.618 3.613 403 2HG2 ILE 56 2HG2 ILE 56 6.197 -0.273 1.886 404 3HG2 ILE 56 3HG2 ILE 56 4.652 -0.726 2.606 405 1HD1 ILE 56 1HD1 ILE 56 3.046 -3.658 2.263 406 2HD1 ILE 56 2HD1 ILE 56 3.565 -2.094 2.889 407 3HD1 ILE 56 3HD1 ILE 56 2.937 -2.222 1.243 408 H LEU 57 H LEU 57 8.873 -0.679 0.749 409 HA LEU 57 HA LEU 57 10.208 -0.196 3.338 410 1HB LEU 57 2HB LEU 57 11.362 -0.006 0.553 411 2HB LEU 57 1HB LEU 57 12.142 0.667 1.966 412 HG LEU 57 HG LEU 57 11.650 -2.244 1.373 413 1HD1 LEU 57 1HD1 LEU 57 13.552 -1.131 0.233 414 2HD1 LEU 57 2HD1 LEU 57 14.210 -0.720 1.819 415 3HD1 LEU 57 3HD1 LEU 57 14.045 -2.411 1.342 416 1HD2 LEU 57 1HD2 LEU 57 12.719 -2.739 3.496 417 2HD2 LEU 57 2HD2 LEU 57 12.832 -1.017 3.863 418 3HD2 LEU 57 3HD2 LEU 57 11.252 -1.795 3.754 419 H CYS 58 H CYS 58 11.006 2.022 3.578 420 HA CYS 58 HA CYS 58 9.140 3.967 2.490 421 1HB CYS 58 2HB CYS 58 10.378 5.544 4.023 422 2HB CYS 58 1HB CYS 58 9.565 4.213 4.840 423 H ARG 59 H ARG 59 10.283 6.122 1.888 424 HA ARG 59 HA ARG 59 11.888 5.648 -0.390 425 1HB ARG 59 2HB ARG 59 10.424 7.791 0.666 426 2HB ARG 59 1HB ARG 59 12.086 8.363 0.593 427 1HG ARG 59 2HG ARG 59 10.844 7.020 -1.770 428 2HG ARG 59 1HG ARG 59 10.529 8.723 -1.433 429 1HD ARG 59 2HD ARG 59 13.258 7.484 -1.766 430 2HD ARG 59 1HD ARG 59 12.397 8.400 -3.004 431 HE ARG 59 HE ARG 59 13.379 9.515 -0.449 432 1HH1 ARG 59 2HH1 ARG 59 12.421 9.887 -3.807 433 2HH1 ARG 59 1HH1 ARG 59 12.934 11.545 -3.897 434 1HH2 ARG 59 2HH2 ARG 59 14.060 11.684 -0.564 435 2HH2 ARG 59 1HH2 ARG 59 13.886 12.565 -2.053 436 H ASN 60 H ASN 60 12.606 6.327 2.942 437 HA ASN 60 HA ASN 60 15.361 7.033 2.435 438 1HB ASN 60 2HB ASN 60 14.108 8.023 4.332 439 2HB ASN 60 1HB ASN 60 14.003 6.427 5.067 440 1HD2 ASN 60 1HD2 ASN 60 15.457 6.034 6.562 441 2HD2 ASN 60 2HD2 ASN 60 17.036 6.753 6.667 442 H ASP 61 H ASP 61 13.566 4.206 3.588 443 HA ASP 61 HA ASP 61 15.882 2.718 4.304 444 1HB ASP 61 2HB ASP 61 12.995 2.135 4.009 445 2HB ASP 61 1HB ASP 61 14.086 0.762 3.853 446 H TYR 62 H TYR 62 14.180 3.251 1.343 447 HA TYR 62 HA TYR 62 15.249 1.131 -0.175 448 1HB TYR 62 2HB TYR 62 13.413 2.676 -0.919 449 2HB TYR 62 1HB TYR 62 14.639 3.915 -1.172 450 HD1 TYR 62 1HD TYR 62 15.703 4.067 -3.245 451 HD2 TYR 62 2HD TYR 62 13.782 0.434 -2.156 452 HE1 TYR 62 1HE TYR 62 16.146 3.169 -5.489 453 HE2 TYR 62 2HE TYR 62 14.211 -0.484 -4.391 454 HH TYR 62 HH TYR 62 15.610 1.528 -6.954 455 H ILE 63 H ILE 63 16.426 4.428 0.447 456 HA ILE 63 HA ILE 63 18.838 4.055 -1.036 457 HB ILE 63 HB ILE 63 18.520 6.097 1.143 458 1HG1 ILE 63 2HG1 ILE 63 17.457 6.325 -1.682 459 1HG2 ILE 63 1HG2 ILE 63 20.696 6.024 0.155 460 2HG2 ILE 63 2HG2 ILE 63 20.016 6.001 -1.472 461 3HG2 ILE 63 3HG2 ILE 63 19.869 7.448 -0.476 462 1HD1 ILE 63 1HD1 ILE 63 17.478 8.257 0.610 463 2HD1 ILE 63 2HD1 ILE 63 18.082 8.489 -1.031 464 3HD1 ILE 63 3HD1 ILE 63 16.347 8.379 -0.737 465 H ARG 64 H ARG 64 17.796 3.399 2.193 466 HA ARG 64 HA ARG 64 20.282 3.222 3.495 467 1HB ARG 64 2HB ARG 64 17.595 2.823 4.165 468 2HB ARG 64 1HB ARG 64 18.368 1.274 4.462 469 1HG ARG 64 2HG ARG 64 20.088 3.183 5.552 470 2HG ARG 64 1HG ARG 64 18.461 3.689 6.006 471 1HD ARG 64 2HD ARG 64 19.669 0.964 6.454 472 2HD ARG 64 1HD ARG 64 19.412 2.201 7.683 473 HE ARG 64 HE ARG 64 16.925 1.773 6.600 474 1HH1 ARG 64 2HH1 ARG 64 19.339 -0.245 8.153 475 2HH1 ARG 64 1HH1 ARG 64 18.173 -1.376 8.782 476 1HH2 ARG 64 2HH2 ARG 64 15.401 0.318 7.433 477 2HH2 ARG 64 1HH2 ARG 64 15.921 -1.043 8.391 478 H LEU 65 H LEU 65 18.317 0.721 1.890 479 HA LEU 65 HA LEU 65 20.559 -1.139 2.210 480 1HB LEU 65 2HB LEU 65 17.869 -1.965 1.205 481 2HB LEU 65 1HB LEU 65 19.045 -2.890 2.118 482 HG LEU 65 HG LEU 65 17.619 -0.564 3.369 483 1HD1 LEU 65 1HD1 LEU 65 16.144 -2.481 4.336 484 2HD1 LEU 65 2HD1 LEU 65 15.751 -1.766 2.772 485 3HD1 LEU 65 3HD1 LEU 65 16.590 -3.315 2.845 486 1HD2 LEU 65 1HD2 LEU 65 17.983 -2.168 5.371 487 2HD2 LEU 65 2HD2 LEU 65 19.172 -2.935 4.320 488 3HD2 LEU 65 3HD2 LEU 65 19.344 -1.234 4.752 489 H PHE 66 H PHE 66 18.381 0.112 -0.294 490 HA PHE 66 HA PHE 66 19.823 -1.389 -2.335 491 1HB PHE 66 2HB PHE 66 17.272 0.207 -2.329 492 2HB PHE 66 1HB PHE 66 18.025 -0.307 -3.835 493 HD1 PHE 66 1HD PHE 66 17.079 -1.798 -0.541 494 HD2 PHE 66 2HD PHE 66 17.223 -2.240 -4.772 495 HE1 PHE 66 1HE PHE 66 15.964 -3.979 -0.345 496 HE2 PHE 66 2HE PHE 66 16.107 -4.425 -4.583 497 HZ PHE 66 HZ PHE 66 15.477 -5.297 -2.368 498 H GLY 67 H GLY 67 19.719 1.769 -1.031 499 1HA GLY 67 1HA GLY 67 20.529 3.183 -3.379 500 2HA GLY 67 2HA GLY 67 20.524 3.804 -1.738 501 H ASN 68 H ASN 68 22.347 1.686 -3.920 502 HA ASN 68 HA ASN 68 24.792 2.557 -2.521 503 1HB ASN 68 2HB ASN 68 23.811 0.012 -2.453 504 2HB ASN 68 1HB ASN 68 24.901 -0.074 -3.833 505 1HD2 ASN 68 1HD2 ASN 68 26.987 -0.362 -3.459 506 2HD2 ASN 68 2HD2 ASN 68 27.760 -0.212 -1.913 507 H SER 69 H SER 69 23.159 2.864 -5.302 508 HA SER 69 HA SER 69 25.226 2.331 -7.209 509 1HB SER 69 2HB SER 69 23.152 4.128 -8.153 510 2HB SER 69 1HB SER 69 23.531 2.487 -8.676 511 HG SER 69 HG SER 69 21.384 2.869 -7.681 512 H GLY 70 H GLY 70 24.251 5.060 -5.295 513 1HA GLY 70 1HA GLY 70 25.589 6.949 -4.894 514 2HA GLY 70 2HA GLY 70 26.519 6.567 -6.336 515 H ALA 71 H ALA 71 24.423 8.715 -5.044 516 HA ALA 71 HA ALA 71 23.533 9.598 -7.713 517 1HB ALA 71 1HB ALA 71 21.817 8.667 -5.805 518 2HB ALA 71 2HB ALA 71 21.803 10.402 -5.496 519 3HB ALA 71 3HB ALA 71 21.386 9.789 -7.096 520 H GLY 72 H GLY 72 22.963 11.948 -7.719 521 1HA GLY 72 1HA GLY 72 24.764 13.426 -5.898 522 2HA GLY 72 2HA GLY 72 24.543 13.855 -7.589 523 H GLY 73 H GLY 73 23.432 14.266 -4.405 524 1HA GLY 73 1HA GLY 73 20.768 15.065 -4.903 525 2HA GLY 73 2HA GLY 73 21.707 15.452 -3.469 526 H SER 74 H SER 74 23.713 16.679 -5.517 527 HA SER 74 HA SER 74 22.638 19.346 -5.329 528 1HB SER 74 2HB SER 74 25.034 19.223 -6.909 529 2HB SER 74 1HB SER 74 24.805 19.900 -5.296 530 HG SER 74 HG SER 74 25.566 17.277 -6.039 531 H GLY 75 H GLY 75 20.841 18.278 -6.807 532 1HA GLY 75 1HA GLY 75 21.147 19.560 -9.375 533 2HA GLY 75 2HA GLY 75 21.013 17.808 -9.470 534 H GLY 76 H GLY 76 19.102 16.789 -8.727 535 1HA GLY 76 1HA GLY 76 16.710 18.395 -9.071 536 2HA GLY 76 2HA GLY 76 16.777 16.663 -8.761 537 H HIS 77 H HIS 77 15.501 19.264 -7.507 538 HA HIS 77 HA HIS 77 16.459 19.102 -4.790 539 1HB HIS 77 2HB HIS 77 15.128 21.034 -6.288 540 2HB HIS 77 1HB HIS 77 13.928 20.497 -5.117 541 HD1 HIS 77 1HD HIS 77 13.930 21.966 -3.136 542 HD2 HIS 77 2HD HIS 77 17.758 21.473 -4.697 543 HE1 HIS 77 1HE HIS 77 15.451 23.308 -1.648 544 HE2 HIS 77 2HE HIS 77 17.740 23.106 -2.684 545 H MET 78 H MET 78 15.834 16.640 -5.162 546 HA MET 78 HA MET 78 13.235 16.266 -3.824 547 1HB MET 78 2HB MET 78 14.437 14.668 -6.080 548 2HB MET 78 1HB MET 78 13.204 13.994 -5.024 549 1HG MET 78 2HG MET 78 11.703 14.839 -6.406 550 2HG MET 78 1HG MET 78 12.159 16.434 -5.808 551 1HE MET 78 1HE MET 78 12.496 18.114 -7.068 552 2HE MET 78 2HE MET 78 13.218 18.254 -8.671 553 3HE MET 78 3HE MET 78 11.551 17.702 -8.498 554 H GLY 79 H GLY 79 16.119 16.479 -2.961 555 1HA GLY 79 1HA GLY 79 17.057 15.570 -1.004 556 2HA GLY 79 2HA GLY 79 16.073 14.129 -1.222 557 H SER 80 H SER 80 16.762 12.512 -2.635 558 HA SER 80 HA SER 80 19.588 12.210 -2.797 559 1HB SER 80 2HB SER 80 18.278 10.258 -4.387 560 2HB SER 80 1HB SER 80 18.919 10.070 -2.753 561 HG SER 80 HG SER 80 16.441 9.876 -3.395 562 H GLY 81 H GLY 81 17.147 13.376 -4.923 563 1HA GLY 81 1HA GLY 81 18.558 14.687 -6.749 564 2HA GLY 81 2HA GLY 81 18.785 13.034 -7.303 565 H GLY 82 H GLY 82 17.000 11.857 -8.075 566 1HA GLY 82 1HA GLY 82 14.904 11.541 -8.974 567 2HA GLY 82 2HA GLY 82 14.388 13.020 -8.179 568 H ASP 83 H ASP 83 15.248 15.056 -9.180 569 HA ASP 83 HA ASP 83 15.303 16.508 -10.914 570 1HB ASP 83 2HB ASP 83 17.229 14.720 -11.523 571 2HB ASP 83 1HB ASP 83 16.179 14.505 -12.918 572 H VAL 84 H VAL 84 12.923 15.075 -10.364 573 HA VAL 84 HA VAL 84 11.672 14.341 -12.845 574 HB VAL 84 HB VAL 84 9.606 14.157 -11.595 575 1HG1 VAL 84 1HG1 VAL 84 12.084 12.903 -10.639 576 2HG1 VAL 84 2HG1 VAL 84 10.707 12.781 -9.546 577 3HG1 VAL 84 3HG1 VAL 84 10.579 12.171 -11.195 578 1HG2 VAL 84 1HG2 VAL 84 9.303 14.844 -9.357 579 2HG2 VAL 84 2HG2 VAL 84 11.022 15.165 -9.142 580 3HG2 VAL 84 3HG2 VAL 84 10.054 16.210 -10.179 581 H MET 85 H MET 85 9.933 15.479 -13.844 582 HA MET 85 HA MET 85 8.911 17.297 -14.741 583 1HB MET 85 2HB MET 85 8.850 17.812 -12.024 584 2HB MET 85 1HB MET 85 9.581 19.266 -12.689 585 1HG MET 85 2HG MET 85 7.703 19.680 -14.071 586 2HG MET 85 1HG MET 85 7.016 18.094 -13.721 587 1HE MET 85 1HE MET 85 8.064 21.513 -11.545 588 2HE MET 85 2HE MET 85 7.228 21.619 -13.094 589 3HE MET 85 3HE MET 85 6.359 21.956 -11.597 590 H VAL 86 H VAL 86 11.825 16.721 -14.972 591 HA VAL 86 HA VAL 86 13.153 19.247 -15.214 592 HB VAL 86 HB VAL 86 14.302 17.024 -14.808 593 1HG1 VAL 86 1HG1 VAL 86 13.585 15.452 -16.271 594 2HG1 VAL 86 2HG1 VAL 86 13.391 16.601 -17.593 595 3HG1 VAL 86 3HG1 VAL 86 14.999 16.018 -17.161 596 1HG2 VAL 86 1HG2 VAL 86 16.042 17.717 -16.817 597 2HG2 VAL 86 2HG2 VAL 86 15.142 19.209 -16.541 598 3HG2 VAL 86 3HG2 VAL 86 15.986 18.427 -15.203 599 H VAL 87 H VAL 87 13.639 20.406 -17.058 600 HA VAL 87 HA VAL 87 11.715 20.067 -19.207 601 HB VAL 87 HB VAL 87 12.660 22.280 -20.009 602 1HG1 VAL 87 1HG1 VAL 87 11.551 23.559 -18.150 603 2HG1 VAL 87 2HG1 VAL 87 10.586 22.262 -18.855 604 3HG1 VAL 87 3HG1 VAL 87 11.379 22.026 -17.298 605 1HG2 VAL 87 1HG2 VAL 87 13.845 23.580 -18.188 606 2HG2 VAL 87 2HG2 VAL 87 14.147 22.025 -17.409 607 3HG2 VAL 87 3HG2 VAL 87 14.801 22.347 -19.016 608 H GLY 88 H GLY 88 12.365 20.286 -21.463 609 1HA GLY 88 1HA GLY 88 13.919 20.025 -23.232 610 2HA GLY 88 2HA GLY 88 15.133 19.521 -22.063 611 H GLU 89 H GLU 89 14.391 17.467 -20.818 612 HA GLU 89 HA GLU 89 13.269 15.556 -22.759 613 1HB GLU 89 2HB GLU 89 15.729 15.461 -21.203 614 2HB GLU 89 1HB GLU 89 14.710 14.058 -20.908 615 1HG GLU 89 2HG GLU 89 16.309 13.654 -22.697 616 2HG GLU 89 1HG GLU 89 14.649 13.573 -23.283 617 HA PRO 90 HA PRO 90 10.197 15.578 -19.532 618 1HB PRO 90 2HB PRO 90 8.365 14.050 -20.833 619 2HB PRO 90 1HB PRO 90 8.633 15.760 -21.189 620 1HG PRO 90 2HG PRO 90 9.666 13.342 -22.623 621 2HG PRO 90 1HG PRO 90 9.000 14.843 -23.295 622 1HD PRO 90 2HD PRO 90 11.657 14.374 -23.161 623 2HD PRO 90 1HD PRO 90 10.970 16.001 -22.995 624 H THR 91 H THR 91 9.931 14.356 -17.806 625 HA THR 91 HA THR 91 10.042 12.629 -16.345 626 HB THR 91 HB THR 91 9.363 10.600 -18.397 627 HG1 THR 91 1HG THR 91 7.785 12.908 -17.826 628 1HG2 THR 91 1HG2 THR 91 8.949 11.107 -15.589 629 2HG2 THR 91 2HG2 THR 91 8.713 9.617 -16.500 630 3HG2 THR 91 3HG2 THR 91 7.412 10.805 -16.397 631 H LEU 92 H LEU 92 12.455 13.074 -16.604 632 HA LEU 92 HA LEU 92 13.809 10.611 -17.494 633 1HB LEU 92 2HB LEU 92 14.505 13.426 -17.712 634 2HB LEU 92 1HB LEU 92 15.775 12.501 -16.934 635 HG LEU 92 HG LEU 92 14.692 12.217 -19.721 636 1HD1 LEU 92 1HD1 LEU 92 16.501 13.552 -19.938 637 2HD1 LEU 92 2HD1 LEU 92 17.228 12.997 -18.430 638 3HD1 LEU 92 3HD1 LEU 92 17.362 12.015 -19.888 639 1HD2 LEU 92 1HD2 LEU 92 15.870 10.120 -17.992 640 2HD2 LEU 92 2HD2 LEU 92 14.734 9.979 -19.334 641 3HD2 LEU 92 3HD2 LEU 92 16.453 10.219 -19.653 642 H MET 93 H MET 93 15.316 9.635 -16.087 643 HA MET 93 HA MET 93 14.960 10.383 -13.264 644 1HB MET 93 2HB MET 93 14.213 8.074 -14.136 645 2HB MET 93 1HB MET 93 15.929 7.702 -14.236 646 1HG MET 93 2HG MET 93 15.950 8.504 -11.752 647 2HG MET 93 1HG MET 93 14.224 8.158 -11.839 648 1HE MET 93 1HE MET 93 17.362 6.721 -10.569 649 2HE MET 93 2HE MET 93 17.652 5.228 -11.462 650 3HE MET 93 3HE MET 93 17.814 6.787 -12.272 651 H GLY 94 H GLY 94 16.703 11.977 -14.312 652 1HA GLY 94 1HA GLY 94 19.332 11.022 -14.658 653 2HA GLY 94 2HA GLY 94 18.885 12.689 -14.326 654 H GLY 95 H GLY 95 17.575 12.123 -11.836 655 1HA GLY 95 1HA GLY 95 19.946 11.804 -10.153 656 2HA GLY 95 2HA GLY 95 18.387 12.438 -9.641 657 H GLU 96 H GLU 96 20.387 9.943 -9.207 658 HA GLU 96 HA GLU 96 18.583 7.729 -9.383 659 1HB GLU 96 2HB GLU 96 21.363 8.127 -8.831 660 2HB GLU 96 1HB GLU 96 20.666 7.148 -7.548 661 1HG GLU 96 2HG GLU 96 20.832 5.385 -8.860 662 2HG GLU 96 1HG GLU 96 19.647 6.117 -9.941 663 H PHE 97 H PHE 97 17.820 6.470 -7.571 664 HA PHE 97 HA PHE 97 16.573 6.230 -5.695 665 1HB PHE 97 2HB PHE 97 18.182 8.343 -4.291 666 2HB PHE 97 1HB PHE 97 17.468 6.878 -3.633 667 HD1 PHE 97 1HD PHE 97 18.488 4.842 -5.519 668 HD2 PHE 97 2HD PHE 97 20.413 8.200 -3.751 669 HE1 PHE 97 1HE PHE 97 20.659 3.708 -5.735 670 HE2 PHE 97 2HE PHE 97 22.588 7.072 -3.966 671 HZ PHE 97 HZ PHE 97 22.713 4.825 -4.964 672 H GLY 98 H GLY 98 15.987 8.333 -7.676 673 1HA GLY 98 1HA GLY 98 14.107 9.872 -6.017 674 2HA GLY 98 2HA GLY 98 15.060 10.675 -7.260 675 H ASP 99 H ASP 99 12.328 8.767 -6.557 676 HA ASP 99 HA ASP 99 10.578 7.986 -7.741 677 1HB ASP 99 2HB ASP 99 10.755 10.416 -8.668 678 2HB ASP 99 1HB ASP 99 11.348 9.630 -10.128 679 H GLU 100 H GLU 100 12.653 6.328 -7.694 680 HA GLU 100 HA GLU 100 13.300 5.332 -10.333 681 1HB GLU 100 2HB GLU 100 13.534 4.036 -7.602 682 2HB GLU 100 1HB GLU 100 14.168 3.358 -9.094 683 1HG GLU 100 2HG GLU 100 15.423 5.651 -9.232 684 2HG GLU 100 1HG GLU 100 15.139 5.662 -7.491 685 H ASP 101 H ASP 101 10.825 5.123 -8.035 686 HA ASP 101 HA ASP 101 8.919 3.933 -9.682 687 1HB ASP 101 2HB ASP 101 10.363 1.891 -9.137 688 2HB ASP 101 1HB ASP 101 9.825 2.076 -7.472 689 H GLU 102 H GLU 102 8.841 6.178 -8.359 690 HA GLU 102 HA GLU 102 7.796 5.753 -5.670 691 1HB GLU 102 2HB GLU 102 9.190 7.890 -7.098 692 2HB GLU 102 1HB GLU 102 7.859 8.478 -6.114 693 1HG GLU 102 2HG GLU 102 8.816 7.387 -4.156 694 2HG GLU 102 1HG GLU 102 10.147 6.783 -5.142 695 H ARG 103 H ARG 103 6.363 8.196 -5.494 696 HA ARG 103 HA ARG 103 4.252 9.006 -5.645 697 1HB ARG 103 2HB ARG 103 5.313 8.755 -8.318 698 2HB ARG 103 1HB ARG 103 3.560 8.606 -8.327 699 1HG ARG 103 2HG ARG 103 3.613 10.730 -6.855 700 2HG ARG 103 1HG ARG 103 5.254 10.911 -7.476 701 1HD ARG 103 2HD ARG 103 4.303 11.970 -9.195 702 2HD ARG 103 1HD ARG 103 3.822 10.364 -9.743 703 HE ARG 103 HE ARG 103 1.654 10.739 -8.878 704 1HH1 ARG 103 2HH1 ARG 103 3.765 13.519 -8.520 705 2HH1 ARG 103 1HH1 ARG 103 2.457 14.649 -8.346 706 1HH2 ARG 103 2HH2 ARG 103 -0.074 12.225 -8.639 707 2HH2 ARG 103 1HH2 ARG 103 0.271 13.919 -8.419 708 H LEU 104 H LEU 104 4.491 6.160 -5.037 709 HA LEU 104 HA LEU 104 2.233 4.913 -6.345 710 1HB LEU 104 2HB LEU 104 4.079 3.990 -4.150 711 2HB LEU 104 1HB LEU 104 2.737 3.033 -4.744 712 HG LEU 104 HG LEU 104 4.762 4.006 -6.702 713 1HD1 LEU 104 1HD1 LEU 104 5.554 1.445 -5.876 714 2HD1 LEU 104 2HD1 LEU 104 6.447 2.958 -5.715 715 3HD1 LEU 104 3HD1 LEU 104 5.396 2.413 -4.409 716 1HD2 LEU 104 1HD2 LEU 104 4.117 2.098 -7.918 717 2HD2 LEU 104 2HD2 LEU 104 3.363 1.356 -6.507 718 3HD2 LEU 104 3HD2 LEU 104 2.623 2.765 -7.266 719 H ILE 105 H ILE 105 2.853 6.694 -3.456 720 HA ILE 105 HA ILE 105 0.451 5.696 -2.166 721 HB ILE 105 HB ILE 105 2.399 7.755 -1.126 722 1HG1 ILE 105 2HG1 ILE 105 2.200 4.790 -0.544 723 1HG2 ILE 105 1HG2 ILE 105 0.110 7.824 -0.168 724 2HG2 ILE 105 2HG2 ILE 105 0.310 6.145 0.336 725 3HG2 ILE 105 3HG2 ILE 105 1.354 7.398 1.010 726 1HD1 ILE 105 1HD1 ILE 105 4.084 5.017 0.886 727 2HD1 ILE 105 2HD1 ILE 105 4.239 6.731 0.506 728 3HD1 ILE 105 3HD1 ILE 105 2.853 6.156 1.433 729 H THR 106 H THR 106 -1.402 6.570 -2.430 730 HA THR 106 HA THR 106 -1.652 9.381 -3.264 731 HB THR 106 HB THR 106 -4.052 7.660 -3.256 732 HG1 THR 106 1HG THR 106 -1.767 7.069 -4.837 733 1HG2 THR 106 1HG2 THR 106 -4.575 9.522 -4.407 734 2HG2 THR 106 2HG2 THR 106 -3.831 8.663 -5.754 735 3HG2 THR 106 3HG2 THR 106 -2.897 9.852 -4.845 736 H ARG 107 H ARG 107 -2.465 10.807 -1.796 737 HA ARG 107 HA ARG 107 -3.726 9.692 0.627 738 1HB ARG 107 2HB ARG 107 -1.876 10.890 1.400 739 2HB ARG 107 1HB ARG 107 -2.039 12.131 0.167 740 1HG ARG 107 2HG ARG 107 -2.759 13.306 1.965 741 2HG ARG 107 1HG ARG 107 -4.297 12.609 1.456 742 1HD ARG 107 2HD ARG 107 -4.472 11.885 3.562 743 2HD ARG 107 1HD ARG 107 -3.282 10.667 3.103 744 HE ARG 107 HE ARG 107 -1.632 11.848 4.247 745 1HH1 ARG 107 2HH1 ARG 107 -4.729 13.499 4.402 746 2HH1 ARG 107 1HH1 ARG 107 -4.184 14.675 5.571 747 1HH2 ARG 107 2HH2 ARG 107 -0.922 13.378 5.779 748 2HH2 ARG 107 1HH2 ARG 107 -2.029 14.583 6.382 749 H LEU 108 H LEU 108 -5.840 9.650 0.226 750 HA LEU 108 HA LEU 108 -7.173 12.168 -0.358 751 1HB LEU 108 2HB LEU 108 -6.720 10.744 -2.493 752 2HB LEU 108 1HB LEU 108 -8.022 9.739 -1.886 753 HG LEU 108 HG LEU 108 -8.749 12.555 -1.908 754 1HD1 LEU 108 1HD1 LEU 108 -7.371 11.480 -4.232 755 2HD1 LEU 108 2HD1 LEU 108 -8.994 12.064 -4.596 756 3HD1 LEU 108 3HD1 LEU 108 -7.817 13.140 -3.844 757 1HD2 LEU 108 1HD2 LEU 108 -10.739 11.712 -2.925 758 2HD2 LEU 108 2HD2 LEU 108 -9.945 10.193 -3.343 759 3HD2 LEU 108 3HD2 LEU 108 -10.261 10.586 -1.652 760 H GLU 109 H GLU 109 -8.274 12.340 1.455 761 HA GLU 109 HA GLU 109 -9.423 10.161 2.876 762 1HB GLU 109 2HB GLU 109 -10.031 13.119 3.082 763 2HB GLU 109 1HB GLU 109 -10.444 11.894 4.273 764 1HG GLU 109 2HG GLU 109 -8.559 12.897 5.164 765 2HG GLU 109 1HG GLU 109 -7.919 11.448 4.395 766 H ASN 110 H ASN 110 -11.832 10.164 3.393 767 HA ASN 110 HA ASN 110 -13.325 9.421 1.244 768 1HB ASN 110 2HB ASN 110 -13.863 9.324 3.809 769 2HB ASN 110 1HB ASN 110 -14.719 10.829 3.492 770 1HD2 ASN 110 1HD2 ASN 110 -16.513 9.413 4.249 771 2HD2 ASN 110 2HD2 ASN 110 -17.365 8.493 3.060 772 H THR 111 H THR 111 -13.503 10.559 -0.545 773 HA THR 111 HA THR 111 -14.293 12.099 -2.022 774 HB THR 111 HB THR 111 -15.315 13.686 0.336 775 HG1 THR 111 1HG THR 111 -16.825 12.220 0.437 776 1HG2 THR 111 1HG2 THR 111 -14.996 14.705 -2.062 777 2HG2 THR 111 2HG2 THR 111 -16.477 15.008 -1.152 778 3HG2 THR 111 3HG2 THR 111 -16.458 13.784 -2.421 779 H GLN 112 H GLN 112 -12.983 13.605 0.907 780 HA GLN 112 HA GLN 112 -11.289 15.031 1.303 781 1HB GLN 112 2HB GLN 112 -9.861 13.518 0.078 782 2HB GLN 112 1HB GLN 112 -10.383 14.203 -1.457 783 1HG GLN 112 2HG GLN 112 -9.305 16.302 -0.924 784 2HG GLN 112 1HG GLN 112 -8.860 15.695 0.670 785 1HE2 GLN 112 1HE2 GLN 112 -7.212 14.213 0.867 786 2HE2 GLN 112 2HE2 GLN 112 -6.096 13.887 -0.424 787 H PHE 113 H PHE 113 -11.688 15.638 -2.181 788 HA PHE 113 HA PHE 113 -11.584 18.423 -1.993 789 1HB PHE 113 2HB PHE 113 -11.712 16.586 -4.043 790 2HB PHE 113 1HB PHE 113 -13.253 17.425 -4.186 791 HD1 PHE 113 1HD PHE 113 -10.081 17.374 -5.424 792 HD2 PHE 113 2HD PHE 113 -12.882 20.123 -3.781 793 HE1 PHE 113 1HE PHE 113 -8.958 19.217 -6.605 794 HE2 PHE 113 2HE PHE 113 -11.764 21.972 -4.960 795 HZ PHE 113 HZ PHE 113 -9.798 21.520 -6.372 796 H ASP 114 H ASP 114 -12.897 19.610 -0.819 797 HA ASP 114 HA ASP 114 -14.748 20.617 0.005 798 1HB ASP 114 2HB ASP 114 -15.295 20.166 -2.683 799 2HB ASP 114 1HB ASP 114 -16.727 19.569 -1.851 800 H ALA 115 H ALA 115 -14.077 18.093 1.074 801 HA ALA 115 HA ALA 115 -16.692 16.874 1.605 802 1HB ALA 115 1HB ALA 115 -15.027 15.274 0.970 803 2HB ALA 115 2HB ALA 115 -13.897 15.903 2.171 804 3HB ALA 115 3HB ALA 115 -15.359 15.066 2.690 805 H ALA 116 H ALA 116 -17.660 17.017 3.544 806 HA ALA 116 HA ALA 116 -16.660 18.977 5.393 807 1HB ALA 116 1HB ALA 116 -18.758 18.876 6.429 808 2HB ALA 116 2HB ALA 116 -19.085 18.616 4.715 809 3HB ALA 116 3HB ALA 116 -19.072 17.247 5.828 810 H ASN 117 H ASN 117 -16.954 15.479 5.332 811 HA ASN 117 HA ASN 117 -15.868 15.359 8.058 812 1HB ASN 117 2HB ASN 117 -17.945 14.053 7.562 813 2HB ASN 117 1HB ASN 117 -17.018 13.098 6.409 814 1HD2 ASN 117 1HD2 ASN 117 -16.246 14.304 9.659 815 2HD2 ASN 117 2HD2 ASN 117 -15.898 12.745 10.327 816 H GLY 118 H GLY 118 -15.331 14.222 4.757 817 1HA GLY 118 1HA GLY 118 -12.754 13.068 5.451 818 2HA GLY 118 2HA GLY 118 -13.458 13.156 3.841 819 H ILE 119 H ILE 119 -12.495 15.493 6.342 820 HA ILE 119 HA ILE 119 -11.635 17.352 4.326 821 HB ILE 119 HB ILE 119 -12.612 18.447 6.129 822 1HG1 ILE 119 2HG1 ILE 119 -9.675 18.573 6.839 823 1HG2 ILE 119 1HG2 ILE 119 -12.898 17.005 7.861 824 2HG2 ILE 119 2HG2 ILE 119 -11.246 16.396 7.776 825 3HG2 ILE 119 3HG2 ILE 119 -11.573 17.960 8.523 826 1HD1 ILE 119 1HD1 ILE 119 -11.214 19.825 8.338 827 2HD1 ILE 119 2HD1 ILE 119 -10.045 20.828 7.480 828 3HD1 ILE 119 3HD1 ILE 119 -11.721 20.766 6.937 829 H ASP 120 H ASP 120 -10.006 15.634 6.991 830 HA ASP 120 HA ASP 120 -7.638 15.169 5.480 831 1HB ASP 120 2HB ASP 120 -7.667 17.710 6.336 832 2HB ASP 120 1HB ASP 120 -7.070 16.948 7.806 833 H ASP 121 H ASP 121 -5.830 14.498 7.164 834 HA ASP 121 HA ASP 121 -7.061 13.186 9.486 835 1HB ASP 121 2HB ASP 121 -6.902 11.463 7.741 836 2HB ASP 121 1HB ASP 121 -5.184 11.806 7.552 837 H GLU 122 H GLU 122 -4.098 14.120 7.815 838 HA GLU 122 HA GLU 122 -2.923 14.804 10.406 839 1HB GLU 122 2HB GLU 122 -2.066 12.570 9.513 840 2HB GLU 122 1HB GLU 122 -1.327 13.485 8.208 841 1HG GLU 122 2HG GLU 122 0.300 13.021 9.921 842 2HG GLU 122 1HG GLU 122 -0.021 14.753 9.849 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -11.164 -8.412 -14.681 2 2H GLY 1 2H GLY 1 -12.104 -8.567 -16.083 3 3H GLY 1 3H GLY 1 -12.142 -9.779 -14.897 4 1HA GLY 1 2HA GLY 1 -13.264 -7.047 -14.758 5 2HA GLY 1 1HA GLY 1 -14.114 -8.579 -14.595 6 H SER 2 H SER 2 -14.562 -6.781 -12.663 7 HA SER 2 HA SER 2 -12.726 -6.965 -10.484 8 1HB SER 2 2HB SER 2 -15.314 -6.309 -9.521 9 2HB SER 2 1HB SER 2 -13.966 -5.213 -9.828 10 HG SER 2 HG SER 2 -16.162 -5.867 -11.461 11 H LEU 3 H LEU 3 -12.934 -8.152 -8.572 12 HA LEU 3 HA LEU 3 -14.873 -10.367 -8.639 13 1HB LEU 3 2HB LEU 3 -12.283 -10.760 -9.254 14 2HB LEU 3 1HB LEU 3 -12.198 -10.930 -7.510 15 HG LEU 3 HG LEU 3 -14.381 -12.499 -8.242 16 1HD1 LEU 3 1HD1 LEU 3 -12.683 -13.937 -9.882 17 2HD1 LEU 3 2HD1 LEU 3 -14.116 -13.041 -10.383 18 3HD1 LEU 3 3HD1 LEU 3 -12.530 -12.276 -10.459 19 1HD2 LEU 3 1HD2 LEU 3 -12.181 -12.740 -6.700 20 2HD2 LEU 3 2HD2 LEU 3 -13.261 -14.077 -7.089 21 3HD2 LEU 3 3HD2 LEU 3 -11.774 -13.847 -8.010 22 H SER 4 H SER 4 -12.377 -8.881 -6.571 23 HA SER 4 HA SER 4 -14.313 -8.972 -4.355 24 1HB SER 4 2HB SER 4 -11.490 -9.032 -3.555 25 2HB SER 4 1HB SER 4 -12.845 -10.007 -2.983 26 HG SER 4 HG SER 4 -11.249 -10.406 -5.300 27 H TRP 5 H TRP 5 -13.576 -7.420 -2.543 28 HA TRP 5 HA TRP 5 -13.401 -4.812 -3.708 29 1HB TRP 5 2HB TRP 5 -14.343 -5.857 -1.301 30 2HB TRP 5 1HB TRP 5 -12.953 -4.879 -0.837 31 HD1 TRP 5 HD TRP 5 -15.146 -3.858 -3.797 32 HE1 TRP 5 1HE TRP 5 -16.369 -1.669 -3.210 33 HE3 TRP 5 3HE TRP 5 -13.840 -3.496 1.132 34 HZ2 TRP 5 2HZ TRP 5 -16.737 -0.017 -0.949 35 HZ3 TRP 5 3HZ TRP 5 -14.668 -1.583 2.438 36 HH2 TRP 5 HH TRP 5 -16.087 0.122 1.418 37 H LYS 6 H LYS 6 -11.821 -3.193 -2.996 38 HA LYS 6 HA LYS 6 -9.222 -3.989 -3.609 39 1HB LYS 6 2HB LYS 6 -10.500 -1.498 -2.670 40 2HB LYS 6 1HB LYS 6 -8.766 -1.623 -2.413 41 1HG LYS 6 2HG LYS 6 -8.984 -0.539 -4.465 42 2HG LYS 6 1HG LYS 6 -8.608 -2.210 -4.887 43 1HD LYS 6 2HD LYS 6 -10.364 -1.510 -6.329 44 2HD LYS 6 1HD LYS 6 -11.082 -2.596 -5.138 45 1HE LYS 6 2HE LYS 6 -12.256 -0.923 -4.117 46 2HE LYS 6 1HE LYS 6 -11.071 0.315 -4.531 47 1HZ LYS 6 1HZ LYS 6 -13.031 0.709 -5.798 48 2HZ LYS 6 2HZ LYS 6 -13.098 -0.900 -6.329 49 3HZ LYS 6 3HZ LYS 6 -11.854 0.120 -6.869 50 H ARG 7 H ARG 7 -10.565 -2.949 -0.593 51 HA ARG 7 HA ARG 7 -10.114 -3.370 1.590 52 1HB ARG 7 2HB ARG 7 -10.197 -5.758 0.540 53 2HB ARG 7 1HB ARG 7 -8.462 -5.744 0.813 54 1HG ARG 7 2HG ARG 7 -9.304 -4.951 3.233 55 2HG ARG 7 1HG ARG 7 -10.682 -5.933 2.733 56 1HD ARG 7 2HD ARG 7 -8.953 -7.192 3.995 57 2HD ARG 7 1HD ARG 7 -9.282 -7.840 2.390 58 HE ARG 7 HE ARG 7 -6.932 -6.146 2.984 59 1HH1 ARG 7 2HH1 ARG 7 -8.452 -8.875 1.395 60 2HH1 ARG 7 1HH1 ARG 7 -6.972 -9.448 0.679 61 1HH2 ARG 7 2HH2 ARG 7 -4.987 -6.892 2.043 62 2HH2 ARG 7 1HH2 ARG 7 -4.999 -8.316 1.045 63 H CYS 8 H CYS 8 -8.332 -3.605 3.225 64 HA CYS 8 HA CYS 8 -6.117 -1.945 2.455 65 1HB CYS 8 2HB CYS 8 -7.132 -1.624 4.647 66 2HB CYS 8 1HB CYS 8 -6.775 -3.293 5.081 67 H ALA 9 H ALA 9 -4.124 -2.569 1.998 68 HA ALA 9 HA ALA 9 -3.521 -5.438 2.050 69 1HB ALA 9 1HB ALA 9 -2.121 -5.111 0.291 70 2HB ALA 9 2HB ALA 9 -3.171 -3.718 0.039 71 3HB ALA 9 3HB ALA 9 -1.616 -3.515 0.845 72 H GLY 10 H GLY 10 -3.381 -3.082 4.177 73 1HA GLY 10 1HA GLY 10 -0.618 -3.515 5.065 74 2HA GLY 10 2HA GLY 10 -1.723 -2.296 5.677 75 H CYS 11 H CYS 11 -3.952 -4.034 6.132 76 HA CYS 11 HA CYS 11 -2.850 -5.782 8.223 77 1HB CYS 11 2HB CYS 11 -4.866 -5.285 9.601 78 2HB CYS 11 1HB CYS 11 -3.821 -3.895 9.359 79 H GLY 12 H GLY 12 -6.216 -5.406 7.618 80 1HA GLY 12 1HA GLY 12 -6.723 -7.315 5.670 81 2HA GLY 12 2HA GLY 12 -6.634 -8.179 7.202 82 H GLY 13 H GLY 13 -8.070 -5.218 5.868 83 1HA GLY 13 1HA GLY 13 -10.654 -5.942 6.953 84 2HA GLY 13 2HA GLY 13 -9.877 -4.535 7.676 85 H LYS 14 H LYS 14 -12.018 -5.474 5.448 86 HA LYS 14 HA LYS 14 -11.476 -3.896 3.196 87 1HB LYS 14 2HB LYS 14 -13.916 -5.180 4.347 88 2HB LYS 14 1HB LYS 14 -14.135 -3.984 3.077 89 1HG LYS 14 2HG LYS 14 -13.535 -5.430 1.502 90 2HG LYS 14 1HG LYS 14 -12.077 -5.892 2.382 91 1HD LYS 14 2HD LYS 14 -13.015 -7.848 2.857 92 2HD LYS 14 1HD LYS 14 -14.266 -7.006 3.772 93 1HE LYS 14 2HE LYS 14 -15.388 -6.644 1.479 94 2HE LYS 14 1HE LYS 14 -14.308 -7.921 0.918 95 1HZ LYS 14 1HZ LYS 14 -16.067 -9.180 1.557 96 2HZ LYS 14 2HZ LYS 14 -16.591 -8.078 2.733 97 3HZ LYS 14 3HZ LYS 14 -15.276 -9.102 3.058 98 H ILE 15 H ILE 15 -10.859 -1.832 3.698 99 HA ILE 15 HA ILE 15 -12.113 -0.204 5.606 100 HB ILE 15 HB ILE 15 -10.883 1.315 3.446 101 1HG1 ILE 15 2HG1 ILE 15 -9.234 -0.839 4.802 102 1HG2 ILE 15 1HG2 ILE 15 -11.212 1.454 6.209 103 2HG2 ILE 15 2HG2 ILE 15 -9.475 1.294 5.958 104 3HG2 ILE 15 3HG2 ILE 15 -10.362 2.604 5.177 105 1HD1 ILE 15 1HD1 ILE 15 -8.439 1.690 3.712 106 2HD1 ILE 15 2HD1 ILE 15 -7.461 0.443 4.490 107 3HD1 ILE 15 3HD1 ILE 15 -7.771 0.369 2.755 108 H ALA 16 H ALA 16 -14.189 0.268 5.479 109 HA ALA 16 HA ALA 16 -15.417 0.917 2.909 110 1HB ALA 16 1HB ALA 16 -16.735 -0.562 4.182 111 2HB ALA 16 2HB ALA 16 -16.518 0.383 5.654 112 3HB ALA 16 3HB ALA 16 -17.519 1.010 4.344 113 H ASP 17 H ASP 17 -13.853 2.468 5.378 114 HA ASP 17 HA ASP 17 -15.371 4.811 5.743 115 1HB ASP 17 2HB ASP 17 -12.672 3.894 6.414 116 2HB ASP 17 1HB ASP 17 -12.766 5.626 6.116 117 H ARG 18 H ARG 18 -14.997 6.921 4.966 118 HA ARG 18 HA ARG 18 -14.381 6.998 2.141 119 1HB ARG 18 2HB ARG 18 -15.223 9.300 2.240 120 2HB ARG 18 1HB ARG 18 -16.355 8.182 2.987 121 1HG ARG 18 2HG ARG 18 -14.517 9.246 4.935 122 2HG ARG 18 1HG ARG 18 -15.342 10.539 4.065 123 1HD ARG 18 2HD ARG 18 -17.049 10.219 5.465 124 2HD ARG 18 1HD ARG 18 -17.353 8.714 4.597 125 HE ARG 18 HE ARG 18 -16.295 7.519 6.314 126 1HH1 ARG 18 2HH1 ARG 18 -16.608 10.937 7.046 127 2HH1 ARG 18 1HH1 ARG 18 -16.029 10.766 8.678 128 1HH2 ARG 18 2HH2 ARG 18 -15.529 7.295 8.436 129 2HH2 ARG 18 1HH2 ARG 18 -15.470 8.688 9.483 130 H PHE 19 H PHE 19 -12.470 6.964 4.683 131 HA PHE 19 HA PHE 19 -10.547 8.888 3.558 132 1HB PHE 19 2HB PHE 19 -10.805 8.080 6.467 133 2HB PHE 19 1HB PHE 19 -9.633 9.211 5.810 134 HD1 PHE 19 1HD PHE 19 -11.567 10.685 3.959 135 HD2 PHE 19 2HD PHE 19 -11.833 9.491 8.034 136 HE1 PHE 19 1HE PHE 19 -13.111 12.545 4.399 137 HE2 PHE 19 2HE PHE 19 -13.381 11.348 8.481 138 HZ PHE 19 HZ PHE 19 -14.024 12.877 6.662 139 H LEU 20 H LEU 20 -9.571 7.271 2.259 140 HA LEU 20 HA LEU 20 -8.068 5.267 3.793 141 1HB LEU 20 2HB LEU 20 -8.504 4.191 1.216 142 2HB LEU 20 1HB LEU 20 -9.057 3.568 2.756 143 HG LEU 20 HG LEU 20 -11.078 5.141 2.457 144 1HD1 LEU 20 1HD1 LEU 20 -11.191 6.404 0.644 145 2HD1 LEU 20 2HD1 LEU 20 -9.609 5.812 0.134 146 3HD1 LEU 20 3HD1 LEU 20 -11.073 4.974 -0.381 147 1HD2 LEU 20 1HD2 LEU 20 -12.074 3.457 0.751 148 2HD2 LEU 20 2HD2 LEU 20 -10.524 2.636 0.911 149 3HD2 LEU 20 3HD2 LEU 20 -11.546 2.873 2.329 150 H LEU 21 H LEU 21 -6.211 4.395 2.593 151 HA LEU 21 HA LEU 21 -4.944 6.472 0.937 152 1HB LEU 21 2HB LEU 21 -3.982 5.241 3.174 153 2HB LEU 21 1HB LEU 21 -3.320 4.218 1.912 154 HG LEU 21 HG LEU 21 -2.994 7.174 1.679 155 1HD1 LEU 21 1HD1 LEU 21 -0.747 6.701 2.900 156 2HD1 LEU 21 2HD1 LEU 21 -2.203 7.063 3.828 157 3HD1 LEU 21 3HD1 LEU 21 -1.657 5.394 3.657 158 1HD2 LEU 21 1HD2 LEU 21 -1.990 6.335 -0.146 159 2HD2 LEU 21 2HD2 LEU 21 -0.666 5.987 0.964 160 3HD2 LEU 21 3HD2 LEU 21 -1.828 4.727 0.555 161 H TYR 22 H TYR 22 -4.011 5.883 -1.027 162 HA TYR 22 HA TYR 22 -4.962 3.300 -2.098 163 1HB TYR 22 2HB TYR 22 -4.517 5.914 -3.548 164 2HB TYR 22 1HB TYR 22 -5.019 4.418 -4.309 165 HD1 TYR 22 1HD TYR 22 -6.147 6.509 -1.408 166 HD2 TYR 22 2HD TYR 22 -7.208 4.376 -4.929 167 HE1 TYR 22 1HE TYR 22 -8.484 7.205 -1.111 168 HE2 TYR 22 2HE TYR 22 -9.551 5.063 -4.640 169 HH TYR 22 HH TYR 22 -10.542 7.193 -1.966 170 H ALA 23 H ALA 23 -3.390 1.918 -2.651 171 HA ALA 23 HA ALA 23 -1.034 2.921 -3.961 172 1HB ALA 23 1HB ALA 23 -0.885 1.704 -1.237 173 2HB ALA 23 2HB ALA 23 0.446 1.503 -2.376 174 3HB ALA 23 3HB ALA 23 -0.051 3.118 -1.877 175 H MET 24 H MET 24 -0.501 1.626 -5.568 176 HA MET 24 HA MET 24 -0.367 -0.162 -6.954 177 1HB MET 24 2HB MET 24 -0.111 -1.361 -4.286 178 2HB MET 24 1HB MET 24 -0.702 -2.473 -5.513 179 1HG MET 24 2HG MET 24 1.285 -1.610 -6.916 180 2HG MET 24 1HG MET 24 1.913 -1.036 -5.371 181 1HE MET 24 1HE MET 24 2.338 -2.557 -3.314 182 2HE MET 24 2HE MET 24 0.804 -3.424 -3.383 183 3HE MET 24 3HE MET 24 2.324 -4.322 -3.327 184 H ASP 25 H ASP 25 -2.850 1.093 -6.540 185 HA ASP 25 HA ASP 25 -5.035 0.913 -7.077 186 1HB ASP 25 2HB ASP 25 -3.822 -1.358 -8.463 187 2HB ASP 25 1HB ASP 25 -5.527 -1.602 -8.091 188 H SER 26 H SER 26 -3.760 -0.434 -4.579 189 HA SER 26 HA SER 26 -6.271 -1.670 -3.685 190 1HB SER 26 2HB SER 26 -3.803 -2.233 -2.137 191 2HB SER 26 1HB SER 26 -5.154 -3.298 -2.531 192 HG SER 26 HG SER 26 -3.667 -2.523 -4.711 193 H TYR 27 H TYR 27 -6.432 -1.421 -1.172 194 HA TYR 27 HA TYR 27 -5.845 1.409 -0.658 195 1HB TYR 27 2HB TYR 27 -8.057 -0.342 0.420 196 2HB TYR 27 1HB TYR 27 -7.753 1.309 0.946 197 HD1 TYR 27 1HD TYR 27 -10.368 0.553 -0.091 198 HD2 TYR 27 2HD TYR 27 -6.887 1.846 -2.192 199 HE1 TYR 27 1HE TYR 27 -11.784 1.375 -1.924 200 HE2 TYR 27 2HE TYR 27 -8.305 2.668 -4.020 201 HH TYR 27 HH TYR 27 -11.750 2.867 -3.755 202 H TRP 28 H TRP 28 -5.372 2.038 1.500 203 HA TRP 28 HA TRP 28 -4.209 -0.049 3.202 204 1HB TRP 28 2HB TRP 28 -2.765 2.400 2.149 205 2HB TRP 28 1HB TRP 28 -2.179 1.425 3.487 206 HD1 TRP 28 HD TRP 28 -2.979 1.011 -0.282 207 HE1 TRP 28 1HE TRP 28 -1.353 -0.730 -1.249 208 HE3 TRP 28 3HE TRP 28 -0.601 -0.342 4.031 209 HZ2 TRP 28 2HZ TRP 28 0.679 -2.451 -0.301 210 HZ3 TRP 28 3HZ TRP 28 1.173 -2.041 3.915 211 HH2 TRP 28 HH TRP 28 1.796 -3.073 1.796 212 H HIS 29 H HIS 29 -3.594 0.815 5.322 213 HA HIS 29 HA HIS 29 -5.273 3.084 6.164 214 1HB HIS 29 2HB HIS 29 -4.036 0.793 7.683 215 2HB HIS 29 1HB HIS 29 -4.477 2.283 8.506 216 HD2 HIS 29 2HD HIS 29 -7.347 2.912 8.132 217 HE1 HIS 29 1HE HIS 29 -8.239 -1.225 7.945 218 HE2 HIS 29 2HE HIS 29 -9.151 1.079 8.514 219 H SER 30 H SER 30 -4.125 4.590 7.708 220 HA SER 30 HA SER 30 -1.736 5.518 6.540 221 1HB SER 30 2HB SER 30 -2.188 6.407 9.291 222 2HB SER 30 1HB SER 30 -2.118 7.345 7.797 223 HG SER 30 HG SER 30 -4.208 7.326 8.881 224 H ARG 31 H ARG 31 -2.372 3.691 9.497 225 HA ARG 31 HA ARG 31 0.435 3.533 10.164 226 1HB ARG 31 2HB ARG 31 -1.419 3.623 11.864 227 2HB ARG 31 1HB ARG 31 -1.858 1.992 11.382 228 1HG ARG 31 2HG ARG 31 -0.543 1.823 13.344 229 2HG ARG 31 1HG ARG 31 0.461 1.275 11.999 230 1HD ARG 31 2HD ARG 31 1.388 3.625 11.909 231 2HD ARG 31 1HD ARG 31 0.583 3.904 13.455 232 HE ARG 31 HE ARG 31 1.931 2.048 14.346 233 1HH1 ARG 31 2HH1 ARG 31 3.031 3.754 11.488 234 2HH1 ARG 31 1HH1 ARG 31 4.670 3.202 11.645 235 1HH2 ARG 31 2HH2 ARG 31 4.064 1.316 14.546 236 2HH2 ARG 31 1HH2 ARG 31 5.263 1.826 13.390 237 H CYS 32 H CYS 32 -1.678 1.832 8.139 238 HA CYS 32 HA CYS 32 -0.299 -0.703 8.360 239 1HB CYS 32 2HB CYS 32 -2.553 0.286 6.625 240 2HB CYS 32 1HB CYS 32 -1.826 -1.306 6.417 241 H LEU 33 H LEU 33 -0.449 2.045 6.168 242 HA LEU 33 HA LEU 33 1.559 0.874 4.410 243 1HB LEU 33 2HB LEU 33 -0.218 2.381 3.500 244 2HB LEU 33 1HB LEU 33 0.474 3.696 4.434 245 HG LEU 33 HG LEU 33 2.626 3.335 3.167 246 1HD1 LEU 33 1HD1 LEU 33 0.840 1.602 1.469 247 2HD1 LEU 33 2HD1 LEU 33 2.442 2.176 1.003 248 3HD1 LEU 33 3HD1 LEU 33 2.260 1.085 2.378 249 1HD2 LEU 33 1HD2 LEU 33 0.391 4.805 2.558 250 2HD2 LEU 33 2HD2 LEU 33 1.985 4.983 1.822 251 3HD2 LEU 33 3HD2 LEU 33 0.759 3.984 1.041 252 H LYS 34 H LYS 34 2.820 0.533 6.392 253 HA LYS 34 HA LYS 34 4.326 2.929 7.209 254 1HB LYS 34 2HB LYS 34 4.346 2.196 9.389 255 2HB LYS 34 1HB LYS 34 2.776 1.604 8.867 256 1HG LYS 34 2HG LYS 34 5.120 -0.200 8.580 257 2HG LYS 34 1HG LYS 34 4.466 0.081 10.194 258 1HD LYS 34 2HD LYS 34 2.431 -0.890 9.682 259 2HD LYS 34 1HD LYS 34 2.624 -0.622 7.949 260 1HE LYS 34 2HE LYS 34 3.831 -2.511 7.652 261 2HE LYS 34 1HE LYS 34 4.609 -2.394 9.230 262 1HZ LYS 34 1HZ LYS 34 2.967 -3.565 10.231 263 2HZ LYS 34 2HZ LYS 34 2.774 -4.206 8.671 264 3HZ LYS 34 3HZ LYS 34 1.745 -2.973 9.208 265 H CYS 35 H CYS 35 6.402 2.505 8.035 266 HA CYS 35 HA CYS 35 8.295 1.570 6.334 267 1HB CYS 35 2HB CYS 35 7.948 2.169 9.181 268 2HB CYS 35 1HB CYS 35 9.285 1.106 8.860 269 H SER 36 H SER 36 8.684 -0.429 5.562 270 HA SER 36 HA SER 36 7.267 -2.678 6.256 271 1HB SER 36 2HB SER 36 9.768 -3.460 5.093 272 2HB SER 36 1HB SER 36 8.174 -3.368 4.339 273 HG SER 36 HG SER 36 8.711 -1.547 3.438 274 H SER 37 H SER 37 10.608 -1.910 7.180 275 HA SER 37 HA SER 37 10.513 -4.186 9.041 276 1HB SER 37 2HB SER 37 12.964 -2.853 7.871 277 2HB SER 37 1HB SER 37 12.894 -4.374 8.760 278 HG SER 37 HG SER 37 13.001 -4.778 6.536 279 H CYS 38 H CYS 38 10.896 -0.810 8.782 280 HA CYS 38 HA CYS 38 12.254 -0.556 11.320 281 1HB CYS 38 2HB CYS 38 11.509 1.908 9.991 282 2HB CYS 38 1HB CYS 38 13.113 1.262 10.331 283 H GLN 39 H GLN 39 9.109 -0.449 10.094 284 HA GLN 39 HA GLN 39 7.065 0.052 10.887 285 1HB GLN 39 2HB GLN 39 8.277 -0.366 13.612 286 2HB GLN 39 1HB GLN 39 6.593 -0.583 13.138 287 1HG GLN 39 2HG GLN 39 8.911 -2.225 12.129 288 2HG GLN 39 1HG GLN 39 7.800 -2.705 13.411 289 1HE2 GLN 39 1HE2 GLN 39 8.382 -3.914 10.796 290 2HE2 GLN 39 2HE2 GLN 39 6.858 -4.019 9.974 291 H ALA 40 H ALA 40 8.899 2.410 10.682 292 HA ALA 40 HA ALA 40 7.764 4.194 12.669 293 1HB ALA 40 1HB ALA 40 9.853 4.392 10.584 294 2HB ALA 40 2HB ALA 40 8.911 5.852 10.882 295 3HB ALA 40 3HB ALA 40 9.795 5.089 12.204 296 H GLN 41 H GLN 41 7.296 6.376 10.924 297 HA GLN 41 HA GLN 41 4.847 5.456 9.582 298 1HB GLN 41 2HB GLN 41 5.111 7.441 11.424 299 2HB GLN 41 1HB GLN 41 5.280 8.357 9.936 300 1HG GLN 41 2HG GLN 41 2.926 7.675 11.187 301 2HG GLN 41 1HG GLN 41 3.101 8.286 9.546 302 1HE2 GLN 41 1HE2 GLN 41 2.301 7.097 7.975 303 2HE2 GLN 41 2HE2 GLN 41 1.858 5.421 8.092 304 H LEU 42 H LEU 42 4.973 5.271 7.449 305 HA LEU 42 HA LEU 42 7.197 5.943 5.936 306 1HB LEU 42 2HB LEU 42 4.366 5.279 5.195 307 2HB LEU 42 1HB LEU 42 5.528 5.714 3.962 308 HG LEU 42 HG LEU 42 5.534 3.300 5.739 309 1HD1 LEU 42 1HD1 LEU 42 4.284 3.235 3.615 310 2HD1 LEU 42 2HD1 LEU 42 5.766 3.639 2.751 311 3HD1 LEU 42 3HD1 LEU 42 5.646 2.119 3.635 312 1HD2 LEU 42 1HD2 LEU 42 7.744 3.077 5.636 313 2HD2 LEU 42 2HD2 LEU 42 7.774 3.473 3.918 314 3HD2 LEU 42 3HD2 LEU 42 7.809 4.761 5.120 315 H GLY 43 H GLY 43 3.995 7.512 5.743 316 1HA GLY 43 1HA GLY 43 5.140 9.705 4.243 317 2HA GLY 43 2HA GLY 43 3.445 9.483 4.641 318 H ASP 44 H ASP 44 6.208 9.588 6.858 319 HA ASP 44 HA ASP 44 4.954 11.945 8.107 320 1HB ASP 44 2HB ASP 44 5.293 9.755 9.433 321 2HB ASP 44 1HB ASP 44 6.996 10.204 9.460 322 H ILE 45 H ILE 45 7.819 10.726 6.617 323 HA ILE 45 HA ILE 45 9.175 13.290 7.145 324 HB ILE 45 HB ILE 45 11.207 11.846 6.225 325 1HG1 ILE 45 2HG1 ILE 45 10.753 9.555 7.609 326 1HG2 ILE 45 1HG2 ILE 45 10.092 12.135 8.971 327 2HG2 ILE 45 2HG2 ILE 45 11.506 11.109 8.736 328 3HG2 ILE 45 3HG2 ILE 45 11.564 12.810 8.271 329 1HD1 ILE 45 1HD1 ILE 45 10.707 8.390 5.610 330 2HD1 ILE 45 2HD1 ILE 45 9.845 9.677 4.765 331 3HD1 ILE 45 3HD1 ILE 45 11.543 9.884 5.195 332 H GLY 46 H GLY 46 7.184 12.270 5.068 333 1HA GLY 46 1HA GLY 46 7.201 13.609 2.914 334 2HA GLY 46 2HA GLY 46 8.757 12.824 2.641 335 H THR 47 H THR 47 5.659 12.690 1.702 336 HA THR 47 HA THR 47 5.112 9.914 2.058 337 HB THR 47 HB THR 47 3.412 10.736 0.062 338 HG1 THR 47 1HG THR 47 2.846 12.915 0.704 339 1HG2 THR 47 1HG2 THR 47 3.296 10.144 2.819 340 2HG2 THR 47 2HG2 THR 47 1.958 10.202 1.671 341 3HG2 THR 47 3HG2 THR 47 2.396 11.643 2.588 342 H SER 48 H SER 48 6.486 8.535 1.081 343 HA SER 48 HA SER 48 6.183 8.165 -1.727 344 1HB SER 48 2HB SER 48 8.475 9.641 -0.848 345 2HB SER 48 1HB SER 48 9.006 8.089 -1.491 346 HG SER 48 HG SER 48 8.867 9.270 -3.283 347 H SER 49 H SER 49 5.734 6.071 -1.693 348 HA SER 49 HA SER 49 7.283 4.306 0.066 349 1HB SER 49 2HB SER 49 5.341 2.690 -0.784 350 2HB SER 49 1HB SER 49 5.077 3.814 0.552 351 HG SER 49 HG SER 49 3.475 3.808 -1.226 352 H TYR 50 H TYR 50 8.443 2.629 -0.740 353 HA TYR 50 HA TYR 50 8.857 2.689 -3.639 354 1HB TYR 50 2HB TYR 50 10.576 2.217 -1.305 355 2HB TYR 50 1HB TYR 50 10.859 1.110 -2.648 356 HD1 TYR 50 1HD TYR 50 11.474 4.370 -1.350 357 HD2 TYR 50 2HD TYR 50 11.227 2.138 -4.958 358 HE1 TYR 50 1HE TYR 50 12.753 6.111 -2.506 359 HE2 TYR 50 2HE TYR 50 12.502 3.876 -6.129 360 HH TYR 50 HH TYR 50 13.073 6.190 -5.932 361 H THR 51 H THR 51 8.129 1.122 -4.871 362 HA THR 51 HA THR 51 7.173 -1.349 -3.618 363 HB THR 51 HB THR 51 6.701 -1.018 -6.487 364 HG1 THR 51 1HG THR 51 6.151 1.049 -4.701 365 1HG2 THR 51 1HG2 THR 51 4.304 -1.094 -5.015 366 2HG2 THR 51 2HG2 THR 51 5.441 -2.136 -4.162 367 3HG2 THR 51 3HG2 THR 51 5.088 -2.427 -5.864 368 H LYS 52 H LYS 52 8.786 -2.794 -3.464 369 HA LYS 52 HA LYS 52 9.991 -3.750 -5.908 370 1HB LYS 52 2HB LYS 52 11.417 -1.905 -4.316 371 2HB LYS 52 1HB LYS 52 12.138 -3.482 -4.008 372 1HG LYS 52 2HG LYS 52 13.125 -3.519 -6.001 373 2HG LYS 52 1HG LYS 52 11.638 -3.047 -6.827 374 1HD LYS 52 2HD LYS 52 12.061 -0.723 -6.364 375 2HD LYS 52 1HD LYS 52 13.464 -1.138 -5.379 376 1HE LYS 52 2HE LYS 52 14.765 -1.115 -7.171 377 2HE LYS 52 1HE LYS 52 13.763 -2.347 -7.938 378 1HZ LYS 52 1HZ LYS 52 12.240 -0.379 -8.517 379 2HZ LYS 52 2HZ LYS 52 13.669 -0.580 -9.408 380 3HZ LYS 52 3HZ LYS 52 13.595 0.593 -8.180 381 H SER 53 H SER 53 10.586 -5.868 -5.786 382 HA SER 53 HA SER 53 10.697 -8.004 -5.012 383 1HB SER 53 2HB SER 53 11.075 -6.632 -2.340 384 2HB SER 53 1HB SER 53 11.268 -8.364 -2.607 385 HG SER 53 HG SER 53 13.163 -8.019 -3.437 386 H GLY 54 H GLY 54 8.157 -6.352 -5.031 387 1HA GLY 54 1HA GLY 54 5.926 -6.860 -4.686 388 2HA GLY 54 2HA GLY 54 6.422 -8.355 -3.902 389 H MET 55 H MET 55 8.039 -5.723 -2.622 390 HA MET 55 HA MET 55 6.107 -5.500 -0.416 391 1HB MET 55 2HB MET 55 7.738 -5.782 1.165 392 2HB MET 55 1HB MET 55 8.434 -6.761 -0.116 393 1HG MET 55 2HG MET 55 9.886 -4.933 -0.761 394 2HG MET 55 1HG MET 55 9.151 -3.894 0.458 395 1HE MET 55 1HE MET 55 12.623 -6.689 0.963 396 2HE MET 55 2HE MET 55 11.423 -6.903 -0.312 397 3HE MET 55 3HE MET 55 12.339 -5.400 -0.204 398 H ILE 56 H ILE 56 6.527 -3.485 0.912 399 HA ILE 56 HA ILE 56 7.220 -1.249 -0.882 400 HB ILE 56 HB ILE 56 4.773 -1.697 0.756 401 1HG1 ILE 56 2HG1 ILE 56 5.249 -0.127 -1.781 402 1HG2 ILE 56 1HG2 ILE 56 4.674 0.297 1.724 403 2HG2 ILE 56 2HG2 ILE 56 6.321 0.616 1.178 404 3HG2 ILE 56 3HG2 ILE 56 4.952 1.095 0.177 405 1HD1 ILE 56 1HD1 ILE 56 2.825 -0.846 -2.170 406 2HD1 ILE 56 2HD1 ILE 56 2.768 -1.110 -0.426 407 3HD1 ILE 56 3HD1 ILE 56 3.132 0.494 -1.066 408 H LEU 57 H LEU 57 8.803 -0.027 -0.129 409 HA LEU 57 HA LEU 57 9.268 0.040 2.791 410 1HB LEU 57 2HB LEU 57 11.250 0.378 0.530 411 2HB LEU 57 1HB LEU 57 11.597 0.777 2.192 412 HG LEU 57 HG LEU 57 10.641 -1.871 2.196 413 1HD1 LEU 57 1HD1 LEU 57 11.696 -3.009 0.550 414 2HD1 LEU 57 2HD1 LEU 57 11.484 -1.485 -0.311 415 3HD1 LEU 57 3HD1 LEU 57 13.027 -1.856 0.460 416 1HD2 LEU 57 1HD2 LEU 57 13.029 -0.342 2.932 417 2HD2 LEU 57 2HD2 LEU 57 12.144 -1.570 3.834 418 3HD2 LEU 57 3HD2 LEU 57 13.317 -2.050 2.608 419 H CYS 58 H CYS 58 10.798 1.949 3.159 420 HA CYS 58 HA CYS 58 9.246 4.351 2.730 421 1HB CYS 58 2HB CYS 58 11.421 4.789 4.390 422 2HB CYS 58 1HB CYS 58 9.821 4.245 4.919 423 H ARG 59 H ARG 59 10.141 6.244 1.828 424 HA ARG 59 HA ARG 59 12.215 5.983 -0.106 425 1HB ARG 59 2HB ARG 59 10.581 7.695 -0.451 426 2HB ARG 59 1HB ARG 59 10.851 8.372 1.146 427 1HG ARG 59 2HG ARG 59 11.813 9.805 -0.537 428 2HG ARG 59 1HG ARG 59 13.095 9.089 0.442 429 1HD ARG 59 2HD ARG 59 14.051 8.383 -1.433 430 2HD ARG 59 1HD ARG 59 12.675 7.307 -1.672 431 HE ARG 59 HE ARG 59 11.704 8.903 -3.123 432 1HH1 ARG 59 2HH1 ARG 59 14.942 9.744 -2.062 433 2HH1 ARG 59 1HH1 ARG 59 15.144 10.962 -3.279 434 1HH2 ARG 59 2HH2 ARG 59 11.974 10.487 -4.707 435 2HH2 ARG 59 1HH2 ARG 59 13.453 11.392 -4.782 436 H ASN 60 H ASN 60 12.126 6.535 3.258 437 HA ASN 60 HA ASN 60 14.732 7.747 3.450 438 1HB ASN 60 2HB ASN 60 12.889 8.292 5.021 439 2HB ASN 60 1HB ASN 60 12.941 6.637 5.617 440 1HD2 ASN 60 1HD2 ASN 60 14.387 6.105 7.156 441 2HD2 ASN 60 2HD2 ASN 60 15.566 7.195 7.806 442 H ASP 61 H ASP 61 13.321 4.521 3.974 443 HA ASP 61 HA ASP 61 15.937 3.653 4.964 444 1HB ASP 61 2HB ASP 61 13.197 2.445 5.293 445 2HB ASP 61 1HB ASP 61 14.661 1.725 5.930 446 H TYR 62 H TYR 62 13.903 3.320 2.250 447 HA TYR 62 HA TYR 62 14.576 0.814 1.233 448 1HB TYR 62 2HB TYR 62 12.957 2.037 0.050 449 2HB TYR 62 1HB TYR 62 13.972 3.467 -0.047 450 HD1 TYR 62 1HD TYR 62 13.380 0.109 -1.438 451 HD2 TYR 62 2HD TYR 62 15.512 3.767 -1.855 452 HE1 TYR 62 1HE TYR 62 14.032 -0.536 -3.714 453 HE2 TYR 62 2HE TYR 62 16.180 3.127 -4.133 454 HH TYR 62 HH TYR 62 14.954 1.373 -5.988 455 H ILE 63 H ILE 63 16.444 3.751 1.440 456 HA ILE 63 HA ILE 63 18.509 3.028 -0.365 457 HB ILE 63 HB ILE 63 19.166 4.829 1.901 458 1HG1 ILE 63 2HG1 ILE 63 16.753 5.293 1.382 459 1HG2 ILE 63 1HG2 ILE 63 20.471 4.279 -0.311 460 2HG2 ILE 63 2HG2 ILE 63 19.423 5.528 -0.980 461 3HG2 ILE 63 3HG2 ILE 63 20.487 5.902 0.375 462 1HD1 ILE 63 1HD1 ILE 63 17.382 6.721 -1.086 463 2HD1 ILE 63 2HD1 ILE 63 17.369 4.963 -1.239 464 3HD1 ILE 63 3HD1 ILE 63 15.945 5.806 -0.628 465 H ARG 64 H ARG 64 17.769 1.969 2.793 466 HA ARG 64 HA ARG 64 20.520 1.055 3.251 467 1HB ARG 64 2HB ARG 64 20.106 1.134 5.471 468 2HB ARG 64 1HB ARG 64 18.768 2.168 5.004 469 1HG ARG 64 2HG ARG 64 17.605 -0.265 4.822 470 2HG ARG 64 1HG ARG 64 18.767 -0.545 6.120 471 1HD ARG 64 2HD ARG 64 16.600 1.547 6.009 472 2HD ARG 64 1HD ARG 64 16.715 0.175 7.110 473 HE ARG 64 HE ARG 64 18.763 2.287 7.174 474 1HH1 ARG 64 2HH1 ARG 64 16.175 0.514 8.745 475 2HH1 ARG 64 1HH1 ARG 64 16.519 1.180 10.315 476 1HH2 ARG 64 2HH2 ARG 64 19.198 3.162 9.219 477 2HH2 ARG 64 1HH2 ARG 64 18.239 2.679 10.591 478 H LEU 65 H LEU 65 17.821 0.059 1.720 479 HA LEU 65 HA LEU 65 18.276 -2.790 2.314 480 1HB LEU 65 2HB LEU 65 15.883 -1.205 1.776 481 2HB LEU 65 1HB LEU 65 15.989 -2.633 0.766 482 HG LEU 65 HG LEU 65 14.686 -3.169 2.700 483 1HD1 LEU 65 1HD1 LEU 65 15.710 -5.134 3.313 484 2HD1 LEU 65 2HD1 LEU 65 16.576 -4.739 1.829 485 3HD1 LEU 65 3HD1 LEU 65 17.312 -4.402 3.396 486 1HD2 LEU 65 1HD2 LEU 65 16.696 -1.566 4.064 487 2HD2 LEU 65 2HD2 LEU 65 15.033 -1.931 4.524 488 3HD2 LEU 65 3HD2 LEU 65 16.324 -3.070 4.907 489 H PHE 66 H PHE 66 17.552 -0.549 -0.357 490 HA PHE 66 HA PHE 66 19.107 -2.296 -2.151 491 1HB PHE 66 2HB PHE 66 16.607 -0.786 -2.941 492 2HB PHE 66 1HB PHE 66 17.529 -1.902 -3.941 493 HD1 PHE 66 1HD PHE 66 17.434 -4.315 -3.505 494 HD2 PHE 66 2HD PHE 66 15.009 -1.561 -1.352 495 HE1 PHE 66 1HE PHE 66 15.986 -6.163 -2.774 496 HE2 PHE 66 2HE PHE 66 13.566 -3.410 -0.607 497 HZ PHE 66 HZ PHE 66 14.053 -5.715 -1.323 498 H GLY 67 H GLY 67 19.995 0.019 -0.705 499 1HA GLY 67 1HA GLY 67 20.537 1.800 -2.994 500 2HA GLY 67 2HA GLY 67 20.130 2.457 -1.417 501 H ASN 68 H ASN 68 22.161 3.581 -1.584 502 HA ASN 68 HA ASN 68 24.363 1.980 -0.534 503 1HB ASN 68 2HB ASN 68 25.871 3.490 -2.074 504 2HB ASN 68 1HB ASN 68 25.162 2.008 -2.704 505 1HD2 ASN 68 1HD2 ASN 68 24.329 2.206 -4.635 506 2HD2 ASN 68 2HD2 ASN 68 23.602 3.635 -5.298 507 H SER 69 H SER 69 26.277 3.767 -0.134 508 HA SER 69 HA SER 69 25.036 5.603 1.747 509 1HB SER 69 2HB SER 69 28.000 5.424 1.360 510 2HB SER 69 1HB SER 69 27.073 5.663 2.845 511 HG SER 69 HG SER 69 26.290 3.407 2.364 512 H GLY 70 H GLY 70 27.079 5.704 -1.129 513 1HA GLY 70 1HA GLY 70 27.293 8.585 -1.100 514 2HA GLY 70 2HA GLY 70 27.858 7.503 -2.364 515 H ALA 71 H ALA 71 24.718 8.372 -0.941 516 HA ALA 71 HA ALA 71 23.689 8.674 -3.682 517 1HB ALA 71 1HB ALA 71 21.458 8.176 -2.727 518 2HB ALA 71 2HB ALA 71 22.599 6.841 -2.543 519 3HB ALA 71 3HB ALA 71 22.225 7.880 -1.166 520 H GLY 72 H GLY 72 23.264 10.692 -4.258 521 1HA GLY 72 1HA GLY 72 22.116 12.542 -2.308 522 2HA GLY 72 2HA GLY 72 23.647 13.011 -3.038 523 H GLY 73 H GLY 73 21.322 14.531 -3.320 524 1HA GLY 73 1HA GLY 73 20.137 13.937 -5.893 525 2HA GLY 73 2HA GLY 73 19.825 15.349 -4.893 526 H SER 74 H SER 74 22.525 13.914 -6.697 527 HA SER 74 HA SER 74 23.856 16.370 -7.076 528 1HB SER 74 2HB SER 74 24.611 14.440 -9.060 529 2HB SER 74 1HB SER 74 25.501 14.960 -7.626 530 HG SER 74 HG SER 74 23.959 12.700 -8.043 531 H GLY 75 H GLY 75 21.441 14.685 -8.967 532 1HA GLY 75 1HA GLY 75 21.850 16.631 -11.149 533 2HA GLY 75 2HA GLY 75 21.068 15.065 -11.322 534 H GLY 76 H GLY 76 20.164 17.783 -12.010 535 1HA GLY 76 1HA GLY 76 17.990 18.365 -10.197 536 2HA GLY 76 2HA GLY 76 18.324 19.164 -11.725 537 H HIS 77 H HIS 77 17.421 15.905 -10.608 538 HA HIS 77 HA HIS 77 15.189 15.980 -12.504 539 1HB HIS 77 2HB HIS 77 15.619 13.635 -13.182 540 2HB HIS 77 1HB HIS 77 16.901 14.730 -13.680 541 HD1 HIS 77 1HD HIS 77 19.237 14.306 -12.771 542 HD2 HIS 77 2HD HIS 77 16.345 11.790 -11.147 543 HE1 HIS 77 1HE HIS 77 20.505 12.524 -11.522 544 HE2 HIS 77 2HE HIS 77 18.735 11.093 -10.439 545 H MET 78 H MET 78 15.374 16.360 -9.651 546 HA MET 78 HA MET 78 14.301 13.978 -8.409 547 1HB MET 78 2HB MET 78 15.676 15.926 -7.325 548 2HB MET 78 1HB MET 78 14.118 16.730 -7.227 549 1HG MET 78 2HG MET 78 13.237 14.901 -5.896 550 2HG MET 78 1HG MET 78 14.776 14.054 -6.026 551 1HE MET 78 1HE MET 78 16.820 17.239 -4.872 552 2HE MET 78 2HE MET 78 15.744 17.231 -6.269 553 3HE MET 78 3HE MET 78 15.340 18.197 -4.851 554 H GLY 79 H GLY 79 12.509 13.584 -9.789 555 1HA GLY 79 1HA GLY 79 10.500 15.557 -10.245 556 2HA GLY 79 2HA GLY 79 10.366 13.838 -10.590 557 H SER 80 H SER 80 10.490 12.600 -8.265 558 HA SER 80 HA SER 80 8.021 13.357 -6.998 559 1HB SER 80 2HB SER 80 9.416 11.243 -5.632 560 2HB SER 80 1HB SER 80 7.925 11.162 -6.568 561 HG SER 80 HG SER 80 10.316 10.206 -7.208 562 H GLY 81 H GLY 81 7.913 14.771 -5.393 563 1HA GLY 81 1HA GLY 81 9.443 14.629 -3.044 564 2HA GLY 81 2HA GLY 81 10.144 15.856 -4.089 565 H GLY 82 H GLY 82 9.257 16.695 -1.731 566 1HA GLY 82 1HA GLY 82 6.521 17.454 -1.668 567 2HA GLY 82 2HA GLY 82 7.806 18.130 -0.675 568 H ASP 83 H ASP 83 9.370 19.565 -2.020 569 HA ASP 83 HA ASP 83 8.119 20.982 -4.204 570 1HB ASP 83 2HB ASP 83 7.292 21.969 -1.920 571 2HB ASP 83 1HB ASP 83 8.906 22.669 -1.846 572 H VAL 84 H VAL 84 9.581 22.547 -5.169 573 HA VAL 84 HA VAL 84 12.324 21.672 -5.061 574 HB VAL 84 HB VAL 84 11.430 24.146 -6.512 575 1HG1 VAL 84 1HG1 VAL 84 13.430 24.001 -7.475 576 2HG1 VAL 84 2HG1 VAL 84 13.813 22.693 -6.354 577 3HG1 VAL 84 3HG1 VAL 84 13.143 22.323 -7.942 578 1HG2 VAL 84 1HG2 VAL 84 10.175 23.070 -8.021 579 2HG2 VAL 84 2HG2 VAL 84 11.283 21.702 -8.096 580 3HG2 VAL 84 3HG2 VAL 84 10.068 21.782 -6.823 581 H MET 85 H MET 85 10.396 24.318 -3.855 582 HA MET 85 HA MET 85 12.800 25.479 -2.603 583 1HB MET 85 2HB MET 85 11.237 27.471 -2.166 584 2HB MET 85 1HB MET 85 11.788 27.222 -3.815 585 1HG MET 85 2HG MET 85 9.703 26.361 -4.491 586 2HG MET 85 1HG MET 85 9.151 26.191 -2.826 587 1HE MET 85 1HE MET 85 9.247 27.827 -5.870 588 2HE MET 85 2HE MET 85 7.648 28.497 -5.548 589 3HE MET 85 3HE MET 85 9.043 29.569 -5.680 590 H VAL 86 H VAL 86 12.268 23.345 -1.333 591 HA VAL 86 HA VAL 86 10.153 23.425 0.556 592 HB VAL 86 HB VAL 86 11.905 21.725 1.728 593 1HG1 VAL 86 1HG1 VAL 86 9.673 21.531 -0.128 594 2HG1 VAL 86 2HG1 VAL 86 10.743 20.130 -0.184 595 3HG1 VAL 86 3HG1 VAL 86 10.009 20.618 1.342 596 1HG2 VAL 86 1HG2 VAL 86 12.625 21.841 -1.192 597 2HG2 VAL 86 2HG2 VAL 86 13.698 21.956 0.202 598 3HG2 VAL 86 3HG2 VAL 86 12.921 20.422 -0.188 599 H VAL 87 H VAL 87 10.027 25.002 1.980 600 HA VAL 87 HA VAL 87 10.501 26.460 3.642 601 HB VAL 87 HB VAL 87 12.694 24.679 4.651 602 1HG1 VAL 87 1HG1 VAL 87 10.481 25.739 6.323 603 2HG1 VAL 87 2HG1 VAL 87 12.195 25.552 6.700 604 3HG1 VAL 87 3HG1 VAL 87 11.653 26.895 5.691 605 1HG2 VAL 87 1HG2 VAL 87 11.327 22.952 5.250 606 2HG2 VAL 87 2HG2 VAL 87 9.903 23.984 5.375 607 3HG2 VAL 87 3HG2 VAL 87 10.476 23.463 3.792 608 H GLY 88 H GLY 88 13.719 25.752 4.343 609 1HA GLY 88 1HA GLY 88 14.779 27.639 2.368 610 2HA GLY 88 2HA GLY 88 14.952 28.049 4.071 611 H GLU 89 H GLU 89 15.152 24.863 2.582 612 HA GLU 89 HA GLU 89 17.983 24.742 3.387 613 1HB GLU 89 2HB GLU 89 15.824 22.655 3.669 614 2HB GLU 89 1HB GLU 89 17.537 22.272 3.783 615 1HG GLU 89 2HG GLU 89 17.212 22.609 5.968 616 2HG GLU 89 1HG GLU 89 17.380 24.310 5.535 617 HA PRO 90 HA PRO 90 18.132 24.264 -1.099 618 1HB PRO 90 2HB PRO 90 21.026 24.114 -0.417 619 2HB PRO 90 1HB PRO 90 20.201 25.117 -1.616 620 1HG PRO 90 2HG PRO 90 21.081 26.169 0.662 621 2HG PRO 90 1HG PRO 90 19.536 26.684 -0.043 622 1HD PRO 90 2HD PRO 90 20.057 24.870 2.271 623 2HD PRO 90 1HD PRO 90 18.769 26.069 2.045 624 H THR 91 H THR 91 17.562 22.339 -1.815 625 HA THR 91 HA THR 91 17.606 20.154 -2.413 626 HB THR 91 HB THR 91 20.483 19.727 -1.954 627 HG1 THR 91 1HG THR 91 19.582 21.786 -3.731 628 1HG2 THR 91 1HG2 THR 91 19.706 18.189 -3.437 629 2HG2 THR 91 2HG2 THR 91 20.091 19.460 -4.595 630 3HG2 THR 91 3HG2 THR 91 18.431 19.251 -4.035 631 H LEU 92 H LEU 92 17.389 20.831 0.502 632 HA LEU 92 HA LEU 92 18.528 18.427 1.729 633 1HB LEU 92 2HB LEU 92 18.016 21.019 2.665 634 2HB LEU 92 1HB LEU 92 16.847 19.994 3.476 635 HG LEU 92 HG LEU 92 19.121 18.543 3.817 636 1HD1 LEU 92 1HD1 LEU 92 19.929 21.245 3.150 637 2HD1 LEU 92 2HD1 LEU 92 20.482 20.758 4.755 638 3HD1 LEU 92 3HD1 LEU 92 20.902 19.785 3.345 639 1HD2 LEU 92 1HD2 LEU 92 18.556 20.711 5.770 640 2HD2 LEU 92 2HD2 LEU 92 17.282 19.544 5.412 641 3HD2 LEU 92 3HD2 LEU 92 18.836 18.991 6.036 642 H MET 93 H MET 93 16.797 17.677 -0.099 643 HA MET 93 HA MET 93 14.484 16.757 1.460 644 1HB MET 93 2HB MET 93 14.107 18.558 -0.475 645 2HB MET 93 1HB MET 93 14.175 17.123 -1.486 646 1HG MET 93 2HG MET 93 12.350 16.130 -0.219 647 2HG MET 93 1HG MET 93 12.289 17.555 0.816 648 1HE MET 93 1HE MET 93 12.080 18.521 -3.549 649 2HE MET 93 2HE MET 93 13.217 17.444 -2.743 650 3HE MET 93 3HE MET 93 11.700 16.805 -3.380 651 H GLY 94 H GLY 94 13.495 14.762 0.270 652 1HA GLY 94 1HA GLY 94 15.557 12.822 0.047 653 2HA GLY 94 2HA GLY 94 13.850 12.558 -0.275 654 H GLY 95 H GLY 95 16.947 12.995 -1.633 655 1HA GLY 95 1HA GLY 95 15.839 12.542 -4.298 656 2HA GLY 95 2HA GLY 95 16.791 14.005 -4.082 657 H GLU 96 H GLU 96 17.678 11.377 -2.126 658 HA GLU 96 HA GLU 96 20.278 11.228 -3.265 659 1HB GLU 96 2HB GLU 96 20.730 9.585 -1.576 660 2HB GLU 96 1HB GLU 96 19.747 10.849 -0.852 661 1HG GLU 96 2HG GLU 96 18.425 8.413 -1.948 662 2HG GLU 96 1HG GLU 96 19.242 8.334 -0.387 663 H PHE 97 H PHE 97 17.332 9.423 -3.654 664 HA PHE 97 HA PHE 97 18.704 7.714 -5.617 665 1HB PHE 97 2HB PHE 97 17.182 6.924 -3.360 666 2HB PHE 97 1HB PHE 97 16.216 6.557 -4.786 667 HD1 PHE 97 1HD PHE 97 19.510 6.001 -3.203 668 HD2 PHE 97 2HD PHE 97 16.728 4.732 -6.161 669 HE1 PHE 97 1HE PHE 97 20.844 3.968 -3.582 670 HE2 PHE 97 2HE PHE 97 18.057 2.698 -6.547 671 HZ PHE 97 HZ PHE 97 20.116 2.313 -5.255 672 H GLY 98 H GLY 98 17.969 7.791 -7.634 673 1HA GLY 98 1HA GLY 98 15.571 9.422 -8.154 674 2HA GLY 98 2HA GLY 98 16.857 9.086 -9.308 675 H ASP 99 H ASP 99 15.805 6.482 -7.390 676 HA ASP 99 HA ASP 99 15.013 4.933 -9.624 677 1HB ASP 99 2HB ASP 99 15.970 4.133 -7.380 678 2HB ASP 99 1HB ASP 99 14.335 4.304 -6.754 679 H GLU 100 H GLU 100 13.208 5.210 -10.706 680 HA GLU 100 HA GLU 100 10.985 6.625 -9.584 681 1HB GLU 100 2HB GLU 100 11.559 5.438 -12.286 682 2HB GLU 100 1HB GLU 100 9.983 6.115 -11.896 683 1HG GLU 100 2HG GLU 100 10.746 8.112 -12.442 684 2HG GLU 100 1HG GLU 100 11.875 8.024 -11.092 685 H ASP 101 H ASP 101 11.155 4.527 -8.024 686 HA ASP 101 HA ASP 101 8.851 2.863 -8.818 687 1HB ASP 101 2HB ASP 101 11.438 1.953 -8.160 688 2HB ASP 101 1HB ASP 101 10.437 1.609 -6.753 689 H GLU 102 H GLU 102 9.539 5.411 -7.188 690 HA GLU 102 HA GLU 102 8.347 4.654 -4.627 691 1HB GLU 102 2HB GLU 102 8.993 7.102 -4.082 692 2HB GLU 102 1HB GLU 102 10.259 5.886 -4.190 693 1HG GLU 102 2HG GLU 102 11.139 6.760 -6.082 694 2HG GLU 102 1HG GLU 102 9.591 7.377 -6.657 695 H ARG 103 H ARG 103 7.455 7.307 -4.028 696 HA ARG 103 HA ARG 103 5.604 8.602 -4.097 697 1HB ARG 103 2HB ARG 103 6.749 8.552 -6.713 698 2HB ARG 103 1HB ARG 103 5.000 8.647 -6.868 699 1HG ARG 103 2HG ARG 103 6.548 10.481 -5.069 700 2HG ARG 103 1HG ARG 103 6.265 10.835 -6.773 701 1HD ARG 103 2HD ARG 103 4.156 11.445 -6.397 702 2HD ARG 103 1HD ARG 103 3.844 10.033 -5.388 703 HE ARG 103 HE ARG 103 5.406 11.777 -3.888 704 1HH1 ARG 103 2HH1 ARG 103 2.241 11.786 -5.405 705 2HH1 ARG 103 1HH1 ARG 103 1.534 12.837 -4.209 706 1HH2 ARG 103 2HH2 ARG 103 4.478 13.179 -2.329 707 2HH2 ARG 103 1HH2 ARG 103 2.807 13.640 -2.479 708 H LEU 104 H LEU 104 5.201 5.639 -4.020 709 HA LEU 104 HA LEU 104 2.706 5.278 -5.449 710 1HB LEU 104 2HB LEU 104 4.612 3.534 -4.979 711 2HB LEU 104 1HB LEU 104 3.756 3.310 -3.465 712 HG LEU 104 HG LEU 104 1.684 3.066 -5.139 713 1HD1 LEU 104 1HD1 LEU 104 2.836 3.386 -7.184 714 2HD1 LEU 104 2HD1 LEU 104 4.108 2.255 -6.722 715 3HD1 LEU 104 3HD1 LEU 104 2.484 1.663 -7.066 716 1HD2 LEU 104 1HD2 LEU 104 3.084 0.556 -5.112 717 2HD2 LEU 104 2HD2 LEU 104 3.264 1.382 -3.564 718 3HD2 LEU 104 3HD2 LEU 104 1.654 1.051 -4.206 719 H ILE 105 H ILE 105 2.654 7.327 -3.482 720 HA ILE 105 HA ILE 105 0.683 6.153 -1.643 721 HB ILE 105 HB ILE 105 2.431 8.562 -1.097 722 1HG1 ILE 105 2HG1 ILE 105 2.282 5.813 0.168 723 1HG2 ILE 105 1HG2 ILE 105 0.711 9.262 0.159 724 2HG2 ILE 105 2HG2 ILE 105 -0.134 7.719 0.015 725 3HG2 ILE 105 3HG2 ILE 105 1.117 7.929 1.242 726 1HD1 ILE 105 1HD1 ILE 105 4.378 6.686 1.379 727 2HD1 ILE 105 2HD1 ILE 105 3.689 8.281 1.072 728 3HD1 ILE 105 3HD1 ILE 105 2.782 7.095 2.013 729 H THR 106 H THR 106 -1.171 6.520 -2.652 730 HA THR 106 HA THR 106 -1.713 9.248 -3.602 731 HB THR 106 HB THR 106 -2.946 6.592 -4.328 732 HG1 THR 106 1HG THR 106 -1.320 8.506 -5.563 733 1HG2 THR 106 1HG2 THR 106 -4.331 8.124 -5.929 734 2HG2 THR 106 2HG2 THR 106 -4.033 9.356 -4.702 735 3HG2 THR 106 3HG2 THR 106 -4.883 7.871 -4.272 736 H ARG 107 H ARG 107 -2.616 10.412 -2.056 737 HA ARG 107 HA ARG 107 -4.238 9.053 -0.022 738 1HB ARG 107 2HB ARG 107 -2.210 11.012 0.090 739 2HB ARG 107 1HB ARG 107 -3.699 11.820 0.558 740 1HG ARG 107 2HG ARG 107 -3.136 9.190 1.793 741 2HG ARG 107 1HG ARG 107 -2.149 10.563 2.300 742 1HD ARG 107 2HD ARG 107 -4.283 11.819 2.708 743 2HD ARG 107 1HD ARG 107 -5.148 10.307 2.426 744 HE ARG 107 HE ARG 107 -3.335 10.882 4.675 745 1HH1 ARG 107 2HH1 ARG 107 -5.711 8.806 3.146 746 2HH1 ARG 107 1HH1 ARG 107 -5.954 7.820 4.558 747 1HH2 ARG 107 2HH2 ARG 107 -3.653 9.583 6.540 748 2HH2 ARG 107 1HH2 ARG 107 -4.822 8.294 6.493 749 H LEU 108 H LEU 108 -6.286 8.970 -0.771 750 HA LEU 108 HA LEU 108 -7.514 11.564 -1.401 751 1HB LEU 108 2HB LEU 108 -7.545 9.116 -2.901 752 2HB LEU 108 1HB LEU 108 -9.174 9.499 -2.379 753 HG LEU 108 HG LEU 108 -8.477 11.903 -3.327 754 1HD1 LEU 108 1HD1 LEU 108 -6.325 11.547 -4.102 755 2HD1 LEU 108 2HD1 LEU 108 -6.690 9.921 -4.682 756 3HD1 LEU 108 3HD1 LEU 108 -7.297 11.327 -5.559 757 1HD2 LEU 108 1HD2 LEU 108 -9.985 9.650 -4.236 758 2HD2 LEU 108 2HD2 LEU 108 -10.276 11.368 -4.508 759 3HD2 LEU 108 3HD2 LEU 108 -9.245 10.462 -5.618 760 H GLU 109 H GLU 109 -8.328 12.121 0.486 761 HA GLU 109 HA GLU 109 -10.170 10.246 1.824 762 1HB GLU 109 2HB GLU 109 -8.688 12.677 2.846 763 2HB GLU 109 1HB GLU 109 -10.045 11.972 3.713 764 1HG GLU 109 2HG GLU 109 -8.812 9.854 3.883 765 2HG GLU 109 1HG GLU 109 -7.446 10.600 3.051 766 H ASN 110 H ASN 110 -12.321 10.911 2.031 767 HA ASN 110 HA ASN 110 -13.192 12.615 -0.018 768 1HB ASN 110 2HB ASN 110 -14.500 11.044 2.114 769 2HB ASN 110 1HB ASN 110 -15.449 12.354 1.406 770 1HD2 ASN 110 1HD2 ASN 110 -15.965 12.283 -0.778 771 2HD2 ASN 110 2HD2 ASN 110 -15.850 10.826 -1.705 772 H THR 111 H THR 111 -11.746 13.646 2.627 773 HA THR 111 HA THR 111 -13.402 15.949 3.238 774 HB THR 111 HB THR 111 -10.822 16.409 4.205 775 HG1 THR 111 1HG THR 111 -10.286 14.391 5.172 776 1HG2 THR 111 1HG2 THR 111 -11.806 16.200 6.326 777 2HG2 THR 111 2HG2 THR 111 -12.943 14.971 5.774 778 3HG2 THR 111 3HG2 THR 111 -13.151 16.649 5.276 779 H GLN 112 H GLN 112 -11.477 15.019 0.722 780 HA GLN 112 HA GLN 112 -10.140 17.513 0.180 781 1HB GLN 112 2HB GLN 112 -9.458 16.443 -1.918 782 2HB GLN 112 1HB GLN 112 -9.168 15.372 -0.553 783 1HG GLN 112 2HG GLN 112 -10.410 13.787 -1.464 784 2HG GLN 112 1HG GLN 112 -11.779 14.883 -1.630 785 1HE2 GLN 112 1HE2 GLN 112 -11.632 13.077 -3.497 786 2HE2 GLN 112 2HE2 GLN 112 -11.029 13.710 -4.993 787 H PHE 113 H PHE 113 -10.713 17.434 -2.707 788 HA PHE 113 HA PHE 113 -13.083 19.083 -2.705 789 1HB PHE 113 2HB PHE 113 -11.900 18.300 -5.297 790 2HB PHE 113 1HB PHE 113 -12.336 19.893 -4.692 791 HD1 PHE 113 1HD PHE 113 -9.677 17.849 -5.626 792 HD2 PHE 113 2HD PHE 113 -10.772 20.758 -2.718 793 HE1 PHE 113 1HE PHE 113 -7.301 18.330 -5.218 794 HE2 PHE 113 2HE PHE 113 -8.397 21.240 -2.302 795 HZ PHE 113 HZ PHE 113 -6.657 20.030 -3.554 796 H ASP 114 H ASP 114 -14.248 17.093 -1.878 797 HA ASP 114 HA ASP 114 -15.772 15.946 -4.058 798 1HB ASP 114 2HB ASP 114 -13.695 14.418 -3.313 799 2HB ASP 114 1HB ASP 114 -14.818 13.953 -2.042 800 H ALA 115 H ALA 115 -17.312 14.186 -2.707 801 HA ALA 115 HA ALA 115 -18.777 15.863 -0.855 802 1HB ALA 115 1HB ALA 115 -20.370 14.664 -1.912 803 2HB ALA 115 2HB ALA 115 -19.261 13.351 -2.304 804 3HB ALA 115 3HB ALA 115 -19.992 13.437 -0.703 805 H ALA 116 H ALA 116 -18.385 15.939 1.258 806 HA ALA 116 HA ALA 116 -16.331 14.447 2.451 807 1HB ALA 116 1HB ALA 116 -17.678 16.717 3.099 808 2HB ALA 116 2HB ALA 116 -18.287 15.591 4.310 809 3HB ALA 116 3HB ALA 116 -16.555 15.875 4.163 810 H ASN 117 H ASN 117 -19.742 13.818 2.187 811 HA ASN 117 HA ASN 117 -19.961 11.985 4.337 812 1HB ASN 117 2HB ASN 117 -21.858 13.130 3.047 813 2HB ASN 117 1HB ASN 117 -21.640 11.868 1.839 814 1HD2 ASN 117 1HD2 ASN 117 -22.842 10.136 2.076 815 2HD2 ASN 117 2HD2 ASN 117 -23.549 9.575 3.558 816 H GLY 118 H GLY 118 -18.950 11.640 0.999 817 1HA GLY 118 1HA GLY 118 -17.340 9.509 1.236 818 2HA GLY 118 2HA GLY 118 -18.918 8.745 1.141 819 H ILE 119 H ILE 119 -17.065 8.163 -0.742 820 HA ILE 119 HA ILE 119 -17.474 9.830 -3.076 821 HB ILE 119 HB ILE 119 -16.341 7.652 -4.156 822 1HG1 ILE 119 2HG1 ILE 119 -14.496 7.216 -2.211 823 1HG2 ILE 119 1HG2 ILE 119 -15.570 10.071 -4.015 824 2HG2 ILE 119 2HG2 ILE 119 -14.652 9.573 -2.594 825 3HG2 ILE 119 3HG2 ILE 119 -14.323 8.831 -4.161 826 1HD1 ILE 119 1HD1 ILE 119 -16.884 5.695 -3.065 827 2HD1 ILE 119 2HD1 ILE 119 -15.173 5.270 -3.145 828 3HD1 ILE 119 3HD1 ILE 119 -16.040 5.159 -1.612 829 H ASP 120 H ASP 120 -18.902 7.107 -1.579 830 HA ASP 120 HA ASP 120 -20.267 6.144 -3.932 831 1HB ASP 120 2HB ASP 120 -19.676 4.676 -1.985 832 2HB ASP 120 1HB ASP 120 -20.875 5.542 -1.031 833 H ASP 121 H ASP 121 -20.976 8.404 -4.394 834 HA ASP 121 HA ASP 121 -23.569 8.935 -3.095 835 1HB ASP 121 2HB ASP 121 -21.986 10.636 -2.362 836 2HB ASP 121 1HB ASP 121 -21.515 10.954 -4.028 837 H GLU 122 H GLU 122 -25.053 8.394 -4.521 838 HA GLU 122 HA GLU 122 -26.288 8.250 -6.411 839 1HB GLU 122 2HB GLU 122 -24.755 10.736 -6.821 840 2HB GLU 122 1HB GLU 122 -25.370 9.991 -8.290 841 1HG GLU 122 2HG GLU 122 -26.909 11.009 -5.930 842 2HG GLU 122 1HG GLU 122 -27.011 11.521 -7.613 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -9.425 -7.779 -8.410 2 2H GLY 1 2H GLY 1 -10.493 -7.387 -7.154 3 3H GLY 1 3H GLY 1 -10.049 -6.206 -8.289 4 1HA GLY 1 2HA GLY 1 -11.067 -7.749 -10.024 5 2HA GLY 1 1HA GLY 1 -11.828 -8.536 -8.646 6 H SER 2 H SER 2 -13.719 -7.763 -7.985 7 HA SER 2 HA SER 2 -14.657 -5.228 -9.094 8 1HB SER 2 2HB SER 2 -16.576 -6.463 -7.361 9 2HB SER 2 1HB SER 2 -16.651 -6.260 -9.110 10 HG SER 2 HG SER 2 -15.481 -8.206 -9.333 11 H LEU 3 H LEU 3 -13.604 -3.672 -7.944 12 HA LEU 3 HA LEU 3 -13.980 -3.707 -5.019 13 1HB LEU 3 2HB LEU 3 -11.612 -3.662 -6.480 14 2HB LEU 3 1HB LEU 3 -11.835 -1.997 -5.978 15 HG LEU 3 HG LEU 3 -11.692 -2.530 -3.702 16 1HD1 LEU 3 1HD1 LEU 3 -12.435 -4.409 -2.752 17 2HD1 LEU 3 2HD1 LEU 3 -13.095 -4.801 -4.340 18 3HD1 LEU 3 3HD1 LEU 3 -11.521 -5.437 -3.858 19 1HD2 LEU 3 1HD2 LEU 3 -9.711 -3.557 -5.506 20 2HD2 LEU 3 2HD2 LEU 3 -9.500 -2.784 -3.935 21 3HD2 LEU 3 3HD2 LEU 3 -9.753 -4.526 -4.033 22 H SER 4 H SER 4 -16.022 -2.625 -5.419 23 HA SER 4 HA SER 4 -15.820 0.150 -6.327 24 1HB SER 4 2HB SER 4 -18.426 -0.758 -5.340 25 2HB SER 4 1HB SER 4 -18.002 -0.017 -6.883 26 HG SER 4 HG SER 4 -17.735 -2.757 -6.150 27 H TRP 5 H TRP 5 -14.999 -1.279 -3.675 28 HA TRP 5 HA TRP 5 -15.888 0.912 -1.953 29 1HB TRP 5 2HB TRP 5 -16.027 -0.676 -0.037 30 2HB TRP 5 1HB TRP 5 -17.242 -0.974 -1.271 31 HD1 TRP 5 HD TRP 5 -16.249 -2.994 -3.162 32 HE1 TRP 5 1HE TRP 5 -15.315 -5.298 -2.496 33 HE3 TRP 5 3HE TRP 5 -14.993 -1.988 1.691 34 HZ2 TRP 5 2HZ TRP 5 -14.191 -6.518 -0.223 35 HZ3 TRP 5 3HZ TRP 5 -14.000 -3.784 3.042 36 HH2 TRP 5 HH TRP 5 -13.609 -6.002 2.106 37 H LYS 6 H LYS 6 -14.435 0.500 0.262 38 HA LYS 6 HA LYS 6 -11.721 0.697 -0.796 39 1HB LYS 6 2HB LYS 6 -13.184 1.921 1.414 40 2HB LYS 6 1HB LYS 6 -11.564 1.394 1.856 41 1HG LYS 6 2HG LYS 6 -10.542 2.857 0.429 42 2HG LYS 6 1HG LYS 6 -11.928 2.931 -0.661 43 1HD LYS 6 2HD LYS 6 -13.092 4.018 1.422 44 2HD LYS 6 1HD LYS 6 -11.429 4.380 1.887 45 1HE LYS 6 2HE LYS 6 -11.097 5.801 0.113 46 2HE LYS 6 1HE LYS 6 -12.310 5.006 -0.888 47 1HZ LYS 6 1HZ LYS 6 -13.322 6.981 -0.334 48 2HZ LYS 6 2HZ LYS 6 -12.680 7.017 1.235 49 3HZ LYS 6 3HZ LYS 6 -13.945 5.945 0.855 50 H ARG 7 H ARG 7 -10.532 -1.013 -0.764 51 HA ARG 7 HA ARG 7 -10.815 -2.958 1.432 52 1HB ARG 7 2HB ARG 7 -11.389 -3.487 -1.143 53 2HB ARG 7 1HB ARG 7 -9.663 -3.829 -1.164 54 1HG ARG 7 2HG ARG 7 -11.510 -5.043 0.865 55 2HG ARG 7 1HG ARG 7 -11.230 -5.772 -0.717 56 1HD ARG 7 2HD ARG 7 -9.140 -6.435 -0.189 57 2HD ARG 7 1HD ARG 7 -8.819 -5.003 0.788 58 HE ARG 7 HE ARG 7 -10.217 -6.083 2.541 59 1HH1 ARG 7 2HH1 ARG 7 -8.582 -7.991 0.102 60 2HH1 ARG 7 1HH1 ARG 7 -8.600 -9.455 1.042 61 1HH2 ARG 7 2HH2 ARG 7 -10.264 -8.013 3.775 62 2HH2 ARG 7 1HH2 ARG 7 -9.535 -9.460 3.140 63 H CYS 8 H CYS 8 -9.110 -2.991 2.719 64 HA CYS 8 HA CYS 8 -6.626 -1.778 1.954 65 1HB CYS 8 2HB CYS 8 -7.501 -1.488 4.216 66 2HB CYS 8 1HB CYS 8 -7.438 -3.227 4.480 67 H ALA 9 H ALA 9 -4.846 -2.700 1.280 68 HA ALA 9 HA ALA 9 -4.664 -5.635 1.240 69 1HB ALA 9 1HB ALA 9 -3.815 -5.436 -0.803 70 2HB ALA 9 2HB ALA 9 -4.118 -3.701 -0.725 71 3HB ALA 9 3HB ALA 9 -2.557 -4.349 -0.217 72 H GLY 10 H GLY 10 -3.871 -3.163 3.164 73 1HA GLY 10 1HA GLY 10 -1.096 -3.799 3.686 74 2HA GLY 10 2HA GLY 10 -2.095 -2.655 4.574 75 H CYS 11 H CYS 11 -4.117 -4.046 5.546 76 HA CYS 11 HA CYS 11 -2.803 -6.098 7.187 77 1HB CYS 11 2HB CYS 11 -4.585 -5.718 8.831 78 2HB CYS 11 1HB CYS 11 -3.695 -4.241 8.497 79 H GLY 12 H GLY 12 -5.223 -5.497 4.875 80 1HA GLY 12 1HA GLY 12 -6.282 -7.097 3.546 81 2HA GLY 12 2HA GLY 12 -5.803 -8.333 4.700 82 H GLY 13 H GLY 13 -7.783 -5.353 4.832 83 1HA GLY 13 1HA GLY 13 -10.052 -6.968 5.633 84 2HA GLY 13 2HA GLY 13 -9.487 -5.764 6.782 85 H LYS 14 H LYS 14 -11.347 -4.616 6.673 86 HA LYS 14 HA LYS 14 -12.025 -3.324 4.122 87 1HB LYS 14 2HB LYS 14 -13.891 -4.478 5.201 88 2HB LYS 14 1HB LYS 14 -13.625 -3.566 6.679 89 1HG LYS 14 2HG LYS 14 -14.086 -1.482 5.326 90 2HG LYS 14 1HG LYS 14 -14.639 -2.558 4.040 91 1HD LYS 14 2HD LYS 14 -16.349 -3.465 5.456 92 2HD LYS 14 1HD LYS 14 -15.722 -2.586 6.852 93 1HE LYS 14 2HE LYS 14 -17.034 -0.872 6.347 94 2HE LYS 14 1HE LYS 14 -16.198 -0.697 4.804 95 1HZ LYS 14 1HZ LYS 14 -17.979 -1.425 3.745 96 2HZ LYS 14 2HZ LYS 14 -18.828 -1.439 5.214 97 3HZ LYS 14 3HZ LYS 14 -18.036 -2.841 4.678 98 H ILE 15 H ILE 15 -11.815 -1.150 3.884 99 HA ILE 15 HA ILE 15 -10.460 0.276 6.032 100 HB ILE 15 HB ILE 15 -11.195 1.534 3.416 101 1HG1 ILE 15 2HG1 ILE 15 -8.864 -0.336 3.919 102 1HG2 ILE 15 1HG2 ILE 15 -10.123 3.190 4.465 103 2HG2 ILE 15 2HG2 ILE 15 -9.471 2.104 5.690 104 3HG2 ILE 15 3HG2 ILE 15 -8.650 2.278 4.140 105 1HD1 ILE 15 1HD1 ILE 15 -9.449 1.345 1.496 106 2HD1 ILE 15 2HD1 ILE 15 -8.082 1.532 2.596 107 3HD1 ILE 15 3HD1 ILE 15 -8.222 0.081 1.601 108 H ALA 16 H ALA 16 -12.095 0.522 7.535 109 HA ALA 16 HA ALA 16 -14.397 2.167 6.736 110 1HB ALA 16 1HB ALA 16 -14.538 -0.053 8.132 111 2HB ALA 16 2HB ALA 16 -14.120 1.014 9.473 112 3HB ALA 16 3HB ALA 16 -15.573 1.322 8.521 113 H ASP 17 H ASP 17 -11.532 2.960 7.189 114 HA ASP 17 HA ASP 17 -11.781 4.778 9.465 115 1HB ASP 17 2HB ASP 17 -9.548 3.543 7.988 116 2HB ASP 17 1HB ASP 17 -9.291 5.229 8.426 117 H ARG 18 H ARG 18 -11.332 7.037 9.197 118 HA ARG 18 HA ARG 18 -12.378 8.074 6.697 119 1HB ARG 18 2HB ARG 18 -13.113 8.946 8.921 120 2HB ARG 18 1HB ARG 18 -11.489 9.567 9.173 121 1HG ARG 18 2HG ARG 18 -11.717 11.087 7.339 122 2HG ARG 18 1HG ARG 18 -13.272 10.392 6.895 123 1HD ARG 18 2HD ARG 18 -13.784 12.367 8.072 124 2HD ARG 18 1HD ARG 18 -14.053 11.060 9.226 125 HE ARG 18 HE ARG 18 -11.812 11.612 10.139 126 1HH1 ARG 18 2HH1 ARG 18 -13.639 14.036 8.383 127 2HH1 ARG 18 1HH1 ARG 18 -12.757 15.371 9.070 128 1HH2 ARG 18 2HH2 ARG 18 -10.673 13.345 11.050 129 2HH2 ARG 18 1HH2 ARG 18 -11.069 14.980 10.600 130 H PHE 19 H PHE 19 -9.545 6.941 7.259 131 HA PHE 19 HA PHE 19 -8.138 8.887 5.623 132 1HB PHE 19 2HB PHE 19 -7.077 7.788 8.239 133 2HB PHE 19 1HB PHE 19 -6.061 8.561 7.027 134 HD1 PHE 19 1HD PHE 19 -8.123 10.700 6.247 135 HD2 PHE 19 2HD PHE 19 -6.671 9.328 9.998 136 HE1 PHE 19 1HE PHE 19 -8.627 12.887 7.228 137 HE2 PHE 19 2HE PHE 19 -7.183 11.518 10.996 138 HZ PHE 19 HZ PHE 19 -8.163 13.301 9.605 139 H LEU 20 H LEU 20 -7.696 7.689 3.846 140 HA LEU 20 HA LEU 20 -6.480 5.064 4.254 141 1HB LEU 20 2HB LEU 20 -7.949 3.907 2.952 142 2HB LEU 20 1HB LEU 20 -9.014 5.055 3.712 143 HG LEU 20 HG LEU 20 -9.865 5.160 1.634 144 1HD1 LEU 20 1HD1 LEU 20 -9.533 7.304 1.240 145 2HD1 LEU 20 2HD1 LEU 20 -7.895 7.243 1.899 146 3HD1 LEU 20 3HD1 LEU 20 -8.182 6.828 0.207 147 1HD2 LEU 20 1HD2 LEU 20 -8.852 4.468 -0.360 148 2HD2 LEU 20 2HD2 LEU 20 -7.229 4.686 0.294 149 3HD2 LEU 20 3HD2 LEU 20 -8.253 3.378 0.891 150 H LEU 21 H LEU 21 -5.798 4.207 1.913 151 HA LEU 21 HA LEU 21 -4.622 6.368 0.337 152 1HB LEU 21 2HB LEU 21 -3.148 5.252 2.327 153 2HB LEU 21 1HB LEU 21 -2.774 4.161 1.007 154 HG LEU 21 HG LEU 21 -2.544 6.997 0.300 155 1HD1 LEU 21 1HD1 LEU 21 -1.045 5.835 2.602 156 2HD1 LEU 21 2HD1 LEU 21 -0.223 6.946 1.505 157 3HD1 LEU 21 3HD1 LEU 21 -1.667 7.470 2.370 158 1HD2 LEU 21 1HD2 LEU 21 -0.348 5.001 0.131 159 2HD2 LEU 21 2HD2 LEU 21 -1.781 4.760 -0.870 160 3HD2 LEU 21 3HD2 LEU 21 -0.840 6.243 -1.020 161 H TYR 22 H TYR 22 -3.906 5.662 -1.762 162 HA TYR 22 HA TYR 22 -4.653 2.898 -2.461 163 1HB TYR 22 2HB TYR 22 -4.758 5.033 -4.560 164 2HB TYR 22 1HB TYR 22 -5.569 3.480 -4.515 165 HD1 TYR 22 1HD TYR 22 -7.658 3.201 -3.298 166 HD2 TYR 22 2HD TYR 22 -5.759 6.999 -3.522 167 HE1 TYR 22 1HE TYR 22 -9.756 4.283 -2.625 168 HE2 TYR 22 2HE TYR 22 -7.852 8.090 -2.843 169 HH TYR 22 HH TYR 22 -10.857 6.324 -2.643 170 H ALA 23 H ALA 23 -2.985 1.762 -3.266 171 HA ALA 23 HA ALA 23 -0.861 3.107 -4.725 172 1HB ALA 23 1HB ALA 23 0.112 1.428 -2.482 173 2HB ALA 23 2HB ALA 23 0.851 2.831 -3.252 174 3HB ALA 23 3HB ALA 23 -0.466 3.049 -2.100 175 H MET 24 H MET 24 -0.339 1.888 -6.383 176 HA MET 24 HA MET 24 0.062 0.122 -7.745 177 1HB MET 24 2HB MET 24 0.558 -1.024 -5.068 178 2HB MET 24 1HB MET 24 0.198 -2.193 -6.332 179 1HG MET 24 2HG MET 24 2.157 -1.873 -7.374 180 2HG MET 24 1HG MET 24 2.157 -0.137 -7.065 181 1HE MET 24 1HE MET 24 2.191 0.573 -4.317 182 2HE MET 24 2HE MET 24 3.794 0.263 -3.647 183 3HE MET 24 3HE MET 24 3.632 0.995 -5.246 184 H ASP 25 H ASP 25 -2.561 0.991 -7.116 185 HA ASP 25 HA ASP 25 -4.692 0.508 -7.711 186 1HB ASP 25 2HB ASP 25 -3.271 -1.786 -8.846 187 2HB ASP 25 1HB ASP 25 -4.942 -2.138 -8.416 188 H SER 26 H SER 26 -2.996 -1.216 -5.351 189 HA SER 26 HA SER 26 -5.395 -2.374 -4.172 190 1HB SER 26 2HB SER 26 -2.860 -2.286 -2.637 191 2HB SER 26 1HB SER 26 -4.007 -3.609 -2.843 192 HG SER 26 HG SER 26 -1.991 -4.003 -3.879 193 H TYR 27 H TYR 27 -6.282 -1.616 -2.225 194 HA TYR 27 HA TYR 27 -5.576 1.165 -1.649 195 1HB TYR 27 2HB TYR 27 -8.053 -0.270 -0.688 196 2HB TYR 27 1HB TYR 27 -7.768 1.464 -0.756 197 HD1 TYR 27 1HD TYR 27 -6.633 1.608 -3.575 198 HD2 TYR 27 2HD TYR 27 -10.011 -0.439 -1.974 199 HE1 TYR 27 1HE TYR 27 -7.717 1.671 -5.781 200 HE2 TYR 27 2HE TYR 27 -11.099 -0.375 -4.176 201 HH TYR 27 HH TYR 27 -9.465 1.059 -7.002 202 H TRP 28 H TRP 28 -5.553 1.851 0.577 203 HA TRP 28 HA TRP 28 -4.679 -0.232 2.458 204 1HB TRP 28 2HB TRP 28 -3.213 2.353 1.849 205 2HB TRP 28 1HB TRP 28 -2.735 1.159 3.048 206 HD1 TRP 28 HD TRP 28 -3.096 1.462 -0.802 207 HE1 TRP 28 1HE TRP 28 -1.356 -0.093 -1.894 208 HE3 TRP 28 3HE TRP 28 -1.210 -0.718 3.415 209 HZ2 TRP 28 2HZ TRP 28 0.578 -1.975 -1.060 210 HZ3 TRP 28 3HZ TRP 28 0.579 -2.384 3.182 211 HH2 TRP 28 HH TRP 28 1.455 -3.003 0.993 212 H HIS 29 H HIS 29 -4.440 0.665 4.685 213 HA HIS 29 HA HIS 29 -6.740 2.277 5.352 214 1HB HIS 29 2HB HIS 29 -4.855 0.521 6.760 215 2HB HIS 29 1HB HIS 29 -5.370 1.919 7.696 216 HD2 HIS 29 2HD HIS 29 -8.382 2.100 7.618 217 HE1 HIS 29 1HE HIS 29 -8.530 -2.134 7.760 218 HE2 HIS 29 2HE HIS 29 -9.773 0.018 8.328 219 H SER 30 H SER 30 -5.242 3.223 7.792 220 HA SER 30 HA SER 30 -4.285 5.712 6.635 221 1HB SER 30 2HB SER 30 -4.275 5.345 9.573 222 2HB SER 30 1HB SER 30 -4.871 6.693 8.607 223 HG SER 30 HG SER 30 -6.664 5.300 8.029 224 H ARG 31 H ARG 31 -3.179 3.410 9.134 225 HA ARG 31 HA ARG 31 -0.420 4.231 8.543 226 1HB ARG 31 2HB ARG 31 -1.832 3.326 10.952 227 2HB ARG 31 1HB ARG 31 -0.252 2.587 10.727 228 1HG ARG 31 2HG ARG 31 0.830 4.468 11.256 229 2HG ARG 31 1HG ARG 31 -0.255 5.473 10.293 230 1HD ARG 31 2HD ARG 31 -1.951 5.218 12.130 231 2HD ARG 31 1HD ARG 31 -0.690 4.452 13.094 232 HE ARG 31 HE ARG 31 -0.615 7.247 12.147 233 1HH1 ARG 31 2HH1 ARG 31 0.302 4.753 14.428 234 2HH1 ARG 31 1HH1 ARG 31 1.065 5.863 15.531 235 1HH2 ARG 31 2HH2 ARG 31 0.379 8.717 13.600 236 2HH2 ARG 31 1HH2 ARG 31 1.072 8.115 15.080 237 H CYS 32 H CYS 32 -2.381 2.068 7.277 238 HA CYS 32 HA CYS 32 -0.861 -0.333 7.648 239 1HB CYS 32 2HB CYS 32 -3.268 0.412 6.043 240 2HB CYS 32 1HB CYS 32 -2.393 -1.062 5.630 241 H LEU 33 H LEU 33 -0.681 2.344 5.523 242 HA LEU 33 HA LEU 33 1.184 0.905 3.775 243 1HB LEU 33 2HB LEU 33 -0.486 2.467 2.728 244 2HB LEU 33 1HB LEU 33 0.324 3.790 3.548 245 HG LEU 33 HG LEU 33 2.372 2.442 2.217 246 1HD1 LEU 33 1HD1 LEU 33 1.054 1.188 0.782 247 2HD1 LEU 33 2HD1 LEU 33 -0.157 2.460 0.622 248 3HD1 LEU 33 3HD1 LEU 33 1.413 2.631 -0.167 249 1HD2 LEU 33 1HD2 LEU 33 2.744 4.627 2.026 250 2HD2 LEU 33 2HD2 LEU 33 1.712 4.560 0.597 251 3HD2 LEU 33 3HD2 LEU 33 1.028 5.016 2.158 252 H LYS 34 H LYS 34 2.605 0.564 5.507 253 HA LYS 34 HA LYS 34 4.176 2.931 6.278 254 1HB LYS 34 2HB LYS 34 4.207 2.276 8.522 255 2HB LYS 34 1HB LYS 34 2.549 1.959 8.038 256 1HG LYS 34 2HG LYS 34 4.626 -0.202 7.969 257 2HG LYS 34 1HG LYS 34 3.762 0.202 9.451 258 1HD LYS 34 2HD LYS 34 1.781 -0.627 8.686 259 2HD LYS 34 1HD LYS 34 2.146 -0.240 7.004 260 1HE LYS 34 2HE LYS 34 3.202 -2.543 8.630 261 2HE LYS 34 1HE LYS 34 2.131 -2.616 7.230 262 1HZ LYS 34 1HZ LYS 34 4.913 -1.581 7.123 263 2HZ LYS 34 2HZ LYS 34 3.882 -1.902 5.815 264 3HZ LYS 34 3HZ LYS 34 4.484 -3.180 6.755 265 H CYS 35 H CYS 35 6.323 2.294 7.192 266 HA CYS 35 HA CYS 35 7.782 0.822 5.323 267 1HB CYS 35 2HB CYS 35 8.722 2.578 6.795 268 2HB CYS 35 1HB CYS 35 8.555 1.495 8.172 269 H SER 36 H SER 36 9.095 -1.100 5.740 270 HA SER 36 HA SER 36 7.498 -3.183 6.975 271 1HB SER 36 2HB SER 36 10.094 -3.323 5.424 272 2HB SER 36 1HB SER 36 9.165 -4.718 5.977 273 HG SER 36 HG SER 36 8.223 -2.689 4.208 274 H SER 37 H SER 37 10.218 -1.210 7.708 275 HA SER 37 HA SER 37 10.880 -2.973 9.974 276 1HB SER 37 2HB SER 37 12.733 -0.800 9.118 277 2HB SER 37 1HB SER 37 13.094 -2.394 9.783 278 HG SER 37 HG SER 37 13.270 -1.748 7.302 279 H CYS 38 H CYS 38 10.513 0.463 9.082 280 HA CYS 38 HA CYS 38 10.620 1.347 11.810 281 1HB CYS 38 2HB CYS 38 9.547 2.800 9.386 282 2HB CYS 38 1HB CYS 38 9.976 3.525 10.931 283 H GLN 39 H GLN 39 8.130 0.585 9.481 284 HA GLN 39 HA GLN 39 5.902 0.257 9.622 285 1HB GLN 39 2HB GLN 39 6.765 -0.277 12.420 286 2HB GLN 39 1HB GLN 39 5.044 -0.069 12.118 287 1HG GLN 39 2HG GLN 39 4.886 -2.132 11.333 288 2HG GLN 39 1HG GLN 39 6.156 -1.821 10.150 289 1HE2 GLN 39 1HE2 GLN 39 8.059 -2.799 10.402 290 2HE2 GLN 39 2HE2 GLN 39 8.535 -3.717 11.786 291 H ALA 40 H ALA 40 7.080 2.884 9.726 292 HA ALA 40 HA ALA 40 4.981 4.410 11.055 293 1HB ALA 40 1HB ALA 40 7.385 5.613 9.721 294 2HB ALA 40 2HB ALA 40 6.366 6.292 10.992 295 3HB ALA 40 3HB ALA 40 7.486 4.981 11.365 296 H GLN 41 H GLN 41 3.767 5.788 9.825 297 HA GLN 41 HA GLN 41 2.932 4.816 7.356 298 1HB GLN 41 2HB GLN 41 1.622 6.232 9.014 299 2HB GLN 41 1HB GLN 41 2.434 7.626 8.318 300 1HG GLN 41 2HG GLN 41 1.523 6.569 6.071 301 2HG GLN 41 1HG GLN 41 0.328 5.886 7.175 302 1HE2 GLN 41 1HE2 GLN 41 -1.454 7.047 6.948 303 2HE2 GLN 41 2HE2 GLN 41 -1.541 8.778 6.984 304 H LEU 42 H LEU 42 3.593 5.094 5.351 305 HA LEU 42 HA LEU 42 5.931 6.635 4.801 306 1HB LEU 42 2HB LEU 42 4.358 4.601 3.492 307 2HB LEU 42 1HB LEU 42 4.756 5.881 2.364 308 HG LEU 42 HG LEU 42 6.710 4.864 2.032 309 1HD1 LEU 42 1HD1 LEU 42 7.548 5.087 4.879 310 2HD1 LEU 42 2HD1 LEU 42 8.461 5.406 3.406 311 3HD1 LEU 42 3HD1 LEU 42 7.244 6.559 3.956 312 1HD2 LEU 42 1HD2 LEU 42 5.469 2.880 3.161 313 2HD2 LEU 42 2HD2 LEU 42 7.213 2.796 2.911 314 3HD2 LEU 42 3HD2 LEU 42 6.569 3.197 4.502 315 H GLY 43 H GLY 43 2.853 7.640 5.191 316 1HA GLY 43 1HA GLY 43 3.013 9.695 3.087 317 2HA GLY 43 2HA GLY 43 1.541 9.215 3.920 318 H ASP 44 H ASP 44 3.971 9.357 6.168 319 HA ASP 44 HA ASP 44 3.092 12.015 7.042 320 1HB ASP 44 2HB ASP 44 2.837 10.291 8.720 321 2HB ASP 44 1HB ASP 44 4.513 9.790 8.521 322 H ILE 45 H ILE 45 6.030 10.116 6.545 323 HA ILE 45 HA ILE 45 7.720 12.471 6.777 324 HB ILE 45 HB ILE 45 9.549 10.799 6.124 325 1HG1 ILE 45 2HG1 ILE 45 7.738 8.638 7.072 326 1HG2 ILE 45 1HG2 ILE 45 7.985 10.374 8.668 327 2HG2 ILE 45 2HG2 ILE 45 9.659 9.889 8.400 328 3HG2 ILE 45 3HG2 ILE 45 9.227 11.599 8.399 329 1HD1 ILE 45 1HD1 ILE 45 10.275 8.535 6.386 330 2HD1 ILE 45 2HD1 ILE 45 9.165 7.208 6.043 331 3HD1 ILE 45 3HD1 ILE 45 9.582 8.359 4.772 332 H GLY 46 H GLY 46 6.098 13.093 4.927 333 1HA GLY 46 1HA GLY 46 6.262 13.968 2.715 334 2HA GLY 46 2HA GLY 46 7.526 12.788 2.374 335 H THR 47 H THR 47 6.234 12.234 0.444 336 HA THR 47 HA THR 47 4.361 10.118 1.202 337 HB THR 47 HB THR 47 3.121 11.077 -1.054 338 HG1 THR 47 1HG THR 47 4.253 13.041 -1.010 339 1HG2 THR 47 1HG2 THR 47 1.402 10.837 0.343 340 2HG2 THR 47 2HG2 THR 47 1.889 12.284 1.224 341 3HG2 THR 47 3HG2 THR 47 2.532 10.709 1.689 342 H SER 48 H SER 48 5.589 8.469 0.489 343 HA SER 48 HA SER 48 5.685 8.012 -2.318 344 1HB SER 48 2HB SER 48 8.390 7.509 -1.637 345 2HB SER 48 1HB SER 48 7.769 8.685 -2.793 346 HG SER 48 HG SER 48 8.767 9.994 -1.437 347 H SER 49 H SER 49 5.048 5.951 -2.434 348 HA SER 49 HA SER 49 5.947 4.096 -0.353 349 1HB SER 49 2HB SER 49 4.159 2.689 -1.885 350 2HB SER 49 1HB SER 49 3.766 3.566 -0.408 351 HG SER 49 HG SER 49 2.700 3.987 -2.700 352 H TYR 50 H TYR 50 7.698 3.048 -0.838 353 HA TYR 50 HA TYR 50 8.644 2.857 -3.549 354 1HB TYR 50 2HB TYR 50 9.752 2.020 -0.882 355 2HB TYR 50 1HB TYR 50 10.539 1.554 -2.384 356 HD1 TYR 50 1HD TYR 50 11.078 3.578 0.143 357 HD2 TYR 50 2HD TYR 50 10.343 3.978 -4.041 358 HE1 TYR 50 1HE TYR 50 12.293 5.704 0.132 359 HE2 TYR 50 2HE TYR 50 11.576 6.099 -4.046 360 HH TYR 50 HH TYR 50 13.630 7.040 -2.167 361 H THR 51 H THR 51 9.438 0.828 -4.468 362 HA THR 51 HA THR 51 7.913 -1.529 -3.575 363 HB THR 51 HB THR 51 8.353 -1.257 -6.489 364 HG1 THR 51 1HG THR 51 6.968 0.612 -5.019 365 1HG2 THR 51 1HG2 THR 51 6.781 -2.845 -6.553 366 2HG2 THR 51 2HG2 THR 51 5.682 -1.894 -5.554 367 3HG2 THR 51 3HG2 THR 51 6.904 -2.914 -4.796 368 H LYS 52 H LYS 52 9.443 -2.877 -2.881 369 HA LYS 52 HA LYS 52 11.520 -3.737 -4.722 370 1HB LYS 52 2HB LYS 52 12.051 -2.067 -2.358 371 2HB LYS 52 1HB LYS 52 13.004 -3.541 -2.421 372 1HG LYS 52 2HG LYS 52 12.894 -1.360 -4.485 373 2HG LYS 52 1HG LYS 52 14.248 -1.771 -3.431 374 1HD LYS 52 2HD LYS 52 14.426 -3.948 -4.524 375 2HD LYS 52 1HD LYS 52 13.079 -3.523 -5.580 376 1HE LYS 52 2HE LYS 52 14.898 -1.408 -5.777 377 2HE LYS 52 1HE LYS 52 15.871 -2.878 -5.831 378 1HZ LYS 52 1HZ LYS 52 14.687 -1.820 -7.964 379 2HZ LYS 52 2HZ LYS 52 13.468 -2.889 -7.466 380 3HZ LYS 52 3HZ LYS 52 15.019 -3.476 -7.811 381 H SER 53 H SER 53 11.556 -5.897 -4.642 382 HA SER 53 HA SER 53 11.353 -8.050 -3.907 383 1HB SER 53 2HB SER 53 11.352 -6.937 -1.090 384 2HB SER 53 1HB SER 53 11.725 -8.591 -1.583 385 HG SER 53 HG SER 53 13.420 -7.292 -2.943 386 H GLY 54 H GLY 54 9.055 -6.006 -4.102 387 1HA GLY 54 1HA GLY 54 6.743 -6.191 -3.996 388 2HA GLY 54 2HA GLY 54 6.931 -7.774 -3.248 389 H MET 55 H MET 55 8.808 -5.378 -1.828 390 HA MET 55 HA MET 55 6.987 -5.239 0.471 391 1HB MET 55 2HB MET 55 9.760 -5.833 0.210 392 2HB MET 55 1HB MET 55 9.626 -4.311 1.076 393 1HG MET 55 2HG MET 55 9.031 -5.341 2.933 394 2HG MET 55 1HG MET 55 7.749 -6.226 2.105 395 1HE MET 55 1HE MET 55 11.669 -6.186 2.786 396 2HE MET 55 2HE MET 55 12.120 -7.704 2.010 397 3HE MET 55 3HE MET 55 11.482 -6.376 1.043 398 H ILE 56 H ILE 56 6.955 -3.254 1.681 399 HA ILE 56 HA ILE 56 7.527 -0.874 0.035 400 HB ILE 56 HB ILE 56 5.383 -1.020 2.155 401 1HG1 ILE 56 2HG1 ILE 56 5.359 -1.918 -0.657 402 1HG2 ILE 56 1HG2 ILE 56 5.996 0.987 -0.012 403 2HG2 ILE 56 2HG2 ILE 56 4.561 1.024 1.013 404 3HG2 ILE 56 3HG2 ILE 56 6.162 1.215 1.729 405 1HD1 ILE 56 1HD1 ILE 56 3.591 -0.881 -1.492 406 2HD1 ILE 56 2HD1 ILE 56 2.712 -0.976 0.034 407 3HD1 ILE 56 3HD1 ILE 56 3.847 0.341 -0.249 408 H LEU 57 H LEU 57 8.973 0.475 0.863 409 HA LEU 57 HA LEU 57 9.534 0.377 3.751 410 1HB LEU 57 2HB LEU 57 11.650 0.640 1.621 411 2HB LEU 57 1HB LEU 57 11.887 0.365 3.334 412 HG LEU 57 HG LEU 57 10.339 -1.797 2.386 413 1HD1 LEU 57 1HD1 LEU 57 12.662 -1.122 0.592 414 2HD1 LEU 57 2HD1 LEU 57 11.899 -2.711 0.673 415 3HD1 LEU 57 3HD1 LEU 57 10.969 -1.313 0.131 416 1HD2 LEU 57 1HD2 LEU 57 12.111 -1.646 4.210 417 2HD2 LEU 57 2HD2 LEU 57 12.108 -3.103 3.220 418 3HD2 LEU 57 3HD2 LEU 57 13.296 -1.837 2.920 419 H CYS 58 H CYS 58 10.952 2.252 4.419 420 HA CYS 58 HA CYS 58 9.873 4.722 3.371 421 1HB CYS 58 2HB CYS 58 11.112 5.790 5.186 422 2HB CYS 58 1HB CYS 58 10.190 4.425 5.808 423 H ARG 59 H ARG 59 11.900 6.501 3.432 424 HA ARG 59 HA ARG 59 13.399 5.851 1.075 425 1HB ARG 59 2HB ARG 59 14.455 8.107 2.576 426 2HB ARG 59 1HB ARG 59 13.839 8.046 0.933 427 1HG ARG 59 2HG ARG 59 11.855 7.951 3.122 428 2HG ARG 59 1HG ARG 59 12.699 9.477 2.853 429 1HD ARG 59 2HD ARG 59 11.921 9.627 0.626 430 2HD ARG 59 1HD ARG 59 11.369 7.949 0.633 431 HE ARG 59 HE ARG 59 10.067 10.231 1.944 432 1HH1 ARG 59 2HH1 ARG 59 10.033 6.861 1.020 433 2HH1 ARG 59 1HH1 ARG 59 8.377 6.613 1.458 434 1HH2 ARG 59 2HH2 ARG 59 7.912 9.913 2.601 435 2HH2 ARG 59 1HH2 ARG 59 7.162 8.362 2.388 436 H ASN 60 H ASN 60 14.239 6.424 4.474 437 HA ASN 60 HA ASN 60 16.964 5.879 4.314 438 1HB ASN 60 2HB ASN 60 16.004 6.833 6.316 439 2HB ASN 60 1HB ASN 60 15.026 5.394 6.586 440 1HD2 ASN 60 1HD2 ASN 60 15.763 4.465 8.351 441 2HD2 ASN 60 2HD2 ASN 60 17.429 4.106 8.693 442 H ASP 61 H ASP 61 14.287 3.638 5.044 443 HA ASP 61 HA ASP 61 15.893 1.337 5.294 444 1HB ASP 61 2HB ASP 61 13.030 1.918 5.080 445 2HB ASP 61 1HB ASP 61 13.490 0.360 4.396 446 H TYR 62 H TYR 62 14.280 2.758 2.490 447 HA TYR 62 HA TYR 62 14.681 0.697 0.671 448 1HB TYR 62 2HB TYR 62 13.305 2.732 0.266 449 2HB TYR 62 1HB TYR 62 14.789 3.659 0.073 450 HD1 TYR 62 1HD TYR 62 13.156 0.584 -1.282 451 HD2 TYR 62 2HD TYR 62 15.592 3.981 -2.057 452 HE1 TYR 62 1HE TYR 62 13.231 -0.025 -3.668 453 HE2 TYR 62 2HE TYR 62 15.673 3.392 -4.443 454 HH TYR 62 HH TYR 62 15.370 0.946 -5.739 455 H ILE 63 H ILE 63 16.797 3.473 1.374 456 HA ILE 63 HA ILE 63 18.805 2.647 -0.462 457 HB ILE 63 HB ILE 63 19.556 4.378 1.840 458 1HG1 ILE 63 2HG1 ILE 63 17.259 5.114 1.227 459 1HG2 ILE 63 1HG2 ILE 63 20.175 4.234 -1.088 460 2HG2 ILE 63 2HG2 ILE 63 20.568 5.666 -0.137 461 3HG2 ILE 63 3HG2 ILE 63 21.271 4.107 0.289 462 1HD1 ILE 63 1HD1 ILE 63 16.584 5.826 -0.815 463 2HD1 ILE 63 2HD1 ILE 63 18.220 6.223 -1.344 464 3HD1 ILE 63 3HD1 ILE 63 17.686 4.542 -1.312 465 H ARG 64 H ARG 64 18.317 2.163 2.994 466 HA ARG 64 HA ARG 64 20.896 1.068 3.484 467 1HB ARG 64 2HB ARG 64 18.317 0.896 5.042 468 2HB ARG 64 1HB ARG 64 19.849 0.255 5.622 469 1HG ARG 64 2HG ARG 64 20.287 2.937 4.823 470 2HG ARG 64 1HG ARG 64 18.828 2.899 5.817 471 1HD ARG 64 2HD ARG 64 20.820 3.259 7.181 472 2HD ARG 64 1HD ARG 64 20.049 1.721 7.572 473 HE ARG 64 HE ARG 64 21.871 0.592 6.718 474 1HH1 ARG 64 2HH1 ARG 64 22.173 4.038 6.116 475 2HH1 ARG 64 1HH1 ARG 64 23.815 3.921 5.558 476 1HH2 ARG 64 2HH2 ARG 64 24.038 0.445 5.962 477 2HH2 ARG 64 1HH2 ARG 64 24.857 1.893 5.432 478 H LEU 65 H LEU 65 17.713 -0.401 2.934 479 HA LEU 65 HA LEU 65 18.574 -3.054 3.351 480 1HB LEU 65 2HB LEU 65 16.147 -1.736 2.852 481 2HB LEU 65 1HB LEU 65 16.320 -2.899 1.554 482 HG LEU 65 HG LEU 65 15.033 -3.865 3.356 483 1HD1 LEU 65 1HD1 LEU 65 16.700 -5.758 3.998 484 2HD1 LEU 65 2HD1 LEU 65 16.186 -5.561 2.322 485 3HD1 LEU 65 3HD1 LEU 65 17.760 -4.955 2.838 486 1HD2 LEU 65 1HD2 LEU 65 15.652 -2.689 5.274 487 2HD2 LEU 65 2HD2 LEU 65 16.276 -4.314 5.545 488 3HD2 LEU 65 3HD2 LEU 65 17.368 -3.024 5.040 489 H PHE 66 H PHE 66 17.751 -1.406 0.283 490 HA PHE 66 HA PHE 66 19.311 -3.503 -1.077 491 1HB PHE 66 2HB PHE 66 17.061 -1.898 -2.288 492 2HB PHE 66 1HB PHE 66 17.806 -3.359 -2.928 493 HD1 PHE 66 1HD PHE 66 15.170 -2.028 -0.952 494 HD2 PHE 66 2HD PHE 66 17.555 -5.500 -1.556 495 HE1 PHE 66 1HE PHE 66 13.474 -3.390 0.201 496 HE2 PHE 66 2HE PHE 66 15.864 -6.866 -0.407 497 HZ PHE 66 HZ PHE 66 13.824 -5.810 0.478 498 H GLY 67 H GLY 67 18.500 -0.056 -1.140 499 1HA GLY 67 1HA GLY 67 19.871 1.709 -1.787 500 2HA GLY 67 2HA GLY 67 21.098 0.549 -2.272 501 H ASN 68 H ASN 68 19.825 -0.984 -4.089 502 HA ASN 68 HA ASN 68 20.061 0.377 -6.456 503 1HB ASN 68 2HB ASN 68 19.960 -2.120 -6.149 504 2HB ASN 68 1HB ASN 68 18.210 -1.975 -6.045 505 1HD2 ASN 68 1HD2 ASN 68 20.832 -2.379 -8.077 506 2HD2 ASN 68 2HD2 ASN 68 20.021 -2.144 -9.593 507 H SER 69 H SER 69 19.020 2.176 -6.946 508 HA SER 69 HA SER 69 16.104 2.288 -6.569 509 1HB SER 69 2HB SER 69 17.190 4.862 -7.149 510 2HB SER 69 1HB SER 69 16.471 4.300 -5.642 511 HG SER 69 HG SER 69 18.620 3.372 -5.190 512 H GLY 70 H GLY 70 15.219 4.089 -8.245 513 1HA GLY 70 1HA GLY 70 15.805 2.967 -10.886 514 2HA GLY 70 2HA GLY 70 14.485 4.056 -10.479 515 H ALA 71 H ALA 71 16.656 5.620 -8.961 516 HA ALA 71 HA ALA 71 17.910 7.486 -9.284 517 1HB ALA 71 1HB ALA 71 18.742 6.356 -11.943 518 2HB ALA 71 2HB ALA 71 19.648 7.425 -10.870 519 3HB ALA 71 3HB ALA 71 19.375 5.743 -10.414 520 H GLY 72 H GLY 72 15.277 7.775 -9.861 521 1HA GLY 72 1HA GLY 72 15.347 9.561 -12.212 522 2HA GLY 72 2HA GLY 72 13.964 8.542 -11.847 523 H GLY 73 H GLY 73 13.583 8.880 -9.185 524 1HA GLY 73 1HA GLY 73 12.609 10.326 -7.676 525 2HA GLY 73 2HA GLY 73 13.613 11.607 -8.345 526 H SER 74 H SER 74 12.146 13.215 -8.602 527 HA SER 74 HA SER 74 10.371 12.932 -10.846 528 1HB SER 74 2HB SER 74 9.202 13.602 -8.135 529 2HB SER 74 1HB SER 74 8.343 13.735 -9.668 530 HG SER 74 HG SER 74 9.468 11.295 -9.419 531 H GLY 75 H GLY 75 11.965 14.814 -8.426 532 1HA GLY 75 1HA GLY 75 13.019 16.884 -9.310 533 2HA GLY 75 2HA GLY 75 11.453 17.252 -10.021 534 H GLY 76 H GLY 76 11.855 15.830 -6.861 535 1HA GLY 76 1HA GLY 76 10.245 17.868 -5.652 536 2HA GLY 76 2HA GLY 76 11.022 16.524 -4.828 537 H HIS 77 H HIS 77 10.788 19.481 -4.273 538 HA HIS 77 HA HIS 77 13.647 20.164 -4.206 539 1HB HIS 77 2HB HIS 77 11.151 21.839 -3.958 540 2HB HIS 77 1HB HIS 77 12.753 22.466 -3.582 541 HD1 HIS 77 1HD HIS 77 10.572 23.019 -6.065 542 HD2 HIS 77 2HD HIS 77 14.388 21.373 -6.166 543 HE1 HIS 77 1HE HIS 77 11.396 23.350 -8.423 544 HE2 HIS 77 2HE HIS 77 13.792 22.560 -8.386 545 H MET 78 H MET 78 11.470 18.646 -2.350 546 HA MET 78 HA MET 78 13.002 19.088 0.047 547 1HB MET 78 2HB MET 78 10.657 20.617 -0.308 548 2HB MET 78 1HB MET 78 10.237 19.344 0.828 549 1HG MET 78 2HG MET 78 12.430 20.039 2.025 550 2HG MET 78 1HG MET 78 12.254 21.527 1.098 551 1HE MET 78 1HE MET 78 11.483 21.850 4.874 552 2HE MET 78 2HE MET 78 12.680 21.974 3.583 553 3HE MET 78 3HE MET 78 11.473 23.242 3.791 554 H GLY 79 H GLY 79 13.001 16.858 -1.314 555 1HA GLY 79 1HA GLY 79 10.847 15.081 -0.667 556 2HA GLY 79 2HA GLY 79 12.354 14.652 -1.459 557 H SER 80 H SER 80 13.925 13.669 -0.315 558 HA SER 80 HA SER 80 13.246 12.674 2.276 559 1HB SER 80 2HB SER 80 15.947 12.081 1.711 560 2HB SER 80 1HB SER 80 14.548 11.024 1.499 561 HG SER 80 HG SER 80 15.527 11.189 -0.481 562 H GLY 81 H GLY 81 15.658 14.940 0.999 563 1HA GLY 81 1HA GLY 81 15.694 16.610 3.211 564 2HA GLY 81 2HA GLY 81 16.947 15.409 3.498 565 H GLY 82 H GLY 82 15.856 17.950 1.336 566 1HA GLY 82 1HA GLY 82 17.822 19.485 0.771 567 2HA GLY 82 2HA GLY 82 18.542 18.020 0.118 568 H ASP 83 H ASP 83 18.531 19.571 -1.819 569 HA ASP 83 HA ASP 83 15.933 19.699 -3.140 570 1HB ASP 83 2HB ASP 83 17.858 21.540 -3.066 571 2HB ASP 83 1HB ASP 83 18.403 20.662 -4.494 572 H VAL 84 H VAL 84 16.066 19.290 -5.612 573 HA VAL 84 HA VAL 84 16.583 16.506 -5.919 574 HB VAL 84 HB VAL 84 14.697 17.288 -7.087 575 1HG1 VAL 84 1HG1 VAL 84 15.981 19.197 -8.902 576 2HG1 VAL 84 2HG1 VAL 84 14.444 19.300 -8.043 577 3HG1 VAL 84 3HG1 VAL 84 15.948 19.699 -7.212 578 1HG2 VAL 84 1HG2 VAL 84 15.302 17.010 -9.543 579 2HG2 VAL 84 2HG2 VAL 84 16.967 16.812 -8.996 580 3HG2 VAL 84 3HG2 VAL 84 15.722 15.682 -8.460 581 H MET 85 H MET 85 18.516 15.673 -6.216 582 HA MET 85 HA MET 85 20.673 15.351 -6.841 583 1HB MET 85 2HB MET 85 19.347 16.463 -9.208 584 2HB MET 85 1HB MET 85 21.088 16.702 -9.204 585 1HG MET 85 2HG MET 85 20.834 14.075 -8.450 586 2HG MET 85 1HG MET 85 19.529 14.279 -9.613 587 1HE MET 85 1HE MET 85 24.013 14.512 -10.252 588 2HE MET 85 2HE MET 85 23.304 16.096 -9.935 589 3HE MET 85 3HE MET 85 23.108 14.793 -8.763 590 H VAL 86 H VAL 86 20.589 17.102 -4.948 591 HA VAL 86 HA VAL 86 21.574 19.695 -5.512 592 HB VAL 86 HB VAL 86 20.462 19.464 -3.453 593 1HG1 VAL 86 1HG1 VAL 86 20.838 16.972 -3.332 594 2HG1 VAL 86 2HG1 VAL 86 22.379 17.330 -2.548 595 3HG1 VAL 86 3HG1 VAL 86 20.865 17.832 -1.792 596 1HG2 VAL 86 1HG2 VAL 86 22.553 19.652 -1.758 597 2HG2 VAL 86 2HG2 VAL 86 23.359 19.961 -3.296 598 3HG2 VAL 86 3HG2 VAL 86 22.001 20.968 -2.792 599 H VAL 87 H VAL 87 23.110 16.610 -4.934 600 HA VAL 87 HA VAL 87 25.762 17.854 -4.907 601 HB VAL 87 HB VAL 87 25.063 14.923 -4.656 602 1HG1 VAL 87 1HG1 VAL 87 27.622 16.391 -4.015 603 2HG1 VAL 87 2HG1 VAL 87 27.334 14.661 -3.832 604 3HG1 VAL 87 3HG1 VAL 87 27.354 15.386 -5.439 605 1HG2 VAL 87 1HG2 VAL 87 25.133 17.113 -2.676 606 2HG2 VAL 87 2HG2 VAL 87 24.212 15.611 -2.674 607 3HG2 VAL 87 3HG2 VAL 87 25.910 15.606 -2.200 608 H GLY 88 H GLY 88 25.650 18.616 -7.072 609 1HA GLY 88 1HA GLY 88 26.982 17.527 -9.054 610 2HA GLY 88 2HA GLY 88 25.506 16.577 -9.169 611 H GLU 89 H GLU 89 25.440 17.519 -11.341 612 HA GLU 89 HA GLU 89 24.846 20.332 -11.587 613 1HB GLU 89 2HB GLU 89 24.804 18.019 -13.520 614 2HB GLU 89 1HB GLU 89 24.273 19.632 -13.977 615 1HG GLU 89 2HG GLU 89 27.011 18.934 -12.933 616 2HG GLU 89 1HG GLU 89 26.594 19.175 -14.628 617 HA PRO 90 HA PRO 90 20.572 20.183 -10.591 618 1HB PRO 90 2HB PRO 90 19.714 22.245 -12.220 619 2HB PRO 90 1HB PRO 90 20.444 22.450 -10.626 620 1HG PRO 90 2HG PRO 90 21.693 22.677 -13.329 621 2HG PRO 90 1HG PRO 90 21.958 23.666 -11.881 622 1HD PRO 90 2HD PRO 90 23.708 21.780 -12.635 623 2HD PRO 90 1HD PRO 90 23.373 22.102 -10.921 624 H THR 91 H THR 91 20.140 18.159 -11.547 625 HA THR 91 HA THR 91 18.518 18.356 -13.976 626 HB THR 91 HB THR 91 20.017 15.834 -13.771 627 HG1 THR 91 1HG THR 91 21.592 17.531 -13.152 628 1HG2 THR 91 1HG2 THR 91 20.225 17.435 -16.211 629 2HG2 THR 91 2HG2 THR 91 18.565 17.164 -15.686 630 3HG2 THR 91 3HG2 THR 91 19.627 15.790 -15.982 631 H LEU 92 H LEU 92 16.618 17.285 -13.771 632 HA LEU 92 HA LEU 92 15.845 16.281 -11.254 633 1HB LEU 92 2HB LEU 92 14.625 16.632 -13.896 634 2HB LEU 92 1HB LEU 92 13.976 15.273 -13.000 635 HG LEU 92 HG LEU 92 13.290 16.695 -11.191 636 1HD1 LEU 92 1HD1 LEU 92 13.873 18.893 -10.883 637 2HD1 LEU 92 2HD1 LEU 92 15.350 18.253 -11.605 638 3HD1 LEU 92 3HD1 LEU 92 14.206 19.161 -12.595 639 1HD2 LEU 92 1HD2 LEU 92 11.456 17.069 -12.373 640 2HD2 LEU 92 2HD2 LEU 92 12.195 18.540 -13.005 641 3HD2 LEU 92 3HD2 LEU 92 12.373 17.017 -13.879 642 H MET 93 H MET 93 16.449 14.630 -14.331 643 HA MET 93 HA MET 93 17.110 12.206 -12.802 644 1HB MET 93 2HB MET 93 14.923 11.935 -13.976 645 2HB MET 93 1HB MET 93 15.740 12.250 -15.501 646 1HG MET 93 2HG MET 93 17.257 10.241 -14.541 647 2HG MET 93 1HG MET 93 15.694 9.829 -13.838 648 1HE MET 93 1HE MET 93 18.023 9.363 -16.232 649 2HE MET 93 2HE MET 93 17.223 8.367 -17.449 650 3HE MET 93 3HE MET 93 17.445 10.094 -17.731 651 H GLY 94 H GLY 94 19.300 12.695 -12.879 652 1HA GLY 94 1HA GLY 94 20.515 12.519 -15.558 653 2HA GLY 94 2HA GLY 94 20.945 13.843 -14.485 654 H GLY 95 H GLY 95 20.604 10.301 -14.178 655 1HA GLY 95 1HA GLY 95 22.445 8.829 -13.840 656 2HA GLY 95 2HA GLY 95 23.401 10.195 -13.282 657 H GLU 96 H GLU 96 21.995 11.319 -11.353 658 HA GLU 96 HA GLU 96 21.746 9.190 -9.346 659 1HB GLU 96 2HB GLU 96 23.273 11.372 -9.182 660 2HB GLU 96 1HB GLU 96 21.771 12.080 -8.608 661 1HG GLU 96 2HG GLU 96 23.131 11.352 -6.750 662 2HG GLU 96 1HG GLU 96 21.652 10.396 -6.842 663 H PHE 97 H PHE 97 19.918 9.168 -7.949 664 HA PHE 97 HA PHE 97 17.490 10.065 -9.176 665 1HB PHE 97 2HB PHE 97 16.345 9.117 -7.202 666 2HB PHE 97 1HB PHE 97 17.427 7.971 -7.967 667 HD1 PHE 97 1HD PHE 97 19.913 9.463 -6.500 668 HD2 PHE 97 2HD PHE 97 16.268 7.641 -5.272 669 HE1 PHE 97 1HE PHE 97 20.907 8.950 -4.315 670 HE2 PHE 97 2HE PHE 97 17.257 7.138 -3.080 671 HZ PHE 97 HZ PHE 97 19.577 7.793 -2.596 672 H GLY 98 H GLY 98 16.752 12.018 -9.097 673 1HA GLY 98 1HA GLY 98 18.006 14.115 -7.935 674 2HA GLY 98 2HA GLY 98 16.321 14.170 -8.423 675 H ASP 99 H ASP 99 14.776 13.224 -6.776 676 HA ASP 99 HA ASP 99 15.508 14.307 -4.156 677 1HB ASP 99 2HB ASP 99 12.947 14.051 -3.790 678 2HB ASP 99 1HB ASP 99 13.526 15.345 -4.837 679 H GLU 100 H GLU 100 12.895 12.066 -4.508 680 HA GLU 100 HA GLU 100 14.398 10.078 -2.946 681 1HB GLU 100 2HB GLU 100 11.422 10.045 -3.413 682 2HB GLU 100 1HB GLU 100 12.338 9.221 -2.159 683 1HG GLU 100 2HG GLU 100 12.376 11.022 -0.813 684 2HG GLU 100 1HG GLU 100 12.512 12.159 -2.156 685 H ASP 101 H ASP 101 11.559 9.129 -4.647 686 HA ASP 101 HA ASP 101 12.610 8.626 -7.171 687 1HB ASP 101 2HB ASP 101 13.670 6.797 -5.381 688 2HB ASP 101 1HB ASP 101 12.322 5.919 -6.105 689 H GLU 102 H GLU 102 10.531 7.072 -4.748 690 HA GLU 102 HA GLU 102 8.576 6.503 -6.785 691 1HB GLU 102 2HB GLU 102 9.207 5.455 -4.192 692 2HB GLU 102 1HB GLU 102 7.489 5.820 -4.304 693 1HG GLU 102 2HG GLU 102 9.124 3.899 -5.893 694 2HG GLU 102 1HG GLU 102 7.599 3.641 -5.044 695 H ARG 103 H ARG 103 6.259 6.905 -6.325 696 HA ARG 103 HA ARG 103 5.512 9.063 -4.593 697 1HB ARG 103 2HB ARG 103 6.593 10.095 -6.747 698 2HB ARG 103 1HB ARG 103 5.064 9.660 -7.498 699 1HG ARG 103 2HG ARG 103 4.176 11.533 -6.728 700 2HG ARG 103 1HG ARG 103 4.449 10.973 -5.079 701 1HD ARG 103 2HD ARG 103 6.110 12.787 -6.769 702 2HD ARG 103 1HD ARG 103 5.589 12.979 -5.095 703 HE ARG 103 HE ARG 103 7.223 10.860 -4.933 704 1HH1 ARG 103 2HH1 ARG 103 7.625 14.014 -6.409 705 2HH1 ARG 103 1HH1 ARG 103 9.345 14.029 -6.169 706 1HH2 ARG 103 2HH2 ARG 103 9.457 10.899 -4.599 707 2HH2 ARG 103 1HH2 ARG 103 10.401 12.249 -5.170 708 H LEU 104 H LEU 104 4.832 6.252 -5.444 709 HA LEU 104 HA LEU 104 2.265 6.428 -6.702 710 1HB LEU 104 2HB LEU 104 4.020 4.277 -5.681 711 2HB LEU 104 1HB LEU 104 2.305 3.918 -5.728 712 HG LEU 104 HG LEU 104 3.831 4.911 -8.132 713 1HD1 LEU 104 1HD1 LEU 104 3.056 2.054 -7.764 714 2HD1 LEU 104 2HD1 LEU 104 4.307 2.761 -8.790 715 3HD1 LEU 104 3HD1 LEU 104 4.555 2.648 -7.046 716 1HD2 LEU 104 1HD2 LEU 104 1.124 3.660 -7.727 717 2HD2 LEU 104 2HD2 LEU 104 1.493 5.262 -8.364 718 3HD2 LEU 104 3HD2 LEU 104 1.894 3.825 -9.304 719 H ILE 105 H ILE 105 2.235 8.028 -4.430 720 HA ILE 105 HA ILE 105 0.504 6.523 -2.591 721 HB ILE 105 HB ILE 105 2.059 9.072 -2.156 722 1HG1 ILE 105 2HG1 ILE 105 2.244 6.248 -1.243 723 1HG2 ILE 105 1HG2 ILE 105 1.027 8.955 0.179 724 2HG2 ILE 105 2HG2 ILE 105 0.005 9.554 -1.127 725 3HG2 ILE 105 3HG2 ILE 105 -0.191 7.901 -0.543 726 1HD1 ILE 105 1HD1 ILE 105 3.529 8.287 0.496 727 2HD1 ILE 105 2HD1 ILE 105 1.874 7.778 0.832 728 3HD1 ILE 105 3HD1 ILE 105 3.177 6.588 0.812 729 H THR 106 H THR 106 -1.505 6.668 -3.240 730 HA THR 106 HA THR 106 -2.562 9.243 -4.190 731 HB THR 106 HB THR 106 -4.290 6.837 -4.140 732 HG1 THR 106 1HG THR 106 -2.481 5.832 -4.935 733 1HG2 THR 106 1HG2 THR 106 -3.885 8.452 -6.579 734 2HG2 THR 106 2HG2 THR 106 -4.579 9.286 -5.189 735 3HG2 THR 106 3HG2 THR 106 -5.375 7.853 -5.844 736 H ARG 107 H ARG 107 -2.975 10.391 -2.351 737 HA ARG 107 HA ARG 107 -4.555 9.017 -0.272 738 1HB ARG 107 2HB ARG 107 -2.011 9.885 0.029 739 2HB ARG 107 1HB ARG 107 -2.894 11.319 0.534 740 1HG ARG 107 2HG ARG 107 -3.353 8.569 1.665 741 2HG ARG 107 1HG ARG 107 -2.280 9.770 2.379 742 1HD ARG 107 2HD ARG 107 -4.184 11.309 2.625 743 2HD ARG 107 1HD ARG 107 -5.256 10.081 1.944 744 HE ARG 107 HE ARG 107 -4.803 8.714 3.879 745 1HH1 ARG 107 2HH1 ARG 107 -3.864 12.087 4.111 746 2HH1 ARG 107 1HH1 ARG 107 -3.733 12.056 5.850 747 1HH2 ARG 107 2HH2 ARG 107 -4.578 8.661 6.131 748 2HH2 ARG 107 1HH2 ARG 107 -4.130 10.103 7.002 749 H LEU 108 H LEU 108 -6.544 9.736 -0.386 750 HA LEU 108 HA LEU 108 -6.928 12.507 0.288 751 1HB LEU 108 2HB LEU 108 -7.830 11.382 -2.291 752 2HB LEU 108 1HB LEU 108 -9.059 12.249 -1.391 753 HG LEU 108 HG LEU 108 -6.811 13.916 -1.339 754 1HD1 LEU 108 1HD1 LEU 108 -7.110 12.473 -3.936 755 2HD1 LEU 108 2HD1 LEU 108 -6.588 14.159 -3.905 756 3HD1 LEU 108 3HD1 LEU 108 -5.643 12.929 -3.068 757 1HD2 LEU 108 1HD2 LEU 108 -9.528 13.881 -2.416 758 2HD2 LEU 108 2HD2 LEU 108 -8.667 15.149 -1.544 759 3HD2 LEU 108 3HD2 LEU 108 -8.424 14.953 -3.279 760 H GLU 109 H GLU 109 -7.648 11.899 2.279 761 HA GLU 109 HA GLU 109 -10.298 10.713 2.336 762 1HB GLU 109 2HB GLU 109 -8.256 9.034 2.866 763 2HB GLU 109 1HB GLU 109 -8.589 9.671 4.470 764 1HG GLU 109 2HG GLU 109 -9.868 7.557 3.248 765 2HG GLU 109 1HG GLU 109 -10.392 8.406 4.693 766 H ASN 110 H ASN 110 -11.518 11.903 3.448 767 HA ASN 110 HA ASN 110 -11.283 12.721 6.030 768 1HB ASN 110 2HB ASN 110 -9.441 14.251 5.063 769 2HB ASN 110 1HB ASN 110 -10.750 15.133 4.283 770 1HD2 ASN 110 1HD2 ASN 110 -12.363 16.115 5.648 771 2HD2 ASN 110 2HD2 ASN 110 -11.947 16.601 7.259 772 H THR 111 H THR 111 -12.118 14.278 2.995 773 HA THR 111 HA THR 111 -14.946 13.801 3.453 774 HB THR 111 HB THR 111 -14.807 16.455 2.476 775 HG1 THR 111 1HG THR 111 -13.753 17.411 4.392 776 1HG2 THR 111 1HG2 THR 111 -15.698 16.775 4.993 777 2HG2 THR 111 2HG2 THR 111 -15.875 15.027 4.838 778 3HG2 THR 111 3HG2 THR 111 -16.687 16.101 3.699 779 H GLN 112 H GLN 112 -13.105 12.636 1.698 780 HA GLN 112 HA GLN 112 -13.082 13.831 -0.875 781 1HB GLN 112 2HB GLN 112 -12.210 11.708 -1.659 782 2HB GLN 112 1HB GLN 112 -11.444 12.095 -0.121 783 1HG GLN 112 2HG GLN 112 -12.323 10.313 0.906 784 2HG GLN 112 1HG GLN 112 -13.879 10.478 0.096 785 1HE2 GLN 112 1HE2 GLN 112 -10.541 9.813 -0.902 786 2HE2 GLN 112 2HE2 GLN 112 -10.922 8.409 -1.847 787 H PHE 113 H PHE 113 -14.080 12.616 -2.817 788 HA PHE 113 HA PHE 113 -16.897 12.646 -2.487 789 1HB PHE 113 2HB PHE 113 -17.068 12.300 -4.795 790 2HB PHE 113 1HB PHE 113 -15.532 13.135 -4.626 791 HD1 PHE 113 1HD PHE 113 -17.205 10.305 -5.955 792 HD2 PHE 113 2HD PHE 113 -13.408 11.673 -4.606 793 HE1 PHE 113 1HE PHE 113 -16.111 8.512 -7.235 794 HE2 PHE 113 2HE PHE 113 -12.308 9.881 -5.882 795 HZ PHE 113 HZ PHE 113 -13.658 8.300 -7.203 796 H ASP 114 H ASP 114 -18.054 11.193 -1.521 797 HA ASP 114 HA ASP 114 -18.817 9.232 -0.648 798 1HB ASP 114 2HB ASP 114 -18.386 8.514 -3.190 799 2HB ASP 114 1HB ASP 114 -17.157 7.513 -2.425 800 H ALA 115 H ALA 115 -17.019 10.401 0.780 801 HA ALA 115 HA ALA 115 -14.572 9.067 1.211 802 1HB ALA 115 1HB ALA 115 -16.000 10.716 3.280 803 2HB ALA 115 2HB ALA 115 -14.264 10.495 3.060 804 3HB ALA 115 3HB ALA 115 -15.189 11.436 1.890 805 H ALA 116 H ALA 116 -13.910 7.911 3.098 806 HA ALA 116 HA ALA 116 -15.935 6.017 4.000 807 1HB ALA 116 1HB ALA 116 -14.174 4.665 4.756 808 2HB ALA 116 2HB ALA 116 -13.576 5.364 3.252 809 3HB ALA 116 3HB ALA 116 -13.040 6.016 4.801 810 H ASN 117 H ASN 117 -16.672 5.914 6.077 811 HA ASN 117 HA ASN 117 -15.719 8.032 7.891 812 1HB ASN 117 2HB ASN 117 -18.026 8.406 6.923 813 2HB ASN 117 1HB ASN 117 -18.547 6.964 7.790 814 1HD2 ASN 117 1HD2 ASN 117 -20.040 8.609 8.711 815 2HD2 ASN 117 2HD2 ASN 117 -19.510 9.474 10.114 816 H GLY 118 H GLY 118 -15.215 7.466 9.919 817 1HA GLY 118 1HA GLY 118 -14.817 4.737 10.553 818 2HA GLY 118 2HA GLY 118 -14.650 6.089 11.664 819 H ILE 119 H ILE 119 -17.120 7.127 11.811 820 HA ILE 119 HA ILE 119 -19.026 4.998 12.253 821 HB ILE 119 HB ILE 119 -17.926 4.940 14.381 822 1HG1 ILE 119 2HG1 ILE 119 -20.120 6.533 15.405 823 1HG2 ILE 119 1HG2 ILE 119 -18.154 7.211 15.752 824 2HG2 ILE 119 2HG2 ILE 119 -16.736 6.822 14.781 825 3HG2 ILE 119 3HG2 ILE 119 -17.980 7.888 14.132 826 1HD1 ILE 119 1HD1 ILE 119 -19.395 4.649 16.639 827 2HD1 ILE 119 2HD1 ILE 119 -21.011 4.289 16.029 828 3HD1 ILE 119 3HD1 ILE 119 -19.594 3.583 15.249 829 H ASP 120 H ASP 120 -20.993 5.637 11.756 830 HA ASP 120 HA ASP 120 -21.517 8.489 11.334 831 1HB ASP 120 2HB ASP 120 -22.162 6.853 9.557 832 2HB ASP 120 1HB ASP 120 -23.278 6.105 10.695 833 H ASP 121 H ASP 121 -21.391 8.856 13.617 834 HA ASP 121 HA ASP 121 -23.109 7.485 15.413 835 1HB ASP 121 2HB ASP 121 -20.802 8.797 15.739 836 2HB ASP 121 1HB ASP 121 -21.908 10.080 16.217 837 H GLU 122 H GLU 122 -25.117 7.941 14.238 838 HA GLU 122 HA GLU 122 -26.230 10.604 14.710 839 1HB GLU 122 2HB GLU 122 -27.164 8.203 13.148 840 2HB GLU 122 1HB GLU 122 -28.265 9.515 13.543 841 1HG GLU 122 2HG GLU 122 -25.724 9.743 11.946 842 2HG GLU 122 1HG GLU 122 -27.367 9.773 11.309 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -7.613 -1.050 -12.048 2 2H GLY 1 2H GLY 1 -8.933 -1.234 -13.097 3 3H GLY 1 3H GLY 1 -8.441 -2.527 -12.115 4 1HA GLY 1 2HA GLY 1 -8.906 -0.440 -10.383 5 2HA GLY 1 1HA GLY 1 -10.239 -0.416 -11.530 6 H SER 2 H SER 2 -10.830 -0.958 -8.963 7 HA SER 2 HA SER 2 -10.910 -3.854 -8.640 8 1HB SER 2 2HB SER 2 -12.249 -2.062 -6.681 9 2HB SER 2 1HB SER 2 -11.230 -3.475 -6.402 10 HG SER 2 HG SER 2 -10.429 -0.833 -7.070 11 H LEU 3 H LEU 3 -12.482 -4.890 -9.658 12 HA LEU 3 HA LEU 3 -14.973 -3.624 -10.363 13 1HB LEU 3 2HB LEU 3 -14.224 -6.544 -10.555 14 2HB LEU 3 1HB LEU 3 -15.540 -5.740 -11.389 15 HG LEU 3 HG LEU 3 -12.647 -5.032 -11.850 16 1HD1 LEU 3 1HD1 LEU 3 -14.384 -7.019 -13.304 17 2HD1 LEU 3 2HD1 LEU 3 -12.859 -6.386 -13.922 18 3HD1 LEU 3 3HD1 LEU 3 -12.881 -7.344 -12.443 19 1HD2 LEU 3 1HD2 LEU 3 -13.925 -4.414 -14.108 20 2HD2 LEU 3 2HD2 LEU 3 -15.261 -4.222 -12.973 21 3HD2 LEU 3 3HD2 LEU 3 -13.779 -3.289 -12.755 22 H SER 4 H SER 4 -13.792 -5.898 -7.996 23 HA SER 4 HA SER 4 -16.424 -5.994 -6.696 24 1HB SER 4 2HB SER 4 -14.378 -7.444 -5.282 25 2HB SER 4 1HB SER 4 -15.829 -8.073 -6.058 26 HG SER 4 HG SER 4 -14.613 -7.997 -8.066 27 H TRP 5 H TRP 5 -15.713 -6.150 -4.050 28 HA TRP 5 HA TRP 5 -15.011 -3.407 -3.637 29 1HB TRP 5 2HB TRP 5 -16.618 -5.039 -2.226 30 2HB TRP 5 1HB TRP 5 -15.143 -5.155 -1.261 31 HD1 TRP 5 HD TRP 5 -16.286 -2.000 -3.124 32 HE1 TRP 5 1HE TRP 5 -16.667 -0.119 -1.398 33 HE3 TRP 5 3HE TRP 5 -15.551 -4.682 1.165 34 HZ2 TRP 5 2HZ TRP 5 -16.640 0.176 1.413 35 HZ3 TRP 5 3HZ TRP 5 -15.729 -3.527 3.332 36 HH2 TRP 5 HH TRP 5 -16.263 -1.148 3.449 37 H LYS 6 H LYS 6 -13.261 -2.558 -2.808 38 HA LYS 6 HA LYS 6 -10.818 -4.041 -3.053 39 1HB LYS 6 2HB LYS 6 -9.908 -1.725 -2.279 40 2HB LYS 6 1HB LYS 6 -10.633 -1.873 -3.874 41 1HG LYS 6 2HG LYS 6 -12.537 -1.186 -1.760 42 2HG LYS 6 1HG LYS 6 -11.280 0.024 -2.031 43 1HD LYS 6 2HD LYS 6 -11.861 0.210 -4.342 44 2HD LYS 6 1HD LYS 6 -12.958 -1.168 -4.232 45 1HE LYS 6 2HE LYS 6 -14.235 0.209 -2.501 46 2HE LYS 6 1HE LYS 6 -13.281 1.583 -3.063 47 1HZ LYS 6 1HZ LYS 6 -14.951 -0.109 -4.844 48 2HZ LYS 6 2HZ LYS 6 -14.175 1.349 -5.240 49 3HZ LYS 6 3HZ LYS 6 -15.477 1.349 -4.156 50 H ARG 7 H ARG 7 -9.115 -3.671 -1.293 51 HA ARG 7 HA ARG 7 -10.157 -3.438 1.395 52 1HB ARG 7 2HB ARG 7 -9.379 -5.615 2.147 53 2HB ARG 7 1HB ARG 7 -10.553 -5.820 0.854 54 1HG ARG 7 2HG ARG 7 -9.060 -7.220 -0.027 55 2HG ARG 7 1HG ARG 7 -8.197 -5.760 -0.518 56 1HD ARG 7 2HD ARG 7 -6.820 -7.492 0.685 57 2HD ARG 7 1HD ARG 7 -6.763 -5.865 1.358 58 HE ARG 7 HE ARG 7 -8.714 -6.986 2.813 59 1HH1 ARG 7 2HH1 ARG 7 -5.443 -7.953 2.046 60 2HH1 ARG 7 1HH1 ARG 7 -5.278 -8.993 3.433 61 1HH2 ARG 7 2HH2 ARG 7 -8.525 -8.397 4.624 62 2HH2 ARG 7 1HH2 ARG 7 -7.033 -9.249 4.894 63 H CYS 8 H CYS 8 -8.414 -3.485 2.997 64 HA CYS 8 HA CYS 8 -6.060 -2.152 2.020 65 1HB CYS 8 2HB CYS 8 -7.196 -1.369 4.043 66 2HB CYS 8 1HB CYS 8 -6.920 -2.926 4.810 67 H ALA 9 H ALA 9 -4.161 -3.069 1.685 68 HA ALA 9 HA ALA 9 -3.807 -5.900 2.351 69 1HB ALA 9 1HB ALA 9 -2.644 -6.022 0.454 70 2HB ALA 9 2HB ALA 9 -3.075 -4.340 0.143 71 3HB ALA 9 3HB ALA 9 -1.567 -4.725 0.974 72 H GLY 10 H GLY 10 -3.352 -3.045 3.840 73 1HA GLY 10 1HA GLY 10 -0.656 -3.395 4.797 74 2HA GLY 10 2HA GLY 10 -1.797 -2.164 5.311 75 H CYS 11 H CYS 11 -3.794 -3.295 6.501 76 HA CYS 11 HA CYS 11 -2.565 -4.613 8.771 77 1HB CYS 11 2HB CYS 11 -4.920 -4.396 9.733 78 2HB CYS 11 1HB CYS 11 -4.062 -2.896 9.405 79 H GLY 12 H GLY 12 -5.769 -5.239 7.457 80 1HA GLY 12 1HA GLY 12 -5.478 -7.531 6.084 81 2HA GLY 12 2HA GLY 12 -5.346 -8.096 7.742 82 H GLY 13 H GLY 13 -7.462 -5.656 6.205 83 1HA GLY 13 1HA GLY 13 -9.725 -7.383 6.461 84 2HA GLY 13 2HA GLY 13 -9.740 -6.040 7.598 85 H LYS 14 H LYS 14 -11.454 -5.047 6.721 86 HA LYS 14 HA LYS 14 -11.260 -4.101 3.949 87 1HB LYS 14 2HB LYS 14 -13.524 -4.544 5.836 88 2HB LYS 14 1HB LYS 14 -13.688 -3.277 4.627 89 1HG LYS 14 2HG LYS 14 -14.503 -4.932 3.360 90 2HG LYS 14 1HG LYS 14 -12.801 -5.313 3.091 91 1HD LYS 14 2HD LYS 14 -12.955 -6.837 5.104 92 2HD LYS 14 1HD LYS 14 -14.703 -6.593 5.046 93 1HE LYS 14 2HE LYS 14 -13.983 -7.226 2.432 94 2HE LYS 14 1HE LYS 14 -13.022 -8.311 3.437 95 1HZ LYS 14 1HZ LYS 14 -15.046 -9.021 4.546 96 2HZ LYS 14 2HZ LYS 14 -15.159 -9.287 2.875 97 3HZ LYS 14 3HZ LYS 14 -15.973 -7.975 3.581 98 H ILE 15 H ILE 15 -11.534 -1.883 3.479 99 HA ILE 15 HA ILE 15 -10.466 -0.169 5.566 100 HB ILE 15 HB ILE 15 -11.213 0.802 2.829 101 1HG1 ILE 15 2HG1 ILE 15 -8.918 -0.988 3.595 102 1HG2 ILE 15 1HG2 ILE 15 -9.560 2.431 3.197 103 2HG2 ILE 15 2HG2 ILE 15 -10.411 2.288 4.736 104 3HG2 ILE 15 3HG2 ILE 15 -8.836 1.522 4.524 105 1HD1 ILE 15 1HD1 ILE 15 -8.512 -0.038 0.969 106 2HD1 ILE 15 2HD1 ILE 15 -8.589 1.358 2.043 107 3HD1 ILE 15 3HD1 ILE 15 -7.431 0.066 2.358 108 H ALA 16 H ALA 16 -12.146 0.022 6.984 109 HA ALA 16 HA ALA 16 -14.671 1.142 6.011 110 1HB ALA 16 1HB ALA 16 -13.954 0.010 8.714 111 2HB ALA 16 2HB ALA 16 -15.559 0.530 8.200 112 3HB ALA 16 3HB ALA 16 -14.789 -0.853 7.422 113 H ASP 17 H ASP 17 -11.909 2.438 6.643 114 HA ASP 17 HA ASP 17 -12.818 4.472 8.542 115 1HB ASP 17 2HB ASP 17 -10.199 3.377 7.762 116 2HB ASP 17 1HB ASP 17 -10.230 5.127 7.963 117 H ARG 18 H ARG 18 -12.387 6.732 8.045 118 HA ARG 18 HA ARG 18 -13.096 7.298 5.284 119 1HB ARG 18 2HB ARG 18 -13.809 9.409 6.016 120 2HB ARG 18 1HB ARG 18 -14.197 8.344 7.358 121 1HG ARG 18 2HG ARG 18 -11.618 9.238 7.884 122 2HG ARG 18 1HG ARG 18 -12.480 10.653 7.276 123 1HD ARG 18 2HD ARG 18 -13.025 8.987 9.696 124 2HD ARG 18 1HD ARG 18 -12.899 10.739 9.550 125 HE ARG 18 HE ARG 18 -15.090 10.739 8.529 126 1HH1 ARG 18 2HH1 ARG 18 -14.134 7.731 10.058 127 2HH1 ARG 18 1HH1 ARG 18 -15.770 7.218 10.346 128 1HH2 ARG 18 2HH2 ARG 18 -17.241 10.064 8.917 129 2HH2 ARG 18 1HH2 ARG 18 -17.531 8.546 9.723 130 H PHE 19 H PHE 19 -10.278 7.022 7.010 131 HA PHE 19 HA PHE 19 -8.853 8.790 5.137 132 1HB PHE 19 2HB PHE 19 -8.392 8.198 8.029 133 2HB PHE 19 1HB PHE 19 -6.983 8.450 7.007 134 HD1 PHE 19 1HD PHE 19 -10.269 10.146 6.749 135 HD2 PHE 19 2HD PHE 19 -6.168 10.484 7.822 136 HE1 PHE 19 1HE PHE 19 -10.546 12.571 7.013 137 HE2 PHE 19 2HE PHE 19 -6.434 12.917 8.084 138 HZ PHE 19 HZ PHE 19 -8.629 13.963 7.682 139 H LEU 20 H LEU 20 -7.904 7.647 3.595 140 HA LEU 20 HA LEU 20 -6.573 5.145 4.276 141 1HB LEU 20 2HB LEU 20 -7.885 3.784 3.047 142 2HB LEU 20 1HB LEU 20 -9.096 5.013 3.357 143 HG LEU 20 HG LEU 20 -7.424 5.331 0.919 144 1HD1 LEU 20 1HD1 LEU 20 -9.788 3.489 0.882 145 2HD1 LEU 20 2HD1 LEU 20 -8.553 3.737 -0.353 146 3HD1 LEU 20 3HD1 LEU 20 -8.151 2.884 1.137 147 1HD2 LEU 20 1HD2 LEU 20 -9.369 6.812 1.862 148 2HD2 LEU 20 2HD2 LEU 20 -9.211 6.519 0.128 149 3HD2 LEU 20 3HD2 LEU 20 -10.383 5.602 1.076 150 H LEU 21 H LEU 21 -5.484 4.264 2.201 151 HA LEU 21 HA LEU 21 -4.519 6.461 0.509 152 1HB LEU 21 2HB LEU 21 -3.034 5.554 2.588 153 2HB LEU 21 1HB LEU 21 -2.505 4.467 1.317 154 HG LEU 21 HG LEU 21 -2.558 7.354 0.651 155 1HD1 LEU 21 1HD1 LEU 21 -1.423 6.618 3.054 156 2HD1 LEU 21 2HD1 LEU 21 -0.065 6.606 1.928 157 3HD1 LEU 21 3HD1 LEU 21 -1.043 8.063 2.116 158 1HD2 LEU 21 1HD2 LEU 21 -0.725 6.787 -0.710 159 2HD2 LEU 21 2HD2 LEU 21 -0.417 5.301 0.187 160 3HD2 LEU 21 3HD2 LEU 21 -1.841 5.428 -0.845 161 H TYR 22 H TYR 22 -3.946 5.870 -1.542 162 HA TYR 22 HA TYR 22 -4.428 3.058 -2.300 163 1HB TYR 22 2HB TYR 22 -4.660 5.389 -4.194 164 2HB TYR 22 1HB TYR 22 -5.254 3.754 -4.413 165 HD1 TYR 22 1HD TYR 22 -5.903 7.002 -2.801 166 HD2 TYR 22 2HD TYR 22 -7.381 3.081 -3.516 167 HE1 TYR 22 1HE TYR 22 -8.141 7.729 -2.110 168 HE2 TYR 22 2HE TYR 22 -9.628 3.801 -2.820 169 HH TYR 22 HH TYR 22 -10.740 5.468 -1.619 170 H ALA 23 H ALA 23 -2.599 2.050 -2.940 171 HA ALA 23 HA ALA 23 -0.580 3.539 -4.420 172 1HB ALA 23 1HB ALA 23 -0.284 3.621 -1.778 173 2HB ALA 23 2HB ALA 23 0.501 2.070 -2.087 174 3HB ALA 23 3HB ALA 23 1.088 3.532 -2.884 175 H MET 24 H MET 24 0.426 2.323 -5.867 176 HA MET 24 HA MET 24 1.082 0.555 -7.125 177 1HB MET 24 2HB MET 24 1.202 -0.627 -4.368 178 2HB MET 24 1HB MET 24 1.522 -1.630 -5.775 179 1HG MET 24 2HG MET 24 3.494 -0.612 -6.236 180 2HG MET 24 1HG MET 24 2.976 0.940 -5.582 181 1HE MET 24 1HE MET 24 2.279 -0.340 -2.122 182 2HE MET 24 2HE MET 24 3.483 0.946 -2.019 183 3HE MET 24 3HE MET 24 2.181 1.049 -3.204 184 H ASP 25 H ASP 25 -1.669 1.120 -6.942 185 HA ASP 25 HA ASP 25 -3.672 0.327 -7.627 186 1HB ASP 25 2HB ASP 25 -1.812 -1.682 -8.640 187 2HB ASP 25 1HB ASP 25 -3.429 -2.317 -8.355 188 H SER 26 H SER 26 -2.241 -0.576 -4.927 189 HA SER 26 HA SER 26 -4.465 -2.312 -4.098 190 1HB SER 26 2HB SER 26 -2.239 -2.134 -2.214 191 2HB SER 26 1HB SER 26 -3.024 -3.563 -2.889 192 HG SER 26 HG SER 26 -1.670 -2.512 -4.859 193 H TYR 27 H TYR 27 -5.447 -1.849 -2.076 194 HA TYR 27 HA TYR 27 -5.251 1.008 -1.438 195 1HB TYR 27 2HB TYR 27 -7.537 -0.944 -1.127 196 2HB TYR 27 1HB TYR 27 -7.558 0.686 -0.462 197 HD1 TYR 27 1HD TYR 27 -9.721 0.681 -1.930 198 HD2 TYR 27 2HD TYR 27 -5.785 0.638 -3.542 199 HE1 TYR 27 1HE TYR 27 -10.593 1.519 -4.070 200 HE2 TYR 27 2HE TYR 27 -6.644 1.471 -5.683 201 HH TYR 27 HH TYR 27 -9.460 2.938 -6.100 202 H TRP 28 H TRP 28 -5.206 1.690 0.686 203 HA TRP 28 HA TRP 28 -4.475 -0.274 2.744 204 1HB TRP 28 2HB TRP 28 -2.794 2.173 2.150 205 2HB TRP 28 1HB TRP 28 -2.398 0.842 3.222 206 HD1 TRP 28 HD TRP 28 -2.656 1.632 -0.552 207 HE1 TRP 28 1HE TRP 28 -1.072 0.037 -1.813 208 HE3 TRP 28 3HE TRP 28 -1.151 -1.278 3.366 209 HZ2 TRP 28 2HZ TRP 28 0.596 -2.149 -1.221 210 HZ3 TRP 28 3HZ TRP 28 0.451 -3.097 2.933 211 HH2 TRP 28 HH TRP 28 1.304 -3.518 0.692 212 H HIS 29 H HIS 29 -3.947 1.031 4.827 213 HA HIS 29 HA HIS 29 -5.903 3.213 5.164 214 1HB HIS 29 2HB HIS 29 -4.547 1.382 7.138 215 2HB HIS 29 1HB HIS 29 -5.233 2.916 7.653 216 HD2 HIS 29 2HD HIS 29 -8.099 3.081 7.227 217 HE1 HIS 29 1HE HIS 29 -8.468 -1.136 7.345 218 HE2 HIS 29 2HE HIS 29 -9.657 1.066 7.767 219 H SER 30 H SER 30 -4.987 4.974 6.730 220 HA SER 30 HA SER 30 -2.704 6.130 5.553 221 1HB SER 30 2HB SER 30 -3.452 6.939 8.315 222 2HB SER 30 1HB SER 30 -3.132 7.931 6.892 223 HG SER 30 HG SER 30 -5.174 7.879 6.383 224 H ARG 31 H ARG 31 -3.167 4.363 8.596 225 HA ARG 31 HA ARG 31 -0.309 4.484 9.153 226 1HB ARG 31 2HB ARG 31 -2.288 4.682 10.855 227 2HB ARG 31 1HB ARG 31 -2.274 2.925 10.796 228 1HG ARG 31 2HG ARG 31 -0.861 3.228 12.540 229 2HG ARG 31 1HG ARG 31 0.314 3.307 11.228 230 1HD ARG 31 2HD ARG 31 -0.058 5.821 11.243 231 2HD ARG 31 1HD ARG 31 -0.909 5.582 12.770 232 HE ARG 31 HE ARG 31 1.414 4.325 13.231 233 1HH1 ARG 31 2HH1 ARG 31 0.696 7.544 12.014 234 2HH1 ARG 31 1HH1 ARG 31 2.229 8.205 12.518 235 1HH2 ARG 31 2HH2 ARG 31 3.404 5.201 13.901 236 2HH2 ARG 31 1HH2 ARG 31 3.740 6.890 13.642 237 H CYS 32 H CYS 32 -1.873 2.749 7.017 238 HA CYS 32 HA CYS 32 -0.567 0.209 7.710 239 1HB CYS 32 2HB CYS 32 -2.894 0.799 5.886 240 2HB CYS 32 1HB CYS 32 -2.080 -0.763 5.937 241 H LEU 33 H LEU 33 -0.826 2.708 5.265 242 HA LEU 33 HA LEU 33 1.019 1.363 3.477 243 1HB LEU 33 2HB LEU 33 -0.846 3.061 2.858 244 2HB LEU 33 1HB LEU 33 0.317 4.278 3.336 245 HG LEU 33 HG LEU 33 0.072 3.532 0.819 246 1HD1 LEU 33 1HD1 LEU 33 2.165 4.650 2.407 247 2HD1 LEU 33 2HD1 LEU 33 2.854 3.710 1.083 248 3HD1 LEU 33 3HD1 LEU 33 1.710 5.006 0.741 249 1HD2 LEU 33 1HD2 LEU 33 1.774 1.861 0.203 250 2HD2 LEU 33 2HD2 LEU 33 2.008 1.496 1.916 251 3HD2 LEU 33 3HD2 LEU 33 0.452 1.169 1.148 252 H LYS 34 H LYS 34 2.690 1.003 4.941 253 HA LYS 34 HA LYS 34 4.444 3.297 5.407 254 1HB LYS 34 2HB LYS 34 4.756 2.270 7.797 255 2HB LYS 34 1HB LYS 34 3.423 3.370 7.481 256 1HG LYS 34 2HG LYS 34 2.293 1.738 8.585 257 2HG LYS 34 1HG LYS 34 2.162 1.101 6.946 258 1HD LYS 34 2HD LYS 34 4.620 0.214 8.116 259 2HD LYS 34 1HD LYS 34 3.283 -0.148 9.210 260 1HE LYS 34 2HE LYS 34 2.253 -0.882 6.783 261 2HE LYS 34 1HE LYS 34 3.954 -1.311 6.604 262 1HZ LYS 34 1HZ LYS 34 3.707 -3.036 7.967 263 2HZ LYS 34 2HZ LYS 34 2.031 -2.797 7.853 264 3HZ LYS 34 3HZ LYS 34 2.894 -2.113 9.137 265 H CYS 35 H CYS 35 6.455 2.420 6.650 266 HA CYS 35 HA CYS 35 7.826 0.586 5.029 267 1HB CYS 35 2HB CYS 35 8.716 2.385 6.640 268 2HB CYS 35 1HB CYS 35 8.488 1.188 7.905 269 H SER 36 H SER 36 7.951 -1.584 5.077 270 HA SER 36 HA SER 36 6.366 -3.043 7.037 271 1HB SER 36 2HB SER 36 8.053 -4.432 4.999 272 2HB SER 36 1HB SER 36 6.439 -4.838 5.584 273 HG SER 36 HG SER 36 6.472 -2.435 4.322 274 H SER 37 H SER 37 9.205 -1.644 7.227 275 HA SER 37 HA SER 37 10.534 -3.885 8.578 276 1HB SER 37 2HB SER 37 12.230 -1.591 8.016 277 2HB SER 37 1HB SER 37 12.438 -3.282 7.555 278 HG SER 37 HG SER 37 11.119 -1.198 6.182 279 H CYS 38 H CYS 38 10.482 -0.296 8.799 280 HA CYS 38 HA CYS 38 10.777 -0.615 11.699 281 1HB CYS 38 2HB CYS 38 11.796 1.520 11.783 282 2HB CYS 38 1HB CYS 38 12.517 0.687 10.412 283 H GLN 39 H GLN 39 8.420 -0.112 9.520 284 HA GLN 39 HA GLN 39 6.247 0.488 9.667 285 1HB GLN 39 2HB GLN 39 7.048 0.291 12.474 286 2HB GLN 39 1HB GLN 39 5.697 1.385 12.202 287 1HG GLN 39 2HG GLN 39 4.683 -0.653 12.606 288 2HG GLN 39 1HG GLN 39 4.667 -0.523 10.851 289 1HE2 GLN 39 1HE2 GLN 39 6.164 -1.783 9.646 290 2HE2 GLN 39 2HE2 GLN 39 6.815 -3.243 10.313 291 H ALA 40 H ALA 40 8.493 2.484 9.279 292 HA ALA 40 HA ALA 40 7.662 5.005 10.184 293 1HB ALA 40 1HB ALA 40 9.871 4.697 9.248 294 2HB ALA 40 2HB ALA 40 9.175 4.270 7.683 295 3HB ALA 40 3HB ALA 40 8.983 5.905 8.317 296 H GLN 41 H GLN 41 5.888 5.956 9.785 297 HA GLN 41 HA GLN 41 3.923 5.085 7.984 298 1HB GLN 41 2HB GLN 41 3.977 6.737 10.162 299 2HB GLN 41 1HB GLN 41 3.732 7.892 8.860 300 1HG GLN 41 2HG GLN 41 2.020 5.479 8.865 301 2HG GLN 41 1HG GLN 41 1.728 6.684 10.119 302 1HE2 GLN 41 1HE2 GLN 41 0.241 8.124 9.600 303 2HE2 GLN 41 2HE2 GLN 41 -0.106 8.687 8.002 304 H LEU 42 H LEU 42 4.362 5.086 5.870 305 HA LEU 42 HA LEU 42 6.012 7.001 4.604 306 1HB LEU 42 2HB LEU 42 4.424 4.640 3.741 307 2HB LEU 42 1HB LEU 42 4.983 5.754 2.509 308 HG LEU 42 HG LEU 42 6.604 4.016 4.342 309 1HD1 LEU 42 1HD1 LEU 42 6.132 4.282 1.422 310 2HD1 LEU 42 2HD1 LEU 42 7.710 3.721 1.971 311 3HD1 LEU 42 3HD1 LEU 42 6.254 2.836 2.423 312 1HD2 LEU 42 1HD2 LEU 42 8.551 5.196 3.987 313 2HD2 LEU 42 2HD2 LEU 42 7.913 6.032 2.571 314 3HD2 LEU 42 3HD2 LEU 42 7.386 6.505 4.187 315 H GLY 43 H GLY 43 2.873 7.328 5.527 316 1HA GLY 43 1HA GLY 43 2.288 9.173 3.294 317 2HA GLY 43 2HA GLY 43 1.058 8.387 4.275 318 H ASP 44 H ASP 44 3.619 9.246 6.207 319 HA ASP 44 HA ASP 44 2.187 11.655 7.108 320 1HB ASP 44 2HB ASP 44 2.528 9.565 8.616 321 2HB ASP 44 1HB ASP 44 4.180 10.152 8.778 322 H ILE 45 H ILE 45 5.492 10.336 6.940 323 HA ILE 45 HA ILE 45 6.634 13.005 7.071 324 HB ILE 45 HB ILE 45 8.723 11.285 6.469 325 1HG1 ILE 45 2HG1 ILE 45 6.951 9.890 8.481 326 1HG2 ILE 45 1HG2 ILE 45 9.184 11.464 8.947 327 2HG2 ILE 45 2HG2 ILE 45 8.936 12.987 8.091 328 3HG2 ILE 45 3HG2 ILE 45 7.641 12.310 9.079 329 1HD1 ILE 45 1HD1 ILE 45 9.449 8.979 7.078 330 2HD1 ILE 45 2HD1 ILE 45 9.304 9.409 8.781 331 3HD1 ILE 45 3HD1 ILE 45 8.454 7.999 8.152 332 H GLY 46 H GLY 46 5.123 13.024 4.951 333 1HA GLY 46 1HA GLY 46 5.482 13.845 2.743 334 2HA GLY 46 2HA GLY 46 7.007 12.967 2.701 335 H THR 47 H THR 47 3.841 12.947 1.642 336 HA THR 47 HA THR 47 3.331 10.154 1.828 337 HB THR 47 HB THR 47 1.817 11.452 -0.269 338 HG1 THR 47 1HG THR 47 1.272 13.292 0.674 339 1HG2 THR 47 1HG2 THR 47 0.739 9.683 0.759 340 2HG2 THR 47 2HG2 THR 47 0.005 11.060 1.578 341 3HG2 THR 47 3HG2 THR 47 1.290 10.148 2.367 342 H SER 48 H SER 48 4.637 8.799 0.817 343 HA SER 48 HA SER 48 4.671 8.738 -2.066 344 1HB SER 48 2HB SER 48 7.394 8.442 -1.552 345 2HB SER 48 1HB SER 48 6.630 9.837 -2.308 346 HG SER 48 HG SER 48 6.426 9.926 0.403 347 H SER 49 H SER 49 4.644 6.636 -2.675 348 HA SER 49 HA SER 49 5.109 4.634 -0.611 349 1HB SER 49 2HB SER 49 4.261 3.210 -2.738 350 2HB SER 49 1HB SER 49 3.164 3.995 -1.602 351 HG SER 49 HG SER 49 2.555 4.642 -3.635 352 H TYR 50 H TYR 50 6.869 3.416 -0.566 353 HA TYR 50 HA TYR 50 8.736 3.650 -2.802 354 1HB TYR 50 2HB TYR 50 9.086 2.714 0.042 355 2HB TYR 50 1HB TYR 50 10.330 2.502 -1.188 356 HD1 TYR 50 1HD TYR 50 11.788 3.857 0.333 357 HD2 TYR 50 2HD TYR 50 8.313 5.461 -1.500 358 HE1 TYR 50 1HE TYR 50 12.600 6.122 0.800 359 HE2 TYR 50 2HE TYR 50 9.107 7.743 -1.036 360 HH TYR 50 HH TYR 50 11.475 8.838 -0.649 361 H THR 51 H THR 51 9.345 1.980 -3.996 362 HA THR 51 HA THR 51 7.870 -0.517 -3.550 363 HB THR 51 HB THR 51 8.143 1.008 -6.134 364 HG1 THR 51 1HG THR 51 6.222 1.030 -4.090 365 1HG2 THR 51 1HG2 THR 51 7.705 -1.101 -6.903 366 2HG2 THR 51 2HG2 THR 51 6.050 -0.608 -6.543 367 3HG2 THR 51 3HG2 THR 51 6.943 -1.610 -5.397 368 H LYS 52 H LYS 52 9.382 -1.995 -3.238 369 HA LYS 52 HA LYS 52 10.927 -2.797 -5.500 370 1HB LYS 52 2HB LYS 52 12.267 -1.392 -3.356 371 2HB LYS 52 1HB LYS 52 12.852 -3.048 -3.471 372 1HG LYS 52 2HG LYS 52 13.038 -2.546 -6.004 373 2HG LYS 52 1HG LYS 52 12.980 -0.857 -5.493 374 1HD LYS 52 2HD LYS 52 15.094 -0.914 -4.784 375 2HD LYS 52 1HD LYS 52 14.830 -2.410 -3.887 376 1HE LYS 52 2HE LYS 52 16.473 -2.920 -5.496 377 2HE LYS 52 1HE LYS 52 14.973 -3.605 -6.119 378 1HZ LYS 52 1HZ LYS 52 16.632 -2.019 -7.517 379 2HZ LYS 52 2HZ LYS 52 15.489 -0.890 -6.967 380 3HZ LYS 52 3HZ LYS 52 14.986 -2.238 -7.867 381 H SER 53 H SER 53 10.762 -4.934 -5.615 382 HA SER 53 HA SER 53 10.241 -7.094 -5.078 383 1HB SER 53 2HB SER 53 10.922 -6.153 -2.286 384 2HB SER 53 1HB SER 53 10.333 -7.783 -2.615 385 HG SER 53 HG SER 53 12.285 -8.279 -3.166 386 H GLY 54 H GLY 54 8.422 -4.669 -5.029 387 1HA GLY 54 1HA GLY 54 6.173 -4.258 -4.720 388 2HA GLY 54 2HA GLY 54 5.978 -5.958 -4.307 389 H MET 55 H MET 55 8.371 -4.368 -2.537 390 HA MET 55 HA MET 55 6.683 -4.451 -0.152 391 1HB MET 55 2HB MET 55 8.921 -5.715 -0.423 392 2HB MET 55 1HB MET 55 9.676 -4.145 -0.205 393 1HG MET 55 2HG MET 55 8.363 -3.978 1.957 394 2HG MET 55 1HG MET 55 8.009 -5.692 1.746 395 1HE MET 55 1HE MET 55 10.778 -6.086 0.060 396 2HE MET 55 2HE MET 55 12.031 -6.573 1.198 397 3HE MET 55 3HE MET 55 10.489 -7.430 1.165 398 H ILE 56 H ILE 56 6.668 -2.759 1.336 399 HA ILE 56 HA ILE 56 7.397 -0.143 0.199 400 HB ILE 56 HB ILE 56 5.689 0.096 2.496 401 1HG1 ILE 56 2HG1 ILE 56 4.291 -1.326 0.254 402 1HG2 ILE 56 1HG2 ILE 56 5.986 1.817 0.829 403 2HG2 ILE 56 2HG2 ILE 56 5.297 0.769 -0.411 404 3HG2 ILE 56 3HG2 ILE 56 4.289 1.344 0.914 405 1HD1 ILE 56 1HD1 ILE 56 2.543 -0.851 1.522 406 2HD1 ILE 56 2HD1 ILE 56 3.177 -2.014 2.689 407 3HD1 ILE 56 3HD1 ILE 56 3.569 -0.301 2.850 408 H LEU 57 H LEU 57 8.930 1.011 1.162 409 HA LEU 57 HA LEU 57 9.539 0.544 3.995 410 1HB LEU 57 2HB LEU 57 11.819 0.886 2.107 411 2HB LEU 57 1HB LEU 57 11.788 0.122 3.681 412 HG LEU 57 HG LEU 57 10.174 -1.495 2.075 413 1HD1 LEU 57 1HD1 LEU 57 11.549 -2.002 0.152 414 2HD1 LEU 57 2HD1 LEU 57 11.091 -0.299 0.116 415 3HD1 LEU 57 3HD1 LEU 57 12.714 -0.764 0.624 416 1HD2 LEU 57 1HD2 LEU 57 12.599 -1.619 3.611 417 2HD2 LEU 57 2HD2 LEU 57 11.391 -2.870 3.316 418 3HD2 LEU 57 3HD2 LEU 57 12.714 -2.635 2.175 419 H CYS 58 H CYS 58 11.244 2.204 4.718 420 HA CYS 58 HA CYS 58 10.468 4.846 3.770 421 1HB CYS 58 2HB CYS 58 11.862 5.672 5.640 422 2HB CYS 58 1HB CYS 58 10.644 4.525 6.192 423 H ARG 59 H ARG 59 12.504 6.415 3.647 424 HA ARG 59 HA ARG 59 14.043 5.514 1.439 425 1HB ARG 59 2HB ARG 59 13.508 7.978 2.652 426 2HB ARG 59 1HB ARG 59 15.248 7.772 2.788 427 1HG ARG 59 2HG ARG 59 13.559 7.948 0.326 428 2HG ARG 59 1HG ARG 59 14.981 8.890 0.772 429 1HD ARG 59 2HD ARG 59 15.247 5.942 0.363 430 2HD ARG 59 1HD ARG 59 15.136 7.000 -1.044 431 HE ARG 59 HE ARG 59 17.287 6.984 0.959 432 1HH1 ARG 59 2HH1 ARG 59 15.970 8.098 -2.090 433 2HH1 ARG 59 1HH1 ARG 59 17.474 8.791 -2.623 434 1HH2 ARG 59 2HH2 ARG 59 19.256 7.893 0.269 435 2HH2 ARG 59 1HH2 ARG 59 19.348 8.656 -1.290 436 H ASN 60 H ASN 60 14.594 5.547 4.874 437 HA ASN 60 HA ASN 60 17.417 5.029 4.683 438 1HB ASN 60 2HB ASN 60 16.649 6.128 6.664 439 2HB ASN 60 1HB ASN 60 15.449 4.877 6.968 440 1HD2 ASN 60 1HD2 ASN 60 18.845 5.676 7.050 441 2HD2 ASN 60 2HD2 ASN 60 19.309 4.384 8.107 442 H ASP 61 H ASP 61 14.525 3.097 5.419 443 HA ASP 61 HA ASP 61 15.943 0.643 5.706 444 1HB ASP 61 2HB ASP 61 13.127 1.492 5.651 445 2HB ASP 61 1HB ASP 61 13.399 -0.124 5.014 446 H TYR 62 H TYR 62 14.671 2.388 3.003 447 HA TYR 62 HA TYR 62 14.525 0.416 1.043 448 1HB TYR 62 2HB TYR 62 13.976 2.967 0.964 449 2HB TYR 62 1HB TYR 62 15.652 3.139 0.463 450 HD1 TYR 62 1HD TYR 62 12.310 2.281 -0.569 451 HD2 TYR 62 2HD TYR 62 16.416 2.001 -1.634 452 HE1 TYR 62 1HE TYR 62 11.669 1.794 -2.902 453 HE2 TYR 62 2HE TYR 62 15.789 1.513 -3.957 454 HH TYR 62 HH TYR 62 14.132 1.072 -5.370 455 H ILE 63 H ILE 63 17.307 2.463 1.931 456 HA ILE 63 HA ILE 63 19.073 1.006 0.193 457 HB ILE 63 HB ILE 63 20.265 2.712 2.291 458 1HG1 ILE 63 2HG1 ILE 63 18.070 3.834 1.639 459 1HG2 ILE 63 1HG2 ILE 63 21.118 3.593 -0.151 460 2HG2 ILE 63 2HG2 ILE 63 21.896 2.336 0.812 461 3HG2 ILE 63 3HG2 ILE 63 20.766 1.893 -0.467 462 1HD1 ILE 63 1HD1 ILE 63 17.640 4.647 -0.415 463 2HD1 ILE 63 2HD1 ILE 63 19.345 4.817 -0.831 464 3HD1 ILE 63 3HD1 ILE 63 18.573 3.232 -0.901 465 H ARG 64 H ARG 64 17.881 0.442 3.292 466 HA ARG 64 HA ARG 64 20.241 -0.955 4.246 467 1HB ARG 64 2HB ARG 64 18.345 0.248 5.649 468 2HB ARG 64 1HB ARG 64 17.558 -1.319 5.510 469 1HG ARG 64 2HG ARG 64 20.320 -1.602 6.290 470 2HG ARG 64 1HG ARG 64 19.440 -0.548 7.398 471 1HD ARG 64 2HD ARG 64 18.724 -2.418 8.378 472 2HD ARG 64 1HD ARG 64 17.680 -2.621 6.972 473 HE ARG 64 HE ARG 64 20.387 -3.735 6.859 474 1HH1 ARG 64 2HH1 ARG 64 16.937 -4.266 7.175 475 2HH1 ARG 64 1HH1 ARG 64 17.041 -5.964 6.803 476 1HH2 ARG 64 2HH2 ARG 64 20.531 -5.949 6.385 477 2HH2 ARG 64 1HH2 ARG 64 19.087 -6.926 6.356 478 H LEU 65 H LEU 65 17.068 -1.701 2.914 479 HA LEU 65 HA LEU 65 17.490 -4.543 3.129 480 1HB LEU 65 2HB LEU 65 15.283 -2.778 2.668 481 2HB LEU 65 1HB LEU 65 15.325 -3.978 1.392 482 HG LEU 65 HG LEU 65 13.978 -5.037 2.909 483 1HD1 LEU 65 1HD1 LEU 65 15.145 -6.833 3.880 484 2HD1 LEU 65 2HD1 LEU 65 16.109 -6.349 2.485 485 3HD1 LEU 65 3HD1 LEU 65 16.604 -5.867 4.109 486 1HD2 LEU 65 1HD2 LEU 65 15.498 -4.417 5.364 487 2HD2 LEU 65 2HD2 LEU 65 14.647 -3.075 4.597 488 3HD2 LEU 65 3HD2 LEU 65 13.756 -4.513 5.096 489 H PHE 66 H PHE 66 17.439 -2.149 0.516 490 HA PHE 66 HA PHE 66 18.331 -4.272 -1.323 491 1HB PHE 66 2HB PHE 66 16.802 -1.748 -1.974 492 2HB PHE 66 1HB PHE 66 17.255 -3.008 -3.115 493 HD1 PHE 66 1HD PHE 66 16.242 -5.269 -2.902 494 HD2 PHE 66 2HD PHE 66 14.869 -1.936 -0.645 495 HE1 PHE 66 1HE PHE 66 14.140 -6.456 -2.435 496 HE2 PHE 66 2HE PHE 66 12.767 -3.119 -0.172 497 HZ PHE 66 HZ PHE 66 12.401 -5.383 -1.065 498 H GLY 67 H GLY 67 19.680 -1.927 0.369 499 1HA GLY 67 1HA GLY 67 21.016 -0.358 -1.598 500 2HA GLY 67 2HA GLY 67 21.458 -0.487 0.099 501 H ASN 68 H ASN 68 21.973 -1.676 -3.100 502 HA ASN 68 HA ASN 68 23.932 -3.640 -2.213 503 1HB ASN 68 2HB ASN 68 22.220 -4.003 -4.115 504 2HB ASN 68 1HB ASN 68 23.288 -2.986 -5.080 505 1HD2 ASN 68 1HD2 ASN 68 22.636 -6.085 -4.003 506 2HD2 ASN 68 2HD2 ASN 68 24.109 -6.850 -4.506 507 H SER 69 H SER 69 25.972 -3.065 -1.919 508 HA SER 69 HA SER 69 26.926 -0.525 -2.852 509 1HB SER 69 2HB SER 69 29.070 -2.006 -1.767 510 2HB SER 69 1HB SER 69 28.124 -0.744 -0.978 511 HG SER 69 HG SER 69 28.033 -3.489 -0.678 512 H GLY 70 H GLY 70 26.363 -2.751 -4.820 513 1HA GLY 70 1HA GLY 70 28.905 -3.469 -5.946 514 2HA GLY 70 2HA GLY 70 27.330 -3.691 -6.695 515 H ALA 71 H ALA 71 29.930 -1.416 -6.115 516 HA ALA 71 HA ALA 71 29.247 -0.020 -8.582 517 1HB ALA 71 1HB ALA 71 28.040 1.283 -6.989 518 2HB ALA 71 2HB ALA 71 29.417 1.315 -5.887 519 3HB ALA 71 3HB ALA 71 29.493 2.185 -7.418 520 H GLY 72 H GLY 72 30.960 1.124 -9.495 521 1HA GLY 72 1HA GLY 72 33.588 0.592 -8.246 522 2HA GLY 72 2HA GLY 72 33.314 0.516 -9.982 523 H GLY 73 H GLY 73 31.466 2.961 -8.723 524 1HA GLY 73 1HA GLY 73 31.739 5.244 -8.488 525 2HA GLY 73 2HA GLY 73 33.479 5.012 -8.569 526 H SER 74 H SER 74 31.296 3.786 -11.005 527 HA SER 74 HA SER 74 32.276 5.863 -12.850 528 1HB SER 74 2HB SER 74 31.780 3.132 -13.920 529 2HB SER 74 1HB SER 74 32.996 4.320 -14.386 530 HG SER 74 HG SER 74 34.065 3.819 -12.369 531 H GLY 75 H GLY 75 29.699 5.589 -11.396 532 1HA GLY 75 1HA GLY 75 27.918 6.657 -13.057 533 2HA GLY 75 2HA GLY 75 27.804 4.967 -13.524 534 H GLY 76 H GLY 76 26.069 4.055 -12.672 535 1HA GLY 76 1HA GLY 76 24.728 3.211 -10.979 536 2HA GLY 76 2HA GLY 76 25.629 4.174 -9.816 537 H HIS 77 H HIS 77 25.144 6.444 -9.676 538 HA HIS 77 HA HIS 77 22.953 7.673 -10.956 539 1HB HIS 77 2HB HIS 77 22.144 5.874 -8.970 540 2HB HIS 77 1HB HIS 77 22.091 7.445 -8.183 541 HD1 HIS 77 1HD HIS 77 19.958 8.656 -8.448 542 HD2 HIS 77 2HD HIS 77 20.601 5.941 -11.533 543 HE1 HIS 77 1HE HIS 77 17.859 8.696 -9.837 544 HE2 HIS 77 2HE HIS 77 18.276 7.065 -11.718 545 H MET 78 H MET 78 22.646 9.841 -10.195 546 HA MET 78 HA MET 78 24.886 10.843 -8.604 547 1HB MET 78 2HB MET 78 23.564 11.896 -10.775 548 2HB MET 78 1HB MET 78 22.823 12.763 -9.436 549 1HG MET 78 2HG MET 78 24.542 14.162 -9.647 550 2HG MET 78 1HG MET 78 25.461 12.922 -8.797 551 1HE MET 78 1HE MET 78 28.009 11.722 -10.997 552 2HE MET 78 2HE MET 78 27.054 11.565 -9.522 553 3HE MET 78 3HE MET 78 26.592 10.672 -10.972 554 H GLY 79 H GLY 79 23.599 9.286 -7.044 555 1HA GLY 79 1HA GLY 79 22.778 9.505 -4.814 556 2HA GLY 79 2HA GLY 79 21.974 10.996 -5.292 557 H SER 80 H SER 80 21.316 8.002 -4.326 558 HA SER 80 HA SER 80 19.445 7.035 -6.207 559 1HB SER 80 2HB SER 80 19.115 6.593 -3.252 560 2HB SER 80 1HB SER 80 18.853 5.465 -4.584 561 HG SER 80 HG SER 80 20.875 4.890 -4.474 562 H GLY 81 H GLY 81 17.426 7.633 -6.648 563 1HA GLY 81 1HA GLY 81 15.279 8.616 -5.924 564 2HA GLY 81 2HA GLY 81 16.226 9.742 -4.955 565 H GLY 82 H GLY 82 18.265 10.075 -7.021 566 1HA GLY 82 1HA GLY 82 18.685 11.245 -8.961 567 2HA GLY 82 2HA GLY 82 17.007 11.002 -9.417 568 H ASP 83 H ASP 83 15.717 12.703 -9.425 569 HA ASP 83 HA ASP 83 16.736 15.275 -8.601 570 1HB ASP 83 2HB ASP 83 15.526 15.559 -10.536 571 2HB ASP 83 1HB ASP 83 14.398 14.268 -10.149 572 H VAL 84 H VAL 84 14.715 12.812 -7.329 573 HA VAL 84 HA VAL 84 13.199 14.345 -5.484 574 HB VAL 84 HB VAL 84 13.989 11.452 -5.165 575 1HG1 VAL 84 1HG1 VAL 84 11.496 12.896 -4.288 576 2HG1 VAL 84 2HG1 VAL 84 11.980 11.245 -3.888 577 3HG1 VAL 84 3HG1 VAL 84 12.896 12.612 -3.251 578 1HG2 VAL 84 1HG2 VAL 84 13.095 11.843 -7.421 579 2HG2 VAL 84 2HG2 VAL 84 12.008 10.865 -6.437 580 3HG2 VAL 84 3HG2 VAL 84 11.655 12.571 -6.712 581 H MET 85 H MET 85 14.159 15.602 -4.053 582 HA MET 85 HA MET 85 15.243 16.258 -2.176 583 1HB MET 85 2HB MET 85 14.515 14.153 -1.179 584 2HB MET 85 1HB MET 85 15.920 13.332 -1.848 585 1HG MET 85 2HG MET 85 16.697 15.629 -0.286 586 2HG MET 85 1HG MET 85 15.695 14.518 0.650 587 1HE MET 85 1HE MET 85 18.109 15.303 1.574 588 2HE MET 85 2HE MET 85 18.596 13.745 2.246 589 3HE MET 85 3HE MET 85 19.632 14.563 1.078 590 H VAL 86 H VAL 86 17.193 13.810 -3.858 591 HA VAL 86 HA VAL 86 19.690 14.933 -3.138 592 HB VAL 86 HB VAL 86 19.273 13.276 -5.611 593 1HG1 VAL 86 1HG1 VAL 86 21.476 12.981 -5.543 594 2HG1 VAL 86 2HG1 VAL 86 21.513 14.273 -4.343 595 3HG1 VAL 86 3HG1 VAL 86 21.446 12.589 -3.822 596 1HG2 VAL 86 1HG2 VAL 86 19.186 11.270 -4.349 597 2HG2 VAL 86 2HG2 VAL 86 19.489 12.126 -2.838 598 3HG2 VAL 86 3HG2 VAL 86 17.955 12.339 -3.679 599 H VAL 87 H VAL 87 17.728 15.132 -6.070 600 HA VAL 87 HA VAL 87 17.713 16.519 -7.855 601 HB VAL 87 HB VAL 87 19.291 18.589 -6.353 602 1HG1 VAL 87 1HG1 VAL 87 16.821 19.270 -7.794 603 2HG1 VAL 87 2HG1 VAL 87 18.402 20.055 -7.814 604 3HG1 VAL 87 3HG1 VAL 87 18.117 18.617 -8.797 605 1HG2 VAL 87 1HG2 VAL 87 17.127 19.360 -5.352 606 2HG2 VAL 87 2HG2 VAL 87 16.419 17.821 -5.843 607 3HG2 VAL 87 3HG2 VAL 87 17.748 17.852 -4.681 608 H GLY 88 H GLY 88 19.865 14.642 -7.518 609 1HA GLY 88 1HA GLY 88 21.671 14.036 -8.825 610 2HA GLY 88 2HA GLY 88 21.595 15.617 -9.591 611 H GLU 89 H GLU 89 22.617 13.984 -6.609 612 HA GLU 89 HA GLU 89 24.839 15.903 -6.428 613 1HB GLU 89 2HB GLU 89 22.685 15.466 -4.536 614 2HB GLU 89 1HB GLU 89 24.254 15.158 -3.802 615 1HG GLU 89 2HG GLU 89 23.713 17.656 -5.364 616 2HG GLU 89 1HG GLU 89 23.306 17.523 -3.652 617 HA PRO 90 HA PRO 90 27.060 12.049 -6.308 618 1HB PRO 90 2HB PRO 90 29.551 13.087 -6.148 619 2HB PRO 90 1HB PRO 90 28.603 13.118 -7.639 620 1HG PRO 90 2HG PRO 90 29.033 15.288 -5.623 621 2HG PRO 90 1HG PRO 90 29.041 15.387 -7.393 622 1HD PRO 90 2HD PRO 90 26.909 16.121 -5.878 623 2HD PRO 90 1HD PRO 90 26.752 15.478 -7.524 624 H THR 91 H THR 91 27.203 14.501 -3.847 625 HA THR 91 HA THR 91 28.856 13.061 -2.018 626 HB THR 91 HB THR 91 26.894 15.056 -0.998 627 HG1 THR 91 1HG THR 91 27.408 16.259 -2.722 628 1HG2 THR 91 1HG2 THR 91 29.286 15.862 -0.120 629 2HG2 THR 91 2HG2 THR 91 29.672 14.171 -0.444 630 3HG2 THR 91 3HG2 THR 91 28.370 14.579 0.674 631 H LEU 92 H LEU 92 25.585 12.875 -2.943 632 HA LEU 92 HA LEU 92 24.754 11.414 -0.558 633 1HB LEU 92 2HB LEU 92 23.396 12.992 -2.388 634 2HB LEU 92 1HB LEU 92 22.960 11.362 -2.860 635 HG LEU 92 HG LEU 92 22.739 11.774 0.015 636 1HD1 LEU 92 1HD1 LEU 92 20.462 13.103 -1.053 637 2HD1 LEU 92 2HD1 LEU 92 21.636 13.694 0.122 638 3HD1 LEU 92 3HD1 LEU 92 21.912 13.941 -1.602 639 1HD2 LEU 92 1HD2 LEU 92 20.439 10.888 -0.494 640 2HD2 LEU 92 2HD2 LEU 92 20.921 10.826 -2.190 641 3HD2 LEU 92 3HD2 LEU 92 21.776 9.851 -0.995 642 H MET 93 H MET 93 24.178 9.202 -0.631 643 HA MET 93 HA MET 93 25.787 7.576 -2.299 644 1HB MET 93 2HB MET 93 24.702 7.077 0.039 645 2HB MET 93 1HB MET 93 23.344 6.514 -0.925 646 1HG MET 93 2HG MET 93 24.837 4.945 -2.083 647 2HG MET 93 1HG MET 93 26.169 5.489 -1.066 648 1HE MET 93 1HE MET 93 26.175 3.007 1.570 649 2HE MET 93 2HE MET 93 26.998 3.895 0.285 650 3HE MET 93 3HE MET 93 26.342 4.760 1.675 651 H GLY 94 H GLY 94 25.403 6.696 -4.228 652 1HA GLY 94 1HA GLY 94 22.770 6.297 -5.291 653 2HA GLY 94 2HA GLY 94 23.543 7.727 -5.960 654 H GLY 95 H GLY 95 26.228 6.606 -5.839 655 1HA GLY 95 1HA GLY 95 26.319 5.312 -8.368 656 2HA GLY 95 2HA GLY 95 27.652 5.441 -7.223 657 H GLU 96 H GLU 96 26.394 4.188 -5.056 658 HA GLU 96 HA GLU 96 26.301 1.406 -5.971 659 1HB GLU 96 2HB GLU 96 26.221 1.165 -3.292 660 2HB GLU 96 1HB GLU 96 27.724 1.248 -4.199 661 1HG GLU 96 2HG GLU 96 26.646 3.855 -3.431 662 2HG GLU 96 1HG GLU 96 27.075 2.817 -2.074 663 H PHE 97 H PHE 97 24.332 0.845 -6.524 664 HA PHE 97 HA PHE 97 22.112 0.354 -6.391 665 1HB PHE 97 2HB PHE 97 22.431 0.096 -3.917 666 2HB PHE 97 1HB PHE 97 22.041 1.802 -3.737 667 HD1 PHE 97 1HD PHE 97 20.042 1.820 -2.583 668 HD2 PHE 97 2HD PHE 97 20.485 -0.739 -5.952 669 HE1 PHE 97 1HE PHE 97 17.652 1.265 -2.471 670 HE2 PHE 97 2HE PHE 97 18.093 -1.296 -5.848 671 HZ PHE 97 HZ PHE 97 16.674 -0.292 -4.106 672 H GLY 98 H GLY 98 22.139 1.798 -8.193 673 1HA GLY 98 1HA GLY 98 21.413 4.570 -7.726 674 2HA GLY 98 2HA GLY 98 21.766 3.828 -9.277 675 H ASP 99 H ASP 99 19.353 3.362 -6.701 676 HA ASP 99 HA ASP 99 17.269 3.100 -8.755 677 1HB ASP 99 2HB ASP 99 17.603 1.526 -6.660 678 2HB ASP 99 1HB ASP 99 16.752 2.812 -5.812 679 H GLU 100 H GLU 100 15.071 4.034 -7.603 680 HA GLU 100 HA GLU 100 15.629 6.856 -7.000 681 1HB GLU 100 2HB GLU 100 12.909 5.726 -7.655 682 2HB GLU 100 1HB GLU 100 13.445 7.396 -7.745 683 1HG GLU 100 2HG GLU 100 14.605 7.040 -9.738 684 2HG GLU 100 1HG GLU 100 14.606 5.290 -9.527 685 H ASP 101 H ASP 101 12.561 6.052 -6.125 686 HA ASP 101 HA ASP 101 12.773 4.449 -3.925 687 1HB ASP 101 2HB ASP 101 12.354 6.269 -2.092 688 2HB ASP 101 1HB ASP 101 13.993 5.847 -2.553 689 H GLU 102 H GLU 102 11.174 7.605 -4.249 690 HA GLU 102 HA GLU 102 8.659 6.487 -3.484 691 1HB GLU 102 2HB GLU 102 7.781 8.744 -3.848 692 2HB GLU 102 1HB GLU 102 9.251 8.769 -2.889 693 1HG GLU 102 2HG GLU 102 10.378 9.958 -4.412 694 2HG GLU 102 1HG GLU 102 9.674 9.079 -5.769 695 H ARG 103 H ARG 103 6.914 5.961 -4.662 696 HA ARG 103 HA ARG 103 7.208 6.112 -7.583 697 1HB ARG 103 2HB ARG 103 6.456 3.894 -5.796 698 2HB ARG 103 1HB ARG 103 5.446 4.070 -7.226 699 1HG ARG 103 2HG ARG 103 7.084 2.626 -7.956 700 2HG ARG 103 1HG ARG 103 7.699 4.189 -8.499 701 1HD ARG 103 2HD ARG 103 8.772 4.053 -6.017 702 2HD ARG 103 1HD ARG 103 8.739 2.346 -6.455 703 HE ARG 103 HE ARG 103 9.852 4.057 -8.496 704 1HH1 ARG 103 2HH1 ARG 103 10.513 2.175 -5.635 705 2HH1 ARG 103 1HH1 ARG 103 12.203 1.988 -5.963 706 1HH2 ARG 103 2HH2 ARG 103 12.090 3.843 -8.956 707 2HH2 ARG 103 1HH2 ARG 103 13.102 2.911 -7.882 708 H LEU 104 H LEU 104 4.271 4.801 -6.563 709 HA LEU 104 HA LEU 104 2.957 7.354 -7.173 710 1HB LEU 104 2HB LEU 104 1.260 6.160 -8.339 711 2HB LEU 104 1HB LEU 104 2.814 5.608 -8.923 712 HG LEU 104 HG LEU 104 1.196 4.065 -6.890 713 1HD1 LEU 104 1HD1 LEU 104 0.400 4.542 -9.478 714 2HD1 LEU 104 2HD1 LEU 104 1.249 2.999 -9.593 715 3HD1 LEU 104 3HD1 LEU 104 -0.096 3.182 -8.468 716 1HD2 LEU 104 1HD2 LEU 104 3.750 3.659 -8.294 717 2HD2 LEU 104 2HD2 LEU 104 3.180 3.010 -6.756 718 3HD2 LEU 104 3HD2 LEU 104 2.669 2.264 -8.271 719 H ILE 105 H ILE 105 2.184 8.219 -5.318 720 HA ILE 105 HA ILE 105 0.494 6.443 -3.675 721 HB ILE 105 HB ILE 105 2.312 8.615 -2.865 722 1HG1 ILE 105 2HG1 ILE 105 1.079 6.150 -1.667 723 1HG2 ILE 105 1HG2 ILE 105 -0.383 8.426 -1.503 724 2HG2 ILE 105 2HG2 ILE 105 0.964 9.476 -1.059 725 3HG2 ILE 105 3HG2 ILE 105 0.107 9.737 -2.577 726 1HD1 ILE 105 1HD1 ILE 105 1.441 6.717 0.430 727 2HD1 ILE 105 2HD1 ILE 105 3.093 7.202 0.049 728 3HD1 ILE 105 3HD1 ILE 105 1.777 8.366 -0.096 729 H THR 106 H THR 106 -1.599 6.819 -3.631 730 HA THR 106 HA THR 106 -2.611 9.396 -4.627 731 HB THR 106 HB THR 106 -3.563 6.605 -5.271 732 HG1 THR 106 1HG THR 106 -2.559 8.817 -6.682 733 1HG2 THR 106 1HG2 THR 106 -5.213 8.715 -6.387 734 2HG2 THR 106 2HG2 THR 106 -5.294 8.677 -4.625 735 3HG2 THR 106 3HG2 THR 106 -5.687 7.232 -5.558 736 H ARG 107 H ARG 107 -3.421 10.388 -2.884 737 HA ARG 107 HA ARG 107 -4.726 8.716 -0.835 738 1HB ARG 107 2HB ARG 107 -2.703 9.585 0.055 739 2HB ARG 107 1HB ARG 107 -3.004 11.182 -0.610 740 1HG ARG 107 2HG ARG 107 -5.057 10.268 1.263 741 2HG ARG 107 1HG ARG 107 -3.450 10.442 1.971 742 1HD ARG 107 2HD ARG 107 -3.769 12.704 0.387 743 2HD ARG 107 1HD ARG 107 -5.343 12.472 1.142 744 HE ARG 107 HE ARG 107 -4.224 12.562 3.301 745 1HH1 ARG 107 2HH1 ARG 107 -2.420 13.719 0.513 746 2HH1 ARG 107 1HH1 ARG 107 -1.376 14.731 1.468 747 1HH2 ARG 107 2HH2 ARG 107 -2.820 13.881 4.532 748 2HH2 ARG 107 1HH2 ARG 107 -1.604 14.833 3.728 749 H LEU 108 H LEU 108 -6.665 9.286 -0.016 750 HA LEU 108 HA LEU 108 -7.775 11.906 -0.599 751 1HB LEU 108 2HB LEU 108 -8.979 9.314 -1.520 752 2HB LEU 108 1HB LEU 108 -10.004 10.682 -1.134 753 HG LEU 108 HG LEU 108 -7.882 11.495 -2.908 754 1HD1 LEU 108 1HD1 LEU 108 -9.286 10.082 -4.773 755 2HD1 LEU 108 2HD1 LEU 108 -7.690 9.658 -4.157 756 3HD1 LEU 108 3HD1 LEU 108 -9.130 8.916 -3.459 757 1HD2 LEU 108 1HD2 LEU 108 -10.867 11.367 -3.310 758 2HD2 LEU 108 2HD2 LEU 108 -10.016 12.673 -2.488 759 3HD2 LEU 108 3HD2 LEU 108 -9.718 12.366 -4.198 760 H GLU 109 H GLU 109 -8.885 12.666 1.085 761 HA GLU 109 HA GLU 109 -9.299 10.799 3.319 762 1HB GLU 109 2HB GLU 109 -9.181 13.244 4.501 763 2HB GLU 109 1HB GLU 109 -7.805 12.172 4.295 764 1HG GLU 109 2HG GLU 109 -7.018 13.357 2.434 765 2HG GLU 109 1HG GLU 109 -8.537 14.226 2.241 766 H ASN 110 H ASN 110 -10.939 11.410 4.854 767 HA ASN 110 HA ASN 110 -13.361 11.189 4.720 768 1HB ASN 110 2HB ASN 110 -12.192 12.652 6.489 769 2HB ASN 110 1HB ASN 110 -12.816 14.018 5.566 770 1HD2 ASN 110 1HD2 ASN 110 -14.235 14.764 7.068 771 2HD2 ASN 110 2HD2 ASN 110 -15.639 13.883 7.585 772 H THR 111 H THR 111 -13.815 11.125 2.414 773 HA THR 111 HA THR 111 -14.780 11.871 0.472 774 HB THR 111 HB THR 111 -16.717 13.557 1.868 775 HG1 THR 111 1HG THR 111 -15.887 11.106 2.962 776 1HG2 THR 111 1HG2 THR 111 -17.690 12.729 0.006 777 2HG2 THR 111 2HG2 THR 111 -18.021 11.325 1.020 778 3HG2 THR 111 3HG2 THR 111 -16.620 11.330 -0.051 779 H GLN 112 H GLN 112 -12.591 13.427 0.743 780 HA GLN 112 HA GLN 112 -13.033 16.178 0.985 781 1HB GLN 112 2HB GLN 112 -10.831 14.470 -0.041 782 2HB GLN 112 1HB GLN 112 -10.804 16.171 -0.486 783 1HG GLN 112 2HG GLN 112 -11.273 15.553 2.361 784 2HG GLN 112 1HG GLN 112 -9.664 15.217 1.725 785 1HE2 GLN 112 1HE2 GLN 112 -8.910 16.858 3.161 786 2HE2 GLN 112 2HE2 GLN 112 -9.055 18.530 2.725 787 H PHE 113 H PHE 113 -13.812 14.130 -1.608 788 HA PHE 113 HA PHE 113 -13.784 16.334 -3.535 789 1HB PHE 113 2HB PHE 113 -14.186 14.620 -5.243 790 2HB PHE 113 1HB PHE 113 -12.761 14.242 -4.285 791 HD1 PHE 113 1HD PHE 113 -16.012 13.147 -5.362 792 HD2 PHE 113 2HD PHE 113 -12.909 12.466 -2.532 793 HE1 PHE 113 1HE PHE 113 -16.932 10.912 -4.897 794 HE2 PHE 113 2HE PHE 113 -13.821 10.233 -2.065 795 HZ PHE 113 HZ PHE 113 -15.836 9.453 -3.246 796 H ASP 114 H ASP 114 -15.785 15.459 -1.246 797 HA ASP 114 HA ASP 114 -18.136 16.400 -2.632 798 1HB ASP 114 2HB ASP 114 -17.957 13.825 -2.937 799 2HB ASP 114 1HB ASP 114 -18.387 13.745 -1.231 800 H ALA 115 H ALA 115 -19.794 15.149 -0.421 801 HA ALA 115 HA ALA 115 -19.311 17.191 1.580 802 1HB ALA 115 1HB ALA 115 -21.558 16.980 1.470 803 2HB ALA 115 2HB ALA 115 -21.481 15.302 0.933 804 3HB ALA 115 3HB ALA 115 -21.282 15.691 2.641 805 H ALA 116 H ALA 116 -17.815 16.877 3.082 806 HA ALA 116 HA ALA 116 -16.555 14.430 3.620 807 1HB ALA 116 1HB ALA 116 -16.621 17.015 5.160 808 2HB ALA 116 2HB ALA 116 -15.587 15.651 5.589 809 3HB ALA 116 3HB ALA 116 -15.384 16.458 4.034 810 H ASN 117 H ASN 117 -17.703 12.752 4.373 811 HA ASN 117 HA ASN 117 -19.159 13.147 6.902 812 1HB ASN 117 2HB ASN 117 -20.878 12.871 5.267 813 2HB ASN 117 1HB ASN 117 -20.020 11.544 4.490 814 1HD2 ASN 117 1HD2 ASN 117 -20.537 9.544 5.045 815 2HD2 ASN 117 2HD2 ASN 117 -21.473 9.094 6.439 816 H GLY 118 H GLY 118 -18.072 10.481 4.780 817 1HA GLY 118 1HA GLY 118 -16.002 9.490 6.199 818 2HA GLY 118 2HA GLY 118 -17.390 8.879 7.087 819 H ILE 119 H ILE 119 -18.240 7.016 6.459 820 HA ILE 119 HA ILE 119 -18.431 6.156 3.770 821 HB ILE 119 HB ILE 119 -15.917 5.870 4.377 822 1HG1 ILE 119 2HG1 ILE 119 -16.006 3.516 3.210 823 1HG2 ILE 119 1HG2 ILE 119 -16.492 4.732 6.562 824 2HG2 ILE 119 2HG2 ILE 119 -16.900 3.312 5.599 825 3HG2 ILE 119 3HG2 ILE 119 -15.259 3.956 5.568 826 1HD1 ILE 119 1HD1 ILE 119 -16.891 4.682 1.069 827 2HD1 ILE 119 2HD1 ILE 119 -16.823 6.137 2.063 828 3HD1 ILE 119 3HD1 ILE 119 -15.361 5.189 1.784 829 H ASP 120 H ASP 120 -19.287 3.907 3.641 830 HA ASP 120 HA ASP 120 -20.743 2.276 4.256 831 1HB ASP 120 2HB ASP 120 -18.847 2.073 6.101 832 2HB ASP 120 1HB ASP 120 -20.139 2.621 7.161 833 H ASP 121 H ASP 121 -21.618 4.945 4.041 834 HA ASP 121 HA ASP 121 -23.657 5.197 6.133 835 1HB ASP 121 2HB ASP 121 -23.838 7.509 5.531 836 2HB ASP 121 1HB ASP 121 -22.122 7.132 5.639 837 H GLU 122 H GLU 122 -25.708 6.410 5.153 838 HA GLU 122 HA GLU 122 -26.708 4.646 3.037 839 1HB GLU 122 2HB GLU 122 -28.046 6.292 5.170 840 2HB GLU 122 1HB GLU 122 -28.949 5.682 3.790 841 1HG GLU 122 2HG GLU 122 -29.310 3.884 5.044 842 2HG GLU 122 1HG GLU 122 -27.646 3.445 4.659 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -21.916 7.145 -8.566 2 2H GLY 1 2H GLY 1 -20.869 6.135 -9.437 3 3H GLY 1 3H GLY 1 -20.237 7.294 -8.375 4 1HA GLY 1 2HA GLY 1 -21.143 6.156 -6.483 5 2HA GLY 1 1HA GLY 1 -21.902 4.986 -7.554 6 H SER 2 H SER 2 -19.657 4.991 -5.402 7 HA SER 2 HA SER 2 -17.284 4.235 -6.729 8 1HB SER 2 2HB SER 2 -17.423 2.953 -4.183 9 2HB SER 2 1HB SER 2 -16.519 4.401 -4.631 10 HG SER 2 HG SER 2 -18.030 5.636 -3.788 11 H LEU 3 H LEU 3 -19.677 2.214 -5.014 12 HA LEU 3 HA LEU 3 -20.369 0.077 -5.277 13 1HB LEU 3 2HB LEU 3 -20.128 1.055 -7.865 14 2HB LEU 3 1HB LEU 3 -19.268 -0.472 -7.912 15 HG LEU 3 HG LEU 3 -21.493 -1.288 -6.657 16 1HD1 LEU 3 1HD1 LEU 3 -22.181 1.299 -7.277 17 2HD1 LEU 3 2HD1 LEU 3 -22.896 0.367 -8.593 18 3HD1 LEU 3 3HD1 LEU 3 -23.301 -0.015 -6.921 19 1HD2 LEU 3 1HD2 LEU 3 -22.156 -2.254 -8.700 20 2HD2 LEU 3 2HD2 LEU 3 -21.450 -0.939 -9.642 21 3HD2 LEU 3 3HD2 LEU 3 -20.403 -2.082 -8.802 22 H SER 4 H SER 4 -17.489 -0.127 -7.333 23 HA SER 4 HA SER 4 -16.453 -2.351 -5.816 24 1HB SER 4 2HB SER 4 -14.511 -1.210 -7.594 25 2HB SER 4 1HB SER 4 -15.378 -2.738 -7.755 26 HG SER 4 HG SER 4 -16.849 -1.814 -9.028 27 H TRP 5 H TRP 5 -15.528 -2.005 -3.924 28 HA TRP 5 HA TRP 5 -14.454 0.652 -3.387 29 1HB TRP 5 2HB TRP 5 -16.207 -0.957 -2.002 30 2HB TRP 5 1HB TRP 5 -14.700 -1.140 -1.105 31 HD1 TRP 5 HD TRP 5 -16.931 1.695 -2.454 32 HE1 TRP 5 1HE TRP 5 -16.773 3.692 -0.819 33 HE3 TRP 5 3HE TRP 5 -13.452 -0.200 0.742 34 HZ2 TRP 5 2HZ TRP 5 -15.344 4.347 1.527 35 HZ3 TRP 5 3HZ TRP 5 -12.733 1.169 2.659 36 HH2 TRP 5 HH TRP 5 -13.660 3.397 3.038 37 H LYS 6 H LYS 6 -13.162 -2.124 -4.373 38 HA LYS 6 HA LYS 6 -11.081 -3.038 -4.334 39 1HB LYS 6 2HB LYS 6 -10.416 -0.331 -3.162 40 2HB LYS 6 1HB LYS 6 -9.201 -1.520 -3.620 41 1HG LYS 6 2HG LYS 6 -10.788 -1.289 -5.871 42 2HG LYS 6 1HG LYS 6 -10.674 0.361 -5.255 43 1HD LYS 6 2HD LYS 6 -8.097 -0.730 -5.049 44 2HD LYS 6 1HD LYS 6 -8.704 -1.205 -6.637 45 1HE LYS 6 2HE LYS 6 -8.778 1.615 -5.571 46 2HE LYS 6 1HE LYS 6 -7.489 0.980 -6.593 47 1HZ LYS 6 1HZ LYS 6 -8.848 1.920 -8.145 48 2HZ LYS 6 2HZ LYS 6 -10.272 1.604 -7.285 49 3HZ LYS 6 3HZ LYS 6 -9.492 0.349 -8.125 50 H ARG 7 H ARG 7 -9.018 -2.568 -2.299 51 HA ARG 7 HA ARG 7 -10.200 -3.268 0.243 52 1HB ARG 7 2HB ARG 7 -9.272 -5.297 -1.644 53 2HB ARG 7 1HB ARG 7 -8.467 -5.405 -0.085 54 1HG ARG 7 2HG ARG 7 -11.410 -5.119 -0.065 55 2HG ARG 7 1HG ARG 7 -10.746 -6.653 -0.627 56 1HD ARG 7 2HD ARG 7 -10.877 -5.532 2.062 57 2HD ARG 7 1HD ARG 7 -10.710 -7.206 1.541 58 HE ARG 7 HE ARG 7 -8.564 -5.323 2.159 59 1HH1 ARG 7 2HH1 ARG 7 -9.510 -8.464 0.906 60 2HH1 ARG 7 1HH1 ARG 7 -7.936 -9.172 1.135 61 1HH2 ARG 7 2HH2 ARG 7 -6.490 -6.262 2.454 62 2HH2 ARG 7 1HH2 ARG 7 -6.228 -7.926 2.022 63 H CYS 8 H CYS 8 -8.735 -3.065 1.959 64 HA CYS 8 HA CYS 8 -6.296 -1.658 1.386 65 1HB CYS 8 2HB CYS 8 -7.596 -1.110 3.402 66 2HB CYS 8 1HB CYS 8 -7.344 -2.740 4.015 67 H ALA 9 H ALA 9 -4.425 -2.558 0.944 68 HA ALA 9 HA ALA 9 -4.068 -5.427 1.254 69 1HB ALA 9 1HB ALA 9 -2.119 -3.418 0.141 70 2HB ALA 9 2HB ALA 9 -2.095 -5.168 -0.071 71 3HB ALA 9 3HB ALA 9 -3.374 -4.207 -0.814 72 H GLY 10 H GLY 10 -3.696 -2.783 3.182 73 1HA GLY 10 1HA GLY 10 -1.177 -3.462 4.417 74 2HA GLY 10 2HA GLY 10 -2.332 -2.262 4.979 75 H CYS 11 H CYS 11 -4.610 -3.776 5.312 76 HA CYS 11 HA CYS 11 -3.757 -5.651 7.411 77 1HB CYS 11 2HB CYS 11 -6.099 -5.299 8.344 78 2HB CYS 11 1HB CYS 11 -4.997 -3.935 8.484 79 H GLY 12 H GLY 12 -7.041 -5.547 6.426 80 1HA GLY 12 1HA GLY 12 -6.943 -7.437 4.329 81 2HA GLY 12 2HA GLY 12 -7.208 -8.275 5.849 82 H GLY 13 H GLY 13 -8.464 -5.043 5.258 83 1HA GLY 13 1HA GLY 13 -11.082 -6.169 4.656 84 2HA GLY 13 2HA GLY 13 -10.924 -5.162 6.090 85 H LYS 14 H LYS 14 -12.244 -3.600 5.368 86 HA LYS 14 HA LYS 14 -11.389 -2.075 3.004 87 1HB LYS 14 2HB LYS 14 -13.984 -1.759 4.529 88 2HB LYS 14 1HB LYS 14 -13.571 -1.040 2.976 89 1HG LYS 14 2HG LYS 14 -13.427 -3.360 2.043 90 2HG LYS 14 1HG LYS 14 -14.084 -3.944 3.573 91 1HD LYS 14 2HD LYS 14 -16.114 -3.603 2.735 92 2HD LYS 14 1HD LYS 14 -15.782 -1.871 2.798 93 1HE LYS 14 2HE LYS 14 -16.421 -2.252 0.585 94 2HE LYS 14 1HE LYS 14 -14.661 -2.188 0.528 95 1HZ LYS 14 1HZ LYS 14 -16.417 -4.560 0.341 96 2HZ LYS 14 2HZ LYS 14 -14.774 -4.709 0.725 97 3HZ LYS 14 3HZ LYS 14 -15.239 -4.029 -0.757 98 H ILE 15 H ILE 15 -11.481 0.315 3.284 99 HA ILE 15 HA ILE 15 -10.131 0.921 5.783 100 HB ILE 15 HB ILE 15 -10.351 2.588 3.282 101 1HG1 ILE 15 2HG1 ILE 15 -8.449 0.430 4.146 102 1HG2 ILE 15 1HG2 ILE 15 -8.813 4.048 4.187 103 2HG2 ILE 15 2HG2 ILE 15 -9.759 3.613 5.611 104 3HG2 ILE 15 3HG2 ILE 15 -8.192 2.855 5.328 105 1HD1 ILE 15 1HD1 ILE 15 -7.114 2.537 3.754 106 2HD1 ILE 15 2HD1 ILE 15 -6.713 1.148 2.745 107 3HD1 ILE 15 3HD1 ILE 15 -7.681 2.467 2.087 108 H ALA 16 H ALA 16 -11.320 1.672 7.398 109 HA ALA 16 HA ALA 16 -13.760 3.140 6.925 110 1HB ALA 16 1HB ALA 16 -13.515 1.496 8.775 111 2HB ALA 16 2HB ALA 16 -12.376 2.600 9.547 112 3HB ALA 16 3HB ALA 16 -14.052 3.091 9.307 113 H ASP 17 H ASP 17 -10.470 3.857 7.323 114 HA ASP 17 HA ASP 17 -10.573 6.389 8.544 115 1HB ASP 17 2HB ASP 17 -8.592 4.841 7.037 116 2HB ASP 17 1HB ASP 17 -8.452 6.578 6.788 117 H ARG 18 H ARG 18 -10.741 8.431 7.749 118 HA ARG 18 HA ARG 18 -12.237 8.779 5.323 119 1HB ARG 18 2HB ARG 18 -12.416 10.158 7.487 120 2HB ARG 18 1HB ARG 18 -10.953 10.972 6.947 121 1HG ARG 18 2HG ARG 18 -12.053 11.782 4.983 122 2HG ARG 18 1HG ARG 18 -13.491 10.824 5.340 123 1HD ARG 18 2HD ARG 18 -12.445 13.243 6.769 124 2HD ARG 18 1HD ARG 18 -14.034 12.988 6.049 125 HE ARG 18 HE ARG 18 -13.125 11.549 8.459 126 1HH1 ARG 18 2HH1 ARG 18 -15.524 13.420 6.732 127 2HH1 ARG 18 1HH1 ARG 18 -16.758 13.179 7.935 128 1HH2 ARG 18 2HH2 ARG 18 -14.721 11.224 10.032 129 2HH2 ARG 18 1HH2 ARG 18 -16.307 11.918 9.815 130 H PHE 19 H PHE 19 -8.947 9.319 6.423 131 HA PHE 19 HA PHE 19 -8.192 10.272 3.753 132 1HB PHE 19 2HB PHE 19 -6.875 10.392 6.451 133 2HB PHE 19 1HB PHE 19 -5.906 10.553 4.991 134 HD1 PHE 19 1HD PHE 19 -5.214 12.794 5.491 135 HD2 PHE 19 2HD PHE 19 -9.345 11.819 5.185 136 HE1 PHE 19 1HE PHE 19 -5.771 15.189 5.386 137 HE2 PHE 19 2HE PHE 19 -9.907 14.209 5.079 138 HZ PHE 19 HZ PHE 19 -8.118 15.898 5.174 139 H LEU 20 H LEU 20 -8.252 8.394 2.591 140 HA LEU 20 HA LEU 20 -6.693 6.135 3.585 141 1HB LEU 20 2HB LEU 20 -8.016 4.740 2.334 142 2HB LEU 20 1HB LEU 20 -9.150 6.019 2.709 143 HG LEU 20 HG LEU 20 -7.814 6.610 0.229 144 1HD1 LEU 20 1HD1 LEU 20 -8.991 3.866 0.531 145 2HD1 LEU 20 2HD1 LEU 20 -8.930 4.697 -1.024 146 3HD1 LEU 20 3HD1 LEU 20 -7.437 4.329 -0.161 147 1HD2 LEU 20 1HD2 LEU 20 -10.084 6.748 -0.594 148 2HD2 LEU 20 2HD2 LEU 20 -10.684 5.909 0.836 149 3HD2 LEU 20 3HD2 LEU 20 -9.973 7.515 0.988 150 H LEU 21 H LEU 21 -5.933 4.838 1.369 151 HA LEU 21 HA LEU 21 -4.492 6.715 -0.325 152 1HB LEU 21 2HB LEU 21 -3.281 5.766 1.905 153 2HB LEU 21 1HB LEU 21 -2.844 4.521 0.747 154 HG LEU 21 HG LEU 21 -2.438 7.235 -0.263 155 1HD1 LEU 21 1HD1 LEU 21 -0.244 7.282 1.166 156 2HD1 LEU 21 2HD1 LEU 21 -1.743 7.969 1.789 157 3HD1 LEU 21 3HD1 LEU 21 -1.222 6.366 2.312 158 1HD2 LEU 21 1HD2 LEU 21 -1.417 4.593 -0.576 159 2HD2 LEU 21 2HD2 LEU 21 -1.130 6.019 -1.571 160 3HD2 LEU 21 3HD2 LEU 21 -0.085 5.682 -0.193 161 H TYR 22 H TYR 22 -3.895 5.901 -2.290 162 HA TYR 22 HA TYR 22 -4.874 3.191 -2.946 163 1HB TYR 22 2HB TYR 22 -4.446 5.635 -4.685 164 2HB TYR 22 1HB TYR 22 -4.778 4.040 -5.334 165 HD1 TYR 22 1HD TYR 22 -6.342 6.036 -2.555 166 HD2 TYR 22 2HD TYR 22 -6.866 4.001 -6.258 167 HE1 TYR 22 1HE TYR 22 -8.742 6.563 -2.502 168 HE2 TYR 22 2HE TYR 22 -9.266 4.525 -6.209 169 HH TYR 22 HH TYR 22 -10.664 6.638 -4.875 170 H ALA 23 H ALA 23 -3.231 1.730 -3.157 171 HA ALA 23 HA ALA 23 -0.933 2.520 -4.684 172 1HB ALA 23 1HB ALA 23 -0.297 1.324 -2.018 173 2HB ALA 23 2HB ALA 23 0.759 2.194 -3.128 174 3HB ALA 23 3HB ALA 23 -0.464 3.069 -2.209 175 H MET 24 H MET 24 -0.145 0.918 -5.865 176 HA MET 24 HA MET 24 0.086 -1.108 -6.843 177 1HB MET 24 2HB MET 24 -0.024 -1.757 -3.973 178 2HB MET 24 1HB MET 24 -0.432 -3.092 -5.043 179 1HG MET 24 2HG MET 24 1.771 -2.245 -6.270 180 2HG MET 24 1HG MET 24 2.136 -1.689 -4.639 181 1HE MET 24 1HE MET 24 1.956 -4.909 -2.549 182 2HE MET 24 2HE MET 24 3.092 -3.567 -2.670 183 3HE MET 24 3HE MET 24 1.357 -3.253 -2.655 184 H ASP 25 H ASP 25 -2.468 0.242 -6.802 185 HA ASP 25 HA ASP 25 -4.556 -0.063 -7.618 186 1HB ASP 25 2HB ASP 25 -3.195 -2.530 -8.422 187 2HB ASP 25 1HB ASP 25 -4.938 -2.710 -8.250 188 H SER 26 H SER 26 -3.634 -0.784 -4.821 189 HA SER 26 HA SER 26 -6.229 -1.828 -3.968 190 1HB SER 26 2HB SER 26 -3.829 -2.498 -2.316 191 2HB SER 26 1HB SER 26 -5.336 -3.396 -2.521 192 HG SER 26 HG SER 26 -3.715 -3.127 -4.771 193 H TYR 27 H TYR 27 -6.178 -1.428 -1.361 194 HA TYR 27 HA TYR 27 -5.566 1.439 -1.171 195 1HB TYR 27 2HB TYR 27 -7.672 -0.281 0.113 196 2HB TYR 27 1HB TYR 27 -7.279 1.317 0.729 197 HD1 TYR 27 1HD TYR 27 -6.726 1.755 -2.628 198 HD2 TYR 27 2HD TYR 27 -9.947 1.017 0.085 199 HE1 TYR 27 1HE TYR 27 -8.322 2.746 -4.218 200 HE2 TYR 27 2HE TYR 27 -11.527 2.011 -1.506 201 HH TYR 27 HH TYR 27 -10.794 3.944 -3.883 202 H TRP 28 H TRP 28 -4.990 2.254 0.978 203 HA TRP 28 HA TRP 28 -3.726 0.294 2.745 204 1HB TRP 28 2HB TRP 28 -2.290 2.612 1.436 205 2HB TRP 28 1HB TRP 28 -1.674 1.778 2.856 206 HD1 TRP 28 HD TRP 28 -2.364 1.204 -0.873 207 HE1 TRP 28 1HE TRP 28 -0.959 -0.792 -1.672 208 HE3 TRP 28 3HE TRP 28 -0.493 -0.299 3.634 209 HZ2 TRP 28 2HZ TRP 28 0.739 -2.755 -0.527 210 HZ3 TRP 28 3HZ TRP 28 1.013 -2.242 3.702 211 HH2 TRP 28 HH TRP 28 1.615 -3.444 1.666 212 H HIS 29 H HIS 29 -3.969 0.794 4.835 213 HA HIS 29 HA HIS 29 -5.517 3.093 5.586 214 1HB HIS 29 2HB HIS 29 -4.406 0.707 6.943 215 2HB HIS 29 1HB HIS 29 -4.623 2.129 7.953 216 HD2 HIS 29 2HD HIS 29 -7.410 3.113 7.835 217 HE1 HIS 29 1HE HIS 29 -8.756 -0.868 7.282 218 HE2 HIS 29 2HE HIS 29 -9.342 1.425 8.235 219 H SER 30 H SER 30 -4.667 4.254 7.693 220 HA SER 30 HA SER 30 -2.370 5.778 6.987 221 1HB SER 30 2HB SER 30 -3.678 5.634 9.708 222 2HB SER 30 1HB SER 30 -2.785 6.985 9.005 223 HG SER 30 HG SER 30 -5.417 6.184 8.618 224 H ARG 31 H ARG 31 -3.013 3.156 9.276 225 HA ARG 31 HA ARG 31 -0.189 3.124 10.042 226 1HB ARG 31 2HB ARG 31 -2.566 2.587 11.436 227 2HB ARG 31 1HB ARG 31 -1.743 1.041 11.278 228 1HG ARG 31 2HG ARG 31 -0.494 1.612 13.018 229 2HG ARG 31 1HG ARG 31 0.246 2.860 12.011 230 1HD ARG 31 2HD ARG 31 -0.828 3.536 14.268 231 2HD ARG 31 1HD ARG 31 -1.132 4.529 12.843 232 HE ARG 31 HE ARG 31 -3.039 2.528 13.881 233 1HH1 ARG 31 2HH1 ARG 31 -2.341 5.663 12.470 234 2HH1 ARG 31 1HH1 ARG 31 -4.021 6.102 12.308 235 1HH2 ARG 31 2HH2 ARG 31 -5.234 3.094 13.675 236 2HH2 ARG 31 1HH2 ARG 31 -5.670 4.629 12.973 237 H CYS 32 H CYS 32 -2.284 1.583 7.872 238 HA CYS 32 HA CYS 32 -0.931 -0.953 7.858 239 1HB CYS 32 2HB CYS 32 -3.034 0.290 6.108 240 2HB CYS 32 1HB CYS 32 -2.289 -1.254 5.708 241 H LEU 33 H LEU 33 -0.817 2.033 5.993 242 HA LEU 33 HA LEU 33 1.256 0.956 4.266 243 1HB LEU 33 2HB LEU 33 -0.382 2.672 3.446 244 2HB LEU 33 1HB LEU 33 0.381 3.830 4.521 245 HG LEU 33 HG LEU 33 2.382 3.846 3.283 246 1HD1 LEU 33 1HD1 LEU 33 2.482 1.349 3.036 247 2HD1 LEU 33 2HD1 LEU 33 1.426 1.516 1.633 248 3HD1 LEU 33 3HD1 LEU 33 3.024 2.266 1.630 249 1HD2 LEU 33 1HD2 LEU 33 0.158 4.730 2.177 250 2HD2 LEU 33 2HD2 LEU 33 1.701 4.779 1.321 251 3HD2 LEU 33 3HD2 LEU 33 0.542 3.490 0.983 252 H LYS 34 H LYS 34 2.691 0.320 5.853 253 HA LYS 34 HA LYS 34 4.299 2.514 6.941 254 1HB LYS 34 2HB LYS 34 4.088 1.834 9.080 255 2HB LYS 34 1HB LYS 34 2.682 0.941 8.523 256 1HG LYS 34 2HG LYS 34 5.381 -0.331 8.405 257 2HG LYS 34 1HG LYS 34 4.519 -0.236 9.942 258 1HD LYS 34 2HD LYS 34 2.832 -1.642 9.236 259 2HD LYS 34 1HD LYS 34 3.091 -1.266 7.531 260 1HE LYS 34 2HE LYS 34 4.157 -3.229 7.421 261 2HE LYS 34 1HE LYS 34 5.482 -2.420 8.269 262 1HZ LYS 34 1HZ LYS 34 4.474 -3.138 10.376 263 2HZ LYS 34 2HZ LYS 34 4.912 -4.448 9.396 264 3HZ LYS 34 3HZ LYS 34 3.283 -3.992 9.519 265 H CYS 35 H CYS 35 6.523 1.924 7.304 266 HA CYS 35 HA CYS 35 7.664 0.394 5.251 267 1HB CYS 35 2HB CYS 35 8.735 2.238 6.620 268 2HB CYS 35 1HB CYS 35 8.934 1.058 7.907 269 H SER 36 H SER 36 8.311 -1.707 5.151 270 HA SER 36 HA SER 36 7.386 -3.491 7.260 271 1HB SER 36 2HB SER 36 8.886 -4.319 4.779 272 2HB SER 36 1HB SER 36 7.740 -5.260 5.736 273 HG SER 36 HG SER 36 6.724 -2.922 4.685 274 H SER 37 H SER 37 10.005 -1.600 6.781 275 HA SER 37 HA SER 37 11.863 -3.559 7.913 276 1HB SER 37 2HB SER 37 13.073 -1.055 7.065 277 2HB SER 37 1HB SER 37 13.448 -2.705 6.567 278 HG SER 37 HG SER 37 11.517 -0.925 5.511 279 H CYS 38 H CYS 38 11.074 -0.064 8.237 280 HA CYS 38 HA CYS 38 12.064 -0.300 11.000 281 1HB CYS 38 2HB CYS 38 12.711 1.995 10.930 282 2HB CYS 38 1HB CYS 38 13.335 1.225 9.477 283 H GLN 39 H GLN 39 9.275 -0.185 9.342 284 HA GLN 39 HA GLN 39 7.107 0.112 9.886 285 1HB GLN 39 2HB GLN 39 8.020 0.710 12.701 286 2HB GLN 39 1HB GLN 39 6.409 0.209 12.189 287 1HG GLN 39 2HG GLN 39 8.880 -1.482 11.882 288 2HG GLN 39 1HG GLN 39 7.777 -1.577 13.253 289 1HE2 GLN 39 1HE2 GLN 39 8.554 -3.466 11.066 290 2HE2 GLN 39 2HE2 GLN 39 7.037 -4.013 10.420 291 H ALA 40 H ALA 40 8.935 2.440 9.235 292 HA ALA 40 HA ALA 40 8.005 4.775 10.427 293 1HB ALA 40 1HB ALA 40 9.062 4.234 7.658 294 2HB ALA 40 2HB ALA 40 8.662 5.850 8.243 295 3HB ALA 40 3HB ALA 40 9.928 4.913 9.037 296 H GLN 41 H GLN 41 6.158 5.710 10.360 297 HA GLN 41 HA GLN 41 3.924 4.530 9.075 298 1HB GLN 41 2HB GLN 41 4.239 6.131 11.255 299 2HB GLN 41 1HB GLN 41 3.583 7.278 10.092 300 1HG GLN 41 2HG GLN 41 1.849 6.225 11.459 301 2HG GLN 41 1HG GLN 41 1.654 5.883 9.741 302 1HE2 GLN 41 1HE2 GLN 41 1.525 3.842 9.103 303 2HE2 GLN 41 2HE2 GLN 41 1.807 2.461 10.108 304 H LEU 42 H LEU 42 4.787 4.632 6.943 305 HA LEU 42 HA LEU 42 5.388 6.813 5.436 306 1HB LEU 42 2HB LEU 42 3.936 4.307 4.604 307 2HB LEU 42 1HB LEU 42 4.684 5.437 3.497 308 HG LEU 42 HG LEU 42 6.125 3.815 5.591 309 1HD1 LEU 42 1HD1 LEU 42 7.165 2.843 3.447 310 2HD1 LEU 42 2HD1 LEU 42 5.561 2.294 3.934 311 3HD1 LEU 42 3HD1 LEU 42 5.732 3.484 2.644 312 1HD2 LEU 42 1HD2 LEU 42 7.463 5.335 3.399 313 2HD2 LEU 42 2HD2 LEU 42 6.988 6.170 4.878 314 3HD2 LEU 42 3HD2 LEU 42 8.102 4.806 4.955 315 H GLY 43 H GLY 43 2.139 5.488 5.987 316 1HA GLY 43 1HA GLY 43 0.985 7.660 4.410 317 2HA GLY 43 2HA GLY 43 0.121 6.272 5.052 318 H ASP 44 H ASP 44 2.203 8.632 6.718 319 HA ASP 44 HA ASP 44 -0.075 9.914 7.935 320 1HB ASP 44 2HB ASP 44 0.420 7.752 9.267 321 2HB ASP 44 1HB ASP 44 1.834 8.618 9.862 322 H ILE 45 H ILE 45 3.452 9.433 8.329 323 HA ILE 45 HA ILE 45 3.728 12.229 9.103 324 HB ILE 45 HB ILE 45 6.177 11.629 9.327 325 1HG1 ILE 45 2HG1 ILE 45 5.530 8.770 9.486 326 1HG2 ILE 45 1HG2 ILE 45 5.581 9.989 11.318 327 2HG2 ILE 45 2HG2 ILE 45 5.165 11.703 11.366 328 3HG2 ILE 45 3HG2 ILE 45 3.941 10.510 10.924 329 1HD1 ILE 45 1HD1 ILE 45 7.826 10.419 9.022 330 2HD1 ILE 45 2HD1 ILE 45 7.735 8.711 9.457 331 3HD1 ILE 45 3HD1 ILE 45 7.676 9.193 7.761 332 H GLY 46 H GLY 46 2.811 12.208 6.617 333 1HA GLY 46 1HA GLY 46 3.675 13.754 4.885 334 2HA GLY 46 2HA GLY 46 5.166 12.820 4.940 335 H THR 47 H THR 47 4.871 12.461 2.624 336 HA THR 47 HA THR 47 3.121 10.143 2.221 337 HB THR 47 HB THR 47 2.939 11.211 -0.234 338 HG1 THR 47 1HG THR 47 2.810 13.486 1.489 339 1HG2 THR 47 1HG2 THR 47 0.837 10.834 0.411 340 2HG2 THR 47 2HG2 THR 47 0.838 12.463 1.085 341 3HG2 THR 47 3HG2 THR 47 1.244 11.086 2.109 342 H SER 48 H SER 48 4.632 8.607 2.019 343 HA SER 48 HA SER 48 6.244 8.553 -0.361 344 1HB SER 48 2HB SER 48 7.845 8.088 2.134 345 2HB SER 48 1HB SER 48 8.390 8.588 0.536 346 HG SER 48 HG SER 48 7.043 10.598 1.187 347 H SER 49 H SER 49 6.973 6.435 -0.830 348 HA SER 49 HA SER 49 6.924 4.308 0.977 349 1HB SER 49 2HB SER 49 4.951 3.059 -0.028 350 2HB SER 49 1HB SER 49 4.531 4.417 1.015 351 HG SER 49 HG SER 49 3.848 4.025 -1.511 352 H TYR 50 H TYR 50 7.572 2.358 0.050 353 HA TYR 50 HA TYR 50 8.094 2.362 -2.826 354 1HB TYR 50 2HB TYR 50 10.087 2.577 -0.690 355 2HB TYR 50 1HB TYR 50 10.403 1.266 -1.824 356 HD1 TYR 50 1HD TYR 50 10.387 4.875 -1.337 357 HD2 TYR 50 2HD TYR 50 10.670 1.757 -4.229 358 HE1 TYR 50 1HE TYR 50 11.318 6.455 -2.947 359 HE2 TYR 50 2HE TYR 50 11.610 3.344 -5.847 360 HH TYR 50 HH TYR 50 12.946 6.119 -5.128 361 H THR 51 H THR 51 8.308 0.301 -3.727 362 HA THR 51 HA THR 51 7.867 -1.961 -1.911 363 HB THR 51 HB THR 51 6.248 -1.619 -4.435 364 HG1 THR 51 1HG THR 51 5.858 -0.636 -1.866 365 1HG2 THR 51 1HG2 THR 51 6.227 -3.572 -2.146 366 2HG2 THR 51 2HG2 THR 51 6.351 -3.904 -3.875 367 3HG2 THR 51 3HG2 THR 51 4.823 -3.346 -3.190 368 H LYS 52 H LYS 52 9.502 -3.247 -2.235 369 HA LYS 52 HA LYS 52 10.036 -4.313 -4.848 370 1HB LYS 52 2HB LYS 52 11.794 -2.285 -3.688 371 2HB LYS 52 1HB LYS 52 12.638 -3.788 -4.032 372 1HG LYS 52 2HG LYS 52 12.249 -3.638 -6.310 373 2HG LYS 52 1HG LYS 52 10.895 -2.524 -6.108 374 1HD LYS 52 2HD LYS 52 12.292 -0.705 -5.717 375 2HD LYS 52 1HD LYS 52 13.660 -1.728 -5.277 376 1HE LYS 52 2HE LYS 52 14.328 -1.960 -7.406 377 2HE LYS 52 1HE LYS 52 12.680 -2.128 -8.006 378 1HZ LYS 52 1HZ LYS 52 14.062 0.414 -7.332 379 2HZ LYS 52 2HZ LYS 52 12.434 0.296 -7.790 380 3HZ LYS 52 3HZ LYS 52 13.656 -0.139 -8.885 381 H SER 53 H SER 53 11.231 -6.285 -4.708 382 HA SER 53 HA SER 53 11.864 -8.256 -3.761 383 1HB SER 53 2HB SER 53 12.404 -6.393 -1.461 384 2HB SER 53 1HB SER 53 12.580 -8.137 -1.271 385 HG SER 53 HG SER 53 14.476 -7.887 -2.120 386 H GLY 54 H GLY 54 9.075 -6.879 -3.369 387 1HA GLY 54 1HA GLY 54 7.045 -7.811 -2.731 388 2HA GLY 54 2HA GLY 54 7.918 -9.119 -1.942 389 H MET 55 H MET 55 9.274 -6.264 -0.959 390 HA MET 55 HA MET 55 7.505 -6.134 1.385 391 1HB MET 55 2HB MET 55 9.652 -5.095 2.487 392 2HB MET 55 1HB MET 55 9.440 -6.835 2.403 393 1HG MET 55 2HG MET 55 10.767 -6.008 0.041 394 2HG MET 55 1HG MET 55 11.573 -5.248 1.416 395 1HE MET 55 1HE MET 55 13.709 -6.902 2.659 396 2HE MET 55 2HE MET 55 14.126 -7.822 1.215 397 3HE MET 55 3HE MET 55 13.592 -6.147 1.070 398 H ILE 56 H ILE 56 7.607 -4.011 2.496 399 HA ILE 56 HA ILE 56 7.587 -1.842 0.502 400 HB ILE 56 HB ILE 56 5.742 -2.472 2.772 401 1HG1 ILE 56 2HG1 ILE 56 4.260 -1.259 0.879 402 1HG2 ILE 56 1HG2 ILE 56 6.455 0.296 1.857 403 2HG2 ILE 56 2HG2 ILE 56 4.876 -0.080 2.552 404 3HG2 ILE 56 3HG2 ILE 56 6.342 -0.331 3.502 405 1HD1 ILE 56 1HD1 ILE 56 5.044 -4.028 0.186 406 2HD1 ILE 56 2HD1 ILE 56 4.307 -3.739 1.763 407 3HD1 ILE 56 3HD1 ILE 56 3.444 -3.288 0.291 408 H LEU 57 H LEU 57 8.727 -0.035 0.937 409 HA LEU 57 HA LEU 57 10.137 0.081 3.523 410 1HB LEU 57 2HB LEU 57 11.419 0.989 0.976 411 2HB LEU 57 1HB LEU 57 12.178 0.536 2.489 412 HG LEU 57 HG LEU 57 10.712 -1.573 0.996 413 1HD1 LEU 57 1HD1 LEU 57 11.863 -0.725 -0.842 414 2HD1 LEU 57 2HD1 LEU 57 13.271 -0.284 0.125 415 3HD1 LEU 57 3HD1 LEU 57 12.934 -1.981 -0.218 416 1HD2 LEU 57 1HD2 LEU 57 11.592 -2.439 2.919 417 2HD2 LEU 57 2HD2 LEU 57 12.944 -2.712 1.819 418 3HD2 LEU 57 3HD2 LEU 57 12.965 -1.333 2.920 419 H CYS 58 H CYS 58 11.202 2.224 3.842 420 HA CYS 58 HA CYS 58 9.358 4.383 3.195 421 1HB CYS 58 2HB CYS 58 10.883 5.702 4.731 422 2HB CYS 58 1HB CYS 58 10.029 4.364 5.496 423 H ARG 59 H ARG 59 10.922 6.534 2.987 424 HA ARG 59 HA ARG 59 12.185 6.270 0.430 425 1HB ARG 59 2HB ARG 59 11.251 8.386 0.793 426 2HB ARG 59 1HB ARG 59 11.893 8.496 2.425 427 1HG ARG 59 2HG ARG 59 13.543 9.731 1.624 428 2HG ARG 59 1HG ARG 59 14.127 8.310 0.753 429 1HD ARG 59 2HD ARG 59 12.495 8.919 -1.076 430 2HD ARG 59 1HD ARG 59 12.263 10.454 -0.235 431 HE ARG 59 HE ARG 59 14.467 9.726 -1.898 432 1HH1 ARG 59 2HH1 ARG 59 13.623 11.633 0.945 433 2HH1 ARG 59 1HH1 ARG 59 14.965 12.719 0.758 434 1HH2 ARG 59 2HH2 ARG 59 16.224 11.166 -2.122 435 2HH2 ARG 59 1HH2 ARG 59 16.435 12.461 -0.974 436 H ASN 60 H ASN 60 13.269 6.643 3.771 437 HA ASN 60 HA ASN 60 16.039 6.767 3.215 438 1HB ASN 60 2HB ASN 60 14.506 7.150 5.430 439 2HB ASN 60 1HB ASN 60 15.226 5.586 5.792 440 1HD2 ASN 60 1HD2 ASN 60 15.578 8.721 6.349 441 2HD2 ASN 60 2HD2 ASN 60 17.296 8.833 6.516 442 H ASP 61 H ASP 61 13.947 4.067 4.233 443 HA ASP 61 HA ASP 61 16.065 2.208 4.384 444 1HB ASP 61 2HB ASP 61 13.138 2.099 4.629 445 2HB ASP 61 1HB ASP 61 13.866 0.617 4.021 446 H TYR 62 H TYR 62 14.044 3.221 1.717 447 HA TYR 62 HA TYR 62 14.536 1.029 0.016 448 1HB TYR 62 2HB TYR 62 12.816 2.604 -0.596 449 2HB TYR 62 1HB TYR 62 13.985 3.921 -0.674 450 HD1 TYR 62 1HD TYR 62 13.214 0.615 -2.204 451 HD2 TYR 62 2HD TYR 62 15.004 4.440 -2.714 452 HE1 TYR 62 1HE TYR 62 13.645 0.095 -4.566 453 HE2 TYR 62 2HE TYR 62 15.438 3.930 -5.079 454 HH TYR 62 HH TYR 62 15.721 1.397 -6.400 455 H ILE 63 H ILE 63 16.209 4.181 0.219 456 HA ILE 63 HA ILE 63 18.144 3.487 -1.713 457 HB ILE 63 HB ILE 63 18.992 5.461 0.309 458 1HG1 ILE 63 2HG1 ILE 63 16.431 5.667 0.090 459 1HG2 ILE 63 1HG2 ILE 63 20.195 5.090 -1.790 460 2HG2 ILE 63 2HG2 ILE 63 18.753 5.556 -2.697 461 3HG2 ILE 63 3HG2 ILE 63 19.577 6.739 -1.680 462 1HD1 ILE 63 1HD1 ILE 63 17.055 7.065 -2.478 463 2HD1 ILE 63 2HD1 ILE 63 16.491 5.395 -2.440 464 3HD1 ILE 63 3HD1 ILE 63 15.484 6.679 -1.773 465 H ARG 64 H ARG 64 17.925 2.978 1.709 466 HA ARG 64 HA ARG 64 20.659 2.280 2.128 467 1HB ARG 64 2HB ARG 64 18.249 2.450 3.696 468 2HB ARG 64 1HB ARG 64 19.069 0.929 4.025 469 1HG ARG 64 2HG ARG 64 20.654 1.938 5.210 470 2HG ARG 64 1HG ARG 64 20.910 3.163 3.963 471 1HD ARG 64 2HD ARG 64 18.914 4.362 4.792 472 2HD ARG 64 1HD ARG 64 18.769 3.174 6.088 473 HE ARG 64 HE ARG 64 21.095 4.974 5.762 474 1HH1 ARG 64 2HH1 ARG 64 18.753 3.298 7.768 475 2HH1 ARG 64 1HH1 ARG 64 19.445 3.869 9.264 476 1HH2 ARG 64 2HH2 ARG 64 22.006 5.716 7.732 477 2HH2 ARG 64 1HH2 ARG 64 21.296 5.220 9.242 478 H LEU 65 H LEU 65 17.697 0.423 1.549 479 HA LEU 65 HA LEU 65 18.967 -2.109 1.700 480 1HB LEU 65 2HB LEU 65 16.307 -1.066 1.243 481 2HB LEU 65 1HB LEU 65 16.642 -2.415 0.174 482 HG LEU 65 HG LEU 65 17.408 -3.621 2.355 483 1HD1 LEU 65 1HD1 LEU 65 16.315 -1.124 3.358 484 2HD1 LEU 65 2HD1 LEU 65 15.523 -2.538 4.054 485 3HD1 LEU 65 3HD1 LEU 65 17.273 -2.354 4.187 486 1HD2 LEU 65 1HD2 LEU 65 14.705 -3.776 2.780 487 2HD2 LEU 65 2HD2 LEU 65 14.809 -3.243 1.101 488 3HD2 LEU 65 3HD2 LEU 65 15.620 -4.724 1.608 489 H PHE 66 H PHE 66 17.536 -0.451 -1.118 490 HA PHE 66 HA PHE 66 19.197 -2.166 -2.830 491 1HB PHE 66 2HB PHE 66 16.734 -0.622 -3.645 492 2HB PHE 66 1HB PHE 66 17.529 -1.919 -4.534 493 HD1 PHE 66 1HD PHE 66 17.826 -4.113 -2.920 494 HD2 PHE 66 2HD PHE 66 14.736 -1.198 -2.707 495 HE1 PHE 66 1HE PHE 66 16.366 -5.748 -1.806 496 HE2 PHE 66 2HE PHE 66 13.270 -2.830 -1.595 497 HZ PHE 66 HZ PHE 66 14.085 -5.104 -1.140 498 H GLY 67 H GLY 67 18.170 1.193 -2.409 499 1HA GLY 67 1HA GLY 67 19.663 3.008 -2.773 500 2HA GLY 67 2HA GLY 67 20.592 1.986 -3.856 501 H ASN 68 H ASN 68 19.719 4.634 -4.380 502 HA ASN 68 HA ASN 68 17.501 4.518 -6.219 503 1HB ASN 68 2HB ASN 68 18.149 6.585 -4.938 504 2HB ASN 68 1HB ASN 68 19.598 6.682 -5.928 505 1HD2 ASN 68 1HD2 ASN 68 16.426 7.658 -5.610 506 2HD2 ASN 68 2HD2 ASN 68 16.175 8.232 -7.223 507 H SER 69 H SER 69 17.755 3.359 -8.010 508 HA SER 69 HA SER 69 20.255 2.662 -9.061 509 1HB SER 69 2HB SER 69 18.161 2.273 -10.989 510 2HB SER 69 1HB SER 69 19.010 1.073 -10.015 511 HG SER 69 HG SER 69 16.501 1.951 -9.761 512 H GLY 70 H GLY 70 18.483 5.502 -9.500 513 1HA GLY 70 1HA GLY 70 19.409 7.369 -10.557 514 2HA GLY 70 2HA GLY 70 20.398 6.303 -11.536 515 H ALA 71 H ALA 71 17.076 5.508 -11.431 516 HA ALA 71 HA ALA 71 16.771 6.169 -14.226 517 1HB ALA 71 1HB ALA 71 14.446 5.224 -12.656 518 2HB ALA 71 2HB ALA 71 15.024 4.723 -14.244 519 3HB ALA 71 3HB ALA 71 15.823 4.129 -12.788 520 H GLY 72 H GLY 72 17.069 8.516 -13.729 521 1HA GLY 72 1HA GLY 72 15.204 10.203 -14.290 522 2HA GLY 72 2HA GLY 72 14.629 9.781 -12.685 523 H GLY 73 H GLY 73 15.101 12.349 -13.067 524 1HA GLY 73 1HA GLY 73 17.780 12.849 -11.926 525 2HA GLY 73 2HA GLY 73 16.839 14.032 -12.828 526 H SER 74 H SER 74 14.877 12.207 -10.828 527 HA SER 74 HA SER 74 14.077 14.357 -9.237 528 1HB SER 74 2HB SER 74 13.599 11.748 -8.023 529 2HB SER 74 1HB SER 74 12.442 12.925 -8.646 530 HG SER 74 HG SER 74 12.263 11.146 -9.937 531 H GLY 75 H GLY 75 14.872 15.214 -7.423 532 1HA GLY 75 1HA GLY 75 16.015 15.385 -5.415 533 2HA GLY 75 2HA GLY 75 16.369 13.665 -5.507 534 H GLY 76 H GLY 76 17.261 16.790 -6.911 535 1HA GLY 76 1HA GLY 76 19.646 15.819 -8.123 536 2HA GLY 76 2HA GLY 76 19.187 17.503 -7.934 537 H HIS 77 H HIS 77 20.179 14.797 -5.850 538 HA HIS 77 HA HIS 77 22.591 16.027 -5.057 539 1HB HIS 77 2HB HIS 77 20.679 17.280 -3.723 540 2HB HIS 77 1HB HIS 77 20.734 15.841 -2.709 541 HD1 HIS 77 1HD HIS 77 22.948 18.687 -3.876 542 HD2 HIS 77 2HD HIS 77 22.811 15.767 -0.915 543 HE1 HIS 77 1HE HIS 77 24.858 19.200 -2.324 544 HE2 HIS 77 2HE HIS 77 24.895 17.285 -0.689 545 H MET 78 H MET 78 23.731 14.708 -3.414 546 HA MET 78 HA MET 78 23.673 12.020 -4.012 547 1HB MET 78 2HB MET 78 25.200 13.701 -2.369 548 2HB MET 78 1HB MET 78 24.637 12.409 -1.320 549 1HG MET 78 2HG MET 78 25.438 10.954 -3.415 550 2HG MET 78 1HG MET 78 26.523 12.334 -3.578 551 1HE MET 78 1HE MET 78 28.966 11.647 -2.762 552 2HE MET 78 2HE MET 78 29.090 10.080 -1.963 553 3HE MET 78 3HE MET 78 28.173 10.237 -3.462 554 H GLY 79 H GLY 79 22.046 10.682 -3.746 555 1HA GLY 79 1HA GLY 79 21.071 9.446 -1.626 556 2HA GLY 79 2HA GLY 79 20.251 10.996 -1.462 557 H SER 80 H SER 80 20.072 11.380 -4.360 558 HA SER 80 HA SER 80 18.235 9.226 -5.117 559 1HB SER 80 2HB SER 80 17.608 12.177 -5.380 560 2HB SER 80 1HB SER 80 16.580 10.846 -5.912 561 HG SER 80 HG SER 80 16.158 10.298 -3.841 562 H GLY 81 H GLY 81 17.499 11.022 -7.495 563 1HA GLY 81 1HA GLY 81 19.660 10.051 -9.175 564 2HA GLY 81 2HA GLY 81 18.147 10.759 -9.719 565 H GLY 82 H GLY 82 20.838 11.904 -7.686 566 1HA GLY 82 1HA GLY 82 20.736 14.496 -8.990 567 2HA GLY 82 2HA GLY 82 21.764 14.046 -7.639 568 H ASP 83 H ASP 83 21.317 13.143 -11.058 569 HA ASP 83 HA ASP 83 24.254 13.082 -11.308 570 1HB ASP 83 2HB ASP 83 22.712 10.964 -11.709 571 2HB ASP 83 1HB ASP 83 22.488 11.710 -13.286 572 H VAL 84 H VAL 84 25.207 14.060 -13.074 573 HA VAL 84 HA VAL 84 23.795 16.291 -14.198 574 HB VAL 84 HB VAL 84 26.526 15.211 -14.924 575 1HG1 VAL 84 1HG1 VAL 84 26.943 17.421 -15.841 576 2HG1 VAL 84 2HG1 VAL 84 25.550 16.680 -16.629 577 3HG1 VAL 84 3HG1 VAL 84 25.311 17.929 -15.407 578 1HG2 VAL 84 1HG2 VAL 84 26.299 17.656 -13.302 579 2HG2 VAL 84 2HG2 VAL 84 25.820 16.165 -12.489 580 3HG2 VAL 84 3HG2 VAL 84 27.435 16.310 -13.181 581 H MET 85 H MET 85 25.573 13.650 -15.802 582 HA MET 85 HA MET 85 23.767 13.872 -18.094 583 1HB MET 85 2HB MET 85 26.500 13.393 -17.887 584 2HB MET 85 1HB MET 85 25.823 11.816 -18.277 585 1HG MET 85 2HG MET 85 26.542 13.264 -20.221 586 2HG MET 85 1HG MET 85 24.919 12.579 -20.297 587 1HE MET 85 1HE MET 85 25.853 16.756 -18.823 588 2HE MET 85 2HE MET 85 26.915 15.347 -18.866 589 3HE MET 85 3HE MET 85 26.745 16.370 -20.293 590 H VAL 86 H VAL 86 21.953 13.012 -16.981 591 HA VAL 86 HA VAL 86 21.954 10.473 -15.744 592 HB VAL 86 HB VAL 86 19.373 10.702 -16.255 593 1HG1 VAL 86 1HG1 VAL 86 21.146 11.840 -14.246 594 2HG1 VAL 86 2HG1 VAL 86 19.595 12.672 -14.363 595 3HG1 VAL 86 3HG1 VAL 86 19.642 10.938 -14.053 596 1HG2 VAL 86 1HG2 VAL 86 18.671 12.558 -17.263 597 2HG2 VAL 86 2HG2 VAL 86 19.592 13.568 -16.149 598 3HG2 VAL 86 3HG2 VAL 86 20.355 12.950 -17.614 599 H VAL 87 H VAL 87 22.161 8.566 -16.687 600 HA VAL 87 HA VAL 87 21.580 8.280 -19.534 601 HB VAL 87 HB VAL 87 22.587 6.047 -17.796 602 1HG1 VAL 87 1HG1 VAL 87 21.903 5.624 -20.141 603 2HG1 VAL 87 2HG1 VAL 87 23.143 6.761 -20.672 604 3HG1 VAL 87 3HG1 VAL 87 23.606 5.279 -19.837 605 1HG2 VAL 87 1HG2 VAL 87 24.426 8.018 -19.128 606 2HG2 VAL 87 2HG2 VAL 87 23.921 8.198 -17.448 607 3HG2 VAL 87 3HG2 VAL 87 24.821 6.768 -17.949 608 H GLY 88 H GLY 88 20.520 7.088 -16.405 609 1HA GLY 88 1HA GLY 88 18.491 5.347 -17.522 610 2HA GLY 88 2HA GLY 88 18.709 5.753 -15.822 611 H GLU 89 H GLU 89 17.070 6.468 -18.727 612 HA GLU 89 HA GLU 89 15.375 7.842 -19.306 613 1HB GLU 89 2HB GLU 89 14.631 6.972 -16.891 614 2HB GLU 89 1HB GLU 89 14.805 8.681 -16.513 615 1HG GLU 89 2HG GLU 89 12.508 7.801 -17.248 616 2HG GLU 89 1HG GLU 89 13.102 9.309 -17.941 617 HA PRO 90 HA PRO 90 18.196 11.496 -18.890 618 1HB PRO 90 2HB PRO 90 17.657 11.658 -21.780 619 2HB PRO 90 1HB PRO 90 19.204 11.629 -20.929 620 1HG PRO 90 2HG PRO 90 18.361 9.536 -22.375 621 2HG PRO 90 1HG PRO 90 19.285 9.322 -20.877 622 1HD PRO 90 2HD PRO 90 16.336 9.067 -21.333 623 2HD PRO 90 1HD PRO 90 17.420 8.034 -20.378 624 H THR 91 H THR 91 15.042 10.855 -20.025 625 HA THR 91 HA THR 91 14.181 13.484 -20.658 626 HB THR 91 HB THR 91 12.258 11.518 -19.521 627 HG1 THR 91 1HG THR 91 12.888 9.957 -20.797 628 1HG2 THR 91 1HG2 THR 91 12.160 13.803 -21.163 629 2HG2 THR 91 2HG2 THR 91 10.823 12.750 -20.695 630 3HG2 THR 91 3HG2 THR 91 11.716 12.436 -22.184 631 H LEU 92 H LEU 92 14.631 14.990 -19.124 632 HA LEU 92 HA LEU 92 14.643 14.567 -16.371 633 1HB LEU 92 2HB LEU 92 15.042 16.762 -18.152 634 2HB LEU 92 1HB LEU 92 14.007 17.294 -16.839 635 HG LEU 92 HG LEU 92 15.692 16.543 -15.209 636 1HD1 LEU 92 1HD1 LEU 92 16.632 14.952 -17.206 637 2HD1 LEU 92 2HD1 LEU 92 17.820 16.255 -17.201 638 3HD1 LEU 92 3HD1 LEU 92 17.509 15.340 -15.726 639 1HD2 LEU 92 1HD2 LEU 92 16.806 18.375 -17.330 640 2HD2 LEU 92 2HD2 LEU 92 15.708 18.850 -16.034 641 3HD2 LEU 92 3HD2 LEU 92 17.333 18.282 -15.650 642 H MET 93 H MET 93 12.034 15.478 -18.501 643 HA MET 93 HA MET 93 10.201 15.866 -16.274 644 1HB MET 93 2HB MET 93 10.258 16.789 -18.901 645 2HB MET 93 1HB MET 93 8.969 15.594 -18.896 646 1HG MET 93 2HG MET 93 9.188 17.925 -17.006 647 2HG MET 93 1HG MET 93 8.161 17.860 -18.437 648 1HE MET 93 1HE MET 93 7.015 18.745 -15.902 649 2HE MET 93 2HE MET 93 5.759 18.283 -17.051 650 3HE MET 93 3HE MET 93 5.688 17.701 -15.388 651 H GLY 94 H GLY 94 10.987 13.578 -15.676 652 1HA GLY 94 1HA GLY 94 8.894 11.759 -15.899 653 2HA GLY 94 2HA GLY 94 10.054 11.356 -17.158 654 H GLY 95 H GLY 95 10.477 9.354 -16.143 655 1HA GLY 95 1HA GLY 95 12.338 8.304 -15.022 656 2HA GLY 95 2HA GLY 95 12.302 9.608 -13.841 657 H GLU 96 H GLU 96 12.286 6.833 -13.216 658 HA GLU 96 HA GLU 96 9.590 6.051 -12.600 659 1HB GLU 96 2HB GLU 96 12.116 4.780 -12.739 660 2HB GLU 96 1HB GLU 96 11.519 4.553 -11.099 661 1HG GLU 96 2HG GLU 96 10.769 2.705 -12.354 662 2HG GLU 96 1HG GLU 96 9.368 3.742 -12.099 663 H PHE 97 H PHE 97 12.304 7.404 -10.833 664 HA PHE 97 HA PHE 97 11.017 7.321 -8.270 665 1HB PHE 97 2HB PHE 97 13.335 9.063 -9.148 666 2HB PHE 97 1HB PHE 97 12.885 8.663 -7.494 667 HD1 PHE 97 1HD PHE 97 13.527 6.572 -6.505 668 HD2 PHE 97 2HD PHE 97 14.342 7.359 -10.606 669 HE1 PHE 97 1HE PHE 97 14.990 4.603 -6.588 670 HE2 PHE 97 2HE PHE 97 15.810 5.388 -10.689 671 HZ PHE 97 HZ PHE 97 16.134 4.006 -8.681 672 H GLY 98 H GLY 98 9.641 8.764 -7.414 673 1HA GLY 98 1HA GLY 98 8.412 10.567 -9.258 674 2HA GLY 98 2HA GLY 98 7.896 10.252 -7.611 675 H ASP 99 H ASP 99 8.377 11.681 -6.030 676 HA ASP 99 HA ASP 99 9.031 14.321 -6.830 677 1HB ASP 99 2HB ASP 99 7.593 13.472 -4.816 678 2HB ASP 99 1HB ASP 99 9.133 13.444 -3.960 679 H GLU 100 H GLU 100 10.633 12.633 -4.177 680 HA GLU 100 HA GLU 100 13.237 13.460 -5.291 681 1HB GLU 100 2HB GLU 100 12.399 12.698 -2.491 682 2HB GLU 100 1HB GLU 100 14.085 12.746 -2.985 683 1HG GLU 100 2HG GLU 100 13.165 15.184 -3.810 684 2HG GLU 100 1HG GLU 100 12.258 14.917 -2.323 685 H ASP 101 H ASP 101 11.282 10.897 -3.980 686 HA ASP 101 HA ASP 101 12.560 8.948 -5.706 687 1HB ASP 101 2HB ASP 101 12.690 8.837 -2.712 688 2HB ASP 101 1HB ASP 101 12.467 7.333 -3.602 689 H GLU 102 H GLU 102 10.370 9.420 -3.021 690 HA GLU 102 HA GLU 102 8.537 7.445 -3.274 691 1HB GLU 102 2HB GLU 102 7.300 10.039 -2.747 692 2HB GLU 102 1HB GLU 102 7.387 8.608 -1.735 693 1HG GLU 102 2HG GLU 102 8.643 9.985 -0.467 694 2HG GLU 102 1HG GLU 102 9.917 9.388 -1.529 695 H ARG 103 H ARG 103 7.038 6.831 -4.620 696 HA ARG 103 HA ARG 103 5.602 8.625 -6.345 697 1HB ARG 103 2HB ARG 103 7.891 8.041 -7.462 698 2HB ARG 103 1HB ARG 103 7.151 6.476 -7.764 699 1HG ARG 103 2HG ARG 103 5.350 8.542 -8.563 700 2HG ARG 103 1HG ARG 103 6.934 8.818 -9.292 701 1HD ARG 103 2HD ARG 103 6.921 6.759 -10.387 702 2HD ARG 103 1HD ARG 103 5.668 6.102 -9.332 703 HE ARG 103 HE ARG 103 5.291 7.880 -11.620 704 1HH1 ARG 103 2HH1 ARG 103 3.882 6.136 -8.927 705 2HH1 ARG 103 1HH1 ARG 103 2.260 6.220 -9.554 706 1HH2 ARG 103 2HH2 ARG 103 3.171 8.016 -12.441 707 2HH2 ARG 103 1HH2 ARG 103 1.857 7.294 -11.556 708 H LEU 104 H LEU 104 5.257 6.501 -4.252 709 HA LEU 104 HA LEU 104 3.632 4.597 -5.805 710 1HB LEU 104 2HB LEU 104 5.613 3.848 -4.290 711 2HB LEU 104 1HB LEU 104 4.490 4.129 -2.974 712 HG LEU 104 HG LEU 104 3.109 2.550 -4.852 713 1HD1 LEU 104 1HD1 LEU 104 5.988 1.867 -4.627 714 2HD1 LEU 104 2HD1 LEU 104 4.815 0.550 -4.608 715 3HD1 LEU 104 3HD1 LEU 104 4.876 1.658 -5.980 716 1HD2 LEU 104 1HD2 LEU 104 3.703 0.819 -2.899 717 2HD2 LEU 104 2HD2 LEU 104 4.140 2.325 -2.093 718 3HD2 LEU 104 3HD2 LEU 104 2.506 2.101 -2.715 719 H ILE 105 H ILE 105 3.657 6.736 -2.999 720 HA ILE 105 HA ILE 105 1.063 5.994 -2.110 721 HB ILE 105 HB ILE 105 2.950 8.192 -1.427 722 1HG1 ILE 105 2HG1 ILE 105 1.483 6.007 0.023 723 1HG2 ILE 105 1HG2 ILE 105 0.874 8.758 0.237 724 2HG2 ILE 105 2HG2 ILE 105 1.283 9.681 -1.209 725 3HG2 ILE 105 3HG2 ILE 105 0.033 8.437 -1.281 726 1HD1 ILE 105 1HD1 ILE 105 3.184 7.027 1.888 727 2HD1 ILE 105 2HD1 ILE 105 2.490 8.485 1.177 728 3HD1 ILE 105 3HD1 ILE 105 1.435 7.250 1.865 729 H THR 106 H THR 106 -0.777 6.399 -3.011 730 HA THR 106 HA THR 106 -1.127 8.847 -4.600 731 HB THR 106 HB THR 106 -2.555 6.185 -4.782 732 HG1 THR 106 1HG THR 106 -1.063 5.896 -6.236 733 1HG2 THR 106 1HG2 THR 106 -3.363 8.869 -5.752 734 2HG2 THR 106 2HG2 THR 106 -4.353 7.489 -5.270 735 3HG2 THR 106 3HG2 THR 106 -3.578 7.510 -6.855 736 H ARG 107 H ARG 107 -1.583 10.132 -2.836 737 HA ARG 107 HA ARG 107 -3.293 9.292 -0.743 738 1HB ARG 107 2HB ARG 107 -1.491 11.399 -1.191 739 2HB ARG 107 1HB ARG 107 -3.044 12.160 -0.870 740 1HG ARG 107 2HG ARG 107 -1.832 10.053 0.902 741 2HG ARG 107 1HG ARG 107 -1.602 11.785 1.137 742 1HD ARG 107 2HD ARG 107 -4.180 11.903 1.094 743 2HD ARG 107 1HD ARG 107 -4.109 10.165 1.380 744 HE ARG 107 HE ARG 107 -3.137 12.259 3.195 745 1HH1 ARG 107 2HH1 ARG 107 -4.096 8.949 2.605 746 2HH1 ARG 107 1HH1 ARG 107 -3.919 8.459 4.262 747 1HH2 ARG 107 2HH2 ARG 107 -2.941 11.656 5.375 748 2HH2 ARG 107 1HH2 ARG 107 -3.285 10.014 5.854 749 H LEU 108 H LEU 108 -5.398 9.175 -0.740 750 HA LEU 108 HA LEU 108 -6.979 11.231 -2.071 751 1HB LEU 108 2HB LEU 108 -6.666 8.517 -3.021 752 2HB LEU 108 1HB LEU 108 -8.335 8.825 -2.580 753 HG LEU 108 HG LEU 108 -7.315 11.015 -4.149 754 1HD1 LEU 108 1HD1 LEU 108 -5.812 9.705 -5.310 755 2HD1 LEU 108 2HD1 LEU 108 -6.790 8.247 -5.143 756 3HD1 LEU 108 3HD1 LEU 108 -7.273 9.509 -6.277 757 1HD2 LEU 108 1HD2 LEU 108 -9.484 8.960 -4.551 758 2HD2 LEU 108 2HD2 LEU 108 -9.662 10.579 -3.872 759 3HD2 LEU 108 3HD2 LEU 108 -9.248 10.376 -5.575 760 H GLU 109 H GLU 109 -8.519 11.888 -0.710 761 HA GLU 109 HA GLU 109 -9.127 10.246 1.609 762 1HB GLU 109 2HB GLU 109 -9.985 12.148 2.630 763 2HB GLU 109 1HB GLU 109 -8.684 12.793 1.645 764 1HG GLU 109 2HG GLU 109 -10.076 14.131 0.579 765 2HG GLU 109 1HG GLU 109 -11.129 12.781 0.154 766 H ASN 110 H ASN 110 -11.415 10.012 2.261 767 HA ASN 110 HA ASN 110 -12.757 8.433 0.476 768 1HB ASN 110 2HB ASN 110 -13.159 8.434 2.900 769 2HB ASN 110 1HB ASN 110 -13.975 9.989 2.768 770 1HD2 ASN 110 1HD2 ASN 110 -15.961 9.373 3.444 771 2HD2 ASN 110 2HD2 ASN 110 -16.964 8.246 2.589 772 H THR 111 H THR 111 -13.208 11.898 0.986 773 HA THR 111 HA THR 111 -15.235 11.890 -1.151 774 HB THR 111 HB THR 111 -14.968 14.406 0.270 775 HG1 THR 111 1HG THR 111 -14.337 13.012 1.997 776 1HG2 THR 111 1HG2 THR 111 -17.282 12.474 0.145 777 2HG2 THR 111 2HG2 THR 111 -16.897 13.635 -1.127 778 3HG2 THR 111 3HG2 THR 111 -17.349 14.203 0.482 779 H GLN 112 H GLN 112 -12.316 11.826 -1.608 780 HA GLN 112 HA GLN 112 -11.606 14.487 -2.475 781 1HB GLN 112 2HB GLN 112 -10.042 12.535 -1.671 782 2HB GLN 112 1HB GLN 112 -10.113 12.052 -3.361 783 1HG GLN 112 2HG GLN 112 -9.119 14.063 -4.084 784 2HG GLN 112 1HG GLN 112 -9.342 14.828 -2.511 785 1HE2 GLN 112 1HE2 GLN 112 -7.239 13.125 -4.501 786 2HE2 GLN 112 2HE2 GLN 112 -6.015 12.758 -3.325 787 H PHE 113 H PHE 113 -13.753 14.389 -3.720 788 HA PHE 113 HA PHE 113 -13.383 13.244 -6.391 789 1HB PHE 113 2HB PHE 113 -15.819 14.699 -5.348 790 2HB PHE 113 1HB PHE 113 -15.711 13.674 -6.775 791 HD1 PHE 113 1HD PHE 113 -17.117 13.759 -3.723 792 HD2 PHE 113 2HD PHE 113 -14.533 11.249 -5.986 793 HE1 PHE 113 1HE PHE 113 -17.814 11.829 -2.369 794 HE2 PHE 113 2HE PHE 113 -15.223 9.314 -4.632 795 HZ PHE 113 HZ PHE 113 -16.873 9.603 -2.825 796 H ASP 114 H ASP 114 -14.453 16.326 -4.955 797 HA ASP 114 HA ASP 114 -12.723 17.719 -6.856 798 1HB ASP 114 2HB ASP 114 -15.038 17.735 -7.809 799 2HB ASP 114 1HB ASP 114 -15.573 18.600 -6.371 800 H ALA 115 H ALA 115 -14.895 18.034 -4.084 801 HA ALA 115 HA ALA 115 -13.171 20.159 -3.010 802 1HB ALA 115 1HB ALA 115 -16.026 19.505 -2.755 803 2HB ALA 115 2HB ALA 115 -15.238 20.008 -1.259 804 3HB ALA 115 3HB ALA 115 -15.205 21.064 -2.672 805 H ALA 116 H ALA 116 -12.644 20.042 -0.701 806 HA ALA 116 HA ALA 116 -11.930 17.300 0.029 807 1HB ALA 116 1HB ALA 116 -10.868 18.985 1.950 808 2HB ALA 116 2HB ALA 116 -10.021 18.335 0.545 809 3HB ALA 116 3HB ALA 116 -10.776 19.927 0.462 810 H ASN 117 H ASN 117 -12.517 16.360 1.999 811 HA ASN 117 HA ASN 117 -14.890 17.559 3.250 812 1HB ASN 117 2HB ASN 117 -15.128 15.259 2.431 813 2HB ASN 117 1HB ASN 117 -13.759 14.753 3.414 814 1HD2 ASN 117 1HD2 ASN 117 -17.106 15.554 3.365 815 2HD2 ASN 117 2HD2 ASN 117 -17.454 15.123 5.004 816 H GLY 118 H GLY 118 -12.042 15.683 4.289 817 1HA GLY 118 1HA GLY 118 -10.459 16.362 5.878 818 2HA GLY 118 2HA GLY 118 -11.516 17.687 6.337 819 H ILE 119 H ILE 119 -13.597 16.970 7.450 820 HA ILE 119 HA ILE 119 -13.779 14.495 8.733 821 HB ILE 119 HB ILE 119 -11.739 15.238 9.904 822 1HG1 ILE 119 2HG1 ILE 119 -13.073 15.208 12.300 823 1HG2 ILE 119 1HG2 ILE 119 -11.864 17.027 11.579 824 2HG2 ILE 119 2HG2 ILE 119 -12.085 17.625 9.935 825 3HG2 ILE 119 3HG2 ILE 119 -13.478 17.437 10.999 826 1HD1 ILE 119 1HD1 ILE 119 -12.156 13.203 12.458 827 2HD1 ILE 119 2HD1 ILE 119 -13.129 12.580 11.125 828 3HD1 ILE 119 3HD1 ILE 119 -11.606 13.404 10.793 829 H ASP 120 H ASP 120 -14.421 17.942 8.918 830 HA ASP 120 HA ASP 120 -16.107 19.127 9.942 831 1HB ASP 120 2HB ASP 120 -18.275 18.691 8.579 832 2HB ASP 120 1HB ASP 120 -16.847 19.333 7.789 833 H ASP 121 H ASP 121 -18.248 16.463 9.209 834 HA ASP 121 HA ASP 121 -19.684 15.231 10.470 835 1HB ASP 121 2HB ASP 121 -17.513 15.395 12.192 836 2HB ASP 121 1HB ASP 121 -18.857 15.999 13.159 837 H GLU 122 H GLU 122 -20.343 17.630 9.517 838 HA GLU 122 HA GLU 122 -21.812 19.010 11.644 839 1HB GLU 122 2HB GLU 122 -21.414 19.870 8.771 840 2HB GLU 122 1HB GLU 122 -22.069 20.843 10.081 841 1HG GLU 122 2HG GLU 122 -19.555 19.990 10.958 842 2HG GLU 122 1HG GLU 122 -19.344 20.462 9.273
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