NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9108 | 1ne3 | 5620 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 8.446 18.404 -13.947 2 1HB MET 1 1HB MET 1 9.483 19.514 -11.581 3 2HB MET 1 2HB MET 1 10.515 18.119 -11.823 4 1HG MET 1 1HG MET 1 10.678 18.979 -14.321 5 2HG MET 1 2HG MET 1 10.102 20.497 -13.664 6 1HE MET 1 1HE MET 1 11.529 22.136 -13.409 7 2HE MET 1 2HE MET 1 11.642 21.918 -11.646 8 3HE MET 1 3HE MET 1 13.119 22.163 -12.609 9 H ASP 2 H ASP 2 9.105 16.485 -10.921 10 HA ASP 2 HA ASP 2 10.109 14.350 -12.536 11 1HB ASP 2 1HB ASP 2 9.840 14.931 -9.585 12 2HB ASP 2 2HB ASP 2 10.042 13.260 -10.074 13 H ASP 3 H ASP 3 7.140 15.389 -10.928 14 HA ASP 3 HA ASP 3 5.115 14.599 -10.955 15 1HB ASP 3 1HB ASP 3 6.339 13.171 -13.138 16 2HB ASP 3 2HB ASP 3 5.336 12.027 -12.267 17 H ALA 4 H ALA 4 7.218 11.612 -11.068 18 HA ALA 4 HA ALA 4 5.880 10.674 -8.644 19 1HB ALA 4 1HB ALA 4 6.137 9.339 -10.882 20 2HB ALA 4 2HB ALA 4 7.810 9.078 -10.333 21 3HB ALA 4 3HB ALA 4 6.448 8.509 -9.338 22 H THR 5 H THR 5 7.091 10.014 -6.790 23 HA THR 5 HA THR 5 9.689 11.360 -6.629 24 HB THR 5 HB THR 5 7.368 11.208 -4.964 25 HG1 THR 5 HG1 THR 5 8.800 12.674 -3.777 26 1HG2 THR 5 1HG2 THR 5 9.868 10.089 -3.599 27 2HG2 THR 5 2HG2 THR 5 8.289 10.416 -2.845 28 3HG2 THR 5 3HG2 THR 5 8.457 9.087 -4.018 29 HA PRO 6 HA PRO 6 11.784 7.613 -6.547 30 1HB PRO 6 1HB PRO 6 14.159 8.410 -5.455 31 2HB PRO 6 2HB PRO 6 13.758 8.636 -7.145 32 1HG PRO 6 1HG PRO 6 13.820 10.638 -4.971 33 2HG PRO 6 2HG PRO 6 13.843 10.898 -6.704 34 1HD PRO 6 1HD PRO 6 11.604 11.249 -4.947 35 2HD PRO 6 2HD PRO 6 11.599 11.396 -6.693 36 H ALA 7 H ALA 7 11.784 5.775 -5.385 37 HA ALA 7 HA ALA 7 12.224 6.047 -2.542 38 1HB ALA 7 1HB ALA 7 10.050 4.765 -2.107 39 2HB ALA 7 2HB ALA 7 9.878 6.482 -2.541 40 3HB ALA 7 3HB ALA 7 9.568 5.221 -3.758 41 H GLU 8 H GLU 8 12.537 3.904 -1.515 42 HA GLU 8 HA GLU 8 13.219 1.924 -3.548 43 1HB GLU 8 1HB GLU 8 14.599 2.509 -0.892 44 2HB GLU 8 2HB GLU 8 14.998 1.153 -1.928 45 1HG GLU 8 1HG GLU 8 15.618 2.680 -3.767 46 2HG GLU 8 2HG GLU 8 15.096 4.069 -2.833 47 H VAL 9 H VAL 9 12.378 -0.139 -3.309 48 HA VAL 9 HA VAL 9 10.186 -0.566 -1.728 49 HB VAL 9 HB VAL 9 12.117 -2.702 -2.636 50 1HG1 VAL 9 1HG1 VAL 9 9.882 -3.049 -1.209 51 2HG1 VAL 9 2HG1 VAL 9 9.149 -2.960 -2.829 52 3HG1 VAL 9 3HG1 VAL 9 10.388 -4.188 -2.479 53 1HG2 VAL 9 1HG2 VAL 9 11.943 -1.611 -4.639 54 2HG2 VAL 9 2HG2 VAL 9 10.446 -2.572 -4.715 55 3HG2 VAL 9 3HG2 VAL 9 10.382 -0.861 -4.225 56 H ILE 10 H ILE 10 9.799 -1.187 0.366 57 HA ILE 10 HA ILE 10 12.197 -1.716 1.980 58 HB ILE 10 HB ILE 10 10.970 -0.733 3.856 59 1HG1 ILE 10 1HG1 ILE 10 8.947 0.780 2.945 60 2HG1 ILE 10 2HG1 ILE 10 8.788 -0.564 1.831 61 1HG2 ILE 10 1HG2 ILE 10 11.545 1.433 3.356 62 2HG2 ILE 10 2HG2 ILE 10 12.443 0.550 2.099 63 3HG2 ILE 10 3HG2 ILE 10 10.901 1.344 1.699 64 1HD1 ILE 10 1HD1 ILE 10 7.449 -1.247 3.645 65 2HD1 ILE 10 2HD1 ILE 10 8.990 -2.071 3.982 66 3HD1 ILE 10 3HD1 ILE 10 8.573 -0.576 4.852 67 H GLU 11 H GLU 11 8.760 -2.534 1.311 68 HA GLU 11 HA GLU 11 9.327 -5.105 2.550 69 1HB GLU 11 1HB GLU 11 7.981 -4.135 4.223 70 2HB GLU 11 2HB GLU 11 6.998 -3.252 3.072 71 1HG GLU 11 1HG GLU 11 5.667 -5.101 2.561 72 2HG GLU 11 2HG GLU 11 6.946 -6.254 2.885 73 H VAL 12 H VAL 12 8.281 -6.924 1.548 74 HA VAL 12 HA VAL 12 6.917 -6.255 -0.967 75 HB VAL 12 HB VAL 12 8.963 -6.967 -1.730 76 1HG1 VAL 12 1HG1 VAL 12 9.115 -9.175 0.341 77 2HG1 VAL 12 2HG1 VAL 12 10.407 -8.585 -0.731 78 3HG1 VAL 12 3HG1 VAL 12 9.801 -7.551 0.585 79 1HG2 VAL 12 1HG2 VAL 12 7.259 -9.460 -1.442 80 2HG2 VAL 12 2HG2 VAL 12 7.310 -8.323 -2.811 81 3HG2 VAL 12 3HG2 VAL 12 8.712 -9.364 -2.466 82 H LEU 13 H LEU 13 5.086 -7.477 -1.466 83 HA LEU 13 HA LEU 13 4.205 -9.221 0.719 84 1HB LEU 13 1HB LEU 13 2.314 -8.237 -1.345 85 2HB LEU 13 2HB LEU 13 2.070 -8.534 0.364 86 HG LEU 13 HG LEU 13 1.858 -6.213 0.100 87 1HD1 LEU 13 1HD1 LEU 13 3.749 -7.237 1.772 88 2HD1 LEU 13 2HD1 LEU 13 4.689 -6.008 0.893 89 3HD1 LEU 13 3HD1 LEU 13 3.207 -5.542 1.762 90 1HD2 LEU 13 1HD2 LEU 13 4.382 -5.417 -1.052 91 2HD2 LEU 13 2HD2 LEU 13 3.532 -6.549 -2.131 92 3HD2 LEU 13 3HD2 LEU 13 2.722 -5.060 -1.587 93 H LYS 14 H LYS 14 4.614 -11.331 0.338 94 HA LYS 14 HA LYS 14 3.964 -12.318 -2.340 95 1HB LYS 14 1HB LYS 14 6.591 -12.186 -1.163 96 2HB LYS 14 2HB LYS 14 6.127 -13.865 -1.355 97 1HG LYS 14 1HG LYS 14 6.578 -13.711 -3.569 98 2HG LYS 14 2HG LYS 14 5.265 -12.562 -3.738 99 1HD LYS 14 1HD LYS 14 6.785 -10.958 -4.240 100 2HD LYS 14 2HD LYS 14 7.399 -11.071 -2.602 101 1HE LYS 14 1HE LYS 14 8.913 -12.956 -3.330 102 2HE LYS 14 2HE LYS 14 8.332 -12.762 -4.972 103 1HZ LYS 14 1HZ LYS 14 9.031 -10.303 -4.488 104 2HZ LYS 14 2HZ LYS 14 10.050 -11.022 -3.433 105 3HZ LYS 14 3HZ LYS 14 10.110 -11.408 -5.019 106 H ARG 15 H ARG 15 2.406 -13.833 -2.199 107 HA ARG 15 HA ARG 15 2.425 -15.452 0.216 108 1HB ARG 15 1HB ARG 15 0.423 -13.565 -0.531 109 2HB ARG 15 2HB ARG 15 -0.271 -15.133 -0.888 110 1HG ARG 15 1HG ARG 15 -0.110 -15.870 1.362 111 2HG ARG 15 2HG ARG 15 1.131 -14.699 1.763 112 1HD ARG 15 1HD ARG 15 -0.427 -13.172 2.406 113 2HD ARG 15 2HD ARG 15 -1.254 -13.290 0.865 114 HE ARG 15 HE ARG 15 -1.989 -14.651 3.342 115 1HH1 ARG 15 1HH1 ARG 15 -2.199 -14.801 -0.167 116 2HH1 ARG 15 2HH1 ARG 15 -3.626 -15.784 -0.168 117 1HH2 ARG 15 1HH2 ARG 15 -3.871 -15.947 3.342 118 2HH2 ARG 15 2HH2 ARG 15 -4.583 -16.440 1.842 119 H THR 16 H THR 16 3.038 -17.466 -0.550 120 HA THR 16 HA THR 16 2.977 -19.370 -1.699 121 HB THR 16 HB THR 16 0.328 -18.324 -2.830 122 HG1 THR 16 HG1 THR 16 0.447 -18.295 -0.474 123 1HG2 THR 16 1HG2 THR 16 1.594 -21.078 -2.491 124 2HG2 THR 16 2HG2 THR 16 -0.173 -20.875 -2.550 125 3HG2 THR 16 3HG2 THR 16 0.825 -20.394 -3.943 126 H GLY 17 H GLY 17 2.996 -20.319 -4.008 127 1HA GLY 17 1HA GLY 17 4.815 -18.827 -5.526 128 2HA GLY 17 2HA GLY 17 3.961 -20.270 -6.036 129 H MET 18 H MET 18 2.733 -20.008 -7.842 130 HA MET 18 HA MET 18 2.057 -17.355 -8.643 131 1HB MET 18 1HB MET 18 2.219 -20.072 -9.811 132 2HB MET 18 2HB MET 18 0.799 -19.214 -10.375 133 1HG MET 18 1HG MET 18 2.038 -17.788 -11.662 134 2HG MET 18 2HG MET 18 3.183 -17.480 -10.372 135 1HE MET 18 1HE MET 18 4.016 -19.318 -14.083 136 2HE MET 18 2HE MET 18 2.613 -20.261 -13.525 137 3HE MET 18 3HE MET 18 2.553 -18.482 -13.510 138 H THR 19 H THR 19 0.256 -16.323 -7.901 139 HA THR 19 HA THR 19 -2.242 -17.812 -7.841 140 HB THR 19 HB THR 19 -2.582 -16.707 -5.466 141 HG1 THR 19 HG1 THR 19 -0.528 -15.504 -5.682 142 1HG2 THR 19 1HG2 THR 19 -1.875 -19.263 -6.157 143 2HG2 THR 19 2HG2 THR 19 -0.421 -18.778 -5.252 144 3HG2 THR 19 3HG2 THR 19 -2.017 -18.726 -4.466 145 H GLY 20 H GLY 20 -1.742 -16.181 -9.854 146 1HA GLY 20 1HA GLY 20 -3.734 -14.362 -9.933 147 2HA GLY 20 2HA GLY 20 -2.422 -13.444 -9.220 148 H GLU 21 H GLU 21 -0.785 -12.634 -10.520 149 HA GLU 21 HA GLU 21 0.049 -13.816 -12.862 150 1HB GLU 21 1HB GLU 21 -0.930 -12.405 -14.598 151 2HB GLU 21 2HB GLU 21 -2.217 -13.195 -13.708 152 1HG GLU 21 1HG GLU 21 -1.256 -10.320 -13.337 153 2HG GLU 21 2HG GLU 21 -2.780 -10.824 -14.041 154 H VAL 22 H VAL 22 -0.544 -10.821 -10.989 155 HA VAL 22 HA VAL 22 2.144 -9.929 -11.779 156 HB VAL 22 HB VAL 22 -0.394 -8.409 -11.219 157 1HG1 VAL 22 1HG1 VAL 22 0.840 -6.339 -11.138 158 2HG1 VAL 22 2HG1 VAL 22 1.488 -7.431 -9.890 159 3HG1 VAL 22 3HG1 VAL 22 2.379 -7.191 -11.412 160 1HG2 VAL 22 1HG2 VAL 22 -0.251 -7.649 -13.394 161 2HG2 VAL 22 2HG2 VAL 22 1.513 -7.870 -13.474 162 3HG2 VAL 22 3HG2 VAL 22 0.435 -9.283 -13.562 163 H MET 23 H MET 23 3.536 -9.184 -10.120 164 HA MET 23 HA MET 23 2.725 -10.159 -7.517 165 1HB MET 23 1HB MET 23 4.949 -10.768 -8.762 166 2HB MET 23 2HB MET 23 5.480 -9.142 -8.380 167 1HG MET 23 1HG MET 23 5.450 -9.549 -6.023 168 2HG MET 23 2HG MET 23 4.421 -10.958 -6.185 169 1HE MET 23 1HE MET 23 7.542 -9.236 -6.835 170 2HE MET 23 2HE MET 23 8.812 -10.427 -6.465 171 3HE MET 23 3HE MET 23 8.214 -10.253 -8.132 172 H GLN 24 H GLN 24 2.708 -8.862 -5.634 173 HA GLN 24 HA GLN 24 2.850 -6.014 -6.223 174 1HB GLN 24 1HB GLN 24 1.207 -5.648 -4.551 175 2HB GLN 24 2HB GLN 24 0.664 -7.092 -5.382 176 1HG GLN 24 1HG GLN 24 2.333 -8.139 -3.405 177 2HG GLN 24 2HG GLN 24 1.604 -6.769 -2.590 178 1HE2 GLN 24 1HE2 GLN 24 -0.418 -6.878 -1.882 179 2HE2 GLN 24 2HE2 GLN 24 -1.527 -8.181 -2.152 180 H VAL 25 H VAL 25 4.015 -4.594 -4.811 181 HA VAL 25 HA VAL 25 5.575 -5.903 -2.716 182 HB VAL 25 HB VAL 25 6.723 -5.639 -5.071 183 1HG1 VAL 25 1HG1 VAL 25 6.101 -3.133 -5.047 184 2HG1 VAL 25 2HG1 VAL 25 7.448 -2.953 -3.898 185 3HG1 VAL 25 3HG1 VAL 25 7.752 -3.584 -5.535 186 1HG2 VAL 25 1HG2 VAL 25 8.025 -6.562 -3.388 187 2HG2 VAL 25 2HG2 VAL 25 8.908 -5.060 -3.750 188 3HG2 VAL 25 3HG2 VAL 25 7.847 -5.146 -2.324 189 H LYS 26 H LYS 26 6.525 -4.289 -1.180 190 HA LYS 26 HA LYS 26 4.798 -1.915 -1.095 191 1HB LYS 26 1HB LYS 26 4.680 -3.816 0.703 192 2HB LYS 26 2HB LYS 26 6.152 -3.094 1.318 193 1HG LYS 26 1HG LYS 26 4.759 -0.819 1.083 194 2HG LYS 26 2HG LYS 26 3.381 -1.900 1.148 195 1HD LYS 26 1HD LYS 26 5.625 -1.912 3.219 196 2HD LYS 26 2HD LYS 26 4.143 -0.995 3.407 197 1HE LYS 26 1HE LYS 26 3.666 -3.829 2.678 198 2HE LYS 26 2HE LYS 26 4.521 -3.647 4.197 199 1HZ LYS 26 1HZ LYS 26 2.389 -1.804 3.969 200 2HZ LYS 26 2HZ LYS 26 1.861 -3.342 3.818 201 3HZ LYS 26 3HZ LYS 26 2.694 -2.893 5.148 202 H CYS 27 H CYS 27 5.721 0.105 -0.964 203 HA CYS 27 HA CYS 27 8.602 0.193 -0.539 204 1HB CYS 27 1HB CYS 27 9.057 1.483 -2.462 205 2HB CYS 27 2HB CYS 27 8.082 0.140 -3.027 206 HG CYS 27 HG CYS 27 5.822 1.813 -2.289 207 H ARG 28 H ARG 28 9.300 2.285 0.319 208 HA ARG 28 HA ARG 28 7.033 3.866 1.238 209 1HB ARG 28 1HB ARG 28 8.230 2.651 3.075 210 2HB ARG 28 2HB ARG 28 9.735 3.416 2.606 211 1HG ARG 28 1HG ARG 28 7.709 5.468 2.953 212 2HG ARG 28 2HG ARG 28 7.718 4.437 4.370 213 1HD ARG 28 1HD ARG 28 10.465 4.978 3.573 214 2HD ARG 28 2HD ARG 28 9.594 6.494 3.692 215 HE ARG 28 HE ARG 28 9.337 6.165 6.015 216 1HH1 ARG 28 1HH1 ARG 28 10.560 3.232 4.504 217 2HH1 ARG 28 2HH1 ARG 28 10.936 2.461 6.008 218 1HH2 ARG 28 1HH2 ARG 28 9.833 5.148 8.000 219 2HH2 ARG 28 2HH2 ARG 28 10.519 3.558 8.011 220 H ILE 29 H ILE 29 7.190 6.158 1.045 221 HA ILE 29 HA ILE 29 8.805 7.131 -0.997 222 HB ILE 29 HB ILE 29 7.034 8.316 1.090 223 1HG1 ILE 29 1HG1 ILE 29 7.016 7.867 -1.857 224 2HG1 ILE 29 2HG1 ILE 29 5.743 7.638 -0.674 225 1HG2 ILE 29 1HG2 ILE 29 9.060 9.798 0.895 226 2HG2 ILE 29 2HG2 ILE 29 8.633 10.035 -0.816 227 3HG2 ILE 29 3HG2 ILE 29 7.510 10.558 0.462 228 1HD1 ILE 29 1HD1 ILE 29 6.777 10.361 -1.593 229 2HD1 ILE 29 2HD1 ILE 29 5.295 9.576 -2.190 230 3HD1 ILE 29 3HD1 ILE 29 5.414 10.074 -0.485 231 H LEU 30 H LEU 30 10.910 7.708 -1.081 232 HA LEU 30 HA LEU 30 12.378 7.714 1.415 233 1HB LEU 30 1HB LEU 30 13.055 7.519 -1.488 234 2HB LEU 30 2HB LEU 30 14.285 8.073 -0.369 235 HG LEU 30 HG LEU 30 12.852 5.407 -0.348 236 1HD1 LEU 30 1HD1 LEU 30 15.817 5.946 -0.565 237 2HD1 LEU 30 2HD1 LEU 30 14.933 4.436 -0.893 238 3HD1 LEU 30 3HD1 LEU 30 14.747 5.831 -1.983 239 1HD2 LEU 30 1HD2 LEU 30 13.028 5.881 1.934 240 2HD2 LEU 30 2HD2 LEU 30 14.480 4.917 1.577 241 3HD2 LEU 30 3HD2 LEU 30 14.605 6.684 1.745 242 H ASP 31 H ASP 31 11.030 9.930 -0.964 243 HA ASP 31 HA ASP 31 11.697 12.095 0.726 244 1HB ASP 31 1HB ASP 31 12.639 12.690 -2.025 245 2HB ASP 31 2HB ASP 31 13.325 13.174 -0.487 246 H GLY 32 H GLY 32 10.684 14.186 -0.226 247 1HA GLY 32 1HA GLY 32 9.348 14.777 -2.354 248 2HA GLY 32 2HA GLY 32 8.325 13.456 -1.825 249 H ARG 33 H ARG 33 6.642 15.224 -1.728 250 HA ARG 33 HA ARG 33 6.992 17.152 0.327 251 1HB ARG 33 1HB ARG 33 4.264 16.579 -0.808 252 2HB ARG 33 2HB ARG 33 5.034 18.124 -0.507 253 1HG ARG 33 1HG ARG 33 5.305 18.159 -2.784 254 2HG ARG 33 2HG ARG 33 6.705 17.160 -2.447 255 1HD ARG 33 1HD ARG 33 5.783 15.474 -3.653 256 2HD ARG 33 2HD ARG 33 4.458 15.386 -2.510 257 HE ARG 33 HE ARG 33 3.095 16.516 -4.039 258 1HH1 ARG 33 1HH1 ARG 33 6.465 17.004 -4.927 259 2HH1 ARG 33 2HH1 ARG 33 6.090 17.801 -6.418 260 1HH2 ARG 33 1HH2 ARG 33 2.600 17.568 -6.007 261 2HH2 ARG 33 2HH2 ARG 33 3.877 18.124 -7.037 262 H ASP 34 H ASP 34 5.471 13.961 -0.104 263 HA ASP 34 HA ASP 34 3.958 14.180 2.297 264 1HB ASP 34 1HB ASP 34 4.647 11.732 0.603 265 2HB ASP 34 2HB ASP 34 3.424 11.782 1.857 266 H LYS 35 H LYS 35 6.764 12.193 1.075 267 HA LYS 35 HA LYS 35 8.425 11.165 2.102 268 1HB LYS 35 1HB LYS 35 8.407 13.725 3.086 269 2HB LYS 35 2HB LYS 35 8.383 12.788 4.567 270 1HG LYS 35 1HG LYS 35 10.408 11.617 3.990 271 2HG LYS 35 2HG LYS 35 10.327 12.135 2.318 272 1HD LYS 35 1HD LYS 35 10.558 14.176 4.558 273 2HD LYS 35 2HD LYS 35 11.984 13.366 3.939 274 1HE LYS 35 1HE LYS 35 11.337 14.132 1.603 275 2HE LYS 35 2HE LYS 35 10.016 15.042 2.309 276 1HZ LYS 35 1HZ LYS 35 11.505 16.408 3.431 277 2HZ LYS 35 2HZ LYS 35 12.780 15.413 3.203 278 3HZ LYS 35 3HZ LYS 35 12.161 16.250 1.944 279 H GLY 36 H GLY 36 8.610 9.252 3.203 280 1HA GLY 36 1HA GLY 36 8.172 7.647 4.742 281 2HA GLY 36 2HA GLY 36 7.175 8.774 5.641 282 H ARG 37 H ARG 37 6.019 9.088 2.550 283 HA ARG 37 HA ARG 37 3.687 7.703 3.149 284 1HB ARG 37 1HB ARG 37 4.552 9.591 1.225 285 2HB ARG 37 2HB ARG 37 4.082 8.198 0.271 286 1HG ARG 37 1HG ARG 37 1.983 8.293 2.039 287 2HG ARG 37 2HG ARG 37 2.396 9.994 1.966 288 1HD ARG 37 1HD ARG 37 2.185 9.986 -0.498 289 2HD ARG 37 2HD ARG 37 1.909 8.256 -0.501 290 HE ARG 37 HE ARG 37 -0.033 10.330 0.195 291 1HH1 ARG 37 1HH1 ARG 37 0.819 6.942 0.614 292 2HH1 ARG 37 2HH1 ARG 37 -0.801 6.448 0.978 293 1HH2 ARG 37 1HH2 ARG 37 -2.170 9.679 0.675 294 2HH2 ARG 37 2HH2 ARG 37 -2.512 8.015 1.012 295 H ILE 38 H ILE 38 3.125 5.563 2.805 296 HA ILE 38 HA ILE 38 4.892 4.027 1.029 297 HB ILE 38 HB ILE 38 3.485 3.116 3.542 298 1HG1 ILE 38 1HG1 ILE 38 6.341 2.846 3.617 299 2HG1 ILE 38 2HG1 ILE 38 5.949 4.502 3.199 300 1HG2 ILE 38 1HG2 ILE 38 4.399 0.984 3.214 301 2HG2 ILE 38 2HG2 ILE 38 3.758 1.447 1.620 302 3HG2 ILE 38 3HG2 ILE 38 5.506 1.551 1.940 303 1HD1 ILE 38 1HD1 ILE 38 5.215 2.946 5.682 304 2HD1 ILE 38 2HD1 ILE 38 5.883 4.590 5.539 305 3HD1 ILE 38 3HD1 ILE 38 4.170 4.289 5.157 306 H LEU 39 H LEU 39 3.944 3.069 -0.701 307 HA LEU 39 HA LEU 39 1.043 2.686 -0.572 308 1HB LEU 39 1HB LEU 39 2.526 3.845 -2.933 309 2HB LEU 39 2HB LEU 39 0.808 3.511 -2.836 310 HG LEU 39 HG LEU 39 0.672 5.195 -0.956 311 1HD1 LEU 39 1HD1 LEU 39 2.893 6.808 -1.540 312 2HD1 LEU 39 2HD1 LEU 39 2.556 5.920 -0.035 313 3HD1 LEU 39 3HD1 LEU 39 3.538 5.165 -1.313 314 1HD2 LEU 39 1HD2 LEU 39 0.669 7.129 -2.449 315 2HD2 LEU 39 2HD2 LEU 39 1.606 6.214 -3.654 316 3HD2 LEU 39 3HD2 LEU 39 -0.048 5.704 -3.239 317 H THR 40 H THR 40 0.252 0.896 -1.809 318 HA THR 40 HA THR 40 2.404 -0.932 -2.657 319 HB THR 40 HB THR 40 -0.261 -2.006 -1.812 320 HG1 THR 40 HG1 THR 40 1.763 -0.779 -0.072 321 1HG2 THR 40 1HG2 THR 40 2.627 -2.747 -1.721 322 2HG2 THR 40 2HG2 THR 40 1.717 -3.154 -0.247 323 3HG2 THR 40 3HG2 THR 40 1.195 -3.799 -1.822 324 H ARG 41 H ARG 41 2.347 -1.787 -4.670 325 HA ARG 41 HA ARG 41 -0.134 -1.521 -6.116 326 1HB ARG 41 1HB ARG 41 2.542 -0.340 -6.990 327 2HB ARG 41 2HB ARG 41 1.265 -0.678 -8.141 328 1HG ARG 41 1HG ARG 41 0.565 1.447 -7.652 329 2HG ARG 41 2HG ARG 41 -0.161 0.701 -6.242 330 1HD ARG 41 1HD ARG 41 1.580 1.409 -4.798 331 2HD ARG 41 2HD ARG 41 2.733 1.591 -6.106 332 HE ARG 41 HE ARG 41 1.920 3.754 -6.501 333 1HH1 ARG 41 1HH1 ARG 41 -0.380 1.996 -4.501 334 2HH1 ARG 41 2HH1 ARG 41 -1.365 3.386 -4.187 335 1HH2 ARG 41 1HH2 ARG 41 0.621 5.589 -6.087 336 2HH2 ARG 41 2HH2 ARG 41 -0.791 5.443 -5.096 337 H ASN 42 H ASN 42 -0.185 -2.935 -8.084 338 HA ASN 42 HA ASN 42 1.398 -5.271 -7.600 339 1HB ASN 42 1HB ASN 42 -0.562 -4.913 -9.902 340 2HB ASN 42 2HB ASN 42 -0.143 -6.393 -9.063 341 1HD2 ASN 42 1HD2 ASN 42 -2.740 -5.733 -9.450 342 2HD2 ASN 42 2HD2 ASN 42 -3.516 -5.309 -7.961 343 H VAL 43 H VAL 43 3.324 -5.630 -8.715 344 HA VAL 43 HA VAL 43 3.574 -4.420 -11.375 345 HB VAL 43 HB VAL 43 4.782 -2.976 -9.940 346 1HG1 VAL 43 1HG1 VAL 43 5.257 -3.813 -7.899 347 2HG1 VAL 43 2HG1 VAL 43 5.456 -5.472 -8.512 348 3HG1 VAL 43 3HG1 VAL 43 6.794 -4.306 -8.648 349 1HG2 VAL 43 1HG2 VAL 43 6.775 -2.938 -11.061 350 2HG2 VAL 43 2HG2 VAL 43 7.070 -4.678 -10.829 351 3HG2 VAL 43 3HG2 VAL 43 5.916 -4.129 -12.068 352 H MET 44 H MET 44 4.321 -5.807 -12.934 353 HA MET 44 HA MET 44 4.625 -8.522 -12.131 354 1HB MET 44 1HB MET 44 4.481 -8.978 -14.491 355 2HB MET 44 2HB MET 44 3.464 -7.568 -14.267 356 1HG MET 44 1HG MET 44 5.795 -6.276 -14.735 357 2HG MET 44 2HG MET 44 6.174 -7.769 -15.570 358 1HE MET 44 1HE MET 44 5.175 -8.236 -18.153 359 2HE MET 44 2HE MET 44 4.240 -8.990 -16.840 360 3HE MET 44 3HE MET 44 3.397 -8.150 -18.163 361 H GLY 45 H GLY 45 6.507 -9.739 -12.009 362 1HA GLY 45 1HA GLY 45 8.758 -10.049 -12.938 363 2HA GLY 45 2HA GLY 45 9.014 -8.330 -12.715 364 HA PRO 46 HA PRO 46 9.992 -10.753 -8.841 365 1HB PRO 46 1HB PRO 46 12.627 -11.408 -9.155 366 2HB PRO 46 2HB PRO 46 11.317 -12.532 -9.460 367 1HG PRO 46 1HG PRO 46 13.007 -11.084 -11.406 368 2HG PRO 46 2HG PRO 46 12.006 -12.500 -11.661 369 1HD PRO 46 1HD PRO 46 11.399 -9.806 -12.438 370 2HD PRO 46 2HD PRO 46 10.350 -11.202 -12.587 371 H ILE 47 H ILE 47 9.568 -8.751 -7.885 372 HA ILE 47 HA ILE 47 12.062 -7.244 -7.530 373 HB ILE 47 HB ILE 47 10.473 -6.152 -9.110 374 1HG1 ILE 47 1HG1 ILE 47 10.535 -4.271 -6.843 375 2HG1 ILE 47 2HG1 ILE 47 12.065 -5.069 -7.147 376 1HG2 ILE 47 1HG2 ILE 47 8.482 -6.975 -7.519 377 2HG2 ILE 47 2HG2 ILE 47 8.710 -5.337 -6.860 378 3HG2 ILE 47 3HG2 ILE 47 8.349 -5.558 -8.589 379 1HD1 ILE 47 1HD1 ILE 47 10.467 -3.859 -9.430 380 2HD1 ILE 47 2HD1 ILE 47 11.567 -2.868 -8.442 381 3HD1 ILE 47 3HD1 ILE 47 12.204 -4.244 -9.374 382 H ARG 48 H ARG 48 12.691 -7.128 -5.443 383 HA ARG 48 HA ARG 48 10.575 -7.399 -3.467 384 1HB ARG 48 1HB ARG 48 12.091 -8.771 -2.067 385 2HB ARG 48 2HB ARG 48 11.863 -9.530 -3.630 386 1HG ARG 48 1HG ARG 48 14.209 -7.664 -3.105 387 2HG ARG 48 2HG ARG 48 14.292 -9.367 -2.702 388 1HD ARG 48 1HD ARG 48 14.622 -9.954 -4.878 389 2HD ARG 48 2HD ARG 48 13.234 -9.025 -5.409 390 HE ARG 48 HE ARG 48 14.690 -7.333 -6.080 391 1HH1 ARG 48 1HH1 ARG 48 16.295 -9.282 -3.628 392 2HH1 ARG 48 2HH1 ARG 48 17.801 -8.436 -3.759 393 1HH2 ARG 48 1HH2 ARG 48 16.677 -6.217 -6.252 394 2HH2 ARG 48 2HH2 ARG 48 18.019 -6.681 -5.262 395 H GLU 49 H GLU 49 11.335 -6.557 -1.223 396 HA GLU 49 HA GLU 49 11.894 -4.007 -1.219 397 1HB GLU 49 1HB GLU 49 13.246 -4.599 1.040 398 2HB GLU 49 2HB GLU 49 11.504 -4.739 0.923 399 1HG GLU 49 1HG GLU 49 11.557 -7.017 1.083 400 2HG GLU 49 2HG GLU 49 12.874 -7.157 -0.065 401 H GLY 50 H GLY 50 13.619 -2.561 -1.433 402 1HA GLY 50 1HA GLY 50 16.012 -2.210 -1.251 403 2HA GLY 50 2HA GLY 50 16.257 -3.772 -2.006 404 H ASP 51 H ASP 51 13.795 -3.175 -3.824 405 HA ASP 51 HA ASP 51 15.342 -2.112 -5.920 406 1HB ASP 51 1HB ASP 51 12.833 -3.492 -5.575 407 2HB ASP 51 2HB ASP 51 12.510 -2.049 -6.516 408 H ILE 52 H ILE 52 13.842 -0.363 -7.385 409 HA ILE 52 HA ILE 52 13.113 1.783 -5.518 410 HB ILE 52 HB ILE 52 14.721 1.990 -8.065 411 1HG1 ILE 52 1HG1 ILE 52 15.896 3.180 -5.708 412 2HG1 ILE 52 2HG1 ILE 52 15.514 1.498 -5.399 413 1HG2 ILE 52 1HG2 ILE 52 14.756 4.366 -7.754 414 2HG2 ILE 52 2HG2 ILE 52 13.059 3.830 -7.784 415 3HG2 ILE 52 3HG2 ILE 52 13.837 4.234 -6.235 416 1HD1 ILE 52 1HD1 ILE 52 17.270 2.645 -7.599 417 2HD1 ILE 52 2HD1 ILE 52 17.699 1.453 -6.349 418 3HD1 ILE 52 3HD1 ILE 52 16.625 0.988 -7.690 419 H LEU 53 H LEU 53 11.122 2.657 -5.841 420 HA LEU 53 HA LEU 53 9.861 2.103 -8.432 421 1HB LEU 53 1HB LEU 53 8.058 2.183 -6.122 422 2HB LEU 53 2HB LEU 53 8.060 1.138 -7.529 423 HG LEU 53 HG LEU 53 9.749 0.820 -5.035 424 1HD1 LEU 53 1HD1 LEU 53 7.319 0.226 -4.879 425 2HD1 LEU 53 2HD1 LEU 53 7.599 -1.004 -6.135 426 3HD1 LEU 53 3HD1 LEU 53 8.441 -1.122 -4.571 427 1HD2 LEU 53 1HD2 LEU 53 10.246 -0.124 -7.705 428 2HD2 LEU 53 2HD2 LEU 53 11.205 -0.356 -6.223 429 3HD2 LEU 53 3HD2 LEU 53 9.905 -1.502 -6.631 430 H MET 54 H MET 54 8.025 3.640 -8.903 431 HA MET 54 HA MET 54 8.768 6.243 -7.827 432 1HB MET 54 1HB MET 54 7.364 5.406 -10.424 433 2HB MET 54 2HB MET 54 7.618 7.077 -9.962 434 1HG MET 54 1HG MET 54 10.081 5.412 -9.839 435 2HG MET 54 2HG MET 54 9.401 5.551 -11.448 436 1HE MET 54 1HE MET 54 10.251 7.566 -8.230 437 2HE MET 54 2HE MET 54 11.774 7.095 -9.021 438 3HE MET 54 3HE MET 54 11.323 8.813 -8.912 439 H LEU 55 H LEU 55 7.235 7.575 -6.844 440 HA LEU 55 HA LEU 55 4.619 6.323 -6.444 441 1HB LEU 55 1HB LEU 55 6.066 8.440 -4.846 442 2HB LEU 55 2HB LEU 55 4.470 7.813 -4.485 443 HG LEU 55 HG LEU 55 5.961 6.727 -3.014 444 1HD1 LEU 55 1HD1 LEU 55 4.251 5.311 -4.319 445 2HD1 LEU 55 2HD1 LEU 55 5.664 4.644 -5.171 446 3HD1 LEU 55 3HD1 LEU 55 5.525 4.469 -3.405 447 1HD2 LEU 55 1HD2 LEU 55 7.786 5.286 -4.632 448 2HD2 LEU 55 2HD2 LEU 55 7.833 6.983 -5.169 449 3HD2 LEU 55 3HD2 LEU 55 8.127 6.582 -3.460 450 H LEU 56 H LEU 56 3.132 6.998 -7.898 451 HA LEU 56 HA LEU 56 3.285 9.803 -8.738 452 1HB LEU 56 1HB LEU 56 3.484 8.100 -10.495 453 2HB LEU 56 2HB LEU 56 1.927 7.437 -10.039 454 HG LEU 56 HG LEU 56 1.771 8.825 -12.043 455 1HD1 LEU 56 1HD1 LEU 56 0.322 10.556 -10.140 456 2HD1 LEU 56 2HD1 LEU 56 -0.274 9.594 -11.514 457 3HD1 LEU 56 3HD1 LEU 56 0.043 8.809 -9.949 458 1HD2 LEU 56 1HD2 LEU 56 3.635 10.446 -10.877 459 2HD2 LEU 56 2HD2 LEU 56 2.647 10.873 -12.295 460 3HD2 LEU 56 3HD2 LEU 56 2.147 11.401 -10.671 461 H ASP 57 H ASP 57 1.608 11.213 -8.333 462 HA ASP 57 HA ASP 57 -0.024 10.699 -6.213 463 1HB ASP 57 1HB ASP 57 -1.182 12.763 -6.815 464 2HB ASP 57 2HB ASP 57 0.529 12.960 -7.140 465 H THR 58 H THR 58 -1.905 9.464 -6.040 466 HA THR 58 HA THR 58 -3.127 8.512 -8.511 467 HB THR 58 HB THR 58 -2.396 6.994 -6.574 468 HG1 THR 58 HG1 THR 58 -4.055 6.399 -8.141 469 1HG2 THR 58 1HG2 THR 58 -3.188 8.348 -4.649 470 2HG2 THR 58 2HG2 THR 58 -4.847 8.316 -5.294 471 3HG2 THR 58 3HG2 THR 58 -4.087 6.814 -4.715 472 H ILE 59 H ILE 59 -5.066 9.125 -9.291 473 HA ILE 59 HA ILE 59 -6.391 11.256 -7.816 474 HB ILE 59 HB ILE 59 -5.705 11.521 -10.197 475 1HG1 ILE 59 1HG1 ILE 59 -8.151 12.282 -10.882 476 2HG1 ILE 59 2HG1 ILE 59 -8.504 11.918 -9.205 477 1HG2 ILE 59 1HG2 ILE 59 -7.090 10.474 -11.940 478 2HG2 ILE 59 2HG2 ILE 59 -6.157 9.278 -11.009 479 3HG2 ILE 59 3HG2 ILE 59 -7.897 9.489 -10.696 480 1HD1 ILE 59 1HD1 ILE 59 -6.389 13.852 -10.248 481 2HD1 ILE 59 2HD1 ILE 59 -7.863 14.255 -9.334 482 3HD1 ILE 59 3HD1 ILE 59 -6.533 13.379 -8.538 483 H ARG 60 H ARG 60 -8.378 11.052 -6.861 484 HA ARG 60 HA ARG 60 -9.389 8.369 -6.770 485 1HB ARG 60 1HB ARG 60 -9.214 9.516 -4.634 486 2HB ARG 60 2HB ARG 60 -10.053 10.928 -5.245 487 1HG ARG 60 1HG ARG 60 -11.655 8.474 -5.569 488 2HG ARG 60 2HG ARG 60 -11.220 8.753 -3.895 489 1HD ARG 60 1HD ARG 60 -12.048 11.260 -5.171 490 2HD ARG 60 2HD ARG 60 -13.289 10.036 -5.358 491 HE ARG 60 HE ARG 60 -12.474 9.857 -2.674 492 1HH1 ARG 60 1HH1 ARG 60 -13.868 12.327 -4.758 493 2HH1 ARG 60 2HH1 ARG 60 -14.690 13.135 -3.465 494 1HH2 ARG 60 1HH2 ARG 60 -13.559 10.923 -0.968 495 2HH2 ARG 60 2HH2 ARG 60 -14.514 12.331 -1.295 496 H GLU 61 H GLU 61 -11.268 7.682 -7.805 497 HA GLU 61 HA GLU 61 -12.554 9.657 -9.466 498 1HB GLU 61 1HB GLU 61 -13.648 7.648 -10.516 499 2HB GLU 61 2HB GLU 61 -11.897 7.606 -10.578 500 1HG GLU 61 1HG GLU 61 -13.069 6.367 -8.134 501 2HG GLU 61 2HG GLU 61 -13.487 5.552 -9.628 502 H ALA 62 H ALA 62 -14.871 10.008 -9.476 503 HA ALA 62 HA ALA 62 -16.031 9.541 -6.846 504 1HB ALA 62 1HB ALA 62 -17.645 11.080 -8.720 505 2HB ALA 62 2HB ALA 62 -16.942 11.574 -7.161 506 3HB ALA 62 3HB ALA 62 -15.978 11.702 -8.652 507 H LYS 63 H LYS 63 -17.842 8.269 -6.488 508 HA LYS 63 HA LYS 63 -18.608 6.601 -8.754 509 1HB LYS 63 1HB LYS 63 -17.796 5.546 -6.651 510 2HB LYS 63 2HB LYS 63 -19.154 6.245 -5.792 511 1HG LYS 63 1HG LYS 63 -20.236 4.306 -6.338 512 2HG LYS 63 2HG LYS 63 -20.461 5.056 -7.906 513 1HD LYS 63 1HD LYS 63 -17.847 3.645 -7.466 514 2HD LYS 63 2HD LYS 63 -19.270 2.629 -7.581 515 1HE LYS 63 1HE LYS 63 -19.606 4.473 -9.683 516 2HE LYS 63 2HE LYS 63 -17.884 4.147 -9.695 517 1HZ LYS 63 1HZ LYS 63 -19.858 2.538 -10.670 518 2HZ LYS 63 2HZ LYS 63 -18.278 2.156 -10.514 519 3HZ LYS 63 3HZ LYS 63 -19.333 1.768 -9.329 520 H GLU 64 H GLU 64 -20.540 6.806 -9.771 521 HA GLU 64 HA GLU 64 -22.372 8.720 -8.574 522 1HB GLU 64 1HB GLU 64 -21.520 9.230 -10.860 523 2HB GLU 64 2HB GLU 64 -22.181 7.718 -11.449 524 1HG GLU 64 1HG GLU 64 -24.307 8.551 -11.559 525 2HG GLU 64 2HG GLU 64 -24.188 9.316 -9.987 526 H ILE 65 H ILE 65 -24.554 8.188 -8.174 527 HA ILE 65 HA ILE 65 -25.092 5.319 -8.273 528 HB ILE 65 HB ILE 65 -26.916 5.909 -6.676 529 1HG1 ILE 65 1HG1 ILE 65 -25.570 8.618 -6.525 530 2HG1 ILE 65 2HG1 ILE 65 -27.055 8.323 -7.407 531 1HG2 ILE 65 1HG2 ILE 65 -25.075 6.688 -4.871 532 2HG2 ILE 65 2HG2 ILE 65 -25.212 5.024 -5.487 533 3HG2 ILE 65 3HG2 ILE 65 -24.002 6.131 -6.177 534 1HD1 ILE 65 1HD1 ILE 65 -27.927 7.270 -5.166 535 2HD1 ILE 65 2HD1 ILE 65 -26.565 8.142 -4.422 536 3HD1 ILE 65 3HD1 ILE 65 -27.828 9.042 -5.295 537 H ARG 66 H ARG 66 -26.651 4.449 -9.574 538 HA ARG 66 HA ARG 66 -28.079 6.392 -11.194 539 1HB ARG 66 1HB ARG 66 -27.087 3.572 -11.689 540 2HB ARG 66 2HB ARG 66 -28.457 4.152 -12.614 541 1HG ARG 66 1HG ARG 66 -26.500 6.251 -12.637 542 2HG ARG 66 2HG ARG 66 -25.642 4.760 -12.971 543 1HD ARG 66 1HD ARG 66 -26.406 4.851 -15.107 544 2HD ARG 66 2HD ARG 66 -28.030 4.588 -14.504 545 HE ARG 66 HE ARG 66 -27.159 7.376 -14.274 546 1HH1 ARG 66 1HH1 ARG 66 -28.640 4.987 -16.391 547 2HH1 ARG 66 2HH1 ARG 66 -29.446 6.166 -17.370 548 1HH2 ARG 66 1HH2 ARG 66 -28.222 8.933 -15.566 549 2HH2 ARG 66 2HH2 ARG 66 -29.206 8.426 -16.898 550 H THR 67 H THR 67 -30.255 6.624 -10.776 551 HA THR 67 HA THR 67 -31.572 4.448 -9.303 552 HB THR 67 HB THR 67 -33.183 6.329 -8.707 553 HG1 THR 67 HG1 THR 67 -32.528 8.419 -9.477 554 1HG2 THR 67 1HG2 THR 67 -30.370 7.333 -8.158 555 2HG2 THR 67 2HG2 THR 67 -31.786 7.342 -7.081 556 3HG2 THR 67 3HG2 THR 67 -30.923 5.819 -7.403 557 HA PRO 68 HA PRO 68 -34.031 3.577 -12.712 558 1HB PRO 68 1HB PRO 68 -36.125 2.297 -11.509 559 2HB PRO 68 2HB PRO 68 -34.595 1.515 -11.856 560 1HG PRO 68 1HG PRO 68 -35.646 2.460 -9.259 561 2HG PRO 68 2HG PRO 68 -34.351 1.321 -9.570 562 1HD PRO 68 1HD PRO 68 -34.073 4.060 -8.765 563 2HD PRO 68 2HD PRO 68 -32.780 2.956 -9.188 Start of MODEL 2 1 HA MET 1 HA MET 1 11.729 13.946 -12.185 2 1HB MET 1 1HB MET 1 12.063 16.602 -13.129 3 2HB MET 1 2HB MET 1 12.060 16.776 -11.385 4 1HG MET 1 1HG MET 1 14.338 16.359 -11.836 5 2HG MET 1 2HG MET 1 13.756 14.766 -11.395 6 1HE MET 1 1HE MET 1 15.513 16.777 -14.399 7 2HE MET 1 2HE MET 1 16.182 15.930 -12.984 8 3HE MET 1 3HE MET 1 16.355 15.224 -14.609 9 H ASP 2 H ASP 2 9.621 16.763 -11.253 10 HA ASP 2 HA ASP 2 9.703 16.005 -8.533 11 1HB ASP 2 1HB ASP 2 8.531 18.153 -10.196 12 2HB ASP 2 2HB ASP 2 7.487 17.692 -8.867 13 H ASP 3 H ASP 3 7.797 15.221 -11.382 14 HA ASP 3 HA ASP 3 5.336 14.735 -10.508 15 1HB ASP 3 1HB ASP 3 7.151 13.132 -12.337 16 2HB ASP 3 2HB ASP 3 5.515 12.583 -12.037 17 H ALA 4 H ALA 4 7.576 11.902 -10.863 18 HA ALA 4 HA ALA 4 6.336 10.689 -8.535 19 1HB ALA 4 1HB ALA 4 6.444 9.113 -10.218 20 2HB ALA 4 2HB ALA 4 7.943 9.786 -10.902 21 3HB ALA 4 3HB ALA 4 8.004 8.800 -9.421 22 H THR 5 H THR 5 7.506 10.008 -6.677 23 HA THR 5 HA THR 5 9.990 11.516 -6.296 24 HB THR 5 HB THR 5 7.607 11.021 -4.747 25 HG1 THR 5 HG1 THR 5 8.609 12.776 -3.718 26 1HG2 THR 5 1HG2 THR 5 10.197 10.198 -3.340 27 2HG2 THR 5 2HG2 THR 5 8.565 10.272 -2.632 28 3HG2 THR 5 3HG2 THR 5 8.954 9.028 -3.845 29 HA PRO 6 HA PRO 6 12.343 7.925 -6.339 30 1HB PRO 6 1HB PRO 6 14.584 8.788 -5.035 31 2HB PRO 6 2HB PRO 6 14.272 9.121 -6.727 32 1HG PRO 6 1HG PRO 6 14.058 10.943 -4.409 33 2HG PRO 6 2HG PRO 6 14.168 11.341 -6.112 34 1HD PRO 6 1HD PRO 6 11.807 11.401 -4.485 35 2HD PRO 6 2HD PRO 6 11.897 11.687 -6.211 36 H ALA 7 H ALA 7 11.542 6.189 -5.320 37 HA ALA 7 HA ALA 7 12.107 6.169 -2.439 38 1HB ALA 7 1HB ALA 7 9.947 5.091 -2.058 39 2HB ALA 7 2HB ALA 7 9.699 6.650 -2.881 40 3HB ALA 7 3HB ALA 7 9.589 5.131 -3.802 41 H GLU 8 H GLU 8 12.329 3.943 -1.552 42 HA GLU 8 HA GLU 8 13.117 2.095 -3.668 43 1HB GLU 8 1HB GLU 8 14.481 2.630 -0.996 44 2HB GLU 8 2HB GLU 8 14.866 1.256 -2.012 45 1HG GLU 8 1HG GLU 8 14.856 3.739 -3.575 46 2HG GLU 8 2HG GLU 8 15.944 3.868 -2.207 47 H VAL 9 H VAL 9 12.310 0.006 -3.521 48 HA VAL 9 HA VAL 9 10.102 -0.509 -1.987 49 HB VAL 9 HB VAL 9 12.067 -2.585 -2.956 50 1HG1 VAL 9 1HG1 VAL 9 9.138 -2.927 -3.276 51 2HG1 VAL 9 2HG1 VAL 9 10.388 -4.098 -2.792 52 3HG1 VAL 9 3HG1 VAL 9 9.742 -2.942 -1.602 53 1HG2 VAL 9 1HG2 VAL 9 11.908 -1.556 -4.960 54 2HG2 VAL 9 2HG2 VAL 9 10.298 -2.315 -5.015 55 3HG2 VAL 9 3HG2 VAL 9 10.467 -0.624 -4.486 56 H ILE 10 H ILE 10 9.800 -0.765 0.160 57 HA ILE 10 HA ILE 10 12.149 -1.508 1.741 58 HB ILE 10 HB ILE 10 10.888 -0.556 3.631 59 1HG1 ILE 10 1HG1 ILE 10 8.959 1.051 2.429 60 2HG1 ILE 10 2HG1 ILE 10 8.736 -0.504 1.653 61 1HG2 ILE 10 1HG2 ILE 10 10.943 1.584 1.543 62 2HG2 ILE 10 2HG2 ILE 10 11.571 1.588 3.209 63 3HG2 ILE 10 3HG2 ILE 10 12.449 0.717 1.928 64 1HD1 ILE 10 1HD1 ILE 10 8.342 0.268 4.513 65 2HD1 ILE 10 2HD1 ILE 10 7.461 -0.921 3.524 66 3HD1 ILE 10 3HD1 ILE 10 9.040 -1.345 4.229 67 H GLU 11 H GLU 11 8.737 -2.322 0.994 68 HA GLU 11 HA GLU 11 9.273 -4.905 2.211 69 1HB GLU 11 1HB GLU 11 7.949 -3.928 3.910 70 2HB GLU 11 2HB GLU 11 6.943 -3.058 2.769 71 1HG GLU 11 1HG GLU 11 5.776 -5.035 3.796 72 2HG GLU 11 2HG GLU 11 5.843 -5.114 2.047 73 H VAL 12 H VAL 12 8.413 -6.680 1.070 74 HA VAL 12 HA VAL 12 6.888 -5.967 -1.339 75 HB VAL 12 HB VAL 12 8.927 -6.491 -2.238 76 1HG1 VAL 12 1HG1 VAL 12 9.997 -7.050 -0.059 77 2HG1 VAL 12 2HG1 VAL 12 9.337 -8.698 -0.194 78 3HG1 VAL 12 3HG1 VAL 12 10.516 -8.111 -1.391 79 1HG2 VAL 12 1HG2 VAL 12 7.447 -9.125 -1.975 80 2HG2 VAL 12 2HG2 VAL 12 7.348 -7.941 -3.300 81 3HG2 VAL 12 3HG2 VAL 12 8.841 -8.878 -3.054 82 H LEU 13 H LEU 13 5.036 -7.140 -1.707 83 HA LEU 13 HA LEU 13 4.488 -9.235 0.273 84 1HB LEU 13 1HB LEU 13 2.249 -8.090 -1.251 85 2HB LEU 13 2HB LEU 13 2.375 -8.507 0.447 86 HG LEU 13 HG LEU 13 2.044 -6.180 0.382 87 1HD1 LEU 13 1HD1 LEU 13 3.758 -5.440 1.693 88 2HD1 LEU 13 2HD1 LEU 13 4.107 -7.185 1.710 89 3HD1 LEU 13 3HD1 LEU 13 5.019 -6.105 0.628 90 1HD2 LEU 13 1HD2 LEU 13 2.509 -4.930 -1.388 91 2HD2 LEU 13 2HD2 LEU 13 4.255 -5.170 -1.140 92 3HD2 LEU 13 3HD2 LEU 13 3.331 -6.321 -2.135 93 H LYS 14 H LYS 14 4.898 -11.221 -0.543 94 HA LYS 14 HA LYS 14 3.841 -11.763 -3.218 95 1HB LYS 14 1HB LYS 14 5.812 -12.963 -3.863 96 2HB LYS 14 2HB LYS 14 6.286 -11.348 -3.375 97 1HG LYS 14 1HG LYS 14 6.435 -12.744 -0.969 98 2HG LYS 14 2HG LYS 14 6.934 -13.961 -2.127 99 1HD LYS 14 1HD LYS 14 8.997 -12.986 -1.903 100 2HD LYS 14 2HD LYS 14 8.374 -11.828 -3.061 101 1HE LYS 14 1HE LYS 14 8.960 -10.301 -1.444 102 2HE LYS 14 2HE LYS 14 7.392 -10.711 -0.777 103 1HZ LYS 14 1HZ LYS 14 8.888 -12.619 0.263 104 2HZ LYS 14 2HZ LYS 14 10.006 -11.433 0.162 105 3HZ LYS 14 3HZ LYS 14 8.627 -11.186 1.002 106 H ARG 15 H ARG 15 2.740 -13.693 -3.394 107 HA ARG 15 HA ARG 15 2.895 -15.396 -1.041 108 1HB ARG 15 1HB ARG 15 0.634 -13.894 -1.951 109 2HB ARG 15 2HB ARG 15 0.287 -15.566 -2.345 110 1HG ARG 15 1HG ARG 15 1.302 -14.752 0.409 111 2HG ARG 15 2HG ARG 15 -0.405 -14.727 0.014 112 1HD ARG 15 1HD ARG 15 0.820 -17.257 -0.830 113 2HD ARG 15 2HD ARG 15 1.104 -16.966 0.874 114 HE ARG 15 HE ARG 15 -1.445 -17.592 -0.363 115 1HH1 ARG 15 1HH1 ARG 15 0.018 -15.825 2.306 116 2HH1 ARG 15 2HH1 ARG 15 -1.400 -15.897 3.298 117 1HH2 ARG 15 1HH2 ARG 15 -3.315 -17.687 0.946 118 2HH2 ARG 15 2HH2 ARG 15 -3.309 -16.963 2.519 119 H THR 16 H THR 16 2.695 -17.689 -1.457 120 HA THR 16 HA THR 16 2.674 -18.399 -4.316 121 HB THR 16 HB THR 16 4.373 -20.186 -3.587 122 HG1 THR 16 HG1 THR 16 3.964 -20.058 -1.303 123 1HG2 THR 16 1HG2 THR 16 6.039 -18.060 -2.789 124 2HG2 THR 16 2HG2 THR 16 5.809 -18.626 -4.461 125 3HG2 THR 16 3HG2 THR 16 4.828 -17.280 -3.834 126 H GLY 17 H GLY 17 1.018 -19.655 -4.865 127 1HA GLY 17 1HA GLY 17 0.252 -21.881 -3.229 128 2HA GLY 17 2HA GLY 17 -0.919 -20.578 -3.169 129 H MET 18 H MET 18 1.168 -22.120 -5.729 130 HA MET 18 HA MET 18 0.624 -23.101 -7.609 131 1HB MET 18 1HB MET 18 -1.703 -23.493 -6.116 132 2HB MET 18 2HB MET 18 -2.330 -22.638 -7.512 133 1HG MET 18 1HG MET 18 -0.442 -24.655 -8.417 134 2HG MET 18 2HG MET 18 -1.597 -25.405 -7.333 135 1HE MET 18 1HE MET 18 -1.437 -26.519 -9.634 136 2HE MET 18 2HE MET 18 -3.190 -26.769 -9.819 137 3HE MET 18 3HE MET 18 -2.264 -25.970 -11.111 138 H THR 19 H THR 19 -1.727 -20.401 -6.956 139 HA THR 19 HA THR 19 -1.277 -19.434 -9.677 140 HB THR 19 HB THR 19 -3.301 -18.857 -7.462 141 HG1 THR 19 HG1 THR 19 -4.633 -19.778 -9.206 142 1HG2 THR 19 1HG2 THR 19 -4.296 -17.168 -8.772 143 2HG2 THR 19 2HG2 THR 19 -2.572 -16.822 -9.046 144 3HG2 THR 19 3HG2 THR 19 -3.503 -17.726 -10.265 145 H GLY 20 H GLY 20 0.288 -18.021 -10.096 146 1HA GLY 20 1HA GLY 20 0.662 -15.735 -8.390 147 2HA GLY 20 2HA GLY 20 1.987 -16.878 -8.307 148 H GLU 21 H GLU 21 0.274 -14.523 -10.308 149 HA GLU 21 HA GLU 21 2.328 -14.912 -12.345 150 1HB GLU 21 1HB GLU 21 0.103 -15.385 -13.242 151 2HB GLU 21 2HB GLU 21 -0.524 -13.873 -12.617 152 1HG GLU 21 1HG GLU 21 1.050 -12.608 -14.096 153 2HG GLU 21 2HG GLU 21 1.681 -14.120 -14.719 154 H VAL 22 H VAL 22 0.168 -12.421 -10.809 155 HA VAL 22 HA VAL 22 2.367 -10.507 -11.188 156 HB VAL 22 HB VAL 22 -0.626 -10.196 -11.316 157 1HG1 VAL 22 1HG1 VAL 22 0.529 -7.663 -11.713 158 2HG1 VAL 22 2HG1 VAL 22 -0.486 -8.189 -10.349 159 3HG1 VAL 22 3HG1 VAL 22 1.286 -8.305 -10.236 160 1HG2 VAL 22 1HG2 VAL 22 0.978 -8.793 -13.297 161 2HG2 VAL 22 2HG2 VAL 22 1.353 -10.533 -13.265 162 3HG2 VAL 22 3HG2 VAL 22 -0.322 -9.988 -13.521 163 H MET 23 H MET 23 3.395 -10.036 -9.321 164 HA MET 23 HA MET 23 1.869 -10.422 -6.875 165 1HB MET 23 1HB MET 23 4.020 -10.757 -5.795 166 2HB MET 23 2HB MET 23 4.102 -11.644 -7.304 167 1HG MET 23 1HG MET 23 4.987 -9.119 -8.080 168 2HG MET 23 2HG MET 23 5.617 -9.235 -6.449 169 1HE MET 23 1HE MET 23 8.822 -10.838 -7.150 170 2HE MET 23 2HE MET 23 7.973 -9.308 -6.826 171 3HE MET 23 3HE MET 23 7.686 -10.722 -5.785 172 H GLN 24 H GLN 24 2.305 -8.849 -5.049 173 HA GLN 24 HA GLN 24 2.572 -6.189 -6.201 174 1HB GLN 24 1HB GLN 24 1.258 -5.402 -4.261 175 2HB GLN 24 2HB GLN 24 0.395 -6.651 -5.137 176 1HG GLN 24 1HG GLN 24 1.999 -8.014 -3.204 177 2HG GLN 24 2HG GLN 24 1.288 -6.649 -2.364 178 1HE2 GLN 24 1HE2 GLN 24 -0.634 -6.920 -1.540 179 2HE2 GLN 24 2HE2 GLN 24 -1.835 -8.070 -2.025 180 H VAL 25 H VAL 25 3.643 -4.503 -4.793 181 HA VAL 25 HA VAL 25 5.530 -5.658 -2.886 182 HB VAL 25 HB VAL 25 6.367 -5.328 -5.372 183 1HG1 VAL 25 1HG1 VAL 25 7.315 -3.189 -5.845 184 2HG1 VAL 25 2HG1 VAL 25 5.623 -2.910 -5.368 185 3HG1 VAL 25 3HG1 VAL 25 6.938 -2.586 -4.213 186 1HG2 VAL 25 1HG2 VAL 25 7.939 -6.173 -3.914 187 2HG2 VAL 25 2HG2 VAL 25 8.647 -4.578 -4.268 188 3HG2 VAL 25 3HG2 VAL 25 7.747 -4.836 -2.755 189 H LYS 26 H LYS 26 6.565 -3.913 -1.524 190 HA LYS 26 HA LYS 26 4.763 -1.600 -1.347 191 1HB LYS 26 1HB LYS 26 4.596 -3.510 0.438 192 2HB LYS 26 2HB LYS 26 6.074 -2.815 1.072 193 1HG LYS 26 1HG LYS 26 4.701 -0.517 0.817 194 2HG LYS 26 2HG LYS 26 3.320 -1.592 0.904 195 1HD LYS 26 1HD LYS 26 5.584 -1.559 2.955 196 2HD LYS 26 2HD LYS 26 4.077 -0.688 3.151 197 1HE LYS 26 1HE LYS 26 3.488 -3.442 2.430 198 2HE LYS 26 2HE LYS 26 4.610 -3.433 3.776 199 1HZ LYS 26 1HZ LYS 26 2.924 -2.902 5.060 200 2HZ LYS 26 2HZ LYS 26 2.721 -1.486 4.273 201 3HZ LYS 26 3HZ LYS 26 1.898 -2.813 3.792 202 H CYS 27 H CYS 27 5.717 0.405 -1.188 203 HA CYS 27 HA CYS 27 8.589 0.451 -0.714 204 1HB CYS 27 1HB CYS 27 8.932 0.650 -2.939 205 2HB CYS 27 2HB CYS 27 7.268 1.085 -3.274 206 HG CYS 27 HG CYS 27 7.418 3.539 -2.350 207 H ARG 28 H ARG 28 9.145 2.193 0.607 208 HA ARG 28 HA ARG 28 6.933 3.933 1.287 209 1HB ARG 28 1HB ARG 28 8.077 2.658 3.128 210 2HB ARG 28 2HB ARG 28 9.588 3.451 2.733 211 1HG ARG 28 1HG ARG 28 7.597 5.509 3.045 212 2HG ARG 28 2HG ARG 28 7.435 4.417 4.406 213 1HD ARG 28 1HD ARG 28 10.264 4.941 3.847 214 2HD ARG 28 2HD ARG 28 9.394 6.446 4.066 215 HE ARG 28 HE ARG 28 9.050 5.907 6.326 216 1HH1 ARG 28 1HH1 ARG 28 10.112 3.041 4.582 217 2HH1 ARG 28 2HH1 ARG 28 10.328 2.092 6.015 218 1HH2 ARG 28 1HH2 ARG 28 9.335 4.656 8.217 219 2HH2 ARG 28 2HH2 ARG 28 9.884 3.018 8.097 220 H ILE 29 H ILE 29 7.102 6.217 1.105 221 HA ILE 29 HA ILE 29 8.784 7.217 -0.856 222 HB ILE 29 HB ILE 29 6.987 8.381 1.221 223 1HG1 ILE 29 1HG1 ILE 29 7.007 7.942 -1.715 224 2HG1 ILE 29 2HG1 ILE 29 5.694 7.814 -0.561 225 1HG2 ILE 29 1HG2 ILE 29 8.651 10.120 -0.612 226 2HG2 ILE 29 2HG2 ILE 29 7.510 10.630 0.655 227 3HG2 ILE 29 3HG2 ILE 29 9.039 9.837 1.102 228 1HD1 ILE 29 1HD1 ILE 29 5.371 9.742 -2.097 229 2HD1 ILE 29 2HD1 ILE 29 5.545 10.285 -0.410 230 3HD1 ILE 29 3HD1 ILE 29 6.912 10.438 -1.541 231 H LEU 30 H LEU 30 10.931 7.577 -0.864 232 HA LEU 30 HA LEU 30 12.328 7.579 1.658 233 1HB LEU 30 1HB LEU 30 13.089 7.436 -1.234 234 2HB LEU 30 2HB LEU 30 14.296 7.877 -0.043 235 HG LEU 30 HG LEU 30 12.708 5.300 -0.142 236 1HD1 LEU 30 1HD1 LEU 30 15.157 4.413 -0.291 237 2HD1 LEU 30 2HD1 LEU 30 14.351 5.053 -1.743 238 3HD1 LEU 30 3HD1 LEU 30 15.522 6.060 -0.858 239 1HD2 LEU 30 1HD2 LEU 30 14.258 4.623 1.757 240 2HD2 LEU 30 2HD2 LEU 30 14.603 6.358 1.957 241 3HD2 LEU 30 3HD2 LEU 30 12.942 5.752 2.159 242 H ASP 31 H ASP 31 11.075 9.862 -0.701 243 HA ASP 31 HA ASP 31 11.775 11.985 1.022 244 1HB ASP 31 1HB ASP 31 13.040 13.290 -0.735 245 2HB ASP 31 2HB ASP 31 13.914 11.906 -0.110 246 H GLY 32 H GLY 32 10.678 14.030 0.268 247 1HA GLY 32 1HA GLY 32 9.448 14.706 -1.959 248 2HA GLY 32 2HA GLY 32 8.386 13.412 -1.439 249 H ARG 33 H ARG 33 6.842 15.382 -1.433 250 HA ARG 33 HA ARG 33 7.216 17.211 0.691 251 1HB ARG 33 1HB ARG 33 5.997 18.007 -1.231 252 2HB ARG 33 2HB ARG 33 4.932 16.616 -1.236 253 1HG ARG 33 1HG ARG 33 4.902 18.211 1.289 254 2HG ARG 33 2HG ARG 33 4.294 19.053 -0.122 255 1HD ARG 33 1HD ARG 33 3.171 16.427 -0.238 256 2HD ARG 33 2HD ARG 33 3.021 16.939 1.431 257 HE ARG 33 HE ARG 33 1.513 17.967 -0.790 258 1HH1 ARG 33 1HH1 ARG 33 3.080 19.035 2.174 259 2HH1 ARG 33 2HH1 ARG 33 2.026 20.392 2.393 260 1HH2 ARG 33 1HH2 ARG 33 0.123 19.757 -0.501 261 2HH2 ARG 33 2HH2 ARG 33 0.333 20.805 0.861 262 H ASP 34 H ASP 34 5.685 14.064 0.220 263 HA ASP 34 HA ASP 34 4.067 14.346 2.567 264 1HB ASP 34 1HB ASP 34 4.637 11.954 0.755 265 2HB ASP 34 2HB ASP 34 3.476 11.938 2.067 266 H LYS 35 H LYS 35 6.789 12.247 1.347 267 HA LYS 35 HA LYS 35 8.373 11.106 2.378 268 1HB LYS 35 1HB LYS 35 8.506 13.621 3.401 269 2HB LYS 35 2HB LYS 35 8.307 12.700 4.878 270 1HG LYS 35 1HG LYS 35 10.291 11.441 4.521 271 2HG LYS 35 2HG LYS 35 10.312 11.775 2.801 272 1HD LYS 35 1HD LYS 35 10.662 13.975 4.881 273 2HD LYS 35 2HD LYS 35 12.020 13.058 4.260 274 1HE LYS 35 1HE LYS 35 11.971 14.109 2.214 275 2HE LYS 35 2HE LYS 35 10.220 14.113 2.141 276 1HZ LYS 35 1HZ LYS 35 10.740 16.305 2.435 277 2HZ LYS 35 2HZ LYS 35 10.440 15.860 3.978 278 3HZ LYS 35 3HZ LYS 35 11.980 16.023 3.460 279 H GLY 36 H GLY 36 8.423 9.148 3.404 280 1HA GLY 36 1HA GLY 36 7.896 7.552 4.942 281 2HA GLY 36 2HA GLY 36 6.846 8.681 5.776 282 H ARG 37 H ARG 37 5.828 9.135 2.704 283 HA ARG 37 HA ARG 37 3.492 7.704 3.094 284 1HB ARG 37 1HB ARG 37 4.543 9.609 1.213 285 2HB ARG 37 2HB ARG 37 3.913 8.272 0.272 286 1HG ARG 37 1HG ARG 37 1.860 8.524 2.030 287 2HG ARG 37 2HG ARG 37 2.456 10.171 2.093 288 1HD ARG 37 1HD ARG 37 2.289 10.333 -0.399 289 2HD ARG 37 2HD ARG 37 1.707 8.681 -0.471 290 HE ARG 37 HE ARG 37 0.190 11.037 0.422 291 1HH1 ARG 37 1HH1 ARG 37 0.378 7.523 0.427 292 2HH1 ARG 37 2HH1 ARG 37 -1.311 7.306 0.745 293 1HH2 ARG 37 1HH2 ARG 37 -2.038 10.751 0.841 294 2HH2 ARG 37 2HH2 ARG 37 -2.694 9.155 0.982 295 H ILE 38 H ILE 38 2.916 5.598 2.570 296 HA ILE 38 HA ILE 38 4.776 4.141 0.823 297 HB ILE 38 HB ILE 38 3.310 3.097 3.248 298 1HG1 ILE 38 1HG1 ILE 38 6.144 2.862 3.464 299 2HG1 ILE 38 2HG1 ILE 38 5.788 4.521 3.027 300 1HG2 ILE 38 1HG2 ILE 38 3.472 1.181 2.062 301 2HG2 ILE 38 2HG2 ILE 38 4.790 1.792 1.034 302 3HG2 ILE 38 3HG2 ILE 38 5.141 1.211 2.680 303 1HD1 ILE 38 1HD1 ILE 38 4.190 4.720 4.897 304 2HD1 ILE 38 2HD1 ILE 38 4.440 3.007 5.311 305 3HD1 ILE 38 3HD1 ILE 38 5.772 4.172 5.501 306 H LEU 39 H LEU 39 3.887 3.036 -0.882 307 HA LEU 39 HA LEU 39 0.968 2.793 -0.891 308 1HB LEU 39 1HB LEU 39 2.679 3.894 -3.125 309 2HB LEU 39 2HB LEU 39 0.990 3.452 -3.283 310 HG LEU 39 HG LEU 39 0.431 5.157 -1.532 311 1HD1 LEU 39 1HD1 LEU 39 3.336 5.309 -1.377 312 2HD1 LEU 39 2HD1 LEU 39 2.586 6.904 -1.628 313 3HD1 LEU 39 3HD1 LEU 39 2.092 5.895 -0.246 314 1HD2 LEU 39 1HD2 LEU 39 1.250 7.133 -3.167 315 2HD2 LEU 39 2HD2 LEU 39 1.500 5.733 -4.238 316 3HD2 LEU 39 3HD2 LEU 39 -0.108 6.043 -3.539 317 H THR 40 H THR 40 0.160 1.009 -2.152 318 HA THR 40 HA THR 40 2.264 -0.956 -2.785 319 HB THR 40 HB THR 40 -0.484 -1.894 -2.078 320 HG1 THR 40 HG1 THR 40 -0.385 -0.956 -0.058 321 1HG2 THR 40 1HG2 THR 40 0.769 -3.501 -0.719 322 2HG2 THR 40 2HG2 THR 40 1.574 -3.394 -2.303 323 3HG2 THR 40 3HG2 THR 40 2.263 -2.549 -0.895 324 H ARG 41 H ARG 41 2.240 -1.962 -4.741 325 HA ARG 41 HA ARG 41 -0.115 -1.559 -6.359 326 1HB ARG 41 1HB ARG 41 2.606 -0.408 -6.882 327 2HB ARG 41 2HB ARG 41 1.815 -1.136 -8.266 328 1HG ARG 41 1HG ARG 41 0.880 0.964 -8.454 329 2HG ARG 41 2HG ARG 41 -0.286 0.293 -7.331 330 1HD ARG 41 1HD ARG 41 0.735 1.363 -5.442 331 2HD ARG 41 2HD ARG 41 2.225 1.673 -6.310 332 HE ARG 41 HE ARG 41 -0.118 3.353 -6.304 333 1HH1 ARG 41 1HH1 ARG 41 2.465 2.236 -8.417 334 2HH1 ARG 41 2HH1 ARG 41 2.409 3.634 -9.437 335 1HH2 ARG 41 1HH2 ARG 41 -0.192 5.199 -7.650 336 2HH2 ARG 41 2HH2 ARG 41 0.887 5.331 -8.998 337 H ASN 42 H ASN 42 -0.284 -3.142 -8.129 338 HA ASN 42 HA ASN 42 1.143 -5.536 -7.473 339 1HB ASN 42 1HB ASN 42 -0.418 -6.609 -9.082 340 2HB ASN 42 2HB ASN 42 -1.308 -5.596 -7.963 341 1HD2 ASN 42 1HD2 ASN 42 -2.113 -3.589 -8.626 342 2HD2 ASN 42 2HD2 ASN 42 -2.374 -3.196 -10.293 343 H VAL 43 H VAL 43 3.022 -6.126 -8.571 344 HA VAL 43 HA VAL 43 3.304 -5.228 -11.340 345 HB VAL 43 HB VAL 43 4.514 -3.605 -10.085 346 1HG1 VAL 43 1HG1 VAL 43 6.576 -4.943 -8.747 347 2HG1 VAL 43 2HG1 VAL 43 5.187 -4.106 -8.014 348 3HG1 VAL 43 3HG1 VAL 43 5.103 -5.854 -8.337 349 1HG2 VAL 43 1HG2 VAL 43 5.605 -5.015 -12.094 350 2HG2 VAL 43 2HG2 VAL 43 6.451 -3.674 -11.284 351 3HG2 VAL 43 3HG2 VAL 43 6.807 -5.358 -10.827 352 H MET 44 H MET 44 4.051 -6.818 -12.693 353 HA MET 44 HA MET 44 4.488 -9.372 -11.440 354 1HB MET 44 1HB MET 44 2.963 -9.269 -13.368 355 2HB MET 44 2HB MET 44 4.156 -8.426 -14.336 356 1HG MET 44 1HG MET 44 5.254 -10.947 -13.317 357 2HG MET 44 2HG MET 44 3.759 -11.233 -14.184 358 1HE MET 44 1HE MET 44 6.516 -12.417 -15.717 359 2HE MET 44 2HE MET 44 7.660 -11.072 -15.943 360 3HE MET 44 3HE MET 44 7.057 -11.464 -14.315 361 H GLY 45 H GLY 45 6.473 -10.318 -11.168 362 1HA GLY 45 1HA GLY 45 8.586 -10.693 -12.556 363 2HA GLY 45 2HA GLY 45 8.777 -8.958 -12.408 364 HA PRO 46 HA PRO 46 10.350 -11.187 -8.626 365 1HB PRO 46 1HB PRO 46 12.988 -11.590 -9.215 366 2HB PRO 46 2HB PRO 46 11.769 -12.839 -9.373 367 1HG PRO 46 1HG PRO 46 13.096 -11.265 -11.494 368 2HG PRO 46 2HG PRO 46 12.216 -12.774 -11.635 369 1HD PRO 46 1HD PRO 46 11.272 -10.163 -12.356 370 2HD PRO 46 2HD PRO 46 10.354 -11.656 -12.387 371 H ILE 47 H ILE 47 9.771 -9.137 -7.771 372 HA ILE 47 HA ILE 47 12.171 -7.458 -7.578 373 HB ILE 47 HB ILE 47 10.439 -6.549 -9.134 374 1HG1 ILE 47 1HG1 ILE 47 10.501 -4.553 -6.970 375 2HG1 ILE 47 2HG1 ILE 47 12.059 -5.279 -7.308 376 1HG2 ILE 47 1HG2 ILE 47 8.313 -6.048 -8.525 377 2HG2 ILE 47 2HG2 ILE 47 8.584 -7.404 -7.404 378 3HG2 ILE 47 3HG2 ILE 47 8.749 -5.727 -6.830 379 1HD1 ILE 47 1HD1 ILE 47 11.851 -4.718 -9.703 380 2HD1 ILE 47 2HD1 ILE 47 10.222 -4.060 -9.420 381 3HD1 ILE 47 3HD1 ILE 47 11.642 -3.256 -8.710 382 H ARG 48 H ARG 48 12.866 -7.196 -5.524 383 HA ARG 48 HA ARG 48 10.853 -7.554 -3.455 384 1HB ARG 48 1HB ARG 48 12.675 -8.619 -2.047 385 2HB ARG 48 2HB ARG 48 12.225 -9.569 -3.449 386 1HG ARG 48 1HG ARG 48 14.529 -7.590 -3.584 387 2HG ARG 48 2HG ARG 48 14.771 -9.207 -2.955 388 1HD ARG 48 1HD ARG 48 13.314 -9.596 -5.353 389 2HD ARG 48 2HD ARG 48 14.463 -8.331 -5.741 390 HE ARG 48 HE ARG 48 16.059 -10.129 -4.431 391 1HH1 ARG 48 1HH1 ARG 48 13.724 -10.523 -7.034 392 2HH1 ARG 48 2HH1 ARG 48 14.543 -11.879 -7.735 393 1HH2 ARG 48 1HH2 ARG 48 17.140 -11.918 -5.355 394 2HH2 ARG 48 2HH2 ARG 48 16.499 -12.677 -6.774 395 H GLU 49 H GLU 49 11.442 -6.438 -1.351 396 HA GLU 49 HA GLU 49 11.881 -3.868 -1.551 397 1HB GLU 49 1HB GLU 49 13.152 -4.224 0.820 398 2HB GLU 49 2HB GLU 49 11.418 -4.395 0.630 399 1HG GLU 49 1HG GLU 49 11.483 -6.647 0.999 400 2HG GLU 49 2HG GLU 49 12.845 -6.874 -0.080 401 H GLY 50 H GLY 50 13.552 -2.365 -1.802 402 1HA GLY 50 1HA GLY 50 15.946 -1.944 -1.481 403 2HA GLY 50 2HA GLY 50 16.252 -3.511 -2.204 404 H ASP 51 H ASP 51 13.753 -2.874 -4.048 405 HA ASP 51 HA ASP 51 15.373 -1.810 -6.123 406 1HB ASP 51 1HB ASP 51 12.906 -3.303 -5.863 407 2HB ASP 51 2HB ASP 51 12.590 -1.902 -6.867 408 H ILE 52 H ILE 52 14.140 -0.046 -7.626 409 HA ILE 52 HA ILE 52 13.310 2.093 -5.804 410 HB ILE 52 HB ILE 52 14.260 2.420 -8.639 411 1HG1 ILE 52 1HG1 ILE 52 15.989 2.361 -6.148 412 2HG1 ILE 52 2HG1 ILE 52 15.962 1.131 -7.395 413 1HG2 ILE 52 1HG2 ILE 52 13.241 4.390 -7.882 414 2HG2 ILE 52 2HG2 ILE 52 13.937 4.235 -6.251 415 3HG2 ILE 52 3HG2 ILE 52 14.982 4.659 -7.628 416 1HD1 ILE 52 1HD1 ILE 52 17.662 2.359 -8.312 417 2HD1 ILE 52 2HD1 ILE 52 16.345 3.387 -8.927 418 3HD1 ILE 52 3HD1 ILE 52 17.199 3.834 -7.430 419 H LEU 53 H LEU 53 11.430 3.331 -6.245 420 HA LEU 53 HA LEU 53 9.762 2.359 -8.431 421 1HB LEU 53 1HB LEU 53 9.289 1.935 -5.564 422 2HB LEU 53 2HB LEU 53 7.937 2.661 -6.410 423 HG LEU 53 HG LEU 53 8.053 0.774 -8.074 424 1HD1 LEU 53 1HD1 LEU 53 9.278 -1.257 -6.653 425 2HD1 LEU 53 2HD1 LEU 53 9.926 -0.435 -8.093 426 3HD1 LEU 53 3HD1 LEU 53 10.400 0.113 -6.467 427 1HD2 LEU 53 1HD2 LEU 53 7.119 -0.939 -6.414 428 2HD2 LEU 53 2HD2 LEU 53 7.427 0.290 -5.164 429 3HD2 LEU 53 3HD2 LEU 53 6.317 0.647 -6.508 430 H MET 54 H MET 54 7.905 3.878 -8.854 431 HA MET 54 HA MET 54 8.778 6.571 -8.151 432 1HB MET 54 1HB MET 54 7.287 5.418 -10.566 433 2HB MET 54 2HB MET 54 7.379 7.144 -10.279 434 1HG MET 54 1HG MET 54 10.024 5.846 -10.076 435 2HG MET 54 2HG MET 54 9.283 5.589 -11.643 436 1HE MET 54 1HE MET 54 10.110 9.330 -9.373 437 2HE MET 54 2HE MET 54 10.537 7.637 -9.027 438 3HE MET 54 3HE MET 54 11.609 8.637 -10.037 439 H LEU 55 H LEU 55 7.490 7.672 -6.743 440 HA LEU 55 HA LEU 55 4.748 6.707 -6.423 441 1HB LEU 55 1HB LEU 55 6.489 8.406 -4.631 442 2HB LEU 55 2HB LEU 55 4.831 7.955 -4.289 443 HG LEU 55 HG LEU 55 6.754 6.629 -3.186 444 1HD1 LEU 55 1HD1 LEU 55 5.005 4.596 -4.358 445 2HD1 LEU 55 2HD1 LEU 55 5.192 5.122 -2.667 446 3HD1 LEU 55 3HD1 LEU 55 4.127 6.028 -3.769 447 1HD2 LEU 55 1HD2 LEU 55 6.713 5.151 -5.825 448 2HD2 LEU 55 2HD2 LEU 55 7.984 6.303 -5.353 449 3HD2 LEU 55 3HD2 LEU 55 7.724 4.824 -4.398 450 H LEU 56 H LEU 56 3.275 7.742 -7.656 451 HA LEU 56 HA LEU 56 3.801 10.537 -8.316 452 1HB LEU 56 1HB LEU 56 3.350 8.811 -10.085 453 2HB LEU 56 2HB LEU 56 1.722 8.668 -9.455 454 HG LEU 56 HG LEU 56 2.005 10.133 -11.488 455 1HD1 LEU 56 1HD1 LEU 56 0.173 11.339 -10.925 456 2HD1 LEU 56 2HD1 LEU 56 0.196 10.253 -9.514 457 3HD1 LEU 56 3HD1 LEU 56 0.868 11.897 -9.384 458 1HD2 LEU 56 1HD2 LEU 56 4.123 11.199 -10.806 459 2HD2 LEU 56 2HD2 LEU 56 2.862 12.384 -11.224 460 3HD2 LEU 56 3HD2 LEU 56 3.255 12.067 -9.517 461 H ASP 57 H ASP 57 2.402 12.214 -7.742 462 HA ASP 57 HA ASP 57 1.129 11.983 -5.350 463 1HB ASP 57 1HB ASP 57 0.543 13.916 -7.642 464 2HB ASP 57 2HB ASP 57 -0.004 14.150 -5.994 465 H THR 58 H THR 58 -0.840 11.037 -4.780 466 HA THR 58 HA THR 58 -2.650 10.294 -6.956 467 HB THR 58 HB THR 58 -2.686 9.440 -4.021 468 HG1 THR 58 HG1 THR 58 -1.403 8.303 -6.405 469 1HG2 THR 58 1HG2 THR 58 -3.466 7.269 -5.295 470 2HG2 THR 58 2HG2 THR 58 -4.647 8.584 -5.082 471 3HG2 THR 58 3HG2 THR 58 -3.815 8.378 -6.642 472 H ILE 59 H ILE 59 -4.544 11.272 -7.331 473 HA ILE 59 HA ILE 59 -5.237 13.469 -5.585 474 HB ILE 59 HB ILE 59 -6.201 12.522 -8.275 475 1HG1 ILE 59 1HG1 ILE 59 -5.383 15.195 -8.363 476 2HG1 ILE 59 2HG1 ILE 59 -4.212 14.422 -7.314 477 1HG2 ILE 59 1HG2 ILE 59 -8.137 13.352 -7.015 478 2HG2 ILE 59 2HG2 ILE 59 -7.266 14.867 -6.677 479 3HG2 ILE 59 3HG2 ILE 59 -7.696 14.442 -8.351 480 1HD1 ILE 59 1HD1 ILE 59 -3.528 14.296 -9.704 481 2HD1 ILE 59 2HD1 ILE 59 -3.787 12.675 -9.017 482 3HD1 ILE 59 3HD1 ILE 59 -5.020 13.400 -10.076 483 H ARG 60 H ARG 60 -6.854 13.471 -4.091 484 HA ARG 60 HA ARG 60 -8.014 10.989 -3.473 485 1HB ARG 60 1HB ARG 60 -9.244 12.345 -1.709 486 2HB ARG 60 2HB ARG 60 -7.504 12.544 -1.672 487 1HG ARG 60 1HG ARG 60 -8.622 14.488 -3.513 488 2HG ARG 60 2HG ARG 60 -9.505 14.575 -2.002 489 1HD ARG 60 1HD ARG 60 -7.121 14.549 -0.871 490 2HD ARG 60 2HD ARG 60 -6.529 14.974 -2.465 491 HE ARG 60 HE ARG 60 -8.730 16.695 -1.791 492 1HH1 ARG 60 1HH1 ARG 60 -5.363 16.116 -0.948 493 2HH1 ARG 60 2HH1 ARG 60 -5.071 17.753 -0.462 494 1HH2 ARG 60 1HH2 ARG 60 -8.345 18.854 -1.149 495 2HH2 ARG 60 2HH2 ARG 60 -6.779 19.320 -0.576 496 H GLU 61 H GLU 61 -10.257 10.351 -3.613 497 HA GLU 61 HA GLU 61 -11.687 11.859 -5.639 498 1HB GLU 61 1HB GLU 61 -11.839 8.982 -4.679 499 2HB GLU 61 2HB GLU 61 -13.123 9.679 -5.648 500 1HG GLU 61 1HG GLU 61 -10.951 10.457 -7.128 501 2HG GLU 61 2HG GLU 61 -10.318 8.981 -6.428 502 H ALA 62 H ALA 62 -13.560 12.962 -5.166 503 HA ALA 62 HA ALA 62 -14.392 12.973 -2.399 504 1HB ALA 62 1HB ALA 62 -15.973 14.584 -4.250 505 2HB ALA 62 2HB ALA 62 -14.964 15.098 -2.876 506 3HB ALA 62 3HB ALA 62 -14.228 14.853 -4.478 507 H LYS 63 H LYS 63 -16.074 11.816 -1.593 508 HA LYS 63 HA LYS 63 -17.546 10.145 -3.397 509 1HB LYS 63 1HB LYS 63 -16.704 9.373 -1.190 510 2HB LYS 63 2HB LYS 63 -17.791 10.493 -0.394 511 1HG LYS 63 1HG LYS 63 -19.183 8.650 -0.396 512 2HG LYS 63 2HG LYS 63 -19.609 9.273 -1.978 513 1HD LYS 63 1HD LYS 63 -17.297 7.328 -1.666 514 2HD LYS 63 2HD LYS 63 -18.945 6.738 -1.742 515 1HE LYS 63 1HE LYS 63 -18.840 8.557 -3.871 516 2HE LYS 63 2HE LYS 63 -17.244 7.834 -3.900 517 1HZ LYS 63 1HZ LYS 63 -19.266 5.901 -3.483 518 2HZ LYS 63 2HZ LYS 63 -19.510 6.727 -4.871 519 3HZ LYS 63 3HZ LYS 63 -18.097 5.946 -4.623 520 H GLU 64 H GLU 64 -19.406 10.665 -4.408 521 HA GLU 64 HA GLU 64 -20.798 13.003 -3.381 522 1HB GLU 64 1HB GLU 64 -21.650 13.343 -5.604 523 2HB GLU 64 2HB GLU 64 -19.940 13.000 -5.769 524 1HG GLU 64 1HG GLU 64 -20.682 10.500 -6.068 525 2HG GLU 64 2HG GLU 64 -22.285 11.153 -6.339 526 H ILE 65 H ILE 65 -22.631 12.639 -2.215 527 HA ILE 65 HA ILE 65 -23.936 10.049 -2.557 528 HB ILE 65 HB ILE 65 -24.058 12.125 -0.370 529 1HG1 ILE 65 1HG1 ILE 65 -23.098 9.289 -0.082 530 2HG1 ILE 65 2HG1 ILE 65 -22.023 10.516 -0.722 531 1HG2 ILE 65 1HG2 ILE 65 -25.254 9.567 0.280 532 2HG2 ILE 65 2HG2 ILE 65 -25.909 11.213 0.453 533 3HG2 ILE 65 3HG2 ILE 65 -26.086 10.342 -1.089 534 1HD1 ILE 65 1HD1 ILE 65 -23.485 11.427 1.680 535 2HD1 ILE 65 2HD1 ILE 65 -22.454 10.007 1.976 536 3HD1 ILE 65 3HD1 ILE 65 -21.744 11.499 1.315 537 H ARG 66 H ARG 66 -25.650 9.936 -3.894 538 HA ARG 66 HA ARG 66 -26.796 12.274 -4.909 539 1HB ARG 66 1HB ARG 66 -26.627 9.900 -5.981 540 2HB ARG 66 2HB ARG 66 -28.044 9.493 -5.033 541 1HG ARG 66 1HG ARG 66 -29.109 10.236 -6.952 542 2HG ARG 66 2HG ARG 66 -28.999 11.765 -6.103 543 1HD ARG 66 1HD ARG 66 -27.182 12.526 -7.427 544 2HD ARG 66 2HD ARG 66 -26.712 10.906 -7.899 545 HE ARG 66 HE ARG 66 -28.735 12.570 -9.182 546 1HH1 ARG 66 1HH1 ARG 66 -27.735 9.247 -8.599 547 2HH1 ARG 66 2HH1 ARG 66 -28.544 8.623 -9.998 548 1HH2 ARG 66 1HH2 ARG 66 -29.802 11.748 -11.028 549 2HH2 ARG 66 2HH2 ARG 66 -29.727 10.056 -11.390 550 H THR 67 H THR 67 -28.434 13.518 -4.043 551 HA THR 67 HA THR 67 -29.927 12.372 -1.794 552 HB THR 67 HB THR 67 -30.352 14.779 -1.267 553 HG1 THR 67 HG1 THR 67 -29.531 16.309 -2.799 554 1HG2 THR 67 1HG2 THR 67 -27.435 14.198 -2.007 555 2HG2 THR 67 2HG2 THR 67 -27.972 15.572 -1.010 556 3HG2 THR 67 3HG2 THR 67 -28.188 13.906 -0.421 557 HA PRO 68 HA PRO 68 -33.534 12.185 -4.115 558 1HB PRO 68 1HB PRO 68 -35.410 12.153 -2.127 559 2HB PRO 68 2HB PRO 68 -34.501 10.735 -2.610 560 1HG PRO 68 1HG PRO 68 -34.171 12.415 -0.201 561 2HG PRO 68 2HG PRO 68 -33.585 10.790 -0.494 562 1HD PRO 68 1HD PRO 68 -32.046 13.210 -0.572 563 2HD PRO 68 2HD PRO 68 -31.488 11.599 -0.978 Start of MODEL 3 1 HA MET 1 HA MET 1 11.494 11.790 -11.180 2 1HB MET 1 1HB MET 1 12.521 12.738 -13.341 3 2HB MET 1 2HB MET 1 11.651 14.228 -13.038 4 1HG MET 1 1HG MET 1 12.844 14.000 -10.621 5 2HG MET 1 2HG MET 1 13.998 13.062 -11.548 6 1HE MET 1 1HE MET 1 12.784 15.969 -10.276 7 2HE MET 1 2HE MET 1 14.239 16.962 -10.530 8 3HE MET 1 3HE MET 1 12.774 17.267 -11.494 9 H ASP 2 H ASP 2 9.412 14.469 -12.484 10 HA ASP 2 HA ASP 2 9.278 15.577 -9.835 11 1HB ASP 2 1HB ASP 2 8.799 16.484 -12.591 12 2HB ASP 2 2HB ASP 2 7.485 16.959 -11.534 13 H ASP 3 H ASP 3 7.361 13.770 -12.252 14 HA ASP 3 HA ASP 3 4.870 14.193 -11.061 15 1HB ASP 3 1HB ASP 3 4.382 11.938 -12.360 16 2HB ASP 3 2HB ASP 3 4.700 13.411 -13.254 17 H ALA 4 H ALA 4 7.178 11.364 -11.096 18 HA ALA 4 HA ALA 4 5.828 10.351 -8.695 19 1HB ALA 4 1HB ALA 4 6.804 8.184 -9.328 20 2HB ALA 4 2HB ALA 4 5.859 8.861 -10.675 21 3HB ALA 4 3HB ALA 4 7.637 8.947 -10.704 22 H THR 5 H THR 5 7.066 9.799 -6.840 23 HA THR 5 HA THR 5 9.654 11.171 -6.761 24 HB THR 5 HB THR 5 7.342 10.915 -5.010 25 HG1 THR 5 HG1 THR 5 9.993 12.157 -4.780 26 1HG2 THR 5 1HG2 THR 5 8.416 10.411 -2.912 27 2HG2 THR 5 2HG2 THR 5 8.882 9.077 -3.993 28 3HG2 THR 5 3HG2 THR 5 10.030 10.395 -3.660 29 HA PRO 6 HA PRO 6 11.746 7.420 -6.604 30 1HB PRO 6 1HB PRO 6 14.184 8.292 -5.729 31 2HB PRO 6 2HB PRO 6 13.673 8.396 -7.402 32 1HG PRO 6 1HG PRO 6 13.867 10.550 -5.387 33 2HG PRO 6 2HG PRO 6 13.777 10.684 -7.132 34 1HD PRO 6 1HD PRO 6 11.655 11.162 -5.262 35 2HD PRO 6 2HD PRO 6 11.536 11.183 -7.011 36 H ALA 7 H ALA 7 11.633 5.696 -5.311 37 HA ALA 7 HA ALA 7 12.311 6.168 -2.523 38 1HB ALA 7 1HB ALA 7 10.219 5.951 -1.708 39 2HB ALA 7 2HB ALA 7 9.648 6.232 -3.370 40 3HB ALA 7 3HB ALA 7 9.870 4.569 -2.775 41 H GLU 8 H GLU 8 12.707 4.116 -1.361 42 HA GLU 8 HA GLU 8 13.444 2.056 -3.284 43 1HB GLU 8 1HB GLU 8 14.569 2.651 -0.512 44 2HB GLU 8 2HB GLU 8 15.084 1.317 -1.526 45 1HG GLU 8 1HG GLU 8 15.845 2.880 -3.278 46 2HG GLU 8 2HG GLU 8 15.213 4.246 -2.381 47 H VAL 9 H VAL 9 12.566 0.005 -3.113 48 HA VAL 9 HA VAL 9 10.264 -0.387 -1.648 49 HB VAL 9 HB VAL 9 12.155 -2.554 -2.560 50 1HG1 VAL 9 1HG1 VAL 9 10.283 -3.941 -2.713 51 2HG1 VAL 9 2HG1 VAL 9 9.971 -3.008 -1.229 52 3HG1 VAL 9 3HG1 VAL 9 9.145 -2.572 -2.745 53 1HG2 VAL 9 1HG2 VAL 9 12.103 -1.554 -4.580 54 2HG2 VAL 9 2HG2 VAL 9 10.443 -2.191 -4.666 55 3HG2 VAL 9 3HG2 VAL 9 10.727 -0.513 -4.143 56 H ILE 10 H ILE 10 9.779 -1.146 0.391 57 HA ILE 10 HA ILE 10 12.112 -1.746 2.075 58 HB ILE 10 HB ILE 10 10.788 -0.866 3.945 59 1HG1 ILE 10 1HG1 ILE 10 8.835 0.726 2.913 60 2HG1 ILE 10 2HG1 ILE 10 8.706 -0.660 1.848 61 1HG2 ILE 10 1HG2 ILE 10 12.361 0.495 2.338 62 2HG2 ILE 10 2HG2 ILE 10 10.847 1.326 1.906 63 3HG2 ILE 10 3HG2 ILE 10 11.406 1.316 3.596 64 1HD1 ILE 10 1HD1 ILE 10 8.323 -2.173 3.679 65 2HD1 ILE 10 2HD1 ILE 10 8.830 -0.958 4.877 66 3HD1 ILE 10 3HD1 ILE 10 7.298 -0.752 3.995 67 H GLU 11 H GLU 11 8.719 -2.548 1.204 68 HA GLU 11 HA GLU 11 9.252 -5.185 2.299 69 1HB GLU 11 1HB GLU 11 7.912 -4.309 4.036 70 2HB GLU 11 2HB GLU 11 6.915 -3.374 2.939 71 1HG GLU 11 1HG GLU 11 5.528 -5.148 2.466 72 2HG GLU 11 2HG GLU 11 6.844 -6.305 2.433 73 H VAL 12 H VAL 12 8.365 -6.906 1.082 74 HA VAL 12 HA VAL 12 6.891 -6.067 -1.318 75 HB VAL 12 HB VAL 12 8.946 -6.586 -2.193 76 1HG1 VAL 12 1HG1 VAL 12 9.255 -8.919 -0.275 77 2HG1 VAL 12 2HG1 VAL 12 10.477 -8.280 -1.400 78 3HG1 VAL 12 3HG1 VAL 12 9.941 -7.297 -0.016 79 1HG2 VAL 12 1HG2 VAL 12 8.797 -9.073 -2.976 80 2HG2 VAL 12 2HG2 VAL 12 7.220 -9.053 -2.152 81 3HG2 VAL 12 3HG2 VAL 12 7.543 -7.917 -3.484 82 H LEU 13 H LEU 13 5.004 -7.156 -1.724 83 HA LEU 13 HA LEU 13 4.410 -9.355 0.125 84 1HB LEU 13 1HB LEU 13 2.183 -8.079 -1.297 85 2HB LEU 13 2HB LEU 13 2.331 -8.571 0.378 86 HG LEU 13 HG LEU 13 2.045 -6.233 0.404 87 1HD1 LEU 13 1HD1 LEU 13 4.398 -7.414 1.392 88 2HD1 LEU 13 2HD1 LEU 13 4.885 -5.840 0.716 89 3HD1 LEU 13 3HD1 LEU 13 3.605 -5.921 1.950 90 1HD2 LEU 13 1HD2 LEU 13 2.532 -4.925 -1.317 91 2HD2 LEU 13 2HD2 LEU 13 4.273 -5.212 -1.082 92 3HD2 LEU 13 3HD2 LEU 13 3.323 -6.302 -2.121 93 H LYS 14 H LYS 14 4.762 -11.295 -0.818 94 HA LYS 14 HA LYS 14 3.685 -11.632 -3.520 95 1HB LYS 14 1HB LYS 14 5.604 -12.679 -4.335 96 2HB LYS 14 2HB LYS 14 6.225 -11.290 -3.466 97 1HG LYS 14 1HG LYS 14 6.085 -13.273 -1.483 98 2HG LYS 14 2HG LYS 14 6.589 -14.165 -2.904 99 1HD LYS 14 1HD LYS 14 8.647 -13.439 -2.016 100 2HD LYS 14 2HD LYS 14 8.331 -12.236 -3.250 101 1HE LYS 14 1HE LYS 14 8.355 -10.593 -1.687 102 2HE LYS 14 2HE LYS 14 7.023 -11.353 -0.838 103 1HZ LYS 14 1HZ LYS 14 9.517 -11.126 0.101 104 2HZ LYS 14 2HZ LYS 14 8.406 -12.182 0.663 105 3HZ LYS 14 3HZ LYS 14 9.516 -12.669 -0.432 106 H ARG 15 H ARG 15 2.878 -13.759 -3.970 107 HA ARG 15 HA ARG 15 2.727 -15.426 -1.594 108 1HB ARG 15 1HB ARG 15 0.540 -14.132 -3.072 109 2HB ARG 15 2HB ARG 15 0.333 -15.872 -3.055 110 1HG ARG 15 1HG ARG 15 -0.186 -15.899 -0.835 111 2HG ARG 15 2HG ARG 15 1.172 -14.872 -0.420 112 1HD ARG 15 1HD ARG 15 -0.195 -12.886 -1.331 113 2HD ARG 15 2HD ARG 15 -1.565 -13.974 -1.430 114 HE ARG 15 HE ARG 15 -1.794 -13.844 0.892 115 1HH1 ARG 15 1HH1 ARG 15 1.455 -12.822 0.011 116 2HH1 ARG 15 2HH1 ARG 15 1.874 -12.329 1.618 117 1HH2 ARG 15 1HH2 ARG 15 -1.243 -13.194 3.012 118 2HH2 ARG 15 2HH2 ARG 15 0.328 -12.542 3.337 119 H THR 16 H THR 16 2.942 -17.671 -1.991 120 HA THR 16 HA THR 16 3.872 -18.364 -4.635 121 HB THR 16 HB THR 16 3.695 -19.747 -1.919 122 HG1 THR 16 HG1 THR 16 5.397 -18.176 -2.325 123 1HG2 THR 16 1HG2 THR 16 3.727 -21.087 -4.429 124 2HG2 THR 16 2HG2 THR 16 5.426 -21.034 -3.901 125 3HG2 THR 16 3HG2 THR 16 4.192 -21.774 -2.854 126 H GLY 17 H GLY 17 1.253 -19.539 -2.413 127 1HA GLY 17 1HA GLY 17 0.059 -21.383 -3.996 128 2HA GLY 17 2HA GLY 17 -0.809 -20.308 -2.918 129 H MET 18 H MET 18 -1.694 -21.381 -5.536 130 HA MET 18 HA MET 18 -2.745 -20.726 -7.321 131 1HB MET 18 1HB MET 18 -2.624 -18.084 -5.794 132 2HB MET 18 2HB MET 18 -3.402 -18.161 -7.362 133 1HG MET 18 1HG MET 18 -4.436 -20.387 -5.937 134 2HG MET 18 2HG MET 18 -4.391 -19.088 -4.761 135 1HE MET 18 1HE MET 18 -5.284 -17.138 -4.766 136 2HE MET 18 2HE MET 18 -5.841 -16.223 -6.188 137 3HE MET 18 3HE MET 18 -7.019 -17.068 -5.156 138 H THR 19 H THR 19 -2.547 -19.552 -9.443 139 HA THR 19 HA THR 19 0.037 -19.533 -10.380 140 HB THR 19 HB THR 19 -2.619 -18.376 -11.287 141 HG1 THR 19 HG1 THR 19 -2.110 -20.666 -11.482 142 1HG2 THR 19 1HG2 THR 19 -1.572 -16.982 -12.771 143 2HG2 THR 19 2HG2 THR 19 0.033 -17.550 -12.252 144 3HG2 THR 19 3HG2 THR 19 -0.863 -18.438 -13.509 145 H GLY 20 H GLY 20 -1.962 -16.593 -9.635 146 1HA GLY 20 1HA GLY 20 -1.239 -14.685 -8.588 147 2HA GLY 20 2HA GLY 20 0.410 -15.278 -8.599 148 H GLU 21 H GLU 21 1.474 -15.458 -10.872 149 HA GLU 21 HA GLU 21 2.090 -14.564 -12.758 150 1HB GLU 21 1HB GLU 21 -0.376 -14.827 -13.385 151 2HB GLU 21 2HB GLU 21 -0.598 -13.143 -12.956 152 1HG GLU 21 1HG GLU 21 1.146 -12.486 -14.627 153 2HG GLU 21 2HG GLU 21 1.372 -14.170 -15.055 154 H VAL 22 H VAL 22 -0.021 -12.029 -11.207 155 HA VAL 22 HA VAL 22 2.287 -10.222 -11.375 156 HB VAL 22 HB VAL 22 -0.692 -9.787 -11.440 157 1HG1 VAL 22 1HG1 VAL 22 -0.461 -7.865 -10.325 158 2HG1 VAL 22 2HG1 VAL 22 1.308 -8.053 -10.255 159 3HG1 VAL 22 3HG1 VAL 22 0.550 -7.276 -11.666 160 1HG2 VAL 22 1HG2 VAL 22 1.074 -8.364 -13.320 161 2HG2 VAL 22 2HG2 VAL 22 1.139 -10.137 -13.457 162 3HG2 VAL 22 3HG2 VAL 22 -0.417 -9.288 -13.618 163 H MET 23 H MET 23 3.197 -9.465 -9.512 164 HA MET 23 HA MET 23 1.744 -10.131 -7.068 165 1HB MET 23 1HB MET 23 3.854 -10.647 -6.039 166 2HB MET 23 2HB MET 23 3.995 -11.334 -7.645 167 1HG MET 23 1HG MET 23 4.877 -8.708 -8.035 168 2HG MET 23 2HG MET 23 5.481 -9.076 -6.431 169 1HE MET 23 1HE MET 23 7.544 -10.416 -5.972 170 2HE MET 23 2HE MET 23 8.695 -10.593 -7.319 171 3HE MET 23 3HE MET 23 7.939 -9.014 -6.996 172 H GLN 24 H GLN 24 2.210 -8.659 -5.172 173 HA GLN 24 HA GLN 24 2.526 -5.951 -6.190 174 1HB GLN 24 1HB GLN 24 1.223 -5.228 -4.239 175 2HB GLN 24 2HB GLN 24 0.349 -6.471 -5.113 176 1HG GLN 24 1HG GLN 24 1.980 -7.868 -3.243 177 2HG GLN 24 2HG GLN 24 1.329 -6.502 -2.360 178 1HE2 GLN 24 1HE2 GLN 24 -0.639 -6.626 -1.574 179 2HE2 GLN 24 2HE2 GLN 24 -1.856 -7.786 -1.992 180 H VAL 25 H VAL 25 3.634 -4.357 -4.697 181 HA VAL 25 HA VAL 25 5.505 -5.632 -2.859 182 HB VAL 25 HB VAL 25 6.384 -5.310 -5.297 183 1HG1 VAL 25 1HG1 VAL 25 7.207 -3.192 -5.901 184 2HG1 VAL 25 2HG1 VAL 25 5.577 -2.864 -5.265 185 3HG1 VAL 25 3HG1 VAL 25 7.007 -2.542 -4.256 186 1HG2 VAL 25 1HG2 VAL 25 8.618 -4.372 -4.099 187 2HG2 VAL 25 2HG2 VAL 25 7.684 -4.855 -2.663 188 3HG2 VAL 25 3HG2 VAL 25 8.043 -6.048 -3.934 189 H LYS 26 H LYS 26 6.502 -4.045 -1.360 190 HA LYS 26 HA LYS 26 4.798 -1.662 -1.124 191 1HB LYS 26 1HB LYS 26 4.613 -3.642 0.590 192 2HB LYS 26 2HB LYS 26 6.099 -2.982 1.243 193 1HG LYS 26 1HG LYS 26 4.821 -0.669 1.157 194 2HG LYS 26 2HG LYS 26 3.378 -1.656 1.038 195 1HD LYS 26 1HD LYS 26 5.453 -2.096 3.226 196 2HD LYS 26 2HD LYS 26 4.135 -0.957 3.416 197 1HE LYS 26 1HE LYS 26 3.024 -3.431 2.423 198 2HE LYS 26 2HE LYS 26 4.083 -3.821 3.764 199 1HZ LYS 26 1HZ LYS 26 1.581 -2.546 3.815 200 2HZ LYS 26 2HZ LYS 26 2.457 -3.138 5.060 201 3HZ LYS 26 3HZ LYS 26 2.697 -1.606 4.548 202 H CYS 27 H CYS 27 5.802 0.305 -1.002 203 HA CYS 27 HA CYS 27 8.668 0.287 -0.483 204 1HB CYS 27 1HB CYS 27 9.275 1.444 -2.408 205 2HB CYS 27 2HB CYS 27 8.125 0.268 -3.013 206 HG CYS 27 HG CYS 27 6.124 1.739 -3.302 207 H ARG 28 H ARG 28 9.392 2.284 0.494 208 HA ARG 28 HA ARG 28 7.156 3.941 1.343 209 1HB ARG 28 1HB ARG 28 8.281 2.799 3.216 210 2HB ARG 28 2HB ARG 28 9.848 3.371 2.679 211 1HG ARG 28 1HG ARG 28 8.544 5.766 2.895 212 2HG ARG 28 2HG ARG 28 7.670 4.852 4.108 213 1HD ARG 28 1HD ARG 28 10.051 4.130 4.968 214 2HD ARG 28 2HD ARG 28 10.645 5.469 4.007 215 HE ARG 28 HE ARG 28 8.408 6.228 5.731 216 1HH1 ARG 28 1HH1 ARG 28 11.896 5.781 5.594 217 2HH1 ARG 28 2HH1 ARG 28 12.215 6.862 6.910 218 1HH2 ARG 28 1HH2 ARG 28 8.828 7.654 7.466 219 2HH2 ARG 28 2HH2 ARG 28 10.458 7.934 7.982 220 H ILE 29 H ILE 29 7.295 6.215 1.079 221 HA ILE 29 HA ILE 29 8.912 7.169 -0.962 222 HB ILE 29 HB ILE 29 7.158 8.389 1.123 223 1HG1 ILE 29 1HG1 ILE 29 7.083 7.828 -1.794 224 2HG1 ILE 29 2HG1 ILE 29 5.819 7.704 -0.587 225 1HG2 ILE 29 1HG2 ILE 29 9.159 9.878 0.882 226 2HG2 ILE 29 2HG2 ILE 29 8.751 10.051 -0.842 227 3HG2 ILE 29 3HG2 ILE 29 7.614 10.620 0.404 228 1HD1 ILE 29 1HD1 ILE 29 5.435 9.573 -2.221 229 2HD1 ILE 29 2HD1 ILE 29 5.541 10.142 -0.537 230 3HD1 ILE 29 3HD1 ILE 29 6.926 10.349 -1.635 231 H LEU 30 H LEU 30 10.844 8.344 -1.033 232 HA LEU 30 HA LEU 30 12.348 8.276 1.488 233 1HB LEU 30 1HB LEU 30 13.197 7.929 -1.380 234 2HB LEU 30 2HB LEU 30 14.341 8.329 -0.114 235 HG LEU 30 HG LEU 30 12.696 5.815 -0.416 236 1HD1 LEU 30 1HD1 LEU 30 14.808 4.688 -0.492 237 2HD1 LEU 30 2HD1 LEU 30 14.855 6.037 -1.652 238 3HD1 LEU 30 3HD1 LEU 30 15.683 6.184 -0.083 239 1HD2 LEU 30 1HD2 LEU 30 12.464 6.294 1.890 240 2HD2 LEU 30 2HD2 LEU 30 13.771 5.093 1.758 241 3HD2 LEU 30 3HD2 LEU 30 14.162 6.808 2.034 242 H ASP 31 H ASP 31 10.777 10.260 -0.828 243 HA ASP 31 HA ASP 31 11.741 12.561 0.505 244 1HB ASP 31 1HB ASP 31 12.269 12.376 -2.493 245 2HB ASP 31 2HB ASP 31 12.701 13.702 -1.433 246 H GLY 32 H GLY 32 10.389 14.469 -0.106 247 1HA GLY 32 1HA GLY 32 8.747 15.204 -1.867 248 2HA GLY 32 2HA GLY 32 7.950 13.671 -1.575 249 H ARG 33 H ARG 33 6.320 15.739 -1.182 250 HA ARG 33 HA ARG 33 6.531 16.972 1.298 251 1HB ARG 33 1HB ARG 33 4.933 17.293 -0.913 252 2HB ARG 33 2HB ARG 33 3.793 16.510 0.164 253 1HG ARG 33 1HG ARG 33 5.383 18.674 1.447 254 2HG ARG 33 2HG ARG 33 4.346 19.225 0.146 255 1HD ARG 33 1HD ARG 33 2.771 17.390 1.665 256 2HD ARG 33 2HD ARG 33 3.608 18.384 2.840 257 HE ARG 33 HE ARG 33 2.431 20.288 2.073 258 1HH1 ARG 33 1HH1 ARG 33 1.860 17.548 -0.060 259 2HH1 ARG 33 2HH1 ARG 33 0.559 18.316 -0.908 260 1HH2 ARG 33 1HH2 ARG 33 0.715 21.301 0.956 261 2HH2 ARG 33 2HH2 ARG 33 -0.096 20.465 -0.326 262 H ASP 34 H ASP 34 5.386 13.809 0.243 263 HA ASP 34 HA ASP 34 4.067 13.408 2.793 264 1HB ASP 34 1HB ASP 34 4.186 11.694 0.267 265 2HB ASP 34 2HB ASP 34 3.324 11.231 1.721 266 H LYS 35 H LYS 35 7.114 13.538 2.090 267 HA LYS 35 HA LYS 35 8.534 11.378 1.929 268 1HB LYS 35 1HB LYS 35 9.093 13.794 2.847 269 2HB LYS 35 2HB LYS 35 9.048 12.992 4.404 270 1HG LYS 35 1HG LYS 35 10.763 11.395 3.723 271 2HG LYS 35 2HG LYS 35 10.685 11.934 2.057 272 1HD LYS 35 1HD LYS 35 11.629 13.604 4.436 273 2HD LYS 35 2HD LYS 35 12.656 12.906 3.200 274 1HE LYS 35 1HE LYS 35 12.363 14.760 1.930 275 2HE LYS 35 2HE LYS 35 10.656 14.389 1.801 276 1HZ LYS 35 1HZ LYS 35 11.990 16.125 3.723 277 2HZ LYS 35 2HZ LYS 35 10.680 16.432 2.797 278 3HZ LYS 35 3HZ LYS 35 10.547 15.462 4.104 279 H GLY 36 H GLY 36 8.503 9.310 2.618 280 1HA GLY 36 1HA GLY 36 8.541 7.715 4.335 281 2HA GLY 36 2HA GLY 36 7.581 8.769 5.353 282 H ARG 37 H ARG 37 6.067 9.214 2.489 283 HA ARG 37 HA ARG 37 3.874 7.720 3.196 284 1HB ARG 37 1HB ARG 37 4.482 9.673 1.287 285 2HB ARG 37 2HB ARG 37 4.114 8.280 0.289 286 1HG ARG 37 1HG ARG 37 1.997 8.008 1.822 287 2HG ARG 37 2HG ARG 37 2.325 9.654 2.325 288 1HD ARG 37 1HD ARG 37 2.322 10.333 -0.135 289 2HD ARG 37 2HD ARG 37 1.813 8.704 -0.534 290 HE ARG 37 HE ARG 37 0.140 10.802 0.546 291 1HH1 ARG 37 1HH1 ARG 37 0.617 7.316 0.614 292 2HH1 ARG 37 2HH1 ARG 37 -1.036 6.969 1.001 293 1HH2 ARG 37 1HH2 ARG 37 -2.040 10.345 1.057 294 2HH2 ARG 37 2HH2 ARG 37 -2.557 8.704 1.254 295 H ILE 38 H ILE 38 3.205 5.613 2.729 296 HA ILE 38 HA ILE 38 5.001 4.076 0.984 297 HB ILE 38 HB ILE 38 3.420 3.182 3.397 298 1HG1 ILE 38 1HG1 ILE 38 6.215 2.680 3.625 299 2HG1 ILE 38 2HG1 ILE 38 6.026 4.353 3.138 300 1HG2 ILE 38 1HG2 ILE 38 5.434 1.407 2.129 301 2HG2 ILE 38 2HG2 ILE 38 3.898 1.018 2.941 302 3HG2 ILE 38 3HG2 ILE 38 3.892 1.618 1.265 303 1HD1 ILE 38 1HD1 ILE 38 4.936 4.955 5.089 304 2HD1 ILE 38 2HD1 ILE 38 4.162 3.363 5.271 305 3HD1 ILE 38 3HD1 ILE 38 5.871 3.578 5.720 306 H LEU 39 H LEU 39 4.135 3.119 -0.799 307 HA LEU 39 HA LEU 39 1.210 2.950 -0.899 308 1HB LEU 39 1HB LEU 39 3.087 4.165 -2.911 309 2HB LEU 39 2HB LEU 39 1.524 3.530 -3.384 310 HG LEU 39 HG LEU 39 1.276 5.872 -3.098 311 1HD1 LEU 39 1HD1 LEU 39 -0.680 5.737 -2.040 312 2HD1 LEU 39 2HD1 LEU 39 -0.258 4.041 -1.703 313 3HD1 LEU 39 3HD1 LEU 39 0.087 5.301 -0.494 314 1HD2 LEU 39 1HD2 LEU 39 1.934 6.131 -0.263 315 2HD2 LEU 39 2HD2 LEU 39 3.335 5.684 -1.266 316 3HD2 LEU 39 3HD2 LEU 39 2.395 7.146 -1.650 317 H THR 40 H THR 40 0.374 1.149 -2.039 318 HA THR 40 HA THR 40 2.427 -0.828 -2.791 319 HB THR 40 HB THR 40 -0.251 -1.762 -1.843 320 HG1 THR 40 HG1 THR 40 0.361 -1.172 0.354 321 1HG2 THR 40 1HG2 THR 40 1.012 -3.490 -0.840 322 2HG2 THR 40 2HG2 THR 40 2.025 -3.099 -2.251 323 3HG2 THR 40 3HG2 THR 40 2.448 -2.456 -0.645 324 H ARG 41 H ARG 41 2.280 -1.786 -4.753 325 HA ARG 41 HA ARG 41 -0.221 -1.467 -6.157 326 1HB ARG 41 1HB ARG 41 2.309 -0.078 -6.813 327 2HB ARG 41 2HB ARG 41 1.690 -1.002 -8.167 328 1HG ARG 41 1HG ARG 41 0.542 1.003 -8.482 329 2HG ARG 41 2HG ARG 41 -0.629 0.128 -7.515 330 1HD ARG 41 1HD ARG 41 -0.464 1.629 -5.812 331 2HD ARG 41 2HD ARG 41 1.282 1.485 -5.770 332 HE ARG 41 HE ARG 41 1.460 3.419 -7.087 333 1HH1 ARG 41 1HH1 ARG 41 -1.843 2.214 -7.223 334 2HH1 ARG 41 2HH1 ARG 41 -2.451 3.603 -8.061 335 1HH2 ARG 41 1HH2 ARG 41 0.659 5.251 -8.192 336 2HH2 ARG 41 2HH2 ARG 41 -1.018 5.342 -8.616 337 H ASN 42 H ASN 42 -0.436 -3.009 -7.989 338 HA ASN 42 HA ASN 42 1.065 -5.381 -7.436 339 1HB ASN 42 1HB ASN 42 -0.562 -6.496 -8.866 340 2HB ASN 42 2HB ASN 42 -1.449 -5.351 -7.881 341 1HD2 ASN 42 1HD2 ASN 42 -2.301 -3.493 -8.768 342 2HD2 ASN 42 2HD2 ASN 42 -2.480 -3.242 -10.472 343 H VAL 43 H VAL 43 2.912 -5.915 -8.615 344 HA VAL 43 HA VAL 43 3.062 -5.007 -11.386 345 HB VAL 43 HB VAL 43 4.241 -3.301 -10.261 346 1HG1 VAL 43 1HG1 VAL 43 4.720 -5.271 -8.286 347 2HG1 VAL 43 2HG1 VAL 43 6.316 -4.727 -8.858 348 3HG1 VAL 43 3HG1 VAL 43 5.142 -3.542 -8.235 349 1HG2 VAL 43 1HG2 VAL 43 5.460 -3.894 -12.177 350 2HG2 VAL 43 2HG2 VAL 43 6.685 -3.842 -10.886 351 3HG2 VAL 43 3HG2 VAL 43 6.050 -5.407 -11.449 352 H MET 44 H MET 44 3.836 -6.576 -12.746 353 HA MET 44 HA MET 44 4.444 -9.088 -11.487 354 1HB MET 44 1HB MET 44 2.917 -9.247 -13.340 355 2HB MET 44 2HB MET 44 3.843 -8.123 -14.315 356 1HG MET 44 1HG MET 44 5.644 -9.776 -14.613 357 2HG MET 44 2HG MET 44 4.871 -10.881 -13.494 358 1HE MET 44 1HE MET 44 5.697 -10.791 -16.892 359 2HE MET 44 2HE MET 44 5.544 -12.272 -15.917 360 3HE MET 44 3HE MET 44 4.568 -12.073 -17.392 361 H GLY 45 H GLY 45 6.479 -9.931 -11.252 362 1HA GLY 45 1HA GLY 45 8.572 -10.170 -12.743 363 2HA GLY 45 2HA GLY 45 8.692 -8.440 -12.493 364 HA PRO 46 HA PRO 46 10.460 -10.803 -8.892 365 1HB PRO 46 1HB PRO 46 13.112 -10.952 -9.534 366 2HB PRO 46 2HB PRO 46 11.991 -12.277 -9.778 367 1HG PRO 46 1HG PRO 46 13.160 -10.446 -11.783 368 2HG PRO 46 2HG PRO 46 12.398 -12.004 -12.032 369 1HD PRO 46 1HD PRO 46 11.243 -9.427 -12.540 370 2HD PRO 46 2HD PRO 46 10.443 -10.980 -12.678 371 H ILE 47 H ILE 47 9.743 -8.884 -7.865 372 HA ILE 47 HA ILE 47 12.008 -7.042 -7.564 373 HB ILE 47 HB ILE 47 10.027 -6.261 -9.018 374 1HG1 ILE 47 1HG1 ILE 47 10.373 -4.184 -6.991 375 2HG1 ILE 47 2HG1 ILE 47 11.888 -4.959 -7.409 376 1HG2 ILE 47 1HG2 ILE 47 8.735 -5.440 -6.455 377 2HG2 ILE 47 2HG2 ILE 47 8.033 -5.675 -8.074 378 3HG2 ILE 47 3HG2 ILE 47 8.437 -7.085 -7.066 379 1HD1 ILE 47 1HD1 ILE 47 11.189 -2.949 -8.861 380 2HD1 ILE 47 2HD1 ILE 47 11.657 -4.426 -9.736 381 3HD1 ILE 47 3HD1 ILE 47 9.936 -4.013 -9.544 382 H ARG 48 H ARG 48 12.723 -6.938 -5.506 383 HA ARG 48 HA ARG 48 10.754 -7.535 -3.450 384 1HB ARG 48 1HB ARG 48 12.626 -8.663 -2.156 385 2HB ARG 48 2HB ARG 48 12.172 -9.510 -3.622 386 1HG ARG 48 1HG ARG 48 14.425 -7.469 -3.645 387 2HG ARG 48 2HG ARG 48 14.720 -9.119 -3.135 388 1HD ARG 48 1HD ARG 48 13.184 -9.198 -5.589 389 2HD ARG 48 2HD ARG 48 14.530 -8.100 -5.823 390 HE ARG 48 HE ARG 48 14.692 -10.999 -5.355 391 1HH1 ARG 48 1HH1 ARG 48 16.436 -7.943 -5.325 392 2HH1 ARG 48 2HH1 ARG 48 17.995 -8.684 -5.474 393 1HH2 ARG 48 1HH2 ARG 48 16.748 -11.978 -5.551 394 2HH2 ARG 48 2HH2 ARG 48 18.173 -10.995 -5.604 395 H GLU 49 H GLU 49 11.371 -6.595 -1.260 396 HA GLU 49 HA GLU 49 11.776 -3.987 -1.300 397 1HB GLU 49 1HB GLU 49 12.932 -4.457 1.084 398 2HB GLU 49 2HB GLU 49 11.218 -4.705 0.815 399 1HG GLU 49 1HG GLU 49 11.398 -6.952 1.122 400 2HG GLU 49 2HG GLU 49 12.739 -7.073 0.000 401 H GLY 50 H GLY 50 13.502 -2.471 -1.191 402 1HA GLY 50 1HA GLY 50 15.831 -2.025 -0.881 403 2HA GLY 50 2HA GLY 50 16.208 -3.594 -1.565 404 H ASP 51 H ASP 51 13.875 -3.080 -3.607 405 HA ASP 51 HA ASP 51 15.584 -2.071 -5.598 406 1HB ASP 51 1HB ASP 51 12.935 -3.309 -5.394 407 2HB ASP 51 2HB ASP 51 12.909 -1.995 -6.553 408 H ILE 52 H ILE 52 14.360 -0.313 -7.209 409 HA ILE 52 HA ILE 52 13.436 1.867 -5.469 410 HB ILE 52 HB ILE 52 15.291 1.990 -7.848 411 1HG1 ILE 52 1HG1 ILE 52 16.239 3.260 -5.437 412 2HG1 ILE 52 2HG1 ILE 52 15.790 1.603 -5.086 413 1HG2 ILE 52 1HG2 ILE 52 13.736 3.858 -7.928 414 2HG2 ILE 52 2HG2 ILE 52 14.083 4.249 -6.227 415 3HG2 ILE 52 3HG2 ILE 52 15.359 4.416 -7.456 416 1HD1 ILE 52 1HD1 ILE 52 17.924 1.194 -5.858 417 2HD1 ILE 52 2HD1 ILE 52 17.094 1.186 -7.433 418 3HD1 ILE 52 3HD1 ILE 52 17.944 2.650 -6.881 419 H LEU 53 H LEU 53 11.486 2.734 -5.987 420 HA LEU 53 HA LEU 53 10.520 2.315 -8.712 421 1HB LEU 53 1HB LEU 53 8.417 1.992 -6.737 422 2HB LEU 53 2HB LEU 53 8.790 1.043 -8.162 423 HG LEU 53 HG LEU 53 10.327 0.751 -5.574 424 1HD1 LEU 53 1HD1 LEU 53 7.701 0.310 -5.589 425 2HD1 LEU 53 2HD1 LEU 53 8.226 -1.233 -6.304 426 3HD1 LEU 53 3HD1 LEU 53 8.840 -0.738 -4.709 427 1HD2 LEU 53 1HD2 LEU 53 10.489 -0.441 -8.223 428 2HD2 LEU 53 2HD2 LEU 53 11.632 -0.511 -6.860 429 3HD2 LEU 53 3HD2 LEU 53 10.281 -1.667 -6.949 430 H MET 54 H MET 54 8.715 3.809 -9.269 431 HA MET 54 HA MET 54 9.163 6.305 -7.867 432 1HB MET 54 1HB MET 54 7.513 6.003 -10.403 433 2HB MET 54 2HB MET 54 8.511 7.357 -9.912 434 1HG MET 54 1HG MET 54 9.449 4.652 -10.963 435 2HG MET 54 2HG MET 54 9.687 6.223 -11.703 436 1HE MET 54 1HE MET 54 10.705 8.156 -10.458 437 2HE MET 54 2HE MET 54 10.542 7.899 -8.705 438 3HE MET 54 3HE MET 54 12.158 8.018 -9.440 439 H LEU 55 H LEU 55 7.553 7.404 -6.750 440 HA LEU 55 HA LEU 55 5.024 5.960 -6.504 441 1HB LEU 55 1HB LEU 55 6.315 8.055 -4.751 442 2HB LEU 55 2HB LEU 55 4.749 7.325 -4.457 443 HG LEU 55 HG LEU 55 6.761 6.430 -3.153 444 1HD1 LEU 55 1HD1 LEU 55 5.508 4.637 -2.711 445 2HD1 LEU 55 2HD1 LEU 55 4.393 5.267 -3.948 446 3HD1 LEU 55 3HD1 LEU 55 5.606 4.039 -4.385 447 1HD2 LEU 55 1HD2 LEU 55 8.245 4.898 -4.159 448 2HD2 LEU 55 2HD2 LEU 55 7.302 4.846 -5.668 449 3HD2 LEU 55 3HD2 LEU 55 8.211 6.314 -5.237 450 H LEU 56 H LEU 56 3.446 6.624 -7.857 451 HA LEU 56 HA LEU 56 3.432 9.461 -8.587 452 1HB LEU 56 1HB LEU 56 3.637 7.924 -10.441 453 2HB LEU 56 2HB LEU 56 2.222 7.034 -9.916 454 HG LEU 56 HG LEU 56 1.136 9.506 -10.187 455 1HD1 LEU 56 1HD1 LEU 56 2.932 9.429 -12.584 456 2HD1 LEU 56 2HD1 LEU 56 2.039 10.791 -11.865 457 3HD1 LEU 56 3HD1 LEU 56 3.512 10.177 -11.076 458 1HD2 LEU 56 1HD2 LEU 56 -0.158 8.410 -11.626 459 2HD2 LEU 56 2HD2 LEU 56 1.185 8.171 -12.769 460 3HD2 LEU 56 3HD2 LEU 56 0.940 7.023 -11.430 461 H ASP 57 H ASP 57 1.635 10.760 -8.195 462 HA ASP 57 HA ASP 57 0.155 10.181 -5.982 463 1HB ASP 57 1HB ASP 57 -0.519 12.021 -8.325 464 2HB ASP 57 2HB ASP 57 -1.345 12.065 -6.781 465 H THR 58 H THR 58 -1.622 8.822 -5.681 466 HA THR 58 HA THR 58 -2.726 7.434 -7.918 467 HB THR 58 HB THR 58 -2.302 6.531 -5.555 468 HG1 THR 58 HG1 THR 58 -3.740 5.346 -6.865 469 1HG2 THR 58 1HG2 THR 58 -3.488 7.308 -3.750 470 2HG2 THR 58 2HG2 THR 58 -3.836 8.742 -4.745 471 3HG2 THR 58 3HG2 THR 58 -4.996 7.393 -4.693 472 H ILE 59 H ILE 59 -4.563 7.751 -9.058 473 HA ILE 59 HA ILE 59 -5.926 10.258 -8.539 474 HB ILE 59 HB ILE 59 -5.086 9.647 -10.788 475 1HG1 ILE 59 1HG1 ILE 59 -7.893 9.821 -11.447 476 2HG1 ILE 59 2HG1 ILE 59 -7.551 10.816 -10.045 477 1HG2 ILE 59 1HG2 ILE 59 -5.436 7.288 -10.855 478 2HG2 ILE 59 2HG2 ILE 59 -7.186 7.477 -10.588 479 3HG2 ILE 59 3HG2 ILE 59 -6.455 8.021 -12.117 480 1HD1 ILE 59 1HD1 ILE 59 -7.212 11.822 -12.457 481 2HD1 ILE 59 2HD1 ILE 59 -6.001 12.163 -11.198 482 3HD1 ILE 59 3HD1 ILE 59 -5.682 10.914 -12.426 483 H ARG 60 H ARG 60 -8.041 10.463 -7.852 484 HA ARG 60 HA ARG 60 -9.172 8.000 -6.862 485 1HB ARG 60 1HB ARG 60 -9.999 10.905 -6.362 486 2HB ARG 60 2HB ARG 60 -10.673 9.512 -5.540 487 1HG ARG 60 1HG ARG 60 -7.817 9.314 -5.305 488 2HG ARG 60 2HG ARG 60 -8.243 10.971 -4.929 489 1HD ARG 60 1HD ARG 60 -10.100 9.035 -3.690 490 2HD ARG 60 2HD ARG 60 -8.442 8.780 -3.183 491 HE ARG 60 HE ARG 60 -9.026 11.591 -3.087 492 1HH1 ARG 60 1HH1 ARG 60 -9.778 8.594 -1.403 493 2HH1 ARG 60 2HH1 ARG 60 -10.072 9.372 0.116 494 1HH2 ARG 60 1HH2 ARG 60 -9.413 12.618 -1.083 495 2HH2 ARG 60 2HH2 ARG 60 -9.863 11.676 0.300 496 H GLU 61 H GLU 61 -11.530 7.556 -7.182 497 HA GLU 61 HA GLU 61 -12.264 8.234 -9.860 498 1HB GLU 61 1HB GLU 61 -14.067 6.588 -9.540 499 2HB GLU 61 2HB GLU 61 -12.534 5.923 -9.014 500 1HG GLU 61 1HG GLU 61 -14.052 7.360 -6.887 501 2HG GLU 61 2HG GLU 61 -14.844 5.922 -7.499 502 H ALA 62 H ALA 62 -14.340 9.204 -10.469 503 HA ALA 62 HA ALA 62 -15.146 11.204 -8.516 504 1HB ALA 62 1HB ALA 62 -16.488 11.374 -11.073 505 2HB ALA 62 2HB ALA 62 -15.321 12.501 -10.341 506 3HB ALA 62 3HB ALA 62 -14.742 11.136 -11.326 507 H LYS 63 H LYS 63 -17.113 11.213 -7.486 508 HA LYS 63 HA LYS 63 -18.799 8.890 -8.000 509 1HB LYS 63 1HB LYS 63 -17.937 9.325 -5.702 510 2HB LYS 63 2HB LYS 63 -18.823 10.836 -5.675 511 1HG LYS 63 1HG LYS 63 -20.338 9.367 -4.636 512 2HG LYS 63 2HG LYS 63 -20.918 9.373 -6.289 513 1HD LYS 63 1HD LYS 63 -19.100 7.340 -6.464 514 2HD LYS 63 2HD LYS 63 -19.523 7.197 -4.770 515 1HE LYS 63 1HE LYS 63 -22.029 7.459 -5.808 516 2HE LYS 63 2HE LYS 63 -21.231 6.754 -7.200 517 1HZ LYS 63 1HZ LYS 63 -21.178 4.815 -6.184 518 2HZ LYS 63 2HZ LYS 63 -20.484 5.423 -4.835 519 3HZ LYS 63 3HZ LYS 63 -22.110 5.431 -4.992 520 H GLU 64 H GLU 64 -20.691 9.053 -9.085 521 HA GLU 64 HA GLU 64 -21.576 11.759 -9.660 522 1HB GLU 64 1HB GLU 64 -21.189 9.519 -11.306 523 2HB GLU 64 2HB GLU 64 -22.930 9.592 -11.120 524 1HG GLU 64 1HG GLU 64 -22.810 11.116 -12.828 525 2HG GLU 64 2HG GLU 64 -22.407 12.245 -11.550 526 H ILE 65 H ILE 65 -23.686 12.466 -9.171 527 HA ILE 65 HA ILE 65 -25.017 10.883 -7.157 528 HB ILE 65 HB ILE 65 -26.513 12.948 -7.111 529 1HG1 ILE 65 1HG1 ILE 65 -24.370 14.551 -8.350 530 2HG1 ILE 65 2HG1 ILE 65 -25.277 13.568 -9.483 531 1HG2 ILE 65 1HG2 ILE 65 -24.572 14.306 -6.023 532 2HG2 ILE 65 2HG2 ILE 65 -25.068 12.748 -5.320 533 3HG2 ILE 65 3HG2 ILE 65 -23.613 12.841 -6.340 534 1HD1 ILE 65 1HD1 ILE 65 -27.043 14.865 -7.519 535 2HD1 ILE 65 2HD1 ILE 65 -26.078 16.041 -8.444 536 3HD1 ILE 65 3HD1 ILE 65 -27.123 14.880 -9.297 537 H ARG 66 H ARG 66 -26.738 9.574 -7.494 538 HA ARG 66 HA ARG 66 -27.735 9.480 -10.184 539 1HB ARG 66 1HB ARG 66 -27.165 7.518 -8.331 540 2HB ARG 66 2HB ARG 66 -28.895 7.671 -8.100 541 1HG ARG 66 1HG ARG 66 -27.735 7.425 -10.897 542 2HG ARG 66 2HG ARG 66 -27.995 5.995 -9.918 543 1HD ARG 66 1HD ARG 66 -30.286 6.107 -10.121 544 2HD ARG 66 2HD ARG 66 -30.320 7.852 -9.964 545 HE ARG 66 HE ARG 66 -29.149 7.437 -12.454 546 1HH1 ARG 66 1HH1 ARG 66 -32.163 6.434 -10.939 547 2HH1 ARG 66 2HH1 ARG 66 -33.039 6.365 -12.432 548 1HH2 ARG 66 1HH2 ARG 66 -30.304 7.346 -14.424 549 2HH2 ARG 66 2HH2 ARG 66 -31.975 6.887 -14.427 550 H THR 67 H THR 67 -29.587 10.568 -10.772 551 HA THR 67 HA THR 67 -31.282 11.627 -8.660 552 HB THR 67 HB THR 67 -32.173 13.006 -10.509 553 HG1 THR 67 HG1 THR 67 -32.078 11.973 -12.461 554 1HG2 THR 67 1HG2 THR 67 -29.576 13.278 -11.643 555 2HG2 THR 67 2HG2 THR 67 -30.273 14.267 -10.337 556 3HG2 THR 67 3HG2 THR 67 -29.304 12.826 -9.942 557 HA PRO 68 HA PRO 68 -34.366 8.680 -9.144 558 1HB PRO 68 1HB PRO 68 -36.508 10.016 -8.096 559 2HB PRO 68 2HB PRO 68 -35.294 9.227 -7.109 560 1HG PRO 68 1HG PRO 68 -35.671 12.112 -7.630 561 2HG PRO 68 2HG PRO 68 -34.765 11.338 -6.345 562 1HD PRO 68 1HD PRO 68 -33.690 12.573 -8.700 563 2HD PRO 68 2HD PRO 68 -32.794 11.698 -7.474 Start of MODEL 4 1 HA MET 1 HA MET 1 10.701 14.744 -12.459 2 1HB MET 1 1HB MET 1 10.763 12.115 -13.010 3 2HB MET 1 2HB MET 1 9.543 12.020 -11.757 4 1HG MET 1 1HG MET 1 8.229 12.319 -13.690 5 2HG MET 1 2HG MET 1 8.346 13.958 -13.080 6 1HE MET 1 1HE MET 1 8.694 15.619 -14.145 7 2HE MET 1 2HE MET 1 10.341 15.924 -14.747 8 3HE MET 1 3HE MET 1 8.993 15.746 -15.895 9 H ASP 2 H ASP 2 8.882 15.798 -11.595 10 HA ASP 2 HA ASP 2 8.711 15.668 -8.759 11 1HB ASP 2 1HB ASP 2 6.947 17.222 -10.704 12 2HB ASP 2 2HB ASP 2 7.158 17.555 -8.996 13 H ASP 3 H ASP 3 6.845 14.679 -11.655 14 HA ASP 3 HA ASP 3 4.382 14.304 -10.723 15 1HB ASP 3 1HB ASP 3 6.040 12.387 -12.427 16 2HB ASP 3 2HB ASP 3 4.303 12.251 -12.244 17 H ALA 4 H ALA 4 7.021 11.775 -10.653 18 HA ALA 4 HA ALA 4 5.680 10.615 -8.306 19 1HB ALA 4 1HB ALA 4 5.707 9.288 -10.505 20 2HB ALA 4 2HB ALA 4 7.465 9.141 -10.269 21 3HB ALA 4 3HB ALA 4 6.346 8.459 -9.066 22 H THR 5 H THR 5 7.005 9.976 -6.539 23 HA THR 5 HA THR 5 9.623 11.296 -6.559 24 HB THR 5 HB THR 5 7.398 11.012 -4.682 25 HG1 THR 5 HG1 THR 5 10.038 12.299 -4.746 26 1HG2 THR 5 1HG2 THR 5 9.056 9.184 -3.805 27 2HG2 THR 5 2HG2 THR 5 10.165 10.540 -3.491 28 3HG2 THR 5 3HG2 THR 5 8.587 10.472 -2.670 29 HA PRO 6 HA PRO 6 11.636 7.500 -6.584 30 1HB PRO 6 1HB PRO 6 14.123 8.287 -5.768 31 2HB PRO 6 2HB PRO 6 13.556 8.459 -7.418 32 1HG PRO 6 1HG PRO 6 13.871 10.538 -5.340 33 2HG PRO 6 2HG PRO 6 13.724 10.734 -7.075 34 1HD PRO 6 1HD PRO 6 11.680 11.195 -5.116 35 2HD PRO 6 2HD PRO 6 11.501 11.278 -6.857 36 H ALA 7 H ALA 7 11.481 5.746 -5.341 37 HA ALA 7 HA ALA 7 12.269 6.113 -2.561 38 1HB ALA 7 1HB ALA 7 9.773 4.569 -2.891 39 2HB ALA 7 2HB ALA 7 10.208 5.794 -1.675 40 3HB ALA 7 3HB ALA 7 9.609 6.300 -3.273 41 H GLU 8 H GLU 8 12.660 4.014 -1.474 42 HA GLU 8 HA GLU 8 13.318 2.008 -3.482 43 1HB GLU 8 1HB GLU 8 14.570 2.602 -0.768 44 2HB GLU 8 2HB GLU 8 14.979 1.193 -1.727 45 1HG GLU 8 1HG GLU 8 15.545 2.794 -3.653 46 2HG GLU 8 2HG GLU 8 15.351 4.117 -2.520 47 H VAL 9 H VAL 9 12.454 -0.054 -3.316 48 HA VAL 9 HA VAL 9 10.184 -0.476 -1.828 49 HB VAL 9 HB VAL 9 12.108 -2.608 -2.761 50 1HG1 VAL 9 1HG1 VAL 9 9.839 -2.974 -1.386 51 2HG1 VAL 9 2HG1 VAL 9 9.145 -2.840 -3.019 52 3HG1 VAL 9 3HG1 VAL 9 10.369 -4.085 -2.671 53 1HG2 VAL 9 1HG2 VAL 9 11.973 -1.555 -4.762 54 2HG2 VAL 9 2HG2 VAL 9 10.379 -2.343 -4.835 55 3HG2 VAL 9 3HG2 VAL 9 10.511 -0.647 -4.310 56 H ILE 10 H ILE 10 9.790 -0.842 0.293 57 HA ILE 10 HA ILE 10 12.107 -1.546 1.942 58 HB ILE 10 HB ILE 10 10.831 -0.605 3.796 59 1HG1 ILE 10 1HG1 ILE 10 8.790 0.877 2.886 60 2HG1 ILE 10 2HG1 ILE 10 8.680 -0.440 1.736 61 1HG2 ILE 10 1HG2 ILE 10 12.328 0.741 2.158 62 2HG2 ILE 10 2HG2 ILE 10 10.795 1.467 1.618 63 3HG2 ILE 10 3HG2 ILE 10 11.299 1.613 3.319 64 1HD1 ILE 10 1HD1 ILE 10 7.314 -1.161 3.531 65 2HD1 ILE 10 2HD1 ILE 10 8.850 -2.014 3.819 66 3HD1 ILE 10 3HD1 ILE 10 8.452 -0.556 4.758 67 H GLU 11 H GLU 11 8.703 -2.380 1.138 68 HA GLU 11 HA GLU 11 9.257 -4.982 2.308 69 1HB GLU 11 1HB GLU 11 7.894 -4.131 4.012 70 2HB GLU 11 2HB GLU 11 6.957 -3.133 2.918 71 1HG GLU 11 1HG GLU 11 5.673 -5.119 3.770 72 2HG GLU 11 2HG GLU 11 5.785 -5.080 2.021 73 H VAL 12 H VAL 12 8.432 -6.745 1.125 74 HA VAL 12 HA VAL 12 6.988 -5.996 -1.323 75 HB VAL 12 HB VAL 12 9.028 -6.618 -2.144 76 1HG1 VAL 12 1HG1 VAL 12 9.292 -8.807 -0.056 77 2HG1 VAL 12 2HG1 VAL 12 10.534 -8.259 -1.208 78 3HG1 VAL 12 3HG1 VAL 12 9.987 -7.175 0.094 79 1HG2 VAL 12 1HG2 VAL 12 7.414 -8.037 -3.218 80 2HG2 VAL 12 2HG2 VAL 12 8.887 -8.996 -2.940 81 3HG2 VAL 12 3HG2 VAL 12 7.473 -9.210 -1.880 82 H LEU 13 H LEU 13 5.014 -6.923 -1.579 83 HA LEU 13 HA LEU 13 4.355 -9.077 0.295 84 1HB LEU 13 1HB LEU 13 2.335 -7.485 -1.238 85 2HB LEU 13 2HB LEU 13 2.157 -8.347 0.277 86 HG LEU 13 HG LEU 13 4.113 -6.196 0.498 87 1HD1 LEU 13 1HD1 LEU 13 2.888 -5.037 -1.183 88 2HD1 LEU 13 2HD1 LEU 13 1.329 -5.490 -0.454 89 3HD1 LEU 13 3HD1 LEU 13 2.407 -4.352 0.388 90 1HD2 LEU 13 1HD2 LEU 13 3.317 -6.106 2.586 91 2HD2 LEU 13 2HD2 LEU 13 1.624 -6.020 2.043 92 3HD2 LEU 13 3HD2 LEU 13 2.441 -7.597 2.163 93 H LYS 14 H LYS 14 4.623 -11.059 -0.586 94 HA LYS 14 HA LYS 14 3.515 -11.444 -3.266 95 1HB LYS 14 1HB LYS 14 5.394 -12.570 -4.076 96 2HB LYS 14 2HB LYS 14 6.060 -11.164 -3.269 97 1HG LYS 14 1HG LYS 14 5.920 -13.059 -1.208 98 2HG LYS 14 2HG LYS 14 6.359 -14.028 -2.600 99 1HD LYS 14 1HD LYS 14 7.883 -11.521 -2.550 100 2HD LYS 14 2HD LYS 14 8.083 -12.402 -1.049 101 1HE LYS 14 1HE LYS 14 8.428 -13.677 -3.803 102 2HE LYS 14 2HE LYS 14 9.757 -13.006 -2.878 103 1HZ LYS 14 1HZ LYS 14 8.061 -15.284 -2.175 104 2HZ LYS 14 2HZ LYS 14 9.685 -15.245 -2.343 105 3HZ LYS 14 3HZ LYS 14 8.980 -14.530 -1.055 106 H ARG 15 H ARG 15 2.379 -13.364 -3.534 107 HA ARG 15 HA ARG 15 2.111 -14.873 -1.067 108 1HB ARG 15 1HB ARG 15 0.033 -13.804 -1.971 109 2HB ARG 15 2HB ARG 15 0.232 -14.678 -3.477 110 1HG ARG 15 1HG ARG 15 -0.843 -16.471 -2.605 111 2HG ARG 15 2HG ARG 15 0.372 -16.611 -1.349 112 1HD ARG 15 1HD ARG 15 -0.914 -14.718 -0.112 113 2HD ARG 15 2HD ARG 15 -2.207 -14.988 -1.264 114 HE ARG 15 HE ARG 15 -1.414 -16.772 0.924 115 1HH1 ARG 15 1HH1 ARG 15 -3.083 -16.558 -2.166 116 2HH1 ARG 15 2HH1 ARG 15 -4.056 -17.963 -1.883 117 1HH2 ARG 15 1HH2 ARG 15 -2.697 -18.625 1.298 118 2HH2 ARG 15 2HH2 ARG 15 -3.835 -19.146 0.101 119 H THR 16 H THR 16 2.756 -17.025 -1.024 120 HA THR 16 HA THR 16 3.939 -18.097 -3.434 121 HB THR 16 HB THR 16 3.716 -19.085 -0.543 122 HG1 THR 16 HG1 THR 16 5.210 -17.420 -0.567 123 1HG2 THR 16 1HG2 THR 16 5.712 -19.995 -2.657 124 2HG2 THR 16 2HG2 THR 16 5.355 -20.744 -1.083 125 3HG2 THR 16 3HG2 THR 16 4.180 -20.867 -2.414 126 H GLY 17 H GLY 17 3.170 -19.669 -4.748 127 1HA GLY 17 1HA GLY 17 1.728 -21.748 -4.626 128 2HA GLY 17 2HA GLY 17 0.462 -20.656 -4.101 129 H MET 18 H MET 18 -0.931 -20.097 -5.708 130 HA MET 18 HA MET 18 -0.556 -20.679 -8.326 131 1HB MET 18 1HB MET 18 -2.574 -19.617 -6.768 132 2HB MET 18 2HB MET 18 -2.142 -18.199 -7.703 133 1HG MET 18 1HG MET 18 -2.289 -20.532 -9.456 134 2HG MET 18 2HG MET 18 -3.773 -20.385 -8.536 135 1HE MET 18 1HE MET 18 -3.652 -18.592 -12.310 136 2HE MET 18 2HE MET 18 -2.273 -19.557 -11.731 137 3HE MET 18 3HE MET 18 -3.931 -20.174 -11.544 138 H THR 19 H THR 19 1.036 -19.994 -9.694 139 HA THR 19 HA THR 19 1.922 -17.202 -9.433 140 HB THR 19 HB THR 19 3.230 -19.785 -10.399 141 HG1 THR 19 HG1 THR 19 3.179 -19.010 -8.093 142 1HG2 THR 19 1HG2 THR 19 3.837 -16.952 -11.130 143 2HG2 THR 19 2HG2 THR 19 5.209 -17.857 -10.446 144 3HG2 THR 19 3HG2 THR 19 4.383 -18.460 -11.903 145 H GLY 20 H GLY 20 0.067 -16.357 -10.563 146 1HA GLY 20 1HA GLY 20 0.337 -16.753 -13.478 147 2HA GLY 20 2HA GLY 20 -1.231 -16.760 -12.697 148 H GLU 21 H GLU 21 -1.504 -14.748 -11.058 149 HA GLU 21 HA GLU 21 -1.365 -12.496 -12.727 150 1HB GLU 21 1HB GLU 21 -2.982 -13.217 -10.682 151 2HB GLU 21 2HB GLU 21 -1.886 -12.184 -9.786 152 1HG GLU 21 1HG GLU 21 -2.364 -10.279 -11.204 153 2HG GLU 21 2HG GLU 21 -3.184 -11.276 -12.389 154 H VAL 22 H VAL 22 -0.515 -10.287 -11.709 155 HA VAL 22 HA VAL 22 2.293 -10.726 -11.240 156 HB VAL 22 HB VAL 22 2.568 -8.512 -11.819 157 1HG1 VAL 22 1HG1 VAL 22 1.286 -8.134 -13.814 158 2HG1 VAL 22 2HG1 VAL 22 1.526 -9.890 -13.646 159 3HG1 VAL 22 3HG1 VAL 22 -0.042 -9.161 -13.223 160 1HG2 VAL 22 1HG2 VAL 22 0.008 -8.124 -10.410 161 2HG2 VAL 22 2HG2 VAL 22 1.425 -7.055 -10.536 162 3HG2 VAL 22 3HG2 VAL 22 0.220 -7.093 -11.846 163 H MET 23 H MET 23 3.464 -10.086 -9.379 164 HA MET 23 HA MET 23 1.839 -10.136 -7.015 165 1HB MET 23 1HB MET 23 3.929 -10.600 -5.878 166 2HB MET 23 2HB MET 23 4.031 -11.458 -7.403 167 1HG MET 23 1HG MET 23 5.029 -8.880 -7.998 168 2HG MET 23 2HG MET 23 5.681 -9.234 -6.410 169 1HE MET 23 1HE MET 23 8.751 -10.945 -7.406 170 2HE MET 23 2HE MET 23 8.023 -9.403 -6.898 171 3HE MET 23 3HE MET 23 7.669 -10.895 -5.994 172 H GLN 24 H GLN 24 2.291 -8.590 -5.172 173 HA GLN 24 HA GLN 24 2.728 -5.944 -6.304 174 1HB GLN 24 1HB GLN 24 1.379 -5.090 -4.435 175 2HB GLN 24 2HB GLN 24 0.496 -6.336 -5.294 176 1HG GLN 24 1HG GLN 24 2.095 -7.583 -3.214 177 2HG GLN 24 2HG GLN 24 1.177 -6.267 -2.511 178 1HE2 GLN 24 1HE2 GLN 24 -0.516 -7.099 -1.550 179 2HE2 GLN 24 2HE2 GLN 24 -1.641 -8.237 -2.212 180 H VAL 25 H VAL 25 3.843 -4.319 -4.863 181 HA VAL 25 HA VAL 25 5.605 -5.569 -2.898 182 HB VAL 25 HB VAL 25 6.570 -5.346 -5.318 183 1HG1 VAL 25 1HG1 VAL 25 7.581 -3.241 -5.860 184 2HG1 VAL 25 2HG1 VAL 25 5.862 -2.937 -5.514 185 3HG1 VAL 25 3HG1 VAL 25 7.099 -2.539 -4.297 186 1HG2 VAL 25 1HG2 VAL 25 7.829 -4.765 -2.670 187 2HG2 VAL 25 2HG2 VAL 25 8.109 -6.108 -3.803 188 3HG2 VAL 25 3HG2 VAL 25 8.806 -4.504 -4.134 189 H LYS 26 H LYS 26 6.411 -4.068 -1.299 190 HA LYS 26 HA LYS 26 4.787 -1.625 -1.220 191 1HB LYS 26 1HB LYS 26 4.572 -3.527 0.550 192 2HB LYS 26 2HB LYS 26 6.083 -2.903 1.180 193 1HG LYS 26 1HG LYS 26 4.890 -0.553 1.072 194 2HG LYS 26 2HG LYS 26 3.409 -1.483 0.958 195 1HD LYS 26 1HD LYS 26 5.477 -1.856 3.175 196 2HD LYS 26 2HD LYS 26 4.065 -0.829 3.327 197 1HE LYS 26 1HE LYS 26 2.982 -3.238 2.390 198 2HE LYS 26 2HE LYS 26 4.263 -3.778 3.457 199 1HZ LYS 26 1HZ LYS 26 3.347 -2.353 5.169 200 2HZ LYS 26 2HZ LYS 26 2.146 -1.869 4.174 201 3HZ LYS 26 3HZ LYS 26 2.231 -3.428 4.653 202 H CYS 27 H CYS 27 5.780 0.338 -1.251 203 HA CYS 27 HA CYS 27 8.642 0.369 -0.685 204 1HB CYS 27 1HB CYS 27 9.167 1.654 -2.629 205 2HB CYS 27 2HB CYS 27 8.295 0.232 -3.166 206 HG CYS 27 HG CYS 27 7.494 3.387 -3.040 207 H ARG 28 H ARG 28 9.175 2.096 0.651 208 HA ARG 28 HA ARG 28 6.989 3.902 1.230 209 1HB ARG 28 1HB ARG 28 7.973 2.707 3.159 210 2HB ARG 28 2HB ARG 28 9.575 3.282 2.743 211 1HG ARG 28 1HG ARG 28 7.693 5.520 2.975 212 2HG ARG 28 2HG ARG 28 7.698 4.557 4.439 213 1HD ARG 28 1HD ARG 28 10.347 5.313 3.178 214 2HD ARG 28 2HD ARG 28 9.475 6.518 4.106 215 HE ARG 28 HE ARG 28 10.950 4.316 5.192 216 1HH1 ARG 28 1HH1 ARG 28 7.921 6.039 5.676 217 2HH1 ARG 28 2HH1 ARG 28 7.831 5.666 7.365 218 1HH2 ARG 28 1HH2 ARG 28 10.832 3.823 7.420 219 2HH2 ARG 28 2HH2 ARG 28 9.498 4.397 8.364 220 H ILE 29 H ILE 29 7.212 6.180 1.015 221 HA ILE 29 HA ILE 29 8.934 7.118 -0.929 222 HB ILE 29 HB ILE 29 7.196 8.369 1.154 223 1HG1 ILE 29 1HG1 ILE 29 7.161 7.918 -1.793 224 2HG1 ILE 29 2HG1 ILE 29 5.879 7.742 -0.611 225 1HG2 ILE 29 1HG2 ILE 29 7.753 10.599 0.418 226 2HG2 ILE 29 2HG2 ILE 29 9.219 9.794 1.028 227 3HG2 ILE 29 3HG2 ILE 29 8.959 9.962 -0.725 228 1HD1 ILE 29 1HD1 ILE 29 5.629 10.179 -0.431 229 2HD1 ILE 29 2HD1 ILE 29 7.029 10.427 -1.502 230 3HD1 ILE 29 3HD1 ILE 29 5.535 9.702 -2.144 231 H LEU 30 H LEU 30 10.899 8.267 -0.909 232 HA LEU 30 HA LEU 30 12.354 8.017 1.630 233 1HB LEU 30 1HB LEU 30 13.197 7.709 -1.235 234 2HB LEU 30 2HB LEU 30 14.367 8.128 0.001 235 HG LEU 30 HG LEU 30 12.610 5.659 0.064 236 1HD1 LEU 30 1HD1 LEU 30 15.427 6.084 -0.929 237 2HD1 LEU 30 2HD1 LEU 30 14.839 4.493 -0.390 238 3HD1 LEU 30 3HD1 LEU 30 14.050 5.318 -1.756 239 1HD2 LEU 30 1HD2 LEU 30 14.400 4.960 1.776 240 2HD2 LEU 30 2HD2 LEU 30 14.784 6.696 1.875 241 3HD2 LEU 30 3HD2 LEU 30 13.150 6.120 2.287 242 H ASP 31 H ASP 31 10.963 10.157 -0.698 243 HA ASP 31 HA ASP 31 11.897 12.365 0.800 244 1HB ASP 31 1HB ASP 31 12.677 13.453 -1.531 245 2HB ASP 31 2HB ASP 31 13.800 12.597 -0.492 246 H GLY 32 H GLY 32 10.643 14.332 0.193 247 1HA GLY 32 1HA GLY 32 9.170 15.193 -1.670 248 2HA GLY 32 2HA GLY 32 8.301 13.682 -1.487 249 H ARG 33 H ARG 33 6.865 16.002 -1.145 250 HA ARG 33 HA ARG 33 6.912 16.998 1.439 251 1HB ARG 33 1HB ARG 33 5.555 17.577 -0.922 252 2HB ARG 33 2HB ARG 33 4.258 16.970 0.088 253 1HG ARG 33 1HG ARG 33 6.176 18.963 1.297 254 2HG ARG 33 2HG ARG 33 4.995 19.555 0.145 255 1HD ARG 33 1HD ARG 33 3.801 17.713 2.125 256 2HD ARG 33 2HD ARG 33 4.546 19.109 2.879 257 HE ARG 33 HE ARG 33 3.015 20.011 0.636 258 1HH1 ARG 33 1HH1 ARG 33 2.545 18.628 3.838 259 2HH1 ARG 33 2HH1 ARG 33 0.990 19.358 4.064 260 1HH2 ARG 33 1HH2 ARG 33 0.964 20.974 0.934 261 2HH2 ARG 33 2HH2 ARG 33 0.085 20.701 2.402 262 H ASP 34 H ASP 34 5.825 13.974 0.142 263 HA ASP 34 HA ASP 34 4.021 13.582 2.380 264 1HB ASP 34 1HB ASP 34 4.519 12.010 -0.186 265 2HB ASP 34 2HB ASP 34 3.492 11.408 1.100 266 H LYS 35 H LYS 35 7.212 13.498 2.004 267 HA LYS 35 HA LYS 35 8.459 11.246 2.125 268 1HB LYS 35 1HB LYS 35 8.993 13.701 3.121 269 2HB LYS 35 2HB LYS 35 8.881 12.804 4.622 270 1HG LYS 35 1HG LYS 35 10.562 11.183 3.844 271 2HG LYS 35 2HG LYS 35 10.593 11.918 2.253 272 1HD LYS 35 1HD LYS 35 11.303 13.453 4.792 273 2HD LYS 35 2HD LYS 35 12.497 12.593 3.841 274 1HE LYS 35 1HE LYS 35 12.166 14.007 1.928 275 2HE LYS 35 2HE LYS 35 10.650 14.633 2.545 276 1HZ LYS 35 1HZ LYS 35 12.727 16.036 2.794 277 2HZ LYS 35 2HZ LYS 35 11.746 15.913 4.093 278 3HZ LYS 35 3HZ LYS 35 13.130 15.049 4.030 279 H GLY 36 H GLY 36 8.501 9.270 3.127 280 1HA GLY 36 1HA GLY 36 8.119 7.767 4.834 281 2HA GLY 36 2HA GLY 36 7.082 8.921 5.649 282 H ARG 37 H ARG 37 5.979 9.251 2.593 283 HA ARG 37 HA ARG 37 3.662 7.833 3.093 284 1HB ARG 37 1HB ARG 37 4.589 9.708 1.184 285 2HB ARG 37 2HB ARG 37 4.151 8.307 0.226 286 1HG ARG 37 1HG ARG 37 1.965 8.342 1.786 287 2HG ARG 37 2HG ARG 37 2.402 10.028 1.985 288 1HD ARG 37 1HD ARG 37 2.474 10.261 -0.540 289 2HD ARG 37 2HD ARG 37 1.916 8.605 -0.677 290 HE ARG 37 HE ARG 37 0.296 10.917 -0.003 291 1HH1 ARG 37 1HH1 ARG 37 0.610 7.455 0.546 292 2HH1 ARG 37 2HH1 ARG 37 -1.073 7.227 0.888 293 1HH2 ARG 37 1HH2 ARG 37 -1.924 10.617 0.449 294 2HH2 ARG 37 2HH2 ARG 37 -2.524 9.038 0.833 295 H ILE 38 H ILE 38 3.068 5.707 2.674 296 HA ILE 38 HA ILE 38 4.941 4.148 1.031 297 HB ILE 38 HB ILE 38 3.325 3.233 3.414 298 1HG1 ILE 38 1HG1 ILE 38 6.129 2.953 3.813 299 2HG1 ILE 38 2HG1 ILE 38 5.849 4.596 3.271 300 1HG2 ILE 38 1HG2 ILE 38 4.162 1.104 3.119 301 2HG2 ILE 38 2HG2 ILE 38 3.883 1.619 1.438 302 3HG2 ILE 38 3HG2 ILE 38 5.527 1.658 2.119 303 1HD1 ILE 38 1HD1 ILE 38 5.660 4.082 5.827 304 2HD1 ILE 38 2HD1 ILE 38 4.399 5.092 5.080 305 3HD1 ILE 38 3HD1 ILE 38 4.081 3.373 5.413 306 H LEU 39 H LEU 39 4.108 3.028 -0.687 307 HA LEU 39 HA LEU 39 1.205 2.736 -0.799 308 1HB LEU 39 1HB LEU 39 2.922 4.060 -2.898 309 2HB LEU 39 2HB LEU 39 1.303 3.462 -3.202 310 HG LEU 39 HG LEU 39 1.157 5.811 -2.846 311 1HD1 LEU 39 1HD1 LEU 39 0.222 5.105 -0.148 312 2HD1 LEU 39 2HD1 LEU 39 -0.668 5.750 -1.549 313 3HD1 LEU 39 3HD1 LEU 39 -0.331 4.005 -1.434 314 1HD2 LEU 39 1HD2 LEU 39 2.567 6.960 -1.579 315 2HD2 LEU 39 2HD2 LEU 39 2.003 6.117 -0.116 316 3HD2 LEU 39 3HD2 LEU 39 3.329 5.429 -1.085 317 H THR 40 H THR 40 0.501 0.979 -2.165 318 HA THR 40 HA THR 40 2.700 -0.828 -2.926 319 HB THR 40 HB THR 40 0.018 -1.814 -1.907 320 HG1 THR 40 HG1 THR 40 2.355 -0.724 -0.526 321 1HG2 THR 40 1HG2 THR 40 2.598 -2.983 -0.992 322 2HG2 THR 40 2HG2 THR 40 1.145 -3.803 -1.611 323 3HG2 THR 40 3HG2 THR 40 2.330 -3.113 -2.747 324 H ARG 41 H ARG 41 2.550 -1.886 -4.873 325 HA ARG 41 HA ARG 41 0.080 -1.509 -6.321 326 1HB ARG 41 1HB ARG 41 2.844 -0.662 -7.313 327 2HB ARG 41 2HB ARG 41 1.479 -0.876 -8.391 328 1HG ARG 41 1HG ARG 41 0.689 1.182 -7.866 329 2HG ARG 41 2HG ARG 41 0.608 0.753 -6.169 330 1HD ARG 41 1HD ARG 41 2.185 2.419 -5.951 331 2HD ARG 41 2HD ARG 41 3.301 1.138 -6.382 332 HE ARG 41 HE ARG 41 3.719 2.264 -8.376 333 1HH1 ARG 41 1HH1 ARG 41 0.527 3.195 -7.224 334 2HH1 ARG 41 2HH1 ARG 41 0.261 4.339 -8.497 335 1HH2 ARG 41 1HH2 ARG 41 3.369 3.774 -10.056 336 2HH2 ARG 41 2HH2 ARG 41 1.888 4.671 -10.118 337 H ASN 42 H ASN 42 -0.101 -3.022 -8.209 338 HA ASN 42 HA ASN 42 1.279 -5.455 -7.589 339 1HB ASN 42 1HB ASN 42 -0.260 -6.365 -9.446 340 2HB ASN 42 2HB ASN 42 -1.081 -5.698 -8.049 341 1HD2 ASN 42 1HD2 ASN 42 -0.217 -5.253 -11.391 342 2HD2 ASN 42 2HD2 ASN 42 -1.305 -3.958 -11.765 343 H VAL 43 H VAL 43 3.157 -6.042 -8.690 344 HA VAL 43 HA VAL 43 3.453 -5.110 -11.446 345 HB VAL 43 HB VAL 43 4.670 -3.518 -10.141 346 1HG1 VAL 43 1HG1 VAL 43 5.312 -4.130 -8.082 347 2HG1 VAL 43 2HG1 VAL 43 5.336 -5.858 -8.510 348 3HG1 VAL 43 3HG1 VAL 43 6.749 -4.834 -8.863 349 1HG2 VAL 43 1HG2 VAL 43 5.947 -3.789 -12.011 350 2HG2 VAL 43 2HG2 VAL 43 7.131 -4.350 -10.807 351 3HG2 VAL 43 3HG2 VAL 43 6.181 -5.532 -11.739 352 H MET 44 H MET 44 4.252 -6.668 -12.822 353 HA MET 44 HA MET 44 4.604 -9.257 -11.619 354 1HB MET 44 1HB MET 44 3.298 -8.465 -13.862 355 2HB MET 44 2HB MET 44 4.871 -8.721 -14.591 356 1HG MET 44 1HG MET 44 4.905 -11.059 -13.657 357 2HG MET 44 2HG MET 44 3.312 -10.798 -12.976 358 1HE MET 44 1HE MET 44 1.156 -11.875 -14.636 359 2HE MET 44 2HE MET 44 2.096 -13.036 -15.603 360 3HE MET 44 3HE MET 44 2.544 -12.719 -13.909 361 H GLY 45 H GLY 45 6.559 -10.258 -11.309 362 1HA GLY 45 1HA GLY 45 8.718 -10.647 -12.591 363 2HA GLY 45 2HA GLY 45 8.931 -8.914 -12.442 364 HA PRO 46 HA PRO 46 10.339 -11.149 -8.602 365 1HB PRO 46 1HB PRO 46 12.995 -11.567 -9.091 366 2HB PRO 46 2HB PRO 46 11.775 -12.809 -9.296 367 1HG PRO 46 1HG PRO 46 13.190 -11.242 -11.365 368 2HG PRO 46 2HG PRO 46 12.308 -12.746 -11.539 369 1HD PRO 46 1HD PRO 46 11.407 -10.129 -12.294 370 2HD PRO 46 2HD PRO 46 10.481 -11.616 -12.360 371 H ILE 47 H ILE 47 9.764 -9.131 -7.711 372 HA ILE 47 HA ILE 47 12.152 -7.439 -7.474 373 HB ILE 47 HB ILE 47 10.391 -6.544 -9.034 374 1HG1 ILE 47 1HG1 ILE 47 10.462 -4.477 -6.982 375 2HG1 ILE 47 2HG1 ILE 47 12.013 -5.278 -7.138 376 1HG2 ILE 47 1HG2 ILE 47 8.764 -5.689 -6.696 377 2HG2 ILE 47 2HG2 ILE 47 8.287 -6.009 -8.380 378 3HG2 ILE 47 3HG2 ILE 47 8.565 -7.365 -7.261 379 1HD1 ILE 47 1HD1 ILE 47 10.444 -4.279 -9.552 380 2HD1 ILE 47 2HD1 ILE 47 11.640 -3.279 -8.692 381 3HD1 ILE 47 3HD1 ILE 47 12.150 -4.783 -9.496 382 H ARG 48 H ARG 48 12.826 -7.203 -5.411 383 HA ARG 48 HA ARG 48 10.794 -7.585 -3.365 384 1HB ARG 48 1HB ARG 48 12.613 -8.671 -1.955 385 2HB ARG 48 2HB ARG 48 12.144 -9.609 -3.359 386 1HG ARG 48 1HG ARG 48 14.485 -7.665 -3.458 387 2HG ARG 48 2HG ARG 48 14.689 -9.313 -2.900 388 1HD ARG 48 1HD ARG 48 13.207 -9.551 -5.308 389 2HD ARG 48 2HD ARG 48 14.402 -8.314 -5.643 390 HE ARG 48 HE ARG 48 16.127 -9.912 -5.400 391 1HH1 ARG 48 1HH1 ARG 48 13.049 -11.269 -4.367 392 2HH1 ARG 48 2HH1 ARG 48 13.647 -12.892 -4.284 393 1HH2 ARG 48 1HH2 ARG 48 16.917 -12.053 -5.290 394 2HH2 ARG 48 2HH2 ARG 48 15.862 -13.341 -4.812 395 H GLU 49 H GLU 49 11.424 -6.537 -1.216 396 HA GLU 49 HA GLU 49 11.850 -3.957 -1.369 397 1HB GLU 49 1HB GLU 49 13.133 -4.355 0.984 398 2HB GLU 49 2HB GLU 49 11.400 -4.540 0.802 399 1HG GLU 49 1HG GLU 49 11.492 -6.798 1.128 400 2HG GLU 49 2HG GLU 49 12.845 -6.989 0.031 401 H GLY 50 H GLY 50 13.538 -2.438 -1.520 402 1HA GLY 50 1HA GLY 50 15.903 -1.987 -1.262 403 2HA GLY 50 2HA GLY 50 16.240 -3.567 -1.942 404 H ASP 51 H ASP 51 13.780 -3.051 -3.847 405 HA ASP 51 HA ASP 51 15.383 -2.081 -5.949 406 1HB ASP 51 1HB ASP 51 12.688 -3.240 -5.575 407 2HB ASP 51 2HB ASP 51 12.719 -2.022 -6.834 408 H ILE 52 H ILE 52 13.932 -0.386 -7.518 409 HA ILE 52 HA ILE 52 13.167 1.834 -5.754 410 HB ILE 52 HB ILE 52 14.692 2.069 -8.348 411 1HG1 ILE 52 1HG1 ILE 52 15.652 1.983 -5.488 412 2HG1 ILE 52 2HG1 ILE 52 16.214 1.049 -6.860 413 1HG2 ILE 52 1HG2 ILE 52 13.974 4.110 -6.226 414 2HG2 ILE 52 2HG2 ILE 52 15.020 4.402 -7.635 415 3HG2 ILE 52 3HG2 ILE 52 13.302 4.001 -7.871 416 1HD1 ILE 52 1HD1 ILE 52 16.865 3.357 -7.912 417 2HD1 ILE 52 2HD1 ILE 52 16.696 3.981 -6.253 418 3HD1 ILE 52 3HD1 ILE 52 17.885 2.705 -6.607 419 H LEU 53 H LEU 53 11.220 2.779 -6.195 420 HA LEU 53 HA LEU 53 10.034 2.223 -8.805 421 1HB LEU 53 1HB LEU 53 8.110 2.051 -6.622 422 2HB LEU 53 2HB LEU 53 8.296 1.058 -8.053 423 HG LEU 53 HG LEU 53 10.004 0.780 -5.566 424 1HD1 LEU 53 1HD1 LEU 53 8.651 -1.035 -4.867 425 2HD1 LEU 53 2HD1 LEU 53 7.543 0.313 -5.221 426 3HD1 LEU 53 3HD1 LEU 53 7.719 -1.023 -6.384 427 1HD2 LEU 53 1HD2 LEU 53 11.282 -0.566 -6.775 428 2HD2 LEU 53 2HD2 LEU 53 9.874 -1.601 -7.117 429 3HD2 LEU 53 3HD2 LEU 53 10.276 -0.256 -8.211 430 H MET 54 H MET 54 8.130 3.694 -9.231 431 HA MET 54 HA MET 54 8.779 6.272 -8.073 432 1HB MET 54 1HB MET 54 7.187 5.408 -10.548 433 2HB MET 54 2HB MET 54 7.341 7.083 -10.057 434 1HG MET 54 1HG MET 54 9.953 5.699 -10.169 435 2HG MET 54 2HG MET 54 9.123 5.685 -11.712 436 1HE MET 54 1HE MET 54 10.131 9.080 -8.996 437 2HE MET 54 2HE MET 54 10.492 7.342 -8.863 438 3HE MET 54 3HE MET 54 11.593 8.414 -9.761 439 H LEU 55 H LEU 55 7.369 7.400 -6.763 440 HA LEU 55 HA LEU 55 4.814 6.077 -6.233 441 1HB LEU 55 1HB LEU 55 6.393 8.083 -4.617 442 2HB LEU 55 2HB LEU 55 4.840 7.415 -4.155 443 HG LEU 55 HG LEU 55 6.879 6.401 -3.057 444 1HD1 LEU 55 1HD1 LEU 55 5.496 4.168 -4.448 445 2HD1 LEU 55 2HD1 LEU 55 5.768 4.456 -2.713 446 3HD1 LEU 55 3HD1 LEU 55 4.478 5.334 -3.569 447 1HD2 LEU 55 1HD2 LEU 55 8.317 4.948 -4.203 448 2HD2 LEU 55 2HD2 LEU 55 7.270 4.895 -5.641 449 3HD2 LEU 55 3HD2 LEU 55 8.183 6.375 -5.259 450 H LEU 56 H LEU 56 3.144 6.842 -7.411 451 HA LEU 56 HA LEU 56 3.200 9.690 -8.096 452 1HB LEU 56 1HB LEU 56 3.143 8.235 -10.001 453 2HB LEU 56 2HB LEU 56 1.793 7.330 -9.344 454 HG LEU 56 HG LEU 56 0.660 9.774 -9.418 455 1HD1 LEU 56 1HD1 LEU 56 2.939 10.546 -10.473 456 2HD1 LEU 56 2HD1 LEU 56 2.232 9.880 -11.965 457 3HD1 LEU 56 3HD1 LEU 56 1.391 11.177 -11.082 458 1HD2 LEU 56 1HD2 LEU 56 0.363 7.367 -10.738 459 2HD2 LEU 56 2HD2 LEU 56 -0.728 8.769 -10.846 460 3HD2 LEU 56 3HD2 LEU 56 0.549 8.539 -12.065 461 H ASP 57 H ASP 57 1.491 11.058 -7.536 462 HA ASP 57 HA ASP 57 0.231 10.538 -5.182 463 1HB ASP 57 1HB ASP 57 -0.613 12.381 -7.467 464 2HB ASP 57 2HB ASP 57 -1.309 12.451 -5.860 465 H THR 58 H THR 58 -1.532 9.221 -4.681 466 HA THR 58 HA THR 58 -3.086 8.146 -6.906 467 HB THR 58 HB THR 58 -2.186 7.280 -4.217 468 HG1 THR 58 HG1 THR 58 -3.294 6.113 -6.674 469 1HG2 THR 58 1HG2 THR 58 -4.934 6.385 -5.218 470 2HG2 THR 58 2HG2 THR 58 -4.110 5.879 -3.723 471 3HG2 THR 58 3HG2 THR 58 -4.729 7.540 -3.879 472 H ILE 59 H ILE 59 -5.029 8.891 -7.464 473 HA ILE 59 HA ILE 59 -6.371 10.608 -5.502 474 HB ILE 59 HB ILE 59 -5.623 11.585 -7.683 475 1HG1 ILE 59 1HG1 ILE 59 -8.075 12.495 -8.146 476 2HG1 ILE 59 2HG1 ILE 59 -8.433 11.652 -6.652 477 1HG2 ILE 59 1HG2 ILE 59 -7.247 11.087 -9.613 478 2HG2 ILE 59 2HG2 ILE 59 -5.949 9.915 -9.283 479 3HG2 ILE 59 3HG2 ILE 59 -7.610 9.580 -8.738 480 1HD1 ILE 59 1HD1 ILE 59 -7.178 13.095 -5.365 481 2HD1 ILE 59 2HD1 ILE 59 -5.951 13.324 -6.634 482 3HD1 ILE 59 3HD1 ILE 59 -7.497 14.202 -6.722 483 H ARG 60 H ARG 60 -8.401 10.095 -4.759 484 HA ARG 60 HA ARG 60 -9.300 7.473 -5.504 485 1HB ARG 60 1HB ARG 60 -10.338 9.421 -3.383 486 2HB ARG 60 2HB ARG 60 -10.884 7.766 -3.571 487 1HG ARG 60 1HG ARG 60 -7.967 7.841 -3.435 488 2HG ARG 60 2HG ARG 60 -8.650 8.689 -2.062 489 1HD ARG 60 1HD ARG 60 -9.874 6.764 -1.325 490 2HD ARG 60 2HD ARG 60 -9.716 5.959 -2.873 491 HE ARG 60 HE ARG 60 -7.612 5.171 -2.221 492 1HH1 ARG 60 1HH1 ARG 60 -8.521 7.865 -0.148 493 2HH1 ARG 60 2HH1 ARG 60 -7.171 7.666 0.919 494 1HH2 ARG 60 1HH2 ARG 60 -5.831 4.907 -0.813 495 2HH2 ARG 60 2HH2 ARG 60 -5.631 5.972 0.538 496 H GLU 61 H GLU 61 -11.549 7.044 -6.178 497 HA GLU 61 HA GLU 61 -12.504 9.142 -7.863 498 1HB GLU 61 1HB GLU 61 -14.191 7.381 -8.559 499 2HB GLU 61 2HB GLU 61 -12.516 6.922 -8.792 500 1HG GLU 61 1HG GLU 61 -13.396 6.187 -6.103 501 2HG GLU 61 2HG GLU 61 -14.493 5.524 -7.298 502 H ALA 62 H ALA 62 -14.468 10.287 -7.662 503 HA ALA 62 HA ALA 62 -15.686 10.068 -5.005 504 1HB ALA 62 1HB ALA 62 -16.565 12.386 -6.415 505 2HB ALA 62 2HB ALA 62 -15.468 12.302 -5.016 506 3HB ALA 62 3HB ALA 62 -14.809 12.251 -6.669 507 H LYS 63 H LYS 63 -17.885 9.663 -4.763 508 HA LYS 63 HA LYS 63 -19.177 8.629 -7.140 509 1HB LYS 63 1HB LYS 63 -19.105 7.332 -5.017 510 2HB LYS 63 2HB LYS 63 -20.062 8.576 -4.239 511 1HG LYS 63 1HG LYS 63 -21.239 7.665 -6.797 512 2HG LYS 63 2HG LYS 63 -21.070 6.368 -5.631 513 1HD LYS 63 1HD LYS 63 -22.797 7.159 -4.388 514 2HD LYS 63 2HD LYS 63 -22.072 8.752 -4.289 515 1HE LYS 63 1HE LYS 63 -23.336 9.588 -6.026 516 2HE LYS 63 2HE LYS 63 -23.234 8.106 -6.955 517 1HZ LYS 63 1HZ LYS 63 -25.198 8.905 -5.038 518 2HZ LYS 63 2HZ LYS 63 -25.333 7.882 -6.304 519 3HZ LYS 63 3HZ LYS 63 -24.722 7.350 -4.887 520 H GLU 64 H GLU 64 -20.537 9.810 -8.366 521 HA GLU 64 HA GLU 64 -21.511 12.274 -7.176 522 1HB GLU 64 1HB GLU 64 -21.997 12.899 -9.595 523 2HB GLU 64 2HB GLU 64 -20.301 12.683 -9.208 524 1HG GLU 64 1HG GLU 64 -20.092 10.815 -10.535 525 2HG GLU 64 2HG GLU 64 -21.665 10.188 -10.084 526 H ILE 65 H ILE 65 -23.730 12.750 -7.041 527 HA ILE 65 HA ILE 65 -25.452 10.459 -7.189 528 HB ILE 65 HB ILE 65 -25.309 12.499 -5.490 529 1HG1 ILE 65 1HG1 ILE 65 -27.972 11.249 -6.203 530 2HG1 ILE 65 2HG1 ILE 65 -26.683 10.361 -5.415 531 1HG2 ILE 65 1HG2 ILE 65 -26.825 14.235 -5.851 532 2HG2 ILE 65 2HG2 ILE 65 -26.001 14.057 -7.418 533 3HG2 ILE 65 3HG2 ILE 65 -27.634 13.385 -7.189 534 1HD1 ILE 65 1HD1 ILE 65 -28.594 11.767 -4.061 535 2HD1 ILE 65 2HD1 ILE 65 -26.969 11.447 -3.409 536 3HD1 ILE 65 3HD1 ILE 65 -27.324 13.007 -4.190 537 H ARG 66 H ARG 66 -26.887 9.939 -8.780 538 HA ARG 66 HA ARG 66 -26.667 11.402 -11.185 539 1HB ARG 66 1HB ARG 66 -28.243 8.963 -10.285 540 2HB ARG 66 2HB ARG 66 -28.570 9.682 -11.849 541 1HG ARG 66 1HG ARG 66 -26.633 8.879 -12.759 542 2HG ARG 66 2HG ARG 66 -25.678 9.341 -11.365 543 1HD ARG 66 1HD ARG 66 -25.623 7.175 -10.689 544 2HD ARG 66 2HD ARG 66 -27.366 7.186 -10.508 545 HE ARG 66 HE ARG 66 -26.757 6.893 -13.288 546 1HH1 ARG 66 1HH1 ARG 66 -26.520 5.088 -10.276 547 2HH1 ARG 66 2HH1 ARG 66 -26.624 3.540 -11.047 548 1HH2 ARG 66 1HH2 ARG 66 -26.894 4.851 -14.305 549 2HH2 ARG 66 2HH2 ARG 66 -26.838 3.404 -13.354 550 H THR 67 H THR 67 -28.281 12.692 -12.228 551 HA THR 67 HA THR 67 -30.620 13.320 -10.548 552 HB THR 67 HB THR 67 -30.336 15.663 -11.328 553 HG1 THR 67 HG1 THR 67 -28.945 15.958 -13.041 554 1HG2 THR 67 1HG2 THR 67 -27.983 14.249 -10.057 555 2HG2 THR 67 2HG2 THR 67 -27.759 15.927 -10.607 556 3HG2 THR 67 3HG2 THR 67 -29.004 15.548 -9.394 557 HA PRO 68 HA PRO 68 -32.978 12.334 -13.997 558 1HB PRO 68 1HB PRO 68 -35.325 13.588 -13.377 559 2HB PRO 68 2HB PRO 68 -34.859 12.038 -12.703 560 1HG PRO 68 1HG PRO 68 -34.851 14.698 -11.413 561 2HG PRO 68 2HG PRO 68 -34.805 13.114 -10.664 562 1HD PRO 68 1HD PRO 68 -32.601 14.919 -10.999 563 2HD PRO 68 2HD PRO 68 -32.533 13.290 -10.356 Start of MODEL 5 1 HA MET 1 HA MET 1 10.856 18.023 -8.179 2 1HB MET 1 1HB MET 1 9.129 16.425 -6.604 3 2HB MET 1 2HB MET 1 9.121 15.618 -8.160 4 1HG MET 1 1HG MET 1 11.791 16.035 -7.960 5 2HG MET 1 2HG MET 1 11.411 16.040 -6.249 6 1HE MET 1 1HE MET 1 12.553 12.612 -8.444 7 2HE MET 1 2HE MET 1 11.449 13.486 -9.533 8 3HE MET 1 3HE MET 1 12.774 14.356 -8.723 9 H ASP 2 H ASP 2 10.460 15.760 -9.886 10 HA ASP 2 HA ASP 2 9.609 17.155 -12.203 11 1HB ASP 2 1HB ASP 2 10.629 14.336 -11.667 12 2HB ASP 2 2HB ASP 2 10.115 14.829 -13.268 13 H ASP 3 H ASP 3 8.366 14.694 -9.948 14 HA ASP 3 HA ASP 3 5.794 14.986 -10.369 15 1HB ASP 3 1HB ASP 3 6.973 13.572 -12.681 16 2HB ASP 3 2HB ASP 3 5.676 12.659 -11.937 17 H ALA 4 H ALA 4 7.871 12.031 -10.926 18 HA ALA 4 HA ALA 4 6.579 10.749 -8.656 19 1HB ALA 4 1HB ALA 4 8.024 9.920 -11.116 20 2HB ALA 4 2HB ALA 4 8.329 8.918 -9.676 21 3HB ALA 4 3HB ALA 4 6.666 9.142 -10.268 22 H THR 5 H THR 5 7.722 10.008 -6.813 23 HA THR 5 HA THR 5 10.272 11.404 -6.417 24 HB THR 5 HB THR 5 7.857 11.007 -4.866 25 HG1 THR 5 HG1 THR 5 9.008 12.664 -3.705 26 1HG2 THR 5 1HG2 THR 5 9.201 9.006 -3.942 27 2HG2 THR 5 2HG2 THR 5 10.430 10.188 -3.432 28 3HG2 THR 5 3HG2 THR 5 8.787 10.261 -2.750 29 HA PRO 6 HA PRO 6 12.389 7.663 -6.504 30 1HB PRO 6 1HB PRO 6 14.755 8.451 -5.385 31 2HB PRO 6 2HB PRO 6 14.354 8.723 -7.069 32 1HG PRO 6 1HG PRO 6 14.393 10.660 -4.836 33 2HG PRO 6 2HG PRO 6 14.416 10.972 -6.560 34 1HD PRO 6 1HD PRO 6 12.171 11.248 -4.796 35 2HD PRO 6 2HD PRO 6 12.167 11.447 -6.537 36 H ALA 7 H ALA 7 11.603 6.006 -5.360 37 HA ALA 7 HA ALA 7 12.321 6.103 -2.515 38 1HB ALA 7 1HB ALA 7 10.083 4.858 -2.189 39 2HB ALA 7 2HB ALA 7 10.006 6.609 -2.501 40 3HB ALA 7 3HB ALA 7 9.658 5.456 -3.811 41 H GLU 8 H GLU 8 12.532 3.927 -1.532 42 HA GLU 8 HA GLU 8 13.180 1.968 -3.597 43 1HB GLU 8 1HB GLU 8 14.513 2.327 -0.876 44 2HB GLU 8 2HB GLU 8 14.945 1.120 -2.070 45 1HG GLU 8 1HG GLU 8 15.726 2.786 -3.630 46 2HG GLU 8 2HG GLU 8 14.970 4.090 -2.737 47 H VAL 9 H VAL 9 12.294 -0.087 -3.402 48 HA VAL 9 HA VAL 9 10.046 -0.462 -1.876 49 HB VAL 9 HB VAL 9 11.949 -2.590 -2.870 50 1HG1 VAL 9 1HG1 VAL 9 10.293 -4.120 -2.594 51 2HG1 VAL 9 2HG1 VAL 9 9.757 -2.975 -1.341 52 3HG1 VAL 9 3HG1 VAL 9 9.000 -2.950 -2.952 53 1HG2 VAL 9 1HG2 VAL 9 10.374 -2.513 -4.911 54 2HG2 VAL 9 2HG2 VAL 9 9.912 -0.898 -4.323 55 3HG2 VAL 9 3HG2 VAL 9 11.605 -1.236 -4.757 56 H ILE 10 H ILE 10 9.712 -0.689 0.270 57 HA ILE 10 HA ILE 10 12.027 -1.428 1.894 58 HB ILE 10 HB ILE 10 10.690 -0.509 3.757 59 1HG1 ILE 10 1HG1 ILE 10 8.785 1.069 2.428 60 2HG1 ILE 10 2HG1 ILE 10 8.593 -0.534 1.748 61 1HG2 ILE 10 1HG2 ILE 10 11.361 1.643 3.365 62 2HG2 ILE 10 2HG2 ILE 10 12.289 0.790 2.109 63 3HG2 ILE 10 3HG2 ILE 10 10.785 1.640 1.681 64 1HD1 ILE 10 1HD1 ILE 10 8.814 -1.249 4.346 65 2HD1 ILE 10 2HD1 ILE 10 8.179 0.399 4.569 66 3HD1 ILE 10 3HD1 ILE 10 7.256 -0.790 3.618 67 H GLU 11 H GLU 11 8.648 -2.318 1.081 68 HA GLU 11 HA GLU 11 9.217 -4.885 2.317 69 1HB GLU 11 1HB GLU 11 7.820 -4.020 3.985 70 2HB GLU 11 2HB GLU 11 6.888 -3.052 2.860 71 1HG GLU 11 1HG GLU 11 5.574 -4.996 3.691 72 2HG GLU 11 2HG GLU 11 5.795 -5.069 1.954 73 H VAL 12 H VAL 12 8.391 -6.689 1.182 74 HA VAL 12 HA VAL 12 6.955 -6.013 -1.293 75 HB VAL 12 HB VAL 12 9.023 -6.566 -2.103 76 1HG1 VAL 12 1HG1 VAL 12 9.359 -8.758 -0.032 77 2HG1 VAL 12 2HG1 VAL 12 10.587 -8.131 -1.158 78 3HG1 VAL 12 3HG1 VAL 12 9.974 -7.099 0.156 79 1HG2 VAL 12 1HG2 VAL 12 7.557 -9.209 -1.835 80 2HG2 VAL 12 2HG2 VAL 12 7.445 -8.037 -3.170 81 3HG2 VAL 12 3HG2 VAL 12 8.955 -8.941 -2.904 82 H LEU 13 H LEU 13 5.033 -7.045 -1.568 83 HA LEU 13 HA LEU 13 4.458 -9.202 0.334 84 1HB LEU 13 1HB LEU 13 2.366 -7.685 -1.177 85 2HB LEU 13 2HB LEU 13 2.237 -8.549 0.342 86 HG LEU 13 HG LEU 13 4.120 -6.348 0.569 87 1HD1 LEU 13 1HD1 LEU 13 1.386 -5.739 -0.549 88 2HD1 LEU 13 2HD1 LEU 13 2.281 -4.570 0.452 89 3HD1 LEU 13 3HD1 LEU 13 2.976 -5.144 -1.083 90 1HD2 LEU 13 1HD2 LEU 13 3.225 -6.170 2.629 91 2HD2 LEU 13 2HD2 LEU 13 1.551 -6.295 2.037 92 3HD2 LEU 13 3HD2 LEU 13 2.534 -7.764 2.243 93 H LYS 14 H LYS 14 4.809 -11.167 -0.560 94 HA LYS 14 HA LYS 14 3.664 -11.600 -3.216 95 1HB LYS 14 1HB LYS 14 5.601 -12.808 -3.967 96 2HB LYS 14 2HB LYS 14 6.097 -11.202 -3.471 97 1HG LYS 14 1HG LYS 14 6.267 -12.807 -1.123 98 2HG LYS 14 2HG LYS 14 6.933 -13.792 -2.411 99 1HD LYS 14 1HD LYS 14 7.866 -11.010 -2.602 100 2HD LYS 14 2HD LYS 14 8.246 -11.703 -1.038 101 1HE LYS 14 1HE LYS 14 8.900 -13.037 -3.709 102 2HE LYS 14 2HE LYS 14 10.040 -12.085 -2.779 103 1HZ LYS 14 1HZ LYS 14 8.809 -14.633 -2.043 104 2HZ LYS 14 2HZ LYS 14 10.397 -14.260 -2.135 105 3HZ LYS 14 3HZ LYS 14 9.489 -13.670 -0.912 106 H ARG 15 H ARG 15 2.323 -13.332 -3.252 107 HA ARG 15 HA ARG 15 2.760 -15.318 -1.179 108 1HB ARG 15 1HB ARG 15 0.663 -13.513 -1.093 109 2HB ARG 15 2HB ARG 15 -0.082 -14.836 -1.967 110 1HG ARG 15 1HG ARG 15 -0.360 -15.957 -0.019 111 2HG ARG 15 2HG ARG 15 1.379 -16.032 0.180 112 1HD ARG 15 1HD ARG 15 1.398 -14.359 1.752 113 2HD ARG 15 2HD ARG 15 0.254 -13.375 0.862 114 HE ARG 15 HE ARG 15 -0.383 -15.371 2.927 115 1HH1 ARG 15 1HH1 ARG 15 -1.626 -13.440 0.261 116 2HH1 ARG 15 2HH1 ARG 15 -3.272 -13.533 0.793 117 1HH2 ARG 15 1HH2 ARG 15 -2.554 -15.493 3.630 118 2HH2 ARG 15 2HH2 ARG 15 -3.803 -14.708 2.722 119 H THR 16 H THR 16 2.590 -17.456 -1.917 120 HA THR 16 HA THR 16 1.796 -17.755 -4.735 121 HB THR 16 HB THR 16 4.147 -18.291 -4.358 122 HG1 THR 16 HG1 THR 16 3.350 -19.944 -5.641 123 1HG2 THR 16 1HG2 THR 16 3.059 -19.533 -1.867 124 2HG2 THR 16 2HG2 THR 16 4.267 -20.516 -2.728 125 3HG2 THR 16 3HG2 THR 16 4.681 -18.873 -2.183 126 H GLY 17 H GLY 17 0.064 -18.943 -5.273 127 1HA GLY 17 1HA GLY 17 -0.990 -21.164 -4.636 128 2HA GLY 17 2HA GLY 17 -1.250 -20.412 -3.075 129 H MET 18 H MET 18 -2.913 -21.254 -5.717 130 HA MET 18 HA MET 18 -4.953 -20.717 -6.335 131 1HB MET 18 1HB MET 18 -4.851 -19.324 -3.992 132 2HB MET 18 2HB MET 18 -4.909 -17.960 -5.090 133 1HG MET 18 1HG MET 18 -7.183 -18.258 -4.973 134 2HG MET 18 2HG MET 18 -6.905 -19.516 -6.162 135 1HE MET 18 1HE MET 18 -9.537 -20.066 -4.553 136 2HE MET 18 2HE MET 18 -9.316 -20.290 -2.801 137 3HE MET 18 3HE MET 18 -8.879 -18.742 -3.562 138 H THR 19 H THR 19 -3.258 -17.501 -6.092 139 HA THR 19 HA THR 19 -3.422 -17.351 -9.029 140 HB THR 19 HB THR 19 -3.796 -14.843 -8.594 141 HG1 THR 19 HG1 THR 19 -3.481 -14.430 -6.440 142 1HG2 THR 19 1HG2 THR 19 -5.980 -15.426 -8.940 143 2HG2 THR 19 2HG2 THR 19 -5.704 -17.037 -8.235 144 3HG2 THR 19 3HG2 THR 19 -6.125 -15.665 -7.182 145 H GLY 20 H GLY 20 -1.331 -18.030 -9.436 146 1HA GLY 20 1HA GLY 20 0.794 -16.401 -8.184 147 2HA GLY 20 2HA GLY 20 0.982 -18.040 -8.776 148 H GLU 21 H GLU 21 0.304 -14.647 -9.790 149 HA GLU 21 HA GLU 21 1.718 -15.256 -12.242 150 1HB GLU 21 1HB GLU 21 -0.741 -15.437 -12.721 151 2HB GLU 21 2HB GLU 21 -0.952 -13.782 -12.183 152 1HG GLU 21 1HG GLU 21 -0.697 -14.136 -14.724 153 2HG GLU 21 2HG GLU 21 0.309 -12.893 -14.006 154 H VAL 22 H VAL 22 -0.130 -12.516 -10.706 155 HA VAL 22 HA VAL 22 2.274 -10.878 -11.100 156 HB VAL 22 HB VAL 22 -0.672 -10.286 -11.078 157 1HG1 VAL 22 1HG1 VAL 22 1.598 -8.388 -10.477 158 2HG1 VAL 22 2HG1 VAL 22 0.092 -7.822 -11.239 159 3HG1 VAL 22 3HG1 VAL 22 0.044 -8.586 -9.632 160 1HG2 VAL 22 1HG2 VAL 22 -0.371 -9.543 -13.247 161 2HG2 VAL 22 2HG2 VAL 22 1.350 -9.163 -12.996 162 3HG2 VAL 22 3HG2 VAL 22 0.827 -10.857 -13.162 163 H MET 23 H MET 23 3.167 -9.750 -9.355 164 HA MET 23 HA MET 23 1.915 -10.366 -6.790 165 1HB MET 23 1HB MET 23 4.070 -10.828 -5.866 166 2HB MET 23 2HB MET 23 4.175 -11.543 -7.462 167 1HG MET 23 1HG MET 23 4.976 -8.940 -7.984 168 2HG MET 23 2HG MET 23 5.590 -9.166 -6.359 169 1HE MET 23 1HE MET 23 8.063 -9.009 -7.004 170 2HE MET 23 2HE MET 23 7.721 -10.297 -5.825 171 3HE MET 23 3HE MET 23 8.874 -10.587 -7.150 172 H GLN 24 H GLN 24 2.388 -8.766 -5.031 173 HA GLN 24 HA GLN 24 2.710 -6.127 -6.224 174 1HB GLN 24 1HB GLN 24 1.382 -5.278 -4.319 175 2HB GLN 24 2HB GLN 24 0.502 -6.513 -5.197 176 1HG GLN 24 1HG GLN 24 2.110 -7.784 -3.136 177 2HG GLN 24 2HG GLN 24 1.182 -6.485 -2.414 178 1HE2 GLN 24 1HE2 GLN 24 -0.637 -7.149 -1.592 179 2HE2 GLN 24 2HE2 GLN 24 -1.709 -8.352 -2.229 180 H VAL 25 H VAL 25 3.824 -4.456 -4.852 181 HA VAL 25 HA VAL 25 5.616 -5.617 -2.862 182 HB VAL 25 HB VAL 25 6.542 -5.444 -5.318 183 1HG1 VAL 25 1HG1 VAL 25 7.153 -2.648 -4.319 184 2HG1 VAL 25 2HG1 VAL 25 7.553 -3.363 -5.900 185 3HG1 VAL 25 3HG1 VAL 25 5.858 -3.012 -5.485 186 1HG2 VAL 25 1HG2 VAL 25 8.800 -4.621 -4.152 187 2HG2 VAL 25 2HG2 VAL 25 7.831 -4.883 -2.682 188 3HG2 VAL 25 3HG2 VAL 25 8.092 -6.221 -3.827 189 H LYS 26 H LYS 26 6.278 -4.127 -1.245 190 HA LYS 26 HA LYS 26 4.680 -1.673 -1.273 191 1HB LYS 26 1HB LYS 26 4.460 -3.500 0.552 192 2HB LYS 26 2HB LYS 26 5.990 -2.894 1.153 193 1HG LYS 26 1HG LYS 26 4.823 -0.521 0.983 194 2HG LYS 26 2HG LYS 26 3.334 -1.445 0.952 195 1HD LYS 26 1HD LYS 26 5.478 -1.668 3.120 196 2HD LYS 26 2HD LYS 26 3.996 -0.745 3.272 197 1HE LYS 26 1HE LYS 26 2.698 -2.899 2.827 198 2HE LYS 26 2HE LYS 26 4.219 -3.767 2.886 199 1HZ LYS 26 1HZ LYS 26 3.173 -3.777 5.014 200 2HZ LYS 26 2HZ LYS 26 4.538 -2.888 5.118 201 3HZ LYS 26 3HZ LYS 26 3.084 -2.147 5.059 202 H CYS 27 H CYS 27 5.633 0.335 -1.168 203 HA CYS 27 HA CYS 27 8.506 0.394 -0.701 204 1HB CYS 27 1HB CYS 27 8.866 1.871 -2.641 205 2HB CYS 27 2HB CYS 27 8.329 0.273 -3.121 206 HG CYS 27 HG CYS 27 6.638 1.124 -4.542 207 H ARG 28 H ARG 28 9.116 2.247 0.472 208 HA ARG 28 HA ARG 28 6.895 4.010 1.106 209 1HB ARG 28 1HB ARG 28 7.922 2.723 3.015 210 2HB ARG 28 2HB ARG 28 9.466 3.481 2.681 211 1HG ARG 28 1HG ARG 28 7.369 5.509 2.908 212 2HG ARG 28 2HG ARG 28 7.383 4.486 4.331 213 1HD ARG 28 1HD ARG 28 10.119 5.175 3.528 214 2HD ARG 28 2HD ARG 28 9.159 6.623 3.753 215 HE ARG 28 HE ARG 28 8.615 4.885 5.945 216 1HH1 ARG 28 1HH1 ARG 28 11.286 6.771 4.645 217 2HH1 ARG 28 2HH1 ARG 28 12.036 7.009 6.189 218 1HH2 ARG 28 1HH2 ARG 28 9.604 5.198 7.980 219 2HH2 ARG 28 2HH2 ARG 28 11.073 6.108 8.098 220 H ILE 29 H ILE 29 7.166 6.291 0.923 221 HA ILE 29 HA ILE 29 8.898 7.218 -1.006 222 HB ILE 29 HB ILE 29 7.209 8.468 1.111 223 1HG1 ILE 29 1HG1 ILE 29 7.178 8.126 -1.852 224 2HG1 ILE 29 2HG1 ILE 29 5.887 7.934 -0.683 225 1HG2 ILE 29 1HG2 ILE 29 9.276 9.832 1.041 226 2HG2 ILE 29 2HG2 ILE 29 9.032 10.066 -0.706 227 3HG2 ILE 29 3HG2 ILE 29 7.840 10.702 0.452 228 1HD1 ILE 29 1HD1 ILE 29 7.091 10.594 -1.578 229 2HD1 ILE 29 2HD1 ILE 29 5.505 9.946 -2.060 230 3HD1 ILE 29 3HD1 ILE 29 5.799 10.411 -0.367 231 H LEU 30 H LEU 30 10.905 8.279 -1.001 232 HA LEU 30 HA LEU 30 12.372 7.978 1.527 233 1HB LEU 30 1HB LEU 30 13.276 7.729 -1.340 234 2HB LEU 30 2HB LEU 30 14.389 7.885 0.004 235 HG LEU 30 HG LEU 30 12.470 5.618 -0.557 236 1HD1 LEU 30 1HD1 LEU 30 14.730 5.770 -1.720 237 2HD1 LEU 30 2HD1 LEU 30 15.455 5.492 -0.118 238 3HD1 LEU 30 3HD1 LEU 30 14.379 4.267 -0.833 239 1HD2 LEU 30 1HD2 LEU 30 12.235 5.819 1.754 240 2HD2 LEU 30 2HD2 LEU 30 13.531 4.614 1.563 241 3HD2 LEU 30 3HD2 LEU 30 13.934 6.295 1.987 242 H ASP 31 H ASP 31 10.999 10.161 -0.741 243 HA ASP 31 HA ASP 31 12.111 12.331 0.692 244 1HB ASP 31 1HB ASP 31 13.878 11.751 -1.084 245 2HB ASP 31 2HB ASP 31 12.694 12.187 -2.300 246 H GLY 32 H GLY 32 10.761 14.223 0.374 247 1HA GLY 32 1HA GLY 32 9.267 15.279 -1.370 248 2HA GLY 32 2HA GLY 32 8.412 13.749 -1.356 249 H ARG 33 H ARG 33 7.118 16.187 -0.705 250 HA ARG 33 HA ARG 33 7.137 16.747 1.995 251 1HB ARG 33 1HB ARG 33 6.132 18.264 0.333 252 2HB ARG 33 2HB ARG 33 4.932 17.063 -0.101 253 1HG ARG 33 1HG ARG 33 5.036 17.756 2.804 254 2HG ARG 33 2HG ARG 33 4.518 19.055 1.749 255 1HD ARG 33 1HD ARG 33 3.308 16.268 1.531 256 2HD ARG 33 2HD ARG 33 2.688 17.442 2.674 257 HE ARG 33 HE ARG 33 2.256 17.450 -0.183 258 1HH1 ARG 33 1HH1 ARG 33 2.712 19.611 2.557 259 2HH1 ARG 33 2HH1 ARG 33 1.845 20.922 1.830 260 1HH2 ARG 33 1HH2 ARG 33 1.111 19.180 -1.142 261 2HH2 ARG 33 2HH2 ARG 33 0.928 20.676 -0.288 262 H ASP 34 H ASP 34 5.927 14.015 0.240 263 HA ASP 34 HA ASP 34 3.951 13.412 2.252 264 1HB ASP 34 1HB ASP 34 4.785 12.132 -0.378 265 2HB ASP 34 2HB ASP 34 3.723 11.289 0.732 266 H LYS 35 H LYS 35 7.207 13.305 2.171 267 HA LYS 35 HA LYS 35 8.379 11.013 2.339 268 1HB LYS 35 1HB LYS 35 8.859 13.442 3.470 269 2HB LYS 35 2HB LYS 35 8.652 12.464 4.909 270 1HG LYS 35 1HG LYS 35 10.756 11.671 4.634 271 2HG LYS 35 2HG LYS 35 10.241 10.884 3.156 272 1HD LYS 35 1HD LYS 35 12.141 12.337 2.648 273 2HD LYS 35 2HD LYS 35 10.710 12.995 1.880 274 1HE LYS 35 1HE LYS 35 11.548 14.929 2.874 275 2HE LYS 35 2HE LYS 35 10.486 14.376 4.154 276 1HZ LYS 35 1HZ LYS 35 12.790 13.064 4.628 277 2HZ LYS 35 2HZ LYS 35 13.317 14.524 4.120 278 3HZ LYS 35 3HZ LYS 35 12.299 14.422 5.393 279 H GLY 36 H GLY 36 8.320 9.026 3.336 280 1HA GLY 36 1HA GLY 36 7.738 7.494 4.948 281 2HA GLY 36 2HA GLY 36 6.672 8.660 5.704 282 H ARG 37 H ARG 37 5.823 9.096 2.585 283 HA ARG 37 HA ARG 37 3.439 7.730 2.862 284 1HB ARG 37 1HB ARG 37 4.633 9.575 1.021 285 2HB ARG 37 2HB ARG 37 4.061 8.229 0.057 286 1HG ARG 37 1HG ARG 37 1.883 8.520 1.640 287 2HG ARG 37 2HG ARG 37 2.490 10.160 1.749 288 1HD ARG 37 1HD ARG 37 2.548 10.284 -0.769 289 2HD ARG 37 2HD ARG 37 1.885 8.664 -0.849 290 HE ARG 37 HE ARG 37 0.429 11.110 -0.190 291 1HH1 ARG 37 1HH1 ARG 37 0.466 7.613 0.195 292 2HH1 ARG 37 2HH1 ARG 37 -1.240 7.496 0.467 293 1HH2 ARG 37 1HH2 ARG 37 -1.823 10.958 0.169 294 2HH2 ARG 37 2HH2 ARG 37 -2.551 9.412 0.453 295 H ILE 38 H ILE 38 2.847 5.622 2.375 296 HA ILE 38 HA ILE 38 4.745 4.083 0.744 297 HB ILE 38 HB ILE 38 3.164 3.127 3.133 298 1HG1 ILE 38 1HG1 ILE 38 6.004 2.876 3.436 299 2HG1 ILE 38 2HG1 ILE 38 5.639 4.536 3.009 300 1HG2 ILE 38 1HG2 ILE 38 4.967 1.733 1.164 301 2HG2 ILE 38 2HG2 ILE 38 4.741 1.116 2.818 302 3HG2 ILE 38 3HG2 ILE 38 3.342 1.275 1.728 303 1HD1 ILE 38 1HD1 ILE 38 5.563 4.143 5.481 304 2HD1 ILE 38 2HD1 ILE 38 4.000 4.703 4.838 305 3HD1 ILE 38 3HD1 ILE 38 4.236 2.983 5.232 306 H LEU 39 H LEU 39 3.902 3.143 -1.050 307 HA LEU 39 HA LEU 39 1.002 2.762 -1.110 308 1HB LEU 39 1HB LEU 39 2.629 4.070 -3.293 309 2HB LEU 39 2HB LEU 39 0.936 3.633 -3.399 310 HG LEU 39 HG LEU 39 0.467 5.214 -1.505 311 1HD1 LEU 39 1HD1 LEU 39 2.626 6.970 -1.632 312 2HD1 LEU 39 2HD1 LEU 39 2.182 5.908 -0.274 313 3HD1 LEU 39 3HD1 LEU 39 3.368 5.359 -1.483 314 1HD2 LEU 39 1HD2 LEU 39 1.584 6.176 -4.134 315 2HD2 LEU 39 2HD2 LEU 39 -0.113 6.009 -3.623 316 3HD2 LEU 39 3HD2 LEU 39 0.899 7.304 -2.939 317 H THR 40 H THR 40 0.487 0.715 -1.672 318 HA THR 40 HA THR 40 2.627 -0.895 -2.876 319 HB THR 40 HB THR 40 0.075 -1.953 -1.611 320 HG1 THR 40 HG1 THR 40 1.348 -1.755 0.415 321 1HG2 THR 40 1HG2 THR 40 2.642 -3.132 -0.833 322 2HG2 THR 40 2HG2 THR 40 1.239 -3.922 -1.593 323 3HG2 THR 40 3HG2 THR 40 2.469 -3.126 -2.604 324 H ARG 41 H ARG 41 2.383 -1.999 -4.786 325 HA ARG 41 HA ARG 41 -0.207 -1.807 -6.040 326 1HB ARG 41 1HB ARG 41 2.385 -0.664 -7.159 327 2HB ARG 41 2HB ARG 41 1.093 -1.160 -8.235 328 1HG ARG 41 1HG ARG 41 0.169 0.889 -7.911 329 2HG ARG 41 2HG ARG 41 -0.245 0.363 -6.292 330 1HD ARG 41 1HD ARG 41 0.997 2.455 -6.112 331 2HD ARG 41 2HD ARG 41 2.011 1.170 -5.486 332 HE ARG 41 HE ARG 41 2.731 1.270 -8.153 333 1HH1 ARG 41 1HH1 ARG 41 2.521 3.691 -5.608 334 2HH1 ARG 41 2HH1 ARG 41 3.783 4.678 -6.267 335 1HH2 ARG 41 1HH2 ARG 41 4.396 2.571 -9.023 336 2HH2 ARG 41 2HH2 ARG 41 4.857 4.036 -8.222 337 H ASN 42 H ASN 42 -0.397 -3.332 -7.934 338 HA ASN 42 HA ASN 42 1.150 -5.672 -7.383 339 1HB ASN 42 1HB ASN 42 -1.047 -5.182 -9.463 340 2HB ASN 42 2HB ASN 42 -0.406 -6.753 -9.024 341 1HD2 ASN 42 1HD2 ASN 42 -0.697 -7.537 -6.878 342 2HD2 ASN 42 2HD2 ASN 42 -2.047 -7.039 -5.914 343 H VAL 43 H VAL 43 3.029 -6.143 -8.535 344 HA VAL 43 HA VAL 43 3.188 -5.202 -11.300 345 HB VAL 43 HB VAL 43 4.363 -3.528 -10.128 346 1HG1 VAL 43 1HG1 VAL 43 5.086 -3.886 -8.048 347 2HG1 VAL 43 2HG1 VAL 43 4.941 -5.647 -8.256 348 3HG1 VAL 43 3HG1 VAL 43 6.446 -4.817 -8.719 349 1HG2 VAL 43 1HG2 VAL 43 6.511 -3.654 -11.084 350 2HG2 VAL 43 2HG2 VAL 43 6.580 -5.425 -10.918 351 3HG2 VAL 43 3HG2 VAL 43 5.498 -4.686 -12.122 352 H MET 44 H MET 44 3.979 -6.737 -12.692 353 HA MET 44 HA MET 44 4.540 -9.288 -11.500 354 1HB MET 44 1HB MET 44 3.123 -8.578 -13.703 355 2HB MET 44 2HB MET 44 4.686 -8.746 -14.479 356 1HG MET 44 1HG MET 44 4.677 -11.063 -13.039 357 2HG MET 44 2HG MET 44 2.948 -10.853 -13.228 358 1HE MET 44 1HE MET 44 1.748 -11.773 -14.987 359 2HE MET 44 2HE MET 44 1.906 -10.217 -15.836 360 3HE MET 44 3HE MET 44 2.172 -11.741 -16.715 361 H GLY 45 H GLY 45 6.558 -10.164 -11.235 362 1HA GLY 45 1HA GLY 45 8.696 -10.407 -12.625 363 2HA GLY 45 2HA GLY 45 8.818 -8.673 -12.400 364 HA PRO 46 HA PRO 46 10.401 -11.024 -8.686 365 1HB PRO 46 1HB PRO 46 13.040 -11.424 -9.273 366 2HB PRO 46 2HB PRO 46 11.817 -12.664 -9.467 367 1HG PRO 46 1HG PRO 46 13.159 -11.045 -11.544 368 2HG PRO 46 2HG PRO 46 12.274 -12.547 -11.724 369 1HD PRO 46 1HD PRO 46 11.343 -9.916 -12.387 370 2HD PRO 46 2HD PRO 46 10.420 -11.403 -12.458 371 H ILE 47 H ILE 47 9.828 -8.995 -7.783 372 HA ILE 47 HA ILE 47 12.235 -7.334 -7.533 373 HB ILE 47 HB ILE 47 10.668 -6.288 -9.076 374 1HG1 ILE 47 1HG1 ILE 47 12.084 -5.021 -7.324 375 2HG1 ILE 47 2HG1 ILE 47 10.838 -4.151 -8.196 376 1HG2 ILE 47 1HG2 ILE 47 8.710 -7.160 -7.124 377 2HG2 ILE 47 2HG2 ILE 47 8.551 -5.422 -7.472 378 3HG2 ILE 47 3HG2 ILE 47 8.486 -6.605 -8.800 379 1HD1 ILE 47 1HD1 ILE 47 9.656 -3.738 -6.298 380 2HD1 ILE 47 2HD1 ILE 47 9.780 -5.431 -5.763 381 3HD1 ILE 47 3HD1 ILE 47 11.101 -4.289 -5.416 382 H ARG 48 H ARG 48 12.904 -7.101 -5.466 383 HA ARG 48 HA ARG 48 10.867 -7.497 -3.428 384 1HB ARG 48 1HB ARG 48 12.635 -8.624 -2.024 385 2HB ARG 48 2HB ARG 48 12.250 -9.520 -3.479 386 1HG ARG 48 1HG ARG 48 14.545 -7.524 -3.429 387 2HG ARG 48 2HG ARG 48 14.769 -9.171 -2.875 388 1HD ARG 48 1HD ARG 48 14.868 -9.960 -5.009 389 2HD ARG 48 2HD ARG 48 13.366 -9.167 -5.440 390 HE ARG 48 HE ARG 48 15.335 -7.136 -5.294 391 1HH1 ARG 48 1HH1 ARG 48 14.682 -10.009 -7.218 392 2HH1 ARG 48 2HH1 ARG 48 15.480 -9.402 -8.630 393 1HH2 ARG 48 1HH2 ARG 48 16.388 -6.333 -7.157 394 2HH2 ARG 48 2HH2 ARG 48 16.457 -7.297 -8.595 395 H GLU 49 H GLU 49 11.412 -6.411 -1.307 396 HA GLU 49 HA GLU 49 11.830 -3.864 -1.389 397 1HB GLU 49 1HB GLU 49 13.224 -4.282 0.903 398 2HB GLU 49 2HB GLU 49 11.488 -4.491 0.787 399 1HG GLU 49 1HG GLU 49 11.620 -6.767 1.005 400 2HG GLU 49 2HG GLU 49 12.990 -6.890 -0.081 401 H GLY 50 H GLY 50 13.423 -2.312 -1.729 402 1HA GLY 50 1HA GLY 50 15.796 -1.775 -1.513 403 2HA GLY 50 2HA GLY 50 16.156 -3.341 -2.213 404 H ASP 51 H ASP 51 13.649 -2.969 -4.043 405 HA ASP 51 HA ASP 51 15.116 -1.917 -6.192 406 1HB ASP 51 1HB ASP 51 12.887 -3.546 -5.881 407 2HB ASP 51 2HB ASP 51 12.157 -2.067 -6.473 408 H ILE 52 H ILE 52 13.989 -0.130 -7.668 409 HA ILE 52 HA ILE 52 13.234 2.066 -5.888 410 HB ILE 52 HB ILE 52 14.117 2.288 -8.755 411 1HG1 ILE 52 1HG1 ILE 52 15.874 2.157 -6.287 412 2HG1 ILE 52 2HG1 ILE 52 15.843 1.010 -7.611 413 1HG2 ILE 52 1HG2 ILE 52 13.808 4.168 -6.431 414 2HG2 ILE 52 2HG2 ILE 52 14.962 4.526 -7.738 415 3HG2 ILE 52 3HG2 ILE 52 13.232 4.326 -8.108 416 1HD1 ILE 52 1HD1 ILE 52 16.984 3.786 -7.522 417 2HD1 ILE 52 2HD1 ILE 52 17.615 2.323 -8.317 418 3HD1 ILE 52 3HD1 ILE 52 16.286 3.240 -9.066 419 H LEU 53 H LEU 53 11.362 3.315 -6.269 420 HA LEU 53 HA LEU 53 9.611 2.352 -8.396 421 1HB LEU 53 1HB LEU 53 8.343 2.847 -5.764 422 2HB LEU 53 2HB LEU 53 7.879 1.763 -7.060 423 HG LEU 53 HG LEU 53 8.509 0.505 -5.091 424 1HD1 LEU 53 1HD1 LEU 53 10.880 -0.261 -6.549 425 2HD1 LEU 53 2HD1 LEU 53 9.321 -1.104 -6.385 426 3HD1 LEU 53 3HD1 LEU 53 9.546 0.108 -7.669 427 1HD2 LEU 53 1HD2 LEU 53 11.373 1.065 -5.102 428 2HD2 LEU 53 2HD2 LEU 53 10.394 2.487 -4.670 429 3HD2 LEU 53 3HD2 LEU 53 10.222 0.975 -3.746 430 H MET 54 H MET 54 7.760 3.910 -8.769 431 HA MET 54 HA MET 54 8.698 6.595 -8.108 432 1HB MET 54 1HB MET 54 7.174 5.541 -10.556 433 2HB MET 54 2HB MET 54 7.516 7.239 -10.285 434 1HG MET 54 1HG MET 54 9.944 5.592 -10.017 435 2HG MET 54 2HG MET 54 9.193 5.382 -11.587 436 1HE MET 54 1HE MET 54 11.264 7.052 -9.386 437 2HE MET 54 2HE MET 54 11.919 8.447 -10.277 438 3HE MET 54 3HE MET 54 10.525 8.659 -9.191 439 H LEU 55 H LEU 55 7.338 7.846 -6.893 440 HA LEU 55 HA LEU 55 4.606 6.851 -6.562 441 1HB LEU 55 1HB LEU 55 6.024 8.869 -4.835 442 2HB LEU 55 2HB LEU 55 4.578 7.949 -4.470 443 HG LEU 55 HG LEU 55 6.290 6.976 -3.189 444 1HD1 LEU 55 1HD1 LEU 55 6.315 5.113 -5.550 445 2HD1 LEU 55 2HD1 LEU 55 6.220 4.741 -3.812 446 3HD1 LEU 55 3HD1 LEU 55 4.812 5.433 -4.652 447 1HD2 LEU 55 1HD2 LEU 55 8.209 6.198 -5.237 448 2HD2 LEU 55 2HD2 LEU 55 8.024 7.964 -5.120 449 3HD2 LEU 55 3HD2 LEU 55 8.462 7.017 -3.677 450 H LEU 56 H LEU 56 3.162 7.771 -7.917 451 HA LEU 56 HA LEU 56 3.613 10.581 -8.620 452 1HB LEU 56 1HB LEU 56 3.597 8.979 -10.472 453 2HB LEU 56 2HB LEU 56 1.994 8.441 -10.010 454 HG LEU 56 HG LEU 56 2.022 9.985 -11.952 455 1HD1 LEU 56 1HD1 LEU 56 -0.058 10.528 -11.402 456 2HD1 LEU 56 2HD1 LEU 56 0.286 9.965 -9.749 457 3HD1 LEU 56 3HD1 LEU 56 0.508 11.680 -10.168 458 1HD2 LEU 56 1HD2 LEU 56 2.703 12.196 -11.866 459 2HD2 LEU 56 2HD2 LEU 56 2.628 12.264 -10.089 460 3HD2 LEU 56 3HD2 LEU 56 3.945 11.374 -10.891 461 H ASP 57 H ASP 57 2.044 12.137 -8.209 462 HA ASP 57 HA ASP 57 0.447 11.747 -6.035 463 1HB ASP 57 1HB ASP 57 1.087 13.854 -7.811 464 2HB ASP 57 2HB ASP 57 -0.659 13.736 -7.898 465 H THR 58 H THR 58 -1.529 10.680 -5.801 466 HA THR 58 HA THR 58 -2.908 9.852 -8.236 467 HB THR 58 HB THR 58 -2.242 8.227 -6.389 468 HG1 THR 58 HG1 THR 58 -5.047 8.852 -6.982 469 1HG2 THR 58 1HG2 THR 58 -3.815 8.186 -4.410 470 2HG2 THR 58 2HG2 THR 58 -2.723 9.591 -4.381 471 3HG2 THR 58 3HG2 THR 58 -4.415 9.790 -4.897 472 H ILE 59 H ILE 59 -4.905 10.517 -8.869 473 HA ILE 59 HA ILE 59 -5.937 12.809 -7.406 474 HB ILE 59 HB ILE 59 -6.491 11.692 -10.153 475 1HG1 ILE 59 1HG1 ILE 59 -5.596 14.244 -10.481 476 2HG1 ILE 59 2HG1 ILE 59 -4.697 13.775 -9.052 477 1HG2 ILE 59 1HG2 ILE 59 -8.381 12.842 -10.266 478 2HG2 ILE 59 2HG2 ILE 59 -8.218 13.255 -8.542 479 3HG2 ILE 59 3HG2 ILE 59 -7.538 14.334 -9.784 480 1HD1 ILE 59 1HD1 ILE 59 -3.641 11.949 -10.155 481 2HD1 ILE 59 2HD1 ILE 59 -4.841 11.940 -11.470 482 3HD1 ILE 59 3HD1 ILE 59 -3.640 13.251 -11.369 483 H ARG 60 H ARG 60 -7.637 12.664 -6.043 484 HA ARG 60 HA ARG 60 -8.796 10.164 -5.594 485 1HB ARG 60 1HB ARG 60 -10.235 11.396 -3.968 486 2HB ARG 60 2HB ARG 60 -8.553 11.858 -3.805 487 1HG ARG 60 1HG ARG 60 -10.220 13.475 -5.715 488 2HG ARG 60 2HG ARG 60 -10.560 13.676 -4.007 489 1HD ARG 60 1HD ARG 60 -7.781 13.767 -4.036 490 2HD ARG 60 2HD ARG 60 -8.174 14.520 -5.569 491 HE ARG 60 HE ARG 60 -9.880 15.605 -3.527 492 1HH1 ARG 60 1HH1 ARG 60 -6.530 15.679 -4.604 493 2HH1 ARG 60 2HH1 ARG 60 -6.225 17.259 -3.964 494 1HH2 ARG 60 1HH2 ARG 60 -9.478 17.690 -2.683 495 2HH2 ARG 60 2HH2 ARG 60 -7.913 18.411 -2.863 496 H GLU 61 H GLU 61 -11.077 9.532 -5.877 497 HA GLU 61 HA GLU 61 -12.230 10.889 -8.175 498 1HB GLU 61 1HB GLU 61 -13.441 8.789 -8.596 499 2HB GLU 61 2HB GLU 61 -11.721 8.483 -8.464 500 1HG GLU 61 1HG GLU 61 -12.751 8.286 -5.808 501 2HG GLU 61 2HG GLU 61 -13.896 7.438 -6.828 502 H ALA 62 H ALA 62 -14.490 11.463 -8.197 503 HA ALA 62 HA ALA 62 -15.453 12.257 -5.638 504 1HB ALA 62 1HB ALA 62 -17.395 12.400 -7.805 505 2HB ALA 62 2HB ALA 62 -16.601 13.717 -6.908 506 3HB ALA 62 3HB ALA 62 -15.805 13.002 -8.331 507 H LYS 63 H LYS 63 -17.156 11.411 -4.419 508 HA LYS 63 HA LYS 63 -17.827 8.668 -5.083 509 1HB LYS 63 1HB LYS 63 -18.607 8.516 -2.802 510 2HB LYS 63 2HB LYS 63 -17.006 9.228 -2.829 511 1HG LYS 63 1HG LYS 63 -17.745 11.196 -1.943 512 2HG LYS 63 2HG LYS 63 -19.104 11.282 -3.046 513 1HD LYS 63 1HD LYS 63 -19.193 9.261 -0.800 514 2HD LYS 63 2HD LYS 63 -19.483 10.947 -0.420 515 1HE LYS 63 1HE LYS 63 -21.395 11.066 -1.871 516 2HE LYS 63 2HE LYS 63 -20.965 9.585 -2.702 517 1HZ LYS 63 1HZ LYS 63 -21.247 9.129 0.058 518 2HZ LYS 63 2HZ LYS 63 -22.600 9.821 -0.538 519 3HZ LYS 63 3HZ LYS 63 -22.041 8.430 -1.186 520 H GLU 64 H GLU 64 -19.871 7.931 -5.622 521 HA GLU 64 HA GLU 64 -21.766 10.071 -6.163 522 1HB GLU 64 1HB GLU 64 -22.745 8.579 -7.843 523 2HB GLU 64 2HB GLU 64 -21.020 8.723 -8.117 524 1HG GLU 64 1HG GLU 64 -21.807 6.500 -6.290 525 2HG GLU 64 2HG GLU 64 -22.377 6.327 -7.938 526 H ILE 65 H ILE 65 -24.033 9.784 -5.606 527 HA ILE 65 HA ILE 65 -24.335 8.020 -3.302 528 HB ILE 65 HB ILE 65 -26.429 9.415 -2.978 529 1HG1 ILE 65 1HG1 ILE 65 -25.213 11.562 -4.636 530 2HG1 ILE 65 2HG1 ILE 65 -26.028 10.279 -5.509 531 1HG2 ILE 65 1HG2 ILE 65 -24.062 11.223 -2.849 532 2HG2 ILE 65 2HG2 ILE 65 -25.279 10.827 -1.612 533 3HG2 ILE 65 3HG2 ILE 65 -23.977 9.671 -1.980 534 1HD1 ILE 65 1HD1 ILE 65 -27.517 11.252 -3.127 535 2HD1 ILE 65 2HD1 ILE 65 -27.298 12.463 -4.413 536 3HD1 ILE 65 3HD1 ILE 65 -28.100 10.916 -4.775 537 H ARG 66 H ARG 66 -25.739 6.298 -3.266 538 HA ARG 66 HA ARG 66 -27.067 5.811 -5.804 539 1HB ARG 66 1HB ARG 66 -25.361 4.117 -5.047 540 2HB ARG 66 2HB ARG 66 -26.301 3.834 -3.595 541 1HG ARG 66 1HG ARG 66 -27.885 3.615 -6.099 542 2HG ARG 66 2HG ARG 66 -26.587 2.442 -5.985 543 1HD ARG 66 1HD ARG 66 -28.322 2.858 -3.549 544 2HD ARG 66 2HD ARG 66 -29.009 1.978 -4.900 545 HE ARG 66 HE ARG 66 -26.544 0.772 -4.586 546 1HH1 ARG 66 1HH1 ARG 66 -29.194 1.464 -2.376 547 2HH1 ARG 66 2HH1 ARG 66 -28.866 0.104 -1.354 548 1HH2 ARG 66 1HH2 ARG 66 -26.111 -1.022 -3.238 549 2HH2 ARG 66 2HH2 ARG 66 -27.100 -1.319 -1.847 550 H THR 67 H THR 67 -29.314 5.671 -5.853 551 HA THR 67 HA THR 67 -30.668 5.799 -3.243 552 HB THR 67 HB THR 67 -32.498 6.883 -4.650 553 HG1 THR 67 HG1 THR 67 -31.696 5.871 -6.664 554 1HG2 THR 67 1HG2 THR 67 -30.218 8.101 -3.681 555 2HG2 THR 67 2HG2 THR 67 -30.073 8.453 -5.419 556 3HG2 THR 67 3HG2 THR 67 -31.519 8.976 -4.523 557 HA PRO 68 HA PRO 68 -32.479 1.990 -4.043 558 1HB PRO 68 1HB PRO 68 -34.627 2.090 -2.356 559 2HB PRO 68 2HB PRO 68 -33.004 1.703 -1.819 560 1HG PRO 68 1HG PRO 68 -34.524 4.214 -1.464 561 2HG PRO 68 2HG PRO 68 -33.108 3.655 -0.595 562 1HD PRO 68 1HD PRO 68 -33.181 5.650 -2.655 563 2HD PRO 68 2HD PRO 68 -31.753 5.008 -1.867 Start of MODEL 6 1 HA MET 1 HA MET 1 10.917 11.540 -11.693 2 1HB MET 1 1HB MET 1 10.808 13.863 -13.662 3 2HB MET 1 2HB MET 1 11.881 13.961 -12.280 4 1HG MET 1 1HG MET 1 13.161 12.059 -12.985 5 2HG MET 1 2HG MET 1 11.914 11.516 -14.090 6 1HE MET 1 1HE MET 1 12.010 13.359 -17.086 7 2HE MET 1 2HE MET 1 10.928 12.929 -15.739 8 3HE MET 1 3HE MET 1 11.406 14.625 -15.990 9 H ASP 2 H ASP 2 8.820 14.423 -12.432 10 HA ASP 2 HA ASP 2 8.975 15.186 -9.675 11 1HB ASP 2 1HB ASP 2 7.502 16.346 -12.084 12 2HB ASP 2 2HB ASP 2 7.417 17.056 -10.484 13 H ASP 3 H ASP 3 6.736 13.706 -12.047 14 HA ASP 3 HA ASP 3 4.401 14.002 -10.591 15 1HB ASP 3 1HB ASP 3 5.347 12.543 -12.941 16 2HB ASP 3 2HB ASP 3 4.261 11.532 -12.008 17 H ALA 4 H ALA 4 6.807 11.286 -10.879 18 HA ALA 4 HA ALA 4 5.592 10.067 -8.500 19 1HB ALA 4 1HB ALA 4 7.012 9.015 -10.936 20 2HB ALA 4 2HB ALA 4 7.113 8.098 -9.414 21 3HB ALA 4 3HB ALA 4 5.526 8.433 -10.148 22 H THR 5 H THR 5 6.912 9.513 -6.714 23 HA THR 5 HA THR 5 9.458 10.969 -6.680 24 HB THR 5 HB THR 5 7.208 10.676 -4.884 25 HG1 THR 5 HG1 THR 5 8.237 12.572 -4.326 26 1HG2 THR 5 1HG2 THR 5 9.911 9.955 -3.645 27 2HG2 THR 5 2HG2 THR 5 8.348 10.108 -2.808 28 3HG2 THR 5 3HG2 THR 5 8.628 8.754 -3.929 29 HA PRO 6 HA PRO 6 11.667 7.285 -6.640 30 1HB PRO 6 1HB PRO 6 14.077 8.187 -5.720 31 2HB PRO 6 2HB PRO 6 13.567 8.348 -7.389 32 1HG PRO 6 1HG PRO 6 13.696 10.418 -5.281 33 2HG PRO 6 2HG PRO 6 13.605 10.625 -7.019 34 1HD PRO 6 1HD PRO 6 11.467 10.961 -5.137 35 2HD PRO 6 2HD PRO 6 11.351 11.054 -6.884 36 H ALA 7 H ALA 7 11.150 5.618 -5.379 37 HA ALA 7 HA ALA 7 11.946 5.952 -2.576 38 1HB ALA 7 1HB ALA 7 9.557 4.301 -2.954 39 2HB ALA 7 2HB ALA 7 9.841 5.650 -1.828 40 3HB ALA 7 3HB ALA 7 9.307 5.979 -3.494 41 H GLU 8 H GLU 8 12.381 3.877 -1.480 42 HA GLU 8 HA GLU 8 13.117 1.858 -3.453 43 1HB GLU 8 1HB GLU 8 14.458 2.752 -0.883 44 2HB GLU 8 2HB GLU 8 14.793 1.172 -1.561 45 1HG GLU 8 1HG GLU 8 14.988 2.891 -3.780 46 2HG GLU 8 2HG GLU 8 15.691 3.827 -2.476 47 H VAL 9 H VAL 9 12.343 -0.230 -3.189 48 HA VAL 9 HA VAL 9 10.132 -0.698 -1.645 49 HB VAL 9 HB VAL 9 12.167 -2.757 -2.510 50 1HG1 VAL 9 1HG1 VAL 9 10.546 -4.344 -2.273 51 2HG1 VAL 9 2HG1 VAL 9 9.967 -3.199 -1.039 52 3HG1 VAL 9 3HG1 VAL 9 9.224 -3.215 -2.657 53 1HG2 VAL 9 1HG2 VAL 9 10.599 -0.902 -4.110 54 2HG2 VAL 9 2HG2 VAL 9 11.863 -2.052 -4.609 55 3HG2 VAL 9 3HG2 VAL 9 10.173 -2.593 -4.468 56 H ILE 10 H ILE 10 9.723 -1.290 0.453 57 HA ILE 10 HA ILE 10 12.101 -1.753 2.117 58 HB ILE 10 HB ILE 10 10.916 -0.679 3.938 59 1HG1 ILE 10 1HG1 ILE 10 8.751 0.180 2.020 60 2HG1 ILE 10 2HG1 ILE 10 8.607 -1.300 2.949 61 1HG2 ILE 10 1HG2 ILE 10 11.489 1.440 3.336 62 2HG2 ILE 10 2HG2 ILE 10 12.256 0.553 1.998 63 3HG2 ILE 10 3HG2 ILE 10 10.677 1.337 1.755 64 1HD1 ILE 10 1HD1 ILE 10 8.621 -0.152 5.032 65 2HD1 ILE 10 2HD1 ILE 10 9.316 1.321 4.312 66 3HD1 ILE 10 3HD1 ILE 10 7.624 0.880 3.978 67 H GLU 11 H GLU 11 8.727 -2.630 1.311 68 HA GLU 11 HA GLU 11 9.224 -5.123 2.721 69 1HB GLU 11 1HB GLU 11 7.729 -4.337 4.275 70 2HB GLU 11 2HB GLU 11 7.029 -3.166 3.175 71 1HG GLU 11 1HG GLU 11 5.317 -4.811 3.600 72 2HG GLU 11 2HG GLU 11 5.881 -5.094 1.965 73 H VAL 12 H VAL 12 8.099 -6.991 1.812 74 HA VAL 12 HA VAL 12 7.053 -6.459 -0.883 75 HB VAL 12 HB VAL 12 8.734 -8.795 0.048 76 1HG1 VAL 12 1HG1 VAL 12 8.834 -9.034 -2.585 77 2HG1 VAL 12 2HG1 VAL 12 7.487 -9.726 -1.649 78 3HG1 VAL 12 3HG1 VAL 12 7.277 -8.175 -2.498 79 1HG2 VAL 12 1HG2 VAL 12 9.408 -6.273 -1.463 80 2HG2 VAL 12 2HG2 VAL 12 10.253 -7.025 -0.088 81 3HG2 VAL 12 3HG2 VAL 12 10.348 -7.765 -1.705 82 H LEU 13 H LEU 13 5.106 -7.412 -1.402 83 HA LEU 13 HA LEU 13 3.915 -9.016 0.747 84 1HB LEU 13 1HB LEU 13 2.313 -7.672 -1.387 85 2HB LEU 13 2HB LEU 13 1.857 -8.114 0.246 86 HG LEU 13 HG LEU 13 3.964 -6.174 0.396 87 1HD1 LEU 13 1HD1 LEU 13 3.031 -5.706 -1.973 88 2HD1 LEU 13 2HD1 LEU 13 1.618 -5.049 -1.113 89 3HD1 LEU 13 3HD1 LEU 13 3.231 -4.350 -0.838 90 1HD2 LEU 13 1HD2 LEU 13 1.342 -5.161 1.080 91 2HD2 LEU 13 2HD2 LEU 13 1.562 -6.821 1.683 92 3HD2 LEU 13 3HD2 LEU 13 2.725 -5.550 2.130 93 H LYS 14 H LYS 14 4.002 -11.158 0.349 94 HA LYS 14 HA LYS 14 3.360 -12.007 -2.378 95 1HB LYS 14 1HB LYS 14 5.933 -12.105 -1.343 96 2HB LYS 14 2HB LYS 14 5.326 -13.722 -1.045 97 1HG LYS 14 1HG LYS 14 6.234 -13.839 -3.242 98 2HG LYS 14 2HG LYS 14 4.506 -13.715 -3.501 99 1HD LYS 14 1HD LYS 14 4.979 -11.956 -4.865 100 2HD LYS 14 2HD LYS 14 5.268 -11.038 -3.401 101 1HE LYS 14 1HE LYS 14 7.252 -10.736 -4.693 102 2HE LYS 14 2HE LYS 14 7.697 -11.923 -3.482 103 1HZ LYS 14 1HZ LYS 14 8.290 -12.440 -5.840 104 2HZ LYS 14 2HZ LYS 14 7.513 -13.630 -5.035 105 3HZ LYS 14 3HZ LYS 14 6.706 -12.717 -6.122 106 H ARG 15 H ARG 15 1.925 -13.705 -2.491 107 HA ARG 15 HA ARG 15 1.311 -14.952 0.064 108 1HB ARG 15 1HB ARG 15 -0.381 -13.162 -1.056 109 2HB ARG 15 2HB ARG 15 -0.879 -14.566 -1.979 110 1HG ARG 15 1HG ARG 15 -1.635 -15.732 -0.066 111 2HG ARG 15 2HG ARG 15 -0.617 -14.815 1.026 112 1HD ARG 15 1HD ARG 15 -2.151 -12.774 0.080 113 2HD ARG 15 2HD ARG 15 -3.288 -14.088 -0.145 114 HE ARG 15 HE ARG 15 -3.616 -14.079 2.158 115 1HH1 ARG 15 1HH1 ARG 15 -0.367 -12.896 1.502 116 2HH1 ARG 15 2HH1 ARG 15 0.000 -12.600 3.168 117 1HH2 ARG 15 1HH2 ARG 15 -3.132 -13.690 4.357 118 2HH2 ARG 15 2HH2 ARG 15 -1.583 -13.055 4.804 119 H THR 16 H THR 16 1.864 -17.101 -0.126 120 HA THR 16 HA THR 16 2.407 -18.386 -2.514 121 HB THR 16 HB THR 16 3.142 -19.069 -0.203 122 HG1 THR 16 HG1 THR 16 2.980 -20.560 -2.104 123 1HG2 THR 16 1HG2 THR 16 1.569 -20.488 1.124 124 2HG2 THR 16 2HG2 THR 16 0.965 -18.818 1.005 125 3HG2 THR 16 3HG2 THR 16 0.260 -20.095 -0.015 126 H GLY 17 H GLY 17 1.313 -19.706 -3.937 127 1HA GLY 17 1HA GLY 17 -1.022 -20.964 -3.799 128 2HA GLY 17 2HA GLY 17 -1.573 -19.308 -3.965 129 H MET 18 H MET 18 1.020 -21.417 -5.418 130 HA MET 18 HA MET 18 1.686 -21.692 -7.470 131 1HB MET 18 1HB MET 18 -1.049 -22.122 -7.481 132 2HB MET 18 2HB MET 18 -0.925 -20.892 -8.723 133 1HG MET 18 1HG MET 18 1.015 -22.376 -9.700 134 2HG MET 18 2HG MET 18 0.374 -23.641 -8.670 135 1HE MET 18 1HE MET 18 -1.451 -25.394 -10.070 136 2HE MET 18 2HE MET 18 -1.772 -24.471 -8.583 137 3HE MET 18 3HE MET 18 -2.982 -24.506 -9.887 138 H THR 19 H THR 19 2.671 -19.381 -6.732 139 HA THR 19 HA THR 19 3.175 -17.254 -7.246 140 HB THR 19 HB THR 19 3.898 -17.064 -9.634 141 HG1 THR 19 HG1 THR 19 3.115 -18.754 -11.051 142 1HG2 THR 19 1HG2 THR 19 4.440 -19.938 -9.398 143 2HG2 THR 19 2HG2 THR 19 5.584 -18.577 -9.316 144 3HG2 THR 19 3HG2 THR 19 4.728 -19.110 -7.849 145 H GLY 20 H GLY 20 2.583 -15.568 -9.423 146 1HA GLY 20 1HA GLY 20 -0.298 -15.410 -9.671 147 2HA GLY 20 2HA GLY 20 0.412 -14.193 -8.628 148 H GLU 21 H GLU 21 -0.899 -14.082 -11.408 149 HA GLU 21 HA GLU 21 0.795 -13.703 -13.428 150 1HB GLU 21 1HB GLU 21 -1.820 -13.268 -13.127 151 2HB GLU 21 2HB GLU 21 -1.318 -11.596 -12.974 152 1HG GLU 21 1HG GLU 21 -1.869 -12.231 -15.340 153 2HG GLU 21 2HG GLU 21 -0.227 -11.646 -15.162 154 H VAL 22 H VAL 22 -0.159 -11.085 -11.080 155 HA VAL 22 HA VAL 22 2.406 -9.800 -11.721 156 HB VAL 22 HB VAL 22 -0.331 -8.652 -11.211 157 1HG1 VAL 22 1HG1 VAL 22 2.332 -7.195 -11.113 158 2HG1 VAL 22 2HG1 VAL 22 0.737 -6.408 -11.179 159 3HG1 VAL 22 3HG1 VAL 22 1.178 -7.407 -9.774 160 1HG2 VAL 22 1HG2 VAL 22 0.033 -9.102 -13.516 161 2HG2 VAL 22 2HG2 VAL 22 0.293 -7.353 -13.306 162 3HG2 VAL 22 3HG2 VAL 22 1.688 -8.449 -13.460 163 H MET 23 H MET 23 3.620 -8.963 -9.971 164 HA MET 23 HA MET 23 2.697 -9.991 -7.405 165 1HB MET 23 1HB MET 23 4.808 -10.998 -8.018 166 2HB MET 23 2HB MET 23 5.445 -9.487 -8.636 167 1HG MET 23 1HG MET 23 4.711 -9.168 -5.828 168 2HG MET 23 2HG MET 23 5.767 -10.555 -6.009 169 1HE MET 23 1HE MET 23 8.330 -9.795 -8.051 170 2HE MET 23 2HE MET 23 9.050 -9.425 -6.466 171 3HE MET 23 3HE MET 23 7.824 -10.707 -6.609 172 H GLN 24 H GLN 24 2.572 -8.634 -5.594 173 HA GLN 24 HA GLN 24 2.958 -5.822 -6.225 174 1HB GLN 24 1HB GLN 24 1.262 -5.316 -4.633 175 2HB GLN 24 2HB GLN 24 0.665 -6.721 -5.495 176 1HG GLN 24 1HG GLN 24 2.193 -7.805 -3.378 177 2HG GLN 24 2HG GLN 24 1.364 -6.442 -2.654 178 1HE2 GLN 24 1HE2 GLN 24 -0.467 -6.945 -1.753 179 2HE2 GLN 24 2HE2 GLN 24 -1.613 -8.134 -2.276 180 H VAL 25 H VAL 25 4.166 -4.449 -4.822 181 HA VAL 25 HA VAL 25 5.553 -5.818 -2.635 182 HB VAL 25 HB VAL 25 6.834 -5.603 -4.888 183 1HG1 VAL 25 1HG1 VAL 25 6.242 -3.198 -5.211 184 2HG1 VAL 25 2HG1 VAL 25 7.252 -2.800 -3.801 185 3HG1 VAL 25 3HG1 VAL 25 7.993 -3.516 -5.253 186 1HG2 VAL 25 1HG2 VAL 25 8.017 -6.411 -3.033 187 2HG2 VAL 25 2HG2 VAL 25 8.957 -4.990 -3.548 188 3HG2 VAL 25 3HG2 VAL 25 7.866 -4.875 -2.146 189 H LYS 26 H LYS 26 6.422 -4.289 -0.999 190 HA LYS 26 HA LYS 26 4.756 -1.873 -0.943 191 1HB LYS 26 1HB LYS 26 4.544 -3.797 0.813 192 2HB LYS 26 2HB LYS 26 6.019 -3.130 1.483 193 1HG LYS 26 1HG LYS 26 4.689 -0.812 1.257 194 2HG LYS 26 2HG LYS 26 3.285 -1.862 1.277 195 1HD LYS 26 1HD LYS 26 5.397 -2.353 3.365 196 2HD LYS 26 2HD LYS 26 4.415 -0.913 3.546 197 1HE LYS 26 1HE LYS 26 2.542 -2.917 2.900 198 2HE LYS 26 2HE LYS 26 3.677 -3.738 3.952 199 1HZ LYS 26 1HZ LYS 26 1.702 -2.224 4.824 200 2HZ LYS 26 2HZ LYS 26 3.069 -2.485 5.679 201 3HZ LYS 26 3HZ LYS 26 2.897 -1.112 4.811 202 H CYS 27 H CYS 27 5.741 0.070 -1.110 203 HA CYS 27 HA CYS 27 8.593 0.143 -0.457 204 1HB CYS 27 1HB CYS 27 9.097 1.471 -2.369 205 2HB CYS 27 2HB CYS 27 8.212 0.072 -2.943 206 HG CYS 27 HG CYS 27 5.889 1.775 -2.238 207 H ARG 28 H ARG 28 9.284 2.172 0.488 208 HA ARG 28 HA ARG 28 7.019 3.794 1.330 209 1HB ARG 28 1HB ARG 28 8.195 2.617 3.189 210 2HB ARG 28 2HB ARG 28 9.717 3.336 2.702 211 1HG ARG 28 1HG ARG 28 7.799 5.471 2.995 212 2HG ARG 28 2HG ARG 28 7.676 4.451 4.415 213 1HD ARG 28 1HD ARG 28 10.484 4.936 3.626 214 2HD ARG 28 2HD ARG 28 9.623 6.424 3.967 215 HE ARG 28 HE ARG 28 8.961 4.615 6.045 216 1HH1 ARG 28 1HH1 ARG 28 11.825 6.247 4.813 217 2HH1 ARG 28 2HH1 ARG 28 12.621 6.285 6.350 218 1HH2 ARG 28 1HH2 ARG 28 10.012 4.664 8.074 219 2HH2 ARG 28 2HH2 ARG 28 11.583 5.378 8.218 220 H ILE 29 H ILE 29 7.169 6.087 1.124 221 HA ILE 29 HA ILE 29 8.787 7.048 -0.925 222 HB ILE 29 HB ILE 29 6.993 8.241 1.138 223 1HG1 ILE 29 1HG1 ILE 29 6.987 7.718 -1.786 224 2HG1 ILE 29 2HG1 ILE 29 5.695 7.580 -0.611 225 1HG2 ILE 29 1HG2 ILE 29 8.586 9.958 -0.775 226 2HG2 ILE 29 2HG2 ILE 29 7.462 10.480 0.503 227 3HG2 ILE 29 3HG2 ILE 29 9.018 9.731 0.937 228 1HD1 ILE 29 1HD1 ILE 29 5.416 10.018 -0.541 229 2HD1 ILE 29 2HD1 ILE 29 6.825 10.236 -1.606 230 3HD1 ILE 29 3HD1 ILE 29 5.346 9.466 -2.231 231 H LEU 30 H LEU 30 10.924 7.461 -0.976 232 HA LEU 30 HA LEU 30 12.338 7.610 1.542 233 1HB LEU 30 1HB LEU 30 13.058 7.213 -1.327 234 2HB LEU 30 2HB LEU 30 14.282 7.831 -0.236 235 HG LEU 30 HG LEU 30 12.766 5.230 0.120 236 1HD1 LEU 30 1HD1 LEU 30 14.165 4.666 -1.586 237 2HD1 LEU 30 2HD1 LEU 30 15.363 5.916 -1.175 238 3HD1 LEU 30 3HD1 LEU 30 15.275 4.419 -0.217 239 1HD2 LEU 30 1HD2 LEU 30 14.900 6.576 1.778 240 2HD2 LEU 30 2HD2 LEU 30 13.304 5.971 2.285 241 3HD2 LEU 30 3HD2 LEU 30 14.594 4.824 1.851 242 H ASP 31 H ASP 31 11.037 9.715 -0.944 243 HA ASP 31 HA ASP 31 11.769 11.956 0.614 244 1HB ASP 31 1HB ASP 31 13.010 13.148 -1.193 245 2HB ASP 31 2HB ASP 31 13.872 11.731 -0.628 246 H GLY 32 H GLY 32 10.737 13.991 -0.375 247 1HA GLY 32 1HA GLY 32 9.400 14.491 -2.547 248 2HA GLY 32 2HA GLY 32 8.359 13.229 -1.919 249 H ARG 33 H ARG 33 6.700 15.004 -1.877 250 HA ARG 33 HA ARG 33 7.135 17.061 0.037 251 1HB ARG 33 1HB ARG 33 4.372 16.476 -0.997 252 2HB ARG 33 2HB ARG 33 5.182 18.019 -0.819 253 1HG ARG 33 1HG ARG 33 5.380 17.887 -3.104 254 2HG ARG 33 2HG ARG 33 6.783 16.907 -2.729 255 1HD ARG 33 1HD ARG 33 4.826 14.985 -2.611 256 2HD ARG 33 2HD ARG 33 4.109 16.069 -3.785 257 HE ARG 33 HE ARG 33 6.397 14.355 -4.217 258 1HH1 ARG 33 1HH1 ARG 33 5.068 17.488 -5.110 259 2HH1 ARG 33 2HH1 ARG 33 5.905 17.554 -6.625 260 1HH2 ARG 33 1HH2 ARG 33 7.502 14.442 -6.215 261 2HH2 ARG 33 2HH2 ARG 33 7.299 15.810 -7.258 262 H ASP 34 H ASP 34 5.538 13.883 -0.166 263 HA ASP 34 HA ASP 34 4.105 14.285 2.265 264 1HB ASP 34 1HB ASP 34 4.644 11.757 0.634 265 2HB ASP 34 2HB ASP 34 3.518 11.856 1.974 266 H LYS 35 H LYS 35 6.833 12.193 1.050 267 HA LYS 35 HA LYS 35 8.509 11.182 2.070 268 1HB LYS 35 1HB LYS 35 8.562 13.752 2.971 269 2HB LYS 35 2HB LYS 35 8.481 12.887 4.493 270 1HG LYS 35 1HG LYS 35 10.522 11.768 4.133 271 2HG LYS 35 2HG LYS 35 10.413 11.902 2.389 272 1HD LYS 35 1HD LYS 35 10.934 14.227 4.304 273 2HD LYS 35 2HD LYS 35 12.155 13.422 3.338 274 1HE LYS 35 1HE LYS 35 10.177 14.092 1.454 275 2HE LYS 35 2HE LYS 35 10.189 15.470 2.535 276 1HZ LYS 35 1HZ LYS 35 12.289 15.985 1.963 277 2HZ LYS 35 2HZ LYS 35 12.759 14.442 1.705 278 3HZ LYS 35 3HZ LYS 35 11.880 15.228 0.575 279 H GLY 36 H GLY 36 8.661 9.272 3.165 280 1HA GLY 36 1HA GLY 36 8.249 7.707 4.759 281 2HA GLY 36 2HA GLY 36 7.264 8.855 5.644 282 H ARG 37 H ARG 37 6.045 9.158 2.598 283 HA ARG 37 HA ARG 37 3.728 7.779 3.232 284 1HB ARG 37 1HB ARG 37 4.618 9.602 1.227 285 2HB ARG 37 2HB ARG 37 4.026 8.205 0.350 286 1HG ARG 37 1HG ARG 37 2.027 8.466 2.206 287 2HG ARG 37 2HG ARG 37 2.529 10.140 2.076 288 1HD ARG 37 1HD ARG 37 2.235 10.052 -0.400 289 2HD ARG 37 2HD ARG 37 1.775 8.364 -0.297 290 HE ARG 37 HE ARG 37 0.102 10.665 0.361 291 1HH1 ARG 37 1HH1 ARG 37 0.631 7.246 1.004 292 2HH1 ARG 37 2HH1 ARG 37 -1.004 6.954 1.495 293 1HH2 ARG 37 1HH2 ARG 37 -2.055 10.281 1.008 294 2HH2 ARG 37 2HH2 ARG 37 -2.543 8.692 1.497 295 H ILE 38 H ILE 38 3.142 5.640 2.915 296 HA ILE 38 HA ILE 38 4.904 4.061 1.172 297 HB ILE 38 HB ILE 38 3.448 3.237 3.687 298 1HG1 ILE 38 1HG1 ILE 38 6.292 2.822 3.738 299 2HG1 ILE 38 2HG1 ILE 38 5.972 4.491 3.310 300 1HG2 ILE 38 1HG2 ILE 38 5.365 1.542 2.087 301 2HG2 ILE 38 2HG2 ILE 38 4.264 1.053 3.398 302 3HG2 ILE 38 3HG2 ILE 38 3.607 1.515 1.809 303 1HD1 ILE 38 1HD1 ILE 38 4.453 3.200 5.595 304 2HD1 ILE 38 2HD1 ILE 38 6.094 3.841 5.847 305 3HD1 ILE 38 3HD1 ILE 38 4.789 4.925 5.311 306 H LEU 39 H LEU 39 3.969 3.251 -0.625 307 HA LEU 39 HA LEU 39 1.069 2.830 -0.530 308 1HB LEU 39 1HB LEU 39 2.615 4.104 -2.793 309 2HB LEU 39 2HB LEU 39 0.917 3.672 -2.830 310 HG LEU 39 HG LEU 39 0.576 5.267 -0.882 311 1HD1 LEU 39 1HD1 LEU 39 3.435 5.405 -1.061 312 2HD1 LEU 39 2HD1 LEU 39 2.745 7.017 -1.368 313 3HD1 LEU 39 3HD1 LEU 39 2.340 6.146 0.130 314 1HD2 LEU 39 1HD2 LEU 39 1.407 6.191 -3.630 315 2HD2 LEU 39 2HD2 LEU 39 -0.230 5.970 -2.967 316 3HD2 LEU 39 3HD2 LEU 39 0.786 7.318 -2.401 317 H THR 40 H THR 40 0.301 1.038 -1.741 318 HA THR 40 HA THR 40 2.463 -0.774 -2.593 319 HB THR 40 HB THR 40 -0.161 -1.980 -2.005 320 HG1 THR 40 HG1 THR 40 1.304 -0.245 -0.158 321 1HG2 THR 40 1HG2 THR 40 2.601 -2.209 -0.694 322 2HG2 THR 40 2HG2 THR 40 1.218 -3.279 -0.361 323 3HG2 THR 40 3HG2 THR 40 1.972 -3.275 -1.973 324 H ARG 41 H ARG 41 2.564 -1.428 -4.657 325 HA ARG 41 HA ARG 41 0.146 -1.077 -6.220 326 1HB ARG 41 1HB ARG 41 2.853 -0.432 -7.433 327 2HB ARG 41 2HB ARG 41 1.267 0.079 -7.975 328 1HG ARG 41 1HG ARG 41 2.591 1.003 -5.380 329 2HG ARG 41 2HG ARG 41 2.577 1.925 -6.871 330 1HD ARG 41 1HD ARG 41 -0.112 0.988 -5.987 331 2HD ARG 41 2HD ARG 41 0.655 2.118 -4.889 332 HE ARG 41 HE ARG 41 1.004 3.194 -7.475 333 1HH1 ARG 41 1HH1 ARG 41 -1.683 2.373 -5.357 334 2HH1 ARG 41 2HH1 ARG 41 -2.734 3.585 -6.010 335 1HH2 ARG 41 1HH2 ARG 41 -0.382 4.793 -8.336 336 2HH2 ARG 41 2HH2 ARG 41 -1.989 4.971 -7.716 337 H ASN 42 H ASN 42 0.010 -2.537 -8.096 338 HA ASN 42 HA ASN 42 1.499 -4.935 -7.609 339 1HB ASN 42 1HB ASN 42 -0.705 -4.257 -9.628 340 2HB ASN 42 2HB ASN 42 -0.022 -5.859 -9.433 341 1HD2 ASN 42 1HD2 ASN 42 -2.745 -4.821 -9.024 342 2HD2 ASN 42 2HD2 ASN 42 -3.207 -5.236 -7.407 343 H VAL 43 H VAL 43 3.323 -5.499 -8.819 344 HA VAL 43 HA VAL 43 3.601 -4.301 -11.475 345 HB VAL 43 HB VAL 43 4.872 -2.889 -10.012 346 1HG1 VAL 43 1HG1 VAL 43 5.157 -5.062 -8.378 347 2HG1 VAL 43 2HG1 VAL 43 6.784 -4.945 -9.090 348 3HG1 VAL 43 3HG1 VAL 43 6.087 -3.552 -8.229 349 1HG2 VAL 43 1HG2 VAL 43 5.996 -3.091 -12.042 350 2HG2 VAL 43 2HG2 VAL 43 7.262 -3.490 -10.855 351 3HG2 VAL 43 3HG2 VAL 43 6.438 -4.790 -11.748 352 H MET 44 H MET 44 4.653 -5.636 -12.997 353 HA MET 44 HA MET 44 4.816 -8.385 -12.106 354 1HB MET 44 1HB MET 44 3.453 -7.632 -14.154 355 2HB MET 44 2HB MET 44 4.963 -7.211 -14.938 356 1HG MET 44 1HG MET 44 5.271 -9.882 -13.919 357 2HG MET 44 2HG MET 44 3.712 -9.818 -14.716 358 1HE MET 44 1HE MET 44 7.235 -11.010 -16.173 359 2HE MET 44 2HE MET 44 7.874 -9.349 -16.126 360 3HE MET 44 3HE MET 44 7.147 -10.064 -14.667 361 H GLY 45 H GLY 45 6.744 -9.446 -11.845 362 1HA GLY 45 1HA GLY 45 8.925 -9.784 -13.065 363 2HA GLY 45 2HA GLY 45 9.166 -8.065 -12.825 364 HA PRO 46 HA PRO 46 10.499 -10.495 -9.088 365 1HB PRO 46 1HB PRO 46 13.176 -10.816 -9.534 366 2HB PRO 46 2HB PRO 46 11.994 -12.070 -9.855 367 1HG PRO 46 1HG PRO 46 13.420 -10.332 -11.774 368 2HG PRO 46 2HG PRO 46 12.581 -11.840 -12.073 369 1HD PRO 46 1HD PRO 46 11.632 -9.200 -12.673 370 2HD PRO 46 2HD PRO 46 10.747 -10.701 -12.865 371 H ILE 47 H ILE 47 9.877 -8.600 -8.020 372 HA ILE 47 HA ILE 47 12.195 -6.834 -7.662 373 HB ILE 47 HB ILE 47 10.304 -5.936 -9.120 374 1HG1 ILE 47 1HG1 ILE 47 10.470 -3.919 -7.057 375 2HG1 ILE 47 2HG1 ILE 47 12.016 -4.728 -7.223 376 1HG2 ILE 47 1HG2 ILE 47 8.386 -4.973 -7.913 377 2HG2 ILE 47 2HG2 ILE 47 8.414 -6.751 -7.831 378 3HG2 ILE 47 3HG2 ILE 47 8.926 -5.786 -6.425 379 1HD1 ILE 47 1HD1 ILE 47 12.016 -4.313 -9.660 380 2HD1 ILE 47 2HD1 ILE 47 10.407 -3.561 -9.543 381 3HD1 ILE 47 3HD1 ILE 47 11.811 -2.784 -8.772 382 H ARG 48 H ARG 48 12.903 -6.796 -5.600 383 HA ARG 48 HA ARG 48 10.905 -7.352 -3.562 384 1HB ARG 48 1HB ARG 48 12.693 -8.610 -2.289 385 2HB ARG 48 2HB ARG 48 12.240 -9.389 -3.792 386 1HG ARG 48 1HG ARG 48 14.516 -7.414 -3.878 387 2HG ARG 48 2HG ARG 48 14.819 -8.967 -3.124 388 1HD ARG 48 1HD ARG 48 13.862 -10.070 -5.236 389 2HD ARG 48 2HD ARG 48 13.835 -8.482 -5.975 390 HE ARG 48 HE ARG 48 16.439 -8.786 -4.955 391 1HH1 ARG 48 1HH1 ARG 48 14.397 -10.441 -7.294 392 2HH1 ARG 48 2HH1 ARG 48 15.727 -10.991 -8.258 393 1HH2 ARG 48 1HH2 ARG 48 18.194 -9.510 -6.226 394 2HH2 ARG 48 2HH2 ARG 48 17.902 -10.458 -7.647 395 H GLU 49 H GLU 49 11.766 -6.627 -1.289 396 HA GLU 49 HA GLU 49 12.132 -4.029 -1.164 397 1HB GLU 49 1HB GLU 49 13.652 -4.718 0.993 398 2HB GLU 49 2HB GLU 49 11.904 -4.836 0.960 399 1HG GLU 49 1HG GLU 49 11.927 -7.131 0.907 400 2HG GLU 49 2HG GLU 49 13.268 -7.195 -0.218 401 H GLY 50 H GLY 50 13.734 -2.468 -1.423 402 1HA GLY 50 1HA GLY 50 16.080 -1.915 -1.321 403 2HA GLY 50 2HA GLY 50 16.445 -3.461 -2.062 404 H ASP 51 H ASP 51 13.955 -3.154 -3.872 405 HA ASP 51 HA ASP 51 15.364 -1.941 -5.984 406 1HB ASP 51 1HB ASP 51 13.083 -3.636 -5.637 407 2HB ASP 51 2HB ASP 51 12.514 -2.230 -6.515 408 H ILE 52 H ILE 52 14.083 -0.221 -7.426 409 HA ILE 52 HA ILE 52 12.971 1.789 -5.594 410 HB ILE 52 HB ILE 52 14.545 2.149 -8.146 411 1HG1 ILE 52 1HG1 ILE 52 15.661 3.396 -5.794 412 2HG1 ILE 52 2HG1 ILE 52 15.407 1.689 -5.490 413 1HG2 ILE 52 1HG2 ILE 52 14.424 4.534 -7.716 414 2HG2 ILE 52 2HG2 ILE 52 12.788 3.854 -7.882 415 3HG2 ILE 52 3HG2 ILE 52 13.428 4.249 -6.269 416 1HD1 ILE 52 1HD1 ILE 52 16.985 2.938 -7.778 417 2HD1 ILE 52 2HD1 ILE 52 17.602 1.903 -6.469 418 3HD1 ILE 52 3HD1 ILE 52 16.551 1.212 -7.729 419 H LEU 53 H LEU 53 10.930 2.542 -5.970 420 HA LEU 53 HA LEU 53 9.732 1.803 -8.544 421 1HB LEU 53 1HB LEU 53 7.985 1.811 -6.158 422 2HB LEU 53 2HB LEU 53 7.927 0.824 -7.605 423 HG LEU 53 HG LEU 53 9.951 0.444 -5.383 424 1HD1 LEU 53 1HD1 LEU 53 7.560 -1.329 -5.840 425 2HD1 LEU 53 2HD1 LEU 53 8.621 -1.206 -4.415 426 3HD1 LEU 53 3HD1 LEU 53 7.469 0.101 -4.783 427 1HD2 LEU 53 1HD2 LEU 53 9.217 -1.714 -7.302 428 2HD2 LEU 53 2HD2 LEU 53 10.248 -0.390 -7.896 429 3HD2 LEU 53 3HD2 LEU 53 10.766 -1.363 -6.498 430 H MET 54 H MET 54 7.781 3.179 -9.068 431 HA MET 54 HA MET 54 8.417 5.882 -8.254 432 1HB MET 54 1HB MET 54 6.780 4.639 -10.521 433 2HB MET 54 2HB MET 54 6.741 6.363 -10.212 434 1HG MET 54 1HG MET 54 9.479 5.170 -10.368 435 2HG MET 54 2HG MET 54 8.569 5.139 -11.865 436 1HE MET 54 1HE MET 54 10.546 6.996 -9.378 437 2HE MET 54 2HE MET 54 10.271 8.732 -9.661 438 3HE MET 54 3HE MET 54 9.051 7.767 -8.797 439 H LEU 55 H LEU 55 7.138 7.040 -6.865 440 HA LEU 55 HA LEU 55 4.582 5.816 -6.139 441 1HB LEU 55 1HB LEU 55 6.299 7.831 -4.684 442 2HB LEU 55 2HB LEU 55 4.764 7.209 -4.113 443 HG LEU 55 HG LEU 55 6.872 6.197 -3.119 444 1HD1 LEU 55 1HD1 LEU 55 4.393 5.183 -3.428 445 2HD1 LEU 55 2HD1 LEU 55 5.344 3.929 -4.260 446 3HD1 LEU 55 3HD1 LEU 55 5.707 4.344 -2.567 447 1HD2 LEU 55 1HD2 LEU 55 8.143 4.612 -4.311 448 2HD2 LEU 55 2HD2 LEU 55 6.996 4.590 -5.673 449 3HD2 LEU 55 3HD2 LEU 55 8.012 6.024 -5.387 450 H LEU 56 H LEU 56 2.872 6.596 -7.250 451 HA LEU 56 HA LEU 56 2.983 9.411 -8.050 452 1HB LEU 56 1HB LEU 56 2.757 7.758 -9.840 453 2HB LEU 56 2HB LEU 56 1.304 7.126 -9.091 454 HG LEU 56 HG LEU 56 0.863 8.600 -11.030 455 1HD1 LEU 56 1HD1 LEU 56 -0.380 10.254 -8.993 456 2HD1 LEU 56 2HD1 LEU 56 -1.108 9.090 -10.125 457 3HD1 LEU 56 3HD1 LEU 56 -0.448 8.526 -8.571 458 1HD2 LEU 56 1HD2 LEU 56 1.458 11.071 -9.511 459 2HD2 LEU 56 2HD2 LEU 56 2.864 10.174 -10.132 460 3HD2 LEU 56 3HD2 LEU 56 1.593 10.721 -11.251 461 H ASP 57 H ASP 57 1.376 10.868 -7.431 462 HA ASP 57 HA ASP 57 0.244 10.488 -4.990 463 1HB ASP 57 1HB ASP 57 -0.526 12.298 -7.317 464 2HB ASP 57 2HB ASP 57 -1.346 12.398 -5.772 465 H THR 58 H THR 58 -1.546 9.283 -4.324 466 HA THR 58 HA THR 58 -3.254 8.151 -6.398 467 HB THR 58 HB THR 58 -2.791 7.586 -3.427 468 HG1 THR 58 HG1 THR 58 -2.361 6.247 -6.005 469 1HG2 THR 58 1HG2 THR 58 -4.783 6.449 -5.424 470 2HG2 THR 58 2HG2 THR 58 -4.078 5.400 -4.171 471 3HG2 THR 58 3HG2 THR 58 -5.032 6.829 -3.703 472 H ILE 59 H ILE 59 -5.302 8.746 -6.809 473 HA ILE 59 HA ILE 59 -6.276 11.064 -5.426 474 HB ILE 59 HB ILE 59 -6.404 10.653 -7.901 475 1HG1 ILE 59 1HG1 ILE 59 -9.132 11.224 -7.590 476 2HG1 ILE 59 2HG1 ILE 59 -8.394 11.765 -6.096 477 1HG2 ILE 59 1HG2 ILE 59 -8.900 9.085 -7.530 478 2HG2 ILE 59 2HG2 ILE 59 -7.706 9.063 -8.851 479 3HG2 ILE 59 3HG2 ILE 59 -7.360 8.216 -7.324 480 1HD1 ILE 59 1HD1 ILE 59 -7.008 12.443 -8.689 481 2HD1 ILE 59 2HD1 ILE 59 -8.466 13.356 -8.233 482 3HD1 ILE 59 3HD1 ILE 59 -7.048 13.351 -7.158 483 H ARG 60 H ARG 60 -7.707 11.132 -3.761 484 HA ARG 60 HA ARG 60 -8.556 8.592 -2.751 485 1HB ARG 60 1HB ARG 60 -9.212 9.847 -0.744 486 2HB ARG 60 2HB ARG 60 -7.619 10.379 -1.246 487 1HG ARG 60 1HG ARG 60 -8.481 12.489 -1.143 488 2HG ARG 60 2HG ARG 60 -9.239 12.111 -2.677 489 1HD ARG 60 1HD ARG 60 -11.295 11.361 -1.537 490 2HD ARG 60 2HD ARG 60 -10.539 11.554 0.032 491 HE ARG 60 HE ARG 60 -10.957 13.851 -0.082 492 1HH1 ARG 60 1HH1 ARG 60 -11.137 12.497 -3.326 493 2HH1 ARG 60 2HH1 ARG 60 -11.693 13.970 -4.047 494 1HH2 ARG 60 1HH2 ARG 60 -11.691 15.794 -1.034 495 2HH2 ARG 60 2HH2 ARG 60 -12.011 15.858 -2.735 496 H GLU 61 H GLU 61 -10.805 8.022 -2.350 497 HA GLU 61 HA GLU 61 -12.570 9.352 -4.206 498 1HB GLU 61 1HB GLU 61 -12.517 6.673 -2.832 499 2HB GLU 61 2HB GLU 61 -14.071 7.299 -3.343 500 1HG GLU 61 1HG GLU 61 -13.444 7.349 -5.641 501 2HG GLU 61 2HG GLU 61 -11.731 7.305 -5.274 502 H ALA 62 H ALA 62 -14.506 10.399 -3.610 503 HA ALA 62 HA ALA 62 -14.591 11.230 -0.845 504 1HB ALA 62 1HB ALA 62 -14.904 12.655 -3.025 505 2HB ALA 62 2HB ALA 62 -16.566 12.019 -2.990 506 3HB ALA 62 3HB ALA 62 -15.949 12.973 -1.620 507 H LYS 63 H LYS 63 -15.711 10.127 0.674 508 HA LYS 63 HA LYS 63 -17.614 8.141 -0.186 509 1HB LYS 63 1HB LYS 63 -16.008 7.592 1.556 510 2HB LYS 63 2HB LYS 63 -16.564 8.925 2.548 511 1HG LYS 63 1HG LYS 63 -17.905 7.320 3.497 512 2HG LYS 63 2HG LYS 63 -18.951 7.670 2.135 513 1HD LYS 63 1HD LYS 63 -16.761 5.629 1.749 514 2HD LYS 63 2HD LYS 63 -18.161 5.162 2.693 515 1HE LYS 63 1HE LYS 63 -19.413 6.350 0.560 516 2HE LYS 63 2HE LYS 63 -17.960 5.773 -0.231 517 1HZ LYS 63 1HZ LYS 63 -18.751 3.736 -0.147 518 2HZ LYS 63 2HZ LYS 63 -18.967 3.792 1.471 519 3HZ LYS 63 3HZ LYS 63 -20.155 4.296 0.470 520 H GLU 64 H GLU 64 -19.793 8.376 -0.272 521 HA GLU 64 HA GLU 64 -20.804 10.936 0.628 522 1HB GLU 64 1HB GLU 64 -22.749 10.445 -0.803 523 2HB GLU 64 2HB GLU 64 -21.260 10.276 -1.711 524 1HG GLU 64 1HG GLU 64 -21.402 7.927 -1.789 525 2HG GLU 64 2HG GLU 64 -22.379 7.830 -0.337 526 H ILE 65 H ILE 65 -22.885 11.038 1.829 527 HA ILE 65 HA ILE 65 -23.009 8.848 3.737 528 HB ILE 65 HB ILE 65 -24.069 11.666 3.704 529 1HG1 ILE 65 1HG1 ILE 65 -22.384 10.643 5.912 530 2HG1 ILE 65 2HG1 ILE 65 -21.589 10.733 4.353 531 1HG2 ILE 65 1HG2 ILE 65 -24.440 10.478 6.259 532 2HG2 ILE 65 2HG2 ILE 65 -25.663 11.141 5.149 533 3HG2 ILE 65 3HG2 ILE 65 -25.211 9.422 5.051 534 1HD1 ILE 65 1HD1 ILE 65 -21.461 12.993 4.464 535 2HD1 ILE 65 2HD1 ILE 65 -23.202 13.129 4.810 536 3HD1 ILE 65 3HD1 ILE 65 -22.048 12.870 6.140 537 H ARG 66 H ARG 66 -24.736 7.461 3.958 538 HA ARG 66 HA ARG 66 -26.515 7.424 1.743 539 1HB ARG 66 1HB ARG 66 -25.434 5.393 2.983 540 2HB ARG 66 2HB ARG 66 -26.661 5.636 4.210 541 1HG ARG 66 1HG ARG 66 -28.297 4.717 2.914 542 2HG ARG 66 2HG ARG 66 -27.827 5.653 1.509 543 1HD ARG 66 1HD ARG 66 -26.331 4.018 0.737 544 2HD ARG 66 2HD ARG 66 -26.012 3.392 2.342 545 HE ARG 66 HE ARG 66 -27.791 1.907 2.070 546 1HH1 ARG 66 1HH1 ARG 66 -28.210 4.588 -0.170 547 2HH1 ARG 66 2HH1 ARG 66 -29.591 3.889 -0.948 548 1HH2 ARG 66 1HH2 ARG 66 -29.613 0.985 1.045 549 2HH2 ARG 66 2HH2 ARG 66 -30.395 1.826 -0.251 550 H THR 67 H THR 67 -28.897 7.445 1.921 551 HA THR 67 HA THR 67 -29.846 8.769 4.377 552 HB THR 67 HB THR 67 -31.253 10.181 2.926 553 HG1 THR 67 HG1 THR 67 -29.861 8.745 0.784 554 1HG2 THR 67 1HG2 THR 67 -28.905 11.012 3.158 555 2HG2 THR 67 2HG2 THR 67 -28.414 9.992 1.785 556 3HG2 THR 67 3HG2 THR 67 -29.537 11.349 1.529 557 HA PRO 68 HA PRO 68 -32.780 5.639 4.512 558 1HB PRO 68 1HB PRO 68 -34.648 6.769 6.156 559 2HB PRO 68 2HB PRO 68 -33.177 6.023 6.748 560 1HG PRO 68 1HG PRO 68 -33.839 8.895 6.525 561 2HG PRO 68 2HG PRO 68 -32.588 8.128 7.483 562 1HD PRO 68 1HD PRO 68 -32.233 9.545 5.015 563 2HD PRO 68 2HD PRO 68 -31.002 8.679 5.913 Start of MODEL 7 1 HA MET 1 HA MET 1 4.289 15.836 -5.083 2 1HB MET 1 1HB MET 1 3.608 18.463 -5.787 3 2HB MET 1 2HB MET 1 2.113 17.606 -6.100 4 1HG MET 1 1HG MET 1 2.575 16.523 -3.703 5 2HG MET 1 2HG MET 1 3.594 17.932 -3.480 6 1HE MET 1 1HE MET 1 -0.375 17.683 -5.163 7 2HE MET 1 2HE MET 1 0.426 16.389 -4.240 8 3HE MET 1 3HE MET 1 -0.793 17.421 -3.453 9 H ASP 2 H ASP 2 2.630 16.696 -8.208 10 HA ASP 2 HA ASP 2 0.795 14.592 -7.936 11 1HB ASP 2 1HB ASP 2 1.659 16.352 -10.267 12 2HB ASP 2 2HB ASP 2 0.439 15.110 -10.464 13 H ASP 3 H ASP 3 4.011 15.059 -9.419 14 HA ASP 3 HA ASP 3 3.921 12.806 -11.073 15 1HB ASP 3 1HB ASP 3 5.734 14.922 -10.457 16 2HB ASP 3 2HB ASP 3 6.611 13.442 -10.125 17 H ALA 4 H ALA 4 5.802 11.010 -10.668 18 HA ALA 4 HA ALA 4 5.186 9.856 -8.088 19 1HB ALA 4 1HB ALA 4 5.074 8.552 -10.215 20 2HB ALA 4 2HB ALA 4 6.826 8.789 -10.422 21 3HB ALA 4 3HB ALA 4 6.212 7.853 -9.038 22 H THR 5 H THR 5 6.704 9.396 -6.454 23 HA THR 5 HA THR 5 9.187 10.941 -6.703 24 HB THR 5 HB THR 5 7.152 10.517 -4.638 25 HG1 THR 5 HG1 THR 5 9.654 12.036 -4.894 26 1HG2 THR 5 1HG2 THR 5 8.605 10.222 -2.720 27 2HG2 THR 5 2HG2 THR 5 8.976 8.874 -3.821 28 3HG2 THR 5 3HG2 THR 5 10.064 10.280 -3.738 29 HA PRO 6 HA PRO 6 11.523 7.340 -6.769 30 1HB PRO 6 1HB PRO 6 13.955 8.309 -5.984 31 2HB PRO 6 2HB PRO 6 13.344 8.464 -7.619 32 1HG PRO 6 1HG PRO 6 13.534 10.525 -5.508 33 2HG PRO 6 2HG PRO 6 13.336 10.739 -7.237 34 1HD PRO 6 1HD PRO 6 11.302 11.001 -5.231 35 2HD PRO 6 2HD PRO 6 11.082 11.100 -6.967 36 H ALA 7 H ALA 7 10.968 5.715 -5.455 37 HA ALA 7 HA ALA 7 12.028 5.997 -2.734 38 1HB ALA 7 1HB ALA 7 9.562 4.432 -2.893 39 2HB ALA 7 2HB ALA 7 9.983 5.781 -1.812 40 3HB ALA 7 3HB ALA 7 9.317 6.111 -3.429 41 H GLU 8 H GLU 8 12.446 3.886 -1.678 42 HA GLU 8 HA GLU 8 12.973 1.870 -3.721 43 1HB GLU 8 1HB GLU 8 14.473 2.513 -1.147 44 2HB GLU 8 2HB GLU 8 14.792 1.086 -2.114 45 1HG GLU 8 1HG GLU 8 14.959 2.904 -4.097 46 2HG GLU 8 2HG GLU 8 15.326 3.981 -2.765 47 H VAL 9 H VAL 9 12.150 -0.198 -3.433 48 HA VAL 9 HA VAL 9 10.008 -0.618 -1.796 49 HB VAL 9 HB VAL 9 11.964 -2.718 -2.742 50 1HG1 VAL 9 1HG1 VAL 9 9.844 -3.131 -1.156 51 2HG1 VAL 9 2HG1 VAL 9 9.009 -3.129 -2.728 52 3HG1 VAL 9 3HG1 VAL 9 10.331 -4.282 -2.424 53 1HG2 VAL 9 1HG2 VAL 9 10.365 -0.840 -4.270 54 2HG2 VAL 9 2HG2 VAL 9 11.555 -2.039 -4.830 55 3HG2 VAL 9 3HG2 VAL 9 9.857 -2.516 -4.587 56 H ILE 10 H ILE 10 9.660 -1.227 0.313 57 HA ILE 10 HA ILE 10 12.090 -1.713 1.893 58 HB ILE 10 HB ILE 10 10.877 -0.679 3.775 59 1HG1 ILE 10 1HG1 ILE 10 8.939 0.912 2.653 60 2HG1 ILE 10 2HG1 ILE 10 8.703 -0.593 1.786 61 1HG2 ILE 10 1HG2 ILE 10 11.585 1.433 3.261 62 2HG2 ILE 10 2HG2 ILE 10 12.411 0.510 1.982 63 3HG2 ILE 10 3HG2 ILE 10 10.906 1.387 1.616 64 1HD1 ILE 10 1HD1 ILE 10 7.471 -1.198 3.614 65 2HD1 ILE 10 2HD1 ILE 10 9.053 -1.525 4.362 66 3HD1 ILE 10 3HD1 ILE 10 8.237 0.030 4.650 67 H GLU 11 H GLU 11 8.639 -2.510 1.295 68 HA GLU 11 HA GLU 11 9.181 -5.030 2.649 69 1HB GLU 11 1HB GLU 11 7.797 -4.031 4.250 70 2HB GLU 11 2HB GLU 11 6.890 -3.118 3.061 71 1HG GLU 11 1HG GLU 11 5.573 -4.989 2.426 72 2HG GLU 11 2HG GLU 11 6.737 -6.145 3.043 73 H VAL 12 H VAL 12 7.993 -6.885 1.788 74 HA VAL 12 HA VAL 12 6.881 -6.344 -0.879 75 HB VAL 12 HB VAL 12 8.432 -8.781 0.009 76 1HG1 VAL 12 1HG1 VAL 12 7.152 -7.915 -2.571 77 2HG1 VAL 12 2HG1 VAL 12 8.596 -8.955 -2.601 78 3HG1 VAL 12 3HG1 VAL 12 7.123 -9.501 -1.764 79 1HG2 VAL 12 1HG2 VAL 12 10.358 -7.941 -1.078 80 2HG2 VAL 12 2HG2 VAL 12 9.452 -6.609 -1.835 81 3HG2 VAL 12 3HG2 VAL 12 9.756 -6.596 -0.081 82 H LEU 13 H LEU 13 4.954 -7.386 -1.424 83 HA LEU 13 HA LEU 13 3.682 -8.760 0.833 84 1HB LEU 13 1HB LEU 13 2.106 -7.733 -1.467 85 2HB LEU 13 2HB LEU 13 1.684 -7.853 0.230 86 HG LEU 13 HG LEU 13 1.810 -5.551 -0.250 87 1HD1 LEU 13 1HD1 LEU 13 3.243 -6.602 1.752 88 2HD1 LEU 13 2HD1 LEU 13 4.551 -5.767 0.880 89 3HD1 LEU 13 3HD1 LEU 13 3.135 -4.851 1.450 90 1HD2 LEU 13 1HD2 LEU 13 3.039 -4.639 -1.862 91 2HD2 LEU 13 2HD2 LEU 13 4.553 -5.254 -1.156 92 3HD2 LEU 13 3HD2 LEU 13 3.602 -6.281 -2.256 93 H LYS 14 H LYS 14 3.875 -10.932 0.667 94 HA LYS 14 HA LYS 14 3.263 -12.085 -1.955 95 1HB LYS 14 1HB LYS 14 5.786 -12.240 -0.497 96 2HB LYS 14 2HB LYS 14 5.108 -13.829 -0.790 97 1HG LYS 14 1HG LYS 14 5.580 -13.718 -3.011 98 2HG LYS 14 2HG LYS 14 4.806 -12.154 -3.167 99 1HD LYS 14 1HD LYS 14 6.898 -11.324 -3.517 100 2HD LYS 14 2HD LYS 14 7.129 -11.497 -1.789 101 1HE LYS 14 1HE LYS 14 8.969 -12.694 -2.629 102 2HE LYS 14 2HE LYS 14 7.810 -13.980 -2.359 103 1HZ LYS 14 1HZ LYS 14 7.951 -12.617 -4.941 104 2HZ LYS 14 2HZ LYS 14 8.950 -13.861 -4.592 105 3HZ LYS 14 3HZ LYS 14 7.333 -14.090 -4.602 106 H ARG 15 H ARG 15 2.394 -14.301 -1.822 107 HA ARG 15 HA ARG 15 1.295 -14.801 0.826 108 1HB ARG 15 1HB ARG 15 -0.170 -14.063 -1.441 109 2HB ARG 15 2HB ARG 15 -0.316 -15.809 -1.456 110 1HG ARG 15 1HG ARG 15 -0.828 -15.455 1.157 111 2HG ARG 15 2HG ARG 15 -1.265 -13.842 0.629 112 1HD ARG 15 1HD ARG 15 -2.406 -15.833 -1.185 113 2HD ARG 15 2HD ARG 15 -2.861 -16.194 0.468 114 HE ARG 15 HE ARG 15 -3.208 -13.397 0.097 115 1HH1 ARG 15 1HH1 ARG 15 -4.579 -16.410 -1.096 116 2HH1 ARG 15 2HH1 ARG 15 -6.138 -15.725 -1.412 117 1HH2 ARG 15 1HH2 ARG 15 -5.265 -12.492 -0.319 118 2HH2 ARG 15 2HH2 ARG 15 -6.531 -13.481 -0.967 119 H THR 16 H THR 16 2.386 -16.619 1.547 120 HA THR 16 HA THR 16 3.154 -18.704 1.626 121 HB THR 16 HB THR 16 1.441 -19.174 -0.870 122 HG1 THR 16 HG1 THR 16 0.218 -18.204 0.865 123 1HG2 THR 16 1HG2 THR 16 3.065 -21.022 0.145 124 2HG2 THR 16 2HG2 THR 16 1.864 -21.075 1.458 125 3HG2 THR 16 3HG2 THR 16 1.374 -21.448 -0.212 126 H GLY 17 H GLY 17 2.897 -18.526 -1.969 127 1HA GLY 17 1HA GLY 17 5.848 -18.430 -2.054 128 2HA GLY 17 2HA GLY 17 4.944 -19.619 -2.970 129 H MET 18 H MET 18 3.467 -18.897 -4.693 130 HA MET 18 HA MET 18 3.290 -16.189 -5.363 131 1HB MET 18 1HB MET 18 4.708 -16.236 -7.426 132 2HB MET 18 2HB MET 18 5.684 -16.534 -6.001 133 1HG MET 18 1HG MET 18 5.360 -19.053 -6.448 134 2HG MET 18 2HG MET 18 4.656 -18.608 -7.990 135 1HE MET 18 1HE MET 18 6.935 -20.484 -8.052 136 2HE MET 18 2HE MET 18 6.425 -19.719 -9.575 137 3HE MET 18 3HE MET 18 8.151 -19.783 -9.146 138 H THR 19 H THR 19 1.402 -16.002 -6.501 139 HA THR 19 HA THR 19 0.745 -17.889 -8.558 140 HB THR 19 HB THR 19 -0.651 -17.899 -5.847 141 HG1 THR 19 HG1 THR 19 0.279 -19.858 -7.828 142 1HG2 THR 19 1HG2 THR 19 -1.920 -18.076 -8.460 143 2HG2 THR 19 2HG2 THR 19 -1.914 -19.687 -7.701 144 3HG2 THR 19 3HG2 THR 19 -2.658 -18.308 -6.857 145 H GLY 20 H GLY 20 -0.578 -17.003 -10.084 146 1HA GLY 20 1HA GLY 20 -2.554 -15.435 -10.261 147 2HA GLY 20 2HA GLY 20 -1.507 -14.263 -9.485 148 H GLU 21 H GLU 21 -0.445 -12.889 -10.838 149 HA GLU 21 HA GLU 21 0.750 -13.932 -13.203 150 1HB GLU 21 1HB GLU 21 -0.401 -12.306 -14.738 151 2HB GLU 21 2HB GLU 21 -1.464 -13.555 -14.120 152 1HG GLU 21 1HG GLU 21 -2.276 -11.976 -12.347 153 2HG GLU 21 2HG GLU 21 -1.227 -10.726 -12.988 154 H VAL 22 H VAL 22 -0.242 -11.052 -11.263 155 HA VAL 22 HA VAL 22 2.410 -9.921 -11.841 156 HB VAL 22 HB VAL 22 -0.303 -8.661 -11.563 157 1HG1 VAL 22 1HG1 VAL 22 0.695 -6.471 -11.299 158 2HG1 VAL 22 2HG1 VAL 22 1.235 -7.522 -9.968 159 3HG1 VAL 22 3HG1 VAL 22 2.332 -7.170 -11.325 160 1HG2 VAL 22 1HG2 VAL 22 -0.015 -7.959 -13.707 161 2HG2 VAL 22 2HG2 VAL 22 1.739 -7.724 -13.513 162 3HG2 VAL 22 3HG2 VAL 22 1.083 -9.359 -13.767 163 H MET 23 H MET 23 3.612 -9.115 -10.082 164 HA MET 23 HA MET 23 2.533 -9.971 -7.515 165 1HB MET 23 1HB MET 23 4.598 -11.114 -7.924 166 2HB MET 23 2HB MET 23 5.325 -9.720 -8.699 167 1HG MET 23 1HG MET 23 5.822 -8.660 -6.655 168 2HG MET 23 2HG MET 23 4.536 -9.480 -5.791 169 1HE MET 23 1HE MET 23 8.819 -10.784 -6.387 170 2HE MET 23 2HE MET 23 7.893 -10.509 -7.883 171 3HE MET 23 3HE MET 23 8.043 -9.209 -6.677 172 H GLN 24 H GLN 24 2.618 -8.570 -5.683 173 HA GLN 24 HA GLN 24 3.030 -5.791 -6.447 174 1HB GLN 24 1HB GLN 24 1.355 -5.175 -4.917 175 2HB GLN 24 2HB GLN 24 0.745 -6.685 -5.564 176 1HG GLN 24 1HG GLN 24 2.321 -7.558 -3.438 177 2HG GLN 24 2HG GLN 24 1.678 -6.050 -2.820 178 1HE2 GLN 24 1HE2 GLN 24 0.119 -6.591 -1.480 179 2HE2 GLN 24 2HE2 GLN 24 -1.235 -7.617 -1.822 180 H VAL 25 H VAL 25 4.090 -4.333 -4.882 181 HA VAL 25 HA VAL 25 5.598 -5.697 -2.794 182 HB VAL 25 HB VAL 25 6.834 -5.517 -5.075 183 1HG1 VAL 25 1HG1 VAL 25 7.819 -3.487 -5.671 184 2HG1 VAL 25 2HG1 VAL 25 6.172 -3.008 -5.198 185 3HG1 VAL 25 3HG1 VAL 25 7.529 -2.759 -4.073 186 1HG2 VAL 25 1HG2 VAL 25 8.983 -4.878 -3.776 187 2HG2 VAL 25 2HG2 VAL 25 7.913 -4.771 -2.358 188 3HG2 VAL 25 3HG2 VAL 25 8.062 -6.306 -3.247 189 H LYS 26 H LYS 26 6.505 -4.145 -1.198 190 HA LYS 26 HA LYS 26 4.866 -1.709 -1.161 191 1HB LYS 26 1HB LYS 26 4.645 -3.633 0.618 192 2HB LYS 26 2HB LYS 26 6.098 -2.925 1.295 193 1HG LYS 26 1HG LYS 26 4.745 -0.637 1.016 194 2HG LYS 26 2HG LYS 26 3.350 -1.697 1.001 195 1HD LYS 26 1HD LYS 26 5.480 -1.838 3.178 196 2HD LYS 26 2HD LYS 26 4.082 -0.789 3.303 197 1HE LYS 26 1HE LYS 26 2.690 -2.971 2.780 198 2HE LYS 26 2HE LYS 26 4.156 -3.824 3.224 199 1HZ LYS 26 1HZ LYS 26 3.407 -3.583 5.277 200 2HZ LYS 26 2HZ LYS 26 3.874 -2.020 5.193 201 3HZ LYS 26 3HZ LYS 26 2.323 -2.427 4.884 202 H CYS 27 H CYS 27 5.869 0.246 -1.200 203 HA CYS 27 HA CYS 27 8.709 0.280 -0.534 204 1HB CYS 27 1HB CYS 27 9.309 1.527 -2.482 205 2HB CYS 27 2HB CYS 27 8.462 0.091 -3.021 206 HG CYS 27 HG CYS 27 7.308 1.564 -4.557 207 H ARG 28 H ARG 28 9.184 2.018 0.804 208 HA ARG 28 HA ARG 28 6.982 3.816 1.301 209 1HB ARG 28 1HB ARG 28 8.037 2.678 3.246 210 2HB ARG 28 2HB ARG 28 9.599 3.347 2.818 211 1HG ARG 28 1HG ARG 28 7.697 5.523 2.969 212 2HG ARG 28 2HG ARG 28 7.529 4.549 4.417 213 1HD ARG 28 1HD ARG 28 10.361 4.920 3.754 214 2HD ARG 28 2HD ARG 28 9.550 6.469 3.878 215 HE ARG 28 HE ARG 28 9.139 6.077 6.177 216 1HH1 ARG 28 1HH1 ARG 28 10.449 3.193 4.644 217 2HH1 ARG 28 2HH1 ARG 28 10.760 2.383 6.143 218 1HH2 ARG 28 1HH2 ARG 28 9.549 5.008 8.154 219 2HH2 ARG 28 2HH2 ARG 28 10.245 3.422 8.153 220 H ILE 29 H ILE 29 7.157 6.100 1.049 221 HA ILE 29 HA ILE 29 8.800 7.039 -0.951 222 HB ILE 29 HB ILE 29 7.112 8.278 1.174 223 1HG1 ILE 29 1HG1 ILE 29 7.013 7.802 -1.757 224 2HG1 ILE 29 2HG1 ILE 29 5.743 7.707 -0.553 225 1HG2 ILE 29 1HG2 ILE 29 9.161 9.699 0.988 226 2HG2 ILE 29 2HG2 ILE 29 8.784 9.928 -0.736 227 3HG2 ILE 29 3HG2 ILE 29 7.652 10.512 0.507 228 1HD1 ILE 29 1HD1 ILE 29 5.620 10.172 -0.429 229 2HD1 ILE 29 2HD1 ILE 29 6.970 10.309 -1.581 230 3HD1 ILE 29 3HD1 ILE 29 5.413 9.628 -2.111 231 H LEU 30 H LEU 30 10.834 7.935 -1.070 232 HA LEU 30 HA LEU 30 12.390 7.742 1.396 233 1HB LEU 30 1HB LEU 30 13.038 7.599 -1.527 234 2HB LEU 30 2HB LEU 30 14.285 8.038 -0.376 235 HG LEU 30 HG LEU 30 12.716 5.451 -0.482 236 1HD1 LEU 30 1HD1 LEU 30 15.673 6.027 -0.821 237 2HD1 LEU 30 2HD1 LEU 30 14.899 4.425 -0.877 238 3HD1 LEU 30 3HD1 LEU 30 14.521 5.640 -2.122 239 1HD2 LEU 30 1HD2 LEU 30 14.527 6.538 1.670 240 2HD2 LEU 30 2HD2 LEU 30 12.905 5.820 1.820 241 3HD2 LEU 30 3HD2 LEU 30 14.301 4.789 1.424 242 H ASP 31 H ASP 31 10.971 9.988 -0.889 243 HA ASP 31 HA ASP 31 11.745 12.132 0.772 244 1HB ASP 31 1HB ASP 31 12.838 13.438 -1.141 245 2HB ASP 31 2HB ASP 31 13.807 12.153 -0.448 246 H GLY 32 H GLY 32 10.438 14.052 0.238 247 1HA GLY 32 1HA GLY 32 9.120 14.869 -1.864 248 2HA GLY 32 2HA GLY 32 8.184 13.427 -1.529 249 H ARG 33 H ARG 33 6.740 15.685 -1.408 250 HA ARG 33 HA ARG 33 6.861 17.103 0.948 251 1HB ARG 33 1HB ARG 33 5.558 17.854 -1.014 252 2HB ARG 33 2HB ARG 33 4.483 16.477 -0.873 253 1HG ARG 33 1HG ARG 33 3.421 18.478 0.100 254 2HG ARG 33 2HG ARG 33 3.708 17.285 1.351 255 1HD ARG 33 1HD ARG 33 5.279 18.587 2.430 256 2HD ARG 33 2HD ARG 33 5.963 19.192 0.934 257 HE ARG 33 HE ARG 33 4.530 21.035 1.058 258 1HH1 ARG 33 1HH1 ARG 33 3.281 18.479 3.128 259 2HH1 ARG 33 2HH1 ARG 33 2.025 19.463 3.802 260 1HH2 ARG 33 1HH2 ARG 33 2.874 22.334 1.947 261 2HH2 ARG 33 2HH2 ARG 33 1.792 21.671 3.126 262 H ASP 34 H ASP 34 5.858 13.842 0.294 263 HA ASP 34 HA ASP 34 4.363 13.784 2.791 264 1HB ASP 34 1HB ASP 34 4.373 12.007 0.325 265 2HB ASP 34 2HB ASP 34 3.722 11.419 1.842 266 H LYS 35 H LYS 35 7.445 13.482 1.741 267 HA LYS 35 HA LYS 35 8.744 11.346 1.945 268 1HB LYS 35 1HB LYS 35 9.716 13.568 2.418 269 2HB LYS 35 2HB LYS 35 9.145 13.471 4.072 270 1HG LYS 35 1HG LYS 35 10.652 11.748 4.644 271 2HG LYS 35 2HG LYS 35 10.824 11.202 2.988 272 1HD LYS 35 1HD LYS 35 12.701 12.715 4.250 273 2HD LYS 35 2HD LYS 35 12.480 12.725 2.512 274 1HE LYS 35 1HE LYS 35 11.300 14.777 2.532 275 2HE LYS 35 2HE LYS 35 10.818 14.604 4.208 276 1HZ LYS 35 1HZ LYS 35 13.367 15.469 3.129 277 2HZ LYS 35 2HZ LYS 35 12.510 16.076 4.380 278 3HZ LYS 35 3HZ LYS 35 13.370 14.701 4.571 279 H GLY 36 H GLY 36 8.184 9.348 2.632 280 1HA GLY 36 1HA GLY 36 8.303 7.931 4.600 281 2HA GLY 36 2HA GLY 36 7.312 9.101 5.449 282 H ARG 37 H ARG 37 5.972 9.327 2.489 283 HA ARG 37 HA ARG 37 3.725 7.892 3.201 284 1HB ARG 37 1HB ARG 37 4.489 9.711 1.160 285 2HB ARG 37 2HB ARG 37 3.969 8.278 0.296 286 1HG ARG 37 1HG ARG 37 1.906 8.341 1.961 287 2HG ARG 37 2HG ARG 37 2.378 10.011 2.207 288 1HD ARG 37 1HD ARG 37 2.266 10.383 -0.287 289 2HD ARG 37 2HD ARG 37 1.726 8.728 -0.492 290 HE ARG 37 HE ARG 37 0.126 10.969 0.466 291 1HH1 ARG 37 1HH1 ARG 37 0.482 7.471 0.599 292 2HH1 ARG 37 2HH1 ARG 37 -1.183 7.187 0.982 293 1HH2 ARG 37 1HH2 ARG 37 -2.071 10.596 0.972 294 2HH2 ARG 37 2HH2 ARG 37 -2.645 8.977 1.196 295 H ILE 38 H ILE 38 3.047 5.775 2.773 296 HA ILE 38 HA ILE 38 4.882 4.168 1.134 297 HB ILE 38 HB ILE 38 3.294 3.327 3.562 298 1HG1 ILE 38 1HG1 ILE 38 6.085 2.964 3.919 299 2HG1 ILE 38 2HG1 ILE 38 5.869 4.595 3.316 300 1HG2 ILE 38 1HG2 ILE 38 4.739 1.244 3.318 301 2HG2 ILE 38 2HG2 ILE 38 3.410 1.448 2.150 302 3HG2 ILE 38 3HG2 ILE 38 5.085 1.807 1.665 303 1HD1 ILE 38 1HD1 ILE 38 5.521 5.002 5.568 304 2HD1 ILE 38 2HD1 ILE 38 3.850 4.593 5.110 305 3HD1 ILE 38 3HD1 ILE 38 4.890 3.366 5.874 306 H LEU 39 H LEU 39 4.018 3.062 -0.571 307 HA LEU 39 HA LEU 39 1.118 2.750 -0.630 308 1HB LEU 39 1HB LEU 39 2.765 4.121 -2.756 309 2HB LEU 39 2HB LEU 39 1.141 3.517 -3.018 310 HG LEU 39 HG LEU 39 1.061 5.888 -2.623 311 1HD1 LEU 39 1HD1 LEU 39 -0.830 5.755 -1.450 312 2HD1 LEU 39 2HD1 LEU 39 -0.464 4.022 -1.269 313 3HD1 LEU 39 3HD1 LEU 39 0.010 5.170 0.006 314 1HD2 LEU 39 1HD2 LEU 39 2.370 6.994 -1.209 315 2HD2 LEU 39 2HD2 LEU 39 1.864 5.982 0.165 316 3HD2 LEU 39 3HD2 LEU 39 3.198 5.452 -0.887 317 H THR 40 H THR 40 0.424 1.105 -2.234 318 HA THR 40 HA THR 40 2.618 -0.788 -2.778 319 HB THR 40 HB THR 40 -0.186 -1.785 -2.469 320 HG1 THR 40 HG1 THR 40 -0.146 -0.258 -0.748 321 1HG2 THR 40 1HG2 THR 40 2.625 -2.594 -1.744 322 2HG2 THR 40 2HG2 THR 40 1.320 -3.151 -0.669 323 3HG2 THR 40 3HG2 THR 40 1.299 -3.588 -2.394 324 H ARG 41 H ARG 41 2.759 -1.745 -4.779 325 HA ARG 41 HA ARG 41 0.657 -1.038 -6.640 326 1HB ARG 41 1HB ARG 41 2.523 -0.563 -8.370 327 2HB ARG 41 2HB ARG 41 2.267 0.664 -7.146 328 1HG ARG 41 1HG ARG 41 4.116 -1.095 -5.951 329 2HG ARG 41 2HG ARG 41 4.629 -1.028 -7.625 330 1HD ARG 41 1HD ARG 41 4.089 1.437 -5.899 331 2HD ARG 41 2HD ARG 41 5.681 0.758 -6.173 332 HE ARG 41 HE ARG 41 4.196 2.418 -8.012 333 1HH1 ARG 41 1HH1 ARG 41 6.426 -0.303 -7.924 334 2HH1 ARG 41 2HH1 ARG 41 7.066 0.007 -9.503 335 1HH2 ARG 41 1HH2 ARG 41 5.041 2.827 -10.095 336 2HH2 ARG 41 2HH2 ARG 41 6.274 1.799 -10.746 337 H ASN 42 H ASN 42 0.485 -2.541 -8.461 338 HA ASN 42 HA ASN 42 1.708 -5.075 -7.817 339 1HB ASN 42 1HB ASN 42 0.031 -6.016 -9.397 340 2HB ASN 42 2HB ASN 42 -0.756 -4.992 -8.213 341 1HD2 ASN 42 1HD2 ASN 42 -1.696 -3.093 -8.796 342 2HD2 ASN 42 2HD2 ASN 42 -1.924 -2.574 -10.433 343 H VAL 43 H VAL 43 3.500 -5.757 -9.003 344 HA VAL 43 HA VAL 43 3.720 -4.856 -11.771 345 HB VAL 43 HB VAL 43 5.056 -3.247 -10.762 346 1HG1 VAL 43 1HG1 VAL 43 5.599 -3.449 -8.607 347 2HG1 VAL 43 2HG1 VAL 43 5.337 -5.209 -8.655 348 3HG1 VAL 43 3HG1 VAL 43 6.924 -4.534 -9.092 349 1HG2 VAL 43 1HG2 VAL 43 6.216 -4.478 -12.573 350 2HG2 VAL 43 2HG2 VAL 43 7.346 -3.789 -11.382 351 3HG2 VAL 43 3HG2 VAL 43 6.972 -5.529 -11.351 352 H MET 44 H MET 44 4.366 -6.481 -13.131 353 HA MET 44 HA MET 44 4.692 -9.046 -11.919 354 1HB MET 44 1HB MET 44 3.312 -8.880 -13.928 355 2HB MET 44 2HB MET 44 4.557 -8.000 -14.792 356 1HG MET 44 1HG MET 44 6.037 -10.034 -14.702 357 2HG MET 44 2HG MET 44 4.765 -10.911 -13.875 358 1HE MET 44 1HE MET 44 5.634 -10.545 -18.068 359 2HE MET 44 2HE MET 44 6.552 -10.675 -16.548 360 3HE MET 44 3HE MET 44 5.671 -12.087 -17.180 361 H GLY 45 H GLY 45 6.604 -10.095 -11.532 362 1HA GLY 45 1HA GLY 45 8.780 -10.585 -12.744 363 2HA GLY 45 2HA GLY 45 9.048 -8.857 -12.634 364 HA PRO 46 HA PRO 46 10.314 -11.023 -8.712 365 1HB PRO 46 1HB PRO 46 12.980 -11.460 -9.121 366 2HB PRO 46 2HB PRO 46 11.761 -12.699 -9.343 367 1HG PRO 46 1HG PRO 46 13.242 -11.167 -11.392 368 2HG PRO 46 2HG PRO 46 12.357 -12.670 -11.571 369 1HD PRO 46 1HD PRO 46 11.490 -10.060 -12.387 370 2HD PRO 46 2HD PRO 46 10.560 -11.544 -12.459 371 H ILE 47 H ILE 47 9.744 -9.023 -7.815 372 HA ILE 47 HA ILE 47 12.119 -7.312 -7.579 373 HB ILE 47 HB ILE 47 10.332 -6.447 -9.142 374 1HG1 ILE 47 1HG1 ILE 47 10.402 -4.315 -7.196 375 2HG1 ILE 47 2HG1 ILE 47 11.943 -5.150 -7.210 376 1HG2 ILE 47 1HG2 ILE 47 8.242 -5.882 -8.455 377 2HG2 ILE 47 2HG2 ILE 47 8.529 -7.242 -7.343 378 3HG2 ILE 47 3HG2 ILE 47 8.749 -5.569 -6.778 379 1HD1 ILE 47 1HD1 ILE 47 11.492 -3.191 -8.929 380 2HD1 ILE 47 2HD1 ILE 47 12.362 -4.649 -9.466 381 3HD1 ILE 47 3HD1 ILE 47 10.634 -4.453 -9.846 382 H ARG 48 H ARG 48 12.796 -7.093 -5.516 383 HA ARG 48 HA ARG 48 10.759 -7.442 -3.471 384 1HB ARG 48 1HB ARG 48 12.514 -8.596 -2.062 385 2HB ARG 48 2HB ARG 48 12.083 -9.499 -3.501 386 1HG ARG 48 1HG ARG 48 14.436 -7.571 -3.507 387 2HG ARG 48 2HG ARG 48 14.619 -9.217 -2.934 388 1HD ARG 48 1HD ARG 48 13.195 -9.360 -5.427 389 2HD ARG 48 2HD ARG 48 14.535 -8.257 -5.671 390 HE ARG 48 HE ARG 48 14.717 -11.135 -5.067 391 1HH1 ARG 48 1HH1 ARG 48 16.424 -8.061 -5.199 392 2HH1 ARG 48 2HH1 ARG 48 17.992 -8.790 -5.305 393 1HH2 ARG 48 1HH2 ARG 48 16.785 -12.098 -5.207 394 2HH2 ARG 48 2HH2 ARG 48 18.198 -11.102 -5.309 395 H GLU 49 H GLU 49 11.567 -6.510 -1.263 396 HA GLU 49 HA GLU 49 11.953 -3.922 -1.353 397 1HB GLU 49 1HB GLU 49 13.512 -4.522 0.857 398 2HB GLU 49 2HB GLU 49 11.761 -4.445 0.846 399 1HG GLU 49 1HG GLU 49 11.510 -6.759 0.826 400 2HG GLU 49 2HG GLU 49 12.990 -7.026 -0.074 401 H GLY 50 H GLY 50 13.558 -2.392 -1.737 402 1HA GLY 50 1HA GLY 50 15.948 -1.903 -1.605 403 2HA GLY 50 2HA GLY 50 16.250 -3.461 -2.349 404 H ASP 51 H ASP 51 13.730 -3.081 -4.104 405 HA ASP 51 HA ASP 51 15.127 -1.929 -6.254 406 1HB ASP 51 1HB ASP 51 12.648 -3.402 -5.787 407 2HB ASP 51 2HB ASP 51 12.346 -2.067 -6.881 408 H ILE 52 H ILE 52 14.572 0.078 -7.396 409 HA ILE 52 HA ILE 52 13.306 2.028 -5.644 410 HB ILE 52 HB ILE 52 14.923 2.395 -8.168 411 1HG1 ILE 52 1HG1 ILE 52 16.225 3.332 -5.787 412 2HG1 ILE 52 2HG1 ILE 52 15.760 1.659 -5.548 413 1HG2 ILE 52 1HG2 ILE 52 13.434 4.263 -7.822 414 2HG2 ILE 52 2HG2 ILE 52 13.926 4.388 -6.115 415 3HG2 ILE 52 3HG2 ILE 52 15.097 4.747 -7.407 416 1HD1 ILE 52 1HD1 ILE 52 16.719 1.448 -8.076 417 2HD1 ILE 52 2HD1 ILE 52 17.684 2.838 -7.520 418 3HD1 ILE 52 3HD1 ILE 52 17.761 1.292 -6.641 419 H LEU 53 H LEU 53 11.276 2.775 -5.978 420 HA LEU 53 HA LEU 53 10.155 2.390 -8.659 421 1HB LEU 53 1HB LEU 53 8.271 2.091 -6.426 422 2HB LEU 53 2HB LEU 53 8.374 1.233 -7.950 423 HG LEU 53 HG LEU 53 10.045 0.705 -5.478 424 1HD1 LEU 53 1HD1 LEU 53 8.527 -1.547 -6.399 425 2HD1 LEU 53 2HD1 LEU 53 8.456 -0.700 -4.835 426 3HD1 LEU 53 3HD1 LEU 53 7.443 -0.151 -6.192 427 1HD2 LEU 53 1HD2 LEU 53 10.292 -1.415 -7.327 428 2HD2 LEU 53 2HD2 LEU 53 10.582 0.090 -8.233 429 3HD2 LEU 53 3HD2 LEU 53 11.546 -0.275 -6.782 430 H MET 54 H MET 54 8.235 3.845 -9.053 431 HA MET 54 HA MET 54 8.830 6.390 -7.801 432 1HB MET 54 1HB MET 54 6.910 5.993 -10.126 433 2HB MET 54 2HB MET 54 7.942 7.370 -9.793 434 1HG MET 54 1HG MET 54 9.673 5.099 -10.111 435 2HG MET 54 2HG MET 54 8.513 5.038 -11.423 436 1HE MET 54 1HE MET 54 9.808 8.848 -9.993 437 2HE MET 54 2HE MET 54 10.330 7.337 -9.210 438 3HE MET 54 3HE MET 54 11.457 8.232 -10.257 439 H LEU 55 H LEU 55 7.472 7.292 -6.307 440 HA LEU 55 HA LEU 55 4.857 6.018 -5.990 441 1HB LEU 55 1HB LEU 55 6.506 7.687 -4.086 442 2HB LEU 55 2HB LEU 55 4.912 7.046 -3.739 443 HG LEU 55 HG LEU 55 6.973 5.802 -2.832 444 1HD1 LEU 55 1HD1 LEU 55 5.626 4.041 -2.504 445 2HD1 LEU 55 2HD1 LEU 55 4.420 5.006 -3.389 446 3HD1 LEU 55 3HD1 LEU 55 5.377 3.774 -4.246 447 1HD2 LEU 55 1HD2 LEU 55 7.028 4.599 -5.605 448 2HD2 LEU 55 2HD2 LEU 55 8.160 5.861 -5.063 449 3HD2 LEU 55 3HD2 LEU 55 8.125 4.284 -4.239 450 H LEU 56 H LEU 56 3.239 7.023 -7.054 451 HA LEU 56 HA LEU 56 3.427 9.939 -7.294 452 1HB LEU 56 1HB LEU 56 2.229 9.812 -9.266 453 2HB LEU 56 2HB LEU 56 3.341 8.461 -9.350 454 HG LEU 56 HG LEU 56 0.590 7.956 -8.284 455 1HD1 LEU 56 1HD1 LEU 56 1.229 8.409 -11.209 456 2HD1 LEU 56 2HD1 LEU 56 -0.231 7.583 -10.612 457 3HD1 LEU 56 3HD1 LEU 56 0.057 9.291 -10.201 458 1HD2 LEU 56 1HD2 LEU 56 1.158 5.905 -9.931 459 2HD2 LEU 56 2HD2 LEU 56 2.810 6.421 -9.516 460 3HD2 LEU 56 3HD2 LEU 56 1.667 5.970 -8.227 461 H ASP 57 H ASP 57 1.654 11.260 -6.695 462 HA ASP 57 HA ASP 57 0.371 10.539 -4.424 463 1HB ASP 57 1HB ASP 57 0.512 12.861 -5.133 464 2HB ASP 57 2HB ASP 57 -0.390 12.532 -6.599 465 H THR 58 H THR 58 -1.349 9.131 -4.029 466 HA THR 58 HA THR 58 -2.765 8.029 -6.301 467 HB THR 58 HB THR 58 -3.759 6.641 -4.306 468 HG1 THR 58 HG1 THR 58 -2.827 7.190 -2.337 469 1HG2 THR 58 1HG2 THR 58 -2.111 5.294 -5.207 470 2HG2 THR 58 2HG2 THR 58 -0.974 6.653 -5.383 471 3HG2 THR 58 3HG2 THR 58 -1.158 5.844 -3.808 472 H ILE 59 H ILE 59 -4.617 8.776 -7.102 473 HA ILE 59 HA ILE 59 -6.001 10.828 -5.623 474 HB ILE 59 HB ILE 59 -6.443 9.625 -8.357 475 1HG1 ILE 59 1HG1 ILE 59 -5.583 12.431 -8.094 476 2HG1 ILE 59 2HG1 ILE 59 -4.402 11.270 -7.523 477 1HG2 ILE 59 1HG2 ILE 59 -8.460 10.668 -7.074 478 2HG2 ILE 59 2HG2 ILE 59 -7.657 12.213 -7.442 479 3HG2 ILE 59 3HG2 ILE 59 -8.147 11.127 -8.764 480 1HD1 ILE 59 1HD1 ILE 59 -3.843 11.312 -9.777 481 2HD1 ILE 59 2HD1 ILE 59 -5.048 10.002 -9.800 482 3HD1 ILE 59 3HD1 ILE 59 -5.514 11.648 -10.292 483 H ARG 60 H ARG 60 -7.693 10.497 -4.284 484 HA ARG 60 HA ARG 60 -8.584 7.869 -3.879 485 1HB ARG 60 1HB ARG 60 -10.101 8.901 -2.198 486 2HB ARG 60 2HB ARG 60 -8.479 9.547 -2.050 487 1HG ARG 60 1HG ARG 60 -9.393 11.618 -2.227 488 2HG ARG 60 2HG ARG 60 -9.682 11.263 -3.919 489 1HD ARG 60 1HD ARG 60 -11.906 10.215 -3.256 490 2HD ARG 60 2HD ARG 60 -11.620 10.749 -1.612 491 HE ARG 60 HE ARG 60 -11.280 13.023 -3.265 492 1HH1 ARG 60 1HH1 ARG 60 -13.859 10.796 -2.386 493 2HH1 ARG 60 2HH1 ARG 60 -15.118 11.963 -2.613 494 1HH2 ARG 60 1HH2 ARG 60 -12.942 14.563 -3.565 495 2HH2 ARG 60 2HH2 ARG 60 -14.593 14.120 -3.289 496 H GLU 61 H GLU 61 -10.789 7.029 -4.183 497 HA GLU 61 HA GLU 61 -11.936 8.048 -6.593 498 1HB GLU 61 1HB GLU 61 -11.866 5.530 -5.182 499 2HB GLU 61 2HB GLU 61 -13.544 5.959 -5.450 500 1HG GLU 61 1HG GLU 61 -13.010 4.834 -7.445 501 2HG GLU 61 2HG GLU 61 -12.784 6.510 -7.907 502 H ALA 62 H ALA 62 -14.195 8.700 -6.835 503 HA ALA 62 HA ALA 62 -15.065 10.295 -4.636 504 1HB ALA 62 1HB ALA 62 -16.942 9.872 -6.868 505 2HB ALA 62 2HB ALA 62 -16.219 11.378 -6.252 506 3HB ALA 62 3HB ALA 62 -15.312 10.358 -7.394 507 H LYS 63 H LYS 63 -16.621 9.860 -3.115 508 HA LYS 63 HA LYS 63 -17.792 7.185 -3.260 509 1HB LYS 63 1HB LYS 63 -16.494 7.543 -1.279 510 2HB LYS 63 2HB LYS 63 -17.272 9.079 -0.957 511 1HG LYS 63 1HG LYS 63 -19.388 7.181 -1.189 512 2HG LYS 63 2HG LYS 63 -18.149 6.392 -0.232 513 1HD LYS 63 1HD LYS 63 -18.905 7.570 1.555 514 2HD LYS 63 2HD LYS 63 -18.218 9.002 0.814 515 1HE LYS 63 1HE LYS 63 -20.329 9.838 0.705 516 2HE LYS 63 2HE LYS 63 -20.647 8.669 -0.561 517 1HZ LYS 63 1HZ LYS 63 -20.973 8.112 2.306 518 2HZ LYS 63 2HZ LYS 63 -22.192 8.530 1.302 519 3HZ LYS 63 3HZ LYS 63 -21.391 7.125 1.074 520 H GLU 64 H GLU 64 -19.886 6.945 -3.820 521 HA GLU 64 HA GLU 64 -21.460 9.365 -3.956 522 1HB GLU 64 1HB GLU 64 -22.990 8.038 -5.365 523 2HB GLU 64 2HB GLU 64 -21.346 7.927 -5.963 524 1HG GLU 64 1HG GLU 64 -22.168 5.843 -3.968 525 2HG GLU 64 2HG GLU 64 -22.935 5.749 -5.541 526 H ILE 65 H ILE 65 -23.562 9.560 -2.966 527 HA ILE 65 HA ILE 65 -23.800 7.884 -0.596 528 HB ILE 65 HB ILE 65 -25.045 10.516 -1.389 529 1HG1 ILE 65 1HG1 ILE 65 -23.515 10.509 1.059 530 2HG1 ILE 65 2HG1 ILE 65 -22.539 9.863 -0.245 531 1HG2 ILE 65 1HG2 ILE 65 -25.949 8.558 0.532 532 2HG2 ILE 65 2HG2 ILE 65 -25.461 10.062 1.349 533 3HG2 ILE 65 3HG2 ILE 65 -26.681 10.108 0.053 534 1HD1 ILE 65 1HD1 ILE 65 -22.300 12.313 -0.143 535 2HD1 ILE 65 2HD1 ILE 65 -23.114 11.849 -1.656 536 3HD1 ILE 65 3HD1 ILE 65 -24.062 12.509 -0.303 537 H ARG 66 H ARG 66 -25.429 6.419 -0.285 538 HA ARG 66 HA ARG 66 -27.104 5.990 -2.583 539 1HB ARG 66 1HB ARG 66 -25.751 4.233 -0.992 540 2HB ARG 66 2HB ARG 66 -27.290 4.223 -0.154 541 1HG ARG 66 1HG ARG 66 -27.368 3.978 -3.152 542 2HG ARG 66 2HG ARG 66 -26.768 2.596 -2.258 543 1HD ARG 66 1HD ARG 66 -28.823 2.242 -1.146 544 2HD ARG 66 2HD ARG 66 -29.335 3.907 -1.336 545 HE ARG 66 HE ARG 66 -30.117 3.422 -3.512 546 1HH1 ARG 66 1HH1 ARG 66 -28.258 0.713 -2.251 547 2HH1 ARG 66 2HH1 ARG 66 -28.745 -0.372 -3.510 548 1HH2 ARG 66 1HH2 ARG 66 -30.759 1.991 -5.173 549 2HH2 ARG 66 2HH2 ARG 66 -30.177 0.360 -5.184 550 H THR 67 H THR 67 -29.435 5.948 -2.479 551 HA THR 67 HA THR 67 -30.509 7.318 -0.106 552 HB THR 67 HB THR 67 -32.276 8.082 -1.718 553 HG1 THR 67 HG1 THR 67 -31.744 7.457 -4.007 554 1HG2 THR 67 1HG2 THR 67 -29.884 9.235 -1.572 555 2HG2 THR 67 2HG2 THR 67 -29.639 8.487 -3.169 556 3HG2 THR 67 3HG2 THR 67 -30.966 9.648 -2.924 557 HA PRO 68 HA PRO 68 -32.837 3.833 0.821 558 1HB PRO 68 1HB PRO 68 -34.788 4.932 2.387 559 2HB PRO 68 2HB PRO 68 -33.181 4.560 2.978 560 1HG PRO 68 1HG PRO 68 -34.346 7.193 2.307 561 2HG PRO 68 2HG PRO 68 -32.933 6.834 3.279 562 1HD PRO 68 1HD PRO 68 -32.957 7.800 0.579 563 2HD PRO 68 2HD PRO 68 -31.550 7.331 1.511 Start of MODEL 8 1 HA MET 1 HA MET 1 11.655 12.274 -9.914 2 1HB MET 1 1HB MET 1 12.448 13.884 -12.302 3 2HB MET 1 2HB MET 1 12.646 14.743 -10.788 4 1HG MET 1 1HG MET 1 14.167 13.108 -9.916 5 2HG MET 1 2HG MET 1 13.689 11.903 -11.096 6 1HE MET 1 1HE MET 1 16.665 15.185 -11.242 7 2HE MET 1 2HE MET 1 15.756 14.413 -9.920 8 3HE MET 1 3HE MET 1 17.113 13.554 -10.689 9 H ASP 2 H ASP 2 10.139 14.981 -11.827 10 HA ASP 2 HA ASP 2 9.388 16.279 -9.419 11 1HB ASP 2 1HB ASP 2 8.972 16.756 -12.379 12 2HB ASP 2 2HB ASP 2 8.001 17.662 -11.236 13 H ASP 3 H ASP 3 7.986 14.059 -11.821 14 HA ASP 3 HA ASP 3 5.320 14.518 -10.865 15 1HB ASP 3 1HB ASP 3 6.372 12.405 -12.804 16 2HB ASP 3 2HB ASP 3 4.688 12.823 -12.560 17 H ALA 4 H ALA 4 7.941 12.030 -10.835 18 HA ALA 4 HA ALA 4 6.406 10.565 -8.798 19 1HB ALA 4 1HB ALA 4 8.153 8.717 -9.751 20 2HB ALA 4 2HB ALA 4 6.516 8.949 -10.410 21 3HB ALA 4 3HB ALA 4 7.915 9.699 -11.216 22 H THR 5 H THR 5 7.548 9.860 -6.937 23 HA THR 5 HA THR 5 10.067 11.308 -6.537 24 HB THR 5 HB THR 5 7.651 10.834 -4.991 25 HG1 THR 5 HG1 THR 5 8.540 12.734 -4.240 26 1HG2 THR 5 1HG2 THR 5 9.160 8.917 -4.063 27 2HG2 THR 5 2HG2 THR 5 10.238 10.214 -3.496 28 3HG2 THR 5 3HG2 THR 5 8.569 10.114 -2.887 29 HA PRO 6 HA PRO 6 12.272 7.619 -6.595 30 1HB PRO 6 1HB PRO 6 14.614 8.469 -5.473 31 2HB PRO 6 2HB PRO 6 14.212 8.721 -7.160 32 1HG PRO 6 1HG PRO 6 14.197 10.673 -4.940 33 2HG PRO 6 2HG PRO 6 14.219 10.974 -6.666 34 1HD PRO 6 1HD PRO 6 11.962 11.208 -4.912 35 2HD PRO 6 2HD PRO 6 11.959 11.396 -6.654 36 H ALA 7 H ALA 7 11.527 5.947 -5.445 37 HA ALA 7 HA ALA 7 12.240 6.073 -2.601 38 1HB ALA 7 1HB ALA 7 9.920 6.543 -2.573 39 2HB ALA 7 2HB ALA 7 9.582 5.392 -3.887 40 3HB ALA 7 3HB ALA 7 10.018 4.792 -2.270 41 H GLU 8 H GLU 8 12.500 3.912 -1.609 42 HA GLU 8 HA GLU 8 13.131 1.937 -3.664 43 1HB GLU 8 1HB GLU 8 14.550 2.317 -0.991 44 2HB GLU 8 2HB GLU 8 14.981 1.159 -2.234 45 1HG GLU 8 1HG GLU 8 14.794 3.921 -3.275 46 2HG GLU 8 2HG GLU 8 15.983 3.764 -1.997 47 H VAL 9 H VAL 9 12.288 -0.130 -3.401 48 HA VAL 9 HA VAL 9 10.098 -0.521 -1.808 49 HB VAL 9 HB VAL 9 12.026 -2.648 -2.754 50 1HG1 VAL 9 1HG1 VAL 9 10.370 -4.181 -2.455 51 2HG1 VAL 9 2HG1 VAL 9 9.849 -3.016 -1.215 52 3HG1 VAL 9 3HG1 VAL 9 9.072 -3.018 -2.817 53 1HG2 VAL 9 1HG2 VAL 9 9.997 -1.000 -4.264 54 2HG2 VAL 9 2HG2 VAL 9 11.683 -1.380 -4.691 55 3HG2 VAL 9 3HG2 VAL 9 10.432 -2.643 -4.795 56 H ILE 10 H ILE 10 9.739 -0.964 0.318 57 HA ILE 10 HA ILE 10 12.129 -1.542 1.920 58 HB ILE 10 HB ILE 10 10.953 -0.512 3.776 59 1HG1 ILE 10 1HG1 ILE 10 8.767 0.374 1.896 60 2HG1 ILE 10 2HG1 ILE 10 8.639 -1.129 2.787 61 1HG2 ILE 10 1HG2 ILE 10 11.240 1.738 3.128 62 2HG2 ILE 10 2HG2 ILE 10 12.374 0.799 2.128 63 3HG2 ILE 10 3HG2 ILE 10 10.846 1.386 1.428 64 1HD1 ILE 10 1HD1 ILE 10 8.800 0.010 4.920 65 2HD1 ILE 10 2HD1 ILE 10 9.252 1.539 4.130 66 3HD1 ILE 10 3HD1 ILE 10 7.605 0.893 3.940 67 H GLU 11 H GLU 11 8.720 -2.409 1.212 68 HA GLU 11 HA GLU 11 9.277 -4.932 2.551 69 1HB GLU 11 1HB GLU 11 7.846 -3.999 4.144 70 2HB GLU 11 2HB GLU 11 6.953 -3.063 2.961 71 1HG GLU 11 1HG GLU 11 5.539 -4.898 3.759 72 2HG GLU 11 2HG GLU 11 5.928 -5.169 2.072 73 H VAL 12 H VAL 12 8.273 -6.799 1.582 74 HA VAL 12 HA VAL 12 7.017 -6.236 -1.013 75 HB VAL 12 HB VAL 12 9.106 -6.958 -1.650 76 1HG1 VAL 12 1HG1 VAL 12 9.160 -9.116 0.477 77 2HG1 VAL 12 2HG1 VAL 12 10.504 -8.534 -0.535 78 3HG1 VAL 12 3HG1 VAL 12 9.819 -7.481 0.726 79 1HG2 VAL 12 1HG2 VAL 12 7.711 -9.630 -1.336 80 2HG2 VAL 12 2HG2 VAL 12 7.224 -8.407 -2.534 81 3HG2 VAL 12 3HG2 VAL 12 8.850 -9.127 -2.607 82 H LEU 13 H LEU 13 5.184 -7.433 -1.506 83 HA LEU 13 HA LEU 13 4.282 -9.196 0.659 84 1HB LEU 13 1HB LEU 13 2.469 -7.961 -1.380 85 2HB LEU 13 2HB LEU 13 2.096 -8.555 0.226 86 HG LEU 13 HG LEU 13 3.968 -6.400 0.485 87 1HD1 LEU 13 1HD1 LEU 13 3.144 -4.644 -0.714 88 2HD1 LEU 13 2HD1 LEU 13 2.822 -5.962 -1.866 89 3HD1 LEU 13 3HD1 LEU 13 1.510 -5.340 -0.835 90 1HD2 LEU 13 1HD2 LEU 13 1.365 -7.249 1.512 91 2HD2 LEU 13 2HD2 LEU 13 2.715 -6.428 2.330 92 3HD2 LEU 13 3HD2 LEU 13 1.532 -5.481 1.398 93 H LYS 14 H LYS 14 4.491 -11.320 0.227 94 HA LYS 14 HA LYS 14 4.020 -12.143 -2.551 95 1HB LYS 14 1HB LYS 14 6.484 -12.121 -1.693 96 2HB LYS 14 2HB LYS 14 6.016 -13.544 -0.785 97 1HG LYS 14 1HG LYS 14 6.951 -14.186 -2.984 98 2HG LYS 14 2HG LYS 14 5.271 -14.668 -2.866 99 1HD LYS 14 1HD LYS 14 4.696 -13.367 -4.637 100 2HD LYS 14 2HD LYS 14 5.431 -11.952 -3.911 101 1HE LYS 14 1HE LYS 14 6.480 -12.551 -6.108 102 2HE LYS 14 2HE LYS 14 7.637 -12.563 -4.793 103 1HZ LYS 14 1HZ LYS 14 7.081 -14.620 -6.484 104 2HZ LYS 14 2HZ LYS 14 7.996 -14.696 -5.133 105 3HZ LYS 14 3HZ LYS 14 6.410 -15.080 -5.067 106 H ARG 15 H ARG 15 2.476 -13.688 -2.793 107 HA ARG 15 HA ARG 15 1.762 -15.132 -0.371 108 1HB ARG 15 1HB ARG 15 0.146 -13.254 -1.815 109 2HB ARG 15 2HB ARG 15 -0.522 -14.837 -2.162 110 1HG ARG 15 1HG ARG 15 -1.554 -14.765 -0.144 111 2HG ARG 15 2HG ARG 15 0.022 -14.920 0.607 112 1HD ARG 15 1HD ARG 15 0.242 -12.582 0.948 113 2HD ARG 15 2HD ARG 15 -0.917 -12.186 -0.305 114 HE ARG 15 HE ARG 15 -2.480 -13.565 1.476 115 1HH1 ARG 15 1HH1 ARG 15 -0.208 -10.911 1.894 116 2HH1 ARG 15 2HH1 ARG 15 -1.039 -10.246 3.261 117 1HH2 ARG 15 1HH2 ARG 15 -3.576 -12.689 3.279 118 2HH2 ARG 15 2HH2 ARG 15 -2.968 -11.265 4.055 119 H THR 16 H THR 16 2.566 -17.181 -0.852 120 HA THR 16 HA THR 16 3.129 -18.973 -2.104 121 HB THR 16 HB THR 16 0.115 -18.603 -2.418 122 HG1 THR 16 HG1 THR 16 0.661 -19.155 -0.307 123 1HG2 THR 16 1HG2 THR 16 -0.112 -20.703 -3.389 124 2HG2 THR 16 2HG2 THR 16 1.471 -20.292 -4.091 125 3HG2 THR 16 3HG2 THR 16 1.381 -21.316 -2.638 126 H GLY 17 H GLY 17 4.599 -18.274 -3.644 127 1HA GLY 17 1HA GLY 17 4.043 -16.842 -5.939 128 2HA GLY 17 2HA GLY 17 5.367 -17.972 -5.734 129 H MET 18 H MET 18 1.984 -17.586 -6.822 130 HA MET 18 HA MET 18 2.291 -19.345 -8.907 131 1HB MET 18 1HB MET 18 2.209 -20.881 -6.693 132 2HB MET 18 2HB MET 18 0.482 -20.611 -6.820 133 1HG MET 18 1HG MET 18 1.313 -21.261 -9.459 134 2HG MET 18 2HG MET 18 2.196 -22.365 -8.423 135 1HE MET 18 1HE MET 18 1.520 -24.374 -8.304 136 2HE MET 18 2HE MET 18 -0.103 -25.063 -8.053 137 3HE MET 18 3HE MET 18 0.389 -24.510 -9.672 138 H THR 19 H THR 19 -0.165 -18.443 -6.380 139 HA THR 19 HA THR 19 -2.196 -18.094 -8.389 140 HB THR 19 HB THR 19 -1.985 -17.725 -5.366 141 HG1 THR 19 HG1 THR 19 -2.366 -19.873 -5.912 142 1HG2 THR 19 1HG2 THR 19 -3.748 -16.221 -6.873 143 2HG2 THR 19 2HG2 THR 19 -4.667 -17.733 -6.679 144 3HG2 THR 19 3HG2 THR 19 -4.115 -16.836 -5.244 145 H GLY 20 H GLY 20 -2.733 -16.310 -9.494 146 1HA GLY 20 1HA GLY 20 -3.102 -13.930 -9.433 147 2HA GLY 20 2HA GLY 20 -1.607 -13.749 -8.537 148 H GLU 21 H GLU 21 -1.677 -12.164 -10.668 149 HA GLU 21 HA GLU 21 -0.316 -13.649 -12.774 150 1HB GLU 21 1HB GLU 21 -2.452 -12.375 -13.347 151 2HB GLU 21 2HB GLU 21 -1.594 -10.891 -12.987 152 1HG GLU 21 1HG GLU 21 -1.601 -11.535 -15.447 153 2HG GLU 21 2HG GLU 21 -0.008 -11.250 -14.774 154 H VAL 22 H VAL 22 -0.342 -10.395 -11.140 155 HA VAL 22 HA VAL 22 2.570 -10.347 -11.534 156 HB VAL 22 HB VAL 22 2.480 -8.051 -11.806 157 1HG1 VAL 22 1HG1 VAL 22 -0.189 -8.749 -13.034 158 2HG1 VAL 22 2HG1 VAL 22 1.099 -7.696 -13.667 159 3HG1 VAL 22 3HG1 VAL 22 1.326 -9.461 -13.638 160 1HG2 VAL 22 1HG2 VAL 22 -0.289 -8.127 -10.569 161 2HG2 VAL 22 2HG2 VAL 22 1.189 -7.404 -9.890 162 3HG2 VAL 22 3HG2 VAL 22 0.424 -6.682 -11.325 163 H MET 23 H MET 23 3.899 -9.788 -9.759 164 HA MET 23 HA MET 23 2.659 -10.376 -7.249 165 1HB MET 23 1HB MET 23 4.812 -11.399 -7.626 166 2HB MET 23 2HB MET 23 5.504 -9.915 -8.250 167 1HG MET 23 1HG MET 23 4.529 -9.496 -5.524 168 2HG MET 23 2HG MET 23 5.615 -10.871 -5.570 169 1HE MET 23 1HE MET 23 8.946 -9.710 -6.187 170 2HE MET 23 2HE MET 23 7.735 -11.012 -6.280 171 3HE MET 23 3HE MET 23 8.123 -10.051 -7.728 172 H GLN 24 H GLN 24 2.522 -8.984 -5.428 173 HA GLN 24 HA GLN 24 2.800 -6.183 -6.151 174 1HB GLN 24 1HB GLN 24 1.135 -5.702 -4.489 175 2HB GLN 24 2HB GLN 24 0.555 -7.094 -5.381 176 1HG GLN 24 1HG GLN 24 2.099 -8.231 -3.320 177 2HG GLN 24 2HG GLN 24 1.305 -6.878 -2.539 178 1HE2 GLN 24 1HE2 GLN 24 -0.553 -7.318 -1.659 179 2HE2 GLN 24 2HE2 GLN 24 -1.711 -8.501 -2.167 180 H VAL 25 H VAL 25 4.116 -4.770 -4.968 181 HA VAL 25 HA VAL 25 5.525 -5.962 -2.686 182 HB VAL 25 HB VAL 25 6.734 -5.807 -5.012 183 1HG1 VAL 25 1HG1 VAL 25 7.189 -3.003 -3.939 184 2HG1 VAL 25 2HG1 VAL 25 7.920 -3.730 -5.391 185 3HG1 VAL 25 3HG1 VAL 25 6.171 -3.404 -5.344 186 1HG2 VAL 25 1HG2 VAL 25 7.880 -5.021 -2.323 187 2HG2 VAL 25 2HG2 VAL 25 7.897 -6.616 -3.112 188 3HG2 VAL 25 3HG2 VAL 25 8.895 -5.292 -3.760 189 H LYS 26 H LYS 26 6.462 -4.277 -1.207 190 HA LYS 26 HA LYS 26 4.724 -1.911 -1.243 191 1HB LYS 26 1HB LYS 26 4.582 -3.722 0.633 192 2HB LYS 26 2HB LYS 26 6.062 -2.997 1.227 193 1HG LYS 26 1HG LYS 26 4.685 -0.715 0.882 194 2HG LYS 26 2HG LYS 26 3.304 -1.786 1.017 195 1HD LYS 26 1HD LYS 26 5.573 -1.687 3.059 196 2HD LYS 26 2HD LYS 26 4.083 -0.780 3.221 197 1HE LYS 26 1HE LYS 26 2.754 -2.837 3.290 198 2HE LYS 26 2HE LYS 26 4.152 -3.814 2.886 199 1HZ LYS 26 1HZ LYS 26 5.075 -3.440 4.949 200 2HZ LYS 26 2HZ LYS 26 4.170 -2.119 5.266 201 3HZ LYS 26 3HZ LYS 26 3.490 -3.603 5.306 202 H CYS 27 H CYS 27 5.632 0.133 -1.085 203 HA CYS 27 HA CYS 27 8.517 0.237 -0.701 204 1HB CYS 27 1HB CYS 27 8.800 1.744 -2.625 205 2HB CYS 27 2HB CYS 27 8.259 0.152 -3.119 206 HG CYS 27 HG CYS 27 5.625 0.887 -2.976 207 H ARG 28 H ARG 28 9.185 2.225 0.291 208 HA ARG 28 HA ARG 28 6.933 3.887 1.092 209 1HB ARG 28 1HB ARG 28 8.003 2.644 2.977 210 2HB ARG 28 2HB ARG 28 9.558 3.339 2.567 211 1HG ARG 28 1HG ARG 28 7.618 5.482 2.831 212 2HG ARG 28 2HG ARG 28 7.519 4.455 4.247 213 1HD ARG 28 1HD ARG 28 10.317 4.941 3.481 214 2HD ARG 28 2HD ARG 28 9.462 6.447 3.743 215 HE ARG 28 HE ARG 28 9.175 5.894 6.028 216 1HH1 ARG 28 1HH1 ARG 28 10.509 3.165 4.251 217 2HH1 ARG 28 2HH1 ARG 28 10.920 2.273 5.677 218 1HH2 ARG 28 1HH2 ARG 28 9.717 4.717 7.910 219 2HH2 ARG 28 2HH2 ARG 28 10.466 3.161 7.773 220 H ILE 29 H ILE 29 7.152 6.170 0.898 221 HA ILE 29 HA ILE 29 8.835 7.122 -1.076 222 HB ILE 29 HB ILE 29 7.125 8.350 1.041 223 1HG1 ILE 29 1HG1 ILE 29 7.066 7.953 -1.916 224 2HG1 ILE 29 2HG1 ILE 29 5.799 7.735 -0.725 225 1HG2 ILE 29 1HG2 ILE 29 9.166 9.767 0.895 226 2HG2 ILE 29 2HG2 ILE 29 8.844 9.984 -0.842 227 3HG2 ILE 29 3HG2 ILE 29 7.679 10.586 0.361 228 1HD1 ILE 29 1HD1 ILE 29 5.623 10.211 -0.450 229 2HD1 ILE 29 2HD1 ILE 29 6.896 10.422 -1.676 230 3HD1 ILE 29 3HD1 ILE 29 5.331 9.710 -2.133 231 H LEU 30 H LEU 30 10.834 8.158 -1.112 232 HA LEU 30 HA LEU 30 12.312 7.963 1.418 233 1HB LEU 30 1HB LEU 30 13.208 7.708 -1.451 234 2HB LEU 30 2HB LEU 30 14.322 7.904 -0.112 235 HG LEU 30 HG LEU 30 12.373 5.610 -0.472 236 1HD1 LEU 30 1HD1 LEU 30 14.512 4.283 -0.735 237 2HD1 LEU 30 2HD1 LEU 30 14.085 5.361 -2.085 238 3HD1 LEU 30 3HD1 LEU 30 15.352 5.841 -0.930 239 1HD2 LEU 30 1HD2 LEU 30 14.241 6.351 1.760 240 2HD2 LEU 30 2HD2 LEU 30 12.565 5.753 1.826 241 3HD2 LEU 30 3HD2 LEU 30 13.891 4.641 1.411 242 H ASP 31 H ASP 31 10.859 10.084 -0.853 243 HA ASP 31 HA ASP 31 11.941 12.297 0.541 244 1HB ASP 31 1HB ASP 31 12.356 12.996 -2.217 245 2HB ASP 31 2HB ASP 31 13.536 12.965 -0.922 246 H GLY 32 H GLY 32 10.664 14.268 0.028 247 1HA GLY 32 1HA GLY 32 9.069 15.189 -1.663 248 2HA GLY 32 2HA GLY 32 8.221 13.662 -1.526 249 H ARG 33 H ARG 33 6.894 16.077 -0.979 250 HA ARG 33 HA ARG 33 7.025 16.843 1.668 251 1HB ARG 33 1HB ARG 33 5.900 18.201 -0.057 252 2HB ARG 33 2HB ARG 33 4.713 16.941 -0.332 253 1HG ARG 33 1HG ARG 33 3.767 18.717 1.104 254 2HG ARG 33 2HG ARG 33 3.853 17.203 1.982 255 1HD ARG 33 1HD ARG 33 5.263 18.087 3.536 256 2HD ARG 33 2HD ARG 33 6.352 18.691 2.303 257 HE ARG 33 HE ARG 33 3.891 20.269 2.560 258 1HH1 ARG 33 1HH1 ARG 33 7.180 19.831 3.732 259 2HH1 ARG 33 2HH1 ARG 33 7.327 21.457 4.309 260 1HH2 ARG 33 1HH2 ARG 33 4.085 22.415 3.321 261 2HH2 ARG 33 2HH2 ARG 33 5.555 22.937 4.073 262 H ASP 34 H ASP 34 5.811 13.958 0.179 263 HA ASP 34 HA ASP 34 4.010 13.452 2.388 264 1HB ASP 34 1HB ASP 34 4.566 12.016 -0.243 265 2HB ASP 34 2HB ASP 34 3.548 11.314 0.998 266 H LYS 35 H LYS 35 7.222 13.366 2.027 267 HA LYS 35 HA LYS 35 8.438 11.089 2.109 268 1HB LYS 35 1HB LYS 35 8.956 13.545 3.198 269 2HB LYS 35 2HB LYS 35 8.939 12.541 4.634 270 1HG LYS 35 1HG LYS 35 10.617 11.030 3.680 271 2HG LYS 35 2HG LYS 35 10.529 11.835 2.126 272 1HD LYS 35 1HD LYS 35 11.372 13.262 4.689 273 2HD LYS 35 2HD LYS 35 12.516 12.496 3.604 274 1HE LYS 35 1HE LYS 35 12.201 14.080 1.914 275 2HE LYS 35 2HE LYS 35 10.542 14.406 2.374 276 1HZ LYS 35 1HZ LYS 35 12.988 15.465 3.520 277 2HZ LYS 35 2HZ LYS 35 11.599 16.239 3.146 278 3HZ LYS 35 3HZ LYS 35 11.684 15.319 4.493 279 H GLY 36 H GLY 36 8.465 9.105 3.100 280 1HA GLY 36 1HA GLY 36 8.061 7.588 4.786 281 2HA GLY 36 2HA GLY 36 7.042 8.747 5.615 282 H ARG 37 H ARG 37 5.946 9.117 2.557 283 HA ARG 37 HA ARG 37 3.602 7.746 3.045 284 1HB ARG 37 1HB ARG 37 4.577 9.595 1.136 285 2HB ARG 37 2HB ARG 37 4.117 8.201 0.179 286 1HG ARG 37 1HG ARG 37 1.929 8.298 1.758 287 2HG ARG 37 2HG ARG 37 2.394 9.982 1.894 288 1HD ARG 37 1HD ARG 37 2.449 10.137 -0.629 289 2HD ARG 37 2HD ARG 37 1.899 8.476 -0.722 290 HE ARG 37 HE ARG 37 0.280 10.810 -0.031 291 1HH1 ARG 37 1HH1 ARG 37 0.560 7.318 0.305 292 2HH1 ARG 37 2HH1 ARG 37 -1.134 7.081 0.579 293 1HH2 ARG 37 1HH2 ARG 37 -1.955 10.497 0.330 294 2HH2 ARG 37 2HH2 ARG 37 -2.574 8.901 0.594 295 H ILE 38 H ILE 38 2.985 5.624 2.662 296 HA ILE 38 HA ILE 38 4.790 4.035 0.972 297 HB ILE 38 HB ILE 38 3.309 3.170 3.458 298 1HG1 ILE 38 1HG1 ILE 38 6.153 2.858 3.620 299 2HG1 ILE 38 2HG1 ILE 38 5.808 4.512 3.158 300 1HG2 ILE 38 1HG2 ILE 38 5.070 1.663 1.517 301 2HG2 ILE 38 2HG2 ILE 38 4.703 1.086 3.160 302 3HG2 ILE 38 3HG2 ILE 38 3.387 1.315 1.983 303 1HD1 ILE 38 1HD1 ILE 38 4.378 4.857 5.077 304 2HD1 ILE 38 2HD1 ILE 38 4.373 3.118 5.458 305 3HD1 ILE 38 3HD1 ILE 38 5.860 4.071 5.673 306 H LEU 39 H LEU 39 3.866 3.127 -0.791 307 HA LEU 39 HA LEU 39 0.970 2.712 -0.709 308 1HB LEU 39 1HB LEU 39 2.445 3.975 -3.022 309 2HB LEU 39 2HB LEU 39 0.731 3.618 -2.939 310 HG LEU 39 HG LEU 39 0.572 5.236 -1.004 311 1HD1 LEU 39 1HD1 LEU 39 3.438 5.246 -1.348 312 2HD1 LEU 39 2HD1 LEU 39 2.780 6.890 -1.531 313 3HD1 LEU 39 3HD1 LEU 39 2.444 5.956 -0.054 314 1HD2 LEU 39 1HD2 LEU 39 1.421 6.221 -3.737 315 2HD2 LEU 39 2HD2 LEU 39 -0.229 5.908 -3.148 316 3HD2 LEU 39 3HD2 LEU 39 0.713 7.261 -2.478 317 H THR 40 H THR 40 0.293 0.793 -1.625 318 HA THR 40 HA THR 40 2.460 -0.898 -2.672 319 HB THR 40 HB THR 40 -0.175 -2.031 -1.778 320 HG1 THR 40 HG1 THR 40 0.067 -0.764 0.039 321 1HG2 THR 40 1HG2 THR 40 1.710 -3.335 -0.359 322 2HG2 THR 40 2HG2 THR 40 1.390 -3.758 -2.058 323 3HG2 THR 40 3HG2 THR 40 2.767 -2.708 -1.647 324 H ARG 41 H ARG 41 2.348 -1.851 -4.659 325 HA ARG 41 HA ARG 41 -0.139 -1.534 -6.087 326 1HB ARG 41 1HB ARG 41 2.510 -0.281 -6.828 327 2HB ARG 41 2HB ARG 41 1.503 -0.882 -8.130 328 1HG ARG 41 1HG ARG 41 0.495 1.169 -8.012 329 2HG ARG 41 2HG ARG 41 -0.375 0.482 -6.655 330 1HD ARG 41 1HD ARG 41 0.864 1.656 -5.075 331 2HD ARG 41 2HD ARG 41 2.331 1.620 -6.033 332 HE ARG 41 HE ARG 41 0.201 3.638 -6.167 333 1HH1 ARG 41 1HH1 ARG 41 2.949 2.206 -7.835 334 2HH1 ARG 41 2HH1 ARG 41 3.224 3.590 -8.839 335 1HH2 ARG 41 1HH2 ARG 41 0.563 5.464 -7.492 336 2HH2 ARG 41 2HH2 ARG 41 1.858 5.456 -8.643 337 H ASN 42 H ASN 42 -0.238 -2.968 -8.049 338 HA ASN 42 HA ASN 42 1.265 -5.351 -7.528 339 1HB ASN 42 1HB ASN 42 -0.726 -4.934 -9.800 340 2HB ASN 42 2HB ASN 42 -0.310 -6.439 -9.004 341 1HD2 ASN 42 1HD2 ASN 42 -1.983 -3.378 -8.720 342 2HD2 ASN 42 2HD2 ASN 42 -3.032 -3.791 -7.405 343 H VAL 43 H VAL 43 2.999 -6.053 -8.829 344 HA VAL 43 HA VAL 43 3.306 -4.854 -11.463 345 HB VAL 43 HB VAL 43 4.559 -3.339 -10.162 346 1HG1 VAL 43 1HG1 VAL 43 6.551 -4.765 -8.811 347 2HG1 VAL 43 2HG1 VAL 43 5.158 -3.925 -8.089 348 3HG1 VAL 43 3HG1 VAL 43 5.049 -5.659 -8.475 349 1HG2 VAL 43 1HG2 VAL 43 6.854 -3.693 -10.936 350 2HG2 VAL 43 2HG2 VAL 43 6.498 -5.408 -11.251 351 3HG2 VAL 43 3HG2 VAL 43 5.684 -4.141 -12.201 352 H MET 44 H MET 44 4.397 -6.210 -12.939 353 HA MET 44 HA MET 44 4.597 -8.926 -11.977 354 1HB MET 44 1HB MET 44 3.339 -8.124 -14.129 355 2HB MET 44 2HB MET 44 4.923 -7.897 -14.842 356 1HG MET 44 1HG MET 44 5.441 -10.230 -14.745 357 2HG MET 44 2HG MET 44 4.196 -10.553 -13.556 358 1HE MET 44 1HE MET 44 4.784 -12.169 -15.866 359 2HE MET 44 2HE MET 44 3.128 -12.689 -15.469 360 3HE MET 44 3HE MET 44 3.544 -12.242 -17.141 361 H GLY 45 H GLY 45 6.527 -9.938 -11.591 362 1HA GLY 45 1HA GLY 45 8.759 -10.293 -12.704 363 2HA GLY 45 2HA GLY 45 8.968 -8.562 -12.532 364 HA PRO 46 HA PRO 46 10.092 -10.850 -8.616 365 1HB PRO 46 1HB PRO 46 12.737 -11.440 -8.967 366 2HB PRO 46 2HB PRO 46 11.454 -12.607 -9.214 367 1HG PRO 46 1HG PRO 46 13.063 -11.167 -11.232 368 2HG PRO 46 2HG PRO 46 12.098 -12.616 -11.428 369 1HD PRO 46 1HD PRO 46 11.400 -9.963 -12.265 370 2HD PRO 46 2HD PRO 46 10.388 -11.391 -12.355 371 H ILE 47 H ILE 47 9.610 -8.801 -7.759 372 HA ILE 47 HA ILE 47 12.079 -7.242 -7.452 373 HB ILE 47 HB ILE 47 10.505 -6.224 -9.078 374 1HG1 ILE 47 1HG1 ILE 47 10.543 -4.371 -6.740 375 2HG1 ILE 47 2HG1 ILE 47 12.080 -5.028 -7.266 376 1HG2 ILE 47 1HG2 ILE 47 8.358 -5.620 -8.608 377 2HG2 ILE 47 2HG2 ILE 47 8.484 -7.070 -7.584 378 3HG2 ILE 47 3HG2 ILE 47 8.662 -5.453 -6.862 379 1HD1 ILE 47 1HD1 ILE 47 10.141 -3.847 -9.282 380 2HD1 ILE 47 2HD1 ILE 47 11.256 -2.809 -8.361 381 3HD1 ILE 47 3HD1 ILE 47 11.899 -4.075 -9.435 382 H ARG 48 H ARG 48 12.699 -7.045 -5.370 383 HA ARG 48 HA ARG 48 10.577 -7.256 -3.392 384 1HB ARG 48 1HB ARG 48 12.085 -8.574 -1.939 385 2HB ARG 48 2HB ARG 48 11.882 -9.386 -3.478 386 1HG ARG 48 1HG ARG 48 14.193 -7.461 -3.087 387 2HG ARG 48 2HG ARG 48 14.307 -9.094 -2.460 388 1HD ARG 48 1HD ARG 48 14.428 -10.050 -4.567 389 2HD ARG 48 2HD ARG 48 13.333 -8.883 -5.281 390 HE ARG 48 HE ARG 48 15.629 -7.408 -4.647 391 1HH1 ARG 48 1HH1 ARG 48 14.903 -10.223 -6.630 392 2HH1 ARG 48 2HH1 ARG 48 16.185 -9.920 -7.755 393 1HH2 ARG 48 1HH2 ARG 48 17.320 -7.008 -6.130 394 2HH2 ARG 48 2HH2 ARG 48 17.569 -8.079 -7.469 395 H GLU 49 H GLU 49 11.371 -6.359 -1.161 396 HA GLU 49 HA GLU 49 11.891 -3.801 -1.235 397 1HB GLU 49 1HB GLU 49 13.314 -4.347 1.012 398 2HB GLU 49 2HB GLU 49 11.566 -4.445 0.938 399 1HG GLU 49 1HG GLU 49 11.552 -6.742 1.056 400 2HG GLU 49 2HG GLU 49 12.950 -6.910 0.012 401 H GLY 50 H GLY 50 13.551 -2.354 -1.651 402 1HA GLY 50 1HA GLY 50 15.953 -1.945 -1.487 403 2HA GLY 50 2HA GLY 50 16.215 -3.534 -2.177 404 H ASP 51 H ASP 51 13.674 -3.011 -3.946 405 HA ASP 51 HA ASP 51 15.179 -1.998 -6.117 406 1HB ASP 51 1HB ASP 51 12.889 -3.605 -5.766 407 2HB ASP 51 2HB ASP 51 12.260 -2.149 -6.512 408 H ILE 52 H ILE 52 13.976 -0.245 -7.605 409 HA ILE 52 HA ILE 52 13.193 1.942 -5.820 410 HB ILE 52 HB ILE 52 14.183 2.096 -8.666 411 1HG1 ILE 52 1HG1 ILE 52 16.279 3.002 -7.289 412 2HG1 ILE 52 2HG1 ILE 52 15.667 1.893 -6.077 413 1HG2 ILE 52 1HG2 ILE 52 14.687 4.460 -7.984 414 2HG2 ILE 52 2HG2 ILE 52 12.957 4.054 -8.082 415 3HG2 ILE 52 3HG2 ILE 52 13.758 4.161 -6.496 416 1HD1 ILE 52 1HD1 ILE 52 17.164 1.277 -8.452 417 2HD1 ILE 52 2HD1 ILE 52 16.566 0.154 -7.208 418 3HD1 ILE 52 3HD1 ILE 52 15.551 0.542 -8.617 419 H LEU 53 H LEU 53 11.327 3.208 -6.273 420 HA LEU 53 HA LEU 53 9.601 2.187 -8.390 421 1HB LEU 53 1HB LEU 53 8.296 2.700 -5.781 422 2HB LEU 53 2HB LEU 53 7.866 1.588 -7.066 423 HG LEU 53 HG LEU 53 8.494 0.387 -5.051 424 1HD1 LEU 53 1HD1 LEU 53 10.859 -0.419 -6.487 425 2HD1 LEU 53 2HD1 LEU 53 9.292 -1.247 -6.320 426 3HD1 LEU 53 3HD1 LEU 53 9.537 -0.062 -7.625 427 1HD2 LEU 53 1HD2 LEU 53 11.356 0.958 -5.090 428 2HD2 LEU 53 2HD2 LEU 53 10.373 2.385 -4.685 429 3HD2 LEU 53 3HD2 LEU 53 10.214 0.893 -3.727 430 H MET 54 H MET 54 7.719 3.720 -8.774 431 HA MET 54 HA MET 54 8.628 6.423 -8.146 432 1HB MET 54 1HB MET 54 7.189 5.280 -10.601 433 2HB MET 54 2HB MET 54 7.389 7.001 -10.340 434 1HG MET 54 1HG MET 54 9.959 5.689 -9.976 435 2HG MET 54 2HG MET 54 9.269 5.175 -11.503 436 1HE MET 54 1HE MET 54 10.411 7.663 -9.211 437 2HE MET 54 2HE MET 54 11.627 8.286 -10.353 438 3HE MET 54 3HE MET 54 10.205 9.274 -9.939 439 H LEU 55 H LEU 55 7.251 7.654 -6.934 440 HA LEU 55 HA LEU 55 4.525 6.639 -6.622 441 1HB LEU 55 1HB LEU 55 5.893 8.691 -4.898 442 2HB LEU 55 2HB LEU 55 4.470 7.734 -4.536 443 HG LEU 55 HG LEU 55 6.185 6.799 -3.242 444 1HD1 LEU 55 1HD1 LEU 55 4.797 5.220 -4.776 445 2HD1 LEU 55 2HD1 LEU 55 6.350 4.945 -5.601 446 3HD1 LEU 55 3HD1 LEU 55 6.184 4.573 -3.868 447 1HD2 LEU 55 1HD2 LEU 55 8.357 6.961 -3.685 448 2HD2 LEU 55 2HD2 LEU 55 8.180 6.090 -5.227 449 3HD2 LEU 55 3HD2 LEU 55 7.914 7.849 -5.163 450 H LEU 56 H LEU 56 3.068 7.538 -7.974 451 HA LEU 56 HA LEU 56 3.510 10.335 -8.728 452 1HB LEU 56 1HB LEU 56 3.458 8.690 -10.544 453 2HB LEU 56 2HB LEU 56 1.856 8.179 -10.049 454 HG LEU 56 HG LEU 56 1.825 9.661 -12.014 455 1HD1 LEU 56 1HD1 LEU 56 -0.182 10.421 -11.414 456 2HD1 LEU 56 2HD1 LEU 56 0.159 9.735 -9.807 457 3HD1 LEU 56 3HD1 LEU 56 0.494 11.453 -10.131 458 1HD2 LEU 56 1HD2 LEU 56 3.785 11.025 -11.505 459 2HD2 LEU 56 2HD2 LEU 56 2.355 12.043 -11.803 460 3HD2 LEU 56 3HD2 LEU 56 2.925 11.774 -10.138 461 H ASP 57 H ASP 57 1.954 11.906 -8.325 462 HA ASP 57 HA ASP 57 0.385 11.560 -6.120 463 1HB ASP 57 1HB ASP 57 -0.402 13.748 -6.538 464 2HB ASP 57 2HB ASP 57 1.149 13.722 -7.354 465 H THR 58 H THR 58 -1.593 10.507 -5.848 466 HA THR 58 HA THR 58 -3.029 9.702 -8.264 467 HB THR 58 HB THR 58 -2.250 8.097 -6.371 468 HG1 THR 58 HG1 THR 58 -3.866 7.394 -7.828 469 1HG2 THR 58 1HG2 THR 58 -3.442 9.849 -4.642 470 2HG2 THR 58 2HG2 THR 58 -4.832 8.799 -5.007 471 3HG2 THR 58 3HG2 THR 58 -3.346 8.101 -4.320 472 H ILE 59 H ILE 59 -4.793 10.719 -8.967 473 HA ILE 59 HA ILE 59 -5.891 12.801 -7.298 474 HB ILE 59 HB ILE 59 -5.369 13.103 -9.705 475 1HG1 ILE 59 1HG1 ILE 59 -8.054 13.811 -10.032 476 2HG1 ILE 59 2HG1 ILE 59 -7.816 13.827 -8.296 477 1HG2 ILE 59 1HG2 ILE 59 -7.757 11.984 -10.818 478 2HG2 ILE 59 2HG2 ILE 59 -6.058 11.671 -11.249 479 3HG2 ILE 59 3HG2 ILE 59 -6.849 10.701 -9.983 480 1HD1 ILE 59 1HD1 ILE 59 -6.208 15.520 -8.380 481 2HD1 ILE 59 2HD1 ILE 59 -5.699 15.096 -10.032 482 3HD1 ILE 59 3HD1 ILE 59 -7.228 15.968 -9.768 483 H ARG 60 H ARG 60 -7.921 12.823 -6.342 484 HA ARG 60 HA ARG 60 -9.043 10.229 -5.985 485 1HB ARG 60 1HB ARG 60 -10.095 12.894 -4.920 486 2HB ARG 60 2HB ARG 60 -10.435 11.300 -4.277 487 1HG ARG 60 1HG ARG 60 -8.664 11.564 -2.885 488 2HG ARG 60 2HG ARG 60 -7.618 11.436 -4.285 489 1HD ARG 60 1HD ARG 60 -6.946 13.566 -3.849 490 2HD ARG 60 2HD ARG 60 -8.522 14.095 -4.406 491 HE ARG 60 HE ARG 60 -8.813 13.277 -1.696 492 1HH1 ARG 60 1HH1 ARG 60 -7.191 15.793 -3.546 493 2HH1 ARG 60 2HH1 ARG 60 -7.232 16.947 -2.255 494 1HH2 ARG 60 1HH2 ARG 60 -8.867 14.799 0.008 495 2HH2 ARG 60 2HH2 ARG 60 -8.191 16.378 -0.220 496 H GLU 61 H GLU 61 -11.310 9.675 -6.437 497 HA GLU 61 HA GLU 61 -12.341 11.268 -8.643 498 1HB GLU 61 1HB GLU 61 -13.520 9.235 -9.358 499 2HB GLU 61 2HB GLU 61 -11.812 8.900 -9.162 500 1HG GLU 61 1HG GLU 61 -12.983 8.424 -6.606 501 2HG GLU 61 2HG GLU 61 -14.084 7.712 -7.769 502 H ALA 62 H ALA 62 -14.574 11.895 -8.692 503 HA ALA 62 HA ALA 62 -15.655 12.483 -6.158 504 1HB ALA 62 1HB ALA 62 -16.997 12.540 -8.889 505 2HB ALA 62 2HB ALA 62 -17.472 13.459 -7.441 506 3HB ALA 62 3HB ALA 62 -15.935 13.823 -8.262 507 H LYS 63 H LYS 63 -17.449 11.599 -5.053 508 HA LYS 63 HA LYS 63 -17.850 8.803 -5.598 509 1HB LYS 63 1HB LYS 63 -17.492 9.666 -3.308 510 2HB LYS 63 2HB LYS 63 -18.976 10.589 -3.419 511 1HG LYS 63 1HG LYS 63 -19.783 8.018 -4.190 512 2HG LYS 63 2HG LYS 63 -18.597 7.696 -2.940 513 1HD LYS 63 1HD LYS 63 -19.979 8.443 -1.289 514 2HD LYS 63 2HD LYS 63 -20.371 9.907 -2.169 515 1HE LYS 63 1HE LYS 63 -22.448 9.008 -2.442 516 2HE LYS 63 2HE LYS 63 -21.717 7.974 -3.654 517 1HZ LYS 63 1HZ LYS 63 -21.274 6.364 -1.923 518 2HZ LYS 63 2HZ LYS 63 -21.963 7.326 -0.797 519 3HZ LYS 63 3HZ LYS 63 -22.871 6.697 -2.001 520 H GLU 64 H GLU 64 -19.507 7.909 -6.718 521 HA GLU 64 HA GLU 64 -21.560 9.762 -7.596 522 1HB GLU 64 1HB GLU 64 -20.305 8.546 -9.349 523 2HB GLU 64 2HB GLU 64 -20.767 7.009 -8.645 524 1HG GLU 64 1HG GLU 64 -23.245 8.111 -8.932 525 2HG GLU 64 2HG GLU 64 -22.419 8.949 -10.231 526 H ILE 65 H ILE 65 -23.719 9.520 -7.035 527 HA ILE 65 HA ILE 65 -24.257 7.492 -5.030 528 HB ILE 65 HB ILE 65 -26.343 8.770 -4.701 529 1HG1 ILE 65 1HG1 ILE 65 -25.358 11.028 -6.367 530 2HG1 ILE 65 2HG1 ILE 65 -26.058 9.672 -7.230 531 1HG2 ILE 65 1HG2 ILE 65 -23.679 10.178 -4.521 532 2HG2 ILE 65 2HG2 ILE 65 -25.177 10.880 -3.864 533 3HG2 ILE 65 3HG2 ILE 65 -24.580 9.320 -3.248 534 1HD1 ILE 65 1HD1 ILE 65 -27.427 11.750 -5.809 535 2HD1 ILE 65 2HD1 ILE 65 -28.136 10.363 -6.669 536 3HD1 ILE 65 3HD1 ILE 65 -27.730 10.225 -4.942 537 H ARG 66 H ARG 66 -25.610 5.747 -5.301 538 HA ARG 66 HA ARG 66 -26.104 4.994 -7.955 539 1HB ARG 66 1HB ARG 66 -26.785 3.840 -5.229 540 2HB ARG 66 2HB ARG 66 -27.481 3.119 -6.667 541 1HG ARG 66 1HG ARG 66 -25.263 2.669 -7.602 542 2HG ARG 66 2HG ARG 66 -24.484 3.586 -6.327 543 1HD ARG 66 1HD ARG 66 -24.263 1.253 -5.732 544 2HD ARG 66 2HD ARG 66 -25.453 1.934 -4.641 545 HE ARG 66 HE ARG 66 -26.776 0.901 -6.982 546 1HH1 ARG 66 1HH1 ARG 66 -25.156 -0.169 -4.047 547 2HH1 ARG 66 2HH1 ARG 66 -26.032 -1.661 -3.955 548 1HH2 ARG 66 1HH2 ARG 66 -27.931 -1.067 -6.861 549 2HH2 ARG 66 2HH2 ARG 66 -27.621 -2.175 -5.567 550 H THR 67 H THR 67 -28.036 5.038 -9.162 551 HA THR 67 HA THR 67 -30.199 6.604 -7.971 552 HB THR 67 HB THR 67 -30.852 6.922 -10.346 553 HG1 THR 67 HG1 THR 67 -29.720 5.654 -11.906 554 1HG2 THR 67 1HG2 THR 67 -28.908 8.086 -11.187 555 2HG2 THR 67 2HG2 THR 67 -28.827 8.252 -9.416 556 3HG2 THR 67 3HG2 THR 67 -27.802 7.056 -10.246 557 HA PRO 68 HA PRO 68 -32.772 3.189 -7.590 558 1HB PRO 68 1HB PRO 68 -35.218 4.406 -7.517 559 2HB PRO 68 2HB PRO 68 -34.152 4.314 -6.130 560 1HG PRO 68 1HG PRO 68 -34.733 6.632 -7.869 561 2HG PRO 68 2HG PRO 68 -34.028 6.613 -6.265 562 1HD PRO 68 1HD PRO 68 -32.639 6.992 -8.745 563 2HD PRO 68 2HD PRO 68 -31.922 6.857 -7.152 Start of MODEL 9 1 HA MET 1 HA MET 1 2.340 18.114 -11.438 2 1HB MET 1 1HB MET 1 4.789 19.713 -12.078 3 2HB MET 1 2HB MET 1 5.086 17.994 -11.908 4 1HG MET 1 1HG MET 1 3.592 17.430 -13.686 5 2HG MET 1 2HG MET 1 2.771 18.976 -13.614 6 1HE MET 1 1HE MET 1 6.746 17.748 -14.336 7 2HE MET 1 2HE MET 1 5.318 16.811 -14.837 8 3HE MET 1 3HE MET 1 6.258 17.716 -16.047 9 H ASP 2 H ASP 2 2.512 16.334 -10.129 10 HA ASP 2 HA ASP 2 3.909 16.709 -7.653 11 1HB ASP 2 1HB ASP 2 1.639 15.219 -8.562 12 2HB ASP 2 2HB ASP 2 2.815 14.035 -8.031 13 H ASP 3 H ASP 3 4.046 14.837 -10.706 14 HA ASP 3 HA ASP 3 5.562 13.579 -11.610 15 1HB ASP 3 1HB ASP 3 7.058 15.446 -10.049 16 2HB ASP 3 2HB ASP 3 7.822 13.890 -9.789 17 H ALA 4 H ALA 4 7.640 11.916 -10.655 18 HA ALA 4 HA ALA 4 6.153 10.174 -8.838 19 1HB ALA 4 1HB ALA 4 6.682 8.907 -10.697 20 2HB ALA 4 2HB ALA 4 8.182 9.809 -11.021 21 3HB ALA 4 3HB ALA 4 8.131 8.609 -9.707 22 H THR 5 H THR 5 7.117 9.330 -6.931 23 HA THR 5 HA THR 5 9.313 10.997 -5.946 24 HB THR 5 HB THR 5 7.670 9.060 -4.287 25 HG1 THR 5 HG1 THR 5 6.066 10.832 -4.267 26 1HG2 THR 5 1HG2 THR 5 9.375 11.428 -3.862 27 2HG2 THR 5 2HG2 THR 5 7.758 11.641 -3.151 28 3HG2 THR 5 3HG2 THR 5 8.767 10.256 -2.668 29 HA PRO 6 HA PRO 6 12.021 7.669 -6.432 30 1HB PRO 6 1HB PRO 6 14.243 8.831 -5.346 31 2HB PRO 6 2HB PRO 6 13.751 9.075 -7.010 32 1HG PRO 6 1HG PRO 6 13.514 10.925 -4.717 33 2HG PRO 6 2HG PRO 6 13.430 11.284 -6.430 34 1HD PRO 6 1HD PRO 6 11.225 11.109 -4.604 35 2HD PRO 6 2HD PRO 6 11.134 11.353 -6.337 36 H ALA 7 H ALA 7 11.082 6.063 -5.196 37 HA ALA 7 HA ALA 7 12.192 6.037 -2.475 38 1HB ALA 7 1HB ALA 7 9.595 4.673 -2.919 39 2HB ALA 7 2HB ALA 7 10.142 5.680 -1.557 40 3HB ALA 7 3HB ALA 7 9.544 6.448 -3.047 41 H GLU 8 H GLU 8 12.529 3.838 -1.603 42 HA GLU 8 HA GLU 8 12.874 1.939 -3.792 43 1HB GLU 8 1HB GLU 8 14.579 2.300 -1.288 44 2HB GLU 8 2HB GLU 8 14.800 1.018 -2.462 45 1HG GLU 8 1HG GLU 8 14.711 3.374 -4.020 46 2HG GLU 8 2HG GLU 8 15.636 3.831 -2.604 47 H VAL 9 H VAL 9 12.054 -0.145 -3.519 48 HA VAL 9 HA VAL 9 9.989 -0.578 -1.796 49 HB VAL 9 HB VAL 9 11.873 -2.682 -2.873 50 1HG1 VAL 9 1HG1 VAL 9 8.940 -3.116 -2.803 51 2HG1 VAL 9 2HG1 VAL 9 10.279 -4.231 -2.437 52 3HG1 VAL 9 3HG1 VAL 9 9.751 -3.044 -1.220 53 1HG2 VAL 9 1HG2 VAL 9 9.727 -2.448 -4.638 54 2HG2 VAL 9 2HG2 VAL 9 10.181 -0.765 -4.278 55 3HG2 VAL 9 3HG2 VAL 9 11.397 -1.899 -4.915 56 H ILE 10 H ILE 10 9.727 -1.195 0.318 57 HA ILE 10 HA ILE 10 12.215 -1.755 1.779 58 HB ILE 10 HB ILE 10 11.149 -0.728 3.721 59 1HG1 ILE 10 1HG1 ILE 10 8.934 0.213 1.890 60 2HG1 ILE 10 2HG1 ILE 10 8.783 -1.215 2.894 61 1HG2 ILE 10 1HG2 ILE 10 11.025 1.246 1.444 62 2HG2 ILE 10 2HG2 ILE 10 11.572 1.495 3.120 63 3HG2 ILE 10 3HG2 ILE 10 12.561 0.534 1.995 64 1HD1 ILE 10 1HD1 ILE 10 9.380 1.614 3.877 65 2HD1 ILE 10 2HD1 ILE 10 7.852 0.723 4.078 66 3HD1 ILE 10 3HD1 ILE 10 9.321 0.172 4.919 67 H GLU 11 H GLU 11 8.752 -2.533 1.268 68 HA GLU 11 HA GLU 11 9.318 -5.070 2.580 69 1HB GLU 11 1HB GLU 11 7.969 -4.089 4.222 70 2HB GLU 11 2HB GLU 11 7.040 -3.159 3.063 71 1HG GLU 11 1HG GLU 11 5.653 -4.967 2.501 72 2HG GLU 11 2HG GLU 11 6.863 -6.166 2.913 73 H VAL 12 H VAL 12 8.173 -6.918 1.694 74 HA VAL 12 HA VAL 12 6.922 -6.340 -0.902 75 HB VAL 12 HB VAL 12 8.672 -8.697 -0.177 76 1HG1 VAL 12 1HG1 VAL 12 7.326 -9.516 -1.861 77 2HG1 VAL 12 2HG1 VAL 12 7.107 -7.920 -2.617 78 3HG1 VAL 12 3HG1 VAL 12 8.645 -8.795 -2.815 79 1HG2 VAL 12 1HG2 VAL 12 10.036 -6.693 -0.261 80 2HG2 VAL 12 2HG2 VAL 12 10.332 -7.670 -1.720 81 3HG2 VAL 12 3HG2 VAL 12 9.306 -6.218 -1.814 82 H LEU 13 H LEU 13 4.989 -7.387 -1.343 83 HA LEU 13 HA LEU 13 3.940 -8.963 0.895 84 1HB LEU 13 1HB LEU 13 2.170 -7.862 -1.223 85 2HB LEU 13 2HB LEU 13 1.869 -8.113 0.485 86 HG LEU 13 HG LEU 13 1.873 -5.793 0.220 87 1HD1 LEU 13 1HD1 LEU 13 4.730 -5.860 0.979 88 2HD1 LEU 13 2HD1 LEU 13 3.320 -5.194 1.838 89 3HD1 LEU 13 3HD1 LEU 13 3.658 -6.941 1.901 90 1HD2 LEU 13 1HD2 LEU 13 3.440 -6.274 -2.040 91 2HD2 LEU 13 2HD2 LEU 13 2.837 -4.703 -1.459 92 3HD2 LEU 13 3HD2 LEU 13 4.458 -5.265 -0.985 93 H LYS 14 H LYS 14 4.172 -11.113 0.583 94 HA LYS 14 HA LYS 14 3.444 -12.124 -2.067 95 1HB LYS 14 1HB LYS 14 6.067 -12.050 -1.114 96 2HB LYS 14 2HB LYS 14 5.548 -13.692 -0.788 97 1HG LYS 14 1HG LYS 14 6.232 -13.962 -2.988 98 2HG LYS 14 2HG LYS 14 4.559 -13.525 -3.276 99 1HD LYS 14 1HD LYS 14 5.404 -11.880 -4.612 100 2HD LYS 14 2HD LYS 14 5.742 -11.027 -3.119 101 1HE LYS 14 1HE LYS 14 7.791 -11.075 -4.436 102 2HE LYS 14 2HE LYS 14 8.019 -12.119 -3.047 103 1HZ LYS 14 1HZ LYS 14 8.671 -13.497 -4.679 104 2HZ LYS 14 2HZ LYS 14 7.081 -13.866 -4.736 105 3HZ LYS 14 3HZ LYS 14 7.719 -12.833 -5.828 106 H ARG 15 H ARG 15 2.163 -13.960 -2.043 107 HA ARG 15 HA ARG 15 1.264 -14.686 0.602 108 1HB ARG 15 1HB ARG 15 0.097 -14.691 -2.145 109 2HB ARG 15 2HB ARG 15 -0.365 -16.070 -1.167 110 1HG ARG 15 1HG ARG 15 -0.481 -13.427 0.226 111 2HG ARG 15 2HG ARG 15 -1.630 -13.631 -1.081 112 1HD ARG 15 1HD ARG 15 -2.938 -14.724 0.434 113 2HD ARG 15 2HD ARG 15 -1.832 -16.072 0.253 114 HE ARG 15 HE ARG 15 -1.043 -15.647 2.405 115 1HH1 ARG 15 1HH1 ARG 15 -2.507 -12.704 1.149 116 2HH1 ARG 15 2HH1 ARG 15 -2.314 -11.825 2.628 117 1HH2 ARG 15 1HH2 ARG 15 -0.787 -14.487 4.357 118 2HH2 ARG 15 2HH2 ARG 15 -1.329 -12.845 4.465 119 H THR 16 H THR 16 1.797 -16.657 1.526 120 HA THR 16 HA THR 16 3.613 -18.370 0.168 121 HB THR 16 HB THR 16 2.121 -18.406 2.831 122 HG1 THR 16 HG1 THR 16 4.554 -18.229 3.347 123 1HG2 THR 16 1HG2 THR 16 4.409 -20.154 2.814 124 2HG2 THR 16 2HG2 THR 16 2.716 -20.587 3.153 125 3HG2 THR 16 3HG2 THR 16 3.339 -20.669 1.488 126 H GLY 17 H GLY 17 2.536 -18.971 -1.784 127 1HA GLY 17 1HA GLY 17 1.576 -21.404 -2.052 128 2HA GLY 17 2HA GLY 17 0.126 -20.601 -1.484 129 H MET 18 H MET 18 0.762 -21.832 -4.161 130 HA MET 18 HA MET 18 0.423 -21.444 -6.273 131 1HB MET 18 1HB MET 18 -1.414 -19.799 -4.873 132 2HB MET 18 2HB MET 18 -0.736 -18.724 -6.080 133 1HG MET 18 1HG MET 18 -1.332 -21.335 -7.266 134 2HG MET 18 2HG MET 18 -2.755 -20.688 -6.475 135 1HE MET 18 1HE MET 18 -4.304 -19.138 -7.571 136 2HE MET 18 2HE MET 18 -4.113 -18.788 -9.306 137 3HE MET 18 3HE MET 18 -4.042 -20.468 -8.724 138 H THR 19 H THR 19 1.031 -20.067 -8.215 139 HA THR 19 HA THR 19 3.433 -18.531 -7.540 140 HB THR 19 HB THR 19 2.425 -19.926 -10.072 141 HG1 THR 19 HG1 THR 19 4.671 -20.197 -8.198 142 1HG2 THR 19 1HG2 THR 19 3.767 -18.092 -10.896 143 2HG2 THR 19 2HG2 THR 19 4.903 -18.223 -9.532 144 3HG2 THR 19 3HG2 THR 19 4.877 -19.479 -10.793 145 H GLY 20 H GLY 20 0.732 -18.351 -9.964 146 1HA GLY 20 1HA GLY 20 -0.621 -16.523 -10.335 147 2HA GLY 20 2HA GLY 20 0.398 -15.532 -9.311 148 H GLU 21 H GLU 21 0.505 -13.839 -10.910 149 HA GLU 21 HA GLU 21 2.466 -14.454 -12.944 150 1HB GLU 21 1HB GLU 21 0.059 -14.566 -13.892 151 2HB GLU 21 2HB GLU 21 -0.014 -12.834 -13.635 152 1HG GLU 21 1HG GLU 21 2.039 -12.549 -15.055 153 2HG GLU 21 2HG GLU 21 2.078 -14.279 -15.332 154 H VAL 22 H VAL 22 0.438 -11.956 -11.285 155 HA VAL 22 HA VAL 22 2.777 -10.179 -11.415 156 HB VAL 22 HB VAL 22 -0.175 -9.619 -11.624 157 1HG1 VAL 22 1HG1 VAL 22 2.007 -7.557 -11.168 158 2HG1 VAL 22 2HG1 VAL 22 0.271 -7.244 -11.410 159 3HG1 VAL 22 3HG1 VAL 22 0.828 -8.085 -9.943 160 1HG2 VAL 22 1HG2 VAL 22 1.464 -8.128 -13.435 161 2HG2 VAL 22 2HG2 VAL 22 1.968 -9.834 -13.492 162 3HG2 VAL 22 3HG2 VAL 22 0.270 -9.398 -13.796 163 H MET 23 H MET 23 3.554 -9.385 -9.490 164 HA MET 23 HA MET 23 1.976 -10.121 -7.145 165 1HB MET 23 1HB MET 23 4.047 -10.619 -5.998 166 2HB MET 23 2HB MET 23 4.225 -11.343 -7.584 167 1HG MET 23 1HG MET 23 5.118 -8.608 -7.783 168 2HG MET 23 2HG MET 23 5.860 -9.298 -6.353 169 1HE MET 23 1HE MET 23 8.861 -10.717 -7.880 170 2HE MET 23 2HE MET 23 8.168 -9.333 -7.001 171 3HE MET 23 3HE MET 23 7.864 -10.991 -6.431 172 H GLN 24 H GLN 24 2.313 -8.689 -5.201 173 HA GLN 24 HA GLN 24 2.710 -5.963 -6.137 174 1HB GLN 24 1HB GLN 24 1.240 -5.255 -4.346 175 2HB GLN 24 2HB GLN 24 0.461 -6.581 -5.186 176 1HG GLN 24 1HG GLN 24 1.999 -7.863 -3.206 177 2HG GLN 24 2HG GLN 24 1.394 -6.432 -2.396 178 1HE2 GLN 24 1HE2 GLN 24 -0.532 -6.524 -1.534 179 2HE2 GLN 24 2HE2 GLN 24 -1.802 -7.637 -1.919 180 H VAL 25 H VAL 25 3.851 -4.426 -4.702 181 HA VAL 25 HA VAL 25 5.511 -5.716 -2.673 182 HB VAL 25 HB VAL 25 6.577 -5.516 -5.043 183 1HG1 VAL 25 1HG1 VAL 25 6.965 -2.680 -4.024 184 2HG1 VAL 25 2HG1 VAL 25 7.698 -3.394 -5.480 185 3HG1 VAL 25 3HG1 VAL 25 5.936 -3.154 -5.397 186 1HG2 VAL 25 1HG2 VAL 25 7.806 -4.776 -2.393 187 2HG2 VAL 25 2HG2 VAL 25 7.965 -6.278 -3.335 188 3HG2 VAL 25 3HG2 VAL 25 8.793 -4.797 -3.874 189 H LYS 26 H LYS 26 6.469 -4.125 -1.153 190 HA LYS 26 HA LYS 26 4.779 -1.727 -1.040 191 1HB LYS 26 1HB LYS 26 4.668 -3.628 0.760 192 2HB LYS 26 2HB LYS 26 6.158 -2.921 1.351 193 1HG LYS 26 1HG LYS 26 4.763 -0.633 1.113 194 2HG LYS 26 2HG LYS 26 3.393 -1.718 1.251 195 1HD LYS 26 1HD LYS 26 5.707 -1.817 3.228 196 2HD LYS 26 2HD LYS 26 4.361 -0.717 3.448 197 1HE LYS 26 1HE LYS 26 3.389 -3.411 2.830 198 2HE LYS 26 2HE LYS 26 4.476 -3.452 4.205 199 1HZ LYS 26 1HZ LYS 26 2.480 -2.942 5.150 200 2HZ LYS 26 2HZ LYS 26 3.098 -1.442 4.962 201 3HZ LYS 26 3HZ LYS 26 1.972 -1.998 3.918 202 H CYS 27 H CYS 27 5.740 0.249 -1.133 203 HA CYS 27 HA CYS 27 8.606 0.345 -0.607 204 1HB CYS 27 1HB CYS 27 9.162 1.425 -2.608 205 2HB CYS 27 2HB CYS 27 8.103 0.124 -3.116 206 HG CYS 27 HG CYS 27 7.945 3.054 -3.822 207 H ARG 28 H ARG 28 9.044 2.047 0.771 208 HA ARG 28 HA ARG 28 6.863 3.900 1.196 209 1HB ARG 28 1HB ARG 28 7.836 2.644 3.159 210 2HB ARG 28 2HB ARG 28 9.384 3.412 2.864 211 1HG ARG 28 1HG ARG 28 7.398 5.496 2.952 212 2HG ARG 28 2HG ARG 28 7.113 4.447 4.327 213 1HD ARG 28 1HD ARG 28 9.870 4.664 4.402 214 2HD ARG 28 2HD ARG 28 9.433 6.234 3.757 215 HE ARG 28 HE ARG 28 7.755 5.531 6.020 216 1HH1 ARG 28 1HH1 ARG 28 10.938 6.757 5.157 217 2HH1 ARG 28 2HH1 ARG 28 11.161 7.597 6.656 218 1HH2 ARG 28 1HH2 ARG 28 8.049 6.639 7.997 219 2HH2 ARG 28 2HH2 ARG 28 9.507 7.529 8.282 220 H ILE 29 H ILE 29 7.153 6.183 1.008 221 HA ILE 29 HA ILE 29 8.940 7.073 -0.894 222 HB ILE 29 HB ILE 29 7.154 8.333 1.124 223 1HG1 ILE 29 1HG1 ILE 29 7.322 8.017 -1.833 224 2HG1 ILE 29 2HG1 ILE 29 5.948 7.855 -0.758 225 1HG2 ILE 29 1HG2 ILE 29 9.078 9.968 -0.548 226 2HG2 ILE 29 2HG2 ILE 29 7.844 10.568 0.586 227 3HG2 ILE 29 3HG2 ILE 29 9.255 9.672 1.198 228 1HD1 ILE 29 1HD1 ILE 29 5.834 9.893 -2.240 229 2HD1 ILE 29 2HD1 ILE 29 5.767 10.280 -0.504 230 3HD1 ILE 29 3HD1 ILE 29 7.279 10.523 -1.413 231 H LEU 30 H LEU 30 11.039 7.761 -0.895 232 HA LEU 30 HA LEU 30 12.421 7.547 1.667 233 1HB LEU 30 1HB LEU 30 13.337 7.448 -1.202 234 2HB LEU 30 2HB LEU 30 14.455 7.590 0.140 235 HG LEU 30 HG LEU 30 12.516 5.306 -0.322 236 1HD1 LEU 30 1HD1 LEU 30 14.839 4.086 -0.475 237 2HD1 LEU 30 2HD1 LEU 30 14.145 4.913 -1.890 238 3HD1 LEU 30 3HD1 LEU 30 15.420 5.705 -0.934 239 1HD2 LEU 30 1HD2 LEU 30 13.981 4.249 1.531 240 2HD2 LEU 30 2HD2 LEU 30 14.394 5.931 1.944 241 3HD2 LEU 30 3HD2 LEU 30 12.698 5.394 1.992 242 H ASP 31 H ASP 31 11.201 9.838 -0.654 243 HA ASP 31 HA ASP 31 12.112 11.949 0.991 244 1HB ASP 31 1HB ASP 31 13.304 13.182 -0.844 245 2HB ASP 31 2HB ASP 31 14.145 11.732 -0.333 246 H GLY 32 H GLY 32 10.980 13.990 0.377 247 1HA GLY 32 1HA GLY 32 9.652 14.877 -1.643 248 2HA GLY 32 2HA GLY 32 8.652 13.468 -1.349 249 H ARG 33 H ARG 33 7.075 15.452 -1.103 250 HA ARG 33 HA ARG 33 7.315 16.902 1.294 251 1HB ARG 33 1HB ARG 33 6.088 17.787 -0.674 252 2HB ARG 33 2HB ARG 33 4.936 16.470 -0.582 253 1HG ARG 33 1HG ARG 33 5.062 17.732 2.017 254 2HG ARG 33 2HG ARG 33 4.874 18.990 0.812 255 1HD ARG 33 1HD ARG 33 2.942 17.650 -0.182 256 2HD ARG 33 2HD ARG 33 3.083 16.539 1.166 257 HE ARG 33 HE ARG 33 2.911 19.115 2.305 258 1HH1 ARG 33 1HH1 ARG 33 0.900 17.041 0.295 259 2HH1 ARG 33 2HH1 ARG 33 -0.589 17.704 0.879 260 1HH2 ARG 33 1HH2 ARG 33 0.946 19.990 3.076 261 2HH2 ARG 33 2HH2 ARG 33 -0.563 19.393 2.471 262 H ASP 34 H ASP 34 5.730 13.880 0.253 263 HA ASP 34 HA ASP 34 4.233 13.718 2.692 264 1HB ASP 34 1HB ASP 34 4.597 11.849 0.309 265 2HB ASP 34 2HB ASP 34 3.641 11.402 1.708 266 H LYS 35 H LYS 35 7.430 13.259 1.790 267 HA LYS 35 HA LYS 35 8.725 11.233 2.221 268 1HB LYS 35 1HB LYS 35 9.343 13.621 3.041 269 2HB LYS 35 2HB LYS 35 8.920 13.028 4.634 270 1HG LYS 35 1HG LYS 35 10.573 11.231 4.486 271 2HG LYS 35 2HG LYS 35 10.885 11.585 2.798 272 1HD LYS 35 1HD LYS 35 11.634 13.238 5.233 273 2HD LYS 35 2HD LYS 35 12.689 12.613 3.981 274 1HE LYS 35 1HE LYS 35 11.179 14.147 2.386 275 2HE LYS 35 2HE LYS 35 10.826 14.993 3.879 276 1HZ LYS 35 1HZ LYS 35 12.706 16.015 3.091 277 2HZ LYS 35 2HZ LYS 35 13.340 14.969 4.174 278 3HZ LYS 35 3HZ LYS 35 13.412 14.635 2.577 279 H GLY 36 H GLY 36 7.996 9.216 2.694 280 1HA GLY 36 1HA GLY 36 7.895 7.682 4.574 281 2HA GLY 36 2HA GLY 36 6.858 8.829 5.399 282 H ARG 37 H ARG 37 5.845 9.237 2.310 283 HA ARG 37 HA ARG 37 3.484 7.867 2.726 284 1HB ARG 37 1HB ARG 37 4.459 9.770 0.908 285 2HB ARG 37 2HB ARG 37 4.132 8.389 -0.119 286 1HG ARG 37 1HG ARG 37 1.843 8.321 1.298 287 2HG ARG 37 2HG ARG 37 2.213 10.015 1.546 288 1HD ARG 37 1HD ARG 37 2.407 10.326 -0.941 289 2HD ARG 37 2HD ARG 37 2.007 8.637 -1.176 290 HE ARG 37 HE ARG 37 -0.079 9.590 0.397 291 1HH1 ARG 37 1HH1 ARG 37 1.320 10.541 -2.688 292 2HH1 ARG 37 2HH1 ARG 37 -0.165 11.177 -3.311 293 1HH2 ARG 37 1HH2 ARG 37 -2.040 10.428 -0.425 294 2HH2 ARG 37 2HH2 ARG 37 -2.089 11.112 -2.015 295 H ILE 38 H ILE 38 2.852 5.761 2.263 296 HA ILE 38 HA ILE 38 4.735 4.177 0.655 297 HB ILE 38 HB ILE 38 3.054 3.305 3.008 298 1HG1 ILE 38 1HG1 ILE 38 5.860 2.886 3.370 299 2HG1 ILE 38 2HG1 ILE 38 5.620 4.556 2.896 300 1HG2 ILE 38 1HG2 ILE 38 3.839 1.134 2.724 301 2HG2 ILE 38 2HG2 ILE 38 3.469 1.656 1.064 302 3HG2 ILE 38 3HG2 ILE 38 5.154 1.641 1.637 303 1HD1 ILE 38 1HD1 ILE 38 3.955 3.220 5.070 304 2HD1 ILE 38 2HD1 ILE 38 5.469 4.093 5.406 305 3HD1 ILE 38 3HD1 ILE 38 4.079 4.959 4.710 306 H LEU 39 H LEU 39 3.934 3.313 -1.190 307 HA LEU 39 HA LEU 39 1.016 3.064 -1.364 308 1HB LEU 39 1HB LEU 39 2.899 4.238 -3.410 309 2HB LEU 39 2HB LEU 39 1.255 3.748 -3.766 310 HG LEU 39 HG LEU 39 0.521 5.369 -1.925 311 1HD1 LEU 39 1HD1 LEU 39 2.017 6.503 -0.746 312 2HD1 LEU 39 2HD1 LEU 39 3.309 5.585 -1.556 313 3HD1 LEU 39 3HD1 LEU 39 2.766 7.140 -2.230 314 1HD2 LEU 39 1HD2 LEU 39 1.349 5.861 -4.677 315 2HD2 LEU 39 2HD2 LEU 39 -0.120 6.368 -3.810 316 3HD2 LEU 39 3HD2 LEU 39 1.367 7.338 -3.684 317 H THR 40 H THR 40 0.328 1.077 -1.996 318 HA THR 40 HA THR 40 2.417 -0.784 -2.892 319 HB THR 40 HB THR 40 -0.271 -1.777 -2.047 320 HG1 THR 40 HG1 THR 40 0.550 -1.248 0.243 321 1HG2 THR 40 1HG2 THR 40 2.561 -2.314 -1.010 322 2HG2 THR 40 2HG2 THR 40 1.107 -3.276 -0.650 323 3HG2 THR 40 3HG2 THR 40 1.774 -3.253 -2.301 324 H ARG 41 H ARG 41 2.368 -1.772 -4.844 325 HA ARG 41 HA ARG 41 -0.080 -1.520 -6.353 326 1HB ARG 41 1HB ARG 41 2.507 -0.168 -6.972 327 2HB ARG 41 2HB ARG 41 1.810 -1.033 -8.327 328 1HG ARG 41 1HG ARG 41 0.697 0.980 -8.595 329 2HG ARG 41 2HG ARG 41 -0.439 0.198 -7.515 330 1HD ARG 41 1HD ARG 41 0.055 1.603 -5.762 331 2HD ARG 41 2HD ARG 41 1.774 1.592 -6.102 332 HE ARG 41 HE ARG 41 1.479 3.602 -7.236 333 1HH1 ARG 41 1HH1 ARG 41 -1.549 1.813 -7.351 334 2HH1 ARG 41 2HH1 ARG 41 -2.401 3.060 -8.199 335 1HH2 ARG 41 1HH2 ARG 41 0.356 5.247 -8.354 336 2HH2 ARG 41 2HH2 ARG 41 -1.310 5.027 -8.774 337 H ASN 42 H ASN 42 -0.161 -3.070 -8.208 338 HA ASN 42 HA ASN 42 1.328 -5.421 -7.540 339 1HB ASN 42 1HB ASN 42 -0.122 -6.394 -9.466 340 2HB ASN 42 2HB ASN 42 -0.982 -5.834 -8.045 341 1HD2 ASN 42 1HD2 ASN 42 -1.194 -5.931 -11.218 342 2HD2 ASN 42 2HD2 ASN 42 -2.007 -4.449 -11.597 343 H VAL 43 H VAL 43 3.254 -5.930 -8.595 344 HA VAL 43 HA VAL 43 3.578 -4.953 -11.339 345 HB VAL 43 HB VAL 43 4.805 -3.385 -10.111 346 1HG1 VAL 43 1HG1 VAL 43 6.672 -4.677 -8.504 347 2HG1 VAL 43 2HG1 VAL 43 5.208 -3.828 -7.953 348 3HG1 VAL 43 3HG1 VAL 43 5.168 -5.587 -8.225 349 1HG2 VAL 43 1HG2 VAL 43 6.583 -5.609 -11.126 350 2HG2 VAL 43 2HG2 VAL 43 6.145 -4.079 -11.922 351 3HG2 VAL 43 3HG2 VAL 43 7.243 -4.071 -10.521 352 H MET 44 H MET 44 4.530 -6.424 -12.743 353 HA MET 44 HA MET 44 4.854 -9.061 -11.606 354 1HB MET 44 1HB MET 44 4.501 -9.847 -13.858 355 2HB MET 44 2HB MET 44 3.426 -8.472 -13.707 356 1HG MET 44 1HG MET 44 5.648 -7.166 -14.588 357 2HG MET 44 2HG MET 44 5.961 -8.736 -15.299 358 1HE MET 44 1HE MET 44 5.674 -6.480 -17.313 359 2HE MET 44 2HE MET 44 5.773 -8.213 -17.707 360 3HE MET 44 3HE MET 44 4.519 -7.200 -18.460 361 H GLY 45 H GLY 45 6.782 -10.258 -11.680 362 1HA GLY 45 1HA GLY 45 8.937 -10.533 -12.825 363 2HA GLY 45 2HA GLY 45 9.139 -8.796 -12.716 364 HA PRO 46 HA PRO 46 10.740 -10.901 -8.899 365 1HB PRO 46 1HB PRO 46 13.414 -11.068 -9.436 366 2HB PRO 46 2HB PRO 46 12.309 -12.412 -9.644 367 1HG PRO 46 1HG PRO 46 13.541 -10.690 -11.706 368 2HG PRO 46 2HG PRO 46 12.796 -12.265 -11.893 369 1HD PRO 46 1HD PRO 46 11.648 -9.730 -12.589 370 2HD PRO 46 2HD PRO 46 10.861 -11.294 -12.667 371 H ILE 47 H ILE 47 9.988 -8.946 -7.986 372 HA ILE 47 HA ILE 47 12.224 -7.062 -7.730 373 HB ILE 47 HB ILE 47 10.416 -6.287 -9.287 374 1HG1 ILE 47 1HG1 ILE 47 10.308 -4.299 -7.132 375 2HG1 ILE 47 2HG1 ILE 47 11.924 -4.917 -7.413 376 1HG2 ILE 47 1HG2 ILE 47 8.676 -5.615 -6.976 377 2HG2 ILE 47 2HG2 ILE 47 8.261 -5.978 -8.668 378 3HG2 ILE 47 3HG2 ILE 47 8.648 -7.302 -7.543 379 1HD1 ILE 47 1HD1 ILE 47 10.197 -4.105 -9.767 380 2HD1 ILE 47 2HD1 ILE 47 11.079 -2.874 -8.832 381 3HD1 ILE 47 3HD1 ILE 47 11.972 -4.176 -9.654 382 H ARG 48 H ARG 48 12.891 -6.851 -5.665 383 HA ARG 48 HA ARG 48 10.876 -7.331 -3.626 384 1HB ARG 48 1HB ARG 48 12.768 -8.376 -2.236 385 2HB ARG 48 2HB ARG 48 12.220 -9.333 -3.598 386 1HG ARG 48 1HG ARG 48 14.573 -7.413 -3.834 387 2HG ARG 48 2HG ARG 48 14.784 -9.064 -3.286 388 1HD ARG 48 1HD ARG 48 13.153 -9.186 -5.646 389 2HD ARG 48 2HD ARG 48 14.469 -8.085 -6.002 390 HE ARG 48 HE ARG 48 16.011 -9.863 -5.808 391 1HH1 ARG 48 1HH1 ARG 48 12.837 -10.877 -4.677 392 2HH1 ARG 48 2HH1 ARG 48 13.260 -12.555 -4.600 393 1HH2 ARG 48 1HH2 ARG 48 16.569 -12.077 -5.706 394 2HH2 ARG 48 2HH2 ARG 48 15.397 -13.242 -5.189 395 H GLU 49 H GLU 49 11.663 -6.413 -1.398 396 HA GLU 49 HA GLU 49 11.941 -3.806 -1.448 397 1HB GLU 49 1HB GLU 49 13.501 -4.345 0.758 398 2HB GLU 49 2HB GLU 49 11.750 -4.410 0.736 399 1HG GLU 49 1HG GLU 49 11.691 -6.720 0.759 400 2HG GLU 49 2HG GLU 49 13.114 -6.877 -0.251 401 H GLY 50 H GLY 50 13.440 -2.237 -1.961 402 1HA GLY 50 1HA GLY 50 15.803 -1.605 -1.803 403 2HA GLY 50 2HA GLY 50 16.200 -3.168 -2.488 404 H ASP 51 H ASP 51 13.480 -2.700 -4.139 405 HA ASP 51 HA ASP 51 14.897 -1.654 -6.379 406 1HB ASP 51 1HB ASP 51 12.647 -3.354 -5.924 407 2HB ASP 51 2HB ASP 51 12.025 -1.968 -6.797 408 H ILE 52 H ILE 52 14.320 0.328 -7.515 409 HA ILE 52 HA ILE 52 13.053 2.285 -5.804 410 HB ILE 52 HB ILE 52 14.361 2.612 -8.505 411 1HG1 ILE 52 1HG1 ILE 52 15.621 3.087 -5.794 412 2HG1 ILE 52 2HG1 ILE 52 15.826 1.599 -6.696 413 1HG2 ILE 52 1HG2 ILE 52 14.651 4.983 -7.636 414 2HG2 ILE 52 2HG2 ILE 52 13.004 4.498 -8.107 415 3HG2 ILE 52 3HG2 ILE 52 13.455 4.564 -6.386 416 1HD1 ILE 52 1HD1 ILE 52 17.403 2.551 -8.011 417 2HD1 ILE 52 2HD1 ILE 52 16.291 3.867 -8.459 418 3HD1 ILE 52 3HD1 ILE 52 17.297 4.010 -6.998 419 H LEU 53 H LEU 53 10.995 3.021 -6.011 420 HA LEU 53 HA LEU 53 9.586 2.233 -8.467 421 1HB LEU 53 1HB LEU 53 8.169 2.544 -5.853 422 2HB LEU 53 2HB LEU 53 7.705 1.632 -7.277 423 HG LEU 53 HG LEU 53 9.662 0.892 -5.113 424 1HD1 LEU 53 1HD1 LEU 53 8.331 -1.057 -4.867 425 2HD1 LEU 53 2HD1 LEU 53 7.208 0.319 -4.982 426 3HD1 LEU 53 3HD1 LEU 53 7.460 -0.743 -6.388 427 1HD2 LEU 53 1HD2 LEU 53 10.009 0.352 -7.924 428 2HD2 LEU 53 2HD2 LEU 53 11.050 -0.078 -6.546 429 3HD2 LEU 53 3HD2 LEU 53 9.725 -1.162 -7.033 430 H MET 54 H MET 54 7.668 3.688 -8.951 431 HA MET 54 HA MET 54 8.460 6.410 -8.271 432 1HB MET 54 1HB MET 54 6.837 5.313 -10.636 433 2HB MET 54 2HB MET 54 7.245 7.003 -10.412 434 1HG MET 54 1HG MET 54 9.591 5.180 -10.270 435 2HG MET 54 2HG MET 54 8.781 5.166 -11.824 436 1HE MET 54 1HE MET 54 10.082 8.384 -9.233 437 2HE MET 54 2HE MET 54 10.665 6.702 -9.246 438 3HE MET 54 3HE MET 54 11.598 7.974 -10.070 439 H LEU 55 H LEU 55 7.136 7.527 -6.908 440 HA LEU 55 HA LEU 55 4.474 6.445 -6.447 441 1HB LEU 55 1HB LEU 55 6.078 8.527 -4.956 442 2HB LEU 55 2HB LEU 55 4.491 7.946 -4.492 443 HG LEU 55 HG LEU 55 6.600 6.994 -3.324 444 1HD1 LEU 55 1HD1 LEU 55 4.941 4.705 -4.182 445 2HD1 LEU 55 2HD1 LEU 55 5.290 5.336 -2.554 446 3HD1 LEU 55 3HD1 LEU 55 4.045 6.113 -3.562 447 1HD2 LEU 55 1HD2 LEU 55 7.790 6.489 -5.457 448 2HD2 LEU 55 2HD2 LEU 55 7.664 5.103 -4.347 449 3HD2 LEU 55 3HD2 LEU 55 6.597 5.206 -5.769 450 H LEU 56 H LEU 56 2.896 7.168 -7.772 451 HA LEU 56 HA LEU 56 3.107 9.941 -8.693 452 1HB LEU 56 1HB LEU 56 3.054 8.204 -10.416 453 2HB LEU 56 2HB LEU 56 1.529 7.609 -9.789 454 HG LEU 56 HG LEU 56 1.250 8.967 -11.816 455 1HD1 LEU 56 1HD1 LEU 56 -0.745 9.714 -11.126 456 2HD1 LEU 56 2HD1 LEU 56 -0.284 9.025 -9.551 457 3HD1 LEU 56 3HD1 LEU 56 -0.035 10.758 -9.871 458 1HD2 LEU 56 1HD2 LEU 56 3.213 10.584 -10.779 459 2HD2 LEU 56 2HD2 LEU 56 2.165 10.977 -12.163 460 3HD2 LEU 56 3HD2 LEU 56 1.744 11.559 -10.534 461 H ASP 57 H ASP 57 1.427 11.419 -8.348 462 HA ASP 57 HA ASP 57 0.081 11.219 -6.009 463 1HB ASP 57 1HB ASP 57 -1.032 13.211 -6.648 464 2HB ASP 57 2HB ASP 57 0.454 13.251 -7.577 465 H THR 58 H THR 58 -1.711 9.997 -5.386 466 HA THR 58 HA THR 58 -3.268 8.721 -7.511 467 HB THR 58 HB THR 58 -3.752 7.058 -5.849 468 HG1 THR 58 HG1 THR 58 -2.667 9.037 -3.974 469 1HG2 THR 58 1HG2 THR 58 -1.122 7.550 -6.360 470 2HG2 THR 58 2HG2 THR 58 -1.144 7.913 -4.617 471 3HG2 THR 58 3HG2 THR 58 -1.644 6.306 -5.199 472 H ILE 59 H ILE 59 -5.074 9.675 -8.186 473 HA ILE 59 HA ILE 59 -6.270 11.743 -6.645 474 HB ILE 59 HB ILE 59 -7.055 10.337 -9.196 475 1HG1 ILE 59 1HG1 ILE 59 -6.028 13.157 -8.820 476 2HG1 ILE 59 2HG1 ILE 59 -4.958 11.796 -9.088 477 1HG2 ILE 59 1HG2 ILE 59 -9.099 11.096 -8.229 478 2HG2 ILE 59 2HG2 ILE 59 -8.381 12.662 -7.784 479 3HG2 ILE 59 3HG2 ILE 59 -8.640 12.257 -9.498 480 1HD1 ILE 59 1HD1 ILE 59 -5.334 11.958 -11.311 481 2HD1 ILE 59 2HD1 ILE 59 -7.052 11.583 -11.033 482 3HD1 ILE 59 3HD1 ILE 59 -6.498 13.275 -11.030 483 H ARG 60 H ARG 60 -7.702 11.550 -5.013 484 HA ARG 60 HA ARG 60 -8.709 8.945 -4.458 485 1HB ARG 60 1HB ARG 60 -9.662 10.064 -2.408 486 2HB ARG 60 2HB ARG 60 -7.941 10.338 -2.591 487 1HG ARG 60 1HG ARG 60 -9.504 12.391 -4.001 488 2HG ARG 60 2HG ARG 60 -9.941 12.312 -2.305 489 1HD ARG 60 1HD ARG 60 -7.222 12.186 -2.061 490 2HD ARG 60 2HD ARG 60 -7.327 13.088 -3.560 491 HE ARG 60 HE ARG 60 -9.176 14.286 -1.789 492 1HH1 ARG 60 1HH1 ARG 60 -5.700 13.769 -1.954 493 2HH1 ARG 60 2HH1 ARG 60 -5.316 15.188 -1.037 494 1HH2 ARG 60 1HH2 ARG 60 -8.671 16.158 -0.579 495 2HH2 ARG 60 2HH2 ARG 60 -7.018 16.556 -0.250 496 H GLU 61 H GLU 61 -11.076 8.538 -4.042 497 HA GLU 61 HA GLU 61 -12.595 9.578 -6.173 498 1HB GLU 61 1HB GLU 61 -14.375 8.106 -5.324 499 2HB GLU 61 2HB GLU 61 -12.844 7.255 -5.353 500 1HG GLU 61 1HG GLU 61 -13.162 8.623 -2.795 501 2HG GLU 61 2HG GLU 61 -14.574 7.636 -3.118 502 H ALA 62 H ALA 62 -14.566 10.851 -6.065 503 HA ALA 62 HA ALA 62 -14.514 12.695 -3.804 504 1HB ALA 62 1HB ALA 62 -15.719 12.789 -6.593 505 2HB ALA 62 2HB ALA 62 -16.019 14.034 -5.357 506 3HB ALA 62 3HB ALA 62 -14.366 13.752 -5.953 507 H LYS 63 H LYS 63 -16.008 12.575 -2.203 508 HA LYS 63 HA LYS 63 -18.265 10.775 -2.658 509 1HB LYS 63 1HB LYS 63 -17.014 11.833 -0.107 510 2HB LYS 63 2HB LYS 63 -18.439 10.815 -0.164 511 1HG LYS 63 1HG LYS 63 -15.836 9.987 -1.513 512 2HG LYS 63 2HG LYS 63 -16.139 9.649 0.180 513 1HD LYS 63 1HD LYS 63 -17.003 7.697 -0.721 514 2HD LYS 63 2HD LYS 63 -18.455 8.677 -0.779 515 1HE LYS 63 1HE LYS 63 -18.432 8.821 -3.076 516 2HE LYS 63 2HE LYS 63 -16.691 9.002 -3.153 517 1HZ LYS 63 1HZ LYS 63 -16.517 6.628 -2.674 518 2HZ LYS 63 2HZ LYS 63 -18.144 6.487 -2.712 519 3HZ LYS 63 3HZ LYS 63 -17.330 6.915 -4.061 520 H GLU 64 H GLU 64 -20.282 11.560 -2.967 521 HA GLU 64 HA GLU 64 -20.594 14.414 -2.613 522 1HB GLU 64 1HB GLU 64 -21.205 13.484 -4.804 523 2HB GLU 64 2HB GLU 64 -22.305 12.343 -4.056 524 1HG GLU 64 1HG GLU 64 -23.801 14.102 -3.336 525 2HG GLU 64 2HG GLU 64 -22.621 15.350 -3.682 526 H ILE 65 H ILE 65 -22.403 15.329 -1.432 527 HA ILE 65 HA ILE 65 -23.263 13.562 0.719 528 HB ILE 65 HB ILE 65 -23.249 16.559 0.382 529 1HG1 ILE 65 1HG1 ILE 65 -21.870 15.346 2.669 530 2HG1 ILE 65 2HG1 ILE 65 -21.229 14.816 1.127 531 1HG2 ILE 65 1HG2 ILE 65 -24.220 14.984 2.780 532 2HG2 ILE 65 2HG2 ILE 65 -24.142 16.754 2.614 533 3HG2 ILE 65 3HG2 ILE 65 -25.270 15.814 1.607 534 1HD1 ILE 65 1HD1 ILE 65 -20.001 16.776 1.475 535 2HD1 ILE 65 2HD1 ILE 65 -21.356 17.396 0.502 536 3HD1 ILE 65 3HD1 ILE 65 -21.359 17.607 2.270 537 H ARG 66 H ARG 66 -25.226 12.620 0.677 538 HA ARG 66 HA ARG 66 -27.054 13.512 -1.338 539 1HB ARG 66 1HB ARG 66 -27.048 11.162 0.611 540 2HB ARG 66 2HB ARG 66 -28.410 11.486 -0.443 541 1HG ARG 66 1HG ARG 66 -27.347 10.577 -2.233 542 2HG ARG 66 2HG ARG 66 -25.928 11.574 -1.977 543 1HD ARG 66 1HD ARG 66 -24.793 9.903 -0.883 544 2HD ARG 66 2HD ARG 66 -26.204 9.402 0.027 545 HE ARG 66 HE ARG 66 -26.568 8.682 -2.729 546 1HH1 ARG 66 1HH1 ARG 66 -24.678 7.771 0.096 547 2HH1 ARG 66 2HH1 ARG 66 -24.478 6.126 -0.409 548 1HH2 ARG 66 1HH2 ARG 66 -26.305 6.512 -3.397 549 2HH2 ARG 66 2HH2 ARG 66 -25.410 5.405 -2.409 550 H THR 67 H THR 67 -29.081 14.497 -0.942 551 HA THR 67 HA THR 67 -29.564 15.230 1.869 552 HB THR 67 HB THR 67 -30.677 17.242 0.857 553 HG1 THR 67 HG1 THR 67 -30.549 17.361 -1.483 554 1HG2 THR 67 1HG2 THR 67 -28.287 17.575 1.268 555 2HG2 THR 67 2HG2 THR 67 -27.862 16.628 -0.178 556 3HG2 THR 67 3HG2 THR 67 -28.644 18.217 -0.353 557 HA PRO 68 HA PRO 68 -33.274 13.077 1.697 558 1HB PRO 68 1HB PRO 68 -34.629 14.243 3.764 559 2HB PRO 68 2HB PRO 68 -33.410 13.005 3.995 560 1HG PRO 68 1HG PRO 68 -33.211 15.915 4.476 561 2HG PRO 68 2HG PRO 68 -32.187 14.629 5.083 562 1HD PRO 68 1HD PRO 68 -31.575 16.447 2.951 563 2HD PRO 68 2HD PRO 68 -30.603 15.089 3.482 Start of MODEL 10 1 HA MET 1 HA MET 1 2.587 15.052 -15.019 2 1HB MET 1 1HB MET 1 0.307 14.651 -13.366 3 2HB MET 1 2HB MET 1 1.618 13.904 -12.475 4 1HG MET 1 1HG MET 1 2.876 16.207 -13.201 5 2HG MET 1 2HG MET 1 1.224 16.792 -13.210 6 1HE MET 1 1HE MET 1 0.768 18.206 -11.162 7 2HE MET 1 2HE MET 1 1.847 18.127 -9.749 8 3HE MET 1 3HE MET 1 2.526 18.387 -11.373 9 H ASP 2 H ASP 2 4.635 14.247 -14.725 10 HA ASP 2 HA ASP 2 4.790 11.381 -14.295 11 1HB ASP 2 1HB ASP 2 5.935 12.786 -16.256 12 2HB ASP 2 2HB ASP 2 7.145 13.133 -15.037 13 H ASP 3 H ASP 3 4.994 14.358 -12.667 14 HA ASP 3 HA ASP 3 7.246 14.326 -11.208 15 1HB ASP 3 1HB ASP 3 4.438 14.911 -10.154 16 2HB ASP 3 2HB ASP 3 5.928 15.481 -9.428 17 H ALA 4 H ALA 4 8.001 12.243 -10.526 18 HA ALA 4 HA ALA 4 6.282 10.909 -8.549 19 1HB ALA 4 1HB ALA 4 6.474 9.712 -10.773 20 2HB ALA 4 2HB ALA 4 8.220 9.555 -10.463 21 3HB ALA 4 3HB ALA 4 7.049 8.777 -9.372 22 H THR 5 H THR 5 7.366 10.032 -6.707 23 HA THR 5 HA THR 5 9.986 11.269 -6.270 24 HB THR 5 HB THR 5 7.601 11.171 -4.777 25 HG1 THR 5 HG1 THR 5 10.430 11.494 -4.052 26 1HG2 THR 5 1HG2 THR 5 7.915 8.983 -3.835 27 2HG2 THR 5 2HG2 THR 5 9.681 9.189 -3.753 28 3HG2 THR 5 3HG2 THR 5 8.628 10.085 -2.632 29 HA PRO 6 HA PRO 6 11.840 7.389 -6.624 30 1HB PRO 6 1HB PRO 6 14.384 8.111 -5.933 31 2HB PRO 6 2HB PRO 6 13.737 8.310 -7.549 32 1HG PRO 6 1HG PRO 6 14.209 10.364 -5.477 33 2HG PRO 6 2HG PRO 6 13.976 10.578 -7.200 34 1HD PRO 6 1HD PRO 6 12.048 11.070 -5.134 35 2HD PRO 6 2HD PRO 6 11.780 11.172 -6.862 36 H ALA 7 H ALA 7 11.261 5.794 -5.295 37 HA ALA 7 HA ALA 7 12.354 6.056 -2.584 38 1HB ALA 7 1HB ALA 7 9.734 4.674 -2.939 39 2HB ALA 7 2HB ALA 7 10.320 5.689 -1.600 40 3HB ALA 7 3HB ALA 7 9.725 6.447 -3.096 41 H GLU 8 H GLU 8 12.684 3.939 -1.505 42 HA GLU 8 HA GLU 8 13.189 1.908 -3.534 43 1HB GLU 8 1HB GLU 8 14.523 2.312 -0.819 44 2HB GLU 8 2HB GLU 8 14.918 1.037 -1.955 45 1HG GLU 8 1HG GLU 8 15.571 2.734 -3.659 46 2HG GLU 8 2HG GLU 8 15.135 4.025 -2.556 47 H VAL 9 H VAL 9 12.255 -0.123 -3.335 48 HA VAL 9 HA VAL 9 10.012 -0.440 -1.769 49 HB VAL 9 HB VAL 9 11.827 -2.592 -2.874 50 1HG1 VAL 9 1HG1 VAL 9 10.172 -4.102 -2.530 51 2HG1 VAL 9 2HG1 VAL 9 9.683 -2.958 -1.257 52 3HG1 VAL 9 3HG1 VAL 9 8.878 -2.921 -2.843 53 1HG2 VAL 9 1HG2 VAL 9 10.143 -2.444 -4.832 54 2HG2 VAL 9 2HG2 VAL 9 9.764 -0.826 -4.193 55 3HG2 VAL 9 3HG2 VAL 9 11.420 -1.209 -4.721 56 H ILE 10 H ILE 10 9.708 -0.748 0.373 57 HA ILE 10 HA ILE 10 12.047 -1.552 1.929 58 HB ILE 10 HB ILE 10 10.841 -0.632 3.834 59 1HG1 ILE 10 1HG1 ILE 10 8.695 0.312 1.925 60 2HG1 ILE 10 2HG1 ILE 10 8.543 -1.170 2.848 61 1HG2 ILE 10 1HG2 ILE 10 10.610 1.569 1.854 62 2HG2 ILE 10 2HG2 ILE 10 11.480 1.496 3.405 63 3HG2 ILE 10 3HG2 ILE 10 12.180 0.738 1.955 64 1HD1 ILE 10 1HD1 ILE 10 7.513 0.887 3.942 65 2HD1 ILE 10 2HD1 ILE 10 8.688 0.016 4.957 66 3HD1 ILE 10 3HD1 ILE 10 9.164 1.523 4.137 67 H GLU 11 H GLU 11 8.615 -2.358 1.223 68 HA GLU 11 HA GLU 11 9.187 -4.968 2.377 69 1HB GLU 11 1HB GLU 11 7.794 -4.178 4.064 70 2HB GLU 11 2HB GLU 11 6.919 -3.100 2.995 71 1HG GLU 11 1HG GLU 11 5.524 -5.043 3.731 72 2HG GLU 11 2HG GLU 11 5.702 -4.976 1.989 73 H VAL 12 H VAL 12 8.388 -6.741 1.194 74 HA VAL 12 HA VAL 12 6.890 -6.029 -1.232 75 HB VAL 12 HB VAL 12 8.980 -6.478 -2.079 76 1HG1 VAL 12 1HG1 VAL 12 10.569 -8.084 -1.249 77 2HG1 VAL 12 2HG1 VAL 12 9.962 -7.137 0.131 78 3HG1 VAL 12 3HG1 VAL 12 9.360 -8.789 -0.149 79 1HG2 VAL 12 1HG2 VAL 12 8.465 -9.345 -2.214 80 2HG2 VAL 12 2HG2 VAL 12 6.990 -8.389 -2.493 81 3HG2 VAL 12 3HG2 VAL 12 8.431 -8.116 -3.501 82 H LEU 13 H LEU 13 5.034 -7.178 -1.574 83 HA LEU 13 HA LEU 13 4.531 -9.350 0.331 84 1HB LEU 13 1HB LEU 13 2.281 -8.198 -1.177 85 2HB LEU 13 2HB LEU 13 2.398 -8.674 0.505 86 HG LEU 13 HG LEU 13 2.023 -6.345 0.497 87 1HD1 LEU 13 1HD1 LEU 13 5.007 -6.372 0.847 88 2HD1 LEU 13 2HD1 LEU 13 3.754 -5.561 1.817 89 3HD1 LEU 13 3HD1 LEU 13 3.963 -7.325 1.928 90 1HD2 LEU 13 1HD2 LEU 13 2.576 -4.979 -1.164 91 2HD2 LEU 13 2HD2 LEU 13 4.309 -5.326 -0.953 92 3HD2 LEU 13 3HD2 LEU 13 3.312 -6.373 -1.991 93 H LYS 14 H LYS 14 5.022 -11.295 -0.545 94 HA LYS 14 HA LYS 14 3.931 -11.819 -3.208 95 1HB LYS 14 1HB LYS 14 5.916 -12.766 -4.026 96 2HB LYS 14 2HB LYS 14 6.411 -11.254 -3.293 97 1HG LYS 14 1HG LYS 14 6.529 -13.119 -1.173 98 2HG LYS 14 2HG LYS 14 7.142 -14.004 -2.556 99 1HD LYS 14 1HD LYS 14 8.242 -11.300 -2.544 100 2HD LYS 14 2HD LYS 14 8.524 -12.062 -0.991 101 1HE LYS 14 1HE LYS 14 9.261 -14.149 -2.492 102 2HE LYS 14 2HE LYS 14 9.481 -12.926 -3.728 103 1HZ LYS 14 1HZ LYS 14 11.251 -13.533 -1.801 104 2HZ LYS 14 2HZ LYS 14 11.273 -12.171 -2.701 105 3HZ LYS 14 3HZ LYS 14 10.579 -12.162 -1.222 106 H ARG 15 H ARG 15 3.044 -13.875 -3.459 107 HA ARG 15 HA ARG 15 3.165 -15.487 -1.036 108 1HB ARG 15 1HB ARG 15 0.877 -14.568 -2.703 109 2HB ARG 15 2HB ARG 15 0.826 -16.280 -2.332 110 1HG ARG 15 1HG ARG 15 -0.322 -15.260 -0.514 111 2HG ARG 15 2HG ARG 15 1.266 -15.619 0.132 112 1HD ARG 15 1HD ARG 15 1.445 -13.025 -1.089 113 2HD ARG 15 2HD ARG 15 -0.032 -13.036 -0.146 114 HE ARG 15 HE ARG 15 2.227 -14.187 1.307 115 1HH1 ARG 15 1HH1 ARG 15 0.608 -11.181 0.454 116 2HH1 ARG 15 2HH1 ARG 15 1.228 -10.311 1.817 117 1HH2 ARG 15 1HH2 ARG 15 3.045 -13.039 3.106 118 2HH2 ARG 15 2HH2 ARG 15 2.624 -11.375 3.336 119 H THR 16 H THR 16 4.099 -17.487 -1.347 120 HA THR 16 HA THR 16 4.972 -19.258 -2.374 121 HB THR 16 HB THR 16 2.457 -18.862 -4.077 122 HG1 THR 16 HG1 THR 16 1.596 -20.017 -2.349 123 1HG2 THR 16 1HG2 THR 16 4.620 -20.858 -4.238 124 2HG2 THR 16 2HG2 THR 16 3.064 -21.605 -3.802 125 3HG2 THR 16 3HG2 THR 16 3.205 -20.651 -5.298 126 H GLY 17 H GLY 17 6.943 -18.832 -3.186 127 1HA GLY 17 1HA GLY 17 7.451 -17.006 -5.255 128 2HA GLY 17 2HA GLY 17 8.537 -18.244 -4.656 129 H MET 18 H MET 18 7.966 -17.311 -7.473 130 HA MET 18 HA MET 18 7.699 -18.133 -9.468 131 1HB MET 18 1HB MET 18 8.512 -20.561 -7.846 132 2HB MET 18 2HB MET 18 8.015 -20.830 -9.505 133 1HG MET 18 1HG MET 18 10.121 -18.752 -8.755 134 2HG MET 18 2HG MET 18 10.535 -20.417 -9.112 135 1HE MET 18 1HE MET 18 10.843 -17.453 -12.127 136 2HE MET 18 2HE MET 18 10.322 -17.037 -10.477 137 3HE MET 18 3HE MET 18 11.763 -18.051 -10.726 138 H THR 19 H THR 19 5.290 -17.485 -8.618 139 HA THR 19 HA THR 19 3.572 -19.848 -8.934 140 HB THR 19 HB THR 19 3.315 -18.450 -6.861 141 HG1 THR 19 HG1 THR 19 1.213 -18.044 -8.866 142 1HG2 THR 19 1HG2 THR 19 2.810 -16.293 -8.955 143 2HG2 THR 19 2HG2 THR 19 2.043 -16.211 -7.351 144 3HG2 THR 19 3HG2 THR 19 3.818 -16.193 -7.491 145 H GLY 20 H GLY 20 5.040 -17.523 -10.806 146 1HA GLY 20 1HA GLY 20 4.600 -16.624 -12.821 147 2HA GLY 20 2HA GLY 20 3.645 -18.065 -13.106 148 H GLU 21 H GLU 21 3.560 -14.694 -11.887 149 HA GLU 21 HA GLU 21 1.137 -14.164 -13.054 150 1HB GLU 21 1HB GLU 21 0.682 -15.723 -10.806 151 2HB GLU 21 2HB GLU 21 0.507 -14.105 -10.155 152 1HG GLU 21 1HG GLU 21 -1.139 -13.547 -11.942 153 2HG GLU 21 2HG GLU 21 -0.942 -15.143 -12.638 154 H VAL 22 H VAL 22 0.098 -12.200 -11.215 155 HA VAL 22 HA VAL 22 2.360 -10.347 -11.252 156 HB VAL 22 HB VAL 22 -0.634 -10.039 -11.327 157 1HG1 VAL 22 1HG1 VAL 22 0.286 -7.471 -11.522 158 2HG1 VAL 22 2HG1 VAL 22 -0.386 -8.200 -10.043 159 3HG1 VAL 22 3HG1 VAL 22 1.376 -8.142 -10.285 160 1HG2 VAL 22 1HG2 VAL 22 0.189 -8.525 -13.321 161 2HG2 VAL 22 2HG2 VAL 22 1.659 -9.521 -13.193 162 3HG2 VAL 22 3HG2 VAL 22 0.086 -10.293 -13.505 163 H MET 23 H MET 23 3.283 -9.641 -9.387 164 HA MET 23 HA MET 23 1.839 -10.323 -6.944 165 1HB MET 23 1HB MET 23 3.961 -10.787 -5.922 166 2HB MET 23 2HB MET 23 4.131 -11.451 -7.535 167 1HG MET 23 1HG MET 23 4.920 -8.779 -7.871 168 2HG MET 23 2HG MET 23 5.551 -9.178 -6.286 169 1HE MET 23 1HE MET 23 7.629 -10.295 -5.886 170 2HE MET 23 2HE MET 23 8.779 -10.633 -7.202 171 3HE MET 23 3HE MET 23 8.083 -9.004 -7.025 172 H GLN 24 H GLN 24 2.236 -8.838 -5.052 173 HA GLN 24 HA GLN 24 2.476 -6.121 -6.063 174 1HB GLN 24 1HB GLN 24 1.149 -5.441 -4.119 175 2HB GLN 24 2HB GLN 24 0.320 -6.724 -4.978 176 1HG GLN 24 1HG GLN 24 1.992 -8.064 -3.119 177 2HG GLN 24 2HG GLN 24 1.346 -6.698 -2.232 178 1HE2 GLN 24 1HE2 GLN 24 -0.792 -6.564 -1.749 179 2HE2 GLN 24 2HE2 GLN 24 -1.939 -7.836 -2.009 180 H VAL 25 H VAL 25 3.592 -4.501 -4.653 181 HA VAL 25 HA VAL 25 5.450 -5.686 -2.747 182 HB VAL 25 HB VAL 25 6.346 -5.487 -5.197 183 1HG1 VAL 25 1HG1 VAL 25 7.330 -3.367 -5.774 184 2HG1 VAL 25 2HG1 VAL 25 5.602 -3.105 -5.435 185 3HG1 VAL 25 3HG1 VAL 25 6.826 -2.653 -4.223 186 1HG2 VAL 25 1HG2 VAL 25 7.673 -4.827 -2.596 187 2HG2 VAL 25 2HG2 VAL 25 7.925 -6.206 -3.694 188 3HG2 VAL 25 3HG2 VAL 25 8.602 -4.610 -4.099 189 H LYS 26 H LYS 26 6.310 -4.115 -1.224 190 HA LYS 26 HA LYS 26 4.624 -1.714 -1.132 191 1HB LYS 26 1HB LYS 26 4.527 -3.594 0.684 192 2HB LYS 26 2HB LYS 26 6.027 -2.892 1.255 193 1HG LYS 26 1HG LYS 26 4.688 -0.595 1.065 194 2HG LYS 26 2HG LYS 26 3.277 -1.634 1.125 195 1HD LYS 26 1HD LYS 26 5.529 -1.719 3.187 196 2HD LYS 26 2HD LYS 26 4.062 -0.782 3.391 197 1HE LYS 26 1HE LYS 26 3.537 -3.599 2.631 198 2HE LYS 26 2HE LYS 26 4.404 -3.450 4.146 199 1HZ LYS 26 1HZ LYS 26 1.821 -3.261 4.017 200 2HZ LYS 26 2HZ LYS 26 2.676 -2.401 5.110 201 3HZ LYS 26 3HZ LYS 26 2.148 -1.686 3.740 202 H CYS 27 H CYS 27 5.567 0.301 -1.032 203 HA CYS 27 HA CYS 27 8.454 0.374 -0.666 204 1HB CYS 27 1HB CYS 27 8.766 1.840 -2.599 205 2HB CYS 27 2HB CYS 27 8.147 0.276 -3.091 206 HG CYS 27 HG CYS 27 7.150 2.983 -3.910 207 H ARG 28 H ARG 28 9.091 2.213 0.513 208 HA ARG 28 HA ARG 28 6.886 3.970 1.223 209 1HB ARG 28 1HB ARG 28 7.884 2.672 3.114 210 2HB ARG 28 2HB ARG 28 9.463 3.339 2.750 211 1HG ARG 28 1HG ARG 28 7.549 5.513 3.005 212 2HG ARG 28 2HG ARG 28 7.422 4.471 4.409 213 1HD ARG 28 1HD ARG 28 10.229 5.003 3.611 214 2HD ARG 28 2HD ARG 28 9.349 6.458 4.035 215 HE ARG 28 HE ARG 28 8.812 4.425 5.996 216 1HH1 ARG 28 1HH1 ARG 28 11.375 6.590 4.936 217 2HH1 ARG 28 2HH1 ARG 28 12.131 6.665 6.493 218 1HH2 ARG 28 1HH2 ARG 28 9.808 4.523 8.050 219 2HH2 ARG 28 2HH2 ARG 28 11.233 5.481 8.276 220 H ILE 29 H ILE 29 7.135 6.228 0.973 221 HA ILE 29 HA ILE 29 8.920 7.153 -0.912 222 HB ILE 29 HB ILE 29 7.142 8.409 1.130 223 1HG1 ILE 29 1HG1 ILE 29 7.211 8.019 -1.828 224 2HG1 ILE 29 2HG1 ILE 29 5.886 7.826 -0.697 225 1HG2 ILE 29 1HG2 ILE 29 8.970 10.021 -0.668 226 2HG2 ILE 29 2HG2 ILE 29 7.765 10.638 0.488 227 3HG2 ILE 29 3HG2 ILE 29 9.214 9.790 1.080 228 1HD1 ILE 29 1HD1 ILE 29 5.600 9.823 -2.183 229 2HD1 ILE 29 2HD1 ILE 29 5.659 10.264 -0.460 230 3HD1 ILE 29 3HD1 ILE 29 7.086 10.518 -1.493 231 H LEU 30 H LEU 30 10.964 8.055 -0.883 232 HA LEU 30 HA LEU 30 12.348 7.807 1.686 233 1HB LEU 30 1HB LEU 30 13.287 7.698 -1.175 234 2HB LEU 30 2HB LEU 30 14.394 7.888 0.170 235 HG LEU 30 HG LEU 30 12.578 5.535 -0.395 236 1HD1 LEU 30 1HD1 LEU 30 15.595 5.665 -0.163 237 2HD1 LEU 30 2HD1 LEU 30 14.603 4.273 -0.660 238 3HD1 LEU 30 3HD1 LEU 30 14.694 5.717 -1.697 239 1HD2 LEU 30 1HD2 LEU 30 12.446 5.728 1.940 240 2HD2 LEU 30 2HD2 LEU 30 13.732 4.531 1.652 241 3HD2 LEU 30 3HD2 LEU 30 14.154 6.204 2.089 242 H ASP 31 H ASP 31 11.044 10.056 -0.606 243 HA ASP 31 HA ASP 31 11.950 12.193 1.007 244 1HB ASP 31 1HB ASP 31 12.968 11.917 -1.857 245 2HB ASP 31 2HB ASP 31 12.977 13.440 -0.991 246 H GLY 32 H GLY 32 10.780 14.225 0.382 247 1HA GLY 32 1HA GLY 32 9.378 15.148 -1.502 248 2HA GLY 32 2HA GLY 32 8.468 13.656 -1.369 249 H ARG 33 H ARG 33 7.092 16.019 -1.027 250 HA ARG 33 HA ARG 33 7.085 16.975 1.567 251 1HB ARG 33 1HB ARG 33 6.033 18.075 -0.470 252 2HB ARG 33 2HB ARG 33 4.744 16.890 -0.403 253 1HG ARG 33 1HG ARG 33 5.253 18.258 2.188 254 2HG ARG 33 2HG ARG 33 4.729 19.336 0.910 255 1HD ARG 33 1HD ARG 33 2.835 17.612 0.447 256 2HD ARG 33 2HD ARG 33 3.277 16.877 1.976 257 HE ARG 33 HE ARG 33 1.827 19.365 1.618 258 1HH1 ARG 33 1HH1 ARG 33 4.084 17.718 3.757 259 2HH1 ARG 33 2HH1 ARG 33 3.617 18.625 5.157 260 1HH2 ARG 33 1HH2 ARG 33 1.211 20.561 3.465 261 2HH2 ARG 33 2HH2 ARG 33 1.972 20.253 4.990 262 H ASP 34 H ASP 34 5.952 13.993 0.199 263 HA ASP 34 HA ASP 34 4.094 13.610 2.394 264 1HB ASP 34 1HB ASP 34 4.643 11.962 -0.120 265 2HB ASP 34 2HB ASP 34 3.471 11.514 1.104 266 H LYS 35 H LYS 35 7.292 13.470 2.098 267 HA LYS 35 HA LYS 35 8.498 11.198 2.227 268 1HB LYS 35 1HB LYS 35 9.049 13.627 3.266 269 2HB LYS 35 2HB LYS 35 8.863 12.723 4.756 270 1HG LYS 35 1HG LYS 35 10.546 11.084 4.050 271 2HG LYS 35 2HG LYS 35 10.632 11.792 2.449 272 1HD LYS 35 1HD LYS 35 11.615 12.957 5.075 273 2HD LYS 35 2HD LYS 35 12.527 12.672 3.607 274 1HE LYS 35 1HE LYS 35 10.917 14.410 2.494 275 2HE LYS 35 2HE LYS 35 10.460 14.842 4.130 276 1HZ LYS 35 1HZ LYS 35 13.282 14.672 3.719 277 2HZ LYS 35 2HZ LYS 35 12.559 15.838 2.833 278 3HZ LYS 35 3HZ LYS 35 12.405 15.834 4.459 279 H GLY 36 H GLY 36 8.412 9.193 3.138 280 1HA GLY 36 1HA GLY 36 7.976 7.673 4.830 281 2HA GLY 36 2HA GLY 36 6.937 8.833 5.634 282 H ARG 37 H ARG 37 5.925 9.250 2.563 283 HA ARG 37 HA ARG 37 3.573 7.858 2.965 284 1HB ARG 37 1HB ARG 37 4.554 9.781 1.153 285 2HB ARG 37 2HB ARG 37 4.184 8.411 0.126 286 1HG ARG 37 1HG ARG 37 1.931 8.393 1.640 287 2HG ARG 37 2HG ARG 37 2.332 10.092 1.795 288 1HD ARG 37 1HD ARG 37 2.454 10.276 -0.713 289 2HD ARG 37 2HD ARG 37 2.010 8.586 -0.848 290 HE ARG 37 HE ARG 37 -0.033 9.550 0.692 291 1HH1 ARG 37 1HH1 ARG 37 1.403 10.740 -2.292 292 2HH1 ARG 37 2HH1 ARG 37 -0.061 11.478 -2.852 293 1HH2 ARG 37 1HH2 ARG 37 -1.964 10.523 -0.046 294 2HH2 ARG 37 2HH2 ARG 37 -1.989 11.354 -1.566 295 H ILE 38 H ILE 38 2.987 5.740 2.522 296 HA ILE 38 HA ILE 38 4.865 4.198 0.869 297 HB ILE 38 HB ILE 38 3.190 3.251 3.197 298 1HG1 ILE 38 1HG1 ILE 38 5.996 2.939 3.626 299 2HG1 ILE 38 2HG1 ILE 38 5.713 4.602 3.150 300 1HG2 ILE 38 1HG2 ILE 38 5.299 1.772 1.602 301 2HG2 ILE 38 2HG2 ILE 38 4.336 1.140 2.959 302 3HG2 ILE 38 3HG2 ILE 38 3.541 1.559 1.423 303 1HD1 ILE 38 1HD1 ILE 38 4.290 5.036 4.975 304 2HD1 ILE 38 2HD1 ILE 38 3.888 3.316 5.195 305 3HD1 ILE 38 3HD1 ILE 38 5.486 3.926 5.687 306 H LEU 39 H LEU 39 4.046 3.038 -0.846 307 HA LEU 39 HA LEU 39 1.130 2.924 -1.063 308 1HB LEU 39 1HB LEU 39 3.061 4.028 -3.097 309 2HB LEU 39 2HB LEU 39 1.459 3.462 -3.525 310 HG LEU 39 HG LEU 39 1.372 5.834 -3.307 311 1HD1 LEU 39 1HD1 LEU 39 -0.314 4.141 -1.955 312 2HD1 LEU 39 2HD1 LEU 39 0.124 5.326 -0.700 313 3HD1 LEU 39 3HD1 LEU 39 -0.590 5.877 -2.235 314 1HD2 LEU 39 1HD2 LEU 39 3.353 5.502 -1.356 315 2HD2 LEU 39 2HD2 LEU 39 2.629 7.027 -1.919 316 3HD2 LEU 39 3HD2 LEU 39 1.957 6.195 -0.496 317 H THR 40 H THR 40 0.334 1.103 -2.218 318 HA THR 40 HA THR 40 2.410 -0.884 -2.871 319 HB THR 40 HB THR 40 -0.267 -1.791 -1.865 320 HG1 THR 40 HG1 THR 40 1.878 -0.545 -0.291 321 1HG2 THR 40 1HG2 THR 40 2.157 -3.037 -2.278 322 2HG2 THR 40 2HG2 THR 40 2.311 -2.575 -0.566 323 3HG2 THR 40 3HG2 THR 40 0.954 -3.600 -1.092 324 H ARG 41 H ARG 41 2.276 -1.883 -4.811 325 HA ARG 41 HA ARG 41 -0.238 -1.656 -6.208 326 1HB ARG 41 1HB ARG 41 2.417 -0.508 -7.127 327 2HB ARG 41 2HB ARG 41 1.278 -1.088 -8.326 328 1HG ARG 41 1HG ARG 41 0.302 0.963 -8.190 329 2HG ARG 41 2HG ARG 41 -0.359 0.429 -6.657 330 1HD ARG 41 1HD ARG 41 0.972 1.857 -5.479 331 2HD ARG 41 2HD ARG 41 2.413 1.331 -6.326 332 HE ARG 41 HE ARG 41 0.883 2.947 -8.116 333 1HH1 ARG 41 1HH1 ARG 41 2.749 3.268 -5.150 334 2HH1 ARG 41 2HH1 ARG 41 3.178 4.919 -5.447 335 1HH2 ARG 41 1HH2 ARG 41 1.449 5.126 -8.509 336 2HH2 ARG 41 2HH2 ARG 41 2.434 5.983 -7.371 337 H ASN 42 H ASN 42 -0.353 -3.193 -8.098 338 HA ASN 42 HA ASN 42 1.126 -5.554 -7.450 339 1HB ASN 42 1HB ASN 42 -1.293 -4.846 -9.070 340 2HB ASN 42 2HB ASN 42 -0.370 -6.204 -9.683 341 1HD2 ASN 42 1HD2 ASN 42 0.450 -7.689 -7.808 342 2HD2 ASN 42 2HD2 ASN 42 -0.763 -8.209 -6.685 343 H VAL 43 H VAL 43 3.044 -6.072 -8.516 344 HA VAL 43 HA VAL 43 3.362 -5.084 -11.256 345 HB VAL 43 HB VAL 43 4.557 -3.577 -9.779 346 1HG1 VAL 43 1HG1 VAL 43 4.863 -5.522 -8.020 347 2HG1 VAL 43 2HG1 VAL 43 6.411 -5.754 -8.868 348 3HG1 VAL 43 3HG1 VAL 43 6.034 -4.185 -8.116 349 1HG2 VAL 43 1HG2 VAL 43 5.616 -4.909 -11.978 350 2HG2 VAL 43 2HG2 VAL 43 6.241 -3.411 -11.248 351 3HG2 VAL 43 3HG2 VAL 43 6.921 -4.985 -10.769 352 H MET 44 H MET 44 4.400 -6.521 -12.669 353 HA MET 44 HA MET 44 4.660 -9.185 -11.559 354 1HB MET 44 1HB MET 44 3.306 -8.367 -13.744 355 2HB MET 44 2HB MET 44 4.873 -8.513 -14.514 356 1HG MET 44 1HG MET 44 5.020 -10.895 -13.621 357 2HG MET 44 2HG MET 44 3.380 -10.727 -13.026 358 1HE MET 44 1HE MET 44 5.774 -10.433 -15.741 359 2HE MET 44 2HE MET 44 5.215 -11.928 -16.530 360 3HE MET 44 3HE MET 44 4.865 -10.347 -17.269 361 H GLY 45 H GLY 45 6.629 -10.166 -11.287 362 1HA GLY 45 1HA GLY 45 8.780 -10.502 -12.595 363 2HA GLY 45 2HA GLY 45 8.975 -8.771 -12.412 364 HA PRO 46 HA PRO 46 10.417 -11.083 -8.622 365 1HB PRO 46 1HB PRO 46 13.055 -11.556 -9.154 366 2HB PRO 46 2HB PRO 46 11.806 -12.769 -9.349 367 1HG PRO 46 1HG PRO 46 13.225 -11.218 -11.428 368 2HG PRO 46 2HG PRO 46 12.307 -12.701 -11.599 369 1HD PRO 46 1HD PRO 46 11.452 -10.061 -12.323 370 2HD PRO 46 2HD PRO 46 10.494 -11.527 -12.386 371 H ILE 47 H ILE 47 9.877 -9.025 -7.764 372 HA ILE 47 HA ILE 47 12.320 -7.421 -7.493 373 HB ILE 47 HB ILE 47 10.821 -6.358 -9.086 374 1HG1 ILE 47 1HG1 ILE 47 12.217 -5.093 -7.327 375 2HG1 ILE 47 2HG1 ILE 47 10.999 -4.209 -8.225 376 1HG2 ILE 47 1HG2 ILE 47 8.626 -6.612 -8.872 377 2HG2 ILE 47 2HG2 ILE 47 8.789 -7.168 -7.189 378 3HG2 ILE 47 3HG2 ILE 47 8.680 -5.427 -7.546 379 1HD1 ILE 47 1HD1 ILE 47 9.854 -5.439 -5.817 380 2HD1 ILE 47 2HD1 ILE 47 11.218 -4.363 -5.429 381 3HD1 ILE 47 3HD1 ILE 47 9.823 -3.738 -6.341 382 H ARG 48 H ARG 48 12.944 -7.137 -5.417 383 HA ARG 48 HA ARG 48 10.858 -7.486 -3.418 384 1HB ARG 48 1HB ARG 48 12.654 -8.536 -1.946 385 2HB ARG 48 2HB ARG 48 12.214 -9.501 -3.341 386 1HG ARG 48 1HG ARG 48 14.559 -7.558 -3.409 387 2HG ARG 48 2HG ARG 48 14.745 -9.209 -2.854 388 1HD ARG 48 1HD ARG 48 13.281 -9.309 -5.332 389 2HD ARG 48 2HD ARG 48 14.639 -8.229 -5.578 390 HE ARG 48 HE ARG 48 14.771 -11.104 -5.186 391 1HH1 ARG 48 1HH1 ARG 48 16.535 -8.109 -4.637 392 2HH1 ARG 48 2HH1 ARG 48 18.087 -8.878 -4.612 393 1HH2 ARG 48 1HH2 ARG 48 16.818 -12.119 -5.152 394 2HH2 ARG 48 2HH2 ARG 48 18.249 -11.174 -4.907 395 H GLU 49 H GLU 49 11.397 -6.383 -1.284 396 HA GLU 49 HA GLU 49 11.784 -3.825 -1.411 397 1HB GLU 49 1HB GLU 49 13.151 -4.203 0.909 398 2HB GLU 49 2HB GLU 49 11.416 -4.406 0.771 399 1HG GLU 49 1HG GLU 49 11.537 -6.672 1.052 400 2HG GLU 49 2HG GLU 49 12.896 -6.830 -0.042 401 H GLY 50 H GLY 50 13.352 -2.286 -1.836 402 1HA GLY 50 1HA GLY 50 15.720 -1.711 -1.576 403 2HA GLY 50 2HA GLY 50 16.109 -3.295 -2.216 404 H ASP 51 H ASP 51 13.514 -2.835 -4.026 405 HA ASP 51 HA ASP 51 15.044 -1.899 -6.217 406 1HB ASP 51 1HB ASP 51 12.989 -3.631 -6.017 407 2HB ASP 51 2HB ASP 51 12.041 -2.190 -6.330 408 H ILE 52 H ILE 52 14.134 -0.086 -7.690 409 HA ILE 52 HA ILE 52 13.187 2.093 -5.987 410 HB ILE 52 HB ILE 52 14.403 2.256 -8.741 411 1HG1 ILE 52 1HG1 ILE 52 16.249 3.116 -6.767 412 2HG1 ILE 52 2HG1 ILE 52 15.671 1.543 -6.254 413 1HG2 ILE 52 1HG2 ILE 52 14.958 4.593 -7.867 414 2HG2 ILE 52 2HG2 ILE 52 13.264 4.256 -8.295 415 3HG2 ILE 52 3HG2 ILE 52 13.765 4.269 -6.587 416 1HD1 ILE 52 1HD1 ILE 52 17.704 1.727 -7.947 417 2HD1 ILE 52 2HD1 ILE 52 16.477 0.456 -8.168 418 3HD1 ILE 52 3HD1 ILE 52 16.414 1.935 -9.157 419 H LEU 53 H LEU 53 11.285 3.210 -6.414 420 HA LEU 53 HA LEU 53 9.790 2.369 -8.776 421 1HB LEU 53 1HB LEU 53 8.134 2.633 -6.381 422 2HB LEU 53 2HB LEU 53 8.068 1.466 -7.686 423 HG LEU 53 HG LEU 53 8.486 0.397 -5.529 424 1HD1 LEU 53 1HD1 LEU 53 11.098 -0.203 -6.584 425 2HD1 LEU 53 2HD1 LEU 53 9.610 -1.179 -6.610 426 3HD1 LEU 53 3HD1 LEU 53 9.929 -0.009 -7.912 427 1HD2 LEU 53 1HD2 LEU 53 9.933 1.124 -3.999 428 2HD2 LEU 53 2HD2 LEU 53 11.254 1.247 -5.186 429 3HD2 LEU 53 3HD2 LEU 53 10.098 2.588 -4.997 430 H MET 54 H MET 54 7.932 3.890 -9.222 431 HA MET 54 HA MET 54 8.770 6.552 -8.393 432 1HB MET 54 1HB MET 54 7.168 5.548 -10.810 433 2HB MET 54 2HB MET 54 7.464 7.245 -10.490 434 1HG MET 54 1HG MET 54 9.913 5.545 -10.446 435 2HG MET 54 2HG MET 54 9.117 5.624 -12.005 436 1HE MET 54 1HE MET 54 9.961 8.073 -8.954 437 2HE MET 54 2HE MET 54 11.398 7.205 -9.546 438 3HE MET 54 3HE MET 54 11.266 8.966 -9.770 439 H LEU 55 H LEU 55 7.486 7.631 -6.963 440 HA LEU 55 HA LEU 55 4.748 6.648 -6.646 441 1HB LEU 55 1HB LEU 55 6.378 8.387 -4.793 442 2HB LEU 55 2HB LEU 55 4.812 7.672 -4.462 443 HG LEU 55 HG LEU 55 6.031 5.397 -4.863 444 1HD1 LEU 55 1HD1 LEU 55 8.383 7.217 -4.280 445 2HD1 LEU 55 2HD1 LEU 55 8.414 5.438 -4.209 446 3HD1 LEU 55 3HD1 LEU 55 8.105 6.262 -5.757 447 1HD2 LEU 55 1HD2 LEU 55 7.090 6.092 -2.342 448 2HD2 LEU 55 2HD2 LEU 55 5.612 7.060 -2.556 449 3HD2 LEU 55 3HD2 LEU 55 5.544 5.288 -2.703 450 H LEU 56 H LEU 56 3.263 7.724 -7.827 451 HA LEU 56 HA LEU 56 3.786 10.541 -8.395 452 1HB LEU 56 1HB LEU 56 3.367 8.933 -10.247 453 2HB LEU 56 2HB LEU 56 1.757 8.664 -9.611 454 HG LEU 56 HG LEU 56 1.769 11.389 -9.844 455 1HD1 LEU 56 1HD1 LEU 56 2.876 12.138 -11.748 456 2HD1 LEU 56 2HD1 LEU 56 4.077 11.084 -10.964 457 3HD1 LEU 56 3HD1 LEU 56 3.150 10.491 -12.363 458 1HD2 LEU 56 1HD2 LEU 56 0.578 9.125 -11.173 459 2HD2 LEU 56 2HD2 LEU 56 -0.093 10.744 -10.863 460 3HD2 LEU 56 3HD2 LEU 56 0.864 10.444 -12.333 461 H ASP 57 H ASP 57 2.393 12.190 -7.745 462 HA ASP 57 HA ASP 57 1.107 11.859 -5.374 463 1HB ASP 57 1HB ASP 57 0.644 13.885 -7.608 464 2HB ASP 57 2HB ASP 57 -0.098 14.037 -6.028 465 H THR 58 H THR 58 -0.866 10.895 -4.849 466 HA THR 58 HA THR 58 -2.583 10.025 -7.010 467 HB THR 58 HB THR 58 -1.851 8.638 -4.961 468 HG1 THR 58 HG1 THR 58 -3.841 7.636 -5.269 469 1HG2 THR 58 1HG2 THR 58 -4.179 9.855 -3.506 470 2HG2 THR 58 2HG2 THR 58 -2.715 9.083 -2.849 471 3HG2 THR 58 3HG2 THR 58 -2.650 10.763 -3.435 472 H ILE 59 H ILE 59 -4.338 11.034 -7.758 473 HA ILE 59 HA ILE 59 -5.079 13.520 -6.553 474 HB ILE 59 HB ILE 59 -6.230 11.985 -8.886 475 1HG1 ILE 59 1HG1 ILE 59 -3.834 12.662 -9.107 476 2HG1 ILE 59 2HG1 ILE 59 -4.903 13.368 -10.302 477 1HG2 ILE 59 1HG2 ILE 59 -7.952 13.418 -8.252 478 2HG2 ILE 59 2HG2 ILE 59 -6.832 14.708 -7.752 479 3HG2 ILE 59 3HG2 ILE 59 -7.066 14.353 -9.481 480 1HD1 ILE 59 1HD1 ILE 59 -3.484 15.151 -9.531 481 2HD1 ILE 59 2HD1 ILE 59 -5.073 15.428 -8.778 482 3HD1 ILE 59 3HD1 ILE 59 -3.749 14.714 -7.826 483 H ARG 60 H ARG 60 -6.939 14.023 -5.389 484 HA ARG 60 HA ARG 60 -8.147 11.743 -4.162 485 1HB ARG 60 1HB ARG 60 -8.566 14.742 -3.713 486 2HB ARG 60 2HB ARG 60 -9.271 13.486 -2.715 487 1HG ARG 60 1HG ARG 60 -6.440 12.954 -2.945 488 2HG ARG 60 2HG ARG 60 -6.638 14.644 -2.528 489 1HD ARG 60 1HD ARG 60 -8.478 13.505 -0.826 490 2HD ARG 60 2HD ARG 60 -7.306 12.206 -0.931 491 HE ARG 60 HE ARG 60 -5.830 14.592 -0.536 492 1HH1 ARG 60 1HH1 ARG 60 -8.200 12.664 1.210 493 2HH1 ARG 60 2HH1 ARG 60 -7.624 13.138 2.773 494 1HH2 ARG 60 1HH2 ARG 60 -5.069 15.217 1.526 495 2HH2 ARG 60 2HH2 ARG 60 -5.830 14.600 2.954 496 H GLU 61 H GLU 61 -10.112 10.878 -4.781 497 HA GLU 61 HA GLU 61 -11.610 12.395 -6.739 498 1HB GLU 61 1HB GLU 61 -11.002 10.093 -7.347 499 2HB GLU 61 2HB GLU 61 -11.754 9.469 -5.892 500 1HG GLU 61 1HG GLU 61 -13.939 10.621 -6.766 501 2HG GLU 61 2HG GLU 61 -13.108 10.732 -8.304 502 H ALA 62 H ALA 62 -13.738 13.093 -6.408 503 HA ALA 62 HA ALA 62 -14.651 12.891 -3.640 504 1HB ALA 62 1HB ALA 62 -15.682 14.673 -5.877 505 2HB ALA 62 2HB ALA 62 -15.947 14.855 -4.126 506 3HB ALA 62 3HB ALA 62 -14.327 15.121 -4.813 507 H LYS 63 H LYS 63 -16.712 12.079 -3.096 508 HA LYS 63 HA LYS 63 -17.773 10.256 -5.077 509 1HB LYS 63 1HB LYS 63 -17.353 9.427 -2.829 510 2HB LYS 63 2HB LYS 63 -18.381 10.664 -2.135 511 1HG LYS 63 1HG LYS 63 -19.987 9.423 -4.115 512 2HG LYS 63 2HG LYS 63 -19.131 8.102 -3.346 513 1HD LYS 63 1HD LYS 63 -20.296 8.327 -1.393 514 2HD LYS 63 2HD LYS 63 -20.123 10.070 -1.384 515 1HE LYS 63 1HE LYS 63 -22.030 10.385 -2.812 516 2HE LYS 63 2HE LYS 63 -22.046 8.704 -3.306 517 1HZ LYS 63 1HZ LYS 63 -23.302 9.867 -1.110 518 2HZ LYS 63 2HZ LYS 63 -23.405 8.325 -1.637 519 3HZ LYS 63 3HZ LYS 63 -22.254 8.744 -0.558 520 H GLU 64 H GLU 64 -19.501 10.676 -6.347 521 HA GLU 64 HA GLU 64 -20.922 13.130 -5.778 522 1HB GLU 64 1HB GLU 64 -19.878 12.473 -8.083 523 2HB GLU 64 2HB GLU 64 -21.263 11.413 -8.257 524 1HG GLU 64 1HG GLU 64 -22.703 13.150 -8.640 525 2HG GLU 64 2HG GLU 64 -22.018 14.128 -7.358 526 H ILE 65 H ILE 65 -23.335 13.176 -5.991 527 HA ILE 65 HA ILE 65 -24.434 10.799 -4.739 528 HB ILE 65 HB ILE 65 -25.443 13.610 -5.141 529 1HG1 ILE 65 1HG1 ILE 65 -25.491 13.162 -2.482 530 2HG1 ILE 65 2HG1 ILE 65 -24.176 12.090 -2.919 531 1HG2 ILE 65 1HG2 ILE 65 -27.472 12.591 -5.228 532 2HG2 ILE 65 2HG2 ILE 65 -26.909 11.133 -4.377 533 3HG2 ILE 65 3HG2 ILE 65 -27.259 12.619 -3.462 534 1HD1 ILE 65 1HD1 ILE 65 -23.886 14.785 -2.464 535 2HD1 ILE 65 2HD1 ILE 65 -22.769 13.817 -3.456 536 3HD1 ILE 65 3HD1 ILE 65 -24.065 14.757 -4.235 537 H ARG 66 H ARG 66 -26.062 9.509 -5.624 538 HA ARG 66 HA ARG 66 -26.279 9.811 -8.483 539 1HB ARG 66 1HB ARG 66 -25.639 7.593 -7.430 540 2HB ARG 66 2HB ARG 66 -27.222 7.524 -6.681 541 1HG ARG 66 1HG ARG 66 -28.074 7.910 -9.192 542 2HG ARG 66 2HG ARG 66 -26.493 7.273 -9.603 543 1HD ARG 66 1HD ARG 66 -27.035 5.313 -7.980 544 2HD ARG 66 2HD ARG 66 -28.686 5.899 -7.992 545 HE ARG 66 HE ARG 66 -27.694 5.630 -10.696 546 1HH1 ARG 66 1HH1 ARG 66 -28.894 3.750 -7.974 547 2HH1 ARG 66 2HH1 ARG 66 -29.468 2.448 -8.961 548 1HH2 ARG 66 1HH2 ARG 66 -28.451 3.912 -12.000 549 2HH2 ARG 66 2HH2 ARG 66 -29.215 2.541 -11.267 550 H THR 67 H THR 67 -28.264 10.182 -9.557 551 HA THR 67 HA THR 67 -30.423 11.106 -7.849 552 HB THR 67 HB THR 67 -31.287 11.959 -10.059 553 HG1 THR 67 HG1 THR 67 -30.462 10.356 -11.474 554 1HG2 THR 67 1HG2 THR 67 -28.281 12.475 -9.927 555 2HG2 THR 67 2HG2 THR 67 -29.556 13.576 -10.503 556 3HG2 THR 67 3HG2 THR 67 -29.408 13.217 -8.766 557 HA PRO 68 HA PRO 68 -32.834 7.583 -8.293 558 1HB PRO 68 1HB PRO 68 -35.310 8.591 -7.725 559 2HB PRO 68 2HB PRO 68 -34.139 8.173 -6.490 560 1HG PRO 68 1HG PRO 68 -34.933 10.850 -7.459 561 2HG PRO 68 2HG PRO 68 -34.109 10.421 -5.974 562 1HD PRO 68 1HD PRO 68 -32.926 11.558 -8.326 563 2HD PRO 68 2HD PRO 68 -32.085 11.021 -6.885 Start of MODEL 11 1 HA MET 1 HA MET 1 11.161 13.014 -11.118 2 1HB MET 1 1HB MET 1 12.124 14.803 -12.706 3 2HB MET 1 2HB MET 1 11.089 15.976 -11.916 4 1HG MET 1 1HG MET 1 12.236 14.991 -9.692 5 2HG MET 1 2HG MET 1 13.499 14.524 -10.814 6 1HE MET 1 1HE MET 1 15.113 15.553 -11.395 7 2HE MET 1 2HE MET 1 15.212 17.209 -12.039 8 3HE MET 1 3HE MET 1 15.645 16.886 -10.343 9 H ASP 2 H ASP 2 8.621 15.544 -11.554 10 HA ASP 2 HA ASP 2 8.380 15.738 -8.689 11 1HB ASP 2 1HB ASP 2 8.252 17.848 -9.824 12 2HB ASP 2 2HB ASP 2 7.175 17.216 -11.054 13 H ASP 3 H ASP 3 6.797 14.432 -11.606 14 HA ASP 3 HA ASP 3 4.253 14.095 -10.686 15 1HB ASP 3 1HB ASP 3 4.334 11.991 -12.251 16 2HB ASP 3 2HB ASP 3 4.572 13.578 -12.955 17 H ALA 4 H ALA 4 7.071 11.778 -10.613 18 HA ALA 4 HA ALA 4 5.743 10.417 -8.369 19 1HB ALA 4 1HB ALA 4 5.659 8.718 -9.895 20 2HB ALA 4 2HB ALA 4 6.965 9.404 -10.890 21 3HB ALA 4 3HB ALA 4 7.357 8.497 -9.409 22 H THR 5 H THR 5 7.079 9.802 -6.610 23 HA THR 5 HA THR 5 9.636 11.235 -6.570 24 HB THR 5 HB THR 5 7.417 11.016 -4.786 25 HG1 THR 5 HG1 THR 5 8.734 12.622 -3.824 26 1HG2 THR 5 1HG2 THR 5 9.983 9.703 -3.748 27 2HG2 THR 5 2HG2 THR 5 8.698 10.348 -2.698 28 3HG2 THR 5 3HG2 THR 5 8.359 8.974 -3.778 29 HA PRO 6 HA PRO 6 11.831 7.545 -6.649 30 1HB PRO 6 1HB PRO 6 14.247 8.401 -5.700 31 2HB PRO 6 2HB PRO 6 13.736 8.624 -7.362 32 1HG PRO 6 1HG PRO 6 13.877 10.617 -5.183 33 2HG PRO 6 2HG PRO 6 13.786 10.886 -6.912 34 1HD PRO 6 1HD PRO 6 11.651 11.167 -5.018 35 2HD PRO 6 2HD PRO 6 11.534 11.322 -6.759 36 H ALA 7 H ALA 7 11.153 5.901 -5.419 37 HA ALA 7 HA ALA 7 12.032 6.091 -2.624 38 1HB ALA 7 1HB ALA 7 9.933 5.765 -1.841 39 2HB ALA 7 2HB ALA 7 9.402 6.310 -3.450 40 3HB ALA 7 3HB ALA 7 9.550 4.570 -3.103 41 H GLU 8 H GLU 8 12.416 3.972 -1.607 42 HA GLU 8 HA GLU 8 13.018 1.982 -3.654 43 1HB GLU 8 1HB GLU 8 14.465 2.685 -1.072 44 2HB GLU 8 2HB GLU 8 14.766 1.184 -1.925 45 1HG GLU 8 1HG GLU 8 14.856 3.235 -3.909 46 2HG GLU 8 2HG GLU 8 15.742 3.863 -2.534 47 H VAL 9 H VAL 9 12.157 -0.072 -3.419 48 HA VAL 9 HA VAL 9 9.997 -0.492 -1.789 49 HB VAL 9 HB VAL 9 11.908 -2.578 -2.857 50 1HG1 VAL 9 1HG1 VAL 9 9.870 -3.070 -1.209 51 2HG1 VAL 9 2HG1 VAL 9 8.946 -2.965 -2.726 52 3HG1 VAL 9 3HG1 VAL 9 10.266 -4.149 -2.568 53 1HG2 VAL 9 1HG2 VAL 9 11.430 -1.804 -4.898 54 2HG2 VAL 9 2HG2 VAL 9 9.747 -2.314 -4.621 55 3HG2 VAL 9 3HG2 VAL 9 10.243 -0.646 -4.250 56 H ILE 10 H ILE 10 9.654 -1.169 0.300 57 HA ILE 10 HA ILE 10 12.090 -1.732 1.845 58 HB ILE 10 HB ILE 10 10.902 -0.783 3.770 59 1HG1 ILE 10 1HG1 ILE 10 8.802 0.182 1.815 60 2HG1 ILE 10 2HG1 ILE 10 8.592 -1.235 2.824 61 1HG2 ILE 10 1HG2 ILE 10 10.909 1.272 1.566 62 2HG2 ILE 10 2HG2 ILE 10 11.384 1.447 3.272 63 3HG2 ILE 10 3HG2 ILE 10 12.415 0.524 2.152 64 1HD1 ILE 10 1HD1 ILE 10 7.643 0.918 3.795 65 2HD1 ILE 10 2HD1 ILE 10 8.789 0.068 4.859 66 3HD1 ILE 10 3HD1 ILE 10 9.316 1.505 3.950 67 H GLU 11 H GLU 11 8.638 -2.526 1.235 68 HA GLU 11 HA GLU 11 9.209 -5.104 2.463 69 1HB GLU 11 1HB GLU 11 7.835 -4.143 4.114 70 2HB GLU 11 2HB GLU 11 6.874 -3.252 2.951 71 1HG GLU 11 1HG GLU 11 5.523 -5.076 2.443 72 2HG GLU 11 2HG GLU 11 6.803 -6.243 2.713 73 H VAL 12 H VAL 12 8.129 -6.930 1.480 74 HA VAL 12 HA VAL 12 6.928 -6.271 -1.121 75 HB VAL 12 HB VAL 12 8.433 -8.805 -0.529 76 1HG1 VAL 12 1HG1 VAL 12 7.676 -9.253 -2.587 77 2HG1 VAL 12 2HG1 VAL 12 7.135 -7.576 -2.837 78 3HG1 VAL 12 3HG1 VAL 12 8.824 -8.026 -3.174 79 1HG2 VAL 12 1HG2 VAL 12 9.706 -6.326 -1.720 80 2HG2 VAL 12 2HG2 VAL 12 9.869 -6.785 -0.008 81 3HG2 VAL 12 3HG2 VAL 12 10.490 -7.862 -1.281 82 H LEU 13 H LEU 13 4.936 -7.146 -1.557 83 HA LEU 13 HA LEU 13 3.882 -8.939 0.515 84 1HB LEU 13 1HB LEU 13 1.984 -7.545 -1.243 85 2HB LEU 13 2HB LEU 13 1.931 -7.840 0.484 86 HG LEU 13 HG LEU 13 2.017 -5.498 0.209 87 1HD1 LEU 13 1HD1 LEU 13 3.779 -6.757 1.774 88 2HD1 LEU 13 2HD1 LEU 13 4.922 -5.871 0.737 89 3HD1 LEU 13 3HD1 LEU 13 3.685 -4.983 1.660 90 1HD2 LEU 13 1HD2 LEU 13 3.001 -4.389 -1.463 91 2HD2 LEU 13 2HD2 LEU 13 4.552 -5.234 -1.239 92 3HD2 LEU 13 3HD2 LEU 13 3.256 -5.991 -2.195 93 H LYS 14 H LYS 14 4.163 -11.004 -0.197 94 HA LYS 14 HA LYS 14 3.024 -11.597 -2.821 95 1HB LYS 14 1HB LYS 14 4.883 -13.032 -3.409 96 2HB LYS 14 2HB LYS 14 5.454 -11.398 -3.136 97 1HG LYS 14 1HG LYS 14 5.520 -12.807 -0.610 98 2HG LYS 14 2HG LYS 14 6.290 -13.817 -1.817 99 1HD LYS 14 1HD LYS 14 7.204 -11.135 -2.280 100 2HD LYS 14 2HD LYS 14 7.307 -11.411 -0.553 101 1HE LYS 14 1HE LYS 14 8.473 -13.263 -2.688 102 2HE LYS 14 2HE LYS 14 9.397 -12.095 -1.765 103 1HZ LYS 14 1HZ LYS 14 8.553 -14.657 -0.999 104 2HZ LYS 14 2HZ LYS 14 9.599 -13.655 -0.246 105 3HZ LYS 14 3HZ LYS 14 8.001 -13.557 0.074 106 H ARG 15 H ARG 15 1.794 -13.460 -2.866 107 HA ARG 15 HA ARG 15 1.880 -15.020 -0.411 108 1HB ARG 15 1HB ARG 15 -0.237 -13.381 -1.166 109 2HB ARG 15 2HB ARG 15 -0.740 -14.923 -1.829 110 1HG ARG 15 1HG ARG 15 0.061 -15.783 0.617 111 2HG ARG 15 2HG ARG 15 -0.330 -14.129 1.043 112 1HD ARG 15 1HD ARG 15 -2.617 -14.392 0.126 113 2HD ARG 15 2HD ARG 15 -2.238 -16.009 -0.431 114 HE ARG 15 HE ARG 15 -1.811 -15.575 2.453 115 1HH1 ARG 15 1HH1 ARG 15 -4.042 -16.642 -0.050 116 2HH1 ARG 15 2HH1 ARG 15 -5.018 -17.572 1.037 117 1HH2 ARG 15 1HH2 ARG 15 -3.098 -16.801 3.888 118 2HH2 ARG 15 2HH2 ARG 15 -4.478 -17.663 3.292 119 H THR 16 H THR 16 2.736 -16.991 -1.026 120 HA THR 16 HA THR 16 3.093 -18.864 -2.170 121 HB THR 16 HB THR 16 0.218 -18.282 -3.048 122 HG1 THR 16 HG1 THR 16 0.106 -18.827 -0.897 123 1HG2 THR 16 1HG2 THR 16 1.988 -20.308 -4.028 124 2HG2 THR 16 2HG2 THR 16 0.947 -21.094 -2.817 125 3HG2 THR 16 3HG2 THR 16 0.218 -20.251 -4.205 126 H GLY 17 H GLY 17 4.809 -18.383 -3.473 127 1HA GLY 17 1HA GLY 17 4.315 -16.999 -5.992 128 2HA GLY 17 2HA GLY 17 5.862 -17.432 -5.294 129 H MET 18 H MET 18 3.650 -18.174 -7.736 130 HA MET 18 HA MET 18 5.087 -20.607 -8.281 131 1HB MET 18 1HB MET 18 2.239 -20.455 -7.422 132 2HB MET 18 2HB MET 18 2.444 -21.321 -8.932 133 1HG MET 18 1HG MET 18 4.418 -22.552 -7.631 134 2HG MET 18 2HG MET 18 3.577 -21.987 -6.201 135 1HE MET 18 1HE MET 18 3.179 -23.849 -5.241 136 2HE MET 18 2HE MET 18 1.674 -24.773 -5.457 137 3HE MET 18 3HE MET 18 3.193 -25.367 -6.171 138 H THR 19 H THR 19 5.674 -20.595 -10.411 139 HA THR 19 HA THR 19 5.771 -20.015 -12.555 140 HB THR 19 HB THR 19 2.753 -20.076 -12.090 141 HG1 THR 19 HG1 THR 19 3.157 -22.187 -12.789 142 1HG2 THR 19 1HG2 THR 19 4.327 -19.836 -14.707 143 2HG2 THR 19 2HG2 THR 19 2.629 -20.362 -14.611 144 3HG2 THR 19 3HG2 THR 19 3.080 -18.712 -14.117 145 H GLY 20 H GLY 20 5.692 -18.244 -14.109 146 1HA GLY 20 1HA GLY 20 6.214 -15.778 -12.939 147 2HA GLY 20 2HA GLY 20 5.880 -16.069 -14.634 148 H GLU 21 H GLU 21 4.713 -14.692 -11.691 149 HA GLU 21 HA GLU 21 2.209 -14.107 -13.049 150 1HB GLU 21 1HB GLU 21 2.339 -15.819 -10.883 151 2HB GLU 21 2HB GLU 21 2.035 -14.287 -10.088 152 1HG GLU 21 1HG GLU 21 -0.079 -15.490 -10.703 153 2HG GLU 21 2HG GLU 21 0.029 -13.902 -11.436 154 H VAL 22 H VAL 22 1.047 -12.237 -11.544 155 HA VAL 22 HA VAL 22 3.123 -10.190 -11.331 156 HB VAL 22 HB VAL 22 0.295 -9.411 -11.168 157 1HG1 VAL 22 1HG1 VAL 22 1.251 -7.503 -11.808 158 2HG1 VAL 22 2HG1 VAL 22 2.814 -8.332 -12.000 159 3HG1 VAL 22 3HG1 VAL 22 1.679 -8.244 -13.369 160 1HG2 VAL 22 1HG2 VAL 22 -0.200 -11.132 -12.683 161 2HG2 VAL 22 2HG2 VAL 22 0.078 -9.715 -13.724 162 3HG2 VAL 22 3HG2 VAL 22 1.348 -10.949 -13.544 163 H MET 23 H MET 23 3.753 -9.427 -9.374 164 HA MET 23 HA MET 23 1.960 -10.023 -7.148 165 1HB MET 23 1HB MET 23 3.947 -10.451 -5.768 166 2HB MET 23 2HB MET 23 4.097 -11.413 -7.225 167 1HG MET 23 1HG MET 23 5.258 -8.855 -7.814 168 2HG MET 23 2HG MET 23 5.866 -9.330 -6.241 169 1HE MET 23 1HE MET 23 8.759 -11.325 -7.237 170 2HE MET 23 2HE MET 23 8.195 -9.733 -6.674 171 3HE MET 23 3HE MET 23 7.638 -11.215 -5.859 172 H GLN 24 H GLN 24 2.260 -8.520 -5.224 173 HA GLN 24 HA GLN 24 2.792 -5.858 -6.266 174 1HB GLN 24 1HB GLN 24 1.287 -5.022 -4.570 175 2HB GLN 24 2HB GLN 24 0.499 -6.380 -5.348 176 1HG GLN 24 1HG GLN 24 2.002 -7.520 -3.222 177 2HG GLN 24 2HG GLN 24 1.293 -6.065 -2.549 178 1HE2 GLN 24 1HE2 GLN 24 -0.313 -6.804 -1.343 179 2HE2 GLN 24 2HE2 GLN 24 -1.640 -7.778 -1.884 180 H VAL 25 H VAL 25 4.036 -4.325 -4.986 181 HA VAL 25 HA VAL 25 5.618 -5.590 -2.864 182 HB VAL 25 HB VAL 25 6.697 -5.350 -5.217 183 1HG1 VAL 25 1HG1 VAL 25 7.603 -3.263 -5.824 184 2HG1 VAL 25 2HG1 VAL 25 5.926 -2.901 -5.348 185 3HG1 VAL 25 3HG1 VAL 25 7.265 -2.550 -4.228 186 1HG2 VAL 25 1HG2 VAL 25 8.877 -4.505 -3.981 187 2HG2 VAL 25 2HG2 VAL 25 7.854 -4.675 -2.534 188 3HG2 VAL 25 3HG2 VAL 25 8.149 -6.081 -3.585 189 H LYS 26 H LYS 26 6.515 -4.028 -1.295 190 HA LYS 26 HA LYS 26 4.816 -1.635 -1.179 191 1HB LYS 26 1HB LYS 26 4.635 -3.557 0.578 192 2HB LYS 26 2HB LYS 26 6.129 -2.901 1.217 193 1HG LYS 26 1HG LYS 26 4.872 -0.578 1.103 194 2HG LYS 26 2HG LYS 26 3.420 -1.553 1.001 195 1HD LYS 26 1HD LYS 26 5.506 -1.922 3.197 196 2HD LYS 26 2HD LYS 26 4.132 -0.848 3.366 197 1HE LYS 26 1HE LYS 26 2.789 -3.060 2.569 198 2HE LYS 26 2HE LYS 26 4.191 -3.857 3.256 199 1HZ LYS 26 1HZ LYS 26 3.709 -3.072 5.318 200 2HZ LYS 26 2HZ LYS 26 2.903 -1.753 4.791 201 3HZ LYS 26 3HZ LYS 26 2.192 -3.222 4.731 202 H CYS 27 H CYS 27 5.787 0.328 -1.281 203 HA CYS 27 HA CYS 27 8.646 0.405 -0.683 204 1HB CYS 27 1HB CYS 27 9.205 1.577 -2.634 205 2HB CYS 27 2HB CYS 27 8.156 0.292 -3.198 206 HG CYS 27 HG CYS 27 5.924 1.890 -2.833 207 H ARG 28 H ARG 28 9.223 2.231 0.535 208 HA ARG 28 HA ARG 28 6.992 3.980 1.161 209 1HB ARG 28 1HB ARG 28 8.017 2.747 3.077 210 2HB ARG 28 2HB ARG 28 9.583 3.437 2.699 211 1HG ARG 28 1HG ARG 28 7.619 5.575 2.914 212 2HG ARG 28 2HG ARG 28 7.528 4.561 4.341 213 1HD ARG 28 1HD ARG 28 10.319 5.111 3.541 214 2HD ARG 28 2HD ARG 28 9.422 6.580 3.871 215 HE ARG 28 HE ARG 28 8.806 4.783 5.968 216 1HH1 ARG 28 1HH1 ARG 28 11.642 6.440 4.707 217 2HH1 ARG 28 2HH1 ARG 28 12.446 6.502 6.240 218 1HH2 ARG 28 1HH2 ARG 28 9.865 4.865 7.992 219 2HH2 ARG 28 2HH2 ARG 28 11.428 5.600 8.121 220 H ILE 29 H ILE 29 7.215 6.262 0.965 221 HA ILE 29 HA ILE 29 8.891 7.228 -0.985 222 HB ILE 29 HB ILE 29 7.253 8.450 1.192 223 1HG1 ILE 29 1HG1 ILE 29 7.097 8.039 -1.745 224 2HG1 ILE 29 2HG1 ILE 29 5.843 7.956 -0.524 225 1HG2 ILE 29 1HG2 ILE 29 9.319 9.829 1.024 226 2HG2 ILE 29 2HG2 ILE 29 8.961 10.086 -0.701 227 3HG2 ILE 29 3HG2 ILE 29 7.836 10.687 0.542 228 1HD1 ILE 29 1HD1 ILE 29 5.760 10.408 -0.361 229 2HD1 ILE 29 2HD1 ILE 29 7.132 10.552 -1.485 230 3HD1 ILE 29 3HD1 ILE 29 5.572 9.919 -2.062 231 H LEU 30 H LEU 30 10.960 8.025 -1.081 232 HA LEU 30 HA LEU 30 12.473 7.813 1.418 233 1HB LEU 30 1HB LEU 30 13.147 7.431 -1.474 234 2HB LEU 30 2HB LEU 30 14.408 7.891 -0.348 235 HG LEU 30 HG LEU 30 12.681 5.406 -0.195 236 1HD1 LEU 30 1HD1 LEU 30 15.134 4.423 -0.369 237 2HD1 LEU 30 2HD1 LEU 30 14.193 4.859 -1.816 238 3HD1 LEU 30 3HD1 LEU 30 15.438 5.970 -1.196 239 1HD2 LEU 30 1HD2 LEU 30 13.061 5.962 2.047 240 2HD2 LEU 30 2HD2 LEU 30 14.345 4.793 1.655 241 3HD2 LEU 30 3HD2 LEU 30 14.716 6.532 1.724 242 H ASP 31 H ASP 31 11.029 10.035 -0.767 243 HA ASP 31 HA ASP 31 12.163 12.182 0.674 244 1HB ASP 31 1HB ASP 31 12.814 13.257 -1.712 245 2HB ASP 31 2HB ASP 31 13.976 12.376 -0.740 246 H GLY 32 H GLY 32 10.930 14.187 0.214 247 1HA GLY 32 1HA GLY 32 9.381 15.172 -1.508 248 2HA GLY 32 2HA GLY 32 8.483 13.674 -1.363 249 H ARG 33 H ARG 33 7.257 16.152 -0.816 250 HA ARG 33 HA ARG 33 7.418 16.910 1.829 251 1HB ARG 33 1HB ARG 33 5.813 17.534 -0.493 252 2HB ARG 33 2HB ARG 33 4.720 17.300 0.856 253 1HG ARG 33 1HG ARG 33 7.201 19.049 1.100 254 2HG ARG 33 2HG ARG 33 5.685 19.687 0.495 255 1HD ARG 33 1HD ARG 33 4.626 18.667 2.674 256 2HD ARG 33 2HD ARG 33 6.275 18.561 3.258 257 HE ARG 33 HE ARG 33 5.924 21.189 2.239 258 1HH1 ARG 33 1HH1 ARG 33 4.683 19.190 4.855 259 2HH1 ARG 33 2HH1 ARG 33 4.357 20.533 5.898 260 1HH2 ARG 33 1HH2 ARG 33 5.494 22.962 3.615 261 2HH2 ARG 33 2HH2 ARG 33 4.821 22.694 5.188 262 H ASP 34 H ASP 34 6.074 14.080 0.336 263 HA ASP 34 HA ASP 34 4.258 13.643 2.543 264 1HB ASP 34 1HB ASP 34 4.789 12.135 -0.055 265 2HB ASP 34 2HB ASP 34 3.694 11.536 1.175 266 H LYS 35 H LYS 35 7.472 13.431 2.176 267 HA LYS 35 HA LYS 35 8.607 11.122 2.288 268 1HB LYS 35 1HB LYS 35 9.163 13.574 3.424 269 2HB LYS 35 2HB LYS 35 9.172 12.512 4.818 270 1HG LYS 35 1HG LYS 35 10.815 11.031 3.770 271 2HG LYS 35 2HG LYS 35 10.689 11.885 2.244 272 1HD LYS 35 1HD LYS 35 11.547 13.322 4.786 273 2HD LYS 35 2HD LYS 35 12.706 12.450 3.803 274 1HE LYS 35 1HE LYS 35 12.449 13.908 1.957 275 2HE LYS 35 2HE LYS 35 10.858 14.439 2.463 276 1HZ LYS 35 1HZ LYS 35 13.419 15.139 3.711 277 2HZ LYS 35 2HZ LYS 35 12.386 16.142 2.939 278 3HZ LYS 35 3HZ LYS 35 11.973 15.495 4.381 279 H GLY 36 H GLY 36 8.502 9.129 3.233 280 1HA GLY 36 1HA GLY 36 8.062 7.648 4.962 281 2HA GLY 36 2HA GLY 36 7.036 8.834 5.745 282 H ARG 37 H ARG 37 5.970 9.260 2.725 283 HA ARG 37 HA ARG 37 3.640 7.838 3.146 284 1HB ARG 37 1HB ARG 37 4.611 9.780 1.313 285 2HB ARG 37 2HB ARG 37 4.120 8.431 0.309 286 1HG ARG 37 1HG ARG 37 1.999 8.554 2.070 287 2HG ARG 37 2HG ARG 37 2.456 10.244 1.994 288 1HD ARG 37 1HD ARG 37 2.209 10.286 -0.436 289 2HD ARG 37 2HD ARG 37 2.024 8.545 -0.505 290 HE ARG 37 HE ARG 37 -0.230 8.807 0.034 291 1HH1 ARG 37 1HH1 ARG 37 1.516 11.681 1.070 292 2HH1 ARG 37 2HH1 ARG 37 0.086 12.531 1.553 293 1HH2 ARG 37 1HH2 ARG 37 -2.117 9.928 0.672 294 2HH2 ARG 37 2HH2 ARG 37 -1.994 11.527 1.326 295 H ILE 38 H ILE 38 3.057 5.728 2.660 296 HA ILE 38 HA ILE 38 4.904 4.245 0.920 297 HB ILE 38 HB ILE 38 3.335 3.211 3.285 298 1HG1 ILE 38 1HG1 ILE 38 6.133 2.948 3.668 299 2HG1 ILE 38 2HG1 ILE 38 5.854 4.603 3.164 300 1HG2 ILE 38 1HG2 ILE 38 3.710 1.591 1.420 301 2HG2 ILE 38 2HG2 ILE 38 5.462 1.816 1.642 302 3HG2 ILE 38 3HG2 ILE 38 4.478 1.133 2.959 303 1HD1 ILE 38 1HD1 ILE 38 5.682 4.156 5.684 304 2HD1 ILE 38 2HD1 ILE 38 4.296 5.003 4.956 305 3HD1 ILE 38 3HD1 ILE 38 4.181 3.267 5.331 306 H LEU 39 H LEU 39 4.037 3.125 -0.793 307 HA LEU 39 HA LEU 39 1.120 2.932 -0.885 308 1HB LEU 39 1HB LEU 39 2.902 4.134 -3.004 309 2HB LEU 39 2HB LEU 39 1.259 3.602 -3.306 310 HG LEU 39 HG LEU 39 1.190 5.952 -2.998 311 1HD1 LEU 39 1HD1 LEU 39 -0.364 4.264 -1.551 312 2HD1 LEU 39 2HD1 LEU 39 0.286 5.305 -0.261 313 3HD1 LEU 39 3HD1 LEU 39 -0.593 6.027 -1.630 314 1HD2 LEU 39 1HD2 LEU 39 2.061 6.384 -0.322 315 2HD2 LEU 39 2HD2 LEU 39 3.346 5.505 -1.185 316 3HD2 LEU 39 3HD2 LEU 39 2.728 7.043 -1.835 317 H THR 40 H THR 40 0.343 1.227 -2.325 318 HA THR 40 HA THR 40 2.445 -0.768 -2.866 319 HB THR 40 HB THR 40 -0.341 -1.708 -2.391 320 HG1 THR 40 HG1 THR 40 -0.279 -1.036 -0.192 321 1HG2 THR 40 1HG2 THR 40 2.483 -2.438 -1.630 322 2HG2 THR 40 2HG2 THR 40 1.191 -2.913 -0.502 323 3HG2 THR 40 3HG2 THR 40 1.159 -3.489 -2.186 324 H ARG 41 H ARG 41 2.515 -1.737 -4.844 325 HA ARG 41 HA ARG 41 0.290 -1.198 -6.604 326 1HB ARG 41 1HB ARG 41 3.195 -0.430 -7.128 327 2HB ARG 41 2HB ARG 41 2.065 -0.668 -8.446 328 1HG ARG 41 1HG ARG 41 1.239 1.418 -8.140 329 2HG ARG 41 2HG ARG 41 0.755 1.003 -6.508 330 1HD ARG 41 1HD ARG 41 2.363 2.377 -5.688 331 2HD ARG 41 2HD ARG 41 3.594 1.372 -6.426 332 HE ARG 41 HE ARG 41 2.689 3.950 -7.381 333 1HH1 ARG 41 1HH1 ARG 41 3.884 0.832 -8.492 334 2HH1 ARG 41 2HH1 ARG 41 4.534 1.463 -9.968 335 1HH2 ARG 41 1HH2 ARG 41 3.546 4.783 -9.329 336 2HH2 ARG 41 2HH2 ARG 41 4.341 3.726 -10.447 337 H ASN 42 H ASN 42 0.219 -2.706 -8.471 338 HA ASN 42 HA ASN 42 1.429 -5.199 -7.752 339 1HB ASN 42 1HB ASN 42 -0.376 -4.538 -10.137 340 2HB ASN 42 2HB ASN 42 -0.028 -6.141 -9.519 341 1HD2 ASN 42 1HD2 ASN 42 -2.412 -4.121 -9.739 342 2HD2 ASN 42 2HD2 ASN 42 -3.241 -4.298 -8.228 343 H VAL 43 H VAL 43 3.083 -6.236 -8.981 344 HA VAL 43 HA VAL 43 3.798 -5.118 -11.555 345 HB VAL 43 HB VAL 43 5.061 -3.699 -10.117 346 1HG1 VAL 43 1HG1 VAL 43 5.591 -6.226 -8.600 347 2HG1 VAL 43 2HG1 VAL 43 6.838 -4.955 -8.593 348 3HG1 VAL 43 3HG1 VAL 43 5.196 -4.594 -8.007 349 1HG2 VAL 43 1HG2 VAL 43 6.696 -5.918 -11.370 350 2HG2 VAL 43 2HG2 VAL 43 6.314 -4.310 -12.032 351 3HG2 VAL 43 3HG2 VAL 43 7.436 -4.463 -10.658 352 H MET 44 H MET 44 4.872 -6.631 -12.885 353 HA MET 44 HA MET 44 4.797 -9.310 -11.769 354 1HB MET 44 1HB MET 44 3.485 -9.054 -13.803 355 2HB MET 44 2HB MET 44 4.760 -8.153 -14.600 356 1HG MET 44 1HG MET 44 6.206 -10.193 -14.611 357 2HG MET 44 2HG MET 44 4.949 -11.097 -13.791 358 1HE MET 44 1HE MET 44 4.883 -12.472 -17.470 359 2HE MET 44 2HE MET 44 6.261 -12.005 -16.445 360 3HE MET 44 3HE MET 44 4.905 -12.925 -15.749 361 H GLY 45 H GLY 45 6.645 -10.507 -11.450 362 1HA GLY 45 1HA GLY 45 8.821 -11.077 -12.505 363 2HA GLY 45 2HA GLY 45 9.160 -9.358 -12.506 364 HA PRO 46 HA PRO 46 10.342 -11.301 -8.451 365 1HB PRO 46 1HB PRO 46 13.007 -11.790 -8.810 366 2HB PRO 46 2HB PRO 46 11.776 -13.025 -8.977 367 1HG PRO 46 1HG PRO 46 13.292 -11.623 -11.092 368 2HG PRO 46 2HG PRO 46 12.392 -13.123 -11.197 369 1HD PRO 46 1HD PRO 46 11.563 -10.552 -12.161 370 2HD PRO 46 2HD PRO 46 10.616 -12.026 -12.162 371 H ILE 47 H ILE 47 9.799 -9.263 -7.643 372 HA ILE 47 HA ILE 47 12.179 -7.547 -7.521 373 HB ILE 47 HB ILE 47 10.443 -6.697 -9.082 374 1HG1 ILE 47 1HG1 ILE 47 10.357 -4.633 -7.015 375 2HG1 ILE 47 2HG1 ILE 47 11.950 -5.348 -7.167 376 1HG2 ILE 47 1HG2 ILE 47 8.291 -6.288 -8.521 377 2HG2 ILE 47 2HG2 ILE 47 8.598 -7.587 -7.343 378 3HG2 ILE 47 3HG2 ILE 47 8.686 -5.884 -6.833 379 1HD1 ILE 47 1HD1 ILE 47 11.417 -3.344 -8.709 380 2HD1 ILE 47 2HD1 ILE 47 12.115 -4.785 -9.487 381 3HD1 ILE 47 3HD1 ILE 47 10.368 -4.464 -9.612 382 H ARG 48 H ARG 48 12.888 -7.168 -5.488 383 HA ARG 48 HA ARG 48 10.915 -7.525 -3.380 384 1HB ARG 48 1HB ARG 48 12.876 -8.418 -1.968 385 2HB ARG 48 2HB ARG 48 12.305 -9.484 -3.237 386 1HG ARG 48 1HG ARG 48 14.561 -7.534 -3.799 387 2HG ARG 48 2HG ARG 48 14.896 -9.046 -2.979 388 1HD ARG 48 1HD ARG 48 13.245 -9.780 -5.161 389 2HD ARG 48 2HD ARG 48 14.324 -8.567 -5.820 390 HE ARG 48 HE ARG 48 16.063 -10.157 -4.412 391 1HH1 ARG 48 1HH1 ARG 48 13.554 -10.898 -6.765 392 2HH1 ARG 48 2HH1 ARG 48 14.349 -12.319 -7.357 393 1HH2 ARG 48 1HH2 ARG 48 17.113 -12.031 -5.192 394 2HH2 ARG 48 2HH2 ARG 48 16.387 -12.968 -6.456 395 H GLU 49 H GLU 49 11.690 -6.427 -1.244 396 HA GLU 49 HA GLU 49 11.923 -3.822 -1.492 397 1HB GLU 49 1HB GLU 49 13.502 -4.212 0.753 398 2HB GLU 49 2HB GLU 49 11.750 -4.222 0.734 399 1HG GLU 49 1HG GLU 49 11.612 -6.543 0.851 400 2HG GLU 49 2HG GLU 49 13.107 -6.789 -0.030 401 H GLY 50 H GLY 50 13.479 -2.215 -1.857 402 1HA GLY 50 1HA GLY 50 15.830 -1.608 -1.777 403 2HA GLY 50 2HA GLY 50 16.213 -3.184 -2.442 404 H ASP 51 H ASP 51 13.522 -2.778 -4.114 405 HA ASP 51 HA ASP 51 14.929 -1.730 -6.356 406 1HB ASP 51 1HB ASP 51 12.542 -3.330 -5.836 407 2HB ASP 51 2HB ASP 51 12.159 -2.050 -6.970 408 H ILE 52 H ILE 52 14.126 0.144 -7.644 409 HA ILE 52 HA ILE 52 13.012 2.185 -5.929 410 HB ILE 52 HB ILE 52 13.970 2.373 -8.784 411 1HG1 ILE 52 1HG1 ILE 52 15.853 3.480 -6.965 412 2HG1 ILE 52 2HG1 ILE 52 15.472 1.871 -6.384 413 1HG2 ILE 52 1HG2 ILE 52 13.334 4.421 -6.656 414 2HG2 ILE 52 2HG2 ILE 52 14.345 4.784 -8.075 415 3HG2 ILE 52 3HG2 ILE 52 12.656 4.269 -8.295 416 1HD1 ILE 52 1HD1 ILE 52 17.110 1.306 -7.916 417 2HD1 ILE 52 2HD1 ILE 52 15.707 1.280 -9.012 418 3HD1 ILE 52 3HD1 ILE 52 16.767 2.709 -8.957 419 H LEU 53 H LEU 53 10.998 3.145 -6.142 420 HA LEU 53 HA LEU 53 9.327 2.158 -8.331 421 1HB LEU 53 1HB LEU 53 9.081 1.485 -5.538 422 2HB LEU 53 2HB LEU 53 7.673 2.387 -6.065 423 HG LEU 53 HG LEU 53 7.665 0.693 -8.070 424 1HD1 LEU 53 1HD1 LEU 53 8.564 -1.475 -7.621 425 2HD1 LEU 53 2HD1 LEU 53 9.878 -0.288 -7.429 426 3HD1 LEU 53 3HD1 LEU 53 9.090 -0.985 -5.993 427 1HD2 LEU 53 1HD2 LEU 53 6.190 -0.790 -6.808 428 2HD2 LEU 53 2HD2 LEU 53 6.811 -0.125 -5.279 429 3HD2 LEU 53 3HD2 LEU 53 5.894 0.916 -6.395 430 H MET 54 H MET 54 7.540 3.598 -8.868 431 HA MET 54 HA MET 54 8.241 6.317 -8.146 432 1HB MET 54 1HB MET 54 6.553 5.069 -10.380 433 2HB MET 54 2HB MET 54 6.635 6.803 -10.135 434 1HG MET 54 1HG MET 54 9.327 5.636 -10.160 435 2HG MET 54 2HG MET 54 8.453 5.207 -11.617 436 1HE MET 54 1HE MET 54 9.318 9.285 -9.886 437 2HE MET 54 2HE MET 54 9.572 7.661 -9.204 438 3HE MET 54 3HE MET 54 10.739 8.329 -10.371 439 H LEU 55 H LEU 55 7.012 7.460 -6.713 440 HA LEU 55 HA LEU 55 4.391 6.341 -6.050 441 1HB LEU 55 1HB LEU 55 6.162 8.257 -4.527 442 2HB LEU 55 2HB LEU 55 4.602 7.666 -3.990 443 HG LEU 55 HG LEU 55 6.616 6.556 -2.966 444 1HD1 LEU 55 1HD1 LEU 55 4.146 5.485 -3.762 445 2HD1 LEU 55 2HD1 LEU 55 5.355 4.229 -4.121 446 3HD1 LEU 55 3HD1 LEU 55 5.227 4.896 -2.476 447 1HD2 LEU 55 1HD2 LEU 55 7.880 6.497 -5.176 448 2HD2 LEU 55 2HD2 LEU 55 7.953 5.033 -4.165 449 3HD2 LEU 55 3HD2 LEU 55 6.884 5.080 -5.587 450 H LEU 56 H LEU 56 2.734 7.220 -7.167 451 HA LEU 56 HA LEU 56 2.984 10.045 -7.903 452 1HB LEU 56 1HB LEU 56 2.718 8.430 -9.730 453 2HB LEU 56 2HB LEU 56 1.215 7.868 -9.027 454 HG LEU 56 HG LEU 56 0.623 10.490 -9.245 455 1HD1 LEU 56 1HD1 LEU 56 1.596 11.592 -11.021 456 2HD1 LEU 56 2HD1 LEU 56 2.989 10.732 -10.322 457 3HD1 LEU 56 3HD1 LEU 56 2.186 10.091 -11.775 458 1HD2 LEU 56 1HD2 LEU 56 -0.123 8.099 -10.494 459 2HD2 LEU 56 2HD2 LEU 56 -0.983 9.657 -10.533 460 3HD2 LEU 56 3HD2 LEU 56 0.175 9.247 -11.821 461 H ASP 57 H ASP 57 1.452 11.558 -7.251 462 HA ASP 57 HA ASP 57 0.231 11.129 -4.853 463 1HB ASP 57 1HB ASP 57 0.673 13.371 -5.733 464 2HB ASP 57 2HB ASP 57 -0.405 13.105 -7.089 465 H THR 58 H THR 58 -1.654 10.010 -4.311 466 HA THR 58 HA THR 58 -3.223 8.807 -6.360 467 HB THR 58 HB THR 58 -2.679 7.785 -4.118 468 HG1 THR 58 HG1 THR 58 -4.561 6.875 -4.906 469 1HG2 THR 58 1HG2 THR 58 -3.294 8.761 -2.135 470 2HG2 THR 58 2HG2 THR 58 -3.519 10.258 -3.070 471 3HG2 THR 58 3HG2 THR 58 -4.904 9.182 -2.767 472 H ILE 59 H ILE 59 -5.164 9.342 -7.233 473 HA ILE 59 HA ILE 59 -6.209 11.946 -6.380 474 HB ILE 59 HB ILE 59 -6.304 10.488 -9.017 475 1HG1 ILE 59 1HG1 ILE 59 -5.397 13.174 -9.220 476 2HG1 ILE 59 2HG1 ILE 59 -4.544 12.451 -7.871 477 1HG2 ILE 59 1HG2 ILE 59 -8.196 12.384 -7.918 478 2HG2 ILE 59 2HG2 ILE 59 -7.389 13.045 -9.361 479 3HG2 ILE 59 3HG2 ILE 59 -8.240 11.484 -9.453 480 1HD1 ILE 59 1HD1 ILE 59 -4.542 11.639 -10.777 481 2HD1 ILE 59 2HD1 ILE 59 -3.174 11.807 -9.651 482 3HD1 ILE 59 3HD1 ILE 59 -4.250 10.394 -9.539 483 H ARG 60 H ARG 60 -8.307 12.145 -5.662 484 HA ARG 60 HA ARG 60 -9.533 9.771 -4.825 485 1HB ARG 60 1HB ARG 60 -11.217 11.224 -3.841 486 2HB ARG 60 2HB ARG 60 -9.671 12.027 -3.656 487 1HG ARG 60 1HG ARG 60 -10.644 13.832 -4.641 488 2HG ARG 60 2HG ARG 60 -10.512 12.949 -6.149 489 1HD ARG 60 1HD ARG 60 -12.766 12.501 -6.238 490 2HD ARG 60 2HD ARG 60 -12.871 12.163 -4.522 491 HE ARG 60 HE ARG 60 -12.407 14.966 -4.854 492 1HH1 ARG 60 1HH1 ARG 60 -14.922 12.570 -5.415 493 2HH1 ARG 60 2HH1 ARG 60 -16.219 13.708 -5.256 494 1HH2 ARG 60 1HH2 ARG 60 -14.117 16.467 -4.643 495 2HH2 ARG 60 2HH2 ARG 60 -15.758 15.939 -4.814 496 H GLU 61 H GLU 61 -11.581 8.850 -5.521 497 HA GLU 61 HA GLU 61 -12.192 9.571 -8.270 498 1HB GLU 61 1HB GLU 61 -11.516 7.154 -7.459 499 2HB GLU 61 2HB GLU 61 -13.173 7.057 -6.896 500 1HG GLU 61 1HG GLU 61 -13.473 8.099 -9.471 501 2HG GLU 61 2HG GLU 61 -12.120 7.003 -9.664 502 H ALA 62 H ALA 62 -14.380 9.945 -8.943 503 HA ALA 62 HA ALA 62 -16.010 11.063 -6.873 504 1HB ALA 62 1HB ALA 62 -16.880 12.232 -8.597 505 2HB ALA 62 2HB ALA 62 -15.601 11.496 -9.593 506 3HB ALA 62 3HB ALA 62 -17.219 10.755 -9.531 507 H LYS 63 H LYS 63 -17.951 10.274 -6.039 508 HA LYS 63 HA LYS 63 -18.303 7.434 -6.331 509 1HB LYS 63 1HB LYS 63 -19.580 9.548 -4.584 510 2HB LYS 63 2HB LYS 63 -20.132 7.885 -4.603 511 1HG LYS 63 1HG LYS 63 -17.186 8.146 -4.354 512 2HG LYS 63 2HG LYS 63 -18.064 8.875 -3.025 513 1HD LYS 63 1HD LYS 63 -17.675 6.576 -2.408 514 2HD LYS 63 2HD LYS 63 -19.380 6.705 -2.793 515 1HE LYS 63 1HE LYS 63 -19.178 5.479 -4.772 516 2HE LYS 63 2HE LYS 63 -17.525 5.988 -5.053 517 1HZ LYS 63 1HZ LYS 63 -17.371 4.601 -2.754 518 2HZ LYS 63 2HZ LYS 63 -18.484 3.751 -3.594 519 3HZ LYS 63 3HZ LYS 63 -17.005 4.016 -4.234 520 H GLU 64 H GLU 64 -19.836 6.384 -7.524 521 HA GLU 64 HA GLU 64 -21.510 8.117 -9.135 522 1HB GLU 64 1HB GLU 64 -21.567 6.395 -10.746 523 2HB GLU 64 2HB GLU 64 -19.940 6.287 -10.103 524 1HG GLU 64 1HG GLU 64 -21.106 4.593 -8.370 525 2HG GLU 64 2HG GLU 64 -22.285 4.442 -9.658 526 H ILE 65 H ILE 65 -23.814 7.619 -9.440 527 HA ILE 65 HA ILE 65 -25.016 6.819 -6.977 528 HB ILE 65 HB ILE 65 -27.109 7.373 -8.121 529 1HG1 ILE 65 1HG1 ILE 65 -25.742 8.405 -10.541 530 2HG1 ILE 65 2HG1 ILE 65 -25.879 6.661 -10.439 531 1HG2 ILE 65 1HG2 ILE 65 -26.513 9.333 -7.228 532 2HG2 ILE 65 2HG2 ILE 65 -24.827 9.181 -7.778 533 3HG2 ILE 65 3HG2 ILE 65 -26.073 9.800 -8.888 534 1HD1 ILE 65 1HD1 ILE 65 -28.125 6.707 -10.809 535 2HD1 ILE 65 2HD1 ILE 65 -28.370 8.024 -9.637 536 3HD1 ILE 65 3HD1 ILE 65 -27.880 8.399 -11.306 537 H ARG 66 H ARG 66 -26.167 4.945 -6.500 538 HA ARG 66 HA ARG 66 -25.384 2.696 -7.974 539 1HB ARG 66 1HB ARG 66 -25.974 2.915 -5.433 540 2HB ARG 66 2HB ARG 66 -27.647 2.763 -5.932 541 1HG ARG 66 1HG ARG 66 -27.290 0.559 -6.842 542 2HG ARG 66 2HG ARG 66 -25.547 0.736 -6.799 543 1HD ARG 66 1HD ARG 66 -25.432 0.442 -4.456 544 2HD ARG 66 2HD ARG 66 -27.089 0.954 -4.203 545 HE ARG 66 HE ARG 66 -27.831 -1.230 -4.671 546 1HH1 ARG 66 1HH1 ARG 66 -24.452 -0.896 -5.595 547 2HH1 ARG 66 2HH1 ARG 66 -24.227 -2.591 -5.871 548 1HH2 ARG 66 1HH2 ARG 66 -27.535 -3.467 -5.034 549 2HH2 ARG 66 2HH2 ARG 66 -25.992 -4.063 -5.550 550 H THR 67 H THR 67 -26.727 1.221 -9.224 551 HA THR 67 HA THR 67 -29.282 2.405 -10.094 552 HB THR 67 HB THR 67 -28.698 1.523 -12.364 553 HG1 THR 67 HG1 THR 67 -26.121 1.030 -11.063 554 1HG2 THR 67 1HG2 THR 67 -26.460 3.179 -11.082 555 2HG2 THR 67 2HG2 THR 67 -26.663 2.937 -12.834 556 3HG2 THR 67 3HG2 THR 67 -27.897 3.827 -11.910 557 HA PRO 68 HA PRO 68 -31.021 -1.374 -9.031 558 1HB PRO 68 1HB PRO 68 -33.353 -1.272 -10.452 559 2HB PRO 68 2HB PRO 68 -33.125 -0.445 -8.924 560 1HG PRO 68 1HG PRO 68 -33.177 0.686 -11.655 561 2HG PRO 68 2HG PRO 68 -33.377 1.510 -10.121 562 1HD PRO 68 1HD PRO 68 -31.033 1.506 -11.774 563 2HD PRO 68 2HD PRO 68 -31.196 2.232 -10.187 Start of MODEL 12 1 HA MET 1 HA MET 1 11.467 13.915 -13.705 2 1HB MET 1 1HB MET 1 9.600 11.541 -13.601 3 2HB MET 1 2HB MET 1 8.866 13.120 -13.409 4 1HG MET 1 1HG MET 1 9.569 13.854 -15.568 5 2HG MET 1 2HG MET 1 10.811 12.624 -15.689 6 1HE MET 1 1HE MET 1 9.683 11.205 -18.229 7 2HE MET 1 2HE MET 1 10.787 10.964 -16.854 8 3HE MET 1 3HE MET 1 9.510 9.770 -17.189 9 H ASP 2 H ASP 2 9.809 15.311 -12.474 10 HA ASP 2 HA ASP 2 10.452 15.060 -9.699 11 1HB ASP 2 1HB ASP 2 9.559 17.158 -11.551 12 2HB ASP 2 2HB ASP 2 8.634 17.203 -10.063 13 H ASP 3 H ASP 3 7.721 14.661 -11.959 14 HA ASP 3 HA ASP 3 5.566 14.893 -10.402 15 1HB ASP 3 1HB ASP 3 6.188 13.707 -12.874 16 2HB ASP 3 2HB ASP 3 5.494 12.383 -11.959 17 H ALA 4 H ALA 4 7.313 11.740 -11.006 18 HA ALA 4 HA ALA 4 6.136 10.644 -8.595 19 1HB ALA 4 1HB ALA 4 7.767 9.547 -10.904 20 2HB ALA 4 2HB ALA 4 7.419 8.579 -9.452 21 3HB ALA 4 3HB ALA 4 6.082 9.180 -10.462 22 H THR 5 H THR 5 7.343 9.918 -6.781 23 HA THR 5 HA THR 5 9.946 11.249 -6.550 24 HB THR 5 HB THR 5 7.603 10.955 -4.876 25 HG1 THR 5 HG1 THR 5 10.295 11.962 -4.309 26 1HG2 THR 5 1HG2 THR 5 10.189 10.144 -3.480 27 2HG2 THR 5 2HG2 THR 5 8.536 10.147 -2.820 28 3HG2 THR 5 3HG2 THR 5 9.013 8.921 -4.019 29 HA PRO 6 HA PRO 6 11.975 7.462 -6.652 30 1HB PRO 6 1HB PRO 6 14.409 8.219 -5.666 31 2HB PRO 6 2HB PRO 6 13.933 8.464 -7.334 32 1HG PRO 6 1HG PRO 6 14.121 10.448 -5.150 33 2HG PRO 6 2HG PRO 6 14.068 10.722 -6.880 34 1HD PRO 6 1HD PRO 6 11.917 11.086 -5.018 35 2HD PRO 6 2HD PRO 6 11.833 11.248 -6.761 36 H ALA 7 H ALA 7 11.462 5.738 -5.475 37 HA ALA 7 HA ALA 7 12.212 5.936 -2.652 38 1HB ALA 7 1HB ALA 7 9.509 5.164 -3.804 39 2HB ALA 7 2HB ALA 7 10.019 4.726 -2.156 40 3HB ALA 7 3HB ALA 7 9.873 6.439 -2.617 41 H GLU 8 H GLU 8 12.476 3.777 -1.635 42 HA GLU 8 HA GLU 8 13.069 1.789 -3.687 43 1HB GLU 8 1HB GLU 8 14.495 2.221 -1.024 44 2HB GLU 8 2HB GLU 8 14.889 0.979 -2.196 45 1HG GLU 8 1HG GLU 8 15.550 2.634 -3.856 46 2HG GLU 8 2HG GLU 8 14.905 3.948 -2.893 47 H VAL 9 H VAL 9 12.193 -0.262 -3.435 48 HA VAL 9 HA VAL 9 10.005 -0.639 -1.840 49 HB VAL 9 HB VAL 9 11.916 -2.772 -2.807 50 1HG1 VAL 9 1HG1 VAL 9 8.970 -3.160 -2.848 51 2HG1 VAL 9 2HG1 VAL 9 10.277 -4.306 -2.465 52 3HG1 VAL 9 3HG1 VAL 9 9.740 -3.127 -1.244 53 1HG2 VAL 9 1HG2 VAL 9 10.305 -2.762 -4.828 54 2HG2 VAL 9 2HG2 VAL 9 9.857 -1.128 -4.282 55 3HG2 VAL 9 3HG2 VAL 9 11.542 -1.485 -4.731 56 H ILE 10 H ILE 10 9.703 -0.868 0.313 57 HA ILE 10 HA ILE 10 12.070 -1.537 1.902 58 HB ILE 10 HB ILE 10 10.861 -0.514 3.761 59 1HG1 ILE 10 1HG1 ILE 10 8.805 0.950 2.862 60 2HG1 ILE 10 2HG1 ILE 10 8.647 -0.407 1.764 61 1HG2 ILE 10 1HG2 ILE 10 11.261 1.711 3.154 62 2HG2 ILE 10 2HG2 ILE 10 12.340 0.763 2.101 63 3HG2 ILE 10 3HG2 ILE 10 10.820 1.426 1.453 64 1HD1 ILE 10 1HD1 ILE 10 8.531 -0.421 4.798 65 2HD1 ILE 10 2HD1 ILE 10 7.329 -1.034 3.636 66 3HD1 ILE 10 3HD1 ILE 10 8.857 -1.914 3.884 67 H GLU 11 H GLU 11 8.637 -2.385 1.254 68 HA GLU 11 HA GLU 11 9.211 -4.917 2.572 69 1HB GLU 11 1HB GLU 11 7.813 -3.982 4.193 70 2HB GLU 11 2HB GLU 11 6.906 -3.035 3.030 71 1HG GLU 11 1HG GLU 11 5.530 -4.901 3.897 72 2HG GLU 11 2HG GLU 11 5.800 -5.082 2.175 73 H VAL 12 H VAL 12 8.290 -6.776 1.569 74 HA VAL 12 HA VAL 12 6.919 -6.209 -0.968 75 HB VAL 12 HB VAL 12 9.003 -6.865 -1.683 76 1HG1 VAL 12 1HG1 VAL 12 10.471 -8.438 -0.640 77 2HG1 VAL 12 2HG1 VAL 12 9.827 -7.390 0.646 78 3HG1 VAL 12 3HG1 VAL 12 9.179 -9.034 0.429 79 1HG2 VAL 12 1HG2 VAL 12 7.737 -9.597 -1.365 80 2HG2 VAL 12 2HG2 VAL 12 7.107 -8.370 -2.491 81 3HG2 VAL 12 3HG2 VAL 12 8.762 -8.996 -2.691 82 H LEU 13 H LEU 13 5.127 -7.489 -1.451 83 HA LEU 13 HA LEU 13 4.273 -9.204 0.764 84 1HB LEU 13 1HB LEU 13 2.460 -8.245 -1.412 85 2HB LEU 13 2HB LEU 13 2.083 -8.696 0.239 86 HG LEU 13 HG LEU 13 1.819 -6.433 0.367 87 1HD1 LEU 13 1HD1 LEU 13 4.747 -6.141 0.805 88 2HD1 LEU 13 2HD1 LEU 13 3.373 -5.677 1.837 89 3HD1 LEU 13 3HD1 LEU 13 3.895 -7.377 1.761 90 1HD2 LEU 13 1HD2 LEU 13 2.216 -5.354 -1.549 91 2HD2 LEU 13 2HD2 LEU 13 3.825 -5.015 -0.868 92 3HD2 LEU 13 3HD2 LEU 13 3.597 -6.399 -1.964 93 H LYS 14 H LYS 14 4.730 -11.317 0.473 94 HA LYS 14 HA LYS 14 4.217 -12.405 -2.197 95 1HB LYS 14 1HB LYS 14 6.776 -12.056 -1.119 96 2HB LYS 14 2HB LYS 14 6.417 -13.747 -0.838 97 1HG LYS 14 1HG LYS 14 7.174 -13.964 -3.004 98 2HG LYS 14 2HG LYS 14 5.509 -13.574 -3.387 99 1HD LYS 14 1HD LYS 14 6.479 -11.934 -4.676 100 2HD LYS 14 2HD LYS 14 6.484 -11.044 -3.166 101 1HE LYS 14 1HE LYS 14 8.718 -10.869 -4.051 102 2HE LYS 14 2HE LYS 14 8.815 -11.992 -2.709 103 1HZ LYS 14 1HZ LYS 14 9.755 -13.312 -4.202 104 2HZ LYS 14 2HZ LYS 14 8.252 -13.594 -4.775 105 3HZ LYS 14 3HZ LYS 14 9.201 -12.474 -5.489 106 H ARG 15 H ARG 15 2.803 -14.071 -2.140 107 HA ARG 15 HA ARG 15 2.583 -15.444 0.417 108 1HB ARG 15 1HB ARG 15 0.570 -13.927 -1.005 109 2HB ARG 15 2HB ARG 15 0.088 -15.611 -1.034 110 1HG ARG 15 1HG ARG 15 -0.252 -15.702 1.247 111 2HG ARG 15 2HG ARG 15 1.109 -14.656 1.602 112 1HD ARG 15 1HD ARG 15 -0.559 -12.867 0.341 113 2HD ARG 15 2HD ARG 15 -1.744 -13.940 1.059 114 HE ARG 15 HE ARG 15 0.378 -13.154 2.922 115 1HH1 ARG 15 1HH1 ARG 15 -2.751 -12.269 1.576 116 2HH1 ARG 15 2HH1 ARG 15 -3.190 -11.270 2.921 117 1HH2 ARG 15 1HH2 ARG 15 -0.201 -11.835 4.696 118 2HH2 ARG 15 2HH2 ARG 15 -1.730 -11.021 4.708 119 H THR 16 H THR 16 2.977 -17.631 0.230 120 HA THR 16 HA THR 16 3.197 -19.664 -0.646 121 HB THR 16 HB THR 16 1.217 -18.651 -2.755 122 HG1 THR 16 HG1 THR 16 -0.277 -19.171 -1.124 123 1HG2 THR 16 1HG2 THR 16 1.338 -21.460 -1.635 124 2HG2 THR 16 2HG2 THR 16 0.720 -20.906 -3.209 125 3HG2 THR 16 3HG2 THR 16 2.475 -21.019 -2.932 126 H GLY 17 H GLY 17 2.732 -17.954 -3.787 127 1HA GLY 17 1HA GLY 17 4.353 -17.304 -5.283 128 2HA GLY 17 2HA GLY 17 5.598 -18.018 -4.279 129 H MET 18 H MET 18 4.052 -18.317 -7.212 130 HA MET 18 HA MET 18 5.264 -20.652 -7.890 131 1HB MET 18 1HB MET 18 3.106 -21.237 -6.203 132 2HB MET 18 2HB MET 18 2.377 -21.407 -7.788 133 1HG MET 18 1HG MET 18 5.046 -22.669 -7.648 134 2HG MET 18 2HG MET 18 3.933 -23.340 -6.472 135 1HE MET 18 1HE MET 18 5.264 -24.669 -9.347 136 2HE MET 18 2HE MET 18 4.560 -25.494 -7.936 137 3HE MET 18 3HE MET 18 3.915 -25.810 -9.564 138 H THR 19 H THR 19 2.042 -19.012 -8.266 139 HA THR 19 HA THR 19 2.062 -19.423 -11.106 140 HB THR 19 HB THR 19 -0.007 -19.384 -9.657 141 HG1 THR 19 HG1 THR 19 -1.018 -18.375 -11.400 142 1HG2 THR 19 1HG2 THR 19 0.831 -17.375 -8.227 143 2HG2 THR 19 2HG2 THR 19 0.398 -16.358 -9.622 144 3HG2 THR 19 3HG2 THR 19 -0.857 -17.304 -8.786 145 H GLY 20 H GLY 20 2.063 -17.740 -12.732 146 1HA GLY 20 1HA GLY 20 4.221 -15.919 -12.334 147 2HA GLY 20 2HA GLY 20 3.209 -16.085 -13.755 148 H GLU 21 H GLU 21 1.761 -14.469 -14.213 149 HA GLU 21 HA GLU 21 0.657 -12.608 -14.036 150 1HB GLU 21 1HB GLU 21 -0.031 -14.103 -11.601 151 2HB GLU 21 2HB GLU 21 -0.230 -12.377 -11.377 152 1HG GLU 21 1HG GLU 21 -2.254 -13.690 -12.331 153 2HG GLU 21 2HG GLU 21 -1.819 -12.194 -13.134 154 H VAL 22 H VAL 22 0.306 -10.614 -12.076 155 HA VAL 22 HA VAL 22 3.044 -9.644 -11.889 156 HB VAL 22 HB VAL 22 2.178 -7.547 -11.989 157 1HG1 VAL 22 1HG1 VAL 22 -0.214 -8.979 -13.174 158 2HG1 VAL 22 2HG1 VAL 22 0.515 -7.435 -13.678 159 3HG1 VAL 22 3HG1 VAL 22 1.386 -8.963 -13.954 160 1HG2 VAL 22 1HG2 VAL 22 -0.267 -8.630 -10.570 161 2HG2 VAL 22 2HG2 VAL 22 0.930 -7.453 -9.977 162 3HG2 VAL 22 3HG2 VAL 22 -0.206 -6.994 -11.268 163 H MET 23 H MET 23 3.973 -8.901 -9.917 164 HA MET 23 HA MET 23 2.652 -10.073 -7.600 165 1HB MET 23 1HB MET 23 4.841 -11.051 -7.948 166 2HB MET 23 2HB MET 23 5.561 -9.501 -8.333 167 1HG MET 23 1HG MET 23 4.450 -9.227 -5.709 168 2HG MET 23 2HG MET 23 5.268 -10.777 -5.731 169 1HE MET 23 1HE MET 23 7.916 -10.228 -7.795 170 2HE MET 23 2HE MET 23 8.865 -10.130 -6.293 171 3HE MET 23 3HE MET 23 7.476 -11.239 -6.397 172 H GLN 24 H GLN 24 2.497 -8.874 -5.617 173 HA GLN 24 HA GLN 24 2.653 -6.016 -6.090 174 1HB GLN 24 1HB GLN 24 0.989 -5.756 -4.408 175 2HB GLN 24 2HB GLN 24 0.493 -7.172 -5.313 176 1HG GLN 24 1HG GLN 24 2.139 -8.300 -3.384 177 2HG GLN 24 2HG GLN 24 1.435 -6.961 -2.500 178 1HE2 GLN 24 1HE2 GLN 24 -0.466 -7.232 -1.609 179 2HE2 GLN 24 2HE2 GLN 24 -1.633 -8.455 -1.986 180 H VAL 25 H VAL 25 3.916 -4.634 -4.808 181 HA VAL 25 HA VAL 25 5.387 -5.886 -2.613 182 HB VAL 25 HB VAL 25 6.586 -5.746 -4.950 183 1HG1 VAL 25 1HG1 VAL 25 7.199 -2.983 -3.861 184 2HG1 VAL 25 2HG1 VAL 25 7.764 -3.711 -5.384 185 3HG1 VAL 25 3HG1 VAL 25 6.046 -3.290 -5.182 186 1HG2 VAL 25 1HG2 VAL 25 7.770 -5.001 -2.264 187 2HG2 VAL 25 2HG2 VAL 25 7.730 -6.597 -3.051 188 3HG2 VAL 25 3HG2 VAL 25 8.764 -5.306 -3.709 189 H LYS 26 H LYS 26 6.366 -4.220 -1.138 190 HA LYS 26 HA LYS 26 4.670 -1.824 -1.160 191 1HB LYS 26 1HB LYS 26 4.539 -3.650 0.719 192 2HB LYS 26 2HB LYS 26 6.010 -2.901 1.306 193 1HG LYS 26 1HG LYS 26 4.616 -0.639 0.958 194 2HG LYS 26 2HG LYS 26 3.239 -1.717 1.074 195 1HD LYS 26 1HD LYS 26 5.469 -1.787 3.144 196 2HD LYS 26 2HD LYS 26 4.150 -0.641 3.274 197 1HE LYS 26 1HE LYS 26 2.925 -3.158 2.724 198 2HE LYS 26 2HE LYS 26 4.171 -3.489 3.911 199 1HZ LYS 26 1HZ LYS 26 2.968 -2.489 5.443 200 2HZ LYS 26 2HZ LYS 26 2.782 -1.130 4.557 201 3HZ LYS 26 3HZ LYS 26 1.734 -2.369 4.380 202 H CYS 27 H CYS 27 5.615 0.191 -1.112 203 HA CYS 27 HA CYS 27 8.497 0.263 -0.692 204 1HB CYS 27 1HB CYS 27 8.832 1.698 -2.651 205 2HB CYS 27 2HB CYS 27 8.231 0.118 -3.115 206 HG CYS 27 HG CYS 27 6.474 0.973 -4.443 207 H ARG 28 H ARG 28 9.120 2.109 0.476 208 HA ARG 28 HA ARG 28 6.910 3.863 1.162 209 1HB ARG 28 1HB ARG 28 7.932 2.695 3.084 210 2HB ARG 28 2HB ARG 28 9.529 3.250 2.620 211 1HG ARG 28 1HG ARG 28 7.745 5.539 2.838 212 2HG ARG 28 2HG ARG 28 7.635 4.581 4.301 213 1HD ARG 28 1HD ARG 28 10.408 5.024 3.258 214 2HD ARG 28 2HD ARG 28 9.590 6.453 3.856 215 HE ARG 28 HE ARG 28 9.147 4.460 5.797 216 1HH1 ARG 28 1HH1 ARG 28 11.922 6.097 4.381 217 2HH1 ARG 28 2HH1 ARG 28 12.902 5.938 5.801 218 1HH2 ARG 28 1HH2 ARG 28 10.439 4.249 7.670 219 2HH2 ARG 28 2HH2 ARG 28 12.053 4.880 7.684 220 H ILE 29 H ILE 29 7.130 6.142 0.932 221 HA ILE 29 HA ILE 29 8.792 7.067 -1.068 222 HB ILE 29 HB ILE 29 7.120 8.327 1.061 223 1HG1 ILE 29 1HG1 ILE 29 7.008 7.882 -1.886 224 2HG1 ILE 29 2HG1 ILE 29 5.757 7.705 -0.671 225 1HG2 ILE 29 1HG2 ILE 29 7.668 10.554 0.327 226 2HG2 ILE 29 2HG2 ILE 29 9.154 9.739 0.873 227 3HG2 ILE 29 3HG2 ILE 29 8.827 9.923 -0.867 228 1HD1 ILE 29 1HD1 ILE 29 6.875 10.363 -1.676 229 2HD1 ILE 29 2HD1 ILE 29 5.304 9.657 -2.125 230 3HD1 ILE 29 3HD1 ILE 29 5.598 10.179 -0.449 231 H LEU 30 H LEU 30 10.823 7.998 -1.158 232 HA LEU 30 HA LEU 30 12.336 7.823 1.346 233 1HB LEU 30 1HB LEU 30 13.146 7.605 -1.549 234 2HB LEU 30 2HB LEU 30 14.309 7.830 -0.257 235 HG LEU 30 HG LEU 30 12.493 5.465 -0.738 236 1HD1 LEU 30 1HD1 LEU 30 14.695 5.678 -1.951 237 2HD1 LEU 30 2HD1 LEU 30 15.493 5.545 -0.365 238 3HD1 LEU 30 3HD1 LEU 30 14.490 4.205 -0.973 239 1HD2 LEU 30 1HD2 LEU 30 14.002 6.198 1.772 240 2HD2 LEU 30 2HD2 LEU 30 12.290 5.747 1.589 241 3HD2 LEU 30 3HD2 LEU 30 13.561 4.521 1.372 242 H ASP 31 H ASP 31 10.882 9.982 -0.920 243 HA ASP 31 HA ASP 31 11.904 12.177 0.537 244 1HB ASP 31 1HB ASP 31 12.747 13.340 -1.613 245 2HB ASP 31 2HB ASP 31 13.796 12.132 -0.898 246 H GLY 32 H GLY 32 10.710 14.202 -0.113 247 1HA GLY 32 1HA GLY 32 9.161 15.051 -1.900 248 2HA GLY 32 2HA GLY 32 8.267 13.565 -1.651 249 H ARG 33 H ARG 33 6.848 15.856 -1.288 250 HA ARG 33 HA ARG 33 7.047 16.918 1.276 251 1HB ARG 33 1HB ARG 33 5.639 17.537 -1.024 252 2HB ARG 33 2HB ARG 33 4.350 16.914 -0.014 253 1HG ARG 33 1HG ARG 33 6.320 19.028 0.961 254 2HG ARG 33 2HG ARG 33 4.814 19.440 0.165 255 1HD ARG 33 1HD ARG 33 3.853 17.696 2.037 256 2HD ARG 33 2HD ARG 33 5.265 18.279 2.897 257 HE ARG 33 HE ARG 33 4.285 20.420 3.054 258 1HH1 ARG 33 1HH1 ARG 33 2.435 18.403 0.842 259 2HH1 ARG 33 2HH1 ARG 33 1.106 19.509 0.743 260 1HH2 ARG 33 1HH2 ARG 33 2.532 21.880 2.923 261 2HH2 ARG 33 2HH2 ARG 33 1.161 21.500 1.934 262 H ASP 34 H ASP 34 5.820 13.910 0.055 263 HA ASP 34 HA ASP 34 4.094 13.589 2.362 264 1HB ASP 34 1HB ASP 34 4.498 11.914 -0.158 265 2HB ASP 34 2HB ASP 34 3.446 11.428 1.157 266 H LYS 35 H LYS 35 7.275 13.427 1.870 267 HA LYS 35 HA LYS 35 8.482 11.160 2.008 268 1HB LYS 35 1HB LYS 35 9.076 13.629 2.958 269 2HB LYS 35 2HB LYS 35 9.018 12.738 4.466 270 1HG LYS 35 1HG LYS 35 10.654 11.104 3.635 271 2HG LYS 35 2HG LYS 35 10.615 11.814 2.033 272 1HD LYS 35 1HD LYS 35 11.381 13.494 4.447 273 2HD LYS 35 2HD LYS 35 12.569 12.472 3.663 274 1HE LYS 35 1HE LYS 35 12.509 13.702 1.647 275 2HE LYS 35 2HE LYS 35 10.899 14.324 1.950 276 1HZ LYS 35 1HZ LYS 35 11.710 15.979 3.184 277 2HZ LYS 35 2HZ LYS 35 12.880 15.081 3.885 278 3HZ LYS 35 3HZ LYS 35 13.108 15.696 2.389 279 H GLY 36 H GLY 36 8.481 9.193 3.013 280 1HA GLY 36 1HA GLY 36 8.132 7.727 4.763 281 2HA GLY 36 2HA GLY 36 7.149 8.916 5.594 282 H ARG 37 H ARG 37 5.968 9.214 2.557 283 HA ARG 37 HA ARG 37 3.628 7.875 3.152 284 1HB ARG 37 1HB ARG 37 4.488 9.719 1.234 285 2HB ARG 37 2HB ARG 37 4.148 8.304 0.258 286 1HG ARG 37 1HG ARG 37 1.933 8.299 1.878 287 2HG ARG 37 2HG ARG 37 2.271 10.018 1.837 288 1HD ARG 37 1HD ARG 37 2.272 9.973 -0.659 289 2HD ARG 37 2HD ARG 37 1.976 8.246 -0.638 290 HE ARG 37 HE ARG 37 -0.081 9.298 0.920 291 1HH1 ARG 37 1HH1 ARG 37 1.075 9.834 -2.360 292 2HH1 ARG 37 2HH1 ARG 37 -0.484 10.272 -2.974 293 1HH2 ARG 37 1HH2 ARG 37 -2.138 9.876 0.111 294 2HH2 ARG 37 2HH2 ARG 37 -2.324 10.297 -1.559 295 H ILE 38 H ILE 38 3.027 5.736 2.890 296 HA ILE 38 HA ILE 38 4.753 4.103 1.160 297 HB ILE 38 HB ILE 38 3.340 3.288 3.702 298 1HG1 ILE 38 1HG1 ILE 38 6.162 2.992 3.880 299 2HG1 ILE 38 2HG1 ILE 38 5.857 4.614 3.291 300 1HG2 ILE 38 1HG2 ILE 38 4.852 1.239 3.388 301 2HG2 ILE 38 2HG2 ILE 38 3.405 1.373 2.359 302 3HG2 ILE 38 3HG2 ILE 38 5.008 1.775 1.697 303 1HD1 ILE 38 1HD1 ILE 38 5.866 4.597 5.754 304 2HD1 ILE 38 2HD1 ILE 38 4.234 4.986 5.160 305 3HD1 ILE 38 3HD1 ILE 38 4.594 3.353 5.769 306 H LEU 39 H LEU 39 3.774 3.019 -0.487 307 HA LEU 39 HA LEU 39 0.907 2.571 -0.306 308 1HB LEU 39 1HB LEU 39 0.539 3.512 -2.544 309 2HB LEU 39 2HB LEU 39 0.967 4.710 -1.339 310 HG LEU 39 HG LEU 39 2.902 3.555 -3.367 311 1HD1 LEU 39 1HD1 LEU 39 2.447 6.288 -3.880 312 2HD1 LEU 39 2HD1 LEU 39 1.986 4.891 -4.882 313 3HD1 LEU 39 3HD1 LEU 39 0.842 5.542 -3.683 314 1HD2 LEU 39 1HD2 LEU 39 4.405 4.351 -1.906 315 2HD2 LEU 39 2HD2 LEU 39 3.939 5.944 -2.550 316 3HD2 LEU 39 3HD2 LEU 39 3.201 5.342 -1.046 317 H THR 40 H THR 40 0.205 0.764 -1.511 318 HA THR 40 HA THR 40 2.428 -0.884 -2.491 319 HB THR 40 HB THR 40 -0.362 -1.913 -1.935 320 HG1 THR 40 HG1 THR 40 1.743 -1.027 -0.094 321 1HG2 THR 40 1HG2 THR 40 0.731 -3.918 -1.651 322 2HG2 THR 40 2HG2 THR 40 2.094 -3.128 -2.479 323 3HG2 THR 40 3HG2 THR 40 2.031 -3.162 -0.700 324 H ARG 41 H ARG 41 2.474 -1.765 -4.534 325 HA ARG 41 HA ARG 41 0.213 -1.132 -6.218 326 1HB ARG 41 1HB ARG 41 2.956 -0.682 -7.389 327 2HB ARG 41 2HB ARG 41 1.437 0.080 -7.815 328 1HG ARG 41 1HG ARG 41 2.918 0.587 -5.192 329 2HG ARG 41 2HG ARG 41 3.067 1.607 -6.609 330 1HD ARG 41 1HD ARG 41 0.243 1.149 -5.985 331 2HD ARG 41 2HD ARG 41 1.082 1.772 -4.578 332 HE ARG 41 HE ARG 41 1.997 3.398 -6.629 333 1HH1 ARG 41 1HH1 ARG 41 -1.199 2.504 -5.457 334 2HH1 ARG 41 2HH1 ARG 41 -1.933 3.996 -5.941 335 1HH2 ARG 41 1HH2 ARG 41 1.028 5.366 -7.267 336 2HH2 ARG 41 2HH2 ARG 41 -0.658 5.635 -6.977 337 H ASN 42 H ASN 42 0.252 -2.428 -8.295 338 HA ASN 42 HA ASN 42 1.325 -5.013 -7.725 339 1HB ASN 42 1HB ASN 42 0.076 -5.672 -9.810 340 2HB ASN 42 2HB ASN 42 -0.950 -4.828 -8.668 341 1HD2 ASN 42 1HD2 ASN 42 -1.301 -5.118 -11.498 342 2HD2 ASN 42 2HD2 ASN 42 -1.330 -3.538 -12.209 343 H VAL 43 H VAL 43 3.320 -5.696 -8.525 344 HA VAL 43 HA VAL 43 4.322 -4.334 -10.928 345 HB VAL 43 HB VAL 43 6.340 -5.372 -9.081 346 1HG1 VAL 43 1HG1 VAL 43 7.123 -2.904 -9.470 347 2HG1 VAL 43 2HG1 VAL 43 7.189 -4.076 -10.808 348 3HG1 VAL 43 3HG1 VAL 43 5.858 -2.897 -10.722 349 1HG2 VAL 43 1HG2 VAL 43 4.829 -4.661 -7.348 350 2HG2 VAL 43 2HG2 VAL 43 6.125 -3.449 -7.488 351 3HG2 VAL 43 3HG2 VAL 43 4.518 -3.119 -8.180 352 H MET 44 H MET 44 4.961 -5.665 -12.575 353 HA MET 44 HA MET 44 4.632 -8.486 -12.065 354 1HB MET 44 1HB MET 44 3.485 -7.584 -14.030 355 2HB MET 44 2HB MET 44 4.933 -6.763 -14.578 356 1HG MET 44 1HG MET 44 6.037 -8.901 -15.072 357 2HG MET 44 2HG MET 44 4.725 -9.802 -14.340 358 1HE MET 44 1HE MET 44 6.175 -7.859 -16.968 359 2HE MET 44 2HE MET 44 5.845 -9.249 -18.030 360 3HE MET 44 3HE MET 44 5.008 -7.702 -18.303 361 H GLY 45 H GLY 45 6.352 -9.810 -11.679 362 1HA GLY 45 1HA GLY 45 8.466 -10.580 -12.688 363 2HA GLY 45 2HA GLY 45 8.999 -8.911 -12.654 364 HA PRO 46 HA PRO 46 9.979 -11.026 -8.648 365 1HB PRO 46 1HB PRO 46 12.625 -11.621 -8.991 366 2HB PRO 46 2HB PRO 46 11.341 -12.790 -9.228 367 1HG PRO 46 1HG PRO 46 12.953 -11.371 -11.259 368 2HG PRO 46 2HG PRO 46 11.987 -12.821 -11.442 369 1HD PRO 46 1HD PRO 46 11.291 -10.176 -12.304 370 2HD PRO 46 2HD PRO 46 10.279 -11.604 -12.382 371 H ILE 47 H ILE 47 9.523 -9.011 -7.744 372 HA ILE 47 HA ILE 47 11.978 -7.420 -7.503 373 HB ILE 47 HB ILE 47 10.408 -6.378 -9.075 374 1HG1 ILE 47 1HG1 ILE 47 10.411 -4.690 -6.585 375 2HG1 ILE 47 2HG1 ILE 47 11.928 -5.146 -7.336 376 1HG2 ILE 47 1HG2 ILE 47 8.225 -5.891 -8.647 377 2HG2 ILE 47 2HG2 ILE 47 8.389 -7.360 -7.656 378 3HG2 ILE 47 3HG2 ILE 47 8.476 -5.755 -6.890 379 1HD1 ILE 47 1HD1 ILE 47 10.962 -2.932 -8.138 380 2HD1 ILE 47 2HD1 ILE 47 11.311 -4.099 -9.435 381 3HD1 ILE 47 3HD1 ILE 47 9.637 -3.858 -8.882 382 H ARG 48 H ARG 48 12.645 -7.183 -5.436 383 HA ARG 48 HA ARG 48 10.585 -7.468 -3.403 384 1HB ARG 48 1HB ARG 48 12.211 -8.709 -1.985 385 2HB ARG 48 2HB ARG 48 11.933 -9.553 -3.496 386 1HG ARG 48 1HG ARG 48 14.259 -7.618 -3.106 387 2HG ARG 48 2HG ARG 48 14.389 -9.328 -2.747 388 1HD ARG 48 1HD ARG 48 13.219 -9.226 -5.330 389 2HD ARG 48 2HD ARG 48 14.450 -7.978 -5.350 390 HE ARG 48 HE ARG 48 16.128 -9.625 -5.103 391 1HH1 ARG 48 1HH1 ARG 48 12.941 -11.048 -4.655 392 2HH1 ARG 48 2HH1 ARG 48 13.521 -12.679 -4.713 393 1HH2 ARG 48 1HH2 ARG 48 16.893 -11.776 -5.180 394 2HH2 ARG 48 2HH2 ARG 48 15.784 -13.096 -5.014 395 H GLU 49 H GLU 49 11.377 -6.525 -1.203 396 HA GLU 49 HA GLU 49 11.819 -3.954 -1.297 397 1HB GLU 49 1HB GLU 49 13.282 -4.431 0.932 398 2HB GLU 49 2HB GLU 49 11.540 -4.609 0.882 399 1HG GLU 49 1HG GLU 49 11.638 -6.892 1.060 400 2HG GLU 49 2HG GLU 49 12.975 -7.022 -0.065 401 H GLY 50 H GLY 50 13.444 -2.451 -1.694 402 1HA GLY 50 1HA GLY 50 15.825 -1.968 -1.587 403 2HA GLY 50 2HA GLY 50 16.130 -3.554 -2.267 404 H ASP 51 H ASP 51 13.571 -3.153 -4.023 405 HA ASP 51 HA ASP 51 15.004 -2.146 -6.228 406 1HB ASP 51 1HB ASP 51 12.784 -3.781 -5.842 407 2HB ASP 51 2HB ASP 51 12.044 -2.316 -6.456 408 H ILE 52 H ILE 52 13.842 -0.386 -7.704 409 HA ILE 52 HA ILE 52 13.088 1.824 -5.938 410 HB ILE 52 HB ILE 52 13.967 2.019 -8.809 411 1HG1 ILE 52 1HG1 ILE 52 15.731 1.988 -6.342 412 2HG1 ILE 52 2HG1 ILE 52 15.696 0.773 -7.605 413 1HG2 ILE 52 1HG2 ILE 52 13.007 4.041 -8.139 414 2HG2 ILE 52 2HG2 ILE 52 13.701 3.941 -6.502 415 3HG2 ILE 52 3HG2 ILE 52 14.753 4.289 -7.895 416 1HD1 ILE 52 1HD1 ILE 52 16.070 3.051 -9.109 417 2HD1 ILE 52 2HD1 ILE 52 16.935 3.475 -7.612 418 3HD1 ILE 52 3HD1 ILE 52 17.390 2.012 -8.518 419 H LEU 53 H LEU 53 11.195 3.033 -6.299 420 HA LEU 53 HA LEU 53 9.453 2.068 -8.432 421 1HB LEU 53 1HB LEU 53 8.137 2.513 -5.828 422 2HB LEU 53 2HB LEU 53 7.765 1.379 -7.111 423 HG LEU 53 HG LEU 53 8.413 0.218 -5.075 424 1HD1 LEU 53 1HD1 LEU 53 10.813 -0.522 -6.491 425 2HD1 LEU 53 2HD1 LEU 53 9.273 -1.400 -6.325 426 3HD1 LEU 53 3HD1 LEU 53 9.487 -0.219 -7.639 427 1HD2 LEU 53 1HD2 LEU 53 11.258 0.931 -5.133 428 2HD2 LEU 53 2HD2 LEU 53 10.187 2.275 -4.672 429 3HD2 LEU 53 3HD2 LEU 53 10.141 0.748 -3.759 430 H MET 54 H MET 54 7.565 3.600 -8.762 431 HA MET 54 HA MET 54 8.479 6.291 -8.094 432 1HB MET 54 1HB MET 54 7.050 5.123 -10.532 433 2HB MET 54 2HB MET 54 7.047 6.849 -10.231 434 1HG MET 54 1HG MET 54 9.671 5.319 -10.238 435 2HG MET 54 2HG MET 54 8.938 5.804 -11.754 436 1HE MET 54 1HE MET 54 10.663 6.387 -8.769 437 2HE MET 54 2HE MET 54 11.791 7.571 -9.471 438 3HE MET 54 3HE MET 54 10.550 8.103 -8.312 439 H LEU 55 H LEU 55 7.126 7.556 -6.878 440 HA LEU 55 HA LEU 55 4.436 6.499 -6.423 441 1HB LEU 55 1HB LEU 55 6.018 8.507 -4.814 442 2HB LEU 55 2HB LEU 55 4.461 7.824 -4.390 443 HG LEU 55 HG LEU 55 6.008 6.670 -3.068 444 1HD1 LEU 55 1HD1 LEU 55 5.636 4.448 -3.593 445 2HD1 LEU 55 2HD1 LEU 55 4.359 5.277 -4.517 446 3HD1 LEU 55 3HD1 LEU 55 5.832 4.715 -5.342 447 1HD2 LEU 55 1HD2 LEU 55 7.868 5.477 -4.864 448 2HD2 LEU 55 2HD2 LEU 55 7.832 7.227 -5.186 449 3HD2 LEU 55 3HD2 LEU 55 8.171 6.632 -3.544 450 H LEU 56 H LEU 56 2.924 7.343 -7.754 451 HA LEU 56 HA LEU 56 3.266 10.149 -8.531 452 1HB LEU 56 1HB LEU 56 3.246 8.584 -10.374 453 2HB LEU 56 2HB LEU 56 1.737 7.886 -9.820 454 HG LEU 56 HG LEU 56 0.871 10.387 -10.106 455 1HD1 LEU 56 1HD1 LEU 56 2.724 10.408 -12.436 456 2HD1 LEU 56 2HD1 LEU 56 1.986 11.755 -11.535 457 3HD1 LEU 56 3HD1 LEU 56 3.384 10.888 -10.854 458 1HD2 LEU 56 1HD2 LEU 56 0.651 7.995 -11.533 459 2HD2 LEU 56 2HD2 LEU 56 -0.387 9.435 -11.670 460 3HD2 LEU 56 3HD2 LEU 56 1.005 9.233 -12.762 461 H ASP 57 H ASP 57 1.624 11.658 -8.161 462 HA ASP 57 HA ASP 57 0.168 11.364 -5.900 463 1HB ASP 57 1HB ASP 57 0.598 13.533 -6.993 464 2HB ASP 57 2HB ASP 57 -0.403 13.081 -8.359 465 H THR 58 H THR 58 -1.677 10.151 -5.434 466 HA THR 58 HA THR 58 -3.206 9.111 -7.709 467 HB THR 58 HB THR 58 -2.171 7.507 -6.073 468 HG1 THR 58 HG1 THR 58 -4.371 7.287 -7.161 469 1HG2 THR 58 1HG2 THR 58 -3.070 9.360 -4.122 470 2HG2 THR 58 2HG2 THR 58 -4.181 7.977 -3.984 471 3HG2 THR 58 3HG2 THR 58 -2.427 7.730 -3.809 472 H ILE 59 H ILE 59 -4.955 10.210 -8.315 473 HA ILE 59 HA ILE 59 -6.141 12.110 -6.562 474 HB ILE 59 HB ILE 59 -6.910 11.062 -9.285 475 1HG1 ILE 59 1HG1 ILE 59 -5.862 13.814 -8.720 476 2HG1 ILE 59 2HG1 ILE 59 -4.734 12.475 -8.780 477 1HG2 ILE 59 1HG2 ILE 59 -8.896 12.016 -9.027 478 2HG2 ILE 59 2HG2 ILE 59 -8.454 12.615 -7.410 479 3HG2 ILE 59 3HG2 ILE 59 -8.075 13.585 -8.854 480 1HD1 ILE 59 1HD1 ILE 59 -4.753 12.642 -11.037 481 2HD1 ILE 59 2HD1 ILE 59 -6.448 12.100 -11.014 482 3HD1 ILE 59 3HD1 ILE 59 -6.069 13.838 -10.977 483 H ARG 60 H ARG 60 -8.142 12.032 -5.488 484 HA ARG 60 HA ARG 60 -8.933 9.356 -4.863 485 1HB ARG 60 1HB ARG 60 -10.353 10.457 -3.126 486 2HB ARG 60 2HB ARG 60 -8.694 11.015 -3.043 487 1HG ARG 60 1HG ARG 60 -9.509 13.131 -3.178 488 2HG ARG 60 2HG ARG 60 -9.865 12.799 -4.862 489 1HD ARG 60 1HD ARG 60 -12.124 11.885 -4.158 490 2HD ARG 60 2HD ARG 60 -11.763 12.349 -2.507 491 HE ARG 60 HE ARG 60 -12.089 14.616 -3.072 492 1HH1 ARG 60 1HH1 ARG 60 -11.981 12.648 -5.987 493 2HH1 ARG 60 2HH1 ARG 60 -12.531 13.923 -7.022 494 1HH2 ARG 60 1HH2 ARG 60 -12.815 16.299 -4.437 495 2HH2 ARG 60 2HH2 ARG 60 -13.009 16.014 -6.134 496 H GLU 61 H GLU 61 -10.980 8.422 -5.340 497 HA GLU 61 HA GLU 61 -12.309 9.612 -7.550 498 1HB GLU 61 1HB GLU 61 -11.874 7.043 -6.841 499 2HB GLU 61 2HB GLU 61 -13.460 7.232 -6.122 500 1HG GLU 61 1HG GLU 61 -14.511 7.637 -8.196 501 2HG GLU 61 2HG GLU 61 -13.034 8.194 -8.957 502 H ALA 62 H ALA 62 -14.410 10.507 -7.627 503 HA ALA 62 HA ALA 62 -15.392 11.393 -5.041 504 1HB ALA 62 1HB ALA 62 -16.269 13.171 -6.191 505 2HB ALA 62 2HB ALA 62 -15.028 12.703 -7.378 506 3HB ALA 62 3HB ALA 62 -16.714 12.180 -7.600 507 H LYS 63 H LYS 63 -17.111 10.480 -4.021 508 HA LYS 63 HA LYS 63 -18.486 8.348 -5.427 509 1HB LYS 63 1HB LYS 63 -17.572 7.919 -3.193 510 2HB LYS 63 2HB LYS 63 -18.541 9.215 -2.521 511 1HG LYS 63 1HG LYS 63 -20.032 7.518 -2.097 512 2HG LYS 63 2HG LYS 63 -20.520 7.809 -3.755 513 1HD LYS 63 1HD LYS 63 -18.214 5.925 -3.312 514 2HD LYS 63 2HD LYS 63 -19.809 5.354 -2.865 515 1HE LYS 63 1HE LYS 63 -20.512 6.264 -5.260 516 2HE LYS 63 2HE LYS 63 -18.795 6.176 -5.600 517 1HZ LYS 63 1HZ LYS 63 -19.889 4.136 -6.159 518 2HZ LYS 63 2HZ LYS 63 -18.850 3.863 -4.930 519 3HZ LYS 63 3HZ LYS 63 -20.454 3.949 -4.639 520 H GLU 64 H GLU 64 -20.526 8.490 -6.237 521 HA GLU 64 HA GLU 64 -21.855 11.033 -5.769 522 1HB GLU 64 1HB GLU 64 -21.255 10.239 -8.141 523 2HB GLU 64 2HB GLU 64 -22.482 9.003 -7.949 524 1HG GLU 64 1HG GLU 64 -23.763 10.684 -8.928 525 2HG GLU 64 2HG GLU 64 -24.025 11.057 -7.236 526 H ILE 65 H ILE 65 -23.537 11.044 -4.346 527 HA ILE 65 HA ILE 65 -24.673 8.515 -3.546 528 HB ILE 65 HB ILE 65 -25.820 9.854 -1.854 529 1HG1 ILE 65 1HG1 ILE 65 -24.363 12.292 -2.880 530 2HG1 ILE 65 2HG1 ILE 65 -25.987 11.902 -3.411 531 1HG2 ILE 65 1HG2 ILE 65 -23.487 10.955 -1.007 532 2HG2 ILE 65 2HG2 ILE 65 -23.900 9.230 -0.866 533 3HG2 ILE 65 3HG2 ILE 65 -22.891 9.796 -2.218 534 1HD1 ILE 65 1HD1 ILE 65 -26.243 11.595 -0.677 535 2HD1 ILE 65 2HD1 ILE 65 -25.051 12.912 -0.782 536 3HD1 ILE 65 3HD1 ILE 65 -26.639 13.085 -1.567 537 H ARG 66 H ARG 66 -26.667 7.722 -4.099 538 HA ARG 66 HA ARG 66 -27.961 9.124 -6.229 539 1HB ARG 66 1HB ARG 66 -27.523 6.526 -5.981 540 2HB ARG 66 2HB ARG 66 -28.957 6.539 -4.974 541 1HG ARG 66 1HG ARG 66 -29.080 7.895 -7.673 542 2HG ARG 66 2HG ARG 66 -29.129 6.144 -7.615 543 1HD ARG 66 1HD ARG 66 -30.947 6.811 -5.624 544 2HD ARG 66 2HD ARG 66 -31.185 8.119 -6.764 545 HE ARG 66 HE ARG 66 -31.082 5.536 -8.102 546 1HH1 ARG 66 1HH1 ARG 66 -33.183 7.702 -6.292 547 2HH1 ARG 66 2HH1 ARG 66 -34.641 7.065 -6.976 548 1HH2 ARG 66 1HH2 ARG 66 -33.006 4.696 -9.005 549 2HH2 ARG 66 2HH2 ARG 66 -34.540 5.344 -8.529 550 H THR 67 H THR 67 -29.749 10.435 -5.958 551 HA THR 67 HA THR 67 -31.163 10.221 -3.382 552 HB THR 67 HB THR 67 -31.637 12.661 -3.758 553 HG1 THR 67 HG1 THR 67 -31.033 13.479 -5.754 554 1HG2 THR 67 1HG2 THR 67 -29.311 13.535 -3.595 555 2HG2 THR 67 2HG2 THR 67 -29.497 12.091 -2.571 556 3HG2 THR 67 3HG2 THR 67 -28.678 11.965 -4.146 557 HA PRO 68 HA PRO 68 -34.718 9.190 -5.555 558 1HB PRO 68 1HB PRO 68 -36.636 9.822 -3.713 559 2HB PRO 68 2HB PRO 68 -35.706 8.338 -3.658 560 1HG PRO 68 1HG PRO 68 -35.441 10.755 -1.977 561 2HG PRO 68 2HG PRO 68 -34.836 9.138 -1.677 562 1HD PRO 68 1HD PRO 68 -33.315 11.402 -2.563 563 2HD PRO 68 2HD PRO 68 -32.736 9.759 -2.375 Start of MODEL 13 1 HA MET 1 HA MET 1 10.605 14.479 -13.101 2 1HB MET 1 1HB MET 1 9.934 11.575 -13.198 3 2HB MET 1 2HB MET 1 8.558 12.583 -12.793 4 1HG MET 1 1HG MET 1 9.325 14.064 -14.835 5 2HG MET 1 2HG MET 1 10.274 12.667 -15.301 6 1HE MET 1 1HE MET 1 7.815 14.350 -16.491 7 2HE MET 1 2HE MET 1 6.362 13.371 -16.805 8 3HE MET 1 3HE MET 1 6.576 14.165 -15.227 9 H ASP 2 H ASP 2 8.886 15.515 -11.909 10 HA ASP 2 HA ASP 2 9.216 15.171 -9.099 11 1HB ASP 2 1HB ASP 2 7.625 17.064 -10.867 12 2HB ASP 2 2HB ASP 2 7.380 17.053 -9.132 13 H ASP 3 H ASP 3 6.824 14.521 -11.685 14 HA ASP 3 HA ASP 3 4.519 14.236 -10.435 15 1HB ASP 3 1HB ASP 3 5.853 12.933 -12.698 16 2HB ASP 3 2HB ASP 3 4.737 11.826 -11.923 17 H ALA 4 H ALA 4 7.064 11.629 -10.674 18 HA ALA 4 HA ALA 4 5.837 10.361 -8.325 19 1HB ALA 4 1HB ALA 4 7.312 8.386 -9.271 20 2HB ALA 4 2HB ALA 4 5.742 8.766 -10.018 21 3HB ALA 4 3HB ALA 4 7.249 9.330 -10.779 22 H THR 5 H THR 5 7.170 9.763 -6.561 23 HA THR 5 HA THR 5 9.724 11.203 -6.523 24 HB THR 5 HB THR 5 7.492 10.820 -4.691 25 HG1 THR 5 HG1 THR 5 10.109 12.107 -4.398 26 1HG2 THR 5 1HG2 THR 5 9.010 8.983 -3.756 27 2HG2 THR 5 2HG2 THR 5 10.272 10.223 -3.555 28 3HG2 THR 5 3HG2 THR 5 8.748 10.347 -2.643 29 HA PRO 6 HA PRO 6 11.915 7.508 -6.582 30 1HB PRO 6 1HB PRO 6 14.340 8.381 -5.673 31 2HB PRO 6 2HB PRO 6 13.812 8.577 -7.332 32 1HG PRO 6 1HG PRO 6 13.975 10.605 -5.187 33 2HG PRO 6 2HG PRO 6 13.866 10.846 -6.920 34 1HD PRO 6 1HD PRO 6 11.751 11.156 -5.007 35 2HD PRO 6 2HD PRO 6 11.615 11.283 -6.749 36 H ALA 7 H ALA 7 11.301 5.863 -5.329 37 HA ALA 7 HA ALA 7 12.189 6.108 -2.542 38 1HB ALA 7 1HB ALA 7 9.715 4.562 -2.965 39 2HB ALA 7 2HB ALA 7 10.100 5.789 -1.734 40 3HB ALA 7 3HB ALA 7 9.548 6.292 -3.350 41 H GLU 8 H GLU 8 12.560 3.991 -1.491 42 HA GLU 8 HA GLU 8 13.224 2.003 -3.520 43 1HB GLU 8 1HB GLU 8 14.542 2.639 -0.849 44 2HB GLU 8 2HB GLU 8 14.915 1.196 -1.771 45 1HG GLU 8 1HG GLU 8 15.112 3.200 -3.703 46 2HG GLU 8 2HG GLU 8 15.713 4.007 -2.269 47 H VAL 9 H VAL 9 12.374 -0.063 -3.331 48 HA VAL 9 HA VAL 9 10.131 -0.510 -1.841 49 HB VAL 9 HB VAL 9 12.141 -2.588 -2.726 50 1HG1 VAL 9 1HG1 VAL 9 9.937 -3.039 -1.261 51 2HG1 VAL 9 2HG1 VAL 9 9.194 -3.018 -2.878 52 3HG1 VAL 9 3HG1 VAL 9 10.507 -4.165 -2.516 53 1HG2 VAL 9 1HG2 VAL 9 11.795 -1.969 -4.838 54 2HG2 VAL 9 2HG2 VAL 9 10.052 -2.267 -4.634 55 3HG2 VAL 9 3HG2 VAL 9 10.724 -0.654 -4.299 56 H ILE 10 H ILE 10 9.646 -1.245 0.212 57 HA ILE 10 HA ILE 10 11.978 -1.703 1.942 58 HB ILE 10 HB ILE 10 10.566 -0.808 3.770 59 1HG1 ILE 10 1HG1 ILE 10 8.669 0.766 2.745 60 2HG1 ILE 10 2HG1 ILE 10 8.619 -0.490 1.525 61 1HG2 ILE 10 1HG2 ILE 10 12.213 0.502 2.146 62 2HG2 ILE 10 2HG2 ILE 10 10.715 1.377 1.745 63 3HG2 ILE 10 3HG2 ILE 10 11.291 1.324 3.428 64 1HD1 ILE 10 1HD1 ILE 10 8.593 -2.134 3.609 65 2HD1 ILE 10 2HD1 ILE 10 8.026 -0.690 4.480 66 3HD1 ILE 10 3HD1 ILE 10 7.095 -1.318 3.100 67 H GLU 11 H GLU 11 8.595 -2.596 1.108 68 HA GLU 11 HA GLU 11 9.167 -5.164 2.355 69 1HB GLU 11 1HB GLU 11 7.656 -4.494 3.950 70 2HB GLU 11 2HB GLU 11 6.928 -3.284 2.913 71 1HG GLU 11 1HG GLU 11 5.587 -4.932 1.757 72 2HG GLU 11 2HG GLU 11 6.506 -6.263 2.434 73 H VAL 12 H VAL 12 8.053 -7.004 1.358 74 HA VAL 12 HA VAL 12 6.990 -6.353 -1.303 75 HB VAL 12 HB VAL 12 8.608 -8.804 -0.618 76 1HG1 VAL 12 1HG1 VAL 12 7.210 -7.796 -2.982 77 2HG1 VAL 12 2HG1 VAL 12 8.915 -8.190 -3.308 78 3HG1 VAL 12 3HG1 VAL 12 7.831 -9.426 -2.626 79 1HG2 VAL 12 1HG2 VAL 12 9.911 -6.667 -0.248 80 2HG2 VAL 12 2HG2 VAL 12 10.584 -7.771 -1.470 81 3HG2 VAL 12 3HG2 VAL 12 9.688 -6.320 -1.980 82 H LEU 13 H LEU 13 4.916 -6.989 -1.564 83 HA LEU 13 HA LEU 13 3.937 -9.043 0.287 84 1HB LEU 13 1HB LEU 13 2.139 -7.207 -1.236 85 2HB LEU 13 2HB LEU 13 1.876 -8.019 0.295 86 HG LEU 13 HG LEU 13 4.080 -6.113 0.452 87 1HD1 LEU 13 1HD1 LEU 13 2.633 -4.080 0.331 88 2HD1 LEU 13 2HD1 LEU 13 2.937 -4.862 -1.239 89 3HD1 LEU 13 3HD1 LEU 13 1.371 -5.083 -0.422 90 1HD2 LEU 13 1HD2 LEU 13 2.639 -7.282 2.277 91 2HD2 LEU 13 2HD2 LEU 13 3.161 -5.596 2.509 92 3HD2 LEU 13 3HD2 LEU 13 1.499 -5.947 1.978 93 H LYS 14 H LYS 14 4.072 -11.014 -0.670 94 HA LYS 14 HA LYS 14 2.871 -11.224 -3.328 95 1HB LYS 14 1HB LYS 14 4.629 -12.577 -4.172 96 2HB LYS 14 2HB LYS 14 5.373 -11.133 -3.516 97 1HG LYS 14 1HG LYS 14 5.173 -13.080 -1.388 98 2HG LYS 14 2HG LYS 14 5.863 -13.877 -2.787 99 1HD LYS 14 1HD LYS 14 7.081 -11.265 -2.554 100 2HD LYS 14 2HD LYS 14 7.139 -12.033 -0.980 101 1HE LYS 14 1HE LYS 14 7.875 -14.143 -2.598 102 2HE LYS 14 2HE LYS 14 8.522 -12.796 -3.514 103 1HZ LYS 14 1HZ LYS 14 10.142 -13.458 -1.974 104 2HZ LYS 14 2HZ LYS 14 9.548 -12.050 -1.399 105 3HZ LYS 14 3HZ LYS 14 9.099 -13.464 -0.717 106 H ARG 15 H ARG 15 2.169 -13.502 -3.812 107 HA ARG 15 HA ARG 15 1.705 -14.947 -1.334 108 1HB ARG 15 1HB ARG 15 -0.294 -13.543 -2.561 109 2HB ARG 15 2HB ARG 15 -0.430 -15.048 -3.448 110 1HG ARG 15 1HG ARG 15 -0.942 -16.308 -1.503 111 2HG ARG 15 2HG ARG 15 -0.241 -15.119 -0.424 112 1HD ARG 15 1HD ARG 15 -2.518 -14.678 -0.114 113 2HD ARG 15 2HD ARG 15 -2.146 -13.527 -1.383 114 HE ARG 15 HE ARG 15 -2.849 -15.881 -2.734 115 1HH1 ARG 15 1HH1 ARG 15 -4.400 -13.730 -0.420 116 2HH1 ARG 15 2HH1 ARG 15 -6.001 -14.057 -0.997 117 1HH2 ARG 15 1HH2 ARG 15 -4.961 -16.312 -3.494 118 2HH2 ARG 15 2HH2 ARG 15 -6.322 -15.535 -2.757 119 H THR 16 H THR 16 2.644 -16.955 -1.540 120 HA THR 16 HA THR 16 2.734 -18.119 -4.245 121 HB THR 16 HB THR 16 4.940 -17.489 -3.168 122 HG1 THR 16 HG1 THR 16 5.528 -19.326 -4.251 123 1HG2 THR 16 1HG2 THR 16 5.602 -18.314 -1.115 124 2HG2 THR 16 2HG2 THR 16 3.854 -18.464 -0.811 125 3HG2 THR 16 3HG2 THR 16 4.782 -19.872 -1.381 126 H GLY 17 H GLY 17 2.394 -20.405 -4.479 127 1HA GLY 17 1HA GLY 17 1.735 -22.210 -2.544 128 2HA GLY 17 2HA GLY 17 0.247 -21.323 -2.808 129 H MET 18 H MET 18 -0.564 -21.131 -5.115 130 HA MET 18 HA MET 18 0.426 -23.319 -6.756 131 1HB MET 18 1HB MET 18 -2.065 -23.251 -5.325 132 2HB MET 18 2HB MET 18 -2.475 -22.982 -7.008 133 1HG MET 18 1HG MET 18 -1.023 -25.025 -7.582 134 2HG MET 18 2HG MET 18 -0.905 -25.336 -5.861 135 1HE MET 18 1HE MET 18 -3.680 -26.425 -4.468 136 2HE MET 18 2HE MET 18 -3.181 -27.777 -5.513 137 3HE MET 18 3HE MET 18 -1.957 -26.676 -4.837 138 H THR 19 H THR 19 -1.788 -20.449 -6.560 139 HA THR 19 HA THR 19 -1.173 -19.923 -9.389 140 HB THR 19 HB THR 19 -3.304 -18.575 -9.270 141 HG1 THR 19 HG1 THR 19 -4.107 -18.274 -7.219 142 1HG2 THR 19 1HG2 THR 19 -4.725 -20.409 -9.444 143 2HG2 THR 19 2HG2 THR 19 -3.182 -21.297 -9.477 144 3HG2 THR 19 3HG2 THR 19 -4.096 -21.158 -7.956 145 H GLY 20 H GLY 20 -0.323 -17.976 -10.059 146 1HA GLY 20 1HA GLY 20 -0.139 -15.665 -8.510 147 2HA GLY 20 2HA GLY 20 1.306 -16.608 -8.201 148 H GLU 21 H GLU 21 -0.333 -14.494 -10.417 149 HA GLU 21 HA GLU 21 1.671 -15.077 -12.448 150 1HB GLU 21 1HB GLU 21 -0.966 -15.028 -12.855 151 2HB GLU 21 2HB GLU 21 -0.712 -13.297 -12.959 152 1HG GLU 21 1HG GLU 21 1.031 -13.658 -14.719 153 2HG GLU 21 2HG GLU 21 0.780 -15.389 -14.614 154 H VAL 22 H VAL 22 -0.041 -12.364 -10.750 155 HA VAL 22 HA VAL 22 2.351 -10.734 -11.267 156 HB VAL 22 HB VAL 22 -0.579 -10.037 -11.231 157 1HG1 VAL 22 1HG1 VAL 22 0.226 -8.299 -9.902 158 2HG1 VAL 22 2HG1 VAL 22 1.797 -8.248 -10.739 159 3HG1 VAL 22 3HG1 VAL 22 0.338 -7.622 -11.545 160 1HG2 VAL 22 1HG2 VAL 22 0.283 -10.717 -13.386 161 2HG2 VAL 22 2HG2 VAL 22 0.008 -8.959 -13.403 162 3HG2 VAL 22 3HG2 VAL 22 1.660 -9.600 -13.235 163 H MET 23 H MET 23 3.259 -9.632 -9.519 164 HA MET 23 HA MET 23 1.955 -10.188 -6.966 165 1HB MET 23 1HB MET 23 4.092 -10.691 -6.006 166 2HB MET 23 2HB MET 23 4.174 -11.452 -7.583 167 1HG MET 23 1HG MET 23 5.058 -8.849 -8.116 168 2HG MET 23 2HG MET 23 5.719 -9.158 -6.523 169 1HE MET 23 1HE MET 23 7.682 -10.737 -6.024 170 2HE MET 23 2HE MET 23 8.846 -10.854 -7.366 171 3HE MET 23 3HE MET 23 8.123 -9.282 -6.948 172 H GLN 24 H GLN 24 2.511 -8.598 -5.200 173 HA GLN 24 HA GLN 24 2.988 -5.983 -6.405 174 1HB GLN 24 1HB GLN 24 1.409 -5.022 -4.946 175 2HB GLN 24 2HB GLN 24 0.666 -6.550 -5.374 176 1HG GLN 24 1HG GLN 24 1.392 -7.578 -3.280 177 2HG GLN 24 2HG GLN 24 2.387 -6.192 -2.880 178 1HE2 GLN 24 1HE2 GLN 24 0.073 -7.514 -1.546 179 2HE2 GLN 24 2HE2 GLN 24 -1.078 -6.263 -1.218 180 H VAL 25 H VAL 25 4.076 -4.357 -4.954 181 HA VAL 25 HA VAL 25 5.691 -5.632 -2.873 182 HB VAL 25 HB VAL 25 6.801 -5.405 -5.211 183 1HG1 VAL 25 1HG1 VAL 25 7.956 -3.204 -5.504 184 2HG1 VAL 25 2HG1 VAL 25 6.191 -3.128 -5.722 185 3HG1 VAL 25 3HG1 VAL 25 6.927 -2.541 -4.211 186 1HG2 VAL 25 1HG2 VAL 25 7.978 -4.588 -2.556 187 2HG2 VAL 25 2HG2 VAL 25 8.158 -6.119 -3.445 188 3HG2 VAL 25 3HG2 VAL 25 8.979 -4.651 -4.026 189 H LYS 26 H LYS 26 6.439 -4.141 -1.224 190 HA LYS 26 HA LYS 26 4.777 -1.727 -1.164 191 1HB LYS 26 1HB LYS 26 4.540 -3.617 0.586 192 2HB LYS 26 2HB LYS 26 6.064 -3.039 1.229 193 1HG LYS 26 1HG LYS 26 4.977 -0.676 1.248 194 2HG LYS 26 2HG LYS 26 3.452 -1.493 0.969 195 1HD LYS 26 1HD LYS 26 5.213 -2.487 3.214 196 2HD LYS 26 2HD LYS 26 4.333 -0.991 3.454 197 1HE LYS 26 1HE LYS 26 2.370 -2.635 2.361 198 2HE LYS 26 2HE LYS 26 3.311 -3.776 3.301 199 1HZ LYS 26 1HZ LYS 26 1.579 -1.751 4.206 200 2HZ LYS 26 2HZ LYS 26 2.234 -2.994 5.039 201 3HZ LYS 26 3HZ LYS 26 3.050 -1.587 4.896 202 H CYS 27 H CYS 27 5.751 0.216 -1.374 203 HA CYS 27 HA CYS 27 8.603 0.318 -0.721 204 1HB CYS 27 1HB CYS 27 7.369 1.798 -3.060 205 2HB CYS 27 2HB CYS 27 9.067 1.681 -2.640 206 HG CYS 27 HG CYS 27 8.401 -1.214 -2.571 207 H ARG 28 H ARG 28 9.193 2.154 0.488 208 HA ARG 28 HA ARG 28 6.953 3.878 1.158 209 1HB ARG 28 1HB ARG 28 7.911 2.670 3.084 210 2HB ARG 28 2HB ARG 28 9.523 3.227 2.683 211 1HG ARG 28 1HG ARG 28 7.725 5.512 2.903 212 2HG ARG 28 2HG ARG 28 7.601 4.525 4.346 213 1HD ARG 28 1HD ARG 28 10.382 5.026 3.335 214 2HD ARG 28 2HD ARG 28 9.540 6.418 3.985 215 HE ARG 28 HE ARG 28 9.172 4.239 5.796 216 1HH1 ARG 28 1HH1 ARG 28 11.728 6.361 4.637 217 2HH1 ARG 28 2HH1 ARG 28 12.657 6.250 6.095 218 1HH2 ARG 28 1HH2 ARG 28 10.397 4.092 7.720 219 2HH2 ARG 28 2HH2 ARG 28 11.894 4.951 7.860 220 H ILE 29 H ILE 29 7.167 6.157 0.968 221 HA ILE 29 HA ILE 29 8.902 7.129 -0.945 222 HB ILE 29 HB ILE 29 7.129 8.332 1.132 223 1HG1 ILE 29 1HG1 ILE 29 7.151 7.923 -1.812 224 2HG1 ILE 29 2HG1 ILE 29 5.834 7.795 -0.664 225 1HG2 ILE 29 1HG2 ILE 29 9.201 9.738 1.048 226 2HG2 ILE 29 2HG2 ILE 29 8.875 10.015 -0.680 227 3HG2 ILE 29 3HG2 ILE 29 7.711 10.573 0.546 228 1HD1 ILE 29 1HD1 ILE 29 7.094 10.425 -1.570 229 2HD1 ILE 29 2HD1 ILE 29 5.563 9.756 -2.183 230 3HD1 ILE 29 3HD1 ILE 29 5.698 10.254 -0.480 231 H LEU 30 H LEU 30 10.919 8.106 -0.932 232 HA LEU 30 HA LEU 30 12.330 7.898 1.632 233 1HB LEU 30 1HB LEU 30 13.195 7.585 -1.227 234 2HB LEU 30 2HB LEU 30 14.358 7.983 0.022 235 HG LEU 30 HG LEU 30 12.591 5.520 -0.033 236 1HD1 LEU 30 1HD1 LEU 30 14.161 5.060 -1.648 237 2HD1 LEU 30 2HD1 LEU 30 15.422 6.043 -0.866 238 3HD1 LEU 30 3HD1 LEU 30 14.984 4.456 -0.190 239 1HD2 LEU 30 1HD2 LEU 30 14.568 6.542 2.000 240 2HD2 LEU 30 2HD2 LEU 30 12.902 5.962 2.239 241 3HD2 LEU 30 3HD2 LEU 30 14.198 4.808 1.844 242 H ASP 31 H ASP 31 11.049 10.050 -0.777 243 HA ASP 31 HA ASP 31 11.917 12.255 0.759 244 1HB ASP 31 1HB ASP 31 13.228 13.403 -0.928 245 2HB ASP 31 2HB ASP 31 13.935 11.817 -0.695 246 H GLY 32 H GLY 32 10.455 14.007 0.375 247 1HA GLY 32 1HA GLY 32 9.185 14.877 -1.780 248 2HA GLY 32 2HA GLY 32 8.259 13.425 -1.454 249 H ARG 33 H ARG 33 6.834 15.719 -1.326 250 HA ARG 33 HA ARG 33 6.940 17.077 1.070 251 1HB ARG 33 1HB ARG 33 4.559 17.746 0.495 252 2HB ARG 33 2HB ARG 33 5.693 17.978 -0.821 253 1HG ARG 33 1HG ARG 33 4.482 16.599 -2.148 254 2HG ARG 33 2HG ARG 33 4.690 15.282 -1.010 255 1HD ARG 33 1HD ARG 33 2.662 15.756 0.122 256 2HD ARG 33 2HD ARG 33 2.628 17.423 -0.418 257 HE ARG 33 HE ARG 33 2.485 15.632 -2.684 258 1HH1 ARG 33 1HH1 ARG 33 0.553 16.937 -0.049 259 2HH1 ARG 33 2HH1 ARG 33 -0.951 16.749 -0.888 260 1HH2 ARG 33 1HH2 ARG 33 0.501 15.383 -3.792 261 2HH2 ARG 33 2HH2 ARG 33 -0.980 15.859 -3.031 262 H ASP 34 H ASP 34 5.892 13.855 0.305 263 HA ASP 34 HA ASP 34 4.328 13.759 2.758 264 1HB ASP 34 1HB ASP 34 4.446 11.895 0.344 265 2HB ASP 34 2HB ASP 34 3.556 11.510 1.804 266 H LYS 35 H LYS 35 7.437 13.496 1.881 267 HA LYS 35 HA LYS 35 8.721 11.335 2.050 268 1HB LYS 35 1HB LYS 35 9.641 13.569 2.656 269 2HB LYS 35 2HB LYS 35 9.050 13.352 4.291 270 1HG LYS 35 1HG LYS 35 10.598 11.662 4.786 271 2HG LYS 35 2HG LYS 35 10.741 11.150 3.116 272 1HD LYS 35 1HD LYS 35 12.657 12.607 4.352 273 2HD LYS 35 2HD LYS 35 12.369 12.710 2.627 274 1HE LYS 35 1HE LYS 35 11.233 14.770 2.792 275 2HE LYS 35 2HE LYS 35 10.766 14.502 4.460 276 1HZ LYS 35 1HZ LYS 35 12.502 16.078 4.403 277 2HZ LYS 35 2HZ LYS 35 13.141 14.710 5.025 278 3HZ LYS 35 3HZ LYS 35 13.461 15.132 3.480 279 H GLY 36 H GLY 36 8.269 9.308 2.705 280 1HA GLY 36 1HA GLY 36 8.246 7.825 4.589 281 2HA GLY 36 2HA GLY 36 7.248 8.974 5.458 282 H ARG 37 H ARG 37 5.986 9.319 2.471 283 HA ARG 37 HA ARG 37 3.704 7.890 3.079 284 1HB ARG 37 1HB ARG 37 4.476 9.808 1.185 285 2HB ARG 37 2HB ARG 37 4.116 8.412 0.189 286 1HG ARG 37 1HG ARG 37 1.945 8.284 1.782 287 2HG ARG 37 2HG ARG 37 2.279 9.992 1.983 288 1HD ARG 37 1HD ARG 37 2.243 10.303 -0.495 289 2HD ARG 37 2HD ARG 37 1.945 8.590 -0.714 290 HE ARG 37 HE ARG 37 -0.103 9.324 0.973 291 1HH1 ARG 37 1HH1 ARG 37 1.066 10.634 -2.077 292 2HH1 ARG 37 2HH1 ARG 37 -0.486 11.227 -2.565 293 1HH2 ARG 37 1HH2 ARG 37 -2.152 10.106 0.329 294 2HH2 ARG 37 2HH2 ARG 37 -2.329 10.924 -1.187 295 H ILE 38 H ILE 38 3.040 5.785 2.604 296 HA ILE 38 HA ILE 38 4.858 4.228 0.899 297 HB ILE 38 HB ILE 38 3.319 3.285 3.320 298 1HG1 ILE 38 1HG1 ILE 38 6.063 2.967 3.759 299 2HG1 ILE 38 2HG1 ILE 38 5.921 4.568 3.060 300 1HG2 ILE 38 1HG2 ILE 38 5.087 1.895 1.319 301 2HG2 ILE 38 2HG2 ILE 38 4.911 1.282 2.980 302 3HG2 ILE 38 3HG2 ILE 38 3.482 1.427 1.929 303 1HD1 ILE 38 1HD1 ILE 38 4.252 5.219 4.740 304 2HD1 ILE 38 2HD1 ILE 38 4.231 3.565 5.396 305 3HD1 ILE 38 3HD1 ILE 38 5.691 4.569 5.560 306 H LEU 39 H LEU 39 3.946 2.967 -0.712 307 HA LEU 39 HA LEU 39 1.031 2.834 -0.771 308 1HB LEU 39 1HB LEU 39 2.778 3.920 -2.980 309 2HB LEU 39 2HB LEU 39 1.113 3.422 -3.203 310 HG LEU 39 HG LEU 39 1.220 5.818 -2.987 311 1HD1 LEU 39 1HD1 LEU 39 -0.573 6.087 -1.600 312 2HD1 LEU 39 2HD1 LEU 39 -0.580 4.314 -1.760 313 3HD1 LEU 39 3HD1 LEU 39 0.122 5.074 -0.312 314 1HD2 LEU 39 1HD2 LEU 39 3.319 5.362 -1.228 315 2HD2 LEU 39 2HD2 LEU 39 2.580 6.933 -1.623 316 3HD2 LEU 39 3HD2 LEU 39 2.027 6.023 -0.197 317 H THR 40 H THR 40 0.225 1.104 -2.198 318 HA THR 40 HA THR 40 2.304 -0.916 -2.726 319 HB THR 40 HB THR 40 -0.382 -1.951 -2.079 320 HG1 THR 40 HG1 THR 40 1.214 -0.288 -0.261 321 1HG2 THR 40 1HG2 THR 40 1.450 -3.492 -1.867 322 2HG2 THR 40 2HG2 THR 40 2.457 -2.294 -1.019 323 3HG2 THR 40 3HG2 THR 40 1.065 -3.033 -0.191 324 H ARG 41 H ARG 41 2.297 -1.895 -4.688 325 HA ARG 41 HA ARG 41 -0.066 -1.536 -6.300 326 1HB ARG 41 1HB ARG 41 2.508 -0.155 -6.729 327 2HB ARG 41 2HB ARG 41 2.037 -1.096 -8.130 328 1HG ARG 41 1HG ARG 41 0.911 0.892 -8.587 329 2HG ARG 41 2HG ARG 41 -0.345 0.025 -7.725 330 1HD ARG 41 1HD ARG 41 -0.432 1.777 -6.276 331 2HD ARG 41 2HD ARG 41 1.128 1.262 -5.667 332 HE ARG 41 HE ARG 41 1.863 2.720 -7.864 333 1HH1 ARG 41 1HH1 ARG 41 -0.342 3.423 -5.213 334 2HH1 ARG 41 2HH1 ARG 41 -0.077 5.133 -5.277 335 1HH2 ARG 41 1HH2 ARG 41 2.213 4.977 -7.948 336 2HH2 ARG 41 2HH2 ARG 41 1.387 6.023 -6.843 337 H ASN 42 H ASN 42 -0.175 -3.098 -8.108 338 HA ASN 42 HA ASN 42 1.349 -5.449 -7.472 339 1HB ASN 42 1HB ASN 42 -1.011 -4.876 -9.325 340 2HB ASN 42 2HB ASN 42 -0.203 -6.430 -9.334 341 1HD2 ASN 42 1HD2 ASN 42 -2.437 -4.383 -7.783 342 2HD2 ASN 42 2HD2 ASN 42 -2.867 -5.392 -6.442 343 H VAL 43 H VAL 43 3.195 -5.981 -8.654 344 HA VAL 43 HA VAL 43 3.332 -5.080 -11.430 345 HB VAL 43 HB VAL 43 4.516 -3.374 -10.325 346 1HG1 VAL 43 1HG1 VAL 43 5.136 -5.455 -8.401 347 2HG1 VAL 43 2HG1 VAL 43 6.603 -4.562 -8.869 348 3HG1 VAL 43 3HG1 VAL 43 5.196 -3.685 -8.221 349 1HG2 VAL 43 1HG2 VAL 43 5.700 -4.154 -12.265 350 2HG2 VAL 43 2HG2 VAL 43 6.899 -3.789 -11.001 351 3HG2 VAL 43 3HG2 VAL 43 6.451 -5.478 -11.341 352 H MET 44 H MET 44 4.096 -6.651 -12.793 353 HA MET 44 HA MET 44 4.676 -9.171 -11.555 354 1HB MET 44 1HB MET 44 3.250 -8.521 -13.760 355 2HB MET 44 2HB MET 44 4.810 -8.666 -14.545 356 1HG MET 44 1HG MET 44 5.055 -10.980 -13.834 357 2HG MET 44 2HG MET 44 3.691 -10.858 -12.741 358 1HE MET 44 1HE MET 44 3.524 -10.805 -17.327 359 2HE MET 44 2HE MET 44 4.744 -10.028 -16.290 360 3HE MET 44 3HE MET 44 4.707 -11.801 -16.447 361 H GLY 45 H GLY 45 6.697 -10.033 -11.265 362 1HA GLY 45 1HA GLY 45 8.834 -10.298 -12.661 363 2HA GLY 45 2HA GLY 45 8.956 -8.562 -12.454 364 HA PRO 46 HA PRO 46 10.557 -10.864 -8.723 365 1HB PRO 46 1HB PRO 46 13.207 -11.202 -9.298 366 2HB PRO 46 2HB PRO 46 12.014 -12.470 -9.497 367 1HG PRO 46 1HG PRO 46 13.328 -10.820 -11.568 368 2HG PRO 46 2HG PRO 46 12.478 -12.341 -11.753 369 1HD PRO 46 1HD PRO 46 11.490 -9.733 -12.419 370 2HD PRO 46 2HD PRO 46 10.601 -11.241 -12.494 371 H ILE 47 H ILE 47 9.953 -8.877 -7.778 372 HA ILE 47 HA ILE 47 12.306 -7.136 -7.559 373 HB ILE 47 HB ILE 47 10.544 -6.216 -9.064 374 1HG1 ILE 47 1HG1 ILE 47 10.552 -4.324 -6.798 375 2HG1 ILE 47 2HG1 ILE 47 12.130 -4.964 -7.212 376 1HG2 ILE 47 1HG2 ILE 47 8.410 -5.723 -8.398 377 2HG2 ILE 47 2HG2 ILE 47 8.696 -7.216 -7.473 378 3HG2 ILE 47 3HG2 ILE 47 8.843 -5.633 -6.674 379 1HD1 ILE 47 1HD1 ILE 47 11.627 -2.900 -8.499 380 2HD1 ILE 47 2HD1 ILE 47 11.808 -4.301 -9.582 381 3HD1 ILE 47 3HD1 ILE 47 10.186 -3.684 -9.189 382 H ARG 48 H ARG 48 13.011 -6.891 -5.505 383 HA ARG 48 HA ARG 48 11.039 -7.398 -3.427 384 1HB ARG 48 1HB ARG 48 13.016 -8.363 -2.076 385 2HB ARG 48 2HB ARG 48 12.432 -9.354 -3.399 386 1HG ARG 48 1HG ARG 48 14.727 -7.386 -3.771 387 2HG ARG 48 2HG ARG 48 15.001 -9.019 -3.197 388 1HD ARG 48 1HD ARG 48 13.285 -9.273 -5.468 389 2HD ARG 48 2HD ARG 48 14.506 -8.100 -5.921 390 HE ARG 48 HE ARG 48 14.931 -10.946 -5.409 391 1HH1 ARG 48 1HH1 ARG 48 16.475 -7.784 -5.451 392 2HH1 ARG 48 2HH1 ARG 48 18.068 -8.424 -5.682 393 1HH2 ARG 48 1HH2 ARG 48 17.032 -11.790 -5.713 394 2HH2 ARG 48 2HH2 ARG 48 18.387 -10.718 -5.832 395 H GLU 49 H GLU 49 11.796 -6.434 -1.225 396 HA GLU 49 HA GLU 49 12.049 -3.805 -1.342 397 1HB GLU 49 1HB GLU 49 13.523 -4.343 0.946 398 2HB GLU 49 2HB GLU 49 11.774 -4.305 0.852 399 1HG GLU 49 1HG GLU 49 11.576 -6.633 0.810 400 2HG GLU 49 2HG GLU 49 13.130 -6.864 0.034 401 H GLY 50 H GLY 50 13.631 -2.220 -1.620 402 1HA GLY 50 1HA GLY 50 15.971 -1.624 -1.414 403 2HA GLY 50 2HA GLY 50 16.388 -3.197 -2.064 404 H ASP 51 H ASP 51 13.847 -2.845 -3.919 405 HA ASP 51 HA ASP 51 15.374 -1.747 -6.049 406 1HB ASP 51 1HB ASP 51 12.945 -3.355 -5.695 407 2HB ASP 51 2HB ASP 51 12.688 -2.104 -6.894 408 H ILE 52 H ILE 52 14.635 0.123 -7.378 409 HA ILE 52 HA ILE 52 13.363 2.133 -5.735 410 HB ILE 52 HB ILE 52 14.564 2.330 -8.498 411 1HG1 ILE 52 1HG1 ILE 52 16.191 3.540 -6.487 412 2HG1 ILE 52 2HG1 ILE 52 15.840 1.902 -5.972 413 1HG2 ILE 52 1HG2 ILE 52 13.702 4.415 -6.482 414 2HG2 ILE 52 2HG2 ILE 52 14.751 4.759 -7.878 415 3HG2 ILE 52 3HG2 ILE 52 13.092 4.167 -8.135 416 1HD1 ILE 52 1HD1 ILE 52 17.658 1.456 -7.330 417 2HD1 ILE 52 2HD1 ILE 52 16.381 1.376 -8.568 418 3HD1 ILE 52 3HD1 ILE 52 17.349 2.858 -8.382 419 H LEU 53 H LEU 53 11.358 3.069 -6.098 420 HA LEU 53 HA LEU 53 9.876 2.092 -8.419 421 1HB LEU 53 1HB LEU 53 9.431 1.339 -5.668 422 2HB LEU 53 2HB LEU 53 8.043 2.207 -6.294 423 HG LEU 53 HG LEU 53 8.296 0.550 -8.333 424 1HD1 LEU 53 1HD1 LEU 53 9.649 -0.984 -6.096 425 2HD1 LEU 53 2HD1 LEU 53 9.079 -1.678 -7.632 426 3HD1 LEU 53 3HD1 LEU 53 10.385 -0.469 -7.633 427 1HD2 LEU 53 1HD2 LEU 53 6.303 0.035 -7.508 428 2HD2 LEU 53 2HD2 LEU 53 7.096 -1.125 -6.415 429 3HD2 LEU 53 3HD2 LEU 53 6.794 0.544 -5.874 430 H MET 54 H MET 54 7.909 3.457 -8.853 431 HA MET 54 HA MET 54 8.559 6.191 -8.096 432 1HB MET 54 1HB MET 54 7.061 4.925 -10.444 433 2HB MET 54 2HB MET 54 6.963 6.647 -10.133 434 1HG MET 54 1HG MET 54 9.728 5.486 -10.175 435 2HG MET 54 2HG MET 54 8.887 5.510 -11.712 436 1HE MET 54 1HE MET 54 11.277 8.496 -9.873 437 2HE MET 54 2HE MET 54 9.915 8.485 -8.727 438 3HE MET 54 3HE MET 54 10.724 6.961 -9.162 439 H LEU 55 H LEU 55 7.212 7.309 -6.745 440 HA LEU 55 HA LEU 55 4.624 6.067 -6.173 441 1HB LEU 55 1HB LEU 55 6.244 8.066 -4.588 442 2HB LEU 55 2HB LEU 55 4.698 7.396 -4.108 443 HG LEU 55 HG LEU 55 6.727 6.388 -3.010 444 1HD1 LEU 55 1HD1 LEU 55 5.476 4.594 -2.592 445 2HD1 LEU 55 2HD1 LEU 55 4.336 5.228 -3.803 446 3HD1 LEU 55 3HD1 LEU 55 5.567 4.034 -4.279 447 1HD2 LEU 55 1HD2 LEU 55 8.060 6.395 -5.189 448 2HD2 LEU 55 2HD2 LEU 55 8.192 4.954 -4.153 449 3HD2 LEU 55 3HD2 LEU 55 7.166 4.914 -5.607 450 H LEU 56 H LEU 56 2.994 6.863 -7.391 451 HA LEU 56 HA LEU 56 3.119 9.713 -8.065 452 1HB LEU 56 1HB LEU 56 3.095 8.209 -9.965 453 2HB LEU 56 2HB LEU 56 1.651 7.417 -9.366 454 HG LEU 56 HG LEU 56 0.737 9.961 -9.505 455 1HD1 LEU 56 1HD1 LEU 56 2.400 9.845 -11.998 456 2HD1 LEU 56 2HD1 LEU 56 1.629 11.238 -11.201 457 3HD1 LEU 56 3HD1 LEU 56 3.095 10.511 -10.501 458 1HD2 LEU 56 1HD2 LEU 56 0.518 8.767 -12.130 459 2HD2 LEU 56 2HD2 LEU 56 0.335 7.538 -10.855 460 3HD2 LEU 56 3HD2 LEU 56 -0.716 8.975 -10.864 461 H ASP 57 H ASP 57 1.437 11.105 -7.510 462 HA ASP 57 HA ASP 57 0.088 10.549 -5.209 463 1HB ASP 57 1HB ASP 57 0.450 12.829 -6.094 464 2HB ASP 57 2HB ASP 57 -0.604 12.500 -7.455 465 H THR 58 H THR 58 -1.745 9.290 -4.811 466 HA THR 58 HA THR 58 -3.096 8.050 -7.005 467 HB THR 58 HB THR 58 -2.516 7.076 -4.672 468 HG1 THR 58 HG1 THR 58 -4.102 5.726 -5.417 469 1HG2 THR 58 1HG2 THR 58 -3.756 7.677 -2.808 470 2HG2 THR 58 2HG2 THR 58 -3.882 9.237 -3.656 471 3HG2 THR 58 3HG2 THR 58 -5.203 8.050 -3.776 472 H ILE 59 H ILE 59 -5.171 8.339 -7.785 473 HA ILE 59 HA ILE 59 -6.253 10.974 -7.199 474 HB ILE 59 HB ILE 59 -6.816 8.967 -9.383 475 1HG1 ILE 59 1HG1 ILE 59 -5.547 11.692 -9.662 476 2HG1 ILE 59 2HG1 ILE 59 -4.591 10.266 -9.310 477 1HG2 ILE 59 1HG2 ILE 59 -7.845 11.792 -9.369 478 2HG2 ILE 59 2HG2 ILE 59 -8.391 10.388 -10.317 479 3HG2 ILE 59 3HG2 ILE 59 -8.760 10.486 -8.579 480 1HD1 ILE 59 1HD1 ILE 59 -6.025 9.261 -11.369 481 2HD1 ILE 59 2HD1 ILE 59 -6.090 10.985 -11.808 482 3HD1 ILE 59 3HD1 ILE 59 -4.517 10.172 -11.621 483 H ARG 60 H ARG 60 -7.795 11.199 -5.680 484 HA ARG 60 HA ARG 60 -9.179 8.832 -4.846 485 1HB ARG 60 1HB ARG 60 -8.236 10.507 -3.199 486 2HB ARG 60 2HB ARG 60 -9.372 11.701 -3.795 487 1HG ARG 60 1HG ARG 60 -10.489 9.045 -2.913 488 2HG ARG 60 2HG ARG 60 -9.921 10.135 -1.664 489 1HD ARG 60 1HD ARG 60 -11.596 11.455 -3.740 490 2HD ARG 60 2HD ARG 60 -12.442 10.225 -2.822 491 HE ARG 60 HE ARG 60 -10.928 11.906 -1.033 492 1HH1 ARG 60 1HH1 ARG 60 -13.835 11.905 -3.016 493 2HH1 ARG 60 2HH1 ARG 60 -14.655 13.076 -2.040 494 1HH2 ARG 60 1HH2 ARG 60 -12.010 13.452 0.255 495 2HH2 ARG 60 2HH2 ARG 60 -13.611 13.963 -0.167 496 H GLU 61 H GLU 61 -11.260 8.314 -5.486 497 HA GLU 61 HA GLU 61 -12.660 10.373 -6.988 498 1HB GLU 61 1HB GLU 61 -12.119 7.658 -7.549 499 2HB GLU 61 2HB GLU 61 -13.824 7.690 -7.143 500 1HG GLU 61 1HG GLU 61 -13.995 8.227 -9.390 501 2HG GLU 61 2HG GLU 61 -13.817 9.848 -8.747 502 H ALA 62 H ALA 62 -15.063 10.518 -6.714 503 HA ALA 62 HA ALA 62 -15.727 10.668 -3.983 504 1HB ALA 62 1HB ALA 62 -18.017 10.658 -5.778 505 2HB ALA 62 2HB ALA 62 -17.331 11.998 -4.828 506 3HB ALA 62 3HB ALA 62 -16.690 11.636 -6.448 507 H LYS 63 H LYS 63 -17.137 9.390 -2.710 508 HA LYS 63 HA LYS 63 -17.280 6.639 -3.617 509 1HB LYS 63 1HB LYS 63 -16.349 7.096 -1.409 510 2HB LYS 63 2HB LYS 63 -17.815 7.925 -0.923 511 1HG LYS 63 1HG LYS 63 -18.470 5.285 -1.987 512 2HG LYS 63 2HG LYS 63 -17.260 5.137 -0.729 513 1HD LYS 63 1HD LYS 63 -18.746 5.675 0.914 514 2HD LYS 63 2HD LYS 63 -19.350 7.061 0.027 515 1HE LYS 63 1HE LYS 63 -20.566 5.262 -1.481 516 2HE LYS 63 2HE LYS 63 -20.266 4.171 -0.142 517 1HZ LYS 63 1HZ LYS 63 -21.884 6.597 -0.167 518 2HZ LYS 63 2HZ LYS 63 -22.286 5.102 0.351 519 3HZ LYS 63 3HZ LYS 63 -21.284 6.033 1.244 520 H GLU 64 H GLU 64 -19.055 5.807 -4.566 521 HA GLU 64 HA GLU 64 -21.507 7.337 -4.239 522 1HB GLU 64 1HB GLU 64 -22.246 6.293 -6.342 523 2HB GLU 64 2HB GLU 64 -20.695 7.077 -6.564 524 1HG GLU 64 1HG GLU 64 -20.392 4.279 -5.685 525 2HG GLU 64 2HG GLU 64 -21.312 4.399 -7.172 526 H ILE 65 H ILE 65 -23.573 6.115 -4.011 527 HA ILE 65 HA ILE 65 -23.220 3.973 -2.144 528 HB ILE 65 HB ILE 65 -25.630 5.387 -3.275 529 1HG1 ILE 65 1HG1 ILE 65 -24.971 5.482 -0.391 530 2HG1 ILE 65 2HG1 ILE 65 -23.814 6.272 -1.444 531 1HG2 ILE 65 1HG2 ILE 65 -27.000 4.194 -1.677 532 2HG2 ILE 65 2HG2 ILE 65 -26.184 3.036 -2.754 533 3HG2 ILE 65 3HG2 ILE 65 -25.587 3.282 -1.096 534 1HD1 ILE 65 1HD1 ILE 65 -26.820 6.765 -1.604 535 2HD1 ILE 65 2HD1 ILE 65 -25.702 7.770 -0.649 536 3HD1 ILE 65 3HD1 ILE 65 -25.534 7.687 -2.419 537 H ARG 66 H ARG 66 -22.960 1.879 -2.679 538 HA ARG 66 HA ARG 66 -23.364 1.096 -5.358 539 1HB ARG 66 1HB ARG 66 -21.664 0.229 -3.482 540 2HB ARG 66 2HB ARG 66 -22.961 -0.886 -3.101 541 1HG ARG 66 1HG ARG 66 -22.892 -1.134 -5.841 542 2HG ARG 66 2HG ARG 66 -21.209 -0.769 -5.517 543 1HD ARG 66 1HD ARG 66 -21.742 -2.630 -3.533 544 2HD ARG 66 2HD ARG 66 -22.784 -3.200 -4.821 545 HE ARG 66 HE ARG 66 -20.305 -2.640 -6.040 546 1HH1 ARG 66 1HH1 ARG 66 -21.513 -4.793 -3.532 547 2HH1 ARG 66 2HH1 ARG 66 -20.319 -6.013 -3.826 548 1HH2 ARG 66 1HH2 ARG 66 -18.729 -4.248 -6.427 549 2HH2 ARG 66 2HH2 ARG 66 -18.725 -5.701 -5.483 550 H THR 67 H THR 67 -25.280 0.383 -6.242 551 HA THR 67 HA THR 67 -27.438 -0.325 -4.408 552 HB THR 67 HB THR 67 -28.815 -0.031 -6.492 553 HG1 THR 67 HG1 THR 67 -27.510 -0.443 -8.247 554 1HG2 THR 67 1HG2 THR 67 -27.722 2.384 -7.101 555 2HG2 THR 67 2HG2 THR 67 -28.678 2.130 -5.621 556 3HG2 THR 67 3HG2 THR 67 -26.899 2.093 -5.550 557 HA PRO 68 HA PRO 68 -27.119 -4.529 -5.212 558 1HB PRO 68 1HB PRO 68 -29.625 -5.367 -4.515 559 2HB PRO 68 2HB PRO 68 -28.362 -5.044 -3.344 560 1HG PRO 68 1HG PRO 68 -30.735 -3.412 -4.008 561 2HG PRO 68 2HG PRO 68 -29.714 -3.337 -2.586 562 1HD PRO 68 1HD PRO 68 -29.694 -1.526 -4.810 563 2HD PRO 68 2HD PRO 68 -28.597 -1.520 -3.444 Start of MODEL 14 1 HA MET 1 HA MET 1 10.998 13.658 -8.905 2 1HB MET 1 1HB MET 1 12.385 14.282 -6.879 3 2HB MET 1 2HB MET 1 12.080 15.977 -7.206 4 1HG MET 1 1HG MET 1 9.548 15.379 -7.073 5 2HG MET 1 2HG MET 1 10.058 13.849 -6.386 6 1HE MET 1 1HE MET 1 9.467 17.683 -4.230 7 2HE MET 1 2HE MET 1 10.004 17.765 -5.925 8 3HE MET 1 3HE MET 1 8.546 16.838 -5.498 9 H ASP 2 H ASP 2 10.247 14.546 -11.081 10 HA ASP 2 HA ASP 2 9.262 17.263 -10.804 11 1HB ASP 2 1HB ASP 2 9.285 15.477 -13.280 12 2HB ASP 2 2HB ASP 2 8.936 17.194 -13.244 13 H ASP 3 H ASP 3 8.397 13.874 -10.803 14 HA ASP 3 HA ASP 3 5.625 14.626 -10.567 15 1HB ASP 3 1HB ASP 3 6.764 13.222 -12.862 16 2HB ASP 3 2HB ASP 3 5.630 12.176 -12.030 17 H ALA 4 H ALA 4 7.557 11.569 -11.072 18 HA ALA 4 HA ALA 4 6.327 10.412 -8.728 19 1HB ALA 4 1HB ALA 4 7.874 9.505 -11.105 20 2HB ALA 4 2HB ALA 4 8.111 8.561 -9.614 21 3HB ALA 4 3HB ALA 4 6.477 8.756 -10.294 22 H THR 5 H THR 5 7.481 9.688 -6.859 23 HA THR 5 HA THR 5 9.936 11.227 -6.414 24 HB THR 5 HB THR 5 7.647 11.155 -4.961 25 HG1 THR 5 HG1 THR 5 10.322 10.947 -3.788 26 1HG2 THR 5 1HG2 THR 5 9.400 9.288 -3.357 27 2HG2 THR 5 2HG2 THR 5 7.648 9.573 -3.227 28 3HG2 THR 5 3HG2 THR 5 8.290 8.568 -4.548 29 HA PRO 6 HA PRO 6 12.276 7.619 -6.581 30 1HB PRO 6 1HB PRO 6 14.630 8.588 -5.588 31 2HB PRO 6 2HB PRO 6 14.139 8.790 -7.258 32 1HG PRO 6 1HG PRO 6 14.145 10.782 -5.074 33 2HG PRO 6 2HG PRO 6 14.072 11.051 -6.805 34 1HD PRO 6 1HD PRO 6 11.893 11.224 -4.948 35 2HD PRO 6 2HD PRO 6 11.799 11.377 -6.691 36 H ALA 7 H ALA 7 11.503 6.009 -5.335 37 HA ALA 7 HA ALA 7 12.443 6.164 -2.558 38 1HB ALA 7 1HB ALA 7 10.357 5.614 -1.713 39 2HB ALA 7 2HB ALA 7 9.882 6.618 -3.104 40 3HB ALA 7 3HB ALA 7 9.827 4.843 -3.228 41 H GLU 8 H GLU 8 12.692 3.993 -1.541 42 HA GLU 8 HA GLU 8 13.257 2.019 -3.615 43 1HB GLU 8 1HB GLU 8 14.655 2.375 -0.927 44 2HB GLU 8 2HB GLU 8 15.055 1.167 -2.132 45 1HG GLU 8 1HG GLU 8 15.669 2.923 -3.756 46 2HG GLU 8 2HG GLU 8 15.143 4.176 -2.650 47 H VAL 9 H VAL 9 12.373 -0.036 -3.395 48 HA VAL 9 HA VAL 9 10.161 -0.398 -1.808 49 HB VAL 9 HB VAL 9 12.009 -2.557 -2.835 50 1HG1 VAL 9 1HG1 VAL 9 9.837 -2.910 -1.301 51 2HG1 VAL 9 2HG1 VAL 9 9.037 -2.797 -2.887 52 3HG1 VAL 9 3HG1 VAL 9 10.286 -4.034 -2.606 53 1HG2 VAL 9 1HG2 VAL 9 11.722 -1.255 -4.743 54 2HG2 VAL 9 2HG2 VAL 9 10.374 -2.413 -4.860 55 3HG2 VAL 9 3HG2 VAL 9 10.076 -0.755 -4.282 56 H ILE 10 H ILE 10 9.794 -0.948 0.296 57 HA ILE 10 HA ILE 10 12.183 -1.604 1.868 58 HB ILE 10 HB ILE 10 10.991 -0.667 3.772 59 1HG1 ILE 10 1HG1 ILE 10 8.829 0.262 1.874 60 2HG1 ILE 10 2HG1 ILE 10 8.686 -1.216 2.804 61 1HG2 ILE 10 1HG2 ILE 10 12.354 0.687 1.947 62 2HG2 ILE 10 2HG2 ILE 10 10.777 1.478 1.707 63 3HG2 ILE 10 3HG2 ILE 10 11.547 1.498 3.311 64 1HD1 ILE 10 1HD1 ILE 10 9.309 1.485 4.075 65 2HD1 ILE 10 2HD1 ILE 10 7.660 0.837 3.901 66 3HD1 ILE 10 3HD1 ILE 10 8.852 -0.021 4.908 67 H GLU 11 H GLU 11 8.756 -2.423 1.166 68 HA GLU 11 HA GLU 11 9.335 -5.029 2.318 69 1HB GLU 11 1HB GLU 11 7.999 -4.210 4.047 70 2HB GLU 11 2HB GLU 11 7.070 -3.166 2.990 71 1HG GLU 11 1HG GLU 11 5.744 -5.131 3.810 72 2HG GLU 11 2HG GLU 11 5.849 -5.074 2.061 73 H VAL 12 H VAL 12 8.489 -6.792 1.151 74 HA VAL 12 HA VAL 12 6.939 -6.056 -1.236 75 HB VAL 12 HB VAL 12 8.994 -6.536 -2.140 76 1HG1 VAL 12 1HG1 VAL 12 9.407 -8.830 -0.196 77 2HG1 VAL 12 2HG1 VAL 12 10.591 -8.157 -1.342 78 3HG1 VAL 12 3HG1 VAL 12 10.039 -7.182 0.041 79 1HG2 VAL 12 1HG2 VAL 12 8.738 -8.493 -3.380 80 2HG2 VAL 12 2HG2 VAL 12 8.020 -9.385 -2.018 81 3HG2 VAL 12 3HG2 VAL 12 7.073 -8.136 -2.861 82 H LEU 13 H LEU 13 5.076 -7.207 -1.569 83 HA LEU 13 HA LEU 13 4.575 -9.356 0.363 84 1HB LEU 13 1HB LEU 13 2.321 -8.184 -1.130 85 2HB LEU 13 2HB LEU 13 2.445 -8.665 0.551 86 HG LEU 13 HG LEU 13 2.096 -6.330 0.546 87 1HD1 LEU 13 1HD1 LEU 13 3.844 -5.567 1.856 88 2HD1 LEU 13 2HD1 LEU 13 4.023 -7.334 1.972 89 3HD1 LEU 13 3HD1 LEU 13 5.081 -6.401 0.885 90 1HD2 LEU 13 1HD2 LEU 13 2.654 -4.975 -1.121 91 2HD2 LEU 13 2HD2 LEU 13 4.385 -5.330 -0.906 92 3HD2 LEU 13 3HD2 LEU 13 3.385 -6.373 -1.946 93 H LYS 14 H LYS 14 5.020 -11.317 -0.499 94 HA LYS 14 HA LYS 14 3.904 -11.843 -3.151 95 1HB LYS 14 1HB LYS 14 5.874 -12.867 -3.951 96 2HB LYS 14 2HB LYS 14 6.374 -11.323 -3.291 97 1HG LYS 14 1HG LYS 14 6.527 -13.065 -1.084 98 2HG LYS 14 2HG LYS 14 7.093 -14.045 -2.421 99 1HD LYS 14 1HD LYS 14 8.227 -11.351 -2.581 100 2HD LYS 14 2HD LYS 14 8.556 -12.059 -1.012 101 1HE LYS 14 1HE LYS 14 9.272 -14.198 -2.360 102 2HE LYS 14 2HE LYS 14 9.323 -13.133 -3.751 103 1HZ LYS 14 1HZ LYS 14 10.699 -12.385 -1.289 104 2HZ LYS 14 2HZ LYS 14 11.404 -13.411 -2.345 105 3HZ LYS 14 3HZ LYS 14 11.004 -11.900 -2.818 106 H ARG 15 H ARG 15 3.001 -13.899 -3.390 107 HA ARG 15 HA ARG 15 2.836 -15.337 -0.878 108 1HB ARG 15 1HB ARG 15 1.019 -14.994 -3.257 109 2HB ARG 15 2HB ARG 15 0.925 -16.525 -2.409 110 1HG ARG 15 1HG ARG 15 0.633 -15.221 -0.236 111 2HG ARG 15 2HG ARG 15 0.550 -13.751 -1.187 112 1HD ARG 15 1HD ARG 15 -1.262 -15.809 -2.253 113 2HD ARG 15 2HD ARG 15 -1.601 -15.478 -0.566 114 HE ARG 15 HE ARG 15 -1.931 -13.619 -2.819 115 1HH1 ARG 15 1HH1 ARG 15 -1.639 -13.930 0.673 116 2HH1 ARG 15 2HH1 ARG 15 -2.407 -12.412 1.001 117 1HH2 ARG 15 1HH2 ARG 15 -2.944 -11.616 -2.388 118 2HH2 ARG 15 2HH2 ARG 15 -3.154 -11.087 -0.752 119 H THR 16 H THR 16 3.248 -17.631 -0.796 120 HA THR 16 HA THR 16 5.331 -18.646 -2.147 121 HB THR 16 HB THR 16 2.830 -19.948 -0.982 122 HG1 THR 16 HG1 THR 16 4.514 -18.775 0.308 123 1HG2 THR 16 1HG2 THR 16 5.176 -21.672 -1.046 124 2HG2 THR 16 2HG2 THR 16 3.533 -22.021 -1.635 125 3HG2 THR 16 3HG2 THR 16 4.717 -21.239 -2.710 126 H GLY 17 H GLY 17 1.898 -19.299 -3.138 127 1HA GLY 17 1HA GLY 17 2.358 -18.851 -5.862 128 2HA GLY 17 2HA GLY 17 2.609 -20.558 -5.550 129 H MET 18 H MET 18 0.799 -21.638 -6.223 130 HA MET 18 HA MET 18 -1.282 -22.226 -6.452 131 1HB MET 18 1HB MET 18 -1.110 -22.265 -3.910 132 2HB MET 18 2HB MET 18 -1.743 -20.632 -3.869 133 1HG MET 18 1HG MET 18 -3.901 -21.296 -4.539 134 2HG MET 18 2HG MET 18 -3.323 -22.729 -5.366 135 1HE MET 18 1HE MET 18 -5.845 -23.540 -3.052 136 2HE MET 18 2HE MET 18 -5.394 -22.485 -1.692 137 3HE MET 18 3HE MET 18 -5.494 -21.819 -3.340 138 H THR 19 H THR 19 -1.701 -21.009 -8.374 139 HA THR 19 HA THR 19 -2.709 -19.493 -9.652 140 HB THR 19 HB THR 19 -4.471 -19.400 -7.154 141 HG1 THR 19 HG1 THR 19 -4.631 -20.540 -9.856 142 1HG2 THR 19 1HG2 THR 19 -4.588 -17.801 -9.647 143 2HG2 THR 19 2HG2 THR 19 -6.041 -18.797 -9.392 144 3HG2 THR 19 3HG2 THR 19 -5.536 -17.624 -8.152 145 H GLY 20 H GLY 20 -1.181 -17.964 -10.076 146 1HA GLY 20 1HA GLY 20 -1.582 -15.380 -8.977 147 2HA GLY 20 2HA GLY 20 -0.156 -16.119 -8.276 148 H GLU 21 H GLU 21 -0.814 -13.896 -10.446 149 HA GLU 21 HA GLU 21 1.191 -14.898 -12.311 150 1HB GLU 21 1HB GLU 21 0.042 -13.519 -14.087 151 2HB GLU 21 2HB GLU 21 -0.905 -14.878 -13.515 152 1HG GLU 21 1HG GLU 21 -2.153 -13.355 -11.967 153 2HG GLU 21 2HG GLU 21 -1.208 -11.997 -12.543 154 H VAL 22 H VAL 22 -0.357 -12.057 -10.714 155 HA VAL 22 HA VAL 22 2.180 -10.624 -11.107 156 HB VAL 22 HB VAL 22 -0.680 -9.677 -11.123 157 1HG1 VAL 22 1HG1 VAL 22 0.658 -8.225 -9.606 158 2HG1 VAL 22 2HG1 VAL 22 1.784 -7.910 -10.947 159 3HG1 VAL 22 3HG1 VAL 22 0.089 -7.379 -11.064 160 1HG2 VAL 22 1HG2 VAL 22 -0.399 -9.489 -13.330 161 2HG2 VAL 22 2HG2 VAL 22 1.099 -8.552 -13.116 162 3HG2 VAL 22 3HG2 VAL 22 1.158 -10.331 -13.148 163 H MET 23 H MET 23 3.157 -9.731 -9.295 164 HA MET 23 HA MET 23 1.779 -10.343 -6.797 165 1HB MET 23 1HB MET 23 3.944 -10.774 -5.829 166 2HB MET 23 2HB MET 23 4.025 -11.514 -7.416 167 1HG MET 23 1HG MET 23 4.828 -8.844 -7.870 168 2HG MET 23 2HG MET 23 5.572 -9.254 -6.338 169 1HE MET 23 1HE MET 23 7.893 -9.319 -6.829 170 2HE MET 23 2HE MET 23 7.619 -10.914 -6.088 171 3HE MET 23 3HE MET 23 8.682 -10.763 -7.507 172 H GLN 24 H GLN 24 2.196 -8.827 -4.953 173 HA GLN 24 HA GLN 24 2.466 -6.131 -6.010 174 1HB GLN 24 1HB GLN 24 1.155 -5.397 -4.082 175 2HB GLN 24 2HB GLN 24 0.310 -6.700 -4.895 176 1HG GLN 24 1HG GLN 24 1.949 -8.040 -3.043 177 2HG GLN 24 2HG GLN 24 1.430 -6.613 -2.168 178 1HE2 GLN 24 1HE2 GLN 24 -0.615 -6.408 -1.479 179 2HE2 GLN 24 2HE2 GLN 24 -1.868 -7.586 -1.690 180 H VAL 25 H VAL 25 3.581 -4.498 -4.585 181 HA VAL 25 HA VAL 25 5.475 -5.703 -2.722 182 HB VAL 25 HB VAL 25 6.327 -5.437 -5.183 183 1HG1 VAL 25 1HG1 VAL 25 6.768 -2.619 -4.144 184 2HG1 VAL 25 2HG1 VAL 25 7.297 -3.287 -5.707 185 3HG1 VAL 25 3HG1 VAL 25 5.563 -3.068 -5.374 186 1HG2 VAL 25 1HG2 VAL 25 8.590 -4.552 -4.092 187 2HG2 VAL 25 2HG2 VAL 25 7.685 -4.838 -2.586 188 3HG2 VAL 25 3HG2 VAL 25 7.945 -6.172 -3.735 189 H LYS 26 H LYS 26 6.472 -4.062 -1.281 190 HA LYS 26 HA LYS 26 4.720 -1.711 -1.076 191 1HB LYS 26 1HB LYS 26 4.662 -3.622 0.711 192 2HB LYS 26 2HB LYS 26 6.167 -2.920 1.270 193 1HG LYS 26 1HG LYS 26 4.825 -0.629 1.153 194 2HG LYS 26 2HG LYS 26 3.411 -1.664 1.185 195 1HD LYS 26 1HD LYS 26 5.662 -1.787 3.247 196 2HD LYS 26 2HD LYS 26 4.175 -0.887 3.474 197 1HE LYS 26 1HE LYS 26 2.869 -3.026 3.158 198 2HE LYS 26 2HE LYS 26 4.380 -3.903 3.023 199 1HZ LYS 26 1HZ LYS 26 4.373 -2.272 5.316 200 2HZ LYS 26 2HZ LYS 26 3.073 -3.261 5.322 201 3HZ LYS 26 3HZ LYS 26 4.576 -3.889 5.204 202 H CYS 27 H CYS 27 5.658 0.292 -1.061 203 HA CYS 27 HA CYS 27 8.542 0.391 -0.670 204 1HB CYS 27 1HB CYS 27 8.880 1.793 -2.629 205 2HB CYS 27 2HB CYS 27 8.215 0.243 -3.103 206 HG CYS 27 HG CYS 27 5.636 1.456 -2.611 207 H ARG 28 H ARG 28 9.116 2.176 0.585 208 HA ARG 28 HA ARG 28 6.910 3.951 1.224 209 1HB ARG 28 1HB ARG 28 7.987 2.650 3.105 210 2HB ARG 28 2HB ARG 28 9.509 3.448 2.762 211 1HG ARG 28 1HG ARG 28 7.406 5.448 3.019 212 2HG ARG 28 2HG ARG 28 7.379 4.393 4.418 213 1HD ARG 28 1HD ARG 28 10.142 5.042 3.754 214 2HD ARG 28 2HD ARG 28 9.211 6.522 3.879 215 HE ARG 28 HE ARG 28 8.945 6.146 6.180 216 1HH1 ARG 28 1HH1 ARG 28 10.061 3.189 4.634 217 2HH1 ARG 28 2HH1 ARG 28 10.338 2.360 6.130 218 1HH2 ARG 28 1HH2 ARG 28 9.311 5.053 8.154 219 2HH2 ARG 28 2HH2 ARG 28 9.908 3.428 8.145 220 H ILE 29 H ILE 29 7.153 6.226 1.015 221 HA ILE 29 HA ILE 29 8.904 7.153 -0.912 222 HB ILE 29 HB ILE 29 7.127 8.399 1.136 223 1HG1 ILE 29 1HG1 ILE 29 7.174 7.963 -1.806 224 2HG1 ILE 29 2HG1 ILE 29 5.847 7.843 -0.668 225 1HG2 ILE 29 1HG2 ILE 29 9.180 9.801 1.084 226 2HG2 ILE 29 2HG2 ILE 29 8.942 10.022 -0.666 227 3HG2 ILE 29 3HG2 ILE 29 7.727 10.633 0.481 228 1HD1 ILE 29 1HD1 ILE 29 7.121 10.477 -1.540 229 2HD1 ILE 29 2HD1 ILE 29 5.623 9.800 -2.224 230 3HD1 ILE 29 3HD1 ILE 29 5.679 10.289 -0.514 231 H LEU 30 H LEU 30 10.935 8.091 -0.903 232 HA LEU 30 HA LEU 30 12.352 7.849 1.647 233 1HB LEU 30 1HB LEU 30 13.274 7.805 -1.223 234 2HB LEU 30 2HB LEU 30 14.380 7.960 0.128 235 HG LEU 30 HG LEU 30 12.610 5.614 -0.570 236 1HD1 LEU 30 1HD1 LEU 30 14.659 4.380 -0.732 237 2HD1 LEU 30 2HD1 LEU 30 14.817 5.862 -1.705 238 3HD1 LEU 30 3HD1 LEU 30 15.599 5.758 -0.109 239 1HD2 LEU 30 1HD2 LEU 30 13.999 6.216 2.041 240 2HD2 LEU 30 2HD2 LEU 30 12.308 5.739 1.756 241 3HD2 LEU 30 3HD2 LEU 30 13.617 4.556 1.524 242 H ASP 31 H ASP 31 10.975 10.098 -0.596 243 HA ASP 31 HA ASP 31 11.869 12.234 1.023 244 1HB ASP 31 1HB ASP 31 12.661 12.365 -1.914 245 2HB ASP 31 2HB ASP 31 13.092 13.494 -0.644 246 H GLY 32 H GLY 32 10.646 14.243 0.449 247 1HA GLY 32 1HA GLY 32 9.206 15.180 -1.393 248 2HA GLY 32 2HA GLY 32 8.335 13.662 -1.300 249 H ARG 33 H ARG 33 6.967 16.060 -0.875 250 HA ARG 33 HA ARG 33 6.930 16.877 1.762 251 1HB ARG 33 1HB ARG 33 4.680 17.850 1.169 252 2HB ARG 33 2HB ARG 33 5.914 18.223 -0.019 253 1HG ARG 33 1HG ARG 33 4.775 17.139 -1.658 254 2HG ARG 33 2HG ARG 33 4.642 15.685 -0.689 255 1HD ARG 33 1HD ARG 33 2.466 16.127 -0.193 256 2HD ARG 33 2HD ARG 33 2.862 17.735 0.380 257 HE ARG 33 HE ARG 33 2.987 17.762 -2.474 258 1HH1 ARG 33 1HH1 ARG 33 0.609 17.442 0.100 259 2HH1 ARG 33 2HH1 ARG 33 -0.687 18.099 -0.841 260 1HH2 ARG 33 1HH2 ARG 33 1.277 18.630 -3.717 261 2HH2 ARG 33 2HH2 ARG 33 -0.305 18.779 -3.027 262 H ASP 34 H ASP 34 5.832 13.958 0.257 263 HA ASP 34 HA ASP 34 3.912 13.483 2.375 264 1HB ASP 34 1HB ASP 34 4.561 12.036 -0.228 265 2HB ASP 34 2HB ASP 34 3.486 11.347 0.971 266 H LYS 35 H LYS 35 7.131 13.375 2.157 267 HA LYS 35 HA LYS 35 8.344 11.108 2.285 268 1HB LYS 35 1HB LYS 35 8.829 13.533 3.405 269 2HB LYS 35 2HB LYS 35 8.659 12.562 4.853 270 1HG LYS 35 1HG LYS 35 10.416 11.049 4.171 271 2HG LYS 35 2HG LYS 35 10.416 11.668 2.532 272 1HD LYS 35 1HD LYS 35 11.244 13.240 5.018 273 2HD LYS 35 2HD LYS 35 12.343 12.548 3.842 274 1HE LYS 35 1HE LYS 35 12.151 14.399 2.546 275 2HE LYS 35 2HE LYS 35 10.429 14.122 2.381 276 1HZ LYS 35 1HZ LYS 35 11.589 15.426 4.738 277 2HZ LYS 35 2HZ LYS 35 11.088 16.259 3.426 278 3HZ LYS 35 3HZ LYS 35 10.018 15.384 4.296 279 H GLY 36 H GLY 36 8.264 9.092 3.183 280 1HA GLY 36 1HA GLY 36 7.788 7.547 4.836 281 2HA GLY 36 2HA GLY 36 6.715 8.687 5.624 282 H ARG 37 H ARG 37 5.785 9.138 2.535 283 HA ARG 37 HA ARG 37 3.439 7.714 2.850 284 1HB ARG 37 1HB ARG 37 4.493 9.651 1.058 285 2HB ARG 37 2HB ARG 37 4.054 8.296 0.037 286 1HG ARG 37 1HG ARG 37 1.817 8.340 1.529 287 2HG ARG 37 2HG ARG 37 2.289 10.008 1.787 288 1HD ARG 37 1HD ARG 37 2.426 10.331 -0.710 289 2HD ARG 37 2HD ARG 37 1.892 8.678 -0.939 290 HE ARG 37 HE ARG 37 0.027 10.011 0.783 291 1HH1 ARG 37 1HH1 ARG 37 1.074 9.992 -2.577 292 2HH1 ARG 37 2HH1 ARG 37 -0.453 10.536 -3.188 293 1HH2 ARG 37 1HH2 ARG 37 -1.987 10.729 -0.023 294 2HH2 ARG 37 2HH2 ARG 37 -2.205 10.958 -1.726 295 H ILE 38 H ILE 38 2.856 5.614 2.299 296 HA ILE 38 HA ILE 38 4.786 4.128 0.654 297 HB ILE 38 HB ILE 38 3.178 3.138 3.012 298 1HG1 ILE 38 1HG1 ILE 38 6.037 2.840 3.248 299 2HG1 ILE 38 2HG1 ILE 38 5.649 4.519 2.931 300 1HG2 ILE 38 1HG2 ILE 38 4.275 1.017 2.705 301 2HG2 ILE 38 2HG2 ILE 38 3.450 1.469 1.193 302 3HG2 ILE 38 3HG2 ILE 38 5.215 1.652 1.333 303 1HD1 ILE 38 1HD1 ILE 38 5.627 3.627 5.414 304 2HD1 ILE 38 2HD1 ILE 38 4.344 4.737 4.877 305 3HD1 ILE 38 3HD1 ILE 38 4.024 2.989 4.976 306 H LEU 39 H LEU 39 3.976 3.410 -1.239 307 HA LEU 39 HA LEU 39 1.061 3.069 -1.370 308 1HB LEU 39 1HB LEU 39 2.944 4.285 -3.387 309 2HB LEU 39 2HB LEU 39 1.332 3.734 -3.796 310 HG LEU 39 HG LEU 39 0.467 5.319 -1.993 311 1HD1 LEU 39 1HD1 LEU 39 1.878 6.449 -0.712 312 2HD1 LEU 39 2HD1 LEU 39 3.243 5.634 -1.513 313 3HD1 LEU 39 3HD1 LEU 39 2.635 7.183 -2.146 314 1HD2 LEU 39 1HD2 LEU 39 -0.077 6.143 -4.026 315 2HD2 LEU 39 2HD2 LEU 39 1.138 7.371 -3.597 316 3HD2 LEU 39 3HD2 LEU 39 1.583 6.009 -4.654 317 H THR 40 H THR 40 0.421 1.038 -1.853 318 HA THR 40 HA THR 40 2.485 -0.783 -2.876 319 HB THR 40 HB THR 40 -0.131 -1.788 -1.813 320 HG1 THR 40 HG1 THR 40 0.828 -1.261 0.386 321 1HG2 THR 40 1HG2 THR 40 2.809 -2.359 -1.159 322 2HG2 THR 40 2HG2 THR 40 1.419 -3.252 -0.496 323 3HG2 THR 40 3HG2 THR 40 1.783 -3.336 -2.236 324 H ARG 41 H ARG 41 2.379 -1.672 -4.855 325 HA ARG 41 HA ARG 41 -0.188 -1.502 -6.189 326 1HB ARG 41 1HB ARG 41 2.337 -0.952 -7.769 327 2HB ARG 41 2HB ARG 41 0.692 -0.471 -8.133 328 1HG ARG 41 1HG ARG 41 1.247 1.564 -7.276 329 2HG ARG 41 2HG ARG 41 1.144 0.807 -5.698 330 1HD ARG 41 1HD ARG 41 3.723 0.591 -7.279 331 2HD ARG 41 2HD ARG 41 3.364 2.078 -6.423 332 HE ARG 41 HE ARG 41 2.907 0.229 -4.468 333 1HH1 ARG 41 1HH1 ARG 41 5.585 0.619 -6.717 334 2HH1 ARG 41 2HH1 ARG 41 6.754 -0.075 -5.644 335 1HH2 ARG 41 1HH2 ARG 41 4.449 -0.686 -3.052 336 2HH2 ARG 41 2HH2 ARG 41 6.104 -0.822 -3.545 337 H ASN 42 H ASN 42 -0.354 -3.055 -8.063 338 HA ASN 42 HA ASN 42 1.084 -5.438 -7.405 339 1HB ASN 42 1HB ASN 42 -0.447 -6.496 -9.086 340 2HB ASN 42 2HB ASN 42 -1.341 -5.565 -7.900 341 1HD2 ASN 42 1HD2 ASN 42 -2.211 -3.552 -8.441 342 2HD2 ASN 42 2HD2 ASN 42 -2.508 -3.074 -10.079 343 H VAL 43 H VAL 43 2.983 -6.005 -8.480 344 HA VAL 43 HA VAL 43 3.295 -5.065 -11.237 345 HB VAL 43 HB VAL 43 4.548 -3.516 -9.956 346 1HG1 VAL 43 1HG1 VAL 43 5.047 -5.825 -8.228 347 2HG1 VAL 43 2HG1 VAL 43 6.517 -4.872 -8.546 348 3HG1 VAL 43 3HG1 VAL 43 5.078 -4.086 -7.854 349 1HG2 VAL 43 1HG2 VAL 43 5.715 -4.226 -11.930 350 2HG2 VAL 43 2HG2 VAL 43 6.911 -4.062 -10.621 351 3HG2 VAL 43 3HG2 VAL 43 6.339 -5.676 -11.109 352 H MET 44 H MET 44 4.238 -6.560 -12.633 353 HA MET 44 HA MET 44 4.536 -9.190 -11.453 354 1HB MET 44 1HB MET 44 3.057 -8.517 -13.557 355 2HB MET 44 2HB MET 44 4.576 -8.523 -14.430 356 1HG MET 44 1HG MET 44 4.850 -10.921 -13.222 357 2HG MET 44 2HG MET 44 3.101 -10.833 -13.172 358 1HE MET 44 1HE MET 44 2.273 -12.589 -14.948 359 2HE MET 44 2HE MET 44 1.564 -10.957 -15.005 360 3HE MET 44 3HE MET 44 1.986 -11.797 -16.517 361 H GLY 45 H GLY 45 6.513 -10.169 -11.231 362 1HA GLY 45 1HA GLY 45 8.607 -10.545 -12.626 363 2HA GLY 45 2HA GLY 45 8.816 -8.812 -12.480 364 HA PRO 46 HA PRO 46 10.463 -11.032 -8.738 365 1HB PRO 46 1HB PRO 46 13.112 -11.308 -9.350 366 2HB PRO 46 2HB PRO 46 11.946 -12.603 -9.533 367 1HG PRO 46 1HG PRO 46 13.192 -10.923 -11.622 368 2HG PRO 46 2HG PRO 46 12.376 -12.464 -11.795 369 1HD PRO 46 1HD PRO 46 11.318 -9.879 -12.447 370 2HD PRO 46 2HD PRO 46 10.463 -11.407 -12.510 371 H ILE 47 H ILE 47 9.803 -9.029 -7.831 372 HA ILE 47 HA ILE 47 12.135 -7.260 -7.599 373 HB ILE 47 HB ILE 47 10.358 -6.394 -9.141 374 1HG1 ILE 47 1HG1 ILE 47 10.383 -4.426 -6.950 375 2HG1 ILE 47 2HG1 ILE 47 11.958 -5.099 -7.316 376 1HG2 ILE 47 1HG2 ILE 47 8.226 -5.950 -8.500 377 2HG2 ILE 47 2HG2 ILE 47 8.543 -7.330 -7.422 378 3HG2 ILE 47 3HG2 ILE 47 8.670 -5.667 -6.799 379 1HD1 ILE 47 1HD1 ILE 47 10.068 -3.950 -9.420 380 2HD1 ILE 47 2HD1 ILE 47 11.414 -3.053 -8.676 381 3HD1 ILE 47 3HD1 ILE 47 11.746 -4.485 -9.679 382 H ARG 48 H ARG 48 12.821 -7.045 -5.539 383 HA ARG 48 HA ARG 48 10.810 -7.482 -3.484 384 1HB ARG 48 1HB ARG 48 12.682 -8.539 -2.098 385 2HB ARG 48 2HB ARG 48 12.167 -9.488 -3.479 386 1HG ARG 48 1HG ARG 48 14.457 -7.524 -3.787 387 2HG ARG 48 2HG ARG 48 14.751 -9.083 -3.041 388 1HD ARG 48 1HD ARG 48 13.212 -9.682 -5.345 389 2HD ARG 48 2HD ARG 48 14.326 -8.437 -5.874 390 HE ARG 48 HE ARG 48 15.029 -11.149 -4.957 391 1HH1 ARG 48 1HH1 ARG 48 16.191 -7.910 -5.691 392 2HH1 ARG 48 2HH1 ARG 48 17.834 -8.411 -5.910 393 1HH2 ARG 48 1HH2 ARG 48 17.197 -11.811 -5.245 394 2HH2 ARG 48 2HH2 ARG 48 18.411 -10.645 -5.655 395 H GLU 49 H GLU 49 11.473 -6.470 -1.314 396 HA GLU 49 HA GLU 49 11.837 -3.881 -1.422 397 1HB GLU 49 1HB GLU 49 13.208 -4.304 0.882 398 2HB GLU 49 2HB GLU 49 11.473 -4.507 0.750 399 1HG GLU 49 1HG GLU 49 11.600 -6.772 1.013 400 2HG GLU 49 2HG GLU 49 12.931 -6.919 -0.117 401 H GLY 50 H GLY 50 13.469 -2.321 -1.639 402 1HA GLY 50 1HA GLY 50 15.826 -1.800 -1.438 403 2HA GLY 50 2HA GLY 50 16.192 -3.367 -2.131 404 H ASP 51 H ASP 51 13.726 -3.004 -4.007 405 HA ASP 51 HA ASP 51 15.226 -1.957 -6.131 406 1HB ASP 51 1HB ASP 51 12.767 -3.401 -5.736 407 2HB ASP 51 2HB ASP 51 12.388 -2.001 -6.719 408 H ILE 52 H ILE 52 14.078 -0.185 -7.639 409 HA ILE 52 HA ILE 52 13.341 2.031 -5.874 410 HB ILE 52 HB ILE 52 14.206 2.248 -8.744 411 1HG1 ILE 52 1HG1 ILE 52 16.001 2.079 -6.306 412 2HG1 ILE 52 2HG1 ILE 52 15.921 0.925 -7.622 413 1HG2 ILE 52 1HG2 ILE 52 13.951 4.109 -6.401 414 2HG2 ILE 52 2HG2 ILE 52 15.107 4.460 -7.708 415 3HG2 ILE 52 3HG2 ILE 52 13.372 4.297 -8.074 416 1HD1 ILE 52 1HD1 ILE 52 16.370 3.165 -9.083 417 2HD1 ILE 52 2HD1 ILE 52 17.146 3.659 -7.559 418 3HD1 ILE 52 3HD1 ILE 52 17.691 2.187 -8.399 419 H LEU 53 H LEU 53 11.516 3.362 -6.362 420 HA LEU 53 HA LEU 53 9.731 2.307 -8.417 421 1HB LEU 53 1HB LEU 53 8.503 3.009 -5.808 422 2HB LEU 53 2HB LEU 53 7.978 1.876 -7.038 423 HG LEU 53 HG LEU 53 8.582 0.700 -5.012 424 1HD1 LEU 53 1HD1 LEU 53 9.311 -1.006 -6.228 425 2HD1 LEU 53 2HD1 LEU 53 9.577 0.127 -7.575 426 3HD1 LEU 53 3HD1 LEU 53 10.903 -0.240 -6.446 427 1HD2 LEU 53 1HD2 LEU 53 11.473 1.208 -5.122 428 2HD2 LEU 53 2HD2 LEU 53 10.500 2.623 -4.655 429 3HD2 LEU 53 3HD2 LEU 53 10.369 1.109 -3.729 430 H MET 54 H MET 54 7.919 3.888 -8.885 431 HA MET 54 HA MET 54 8.925 6.585 -8.396 432 1HB MET 54 1HB MET 54 7.611 5.262 -10.812 433 2HB MET 54 2HB MET 54 7.550 7.004 -10.630 434 1HG MET 54 1HG MET 54 10.265 5.899 -10.191 435 2HG MET 54 2HG MET 54 9.645 5.562 -11.795 436 1HE MET 54 1HE MET 54 11.587 8.828 -10.044 437 2HE MET 54 2HE MET 54 9.973 9.413 -9.575 438 3HE MET 54 3HE MET 54 10.491 7.771 -9.123 439 H LEU 55 H LEU 55 7.651 7.593 -6.898 440 HA LEU 55 HA LEU 55 4.792 6.950 -6.936 441 1HB LEU 55 1HB LEU 55 6.343 8.301 -4.733 442 2HB LEU 55 2HB LEU 55 4.721 7.642 -4.660 443 HG LEU 55 HG LEU 55 6.058 5.395 -5.321 444 1HD1 LEU 55 1HD1 LEU 55 8.188 5.235 -4.274 445 2HD1 LEU 55 2HD1 LEU 55 8.228 6.671 -5.327 446 3HD1 LEU 55 3HD1 LEU 55 8.039 6.862 -3.567 447 1HD2 LEU 55 1HD2 LEU 55 5.167 4.747 -3.395 448 2HD2 LEU 55 2HD2 LEU 55 6.306 5.751 -2.468 449 3HD2 LEU 55 3HD2 LEU 55 4.778 6.450 -3.054 450 H LEU 56 H LEU 56 3.689 8.326 -8.235 451 HA LEU 56 HA LEU 56 4.546 11.130 -8.212 452 1HB LEU 56 1HB LEU 56 3.655 11.357 -10.358 453 2HB LEU 56 2HB LEU 56 4.553 9.852 -10.367 454 HG LEU 56 HG LEU 56 2.485 9.626 -11.613 455 1HD1 LEU 56 1HD1 LEU 56 1.845 7.555 -10.808 456 2HD1 LEU 56 2HD1 LEU 56 3.453 7.765 -10.073 457 3HD1 LEU 56 3HD1 LEU 56 1.987 8.050 -9.105 458 1HD2 LEU 56 1HD2 LEU 56 0.470 10.371 -10.979 459 2HD2 LEU 56 2HD2 LEU 56 0.661 9.779 -9.311 460 3HD2 LEU 56 3HD2 LEU 56 1.377 11.336 -9.790 461 H ASP 57 H ASP 57 3.008 12.800 -7.855 462 HA ASP 57 HA ASP 57 1.261 12.393 -5.864 463 1HB ASP 57 1HB ASP 57 1.665 14.458 -7.960 464 2HB ASP 57 2HB ASP 57 0.041 14.448 -7.302 465 H THR 58 H THR 58 -0.677 11.248 -5.742 466 HA THR 58 HA THR 58 -2.009 10.567 -8.254 467 HB THR 58 HB THR 58 -2.614 9.507 -5.460 468 HG1 THR 58 HG1 THR 58 -0.798 8.137 -5.807 469 1HG2 THR 58 1HG2 THR 58 -4.121 8.615 -7.138 470 2HG2 THR 58 2HG2 THR 58 -2.800 8.437 -8.317 471 3HG2 THR 58 3HG2 THR 58 -2.872 7.370 -6.894 472 H ILE 59 H ILE 59 -4.015 11.242 -8.839 473 HA ILE 59 HA ILE 59 -5.208 13.217 -7.032 474 HB ILE 59 HB ILE 59 -5.422 12.851 -10.021 475 1HG1 ILE 59 1HG1 ILE 59 -4.405 15.366 -8.828 476 2HG1 ILE 59 2HG1 ILE 59 -3.365 13.969 -8.636 477 1HG2 ILE 59 1HG2 ILE 59 -7.150 14.254 -8.129 478 2HG2 ILE 59 2HG2 ILE 59 -6.497 15.319 -9.396 479 3HG2 ILE 59 3HG2 ILE 59 -7.405 13.855 -9.845 480 1HD1 ILE 59 1HD1 ILE 59 -4.047 13.651 -11.259 481 2HD1 ILE 59 2HD1 ILE 59 -4.157 15.422 -11.123 482 3HD1 ILE 59 3HD1 ILE 59 -2.633 14.592 -10.726 483 H ARG 60 H ARG 60 -7.191 12.863 -6.137 484 HA ARG 60 HA ARG 60 -8.224 10.300 -6.233 485 1HB ARG 60 1HB ARG 60 -10.142 11.287 -4.942 486 2HB ARG 60 2HB ARG 60 -8.587 11.785 -4.306 487 1HG ARG 60 1HG ARG 60 -9.678 13.574 -6.426 488 2HG ARG 60 2HG ARG 60 -10.642 13.514 -4.963 489 1HD ARG 60 1HD ARG 60 -8.038 13.707 -3.960 490 2HD ARG 60 2HD ARG 60 -7.963 14.702 -5.400 491 HE ARG 60 HE ARG 60 -10.329 15.503 -4.190 492 1HH1 ARG 60 1HH1 ARG 60 -6.985 15.262 -3.122 493 2HH1 ARG 60 2HH1 ARG 60 -7.120 16.562 -1.986 494 1HH2 ARG 60 1HH2 ARG 60 -10.508 17.219 -2.691 495 2HH2 ARG 60 2HH2 ARG 60 -9.138 17.683 -1.739 496 H GLU 61 H GLU 61 -10.266 9.507 -7.140 497 HA GLU 61 HA GLU 61 -10.973 10.988 -9.535 498 1HB GLU 61 1HB GLU 61 -10.207 8.453 -9.441 499 2HB GLU 61 2HB GLU 61 -11.867 8.155 -8.965 500 1HG GLU 61 1HG GLU 61 -12.668 9.355 -11.015 501 2HG GLU 61 2HG GLU 61 -11.006 9.641 -11.493 502 H ALA 62 H ALA 62 -13.317 11.052 -10.176 503 HA ALA 62 HA ALA 62 -14.888 11.841 -7.931 504 1HB ALA 62 1HB ALA 62 -15.806 13.086 -9.557 505 2HB ALA 62 2HB ALA 62 -14.828 12.229 -10.772 506 3HB ALA 62 3HB ALA 62 -16.438 11.612 -10.330 507 H LYS 63 H LYS 63 -15.991 10.474 -6.629 508 HA LYS 63 HA LYS 63 -16.476 7.784 -7.537 509 1HB LYS 63 1HB LYS 63 -16.937 9.204 -4.901 510 2HB LYS 63 2HB LYS 63 -17.369 7.530 -5.186 511 1HG LYS 63 1HG LYS 63 -14.561 8.685 -5.535 512 2HG LYS 63 2HG LYS 63 -15.102 7.785 -4.132 513 1HD LYS 63 1HD LYS 63 -14.663 6.789 -6.961 514 2HD LYS 63 2HD LYS 63 -14.019 6.146 -5.464 515 1HE LYS 63 1HE LYS 63 -16.420 5.525 -4.807 516 2HE LYS 63 2HE LYS 63 -16.911 5.977 -6.427 517 1HZ LYS 63 1HZ LYS 63 -14.765 4.341 -6.770 518 2HZ LYS 63 2HZ LYS 63 -15.613 3.632 -5.568 519 3HZ LYS 63 3HZ LYS 63 -16.333 3.944 -7.000 520 H GLU 64 H GLU 64 -18.450 6.866 -8.061 521 HA GLU 64 HA GLU 64 -20.584 8.818 -8.368 522 1HB GLU 64 1HB GLU 64 -21.409 7.496 -10.181 523 2HB GLU 64 2HB GLU 64 -19.671 7.558 -10.396 524 1HG GLU 64 1HG GLU 64 -19.421 5.326 -9.360 525 2HG GLU 64 2HG GLU 64 -21.136 5.268 -9.001 526 H ILE 65 H ILE 65 -22.784 8.252 -7.754 527 HA ILE 65 HA ILE 65 -22.805 6.475 -5.470 528 HB ILE 65 HB ILE 65 -24.782 8.450 -6.601 529 1HG1 ILE 65 1HG1 ILE 65 -23.398 8.542 -3.921 530 2HG1 ILE 65 2HG1 ILE 65 -22.626 9.169 -5.364 531 1HG2 ILE 65 1HG2 ILE 65 -26.358 7.181 -5.630 532 2HG2 ILE 65 2HG2 ILE 65 -25.177 6.263 -4.665 533 3HG2 ILE 65 3HG2 ILE 65 -25.725 7.864 -4.113 534 1HD1 ILE 65 1HD1 ILE 65 -24.894 10.271 -3.811 535 2HD1 ILE 65 2HD1 ILE 65 -23.740 11.101 -4.883 536 3HD1 ILE 65 3HD1 ILE 65 -25.160 10.276 -5.571 537 H ARG 66 H ARG 66 -24.193 4.654 -5.243 538 HA ARG 66 HA ARG 66 -24.761 3.465 -7.801 539 1HB ARG 66 1HB ARG 66 -24.497 2.441 -4.959 540 2HB ARG 66 2HB ARG 66 -25.347 1.458 -6.134 541 1HG ARG 66 1HG ARG 66 -23.178 0.665 -6.442 542 2HG ARG 66 2HG ARG 66 -23.210 1.932 -7.652 543 1HD ARG 66 1HD ARG 66 -22.352 3.467 -5.642 544 2HD ARG 66 2HD ARG 66 -21.861 1.937 -4.941 545 HE ARG 66 HE ARG 66 -20.655 3.259 -7.248 546 1HH1 ARG 66 1HH1 ARG 66 -21.180 0.144 -5.698 547 2HH1 ARG 66 2HH1 ARG 66 -19.803 -0.601 -6.440 548 1HH2 ARG 66 1HH2 ARG 66 -18.839 2.277 -8.228 549 2HH2 ARG 66 2HH2 ARG 66 -18.463 0.621 -7.889 550 H THR 67 H THR 67 -26.821 3.518 -8.647 551 HA THR 67 HA THR 67 -29.007 4.220 -6.835 552 HB THR 67 HB THR 67 -30.164 4.709 -9.036 553 HG1 THR 67 HG1 THR 67 -29.121 3.433 -10.556 554 1HG2 THR 67 1HG2 THR 67 -27.542 6.022 -9.519 555 2HG2 THR 67 2HG2 THR 67 -29.138 6.760 -9.238 556 3HG2 THR 67 3HG2 THR 67 -28.146 6.231 -7.858 557 HA PRO 68 HA PRO 68 -30.645 0.254 -6.932 558 1HB PRO 68 1HB PRO 68 -33.238 0.763 -6.233 559 2HB PRO 68 2HB PRO 68 -31.931 0.672 -5.068 560 1HG PRO 68 1HG PRO 68 -33.329 3.063 -6.104 561 2HG PRO 68 2HG PRO 68 -32.343 2.905 -4.664 562 1HD PRO 68 1HD PRO 68 -31.572 4.115 -7.148 563 2HD PRO 68 2HD PRO 68 -30.551 3.853 -5.748 Start of MODEL 15 1 HA MET 1 HA MET 1 11.556 13.063 -11.538 2 1HB MET 1 1HB MET 1 11.033 14.952 -13.740 3 2HB MET 1 2HB MET 1 11.253 15.815 -12.231 4 1HG MET 1 1HG MET 1 13.471 15.635 -12.992 5 2HG MET 1 2HG MET 1 13.362 14.254 -11.918 6 1HE MET 1 1HE MET 1 13.561 15.791 -15.082 7 2HE MET 1 2HE MET 1 14.754 14.679 -15.796 8 3HE MET 1 3HE MET 1 13.057 14.627 -16.331 9 H ASP 2 H ASP 2 8.584 15.006 -12.312 10 HA ASP 2 HA ASP 2 8.359 15.531 -9.465 11 1HB ASP 2 1HB ASP 2 7.462 16.906 -11.974 12 2HB ASP 2 2HB ASP 2 6.361 17.013 -10.614 13 H ASP 3 H ASP 3 6.941 13.908 -12.280 14 HA ASP 3 HA ASP 3 4.347 13.639 -11.461 15 1HB ASP 3 1HB ASP 3 4.592 11.348 -12.776 16 2HB ASP 3 2HB ASP 3 4.714 12.873 -13.631 17 H ALA 4 H ALA 4 7.108 11.270 -11.126 18 HA ALA 4 HA ALA 4 5.717 10.161 -8.784 19 1HB ALA 4 1HB ALA 4 6.588 8.011 -9.374 20 2HB ALA 4 2HB ALA 4 5.908 8.701 -10.867 21 3HB ALA 4 3HB ALA 4 7.668 8.710 -10.605 22 H THR 5 H THR 5 6.995 9.674 -6.927 23 HA THR 5 HA THR 5 9.504 11.186 -6.876 24 HB THR 5 HB THR 5 7.221 10.845 -5.120 25 HG1 THR 5 HG1 THR 5 8.179 12.871 -5.246 26 1HG2 THR 5 1HG2 THR 5 9.936 10.301 -3.818 27 2HG2 THR 5 2HG2 THR 5 8.356 10.412 -3.006 28 3HG2 THR 5 3HG2 THR 5 8.714 9.033 -4.073 29 HA PRO 6 HA PRO 6 11.870 7.617 -6.600 30 1HB PRO 6 1HB PRO 6 14.120 8.570 -5.376 31 2HB PRO 6 2HB PRO 6 13.798 8.778 -7.086 32 1HG PRO 6 1HG PRO 6 13.600 10.766 -4.907 33 2HG PRO 6 2HG PRO 6 13.701 11.038 -6.635 34 1HD PRO 6 1HD PRO 6 11.349 11.221 -5.004 35 2HD PRO 6 2HD PRO 6 11.430 11.379 -6.747 36 H ALA 7 H ALA 7 11.842 5.780 -5.454 37 HA ALA 7 HA ALA 7 12.200 6.022 -2.602 38 1HB ALA 7 1HB ALA 7 9.810 6.480 -2.797 39 2HB ALA 7 2HB ALA 7 9.588 5.045 -3.826 40 3HB ALA 7 3HB ALA 7 10.046 4.852 -2.117 41 H GLU 8 H GLU 8 12.410 3.829 -1.590 42 HA GLU 8 HA GLU 8 13.160 1.886 -3.634 43 1HB GLU 8 1HB GLU 8 14.516 2.485 -0.970 44 2HB GLU 8 2HB GLU 8 14.904 1.094 -1.963 45 1HG GLU 8 1HG GLU 8 15.498 2.611 -3.862 46 2HG GLU 8 2HG GLU 8 15.104 4.004 -2.874 47 H VAL 9 H VAL 9 12.318 -0.181 -3.421 48 HA VAL 9 HA VAL 9 10.110 -0.613 -1.854 49 HB VAL 9 HB VAL 9 12.025 -2.747 -2.797 50 1HG1 VAL 9 1HG1 VAL 9 9.103 -3.073 -3.098 51 2HG1 VAL 9 2HG1 VAL 9 10.338 -4.224 -2.534 52 3HG1 VAL 9 3HG1 VAL 9 9.684 -3.002 -1.417 53 1HG2 VAL 9 1HG2 VAL 9 10.425 -2.596 -4.894 54 2HG2 VAL 9 2HG2 VAL 9 10.247 -0.907 -4.362 55 3HG2 VAL 9 3HG2 VAL 9 11.859 -1.550 -4.759 56 H ILE 10 H ILE 10 9.809 -0.868 0.294 57 HA ILE 10 HA ILE 10 12.170 -1.600 1.869 58 HB ILE 10 HB ILE 10 11.010 -0.556 3.743 59 1HG1 ILE 10 1HG1 ILE 10 8.890 0.374 1.796 60 2HG1 ILE 10 2HG1 ILE 10 8.687 -1.046 2.803 61 1HG2 ILE 10 1HG2 ILE 10 11.489 1.651 3.160 62 2HG2 ILE 10 2HG2 ILE 10 12.500 0.690 2.054 63 3HG2 ILE 10 3HG2 ILE 10 10.985 1.419 1.468 64 1HD1 ILE 10 1HD1 ILE 10 7.732 1.067 3.810 65 2HD1 ILE 10 2HD1 ILE 10 8.942 0.269 4.843 66 3HD1 ILE 10 3HD1 ILE 10 9.388 1.713 3.903 67 H GLU 11 H GLU 11 8.716 -2.340 1.213 68 HA GLU 11 HA GLU 11 9.214 -4.904 2.493 69 1HB GLU 11 1HB GLU 11 7.885 -3.893 4.148 70 2HB GLU 11 2HB GLU 11 6.943 -2.977 2.989 71 1HG GLU 11 1HG GLU 11 5.576 -4.807 3.901 72 2HG GLU 11 2HG GLU 11 5.858 -5.080 2.194 73 H VAL 12 H VAL 12 8.153 -6.712 1.503 74 HA VAL 12 HA VAL 12 6.785 -6.050 -1.012 75 HB VAL 12 HB VAL 12 8.819 -6.779 -1.786 76 1HG1 VAL 12 1HG1 VAL 12 9.668 -7.348 0.531 77 2HG1 VAL 12 2HG1 VAL 12 8.982 -8.973 0.299 78 3HG1 VAL 12 3HG1 VAL 12 10.267 -8.387 -0.784 79 1HG2 VAL 12 1HG2 VAL 12 8.553 -9.184 -2.495 80 2HG2 VAL 12 2HG2 VAL 12 7.106 -9.261 -1.462 81 3HG2 VAL 12 3HG2 VAL 12 7.155 -8.139 -2.843 82 H LEU 13 H LEU 13 4.867 -7.118 -1.381 83 HA LEU 13 HA LEU 13 4.076 -8.987 0.735 84 1HB LEU 13 1HB LEU 13 2.156 -7.633 -1.119 85 2HB LEU 13 2HB LEU 13 1.890 -8.271 0.492 86 HG LEU 13 HG LEU 13 3.830 -6.154 0.646 87 1HD1 LEU 13 1HD1 LEU 13 2.562 -5.574 -1.554 88 2HD1 LEU 13 2HD1 LEU 13 1.238 -5.111 -0.457 89 3HD1 LEU 13 3HD1 LEU 13 2.824 -4.314 -0.325 90 1HD2 LEU 13 1HD2 LEU 13 2.767 -6.282 2.610 91 2HD2 LEU 13 2HD2 LEU 13 1.551 -5.225 1.855 92 3HD2 LEU 13 3HD2 LEU 13 1.302 -6.987 1.886 93 H LYS 14 H LYS 14 4.109 -11.099 0.210 94 HA LYS 14 HA LYS 14 3.416 -11.786 -2.552 95 1HB LYS 14 1HB LYS 14 5.999 -11.831 -1.737 96 2HB LYS 14 2HB LYS 14 5.507 -13.436 -1.238 97 1HG LYS 14 1HG LYS 14 6.345 -13.537 -3.538 98 2HG LYS 14 2HG LYS 14 4.627 -13.881 -3.541 99 1HD LYS 14 1HD LYS 14 4.195 -12.093 -4.872 100 2HD LYS 14 2HD LYS 14 5.043 -11.007 -3.789 101 1HE LYS 14 1HE LYS 14 6.107 -11.006 -6.025 102 2HE LYS 14 2HE LYS 14 7.216 -11.630 -4.821 103 1HZ LYS 14 1HZ LYS 14 5.557 -13.282 -6.597 104 2HZ LYS 14 2HZ LYS 14 7.155 -13.005 -6.780 105 3HZ LYS 14 3HZ LYS 14 6.616 -13.851 -5.492 106 H ARG 15 H ARG 15 1.691 -13.116 -2.582 107 HA ARG 15 HA ARG 15 0.993 -14.376 -0.094 108 1HB ARG 15 1HB ARG 15 -0.433 -13.733 -2.676 109 2HB ARG 15 2HB ARG 15 -1.059 -15.063 -1.722 110 1HG ARG 15 1HG ARG 15 -0.511 -12.914 0.105 111 2HG ARG 15 2HG ARG 15 -1.354 -12.216 -1.264 112 1HD ARG 15 1HD ARG 15 -3.157 -13.932 -1.043 113 2HD ARG 15 2HD ARG 15 -2.310 -14.660 0.307 114 HE ARG 15 HE ARG 15 -3.825 -12.139 0.340 115 1HH1 ARG 15 1HH1 ARG 15 -1.422 -14.115 1.986 116 2HH1 ARG 15 2HH1 ARG 15 -1.666 -13.357 3.524 117 1HH2 ARG 15 1HH2 ARG 15 -4.146 -11.138 2.370 118 2HH2 ARG 15 2HH2 ARG 15 -3.226 -11.652 3.744 119 H THR 16 H THR 16 1.725 -16.443 0.293 120 HA THR 16 HA THR 16 2.390 -18.539 -0.036 121 HB THR 16 HB THR 16 0.455 -18.227 -2.386 122 HG1 THR 16 HG1 THR 16 -0.871 -19.326 -0.752 123 1HG2 THR 16 1HG2 THR 16 0.302 -20.708 -2.339 124 2HG2 THR 16 2HG2 THR 16 1.959 -20.212 -2.759 125 3HG2 THR 16 3HG2 THR 16 1.589 -20.774 -1.111 126 H GLY 17 H GLY 17 3.800 -19.982 -1.289 127 1HA GLY 17 1HA GLY 17 5.759 -18.406 -2.719 128 2HA GLY 17 2HA GLY 17 5.875 -20.086 -2.236 129 H MET 18 H MET 18 3.750 -18.060 -4.393 130 HA MET 18 HA MET 18 4.259 -20.046 -6.461 131 1HB MET 18 1HB MET 18 1.879 -19.977 -5.154 132 2HB MET 18 2HB MET 18 1.561 -18.678 -6.286 133 1HG MET 18 1HG MET 18 1.449 -20.100 -8.099 134 2HG MET 18 2HG MET 18 2.763 -21.108 -7.525 135 1HE MET 18 1HE MET 18 -0.747 -22.200 -8.485 136 2HE MET 18 2HE MET 18 0.974 -22.386 -8.899 137 3HE MET 18 3HE MET 18 0.134 -23.665 -7.989 138 H THR 19 H THR 19 4.697 -19.198 -8.495 139 HA THR 19 HA THR 19 4.798 -16.282 -8.633 140 HB THR 19 HB THR 19 6.034 -18.562 -10.258 141 HG1 THR 19 HG1 THR 19 6.937 -18.053 -8.136 142 1HG2 THR 19 1HG2 THR 19 7.444 -16.679 -11.236 143 2HG2 THR 19 2HG2 THR 19 5.754 -16.665 -11.796 144 3HG2 THR 19 3HG2 THR 19 6.284 -15.523 -10.538 145 H GLY 20 H GLY 20 2.284 -16.495 -8.629 146 1HA GLY 20 1HA GLY 20 0.775 -17.479 -10.649 147 2HA GLY 20 2HA GLY 20 0.462 -15.952 -9.848 148 H GLU 21 H GLU 21 1.515 -13.953 -10.725 149 HA GLU 21 HA GLU 21 2.788 -14.088 -13.226 150 1HB GLU 21 1HB GLU 21 0.302 -14.544 -13.778 151 2HB GLU 21 2HB GLU 21 -0.001 -12.879 -13.322 152 1HG GLU 21 1HG GLU 21 0.377 -13.166 -15.792 153 2HG GLU 21 2HG GLU 21 1.506 -12.047 -15.053 154 H VAL 22 H VAL 22 0.515 -11.944 -11.352 155 HA VAL 22 HA VAL 22 2.624 -9.898 -11.444 156 HB VAL 22 HB VAL 22 -0.381 -9.730 -11.522 157 1HG1 VAL 22 1HG1 VAL 22 -0.284 -7.933 -10.183 158 2HG1 VAL 22 2HG1 VAL 22 1.493 -7.862 -10.264 159 3HG1 VAL 22 3HG1 VAL 22 0.513 -7.108 -11.544 160 1HG2 VAL 22 1HG2 VAL 22 -0.109 -9.164 -13.669 161 2HG2 VAL 22 2HG2 VAL 22 1.153 -7.974 -13.273 162 3HG2 VAL 22 3HG2 VAL 22 1.584 -9.686 -13.501 163 H MET 23 H MET 23 3.361 -9.056 -9.518 164 HA MET 23 HA MET 23 1.977 -10.046 -7.144 165 1HB MET 23 1HB MET 23 4.104 -10.474 -6.114 166 2HB MET 23 2HB MET 23 4.320 -11.043 -7.757 167 1HG MET 23 1HG MET 23 4.976 -8.278 -7.847 168 2HG MET 23 2HG MET 23 5.700 -8.866 -6.364 169 1HE MET 23 1HE MET 23 7.743 -9.884 -6.182 170 2HE MET 23 2HE MET 23 8.858 -10.250 -7.521 171 3HE MET 23 3HE MET 23 8.285 -8.584 -7.270 172 H GLN 24 H GLN 24 2.308 -8.661 -5.157 173 HA GLN 24 HA GLN 24 2.527 -5.879 -6.002 174 1HB GLN 24 1HB GLN 24 0.978 -5.308 -4.233 175 2HB GLN 24 2HB GLN 24 0.287 -6.644 -5.132 176 1HG GLN 24 1HG GLN 24 1.875 -7.865 -3.122 177 2HG GLN 24 2HG GLN 24 1.083 -6.527 -2.315 178 1HE2 GLN 24 1HE2 GLN 24 -0.825 -6.906 -1.504 179 2HE2 GLN 24 2HE2 GLN 24 -1.966 -8.107 -2.010 180 H VAL 25 H VAL 25 3.932 -4.478 -4.906 181 HA VAL 25 HA VAL 25 5.439 -5.691 -2.696 182 HB VAL 25 HB VAL 25 6.501 -5.466 -5.103 183 1HG1 VAL 25 1HG1 VAL 25 7.300 -2.780 -3.979 184 2HG1 VAL 25 2HG1 VAL 25 7.523 -3.424 -5.624 185 3HG1 VAL 25 3HG1 VAL 25 5.901 -2.950 -5.066 186 1HG2 VAL 25 1HG2 VAL 25 7.861 -6.387 -3.471 187 2HG2 VAL 25 2HG2 VAL 25 8.734 -4.883 -3.852 188 3HG2 VAL 25 3HG2 VAL 25 7.715 -4.975 -2.396 189 H LYS 26 H LYS 26 6.477 -4.016 -1.259 190 HA LYS 26 HA LYS 26 4.769 -1.625 -1.188 191 1HB LYS 26 1HB LYS 26 4.565 -3.469 0.641 192 2HB LYS 26 2HB LYS 26 6.082 -2.831 1.241 193 1HG LYS 26 1HG LYS 26 4.806 -0.479 0.972 194 2HG LYS 26 2HG LYS 26 3.381 -1.491 1.098 195 1HD LYS 26 1HD LYS 26 5.677 -1.446 3.115 196 2HD LYS 26 2HD LYS 26 4.143 -0.626 3.325 197 1HE LYS 26 1HE LYS 26 2.923 -2.731 3.374 198 2HE LYS 26 2HE LYS 26 4.330 -3.633 2.847 199 1HZ LYS 26 1HZ LYS 26 3.956 -2.284 5.422 200 2HZ LYS 26 2HZ LYS 26 4.174 -3.880 5.151 201 3HZ LYS 26 3HZ LYS 26 5.411 -2.837 4.926 202 H CYS 27 H CYS 27 5.751 0.358 -1.180 203 HA CYS 27 HA CYS 27 8.622 0.395 -0.682 204 1HB CYS 27 1HB CYS 27 8.987 0.525 -2.903 205 2HB CYS 27 2HB CYS 27 7.317 0.911 -3.268 206 HG CYS 27 HG CYS 27 8.932 2.834 -4.096 207 H ARG 28 H ARG 28 9.234 2.237 0.495 208 HA ARG 28 HA ARG 28 7.030 4.016 1.122 209 1HB ARG 28 1HB ARG 28 8.019 2.899 3.076 210 2HB ARG 28 2HB ARG 28 9.633 3.389 2.600 211 1HG ARG 28 1HG ARG 28 8.249 5.823 2.691 212 2HG ARG 28 2HG ARG 28 7.545 4.928 4.023 213 1HD ARG 28 1HD ARG 28 9.456 5.067 5.276 214 2HD ARG 28 2HD ARG 28 10.481 4.630 3.924 215 HE ARG 28 HE ARG 28 9.724 7.200 3.279 216 1HH1 ARG 28 1HH1 ARG 28 11.101 5.765 6.181 217 2HH1 ARG 28 2HH1 ARG 28 11.924 7.212 6.661 218 1HH2 ARG 28 1HH2 ARG 28 10.809 9.109 3.911 219 2HH2 ARG 28 2HH2 ARG 28 11.756 9.127 5.360 220 H ILE 29 H ILE 29 7.263 6.299 0.891 221 HA ILE 29 HA ILE 29 8.884 7.213 -1.134 222 HB ILE 29 HB ILE 29 7.314 8.492 1.061 223 1HG1 ILE 29 1HG1 ILE 29 7.088 8.078 -1.886 224 2HG1 ILE 29 2HG1 ILE 29 5.883 7.893 -0.628 225 1HG2 ILE 29 1HG2 ILE 29 9.367 9.866 0.803 226 2HG2 ILE 29 2HG2 ILE 29 8.977 10.066 -0.922 227 3HG2 ILE 29 3HG2 ILE 29 7.878 10.712 0.321 228 1HD1 ILE 29 1HD1 ILE 29 5.431 9.877 -2.071 229 2HD1 ILE 29 2HD1 ILE 29 5.708 10.344 -0.376 230 3HD1 ILE 29 3HD1 ILE 29 6.996 10.571 -1.584 231 H LEU 30 H LEU 30 10.885 8.271 -1.257 232 HA LEU 30 HA LEU 30 12.497 7.997 1.182 233 1HB LEU 30 1HB LEU 30 13.111 7.645 -1.731 234 2HB LEU 30 2HB LEU 30 14.386 8.090 -0.614 235 HG LEU 30 HG LEU 30 12.731 5.564 -0.643 236 1HD1 LEU 30 1HD1 LEU 30 15.736 5.910 -0.628 237 2HD1 LEU 30 2HD1 LEU 30 14.798 4.434 -0.960 238 3HD1 LEU 30 3HD1 LEU 30 14.763 5.789 -2.113 239 1HD2 LEU 30 1HD2 LEU 30 14.417 6.682 1.597 240 2HD2 LEU 30 2HD2 LEU 30 12.746 6.069 1.651 241 3HD2 LEU 30 3HD2 LEU 30 14.102 4.939 1.417 242 H ASP 31 H ASP 31 10.941 10.188 -0.951 243 HA ASP 31 HA ASP 31 12.116 12.355 0.439 244 1HB ASP 31 1HB ASP 31 12.439 13.239 -2.224 245 2HB ASP 31 2HB ASP 31 13.714 12.913 -1.068 246 H GLY 32 H GLY 32 10.824 14.341 0.060 247 1HA GLY 32 1HA GLY 32 9.159 15.345 -1.496 248 2HA GLY 32 2HA GLY 32 8.318 13.810 -1.421 249 H ARG 33 H ARG 33 7.074 16.255 -0.674 250 HA ARG 33 HA ARG 33 7.279 16.807 2.018 251 1HB ARG 33 1HB ARG 33 5.743 17.706 -0.189 252 2HB ARG 33 2HB ARG 33 4.550 17.163 0.974 253 1HG ARG 33 1HG ARG 33 6.764 18.757 2.164 254 2HG ARG 33 2HG ARG 33 5.785 19.644 1.012 255 1HD ARG 33 1HD ARG 33 3.794 18.411 2.426 256 2HD ARG 33 2HD ARG 33 5.016 18.505 3.679 257 HE ARG 33 HE ARG 33 4.615 21.013 2.189 258 1HH1 ARG 33 1HH1 ARG 33 3.672 19.094 4.984 259 2HH1 ARG 33 2HH1 ARG 33 3.068 20.452 5.873 260 1HH2 ARG 33 1HH2 ARG 33 3.818 22.805 3.361 261 2HH2 ARG 33 2HH2 ARG 33 3.151 22.577 4.944 262 H ASP 34 H ASP 34 5.931 14.084 0.339 263 HA ASP 34 HA ASP 34 4.132 13.465 2.507 264 1HB ASP 34 1HB ASP 34 4.758 12.063 -0.132 265 2HB ASP 34 2HB ASP 34 3.611 11.440 1.038 266 H LYS 35 H LYS 35 7.372 13.336 2.114 267 HA LYS 35 HA LYS 35 8.533 11.034 2.155 268 1HB LYS 35 1HB LYS 35 9.037 13.477 3.395 269 2HB LYS 35 2HB LYS 35 9.166 12.318 4.703 270 1HG LYS 35 1HG LYS 35 10.814 10.999 3.480 271 2HG LYS 35 2HG LYS 35 10.552 11.922 2.014 272 1HD LYS 35 1HD LYS 35 11.563 13.190 4.598 273 2HD LYS 35 2HD LYS 35 12.641 12.542 3.378 274 1HE LYS 35 1HE LYS 35 12.145 14.223 1.833 275 2HE LYS 35 2HE LYS 35 10.516 14.453 2.436 276 1HZ LYS 35 1HZ LYS 35 12.364 16.151 2.965 277 2HZ LYS 35 2HZ LYS 35 11.250 15.788 4.102 278 3HZ LYS 35 3HZ LYS 35 12.741 15.125 4.178 279 H GLY 36 H GLY 36 8.537 9.035 3.124 280 1HA GLY 36 1HA GLY 36 8.108 7.505 4.793 281 2HA GLY 36 2HA GLY 36 7.101 8.667 5.632 282 H ARG 37 H ARG 37 6.007 9.104 2.590 283 HA ARG 37 HA ARG 37 3.662 7.712 3.057 284 1HB ARG 37 1HB ARG 37 4.615 9.647 1.215 285 2HB ARG 37 2HB ARG 37 4.122 8.297 0.211 286 1HG ARG 37 1HG ARG 37 2.000 8.397 1.952 287 2HG ARG 37 2HG ARG 37 2.461 10.087 1.939 288 1HD ARG 37 1HD ARG 37 2.246 10.199 -0.502 289 2HD ARG 37 2HD ARG 37 2.012 8.466 -0.611 290 HE ARG 37 HE ARG 37 -0.235 8.779 -0.068 291 1HH1 ARG 37 1HH1 ARG 37 1.589 11.581 1.031 292 2HH1 ARG 37 2HH1 ARG 37 0.183 12.460 1.530 293 1HH2 ARG 37 1HH2 ARG 37 -2.090 9.939 0.591 294 2HH2 ARG 37 2HH2 ARG 37 -1.924 11.520 1.278 295 H ILE 38 H ILE 38 3.066 5.600 2.599 296 HA ILE 38 HA ILE 38 4.891 4.091 0.860 297 HB ILE 38 HB ILE 38 3.289 3.131 3.234 298 1HG1 ILE 38 1HG1 ILE 38 6.044 2.679 3.608 299 2HG1 ILE 38 2HG1 ILE 38 5.921 4.325 3.018 300 1HG2 ILE 38 1HG2 ILE 38 4.276 1.704 0.985 301 2HG2 ILE 38 2HG2 ILE 38 5.296 1.286 2.382 302 3HG2 ILE 38 3HG2 ILE 38 3.532 1.066 2.471 303 1HD1 ILE 38 1HD1 ILE 38 4.382 3.150 5.379 304 2HD1 ILE 38 2HD1 ILE 38 5.732 4.307 5.468 305 3HD1 ILE 38 3HD1 ILE 38 4.177 4.806 4.758 306 H LEU 39 H LEU 39 4.021 2.907 -0.827 307 HA LEU 39 HA LEU 39 1.100 2.857 -0.992 308 1HB LEU 39 1HB LEU 39 3.023 3.923 -3.051 309 2HB LEU 39 2HB LEU 39 1.417 3.362 -3.472 310 HG LEU 39 HG LEU 39 1.356 5.741 -3.266 311 1HD1 LEU 39 1HD1 LEU 39 0.051 5.394 -0.707 312 2HD1 LEU 39 2HD1 LEU 39 -0.650 5.690 -2.316 313 3HD1 LEU 39 3HD1 LEU 39 -0.295 4.026 -1.792 314 1HD2 LEU 39 1HD2 LEU 39 1.934 6.063 -0.437 315 2HD2 LEU 39 2HD2 LEU 39 3.331 5.414 -1.329 316 3HD2 LEU 39 3HD2 LEU 39 2.577 6.941 -1.846 317 H THR 40 H THR 40 0.247 1.073 -2.201 318 HA THR 40 HA THR 40 2.266 -0.988 -2.800 319 HB THR 40 HB THR 40 -0.375 -1.992 -1.979 320 HG1 THR 40 HG1 THR 40 -0.093 -1.139 0.226 321 1HG2 THR 40 1HG2 THR 40 1.670 -3.393 -1.876 322 2HG2 THR 40 2HG2 THR 40 2.440 -2.213 -0.788 323 3HG2 THR 40 3HG2 THR 40 1.031 -3.148 -0.233 324 H ARG 41 H ARG 41 2.251 -1.786 -4.810 325 HA ARG 41 HA ARG 41 -0.246 -1.613 -6.252 326 1HB ARG 41 1HB ARG 41 2.159 -0.015 -6.803 327 2HB ARG 41 2HB ARG 41 1.747 -1.012 -8.184 328 1HG ARG 41 1HG ARG 41 0.566 1.107 -8.404 329 2HG ARG 41 2HG ARG 41 -0.617 -0.143 -8.075 330 1HD ARG 41 1HD ARG 41 -1.177 0.739 -6.026 331 2HD ARG 41 2HD ARG 41 0.486 1.117 -5.619 332 HE ARG 41 HE ARG 41 -1.441 2.919 -6.824 333 1HH1 ARG 41 1HH1 ARG 41 1.993 2.159 -6.714 334 2HH1 ARG 41 2HH1 ARG 41 2.492 3.763 -7.134 335 1HH2 ARG 41 1HH2 ARG 41 -0.783 5.036 -7.377 336 2HH2 ARG 41 2HH2 ARG 41 0.903 5.411 -7.513 337 H ASN 42 H ASN 42 -0.268 -3.081 -8.196 338 HA ASN 42 HA ASN 42 1.291 -5.409 -7.606 339 1HB ASN 42 1HB ASN 42 -1.204 -4.765 -9.044 340 2HB ASN 42 2HB ASN 42 -0.206 -5.867 -9.972 341 1HD2 ASN 42 1HD2 ASN 42 0.943 -7.545 -8.423 342 2HD2 ASN 42 2HD2 ASN 42 -0.127 -8.418 -7.376 343 H VAL 43 H VAL 43 3.211 -5.869 -8.699 344 HA VAL 43 HA VAL 43 3.542 -4.704 -11.369 345 HB VAL 43 HB VAL 43 4.744 -3.284 -9.861 346 1HG1 VAL 43 1HG1 VAL 43 6.730 -5.121 -8.824 347 2HG1 VAL 43 2HG1 VAL 43 5.681 -3.974 -7.956 348 3HG1 VAL 43 3HG1 VAL 43 5.094 -5.614 -8.323 349 1HG2 VAL 43 1HG2 VAL 43 5.816 -4.352 -12.064 350 2HG2 VAL 43 2HG2 VAL 43 6.705 -3.204 -11.033 351 3HG2 VAL 43 3HG2 VAL 43 7.002 -4.953 -10.879 352 H MET 44 H MET 44 4.776 -5.987 -12.836 353 HA MET 44 HA MET 44 4.930 -8.748 -11.948 354 1HB MET 44 1HB MET 44 3.554 -8.219 -13.976 355 2HB MET 44 2HB MET 44 4.942 -7.467 -14.739 356 1HG MET 44 1HG MET 44 5.479 -10.234 -13.806 357 2HG MET 44 2HG MET 44 4.207 -10.145 -15.008 358 1HE MET 44 1HE MET 44 6.995 -11.623 -15.430 359 2HE MET 44 2HE MET 44 5.697 -11.568 -16.647 360 3HE MET 44 3HE MET 44 7.363 -11.139 -17.103 361 H GLY 45 H GLY 45 6.879 -9.774 -11.687 362 1HA GLY 45 1HA GLY 45 9.086 -10.022 -12.898 363 2HA GLY 45 2HA GLY 45 9.279 -8.308 -12.592 364 HA PRO 46 HA PRO 46 10.491 -10.899 -8.889 365 1HB PRO 46 1HB PRO 46 13.112 -11.515 -9.357 366 2HB PRO 46 2HB PRO 46 11.798 -12.638 -9.645 367 1HG PRO 46 1HG PRO 46 13.380 -11.094 -11.608 368 2HG PRO 46 2HG PRO 46 12.379 -12.508 -11.873 369 1HD PRO 46 1HD PRO 46 11.714 -9.791 -12.507 370 2HD PRO 46 2HD PRO 46 10.670 -11.190 -12.664 371 H ILE 47 H ILE 47 10.023 -8.785 -8.053 372 HA ILE 47 HA ILE 47 12.564 -7.418 -7.525 373 HB ILE 47 HB ILE 47 11.385 -6.188 -9.243 374 1HG1 ILE 47 1HG1 ILE 47 12.617 -5.092 -7.234 375 2HG1 ILE 47 2HG1 ILE 47 11.673 -4.093 -8.321 376 1HG2 ILE 47 1HG2 ILE 47 9.058 -6.794 -7.590 377 2HG2 ILE 47 2HG2 ILE 47 9.148 -5.077 -8.048 378 3HG2 ILE 47 3HG2 ILE 47 9.163 -6.336 -9.307 379 1HD1 ILE 47 1HD1 ILE 47 11.382 -4.249 -5.531 380 2HD1 ILE 47 2HD1 ILE 47 10.243 -3.487 -6.667 381 3HD1 ILE 47 3HD1 ILE 47 10.002 -5.178 -6.166 382 H ARG 48 H ARG 48 12.989 -7.218 -5.390 383 HA ARG 48 HA ARG 48 10.678 -7.336 -3.627 384 1HB ARG 48 1HB ARG 48 12.059 -8.666 -2.017 385 2HB ARG 48 2HB ARG 48 11.841 -9.512 -3.536 386 1HG ARG 48 1HG ARG 48 14.286 -7.776 -2.986 387 2HG ARG 48 2HG ARG 48 14.234 -9.475 -2.557 388 1HD ARG 48 1HD ARG 48 14.724 -10.064 -4.694 389 2HD ARG 48 2HD ARG 48 13.299 -9.228 -5.280 390 HE ARG 48 HE ARG 48 15.238 -7.235 -4.730 391 1HH1 ARG 48 1HH1 ARG 48 14.838 -9.967 -6.912 392 2HH1 ARG 48 2HH1 ARG 48 15.825 -9.280 -8.158 393 1HH2 ARG 48 1HH2 ARG 48 16.539 -6.328 -6.375 394 2HH2 ARG 48 2HH2 ARG 48 16.799 -7.196 -7.851 395 H GLU 49 H GLU 49 11.263 -6.449 -1.339 396 HA GLU 49 HA GLU 49 11.856 -3.929 -1.316 397 1HB GLU 49 1HB GLU 49 13.106 -4.489 1.005 398 2HB GLU 49 2HB GLU 49 11.372 -4.651 0.812 399 1HG GLU 49 1HG GLU 49 11.449 -6.919 1.034 400 2HG GLU 49 2HG GLU 49 12.777 -7.067 -0.100 401 H GLY 50 H GLY 50 13.539 -2.505 -1.672 402 1HA GLY 50 1HA GLY 50 15.937 -2.119 -1.340 403 2HA GLY 50 2HA GLY 50 16.222 -3.703 -2.033 404 H ASP 51 H ASP 51 13.762 -3.081 -3.917 405 HA ASP 51 HA ASP 51 15.418 -2.045 -5.983 406 1HB ASP 51 1HB ASP 51 13.259 -3.772 -5.880 407 2HB ASP 51 2HB ASP 51 12.485 -2.309 -6.455 408 H ILE 52 H ILE 52 14.286 -0.287 -7.518 409 HA ILE 52 HA ILE 52 13.428 1.881 -5.760 410 HB ILE 52 HB ILE 52 14.310 2.060 -8.635 411 1HG1 ILE 52 1HG1 ILE 52 16.067 2.327 -6.179 412 2HG1 ILE 52 2HG1 ILE 52 16.038 0.924 -7.228 413 1HG2 ILE 52 1HG2 ILE 52 13.261 4.058 -8.077 414 2HG2 ILE 52 2HG2 ILE 52 13.868 4.030 -6.403 415 3HG2 ILE 52 3HG2 ILE 52 14.978 4.394 -7.746 416 1HD1 ILE 52 1HD1 ILE 52 17.619 1.979 -8.470 417 2HD1 ILE 52 2HD1 ILE 52 16.318 3.060 -9.026 418 3HD1 ILE 52 3HD1 ILE 52 17.333 3.528 -7.640 419 H LEU 53 H LEU 53 11.481 2.992 -6.053 420 HA LEU 53 HA LEU 53 9.761 2.044 -8.208 421 1HB LEU 53 1HB LEU 53 9.482 1.351 -5.417 422 2HB LEU 53 2HB LEU 53 8.099 2.280 -5.960 423 HG LEU 53 HG LEU 53 8.063 0.601 -7.964 424 1HD1 LEU 53 1HD1 LEU 53 9.641 -0.959 -7.965 425 2HD1 LEU 53 2HD1 LEU 53 10.199 -0.482 -6.343 426 3HD1 LEU 53 3HD1 LEU 53 8.874 -1.658 -6.519 427 1HD2 LEU 53 1HD2 LEU 53 7.144 0.078 -5.142 428 2HD2 LEU 53 2HD2 LEU 53 6.209 0.644 -6.547 429 3HD2 LEU 53 3HD2 LEU 53 6.766 -1.045 -6.470 430 H MET 54 H MET 54 7.823 3.511 -8.479 431 HA MET 54 HA MET 54 8.584 6.197 -7.623 432 1HB MET 54 1HB MET 54 6.822 5.883 -10.023 433 2HB MET 54 2HB MET 54 8.189 6.954 -9.793 434 1HG MET 54 1HG MET 54 8.376 3.953 -10.352 435 2HG MET 54 2HG MET 54 8.659 5.221 -11.528 436 1HE MET 54 1HE MET 54 11.661 7.133 -9.780 437 2HE MET 54 2HE MET 54 10.217 7.305 -10.807 438 3HE MET 54 3HE MET 54 10.051 7.280 -9.034 439 H LEU 55 H LEU 55 6.987 7.535 -6.734 440 HA LEU 55 HA LEU 55 4.429 6.191 -6.255 441 1HB LEU 55 1HB LEU 55 5.636 8.530 -4.778 442 2HB LEU 55 2HB LEU 55 4.211 7.613 -4.331 443 HG LEU 55 HG LEU 55 5.894 6.854 -2.894 444 1HD1 LEU 55 1HD1 LEU 55 4.559 5.074 -4.153 445 2HD1 LEU 55 2HD1 LEU 55 6.054 4.770 -5.070 446 3HD1 LEU 55 3HD1 LEU 55 6.033 4.548 -3.304 447 1HD2 LEU 55 1HD2 LEU 55 8.056 7.109 -3.310 448 2HD2 LEU 55 2HD2 LEU 55 7.980 5.901 -4.616 449 3HD2 LEU 55 3HD2 LEU 55 7.660 7.616 -4.970 450 H LEU 56 H LEU 56 2.884 6.734 -7.699 451 HA LEU 56 HA LEU 56 2.941 9.477 -8.730 452 1HB LEU 56 1HB LEU 56 3.138 7.662 -10.369 453 2HB LEU 56 2HB LEU 56 1.613 6.993 -9.824 454 HG LEU 56 HG LEU 56 1.485 8.294 -11.949 455 1HD1 LEU 56 1HD1 LEU 56 -0.665 8.625 -11.493 456 2HD1 LEU 56 2HD1 LEU 56 -0.293 8.222 -9.799 457 3HD1 LEU 56 3HD1 LEU 56 -0.292 9.921 -10.331 458 1HD2 LEU 56 1HD2 LEU 56 1.532 10.888 -10.525 459 2HD2 LEU 56 2HD2 LEU 56 3.111 10.105 -10.772 460 3HD2 LEU 56 3HD2 LEU 56 2.066 10.460 -12.168 461 H ASP 57 H ASP 57 1.171 10.845 -8.493 462 HA ASP 57 HA ASP 57 -0.344 10.540 -6.255 463 1HB ASP 57 1HB ASP 57 -0.830 12.134 -8.808 464 2HB ASP 57 2HB ASP 57 -1.874 12.288 -7.409 465 H THR 58 H THR 58 -2.154 9.263 -5.815 466 HA THR 58 HA THR 58 -3.330 7.765 -7.995 467 HB THR 58 HB THR 58 -2.648 6.836 -5.693 468 HG1 THR 58 HG1 THR 58 -4.585 5.523 -5.792 469 1HG2 THR 58 1HG2 THR 58 -3.825 7.398 -3.777 470 2HG2 THR 58 2HG2 THR 58 -4.066 8.941 -4.630 471 3HG2 THR 58 3HG2 THR 58 -5.332 7.691 -4.677 472 H ILE 59 H ILE 59 -4.996 8.433 -9.177 473 HA ILE 59 HA ILE 59 -6.430 10.766 -8.408 474 HB ILE 59 HB ILE 59 -6.803 8.799 -10.668 475 1HG1 ILE 59 1HG1 ILE 59 -5.914 11.326 -11.573 476 2HG1 ILE 59 2HG1 ILE 59 -4.907 10.927 -10.195 477 1HG2 ILE 59 1HG2 ILE 59 -8.848 10.182 -9.928 478 2HG2 ILE 59 2HG2 ILE 59 -7.958 11.580 -10.577 479 3HG2 ILE 59 3HG2 ILE 59 -8.375 10.217 -11.644 480 1HD1 ILE 59 1HD1 ILE 59 -5.471 8.829 -12.310 481 2HD1 ILE 59 2HD1 ILE 59 -4.206 10.054 -12.567 482 3HD1 ILE 59 3HD1 ILE 59 -4.096 8.939 -11.184 483 H ARG 60 H ARG 60 -8.260 10.943 -7.218 484 HA ARG 60 HA ARG 60 -9.327 8.530 -6.157 485 1HB ARG 60 1HB ARG 60 -9.045 10.535 -4.724 486 2HB ARG 60 2HB ARG 60 -10.111 11.462 -5.761 487 1HG ARG 60 1HG ARG 60 -11.810 10.803 -4.403 488 2HG ARG 60 2HG ARG 60 -11.665 9.221 -5.142 489 1HD ARG 60 1HD ARG 60 -10.491 8.319 -3.335 490 2HD ARG 60 2HD ARG 60 -9.752 9.849 -2.905 491 HE ARG 60 HE ARG 60 -12.311 8.832 -1.952 492 1HH1 ARG 60 1HH1 ARG 60 -10.496 11.774 -2.611 493 2HH1 ARG 60 2HH1 ARG 60 -11.398 12.734 -1.487 494 1HH2 ARG 60 1HH2 ARG 60 -13.501 10.098 -0.469 495 2HH2 ARG 60 2HH2 ARG 60 -13.118 11.774 -0.260 496 H GLU 61 H GLU 61 -11.218 7.497 -6.806 497 HA GLU 61 HA GLU 61 -12.425 8.405 -9.190 498 1HB GLU 61 1HB GLU 61 -12.093 5.986 -8.552 499 2HB GLU 61 2HB GLU 61 -13.316 6.172 -7.312 500 1HG GLU 61 1HG GLU 61 -14.671 5.403 -9.028 501 2HG GLU 61 2HG GLU 61 -14.771 7.120 -9.361 502 H ALA 62 H ALA 62 -14.596 9.155 -9.524 503 HA ALA 62 HA ALA 62 -15.625 10.606 -7.245 504 1HB ALA 62 1HB ALA 62 -16.666 11.937 -8.814 505 2HB ALA 62 2HB ALA 62 -15.342 11.297 -9.816 506 3HB ALA 62 3HB ALA 62 -16.968 10.581 -9.927 507 H LYS 63 H LYS 63 -17.040 9.679 -5.859 508 HA LYS 63 HA LYS 63 -18.427 7.292 -6.672 509 1HB LYS 63 1HB LYS 63 -17.881 8.736 -4.125 510 2HB LYS 63 2HB LYS 63 -19.344 7.775 -4.187 511 1HG LYS 63 1HG LYS 63 -17.295 6.509 -3.383 512 2HG LYS 63 2HG LYS 63 -18.119 5.761 -4.736 513 1HD LYS 63 1HD LYS 63 -15.985 7.722 -5.472 514 2HD LYS 63 2HD LYS 63 -15.419 6.269 -4.672 515 1HE LYS 63 1HE LYS 63 -17.419 5.580 -6.688 516 2HE LYS 63 2HE LYS 63 -16.155 6.557 -7.409 517 1HZ LYS 63 1HZ LYS 63 -15.834 4.040 -5.943 518 2HZ LYS 63 2HZ LYS 63 -15.443 4.352 -7.498 519 3HZ LYS 63 3HZ LYS 63 -14.569 5.014 -6.288 520 H GLU 64 H GLU 64 -20.398 7.240 -7.601 521 HA GLU 64 HA GLU 64 -21.896 9.718 -7.563 522 1HB GLU 64 1HB GLU 64 -21.298 7.947 -9.611 523 2HB GLU 64 2HB GLU 64 -22.931 7.467 -9.193 524 1HG GLU 64 1HG GLU 64 -22.934 10.323 -9.196 525 2HG GLU 64 2HG GLU 64 -22.033 9.844 -10.620 526 H ILE 65 H ILE 65 -23.912 9.924 -6.584 527 HA ILE 65 HA ILE 65 -24.794 7.562 -5.092 528 HB ILE 65 HB ILE 65 -24.344 9.196 -3.545 529 1HG1 ILE 65 1HG1 ILE 65 -27.237 9.839 -4.156 530 2HG1 ILE 65 2HG1 ILE 65 -26.732 8.301 -3.483 531 1HG2 ILE 65 1HG2 ILE 65 -25.267 11.144 -5.635 532 2HG2 ILE 65 2HG2 ILE 65 -25.236 11.615 -3.919 533 3HG2 ILE 65 3HG2 ILE 65 -23.739 11.087 -4.724 534 1HD1 ILE 65 1HD1 ILE 65 -25.658 10.756 -2.135 535 2HD1 ILE 65 2HD1 ILE 65 -27.394 10.416 -1.933 536 3HD1 ILE 65 3HD1 ILE 65 -26.186 9.210 -1.428 537 H ARG 66 H ARG 66 -26.558 6.497 -5.803 538 HA ARG 66 HA ARG 66 -27.987 7.569 -7.982 539 1HB ARG 66 1HB ARG 66 -28.014 5.028 -6.373 540 2HB ARG 66 2HB ARG 66 -29.486 5.408 -7.245 541 1HG ARG 66 1HG ARG 66 -27.663 5.913 -9.216 542 2HG ARG 66 2HG ARG 66 -26.772 4.706 -8.309 543 1HD ARG 66 1HD ARG 66 -29.624 3.991 -8.726 544 2HD ARG 66 2HD ARG 66 -28.727 4.164 -10.221 545 HE ARG 66 HE ARG 66 -27.045 2.646 -8.592 546 1HH1 ARG 66 1HH1 ARG 66 -30.350 2.320 -9.754 547 2HH1 ARG 66 2HH1 ARG 66 -30.321 0.588 -9.738 548 1HH2 ARG 66 1HH2 ARG 66 -27.005 0.362 -8.569 549 2HH2 ARG 66 2HH2 ARG 66 -28.405 -0.533 -9.059 550 H THR 67 H THR 67 -29.816 8.850 -7.910 551 HA THR 67 HA THR 67 -31.060 9.248 -5.296 552 HB THR 67 HB THR 67 -32.000 11.273 -6.448 553 HG1 THR 67 HG1 THR 67 -32.006 11.067 -8.649 554 1HG2 THR 67 1HG2 THR 67 -29.888 11.911 -5.605 555 2HG2 THR 67 2HG2 THR 67 -29.026 10.699 -6.584 556 3HG2 THR 67 3HG2 THR 67 -29.653 12.179 -7.349 557 HA PRO 68 HA PRO 68 -34.566 7.006 -6.350 558 1HB PRO 68 1HB PRO 68 -36.375 8.040 -4.583 559 2HB PRO 68 2HB PRO 68 -35.191 6.827 -4.142 560 1HG PRO 68 1HG PRO 68 -35.205 9.716 -3.518 561 2HG PRO 68 2HG PRO 68 -34.290 8.432 -2.752 562 1HD PRO 68 1HD PRO 68 -33.299 10.360 -4.630 563 2HD PRO 68 2HD PRO 68 -32.416 9.007 -3.953 Start of MODEL 16 1 HA MET 1 HA MET 1 9.891 13.851 -9.361 2 1HB MET 1 1HB MET 1 10.692 16.213 -7.791 3 2HB MET 1 2HB MET 1 8.966 16.237 -8.095 4 1HG MET 1 1HG MET 1 9.088 13.679 -7.358 5 2HG MET 1 2HG MET 1 10.597 14.160 -6.608 6 1HE MET 1 1HE MET 1 10.559 15.730 -4.147 7 2HE MET 1 2HE MET 1 10.658 16.628 -5.680 8 3HE MET 1 3HE MET 1 9.523 17.152 -4.413 9 H ASP 2 H ASP 2 9.154 13.843 -11.575 10 HA ASP 2 HA ASP 2 7.946 16.341 -12.427 11 1HB ASP 2 1HB ASP 2 9.488 14.418 -13.776 12 2HB ASP 2 2HB ASP 2 7.857 14.062 -14.307 13 H ASP 3 H ASP 3 7.364 13.015 -11.373 14 HA ASP 3 HA ASP 3 4.569 13.548 -11.270 15 1HB ASP 3 1HB ASP 3 5.701 11.978 -13.445 16 2HB ASP 3 2HB ASP 3 4.716 10.936 -12.438 17 H ALA 4 H ALA 4 6.884 10.722 -11.401 18 HA ALA 4 HA ALA 4 5.753 9.734 -8.908 19 1HB ALA 4 1HB ALA 4 6.149 8.313 -11.006 20 2HB ALA 4 2HB ALA 4 7.887 8.455 -10.649 21 3HB ALA 4 3HB ALA 4 6.799 7.669 -9.480 22 H THR 5 H THR 5 7.014 9.381 -7.016 23 HA THR 5 HA THR 5 9.373 11.112 -6.903 24 HB THR 5 HB THR 5 7.096 10.511 -5.190 25 HG1 THR 5 HG1 THR 5 7.996 12.621 -5.649 26 1HG2 THR 5 1HG2 THR 5 8.195 10.178 -3.073 27 2HG2 THR 5 2HG2 THR 5 8.884 8.931 -4.140 28 3HG2 THR 5 3HG2 THR 5 9.807 10.413 -3.790 29 HA PRO 6 HA PRO 6 12.066 7.790 -6.555 30 1HB PRO 6 1HB PRO 6 14.160 8.933 -5.223 31 2HB PRO 6 2HB PRO 6 13.890 9.140 -6.942 32 1HG PRO 6 1HG PRO 6 13.411 11.060 -4.746 33 2HG PRO 6 2HG PRO 6 13.556 11.371 -6.465 34 1HD PRO 6 1HD PRO 6 11.132 11.298 -4.933 35 2HD PRO 6 2HD PRO 6 11.269 11.494 -6.669 36 H ALA 7 H ALA 7 11.320 6.067 -5.462 37 HA ALA 7 HA ALA 7 11.811 6.239 -2.572 38 1HB ALA 7 1HB ALA 7 9.424 4.878 -3.874 39 2HB ALA 7 2HB ALA 7 9.716 5.134 -2.137 40 3HB ALA 7 3HB ALA 7 9.372 6.523 -3.196 41 H GLU 8 H GLU 8 12.115 4.062 -1.560 42 HA GLU 8 HA GLU 8 13.142 2.194 -3.553 43 1HB GLU 8 1HB GLU 8 14.321 3.152 -0.945 44 2HB GLU 8 2HB GLU 8 14.681 1.523 -1.480 45 1HG GLU 8 1HG GLU 8 15.148 2.829 -3.816 46 2HG GLU 8 2HG GLU 8 15.473 4.149 -2.710 47 H VAL 9 H VAL 9 12.479 0.053 -3.380 48 HA VAL 9 HA VAL 9 10.194 -0.541 -1.963 49 HB VAL 9 HB VAL 9 12.265 -2.581 -2.746 50 1HG1 VAL 9 1HG1 VAL 9 10.545 -4.077 -2.855 51 2HG1 VAL 9 2HG1 VAL 9 9.856 -2.971 -1.643 52 3HG1 VAL 9 3HG1 VAL 9 9.355 -2.848 -3.347 53 1HG2 VAL 9 1HG2 VAL 9 12.335 -1.691 -4.802 54 2HG2 VAL 9 2HG2 VAL 9 10.654 -2.247 -4.979 55 3HG2 VAL 9 3HG2 VAL 9 10.989 -0.579 -4.458 56 H ILE 10 H ILE 10 9.764 -0.968 0.142 57 HA ILE 10 HA ILE 10 12.081 -1.594 1.835 58 HB ILE 10 HB ILE 10 10.754 -0.585 3.667 59 1HG1 ILE 10 1HG1 ILE 10 8.979 1.088 2.281 60 2HG1 ILE 10 2HG1 ILE 10 8.711 -0.504 1.599 61 1HG2 ILE 10 1HG2 ILE 10 12.499 0.598 2.166 62 2HG2 ILE 10 2HG2 ILE 10 11.097 1.459 1.487 63 3HG2 ILE 10 3HG2 ILE 10 11.461 1.582 3.225 64 1HD1 ILE 10 1HD1 ILE 10 8.201 0.486 4.366 65 2HD1 ILE 10 2HD1 ILE 10 7.343 -0.758 3.426 66 3HD1 ILE 10 3HD1 ILE 10 8.867 -1.161 4.252 67 H GLU 11 H GLU 11 8.680 -2.341 0.982 68 HA GLU 11 HA GLU 11 9.111 -4.917 2.248 69 1HB GLU 11 1HB GLU 11 7.804 -3.740 3.895 70 2HB GLU 11 2HB GLU 11 6.731 -3.075 2.680 71 1HG GLU 11 1HG GLU 11 5.796 -5.059 3.995 72 2HG GLU 11 2HG GLU 11 5.706 -5.207 2.252 73 H VAL 12 H VAL 12 8.364 -6.653 1.025 74 HA VAL 12 HA VAL 12 6.823 -5.926 -1.371 75 HB VAL 12 HB VAL 12 8.869 -6.461 -2.250 76 1HG1 VAL 12 1HG1 VAL 12 9.938 -7.028 -0.091 77 2HG1 VAL 12 2HG1 VAL 12 9.225 -8.657 -0.181 78 3HG1 VAL 12 3HG1 VAL 12 10.417 -8.139 -1.397 79 1HG2 VAL 12 1HG2 VAL 12 8.764 -8.784 -3.142 80 2HG2 VAL 12 2HG2 VAL 12 7.436 -9.128 -2.007 81 3HG2 VAL 12 3HG2 VAL 12 7.222 -7.906 -3.284 82 H LEU 13 H LEU 13 4.962 -7.076 -1.755 83 HA LEU 13 HA LEU 13 4.385 -9.188 0.199 84 1HB LEU 13 1HB LEU 13 2.151 -8.017 -1.301 85 2HB LEU 13 2HB LEU 13 2.292 -8.424 0.398 86 HG LEU 13 HG LEU 13 1.979 -6.098 0.329 87 1HD1 LEU 13 1HD1 LEU 13 4.842 -5.687 0.564 88 2HD1 LEU 13 2HD1 LEU 13 3.570 -5.629 1.808 89 3HD1 LEU 13 3HD1 LEU 13 4.325 -7.183 1.380 90 1HD2 LEU 13 1HD2 LEU 13 4.142 -5.066 -1.217 91 2HD2 LEU 13 2HD2 LEU 13 3.271 -6.265 -2.202 92 3HD2 LEU 13 3HD2 LEU 13 2.391 -4.894 -1.484 93 H LYS 14 H LYS 14 4.807 -11.158 -0.655 94 HA LYS 14 HA LYS 14 3.715 -11.663 -3.323 95 1HB LYS 14 1HB LYS 14 5.722 -12.988 -3.886 96 2HB LYS 14 2HB LYS 14 6.066 -11.281 -3.691 97 1HG LYS 14 1HG LYS 14 6.495 -12.114 -1.124 98 2HG LYS 14 2HG LYS 14 6.891 -13.595 -1.973 99 1HD LYS 14 1HD LYS 14 8.883 -12.746 -2.650 100 2HD LYS 14 2HD LYS 14 8.097 -11.360 -3.381 101 1HE LYS 14 1HE LYS 14 9.273 -10.205 -1.770 102 2HE LYS 14 2HE LYS 14 7.889 -10.614 -0.776 103 1HZ LYS 14 1HZ LYS 14 9.821 -11.258 0.367 104 2HZ LYS 14 2HZ LYS 14 9.126 -12.645 -0.143 105 3HZ LYS 14 3HZ LYS 14 10.439 -12.057 -0.916 106 H ARG 15 H ARG 15 2.539 -13.532 -3.457 107 HA ARG 15 HA ARG 15 2.795 -15.310 -1.167 108 1HB ARG 15 1HB ARG 15 0.581 -13.736 -1.666 109 2HB ARG 15 2HB ARG 15 0.136 -15.191 -2.534 110 1HG ARG 15 1HG ARG 15 0.326 -16.558 -0.552 111 2HG ARG 15 2HG ARG 15 1.163 -15.297 0.331 112 1HD ARG 15 1HD ARG 15 -0.801 -14.026 0.659 113 2HD ARG 15 2HD ARG 15 -1.610 -14.717 -0.733 114 HE ARG 15 HE ARG 15 -1.072 -16.785 1.202 115 1HH1 ARG 15 1HH1 ARG 15 -3.191 -14.035 0.628 116 2HH1 ARG 15 2HH1 ARG 15 -4.484 -14.668 1.591 117 1HH2 ARG 15 1HH2 ARG 15 -2.778 -17.620 2.472 118 2HH2 ARG 15 2HH2 ARG 15 -4.248 -16.721 2.647 119 H THR 16 H THR 16 2.416 -17.604 -1.630 120 HA THR 16 HA THR 16 2.504 -19.454 -2.859 121 HB THR 16 HB THR 16 1.329 -17.730 -5.102 122 HG1 THR 16 HG1 THR 16 0.136 -19.356 -2.969 123 1HG2 THR 16 1HG2 THR 16 0.078 -20.216 -5.058 124 2HG2 THR 16 2HG2 THR 16 1.379 -19.763 -6.185 125 3HG2 THR 16 3HG2 THR 16 1.765 -20.643 -4.687 126 H GLY 17 H GLY 17 3.170 -17.056 -5.485 127 1HA GLY 17 1HA GLY 17 5.732 -16.736 -5.656 128 2HA GLY 17 2HA GLY 17 5.709 -18.464 -5.948 129 H MET 18 H MET 18 6.569 -18.096 -8.111 130 HA MET 18 HA MET 18 5.474 -16.417 -9.956 131 1HB MET 18 1HB MET 18 6.937 -19.083 -10.088 132 2HB MET 18 2HB MET 18 6.365 -18.360 -11.579 133 1HG MET 18 1HG MET 18 7.569 -16.172 -10.469 134 2HG MET 18 2HG MET 18 8.537 -17.430 -9.726 135 1HE MET 18 1HE MET 18 9.266 -15.515 -13.455 136 2HE MET 18 2HE MET 18 7.567 -16.024 -13.596 137 3HE MET 18 3HE MET 18 8.112 -15.133 -12.155 138 H THR 19 H THR 19 4.600 -17.663 -12.221 139 HA THR 19 HA THR 19 2.754 -18.415 -13.208 140 HB THR 19 HB THR 19 3.030 -20.399 -10.899 141 HG1 THR 19 HG1 THR 19 3.604 -20.191 -13.765 142 1HG2 THR 19 1HG2 THR 19 1.028 -21.311 -11.521 143 2HG2 THR 19 2HG2 THR 19 0.825 -20.091 -12.802 144 3HG2 THR 19 3HG2 THR 19 1.729 -21.589 -13.133 145 H GLY 20 H GLY 20 1.051 -17.106 -13.344 146 1HA GLY 20 1HA GLY 20 -1.261 -17.001 -12.404 147 2HA GLY 20 2HA GLY 20 -0.499 -16.647 -10.866 148 H GLU 21 H GLU 21 -1.680 -14.591 -10.834 149 HA GLU 21 HA GLU 21 -1.277 -12.725 -12.895 150 1HB GLU 21 1HB GLU 21 -2.976 -12.976 -10.691 151 2HB GLU 21 2HB GLU 21 -1.974 -11.607 -10.253 152 1HG GLU 21 1HG GLU 21 -4.034 -10.950 -11.543 153 2HG GLU 21 2HG GLU 21 -2.547 -10.426 -12.310 154 H VAL 22 H VAL 22 -0.616 -10.303 -11.666 155 HA VAL 22 HA VAL 22 2.226 -10.696 -11.300 156 HB VAL 22 HB VAL 22 2.446 -8.459 -11.826 157 1HG1 VAL 22 1HG1 VAL 22 1.520 -9.746 -13.716 158 2HG1 VAL 22 2HG1 VAL 22 -0.125 -9.272 -13.226 159 3HG1 VAL 22 3HG1 VAL 22 1.032 -8.035 -13.775 160 1HG2 VAL 22 1HG2 VAL 22 -0.253 -8.156 -10.569 161 2HG2 VAL 22 2HG2 VAL 22 1.230 -7.196 -10.348 162 3HG2 VAL 22 3HG2 VAL 22 0.237 -6.977 -11.809 163 H MET 23 H MET 23 3.409 -10.095 -9.440 164 HA MET 23 HA MET 23 1.835 -10.245 -7.054 165 1HB MET 23 1HB MET 23 3.955 -10.657 -5.971 166 2HB MET 23 2HB MET 23 4.094 -11.438 -7.534 167 1HG MET 23 1HG MET 23 4.961 -8.840 -8.088 168 2HG MET 23 2HG MET 23 5.566 -9.097 -6.464 169 1HE MET 23 1HE MET 23 8.793 -10.640 -7.252 170 2HE MET 23 2HE MET 23 8.009 -9.062 -6.996 171 3HE MET 23 3HE MET 23 7.639 -10.426 -5.913 172 H GLN 24 H GLN 24 2.230 -8.723 -5.186 173 HA GLN 24 HA GLN 24 2.511 -6.032 -6.257 174 1HB GLN 24 1HB GLN 24 1.169 -5.294 -4.340 175 2HB GLN 24 2HB GLN 24 0.333 -6.578 -5.192 176 1HG GLN 24 1HG GLN 24 1.986 -7.878 -3.262 177 2HG GLN 24 2HG GLN 24 1.262 -6.517 -2.428 178 1HE2 GLN 24 1HE2 GLN 24 -0.450 -7.114 -1.357 179 2HE2 GLN 24 2HE2 GLN 24 -1.703 -8.187 -1.884 180 H VAL 25 H VAL 25 3.604 -4.388 -4.840 181 HA VAL 25 HA VAL 25 5.457 -5.572 -2.922 182 HB VAL 25 HB VAL 25 6.324 -5.270 -5.404 183 1HG1 VAL 25 1HG1 VAL 25 5.708 -2.913 -5.610 184 2HG1 VAL 25 2HG1 VAL 25 6.727 -2.507 -4.208 185 3HG1 VAL 25 3HG1 VAL 25 7.475 -3.110 -5.707 186 1HG2 VAL 25 1HG2 VAL 25 7.862 -6.149 -3.931 187 2HG2 VAL 25 2HG2 VAL 25 8.610 -4.571 -4.278 188 3HG2 VAL 25 3HG2 VAL 25 7.689 -4.808 -2.774 189 H LYS 26 H LYS 26 6.536 -3.822 -1.582 190 HA LYS 26 HA LYS 26 4.807 -1.452 -1.456 191 1HB LYS 26 1HB LYS 26 4.468 -3.353 0.320 192 2HB LYS 26 2HB LYS 26 5.939 -2.716 1.027 193 1HG LYS 26 1HG LYS 26 4.668 -0.366 0.685 194 2HG LYS 26 2HG LYS 26 3.246 -1.391 0.724 195 1HD LYS 26 1HD LYS 26 5.418 -1.303 2.874 196 2HD LYS 26 2HD LYS 26 3.843 -0.544 2.995 197 1HE LYS 26 1HE LYS 26 3.186 -3.173 2.315 198 2HE LYS 26 2HE LYS 26 4.590 -3.391 3.341 199 1HZ LYS 26 1HZ LYS 26 3.182 -1.549 4.669 200 2HZ LYS 26 2HZ LYS 26 1.987 -2.461 4.030 201 3HZ LYS 26 3HZ LYS 26 3.128 -3.153 4.972 202 H CYS 27 H CYS 27 5.860 0.490 -1.351 203 HA CYS 27 HA CYS 27 8.695 0.411 -0.685 204 1HB CYS 27 1HB CYS 27 8.846 0.335 -3.042 205 2HB CYS 27 2HB CYS 27 7.519 1.457 -3.263 206 HG CYS 27 HG CYS 27 9.900 2.514 -3.895 207 H ARG 28 H ARG 28 9.231 2.123 0.671 208 HA ARG 28 HA ARG 28 7.071 3.936 1.252 209 1HB ARG 28 1HB ARG 28 8.262 2.735 3.113 210 2HB ARG 28 2HB ARG 28 9.759 3.523 2.658 211 1HG ARG 28 1HG ARG 28 7.755 5.575 2.939 212 2HG ARG 28 2HG ARG 28 7.639 4.533 4.344 213 1HD ARG 28 1HD ARG 28 10.440 4.942 3.844 214 2HD ARG 28 2HD ARG 28 9.670 6.512 3.726 215 HE ARG 28 HE ARG 28 8.573 5.303 6.022 216 1HH1 ARG 28 1HH1 ARG 28 11.765 6.285 4.913 217 2HH1 ARG 28 2HH1 ARG 28 12.368 6.585 6.509 218 1HH2 ARG 28 1HH2 ARG 28 9.368 5.698 8.128 219 2HH2 ARG 28 2HH2 ARG 28 10.995 6.249 8.350 220 H ILE 29 H ILE 29 7.225 6.216 0.993 221 HA ILE 29 HA ILE 29 8.814 7.169 -1.049 222 HB ILE 29 HB ILE 29 7.174 8.407 1.119 223 1HG1 ILE 29 1HG1 ILE 29 6.967 7.882 -1.800 224 2HG1 ILE 29 2HG1 ILE 29 5.750 7.776 -0.543 225 1HG2 ILE 29 1HG2 ILE 29 7.654 10.635 0.380 226 2HG2 ILE 29 2HG2 ILE 29 9.188 9.854 0.831 227 3HG2 ILE 29 3HG2 ILE 29 8.754 10.037 -0.885 228 1HD1 ILE 29 1HD1 ILE 29 6.883 10.403 -1.609 229 2HD1 ILE 29 2HD1 ILE 29 5.348 9.674 -2.138 230 3HD1 ILE 29 3HD1 ILE 29 5.541 10.221 -0.455 231 H LEU 30 H LEU 30 10.799 8.213 -1.189 232 HA LEU 30 HA LEU 30 12.379 8.097 1.282 233 1HB LEU 30 1HB LEU 30 12.959 7.498 -1.568 234 2HB LEU 30 2HB LEU 30 14.237 8.258 -0.640 235 HG LEU 30 HG LEU 30 12.838 5.682 0.132 236 1HD1 LEU 30 1HD1 LEU 30 14.038 4.998 -1.699 237 2HD1 LEU 30 2HD1 LEU 30 15.298 6.237 -1.481 238 3HD1 LEU 30 3HD1 LEU 30 15.259 4.810 -0.417 239 1HD2 LEU 30 1HD2 LEU 30 14.861 5.486 1.669 240 2HD2 LEU 30 2HD2 LEU 30 15.126 7.220 1.364 241 3HD2 LEU 30 3HD2 LEU 30 13.611 6.671 2.122 242 H ASP 31 H ASP 31 10.780 10.161 -0.935 243 HA ASP 31 HA ASP 31 11.880 12.411 0.378 244 1HB ASP 31 1HB ASP 31 13.446 11.715 -1.670 245 2HB ASP 31 2HB ASP 31 12.189 12.464 -2.633 246 H GLY 32 H GLY 32 10.514 14.322 -0.048 247 1HA GLY 32 1HA GLY 32 8.838 15.189 -1.718 248 2HA GLY 32 2HA GLY 32 8.025 13.652 -1.496 249 H ARG 33 H ARG 33 6.696 16.071 -0.945 250 HA ARG 33 HA ARG 33 6.945 16.915 1.665 251 1HB ARG 33 1HB ARG 33 5.627 17.973 -0.307 252 2HB ARG 33 2HB ARG 33 4.331 16.862 0.089 253 1HG ARG 33 1HG ARG 33 5.359 18.269 2.472 254 2HG ARG 33 2HG ARG 33 4.766 19.380 1.253 255 1HD ARG 33 1HD ARG 33 2.699 17.682 1.153 256 2HD ARG 33 2HD ARG 33 3.256 17.226 2.750 257 HE ARG 33 HE ARG 33 1.979 19.743 2.007 258 1HH1 ARG 33 1HH1 ARG 33 4.168 18.230 4.310 259 2HH1 ARG 33 2HH1 ARG 33 3.867 19.395 5.556 260 1HH2 ARG 33 1HH2 ARG 33 1.583 21.281 3.650 261 2HH2 ARG 33 2HH2 ARG 33 2.387 21.142 5.178 262 H ASP 34 H ASP 34 5.716 13.959 0.336 263 HA ASP 34 HA ASP 34 4.080 13.484 2.680 264 1HB ASP 34 1HB ASP 34 4.437 11.970 0.055 265 2HB ASP 34 2HB ASP 34 3.475 11.348 1.381 266 H LYS 35 H LYS 35 7.248 13.419 2.075 267 HA LYS 35 HA LYS 35 8.504 11.172 2.074 268 1HB LYS 35 1HB LYS 35 9.048 13.628 3.152 269 2HB LYS 35 2HB LYS 35 9.142 12.610 4.575 270 1HG LYS 35 1HG LYS 35 10.818 11.183 3.566 271 2HG LYS 35 2HG LYS 35 10.554 11.874 1.977 272 1HD LYS 35 1HD LYS 35 11.854 13.200 4.390 273 2HD LYS 35 2HD LYS 35 12.578 12.873 2.828 274 1HE LYS 35 1HE LYS 35 10.662 14.438 1.888 275 2HE LYS 35 2HE LYS 35 10.523 14.987 3.547 276 1HZ LYS 35 1HZ LYS 35 12.340 15.835 1.725 277 2HZ LYS 35 2HZ LYS 35 12.376 16.138 3.330 278 3HZ LYS 35 3HZ LYS 35 13.219 14.881 2.716 279 H GLY 36 H GLY 36 8.578 9.168 3.001 280 1HA GLY 36 1HA GLY 36 8.326 7.632 4.709 281 2HA GLY 36 2HA GLY 36 7.342 8.765 5.614 282 H ARG 37 H ARG 37 6.039 9.163 2.650 283 HA ARG 37 HA ARG 37 3.768 7.714 3.268 284 1HB ARG 37 1HB ARG 37 4.542 9.660 1.366 285 2HB ARG 37 2HB ARG 37 4.058 8.287 0.391 286 1HG ARG 37 1HG ARG 37 1.992 8.259 2.138 287 2HG ARG 37 2HG ARG 37 2.409 9.955 2.278 288 1HD ARG 37 1HD ARG 37 2.232 10.206 -0.208 289 2HD ARG 37 2HD ARG 37 1.820 8.509 -0.352 290 HE ARG 37 HE ARG 37 0.048 10.653 0.507 291 1HH1 ARG 37 1HH1 ARG 37 0.682 7.207 0.831 292 2HH1 ARG 37 2HH1 ARG 37 -0.955 6.814 1.240 293 1HH2 ARG 37 1HH2 ARG 37 -2.111 10.136 1.047 294 2HH2 ARG 37 2HH2 ARG 37 -2.554 8.492 1.363 295 H ILE 38 H ILE 38 3.137 5.606 2.794 296 HA ILE 38 HA ILE 38 4.896 4.119 0.968 297 HB ILE 38 HB ILE 38 3.503 3.098 3.446 298 1HG1 ILE 38 1HG1 ILE 38 6.349 2.881 3.579 299 2HG1 ILE 38 2HG1 ILE 38 5.959 4.539 3.166 300 1HG2 ILE 38 1HG2 ILE 38 3.627 1.310 1.915 301 2HG2 ILE 38 2HG2 ILE 38 5.262 1.768 1.382 302 3HG2 ILE 38 3HG2 ILE 38 5.011 1.100 3.013 303 1HD1 ILE 38 1HD1 ILE 38 4.117 4.257 5.081 304 2HD1 ILE 38 2HD1 ILE 38 5.215 2.967 5.627 305 3HD1 ILE 38 3HD1 ILE 38 5.807 4.639 5.490 306 H LEU 39 H LEU 39 3.929 2.999 -0.686 307 HA LEU 39 HA LEU 39 1.011 2.785 -0.581 308 1HB LEU 39 1HB LEU 39 2.652 3.915 -2.849 309 2HB LEU 39 2HB LEU 39 0.980 3.413 -3.004 310 HG LEU 39 HG LEU 39 1.083 5.804 -2.755 311 1HD1 LEU 39 1HD1 LEU 39 -0.763 5.866 -1.510 312 2HD1 LEU 39 2HD1 LEU 39 -0.497 4.131 -1.215 313 3HD1 LEU 39 3HD1 LEU 39 0.102 5.334 -0.048 314 1HD2 LEU 39 1HD2 LEU 39 2.060 5.913 0.006 315 2HD2 LEU 39 2HD2 LEU 39 3.287 5.373 -1.166 316 3HD2 LEU 39 3HD2 LEU 39 2.456 6.930 -1.400 317 H THR 40 H THR 40 0.154 1.084 -2.024 318 HA THR 40 HA THR 40 2.216 -0.927 -2.649 319 HB THR 40 HB THR 40 -0.490 -1.913 -1.925 320 HG1 THR 40 HG1 THR 40 1.300 -0.403 -0.156 321 1HG2 THR 40 1HG2 THR 40 1.710 -2.635 -0.137 322 2HG2 THR 40 2HG2 THR 40 0.771 -3.686 -1.223 323 3HG2 THR 40 3HG2 THR 40 2.207 -2.831 -1.834 324 H ARG 41 H ARG 41 2.183 -1.824 -4.641 325 HA ARG 41 HA ARG 41 -0.229 -1.452 -6.183 326 1HB ARG 41 1HB ARG 41 2.554 -0.542 -7.065 327 2HB ARG 41 2HB ARG 41 1.206 -0.708 -8.171 328 1HG ARG 41 1HG ARG 41 1.085 1.570 -7.596 329 2HG ARG 41 2HG ARG 41 -0.084 0.858 -6.501 330 1HD ARG 41 1HD ARG 41 1.122 1.482 -4.672 331 2HD ARG 41 2HD ARG 41 2.590 0.771 -5.314 332 HE ARG 41 HE ARG 41 3.219 2.867 -6.205 333 1HH1 ARG 41 1HH1 ARG 41 -0.096 2.985 -5.030 334 2HH1 ARG 41 2HH1 ARG 41 -0.211 4.709 -5.147 335 1HH2 ARG 41 1HH2 ARG 41 3.067 5.142 -6.360 336 2HH2 ARG 41 2HH2 ARG 41 1.600 5.945 -5.909 337 H ASN 42 H ASN 42 -0.291 -2.910 -8.124 338 HA ASN 42 HA ASN 42 1.125 -5.327 -7.516 339 1HB ASN 42 1HB ASN 42 -0.323 -6.201 -9.482 340 2HB ASN 42 2HB ASN 42 -1.192 -5.659 -8.060 341 1HD2 ASN 42 1HD2 ASN 42 -0.483 -5.131 -11.383 342 2HD2 ASN 42 2HD2 ASN 42 -1.555 -3.803 -11.683 343 H VAL 43 H VAL 43 2.867 -6.113 -8.764 344 HA VAL 43 HA VAL 43 3.282 -5.006 -11.413 345 HB VAL 43 HB VAL 43 4.439 -3.424 -10.020 346 1HG1 VAL 43 1HG1 VAL 43 5.129 -5.796 -8.474 347 2HG1 VAL 43 2HG1 VAL 43 6.558 -4.795 -8.826 348 3HG1 VAL 43 3HG1 VAL 43 5.151 -4.080 -8.003 349 1HG2 VAL 43 1HG2 VAL 43 6.842 -4.890 -10.844 350 2HG2 VAL 43 2HG2 VAL 43 5.582 -4.846 -12.101 351 3HG2 VAL 43 3HG2 VAL 43 6.201 -3.328 -11.407 352 H MET 44 H MET 44 4.140 -6.524 -12.800 353 HA MET 44 HA MET 44 4.552 -9.121 -11.614 354 1HB MET 44 1HB MET 44 3.160 -8.381 -13.810 355 2HB MET 44 2HB MET 44 4.721 -8.546 -14.590 356 1HG MET 44 1HG MET 44 4.899 -10.892 -13.662 357 2HG MET 44 2HG MET 44 3.295 -10.718 -12.978 358 1HE MET 44 1HE MET 44 3.535 -13.031 -16.283 359 2HE MET 44 2HE MET 44 5.049 -12.096 -16.255 360 3HE MET 44 3HE MET 44 4.424 -12.822 -14.755 361 H GLY 45 H GLY 45 6.545 -10.050 -11.336 362 1HA GLY 45 1HA GLY 45 8.684 -10.361 -12.696 363 2HA GLY 45 2HA GLY 45 8.851 -8.628 -12.500 364 HA PRO 46 HA PRO 46 10.409 -10.926 -8.759 365 1HB PRO 46 1HB PRO 46 13.069 -11.222 -9.309 366 2HB PRO 46 2HB PRO 46 11.895 -12.503 -9.535 367 1HG PRO 46 1HG PRO 46 13.209 -10.813 -11.573 368 2HG PRO 46 2HG PRO 46 12.383 -12.344 -11.784 369 1HD PRO 46 1HD PRO 46 11.366 -9.741 -12.432 370 2HD PRO 46 2HD PRO 46 10.498 -11.260 -12.533 371 H ILE 47 H ILE 47 9.768 -8.957 -7.800 372 HA ILE 47 HA ILE 47 12.095 -7.187 -7.536 373 HB ILE 47 HB ILE 47 10.178 -6.373 -9.037 374 1HG1 ILE 47 1HG1 ILE 47 10.504 -4.261 -7.048 375 2HG1 ILE 47 2HG1 ILE 47 12.015 -5.084 -7.381 376 1HG2 ILE 47 1HG2 ILE 47 8.246 -5.443 -8.010 377 2HG2 ILE 47 2HG2 ILE 47 8.391 -7.118 -7.425 378 3HG2 ILE 47 3HG2 ILE 47 8.875 -5.764 -6.376 379 1HD1 ILE 47 1HD1 ILE 47 10.148 -3.993 -9.537 380 2HD1 ILE 47 2HD1 ILE 47 11.593 -3.151 -8.928 381 3HD1 ILE 47 3HD1 ILE 47 11.762 -4.697 -9.794 382 H ARG 48 H ARG 48 12.790 -7.011 -5.475 383 HA ARG 48 HA ARG 48 10.792 -7.505 -3.420 384 1HB ARG 48 1HB ARG 48 12.625 -8.617 -2.068 385 2HB ARG 48 2HB ARG 48 12.196 -9.501 -3.520 386 1HG ARG 48 1HG ARG 48 14.471 -7.482 -3.532 387 2HG ARG 48 2HG ARG 48 14.732 -9.132 -3.001 388 1HD ARG 48 1HD ARG 48 13.273 -9.341 -5.443 389 2HD ARG 48 2HD ARG 48 14.479 -8.101 -5.723 390 HE ARG 48 HE ARG 48 15.975 -10.039 -4.503 391 1HH1 ARG 48 1HH1 ARG 48 13.679 -10.183 -7.165 392 2HH1 ARG 48 2HH1 ARG 48 14.458 -11.525 -7.933 393 1HH2 ARG 48 1HH2 ARG 48 17.004 -11.810 -5.516 394 2HH2 ARG 48 2HH2 ARG 48 16.362 -12.457 -6.989 395 H GLU 49 H GLU 49 11.407 -6.501 -1.254 396 HA GLU 49 HA GLU 49 11.879 -3.890 -1.420 397 1HB GLU 49 1HB GLU 49 12.878 -4.258 1.040 398 2HB GLU 49 2HB GLU 49 11.178 -4.502 0.691 399 1HG GLU 49 1HG GLU 49 11.310 -6.729 1.136 400 2HG GLU 49 2HG GLU 49 12.701 -6.928 0.089 401 H GLY 50 H GLY 50 13.641 -2.443 -1.403 402 1HA GLY 50 1HA GLY 50 16.003 -2.126 -0.914 403 2HA GLY 50 2HA GLY 50 16.312 -3.699 -1.623 404 H ASP 51 H ASP 51 14.036 -2.981 -3.691 405 HA ASP 51 HA ASP 51 15.884 -1.905 -5.572 406 1HB ASP 51 1HB ASP 51 13.378 -3.391 -5.598 407 2HB ASP 51 2HB ASP 51 13.243 -2.014 -6.674 408 H ILE 52 H ILE 52 14.835 -0.131 -7.180 409 HA ILE 52 HA ILE 52 13.791 1.984 -5.448 410 HB ILE 52 HB ILE 52 15.046 2.261 -8.175 411 1HG1 ILE 52 1HG1 ILE 52 16.937 3.131 -6.377 412 2HG1 ILE 52 2HG1 ILE 52 16.297 1.716 -5.564 413 1HG2 ILE 52 1HG2 ILE 52 14.030 4.270 -7.837 414 2HG2 ILE 52 2HG2 ILE 52 14.088 4.135 -6.063 415 3HG2 ILE 52 3HG2 ILE 52 15.555 4.574 -6.970 416 1HD1 ILE 52 1HD1 ILE 52 16.513 0.701 -8.082 417 2HD1 ILE 52 2HD1 ILE 52 17.819 1.908 -8.130 418 3HD1 ILE 52 3HD1 ILE 52 17.833 0.630 -6.891 419 H LEU 53 H LEU 53 11.717 2.653 -5.648 420 HA LEU 53 HA LEU 53 10.372 2.055 -8.180 421 1HB LEU 53 1HB LEU 53 9.711 1.089 -5.469 422 2HB LEU 53 2HB LEU 53 8.365 1.738 -6.384 423 HG LEU 53 HG LEU 53 8.885 0.161 -8.233 424 1HD1 LEU 53 1HD1 LEU 53 11.249 -0.341 -6.579 425 2HD1 LEU 53 2HD1 LEU 53 10.417 -1.826 -7.101 426 3HD1 LEU 53 3HD1 LEU 53 10.967 -0.642 -8.311 427 1HD2 LEU 53 1HD2 LEU 53 8.508 -1.299 -5.611 428 2HD2 LEU 53 2HD2 LEU 53 7.241 -0.323 -6.390 429 3HD2 LEU 53 3HD2 LEU 53 7.900 -1.753 -7.221 430 H MET 54 H MET 54 8.968 3.657 -8.907 431 HA MET 54 HA MET 54 9.253 6.145 -7.486 432 1HB MET 54 1HB MET 54 7.615 5.985 -9.995 433 2HB MET 54 2HB MET 54 8.882 7.121 -9.577 434 1HG MET 54 1HG MET 54 10.258 5.955 -10.963 435 2HG MET 54 2HG MET 54 10.245 4.664 -9.779 436 1HE MET 54 1HE MET 54 6.868 2.930 -10.834 437 2HE MET 54 2HE MET 54 7.432 4.056 -9.575 438 3HE MET 54 3HE MET 54 6.468 4.661 -10.944 439 H LEU 55 H LEU 55 7.555 7.340 -6.566 440 HA LEU 55 HA LEU 55 5.054 5.840 -6.308 441 1HB LEU 55 1HB LEU 55 6.265 8.021 -4.604 442 2HB LEU 55 2HB LEU 55 4.688 7.306 -4.337 443 HG LEU 55 HG LEU 55 6.993 6.497 -3.140 444 1HD1 LEU 55 1HD1 LEU 55 5.701 4.910 -2.116 445 2HD1 LEU 55 2HD1 LEU 55 4.432 5.931 -2.833 446 3HD1 LEU 55 3HD1 LEU 55 4.907 4.411 -3.628 447 1HD2 LEU 55 1HD2 LEU 55 6.575 4.664 -5.514 448 2HD2 LEU 55 2HD2 LEU 55 8.024 5.620 -5.121 449 3HD2 LEU 55 3HD2 LEU 55 7.548 4.256 -4.081 450 H LEU 56 H LEU 56 3.512 6.420 -7.738 451 HA LEU 56 HA LEU 56 3.572 9.124 -8.794 452 1HB LEU 56 1HB LEU 56 3.355 6.992 -10.177 453 2HB LEU 56 2HB LEU 56 1.717 6.880 -9.564 454 HG LEU 56 HG LEU 56 2.068 7.943 -11.862 455 1HD1 LEU 56 1HD1 LEU 56 0.373 8.958 -9.633 456 2HD1 LEU 56 2HD1 LEU 56 0.416 9.906 -11.139 457 3HD1 LEU 56 3HD1 LEU 56 -0.084 8.198 -11.176 458 1HD2 LEU 56 1HD2 LEU 56 2.959 10.033 -12.124 459 2HD2 LEU 56 2HD2 LEU 56 2.613 10.519 -10.447 460 3HD2 LEU 56 3HD2 LEU 56 3.974 9.426 -10.795 461 H ASP 57 H ASP 57 1.963 10.667 -8.467 462 HA ASP 57 HA ASP 57 0.714 10.657 -6.051 463 1HB ASP 57 1HB ASP 57 1.059 12.697 -7.364 464 2HB ASP 57 2HB ASP 57 0.013 12.110 -8.641 465 H THR 58 H THR 58 -1.118 9.566 -5.308 466 HA THR 58 HA THR 58 -2.807 8.266 -7.318 467 HB THR 58 HB THR 58 -1.918 7.733 -4.499 468 HG1 THR 58 HG1 THR 58 -2.230 5.539 -5.620 469 1HG2 THR 58 1HG2 THR 58 -4.503 7.886 -4.419 470 2HG2 THR 58 2HG2 THR 58 -4.514 6.561 -5.607 471 3HG2 THR 58 3HG2 THR 58 -3.806 6.305 -3.994 472 H ILE 59 H ILE 59 -4.749 9.034 -7.849 473 HA ILE 59 HA ILE 59 -5.744 11.303 -6.392 474 HB ILE 59 HB ILE 59 -5.795 11.341 -8.783 475 1HG1 ILE 59 1HG1 ILE 59 -7.647 12.407 -7.444 476 2HG1 ILE 59 2HG1 ILE 59 -8.013 12.085 -9.128 477 1HG2 ILE 59 1HG2 ILE 59 -7.780 9.540 -9.573 478 2HG2 ILE 59 2HG2 ILE 59 -6.036 9.444 -9.913 479 3HG2 ILE 59 3HG2 ILE 59 -6.714 8.608 -8.496 480 1HD1 ILE 59 1HD1 ILE 59 -8.739 9.716 -7.725 481 2HD1 ILE 59 2HD1 ILE 59 -9.345 11.078 -6.751 482 3HD1 ILE 59 3HD1 ILE 59 -9.831 10.917 -8.456 483 H ARG 60 H ARG 60 -7.077 11.203 -4.672 484 HA ARG 60 HA ARG 60 -8.329 8.650 -4.175 485 1HB ARG 60 1HB ARG 60 -8.644 9.466 -1.878 486 2HB ARG 60 2HB ARG 60 -6.986 9.761 -2.361 487 1HG ARG 60 1HG ARG 60 -7.466 11.863 -1.524 488 2HG ARG 60 2HG ARG 60 -8.014 12.117 -3.170 489 1HD ARG 60 1HD ARG 60 -9.964 12.782 -2.150 490 2HD ARG 60 2HD ARG 60 -10.301 11.063 -2.098 491 HE ARG 60 HE ARG 60 -8.786 11.578 0.209 492 1HH1 ARG 60 1HH1 ARG 60 -11.843 12.697 -1.127 493 2HH1 ARG 60 2HH1 ARG 60 -12.551 13.011 0.422 494 1HH2 ARG 60 1HH2 ARG 60 -9.720 11.992 2.253 495 2HH2 ARG 60 2HH2 ARG 60 -11.335 12.608 2.357 496 H GLU 61 H GLU 61 -10.542 8.348 -4.403 497 HA GLU 61 HA GLU 61 -12.039 10.418 -5.565 498 1HB GLU 61 1HB GLU 61 -13.911 8.780 -5.473 499 2HB GLU 61 2HB GLU 61 -12.449 8.069 -6.127 500 1HG GLU 61 1HG GLU 61 -12.329 7.708 -3.285 501 2HG GLU 61 2HG GLU 61 -13.955 7.277 -3.774 502 H ALA 62 H ALA 62 -13.424 11.915 -4.657 503 HA ALA 62 HA ALA 62 -13.638 11.825 -1.739 504 1HB ALA 62 1HB ALA 62 -14.588 14.252 -3.055 505 2HB ALA 62 2HB ALA 62 -13.311 14.051 -1.832 506 3HB ALA 62 3HB ALA 62 -12.931 13.843 -3.558 507 H LYS 63 H LYS 63 -15.616 11.672 -0.709 508 HA LYS 63 HA LYS 63 -17.869 11.116 -2.480 509 1HB LYS 63 1HB LYS 63 -17.220 9.385 -0.854 510 2HB LYS 63 2HB LYS 63 -17.457 10.514 0.465 511 1HG LYS 63 1HG LYS 63 -19.533 9.450 0.456 512 2HG LYS 63 2HG LYS 63 -19.879 10.812 -0.591 513 1HD LYS 63 1HD LYS 63 -18.740 8.487 -2.038 514 2HD LYS 63 2HD LYS 63 -20.262 8.130 -1.248 515 1HE LYS 63 1HE LYS 63 -21.206 10.262 -2.331 516 2HE LYS 63 2HE LYS 63 -19.726 10.358 -3.263 517 1HZ LYS 63 1HZ LYS 63 -21.819 9.032 -4.079 518 2HZ LYS 63 2HZ LYS 63 -20.302 8.582 -4.484 519 3HZ LYS 63 3HZ LYS 63 -21.087 7.814 -3.275 520 H GLU 64 H GLU 64 -19.536 12.518 -2.712 521 HA GLU 64 HA GLU 64 -19.432 14.867 -1.015 522 1HB GLU 64 1HB GLU 64 -19.469 14.889 -3.640 523 2HB GLU 64 2HB GLU 64 -21.182 14.557 -3.472 524 1HG GLU 64 1HG GLU 64 -21.602 16.731 -2.992 525 2HG GLU 64 2HG GLU 64 -20.496 16.682 -1.634 526 H ILE 65 H ILE 65 -21.468 15.765 -0.119 527 HA ILE 65 HA ILE 65 -23.146 13.616 0.827 528 HB ILE 65 HB ILE 65 -22.964 16.553 1.495 529 1HG1 ILE 65 1HG1 ILE 65 -22.256 14.186 3.236 530 2HG1 ILE 65 2HG1 ILE 65 -21.093 14.924 2.154 531 1HG2 ILE 65 1HG2 ILE 65 -24.936 16.451 2.498 532 2HG2 ILE 65 2HG2 ILE 65 -25.158 14.788 1.905 533 3HG2 ILE 65 3HG2 ILE 65 -24.381 15.075 3.481 534 1HD1 ILE 65 1HD1 ILE 65 -22.642 16.799 3.907 535 2HD1 ILE 65 2HD1 ILE 65 -21.438 15.759 4.705 536 3HD1 ILE 65 3HD1 ILE 65 -20.936 16.863 3.402 537 H ARG 66 H ARG 66 -25.176 13.136 0.121 538 HA ARG 66 HA ARG 66 -26.075 14.646 -2.141 539 1HB ARG 66 1HB ARG 66 -26.215 11.935 -1.360 540 2HB ARG 66 2HB ARG 66 -27.868 12.497 -1.203 541 1HG ARG 66 1HG ARG 66 -27.130 13.628 -3.627 542 2HG ARG 66 2HG ARG 66 -26.221 12.130 -3.652 543 1HD ARG 66 1HD ARG 66 -28.242 11.390 -4.556 544 2HD ARG 66 2HD ARG 66 -28.530 11.053 -2.861 545 HE ARG 66 HE ARG 66 -29.339 13.757 -3.518 546 1HH1 ARG 66 1HH1 ARG 66 -30.343 10.396 -3.797 547 2HH1 ARG 66 2HH1 ARG 66 -32.031 10.774 -3.880 548 1HH2 ARG 66 1HH2 ARG 66 -31.566 14.256 -3.626 549 2HH2 ARG 66 2HH2 ARG 66 -32.732 12.984 -3.782 550 H THR 67 H THR 67 -27.671 16.209 -2.037 551 HA THR 67 HA THR 67 -29.344 16.232 0.390 552 HB THR 67 HB THR 67 -29.265 18.741 0.128 553 HG1 THR 67 HG1 THR 67 -28.730 18.397 -2.259 554 1HG2 THR 67 1HG2 THR 67 -26.780 19.055 0.575 555 2HG2 THR 67 2HG2 THR 67 -27.531 17.816 1.609 556 3HG2 THR 67 3HG2 THR 67 -26.548 17.329 0.208 557 HA PRO 68 HA PRO 68 -32.713 16.096 -2.267 558 1HB PRO 68 1HB PRO 68 -34.689 17.026 -0.625 559 2HB PRO 68 2HB PRO 68 -34.098 15.377 -0.575 560 1HG PRO 68 1HG PRO 68 -33.571 17.593 1.310 561 2HG PRO 68 2HG PRO 68 -33.356 15.871 1.553 562 1HD PRO 68 1HD PRO 68 -31.299 17.801 1.035 563 2HD PRO 68 2HD PRO 68 -31.099 16.065 1.162 Start of MODEL 17 1 HA MET 1 HA MET 1 10.831 13.829 -12.350 2 1HB MET 1 1HB MET 1 12.962 12.846 -10.384 3 2HB MET 1 2HB MET 1 11.382 12.092 -10.468 4 1HG MET 1 1HG MET 1 11.728 11.313 -12.697 5 2HG MET 1 2HG MET 1 13.020 12.458 -13.000 6 1HE MET 1 1HE MET 1 15.032 12.173 -12.984 7 2HE MET 1 2HE MET 1 15.827 11.791 -11.438 8 3HE MET 1 3HE MET 1 15.901 10.632 -12.787 9 H ASP 2 H ASP 2 9.452 15.544 -11.644 10 HA ASP 2 HA ASP 2 9.545 16.071 -8.791 11 1HB ASP 2 1HB ASP 2 8.735 17.582 -11.210 12 2HB ASP 2 2HB ASP 2 7.584 17.727 -9.897 13 H ASP 3 H ASP 3 7.617 14.759 -11.493 14 HA ASP 3 HA ASP 3 5.147 14.726 -10.271 15 1HB ASP 3 1HB ASP 3 6.501 13.225 -12.490 16 2HB ASP 3 2HB ASP 3 5.047 12.492 -11.842 17 H ALA 4 H ALA 4 7.420 11.918 -10.823 18 HA ALA 4 HA ALA 4 6.239 10.602 -8.497 19 1HB ALA 4 1HB ALA 4 7.664 9.747 -10.995 20 2HB ALA 4 2HB ALA 4 7.818 8.720 -9.549 21 3HB ALA 4 3HB ALA 4 6.209 9.071 -10.225 22 H THR 5 H THR 5 7.512 9.889 -6.731 23 HA THR 5 HA THR 5 10.084 11.293 -6.535 24 HB THR 5 HB THR 5 7.775 10.998 -4.828 25 HG1 THR 5 HG1 THR 5 9.028 12.645 -3.793 26 1HG2 THR 5 1HG2 THR 5 9.170 8.952 -3.987 27 2HG2 THR 5 2HG2 THR 5 10.374 10.157 -3.470 28 3HG2 THR 5 3HG2 THR 5 8.733 10.186 -2.780 29 HA PRO 6 HA PRO 6 12.167 7.536 -6.647 30 1HB PRO 6 1HB PRO 6 14.600 8.329 -5.689 31 2HB PRO 6 2HB PRO 6 14.103 8.565 -7.352 32 1HG PRO 6 1HG PRO 6 14.287 10.554 -5.174 33 2HG PRO 6 2HG PRO 6 14.211 10.825 -6.903 34 1HD PRO 6 1HD PRO 6 12.076 11.162 -5.018 35 2HD PRO 6 2HD PRO 6 11.970 11.320 -6.760 36 H ALA 7 H ALA 7 11.418 5.923 -5.415 37 HA ALA 7 HA ALA 7 12.308 6.079 -2.621 38 1HB ALA 7 1HB ALA 7 9.981 6.622 -2.547 39 2HB ALA 7 2HB ALA 7 9.575 5.358 -3.733 40 3HB ALA 7 3HB ALA 7 10.099 4.905 -2.093 41 H GLU 8 H GLU 8 12.529 3.915 -1.594 42 HA GLU 8 HA GLU 8 13.071 1.910 -3.645 43 1HB GLU 8 1HB GLU 8 14.526 2.317 -0.994 44 2HB GLU 8 2HB GLU 8 14.890 1.073 -2.174 45 1HG GLU 8 1HG GLU 8 15.558 2.728 -3.835 46 2HG GLU 8 2HG GLU 8 14.952 4.046 -2.852 47 H VAL 9 H VAL 9 12.165 -0.126 -3.375 48 HA VAL 9 HA VAL 9 9.983 -0.455 -1.757 49 HB VAL 9 HB VAL 9 11.863 -2.577 -2.811 50 1HG1 VAL 9 1HG1 VAL 9 8.911 -2.986 -2.541 51 2HG1 VAL 9 2HG1 VAL 9 10.245 -4.160 -2.440 52 3HG1 VAL 9 3HG1 VAL 9 9.912 -3.072 -1.071 53 1HG2 VAL 9 1HG2 VAL 9 11.288 -1.263 -4.680 54 2HG2 VAL 9 2HG2 VAL 9 10.136 -2.619 -4.712 55 3HG2 VAL 9 3HG2 VAL 9 9.618 -1.025 -4.112 56 H ILE 10 H ILE 10 9.579 -1.264 0.305 57 HA ILE 10 HA ILE 10 11.993 -1.727 1.916 58 HB ILE 10 HB ILE 10 10.728 -0.827 3.812 59 1HG1 ILE 10 1HG1 ILE 10 8.674 0.659 2.907 60 2HG1 ILE 10 2HG1 ILE 10 8.555 -0.678 1.780 61 1HG2 ILE 10 1HG2 ILE 10 10.547 1.372 1.829 62 2HG2 ILE 10 2HG2 ILE 10 11.393 1.292 3.393 63 3HG2 ILE 10 3HG2 ILE 10 12.113 0.536 1.952 64 1HD1 ILE 10 1HD1 ILE 10 8.266 -0.694 4.786 65 2HD1 ILE 10 2HD1 ILE 10 7.242 -1.464 3.549 66 3HD1 ILE 10 3HD1 ILE 10 8.821 -2.172 3.964 67 H GLU 11 H GLU 11 8.585 -2.637 1.219 68 HA GLU 11 HA GLU 11 9.220 -5.203 2.441 69 1HB GLU 11 1HB GLU 11 7.764 -4.460 4.079 70 2HB GLU 11 2HB GLU 11 6.919 -3.371 2.998 71 1HG GLU 11 1HG GLU 11 5.590 -5.118 2.065 72 2HG GLU 11 2HG GLU 11 6.682 -6.373 2.616 73 H VAL 12 H VAL 12 8.142 -7.056 1.457 74 HA VAL 12 HA VAL 12 6.974 -6.417 -1.163 75 HB VAL 12 HB VAL 12 8.643 -8.852 -0.565 76 1HG1 VAL 12 1HG1 VAL 12 7.719 -9.377 -2.559 77 2HG1 VAL 12 2HG1 VAL 12 7.295 -7.687 -2.926 78 3HG1 VAL 12 3HG1 VAL 12 8.952 -8.271 -3.212 79 1HG2 VAL 12 1HG2 VAL 12 9.938 -6.723 -0.138 80 2HG2 VAL 12 2HG2 VAL 12 10.600 -7.776 -1.412 81 3HG2 VAL 12 3HG2 VAL 12 9.687 -6.314 -1.852 82 H LEU 13 H LEU 13 4.957 -7.223 -1.485 83 HA LEU 13 HA LEU 13 4.043 -9.213 0.469 84 1HB LEU 13 1HB LEU 13 2.202 -7.516 -1.168 85 2HB LEU 13 2HB LEU 13 1.927 -8.291 0.380 86 HG LEU 13 HG LEU 13 4.051 -6.304 0.552 87 1HD1 LEU 13 1HD1 LEU 13 2.694 -5.329 -1.327 88 2HD1 LEU 13 2HD1 LEU 13 1.326 -5.221 -0.193 89 3HD1 LEU 13 3HD1 LEU 13 2.822 -4.310 0.127 90 1HD2 LEU 13 1HD2 LEU 13 2.931 -5.652 2.517 91 2HD2 LEU 13 2HD2 LEU 13 1.376 -6.310 1.952 92 3HD2 LEU 13 3HD2 LEU 13 2.698 -7.413 2.402 93 H LYS 14 H LYS 14 4.273 -11.222 -0.384 94 HA LYS 14 HA LYS 14 3.105 -11.624 -3.033 95 1HB LYS 14 1HB LYS 14 4.941 -12.991 -3.761 96 2HB LYS 14 2HB LYS 14 5.563 -11.421 -3.294 97 1HG LYS 14 1HG LYS 14 5.558 -13.105 -0.946 98 2HG LYS 14 2HG LYS 14 6.291 -14.011 -2.255 99 1HD LYS 14 1HD LYS 14 7.300 -11.308 -2.382 100 2HD LYS 14 2HD LYS 14 7.430 -11.850 -0.720 101 1HE LYS 14 1HE LYS 14 8.393 -14.078 -1.851 102 2HE LYS 14 2HE LYS 14 8.722 -13.006 -3.198 103 1HZ LYS 14 1HZ LYS 14 9.722 -12.774 -0.455 104 2HZ LYS 14 2HZ LYS 14 10.586 -12.940 -1.831 105 3HZ LYS 14 3HZ LYS 14 9.815 -11.535 -1.516 106 H ARG 15 H ARG 15 2.302 -13.815 -3.375 107 HA ARG 15 HA ARG 15 2.100 -15.300 -0.887 108 1HB ARG 15 1HB ARG 15 -0.097 -14.208 -2.612 109 2HB ARG 15 2HB ARG 15 -0.330 -15.852 -2.049 110 1HG ARG 15 1HG ARG 15 0.646 -14.263 0.166 111 2HG ARG 15 2HG ARG 15 -0.688 -13.406 -0.579 112 1HD ARG 15 1HD ARG 15 -2.243 -15.025 0.000 113 2HD ARG 15 2HD ARG 15 -1.109 -16.346 -0.205 114 HE ARG 15 HE ARG 15 -0.613 -16.204 2.068 115 1HH1 ARG 15 1HH1 ARG 15 -1.922 -13.113 1.014 116 2HH1 ARG 15 2HH1 ARG 15 -1.929 -12.428 2.605 117 1HH2 ARG 15 1HH2 ARG 15 -0.622 -15.301 4.168 118 2HH2 ARG 15 2HH2 ARG 15 -1.185 -13.681 4.411 119 H THR 16 H THR 16 2.923 -17.340 -1.230 120 HA THR 16 HA THR 16 3.526 -18.281 -3.816 121 HB THR 16 HB THR 16 4.154 -20.347 -2.509 122 HG1 THR 16 HG1 THR 16 3.700 -19.995 -0.113 123 1HG2 THR 16 1HG2 THR 16 4.939 -17.584 -1.578 124 2HG2 THR 16 2HG2 THR 16 5.400 -18.963 -0.552 125 3HG2 THR 16 3HG2 THR 16 5.963 -18.881 -2.239 126 H GLY 17 H GLY 17 2.118 -18.870 -5.338 127 1HA GLY 17 1HA GLY 17 0.547 -20.231 -6.278 128 2HA GLY 17 2HA GLY 17 0.143 -20.882 -4.702 129 H MET 18 H MET 18 -2.147 -20.661 -5.369 130 HA MET 18 HA MET 18 -4.086 -19.682 -5.305 131 1HB MET 18 1HB MET 18 -3.070 -18.804 -3.085 132 2HB MET 18 2HB MET 18 -2.715 -17.310 -3.929 133 1HG MET 18 1HG MET 18 -4.970 -16.701 -4.106 134 2HG MET 18 2HG MET 18 -5.533 -18.361 -4.122 135 1HE MET 18 1HE MET 18 -5.081 -19.953 -2.206 136 2HE MET 18 2HE MET 18 -5.519 -19.510 -0.538 137 3HE MET 18 3HE MET 18 -6.721 -19.367 -1.843 138 H THR 19 H THR 19 -3.480 -19.500 -7.748 139 HA THR 19 HA THR 19 -3.754 -18.364 -9.642 140 HB THR 19 HB THR 19 -5.099 -16.722 -7.592 141 HG1 THR 19 HG1 THR 19 -6.664 -17.083 -9.183 142 1HG2 THR 19 1HG2 THR 19 -5.411 -14.858 -9.422 143 2HG2 THR 19 2HG2 THR 19 -3.969 -14.770 -8.383 144 3HG2 THR 19 3HG2 THR 19 -3.837 -15.416 -10.037 145 H GLY 20 H GLY 20 -2.247 -17.612 -11.016 146 1HA GLY 20 1HA GLY 20 0.269 -16.827 -10.062 147 2HA GLY 20 2HA GLY 20 -0.305 -16.726 -11.715 148 H GLU 21 H GLU 21 -0.964 -14.743 -12.582 149 HA GLU 21 HA GLU 21 -1.190 -12.592 -12.764 150 1HB GLU 21 1HB GLU 21 -2.616 -13.227 -10.371 151 2HB GLU 21 2HB GLU 21 -1.763 -11.730 -10.052 152 1HG GLU 21 1HG GLU 21 -4.063 -11.416 -11.074 153 2HG GLU 21 2HG GLU 21 -2.771 -10.632 -11.961 154 H VAL 22 H VAL 22 -0.470 -10.314 -11.491 155 HA VAL 22 HA VAL 22 2.377 -10.730 -11.106 156 HB VAL 22 HB VAL 22 2.642 -8.540 -11.726 157 1HG1 VAL 22 1HG1 VAL 22 -0.015 -9.200 -13.039 158 2HG1 VAL 22 2HG1 VAL 22 1.249 -8.111 -13.660 159 3HG1 VAL 22 3HG1 VAL 22 1.560 -9.860 -13.541 160 1HG2 VAL 22 1HG2 VAL 22 0.470 -6.982 -11.673 161 2HG2 VAL 22 2HG2 VAL 22 0.017 -8.106 -10.369 162 3HG2 VAL 22 3HG2 VAL 22 1.534 -7.180 -10.260 163 H MET 23 H MET 23 3.525 -10.083 -9.234 164 HA MET 23 HA MET 23 1.867 -10.125 -6.887 165 1HB MET 23 1HB MET 23 3.945 -10.601 -5.721 166 2HB MET 23 2HB MET 23 4.034 -11.487 -7.230 167 1HG MET 23 1HG MET 23 5.078 -8.896 -7.807 168 2HG MET 23 2HG MET 23 5.765 -9.343 -6.258 169 1HE MET 23 1HE MET 23 7.613 -11.070 -5.925 170 2HE MET 23 2HE MET 23 8.688 -11.262 -7.331 171 3HE MET 23 3HE MET 23 8.139 -9.640 -6.845 172 H GLN 24 H GLN 24 2.254 -8.573 -5.061 173 HA GLN 24 HA GLN 24 2.788 -5.941 -6.183 174 1HB GLN 24 1HB GLN 24 1.380 -5.050 -4.390 175 2HB GLN 24 2HB GLN 24 0.513 -6.314 -5.238 176 1HG GLN 24 1HG GLN 24 2.012 -7.569 -3.121 177 2HG GLN 24 2HG GLN 24 1.198 -6.177 -2.433 178 1HE2 GLN 24 1HE2 GLN 24 -0.806 -6.414 -1.805 179 2HE2 GLN 24 2HE2 GLN 24 -1.923 -7.641 -2.303 180 H VAL 25 H VAL 25 4.001 -4.366 -4.856 181 HA VAL 25 HA VAL 25 5.643 -5.634 -2.788 182 HB VAL 25 HB VAL 25 6.677 -5.432 -5.168 183 1HG1 VAL 25 1HG1 VAL 25 5.956 -3.011 -5.384 184 2HG1 VAL 25 2HG1 VAL 25 7.218 -2.615 -4.192 185 3HG1 VAL 25 3HG1 VAL 25 7.665 -3.345 -5.753 186 1HG2 VAL 25 1HG2 VAL 25 8.855 -4.470 -3.862 187 2HG2 VAL 25 2HG2 VAL 25 7.824 -4.920 -2.483 188 3HG2 VAL 25 3HG2 VAL 25 8.256 -6.139 -3.707 189 H LYS 26 H LYS 26 6.425 -4.159 -1.157 190 HA LYS 26 HA LYS 26 4.814 -1.711 -1.082 191 1HB LYS 26 1HB LYS 26 4.554 -3.570 0.682 192 2HB LYS 26 2HB LYS 26 6.118 -3.060 1.284 193 1HG LYS 26 1HG LYS 26 5.162 -0.663 1.375 194 2HG LYS 26 2HG LYS 26 3.589 -1.371 1.067 195 1HD LYS 26 1HD LYS 26 5.396 -2.204 3.385 196 2HD LYS 26 2HD LYS 26 4.119 -1.012 3.528 197 1HE LYS 26 1HE LYS 26 3.147 -3.474 2.242 198 2HE LYS 26 2HE LYS 26 3.847 -3.807 3.814 199 1HZ LYS 26 1HZ LYS 26 2.055 -1.539 3.583 200 2HZ LYS 26 2HZ LYS 26 1.399 -3.034 3.570 201 3HZ LYS 26 3HZ LYS 26 2.295 -2.547 4.845 202 H CYS 27 H CYS 27 5.789 0.270 -1.047 203 HA CYS 27 HA CYS 27 8.650 0.317 -0.501 204 1HB CYS 27 1HB CYS 27 9.187 1.584 -2.450 205 2HB CYS 27 2HB CYS 27 8.313 0.163 -2.987 206 HG CYS 27 HG CYS 27 6.034 1.222 -3.362 207 H ARG 28 H ARG 28 9.283 2.244 0.575 208 HA ARG 28 HA ARG 28 7.037 3.966 1.234 209 1HB ARG 28 1HB ARG 28 8.071 2.831 3.177 210 2HB ARG 28 2HB ARG 28 9.654 3.429 2.724 211 1HG ARG 28 1HG ARG 28 8.112 5.767 2.836 212 2HG ARG 28 2HG ARG 28 7.465 4.809 4.154 213 1HD ARG 28 1HD ARG 28 9.341 5.100 5.421 214 2HD ARG 28 2HD ARG 28 10.403 4.678 4.092 215 HE ARG 28 HE ARG 28 9.432 7.236 3.464 216 1HH1 ARG 28 1HH1 ARG 28 11.252 5.785 6.103 217 2HH1 ARG 28 2HH1 ARG 28 12.104 7.243 6.488 218 1HH2 ARG 28 1HH2 ARG 28 10.556 9.161 3.971 219 2HH2 ARG 28 2HH2 ARG 28 11.705 9.176 5.267 220 H ILE 29 H ILE 29 7.248 6.255 1.012 221 HA ILE 29 HA ILE 29 8.896 7.173 -1.007 222 HB ILE 29 HB ILE 29 7.214 8.432 1.112 223 1HG1 ILE 29 1HG1 ILE 29 7.126 8.000 -1.840 224 2HG1 ILE 29 2HG1 ILE 29 5.871 7.795 -0.635 225 1HG2 ILE 29 1HG2 ILE 29 8.920 10.041 -0.806 226 2HG2 ILE 29 2HG2 ILE 29 7.757 10.662 0.390 227 3HG2 ILE 29 3HG2 ILE 29 9.246 9.852 0.934 228 1HD1 ILE 29 1HD1 ILE 29 6.946 10.458 -1.669 229 2HD1 ILE 29 2HD1 ILE 29 5.355 9.747 -2.028 230 3HD1 ILE 29 3HD1 ILE 29 5.735 10.291 -0.376 231 H LEU 30 H LEU 30 10.922 8.109 -1.113 232 HA LEU 30 HA LEU 30 12.442 7.970 1.390 233 1HB LEU 30 1HB LEU 30 13.261 7.735 -1.503 234 2HB LEU 30 2HB LEU 30 14.413 7.946 -0.200 235 HG LEU 30 HG LEU 30 12.571 5.601 -0.688 236 1HD1 LEU 30 1HD1 LEU 30 14.559 4.318 -0.926 237 2HD1 LEU 30 2HD1 LEU 30 14.755 5.778 -1.926 238 3HD1 LEU 30 3HD1 LEU 30 15.577 5.660 -0.351 239 1HD2 LEU 30 1HD2 LEU 30 12.388 5.869 1.639 240 2HD2 LEU 30 2HD2 LEU 30 13.660 4.643 1.412 241 3HD2 LEU 30 3HD2 LEU 30 14.101 6.321 1.812 242 H ASP 31 H ASP 31 10.930 10.100 -0.839 243 HA ASP 31 HA ASP 31 12.004 12.311 0.557 244 1HB ASP 31 1HB ASP 31 12.483 13.214 -2.042 245 2HB ASP 31 2HB ASP 31 13.710 12.783 -0.867 246 H GLY 32 H GLY 32 10.686 14.253 0.100 247 1HA GLY 32 1HA GLY 32 9.092 15.177 -1.608 248 2HA GLY 32 2HA GLY 32 8.256 13.644 -1.469 249 H ARG 33 H ARG 33 6.943 16.082 -0.909 250 HA ARG 33 HA ARG 33 7.073 16.813 1.748 251 1HB ARG 33 1HB ARG 33 5.641 17.608 -0.532 252 2HB ARG 33 2HB ARG 33 4.377 17.029 0.535 253 1HG ARG 33 1HG ARG 33 6.527 18.934 1.538 254 2HG ARG 33 2HG ARG 33 5.097 19.534 0.723 255 1HD ARG 33 1HD ARG 33 3.894 17.863 2.512 256 2HD ARG 33 2HD ARG 33 5.344 18.237 3.422 257 HE ARG 33 HE ARG 33 3.995 20.583 2.255 258 1HH1 ARG 33 1HH1 ARG 33 4.313 18.487 5.064 259 2HH1 ARG 33 2HH1 ARG 33 3.673 19.658 6.169 260 1HH2 ARG 33 1HH2 ARG 33 3.151 22.127 3.713 261 2HH2 ARG 33 2HH2 ARG 33 3.007 21.742 5.395 262 H ASP 34 H ASP 34 5.816 13.968 0.209 263 HA ASP 34 HA ASP 34 3.981 13.456 2.380 264 1HB ASP 34 1HB ASP 34 4.637 11.933 -0.184 265 2HB ASP 34 2HB ASP 34 3.490 11.354 1.008 266 H LYS 35 H LYS 35 7.217 13.345 2.059 267 HA LYS 35 HA LYS 35 8.422 11.079 2.207 268 1HB LYS 35 1HB LYS 35 8.877 13.550 3.345 269 2HB LYS 35 2HB LYS 35 8.893 12.494 4.743 270 1HG LYS 35 1HG LYS 35 10.633 11.101 3.796 271 2HG LYS 35 2HG LYS 35 10.456 11.832 2.213 272 1HD LYS 35 1HD LYS 35 11.288 13.446 4.662 273 2HD LYS 35 2HD LYS 35 12.456 12.630 3.642 274 1HE LYS 35 1HE LYS 35 11.842 13.952 1.707 275 2HE LYS 35 2HE LYS 35 10.402 14.567 2.494 276 1HZ LYS 35 1HZ LYS 35 12.733 15.104 4.002 277 2HZ LYS 35 2HZ LYS 35 12.840 15.734 2.499 278 3HZ LYS 35 3HZ LYS 35 11.587 16.137 3.466 279 H GLY 36 H GLY 36 8.379 9.089 3.168 280 1HA GLY 36 1HA GLY 36 7.940 7.579 4.860 281 2HA GLY 36 2HA GLY 36 6.906 8.745 5.662 282 H ARG 37 H ARG 37 5.883 9.123 2.583 283 HA ARG 37 HA ARG 37 3.527 7.749 3.015 284 1HB ARG 37 1HB ARG 37 4.491 9.646 1.184 285 2HB ARG 37 2HB ARG 37 4.161 8.260 0.165 286 1HG ARG 37 1HG ARG 37 1.897 8.260 1.723 287 2HG ARG 37 2HG ARG 37 2.262 9.974 1.712 288 1HD ARG 37 1HD ARG 37 2.325 9.968 -0.778 289 2HD ARG 37 2HD ARG 37 2.030 8.241 -0.796 290 HE ARG 37 HE ARG 37 0.004 9.738 0.702 291 1HH1 ARG 37 1HH1 ARG 37 0.964 8.576 -2.478 292 2HH1 ARG 37 2HH1 ARG 37 -0.644 8.619 -3.120 293 1HH2 ARG 37 1HH2 ARG 37 -2.118 9.795 -0.145 294 2HH2 ARG 37 2HH2 ARG 37 -2.409 9.317 -1.784 295 H ILE 38 H ILE 38 2.978 5.608 2.680 296 HA ILE 38 HA ILE 38 4.787 4.050 0.965 297 HB ILE 38 HB ILE 38 3.315 3.162 3.449 298 1HG1 ILE 38 1HG1 ILE 38 6.145 2.858 3.642 299 2HG1 ILE 38 2HG1 ILE 38 5.826 4.503 3.128 300 1HG2 ILE 38 1HG2 ILE 38 3.559 1.443 1.630 301 2HG2 ILE 38 2HG2 ILE 38 5.323 1.606 1.805 302 3HG2 ILE 38 3HG2 ILE 38 4.342 1.032 3.175 303 1HD1 ILE 38 1HD1 ILE 38 5.824 4.347 5.595 304 2HD1 ILE 38 2HD1 ILE 38 4.203 4.783 5.002 305 3HD1 ILE 38 3HD1 ILE 38 4.541 3.116 5.527 306 H LEU 39 H LEU 39 3.879 2.923 -0.706 307 HA LEU 39 HA LEU 39 1.002 2.503 -0.650 308 1HB LEU 39 1HB LEU 39 0.809 3.394 -2.964 309 2HB LEU 39 2HB LEU 39 1.059 4.596 -1.713 310 HG LEU 39 HG LEU 39 3.213 3.546 -3.570 311 1HD1 LEU 39 1HD1 LEU 39 2.186 4.842 -5.082 312 2HD1 LEU 39 2HD1 LEU 39 1.229 5.701 -3.852 313 3HD1 LEU 39 3HD1 LEU 39 2.909 6.191 -4.174 314 1HD2 LEU 39 1HD2 LEU 39 3.264 5.275 -1.177 315 2HD2 LEU 39 2HD2 LEU 39 4.546 4.287 -1.918 316 3HD2 LEU 39 3HD2 LEU 39 4.161 5.892 -2.586 317 H THR 40 H THR 40 0.346 0.663 -1.805 318 HA THR 40 HA THR 40 2.590 -1.007 -2.692 319 HB THR 40 HB THR 40 0.237 -2.549 -2.504 320 HG1 THR 40 HG1 THR 40 -0.382 -1.690 -0.256 321 1HG2 THR 40 1HG2 THR 40 2.338 -1.914 -0.366 322 2HG2 THR 40 2HG2 THR 40 1.157 -3.241 -0.252 323 3HG2 THR 40 3HG2 THR 40 2.396 -3.260 -1.529 324 H ARG 41 H ARG 41 2.729 -1.882 -4.725 325 HA ARG 41 HA ARG 41 0.553 -1.178 -6.510 326 1HB ARG 41 1HB ARG 41 2.277 -0.606 -8.279 327 2HB ARG 41 2HB ARG 41 2.267 0.510 -6.928 328 1HG ARG 41 1HG ARG 41 4.532 0.122 -6.937 329 2HG ARG 41 2HG ARG 41 4.090 -1.279 -5.981 330 1HD ARG 41 1HD ARG 41 5.521 -2.100 -7.738 331 2HD ARG 41 2HD ARG 41 3.897 -2.602 -8.167 332 HE ARG 41 HE ARG 41 3.891 -1.063 -9.967 333 1HH1 ARG 41 1HH1 ARG 41 6.740 -0.603 -7.954 334 2HH1 ARG 41 2HH1 ARG 41 7.538 0.425 -9.097 335 1HH2 ARG 41 1HH2 ARG 41 4.943 0.294 -11.475 336 2HH2 ARG 41 2HH2 ARG 41 6.510 0.939 -11.113 337 H ASN 42 H ASN 42 0.327 -2.645 -8.360 338 HA ASN 42 HA ASN 42 1.362 -5.238 -7.734 339 1HB ASN 42 1HB ASN 42 -0.091 -5.858 -9.808 340 2HB ASN 42 2HB ASN 42 -0.938 -5.259 -8.396 341 1HD2 ASN 42 1HD2 ASN 42 -0.200 -4.804 -11.683 342 2HD2 ASN 42 2HD2 ASN 42 -1.015 -3.300 -11.957 343 H VAL 43 H VAL 43 3.246 -6.015 -8.697 344 HA VAL 43 HA VAL 43 3.872 -5.084 -11.394 345 HB VAL 43 HB VAL 43 5.169 -3.607 -10.127 346 1HG1 VAL 43 1HG1 VAL 43 5.170 -4.171 -7.915 347 2HG1 VAL 43 2HG1 VAL 43 5.437 -5.901 -8.240 348 3HG1 VAL 43 3HG1 VAL 43 6.797 -4.758 -8.335 349 1HG2 VAL 43 1HG2 VAL 43 7.489 -5.254 -10.217 350 2HG2 VAL 43 2HG2 VAL 43 6.436 -5.735 -11.569 351 3HG2 VAL 43 3HG2 VAL 43 6.947 -4.038 -11.398 352 H MET 44 H MET 44 4.592 -6.717 -12.715 353 HA MET 44 HA MET 44 4.726 -9.314 -11.453 354 1HB MET 44 1HB MET 44 3.338 -8.617 -13.602 355 2HB MET 44 2HB MET 44 4.871 -8.723 -14.445 356 1HG MET 44 1HG MET 44 4.975 -11.108 -13.160 357 2HG MET 44 2HG MET 44 3.233 -10.920 -13.196 358 1HE MET 44 1HE MET 44 4.768 -13.312 -16.045 359 2HE MET 44 2HE MET 44 4.734 -13.123 -14.275 360 3HE MET 44 3HE MET 44 3.211 -13.291 -15.181 361 H GLY 45 H GLY 45 6.620 -10.433 -11.167 362 1HA GLY 45 1HA GLY 45 8.711 -11.029 -12.435 363 2HA GLY 45 2HA GLY 45 9.032 -9.306 -12.452 364 HA PRO 46 HA PRO 46 10.569 -11.219 -8.521 365 1HB PRO 46 1HB PRO 46 13.237 -11.469 -9.059 366 2HB PRO 46 2HB PRO 46 12.103 -12.798 -9.196 367 1HG PRO 46 1HG PRO 46 13.361 -11.207 -11.346 368 2HG PRO 46 2HG PRO 46 12.582 -12.774 -11.451 369 1HD PRO 46 1HD PRO 46 11.485 -10.252 -12.268 370 2HD PRO 46 2HD PRO 46 10.665 -11.801 -12.266 371 H ILE 47 H ILE 47 9.894 -9.240 -7.643 372 HA ILE 47 HA ILE 47 12.146 -7.358 -7.557 373 HB ILE 47 HB ILE 47 10.252 -6.641 -9.045 374 1HG1 ILE 47 1HG1 ILE 47 10.197 -4.510 -7.089 375 2HG1 ILE 47 2HG1 ILE 47 11.805 -5.201 -7.181 376 1HG2 ILE 47 1HG2 ILE 47 8.572 -7.583 -7.201 377 2HG2 ILE 47 2HG2 ILE 47 8.662 -5.897 -6.640 378 3HG2 ILE 47 3HG2 ILE 47 8.139 -6.254 -8.303 379 1HD1 ILE 47 1HD1 ILE 47 10.314 -4.612 -9.746 380 2HD1 ILE 47 2HD1 ILE 47 11.103 -3.285 -8.861 381 3HD1 ILE 47 3HD1 ILE 47 12.069 -4.659 -9.452 382 H ARG 48 H ARG 48 12.894 -7.005 -5.536 383 HA ARG 48 HA ARG 48 11.004 -7.507 -3.383 384 1HB ARG 48 1HB ARG 48 13.082 -8.318 -2.057 385 2HB ARG 48 2HB ARG 48 12.458 -9.404 -3.283 386 1HG ARG 48 1HG ARG 48 14.657 -7.402 -3.928 387 2HG ARG 48 2HG ARG 48 15.031 -8.963 -3.227 388 1HD ARG 48 1HD ARG 48 14.722 -10.033 -5.216 389 2HD ARG 48 2HD ARG 48 13.166 -9.268 -5.468 390 HE ARG 48 HE ARG 48 15.011 -7.235 -5.968 391 1HH1 ARG 48 1HH1 ARG 48 14.451 -10.466 -7.246 392 2HH1 ARG 48 2HH1 ARG 48 15.079 -10.092 -8.816 393 1HH2 ARG 48 1HH2 ARG 48 15.840 -6.742 -8.039 394 2HH2 ARG 48 2HH2 ARG 48 15.875 -7.959 -9.271 395 H GLU 49 H GLU 49 11.808 -6.435 -1.238 396 HA GLU 49 HA GLU 49 11.929 -3.808 -1.446 397 1HB GLU 49 1HB GLU 49 13.569 -4.223 0.770 398 2HB GLU 49 2HB GLU 49 11.816 -4.218 0.777 399 1HG GLU 49 1HG GLU 49 11.661 -6.557 0.788 400 2HG GLU 49 2HG GLU 49 13.198 -6.774 -0.026 401 H GLY 50 H GLY 50 13.427 -2.144 -1.798 402 1HA GLY 50 1HA GLY 50 15.759 -1.464 -1.730 403 2HA GLY 50 2HA GLY 50 16.183 -3.011 -2.435 404 H ASP 51 H ASP 51 13.711 -2.966 -4.226 405 HA ASP 51 HA ASP 51 14.957 -1.825 -6.422 406 1HB ASP 51 1HB ASP 51 12.649 -3.411 -5.868 407 2HB ASP 51 2HB ASP 51 12.062 -2.019 -6.755 408 H ILE 52 H ILE 52 14.045 0.013 -7.790 409 HA ILE 52 HA ILE 52 13.132 2.154 -6.042 410 HB ILE 52 HB ILE 52 14.033 2.361 -8.908 411 1HG1 ILE 52 1HG1 ILE 52 16.222 3.134 -7.546 412 2HG1 ILE 52 2HG1 ILE 52 15.636 1.908 -6.439 413 1HG2 ILE 52 1HG2 ILE 52 13.580 4.287 -6.648 414 2HG2 ILE 52 2HG2 ILE 52 14.762 4.661 -7.926 415 3HG2 ILE 52 3HG2 ILE 52 13.055 4.379 -8.347 416 1HD1 ILE 52 1HD1 ILE 52 17.158 1.421 -8.713 417 2HD1 ILE 52 2HD1 ILE 52 16.184 0.205 -7.852 418 3HD1 ILE 52 3HD1 ILE 52 15.507 1.048 -9.266 419 H LEU 53 H LEU 53 11.187 3.259 -6.315 420 HA LEU 53 HA LEU 53 9.471 2.307 -8.483 421 1HB LEU 53 1HB LEU 53 8.162 2.720 -5.869 422 2HB LEU 53 2HB LEU 53 7.795 1.590 -7.158 423 HG LEU 53 HG LEU 53 8.463 0.387 -5.177 424 1HD1 LEU 53 1HD1 LEU 53 10.938 -0.201 -6.539 425 2HD1 LEU 53 2HD1 LEU 53 9.440 -1.157 -6.435 426 3HD1 LEU 53 3HD1 LEU 53 9.628 0.067 -7.714 427 1HD2 LEU 53 1HD2 LEU 53 10.266 0.810 -3.859 428 2HD2 LEU 53 2HD2 LEU 53 11.260 1.411 -5.207 429 3HD2 LEU 53 3HD2 LEU 53 10.005 2.452 -4.494 430 H MET 54 H MET 54 7.559 3.807 -8.807 431 HA MET 54 HA MET 54 8.445 6.512 -8.165 432 1HB MET 54 1HB MET 54 6.833 5.380 -10.516 433 2HB MET 54 2HB MET 54 7.045 7.099 -10.254 434 1HG MET 54 1HG MET 54 9.617 5.668 -10.136 435 2HG MET 54 2HG MET 54 8.798 5.392 -11.660 436 1HE MET 54 1HE MET 54 11.182 8.828 -10.379 437 2HE MET 54 2HE MET 54 9.797 8.738 -9.264 438 3HE MET 54 3HE MET 54 10.814 7.303 -9.539 439 H LEU 55 H LEU 55 7.140 7.734 -6.863 440 HA LEU 55 HA LEU 55 4.466 6.671 -6.339 441 1HB LEU 55 1HB LEU 55 6.052 8.684 -4.746 442 2HB LEU 55 2HB LEU 55 4.552 7.908 -4.278 443 HG LEU 55 HG LEU 55 6.173 6.777 -3.052 444 1HD1 LEU 55 1HD1 LEU 55 6.228 4.864 -5.338 445 2HD1 LEU 55 2HD1 LEU 55 5.833 4.600 -3.623 446 3HD1 LEU 55 3HD1 LEU 55 4.642 5.364 -4.703 447 1HD2 LEU 55 1HD2 LEU 55 8.095 5.825 -4.935 448 2HD2 LEU 55 2HD2 LEU 55 7.932 7.586 -5.134 449 3HD2 LEU 55 3HD2 LEU 55 8.330 6.903 -3.539 450 H LEU 56 H LEU 56 2.936 7.525 -7.648 451 HA LEU 56 HA LEU 56 3.232 10.359 -8.345 452 1HB LEU 56 1HB LEU 56 3.176 8.582 -10.146 453 2HB LEU 56 2HB LEU 56 1.505 8.293 -9.704 454 HG LEU 56 HG LEU 56 2.006 9.833 -11.701 455 1HD1 LEU 56 1HD1 LEU 56 0.075 11.309 -11.145 456 2HD1 LEU 56 2HD1 LEU 56 -0.223 9.579 -10.848 457 3HD1 LEU 56 3HD1 LEU 56 0.119 10.670 -9.484 458 1HD2 LEU 56 1HD2 LEU 56 3.685 11.147 -10.141 459 2HD2 LEU 56 2HD2 LEU 56 2.757 11.974 -11.415 460 3HD2 LEU 56 3HD2 LEU 56 2.218 12.063 -9.721 461 H ASP 57 H ASP 57 1.563 11.826 -7.923 462 HA ASP 57 HA ASP 57 0.132 11.451 -5.663 463 1HB ASP 57 1HB ASP 57 0.386 13.670 -6.526 464 2HB ASP 57 2HB ASP 57 -0.291 13.236 -8.083 465 H THR 58 H THR 58 -1.651 10.148 -5.207 466 HA THR 58 HA THR 58 -3.210 9.159 -7.488 467 HB THR 58 HB THR 58 -2.076 7.492 -6.005 468 HG1 THR 58 HG1 THR 58 -4.193 6.425 -5.492 469 1HG2 THR 58 1HG2 THR 58 -2.253 7.517 -3.714 470 2HG2 THR 58 2HG2 THR 58 -2.788 9.205 -3.902 471 3HG2 THR 58 3HG2 THR 58 -3.991 7.898 -3.782 472 H ILE 59 H ILE 59 -4.954 10.333 -7.979 473 HA ILE 59 HA ILE 59 -6.195 11.958 -5.978 474 HB ILE 59 HB ILE 59 -5.906 12.634 -8.334 475 1HG1 ILE 59 1HG1 ILE 59 -8.664 13.003 -8.461 476 2HG1 ILE 59 2HG1 ILE 59 -8.356 12.794 -6.748 477 1HG2 ILE 59 1HG2 ILE 59 -7.573 11.730 -9.994 478 2HG2 ILE 59 2HG2 ILE 59 -6.264 10.615 -9.535 479 3HG2 ILE 59 3HG2 ILE 59 -7.891 10.409 -8.844 480 1HD1 ILE 59 1HD1 ILE 59 -6.919 14.660 -6.631 481 2HD1 ILE 59 2HD1 ILE 59 -6.560 14.613 -8.374 482 3HD1 ILE 59 3HD1 ILE 59 -8.144 15.194 -7.807 483 H ARG 60 H ARG 60 -8.316 11.730 -5.113 484 HA ARG 60 HA ARG 60 -8.968 9.060 -4.591 485 1HB ARG 60 1HB ARG 60 -10.972 10.095 -3.410 486 2HB ARG 60 2HB ARG 60 -9.427 10.752 -2.907 487 1HG ARG 60 1HG ARG 60 -10.654 12.163 -5.224 488 2HG ARG 60 2HG ARG 60 -11.589 12.265 -3.746 489 1HD ARG 60 1HD ARG 60 -8.912 12.703 -2.922 490 2HD ARG 60 2HD ARG 60 -9.058 13.586 -4.428 491 HE ARG 60 HE ARG 60 -10.587 15.059 -3.412 492 1HH1 ARG 60 1HH1 ARG 60 -10.083 12.254 -1.348 493 2HH1 ARG 60 2HH1 ARG 60 -10.922 12.938 0.004 494 1HH2 ARG 60 1HH2 ARG 60 -11.694 15.963 -1.628 495 2HH2 ARG 60 2HH2 ARG 60 -11.844 15.062 -0.157 496 H GLU 61 H GLU 61 -10.635 7.745 -5.437 497 HA GLU 61 HA GLU 61 -11.881 8.834 -7.821 498 1HB GLU 61 1HB GLU 61 -10.722 6.277 -7.121 499 2HB GLU 61 2HB GLU 61 -12.403 6.029 -7.549 500 1HG GLU 61 1HG GLU 61 -12.046 7.299 -9.678 501 2HG GLU 61 2HG GLU 61 -10.365 7.543 -9.250 502 H ALA 62 H ALA 62 -14.188 8.497 -8.223 503 HA ALA 62 HA ALA 62 -15.717 8.811 -5.831 504 1HB ALA 62 1HB ALA 62 -16.524 8.572 -8.758 505 2HB ALA 62 2HB ALA 62 -17.586 9.095 -7.428 506 3HB ALA 62 3HB ALA 62 -16.180 10.086 -7.887 507 H LYS 63 H LYS 63 -16.762 7.260 -4.673 508 HA LYS 63 HA LYS 63 -16.412 4.544 -5.414 509 1HB LYS 63 1HB LYS 63 -16.438 5.501 -3.070 510 2HB LYS 63 2HB LYS 63 -18.175 5.672 -3.224 511 1HG LYS 63 1HG LYS 63 -17.196 2.992 -4.029 512 2HG LYS 63 2HG LYS 63 -16.842 3.379 -2.357 513 1HD LYS 63 1HD LYS 63 -19.106 3.545 -1.761 514 2HD LYS 63 2HD LYS 63 -19.615 3.982 -3.380 515 1HE LYS 63 1HE LYS 63 -20.307 1.802 -3.513 516 2HE LYS 63 2HE LYS 63 -18.622 1.462 -3.853 517 1HZ LYS 63 1HZ LYS 63 -18.590 0.293 -2.007 518 2HZ LYS 63 2HZ LYS 63 -18.869 1.633 -1.117 519 3HZ LYS 63 3HZ LYS 63 -20.120 0.715 -1.625 520 H GLU 64 H GLU 64 -17.609 3.367 -6.801 521 HA GLU 64 HA GLU 64 -20.241 4.434 -7.432 522 1HB GLU 64 1HB GLU 64 -18.669 4.234 -9.335 523 2HB GLU 64 2HB GLU 64 -18.448 2.528 -9.000 524 1HG GLU 64 1HG GLU 64 -20.148 2.214 -10.494 525 2HG GLU 64 2HG GLU 64 -21.199 2.660 -9.165 526 H ILE 65 H ILE 65 -22.108 3.155 -7.223 527 HA ILE 65 HA ILE 65 -21.839 0.920 -5.456 528 HB ILE 65 HB ILE 65 -24.191 2.281 -6.763 529 1HG1 ILE 65 1HG1 ILE 65 -24.020 2.292 -3.853 530 2HG1 ILE 65 2HG1 ILE 65 -22.595 3.004 -4.584 531 1HG2 ILE 65 1HG2 ILE 65 -24.785 -0.043 -6.476 532 2HG2 ILE 65 2HG2 ILE 65 -24.184 -0.028 -4.801 533 3HG2 ILE 65 3HG2 ILE 65 -25.611 0.941 -5.243 534 1HD1 ILE 65 1HD1 ILE 65 -24.505 4.158 -6.149 535 2HD1 ILE 65 2HD1 ILE 65 -25.433 3.940 -4.647 536 3HD1 ILE 65 3HD1 ILE 65 -23.924 4.883 -4.631 537 H ARG 66 H ARG 66 -21.174 -1.027 -6.186 538 HA ARG 66 HA ARG 66 -21.715 -1.681 -8.925 539 1HB ARG 66 1HB ARG 66 -19.469 -2.124 -7.856 540 2HB ARG 66 2HB ARG 66 -20.231 -3.269 -6.770 541 1HG ARG 66 1HG ARG 66 -20.157 -4.905 -8.339 542 2HG ARG 66 2HG ARG 66 -21.008 -3.901 -9.497 543 1HD ARG 66 1HD ARG 66 -19.058 -3.894 -10.684 544 2HD ARG 66 2HD ARG 66 -18.479 -2.741 -9.498 545 HE ARG 66 HE ARG 66 -17.935 -5.101 -8.239 546 1HH1 ARG 66 1HH1 ARG 66 -17.311 -4.026 -11.531 547 2HH1 ARG 66 2HH1 ARG 66 -15.895 -5.006 -11.719 548 1HH2 ARG 66 1HH2 ARG 66 -16.067 -6.393 -8.486 549 2HH2 ARG 66 2HH2 ARG 66 -15.183 -6.362 -9.975 550 H THR 67 H THR 67 -22.961 -3.538 -9.603 551 HA THR 67 HA THR 67 -24.621 -4.703 -7.464 552 HB THR 67 HB THR 67 -26.472 -4.669 -9.111 553 HG1 THR 67 HG1 THR 67 -24.504 -3.258 -10.758 554 1HG2 THR 67 1HG2 THR 67 -26.707 -2.540 -8.222 555 2HG2 THR 67 2HG2 THR 67 -24.986 -2.151 -8.459 556 3HG2 THR 67 3HG2 THR 67 -26.120 -2.037 -9.826 557 HA PRO 68 HA PRO 68 -23.246 -8.520 -8.866 558 1HB PRO 68 1HB PRO 68 -25.174 -10.160 -7.834 559 2HB PRO 68 2HB PRO 68 -23.842 -9.532 -6.885 560 1HG PRO 68 1HG PRO 68 -26.678 -8.701 -6.875 561 2HG PRO 68 2HG PRO 68 -25.442 -8.402 -5.669 562 1HD PRO 68 1HD PRO 68 -26.448 -6.531 -7.598 563 2HD PRO 68 2HD PRO 68 -25.132 -6.269 -6.470 Start of MODEL 18 1 HA MET 1 HA MET 1 9.631 14.574 -12.800 2 1HB MET 1 1HB MET 1 10.772 11.878 -12.200 3 2HB MET 1 2HB MET 1 9.035 11.966 -11.980 4 1HG MET 1 1HG MET 1 9.196 11.398 -14.259 5 2HG MET 1 2HG MET 1 9.025 13.140 -14.343 6 1HE MET 1 1HE MET 1 12.025 10.396 -13.913 7 2HE MET 1 2HE MET 1 10.836 10.143 -15.212 8 3HE MET 1 3HE MET 1 12.512 10.587 -15.614 9 H ASP 2 H ASP 2 7.967 15.429 -11.630 10 HA ASP 2 HA ASP 2 8.068 15.034 -8.774 11 1HB ASP 2 1HB ASP 2 6.691 16.970 -10.648 12 2HB ASP 2 2HB ASP 2 6.047 16.765 -9.031 13 H ASP 3 H ASP 3 6.226 14.231 -11.699 14 HA ASP 3 HA ASP 3 3.750 13.771 -10.860 15 1HB ASP 3 1HB ASP 3 5.565 12.119 -12.652 16 2HB ASP 3 2HB ASP 3 3.900 11.634 -12.394 17 H ALA 4 H ALA 4 6.451 11.312 -10.761 18 HA ALA 4 HA ALA 4 5.021 10.003 -8.549 19 1HB ALA 4 1HB ALA 4 6.839 8.883 -10.717 20 2HB ALA 4 2HB ALA 4 6.262 7.949 -9.315 21 3HB ALA 4 3HB ALA 4 5.098 8.578 -10.506 22 H THR 5 H THR 5 6.245 9.354 -6.712 23 HA THR 5 HA THR 5 8.747 10.851 -6.447 24 HB THR 5 HB THR 5 6.927 9.522 -4.370 25 HG1 THR 5 HG1 THR 5 6.158 11.402 -5.789 26 1HG2 THR 5 1HG2 THR 5 9.453 11.153 -4.253 27 2HG2 THR 5 2HG2 THR 5 8.159 11.604 -3.117 28 3HG2 THR 5 3HG2 THR 5 8.829 9.955 -3.093 29 HA PRO 6 HA PRO 6 10.941 7.143 -6.783 30 1HB PRO 6 1HB PRO 6 13.448 8.167 -6.416 31 2HB PRO 6 2HB PRO 6 12.630 8.168 -7.966 32 1HG PRO 6 1HG PRO 6 13.079 10.421 -6.106 33 2HG PRO 6 2HG PRO 6 12.659 10.469 -7.806 34 1HD PRO 6 1HD PRO 6 10.899 10.936 -5.589 35 2HD PRO 6 2HD PRO 6 10.456 10.869 -7.283 36 H ALA 7 H ALA 7 11.039 5.500 -5.398 37 HA ALA 7 HA ALA 7 12.302 6.078 -2.847 38 1HB ALA 7 1HB ALA 7 10.432 5.977 -1.594 39 2HB ALA 7 2HB ALA 7 9.515 6.170 -3.107 40 3HB ALA 7 3HB ALA 7 9.843 4.542 -2.467 41 H GLU 8 H GLU 8 12.854 4.048 -1.676 42 HA GLU 8 HA GLU 8 13.276 1.949 -3.636 43 1HB GLU 8 1HB GLU 8 14.621 2.408 -0.936 44 2HB GLU 8 2HB GLU 8 15.051 1.155 -2.083 45 1HG GLU 8 1HG GLU 8 14.977 3.840 -3.319 46 2HG GLU 8 2HG GLU 8 16.123 3.742 -1.996 47 H VAL 9 H VAL 9 12.411 -0.110 -3.386 48 HA VAL 9 HA VAL 9 10.171 -0.482 -1.865 49 HB VAL 9 HB VAL 9 12.093 -2.670 -2.653 50 1HG1 VAL 9 1HG1 VAL 9 9.798 -2.949 -1.326 51 2HG1 VAL 9 2HG1 VAL 9 9.124 -2.844 -2.970 52 3HG1 VAL 9 3HG1 VAL 9 10.312 -4.109 -2.574 53 1HG2 VAL 9 1HG2 VAL 9 10.255 -2.336 -4.740 54 2HG2 VAL 9 2HG2 VAL 9 10.807 -0.690 -4.350 55 3HG2 VAL 9 3HG2 VAL 9 11.993 -1.951 -4.767 56 H ILE 10 H ILE 10 9.713 -1.033 0.231 57 HA ILE 10 HA ILE 10 12.049 -1.587 1.926 58 HB ILE 10 HB ILE 10 10.765 -0.537 3.746 59 1HG1 ILE 10 1HG1 ILE 10 8.899 1.068 2.471 60 2HG1 ILE 10 2HG1 ILE 10 8.669 -0.487 1.697 61 1HG2 ILE 10 1HG2 ILE 10 12.391 0.638 2.029 62 2HG2 ILE 10 2HG2 ILE 10 10.913 1.525 1.586 63 3HG2 ILE 10 3HG2 ILE 10 11.510 1.572 3.262 64 1HD1 ILE 10 1HD1 ILE 10 8.168 0.319 4.522 65 2HD1 ILE 10 2HD1 ILE 10 7.348 -0.906 3.525 66 3HD1 ILE 10 3HD1 ILE 10 8.899 -1.290 4.309 67 H GLU 11 H GLU 11 8.620 -2.331 1.156 68 HA GLU 11 HA GLU 11 9.066 -4.877 2.492 69 1HB GLU 11 1HB GLU 11 7.675 -3.876 4.088 70 2HB GLU 11 2HB GLU 11 6.809 -2.922 2.900 71 1HG GLU 11 1HG GLU 11 5.361 -4.730 3.743 72 2HG GLU 11 2HG GLU 11 5.691 -4.975 2.039 73 H VAL 12 H VAL 12 8.071 -6.698 1.476 74 HA VAL 12 HA VAL 12 6.776 -6.073 -1.087 75 HB VAL 12 HB VAL 12 8.835 -6.800 -1.789 76 1HG1 VAL 12 1HG1 VAL 12 8.948 -8.949 0.346 77 2HG1 VAL 12 2HG1 VAL 12 10.260 -8.393 -0.720 78 3HG1 VAL 12 3HG1 VAL 12 9.631 -7.318 0.552 79 1HG2 VAL 12 1HG2 VAL 12 7.195 -8.193 -2.860 80 2HG2 VAL 12 2HG2 VAL 12 8.613 -9.202 -2.487 81 3HG2 VAL 12 3HG2 VAL 12 7.154 -9.306 -1.472 82 H LEU 13 H LEU 13 4.865 -7.132 -1.486 83 HA LEU 13 HA LEU 13 4.030 -9.008 0.607 84 1HB LEU 13 1HB LEU 13 2.151 -7.638 -1.278 85 2HB LEU 13 2HB LEU 13 1.847 -8.293 0.318 86 HG LEU 13 HG LEU 13 3.783 -6.182 0.546 87 1HD1 LEU 13 1HD1 LEU 13 2.503 -5.612 -1.689 88 2HD1 LEU 13 2HD1 LEU 13 1.241 -5.061 -0.561 89 3HD1 LEU 13 3HD1 LEU 13 2.872 -4.352 -0.486 90 1HD2 LEU 13 1HD2 LEU 13 2.670 -6.285 2.478 91 2HD2 LEU 13 2HD2 LEU 13 1.440 -5.275 1.682 92 3HD2 LEU 13 3HD2 LEU 13 1.248 -7.045 1.724 93 H LYS 14 H LYS 14 4.174 -11.109 0.055 94 HA LYS 14 HA LYS 14 3.464 -11.795 -2.703 95 1HB LYS 14 1HB LYS 14 6.071 -11.863 -1.713 96 2HB LYS 14 2HB LYS 14 5.532 -13.525 -1.581 97 1HG LYS 14 1HG LYS 14 6.216 -13.580 -3.788 98 2HG LYS 14 2HG LYS 14 4.573 -13.033 -4.053 99 1HD LYS 14 1HD LYS 14 5.717 -11.418 -5.276 100 2HD LYS 14 2HD LYS 14 5.648 -10.610 -3.723 101 1HE LYS 14 1HE LYS 14 7.941 -10.509 -4.651 102 2HE LYS 14 2HE LYS 14 7.924 -11.433 -3.162 103 1HZ LYS 14 1HZ LYS 14 8.723 -13.129 -4.283 104 2HZ LYS 14 2HZ LYS 14 7.416 -13.171 -5.261 105 3HZ LYS 14 3HZ LYS 14 8.718 -12.276 -5.675 106 H ARG 15 H ARG 15 1.644 -12.989 -2.604 107 HA ARG 15 HA ARG 15 1.443 -14.790 -0.324 108 1HB ARG 15 1HB ARG 15 -0.332 -12.726 -1.128 109 2HB ARG 15 2HB ARG 15 -1.118 -14.204 -1.646 110 1HG ARG 15 1HG ARG 15 -0.452 -15.058 0.795 111 2HG ARG 15 2HG ARG 15 -0.352 -13.345 1.152 112 1HD ARG 15 1HD ARG 15 -2.802 -14.454 -0.260 113 2HD ARG 15 2HD ARG 15 -2.653 -14.605 1.480 114 HE ARG 15 HE ARG 15 -2.070 -11.898 0.775 115 1HH1 ARG 15 1HH1 ARG 15 -4.793 -14.125 0.841 116 2HH1 ARG 15 2HH1 ARG 15 -5.974 -12.876 1.056 117 1HH2 ARG 15 1HH2 ARG 15 -3.627 -10.249 1.059 118 2HH2 ARG 15 2HH2 ARG 15 -5.306 -10.656 1.181 119 H THR 16 H THR 16 1.282 -16.968 -0.831 120 HA THR 16 HA THR 16 1.685 -17.909 -3.388 121 HB THR 16 HB THR 16 0.491 -19.136 -0.857 122 HG1 THR 16 HG1 THR 16 3.011 -19.077 -2.352 123 1HG2 THR 16 1HG2 THR 16 1.265 -20.414 -3.521 124 2HG2 THR 16 2HG2 THR 16 1.312 -21.321 -1.990 125 3HG2 THR 16 3HG2 THR 16 -0.230 -20.662 -2.587 126 H GLY 17 H GLY 17 -1.457 -18.240 -1.601 127 1HA GLY 17 1HA GLY 17 -3.526 -18.607 -2.463 128 2HA GLY 17 2HA GLY 17 -3.194 -17.090 -3.276 129 H MET 18 H MET 18 -4.057 -17.364 -5.315 130 HA MET 18 HA MET 18 -2.659 -18.845 -7.163 131 1HB MET 18 1HB MET 18 -4.757 -20.323 -5.708 132 2HB MET 18 2HB MET 18 -5.118 -20.268 -7.422 133 1HG MET 18 1HG MET 18 -2.297 -20.957 -6.578 134 2HG MET 18 2HG MET 18 -3.539 -22.180 -6.399 135 1HE MET 18 1HE MET 18 -4.301 -23.537 -7.815 136 2HE MET 18 2HE MET 18 -4.255 -23.553 -9.595 137 3HE MET 18 3HE MET 18 -2.801 -23.984 -8.662 138 H THR 19 H THR 19 -3.074 -16.448 -7.700 139 HA THR 19 HA THR 19 -4.895 -16.288 -9.814 140 HB THR 19 HB THR 19 -6.538 -16.285 -7.871 141 HG1 THR 19 HG1 THR 19 -7.637 -14.665 -9.014 142 1HG2 THR 19 1HG2 THR 19 -6.676 -13.937 -6.758 143 2HG2 THR 19 2HG2 THR 19 -5.437 -15.044 -6.120 144 3HG2 THR 19 3HG2 THR 19 -4.974 -13.740 -7.239 145 H GLY 20 H GLY 20 -4.956 -14.070 -10.779 146 1HA GLY 20 1HA GLY 20 -4.038 -12.004 -11.149 147 2HA GLY 20 2HA GLY 20 -2.979 -12.204 -9.767 148 H GLU 21 H GLU 21 -1.441 -11.217 -11.489 149 HA GLU 21 HA GLU 21 -0.126 -13.468 -12.767 150 1HB GLU 21 1HB GLU 21 -1.585 -11.768 -14.294 151 2HB GLU 21 2HB GLU 21 -0.090 -10.854 -14.238 152 1HG GLU 21 1HG GLU 21 1.169 -12.871 -15.031 153 2HG GLU 21 2HG GLU 21 -0.330 -13.777 -15.096 154 H VAL 22 H VAL 22 0.090 -9.928 -11.967 155 HA VAL 22 HA VAL 22 2.946 -10.312 -11.474 156 HB VAL 22 HB VAL 22 3.185 -8.005 -11.756 157 1HG1 VAL 22 1HG1 VAL 22 1.134 -9.126 -13.675 158 2HG1 VAL 22 2HG1 VAL 22 1.845 -7.509 -13.890 159 3HG1 VAL 22 3HG1 VAL 22 2.891 -8.949 -13.896 160 1HG2 VAL 22 1HG2 VAL 22 1.732 -6.616 -10.786 161 2HG2 VAL 22 2HG2 VAL 22 0.639 -6.884 -12.165 162 3HG2 VAL 22 3HG2 VAL 22 0.488 -7.886 -10.703 163 H MET 23 H MET 23 3.892 -9.806 -9.453 164 HA MET 23 HA MET 23 2.041 -10.100 -7.287 165 1HB MET 23 1HB MET 23 3.985 -10.656 -6.008 166 2HB MET 23 2HB MET 23 4.396 -11.228 -7.612 167 1HG MET 23 1HG MET 23 5.106 -8.380 -7.175 168 2HG MET 23 2HG MET 23 5.931 -9.470 -6.079 169 1HE MET 23 1HE MET 23 8.833 -10.427 -8.090 170 2HE MET 23 2HE MET 23 8.320 -9.127 -6.988 171 3HE MET 23 3HE MET 23 7.891 -10.817 -6.630 172 H GLN 24 H GLN 24 2.248 -8.697 -5.282 173 HA GLN 24 HA GLN 24 2.603 -5.947 -6.161 174 1HB GLN 24 1HB GLN 24 1.038 -5.314 -4.423 175 2HB GLN 24 2HB GLN 24 0.338 -6.651 -5.314 176 1HG GLN 24 1HG GLN 24 1.886 -7.846 -3.242 177 2HG GLN 24 2HG GLN 24 1.052 -6.502 -2.487 178 1HE2 GLN 24 1HE2 GLN 24 -0.771 -7.056 -1.597 179 2HE2 GLN 24 2HE2 GLN 24 -1.919 -8.219 -2.171 180 H VAL 25 H VAL 25 3.994 -4.531 -5.058 181 HA VAL 25 HA VAL 25 5.458 -5.720 -2.806 182 HB VAL 25 HB VAL 25 6.585 -5.595 -5.162 183 1HG1 VAL 25 1HG1 VAL 25 7.813 -3.480 -5.527 184 2HG1 VAL 25 2HG1 VAL 25 6.050 -3.264 -5.641 185 3HG1 VAL 25 3HG1 VAL 25 6.918 -2.740 -4.178 186 1HG2 VAL 25 1HG2 VAL 25 7.994 -6.356 -3.521 187 2HG2 VAL 25 2HG2 VAL 25 8.765 -4.788 -3.863 188 3HG2 VAL 25 3HG2 VAL 25 7.690 -4.963 -2.455 189 H LYS 26 H LYS 26 6.385 -4.096 -1.306 190 HA LYS 26 HA LYS 26 4.745 -1.659 -1.339 191 1HB LYS 26 1HB LYS 26 4.482 -3.505 0.503 192 2HB LYS 26 2HB LYS 26 5.958 -2.822 1.156 193 1HG LYS 26 1HG LYS 26 4.637 -0.505 0.770 194 2HG LYS 26 2HG LYS 26 3.236 -1.553 0.880 195 1HD LYS 26 1HD LYS 26 5.467 -1.456 2.966 196 2HD LYS 26 2HD LYS 26 3.961 -0.570 3.099 197 1HE LYS 26 1HE LYS 26 2.659 -2.632 3.168 198 2HE LYS 26 2HE LYS 26 4.056 -3.600 2.742 199 1HZ LYS 26 1HZ LYS 26 3.949 -1.966 5.176 200 2HZ LYS 26 2HZ LYS 26 3.493 -3.533 5.137 201 3HZ LYS 26 3HZ LYS 26 5.039 -3.124 4.805 202 H CYS 27 H CYS 27 5.749 0.324 -1.216 203 HA CYS 27 HA CYS 27 8.610 0.306 -0.675 204 1HB CYS 27 1HB CYS 27 9.193 1.537 -2.618 205 2HB CYS 27 2HB CYS 27 8.237 0.176 -3.172 206 HG CYS 27 HG CYS 27 5.948 1.869 -2.663 207 H ARG 28 H ARG 28 9.226 2.122 0.539 208 HA ARG 28 HA ARG 28 7.035 3.920 1.154 209 1HB ARG 28 1HB ARG 28 8.037 2.725 3.084 210 2HB ARG 28 2HB ARG 28 9.631 3.317 2.659 211 1HG ARG 28 1HG ARG 28 7.774 5.557 2.865 212 2HG ARG 28 2HG ARG 28 7.696 4.590 4.324 213 1HD ARG 28 1HD ARG 28 10.463 5.080 3.324 214 2HD ARG 28 2HD ARG 28 9.610 6.525 3.827 215 HE ARG 28 HE ARG 28 9.154 4.607 5.850 216 1HH1 ARG 28 1HH1 ARG 28 11.909 6.287 4.446 217 2HH1 ARG 28 2HH1 ARG 28 12.846 6.232 5.902 218 1HH2 ARG 28 1HH2 ARG 28 10.390 4.535 7.771 219 2HH2 ARG 28 2HH2 ARG 28 11.976 5.230 7.805 220 H ILE 29 H ILE 29 7.273 6.192 0.905 221 HA ILE 29 HA ILE 29 8.973 7.101 -1.063 222 HB ILE 29 HB ILE 29 7.307 8.390 1.057 223 1HG1 ILE 29 1HG1 ILE 29 7.124 7.772 -1.819 224 2HG1 ILE 29 2HG1 ILE 29 5.864 7.910 -0.608 225 1HG2 ILE 29 1HG2 ILE 29 9.038 9.941 -0.887 226 2HG2 ILE 29 2HG2 ILE 29 7.876 10.605 0.286 227 3HG2 ILE 29 3HG2 ILE 29 9.347 9.783 0.858 228 1HD1 ILE 29 1HD1 ILE 29 5.767 9.701 -2.386 229 2HD1 ILE 29 2HD1 ILE 29 5.906 10.348 -0.734 230 3HD1 ILE 29 3HD1 ILE 29 7.333 10.307 -1.796 231 H LEU 30 H LEU 30 10.974 8.157 -1.107 232 HA LEU 30 HA LEU 30 12.471 7.926 1.409 233 1HB LEU 30 1HB LEU 30 13.292 7.623 -1.471 234 2HB LEU 30 2HB LEU 30 14.462 7.920 -0.200 235 HG LEU 30 HG LEU 30 12.612 5.534 -0.438 236 1HD1 LEU 30 1HD1 LEU 30 14.863 4.327 -0.521 237 2HD1 LEU 30 2HD1 LEU 30 14.368 5.241 -1.966 238 3HD1 LEU 30 3HD1 LEU 30 15.575 5.925 -0.851 239 1HD2 LEU 30 1HD2 LEU 30 14.417 6.413 1.808 240 2HD2 LEU 30 2HD2 LEU 30 12.723 5.867 1.868 241 3HD2 LEU 30 3HD2 LEU 30 14.024 4.697 1.543 242 H ASP 31 H ASP 31 11.043 10.071 -0.872 243 HA ASP 31 HA ASP 31 12.109 12.270 0.551 244 1HB ASP 31 1HB ASP 31 12.908 11.768 -2.343 245 2HB ASP 31 2HB ASP 31 12.885 13.388 -1.677 246 H GLY 32 H GLY 32 10.889 14.277 -0.038 247 1HA GLY 32 1HA GLY 32 9.328 15.168 -1.787 248 2HA GLY 32 2HA GLY 32 8.444 13.668 -1.587 249 H ARG 33 H ARG 33 7.146 16.105 -1.148 250 HA ARG 33 HA ARG 33 7.298 17.007 1.454 251 1HB ARG 33 1HB ARG 33 6.159 18.195 -0.454 252 2HB ARG 33 2HB ARG 33 4.880 16.998 -0.424 253 1HG ARG 33 1HG ARG 33 5.421 18.218 2.229 254 2HG ARG 33 2HG ARG 33 4.891 19.374 1.024 255 1HD ARG 33 1HD ARG 33 2.984 17.689 0.477 256 2HD ARG 33 2HD ARG 33 3.435 16.864 1.956 257 HE ARG 33 HE ARG 33 2.999 19.761 2.264 258 1HH1 ARG 33 1HH1 ARG 33 1.552 16.557 2.404 259 2HH1 ARG 33 2HH1 ARG 33 0.243 17.053 3.424 260 1HH2 ARG 33 1HH2 ARG 33 1.272 20.416 3.609 261 2HH2 ARG 33 2HH2 ARG 33 0.083 19.263 4.114 262 H ASP 34 H ASP 34 6.070 14.052 0.135 263 HA ASP 34 HA ASP 34 4.315 13.674 2.414 264 1HB ASP 34 1HB ASP 34 4.657 12.281 -0.262 265 2HB ASP 34 2HB ASP 34 3.831 11.462 1.048 266 H LYS 35 H LYS 35 7.493 13.500 1.950 267 HA LYS 35 HA LYS 35 8.654 11.189 2.009 268 1HB LYS 35 1HB LYS 35 9.295 13.641 3.013 269 2HB LYS 35 2HB LYS 35 9.279 12.689 4.484 270 1HG LYS 35 1HG LYS 35 10.866 11.073 3.527 271 2HG LYS 35 2HG LYS 35 10.785 11.858 1.962 272 1HD LYS 35 1HD LYS 35 12.035 12.906 4.525 273 2HD LYS 35 2HD LYS 35 12.796 12.680 2.962 274 1HE LYS 35 1HE LYS 35 11.084 14.463 2.090 275 2HE LYS 35 2HE LYS 35 10.807 14.832 3.780 276 1HZ LYS 35 1HZ LYS 35 13.467 14.832 2.534 277 2HZ LYS 35 2HZ LYS 35 12.553 16.170 2.739 278 3HZ LYS 35 3HZ LYS 35 13.094 15.344 4.039 279 H GLY 36 H GLY 36 8.721 9.233 3.074 280 1HA GLY 36 1HA GLY 36 8.338 7.762 4.802 281 2HA GLY 36 2HA GLY 36 7.356 8.955 5.630 282 H ARG 37 H ARG 37 6.162 9.279 2.613 283 HA ARG 37 HA ARG 37 3.832 7.919 3.202 284 1HB ARG 37 1HB ARG 37 4.780 9.722 1.201 285 2HB ARG 37 2HB ARG 37 4.167 8.334 0.324 286 1HG ARG 37 1HG ARG 37 2.128 8.595 2.079 287 2HG ARG 37 2HG ARG 37 2.693 10.253 2.118 288 1HD ARG 37 1HD ARG 37 2.545 10.327 -0.407 289 2HD ARG 37 2HD ARG 37 1.890 8.702 -0.391 290 HE ARG 37 HE ARG 37 0.504 11.163 0.448 291 1HH1 ARG 37 1HH1 ARG 37 0.516 7.645 0.512 292 2HH1 ARG 37 2HH1 ARG 37 -1.178 7.518 0.850 293 1HH2 ARG 37 1HH2 ARG 37 -1.731 10.996 0.894 294 2HH2 ARG 37 2HH2 ARG 37 -2.465 9.437 1.068 295 H ILE 38 H ILE 38 3.180 5.802 2.827 296 HA ILE 38 HA ILE 38 4.958 4.189 1.131 297 HB ILE 38 HB ILE 38 3.410 3.332 3.579 298 1HG1 ILE 38 1HG1 ILE 38 6.225 2.990 3.866 299 2HG1 ILE 38 2HG1 ILE 38 5.951 4.638 3.336 300 1HG2 ILE 38 1HG2 ILE 38 3.500 1.425 2.270 301 2HG2 ILE 38 2HG2 ILE 38 5.079 1.850 1.567 302 3HG2 ILE 38 3HG2 ILE 38 4.978 1.285 3.252 303 1HD1 ILE 38 1HD1 ILE 38 4.925 3.252 5.822 304 2HD1 ILE 38 2HD1 ILE 38 5.734 4.830 5.669 305 3HD1 ILE 38 3HD1 ILE 38 4.039 4.646 5.158 306 H LEU 39 H LEU 39 4.044 3.107 -0.562 307 HA LEU 39 HA LEU 39 1.130 2.875 -0.567 308 1HB LEU 39 1HB LEU 39 2.804 4.091 -2.767 309 2HB LEU 39 2HB LEU 39 1.137 3.586 -2.959 310 HG LEU 39 HG LEU 39 1.240 5.975 -2.641 311 1HD1 LEU 39 1HD1 LEU 39 -0.313 6.246 -0.799 312 2HD1 LEU 39 2HD1 LEU 39 -0.683 4.755 -1.699 313 3HD1 LEU 39 3HD1 LEU 39 0.158 4.664 -0.132 314 1HD2 LEU 39 1HD2 LEU 39 2.117 6.037 0.141 315 2HD2 LEU 39 2HD2 LEU 39 3.386 5.463 -0.968 316 3HD2 LEU 39 3HD2 LEU 39 2.609 7.041 -1.244 317 H THR 40 H THR 40 0.343 1.186 -2.044 318 HA THR 40 HA THR 40 2.464 -0.754 -2.693 319 HB THR 40 HB THR 40 -0.266 -1.758 -2.012 320 HG1 THR 40 HG1 THR 40 1.593 -0.338 -0.252 321 1HG2 THR 40 1HG2 THR 40 1.324 -3.500 -2.069 322 2HG2 THR 40 2HG2 THR 40 2.629 -2.457 -1.453 323 3HG2 THR 40 3HG2 THR 40 1.373 -3.060 -0.345 324 H ARG 41 H ARG 41 2.479 -1.618 -4.704 325 HA ARG 41 HA ARG 41 0.094 -1.236 -6.285 326 1HB ARG 41 1HB ARG 41 2.772 0.035 -6.777 327 2HB ARG 41 2HB ARG 41 1.972 -0.633 -8.185 328 1HG ARG 41 1HG ARG 41 0.937 1.418 -8.245 329 2HG ARG 41 2HG ARG 41 -0.143 0.683 -7.076 330 1HD ARG 41 1HD ARG 41 1.038 1.683 -5.209 331 2HD ARG 41 2HD ARG 41 2.387 2.156 -6.222 332 HE ARG 41 HE ARG 41 1.199 4.067 -6.842 333 1HH1 ARG 41 1HH1 ARG 41 -1.074 1.666 -5.640 334 2HH1 ARG 41 2HH1 ARG 41 -2.438 2.730 -5.721 335 1HH2 ARG 41 1HH2 ARG 41 -0.600 5.472 -6.950 336 2HH2 ARG 41 2HH2 ARG 41 -2.166 4.910 -6.471 337 H ASN 42 H ASN 42 0.112 -2.633 -8.285 338 HA ASN 42 HA ASN 42 1.467 -5.077 -7.681 339 1HB ASN 42 1HB ASN 42 -0.600 -4.207 -9.744 340 2HB ASN 42 2HB ASN 42 0.183 -5.768 -9.888 341 1HD2 ASN 42 1HD2 ASN 42 -1.603 -3.687 -7.647 342 2HD2 ASN 42 2HD2 ASN 42 -2.410 -4.940 -6.765 343 H VAL 43 H VAL 43 3.475 -5.563 -8.582 344 HA VAL 43 HA VAL 43 4.120 -4.288 -11.150 345 HB VAL 43 HB VAL 43 5.324 -3.169 -9.393 346 1HG1 VAL 43 1HG1 VAL 43 6.738 -4.253 -7.799 347 2HG1 VAL 43 2HG1 VAL 43 5.159 -5.073 -7.743 348 3HG1 VAL 43 3HG1 VAL 43 6.527 -5.833 -8.590 349 1HG2 VAL 43 1HG2 VAL 43 7.665 -3.638 -10.107 350 2HG2 VAL 43 2HG2 VAL 43 7.080 -5.085 -10.963 351 3HG2 VAL 43 3HG2 VAL 43 6.532 -3.468 -11.469 352 H MET 44 H MET 44 5.306 -5.575 -12.644 353 HA MET 44 HA MET 44 5.109 -8.403 -12.002 354 1HB MET 44 1HB MET 44 4.926 -8.753 -14.381 355 2HB MET 44 2HB MET 44 3.990 -7.302 -14.083 356 1HG MET 44 1HG MET 44 6.424 -6.151 -14.512 357 2HG MET 44 2HG MET 44 6.640 -7.604 -15.467 358 1HE MET 44 1HE MET 44 5.435 -3.968 -15.833 359 2HE MET 44 2HE MET 44 6.829 -4.852 -16.498 360 3HE MET 44 3HE MET 44 5.529 -4.298 -17.580 361 H GLY 45 H GLY 45 6.898 -9.793 -12.098 362 1HA GLY 45 1HA GLY 45 9.098 -10.253 -12.941 363 2HA GLY 45 2HA GLY 45 9.480 -8.547 -12.815 364 HA PRO 46 HA PRO 46 10.613 -10.767 -8.910 365 1HB PRO 46 1HB PRO 46 13.309 -11.070 -9.237 366 2HB PRO 46 2HB PRO 46 12.155 -12.348 -9.562 367 1HG PRO 46 1HG PRO 46 13.638 -10.657 -11.481 368 2HG PRO 46 2HG PRO 46 12.828 -12.186 -11.762 369 1HD PRO 46 1HD PRO 46 11.876 -9.580 -12.489 370 2HD PRO 46 2HD PRO 46 11.016 -11.097 -12.665 371 H ILE 47 H ILE 47 9.897 -8.795 -8.009 372 HA ILE 47 HA ILE 47 12.199 -7.034 -7.546 373 HB ILE 47 HB ILE 47 10.420 -6.212 -9.204 374 1HG1 ILE 47 1HG1 ILE 47 10.643 -4.154 -7.104 375 2HG1 ILE 47 2HG1 ILE 47 12.160 -4.935 -7.504 376 1HG2 ILE 47 1HG2 ILE 47 8.422 -5.243 -8.316 377 2HG2 ILE 47 2HG2 ILE 47 8.487 -6.943 -7.796 378 3HG2 ILE 47 3HG2 ILE 47 8.898 -5.645 -6.649 379 1HD1 ILE 47 1HD1 ILE 47 11.728 -4.482 -9.940 380 2HD1 ILE 47 2HD1 ILE 47 10.246 -3.611 -9.480 381 3HD1 ILE 47 3HD1 ILE 47 11.835 -2.995 -8.967 382 H ARG 48 H ARG 48 12.734 -6.929 -5.436 383 HA ARG 48 HA ARG 48 10.555 -7.311 -3.552 384 1HB ARG 48 1HB ARG 48 12.210 -8.562 -2.073 385 2HB ARG 48 2HB ARG 48 11.770 -9.415 -3.539 386 1HG ARG 48 1HG ARG 48 14.039 -7.704 -4.116 387 2HG ARG 48 2HG ARG 48 14.394 -8.632 -2.672 388 1HD ARG 48 1HD ARG 48 13.150 -10.112 -4.983 389 2HD ARG 48 2HD ARG 48 14.821 -9.615 -5.158 390 HE ARG 48 HE ARG 48 13.805 -11.689 -3.379 391 1HH1 ARG 48 1HH1 ARG 48 16.396 -9.352 -3.831 392 2HH1 ARG 48 2HH1 ARG 48 17.531 -10.229 -2.859 393 1HH2 ARG 48 1HH2 ARG 48 15.301 -12.848 -2.097 394 2HH2 ARG 48 2HH2 ARG 48 16.904 -12.231 -1.867 395 H GLU 49 H GLU 49 11.252 -6.510 -1.251 396 HA GLU 49 HA GLU 49 11.746 -3.929 -1.219 397 1HB GLU 49 1HB GLU 49 12.951 -4.479 1.110 398 2HB GLU 49 2HB GLU 49 11.230 -4.722 0.885 399 1HG GLU 49 1HG GLU 49 11.417 -6.980 1.111 400 2HG GLU 49 2HG GLU 49 12.742 -7.062 -0.034 401 H GLY 50 H GLY 50 13.474 -2.460 -1.287 402 1HA GLY 50 1HA GLY 50 15.811 -2.018 -1.039 403 2HA GLY 50 2HA GLY 50 16.164 -3.620 -1.654 404 H ASP 51 H ASP 51 13.824 -3.221 -3.691 405 HA ASP 51 HA ASP 51 15.517 -2.221 -5.722 406 1HB ASP 51 1HB ASP 51 13.092 -3.765 -5.511 407 2HB ASP 51 2HB ASP 51 12.758 -2.415 -6.576 408 H ILE 52 H ILE 52 14.076 -0.680 -7.439 409 HA ILE 52 HA ILE 52 13.196 1.588 -5.792 410 HB ILE 52 HB ILE 52 14.406 1.680 -8.554 411 1HG1 ILE 52 1HG1 ILE 52 16.250 2.786 -6.815 412 2HG1 ILE 52 2HG1 ILE 52 15.680 1.388 -5.925 413 1HG2 ILE 52 1HG2 ILE 52 13.856 3.842 -6.503 414 2HG2 ILE 52 2HG2 ILE 52 14.693 4.069 -8.057 415 3HG2 ILE 52 3HG2 ILE 52 12.981 3.581 -8.031 416 1HD1 ILE 52 1HD1 ILE 52 15.989 0.106 -8.211 417 2HD1 ILE 52 2HD1 ILE 52 17.031 1.487 -8.631 418 3HD1 ILE 52 3HD1 ILE 52 17.420 0.476 -7.219 419 H LEU 53 H LEU 53 11.173 2.425 -6.127 420 HA LEU 53 HA LEU 53 9.745 1.507 -8.507 421 1HB LEU 53 1HB LEU 53 9.146 0.862 -5.694 422 2HB LEU 53 2HB LEU 53 7.782 1.458 -6.621 423 HG LEU 53 HG LEU 53 8.249 -0.317 -8.337 424 1HD1 LEU 53 1HD1 LEU 53 10.243 -1.304 -8.282 425 2HD1 LEU 53 2HD1 LEU 53 10.568 -0.735 -6.627 426 3HD1 LEU 53 3HD1 LEU 53 9.643 -2.233 -6.888 427 1HD2 LEU 53 1HD2 LEU 53 7.604 -1.180 -5.506 428 2HD2 LEU 53 2HD2 LEU 53 6.466 -0.632 -6.760 429 3HD2 LEU 53 3HD2 LEU 53 7.331 -2.175 -6.956 430 H MET 54 H MET 54 7.784 2.868 -8.950 431 HA MET 54 HA MET 54 8.450 5.592 -8.241 432 1HB MET 54 1HB MET 54 6.528 4.380 -10.305 433 2HB MET 54 2HB MET 54 6.792 6.102 -10.119 434 1HG MET 54 1HG MET 54 9.306 4.542 -10.404 435 2HG MET 54 2HG MET 54 8.252 4.435 -11.800 436 1HE MET 54 1HE MET 54 10.720 7.740 -10.186 437 2HE MET 54 2HE MET 54 9.133 7.914 -9.400 438 3HE MET 54 3HE MET 54 10.011 6.369 -9.299 439 H LEU 55 H LEU 55 7.204 6.854 -6.896 440 HA LEU 55 HA LEU 55 4.781 5.589 -5.857 441 1HB LEU 55 1HB LEU 55 6.528 7.796 -4.761 442 2HB LEU 55 2HB LEU 55 5.044 7.238 -4.015 443 HG LEU 55 HG LEU 55 7.351 6.366 -3.173 444 1HD1 LEU 55 1HD1 LEU 55 5.325 4.195 -3.635 445 2HD1 LEU 55 2HD1 LEU 55 6.298 4.555 -2.188 446 3HD1 LEU 55 3HD1 LEU 55 4.929 5.605 -2.623 447 1HD2 LEU 55 1HD2 LEU 55 8.122 5.683 -5.445 448 2HD2 LEU 55 2HD2 LEU 55 8.204 4.389 -4.226 449 3HD2 LEU 55 3HD2 LEU 55 6.891 4.398 -5.428 450 H LEU 56 H LEU 56 2.957 6.154 -6.919 451 HA LEU 56 HA LEU 56 2.822 8.896 -7.945 452 1HB LEU 56 1HB LEU 56 2.628 7.025 -9.559 453 2HB LEU 56 2HB LEU 56 1.199 6.466 -8.713 454 HG LEU 56 HG LEU 56 0.689 7.731 -10.772 455 1HD1 LEU 56 1HD1 LEU 56 -0.530 7.941 -8.266 456 2HD1 LEU 56 2HD1 LEU 56 -0.495 9.603 -8.903 457 3HD1 LEU 56 3HD1 LEU 56 -1.251 8.302 -9.853 458 1HD2 LEU 56 1HD2 LEU 56 1.202 9.973 -11.113 459 2HD2 LEU 56 2HD2 LEU 56 1.566 10.259 -9.395 460 3HD2 LEU 56 3HD2 LEU 56 2.695 9.318 -10.399 461 H ASP 57 H ASP 57 1.160 10.283 -7.327 462 HA ASP 57 HA ASP 57 0.068 9.761 -4.811 463 1HB ASP 57 1HB ASP 57 -0.339 11.891 -6.932 464 2HB ASP 57 2HB ASP 57 -1.381 11.866 -5.523 465 H THR 58 H THR 58 -1.824 8.625 -4.340 466 HA THR 58 HA THR 58 -3.427 7.609 -6.474 467 HB THR 58 HB THR 58 -2.777 6.502 -4.214 468 HG1 THR 58 HG1 THR 58 -5.607 6.807 -4.925 469 1HG2 THR 58 1HG2 THR 58 -3.719 8.613 -2.911 470 2HG2 THR 58 2HG2 THR 58 -5.305 7.871 -3.230 471 3HG2 THR 58 3HG2 THR 58 -4.081 6.985 -2.289 472 H ILE 59 H ILE 59 -5.198 8.419 -7.411 473 HA ILE 59 HA ILE 59 -6.102 10.994 -6.545 474 HB ILE 59 HB ILE 59 -5.818 10.363 -8.908 475 1HG1 ILE 59 1HG1 ILE 59 -8.370 11.059 -9.467 476 2HG1 ILE 59 2HG1 ILE 59 -8.328 11.474 -7.765 477 1HG2 ILE 59 1HG2 ILE 59 -6.552 8.034 -8.776 478 2HG2 ILE 59 2HG2 ILE 59 -8.216 8.569 -8.442 479 3HG2 ILE 59 3HG2 ILE 59 -7.463 8.932 -10.013 480 1HD1 ILE 59 1HD1 ILE 59 -5.956 12.326 -9.388 481 2HD1 ILE 59 2HD1 ILE 59 -7.491 13.172 -9.702 482 3HD1 ILE 59 3HD1 ILE 59 -6.792 13.174 -8.065 483 H ARG 60 H ARG 60 -7.864 11.492 -5.313 484 HA ARG 60 HA ARG 60 -9.314 9.199 -4.311 485 1HB ARG 60 1HB ARG 60 -9.223 12.089 -3.306 486 2HB ARG 60 2HB ARG 60 -10.068 10.778 -2.507 487 1HG ARG 60 1HG ARG 60 -7.520 9.704 -2.839 488 2HG ARG 60 2HG ARG 60 -7.166 11.397 -2.560 489 1HD ARG 60 1HD ARG 60 -9.212 10.165 -0.741 490 2HD ARG 60 2HD ARG 60 -7.565 9.601 -0.540 491 HE ARG 60 HE ARG 60 -8.587 12.228 0.166 492 1HH1 ARG 60 1HH1 ARG 60 -5.697 10.524 -0.895 493 2HH1 ARG 60 2HH1 ARG 60 -4.607 11.687 -0.218 494 1HH2 ARG 60 1HH2 ARG 60 -7.150 13.763 1.060 495 2HH2 ARG 60 2HH2 ARG 60 -5.439 13.542 0.901 496 H GLU 61 H GLU 61 -11.726 9.381 -4.049 497 HA GLU 61 HA GLU 61 -12.802 10.892 -6.279 498 1HB GLU 61 1HB GLU 61 -13.503 8.338 -4.910 499 2HB GLU 61 2HB GLU 61 -14.873 9.305 -5.420 500 1HG GLU 61 1HG GLU 61 -14.584 8.514 -7.524 501 2HG GLU 61 2HG GLU 61 -13.076 9.403 -7.610 502 H ALA 62 H ALA 62 -14.399 12.477 -6.020 503 HA ALA 62 HA ALA 62 -14.693 13.466 -3.325 504 1HB ALA 62 1HB ALA 62 -14.740 14.505 -6.019 505 2HB ALA 62 2HB ALA 62 -16.245 14.959 -5.184 506 3HB ALA 62 3HB ALA 62 -14.670 15.393 -4.477 507 H LYS 63 H LYS 63 -16.525 13.352 -2.062 508 HA LYS 63 HA LYS 63 -18.527 11.487 -2.926 509 1HB LYS 63 1HB LYS 63 -17.567 11.530 -0.624 510 2HB LYS 63 2HB LYS 63 -18.327 13.086 -0.358 511 1HG LYS 63 1HG LYS 63 -19.943 11.632 0.520 512 2HG LYS 63 2HG LYS 63 -20.544 11.869 -1.109 513 1HD LYS 63 1HD LYS 63 -18.609 9.682 -1.073 514 2HD LYS 63 2HD LYS 63 -19.848 9.402 0.134 515 1HE LYS 63 1HE LYS 63 -21.362 10.278 -2.026 516 2HE LYS 63 2HE LYS 63 -20.068 9.411 -2.830 517 1HZ LYS 63 1HZ LYS 63 -20.766 7.477 -1.993 518 2HZ LYS 63 2HZ LYS 63 -21.196 8.090 -0.542 519 3HZ LYS 63 3HZ LYS 63 -22.199 8.240 -1.821 520 H GLU 64 H GLU 64 -20.406 11.961 -3.935 521 HA GLU 64 HA GLU 64 -21.021 14.765 -4.229 522 1HB GLU 64 1HB GLU 64 -22.694 13.884 -5.935 523 2HB GLU 64 2HB GLU 64 -21.013 13.549 -6.297 524 1HG GLU 64 1HG GLU 64 -21.202 11.254 -5.597 525 2HG GLU 64 2HG GLU 64 -22.726 11.542 -4.781 526 H ILE 65 H ILE 65 -22.892 15.758 -3.433 527 HA ILE 65 HA ILE 65 -24.269 14.261 -1.382 528 HB ILE 65 HB ILE 65 -24.375 17.155 -2.234 529 1HG1 ILE 65 1HG1 ILE 65 -23.368 17.098 0.300 530 2HG1 ILE 65 2HG1 ILE 65 -22.707 15.607 -0.342 531 1HG2 ILE 65 1HG2 ILE 65 -25.905 15.628 -0.147 532 2HG2 ILE 65 2HG2 ILE 65 -25.489 17.339 0.110 533 3HG2 ILE 65 3HG2 ILE 65 -26.470 16.863 -1.297 534 1HD1 ILE 65 1HD1 ILE 65 -21.916 18.344 -0.914 535 2HD1 ILE 65 2HD1 ILE 65 -21.119 16.826 -1.395 536 3HD1 ILE 65 3HD1 ILE 65 -22.396 17.525 -2.420 537 H ARG 66 H ARG 66 -26.528 13.859 -1.325 538 HA ARG 66 HA ARG 66 -27.636 13.749 -3.990 539 1HB ARG 66 1HB ARG 66 -27.528 11.736 -2.322 540 2HB ARG 66 2HB ARG 66 -28.845 12.522 -1.474 541 1HG ARG 66 1HG ARG 66 -29.901 12.630 -3.952 542 2HG ARG 66 2HG ARG 66 -28.830 11.269 -4.215 543 1HD ARG 66 1HD ARG 66 -30.028 10.696 -1.729 544 2HD ARG 66 2HD ARG 66 -31.333 11.397 -2.664 545 HE ARG 66 HE ARG 66 -29.871 9.473 -4.256 546 1HH1 ARG 66 1HH1 ARG 66 -32.250 9.713 -1.675 547 2HH1 ARG 66 2HH1 ARG 66 -32.973 8.179 -2.025 548 1HH2 ARG 66 1HH2 ARG 66 -30.825 7.449 -4.720 549 2HH2 ARG 66 2HH2 ARG 66 -32.158 6.882 -3.769 550 H THR 67 H THR 67 -29.731 14.650 -4.493 551 HA THR 67 HA THR 67 -30.810 16.438 -2.416 552 HB THR 67 HB THR 67 -31.193 18.088 -4.220 553 HG1 THR 67 HG1 THR 67 -29.773 16.098 -5.836 554 1HG2 THR 67 1HG2 THR 67 -29.030 18.717 -3.757 555 2HG2 THR 67 2HG2 THR 67 -28.480 17.026 -3.658 556 3HG2 THR 67 3HG2 THR 67 -28.604 17.831 -5.241 557 HA PRO 68 HA PRO 68 -34.554 14.484 -3.185 558 1HB PRO 68 1HB PRO 68 -36.299 16.313 -2.148 559 2HB PRO 68 2HB PRO 68 -35.402 15.177 -1.160 560 1HG PRO 68 1HG PRO 68 -34.945 18.074 -1.531 561 2HG PRO 68 2HG PRO 68 -34.356 17.024 -0.258 562 1HD PRO 68 1HD PRO 68 -32.860 18.015 -2.495 563 2HD PRO 68 2HD PRO 68 -32.305 16.874 -1.287 Start of MODEL 19 1 HA MET 1 HA MET 1 9.435 13.167 -13.777 2 1HB MET 1 1HB MET 1 10.021 10.404 -13.151 3 2HB MET 1 2HB MET 1 8.705 10.895 -12.104 4 1HG MET 1 1HG MET 1 7.681 11.931 -14.328 5 2HG MET 1 2HG MET 1 8.788 10.838 -15.134 6 1HE MET 1 1HE MET 1 7.501 7.376 -14.514 7 2HE MET 1 2HE MET 1 8.366 8.502 -15.587 8 3HE MET 1 3HE MET 1 8.986 8.179 -13.950 9 H ASP 2 H ASP 2 8.347 14.647 -12.553 10 HA ASP 2 HA ASP 2 9.039 14.775 -9.764 11 1HB ASP 2 1HB ASP 2 7.990 16.973 -9.809 12 2HB ASP 2 2HB ASP 2 9.022 16.826 -11.218 13 H ASP 3 H ASP 3 6.310 14.130 -11.997 14 HA ASP 3 HA ASP 3 4.164 14.393 -10.433 15 1HB ASP 3 1HB ASP 3 4.930 12.320 -12.504 16 2HB ASP 3 2HB ASP 3 3.398 12.156 -11.669 17 H ALA 4 H ALA 4 6.152 11.350 -10.801 18 HA ALA 4 HA ALA 4 5.000 10.364 -8.305 19 1HB ALA 4 1HB ALA 4 5.027 9.001 -10.459 20 2HB ALA 4 2HB ALA 4 6.796 8.914 -10.281 21 3HB ALA 4 3HB ALA 4 5.740 8.205 -9.036 22 H THR 5 H THR 5 6.325 9.722 -6.531 23 HA THR 5 HA THR 5 8.909 11.102 -6.513 24 HB THR 5 HB THR 5 6.738 10.460 -4.558 25 HG1 THR 5 HG1 THR 5 7.089 12.644 -4.682 26 1HG2 THR 5 1HG2 THR 5 8.740 11.017 -2.805 27 2HG2 THR 5 2HG2 THR 5 8.237 9.347 -3.158 28 3HG2 THR 5 3HG2 THR 5 9.662 10.039 -3.971 29 HA PRO 6 HA PRO 6 11.014 7.355 -6.651 30 1HB PRO 6 1HB PRO 6 13.502 8.213 -5.914 31 2HB PRO 6 2HB PRO 6 12.878 8.370 -7.544 32 1HG PRO 6 1HG PRO 6 13.200 10.456 -5.474 33 2HG PRO 6 2HG PRO 6 12.990 10.648 -7.204 34 1HD PRO 6 1HD PRO 6 10.999 11.049 -5.179 35 2HD PRO 6 2HD PRO 6 10.760 11.128 -6.913 36 H ALA 7 H ALA 7 11.197 5.563 -5.431 37 HA ALA 7 HA ALA 7 12.016 5.942 -2.689 38 1HB ALA 7 1HB ALA 7 9.986 4.898 -1.765 39 2HB ALA 7 2HB ALA 7 9.586 6.411 -2.614 40 3HB ALA 7 3HB ALA 7 9.264 4.842 -3.391 41 H GLU 8 H GLU 8 12.473 3.839 -1.635 42 HA GLU 8 HA GLU 8 12.967 1.824 -3.685 43 1HB GLU 8 1HB GLU 8 14.462 2.349 -1.078 44 2HB GLU 8 2HB GLU 8 14.826 1.044 -2.189 45 1HG GLU 8 1HG GLU 8 15.367 2.647 -3.979 46 2HG GLU 8 2HG GLU 8 14.851 3.993 -2.983 47 H VAL 9 H VAL 9 12.143 -0.245 -3.407 48 HA VAL 9 HA VAL 9 10.011 -0.666 -1.747 49 HB VAL 9 HB VAL 9 11.932 -2.764 -2.769 50 1HG1 VAL 9 1HG1 VAL 9 9.840 -3.188 -1.145 51 2HG1 VAL 9 2HG1 VAL 9 8.977 -3.163 -2.701 52 3HG1 VAL 9 3HG1 VAL 9 10.301 -4.324 -2.436 53 1HG2 VAL 9 1HG2 VAL 9 9.783 -2.514 -4.561 54 2HG2 VAL 9 2HG2 VAL 9 10.315 -0.848 -4.227 55 3HG2 VAL 9 3HG2 VAL 9 11.479 -2.049 -4.835 56 H ILE 10 H ILE 10 9.700 -1.260 0.366 57 HA ILE 10 HA ILE 10 12.150 -1.821 1.889 58 HB ILE 10 HB ILE 10 11.060 -0.762 3.794 59 1HG1 ILE 10 1HG1 ILE 10 8.880 0.198 1.935 60 2HG1 ILE 10 2HG1 ILE 10 8.702 -1.253 2.902 61 1HG2 ILE 10 1HG2 ILE 10 10.799 1.400 1.813 62 2HG2 ILE 10 2HG2 ILE 10 11.868 1.252 3.229 63 3HG2 ILE 10 3HG2 ILE 10 12.307 0.461 1.697 64 1HD1 ILE 10 1HD1 ILE 10 9.091 0.022 4.976 65 2HD1 ILE 10 2HD1 ILE 10 9.394 1.499 4.030 66 3HD1 ILE 10 3HD1 ILE 10 7.771 0.768 4.043 67 H GLU 11 H GLU 11 8.697 -2.579 1.296 68 HA GLU 11 HA GLU 11 9.208 -5.105 2.650 69 1HB GLU 11 1HB GLU 11 7.829 -4.097 4.249 70 2HB GLU 11 2HB GLU 11 6.935 -3.171 3.059 71 1HG GLU 11 1HG GLU 11 5.604 -5.029 2.412 72 2HG GLU 11 2HG GLU 11 6.752 -6.197 3.037 73 H VAL 12 H VAL 12 8.022 -6.948 1.774 74 HA VAL 12 HA VAL 12 6.934 -6.391 -0.900 75 HB VAL 12 HB VAL 12 8.419 -8.859 0.015 76 1HG1 VAL 12 1HG1 VAL 12 7.225 -9.627 -1.777 77 2HG1 VAL 12 2HG1 VAL 12 7.085 -8.016 -2.521 78 3HG1 VAL 12 3HG1 VAL 12 8.610 -8.926 -2.649 79 1HG2 VAL 12 1HG2 VAL 12 9.554 -6.815 -1.885 80 2HG2 VAL 12 2HG2 VAL 12 9.731 -6.611 -0.125 81 3HG2 VAL 12 3HG2 VAL 12 10.393 -8.057 -0.925 82 H LEU 13 H LEU 13 4.973 -7.350 -1.444 83 HA LEU 13 HA LEU 13 3.655 -8.711 0.793 84 1HB LEU 13 1HB LEU 13 2.207 -7.538 -1.547 85 2HB LEU 13 2HB LEU 13 1.641 -7.826 0.086 86 HG LEU 13 HG LEU 13 1.837 -5.580 0.220 87 1HD1 LEU 13 1HD1 LEU 13 4.778 -5.713 0.555 88 2HD1 LEU 13 2HD1 LEU 13 3.517 -5.088 1.645 89 3HD1 LEU 13 3HD1 LEU 13 3.819 -6.839 1.545 90 1HD2 LEU 13 1HD2 LEU 13 3.801 -4.380 -1.084 91 2HD2 LEU 13 2HD2 LEU 13 3.750 -5.871 -2.056 92 3HD2 LEU 13 3HD2 LEU 13 2.293 -4.861 -1.900 93 H LYS 14 H LYS 14 3.795 -10.886 0.617 94 HA LYS 14 HA LYS 14 3.160 -12.011 -2.011 95 1HB LYS 14 1HB LYS 14 5.725 -12.013 -0.956 96 2HB LYS 14 2HB LYS 14 5.108 -13.584 -0.484 97 1HG LYS 14 1HG LYS 14 6.052 -13.915 -2.658 98 2HG LYS 14 2HG LYS 14 4.319 -13.881 -2.916 99 1HD LYS 14 1HD LYS 14 4.833 -12.337 -4.532 100 2HD LYS 14 2HD LYS 14 4.868 -11.214 -3.188 101 1HE LYS 14 1HE LYS 14 6.940 -10.821 -4.266 102 2HE LYS 14 2HE LYS 14 7.382 -11.869 -2.932 103 1HZ LYS 14 1HZ LYS 14 7.638 -13.643 -4.331 104 2HZ LYS 14 2HZ LYS 14 6.669 -13.045 -5.501 105 3HZ LYS 14 3HZ LYS 14 8.165 -12.427 -5.284 106 H ARG 15 H ARG 15 1.615 -13.584 -1.943 107 HA ARG 15 HA ARG 15 1.024 -14.619 0.712 108 1HB ARG 15 1HB ARG 15 -0.677 -12.923 -0.161 109 2HB ARG 15 2HB ARG 15 -1.030 -14.026 -1.477 110 1HG ARG 15 1HG ARG 15 -2.541 -15.037 -0.121 111 2HG ARG 15 2HG ARG 15 -1.196 -15.649 0.822 112 1HD ARG 15 1HD ARG 15 -1.811 -12.838 1.478 113 2HD ARG 15 2HD ARG 15 -3.192 -13.887 1.730 114 HE ARG 15 HE ARG 15 -2.027 -15.014 3.452 115 1HH1 ARG 15 1HH1 ARG 15 0.129 -12.821 1.742 116 2HH1 ARG 15 2HH1 ARG 15 1.398 -12.950 2.915 117 1HH2 ARG 15 1HH2 ARG 15 -0.354 -15.185 4.999 118 2HH2 ARG 15 2HH2 ARG 15 1.121 -14.304 4.780 119 H THR 16 H THR 16 0.692 -16.871 0.833 120 HA THR 16 HA THR 16 1.355 -18.355 -1.562 121 HB THR 16 HB THR 16 0.983 -18.989 1.401 122 HG1 THR 16 HG1 THR 16 2.988 -18.015 0.677 123 1HG2 THR 16 1HG2 THR 16 1.841 -20.909 -0.825 124 2HG2 THR 16 2HG2 THR 16 1.725 -21.276 0.913 125 3HG2 THR 16 3HG2 THR 16 0.248 -20.969 -0.033 126 H GLY 17 H GLY 17 -0.124 -18.906 -3.024 127 1HA GLY 17 1HA GLY 17 -2.025 -20.428 -3.308 128 2HA GLY 17 2HA GLY 17 -2.830 -19.560 -2.016 129 H MET 18 H MET 18 -4.616 -18.967 -3.381 130 HA MET 18 HA MET 18 -5.688 -17.875 -4.953 131 1HB MET 18 1HB MET 18 -5.274 -15.428 -4.898 132 2HB MET 18 2HB MET 18 -5.078 -16.082 -3.284 133 1HG MET 18 1HG MET 18 -2.670 -16.002 -3.426 134 2HG MET 18 2HG MET 18 -2.700 -15.766 -5.162 135 1HE MET 18 1HE MET 18 -1.559 -13.825 -5.658 136 2HE MET 18 2HE MET 18 -1.645 -12.238 -4.856 137 3HE MET 18 3HE MET 18 -0.884 -13.616 -4.024 138 H THR 19 H THR 19 -5.035 -15.840 -6.815 139 HA THR 19 HA THR 19 -2.805 -16.895 -8.373 140 HB THR 19 HB THR 19 -5.654 -16.642 -9.468 141 HG1 THR 19 HG1 THR 19 -5.546 -18.980 -9.259 142 1HG2 THR 19 1HG2 THR 19 -3.351 -16.600 -10.927 143 2HG2 THR 19 2HG2 THR 19 -3.502 -18.357 -10.683 144 3HG2 THR 19 3HG2 THR 19 -4.811 -17.453 -11.483 145 H GLY 20 H GLY 20 -1.626 -15.022 -8.092 146 1HA GLY 20 1HA GLY 20 -2.936 -12.516 -8.923 147 2HA GLY 20 2HA GLY 20 -1.490 -12.664 -7.943 148 H GLU 21 H GLU 21 -2.622 -11.934 -11.024 149 HA GLU 21 HA GLU 21 -0.793 -13.192 -12.664 150 1HB GLU 21 1HB GLU 21 -2.861 -11.956 -13.395 151 2HB GLU 21 2HB GLU 21 -2.058 -10.440 -13.036 152 1HG GLU 21 1HG GLU 21 -0.254 -11.013 -14.681 153 2HG GLU 21 2HG GLU 21 -1.070 -12.521 -15.046 154 H VAL 22 H VAL 22 -0.683 -9.937 -11.061 155 HA VAL 22 HA VAL 22 2.207 -9.933 -11.602 156 HB VAL 22 HB VAL 22 0.171 -7.714 -11.475 157 1HG1 VAL 22 1HG1 VAL 22 3.106 -7.624 -10.933 158 2HG1 VAL 22 2HG1 VAL 22 2.414 -6.332 -11.943 159 3HG1 VAL 22 3HG1 VAL 22 1.789 -6.608 -10.299 160 1HG2 VAL 22 1HG2 VAL 22 1.219 -9.183 -13.594 161 2HG2 VAL 22 2HG2 VAL 22 0.383 -7.615 -13.702 162 3HG2 VAL 22 3HG2 VAL 22 2.160 -7.672 -13.614 163 H MET 23 H MET 23 3.616 -9.410 -9.883 164 HA MET 23 HA MET 23 2.437 -9.914 -7.317 165 1HB MET 23 1HB MET 23 4.536 -11.057 -7.923 166 2HB MET 23 2HB MET 23 5.309 -9.536 -8.322 167 1HG MET 23 1HG MET 23 4.278 -9.421 -5.594 168 2HG MET 23 2HG MET 23 5.274 -10.850 -5.786 169 1HE MET 23 1HE MET 23 8.669 -9.898 -6.029 170 2HE MET 23 2HE MET 23 7.380 -11.060 -6.422 171 3HE MET 23 3HE MET 23 7.988 -9.948 -7.672 172 H GLN 24 H GLN 24 2.399 -8.479 -5.541 173 HA GLN 24 HA GLN 24 2.924 -5.722 -6.303 174 1HB GLN 24 1HB GLN 24 1.293 -5.074 -4.641 175 2HB GLN 24 2HB GLN 24 0.590 -6.367 -5.591 176 1HG GLN 24 1HG GLN 24 1.972 -7.681 -3.490 177 2HG GLN 24 2HG GLN 24 1.205 -6.302 -2.727 178 1HE2 GLN 24 1HE2 GLN 24 -0.853 -6.414 -2.208 179 2HE2 GLN 24 2HE2 GLN 24 -1.995 -7.603 -2.738 180 H VAL 25 H VAL 25 4.254 -4.372 -5.024 181 HA VAL 25 HA VAL 25 5.568 -5.707 -2.765 182 HB VAL 25 HB VAL 25 6.841 -5.578 -5.028 183 1HG1 VAL 25 1HG1 VAL 25 7.583 -2.826 -4.043 184 2HG1 VAL 25 2HG1 VAL 25 7.884 -3.577 -5.628 185 3HG1 VAL 25 3HG1 VAL 25 6.239 -3.057 -5.188 186 1HG2 VAL 25 1HG2 VAL 25 7.920 -4.799 -2.315 187 2HG2 VAL 25 2HG2 VAL 25 7.999 -6.372 -3.144 188 3HG2 VAL 25 3HG2 VAL 25 8.988 -5.010 -3.723 189 H LYS 26 H LYS 26 6.473 -4.173 -1.160 190 HA LYS 26 HA LYS 26 4.870 -1.716 -1.147 191 1HB LYS 26 1HB LYS 26 4.644 -3.593 0.657 192 2HB LYS 26 2HB LYS 26 6.141 -2.942 1.291 193 1HG LYS 26 1HG LYS 26 4.873 -0.602 1.048 194 2HG LYS 26 2HG LYS 26 3.437 -1.606 1.072 195 1HD LYS 26 1HD LYS 26 5.624 -1.790 3.193 196 2HD LYS 26 2HD LYS 26 4.227 -0.744 3.354 197 1HE LYS 26 1HE LYS 26 2.791 -2.875 2.923 198 2HE LYS 26 2HE LYS 26 4.265 -3.785 3.188 199 1HZ LYS 26 1HZ LYS 26 3.631 -3.644 5.302 200 2HZ LYS 26 2HZ LYS 26 4.270 -2.142 5.271 201 3HZ LYS 26 3HZ LYS 26 2.663 -2.349 5.074 202 H CYS 27 H CYS 27 5.866 0.254 -1.146 203 HA CYS 27 HA CYS 27 8.719 0.285 -0.561 204 1HB CYS 27 1HB CYS 27 9.271 1.550 -2.526 205 2HB CYS 27 2HB CYS 27 8.459 0.082 -3.034 206 HG CYS 27 HG CYS 27 5.997 1.458 -2.784 207 H ARG 28 H ARG 28 9.132 1.938 0.878 208 HA ARG 28 HA ARG 28 6.972 3.790 1.326 209 1HB ARG 28 1HB ARG 28 7.945 2.637 3.289 210 2HB ARG 28 2HB ARG 28 9.545 3.227 2.884 211 1HG ARG 28 1HG ARG 28 7.754 5.496 3.006 212 2HG ARG 28 2HG ARG 28 7.513 4.533 4.450 213 1HD ARG 28 1HD ARG 28 10.370 4.934 3.670 214 2HD ARG 28 2HD ARG 28 9.525 6.390 4.154 215 HE ARG 28 HE ARG 28 8.955 4.277 6.028 216 1HH1 ARG 28 1HH1 ARG 28 11.528 6.478 5.067 217 2HH1 ARG 28 2HH1 ARG 28 12.279 6.485 6.628 218 1HH2 ARG 28 1HH2 ARG 28 9.946 4.286 8.088 219 2HH2 ARG 28 2HH2 ARG 28 11.373 5.230 8.358 220 H ILE 29 H ILE 29 7.178 6.064 1.066 221 HA ILE 29 HA ILE 29 8.828 7.013 -0.893 222 HB ILE 29 HB ILE 29 7.233 8.246 1.303 223 1HG1 ILE 29 1HG1 ILE 29 6.993 7.722 -1.568 224 2HG1 ILE 29 2HG1 ILE 29 5.751 7.950 -0.353 225 1HG2 ILE 29 1HG2 ILE 29 8.999 9.859 -0.558 226 2HG2 ILE 29 2HG2 ILE 29 7.832 10.492 0.627 227 3HG2 ILE 29 3HG2 ILE 29 9.281 9.622 1.184 228 1HD1 ILE 29 1HD1 ILE 29 6.005 10.391 -0.467 229 2HD1 ILE 29 2HD1 ILE 29 7.379 10.221 -1.585 230 3HD1 ILE 29 3HD1 ILE 29 5.744 9.748 -2.106 231 H LEU 30 H LEU 30 10.837 8.050 -0.999 232 HA LEU 30 HA LEU 30 12.459 7.682 1.417 233 1HB LEU 30 1HB LEU 30 13.039 7.514 -1.516 234 2HB LEU 30 2HB LEU 30 14.326 7.932 -0.402 235 HG LEU 30 HG LEU 30 12.713 5.376 -0.492 236 1HD1 LEU 30 1HD1 LEU 30 14.750 4.294 -1.016 237 2HD1 LEU 30 2HD1 LEU 30 14.667 5.732 -2.062 238 3HD1 LEU 30 3HD1 LEU 30 15.711 5.740 -0.620 239 1HD2 LEU 30 1HD2 LEU 30 14.493 6.436 1.699 240 2HD2 LEU 30 2HD2 LEU 30 12.857 5.745 1.814 241 3HD2 LEU 30 3HD2 LEU 30 14.244 4.691 1.448 242 H ASP 31 H ASP 31 11.229 9.972 -0.990 243 HA ASP 31 HA ASP 31 11.917 12.104 0.714 244 1HB ASP 31 1HB ASP 31 13.109 13.150 -1.553 245 2HB ASP 31 2HB ASP 31 13.977 12.540 -0.159 246 H GLY 32 H GLY 32 10.296 13.655 0.363 247 1HA GLY 32 1HA GLY 32 9.377 14.594 -2.056 248 2HA GLY 32 2HA GLY 32 8.359 13.217 -1.685 249 H ARG 33 H ARG 33 6.788 15.228 -1.714 250 HA ARG 33 HA ARG 33 6.877 16.997 0.411 251 1HB ARG 33 1HB ARG 33 5.488 17.563 -1.463 252 2HB ARG 33 2HB ARG 33 4.659 16.020 -1.429 253 1HG ARG 33 1HG ARG 33 3.262 17.902 -0.518 254 2HG ARG 33 2HG ARG 33 3.492 16.603 0.636 255 1HD ARG 33 1HD ARG 33 3.929 18.532 1.935 256 2HD ARG 33 2HD ARG 33 5.539 17.993 1.501 257 HE ARG 33 HE ARG 33 4.695 19.749 -0.556 258 1HH1 ARG 33 1HH1 ARG 33 5.391 19.901 2.890 259 2HH1 ARG 33 2HH1 ARG 33 5.871 21.565 2.850 260 1HH2 ARG 33 1HH2 ARG 33 5.328 21.944 -0.610 261 2HH2 ARG 33 2HH2 ARG 33 5.835 22.735 0.845 262 H ASP 34 H ASP 34 5.688 13.669 0.072 263 HA ASP 34 HA ASP 34 4.200 13.828 2.514 264 1HB ASP 34 1HB ASP 34 4.929 11.337 0.914 265 2HB ASP 34 2HB ASP 34 3.617 11.503 2.064 266 H LYS 35 H LYS 35 7.263 12.483 1.174 267 HA LYS 35 HA LYS 35 8.895 11.275 2.130 268 1HB LYS 35 1HB LYS 35 9.042 13.854 2.771 269 2HB LYS 35 2HB LYS 35 8.875 13.226 4.398 270 1HG LYS 35 1HG LYS 35 10.859 11.894 4.220 271 2HG LYS 35 2HG LYS 35 10.885 12.008 2.471 272 1HD LYS 35 1HD LYS 35 11.234 14.428 4.297 273 2HD LYS 35 2HD LYS 35 12.583 13.482 3.700 274 1HE LYS 35 1HE LYS 35 11.948 13.981 1.359 275 2HE LYS 35 2HE LYS 35 10.514 14.831 1.900 276 1HZ LYS 35 1HZ LYS 35 13.095 15.674 2.934 277 2HZ LYS 35 2HZ LYS 35 12.687 16.103 1.412 278 3HZ LYS 35 3HZ LYS 35 11.748 16.559 2.668 279 H GLY 36 H GLY 36 8.114 9.250 2.688 280 1HA GLY 36 1HA GLY 36 8.218 7.823 4.652 281 2HA GLY 36 2HA GLY 36 7.220 8.990 5.497 282 H ARG 37 H ARG 37 6.000 9.137 2.430 283 HA ARG 37 HA ARG 37 3.676 7.830 3.110 284 1HB ARG 37 1HB ARG 37 4.680 9.389 0.920 285 2HB ARG 37 2HB ARG 37 4.005 7.933 0.216 286 1HG ARG 37 1HG ARG 37 2.443 10.024 0.683 287 2HG ARG 37 2HG ARG 37 1.837 8.402 0.953 288 1HD ARG 37 1HD ARG 37 2.005 8.577 3.305 289 2HD ARG 37 2HD ARG 37 3.236 9.822 3.231 290 HE ARG 37 HE ARG 37 0.986 10.978 2.029 291 1HH1 ARG 37 1HH1 ARG 37 1.722 9.558 5.164 292 2HH1 ARG 37 2HH1 ARG 37 0.577 10.537 6.019 293 1HH2 ARG 37 1HH2 ARG 37 -0.524 12.270 3.157 294 2HH2 ARG 37 2HH2 ARG 37 -0.709 12.090 4.870 295 H ILE 38 H ILE 38 2.975 5.700 2.875 296 HA ILE 38 HA ILE 38 4.789 3.911 1.410 297 HB ILE 38 HB ILE 38 3.198 3.343 3.914 298 1HG1 ILE 38 1HG1 ILE 38 6.039 2.947 4.159 299 2HG1 ILE 38 2HG1 ILE 38 5.735 4.573 3.581 300 1HG2 ILE 38 1HG2 ILE 38 4.393 1.171 3.889 301 2HG2 ILE 38 2HG2 ILE 38 3.271 1.376 2.522 302 3HG2 ILE 38 3HG2 ILE 38 5.023 1.568 2.272 303 1HD1 ILE 38 1HD1 ILE 38 3.816 4.480 5.485 304 2HD1 ILE 38 2HD1 ILE 38 4.954 3.301 6.182 305 3HD1 ILE 38 3HD1 ILE 38 5.490 4.965 5.846 306 H LEU 39 H LEU 39 3.901 3.027 -0.372 307 HA LEU 39 HA LEU 39 1.051 2.427 -0.305 308 1HB LEU 39 1HB LEU 39 2.368 4.052 -2.485 309 2HB LEU 39 2HB LEU 39 0.734 3.419 -2.529 310 HG LEU 39 HG LEU 39 0.643 5.748 -1.983 311 1HD1 LEU 39 1HD1 LEU 39 0.058 5.052 0.738 312 2HD1 LEU 39 2HD1 LEU 39 -1.057 5.362 -0.614 313 3HD1 LEU 39 3HD1 LEU 39 -0.434 3.718 -0.334 314 1HD2 LEU 39 1HD2 LEU 39 3.067 5.292 -0.648 315 2HD2 LEU 39 2HD2 LEU 39 2.186 6.829 -0.811 316 3HD2 LEU 39 3HD2 LEU 39 1.914 5.794 0.611 317 H THR 40 H THR 40 0.433 0.870 -2.037 318 HA THR 40 HA THR 40 2.718 -0.883 -2.601 319 HB THR 40 HB THR 40 0.314 -2.240 -3.135 320 HG1 THR 40 HG1 THR 40 -0.812 -1.562 -1.040 321 1HG2 THR 40 1HG2 THR 40 2.448 -2.669 -1.483 322 2HG2 THR 40 2HG2 THR 40 1.238 -2.167 -0.278 323 3HG2 THR 40 3HG2 THR 40 0.921 -3.571 -1.326 324 H ARG 41 H ARG 41 3.393 -1.357 -4.623 325 HA ARG 41 HA ARG 41 1.769 -0.188 -6.740 326 1HB ARG 41 1HB ARG 41 4.674 -0.014 -6.136 327 2HB ARG 41 2HB ARG 41 4.340 -0.422 -7.807 328 1HG ARG 41 1HG ARG 41 4.356 1.948 -7.815 329 2HG ARG 41 2HG ARG 41 2.649 1.555 -7.782 330 1HD ARG 41 1HD ARG 41 3.855 1.740 -5.076 331 2HD ARG 41 2HD ARG 41 3.954 3.239 -5.979 332 HE ARG 41 HE ARG 41 1.560 2.083 -4.861 333 1HH1 ARG 41 1HH1 ARG 41 2.702 3.885 -7.660 334 2HH1 ARG 41 2HH1 ARG 41 1.166 4.623 -7.972 335 1HH2 ARG 41 1HH2 ARG 41 -0.467 3.056 -5.273 336 2HH2 ARG 41 2HH2 ARG 41 -0.648 4.148 -6.605 337 H ASN 42 H ASN 42 1.517 -1.440 -8.689 338 HA ASN 42 HA ASN 42 1.923 -4.236 -8.246 339 1HB ASN 42 1HB ASN 42 -0.131 -4.009 -9.303 340 2HB ASN 42 2HB ASN 42 0.322 -2.507 -10.085 341 1HD2 ASN 42 1HD2 ASN 42 -0.493 -5.613 -10.613 342 2HD2 ASN 42 2HD2 ASN 42 0.260 -5.922 -12.142 343 H VAL 43 H VAL 43 3.664 -5.381 -9.126 344 HA VAL 43 HA VAL 43 4.904 -4.358 -11.548 345 HB VAL 43 HB VAL 43 6.239 -3.254 -9.973 346 1HG1 VAL 43 1HG1 VAL 43 5.552 -4.178 -7.900 347 2HG1 VAL 43 2HG1 VAL 43 6.115 -5.806 -8.348 348 3HG1 VAL 43 3HG1 VAL 43 7.295 -4.513 -8.024 349 1HG2 VAL 43 1HG2 VAL 43 7.658 -4.257 -11.577 350 2HG2 VAL 43 2HG2 VAL 43 8.425 -4.580 -10.003 351 3HG2 VAL 43 3HG2 VAL 43 7.509 -5.865 -10.827 352 H MET 44 H MET 44 5.436 -6.007 -12.922 353 HA MET 44 HA MET 44 4.984 -8.666 -11.867 354 1HB MET 44 1HB MET 44 4.081 -7.428 -14.148 355 2HB MET 44 2HB MET 44 5.538 -8.161 -14.789 356 1HG MET 44 1HG MET 44 4.728 -10.378 -13.719 357 2HG MET 44 2HG MET 44 3.193 -9.578 -13.449 358 1HE MET 44 1HE MET 44 4.805 -11.961 -15.556 359 2HE MET 44 2HE MET 44 4.711 -11.424 -17.251 360 3HE MET 44 3HE MET 44 5.849 -10.638 -16.130 361 H GLY 45 H GLY 45 6.634 -10.103 -11.520 362 1HA GLY 45 1HA GLY 45 8.664 -11.049 -12.578 363 2HA GLY 45 2HA GLY 45 9.273 -9.409 -12.667 364 HA PRO 46 HA PRO 46 10.435 -11.273 -8.619 365 1HB PRO 46 1HB PRO 46 13.114 -11.639 -9.018 366 2HB PRO 46 2HB PRO 46 11.932 -12.919 -9.213 367 1HG PRO 46 1HG PRO 46 13.368 -11.388 -11.295 368 2HG PRO 46 2HG PRO 46 12.529 -12.919 -11.441 369 1HD PRO 46 1HD PRO 46 11.585 -10.355 -12.314 370 2HD PRO 46 2HD PRO 46 10.699 -11.867 -12.354 371 H ILE 47 H ILE 47 9.812 -9.280 -7.752 372 HA ILE 47 HA ILE 47 12.131 -7.491 -7.559 373 HB ILE 47 HB ILE 47 10.305 -6.720 -9.135 374 1HG1 ILE 47 1HG1 ILE 47 10.312 -4.504 -7.327 375 2HG1 ILE 47 2HG1 ILE 47 11.856 -5.320 -7.184 376 1HG2 ILE 47 1HG2 ILE 47 8.562 -7.493 -7.234 377 2HG2 ILE 47 2HG2 ILE 47 8.716 -5.770 -6.819 378 3HG2 ILE 47 3HG2 ILE 47 8.204 -6.249 -8.454 379 1HD1 ILE 47 1HD1 ILE 47 12.449 -4.911 -9.400 380 2HD1 ILE 47 2HD1 ILE 47 10.759 -4.878 -9.955 381 3HD1 ILE 47 3HD1 ILE 47 11.435 -3.484 -9.081 382 H ARG 48 H ARG 48 12.809 -7.228 -5.503 383 HA ARG 48 HA ARG 48 10.783 -7.568 -3.446 384 1HB ARG 48 1HB ARG 48 12.564 -8.672 -2.021 385 2HB ARG 48 2HB ARG 48 12.116 -9.614 -3.429 386 1HG ARG 48 1HG ARG 48 14.429 -7.666 -3.625 387 2HG ARG 48 2HG ARG 48 14.678 -9.218 -2.848 388 1HD ARG 48 1HD ARG 48 13.341 -10.002 -5.135 389 2HD ARG 48 2HD ARG 48 14.203 -8.596 -5.729 390 HE ARG 48 HE ARG 48 16.161 -9.944 -4.331 391 1HH1 ARG 48 1HH1 ARG 48 13.891 -10.923 -6.834 392 2HH1 ARG 48 2HH1 ARG 48 14.936 -12.143 -7.484 393 1HH2 ARG 48 1HH2 ARG 48 17.540 -11.552 -5.187 394 2HH2 ARG 48 2HH2 ARG 48 17.026 -12.503 -6.540 395 H GLU 49 H GLU 49 11.570 -6.578 -1.264 396 HA GLU 49 HA GLU 49 11.932 -3.996 -1.391 397 1HB GLU 49 1HB GLU 49 13.546 -4.574 0.804 398 2HB GLU 49 2HB GLU 49 11.797 -4.457 0.822 399 1HG GLU 49 1HG GLU 49 11.492 -6.773 0.808 400 2HG GLU 49 2HG GLU 49 12.979 -7.077 -0.067 401 H GLY 50 H GLY 50 13.516 -2.443 -1.787 402 1HA GLY 50 1HA GLY 50 15.898 -1.919 -1.699 403 2HA GLY 50 2HA GLY 50 16.213 -3.480 -2.429 404 H ASP 51 H ASP 51 13.610 -3.078 -4.117 405 HA ASP 51 HA ASP 51 14.984 -1.944 -6.309 406 1HB ASP 51 1HB ASP 51 12.526 -3.455 -5.803 407 2HB ASP 51 2HB ASP 51 12.216 -2.149 -6.930 408 H ILE 52 H ILE 52 14.053 -0.073 -7.616 409 HA ILE 52 HA ILE 52 12.891 1.910 -5.802 410 HB ILE 52 HB ILE 52 14.423 2.250 -8.383 411 1HG1 ILE 52 1HG1 ILE 52 15.647 3.364 -6.003 412 2HG1 ILE 52 2HG1 ILE 52 15.361 1.647 -5.797 413 1HG2 ILE 52 1HG2 ILE 52 13.705 4.430 -6.427 414 2HG2 ILE 52 2HG2 ILE 52 14.299 4.571 -8.099 415 3HG2 ILE 52 3HG2 ILE 52 12.644 3.995 -7.788 416 1HD1 ILE 52 1HD1 ILE 52 17.369 1.483 -6.911 417 2HD1 ILE 52 2HD1 ILE 52 16.324 1.621 -8.346 418 3HD1 ILE 52 3HD1 ILE 52 17.166 3.057 -7.718 419 H LEU 53 H LEU 53 10.864 2.706 -6.132 420 HA LEU 53 HA LEU 53 9.629 2.108 -8.722 421 1HB LEU 53 1HB LEU 53 7.825 1.962 -6.418 422 2HB LEU 53 2HB LEU 53 7.911 0.971 -7.861 423 HG LEU 53 HG LEU 53 9.688 0.700 -5.420 424 1HD1 LEU 53 1HD1 LEU 53 7.720 -1.372 -6.333 425 2HD1 LEU 53 2HD1 LEU 53 8.410 -1.085 -4.717 426 3HD1 LEU 53 3HD1 LEU 53 7.166 0.013 -5.362 427 1HD2 LEU 53 1HD2 LEU 53 9.797 -1.604 -7.068 428 2HD2 LEU 53 2HD2 LEU 53 10.082 -0.191 -8.112 429 3HD2 LEU 53 3HD2 LEU 53 11.100 -0.456 -6.675 430 H MET 54 H MET 54 7.682 3.519 -9.136 431 HA MET 54 HA MET 54 8.300 6.150 -8.084 432 1HB MET 54 1HB MET 54 6.689 5.146 -10.492 433 2HB MET 54 2HB MET 54 6.753 6.841 -10.050 434 1HG MET 54 1HG MET 54 9.432 5.569 -10.198 435 2HG MET 54 2HG MET 54 8.568 5.542 -11.723 436 1HE MET 54 1HE MET 54 9.618 7.526 -8.714 437 2HE MET 54 2HE MET 54 11.039 7.749 -9.762 438 3HE MET 54 3HE MET 54 10.020 9.144 -9.337 439 H LEU 55 H LEU 55 6.937 7.225 -6.699 440 HA LEU 55 HA LEU 55 4.409 5.888 -6.097 441 1HB LEU 55 1HB LEU 55 6.042 7.905 -4.552 442 2HB LEU 55 2HB LEU 55 4.484 7.287 -4.041 443 HG LEU 55 HG LEU 55 6.701 6.273 -3.095 444 1HD1 LEU 55 1HD1 LEU 55 4.092 5.437 -3.187 445 2HD1 LEU 55 2HD1 LEU 55 4.960 4.029 -3.846 446 3HD1 LEU 55 3HD1 LEU 55 5.392 4.671 -2.242 447 1HD2 LEU 55 1HD2 LEU 55 7.579 4.376 -4.303 448 2HD2 LEU 55 2HD2 LEU 55 6.416 4.631 -5.626 449 3HD2 LEU 55 3HD2 LEU 55 7.694 5.832 -5.321 450 H LEU 56 H LEU 56 2.700 6.618 -7.241 451 HA LEU 56 HA LEU 56 2.697 9.460 -7.953 452 1HB LEU 56 1HB LEU 56 2.595 7.724 -9.751 453 2HB LEU 56 2HB LEU 56 1.048 7.209 -9.107 454 HG LEU 56 HG LEU 56 0.933 8.720 -11.103 455 1HD1 LEU 56 1HD1 LEU 56 -1.132 9.100 -10.396 456 2HD1 LEU 56 2HD1 LEU 56 -0.628 8.723 -8.731 457 3HD1 LEU 56 3HD1 LEU 56 -0.550 10.399 -9.327 458 1HD2 LEU 56 1HD2 LEU 56 1.657 10.979 -9.239 459 2HD2 LEU 56 2HD2 LEU 56 2.866 10.172 -10.267 460 3HD2 LEU 56 3HD2 LEU 56 1.475 10.999 -11.010 461 H ASP 57 H ASP 57 1.007 10.818 -7.335 462 HA ASP 57 HA ASP 57 -0.187 10.289 -4.948 463 1HB ASP 57 1HB ASP 57 -1.815 12.174 -5.690 464 2HB ASP 57 2HB ASP 57 -0.107 12.557 -5.620 465 H THR 58 H THR 58 -1.943 8.980 -4.402 466 HA THR 58 HA THR 58 -3.372 7.613 -6.461 467 HB THR 58 HB THR 58 -2.636 6.786 -4.103 468 HG1 THR 58 HG1 THR 58 -4.733 5.573 -4.071 469 1HG2 THR 58 1HG2 THR 58 -4.093 8.919 -3.147 470 2HG2 THR 58 2HG2 THR 58 -5.341 7.650 -3.157 471 3HG2 THR 58 3HG2 THR 58 -3.841 7.416 -2.227 472 H ILE 59 H ILE 59 -5.306 8.012 -7.382 473 HA ILE 59 HA ILE 59 -6.675 10.418 -6.414 474 HB ILE 59 HB ILE 59 -6.658 9.103 -9.133 475 1HG1 ILE 59 1HG1 ILE 59 -4.580 10.195 -8.817 476 2HG1 ILE 59 2HG1 ILE 59 -5.559 11.266 -9.800 477 1HG2 ILE 59 1HG2 ILE 59 -8.385 10.360 -9.785 478 2HG2 ILE 59 2HG2 ILE 59 -8.736 10.538 -8.049 479 3HG2 ILE 59 3HG2 ILE 59 -7.803 11.792 -8.902 480 1HD1 ILE 59 1HD1 ILE 59 -4.651 12.726 -8.184 481 2HD1 ILE 59 2HD1 ILE 59 -6.261 12.363 -7.517 482 3HD1 ILE 59 3HD1 ILE 59 -4.824 11.534 -6.873 483 H ARG 60 H ARG 60 -8.871 10.362 -5.902 484 HA ARG 60 HA ARG 60 -9.801 7.859 -5.080 485 1HB ARG 60 1HB ARG 60 -11.971 9.209 -4.645 486 2HB ARG 60 2HB ARG 60 -10.530 9.750 -3.806 487 1HG ARG 60 1HG ARG 60 -10.740 10.998 -6.457 488 2HG ARG 60 2HG ARG 60 -12.180 11.297 -5.503 489 1HD ARG 60 1HD ARG 60 -10.431 11.862 -3.569 490 2HD ARG 60 2HD ARG 60 -9.316 12.081 -4.903 491 HE ARG 60 HE ARG 60 -11.596 13.518 -5.653 492 1HH1 ARG 60 1HH1 ARG 60 -9.370 13.575 -2.929 493 2HH1 ARG 60 2HH1 ARG 60 -9.579 15.268 -2.628 494 1HH2 ARG 60 1HH2 ARG 60 -11.872 15.752 -5.257 495 2HH2 ARG 60 2HH2 ARG 60 -11.012 16.514 -3.962 496 H GLU 61 H GLU 61 -11.821 6.762 -5.809 497 HA GLU 61 HA GLU 61 -12.189 7.181 -8.665 498 1HB GLU 61 1HB GLU 61 -12.165 4.788 -6.889 499 2HB GLU 61 2HB GLU 61 -13.392 4.766 -8.140 500 1HG GLU 61 1HG GLU 61 -11.613 5.277 -9.855 501 2HG GLU 61 2HG GLU 61 -10.402 5.214 -8.589 502 H ALA 62 H ALA 62 -14.250 7.564 -9.537 503 HA ALA 62 HA ALA 62 -16.273 8.248 -7.552 504 1HB ALA 62 1HB ALA 62 -16.847 9.899 -8.989 505 2HB ALA 62 2HB ALA 62 -15.309 9.536 -9.808 506 3HB ALA 62 3HB ALA 62 -16.822 8.805 -10.393 507 H LYS 63 H LYS 63 -18.061 7.008 -7.215 508 HA LYS 63 HA LYS 63 -18.261 4.543 -8.648 509 1HB LYS 63 1HB LYS 63 -18.663 4.721 -6.218 510 2HB LYS 63 2HB LYS 63 -20.045 5.757 -6.516 511 1HG LYS 63 1HG LYS 63 -21.242 3.809 -6.524 512 2HG LYS 63 2HG LYS 63 -20.653 3.639 -8.166 513 1HD LYS 63 1HD LYS 63 -18.869 2.661 -5.942 514 2HD LYS 63 2HD LYS 63 -20.296 1.712 -6.308 515 1HE LYS 63 1HE LYS 63 -19.281 2.231 -8.851 516 2HE LYS 63 2HE LYS 63 -17.817 2.079 -7.900 517 1HZ LYS 63 1HZ LYS 63 -18.543 -0.039 -7.141 518 2HZ LYS 63 2HZ LYS 63 -19.999 0.112 -7.864 519 3HZ LYS 63 3HZ LYS 63 -18.648 -0.030 -8.770 520 H GLU 64 H GLU 64 -19.360 4.178 -10.497 521 HA GLU 64 HA GLU 64 -21.171 6.288 -11.332 522 1HB GLU 64 1HB GLU 64 -19.116 5.194 -12.710 523 2HB GLU 64 2HB GLU 64 -20.371 4.070 -13.191 524 1HG GLU 64 1HG GLU 64 -21.756 6.359 -13.576 525 2HG GLU 64 2HG GLU 64 -20.143 7.020 -13.754 526 H ILE 65 H ILE 65 -23.313 5.784 -12.129 527 HA ILE 65 HA ILE 65 -24.365 3.366 -10.903 528 HB ILE 65 HB ILE 65 -25.621 5.891 -11.962 529 1HG1 ILE 65 1HG1 ILE 65 -26.426 5.465 -9.348 530 2HG1 ILE 65 2HG1 ILE 65 -24.766 4.905 -9.334 531 1HG2 ILE 65 1HG2 ILE 65 -26.947 3.333 -11.051 532 2HG2 ILE 65 2HG2 ILE 65 -27.772 4.910 -11.060 533 3HG2 ILE 65 3HG2 ILE 65 -27.169 4.212 -12.582 534 1HD1 ILE 65 1HD1 ILE 65 -25.060 7.386 -8.851 535 2HD1 ILE 65 2HD1 ILE 65 -23.945 7.020 -10.189 536 3HD1 ILE 65 3HD1 ILE 65 -25.598 7.581 -10.537 537 H ARG 66 H ARG 66 -24.857 1.570 -12.049 538 HA ARG 66 HA ARG 66 -24.616 1.806 -14.913 539 1HB ARG 66 1HB ARG 66 -23.524 -0.025 -13.284 540 2HB ARG 66 2HB ARG 66 -25.072 -0.823 -13.480 541 1HG ARG 66 1HG ARG 66 -24.793 -0.728 -15.974 542 2HG ARG 66 2HG ARG 66 -23.231 0.039 -15.762 543 1HD ARG 66 1HD ARG 66 -22.507 -2.157 -15.918 544 2HD ARG 66 2HD ARG 66 -22.789 -2.109 -14.189 545 HE ARG 66 HE ARG 66 -25.240 -2.820 -15.494 546 1HH1 ARG 66 1HH1 ARG 66 -22.056 -4.151 -14.804 547 2HH1 ARG 66 2HH1 ARG 66 -22.600 -5.795 -14.816 548 1HH2 ARG 66 1HH2 ARG 66 -25.958 -4.990 -15.510 549 2HH2 ARG 66 2HH2 ARG 66 -24.835 -6.276 -15.221 550 H THR 67 H THR 67 -26.307 1.190 -16.371 551 HA THR 67 HA THR 67 -28.891 0.593 -15.088 552 HB THR 67 HB THR 67 -29.913 2.122 -16.769 553 HG1 THR 67 HG1 THR 67 -27.090 2.646 -17.368 554 1HG2 THR 67 1HG2 THR 67 -29.311 4.150 -15.766 555 2HG2 THR 67 2HG2 THR 67 -28.635 3.028 -14.561 556 3HG2 THR 67 3HG2 THR 67 -27.575 3.758 -15.790 557 HA PRO 68 HA PRO 68 -29.063 -2.696 -17.841 558 1HB PRO 68 1HB PRO 68 -31.738 -3.255 -17.793 559 2HB PRO 68 2HB PRO 68 -30.627 -3.780 -16.544 560 1HG PRO 68 1HG PRO 68 -32.619 -1.599 -16.453 561 2HG PRO 68 2HG PRO 68 -31.817 -2.409 -15.122 562 1HD PRO 68 1HD PRO 68 -31.213 0.196 -16.160 563 2HD PRO 68 2HD PRO 68 -30.338 -0.662 -14.908 Start of MODEL 20 1 HA MET 1 HA MET 1 3.645 18.075 -5.928 2 1HB MET 1 1HB MET 1 3.739 20.060 -7.676 3 2HB MET 1 2HB MET 1 2.798 19.005 -8.712 4 1HG MET 1 1HG MET 1 1.155 20.290 -7.562 5 2HG MET 1 2HG MET 1 1.156 18.757 -6.713 6 1HE MET 1 1HE MET 1 0.428 19.947 -3.889 7 2HE MET 1 2HE MET 1 1.053 18.500 -4.716 8 3HE MET 1 3HE MET 1 1.983 19.239 -3.390 9 H ASP 2 H ASP 2 3.509 17.093 -9.434 10 HA ASP 2 HA ASP 2 1.715 14.965 -8.600 11 1HB ASP 2 1HB ASP 2 1.597 16.784 -10.725 12 2HB ASP 2 2HB ASP 2 2.196 15.331 -11.500 13 H ASP 3 H ASP 3 4.789 15.802 -10.247 14 HA ASP 3 HA ASP 3 5.473 13.603 -11.545 15 1HB ASP 3 1HB ASP 3 7.401 14.844 -9.545 16 2HB ASP 3 2HB ASP 3 7.782 14.159 -11.112 17 H ALA 4 H ALA 4 6.989 11.724 -10.853 18 HA ALA 4 HA ALA 4 5.910 10.539 -8.442 19 1HB ALA 4 1HB ALA 4 5.908 9.036 -10.237 20 2HB ALA 4 2HB ALA 4 7.487 9.597 -10.839 21 3HB ALA 4 3HB ALA 4 7.399 8.592 -9.372 22 H THR 5 H THR 5 7.171 9.856 -6.648 23 HA THR 5 HA THR 5 9.702 11.321 -6.423 24 HB THR 5 HB THR 5 7.392 10.904 -4.737 25 HG1 THR 5 HG1 THR 5 10.033 12.005 -4.129 26 1HG2 THR 5 1HG2 THR 5 8.466 10.204 -2.658 27 2HG2 THR 5 2HG2 THR 5 8.755 8.919 -3.855 28 3HG2 THR 5 3HG2 THR 5 10.049 10.077 -3.463 29 HA PRO 6 HA PRO 6 11.921 7.643 -6.579 30 1HB PRO 6 1HB PRO 6 14.322 8.515 -5.608 31 2HB PRO 6 2HB PRO 6 13.818 8.750 -7.269 32 1HG PRO 6 1HG PRO 6 13.926 10.722 -5.070 33 2HG PRO 6 2HG PRO 6 13.842 11.007 -6.797 34 1HD PRO 6 1HD PRO 6 11.693 11.246 -4.911 35 2HD PRO 6 2HD PRO 6 11.584 11.418 -6.652 36 H ALA 7 H ALA 7 11.373 5.931 -5.392 37 HA ALA 7 HA ALA 7 12.223 6.100 -2.594 38 1HB ALA 7 1HB ALA 7 9.493 5.305 -3.668 39 2HB ALA 7 2HB ALA 7 10.057 4.884 -2.033 40 3HB ALA 7 3HB ALA 7 9.878 6.592 -2.500 41 H GLU 8 H GLU 8 12.562 3.946 -1.611 42 HA GLU 8 HA GLU 8 13.110 1.983 -3.700 43 1HB GLU 8 1HB GLU 8 14.595 2.525 -1.093 44 2HB GLU 8 2HB GLU 8 14.911 1.138 -2.117 45 1HG GLU 8 1HG GLU 8 15.198 2.919 -4.042 46 2HG GLU 8 2HG GLU 8 15.362 4.076 -2.736 47 H VAL 9 H VAL 9 12.241 -0.071 -3.469 48 HA VAL 9 HA VAL 9 10.092 -0.484 -1.824 49 HB VAL 9 HB VAL 9 11.975 -2.583 -2.914 50 1HG1 VAL 9 1HG1 VAL 9 10.341 -4.139 -2.585 51 2HG1 VAL 9 2HG1 VAL 9 9.902 -3.027 -1.266 52 3HG1 VAL 9 3HG1 VAL 9 9.021 -2.966 -2.812 53 1HG2 VAL 9 1HG2 VAL 9 10.114 -0.713 -4.264 54 2HG2 VAL 9 2HG2 VAL 9 11.542 -1.570 -4.891 55 3HG2 VAL 9 3HG2 VAL 9 9.983 -2.419 -4.754 56 H ILE 10 H ILE 10 9.766 -1.115 0.274 57 HA ILE 10 HA ILE 10 12.202 -1.759 1.787 58 HB ILE 10 HB ILE 10 11.136 -0.729 3.713 59 1HG1 ILE 10 1HG1 ILE 10 8.945 0.306 1.913 60 2HG1 ILE 10 2HG1 ILE 10 8.766 -1.194 2.801 61 1HG2 ILE 10 1HG2 ILE 10 12.515 0.531 1.883 62 2HG2 ILE 10 2HG2 ILE 10 10.965 1.340 1.548 63 3HG2 ILE 10 3HG2 ILE 10 11.689 1.440 3.171 64 1HD1 ILE 10 1HD1 ILE 10 9.061 -0.077 4.934 65 2HD1 ILE 10 2HD1 ILE 10 9.559 1.433 4.133 66 3HD1 ILE 10 3HD1 ILE 10 7.876 0.868 3.999 67 H GLU 11 H GLU 11 8.745 -2.460 1.156 68 HA GLU 11 HA GLU 11 9.211 -5.015 2.475 69 1HB GLU 11 1HB GLU 11 7.800 -3.973 4.042 70 2HB GLU 11 2HB GLU 11 6.910 -3.091 2.817 71 1HG GLU 11 1HG GLU 11 5.462 -4.859 3.624 72 2HG GLU 11 2HG GLU 11 5.950 -5.289 1.997 73 H VAL 12 H VAL 12 8.046 -6.840 1.542 74 HA VAL 12 HA VAL 12 6.971 -6.241 -1.127 75 HB VAL 12 HB VAL 12 8.454 -8.757 -0.395 76 1HG1 VAL 12 1HG1 VAL 12 7.131 -7.701 -2.762 77 2HG1 VAL 12 2HG1 VAL 12 8.833 -8.108 -3.089 78 3HG1 VAL 12 3HG1 VAL 12 7.734 -9.343 -2.429 79 1HG2 VAL 12 1HG2 VAL 12 10.507 -7.850 -1.216 80 2HG2 VAL 12 2HG2 VAL 12 9.712 -6.341 -1.726 81 3HG2 VAL 12 3HG2 VAL 12 9.886 -6.714 0.006 82 H LEU 13 H LEU 13 4.985 -7.111 -1.602 83 HA LEU 13 HA LEU 13 3.846 -8.827 0.492 84 1HB LEU 13 1HB LEU 13 2.062 -7.398 -1.381 85 2HB LEU 13 2HB LEU 13 1.875 -7.743 0.327 86 HG LEU 13 HG LEU 13 2.099 -5.483 0.428 87 1HD1 LEU 13 1HD1 LEU 13 4.278 -6.847 1.336 88 2HD1 LEU 13 2HD1 LEU 13 5.039 -5.618 0.298 89 3HD1 LEU 13 3HD1 LEU 13 3.962 -5.119 1.624 90 1HD2 LEU 13 1HD2 LEU 13 3.797 -5.702 -2.054 91 2HD2 LEU 13 2HD2 LEU 13 2.225 -4.897 -1.834 92 3HD2 LEU 13 3HD2 LEU 13 3.693 -4.195 -1.113 93 H LYS 14 H LYS 14 4.108 -10.914 -0.156 94 HA LYS 14 HA LYS 14 3.032 -11.561 -2.793 95 1HB LYS 14 1HB LYS 14 4.880 -12.995 -3.335 96 2HB LYS 14 2HB LYS 14 5.496 -11.389 -3.002 97 1HG LYS 14 1HG LYS 14 5.420 -12.835 -0.504 98 2HG LYS 14 2HG LYS 14 6.177 -13.872 -1.697 99 1HD LYS 14 1HD LYS 14 7.216 -11.204 -2.070 100 2HD LYS 14 2HD LYS 14 7.296 -11.572 -0.358 101 1HE LYS 14 1HE LYS 14 8.259 -13.918 -1.249 102 2HE LYS 14 2HE LYS 14 8.657 -12.967 -2.666 103 1HZ LYS 14 1HZ LYS 14 9.610 -12.621 0.067 104 2HZ LYS 14 2HZ LYS 14 10.473 -12.716 -1.317 105 3HZ LYS 14 3HZ LYS 14 9.636 -11.358 -0.967 106 H ARG 15 H ARG 15 2.459 -13.922 -2.957 107 HA ARG 15 HA ARG 15 1.908 -14.965 -0.297 108 1HB ARG 15 1HB ARG 15 0.003 -14.083 -2.207 109 2HB ARG 15 2HB ARG 15 -0.040 -15.831 -2.322 110 1HG ARG 15 1HG ARG 15 -0.460 -16.044 0.086 111 2HG ARG 15 2HG ARG 15 -0.216 -14.326 0.328 112 1HD ARG 15 1HD ARG 15 -2.225 -13.771 -0.928 113 2HD ARG 15 2HD ARG 15 -2.392 -15.415 -1.512 114 HE ARG 15 HE ARG 15 -3.380 -16.021 0.525 115 1HH1 ARG 15 1HH1 ARG 15 -1.745 -12.928 0.904 116 2HH1 ARG 15 2HH1 ARG 15 -2.379 -12.643 2.490 117 1HH2 ARG 15 1HH2 ARG 15 -4.217 -15.645 2.617 118 2HH2 ARG 15 2HH2 ARG 15 -3.795 -14.198 3.471 119 H THR 16 H THR 16 2.913 -16.933 -0.022 120 HA THR 16 HA THR 16 4.133 -18.739 -0.575 121 HB THR 16 HB THR 16 2.706 -20.455 -1.674 122 HG1 THR 16 HG1 THR 16 1.727 -19.368 -3.387 123 1HG2 THR 16 1HG2 THR 16 1.893 -20.009 0.565 124 2HG2 THR 16 2HG2 THR 16 1.215 -18.438 0.073 125 3HG2 THR 16 3HG2 THR 16 0.460 -19.949 -0.489 126 H GLY 17 H GLY 17 4.309 -20.339 -2.895 127 1HA GLY 17 1HA GLY 17 6.357 -19.078 -4.273 128 2HA GLY 17 2HA GLY 17 5.466 -20.486 -4.814 129 H MET 18 H MET 18 6.049 -19.258 -6.956 130 HA MET 18 HA MET 18 4.771 -16.902 -7.588 131 1HB MET 18 1HB MET 18 6.580 -18.485 -8.822 132 2HB MET 18 2HB MET 18 5.162 -19.094 -9.653 133 1HG MET 18 1HG MET 18 4.860 -17.148 -10.854 134 2HG MET 18 2HG MET 18 5.299 -16.121 -9.503 135 1HE MET 18 1HE MET 18 7.656 -15.960 -12.924 136 2HE MET 18 2HE MET 18 6.520 -17.330 -12.958 137 3HE MET 18 3HE MET 18 5.959 -15.722 -12.443 138 H THR 19 H THR 19 2.582 -16.649 -7.193 139 HA THR 19 HA THR 19 0.814 -18.442 -8.693 140 HB THR 19 HB THR 19 0.994 -19.157 -6.247 141 HG1 THR 19 HG1 THR 19 -0.957 -19.429 -7.581 142 1HG2 THR 19 1HG2 THR 19 0.410 -17.740 -4.511 143 2HG2 THR 19 2HG2 THR 19 0.937 -16.468 -5.639 144 3HG2 THR 19 3HG2 THR 19 -0.791 -16.876 -5.500 145 H GLY 20 H GLY 20 -1.388 -17.500 -9.002 146 1HA GLY 20 1HA GLY 20 -2.803 -15.729 -9.304 147 2HA GLY 20 2HA GLY 20 -1.611 -14.636 -8.629 148 H GLU 21 H GLU 21 -0.983 -13.122 -10.098 149 HA GLU 21 HA GLU 21 -0.193 -14.091 -12.701 150 1HB GLU 21 1HB GLU 21 -2.600 -13.319 -12.861 151 2HB GLU 21 2HB GLU 21 -2.079 -11.716 -12.380 152 1HG GLU 21 1HG GLU 21 -0.561 -11.603 -14.358 153 2HG GLU 21 2HG GLU 21 -1.046 -13.219 -14.832 154 H VAL 22 H VAL 22 -0.701 -10.998 -10.840 155 HA VAL 22 HA VAL 22 2.101 -10.358 -11.458 156 HB VAL 22 HB VAL 22 -0.376 -8.652 -11.333 157 1HG1 VAL 22 1HG1 VAL 22 2.497 -7.669 -11.251 158 2HG1 VAL 22 2HG1 VAL 22 1.048 -6.654 -11.440 159 3HG1 VAL 22 3HG1 VAL 22 1.313 -7.555 -9.928 160 1HG2 VAL 22 1HG2 VAL 22 1.667 -9.388 -13.399 161 2HG2 VAL 22 2HG2 VAL 22 -0.104 -9.268 -13.533 162 3HG2 VAL 22 3HG2 VAL 22 0.888 -7.791 -13.495 163 H MET 23 H MET 23 3.410 -9.614 -9.764 164 HA MET 23 HA MET 23 2.245 -10.108 -7.154 165 1HB MET 23 1HB MET 23 4.289 -11.361 -7.612 166 2HB MET 23 2HB MET 23 5.100 -9.940 -8.241 167 1HG MET 23 1HG MET 23 4.171 -9.452 -5.506 168 2HG MET 23 2HG MET 23 5.157 -10.900 -5.565 169 1HE MET 23 1HE MET 23 7.732 -10.562 -7.374 170 2HE MET 23 2HE MET 23 8.597 -9.855 -5.989 171 3HE MET 23 3HE MET 23 7.348 -11.094 -5.719 172 H GLN 24 H GLN 24 2.325 -8.573 -5.448 173 HA GLN 24 HA GLN 24 2.870 -5.880 -6.404 174 1HB GLN 24 1HB GLN 24 1.219 -5.091 -4.925 175 2HB GLN 24 2HB GLN 24 0.552 -6.617 -5.468 176 1HG GLN 24 1HG GLN 24 1.117 -7.733 -3.431 177 2HG GLN 24 2HG GLN 24 2.271 -6.500 -2.967 178 1HE2 GLN 24 1HE2 GLN 24 0.026 -7.568 -1.491 179 2HE2 GLN 24 2HE2 GLN 24 -1.029 -6.251 -1.099 180 H VAL 25 H VAL 25 4.112 -4.397 -5.091 181 HA VAL 25 HA VAL 25 5.580 -5.683 -2.903 182 HB VAL 25 HB VAL 25 6.749 -5.500 -5.231 183 1HG1 VAL 25 1HG1 VAL 25 6.130 -3.062 -5.472 184 2HG1 VAL 25 2HG1 VAL 25 7.303 -2.711 -4.181 185 3HG1 VAL 25 3HG1 VAL 25 7.853 -3.436 -5.710 186 1HG2 VAL 25 1HG2 VAL 25 8.889 -4.662 -3.818 187 2HG2 VAL 25 2HG2 VAL 25 7.771 -5.020 -2.480 188 3HG2 VAL 25 3HG2 VAL 25 8.186 -6.289 -3.657 189 H LYS 26 H LYS 26 6.519 -4.092 -1.358 190 HA LYS 26 HA LYS 26 4.860 -1.669 -1.321 191 1HB LYS 26 1HB LYS 26 4.646 -3.563 0.480 192 2HB LYS 26 2HB LYS 26 6.117 -2.869 1.132 193 1HG LYS 26 1HG LYS 26 4.680 -0.577 0.738 194 2HG LYS 26 2HG LYS 26 3.360 -1.701 0.997 195 1HD LYS 26 1HD LYS 26 5.749 -1.506 2.884 196 2HD LYS 26 2HD LYS 26 4.295 -0.553 3.100 197 1HE LYS 26 1HE LYS 26 3.785 -3.455 2.677 198 2HE LYS 26 2HE LYS 26 4.692 -3.097 4.133 199 1HZ LYS 26 1HZ LYS 26 1.986 -2.739 3.690 200 2HZ LYS 26 2HZ LYS 26 2.830 -2.417 5.050 201 3HZ LYS 26 3HZ LYS 26 2.628 -1.255 3.920 202 H CYS 27 H CYS 27 5.844 0.319 -1.199 203 HA CYS 27 HA CYS 27 8.710 0.326 -0.680 204 1HB CYS 27 1HB CYS 27 9.270 1.568 -2.607 205 2HB CYS 27 2HB CYS 27 8.270 0.249 -3.184 206 HG CYS 27 HG CYS 27 6.816 1.665 -4.397 207 H ARG 28 H ARG 28 9.298 2.088 0.609 208 HA ARG 28 HA ARG 28 7.099 3.835 1.307 209 1HB ARG 28 1HB ARG 28 8.224 2.640 3.169 210 2HB ARG 28 2HB ARG 28 9.776 3.295 2.688 211 1HG ARG 28 1HG ARG 28 7.764 5.416 3.060 212 2HG ARG 28 2HG ARG 28 7.967 4.453 4.509 213 1HD ARG 28 1HD ARG 28 10.438 5.397 3.036 214 2HD ARG 28 2HD ARG 28 9.560 6.543 4.029 215 HE ARG 28 HE ARG 28 11.277 4.469 4.998 216 1HH1 ARG 28 1HH1 ARG 28 8.163 5.942 5.717 217 2HH1 ARG 28 2HH1 ARG 28 8.233 5.568 7.407 218 1HH2 ARG 28 1HH2 ARG 28 11.370 3.976 7.227 219 2HH2 ARG 28 2HH2 ARG 28 10.069 4.442 8.272 220 H ILE 29 H ILE 29 7.257 6.121 1.107 221 HA ILE 29 HA ILE 29 8.857 7.114 -0.916 222 HB ILE 29 HB ILE 29 7.165 8.289 1.241 223 1HG1 ILE 29 1HG1 ILE 29 7.056 7.875 -1.702 224 2HG1 ILE 29 2HG1 ILE 29 5.801 7.706 -0.491 225 1HG2 ILE 29 1HG2 ILE 29 7.653 10.547 0.566 226 2HG2 ILE 29 2HG2 ILE 29 9.160 9.760 1.092 227 3HG2 ILE 29 3HG2 ILE 29 8.829 9.979 -0.643 228 1HD1 ILE 29 1HD1 ILE 29 5.550 10.137 -0.314 229 2HD1 ILE 29 2HD1 ILE 29 6.942 10.390 -1.394 230 3HD1 ILE 29 3HD1 ILE 29 5.444 9.668 -2.028 231 H LEU 30 H LEU 30 10.855 8.115 -1.023 232 HA LEU 30 HA LEU 30 12.400 7.982 1.467 233 1HB LEU 30 1HB LEU 30 13.163 7.693 -1.431 234 2HB LEU 30 2HB LEU 30 14.353 8.032 -0.190 235 HG LEU 30 HG LEU 30 12.527 5.612 -0.233 236 1HD1 LEU 30 1HD1 LEU 30 15.370 6.017 -1.153 237 2HD1 LEU 30 2HD1 LEU 30 14.759 4.419 -0.660 238 3HD1 LEU 30 3HD1 LEU 30 14.000 5.281 -2.020 239 1HD2 LEU 30 1HD2 LEU 30 14.656 6.544 1.681 240 2HD2 LEU 30 2HD2 LEU 30 13.011 5.951 2.016 241 3HD2 LEU 30 3HD2 LEU 30 14.277 4.815 1.493 242 H ASP 31 H ASP 31 10.840 10.080 -0.759 243 HA ASP 31 HA ASP 31 11.878 12.312 0.627 244 1HB ASP 31 1HB ASP 31 12.475 12.045 -2.358 245 2HB ASP 31 2HB ASP 31 12.745 13.492 -1.407 246 H GLY 32 H GLY 32 10.585 14.280 0.062 247 1HA GLY 32 1HA GLY 32 8.962 15.131 -1.642 248 2HA GLY 32 2HA GLY 32 8.134 13.599 -1.448 249 H ARG 33 H ARG 33 6.779 16.008 -0.960 250 HA ARG 33 HA ARG 33 6.933 16.873 1.652 251 1HB ARG 33 1HB ARG 33 4.800 17.968 1.220 252 2HB ARG 33 2HB ARG 33 5.724 18.015 -0.269 253 1HG ARG 33 1HG ARG 33 3.958 15.620 0.121 254 2HG ARG 33 2HG ARG 33 3.142 17.149 -0.144 255 1HD ARG 33 1HD ARG 33 5.171 15.795 -1.974 256 2HD ARG 33 2HD ARG 33 3.488 16.138 -2.322 257 HE ARG 33 HE ARG 33 4.592 18.639 -1.761 258 1HH1 ARG 33 1HH1 ARG 33 5.290 16.059 -4.050 259 2HH1 ARG 33 2HH1 ARG 33 5.930 17.127 -5.254 260 1HH2 ARG 33 1HH2 ARG 33 5.437 20.048 -3.349 261 2HH2 ARG 33 2HH2 ARG 33 6.014 19.411 -4.853 262 H ASP 34 H ASP 34 5.734 13.914 0.287 263 HA ASP 34 HA ASP 34 4.002 13.452 2.558 264 1HB ASP 34 1HB ASP 34 4.536 11.835 0.023 265 2HB ASP 34 2HB ASP 34 3.433 11.324 1.285 266 H LYS 35 H LYS 35 7.204 13.403 2.112 267 HA LYS 35 HA LYS 35 8.476 11.172 2.230 268 1HB LYS 35 1HB LYS 35 8.952 13.650 3.272 269 2HB LYS 35 2HB LYS 35 8.954 12.680 4.731 270 1HG LYS 35 1HG LYS 35 10.689 11.218 3.871 271 2HG LYS 35 2HG LYS 35 10.536 11.875 2.253 272 1HD LYS 35 1HD LYS 35 11.665 13.256 4.721 273 2HD LYS 35 2HD LYS 35 12.500 12.887 3.226 274 1HE LYS 35 1HE LYS 35 10.556 14.424 2.169 275 2HE LYS 35 2HE LYS 35 10.502 15.075 3.795 276 1HZ LYS 35 1HZ LYS 35 13.135 14.964 3.251 277 2HZ LYS 35 2HZ LYS 35 12.502 15.392 1.808 278 3HZ LYS 35 3HZ LYS 35 12.202 16.299 3.133 279 H GLY 36 H GLY 36 8.505 9.184 3.189 280 1HA GLY 36 1HA GLY 36 8.178 7.679 4.914 281 2HA GLY 36 2HA GLY 36 7.140 8.820 5.744 282 H ARG 37 H ARG 37 5.968 9.175 2.733 283 HA ARG 37 HA ARG 37 3.693 7.696 3.254 284 1HB ARG 37 1HB ARG 37 4.527 9.643 1.378 285 2HB ARG 37 2HB ARG 37 4.106 8.258 0.389 286 1HG ARG 37 1HG ARG 37 1.969 8.225 2.070 287 2HG ARG 37 2HG ARG 37 2.352 9.932 2.165 288 1HD ARG 37 1HD ARG 37 2.272 10.087 -0.338 289 2HD ARG 37 2HD ARG 37 1.883 8.381 -0.429 290 HE ARG 37 HE ARG 37 0.076 10.549 0.382 291 1HH1 ARG 37 1HH1 ARG 37 0.668 7.081 0.481 292 2HH1 ARG 37 2HH1 ARG 37 -0.993 6.676 0.755 293 1HH2 ARG 37 1HH2 ARG 37 -2.116 10.015 0.745 294 2HH2 ARG 37 2HH2 ARG 37 -2.587 8.356 0.907 295 H ILE 38 H ILE 38 3.127 5.572 2.783 296 HA ILE 38 HA ILE 38 4.996 4.096 1.060 297 HB ILE 38 HB ILE 38 3.464 3.112 3.470 298 1HG1 ILE 38 1HG1 ILE 38 6.335 2.860 3.633 299 2HG1 ILE 38 2HG1 ILE 38 5.908 4.530 3.319 300 1HG2 ILE 38 1HG2 ILE 38 4.927 1.730 1.294 301 2HG2 ILE 38 2HG2 ILE 38 5.259 1.172 2.951 302 3HG2 ILE 38 3HG2 ILE 38 3.591 1.169 2.328 303 1HD1 ILE 38 1HD1 ILE 38 4.931 4.804 5.372 304 2HD1 ILE 38 2HD1 ILE 38 4.174 3.194 5.333 305 3HD1 ILE 38 3HD1 ILE 38 5.880 3.364 5.812 306 H LEU 39 H LEU 39 4.139 3.339 -0.798 307 HA LEU 39 HA LEU 39 1.227 2.954 -0.835 308 1HB LEU 39 1HB LEU 39 2.981 4.127 -2.997 309 2HB LEU 39 2HB LEU 39 1.298 3.684 -3.204 310 HG LEU 39 HG LEU 39 0.775 5.325 -1.313 311 1HD1 LEU 39 1HD1 LEU 39 2.429 6.329 -0.234 312 2HD1 LEU 39 2HD1 LEU 39 3.620 5.488 -1.255 313 3HD1 LEU 39 3HD1 LEU 39 2.980 7.072 -1.755 314 1HD2 LEU 39 1HD2 LEU 39 1.820 6.236 -4.000 315 2HD2 LEU 39 2HD2 LEU 39 0.142 5.875 -3.532 316 3HD2 LEU 39 3HD2 LEU 39 0.963 7.306 -2.865 317 H THR 40 H THR 40 0.489 1.306 -2.418 318 HA THR 40 HA THR 40 2.581 -0.735 -2.801 319 HB THR 40 HB THR 40 -0.350 -1.426 -2.635 320 HG1 THR 40 HG1 THR 40 -0.282 -0.201 -0.760 321 1HG2 THR 40 1HG2 THR 40 1.485 -3.178 -2.842 322 2HG2 THR 40 2HG2 THR 40 2.141 -2.599 -1.292 323 3HG2 THR 40 3HG2 THR 40 0.522 -3.336 -1.353 324 H ARG 41 H ARG 41 2.791 -1.756 -4.768 325 HA ARG 41 HA ARG 41 0.894 -0.945 -6.795 326 1HB ARG 41 1HB ARG 41 3.767 -0.205 -6.659 327 2HB ARG 41 2HB ARG 41 3.322 -0.942 -8.186 328 1HG ARG 41 1HG ARG 41 2.830 1.301 -8.628 329 2HG ARG 41 2HG ARG 41 1.263 0.724 -8.096 330 1HD ARG 41 1HD ARG 41 2.642 1.466 -5.714 331 2HD ARG 41 2HD ARG 41 2.990 2.738 -6.868 332 HE ARG 41 HE ARG 41 0.490 2.336 -5.558 333 1HH1 ARG 41 1HH1 ARG 41 1.730 3.036 -8.776 334 2HH1 ARG 41 2HH1 ARG 41 0.308 3.888 -9.277 335 1HH2 ARG 41 1HH2 ARG 41 -1.386 3.459 -6.219 336 2HH2 ARG 41 2HH2 ARG 41 -1.477 4.130 -7.814 337 H ASN 42 H ASN 42 0.729 -2.483 -8.576 338 HA ASN 42 HA ASN 42 1.704 -5.078 -7.797 339 1HB ASN 42 1HB ASN 42 -0.150 -4.282 -10.104 340 2HB ASN 42 2HB ASN 42 0.130 -5.917 -9.539 341 1HD2 ASN 42 1HD2 ASN 42 -1.965 -6.318 -9.000 342 2HD2 ASN 42 2HD2 ASN 42 -2.787 -5.589 -7.660 343 H VAL 43 H VAL 43 3.556 -5.915 -8.774 344 HA VAL 43 HA VAL 43 4.140 -5.069 -11.511 345 HB VAL 43 HB VAL 43 5.501 -3.604 -10.296 346 1HG1 VAL 43 1HG1 VAL 43 7.132 -4.746 -8.514 347 2HG1 VAL 43 2HG1 VAL 43 5.516 -4.143 -8.074 348 3HG1 VAL 43 3HG1 VAL 43 5.766 -5.879 -8.379 349 1HG2 VAL 43 1HG2 VAL 43 7.694 -5.514 -10.438 350 2HG2 VAL 43 2HG2 VAL 43 6.628 -5.628 -11.859 351 3HG2 VAL 43 3HG2 VAL 43 7.372 -4.070 -11.428 352 H MET 44 H MET 44 4.684 -6.767 -12.812 353 HA MET 44 HA MET 44 4.715 -9.341 -11.550 354 1HB MET 44 1HB MET 44 4.306 -10.173 -13.759 355 2HB MET 44 2HB MET 44 3.499 -8.617 -13.764 356 1HG MET 44 1HG MET 44 5.899 -7.748 -14.606 357 2HG MET 44 2HG MET 44 6.087 -9.418 -15.104 358 1HE MET 44 1HE MET 44 3.384 -10.279 -17.311 359 2HE MET 44 2HE MET 44 4.965 -9.869 -18.017 360 3HE MET 44 3HE MET 44 4.880 -10.651 -16.421 361 H GLY 45 H GLY 45 6.489 -10.680 -11.288 362 1HA GLY 45 1HA GLY 45 8.623 -11.381 -12.305 363 2HA GLY 45 2HA GLY 45 9.050 -9.683 -12.390 364 HA PRO 46 HA PRO 46 10.243 -11.483 -8.284 365 1HB PRO 46 1HB PRO 46 12.902 -11.985 -8.662 366 2HB PRO 46 2HB PRO 46 11.667 -13.222 -8.781 367 1HG PRO 46 1HG PRO 46 13.159 -11.880 -10.950 368 2HG PRO 46 2HG PRO 46 12.255 -13.380 -11.005 369 1HD PRO 46 1HD PRO 46 11.418 -10.834 -12.027 370 2HD PRO 46 2HD PRO 46 10.469 -12.306 -11.977 371 H ILE 47 H ILE 47 9.714 -9.425 -7.519 372 HA ILE 47 HA ILE 47 12.096 -7.707 -7.479 373 HB ILE 47 HB ILE 47 10.261 -6.941 -9.022 374 1HG1 ILE 47 1HG1 ILE 47 10.318 -4.678 -7.267 375 2HG1 ILE 47 2HG1 ILE 47 11.859 -5.504 -7.143 376 1HG2 ILE 47 1HG2 ILE 47 8.170 -6.461 -8.335 377 2HG2 ILE 47 2HG2 ILE 47 8.544 -7.632 -7.048 378 3HG2 ILE 47 3HG2 ILE 47 8.705 -5.886 -6.738 379 1HD1 ILE 47 1HD1 ILE 47 11.232 -3.719 -9.129 380 2HD1 ILE 47 2HD1 ILE 47 12.458 -4.999 -9.299 381 3HD1 ILE 47 3HD1 ILE 47 10.811 -5.256 -9.921 382 H ARG 48 H ARG 48 12.842 -7.285 -5.468 383 HA ARG 48 HA ARG 48 10.906 -7.580 -3.317 384 1HB ARG 48 1HB ARG 48 12.871 -8.463 -1.917 385 2HB ARG 48 2HB ARG 48 12.293 -9.548 -3.166 386 1HG ARG 48 1HG ARG 48 14.587 -7.612 -3.680 387 2HG ARG 48 2HG ARG 48 14.864 -9.191 -2.973 388 1HD ARG 48 1HD ARG 48 13.150 -9.602 -5.238 389 2HD ARG 48 2HD ARG 48 14.417 -8.509 -5.762 390 HE ARG 48 HE ARG 48 14.754 -11.308 -4.904 391 1HH1 ARG 48 1HH1 ARG 48 16.344 -8.237 -5.558 392 2HH1 ARG 48 2HH1 ARG 48 17.906 -8.949 -5.791 393 1HH2 ARG 48 1HH2 ARG 48 16.814 -12.248 -5.212 394 2HH2 ARG 48 2HH2 ARG 48 18.175 -11.246 -5.593 395 H GLU 49 H GLU 49 11.724 -6.436 -1.223 396 HA GLU 49 HA GLU 49 11.975 -3.839 -1.542 397 1HB GLU 49 1HB GLU 49 13.588 -4.198 0.690 398 2HB GLU 49 2HB GLU 49 11.836 -4.168 0.697 399 1HG GLU 49 1HG GLU 49 11.648 -6.489 0.852 400 2HG GLU 49 2HG GLU 49 13.145 -6.782 -0.011 401 H GLY 50 H GLY 50 13.566 -2.242 -1.889 402 1HA GLY 50 1HA GLY 50 15.941 -1.704 -1.849 403 2HA GLY 50 2HA GLY 50 16.257 -3.270 -2.570 404 H ASP 51 H ASP 51 13.620 -2.885 -4.220 405 HA ASP 51 HA ASP 51 14.954 -1.800 -6.454 406 1HB ASP 51 1HB ASP 51 12.616 -3.375 -5.916 407 2HB ASP 51 2HB ASP 51 12.074 -1.974 -6.818 408 H ILE 52 H ILE 52 14.040 0.077 -7.763 409 HA ILE 52 HA ILE 52 13.107 2.159 -5.949 410 HB ILE 52 HB ILE 52 14.120 2.412 -8.780 411 1HG1 ILE 52 1HG1 ILE 52 15.646 2.471 -6.164 412 2HG1 ILE 52 2HG1 ILE 52 15.863 1.354 -7.496 413 1HG2 ILE 52 1HG2 ILE 52 14.652 4.755 -7.916 414 2HG2 ILE 52 2HG2 ILE 52 12.943 4.366 -8.223 415 3HG2 ILE 52 3HG2 ILE 52 13.567 4.376 -6.556 416 1HD1 ILE 52 1HD1 ILE 52 16.206 3.666 -8.865 417 2HD1 ILE 52 2HD1 ILE 52 16.721 4.216 -7.253 418 3HD1 ILE 52 3HD1 ILE 52 17.546 2.844 -8.031 419 H LEU 53 H LEU 53 11.040 2.880 -5.948 420 HA LEU 53 HA LEU 53 9.397 2.102 -8.258 421 1HB LEU 53 1HB LEU 53 9.034 1.685 -5.377 422 2HB LEU 53 2HB LEU 53 7.643 2.399 -6.168 423 HG LEU 53 HG LEU 53 7.658 0.519 -7.813 424 1HD1 LEU 53 1HD1 LEU 53 10.085 -0.212 -6.270 425 2HD1 LEU 53 2HD1 LEU 53 8.995 -1.544 -6.724 426 3HD1 LEU 53 3HD1 LEU 53 9.677 -0.485 -7.981 427 1HD2 LEU 53 1HD2 LEU 53 6.708 -1.144 -6.288 428 2HD2 LEU 53 2HD2 LEU 53 7.418 -0.285 -4.900 429 3HD2 LEU 53 3HD2 LEU 53 6.160 0.501 -5.885 430 H MET 54 H MET 54 7.487 3.584 -8.609 431 HA MET 54 HA MET 54 8.325 6.297 -7.935 432 1HB MET 54 1HB MET 54 6.859 5.117 -10.351 433 2HB MET 54 2HB MET 54 6.910 6.844 -10.060 434 1HG MET 54 1HG MET 54 9.580 5.569 -9.880 435 2HG MET 54 2HG MET 54 8.836 5.373 -11.454 436 1HE MET 54 1HE MET 54 10.373 9.199 -9.525 437 2HE MET 54 2HE MET 54 9.336 8.083 -8.605 438 3HE MET 54 3HE MET 54 10.893 7.518 -9.257 439 H LEU 55 H LEU 55 6.948 7.535 -6.717 440 HA LEU 55 HA LEU 55 4.298 6.403 -6.221 441 1HB LEU 55 1HB LEU 55 5.756 8.532 -4.658 442 2HB LEU 55 2HB LEU 55 4.298 7.679 -4.193 443 HG LEU 55 HG LEU 55 5.994 6.705 -2.913 444 1HD1 LEU 55 1HD1 LEU 55 6.162 4.659 -5.053 445 2HD1 LEU 55 2HD1 LEU 55 5.662 4.514 -3.350 446 3HD1 LEU 55 3HD1 LEU 55 4.527 5.161 -4.559 447 1HD2 LEU 55 1HD2 LEU 55 7.902 5.794 -4.888 448 2HD2 LEU 55 2HD2 LEU 55 7.713 7.563 -4.951 449 3HD2 LEU 55 3HD2 LEU 55 8.155 6.769 -3.421 450 H LEU 56 H LEU 56 2.749 7.171 -7.557 451 HA LEU 56 HA LEU 56 2.981 9.978 -8.371 452 1HB LEU 56 1HB LEU 56 3.013 8.418 -10.205 453 2HB LEU 56 2HB LEU 56 1.559 7.630 -9.627 454 HG LEU 56 HG LEU 56 1.410 9.283 -11.612 455 1HD1 LEU 56 1HD1 LEU 56 -0.571 8.332 -10.748 456 2HD1 LEU 56 2HD1 LEU 56 -0.472 9.285 -9.248 457 3HD1 LEU 56 3HD1 LEU 56 -0.851 10.089 -10.790 458 1HD2 LEU 56 1HD2 LEU 56 1.490 11.532 -11.289 459 2HD2 LEU 56 2HD2 LEU 56 0.974 11.426 -9.589 460 3HD2 LEU 56 3HD2 LEU 56 2.652 11.037 -10.035 461 H ASP 57 H ASP 57 1.478 11.457 -7.719 462 HA ASP 57 HA ASP 57 -0.108 10.910 -5.575 463 1HB ASP 57 1HB ASP 57 0.552 13.188 -6.284 464 2HB ASP 57 2HB ASP 57 -0.425 13.049 -7.732 465 H THR 58 H THR 58 -2.069 9.806 -5.407 466 HA THR 58 HA THR 58 -3.429 9.063 -7.862 467 HB THR 58 HB THR 58 -2.896 7.398 -6.053 468 HG1 THR 58 HG1 THR 58 -4.877 6.527 -6.586 469 1HG2 THR 58 1HG2 THR 58 -4.765 9.223 -4.468 470 2HG2 THR 58 2HG2 THR 58 -4.542 7.507 -4.054 471 3HG2 THR 58 3HG2 THR 58 -3.160 8.626 -3.984 472 H ILE 59 H ILE 59 -5.374 9.783 -8.579 473 HA ILE 59 HA ILE 59 -6.519 11.973 -7.003 474 HB ILE 59 HB ILE 59 -6.544 11.358 -9.953 475 1HG1 ILE 59 1HG1 ILE 59 -5.685 13.910 -9.707 476 2HG1 ILE 59 2HG1 ILE 59 -5.104 13.266 -8.184 477 1HG2 ILE 59 1HG2 ILE 59 -8.772 12.115 -9.304 478 2HG2 ILE 59 2HG2 ILE 59 -8.067 13.529 -8.485 479 3HG2 ILE 59 3HG2 ILE 59 -7.922 13.359 -10.251 480 1HD1 ILE 59 1HD1 ILE 59 -4.556 11.327 -10.262 481 2HD1 ILE 59 2HD1 ILE 59 -3.957 12.921 -10.779 482 3HD1 ILE 59 3HD1 ILE 59 -3.402 12.217 -9.241 483 H ARG 60 H ARG 60 -8.649 11.914 -6.331 484 HA ARG 60 HA ARG 60 -9.793 9.360 -6.213 485 1HB ARG 60 1HB ARG 60 -10.095 11.042 -4.415 486 2HB ARG 60 2HB ARG 60 -10.930 12.115 -5.521 487 1HG ARG 60 1HG ARG 60 -12.185 9.481 -5.568 488 2HG ARG 60 2HG ARG 60 -12.070 10.053 -3.915 489 1HD ARG 60 1HD ARG 60 -13.010 12.031 -5.983 490 2HD ARG 60 2HD ARG 60 -14.119 10.747 -5.547 491 HE ARG 60 HE ARG 60 -13.264 12.970 -3.841 492 1HH1 ARG 60 1HH1 ARG 60 -14.602 9.715 -3.876 493 2HH1 ARG 60 2HH1 ARG 60 -15.339 9.864 -2.316 494 1HH2 ARG 60 1HH2 ARG 60 -14.236 13.166 -1.782 495 2HH2 ARG 60 2HH2 ARG 60 -15.130 11.840 -1.117 496 H GLU 61 H GLU 61 -11.428 8.429 -7.473 497 HA GLU 61 HA GLU 61 -11.992 9.718 -9.926 498 1HB GLU 61 1HB GLU 61 -12.061 7.063 -8.888 499 2HB GLU 61 2HB GLU 61 -13.692 7.415 -9.422 500 1HG GLU 61 1HG GLU 61 -12.860 8.085 -11.653 501 2HG GLU 61 2HG GLU 61 -11.201 7.871 -11.131 502 H ALA 62 H ALA 62 -14.024 10.500 -10.709 503 HA ALA 62 HA ALA 62 -15.665 11.633 -8.669 504 1HB ALA 62 1HB ALA 62 -15.628 13.087 -10.418 505 2HB ALA 62 2HB ALA 62 -15.311 11.804 -11.610 506 3HB ALA 62 3HB ALA 62 -16.970 12.092 -11.032 507 H LYS 63 H LYS 63 -17.551 10.862 -7.820 508 HA LYS 63 HA LYS 63 -18.464 8.298 -8.866 509 1HB LYS 63 1HB LYS 63 -17.873 8.543 -6.452 510 2HB LYS 63 2HB LYS 63 -19.174 9.703 -6.274 511 1HG LYS 63 1HG LYS 63 -20.265 7.407 -7.622 512 2HG LYS 63 2HG LYS 63 -19.325 6.812 -6.268 513 1HD LYS 63 1HD LYS 63 -20.805 7.626 -4.728 514 2HD LYS 63 2HD LYS 63 -20.948 9.169 -5.545 515 1HE LYS 63 1HE LYS 63 -22.918 8.557 -6.497 516 2HE LYS 63 2HE LYS 63 -22.201 7.109 -7.175 517 1HZ LYS 63 1HZ LYS 63 -24.020 7.124 -5.238 518 2HZ LYS 63 2HZ LYS 63 -22.995 5.884 -5.517 519 3HZ LYS 63 3HZ LYS 63 -22.655 6.980 -4.355 520 H GLU 64 H GLU 64 -20.249 8.134 -10.114 521 HA GLU 64 HA GLU 64 -21.743 10.546 -10.544 522 1HB GLU 64 1HB GLU 64 -22.813 9.252 -12.384 523 2HB GLU 64 2HB GLU 64 -21.064 9.232 -12.494 524 1HG GLU 64 1HG GLU 64 -21.755 7.006 -10.850 525 2HG GLU 64 2HG GLU 64 -22.906 6.992 -12.171 526 H ILE 65 H ILE 65 -23.684 11.014 -9.589 527 HA ILE 65 HA ILE 65 -24.826 8.994 -7.863 528 HB ILE 65 HB ILE 65 -26.245 10.844 -7.087 529 1HG1 ILE 65 1HG1 ILE 65 -24.644 12.737 -8.797 530 2HG1 ILE 65 2HG1 ILE 65 -26.113 12.007 -9.415 531 1HG2 ILE 65 1HG2 ILE 65 -24.298 10.536 -5.829 532 2HG2 ILE 65 2HG2 ILE 65 -23.248 11.172 -7.118 533 3HG2 ILE 65 3HG2 ILE 65 -24.307 12.275 -6.206 534 1HD1 ILE 65 1HD1 ILE 65 -25.795 14.160 -7.448 535 2HD1 ILE 65 2HD1 ILE 65 -27.242 13.670 -8.362 536 3HD1 ILE 65 3HD1 ILE 65 -26.836 12.854 -6.833 537 H ARG 66 H ARG 66 -26.943 8.151 -8.042 538 HA ARG 66 HA ARG 66 -27.768 7.846 -10.704 539 1HB ARG 66 1HB ARG 66 -28.053 6.067 -8.988 540 2HB ARG 66 2HB ARG 66 -29.142 7.092 -8.075 541 1HG ARG 66 1HG ARG 66 -30.639 7.176 -10.168 542 2HG ARG 66 2HG ARG 66 -29.615 5.931 -10.856 543 1HD ARG 66 1HD ARG 66 -30.747 5.487 -8.086 544 2HD ARG 66 2HD ARG 66 -31.815 5.296 -9.462 545 HE ARG 66 HE ARG 66 -29.642 3.515 -8.698 546 1HH1 ARG 66 1HH1 ARG 66 -31.511 4.687 -11.440 547 2HH1 ARG 66 2HH1 ARG 66 -31.219 3.278 -12.404 548 1HH2 ARG 66 1HH2 ARG 66 -29.256 1.656 -9.970 549 2HH2 ARG 66 2HH2 ARG 66 -29.928 1.542 -11.563 550 H THR 67 H THR 67 -29.589 8.735 -11.796 551 HA THR 67 HA THR 67 -30.807 11.031 -10.424 552 HB THR 67 HB THR 67 -31.196 11.835 -12.761 553 HG1 THR 67 HG1 THR 67 -31.397 9.785 -13.812 554 1HG2 THR 67 1HG2 THR 67 -28.815 11.982 -13.548 555 2HG2 THR 67 2HG2 THR 67 -28.955 12.374 -11.817 556 3HG2 THR 67 3HG2 THR 67 -28.353 10.777 -12.322 557 HA PRO 68 HA PRO 68 -34.616 9.052 -10.420 558 1HB PRO 68 1HB PRO 68 -36.296 11.193 -10.166 559 2HB PRO 68 2HB PRO 68 -35.430 10.489 -8.815 560 1HG PRO 68 1HG PRO 68 -34.883 13.012 -10.255 561 2HG PRO 68 2HG PRO 68 -34.320 12.505 -8.674 562 1HD PRO 68 1HD PRO 68 -32.806 12.525 -11.111 563 2HD PRO 68 2HD PRO 68 -32.281 11.910 -9.556
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