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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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8984 |
1n87 ![]() ![]() |
5594 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -6.011 1.995 -8.889 2 HA MET 1 HA MET 1 -7.129 1.427 -6.880 3 1HB MET 1 1HB MET 1 -8.922 0.483 -9.154 4 2HB MET 1 2HB MET 1 -9.481 0.834 -7.521 5 1HG MET 1 1HG MET 1 -8.240 2.805 -9.470 6 2HG MET 1 2HG MET 1 -9.931 2.712 -9.000 7 1HE MET 1 1HE MET 1 -10.894 3.417 -6.653 8 2HE MET 1 2HE MET 1 -9.777 2.356 -5.765 9 3HE MET 1 3HE MET 1 -9.916 4.068 -5.319 10 H LEU 2 H LEU 2 -5.814 -1.126 -8.427 11 HA LEU 2 HA LEU 2 -6.604 -3.002 -6.256 12 1HB LEU 2 1HB LEU 2 -6.623 -4.872 -7.603 13 2HB LEU 2 2HB LEU 2 -7.539 -3.698 -8.527 14 HG LEU 2 HG LEU 2 -4.629 -4.504 -9.036 15 1HD1 LEU 2 1HD1 LEU 2 -7.178 -5.186 -10.553 16 2HD1 LEU 2 2HD1 LEU 2 -5.526 -5.664 -10.999 17 3HD1 LEU 2 3HD1 LEU 2 -6.252 -6.293 -9.514 18 1HD2 LEU 2 1HD2 LEU 2 -6.496 -2.713 -10.653 19 2HD2 LEU 2 2HD2 LEU 2 -4.959 -2.240 -9.882 20 3HD2 LEU 2 3HD2 LEU 2 -4.949 -3.359 -11.239 21 H CYS 3 H CYS 3 -5.046 -4.513 -5.508 22 HA CYS 3 HA CYS 3 -2.791 -2.966 -4.839 23 1HB CYS 3 1HB CYS 3 -3.927 -4.376 -3.251 24 2HB CYS 3 2HB CYS 3 -3.756 -5.757 -4.289 25 HG CYS 3 HG CYS 3 -2.377 -6.177 -2.188 26 H ALA 4 H ALA 4 -0.800 -3.097 -5.125 27 HA ALA 4 HA ALA 4 0.184 -4.091 -7.740 28 1HB ALA 4 1HB ALA 4 0.784 -1.892 -7.090 29 2HB ALA 4 2HB ALA 4 1.824 -2.551 -5.781 30 3HB ALA 4 3HB ALA 4 2.172 -2.916 -7.470 31 H ILE 5 H ILE 5 0.251 -5.135 -4.408 32 HA ILE 5 HA ILE 5 2.577 -6.917 -4.682 33 HB ILE 5 HB ILE 5 0.534 -6.607 -2.439 34 1HG1 ILE 5 1HG1 ILE 5 2.906 -6.133 -1.293 35 2HG1 ILE 5 2HG1 ILE 5 3.328 -5.624 -2.920 36 1HG2 ILE 5 1HG2 ILE 5 1.234 -8.982 -2.567 37 2HG2 ILE 5 2HG2 ILE 5 2.934 -8.499 -2.745 38 3HG2 ILE 5 3HG2 ILE 5 2.077 -8.222 -1.220 39 1HD1 ILE 5 1HD1 ILE 5 0.956 -4.617 -1.260 40 2HD1 ILE 5 2HD1 ILE 5 2.490 -3.768 -1.479 41 3HD1 ILE 5 3HD1 ILE 5 1.420 -4.016 -2.869 42 H SER 6 H SER 6 -0.987 -7.513 -4.319 43 HA SER 6 HA SER 6 -0.607 -9.889 -6.099 44 1HB SER 6 1HB SER 6 -2.210 -10.035 -3.560 45 2HB SER 6 2HB SER 6 -1.972 -11.321 -4.739 46 HG SER 6 HG SER 6 -0.538 -11.606 -3.032 47 H GLY 7 H GLY 7 -2.511 -7.085 -5.699 48 1HA GLY 7 1HA GLY 7 -4.112 -6.415 -7.246 49 2HA GLY 7 2HA GLY 7 -4.168 -8.076 -7.829 50 H LYS 8 H LYS 8 -4.532 -8.050 -4.657 51 HA LYS 8 HA LYS 8 -7.269 -8.920 -4.443 52 1HB LYS 8 1HB LYS 8 -5.422 -9.591 -3.002 53 2HB LYS 8 2HB LYS 8 -5.155 -7.924 -2.479 54 1HG LYS 8 1HG LYS 8 -7.305 -7.921 -1.285 55 2HG LYS 8 2HG LYS 8 -7.704 -9.532 -1.940 56 1HD LYS 8 1HD LYS 8 -5.670 -10.446 -0.837 57 2HD LYS 8 2HD LYS 8 -5.343 -8.841 -0.148 58 1HE LYS 8 1HE LYS 8 -7.510 -8.902 1.062 59 2HE LYS 8 2HE LYS 8 -7.905 -10.449 0.310 60 1HZ LYS 8 1HZ LYS 8 -5.648 -10.012 2.194 61 2HZ LYS 8 2HZ LYS 8 -7.046 -10.780 2.544 62 3HZ LYS 8 3HZ LYS 8 -6.006 -11.439 1.476 63 H VAL 9 H VAL 9 -9.092 -7.871 -3.834 64 HA VAL 9 HA VAL 9 -9.323 -4.976 -3.944 65 HB VAL 9 HB VAL 9 -11.162 -6.286 -4.678 66 1HG1 VAL 9 1HG1 VAL 9 -11.674 -7.262 -1.845 67 2HG1 VAL 9 2HG1 VAL 9 -12.646 -7.571 -3.292 68 3HG1 VAL 9 3HG1 VAL 9 -11.031 -8.266 -3.167 69 1HG2 VAL 9 1HG2 VAL 9 -12.963 -5.121 -3.539 70 2HG2 VAL 9 2HG2 VAL 9 -11.909 -4.756 -2.157 71 3HG2 VAL 9 3HG2 VAL 9 -11.579 -4.045 -3.757 72 HA PRO 10 HA PRO 10 -7.557 -4.870 0.114 73 1HB PRO 10 1HB PRO 10 -7.292 -2.199 0.544 74 2HB PRO 10 2HB PRO 10 -6.357 -3.067 -0.706 75 1HG PRO 10 1HG PRO 10 -8.919 -1.499 -1.108 76 2HG PRO 10 2HG PRO 10 -7.377 -1.358 -2.016 77 1HD PRO 10 1HD PRO 10 -9.435 -2.896 -2.921 78 2HD PRO 10 2HD PRO 10 -7.732 -3.405 -3.127 79 H ARG 11 H ARG 11 -8.028 -4.677 2.176 80 HA ARG 11 HA ARG 11 -10.748 -3.825 3.105 81 1HB ARG 11 1HB ARG 11 -10.309 -5.061 5.151 82 2HB ARG 11 2HB ARG 11 -10.216 -6.113 3.739 83 1HG ARG 11 1HG ARG 11 -7.770 -6.132 3.846 84 2HG ARG 11 2HG ARG 11 -7.783 -4.956 5.179 85 1HD ARG 11 1HD ARG 11 -9.029 -6.600 6.571 86 2HD ARG 11 2HD ARG 11 -8.915 -7.776 5.242 87 HE ARG 11 HE ARG 11 -6.288 -6.833 5.819 88 1HH1 ARG 11 2HH2 ARG 11 -8.688 -8.808 7.438 89 2HH1 ARG 11 1HH2 ARG 11 -7.482 -9.648 8.378 90 1HH2 ARG 11 2HH1 ARG 11 -4.846 -7.890 7.010 91 2HH2 ARG 11 1HH1 ARG 11 -5.331 -9.147 8.136 92 H ARG 12 H ARG 12 -7.268 -3.273 3.466 93 HA ARG 12 HA ARG 12 -7.889 -0.544 4.583 94 1HB ARG 12 1HB ARG 12 -5.676 -2.453 5.366 95 2HB ARG 12 2HB ARG 12 -5.579 -0.698 5.623 96 1HG ARG 12 1HG ARG 12 -7.712 -0.783 6.913 97 2HG ARG 12 2HG ARG 12 -7.699 -2.553 6.776 98 1HD ARG 12 1HD ARG 12 -5.552 -2.657 7.963 99 2HD ARG 12 2HD ARG 12 -5.457 -0.894 8.018 100 HE ARG 12 HE ARG 12 -7.133 -2.644 9.691 101 1HH1 ARG 12 2HH2 ARG 12 -6.599 0.742 8.756 102 2HH1 ARG 12 1HH2 ARG 12 -7.501 1.295 10.144 103 1HH2 ARG 12 2HH1 ARG 12 -8.234 -1.809 11.393 104 2HH2 ARG 12 1HH1 ARG 12 -8.374 -0.086 11.583 105 HA PRO 13 HA PRO 13 -5.972 -0.059 0.413 106 1HB PRO 13 1HB PRO 13 -7.222 2.393 -0.078 107 2HB PRO 13 2HB PRO 13 -7.822 0.788 -0.575 108 1HG PRO 13 1HG PRO 13 -8.549 2.345 1.928 109 2HG PRO 13 2HG PRO 13 -9.650 1.516 0.772 110 1HD PRO 13 1HD PRO 13 -9.016 0.242 3.010 111 2HD PRO 13 2HD PRO 13 -8.821 -0.635 1.444 112 H VAL 14 H VAL 14 -4.167 0.663 0.319 113 HA VAL 14 HA VAL 14 -3.074 2.973 1.902 114 HB VAL 14 HB VAL 14 -2.549 0.042 2.098 115 1HG1 VAL 14 1HG1 VAL 14 -0.271 0.165 2.778 116 2HG1 VAL 14 2HG1 VAL 14 -0.406 0.704 1.118 117 3HG1 VAL 14 3HG1 VAL 14 -0.192 1.916 2.383 118 1HG2 VAL 14 1HG2 VAL 14 -2.002 0.647 4.394 119 2HG2 VAL 14 2HG2 VAL 14 -2.008 2.358 3.989 120 3HG2 VAL 14 3HG2 VAL 14 -3.525 1.406 3.924 121 H LEU 15 H LEU 15 -1.438 4.098 1.053 122 HA LEU 15 HA LEU 15 -0.370 3.340 -1.645 123 1HB LEU 15 1HB LEU 15 -1.997 5.056 -1.853 124 2HB LEU 15 2HB LEU 15 -1.346 6.006 -0.543 125 HG LEU 15 HG LEU 15 0.431 5.509 -2.936 126 1HD1 LEU 15 1HD1 LEU 15 -1.866 7.508 -2.878 127 2HD1 LEU 15 2HD1 LEU 15 -0.538 7.497 -4.066 128 3HD1 LEU 15 3HD1 LEU 15 -1.661 6.141 -3.996 129 1HD2 LEU 15 1HD2 LEU 15 1.207 6.878 -0.918 130 2HD2 LEU 15 2HD2 LEU 15 1.229 7.760 -2.451 131 3HD2 LEU 15 3HD2 LEU 15 -0.079 8.027 -1.281 132 H SER 16 H SER 16 1.810 4.111 -2.048 133 HA SER 16 HA SER 16 3.400 5.198 0.210 134 1HB SER 16 1HB SER 16 4.058 2.925 0.184 135 2HB SER 16 2HB SER 16 4.281 2.955 -1.566 136 HG SER 16 HG SER 16 6.244 3.322 -0.877 137 HA PRO 17 HA PRO 17 3.763 8.490 -2.600 138 1HB PRO 17 1HB PRO 17 6.523 8.868 -1.417 139 2HB PRO 17 2HB PRO 17 5.261 10.096 -1.735 140 1HG PRO 17 1HG PRO 17 5.609 9.127 0.766 141 2HG PRO 17 2HG PRO 17 3.948 9.325 0.109 142 1HD PRO 17 1HD PRO 17 5.592 6.800 0.338 143 2HD PRO 17 2HD PRO 17 3.854 7.088 0.658 144 H LYS 18 H LYS 18 5.940 5.883 -2.916 145 HA LYS 18 HA LYS 18 7.434 7.147 -5.211 146 1HB LYS 18 1HB LYS 18 8.122 4.543 -3.803 147 2HB LYS 18 2HB LYS 18 9.015 5.361 -5.067 148 1HG LYS 18 1HG LYS 18 10.225 6.112 -3.293 149 2HG LYS 18 2HG LYS 18 9.033 7.401 -3.375 150 1HD LYS 18 1HD LYS 18 9.272 6.793 -1.062 151 2HD LYS 18 2HD LYS 18 7.712 6.132 -1.559 152 1HE LYS 18 1HE LYS 18 8.882 3.920 -1.979 153 2HE LYS 18 2HE LYS 18 10.347 4.641 -1.284 154 1HZ LYS 18 1HZ LYS 18 7.749 4.314 0.098 155 2HZ LYS 18 2HZ LYS 18 9.114 3.445 0.374 156 3HZ LYS 18 3HZ LYS 18 9.093 5.045 0.749 157 H SER 19 H SER 19 5.983 4.009 -4.462 158 HA SER 19 HA SER 19 5.464 3.162 -7.148 159 1HB SER 19 1HB SER 19 3.889 1.562 -6.031 160 2HB SER 19 2HB SER 19 5.518 1.594 -5.329 161 HG SER 19 HG SER 19 4.839 2.647 -3.629 162 H ARG 20 H ARG 20 3.441 4.968 -4.896 163 HA ARG 20 HA ARG 20 1.532 6.157 -5.022 164 1HB ARG 20 1HB ARG 20 2.264 6.639 -7.925 165 2HB ARG 20 2HB ARG 20 1.186 7.615 -6.914 166 1HG ARG 20 1HG ARG 20 3.140 7.971 -5.322 167 2HG ARG 20 2HG ARG 20 4.167 7.183 -6.518 168 1HD ARG 20 1HD ARG 20 4.510 9.431 -6.963 169 2HD ARG 20 2HD ARG 20 3.353 8.947 -8.198 170 HE ARG 20 HE ARG 20 1.746 10.343 -7.226 171 1HH1 ARG 20 2HH2 ARG 20 4.377 10.067 -4.897 172 2HH1 ARG 20 1HH2 ARG 20 3.759 11.402 -3.955 173 1HH2 ARG 20 2HH1 ARG 20 1.017 11.975 -5.935 174 2HH2 ARG 20 1HH1 ARG 20 1.900 12.414 -4.502 175 H THR 21 H THR 21 1.464 3.281 -6.372 176 HA THR 21 HA THR 21 -1.270 3.094 -7.419 177 HB THR 21 HB THR 21 0.553 1.369 -7.894 178 HG1 THR 21 1HG THR 21 -0.811 -0.330 -7.723 179 1HG2 THR 21 1HG2 THR 21 1.345 1.473 -5.390 180 2HG2 THR 21 2HG2 THR 21 0.024 0.322 -5.123 181 3HG2 THR 21 3HG2 THR 21 1.362 -0.055 -6.240 182 H ILE 22 H ILE 22 -2.720 1.374 -6.060 183 HA ILE 22 HA ILE 22 -2.713 2.097 -3.159 184 HB ILE 22 HB ILE 22 -5.192 1.448 -4.712 185 1HG1 ILE 22 1HG1 ILE 22 -4.544 3.606 -5.565 186 2HG1 ILE 22 2HG1 ILE 22 -5.984 3.717 -4.574 187 1HG2 ILE 22 1HG2 ILE 22 -4.763 2.455 -1.876 188 2HG2 ILE 22 2HG2 ILE 22 -6.348 2.261 -2.660 189 3HG2 ILE 22 3HG2 ILE 22 -5.327 0.847 -2.368 190 1HD1 ILE 22 1HD1 ILE 22 -4.672 4.665 -2.706 191 2HD1 ILE 22 2HD1 ILE 22 -3.190 4.474 -3.656 192 3HD1 ILE 22 3HD1 ILE 22 -4.445 5.607 -4.187 193 H PHE 23 H PHE 23 -2.091 0.350 -2.105 194 HA PHE 23 HA PHE 23 -3.008 -2.349 -2.984 195 1HB PHE 23 1HB PHE 23 -0.926 -3.065 -1.488 196 2HB PHE 23 2HB PHE 23 -0.893 -2.876 -3.236 197 HD1 PHE 23 1HD PHE 23 0.887 -1.818 -4.118 198 HD2 PHE 23 2HD PHE 23 -0.219 -1.031 -0.139 199 HE1 PHE 23 1HE PHE 23 2.718 -0.159 -4.040 200 HE2 PHE 23 2HE PHE 23 1.553 0.854 -0.023 201 HZ PHE 23 HZ PHE 23 3.025 1.220 -1.971 202 H GLU 24 H GLU 24 -2.953 -3.934 -1.204 203 HA GLU 24 HA GLU 24 -4.653 -3.001 0.982 204 1HB GLU 24 1HB GLU 24 -5.277 -5.053 0.018 205 2HB GLU 24 2HB GLU 24 -3.631 -5.599 -0.086 206 1HG GLU 24 1HG GLU 24 -5.015 -6.796 1.635 207 2HG GLU 24 2HG GLU 24 -3.528 -6.087 2.264 208 H LYS 25 H LYS 25 -3.856 -2.516 3.048 209 HA LYS 25 HA LYS 25 -1.164 -1.995 3.630 210 1HB LYS 25 1HB LYS 25 -3.263 -1.167 4.811 211 2HB LYS 25 2HB LYS 25 -3.358 -2.730 5.621 212 1HG LYS 25 1HG LYS 25 -1.180 -2.365 6.695 213 2HG LYS 25 2HG LYS 25 -0.934 -0.878 5.766 214 1HD LYS 25 1HD LYS 25 -3.013 0.072 6.847 215 2HD LYS 25 2HD LYS 25 -3.077 -1.383 7.871 216 1HE LYS 25 1HE LYS 25 -0.804 -0.845 8.743 217 2HE LYS 25 2HE LYS 25 -0.755 0.591 7.707 218 1HZ LYS 25 1HZ LYS 25 -1.453 1.207 9.930 219 2HZ LYS 25 2HZ LYS 25 -2.716 1.441 8.914 220 3HZ LYS 25 3HZ LYS 25 -2.694 0.147 9.914 221 H SER 26 H SER 26 -3.155 -4.848 4.318 222 HA SER 26 HA SER 26 -1.227 -6.213 5.815 223 1HB SER 26 1HB SER 26 -3.302 -7.602 4.089 224 2HB SER 26 2HB SER 26 -2.517 -8.233 5.545 225 HG SER 26 HG SER 26 -4.336 -6.067 5.272 226 H LEU 27 H LEU 27 -1.709 -6.259 2.238 227 HA LEU 27 HA LEU 27 0.241 -8.359 1.789 228 1HB LEU 27 1HB LEU 27 -0.976 -6.361 -0.157 229 2HB LEU 27 2HB LEU 27 -0.076 -7.808 -0.530 230 HG LEU 27 HG LEU 27 -2.925 -7.484 0.007 231 1HD1 LEU 27 1HD1 LEU 27 -3.090 -9.407 -1.404 232 2HD1 LEU 27 2HD1 LEU 27 -1.920 -8.250 -2.070 233 3HD1 LEU 27 3HD1 LEU 27 -1.343 -9.711 -1.229 234 1HD2 LEU 27 1HD2 LEU 27 -1.592 -9.807 1.387 235 2HD2 LEU 27 2HD2 LEU 27 -2.729 -8.607 2.072 236 3HD2 LEU 27 3HD2 LEU 27 -3.298 -9.772 0.896 237 H LEU 28 H LEU 28 0.265 -4.815 1.805 238 HA LEU 28 HA LEU 28 2.963 -4.515 0.796 239 1HB LEU 28 1HB LEU 28 1.387 -2.588 0.946 240 2HB LEU 28 2HB LEU 28 1.474 -2.679 2.706 241 HG LEU 28 HG LEU 28 4.044 -2.374 2.467 242 1HD1 LEU 28 1HD1 LEU 28 3.219 -1.627 -0.361 243 2HD1 LEU 28 2HD1 LEU 28 4.783 -1.257 0.379 244 3HD1 LEU 28 3HD1 LEU 28 4.319 -2.930 0.113 245 1HD2 LEU 28 1HD2 LEU 28 3.820 0.086 2.124 246 2HD2 LEU 28 2HD2 LEU 28 2.105 -0.192 1.748 247 3HD2 LEU 28 3HD2 LEU 28 2.737 -0.630 3.334 248 H GLU 29 H GLU 29 1.540 -4.848 4.089 249 HA GLU 29 HA GLU 29 3.900 -4.629 5.619 250 1HB GLU 29 1HB GLU 29 1.628 -4.660 6.547 251 2HB GLU 29 2HB GLU 29 1.512 -6.396 6.224 252 1HG GLU 29 1HG GLU 29 3.410 -6.807 7.756 253 2HG GLU 29 2HG GLU 29 3.589 -5.070 8.018 254 H GLN 30 H GLN 30 2.587 -7.467 3.939 255 HA GLN 30 HA GLN 30 4.605 -9.357 4.754 256 1HB GLN 30 1HB GLN 30 2.380 -9.778 3.553 257 2HB GLN 30 2HB GLN 30 3.203 -9.342 2.059 258 1HG GLN 30 1HG GLN 30 4.869 -11.137 2.429 259 2HG GLN 30 2HG GLN 30 4.066 -11.580 3.939 260 1HE2 GLN 30 1HE2 GLN 30 1.835 -12.526 3.797 261 2HE2 GLN 30 2HE2 GLN 30 1.359 -13.266 2.272 262 H TYR 31 H TYR 31 4.452 -7.205 1.897 263 HA TYR 31 HA TYR 31 6.915 -8.196 0.735 264 1HB TYR 31 1HB TYR 31 4.989 -7.183 -0.508 265 2HB TYR 31 2HB TYR 31 5.393 -5.621 0.181 266 HD1 TYR 31 1HD TYR 31 6.632 -4.194 -1.222 267 HD2 TYR 31 2HD TYR 31 7.126 -8.442 -1.603 268 HE1 TYR 31 1HE TYR 31 8.191 -3.847 -3.135 269 HE2 TYR 31 2HE TYR 31 8.582 -8.074 -3.633 270 HH TYR 31 HH TYR 31 9.407 -4.818 -4.799 271 H VAL 32 H VAL 32 6.108 -5.493 2.799 272 HA VAL 32 HA VAL 32 8.703 -4.322 2.577 273 HB VAL 32 HB VAL 32 6.415 -3.197 2.908 274 1HG1 VAL 32 1HG1 VAL 32 5.557 -2.800 5.081 275 2HG1 VAL 32 2HG1 VAL 32 5.936 -4.522 5.027 276 3HG1 VAL 32 3HG1 VAL 32 7.018 -3.427 5.884 277 1HG2 VAL 32 1HG2 VAL 32 7.287 -1.263 4.212 278 2HG2 VAL 32 2HG2 VAL 32 8.742 -2.183 4.603 279 3HG2 VAL 32 3HG2 VAL 32 8.355 -1.774 2.909 280 H LYS 33 H LYS 33 7.400 -6.660 4.686 281 HA LYS 33 HA LYS 33 9.774 -6.510 6.520 282 1HB LYS 33 1HB LYS 33 8.806 -7.991 7.971 283 2HB LYS 33 2HB LYS 33 7.475 -6.964 7.452 284 1HG LYS 33 1HG LYS 33 6.785 -8.785 5.852 285 2HG LYS 33 2HG LYS 33 8.055 -9.817 6.510 286 1HD LYS 33 1HD LYS 33 5.743 -8.623 8.106 287 2HD LYS 33 2HD LYS 33 5.793 -10.264 7.449 288 1HE LYS 33 1HE LYS 33 7.828 -10.754 8.795 289 2HE LYS 33 2HE LYS 33 7.753 -9.130 9.491 290 1HZ LYS 33 1HZ LYS 33 6.705 -10.758 10.952 291 2HZ LYS 33 2HZ LYS 33 5.572 -9.705 10.428 292 3HZ LYS 33 3HZ LYS 33 5.649 -11.211 9.797 293 H ASP 34 H ASP 34 8.841 -8.004 3.647 294 HA ASP 34 HA ASP 34 10.755 -10.221 3.631 295 1HB ASP 34 1HB ASP 34 8.703 -9.125 1.873 296 2HB ASP 34 2HB ASP 34 10.158 -9.307 0.965 297 H THR 35 H THR 35 10.634 -7.072 1.966 298 HA THR 35 HA THR 35 13.648 -6.934 1.893 299 HB THR 35 HB THR 35 13.528 -5.989 -0.348 300 HG1 THR 35 1HG THR 35 10.806 -6.761 -0.369 301 1HG2 THR 35 1HG2 THR 35 12.094 -8.672 -0.316 302 2HG2 THR 35 2HG2 THR 35 12.987 -7.952 -1.666 303 3HG2 THR 35 3HG2 THR 35 13.852 -8.430 -0.193 304 H GLY 36 H GLY 36 10.599 -5.308 2.313 305 1HA GLY 36 1HA GLY 36 10.235 -3.212 3.270 306 2HA GLY 36 2HA GLY 36 11.921 -2.785 3.080 307 H ASN 37 H ASN 37 11.262 -3.958 0.103 308 HA ASN 37 HA ASN 37 11.455 -1.332 -1.045 309 1HB ASN 37 1HB ASN 37 10.889 -4.096 -2.209 310 2HB ASN 37 2HB ASN 37 11.228 -2.683 -3.175 311 1HD2 ASN 37 2HD2 ASN 37 12.790 -5.024 -3.318 312 2HD2 ASN 37 1HD2 ASN 37 14.395 -4.576 -2.750 313 H ASP 38 H ASP 38 10.061 -0.109 -2.279 314 HA ASP 38 HA ASP 38 7.194 -0.417 -2.069 315 1HB ASP 38 1HB ASP 38 9.035 1.433 -3.503 316 2HB ASP 38 2HB ASP 38 7.556 1.093 -4.358 317 HA PRO 39 HA PRO 39 6.735 -3.845 -4.916 318 1HB PRO 39 1HB PRO 39 4.135 -2.478 -5.613 319 2HB PRO 39 2HB PRO 39 4.440 -4.217 -5.288 320 1HG PRO 39 1HG PRO 39 3.408 -2.660 -3.358 321 2HG PRO 39 2HG PRO 39 4.741 -3.784 -2.947 322 1HD PRO 39 1HD PRO 39 4.874 -0.806 -3.428 323 2HD PRO 39 2HD PRO 39 5.686 -1.815 -2.189 324 H ILE 40 H ILE 40 6.819 -0.644 -6.253 325 HA ILE 40 HA ILE 40 6.891 -1.720 -9.069 326 HB ILE 40 HB ILE 40 5.616 0.821 -8.028 327 1HG1 ILE 40 1HG1 ILE 40 4.374 -1.378 -9.745 328 2HG1 ILE 40 2HG1 ILE 40 4.360 -1.461 -7.985 329 1HG2 ILE 40 1HG2 ILE 40 6.097 -0.011 -10.930 330 2HG2 ILE 40 2HG2 ILE 40 5.072 1.343 -10.419 331 3HG2 ILE 40 3HG2 ILE 40 6.792 1.410 -10.108 332 1HD1 ILE 40 1HD1 ILE 40 2.268 -0.552 -8.734 333 2HD1 ILE 40 2HD1 ILE 40 3.183 0.675 -7.834 334 3HD1 ILE 40 3HD1 ILE 40 3.079 0.759 -9.610 335 H THR 41 H THR 41 8.056 0.932 -6.939 336 HA THR 41 HA THR 41 10.169 1.625 -8.881 337 HB THR 41 HB THR 41 10.838 3.328 -7.167 338 HG1 THR 41 1HG THR 41 8.326 2.618 -6.162 339 1HG2 THR 41 1HG2 THR 41 9.408 3.924 -9.086 340 2HG2 THR 41 2HG2 THR 41 7.960 3.450 -8.170 341 3HG2 THR 41 3HG2 THR 41 8.955 4.818 -7.627 342 H ASN 42 H ASN 42 9.830 -0.615 -6.326 343 HA ASN 42 HA ASN 42 11.002 -1.560 -4.826 344 1HB ASN 42 1HB ASN 42 12.760 -2.870 -5.530 345 2HB ASN 42 2HB ASN 42 11.669 -2.697 -6.885 346 1HD2 ASN 42 1HD2 ASN 42 14.660 -1.159 -5.589 347 2HD2 ASN 42 2HD2 ASN 42 15.414 -0.982 -7.181 348 H GLU 43 H GLU 43 11.146 1.325 -4.646 349 HA GLU 43 HA GLU 43 13.704 2.121 -3.597 350 1HB GLU 43 1HB GLU 43 10.869 3.116 -3.199 351 2HB GLU 43 2HB GLU 43 12.277 3.922 -2.503 352 1HG GLU 43 1HG GLU 43 12.449 3.293 -5.441 353 2HG GLU 43 2HG GLU 43 11.227 4.436 -4.968 354 HA PRO 44 HA PRO 44 13.474 -0.546 0.040 355 1HB PRO 44 1HB PRO 44 15.646 1.319 1.008 356 2HB PRO 44 2HB PRO 44 15.571 -0.470 1.098 357 1HG PRO 44 1HG PRO 44 17.064 0.729 -0.809 358 2HG PRO 44 2HG PRO 44 16.028 -0.674 -1.240 359 1HD PRO 44 1HD PRO 44 15.461 2.272 -1.645 360 2HD PRO 44 2HD PRO 44 15.236 0.907 -2.778 361 H LEU 45 H LEU 45 12.102 -0.462 1.608 362 HA LEU 45 HA LEU 45 10.918 0.009 3.442 363 1HB LEU 45 1HB LEU 45 12.442 2.622 3.702 364 2HB LEU 45 2HB LEU 45 11.071 2.169 4.687 365 HG LEU 45 HG LEU 45 12.278 0.084 5.404 366 1HD1 LEU 45 1HD1 LEU 45 14.022 -0.201 3.731 367 2HD1 LEU 45 2HD1 LEU 45 14.662 1.430 4.051 368 3HD1 LEU 45 3HD1 LEU 45 14.789 0.145 5.272 369 1HD2 LEU 45 1HD2 LEU 45 13.648 2.745 6.004 370 2HD2 LEU 45 2HD2 LEU 45 12.161 2.146 6.774 371 3HD2 LEU 45 3HD2 LEU 45 13.688 1.290 7.026 372 H SER 46 H SER 46 8.917 0.870 3.832 373 HA SER 46 HA SER 46 7.632 2.467 1.708 374 1HB SER 46 1HB SER 46 7.753 -0.060 1.132 375 2HB SER 46 2HB SER 46 6.452 -0.221 2.312 376 HG SER 46 HG SER 46 6.548 1.380 -0.034 377 H ILE 47 H ILE 47 6.594 0.291 4.325 378 HA ILE 47 HA ILE 47 4.541 1.777 5.200 379 HB ILE 47 HB ILE 47 5.103 -0.614 5.529 380 1HG1 ILE 47 1HG1 ILE 47 4.243 0.341 8.245 381 2HG1 ILE 47 2HG1 ILE 47 3.270 0.801 6.843 382 1HG2 ILE 47 1HG2 ILE 47 6.663 0.287 7.992 383 2HG2 ILE 47 2HG2 ILE 47 6.344 -1.380 7.492 384 3HG2 ILE 47 3HG2 ILE 47 7.388 -0.350 6.504 385 1HD1 ILE 47 1HD1 ILE 47 4.061 -2.056 7.535 386 2HD1 ILE 47 2HD1 ILE 47 2.449 -1.325 7.754 387 3HD1 ILE 47 3HD1 ILE 47 3.125 -1.546 6.116 388 H GLU 48 H GLU 48 7.788 2.357 6.091 389 HA GLU 48 HA GLU 48 7.248 4.093 8.374 390 1HB GLU 48 1HB GLU 48 9.708 3.745 6.612 391 2HB GLU 48 2HB GLU 48 9.640 4.805 8.016 392 1HG GLU 48 1HG GLU 48 9.249 1.783 8.072 393 2HG GLU 48 2HG GLU 48 10.707 2.650 8.543 394 H GLU 49 H GLU 49 6.588 4.367 5.128 395 HA GLU 49 HA GLU 49 6.408 7.350 5.242 396 1HB GLU 49 1HB GLU 49 7.305 5.651 2.872 397 2HB GLU 49 2HB GLU 49 6.960 7.386 2.808 398 1HG GLU 49 1HG GLU 49 8.740 7.771 4.534 399 2HG GLU 49 2HG GLU 49 9.178 6.061 4.416 400 H ILE 50 H ILE 50 4.616 4.804 5.492 401 HA ILE 50 HA ILE 50 2.867 4.612 3.398 402 HB ILE 50 HB ILE 50 3.162 3.128 5.342 403 1HG1 ILE 50 1HG1 ILE 50 0.202 3.549 4.947 404 2HG1 ILE 50 2HG1 ILE 50 1.256 3.059 3.610 405 1HG2 ILE 50 1HG2 ILE 50 1.090 4.814 6.803 406 2HG2 ILE 50 2HG2 ILE 50 1.904 3.356 7.394 407 3HG2 ILE 50 3HG2 ILE 50 2.825 4.843 7.165 408 1HD1 ILE 50 1HD1 ILE 50 0.241 1.106 4.757 409 2HD1 ILE 50 2HD1 ILE 50 2.007 1.092 4.799 410 3HD1 ILE 50 3HD1 ILE 50 1.065 1.545 6.247 411 H VAL 51 H VAL 51 1.063 5.302 2.773 412 HA VAL 51 HA VAL 51 -0.441 7.533 4.121 413 HB VAL 51 HB VAL 51 -0.231 7.103 1.124 414 1HG1 VAL 51 1HG1 VAL 51 -2.385 8.119 1.835 415 2HG1 VAL 51 2HG1 VAL 51 -1.498 9.348 2.761 416 3HG1 VAL 51 3HG1 VAL 51 -1.373 9.290 0.990 417 1HG2 VAL 51 1HG2 VAL 51 1.899 7.977 1.950 418 2HG2 VAL 51 2HG2 VAL 51 1.013 9.245 1.102 419 3HG2 VAL 51 3HG2 VAL 51 1.053 9.229 2.882 420 H GLU 52 H GLU 52 -1.706 6.016 5.280 421 HA GLU 52 HA GLU 52 -3.329 4.037 3.851 422 1HB GLU 52 1HB GLU 52 -2.633 3.596 6.111 423 2HB GLU 52 2HB GLU 52 -3.484 5.034 6.715 424 1HG GLU 52 1HG GLU 52 -5.639 4.077 6.172 425 2HG GLU 52 2HG GLU 52 -4.895 2.777 5.238 426 H ILE 53 H ILE 53 -5.178 4.270 2.890 427 HA ILE 53 HA ILE 53 -6.328 6.937 2.531 428 HB ILE 53 HB ILE 53 -7.104 4.291 1.254 429 1HG1 ILE 53 1HG1 ILE 53 -4.774 4.594 0.728 430 2HG1 ILE 53 2HG1 ILE 53 -5.761 4.897 -0.679 431 1HG2 ILE 53 1HG2 ILE 53 -7.988 5.755 -0.565 432 2HG2 ILE 53 2HG2 ILE 53 -8.824 6.005 0.970 433 3HG2 ILE 53 3HG2 ILE 53 -7.619 7.183 0.427 434 1HD1 ILE 53 1HD1 ILE 53 -3.891 6.484 -0.519 435 2HD1 ILE 53 2HD1 ILE 53 -5.433 7.346 -0.409 436 3HD1 ILE 53 3HD1 ILE 53 -4.467 7.045 1.059 437 H VAL 54 H VAL 54 -7.010 7.136 4.706 438 HA VAL 54 HA VAL 54 -8.975 5.543 6.000 439 HB VAL 54 HB VAL 54 -9.394 7.559 7.425 440 1HG1 VAL 54 1HG1 VAL 54 -6.455 6.896 6.970 441 2HG1 VAL 54 2HG1 VAL 54 -7.176 7.579 8.444 442 3HG1 VAL 54 3HG1 VAL 54 -7.602 5.939 7.934 443 1HG2 VAL 54 1HG2 VAL 54 -8.017 9.552 7.199 444 2HG2 VAL 54 2HG2 VAL 54 -7.287 8.940 5.706 445 3HG2 VAL 54 3HG2 VAL 54 -9.015 9.355 5.753 446 HA PRO 55 HA PRO 55 -12.762 6.605 3.971 447 1HB PRO 55 1HB PRO 55 -14.659 6.150 5.885 448 2HB PRO 55 2HB PRO 55 -13.674 4.845 5.153 449 1HG PRO 55 1HG PRO 55 -13.170 6.312 7.768 450 2HG PRO 55 2HG PRO 55 -13.228 4.539 7.493 451 1HD PRO 55 1HD PRO 55 -10.876 5.880 7.532 452 2HD PRO 55 2HD PRO 55 -11.148 4.555 6.362 453 H SER 56 H SER 56 -11.687 8.546 6.598 454 HA SER 56 HA SER 56 -13.674 10.372 7.132 455 1HB SER 56 1HB SER 56 -10.716 11.000 6.826 456 2HB SER 56 2HB SER 56 -11.897 11.887 7.809 457 HG SER 56 HG SER 56 -10.713 10.420 9.090 Start of MODEL 2 1 H MET 1 H MET 1 -6.724 2.486 -8.138 2 HA MET 1 HA MET 1 -7.246 1.812 -5.915 3 1HB MET 1 1HB MET 1 -9.231 2.534 -7.283 4 2HB MET 1 2HB MET 1 -9.588 0.842 -7.599 5 1HG MET 1 1HG MET 1 -10.998 1.767 -5.824 6 2HG MET 1 2HG MET 1 -10.017 0.443 -5.232 7 1HE MET 1 1HE MET 1 -10.710 4.287 -5.199 8 2HE MET 1 2HE MET 1 -9.434 4.922 -4.139 9 3HE MET 1 3HE MET 1 -9.021 4.318 -5.756 10 H LEU 2 H LEU 2 -6.696 -0.723 -8.065 11 HA LEU 2 HA LEU 2 -6.947 -2.792 -5.940 12 1HB LEU 2 1HB LEU 2 -7.153 -4.493 -7.538 13 2HB LEU 2 2HB LEU 2 -8.297 -3.241 -7.932 14 HG LEU 2 HG LEU 2 -7.572 -4.038 -9.956 15 1HD1 LEU 2 1HD1 LEU 2 -7.527 -1.565 -9.932 16 2HD1 LEU 2 2HD1 LEU 2 -5.763 -1.627 -9.658 17 3HD1 LEU 2 3HD1 LEU 2 -6.461 -2.283 -11.145 18 1HD2 LEU 2 1HD2 LEU 2 -4.652 -3.874 -9.151 19 2HD2 LEU 2 2HD2 LEU 2 -5.650 -5.343 -9.251 20 3HD2 LEU 2 3HD2 LEU 2 -5.306 -4.407 -10.708 21 H CYS 3 H CYS 3 -5.350 -4.163 -5.359 22 HA CYS 3 HA CYS 3 -3.047 -2.826 -4.972 23 1HB CYS 3 1HB CYS 3 -3.260 -5.831 -4.597 24 2HB CYS 3 2HB CYS 3 -2.487 -4.666 -3.598 25 HG CYS 3 HG CYS 3 -4.716 -6.125 -2.894 26 H ALA 4 H ALA 4 -1.010 -2.777 -5.507 27 HA ALA 4 HA ALA 4 -0.272 -3.616 -8.208 28 1HB ALA 4 1HB ALA 4 0.647 -1.626 -7.209 29 2HB ALA 4 2HB ALA 4 1.640 -2.636 -6.103 30 3HB ALA 4 3HB ALA 4 1.870 -2.729 -7.844 31 H ILE 5 H ILE 5 -0.036 -4.997 -5.054 32 HA ILE 5 HA ILE 5 2.133 -6.891 -5.616 33 HB ILE 5 HB ILE 5 0.525 -6.174 -3.147 34 1HG1 ILE 5 1HG1 ILE 5 3.491 -5.858 -3.757 35 2HG1 ILE 5 2HG1 ILE 5 2.294 -4.600 -4.060 36 1HG2 ILE 5 1HG2 ILE 5 1.099 -8.596 -2.968 37 2HG2 ILE 5 2HG2 ILE 5 2.762 -8.261 -3.496 38 3HG2 ILE 5 3HG2 ILE 5 2.192 -7.694 -1.927 39 1HD1 ILE 5 1HD1 ILE 5 1.699 -4.557 -1.643 40 2HD1 ILE 5 2HD1 ILE 5 2.996 -5.741 -1.328 41 3HD1 ILE 5 3HD1 ILE 5 3.394 -4.143 -1.956 42 H SER 6 H SER 6 -1.328 -7.273 -4.646 43 HA SER 6 HA SER 6 -1.277 -9.986 -5.916 44 1HB SER 6 1HB SER 6 -2.668 -10.880 -4.284 45 2HB SER 6 2HB SER 6 -1.433 -9.969 -3.397 46 HG SER 6 HG SER 6 -3.571 -9.551 -2.650 47 H GLY 7 H GLY 7 -2.925 -6.959 -5.927 48 1HA GLY 7 1HA GLY 7 -4.471 -6.217 -7.507 49 2HA GLY 7 2HA GLY 7 -4.540 -7.875 -8.104 50 H LYS 8 H LYS 8 -5.057 -7.738 -4.874 51 HA LYS 8 HA LYS 8 -7.761 -8.738 -4.886 52 1HB LYS 8 1HB LYS 8 -6.006 -9.454 -3.398 53 2HB LYS 8 2HB LYS 8 -5.713 -7.815 -2.829 54 1HG LYS 8 1HG LYS 8 -7.877 -7.830 -1.666 55 2HG LYS 8 2HG LYS 8 -8.212 -9.473 -2.280 56 1HD LYS 8 1HD LYS 8 -6.102 -10.216 -1.123 57 2HD LYS 8 2HD LYS 8 -5.937 -8.588 -0.454 58 1HE LYS 8 1HE LYS 8 -8.281 -10.504 -0.010 59 2HE LYS 8 2HE LYS 8 -6.996 -10.185 1.158 60 1HZ LYS 8 1HZ LYS 8 -8.906 -8.115 0.182 61 2HZ LYS 8 2HZ LYS 8 -9.011 -8.891 1.616 62 3HZ LYS 8 3HZ LYS 8 -7.753 -7.890 1.324 63 H VAL 9 H VAL 9 -9.457 -7.869 -3.474 64 HA VAL 9 HA VAL 9 -10.004 -4.966 -3.799 65 HB VAL 9 HB VAL 9 -11.706 -7.163 -2.543 66 1HG1 VAL 9 1HG1 VAL 9 -13.525 -5.478 -2.687 67 2HG1 VAL 9 2HG1 VAL 9 -12.253 -4.944 -1.592 68 3HG1 VAL 9 3HG1 VAL 9 -12.354 -4.255 -3.227 69 1HG2 VAL 9 1HG2 VAL 9 -11.472 -7.460 -4.980 70 2HG2 VAL 9 2HG2 VAL 9 -13.095 -6.896 -4.581 71 3HG2 VAL 9 3HG2 VAL 9 -11.901 -5.758 -5.246 72 HA PRO 10 HA PRO 10 -7.667 -4.943 0.038 73 1HB PRO 10 1HB PRO 10 -7.255 -2.275 0.404 74 2HB PRO 10 2HB PRO 10 -6.465 -3.207 -0.900 75 1HG PRO 10 1HG PRO 10 -8.972 -1.518 -1.125 76 2HG PRO 10 2HG PRO 10 -7.511 -1.485 -2.167 77 1HD PRO 10 1HD PRO 10 -9.719 -2.926 -2.848 78 2HD PRO 10 2HD PRO 10 -8.072 -3.535 -3.184 79 H ARG 11 H ARG 11 -8.320 -5.267 2.044 80 HA ARG 11 HA ARG 11 -10.814 -4.197 3.189 81 1HB ARG 11 1HB ARG 11 -8.513 -5.822 4.370 82 2HB ARG 11 2HB ARG 11 -9.926 -5.288 5.289 83 1HG ARG 11 1HG ARG 11 -11.424 -6.541 3.735 84 2HG ARG 11 2HG ARG 11 -10.009 -7.085 2.827 85 1HD ARG 11 1HD ARG 11 -10.656 -8.865 4.296 86 2HD ARG 11 2HD ARG 11 -9.136 -8.184 4.902 87 HE ARG 11 HE ARG 11 -11.433 -6.940 6.168 88 1HH1 ARG 11 2HH2 ARG 11 -9.583 -9.908 6.344 89 2HH1 ARG 11 1HH2 ARG 11 -10.022 -10.180 8.011 90 1HH2 ARG 11 2HH1 ARG 11 -11.942 -7.333 8.275 91 2HH2 ARG 11 1HH1 ARG 11 -11.328 -8.762 9.060 92 H ARG 12 H ARG 12 -7.316 -3.582 3.547 93 HA ARG 12 HA ARG 12 -8.026 -0.844 4.609 94 1HB ARG 12 1HB ARG 12 -5.824 -2.689 5.536 95 2HB ARG 12 2HB ARG 12 -5.801 -0.933 5.798 96 1HG ARG 12 1HG ARG 12 -7.995 -1.076 6.952 97 2HG ARG 12 2HG ARG 12 -7.984 -2.839 6.750 98 1HD ARG 12 1HD ARG 12 -5.923 -2.998 8.086 99 2HD ARG 12 2HD ARG 12 -5.876 -1.244 8.280 100 HE ARG 12 HE ARG 12 -7.610 -3.165 9.670 101 1HH1 ARG 12 2HH2 ARG 12 -7.264 0.254 8.973 102 2HH1 ARG 12 1HH2 ARG 12 -8.302 0.705 10.299 103 1HH2 ARG 12 2HH1 ARG 12 -8.923 -2.515 11.310 104 2HH2 ARG 12 1HH1 ARG 12 -9.208 -0.819 11.572 105 HA PRO 13 HA PRO 13 -5.983 -0.282 0.528 106 1HB PRO 13 1HB PRO 13 -7.122 2.249 0.136 107 2HB PRO 13 2HB PRO 13 -7.771 0.693 -0.453 108 1HG PRO 13 1HG PRO 13 -8.494 2.156 2.104 109 2HG PRO 13 2HG PRO 13 -9.596 1.419 0.890 110 1HD PRO 13 1HD PRO 13 -9.062 0.030 3.077 111 2HD PRO 13 2HD PRO 13 -8.847 -0.788 1.483 112 H VAL 14 H VAL 14 -4.134 0.353 0.473 113 HA VAL 14 HA VAL 14 -2.959 2.549 2.158 114 HB VAL 14 HB VAL 14 -2.521 -0.409 2.215 115 1HG1 VAL 14 1HG1 VAL 14 -0.333 0.189 1.343 116 2HG1 VAL 14 2HG1 VAL 14 -0.139 1.423 2.594 117 3HG1 VAL 14 3HG1 VAL 14 -0.252 -0.317 3.012 118 1HG2 VAL 14 1HG2 VAL 14 -1.981 0.109 4.570 119 2HG2 VAL 14 2HG2 VAL 14 -2.027 1.831 4.203 120 3HG2 VAL 14 3HG2 VAL 14 -3.515 0.855 4.096 121 H LEU 15 H LEU 15 -1.296 3.656 1.339 122 HA LEU 15 HA LEU 15 -0.356 3.046 -1.440 123 1HB LEU 15 1HB LEU 15 -2.203 4.557 -1.548 124 2HB LEU 15 2HB LEU 15 -1.584 5.589 -0.282 125 HG LEU 15 HG LEU 15 0.055 5.299 -2.809 126 1HD1 LEU 15 1HD1 LEU 15 -2.427 7.047 -2.543 127 2HD1 LEU 15 2HD1 LEU 15 -1.240 7.116 -3.866 128 3HD1 LEU 15 3HD1 LEU 15 -2.231 5.669 -3.646 129 1HD2 LEU 15 1HD2 LEU 15 -0.597 7.738 -1.097 130 2HD2 LEU 15 2HD2 LEU 15 0.842 6.742 -0.860 131 3HD2 LEU 15 3HD2 LEU 15 0.625 7.622 -2.378 132 H SER 16 H SER 16 1.611 4.067 -2.023 133 HA SER 16 HA SER 16 3.279 5.310 0.087 134 1HB SER 16 1HB SER 16 4.268 3.211 0.103 135 2HB SER 16 2HB SER 16 4.054 2.980 -1.628 136 HG SER 16 HG SER 16 6.041 3.564 -1.636 137 HA PRO 17 HA PRO 17 3.232 8.409 -3.164 138 1HB PRO 17 1HB PRO 17 5.768 9.292 -1.779 139 2HB PRO 17 2HB PRO 17 4.385 10.286 -2.346 140 1HG PRO 17 1HG PRO 17 4.607 9.647 0.266 141 2HG PRO 17 2HG PRO 17 3.009 9.516 -0.543 142 1HD PRO 17 1HD PRO 17 4.995 7.313 0.072 143 2HD PRO 17 2HD PRO 17 3.217 7.347 0.286 144 H LYS 18 H LYS 18 5.773 6.137 -2.868 145 HA LYS 18 HA LYS 18 7.351 7.071 -5.209 146 1HB LYS 18 1HB LYS 18 7.653 4.401 -3.817 147 2HB LYS 18 2HB LYS 18 8.819 5.272 -4.776 148 1HG LYS 18 1HG LYS 18 8.952 7.001 -2.918 149 2HG LYS 18 2HG LYS 18 7.821 5.996 -1.986 150 1HD LYS 18 1HD LYS 18 9.566 4.063 -2.546 151 2HD LYS 18 2HD LYS 18 10.667 5.425 -2.796 152 1HE LYS 18 1HE LYS 18 10.972 4.667 -0.566 153 2HE LYS 18 2HE LYS 18 10.074 6.185 -0.429 154 1HZ LYS 18 1HZ LYS 18 9.265 4.186 0.911 155 2HZ LYS 18 2HZ LYS 18 8.079 4.931 0.007 156 3HZ LYS 18 3HZ LYS 18 8.741 3.525 -0.473 157 H SER 19 H SER 19 5.656 4.097 -4.330 158 HA SER 19 HA SER 19 5.324 3.003 -6.931 159 1HB SER 19 1HB SER 19 3.779 2.563 -4.345 160 2HB SER 19 2HB SER 19 3.544 1.600 -5.811 161 HG SER 19 HG SER 19 5.803 1.813 -4.145 162 H ARG 20 H ARG 20 3.299 5.347 -5.268 163 HA ARG 20 HA ARG 20 1.306 6.413 -5.809 164 1HB ARG 20 1HB ARG 20 2.578 6.350 -8.574 165 2HB ARG 20 2HB ARG 20 1.266 7.420 -8.059 166 1HG ARG 20 1HG ARG 20 2.758 8.391 -6.296 167 2HG ARG 20 2HG ARG 20 4.068 7.355 -6.875 168 1HD ARG 20 1HD ARG 20 4.398 9.523 -7.808 169 2HD ARG 20 2HD ARG 20 3.925 8.419 -9.113 170 HE ARG 20 HE ARG 20 1.614 9.782 -8.007 171 1HH1 ARG 20 2HH2 ARG 20 4.303 10.426 -10.155 172 2HH1 ARG 20 1HH2 ARG 20 3.433 11.675 -11.007 173 1HH2 ARG 20 2HH1 ARG 20 0.569 11.372 -9.125 174 2HH2 ARG 20 1HH1 ARG 20 1.377 12.191 -10.433 175 H THR 21 H THR 21 0.758 3.911 -5.453 176 HA THR 21 HA THR 21 -1.610 3.338 -7.162 177 HB THR 21 HB THR 21 0.276 1.795 -7.896 178 HG1 THR 21 1HG THR 21 -0.982 0.018 -7.831 179 1HG2 THR 21 1HG2 THR 21 -0.024 0.436 -5.219 180 2HG2 THR 21 2HG2 THR 21 1.248 0.248 -6.449 181 3HG2 THR 21 3HG2 THR 21 1.216 1.684 -5.451 182 H ILE 22 H ILE 22 -2.941 1.496 -5.877 183 HA ILE 22 HA ILE 22 -2.715 1.958 -2.939 184 HB ILE 22 HB ILE 22 -5.298 1.788 -4.477 185 1HG1 ILE 22 1HG1 ILE 22 -4.183 4.093 -2.806 186 2HG1 ILE 22 2HG1 ILE 22 -4.155 4.043 -4.568 187 1HG2 ILE 22 1HG2 ILE 22 -6.391 2.035 -2.270 188 2HG2 ILE 22 2HG2 ILE 22 -5.402 0.591 -2.295 189 3HG2 ILE 22 3HG2 ILE 22 -4.800 2.048 -1.477 190 1HD1 ILE 22 1HD1 ILE 22 -6.647 4.178 -2.839 191 2HD1 ILE 22 2HD1 ILE 22 -5.979 5.435 -3.889 192 3HD1 ILE 22 3HD1 ILE 22 -6.640 3.952 -4.610 193 H PHE 23 H PHE 23 -2.186 0.188 -2.075 194 HA PHE 23 HA PHE 23 -3.127 -2.442 -3.083 195 1HB PHE 23 1HB PHE 23 -0.928 -3.198 -1.638 196 2HB PHE 23 2HB PHE 23 -0.974 -3.034 -3.379 197 HD1 PHE 23 1HD PHE 23 0.905 -2.020 -4.250 198 HD2 PHE 23 2HD PHE 23 -0.492 -0.890 -0.432 199 HE1 PHE 23 1HE PHE 23 2.615 -0.241 -4.234 200 HE2 PHE 23 2HE PHE 23 1.199 1.027 -0.366 201 HZ PHE 23 HZ PHE 23 2.772 1.302 -2.278 202 H GLU 24 H GLU 24 -3.025 -4.116 -1.462 203 HA GLU 24 HA GLU 24 -4.752 -3.288 0.734 204 1HB GLU 24 1HB GLU 24 -5.467 -5.248 -0.241 205 2HB GLU 24 2HB GLU 24 -3.893 -5.897 -0.410 206 1HG GLU 24 1HG GLU 24 -4.812 -7.233 1.238 207 2HG GLU 24 2HG GLU 24 -3.874 -6.106 2.202 208 H LYS 25 H LYS 25 -4.022 -2.883 2.890 209 HA LYS 25 HA LYS 25 -1.419 -2.249 3.583 210 1HB LYS 25 1HB LYS 25 -3.440 -1.669 4.893 211 2HB LYS 25 2HB LYS 25 -3.624 -3.358 5.371 212 1HG LYS 25 1HG LYS 25 -1.489 -3.298 6.585 213 2HG LYS 25 2HG LYS 25 -1.174 -1.649 6.011 214 1HD LYS 25 1HD LYS 25 -3.202 -0.859 7.196 215 2HD LYS 25 2HD LYS 25 -3.508 -2.493 7.798 216 1HE LYS 25 1HE LYS 25 -0.944 -0.929 8.346 217 2HE LYS 25 2HE LYS 25 -2.366 -0.846 9.384 218 1HZ LYS 25 1HZ LYS 25 -0.736 -3.294 8.877 219 2HZ LYS 25 2HZ LYS 25 -0.875 -2.473 10.262 220 3HZ LYS 25 3HZ LYS 25 -2.163 -3.291 9.694 221 H SER 26 H SER 26 -3.157 -5.273 3.995 222 HA SER 26 HA SER 26 -1.272 -6.637 5.465 223 1HB SER 26 1HB SER 26 -3.167 -7.934 3.473 224 2HB SER 26 2HB SER 26 -2.418 -8.714 4.880 225 HG SER 26 HG SER 26 -4.534 -8.018 5.372 226 H LEU 27 H LEU 27 -1.356 -6.310 1.928 227 HA LEU 27 HA LEU 27 0.726 -8.360 1.503 228 1HB LEU 27 1HB LEU 27 0.340 -6.549 -0.735 229 2HB LEU 27 2HB LEU 27 0.249 -8.299 -0.670 230 HG LEU 27 HG LEU 27 -2.006 -6.485 0.141 231 1HD1 LEU 27 1HD1 LEU 27 -2.906 -6.919 -2.153 232 2HD1 LEU 27 2HD1 LEU 27 -1.450 -5.911 -2.087 233 3HD1 LEU 27 3HD1 LEU 27 -1.327 -7.630 -2.550 234 1HD2 LEU 27 1HD2 LEU 27 -2.025 -9.400 -0.706 235 2HD2 LEU 27 2HD2 LEU 27 -2.287 -8.781 0.940 236 3HD2 LEU 27 3HD2 LEU 27 -3.457 -8.411 -0.325 237 H LEU 28 H LEU 28 0.465 -4.802 1.613 238 HA LEU 28 HA LEU 28 3.178 -4.338 0.734 239 1HB LEU 28 1HB LEU 28 1.444 -2.522 0.780 240 2HB LEU 28 2HB LEU 28 1.550 -2.525 2.543 241 HG LEU 28 HG LEU 28 4.095 -2.085 2.253 242 1HD1 LEU 28 1HD1 LEU 28 3.179 -1.517 -0.593 243 2HD1 LEU 28 2HD1 LEU 28 4.720 -0.985 0.097 244 3HD1 LEU 28 3HD1 LEU 28 4.394 -2.707 -0.081 245 1HD2 LEU 28 1HD2 LEU 28 3.781 0.315 1.884 246 2HD2 LEU 28 2HD2 LEU 28 2.126 0.002 1.323 247 3HD2 LEU 28 3HD2 LEU 28 2.578 -0.363 2.995 248 H GLU 29 H GLU 29 1.642 -4.649 3.944 249 HA GLU 29 HA GLU 29 3.876 -4.375 5.637 250 1HB GLU 29 1HB GLU 29 1.482 -4.406 6.265 251 2HB GLU 29 2HB GLU 29 1.441 -6.156 6.015 252 1HG GLU 29 1HG GLU 29 3.128 -6.436 7.804 253 2HG GLU 29 2HG GLU 29 3.216 -4.680 8.006 254 H GLN 30 H GLN 30 2.658 -7.305 3.980 255 HA GLN 30 HA GLN 30 4.604 -9.141 5.008 256 1HB GLN 30 1HB GLN 30 2.485 -9.665 3.703 257 2HB GLN 30 2HB GLN 30 3.344 -9.224 2.233 258 1HG GLN 30 1HG GLN 30 5.042 -10.970 2.677 259 2HG GLN 30 2HG GLN 30 4.212 -11.408 4.174 260 1HE2 GLN 30 1HE2 GLN 30 2.135 -12.552 4.027 261 2HE2 GLN 30 2HE2 GLN 30 1.665 -13.278 2.491 262 H TYR 31 H TYR 31 4.623 -7.128 2.060 263 HA TYR 31 HA TYR 31 7.108 -8.148 1.023 264 1HB TYR 31 1HB TYR 31 5.227 -7.189 -0.298 265 2HB TYR 31 2HB TYR 31 5.577 -5.604 0.373 266 HD1 TYR 31 1HD TYR 31 7.484 -8.400 -1.271 267 HD2 TYR 31 2HD TYR 31 6.756 -4.172 -1.062 268 HE1 TYR 31 1HE TYR 31 8.980 -8.026 -3.273 269 HE2 TYR 31 2HE TYR 31 8.393 -3.823 -2.919 270 HH TYR 31 HH TYR 31 9.984 -6.504 -4.619 271 H VAL 32 H VAL 32 6.253 -5.368 2.970 272 HA VAL 32 HA VAL 32 8.871 -4.222 2.787 273 HB VAL 32 HB VAL 32 6.584 -3.084 3.017 274 1HG1 VAL 32 1HG1 VAL 32 7.116 -3.214 6.018 275 2HG1 VAL 32 2HG1 VAL 32 5.704 -2.546 5.166 276 3HG1 VAL 32 3HG1 VAL 32 5.994 -4.283 5.170 277 1HG2 VAL 32 1HG2 VAL 32 8.872 -2.013 4.720 278 2HG2 VAL 32 2HG2 VAL 32 8.528 -1.688 2.994 279 3HG2 VAL 32 3HG2 VAL 32 7.424 -1.109 4.238 280 H LYS 33 H LYS 33 7.459 -6.450 4.908 281 HA LYS 33 HA LYS 33 9.669 -6.374 6.938 282 1HB LYS 33 1HB LYS 33 7.272 -8.228 6.566 283 2HB LYS 33 2HB LYS 33 8.504 -8.437 7.830 284 1HG LYS 33 1HG LYS 33 8.062 -6.215 8.711 285 2HG LYS 33 2HG LYS 33 6.890 -5.899 7.424 286 1HD LYS 33 1HD LYS 33 5.458 -7.742 8.245 287 2HD LYS 33 2HD LYS 33 6.603 -8.085 9.548 288 1HE LYS 33 1HE LYS 33 5.158 -5.420 9.152 289 2HE LYS 33 2HE LYS 33 4.574 -6.717 10.198 290 1HZ LYS 33 1HZ LYS 33 6.624 -6.513 11.504 291 2HZ LYS 33 2HZ LYS 33 7.160 -5.294 10.557 292 3HZ LYS 33 3HZ LYS 33 5.828 -5.091 11.474 293 H ASP 34 H ASP 34 8.886 -7.838 4.055 294 HA ASP 34 HA ASP 34 10.756 -10.114 4.060 295 1HB ASP 34 1HB ASP 34 8.781 -9.006 2.234 296 2HB ASP 34 2HB ASP 34 10.251 -9.263 1.358 297 H THR 35 H THR 35 10.772 -7.015 2.303 298 HA THR 35 HA THR 35 13.787 -6.956 2.316 299 HB THR 35 HB THR 35 13.743 -6.047 0.047 300 HG1 THR 35 1HG THR 35 11.007 -6.770 -0.012 301 1HG2 THR 35 1HG2 THR 35 14.013 -8.499 0.286 302 2HG2 THR 35 2HG2 THR 35 12.257 -8.704 0.107 303 3HG2 THR 35 3HG2 THR 35 13.215 -8.038 -1.232 304 H GLY 36 H GLY 36 10.770 -5.251 2.617 305 1HA GLY 36 1HA GLY 36 10.445 -3.116 3.524 306 2HA GLY 36 2HA GLY 36 12.133 -2.724 3.314 307 H ASN 37 H ASN 37 11.510 -4.001 0.370 308 HA ASN 37 HA ASN 37 11.701 -1.442 -0.857 309 1HB ASN 37 1HB ASN 37 11.104 -4.228 -1.928 310 2HB ASN 37 2HB ASN 37 11.422 -2.847 -2.951 311 1HD2 ASN 37 1HD2 ASN 37 12.984 -5.169 -3.066 312 2HD2 ASN 37 2HD2 ASN 37 14.599 -4.724 -2.521 313 H ASP 38 H ASP 38 10.343 -0.300 -2.192 314 HA ASP 38 HA ASP 38 7.435 -0.578 -2.001 315 1HB ASP 38 1HB ASP 38 9.376 1.280 -3.314 316 2HB ASP 38 2HB ASP 38 7.918 0.997 -4.233 317 HA PRO 39 HA PRO 39 7.300 -3.913 -4.909 318 1HB PRO 39 1HB PRO 39 4.690 -3.934 -5.742 319 2HB PRO 39 2HB PRO 39 5.229 -4.349 -4.082 320 1HG PRO 39 1HG PRO 39 4.246 -1.655 -5.088 321 2HG PRO 39 2HG PRO 39 3.627 -2.593 -3.684 322 1HD PRO 39 1HD PRO 39 5.435 -0.644 -3.297 323 2HD PRO 39 2HD PRO 39 5.626 -2.200 -2.437 324 H ILE 40 H ILE 40 7.179 -0.752 -6.110 325 HA ILE 40 HA ILE 40 7.141 -1.670 -8.982 326 HB ILE 40 HB ILE 40 5.843 0.733 -7.696 327 1HG1 ILE 40 1HG1 ILE 40 4.702 -1.141 -9.814 328 2HG1 ILE 40 2HG1 ILE 40 4.707 -1.619 -8.119 329 1HG2 ILE 40 1HG2 ILE 40 6.468 0.381 -10.662 330 2HG2 ILE 40 2HG2 ILE 40 5.338 1.580 -10.004 331 3HG2 ILE 40 3HG2 ILE 40 7.044 1.684 -9.602 332 1HD1 ILE 40 1HD1 ILE 40 3.415 0.294 -7.470 333 2HD1 ILE 40 2HD1 ILE 40 3.384 0.921 -9.134 334 3HD1 ILE 40 3HD1 ILE 40 2.570 -0.603 -8.746 335 H THR 41 H THR 41 8.403 0.838 -6.743 336 HA THR 41 HA THR 41 10.524 1.535 -8.682 337 HB THR 41 HB THR 41 11.236 3.211 -7.021 338 HG1 THR 41 1HG THR 41 8.832 2.411 -5.827 339 1HG2 THR 41 1HG2 THR 41 8.281 3.353 -7.780 340 2HG2 THR 41 2HG2 THR 41 9.323 4.711 -7.312 341 3HG2 THR 41 3HG2 THR 41 9.646 3.831 -8.816 342 H ASN 42 H ASN 42 10.153 -0.735 -6.155 343 HA ASN 42 HA ASN 42 11.321 -1.683 -4.629 344 1HB ASN 42 1HB ASN 42 13.001 -3.070 -5.321 345 2HB ASN 42 2HB ASN 42 11.888 -2.910 -6.654 346 1HD2 ASN 42 1HD2 ASN 42 14.974 -1.450 -5.497 347 2HD2 ASN 42 2HD2 ASN 42 15.679 -1.351 -7.118 348 H GLU 43 H GLU 43 11.550 1.167 -4.501 349 HA GLU 43 HA GLU 43 14.177 1.814 -3.425 350 1HB GLU 43 1HB GLU 43 11.429 3.033 -3.151 351 2HB GLU 43 2HB GLU 43 12.863 3.760 -2.430 352 1HG GLU 43 1HG GLU 43 13.136 3.096 -5.334 353 2HG GLU 43 2HG GLU 43 11.872 4.237 -4.965 354 HA PRO 44 HA PRO 44 13.546 -0.566 0.268 355 1HB PRO 44 1HB PRO 44 15.624 0.283 1.853 356 2HB PRO 44 2HB PRO 44 15.822 -0.760 0.414 357 1HG PRO 44 1HG PRO 44 16.160 2.250 0.598 358 2HG PRO 44 2HG PRO 44 17.259 1.054 -0.158 359 1HD PRO 44 1HD PRO 44 15.472 2.479 -1.629 360 2HD PRO 44 2HD PRO 44 15.820 0.765 -2.015 361 H LEU 45 H LEU 45 12.181 -0.414 1.795 362 HA LEU 45 HA LEU 45 10.971 0.074 3.571 363 1HB LEU 45 1HB LEU 45 12.726 2.479 4.000 364 2HB LEU 45 2HB LEU 45 11.307 2.160 4.982 365 HG LEU 45 HG LEU 45 13.423 0.006 4.601 366 1HD1 LEU 45 1HD1 LEU 45 14.576 2.006 5.463 367 2HD1 LEU 45 2HD1 LEU 45 13.361 2.164 6.753 368 3HD1 LEU 45 3HD1 LEU 45 14.449 0.758 6.711 369 1HD2 LEU 45 1HD2 LEU 45 11.402 0.554 6.821 370 2HD2 LEU 45 2HD2 LEU 45 11.268 -0.715 5.585 371 3HD2 LEU 45 3HD2 LEU 45 12.567 -0.782 6.772 372 H SER 46 H SER 46 9.012 0.761 3.839 373 HA SER 46 HA SER 46 7.798 2.583 1.834 374 1HB SER 46 1HB SER 46 7.902 -0.008 1.287 375 2HB SER 46 2HB SER 46 6.489 -0.053 2.336 376 HG SER 46 HG SER 46 6.892 1.512 -0.010 377 H ILE 47 H ILE 47 7.119 0.468 4.594 378 HA ILE 47 HA ILE 47 4.970 1.808 5.669 379 HB ILE 47 HB ILE 47 5.854 -0.471 6.269 380 1HG1 ILE 47 1HG1 ILE 47 5.363 -0.468 8.697 381 2HG1 ILE 47 2HG1 ILE 47 5.309 1.299 8.677 382 1HG2 ILE 47 1HG2 ILE 47 8.262 0.136 6.554 383 2HG2 ILE 47 2HG2 ILE 47 7.843 0.943 8.082 384 3HG2 ILE 47 3HG2 ILE 47 7.602 -0.797 7.896 385 1HD1 ILE 47 1HD1 ILE 47 3.053 0.204 8.493 386 2HD1 ILE 47 2HD1 ILE 47 3.433 1.239 7.107 387 3HD1 ILE 47 3HD1 ILE 47 3.569 -0.523 6.948 388 H GLU 48 H GLU 48 8.259 2.681 6.002 389 HA GLU 48 HA GLU 48 7.936 4.748 8.025 390 1HB GLU 48 1HB GLU 48 10.112 4.265 5.948 391 2HB GLU 48 2HB GLU 48 10.213 5.453 7.243 392 1HG GLU 48 1HG GLU 48 9.998 2.438 7.641 393 2HG GLU 48 2HG GLU 48 11.469 3.387 7.746 394 H GLU 49 H GLU 49 6.851 4.467 4.876 395 HA GLU 49 HA GLU 49 6.625 7.438 4.515 396 1HB GLU 49 1HB GLU 49 7.298 5.374 2.377 397 2HB GLU 49 2HB GLU 49 6.953 7.068 2.049 398 1HG GLU 49 1HG GLU 49 9.321 5.978 3.622 399 2HG GLU 49 2HG GLU 49 9.345 6.593 1.981 400 H ILE 50 H ILE 50 4.915 4.877 5.214 401 HA ILE 50 HA ILE 50 3.004 4.589 3.226 402 HB ILE 50 HB ILE 50 3.500 3.087 5.136 403 1HG1 ILE 50 1HG1 ILE 50 0.518 3.484 4.755 404 2HG1 ILE 50 2HG1 ILE 50 1.584 2.832 3.503 405 1HG2 ILE 50 1HG2 ILE 50 3.177 4.819 6.966 406 2HG2 ILE 50 2HG2 ILE 50 1.432 4.705 6.694 407 3HG2 ILE 50 3HG2 ILE 50 2.336 3.298 7.263 408 1HD1 ILE 50 1HD1 ILE 50 1.220 1.595 6.265 409 2HD1 ILE 50 2HD1 ILE 50 0.497 1.022 4.770 410 3HD1 ILE 50 3HD1 ILE 50 2.256 0.981 4.947 411 H VAL 51 H VAL 51 1.115 5.175 2.807 412 HA VAL 51 HA VAL 51 -0.384 7.347 4.262 413 HB VAL 51 HB VAL 51 -0.347 6.864 1.262 414 1HG1 VAL 51 1HG1 VAL 51 -2.571 7.625 2.012 415 2HG1 VAL 51 2HG1 VAL 51 -1.821 8.958 2.916 416 3HG1 VAL 51 3HG1 VAL 51 -1.736 8.913 1.145 417 1HG2 VAL 51 1HG2 VAL 51 0.727 9.200 2.901 418 2HG2 VAL 51 2HG2 VAL 51 1.702 8.011 2.012 419 3HG2 VAL 51 3HG2 VAL 51 0.653 9.121 1.126 420 H GLU 52 H GLU 52 -1.685 6.024 5.494 421 HA GLU 52 HA GLU 52 -3.063 3.731 4.226 422 1HB GLU 52 1HB GLU 52 -3.462 4.596 7.089 423 2HB GLU 52 2HB GLU 52 -3.703 3.007 6.344 424 1HG GLU 52 1HG GLU 52 -1.283 2.699 6.149 425 2HG GLU 52 2HG GLU 52 -0.990 4.311 6.801 426 H ILE 53 H ILE 53 -4.979 3.930 3.269 427 HA ILE 53 HA ILE 53 -6.760 6.249 3.741 428 HB ILE 53 HB ILE 53 -6.956 3.946 1.750 429 1HG1 ILE 53 1HG1 ILE 53 -6.524 6.151 0.200 430 2HG1 ILE 53 2HG1 ILE 53 -5.585 6.619 1.603 431 1HG2 ILE 53 1HG2 ILE 53 -8.601 5.389 0.581 432 2HG2 ILE 53 2HG2 ILE 53 -9.165 4.858 2.149 433 3HG2 ILE 53 3HG2 ILE 53 -8.554 6.525 1.946 434 1HD1 ILE 53 1HD1 ILE 53 -5.265 4.047 -0.029 435 2HD1 ILE 53 2HD1 ILE 53 -4.227 5.480 -0.114 436 3HD1 ILE 53 3HD1 ILE 53 -4.254 4.499 1.357 437 H VAL 54 H VAL 54 -8.994 5.883 4.326 438 HA VAL 54 HA VAL 54 -9.337 4.164 6.569 439 HB VAL 54 HB VAL 54 -11.746 4.814 6.472 440 1HG1 VAL 54 1HG1 VAL 54 -10.067 6.193 7.639 441 2HG1 VAL 54 2HG1 VAL 54 -9.799 7.133 6.156 442 3HG1 VAL 54 3HG1 VAL 54 -11.382 7.170 6.958 443 1HG2 VAL 54 1HG2 VAL 54 -12.058 5.022 4.018 444 2HG2 VAL 54 2HG2 VAL 54 -12.527 6.492 4.885 445 3HG2 VAL 54 3HG2 VAL 54 -10.991 6.440 4.003 446 HA PRO 55 HA PRO 55 -10.721 0.348 4.736 447 1HB PRO 55 1HB PRO 55 -12.090 -0.840 6.774 448 2HB PRO 55 2HB PRO 55 -10.325 -0.568 6.827 449 1HG PRO 55 1HG PRO 55 -12.499 1.177 8.028 450 2HG PRO 55 2HG PRO 55 -11.027 0.534 8.829 451 1HD PRO 55 1HD PRO 55 -11.100 3.046 7.794 452 2HD PRO 55 2HD PRO 55 -9.625 2.042 7.672 453 H SER 56 H SER 56 -12.991 2.779 5.643 454 HA SER 56 HA SER 56 -15.500 1.725 5.323 455 1HB SER 56 1HB SER 56 -14.583 4.441 4.299 456 2HB SER 56 2HB SER 56 -16.227 3.985 4.795 457 HG SER 56 HG SER 56 -15.148 5.074 6.478 Start of MODEL 3 1 H MET 1 H MET 1 -6.230 2.180 -8.738 2 HA MET 1 HA MET 1 -6.649 1.625 -6.441 3 1HB MET 1 1HB MET 1 -9.136 0.896 -8.045 4 2HB MET 1 2HB MET 1 -9.118 1.249 -6.319 5 1HG MET 1 1HG MET 1 -8.410 3.161 -8.564 6 2HG MET 1 2HG MET 1 -9.856 3.198 -7.565 7 1HE MET 1 1HE MET 1 -8.469 4.407 -4.080 8 2HE MET 1 2HE MET 1 -9.891 3.853 -4.989 9 3HE MET 1 3HE MET 1 -8.601 2.704 -4.561 10 H LEU 2 H LEU 2 -6.061 -0.971 -8.326 11 HA LEU 2 HA LEU 2 -6.621 -2.970 -6.150 12 1HB LEU 2 1HB LEU 2 -5.959 -3.440 -9.086 13 2HB LEU 2 2HB LEU 2 -6.190 -4.703 -7.878 14 HG LEU 2 HG LEU 2 -8.338 -2.754 -8.827 15 1HD1 LEU 2 1HD1 LEU 2 -7.709 -4.448 -10.501 16 2HD1 LEU 2 2HD1 LEU 2 -7.963 -5.738 -9.304 17 3HD1 LEU 2 3HD1 LEU 2 -9.336 -4.747 -9.861 18 1HD2 LEU 2 1HD2 LEU 2 -9.900 -4.232 -7.579 19 2HD2 LEU 2 2HD2 LEU 2 -8.511 -5.120 -6.907 20 3HD2 LEU 2 3HD2 LEU 2 -8.778 -3.404 -6.499 21 H CYS 3 H CYS 3 -5.070 -4.440 -5.493 22 HA CYS 3 HA CYS 3 -2.816 -2.927 -4.759 23 1HB CYS 3 1HB CYS 3 -3.944 -4.409 -3.235 24 2HB CYS 3 2HB CYS 3 -3.792 -5.740 -4.328 25 HG CYS 3 HG CYS 3 -2.388 -6.195 -2.226 26 H ALA 4 H ALA 4 -0.807 -3.109 -5.010 27 HA ALA 4 HA ALA 4 0.170 -4.075 -7.669 28 1HB ALA 4 1HB ALA 4 2.063 -2.691 -7.440 29 2HB ALA 4 2HB ALA 4 0.660 -1.717 -6.960 30 3HB ALA 4 3HB ALA 4 1.768 -2.390 -5.734 31 H ILE 5 H ILE 5 0.316 -4.999 -4.349 32 HA ILE 5 HA ILE 5 2.685 -6.732 -4.618 33 HB ILE 5 HB ILE 5 0.561 -6.499 -2.454 34 1HG1 ILE 5 1HG1 ILE 5 2.865 -5.989 -1.193 35 2HG1 ILE 5 2HG1 ILE 5 3.364 -5.485 -2.800 36 1HG2 ILE 5 1HG2 ILE 5 2.999 -8.360 -2.672 37 2HG2 ILE 5 2HG2 ILE 5 2.096 -8.101 -1.176 38 3HG2 ILE 5 3HG2 ILE 5 1.300 -8.871 -2.547 39 1HD1 ILE 5 1HD1 ILE 5 0.904 -4.501 -1.270 40 2HD1 ILE 5 2HD1 ILE 5 2.434 -3.627 -1.418 41 3HD1 ILE 5 3HD1 ILE 5 1.435 -3.893 -2.853 42 H SER 6 H SER 6 -0.887 -7.329 -4.487 43 HA SER 6 HA SER 6 -0.407 -9.767 -6.139 44 1HB SER 6 1HB SER 6 -0.481 -10.179 -3.569 45 2HB SER 6 2HB SER 6 -2.240 -10.015 -3.786 46 HG SER 6 HG SER 6 -1.495 -12.189 -3.992 47 H GLY 7 H GLY 7 -2.408 -6.988 -5.819 48 1HA GLY 7 1HA GLY 7 -3.953 -6.401 -7.488 49 2HA GLY 7 2HA GLY 7 -3.994 -8.086 -7.969 50 H LYS 8 H LYS 8 -4.392 -7.986 -4.820 51 HA LYS 8 HA LYS 8 -7.124 -8.787 -4.541 52 1HB LYS 8 1HB LYS 8 -5.200 -9.270 -3.050 53 2HB LYS 8 2HB LYS 8 -5.097 -7.565 -2.606 54 1HG LYS 8 1HG LYS 8 -7.329 -7.729 -1.510 55 2HG LYS 8 2HG LYS 8 -7.461 -9.427 -2.038 56 1HD LYS 8 1HD LYS 8 -5.312 -9.908 -0.821 57 2HD LYS 8 2HD LYS 8 -5.325 -8.238 -0.214 58 1HE LYS 8 1HE LYS 8 -7.587 -8.713 0.823 59 2HE LYS 8 2HE LYS 8 -7.433 -10.393 0.290 60 1HZ LYS 8 1HZ LYS 8 -5.357 -10.494 1.658 61 2HZ LYS 8 2HZ LYS 8 -5.685 -8.981 2.240 62 3HZ LYS 8 3HZ LYS 8 -6.692 -10.233 2.549 63 H VAL 9 H VAL 9 -8.936 -7.677 -4.014 64 HA VAL 9 HA VAL 9 -9.225 -4.810 -4.438 65 HB VAL 9 HB VAL 9 -11.159 -6.779 -3.149 66 1HG1 VAL 9 1HG1 VAL 9 -12.864 -5.058 -3.716 67 2HG1 VAL 9 2HG1 VAL 9 -11.689 -4.430 -2.561 68 3HG1 VAL 9 3HG1 VAL 9 -11.578 -3.962 -4.273 69 1HG2 VAL 9 1HG2 VAL 9 -11.021 -5.731 -6.012 70 2HG2 VAL 9 2HG2 VAL 9 -10.672 -7.394 -5.498 71 3HG2 VAL 9 3HG2 VAL 9 -12.306 -6.747 -5.333 72 HA PRO 10 HA PRO 10 -7.148 -4.297 -0.521 73 1HB PRO 10 1HB PRO 10 -7.986 -1.413 -0.799 74 2HB PRO 10 2HB PRO 10 -6.394 -2.101 -0.347 75 1HG PRO 10 1HG PRO 10 -6.818 -1.202 -2.856 76 2HG PRO 10 2HG PRO 10 -5.970 -2.763 -2.606 77 1HD PRO 10 1HD PRO 10 -8.895 -2.303 -3.264 78 2HD PRO 10 2HD PRO 10 -7.734 -3.424 -4.020 79 H ARG 11 H ARG 11 -8.222 -5.263 1.109 80 HA ARG 11 HA ARG 11 -10.728 -4.517 2.318 81 1HB ARG 11 1HB ARG 11 -8.300 -5.804 3.638 82 2HB ARG 11 2HB ARG 11 -9.933 -5.751 4.304 83 1HG ARG 11 1HG ARG 11 -10.767 -7.097 2.376 84 2HG ARG 11 2HG ARG 11 -9.106 -7.240 1.776 85 1HD ARG 11 1HD ARG 11 -10.161 -8.228 4.455 86 2HD ARG 11 2HD ARG 11 -9.744 -9.238 3.063 87 HE ARG 11 HE ARG 11 -7.389 -7.853 3.560 88 1HH1 ARG 11 2HH2 ARG 11 -9.300 -9.850 5.721 89 2HH1 ARG 11 1HH2 ARG 11 -7.919 -10.141 6.748 90 1HH2 ARG 11 2HH1 ARG 11 -5.811 -8.213 4.784 91 2HH2 ARG 11 1HH1 ARG 11 -5.932 -9.210 6.240 92 H ARG 12 H ARG 12 -7.401 -3.691 3.250 93 HA ARG 12 HA ARG 12 -8.352 -1.112 4.493 94 1HB ARG 12 1HB ARG 12 -6.038 -2.912 5.243 95 2HB ARG 12 2HB ARG 12 -6.257 -1.264 5.857 96 1HG ARG 12 1HG ARG 12 -8.435 -1.899 6.840 97 2HG ARG 12 2HG ARG 12 -8.259 -3.547 6.210 98 1HD ARG 12 1HD ARG 12 -6.217 -3.862 7.559 99 2HD ARG 12 2HD ARG 12 -6.384 -2.211 8.200 100 HE ARG 12 HE ARG 12 -8.827 -3.454 8.740 101 1HH1 ARG 12 2HH2 ARG 12 -5.529 -4.095 9.727 102 2HH1 ARG 12 1HH2 ARG 12 -6.035 -4.802 11.240 103 1HH2 ARG 12 2HH1 ARG 12 -9.394 -4.367 10.661 104 2HH2 ARG 12 1HH1 ARG 12 -8.162 -4.959 11.739 105 HA PRO 13 HA PRO 13 -6.090 -0.120 0.616 106 1HB PRO 13 1HB PRO 13 -7.178 2.425 0.265 107 2HB PRO 13 2HB PRO 13 -7.854 0.906 -0.367 108 1HG PRO 13 1HG PRO 13 -8.583 2.308 2.224 109 2HG PRO 13 2HG PRO 13 -9.682 1.647 0.966 110 1HD PRO 13 1HD PRO 13 -9.220 0.155 3.109 111 2HD PRO 13 2HD PRO 13 -9.000 -0.600 1.486 112 H VAL 14 H VAL 14 -4.241 0.495 0.589 113 HA VAL 14 HA VAL 14 -3.080 2.639 2.339 114 HB VAL 14 HB VAL 14 -2.643 -0.312 2.394 115 1HG1 VAL 14 1HG1 VAL 14 -0.273 1.525 2.838 116 2HG1 VAL 14 2HG1 VAL 14 -0.381 -0.222 3.217 117 3HG1 VAL 14 3HG1 VAL 14 -0.435 0.322 1.552 118 1HG2 VAL 14 1HG2 VAL 14 -2.133 0.204 4.755 119 2HG2 VAL 14 2HG2 VAL 14 -2.154 1.923 4.395 120 3HG2 VAL 14 3HG2 VAL 14 -3.656 0.965 4.266 121 H LEU 15 H LEU 15 -1.361 3.695 1.606 122 HA LEU 15 HA LEU 15 -0.522 3.306 -1.243 123 1HB LEU 15 1HB LEU 15 -2.204 4.972 -1.193 124 2HB LEU 15 2HB LEU 15 -1.654 5.629 0.325 125 HG LEU 15 HG LEU 15 0.331 6.624 -0.776 126 1HD1 LEU 15 1HD1 LEU 15 0.391 6.893 -3.166 127 2HD1 LEU 15 2HD1 LEU 15 0.407 5.153 -2.833 128 3HD1 LEU 15 3HD1 LEU 15 -1.090 5.927 -3.377 129 1HD2 LEU 15 1HD2 LEU 15 -0.910 8.444 -1.838 130 2HD2 LEU 15 2HD2 LEU 15 -2.361 7.429 -1.941 131 3HD2 LEU 15 3HD2 LEU 15 -1.725 7.916 -0.357 132 H SER 16 H SER 16 1.545 3.986 -1.748 133 HA SER 16 HA SER 16 3.301 5.233 0.291 134 1HB SER 16 1HB SER 16 4.115 3.016 0.371 135 2HB SER 16 2HB SER 16 4.051 2.844 -1.389 136 HG SER 16 HG SER 16 6.141 3.316 -0.878 137 HA PRO 17 HA PRO 17 3.068 8.052 -3.224 138 1HB PRO 17 1HB PRO 17 5.429 9.259 -1.764 139 2HB PRO 17 2HB PRO 17 4.027 10.090 -2.514 140 1HG PRO 17 1HG PRO 17 4.081 9.689 0.158 141 2HG PRO 17 2HG PRO 17 2.573 9.362 -0.759 142 1HD PRO 17 1HD PRO 17 4.640 7.383 0.222 143 2HD PRO 17 2HD PRO 17 2.853 7.288 0.261 144 H LYS 18 H LYS 18 5.741 6.006 -2.620 145 HA LYS 18 HA LYS 18 7.562 6.984 -4.708 146 1HB LYS 18 1HB LYS 18 7.450 4.505 -2.946 147 2HB LYS 18 2HB LYS 18 8.579 4.652 -4.287 148 1HG LYS 18 1HG LYS 18 9.942 5.474 -2.677 149 2HG LYS 18 2HG LYS 18 9.209 6.965 -3.190 150 1HD LYS 18 1HD LYS 18 9.236 7.081 -0.838 151 2HD LYS 18 2HD LYS 18 7.559 6.727 -1.229 152 1HE LYS 18 1HE LYS 18 8.343 5.495 0.726 153 2HE LYS 18 2HE LYS 18 7.872 4.393 -0.571 154 1HZ LYS 18 1HZ LYS 18 10.705 5.161 -0.146 155 2HZ LYS 18 2HZ LYS 18 10.012 3.812 0.513 156 3HZ LYS 18 3HZ LYS 18 10.048 3.937 -1.074 157 H SER 19 H SER 19 5.229 4.259 -4.479 158 HA SER 19 HA SER 19 5.436 3.810 -7.414 159 1HB SER 19 1HB SER 19 4.167 2.244 -5.150 160 2HB SER 19 2HB SER 19 4.060 1.795 -6.868 161 HG SER 19 HG SER 19 6.444 2.137 -5.346 162 H ARG 20 H ARG 20 3.383 5.242 -5.017 163 HA ARG 20 HA ARG 20 1.508 6.436 -5.019 164 1HB ARG 20 1HB ARG 20 2.668 7.685 -6.743 165 2HB ARG 20 2HB ARG 20 1.990 6.661 -8.003 166 1HG ARG 20 1HG ARG 20 0.923 8.865 -7.891 167 2HG ARG 20 2HG ARG 20 -0.222 7.554 -7.666 168 1HD ARG 20 1HD ARG 20 -0.052 7.978 -5.140 169 2HD ARG 20 2HD ARG 20 0.957 9.372 -5.515 170 HE ARG 20 HE ARG 20 -0.949 10.545 -6.173 171 1HH1 ARG 20 2HH2 ARG 20 -1.886 7.155 -6.005 172 2HH1 ARG 20 1HH2 ARG 20 -3.584 7.557 -6.095 173 1HH2 ARG 20 2HH1 ARG 20 -3.109 10.950 -6.326 174 2HH2 ARG 20 1HH1 ARG 20 -4.249 9.633 -6.295 175 H THR 21 H THR 21 1.366 3.390 -6.299 176 HA THR 21 HA THR 21 -1.408 3.172 -7.034 177 HB THR 21 HB THR 21 -0.884 0.760 -6.912 178 HG1 THR 21 1HG THR 21 0.557 0.866 -5.105 179 1HG2 THR 21 1HG2 THR 21 0.721 0.660 -8.637 180 2HG2 THR 21 2HG2 THR 21 -0.039 2.246 -8.861 181 3HG2 THR 21 3HG2 THR 21 1.563 2.119 -8.076 182 H ILE 22 H ILE 22 -2.889 1.548 -5.812 183 HA ILE 22 HA ILE 22 -2.733 2.009 -2.860 184 HB ILE 22 HB ILE 22 -5.253 1.596 -4.449 185 1HG1 ILE 22 1HG1 ILE 22 -4.462 3.744 -5.193 186 2HG1 ILE 22 2HG1 ILE 22 -5.858 3.923 -4.151 187 1HG2 ILE 22 1HG2 ILE 22 -6.346 2.370 -2.353 188 2HG2 ILE 22 2HG2 ILE 22 -5.414 0.888 -2.126 189 3HG2 ILE 22 3HG2 ILE 22 -4.753 2.433 -1.564 190 1HD1 ILE 22 1HD1 ILE 22 -4.418 4.645 -2.280 191 2HD1 ILE 22 2HD1 ILE 22 -2.981 4.428 -3.310 192 3HD1 ILE 22 3HD1 ILE 22 -4.188 5.660 -3.710 193 H PHE 23 H PHE 23 -2.237 0.235 -1.870 194 HA PHE 23 HA PHE 23 -3.121 -2.431 -2.878 195 1HB PHE 23 1HB PHE 23 -0.972 -3.095 -1.383 196 2HB PHE 23 2HB PHE 23 -0.992 -2.918 -3.135 197 HD1 PHE 23 1HD PHE 23 0.683 -1.716 -4.101 198 HD2 PHE 23 2HD PHE 23 -0.400 -0.989 -0.100 199 HE1 PHE 23 1HE PHE 23 2.378 0.099 -4.062 200 HE2 PHE 23 2HE PHE 23 1.187 1.047 -0.031 201 HZ PHE 23 HZ PHE 23 2.573 1.529 -2.030 202 H GLU 24 H GLU 24 -2.989 -4.098 -1.067 203 HA GLU 24 HA GLU 24 -4.782 -3.151 1.029 204 1HB GLU 24 1HB GLU 24 -4.566 -5.535 -0.236 205 2HB GLU 24 2HB GLU 24 -3.589 -5.883 1.192 206 1HG GLU 24 1HG GLU 24 -6.243 -4.594 1.685 207 2HG GLU 24 2HG GLU 24 -6.293 -6.205 0.990 208 H LYS 25 H LYS 25 -4.135 -2.764 3.235 209 HA LYS 25 HA LYS 25 -1.557 -2.028 3.997 210 1HB LYS 25 1HB LYS 25 -3.656 -1.474 5.202 211 2HB LYS 25 2HB LYS 25 -3.801 -3.156 5.728 212 1HG LYS 25 1HG LYS 25 -1.750 -3.022 7.013 213 2HG LYS 25 2HG LYS 25 -1.367 -1.427 6.347 214 1HD LYS 25 1HD LYS 25 -3.326 -0.447 7.460 215 2HD LYS 25 2HD LYS 25 -3.791 -2.047 8.090 216 1HE LYS 25 1HE LYS 25 -1.720 -2.201 9.382 217 2HE LYS 25 2HE LYS 25 -1.118 -0.698 8.661 218 1HZ LYS 25 1HZ LYS 25 -3.516 -0.874 10.405 219 2HZ LYS 25 2HZ LYS 25 -2.058 -0.290 10.860 220 3HZ LYS 25 3HZ LYS 25 -2.922 0.497 9.715 221 H SER 26 H SER 26 -3.282 -5.111 4.347 222 HA SER 26 HA SER 26 -1.254 -6.406 5.818 223 1HB SER 26 1HB SER 26 -3.633 -7.149 5.657 224 2HB SER 26 2HB SER 26 -3.292 -7.764 4.025 225 HG SER 26 HG SER 26 -3.100 -9.390 5.661 226 H LEU 27 H LEU 27 -1.794 -6.346 2.251 227 HA LEU 27 HA LEU 27 0.244 -8.298 1.673 228 1HB LEU 27 1HB LEU 27 -1.050 -6.223 -0.142 229 2HB LEU 27 2HB LEU 27 -0.073 -7.590 -0.605 230 HG LEU 27 HG LEU 27 -2.939 -7.460 -0.078 231 1HD1 LEU 27 1HD1 LEU 27 -2.972 -9.322 -1.598 232 2HD1 LEU 27 2HD1 LEU 27 -1.840 -8.093 -2.195 233 3HD1 LEU 27 3HD1 LEU 27 -1.218 -9.552 -1.393 234 1HD2 LEU 27 1HD2 LEU 27 -3.159 -9.831 0.668 235 2HD2 LEU 27 2HD2 LEU 27 -1.434 -9.836 1.078 236 3HD2 LEU 27 3HD2 LEU 27 -2.573 -8.760 1.935 237 H LEU 28 H LEU 28 0.183 -4.725 1.761 238 HA LEU 28 HA LEU 28 2.896 -4.402 0.777 239 1HB LEU 28 1HB LEU 28 1.297 -2.496 0.867 240 2HB LEU 28 2HB LEU 28 1.376 -2.539 2.629 241 HG LEU 28 HG LEU 28 3.962 -2.223 2.365 242 1HD1 LEU 28 1HD1 LEU 28 3.089 -1.425 -0.437 243 2HD1 LEU 28 2HD1 LEU 28 4.672 -1.094 0.287 244 3HD1 LEU 28 3HD1 LEU 28 4.187 -2.759 -0.011 245 1HD2 LEU 28 1HD2 LEU 28 2.583 -0.490 3.223 246 2HD2 LEU 28 2HD2 LEU 28 3.749 0.206 2.089 247 3HD2 LEU 28 3HD2 LEU 28 2.053 -0.027 1.605 248 H GLU 29 H GLU 29 1.416 -4.728 4.045 249 HA GLU 29 HA GLU 29 3.754 -4.402 5.613 250 1HB GLU 29 1HB GLU 29 1.491 -4.411 6.523 251 2HB GLU 29 2HB GLU 29 1.348 -6.150 6.210 252 1HG GLU 29 1HG GLU 29 3.193 -6.593 7.782 253 2HG GLU 29 2HG GLU 29 3.435 -4.859 8.017 254 H GLN 30 H GLN 30 2.521 -7.298 3.968 255 HA GLN 30 HA GLN 30 4.529 -9.110 4.993 256 1HB GLN 30 1HB GLN 30 2.254 -9.551 3.701 257 2HB GLN 30 2HB GLN 30 3.251 -9.435 2.265 258 1HG GLN 30 1HG GLN 30 3.158 -11.750 2.818 259 2HG GLN 30 2HG GLN 30 4.774 -11.223 3.274 260 1HE2 GLN 30 1HE2 GLN 30 1.464 -11.815 4.668 261 2HE2 GLN 30 2HE2 GLN 30 2.097 -12.286 6.237 262 H TYR 31 H TYR 31 4.407 -7.034 2.089 263 HA TYR 31 HA TYR 31 6.812 -8.122 0.881 264 1HB TYR 31 1HB TYR 31 4.885 -7.125 -0.350 265 2HB TYR 31 2HB TYR 31 5.302 -5.546 0.308 266 HD1 TYR 31 1HD TYR 31 6.520 -4.148 -1.139 267 HD2 TYR 31 2HD TYR 31 7.006 -8.407 -1.445 268 HE1 TYR 31 1HE TYR 31 8.109 -3.848 -3.043 269 HE2 TYR 31 2HE TYR 31 8.469 -8.080 -3.470 270 HH TYR 31 HH TYR 31 9.523 -6.588 -4.817 271 H VAL 32 H VAL 32 6.048 -5.317 2.837 272 HA VAL 32 HA VAL 32 8.707 -4.272 2.667 273 HB VAL 32 HB VAL 32 6.486 -3.031 2.948 274 1HG1 VAL 32 1HG1 VAL 32 5.799 -4.287 5.008 275 2HG1 VAL 32 2HG1 VAL 32 6.982 -3.362 5.937 276 3HG1 VAL 32 3HG1 VAL 32 5.628 -2.532 5.133 277 1HG2 VAL 32 1HG2 VAL 32 8.491 -1.686 3.034 278 2HG2 VAL 32 2HG2 VAL 32 7.411 -1.144 4.314 279 3HG2 VAL 32 3HG2 VAL 32 8.807 -2.144 4.731 280 H LYS 33 H LYS 33 7.232 -6.493 4.700 281 HA LYS 33 HA LYS 33 9.264 -6.651 6.855 282 1HB LYS 33 1HB LYS 33 7.022 -7.338 7.371 283 2HB LYS 33 2HB LYS 33 6.918 -8.303 5.902 284 1HG LYS 33 1HG LYS 33 8.544 -9.934 6.853 285 2HG LYS 33 2HG LYS 33 8.495 -9.031 8.388 286 1HD LYS 33 1HD LYS 33 6.107 -9.460 8.612 287 2HD LYS 33 2HD LYS 33 6.011 -10.050 6.944 288 1HE LYS 33 1HE LYS 33 7.600 -11.916 7.586 289 2HE LYS 33 2HE LYS 33 7.399 -11.426 9.273 290 1HZ LYS 33 1HZ LYS 33 5.829 -13.194 8.596 291 2HZ LYS 33 2HZ LYS 33 5.006 -11.849 9.027 292 3HZ LYS 33 3HZ LYS 33 5.188 -12.222 7.440 293 H ASP 34 H ASP 34 8.701 -7.967 3.689 294 HA ASP 34 HA ASP 34 10.577 -10.189 3.793 295 1HB ASP 34 1HB ASP 34 8.624 -9.079 1.943 296 2HB ASP 34 2HB ASP 34 10.103 -9.317 1.080 297 H THR 35 H THR 35 10.611 -7.065 2.099 298 HA THR 35 HA THR 35 13.628 -7.019 2.094 299 HB THR 35 HB THR 35 13.565 -6.067 -0.165 300 HG1 THR 35 1HG THR 35 10.856 -6.873 -0.252 301 1HG2 THR 35 1HG2 THR 35 12.145 -8.760 -0.121 302 2HG2 THR 35 2HG2 THR 35 13.066 -8.052 -1.465 303 3HG2 THR 35 3HG2 THR 35 13.901 -8.509 0.031 304 H GLY 36 H GLY 36 10.598 -5.321 2.436 305 1HA GLY 36 1HA GLY 36 10.274 -3.223 3.357 306 2HA GLY 36 2HA GLY 36 11.962 -2.809 3.159 307 H ASN 37 H ASN 37 11.281 -4.085 0.204 308 HA ASN 37 HA ASN 37 11.471 -1.521 -1.029 309 1HB ASN 37 1HB ASN 37 10.801 -4.294 -2.096 310 2HB ASN 37 2HB ASN 37 11.091 -2.915 -3.129 311 1HD2 ASN 37 1HD2 ASN 37 12.621 -5.289 -3.246 312 2HD2 ASN 37 2HD2 ASN 37 14.264 -4.839 -2.807 313 H ASP 38 H ASP 38 10.101 -0.326 -2.291 314 HA ASP 38 HA ASP 38 7.231 -0.503 -1.969 315 1HB ASP 38 1HB ASP 38 8.946 1.051 -3.932 316 2HB ASP 38 2HB ASP 38 7.193 1.189 -3.802 317 HA PRO 39 HA PRO 39 6.532 -3.872 -4.725 318 1HB PRO 39 1HB PRO 39 4.053 -2.399 -5.609 319 2HB PRO 39 2HB PRO 39 4.228 -4.119 -5.138 320 1HG PRO 39 1HG PRO 39 3.247 -2.367 -3.358 321 2HG PRO 39 2HG PRO 39 4.517 -3.518 -2.824 322 1HD PRO 39 1HD PRO 39 4.827 -0.611 -3.567 323 2HD PRO 39 2HD PRO 39 5.513 -1.534 -2.195 324 H ILE 40 H ILE 40 6.784 -0.762 -6.327 325 HA ILE 40 HA ILE 40 6.987 -2.124 -9.009 326 HB ILE 40 HB ILE 40 5.551 0.435 -8.303 327 1HG1 ILE 40 1HG1 ILE 40 4.513 -1.863 -10.001 328 2HG1 ILE 40 2HG1 ILE 40 4.443 -1.969 -8.244 329 1HG2 ILE 40 1HG2 ILE 40 6.826 0.971 -10.310 330 2HG2 ILE 40 2HG2 ILE 40 6.346 -0.565 -11.071 331 3HG2 ILE 40 3HG2 ILE 40 5.154 0.718 -10.772 332 1HD1 ILE 40 1HD1 ILE 40 2.340 -1.115 -9.177 333 2HD1 ILE 40 2HD1 ILE 40 3.122 0.022 -8.054 334 3HD1 ILE 40 3HD1 ILE 40 3.184 0.308 -9.808 335 H THR 41 H THR 41 8.032 0.733 -7.068 336 HA THR 41 HA THR 41 10.164 1.316 -9.013 337 HB THR 41 HB THR 41 10.837 3.034 -7.250 338 HG1 THR 41 1HG THR 41 8.184 2.512 -6.523 339 1HG2 THR 41 1HG2 THR 41 9.670 3.615 -9.345 340 2HG2 THR 41 2HG2 THR 41 8.103 3.233 -8.594 341 3HG2 THR 41 3HG2 THR 41 9.088 4.589 -7.987 342 H ASN 42 H ASN 42 9.746 -0.793 -6.341 343 HA ASN 42 HA ASN 42 10.932 -1.688 -4.785 344 1HB ASN 42 1HB ASN 42 12.578 -3.157 -5.504 345 2HB ASN 42 2HB ASN 42 11.363 -3.056 -6.753 346 1HD2 ASN 42 1HD2 ASN 42 14.551 -1.609 -5.920 347 2HD2 ASN 42 2HD2 ASN 42 15.129 -1.606 -7.596 348 H GLU 43 H GLU 43 11.174 1.052 -4.703 349 HA GLU 43 HA GLU 43 13.943 1.677 -3.858 350 1HB GLU 43 1HB GLU 43 11.371 3.190 -3.304 351 2HB GLU 43 2HB GLU 43 12.976 3.704 -2.808 352 1HG GLU 43 1HG GLU 43 13.171 3.126 -5.600 353 2HG GLU 43 2HG GLU 43 11.642 3.966 -5.384 354 HA PRO 44 HA PRO 44 13.596 -0.625 -0.139 355 1HB PRO 44 1HB PRO 44 15.711 0.288 1.353 356 2HB PRO 44 2HB PRO 44 15.892 -0.692 -0.134 357 1HG PRO 44 1HG PRO 44 16.064 2.326 0.139 358 2HG PRO 44 2HG PRO 44 17.198 1.220 -0.705 359 1HD PRO 44 1HD PRO 44 15.255 2.576 -2.050 360 2HD PRO 44 2HD PRO 44 15.698 0.903 -2.501 361 H LEU 45 H LEU 45 12.300 -0.564 1.530 362 HA LEU 45 HA LEU 45 11.130 -0.039 3.347 363 1HB LEU 45 1HB LEU 45 12.699 2.541 3.617 364 2HB LEU 45 2HB LEU 45 11.372 2.041 4.639 365 HG LEU 45 HG LEU 45 12.676 -0.112 5.138 366 1HD1 LEU 45 1HD1 LEU 45 14.944 1.546 3.950 367 2HD1 LEU 45 2HD1 LEU 45 15.180 0.157 5.038 368 3HD1 LEU 45 3HD1 LEU 45 14.439 -0.093 3.469 369 1HD2 LEU 45 1HD2 LEU 45 12.405 1.682 6.754 370 2HD2 LEU 45 2HD2 LEU 45 14.030 1.020 6.870 371 3HD2 LEU 45 3HD2 LEU 45 13.771 2.578 6.043 372 H SER 46 H SER 46 9.186 1.051 3.815 373 HA SER 46 HA SER 46 7.885 2.551 1.641 374 1HB SER 46 1HB SER 46 7.893 0.003 1.155 375 2HB SER 46 2HB SER 46 6.674 -0.088 2.423 376 HG SER 46 HG SER 46 6.585 1.424 0.012 377 H ILE 47 H ILE 47 7.257 0.571 4.478 378 HA ILE 47 HA ILE 47 5.172 1.930 5.632 379 HB ILE 47 HB ILE 47 6.135 -0.339 6.226 380 1HG1 ILE 47 1HG1 ILE 47 5.697 -0.253 8.710 381 2HG1 ILE 47 2HG1 ILE 47 5.459 1.488 8.557 382 1HG2 ILE 47 1HG2 ILE 47 8.074 1.183 8.011 383 2HG2 ILE 47 2HG2 ILE 47 7.907 -0.570 7.850 384 3HG2 ILE 47 3HG2 ILE 47 8.513 0.376 6.488 385 1HD1 ILE 47 1HD1 ILE 47 3.903 -0.689 7.076 386 2HD1 ILE 47 2HD1 ILE 47 3.316 0.251 8.468 387 3HD1 ILE 47 3HD1 ILE 47 3.625 1.055 6.917 388 H GLU 48 H GLU 48 8.451 2.935 5.784 389 HA GLU 48 HA GLU 48 8.145 4.967 7.840 390 1HB GLU 48 1HB GLU 48 10.206 4.558 5.633 391 2HB GLU 48 2HB GLU 48 10.308 5.839 6.839 392 1HG GLU 48 1HG GLU 48 10.306 2.856 7.465 393 2HG GLU 48 2HG GLU 48 11.725 3.892 7.376 394 H GLU 49 H GLU 49 6.856 4.661 4.776 395 HA GLU 49 HA GLU 49 6.358 7.595 4.544 396 1HB GLU 49 1HB GLU 49 8.185 6.459 2.936 397 2HB GLU 49 2HB GLU 49 6.760 5.882 2.087 398 1HG GLU 49 1HG GLU 49 7.501 7.894 1.019 399 2HG GLU 49 2HG GLU 49 6.014 8.303 1.854 400 H ILE 50 H ILE 50 4.918 4.891 5.269 401 HA ILE 50 HA ILE 50 2.853 4.520 3.415 402 HB ILE 50 HB ILE 50 3.471 2.944 5.189 403 1HG1 ILE 50 1HG1 ILE 50 0.479 3.495 5.198 404 2HG1 ILE 50 2HG1 ILE 50 1.353 2.858 3.802 405 1HG2 ILE 50 1HG2 ILE 50 3.387 4.659 7.117 406 2HG2 ILE 50 2HG2 ILE 50 1.630 4.507 7.064 407 3HG2 ILE 50 3HG2 ILE 50 2.633 3.100 7.455 408 1HD1 ILE 50 1HD1 ILE 50 1.248 1.500 6.527 409 2HD1 ILE 50 2HD1 ILE 50 0.297 1.055 5.114 410 3HD1 ILE 50 3HD1 ILE 50 2.060 0.892 5.057 411 H VAL 51 H VAL 51 1.050 5.265 3.007 412 HA VAL 51 HA VAL 51 -0.396 7.301 4.687 413 HB VAL 51 HB VAL 51 -0.460 7.135 1.650 414 1HG1 VAL 51 1HG1 VAL 51 -1.740 9.253 1.837 415 2HG1 VAL 51 2HG1 VAL 51 -2.596 7.931 2.640 416 3HG1 VAL 51 3HG1 VAL 51 -1.705 9.124 3.607 417 1HG2 VAL 51 1HG2 VAL 51 1.679 8.083 2.380 418 2HG2 VAL 51 2HG2 VAL 51 0.648 9.344 1.703 419 3HG2 VAL 51 3HG2 VAL 51 0.836 9.206 3.468 420 H GLU 52 H GLU 52 -1.725 5.925 5.802 421 HA GLU 52 HA GLU 52 -3.209 3.784 4.430 422 1HB GLU 52 1HB GLU 52 -3.827 4.823 7.200 423 2HB GLU 52 2HB GLU 52 -4.166 3.234 6.487 424 1HG GLU 52 1HG GLU 52 -1.818 2.617 6.597 425 2HG GLU 52 2HG GLU 52 -1.363 4.233 7.141 426 H ILE 53 H ILE 53 -5.114 4.010 3.392 427 HA ILE 53 HA ILE 53 -6.234 6.706 3.107 428 HB ILE 53 HB ILE 53 -7.046 4.123 1.751 429 1HG1 ILE 53 1HG1 ILE 53 -4.718 4.500 1.195 430 2HG1 ILE 53 2HG1 ILE 53 -5.739 4.814 -0.187 431 1HG2 ILE 53 1HG2 ILE 53 -7.643 7.032 1.077 432 2HG2 ILE 53 2HG2 ILE 53 -7.977 5.658 0.007 433 3HG2 ILE 53 3HG2 ILE 53 -8.802 5.780 1.558 434 1HD1 ILE 53 1HD1 ILE 53 -3.945 6.466 -0.030 435 2HD1 ILE 53 2HD1 ILE 53 -5.500 7.270 0.182 436 3HD1 ILE 53 3HD1 ILE 53 -4.469 6.939 1.593 437 H VAL 54 H VAL 54 -7.177 7.116 5.062 438 HA VAL 54 HA VAL 54 -9.123 5.541 6.430 439 HB VAL 54 HB VAL 54 -8.740 8.555 6.430 440 1HG1 VAL 54 1HG1 VAL 54 -9.898 8.459 8.642 441 2HG1 VAL 54 2HG1 VAL 54 -10.972 8.038 7.310 442 3HG1 VAL 54 3HG1 VAL 54 -10.300 6.752 8.344 443 1HG2 VAL 54 1HG2 VAL 54 -7.755 6.377 8.334 444 2HG2 VAL 54 2HG2 VAL 54 -6.748 7.323 7.213 445 3HG2 VAL 54 3HG2 VAL 54 -7.553 8.127 8.562 446 HA PRO 55 HA PRO 55 -12.235 6.080 3.212 447 1HB PRO 55 1HB PRO 55 -14.181 4.398 4.101 448 2HB PRO 55 2HB PRO 55 -12.603 3.812 3.488 449 1HG PRO 55 1HG PRO 55 -13.413 4.276 6.381 450 2HG PRO 55 2HG PRO 55 -12.672 2.808 5.665 451 1HD PRO 55 1HD PRO 55 -11.178 4.710 6.917 452 2HD PRO 55 2HD PRO 55 -10.568 3.850 5.470 453 H SER 56 H SER 56 -12.747 6.969 6.514 454 HA SER 56 HA SER 56 -14.279 8.228 7.665 455 1HB SER 56 1HB SER 56 -13.010 9.923 6.405 456 2HB SER 56 2HB SER 56 -14.207 9.857 5.099 457 HG SER 56 HG SER 56 -14.602 11.558 6.629 Start of MODEL 4 1 H MET 1 H MET 1 -9.036 1.644 -7.549 2 HA MET 1 HA MET 1 -7.329 0.386 -9.548 3 1HB MET 1 1HB MET 1 -6.128 2.486 -9.106 4 2HB MET 1 2HB MET 1 -6.109 2.144 -7.374 5 1HG MET 1 1HG MET 1 -4.704 0.181 -7.731 6 2HG MET 1 2HG MET 1 -4.792 0.383 -9.481 7 1HE MET 1 1HE MET 1 -2.480 3.419 -10.183 8 2HE MET 1 2HE MET 1 -3.406 2.067 -10.868 9 3HE MET 1 3HE MET 1 -4.253 3.425 -10.090 10 H LEU 2 H LEU 2 -6.439 -1.538 -8.845 11 HA LEU 2 HA LEU 2 -6.931 -2.441 -6.040 12 1HB LEU 2 1HB LEU 2 -6.987 -4.154 -8.563 13 2HB LEU 2 2HB LEU 2 -7.162 -4.754 -6.917 14 HG LEU 2 HG LEU 2 -9.134 -2.895 -8.319 15 1HD1 LEU 2 1HD1 LEU 2 -9.328 -5.850 -7.612 16 2HD1 LEU 2 2HD1 LEU 2 -10.605 -4.858 -8.356 17 3HD1 LEU 2 3HD1 LEU 2 -9.110 -5.185 -9.245 18 1HD2 LEU 2 1HD2 LEU 2 -10.632 -3.420 -6.418 19 2HD2 LEU 2 2HD2 LEU 2 -9.318 -4.319 -5.627 20 3HD2 LEU 2 3HD2 LEU 2 -9.194 -2.561 -5.868 21 H CYS 3 H CYS 3 -5.510 -4.163 -5.243 22 HA CYS 3 HA CYS 3 -3.230 -2.920 -4.893 23 1HB CYS 3 1HB CYS 3 -3.350 -5.903 -4.448 24 2HB CYS 3 2HB CYS 3 -2.657 -4.668 -3.463 25 HG CYS 3 HG CYS 3 -4.891 -6.195 -2.825 26 H ALA 4 H ALA 4 -1.340 -2.605 -5.596 27 HA ALA 4 HA ALA 4 -0.557 -3.698 -8.198 28 1HB ALA 4 1HB ALA 4 0.045 -1.390 -7.395 29 2HB ALA 4 2HB ALA 4 1.290 -2.148 -6.368 30 3HB ALA 4 3HB ALA 4 1.358 -2.343 -8.114 31 H ILE 5 H ILE 5 -0.241 -4.876 -5.079 32 HA ILE 5 HA ILE 5 2.069 -6.651 -5.549 33 HB ILE 5 HB ILE 5 0.316 -6.127 -3.121 34 1HG1 ILE 5 1HG1 ILE 5 3.260 -5.485 -3.546 35 2HG1 ILE 5 2HG1 ILE 5 1.972 -4.331 -3.889 36 1HG2 ILE 5 1HG2 ILE 5 1.114 -8.478 -3.058 37 2HG2 ILE 5 2HG2 ILE 5 2.750 -7.971 -3.519 38 3HG2 ILE 5 3HG2 ILE 5 2.099 -7.546 -1.935 39 1HD1 ILE 5 1HD1 ILE 5 1.167 -4.533 -1.529 40 2HD1 ILE 5 2HD1 ILE 5 2.611 -5.526 -1.187 41 3HD1 ILE 5 3HD1 ILE 5 2.782 -3.848 -1.691 42 H SER 6 H SER 6 -1.387 -7.163 -4.582 43 HA SER 6 HA SER 6 -1.302 -9.773 -6.044 44 1HB SER 6 1HB SER 6 -2.774 -9.371 -3.452 45 2HB SER 6 2HB SER 6 -2.631 -10.858 -4.383 46 HG SER 6 HG SER 6 -0.386 -10.849 -4.005 47 H GLY 7 H GLY 7 -3.098 -6.841 -5.930 48 1HA GLY 7 1HA GLY 7 -4.762 -6.225 -7.369 49 2HA GLY 7 2HA GLY 7 -4.655 -7.850 -8.047 50 H LYS 8 H LYS 8 -5.176 -7.752 -4.819 51 HA LYS 8 HA LYS 8 -7.790 -9.059 -4.783 52 1HB LYS 8 1HB LYS 8 -5.911 -9.697 -3.396 53 2HB LYS 8 2HB LYS 8 -5.726 -8.065 -2.763 54 1HG LYS 8 1HG LYS 8 -7.805 -8.315 -1.463 55 2HG LYS 8 2HG LYS 8 -8.144 -9.876 -2.253 56 1HD LYS 8 1HD LYS 8 -6.045 -10.794 -1.287 57 2HD LYS 8 2HD LYS 8 -5.744 -9.236 -0.485 58 1HE LYS 8 1HE LYS 8 -7.851 -9.456 0.788 59 2HE LYS 8 2HE LYS 8 -8.215 -10.974 -0.044 60 1HZ LYS 8 1HZ LYS 8 -7.218 -11.386 2.129 61 2HZ LYS 8 2HZ LYS 8 -6.214 -11.934 0.965 62 3HZ LYS 8 3HZ LYS 8 -5.877 -10.535 1.746 63 H VAL 9 H VAL 9 -9.571 -8.276 -3.388 64 HA VAL 9 HA VAL 9 -10.163 -5.410 -3.680 65 HB VAL 9 HB VAL 9 -11.949 -6.925 -4.029 66 1HG1 VAL 9 1HG1 VAL 9 -13.038 -8.270 -2.372 67 2HG1 VAL 9 2HG1 VAL 9 -11.359 -8.805 -2.505 68 3HG1 VAL 9 3HG1 VAL 9 -11.876 -7.808 -1.124 69 1HG2 VAL 9 1HG2 VAL 9 -12.415 -5.349 -1.465 70 2HG2 VAL 9 2HG2 VAL 9 -12.419 -4.682 -3.113 71 3HG2 VAL 9 3HG2 VAL 9 -13.642 -5.869 -2.638 72 HA PRO 10 HA PRO 10 -7.708 -4.986 0.015 73 1HB PRO 10 1HB PRO 10 -7.512 -2.283 0.253 74 2HB PRO 10 2HB PRO 10 -6.693 -3.199 -1.036 75 1HG PRO 10 1HG PRO 10 -9.343 -1.734 -1.216 76 2HG PRO 10 2HG PRO 10 -7.947 -1.644 -2.337 77 1HD PRO 10 1HD PRO 10 -10.077 -3.275 -2.829 78 2HD PRO 10 2HD PRO 10 -8.406 -3.761 -3.243 79 H ARG 11 H ARG 11 -8.194 -5.205 2.035 80 HA ARG 11 HA ARG 11 -10.796 -4.338 3.206 81 1HB ARG 11 1HB ARG 11 -10.078 -5.630 5.206 82 2HB ARG 11 2HB ARG 11 -10.234 -6.601 3.742 83 1HG ARG 11 1HG ARG 11 -7.816 -6.629 3.435 84 2HG ARG 11 2HG ARG 11 -7.587 -5.565 4.844 85 1HD ARG 11 1HD ARG 11 -8.434 -7.293 6.328 86 2HD ARG 11 2HD ARG 11 -8.836 -8.330 4.936 87 HE ARG 11 HE ARG 11 -6.045 -7.564 4.911 88 1HH1 ARG 11 2HH2 ARG 11 -8.166 -9.815 6.564 89 2HH1 ARG 11 1HH2 ARG 11 -6.891 -10.990 6.772 90 1HH2 ARG 11 2HH1 ARG 11 -4.522 -9.127 5.118 91 2HH2 ARG 11 1HH1 ARG 11 -4.875 -10.602 5.994 92 H ARG 12 H ARG 12 -7.314 -3.673 3.456 93 HA ARG 12 HA ARG 12 -8.023 -1.018 4.702 94 1HB ARG 12 1HB ARG 12 -5.704 -2.851 5.382 95 2HB ARG 12 2HB ARG 12 -5.813 -1.150 5.872 96 1HG ARG 12 1HG ARG 12 -7.912 -1.658 7.109 97 2HG ARG 12 2HG ARG 12 -7.770 -3.365 6.643 98 1HD ARG 12 1HD ARG 12 -5.572 -3.486 7.783 99 2HD ARG 12 2HD ARG 12 -5.745 -1.811 8.307 100 HE ARG 12 HE ARG 12 -7.125 -4.186 9.367 101 1HH1 ARG 12 2HH2 ARG 12 -7.206 -0.675 9.383 102 2HH1 ARG 12 1HH2 ARG 12 -8.160 -0.638 10.842 103 1HH2 ARG 12 2HH1 ARG 12 -8.325 -4.049 11.197 104 2HH2 ARG 12 1HH1 ARG 12 -8.759 -2.489 11.840 105 HA PRO 13 HA PRO 13 -6.002 -0.413 0.593 106 1HB PRO 13 1HB PRO 13 -7.236 2.079 0.137 107 2HB PRO 13 2HB PRO 13 -7.769 0.488 -0.470 108 1HG PRO 13 1HG PRO 13 -8.697 1.949 2.011 109 2HG PRO 13 2HG PRO 13 -9.684 1.075 0.797 110 1HD PRO 13 1HD PRO 13 -9.112 -0.163 3.086 111 2HD PRO 13 2HD PRO 13 -8.830 -1.033 1.528 112 H VAL 14 H VAL 14 -4.229 0.442 0.342 113 HA VAL 14 HA VAL 14 -3.094 2.625 2.070 114 HB VAL 14 HB VAL 14 -2.494 -0.312 2.045 115 1HG1 VAL 14 1HG1 VAL 14 -0.232 -0.131 2.770 116 2HG1 VAL 14 2HG1 VAL 14 -0.356 0.519 1.146 117 3HG1 VAL 14 3HG1 VAL 14 -0.229 1.642 2.496 118 1HG2 VAL 14 1HG2 VAL 14 -1.914 0.186 4.399 119 2HG2 VAL 14 2HG2 VAL 14 -2.091 1.902 4.086 120 3HG2 VAL 14 3HG2 VAL 14 -3.512 0.834 3.995 121 H LEU 15 H LEU 15 -1.379 3.718 1.224 122 HA LEU 15 HA LEU 15 -0.474 3.071 -1.560 123 1HB LEU 15 1HB LEU 15 -2.218 4.710 -1.688 124 2HB LEU 15 2HB LEU 15 -1.586 5.673 -0.380 125 HG LEU 15 HG LEU 15 0.117 5.366 -2.857 126 1HD1 LEU 15 1HD1 LEU 15 -2.309 7.192 -2.589 127 2HD1 LEU 15 2HD1 LEU 15 -1.062 7.340 -3.845 128 3HD1 LEU 15 3HD1 LEU 15 -2.071 5.891 -3.780 129 1HD2 LEU 15 1HD2 LEU 15 0.808 7.637 -2.330 130 2HD2 LEU 15 2HD2 LEU 15 -0.457 7.793 -1.097 131 3HD2 LEU 15 3HD2 LEU 15 0.908 6.710 -0.830 132 H SER 16 H SER 16 1.637 3.866 -2.022 133 HA SER 16 HA SER 16 3.235 5.074 0.196 134 1HB SER 16 1HB SER 16 4.121 2.856 -1.646 135 2HB SER 16 2HB SER 16 5.233 3.886 -0.727 136 HG SER 16 HG SER 16 4.769 2.050 0.454 137 HA PRO 17 HA PRO 17 3.181 8.227 -2.986 138 1HB PRO 17 1HB PRO 17 5.504 9.315 -1.389 139 2HB PRO 17 2HB PRO 17 4.092 10.190 -2.061 140 1HG PRO 17 1HG PRO 17 4.128 9.522 0.552 141 2HG PRO 17 2HG PRO 17 2.637 9.245 -0.412 142 1HD PRO 17 1HD PRO 17 4.772 7.243 0.360 143 2HD PRO 17 2HD PRO 17 2.989 7.096 0.429 144 H LYS 18 H LYS 18 5.744 6.072 -2.705 145 HA LYS 18 HA LYS 18 7.644 7.283 -4.619 146 1HB LYS 18 1HB LYS 18 7.450 4.603 -3.163 147 2HB LYS 18 2HB LYS 18 8.603 4.914 -4.442 148 1HG LYS 18 1HG LYS 18 9.874 5.441 -2.563 149 2HG LYS 18 2HG LYS 18 9.328 7.009 -3.095 150 1HD LYS 18 1HD LYS 18 9.161 6.952 -0.709 151 2HD LYS 18 2HD LYS 18 7.520 6.943 -1.315 152 1HE LYS 18 1HE LYS 18 7.618 5.374 0.486 153 2HE LYS 18 2HE LYS 18 7.519 4.408 -0.992 154 1HZ LYS 18 1HZ LYS 18 10.028 5.041 0.466 155 2HZ LYS 18 2HZ LYS 18 9.273 3.580 0.483 156 3HZ LYS 18 3HZ LYS 18 9.872 4.071 -0.905 157 H SER 19 H SER 19 5.178 4.757 -4.564 158 HA SER 19 HA SER 19 5.210 4.478 -7.518 159 1HB SER 19 1HB SER 19 3.877 2.535 -7.140 160 2HB SER 19 2HB SER 19 5.250 2.502 -6.000 161 HG SER 19 HG SER 19 2.762 2.220 -5.390 162 H ARG 20 H ARG 20 3.190 5.659 -4.907 163 HA ARG 20 HA ARG 20 1.156 6.660 -4.710 164 1HB ARG 20 1HB ARG 20 1.896 7.698 -7.453 165 2HB ARG 20 2HB ARG 20 0.351 8.108 -6.710 166 1HG ARG 20 1HG ARG 20 1.406 9.095 -4.785 167 2HG ARG 20 2HG ARG 20 3.013 8.597 -5.343 168 1HD ARG 20 1HD ARG 20 2.987 10.119 -7.175 169 2HD ARG 20 2HD ARG 20 1.245 10.346 -7.063 170 HE ARG 20 HE ARG 20 1.505 11.960 -5.457 171 1HH1 ARG 20 2HH1 ARG 20 4.641 10.351 -5.494 172 2HH1 ARG 20 1HH1 ARG 20 5.419 11.748 -4.821 173 1HH2 ARG 20 2HH2 ARG 20 2.556 13.593 -4.464 174 2HH2 ARG 20 1HH2 ARG 20 4.273 13.481 -4.186 175 H THR 21 H THR 21 1.391 3.851 -6.063 176 HA THR 21 HA THR 21 -1.273 3.481 -7.198 177 HB THR 21 HB THR 21 -0.582 1.088 -7.061 178 HG1 THR 21 1HG THR 21 0.807 1.088 -5.333 179 1HG2 THR 21 1HG2 THR 21 1.634 2.771 -8.279 180 2HG2 THR 21 2HG2 THR 21 1.069 1.163 -8.786 181 3HG2 THR 21 3HG2 THR 21 0.027 2.572 -9.028 182 H ILE 22 H ILE 22 -2.699 1.673 -6.125 183 HA ILE 22 HA ILE 22 -2.747 1.988 -3.148 184 HB ILE 22 HB ILE 22 -4.913 1.054 -5.027 185 1HG1 ILE 22 1HG1 ILE 22 -4.624 3.412 -5.496 186 2HG1 ILE 22 2HG1 ILE 22 -6.135 3.124 -4.661 187 1HG2 ILE 22 1HG2 ILE 22 -6.416 1.397 -3.037 188 2HG2 ILE 22 2HG2 ILE 22 -5.244 0.095 -2.843 189 3HG2 ILE 22 3HG2 ILE 22 -4.958 1.657 -2.046 190 1HD1 ILE 22 1HD1 ILE 22 -5.001 5.159 -3.848 191 2HD1 ILE 22 2HD1 ILE 22 -5.167 3.971 -2.549 192 3HD1 ILE 22 3HD1 ILE 22 -3.598 4.191 -3.365 193 H PHE 23 H PHE 23 -2.615 0.190 -1.975 194 HA PHE 23 HA PHE 23 -3.092 -2.429 -3.070 195 1HB PHE 23 1HB PHE 23 -0.894 -3.113 -1.546 196 2HB PHE 23 2HB PHE 23 -0.967 -3.083 -3.297 197 HD1 PHE 23 1HD PHE 23 0.850 -2.078 -4.297 198 HD2 PHE 23 2HD PHE 23 -0.373 -0.773 -0.485 199 HE1 PHE 23 1HE PHE 23 2.564 -0.298 -4.454 200 HE2 PHE 23 2HE PHE 23 1.358 1.112 -0.554 201 HZ PHE 23 HZ PHE 23 2.805 1.332 -2.566 202 H GLU 24 H GLU 24 -3.019 -4.081 -1.436 203 HA GLU 24 HA GLU 24 -4.736 -3.206 0.778 204 1HB GLU 24 1HB GLU 24 -5.566 -5.122 -0.078 205 2HB GLU 24 2HB GLU 24 -4.039 -5.803 -0.473 206 1HG GLU 24 1HG GLU 24 -5.165 -7.070 1.295 207 2HG GLU 24 2HG GLU 24 -3.629 -6.416 1.866 208 H LYS 25 H LYS 25 -3.945 -2.731 2.871 209 HA LYS 25 HA LYS 25 -1.360 -2.127 3.504 210 1HB LYS 25 1HB LYS 25 -3.362 -1.528 4.854 211 2HB LYS 25 2HB LYS 25 -3.500 -3.205 5.388 212 1HG LYS 25 1HG LYS 25 -1.343 -3.088 6.536 213 2HG LYS 25 2HG LYS 25 -1.042 -1.467 5.884 214 1HD LYS 25 1HD LYS 25 -3.011 -0.610 7.105 215 2HD LYS 25 2HD LYS 25 -3.314 -2.215 7.783 216 1HE LYS 25 1HE LYS 25 -0.701 -0.684 8.176 217 2HE LYS 25 2HE LYS 25 -2.086 -0.505 9.248 218 1HZ LYS 25 1HZ LYS 25 -0.608 -2.129 10.167 219 2HZ LYS 25 2HZ LYS 25 -1.953 -2.919 9.701 220 3HZ LYS 25 3HZ LYS 25 -0.568 -3.041 8.830 221 H SER 26 H SER 26 -3.089 -5.185 4.104 222 HA SER 26 HA SER 26 -0.858 -6.237 5.479 223 1HB SER 26 1HB SER 26 -1.964 -8.451 5.454 224 2HB SER 26 2HB SER 26 -2.965 -7.122 6.049 225 HG SER 26 HG SER 26 -4.013 -7.027 4.070 226 H LEU 27 H LEU 27 -1.407 -6.214 2.022 227 HA LEU 27 HA LEU 27 0.576 -8.332 1.488 228 1HB LEU 27 1HB LEU 27 -0.007 -6.330 -0.620 229 2HB LEU 27 2HB LEU 27 0.222 -8.069 -0.730 230 HG LEU 27 HG LEU 27 -2.253 -6.647 0.179 231 1HD1 LEU 27 1HD1 LEU 27 -1.488 -7.875 -2.452 232 2HD1 LEU 27 2HD1 LEU 27 -3.162 -7.389 -2.052 233 3HD1 LEU 27 3HD1 LEU 27 -1.857 -6.178 -2.108 234 1HD2 LEU 27 1HD2 LEU 27 -2.154 -8.915 1.130 235 2HD2 LEU 27 2HD2 LEU 27 -3.453 -8.743 -0.049 236 3HD2 LEU 27 3HD2 LEU 27 -1.944 -9.579 -0.511 237 H LEU 28 H LEU 28 0.467 -4.770 1.619 238 HA LEU 28 HA LEU 28 3.195 -4.383 0.708 239 1HB LEU 28 1HB LEU 28 1.506 -2.542 0.701 240 2HB LEU 28 2HB LEU 28 1.585 -2.516 2.464 241 HG LEU 28 HG LEU 28 4.145 -2.105 2.201 242 1HD1 LEU 28 1HD1 LEU 28 4.820 -1.045 0.063 243 2HD1 LEU 28 2HD1 LEU 28 4.432 -2.752 -0.142 244 3HD1 LEU 28 3HD1 LEU 28 3.264 -1.512 -0.653 245 1HD2 LEU 28 1HD2 LEU 28 2.207 -0.008 1.206 246 2HD2 LEU 28 2HD2 LEU 28 2.580 -0.380 2.898 247 3HD2 LEU 28 3HD2 LEU 28 3.838 0.286 1.845 248 H GLU 29 H GLU 29 1.668 -4.595 3.920 249 HA GLU 29 HA GLU 29 3.895 -4.346 5.606 250 1HB GLU 29 1HB GLU 29 1.483 -4.384 6.217 251 2HB GLU 29 2HB GLU 29 1.488 -6.146 6.035 252 1HG GLU 29 1HG GLU 29 3.173 -6.323 7.831 253 2HG GLU 29 2HG GLU 29 3.249 -4.560 7.954 254 H GLN 30 H GLN 30 2.681 -7.286 3.969 255 HA GLN 30 HA GLN 30 4.652 -9.112 4.988 256 1HB GLN 30 1HB GLN 30 2.496 -9.627 3.720 257 2HB GLN 30 2HB GLN 30 3.348 -9.229 2.238 258 1HG GLN 30 1HG GLN 30 5.022 -11.003 2.696 259 2HG GLN 30 2HG GLN 30 4.223 -11.367 4.228 260 1HE2 GLN 30 1HE2 GLN 30 3.619 -11.303 0.645 261 2HE2 GLN 30 2HE2 GLN 30 2.437 -12.604 0.722 262 H TYR 31 H TYR 31 4.621 -7.094 2.042 263 HA TYR 31 HA TYR 31 7.109 -8.131 0.984 264 1HB TYR 31 1HB TYR 31 5.219 -7.122 -0.325 265 2HB TYR 31 2HB TYR 31 5.620 -5.552 0.346 266 HD1 TYR 31 1HD TYR 31 6.857 -4.158 -1.070 267 HD2 TYR 31 2HD TYR 31 7.394 -8.411 -1.347 268 HE1 TYR 31 1HE TYR 31 8.476 -3.847 -2.950 269 HE2 TYR 31 2HE TYR 31 8.897 -8.079 -3.342 270 HH TYR 31 HH TYR 31 9.956 -6.579 -4.680 271 H VAL 32 H VAL 32 6.248 -5.348 2.921 272 HA VAL 32 HA VAL 32 8.877 -4.237 2.808 273 HB VAL 32 HB VAL 32 6.609 -3.055 2.927 274 1HG1 VAL 32 1HG1 VAL 32 5.978 -4.264 5.091 275 2HG1 VAL 32 2HG1 VAL 32 7.006 -3.115 5.945 276 3HG1 VAL 32 3HG1 VAL 32 5.605 -2.547 5.004 277 1HG2 VAL 32 1HG2 VAL 32 8.546 -1.667 2.966 278 2HG2 VAL 32 2HG2 VAL 32 7.435 -1.080 4.196 279 3HG2 VAL 32 3HG2 VAL 32 8.857 -2.000 4.693 280 H LYS 33 H LYS 33 7.435 -6.477 4.894 281 HA LYS 33 HA LYS 33 9.697 -6.294 6.865 282 1HB LYS 33 1HB LYS 33 8.586 -7.640 8.341 283 2HB LYS 33 2HB LYS 33 7.319 -6.620 7.674 284 1HG LYS 33 1HG LYS 33 6.726 -8.539 6.118 285 2HG LYS 33 2HG LYS 33 7.879 -9.544 6.988 286 1HD LYS 33 1HD LYS 33 5.430 -8.153 8.157 287 2HD LYS 33 2HD LYS 33 5.516 -9.856 7.732 288 1HE LYS 33 1HE LYS 33 7.219 -8.494 9.875 289 2HE LYS 33 2HE LYS 33 5.743 -9.410 10.178 290 1HZ LYS 33 1HZ LYS 33 6.845 -11.381 9.252 291 2HZ LYS 33 2HZ LYS 33 8.225 -10.544 8.998 292 3HZ LYS 33 3HZ LYS 33 7.690 -10.794 10.518 293 H ASP 34 H ASP 34 8.901 -7.867 4.007 294 HA ASP 34 HA ASP 34 10.746 -10.136 4.196 295 1HB ASP 34 1HB ASP 34 8.846 -9.044 2.257 296 2HB ASP 34 2HB ASP 34 10.355 -9.337 1.465 297 H THR 35 H THR 35 10.788 -7.047 2.405 298 HA THR 35 HA THR 35 13.806 -6.976 2.493 299 HB THR 35 HB THR 35 13.806 -6.099 0.205 300 HG1 THR 35 1HG THR 35 11.088 -6.880 0.081 301 1HG2 THR 35 1HG2 THR 35 12.360 -8.777 0.290 302 2HG2 THR 35 2HG2 THR 35 13.312 -8.118 -1.052 303 3HG2 THR 35 3HG2 THR 35 14.110 -8.539 0.477 304 H GLY 36 H GLY 36 10.780 -5.281 2.665 305 1HA GLY 36 1HA GLY 36 10.425 -3.136 3.539 306 2HA GLY 36 2HA GLY 36 12.118 -2.732 3.347 307 H ASN 37 H ASN 37 11.518 -4.095 0.428 308 HA ASN 37 HA ASN 37 11.758 -1.581 -0.847 309 1HB ASN 37 1HB ASN 37 11.075 -4.367 -1.868 310 2HB ASN 37 2HB ASN 37 11.402 -3.022 -2.933 311 1HD2 ASN 37 1HD2 ASN 37 12.930 -5.349 -3.049 312 2HD2 ASN 37 2HD2 ASN 37 14.556 -4.927 -2.525 313 H ASP 38 H ASP 38 10.491 -0.400 -2.211 314 HA ASP 38 HA ASP 38 7.606 -0.398 -2.018 315 1HB ASP 38 1HB ASP 38 9.529 0.968 -3.935 316 2HB ASP 38 2HB ASP 38 7.784 1.218 -3.947 317 HA PRO 39 HA PRO 39 6.990 -3.908 -4.733 318 1HB PRO 39 1HB PRO 39 4.432 -2.480 -5.501 319 2HB PRO 39 2HB PRO 39 4.677 -4.202 -5.067 320 1HG PRO 39 1HG PRO 39 3.703 -2.470 -3.246 321 2HG PRO 39 2HG PRO 39 4.974 -3.641 -2.761 322 1HD PRO 39 1HD PRO 39 5.259 -0.709 -3.408 323 2HD PRO 39 2HD PRO 39 6.020 -1.684 -2.114 324 H ILE 40 H ILE 40 7.438 -0.880 -6.197 325 HA ILE 40 HA ILE 40 7.185 -1.970 -8.999 326 HB ILE 40 HB ILE 40 6.096 0.617 -7.866 327 1HG1 ILE 40 1HG1 ILE 40 4.657 -1.300 -9.729 328 2HG1 ILE 40 2HG1 ILE 40 4.783 -1.710 -8.025 329 1HG2 ILE 40 1HG2 ILE 40 5.485 1.259 -10.215 330 2HG2 ILE 40 2HG2 ILE 40 7.220 1.291 -9.931 331 3HG2 ILE 40 3HG2 ILE 40 6.495 -0.072 -10.813 332 1HD1 ILE 40 1HD1 ILE 40 3.663 0.285 -7.328 333 2HD1 ILE 40 2HD1 ILE 40 3.600 0.907 -8.999 334 3HD1 ILE 40 3HD1 ILE 40 2.687 -0.541 -8.553 335 H THR 41 H THR 41 8.736 0.543 -6.936 336 HA THR 41 HA THR 41 10.839 0.916 -9.006 337 HB THR 41 HB THR 41 11.560 2.821 -7.484 338 HG1 THR 41 1HG THR 41 8.880 2.493 -6.716 339 1HG2 THR 41 1HG2 THR 41 8.844 2.954 -8.882 340 2HG2 THR 41 2HG2 THR 41 9.863 4.334 -8.422 341 3HG2 THR 41 3HG2 THR 41 10.432 3.184 -9.643 342 H ASN 42 H ASN 42 10.286 -0.962 -6.253 343 HA ASN 42 HA ASN 42 11.372 -1.837 -4.619 344 1HB ASN 42 1HB ASN 42 12.968 -3.409 -5.275 345 2HB ASN 42 2HB ASN 42 11.782 -3.261 -6.545 346 1HD2 ASN 42 2HD2 ASN 42 15.020 -1.959 -5.668 347 2HD2 ASN 42 1HD2 ASN 42 15.633 -2.004 -7.327 348 H GLU 43 H GLU 43 11.828 0.921 -4.586 349 HA GLU 43 HA GLU 43 14.575 1.308 -3.589 350 1HB GLU 43 1HB GLU 43 12.184 3.120 -3.086 351 2HB GLU 43 2HB GLU 43 13.894 3.477 -2.840 352 1HG GLU 43 1HG GLU 43 14.049 2.837 -5.427 353 2HG GLU 43 2HG GLU 43 12.337 3.225 -5.404 354 HA PRO 44 HA PRO 44 13.811 -0.703 0.216 355 1HB PRO 44 1HB PRO 44 15.794 0.245 1.862 356 2HB PRO 44 2HB PRO 44 16.085 -0.837 0.465 357 1HG PRO 44 1HG PRO 44 16.333 2.185 0.558 358 2HG PRO 44 2HG PRO 44 17.508 1.000 -0.088 359 1HD PRO 44 1HD PRO 44 15.763 2.309 -1.714 360 2HD PRO 44 2HD PRO 44 16.180 0.591 -2.005 361 H LEU 45 H LEU 45 12.406 -0.524 1.743 362 HA LEU 45 HA LEU 45 11.160 0.071 3.501 363 1HB LEU 45 1HB LEU 45 12.697 2.683 3.647 364 2HB LEU 45 2HB LEU 45 11.278 2.315 4.596 365 HG LEU 45 HG LEU 45 12.411 0.286 5.528 366 1HD1 LEU 45 1HD1 LEU 45 14.869 1.457 4.154 367 2HD1 LEU 45 2HD1 LEU 45 14.927 0.277 5.483 368 3HD1 LEU 45 3HD1 LEU 45 14.199 -0.181 3.951 369 1HD2 LEU 45 1HD2 LEU 45 12.294 2.452 6.714 370 2HD2 LEU 45 2HD2 LEU 45 13.785 1.582 7.098 371 3HD2 LEU 45 3HD2 LEU 45 13.824 2.951 5.962 372 H SER 46 H SER 46 9.162 1.051 3.806 373 HA SER 46 HA SER 46 7.961 2.551 1.585 374 1HB SER 46 1HB SER 46 7.997 -0.010 1.092 375 2HB SER 46 2HB SER 46 6.644 -0.061 2.222 376 HG SER 46 HG SER 46 6.905 1.464 -0.170 377 H ILE 47 H ILE 47 6.931 0.488 4.299 378 HA ILE 47 HA ILE 47 4.835 1.956 5.090 379 HB ILE 47 HB ILE 47 5.462 -0.381 5.560 380 1HG1 ILE 47 1HG1 ILE 47 4.559 0.697 8.212 381 2HG1 ILE 47 2HG1 ILE 47 3.585 1.050 6.782 382 1HG2 ILE 47 1HG2 ILE 47 6.995 0.692 7.966 383 2HG2 ILE 47 2HG2 ILE 47 6.716 -1.004 7.555 384 3HG2 ILE 47 3HG2 ILE 47 7.736 -0.008 6.511 385 1HD1 ILE 47 1HD1 ILE 47 4.457 -1.737 7.628 386 2HD1 ILE 47 2HD1 ILE 47 2.827 -1.045 7.816 387 3HD1 ILE 47 3HD1 ILE 47 3.500 -1.334 6.189 388 H GLU 48 H GLU 48 8.056 2.713 5.966 389 HA GLU 48 HA GLU 48 7.423 4.543 8.148 390 1HB GLU 48 1HB GLU 48 9.898 4.201 6.409 391 2HB GLU 48 2HB GLU 48 9.785 5.354 7.739 392 1HG GLU 48 1HG GLU 48 9.555 2.328 7.990 393 2HG GLU 48 2HG GLU 48 10.950 3.309 8.417 394 H GLU 49 H GLU 49 6.790 4.600 4.880 395 HA GLU 49 HA GLU 49 6.486 7.576 4.815 396 1HB GLU 49 1HB GLU 49 7.483 5.746 2.588 397 2HB GLU 49 2HB GLU 49 7.064 7.451 2.377 398 1HG GLU 49 1HG GLU 49 8.812 8.060 4.066 399 2HG GLU 49 2HG GLU 49 9.286 6.359 4.160 400 H ILE 50 H ILE 50 4.777 4.969 5.193 401 HA ILE 50 HA ILE 50 2.952 4.725 3.116 402 HB ILE 50 HB ILE 50 3.387 3.229 5.061 403 1HG1 ILE 50 1HG1 ILE 50 0.418 3.558 4.625 404 2HG1 ILE 50 2HG1 ILE 50 1.520 2.952 3.379 405 1HG2 ILE 50 1HG2 ILE 50 2.202 3.431 7.147 406 2HG2 ILE 50 2HG2 ILE 50 3.008 4.973 6.865 407 3HG2 ILE 50 3HG2 ILE 50 1.272 4.823 6.559 408 1HD1 ILE 50 1HD1 ILE 50 2.217 1.098 4.781 409 2HD1 ILE 50 2HD1 ILE 50 1.216 1.681 6.137 410 3HD1 ILE 50 3HD1 ILE 50 0.451 1.108 4.665 411 H VAL 51 H VAL 51 1.006 5.254 2.747 412 HA VAL 51 HA VAL 51 -0.481 7.419 4.208 413 HB VAL 51 HB VAL 51 -0.433 7.009 1.201 414 1HG1 VAL 51 1HG1 VAL 51 -1.870 9.027 1.124 415 2HG1 VAL 51 2HG1 VAL 51 -2.679 7.704 1.962 416 3HG1 VAL 51 3HG1 VAL 51 -1.963 9.033 2.901 417 1HG2 VAL 51 1HG2 VAL 51 0.564 9.330 2.910 418 2HG2 VAL 51 2HG2 VAL 51 1.583 8.191 2.007 419 3HG2 VAL 51 3HG2 VAL 51 0.513 9.293 1.133 420 H GLU 52 H GLU 52 -1.747 6.050 5.426 421 HA GLU 52 HA GLU 52 -3.105 3.761 4.140 422 1HB GLU 52 1HB GLU 52 -3.514 4.659 6.998 423 2HB GLU 52 2HB GLU 52 -3.794 3.063 6.272 424 1HG GLU 52 1HG GLU 52 -1.397 2.665 6.120 425 2HG GLU 52 2HG GLU 52 -1.042 4.300 6.684 426 H ILE 53 H ILE 53 -5.038 3.898 3.202 427 HA ILE 53 HA ILE 53 -6.792 6.246 3.616 428 HB ILE 53 HB ILE 53 -7.132 3.902 1.697 429 1HG1 ILE 53 1HG1 ILE 53 -6.684 5.934 0.021 430 2HG1 ILE 53 2HG1 ILE 53 -5.766 6.587 1.371 431 1HG2 ILE 53 1HG2 ILE 53 -8.550 6.595 1.892 432 2HG2 ILE 53 2HG2 ILE 53 -8.816 5.361 0.643 433 3HG2 ILE 53 3HG2 ILE 53 -9.250 5.016 2.313 434 1HD1 ILE 53 1HD1 ILE 53 -5.328 3.875 0.018 435 2HD1 ILE 53 2HD1 ILE 53 -4.376 5.342 -0.266 436 3HD1 ILE 53 3HD1 ILE 53 -4.310 4.553 1.313 437 H VAL 54 H VAL 54 -7.657 6.015 5.611 438 HA VAL 54 HA VAL 54 -8.357 3.676 6.946 439 HB VAL 54 HB VAL 54 -8.118 5.782 8.048 440 1HG1 VAL 54 1HG1 VAL 54 -9.313 7.296 6.466 441 2HG1 VAL 54 2HG1 VAL 54 -10.859 6.634 7.040 442 3HG1 VAL 54 3HG1 VAL 54 -9.792 7.504 8.155 443 1HG2 VAL 54 1HG2 VAL 54 -9.336 3.965 9.180 444 2HG2 VAL 54 2HG2 VAL 54 -9.892 5.563 9.696 445 3HG2 VAL 54 3HG2 VAL 54 -10.878 4.619 8.568 446 HA PRO 55 HA PRO 55 -11.696 2.331 4.341 447 1HB PRO 55 1HB PRO 55 -12.411 -0.020 5.548 448 2HB PRO 55 2HB PRO 55 -10.862 0.215 4.686 449 1HG PRO 55 1HG PRO 55 -11.379 0.456 7.673 450 2HG PRO 55 2HG PRO 55 -10.105 -0.500 6.845 451 1HD PRO 55 1HD PRO 55 -9.598 1.974 7.830 452 2HD PRO 55 2HD PRO 55 -8.887 1.447 6.276 453 H SER 56 H SER 56 -12.265 3.136 7.669 454 HA SER 56 HA SER 56 -14.984 2.647 8.067 455 1HB SER 56 1HB SER 56 -13.391 5.063 9.014 456 2HB SER 56 2HB SER 56 -14.866 4.416 9.756 457 HG SER 56 HG SER 56 -13.734 2.512 10.260 Start of MODEL 5 1 H MET 1 H MET 1 -6.358 1.493 -9.668 2 HA MET 1 HA MET 1 -6.522 1.518 -7.257 3 1HB MET 1 1HB MET 1 -8.893 1.296 -6.833 4 2HB MET 1 2HB MET 1 -8.634 2.048 -8.407 5 1HG MET 1 1HG MET 1 -9.062 -0.121 -9.526 6 2HG MET 1 2HG MET 1 -9.311 -0.895 -7.963 7 1HE MET 1 1HE MET 1 -11.406 -0.741 -6.504 8 2HE MET 1 2HE MET 1 -11.129 0.997 -6.244 9 3HE MET 1 3HE MET 1 -12.730 0.420 -6.746 10 H LEU 2 H LEU 2 -6.088 -1.502 -8.520 11 HA LEU 2 HA LEU 2 -6.590 -2.951 -5.943 12 1HB LEU 2 1HB LEU 2 -6.059 -4.102 -8.713 13 2HB LEU 2 2HB LEU 2 -6.493 -5.017 -7.272 14 HG LEU 2 HG LEU 2 -8.306 -3.025 -8.713 15 1HD1 LEU 2 1HD1 LEU 2 -9.571 -5.009 -9.388 16 2HD1 LEU 2 2HD1 LEU 2 -7.907 -5.091 -9.989 17 3HD1 LEU 2 3HD1 LEU 2 -8.389 -6.064 -8.581 18 1HD2 LEU 2 1HD2 LEU 2 -10.097 -3.934 -7.275 19 2HD2 LEU 2 2HD2 LEU 2 -8.907 -4.932 -6.416 20 3HD2 LEU 2 3HD2 LEU 2 -8.846 -3.157 -6.294 21 H CYS 3 H CYS 3 -5.052 -4.412 -5.051 22 HA CYS 3 HA CYS 3 -2.775 -3.083 -4.634 23 1HB CYS 3 1HB CYS 3 -2.985 -6.056 -4.099 24 2HB CYS 3 2HB CYS 3 -2.268 -4.851 -3.119 25 HG CYS 3 HG CYS 3 -4.540 -6.352 -2.635 26 H ALA 4 H ALA 4 -0.749 -2.975 -5.123 27 HA ALA 4 HA ALA 4 0.163 -4.191 -7.634 28 1HB ALA 4 1HB ALA 4 1.926 -2.785 -5.621 29 2HB ALA 4 2HB ALA 4 2.191 -3.017 -7.350 30 3HB ALA 4 3HB ALA 4 0.907 -1.922 -6.811 31 H ILE 5 H ILE 5 0.098 -5.277 -4.341 32 HA ILE 5 HA ILE 5 2.386 -7.111 -4.616 33 HB ILE 5 HB ILE 5 0.412 -6.582 -2.375 34 1HG1 ILE 5 1HG1 ILE 5 2.839 -6.113 -1.299 35 2HG1 ILE 5 2HG1 ILE 5 3.243 -5.736 -2.965 36 1HG2 ILE 5 1HG2 ILE 5 2.763 -8.574 -2.589 37 2HG2 ILE 5 2HG2 ILE 5 1.968 -8.165 -1.063 38 3HG2 ILE 5 3HG2 ILE 5 1.058 -8.997 -2.316 39 1HD1 ILE 5 1HD1 ILE 5 2.509 -3.773 -1.605 40 2HD1 ILE 5 2HD1 ILE 5 1.439 -4.030 -2.991 41 3HD1 ILE 5 3HD1 ILE 5 0.940 -4.535 -1.355 42 H SER 6 H SER 6 -1.161 -7.630 -4.044 43 HA SER 6 HA SER 6 -0.902 -10.113 -5.681 44 1HB SER 6 1HB SER 6 -2.704 -9.954 -3.291 45 2HB SER 6 2HB SER 6 -2.406 -11.344 -4.333 46 HG SER 6 HG SER 6 -1.142 -11.507 -2.470 47 H GLY 7 H GLY 7 -2.681 -7.208 -5.560 48 1HA GLY 7 1HA GLY 7 -4.110 -6.470 -7.259 49 2HA GLY 7 2HA GLY 7 -4.057 -8.092 -7.925 50 H LYS 8 H LYS 8 -4.742 -7.907 -4.706 51 HA LYS 8 HA LYS 8 -7.433 -9.010 -4.757 52 1HB LYS 8 1HB LYS 8 -5.546 -9.461 -3.116 53 2HB LYS 8 2HB LYS 8 -5.664 -7.807 -2.565 54 1HG LYS 8 1HG LYS 8 -6.706 -9.249 -0.954 55 2HG LYS 8 2HG LYS 8 -8.010 -8.346 -1.727 56 1HD LYS 8 1HD LYS 8 -8.495 -10.293 -3.194 57 2HD LYS 8 2HD LYS 8 -7.118 -11.166 -2.491 58 1HE LYS 8 1HE LYS 8 -8.202 -11.050 -0.249 59 2HE LYS 8 2HE LYS 8 -9.574 -10.181 -0.954 60 1HZ LYS 8 1HZ LYS 8 -10.047 -12.551 -0.743 61 2HZ LYS 8 2HZ LYS 8 -10.029 -12.157 -2.322 62 3HZ LYS 8 3HZ LYS 8 -8.761 -12.954 -1.662 63 H VAL 9 H VAL 9 -9.278 -7.966 -3.681 64 HA VAL 9 HA VAL 9 -9.641 -5.105 -4.285 65 HB VAL 9 HB VAL 9 -11.424 -7.014 -2.714 66 1HG1 VAL 9 1HG1 VAL 9 -11.843 -4.653 -2.092 67 2HG1 VAL 9 2HG1 VAL 9 -11.953 -4.209 -3.809 68 3HG1 VAL 9 3HG1 VAL 9 -13.168 -5.280 -3.077 69 1HG2 VAL 9 1HG2 VAL 9 -11.592 -6.006 -5.593 70 2HG2 VAL 9 2HG2 VAL 9 -11.240 -7.670 -5.086 71 3HG2 VAL 9 3HG2 VAL 9 -12.828 -6.972 -4.758 72 HA PRO 10 HA PRO 10 -7.134 -4.466 -0.652 73 1HB PRO 10 1HB PRO 10 -7.196 -1.725 -0.413 74 2HB PRO 10 2HB PRO 10 -6.218 -2.621 -1.612 75 1HG PRO 10 1HG PRO 10 -8.937 -1.342 -2.006 76 2HG PRO 10 2HG PRO 10 -7.492 -1.239 -3.065 77 1HD PRO 10 1HD PRO 10 -9.507 -2.973 -3.590 78 2HD PRO 10 2HD PRO 10 -7.799 -3.442 -3.855 79 H ARG 11 H ARG 11 -8.114 -5.354 1.024 80 HA ARG 11 HA ARG 11 -10.505 -4.617 2.377 81 1HB ARG 11 1HB ARG 11 -8.006 -5.928 3.524 82 2HB ARG 11 2HB ARG 11 -9.585 -5.888 4.305 83 1HG ARG 11 1HG ARG 11 -10.588 -7.170 2.461 84 2HG ARG 11 2HG ARG 11 -9.043 -7.216 1.602 85 1HD ARG 11 1HD ARG 11 -9.536 -8.429 4.352 86 2HD ARG 11 2HD ARG 11 -9.576 -9.307 2.816 87 HE ARG 11 HE ARG 11 -7.059 -7.830 3.378 88 1HH1 ARG 11 2HH2 ARG 11 -8.532 -11.005 3.644 89 2HH1 ARG 11 1HH2 ARG 11 -6.961 -11.762 3.754 90 1HH2 ARG 11 2HH1 ARG 11 -5.271 -8.759 3.527 91 2HH2 ARG 11 1HH1 ARG 11 -5.097 -10.512 3.686 92 H ARG 12 H ARG 12 -7.163 -3.645 3.119 93 HA ARG 12 HA ARG 12 -8.232 -1.091 4.350 94 1HB ARG 12 1HB ARG 12 -5.764 -2.671 5.064 95 2HB ARG 12 2HB ARG 12 -6.129 -1.072 5.692 96 1HG ARG 12 1HG ARG 12 -7.874 -1.800 7.036 97 2HG ARG 12 2HG ARG 12 -8.241 -3.218 6.056 98 1HD ARG 12 1HD ARG 12 -5.720 -2.939 7.703 99 2HD ARG 12 2HD ARG 12 -7.194 -3.729 8.256 100 HE ARG 12 HE ARG 12 -5.686 -4.664 5.793 101 1HH1 ARG 12 2HH1 ARG 12 -7.269 -5.589 8.795 102 2HH1 ARG 12 1HH1 ARG 12 -7.184 -7.279 8.373 103 1HH2 ARG 12 2HH2 ARG 12 -5.675 -6.751 5.330 104 2HH2 ARG 12 1HH2 ARG 12 -6.298 -7.920 6.481 105 HA PRO 13 HA PRO 13 -6.050 -0.025 0.450 106 1HB PRO 13 1HB PRO 13 -7.196 2.475 0.059 107 2HB PRO 13 2HB PRO 13 -7.893 0.919 -0.479 108 1HG PRO 13 1HG PRO 13 -8.493 2.411 2.103 109 2HG PRO 13 2HG PRO 13 -9.659 1.740 0.906 110 1HD PRO 13 1HD PRO 13 -9.110 0.266 3.049 111 2HD PRO 13 2HD PRO 13 -8.960 -0.504 1.421 112 H VAL 14 H VAL 14 -4.175 0.552 0.505 113 HA VAL 14 HA VAL 14 -3.192 2.924 2.059 114 HB VAL 14 HB VAL 14 -2.935 0.418 3.072 115 1HG1 VAL 14 1HG1 VAL 14 -0.609 -0.356 2.807 116 2HG1 VAL 14 2HG1 VAL 14 -1.573 -0.497 1.334 117 3HG1 VAL 14 3HG1 VAL 14 -0.359 0.805 1.510 118 1HG2 VAL 14 1HG2 VAL 14 -2.454 2.313 4.342 119 2HG2 VAL 14 2HG2 VAL 14 -1.015 1.309 4.388 120 3HG2 VAL 14 3HG2 VAL 14 -1.050 2.747 3.329 121 H LEU 15 H LEU 15 -1.307 3.911 1.310 122 HA LEU 15 HA LEU 15 -0.506 3.289 -1.512 123 1HB LEU 15 1HB LEU 15 -2.220 4.973 -1.424 124 2HB LEU 15 2HB LEU 15 -1.392 5.901 -0.206 125 HG LEU 15 HG LEU 15 0.070 5.473 -2.810 126 1HD1 LEU 15 1HD1 LEU 15 -1.118 7.412 -3.816 127 2HD1 LEU 15 2HD1 LEU 15 -2.179 6.016 -3.595 128 3HD1 LEU 15 3HD1 LEU 15 -2.280 7.388 -2.469 129 1HD2 LEU 15 1HD2 LEU 15 1.034 6.858 -0.904 130 2HD2 LEU 15 2HD2 LEU 15 0.834 7.750 -2.419 131 3HD2 LEU 15 3HD2 LEU 15 -0.326 7.968 -1.096 132 H SER 16 H SER 16 1.605 3.907 -2.080 133 HA SER 16 HA SER 16 3.434 4.926 0.056 134 1HB SER 16 1HB SER 16 4.129 2.687 -0.621 135 2HB SER 16 2HB SER 16 4.112 3.175 -2.334 136 HG SER 16 HG SER 16 6.191 3.252 -1.293 137 HA PRO 17 HA PRO 17 3.316 8.397 -2.764 138 1HB PRO 17 1HB PRO 17 5.346 9.974 -1.783 139 2HB PRO 17 2HB PRO 17 3.756 9.759 -0.989 140 1HG PRO 17 1HG PRO 17 6.352 8.321 -0.384 141 2HG PRO 17 2HG PRO 17 5.203 9.085 0.760 142 1HD PRO 17 1HD PRO 17 5.186 6.402 0.256 143 2HD PRO 17 2HD PRO 17 3.670 7.308 0.557 144 H LYS 18 H LYS 18 5.749 6.067 -2.826 145 HA LYS 18 HA LYS 18 7.438 7.283 -4.935 146 1HB LYS 18 1HB LYS 18 7.414 4.515 -3.645 147 2HB LYS 18 2HB LYS 18 8.459 5.006 -4.970 148 1HG LYS 18 1HG LYS 18 9.778 5.137 -3.084 149 2HG LYS 18 2HG LYS 18 9.443 6.798 -3.533 150 1HD LYS 18 1HD LYS 18 8.122 7.197 -1.649 151 2HD LYS 18 2HD LYS 18 7.704 5.490 -1.417 152 1HE LYS 18 1HE LYS 18 10.567 6.420 -1.127 153 2HE LYS 18 2HE LYS 18 9.425 6.610 0.212 154 1HZ LYS 18 1HZ LYS 18 9.081 4.270 0.284 155 2HZ LYS 18 2HZ LYS 18 9.808 3.982 -1.115 156 3HZ LYS 18 3HZ LYS 18 10.696 4.432 0.201 157 H SER 19 H SER 19 5.188 4.488 -4.624 158 HA SER 19 HA SER 19 5.044 4.055 -7.500 159 1HB SER 19 1HB SER 19 3.617 2.217 -6.869 160 2HB SER 19 2HB SER 19 5.025 2.264 -5.780 161 HG SER 19 HG SER 19 2.484 2.245 -5.119 162 H ARG 20 H ARG 20 3.043 5.446 -4.980 163 HA ARG 20 HA ARG 20 1.148 6.614 -4.827 164 1HB ARG 20 1HB ARG 20 1.464 7.476 -7.716 165 2HB ARG 20 2HB ARG 20 0.600 8.300 -6.408 166 1HG ARG 20 1HG ARG 20 2.856 8.443 -5.181 167 2HG ARG 20 2HG ARG 20 3.608 7.888 -6.678 168 1HD ARG 20 1HD ARG 20 3.858 10.186 -6.809 169 2HD ARG 20 2HD ARG 20 2.458 9.878 -7.827 170 HE ARG 20 HE ARG 20 1.114 11.064 -6.322 171 1HH1 ARG 20 2HH2 ARG 20 4.163 10.449 -4.644 172 2HH1 ARG 20 1HH2 ARG 20 3.792 11.652 -3.436 173 1HH2 ARG 20 2HH1 ARG 20 0.719 12.489 -4.694 174 2HH2 ARG 20 1HH1 ARG 20 1.889 12.711 -3.427 175 H THR 21 H THR 21 1.168 3.813 -6.104 176 HA THR 21 HA THR 21 -1.516 3.449 -7.184 177 HB THR 21 HB THR 21 -0.820 1.048 -6.984 178 HG1 THR 21 1HG THR 21 1.229 0.577 -6.314 179 1HG2 THR 21 1HG2 THR 21 0.824 1.047 -8.702 180 2HG2 THR 21 2HG2 THR 21 -0.164 2.485 -8.991 181 3HG2 THR 21 3HG2 THR 21 1.442 2.644 -8.234 182 H ILE 22 H ILE 22 -2.788 1.528 -5.971 183 HA ILE 22 HA ILE 22 -2.767 1.999 -3.019 184 HB ILE 22 HB ILE 22 -5.087 1.254 -4.787 185 1HG1 ILE 22 1HG1 ILE 22 -4.636 3.626 -5.108 186 2HG1 ILE 22 2HG1 ILE 22 -6.158 3.354 -4.283 187 1HG2 ILE 22 1HG2 ILE 22 -5.348 0.180 -2.648 188 2HG2 ILE 22 2HG2 ILE 22 -4.944 1.672 -1.778 189 3HG2 ILE 22 3HG2 ILE 22 -6.460 1.547 -2.700 190 1HD1 ILE 22 1HD1 ILE 22 -4.904 5.261 -3.328 191 2HD1 ILE 22 2HD1 ILE 22 -5.148 3.991 -2.121 192 3HD1 ILE 22 3HD1 ILE 22 -3.569 4.168 -2.918 193 H PHE 23 H PHE 23 -2.393 0.266 -1.881 194 HA PHE 23 HA PHE 23 -3.045 -2.421 -2.883 195 1HB PHE 23 1HB PHE 23 -0.858 -3.043 -1.363 196 2HB PHE 23 2HB PHE 23 -0.892 -3.016 -3.110 197 HD1 PHE 23 1HD PHE 23 0.742 -1.761 -4.205 198 HD2 PHE 23 2HD PHE 23 -0.155 -0.979 -0.167 199 HE1 PHE 23 1HE PHE 23 2.466 0.049 -4.239 200 HE2 PHE 23 2HE PHE 23 1.460 1.014 -0.176 201 HZ PHE 23 HZ PHE 23 2.776 1.458 -2.232 202 H GLU 24 H GLU 24 -2.852 -4.015 -1.046 203 HA GLU 24 HA GLU 24 -4.667 -2.981 0.954 204 1HB GLU 24 1HB GLU 24 -4.349 -5.466 0.027 205 2HB GLU 24 2HB GLU 24 -3.385 -5.583 1.519 206 1HG GLU 24 1HG GLU 24 -6.081 -4.348 1.810 207 2HG GLU 24 2HG GLU 24 -6.077 -6.027 1.291 208 H LYS 25 H LYS 25 -4.080 -2.819 3.369 209 HA LYS 25 HA LYS 25 -1.439 -1.852 4.019 210 1HB LYS 25 1HB LYS 25 -3.474 -1.351 5.398 211 2HB LYS 25 2HB LYS 25 -3.539 -3.061 5.868 212 1HG LYS 25 1HG LYS 25 -1.058 -2.693 6.692 213 2HG LYS 25 2HG LYS 25 -1.411 -0.987 6.508 214 1HD LYS 25 1HD LYS 25 -1.677 -1.640 8.804 215 2HD LYS 25 2HD LYS 25 -3.253 -1.207 8.154 216 1HE LYS 25 1HE LYS 25 -3.323 -3.161 9.658 217 2HE LYS 25 2HE LYS 25 -3.919 -3.550 8.048 218 1HZ LYS 25 1HZ LYS 25 -1.105 -4.176 8.776 219 2HZ LYS 25 2HZ LYS 25 -2.336 -5.183 9.153 220 3HZ LYS 25 3HZ LYS 25 -2.058 -4.851 7.608 221 H SER 26 H SER 26 -3.100 -4.948 4.537 222 HA SER 26 HA SER 26 -0.766 -6.051 5.815 223 1HB SER 26 1HB SER 26 -3.308 -7.417 4.924 224 2HB SER 26 2HB SER 26 -2.038 -8.175 5.905 225 HG SER 26 HG SER 26 -3.696 -7.196 7.190 226 H LEU 27 H LEU 27 -1.737 -6.100 2.443 227 HA LEU 27 HA LEU 27 0.110 -8.254 1.702 228 1HB LEU 27 1HB LEU 27 -1.018 -6.065 -0.079 229 2HB LEU 27 2HB LEU 27 -0.189 -7.548 -0.528 230 HG LEU 27 HG LEU 27 -3.014 -7.236 0.363 231 1HD1 LEU 27 1HD1 LEU 27 -1.664 -8.574 -1.936 232 2HD1 LEU 27 2HD1 LEU 27 -3.430 -8.460 -1.670 233 3HD1 LEU 27 3HD1 LEU 27 -2.468 -6.990 -1.947 234 1HD2 LEU 27 1HD2 LEU 27 -3.305 -9.634 0.439 235 2HD2 LEU 27 2HD2 LEU 27 -1.538 -9.866 0.331 236 3HD2 LEU 27 3HD2 LEU 27 -2.280 -9.063 1.748 237 H LEU 28 H LEU 28 0.252 -4.663 1.780 238 HA LEU 28 HA LEU 28 2.923 -4.485 0.690 239 1HB LEU 28 1HB LEU 28 1.399 -2.544 0.774 240 2HB LEU 28 2HB LEU 28 1.501 -2.549 2.533 241 HG LEU 28 HG LEU 28 4.091 -2.310 2.219 242 1HD1 LEU 28 1HD1 LEU 28 4.779 -1.214 0.118 243 2HD1 LEU 28 2HD1 LEU 28 4.263 -2.881 -0.146 244 3HD1 LEU 28 3HD1 LEU 28 3.180 -1.534 -0.573 245 1HD2 LEU 28 1HD2 LEU 28 2.774 -0.578 3.109 246 2HD2 LEU 28 2HD2 LEU 28 3.865 0.137 1.908 247 3HD2 LEU 28 3HD2 LEU 28 2.150 -0.126 1.515 248 H GLU 29 H GLU 29 1.570 -4.541 4.011 249 HA GLU 29 HA GLU 29 3.885 -4.369 5.565 250 1HB GLU 29 1HB GLU 29 1.529 -4.316 6.339 251 2HB GLU 29 2HB GLU 29 1.458 -6.082 6.165 252 1HG GLU 29 1HG GLU 29 3.291 -6.268 7.852 253 2HG GLU 29 2HG GLU 29 3.309 -4.508 8.011 254 H GLN 30 H GLN 30 2.541 -7.264 3.984 255 HA GLN 30 HA GLN 30 4.482 -9.157 4.974 256 1HB GLN 30 1HB GLN 30 2.268 -9.611 3.773 257 2HB GLN 30 2HB GLN 30 3.092 -9.253 2.265 258 1HG GLN 30 1HG GLN 30 4.728 -11.075 2.717 259 2HG GLN 30 2HG GLN 30 3.922 -11.414 4.251 260 1HE2 GLN 30 1HE2 GLN 30 3.413 -11.426 0.664 261 2HE2 GLN 30 2HE2 GLN 30 2.136 -12.636 0.750 262 H TYR 31 H TYR 31 4.409 -7.140 2.032 263 HA TYR 31 HA TYR 31 6.802 -8.277 0.859 264 1HB TYR 31 1HB TYR 31 4.893 -7.221 -0.373 265 2HB TYR 31 2HB TYR 31 5.375 -5.652 0.260 266 HD1 TYR 31 1HD TYR 31 6.711 -4.316 -1.179 267 HD2 TYR 31 2HD TYR 31 6.899 -8.597 -1.484 268 HE1 TYR 31 1HE TYR 31 8.246 -4.120 -3.133 269 HE2 TYR 31 2HE TYR 31 8.319 -8.367 -3.567 270 HH TYR 31 HH TYR 31 9.390 -5.194 -4.769 271 H VAL 32 H VAL 32 6.124 -5.428 2.768 272 HA VAL 32 HA VAL 32 8.786 -4.388 2.498 273 HB VAL 32 HB VAL 32 6.538 -3.151 2.789 274 1HG1 VAL 32 1HG1 VAL 32 5.662 -2.668 4.931 275 2HG1 VAL 32 2HG1 VAL 32 5.943 -4.404 4.896 276 3HG1 VAL 32 3HG1 VAL 32 7.069 -3.361 5.776 277 1HG2 VAL 32 1HG2 VAL 32 8.518 -1.789 2.800 278 2HG2 VAL 32 2HG2 VAL 32 7.473 -1.231 4.104 279 3HG2 VAL 32 3HG2 VAL 32 8.891 -2.209 4.496 280 H LYS 33 H LYS 33 7.286 -6.513 4.739 281 HA LYS 33 HA LYS 33 9.410 -6.502 6.796 282 1HB LYS 33 1HB LYS 33 7.061 -7.009 7.296 283 2HB LYS 33 2HB LYS 33 7.083 -8.354 6.147 284 1HG LYS 33 1HG LYS 33 8.685 -9.567 7.585 285 2HG LYS 33 2HG LYS 33 8.685 -8.195 8.729 286 1HD LYS 33 1HD LYS 33 6.239 -8.463 9.048 287 2HD LYS 33 2HD LYS 33 6.206 -9.726 7.824 288 1HE LYS 33 1HE LYS 33 6.118 -10.806 9.968 289 2HE LYS 33 2HE LYS 33 7.687 -11.153 9.242 290 1HZ LYS 33 1HZ LYS 33 7.885 -10.533 11.591 291 2HZ LYS 33 2HZ LYS 33 8.654 -9.422 10.675 292 3HZ LYS 33 3HZ LYS 33 7.192 -9.084 11.322 293 H ASP 34 H ASP 34 8.727 -8.024 3.781 294 HA ASP 34 HA ASP 34 10.560 -10.286 3.955 295 1HB ASP 34 1HB ASP 34 8.602 -9.203 2.084 296 2HB ASP 34 2HB ASP 34 10.070 -9.502 1.224 297 H THR 35 H THR 35 10.594 -7.242 2.126 298 HA THR 35 HA THR 35 13.608 -7.226 2.058 299 HB THR 35 HB THR 35 13.545 -6.508 -0.254 300 HG1 THR 35 1HG THR 35 10.772 -7.117 -0.209 301 1HG2 THR 35 1HG2 THR 35 12.942 -8.541 -1.385 302 2HG2 THR 35 2HG2 THR 35 13.736 -8.934 0.152 303 3HG2 THR 35 3HG2 THR 35 11.973 -9.094 -0.009 304 H GLY 36 H GLY 36 10.628 -5.438 2.354 305 1HA GLY 36 1HA GLY 36 10.348 -3.321 3.211 306 2HA GLY 36 2HA GLY 36 12.062 -2.991 3.096 307 H ASN 37 H ASN 37 11.529 -4.103 0.125 308 HA ASN 37 HA ASN 37 11.724 -1.437 -1.023 309 1HB ASN 37 1HB ASN 37 11.409 -4.192 -2.284 310 2HB ASN 37 2HB ASN 37 11.770 -2.724 -3.176 311 1HD2 ASN 37 2HD2 ASN 37 13.935 -1.629 -2.788 312 2HD2 ASN 37 1HD2 ASN 37 15.186 -2.633 -2.076 313 H ASP 38 H ASP 38 10.277 -0.248 -2.268 314 HA ASP 38 HA ASP 38 7.458 -0.637 -2.026 315 1HB ASP 38 1HB ASP 38 9.136 0.989 -3.961 316 2HB ASP 38 2HB ASP 38 7.368 0.994 -3.997 317 HA PRO 39 HA PRO 39 6.743 -4.020 -4.842 318 1HB PRO 39 1HB PRO 39 4.249 -2.515 -5.614 319 2HB PRO 39 2HB PRO 39 4.428 -4.249 -5.188 320 1HG PRO 39 1HG PRO 39 3.471 -2.504 -3.370 321 2HG PRO 39 2HG PRO 39 4.706 -3.712 -2.873 322 1HD PRO 39 1HD PRO 39 5.082 -0.785 -3.511 323 2HD PRO 39 2HD PRO 39 5.780 -1.776 -2.196 324 H ILE 40 H ILE 40 7.044 -0.864 -6.215 325 HA ILE 40 HA ILE 40 7.032 -1.931 -9.032 326 HB ILE 40 HB ILE 40 5.662 0.531 -7.926 327 1HG1 ILE 40 1HG1 ILE 40 4.488 -1.520 -9.839 328 2HG1 ILE 40 2HG1 ILE 40 4.563 -1.883 -8.119 329 1HG2 ILE 40 1HG2 ILE 40 6.800 1.311 -9.943 330 2HG2 ILE 40 2HG2 ILE 40 6.241 -0.110 -10.855 331 3HG2 ILE 40 3HG2 ILE 40 5.091 1.122 -10.301 332 1HD1 ILE 40 1HD1 ILE 40 3.176 0.564 -9.244 333 2HD1 ILE 40 2HD1 ILE 40 2.397 -0.944 -8.733 334 3HD1 ILE 40 3HD1 ILE 40 3.257 0.050 -7.539 335 H THR 41 H THR 41 8.165 0.795 -6.951 336 HA THR 41 HA THR 41 10.214 1.508 -8.947 337 HB THR 41 HB THR 41 10.822 3.285 -7.243 338 HG1 THR 41 1HG THR 41 8.268 2.576 -6.349 339 1HG2 THR 41 1HG2 THR 41 8.001 3.301 -8.412 340 2HG2 THR 41 2HG2 THR 41 8.913 4.714 -7.833 341 3HG2 THR 41 3HG2 THR 41 9.486 3.809 -9.245 342 H ASN 42 H ASN 42 9.928 -0.658 -6.330 343 HA ASN 42 HA ASN 42 11.140 -1.504 -4.770 344 1HB ASN 42 1HB ASN 42 12.887 -2.853 -5.513 345 2HB ASN 42 2HB ASN 42 11.683 -2.776 -6.772 346 1HD2 ASN 42 1HD2 ASN 42 14.773 -1.169 -5.851 347 2HD2 ASN 42 2HD2 ASN 42 15.367 -1.072 -7.513 348 H GLU 43 H GLU 43 11.260 1.287 -4.576 349 HA GLU 43 HA GLU 43 13.996 1.909 -3.638 350 1HB GLU 43 1HB GLU 43 11.436 3.413 -2.999 351 2HB GLU 43 2HB GLU 43 13.081 3.910 -2.619 352 1HG GLU 43 1HG GLU 43 13.265 3.431 -5.345 353 2HG GLU 43 2HG GLU 43 11.608 3.997 -5.199 354 HA PRO 44 HA PRO 44 13.525 -0.580 -0.031 355 1HB PRO 44 1HB PRO 44 15.601 0.255 1.550 356 2HB PRO 44 2HB PRO 44 15.809 -0.695 0.050 357 1HG PRO 44 1HG PRO 44 16.032 2.310 0.392 358 2HG PRO 44 2HG PRO 44 17.171 1.203 -0.442 359 1HD PRO 44 1HD PRO 44 15.307 2.630 -1.813 360 2HD PRO 44 2HD PRO 44 15.710 0.950 -2.287 361 H LEU 45 H LEU 45 12.222 -0.567 1.653 362 HA LEU 45 HA LEU 45 11.011 -0.076 3.438 363 1HB LEU 45 1HB LEU 45 12.669 2.439 3.781 364 2HB LEU 45 2HB LEU 45 11.272 2.044 4.756 365 HG LEU 45 HG LEU 45 12.324 -0.086 5.480 366 1HD1 LEU 45 1HD1 LEU 45 14.773 0.982 4.011 367 2HD1 LEU 45 2HD1 LEU 45 14.827 -0.276 5.269 368 3HD1 LEU 45 3HD1 LEU 45 13.972 -0.590 3.768 369 1HD2 LEU 45 1HD2 LEU 45 13.980 2.425 5.979 370 2HD2 LEU 45 2HD2 LEU 45 12.466 2.002 6.804 371 3HD2 LEU 45 3HD2 LEU 45 13.898 0.992 7.030 372 H SER 46 H SER 46 9.002 0.734 3.764 373 HA SER 46 HA SER 46 7.829 2.505 1.679 374 1HB SER 46 1HB SER 46 7.845 0.028 1.016 375 2HB SER 46 2HB SER 46 6.615 -0.193 2.252 376 HG SER 46 HG SER 46 6.521 1.378 -0.099 377 H ILE 47 H ILE 47 6.830 0.346 4.284 378 HA ILE 47 HA ILE 47 4.764 1.791 5.289 379 HB ILE 47 HB ILE 47 5.384 -0.600 5.733 380 1HG1 ILE 47 1HG1 ILE 47 4.546 -0.748 8.100 381 2HG1 ILE 47 2HG1 ILE 47 4.514 1.018 8.151 382 1HG2 ILE 47 1HG2 ILE 47 7.138 0.474 7.978 383 2HG2 ILE 47 2HG2 ILE 47 6.837 -1.221 7.563 384 3HG2 ILE 47 3HG2 ILE 47 7.748 -0.196 6.452 385 1HD1 ILE 47 1HD1 ILE 47 3.015 -0.753 6.156 386 2HD1 ILE 47 2HD1 ILE 47 2.303 0.039 7.578 387 3HD1 ILE 47 3HD1 ILE 47 2.920 1.016 6.239 388 H GLU 48 H GLU 48 8.062 2.417 5.995 389 HA GLU 48 HA GLU 48 7.600 4.283 8.188 390 1HB GLU 48 1HB GLU 48 10.010 3.783 6.399 391 2HB GLU 48 2HB GLU 48 10.003 4.927 7.734 392 1HG GLU 48 1HG GLU 48 9.575 1.916 7.970 393 2HG GLU 48 2HG GLU 48 11.035 2.804 8.386 394 H GLU 49 H GLU 49 6.824 4.380 4.969 395 HA GLU 49 HA GLU 49 6.733 7.373 4.954 396 1HB GLU 49 1HB GLU 49 8.517 6.108 3.406 397 2HB GLU 49 2HB GLU 49 7.110 5.829 2.389 398 1HG GLU 49 1HG GLU 49 8.178 7.789 1.571 399 2HG GLU 49 2HG GLU 49 6.736 8.356 2.398 400 H ILE 50 H ILE 50 4.891 4.882 5.382 401 HA ILE 50 HA ILE 50 3.045 4.684 3.374 402 HB ILE 50 HB ILE 50 3.462 3.241 5.405 403 1HG1 ILE 50 1HG1 ILE 50 1.119 2.349 5.546 404 2HG1 ILE 50 2HG1 ILE 50 0.611 3.676 4.503 405 1HG2 ILE 50 1HG2 ILE 50 2.167 3.482 7.409 406 2HG2 ILE 50 2HG2 ILE 50 3.044 4.995 7.149 407 3HG2 ILE 50 3HG2 ILE 50 1.309 4.898 6.769 408 1HD1 ILE 50 1HD1 ILE 50 2.828 1.688 3.803 409 2HD1 ILE 50 2HD1 ILE 50 1.142 1.478 3.329 410 3HD1 ILE 50 3HD1 ILE 50 2.064 2.847 2.698 411 H VAL 51 H VAL 51 1.195 5.363 2.844 412 HA VAL 51 HA VAL 51 -0.258 7.587 4.258 413 HB VAL 51 HB VAL 51 -0.117 7.140 1.258 414 1HG1 VAL 51 1HG1 VAL 51 -2.320 8.031 1.949 415 2HG1 VAL 51 2HG1 VAL 51 -1.517 9.312 2.886 416 3HG1 VAL 51 3HG1 VAL 51 -1.379 9.268 1.116 417 1HG2 VAL 51 1HG2 VAL 51 1.038 9.379 2.973 418 2HG2 VAL 51 2HG2 VAL 51 1.967 8.153 2.083 419 3HG2 VAL 51 3HG2 VAL 51 1.012 9.340 1.196 420 H GLU 52 H GLU 52 -1.845 6.487 5.349 421 HA GLU 52 HA GLU 52 -3.268 4.245 4.028 422 1HB GLU 52 1HB GLU 52 -2.511 3.932 6.309 423 2HB GLU 52 2HB GLU 52 -3.434 5.348 6.852 424 1HG GLU 52 1HG GLU 52 -5.543 4.206 6.235 425 2HG GLU 52 2HG GLU 52 -4.634 2.825 5.611 426 H ILE 53 H ILE 53 -5.094 4.392 2.999 427 HA ILE 53 HA ILE 53 -6.751 6.859 3.030 428 HB ILE 53 HB ILE 53 -6.699 4.383 1.255 429 1HG1 ILE 53 1HG1 ILE 53 -6.362 6.112 -0.569 430 2HG1 ILE 53 2HG1 ILE 53 -6.099 7.320 0.682 431 1HG2 ILE 53 1HG2 ILE 53 -8.655 6.711 1.133 432 2HG2 ILE 53 2HG2 ILE 53 -8.457 5.472 -0.121 433 3HG2 ILE 53 3HG2 ILE 53 -9.043 5.000 1.457 434 1HD1 ILE 53 1HD1 ILE 53 -4.043 6.356 -0.418 435 2HD1 ILE 53 2HD1 ILE 53 -4.027 6.230 1.339 436 3HD1 ILE 53 3HD1 ILE 53 -4.409 4.796 0.348 437 H VAL 54 H VAL 54 -9.000 6.726 3.549 438 HA VAL 54 HA VAL 54 -9.654 5.162 5.821 439 HB VAL 54 HB VAL 54 -12.018 5.908 5.452 440 1HG1 VAL 54 1HG1 VAL 54 -11.532 8.242 6.004 441 2HG1 VAL 54 2HG1 VAL 54 -10.394 7.161 6.823 442 3HG1 VAL 54 3HG1 VAL 54 -9.874 8.074 5.391 443 1HG2 VAL 54 1HG2 VAL 54 -12.029 6.180 2.978 444 2HG2 VAL 54 2HG2 VAL 54 -12.486 7.661 3.820 445 3HG2 VAL 54 3HG2 VAL 54 -10.863 7.515 3.121 446 HA PRO 55 HA PRO 55 -10.896 1.354 3.810 447 1HB PRO 55 1HB PRO 55 -11.704 -0.117 5.948 448 2HB PRO 55 2HB PRO 55 -9.994 0.363 5.716 449 1HG PRO 55 1HG PRO 55 -12.094 1.745 7.431 450 2HG PRO 55 2HG PRO 55 -10.443 1.238 7.907 451 1HD PRO 55 1HD PRO 55 -11.005 3.786 7.098 452 2HD PRO 55 2HD PRO 55 -9.446 2.994 6.701 453 H SER 56 H SER 56 -13.102 3.472 5.354 454 HA SER 56 HA SER 56 -15.390 3.651 5.539 455 1HB SER 56 1HB SER 56 -15.046 2.969 2.597 456 2HB SER 56 2HB SER 56 -16.469 3.751 3.316 457 HG SER 56 HG SER 56 -14.985 5.279 2.461 Start of MODEL 6 1 H MET 1 H MET 1 -6.333 2.331 -7.550 2 HA MET 1 HA MET 1 -7.640 1.251 -5.716 3 1HB MET 1 1HB MET 1 -8.728 0.835 -8.533 4 2HB MET 1 2HB MET 1 -9.701 0.656 -7.069 5 1HG MET 1 1HG MET 1 -8.270 3.213 -7.886 6 2HG MET 1 2HG MET 1 -9.971 2.861 -8.162 7 1HE MET 1 1HE MET 1 -8.832 5.491 -6.708 8 2HE MET 1 2HE MET 1 -10.551 5.200 -7.055 9 3HE MET 1 3HE MET 1 -10.038 5.674 -5.419 10 H LEU 2 H LEU 2 -5.864 -0.858 -7.576 11 HA LEU 2 HA LEU 2 -6.633 -3.087 -5.823 12 1HB LEU 2 1HB LEU 2 -6.630 -4.775 -7.547 13 2HB LEU 2 2HB LEU 2 -7.832 -3.553 -7.885 14 HG LEU 2 HG LEU 2 -5.873 -2.525 -9.434 15 1HD1 LEU 2 1HD1 LEU 2 -4.185 -4.284 -8.853 16 2HD1 LEU 2 2HD1 LEU 2 -5.301 -5.528 -9.453 17 3HD1 LEU 2 3HD1 LEU 2 -4.621 -4.320 -10.561 18 1HD2 LEU 2 1HD2 LEU 2 -8.102 -3.218 -10.207 19 2HD2 LEU 2 2HD2 LEU 2 -6.848 -3.757 -11.329 20 3HD2 LEU 2 3HD2 LEU 2 -7.591 -4.917 -10.203 21 H CYS 3 H CYS 3 -5.019 -4.385 -5.083 22 HA CYS 3 HA CYS 3 -2.754 -2.980 -4.692 23 1HB CYS 3 1HB CYS 3 -2.960 -5.981 -4.214 24 2HB CYS 3 2HB CYS 3 -2.179 -4.818 -3.237 25 HG CYS 3 HG CYS 3 -4.436 -6.310 -2.664 26 H ALA 4 H ALA 4 -0.689 -2.930 -5.119 27 HA ALA 4 HA ALA 4 0.211 -4.054 -7.692 28 1HB ALA 4 1HB ALA 4 1.968 -2.725 -5.628 29 2HB ALA 4 2HB ALA 4 2.269 -2.936 -7.345 30 3HB ALA 4 3HB ALA 4 0.987 -1.825 -6.827 31 H ILE 5 H ILE 5 0.140 -5.199 -4.430 32 HA ILE 5 HA ILE 5 2.424 -7.032 -4.723 33 HB ILE 5 HB ILE 5 0.453 -6.499 -2.488 34 1HG1 ILE 5 1HG1 ILE 5 2.886 -6.106 -1.390 35 2HG1 ILE 5 2HG1 ILE 5 3.317 -5.741 -3.053 36 1HG2 ILE 5 1HG2 ILE 5 1.951 -8.120 -1.163 37 2HG2 ILE 5 2HG2 ILE 5 1.033 -8.929 -2.419 38 3HG2 ILE 5 3HG2 ILE 5 2.750 -8.546 -2.682 39 1HD1 ILE 5 1HD1 ILE 5 2.668 -3.745 -1.726 40 2HD1 ILE 5 2HD1 ILE 5 1.554 -3.978 -3.081 41 3HD1 ILE 5 3HD1 ILE 5 1.075 -4.445 -1.428 42 H SER 6 H SER 6 -1.111 -7.576 -4.138 43 HA SER 6 HA SER 6 -0.876 -10.024 -5.823 44 1HB SER 6 1HB SER 6 -2.642 -9.896 -3.409 45 2HB SER 6 2HB SER 6 -2.361 -11.270 -4.474 46 HG SER 6 HG SER 6 -1.076 -11.460 -2.626 47 H GLY 7 H GLY 7 -2.455 -7.087 -5.853 48 1HA GLY 7 1HA GLY 7 -3.867 -6.381 -7.570 49 2HA GLY 7 2HA GLY 7 -3.840 -8.040 -8.157 50 H LYS 8 H LYS 8 -4.714 -7.715 -5.021 51 HA LYS 8 HA LYS 8 -7.462 -8.690 -5.329 52 1HB LYS 8 1HB LYS 8 -5.824 -9.612 -3.754 53 2HB LYS 8 2HB LYS 8 -5.538 -8.023 -3.048 54 1HG LYS 8 1HG LYS 8 -7.852 -8.044 -2.156 55 2HG LYS 8 2HG LYS 8 -8.135 -9.638 -2.890 56 1HD LYS 8 1HD LYS 8 -6.281 -10.544 -1.499 57 2HD LYS 8 2HD LYS 8 -6.033 -8.942 -0.780 58 1HE LYS 8 1HE LYS 8 -8.612 -10.585 -0.627 59 2HE LYS 8 2HE LYS 8 -7.409 -10.462 0.664 60 1HZ LYS 8 1HZ LYS 8 -8.951 -8.142 -0.399 61 2HZ LYS 8 2HZ LYS 8 -9.234 -8.902 1.023 62 3HZ LYS 8 3HZ LYS 8 -7.832 -8.078 0.784 63 H VAL 9 H VAL 9 -9.247 -7.715 -4.106 64 HA VAL 9 HA VAL 9 -9.423 -4.788 -4.278 65 HB VAL 9 HB VAL 9 -11.357 -6.019 -4.874 66 1HG1 VAL 9 1HG1 VAL 9 -12.756 -7.311 -3.401 67 2HG1 VAL 9 2HG1 VAL 9 -11.155 -8.054 -3.443 68 3HG1 VAL 9 3HG1 VAL 9 -11.653 -7.084 -2.039 69 1HG2 VAL 9 1HG2 VAL 9 -11.623 -3.799 -3.837 70 2HG2 VAL 9 2HG2 VAL 9 -13.024 -4.844 -3.549 71 3HG2 VAL 9 3HG2 VAL 9 -11.851 -4.566 -2.246 72 HA PRO 10 HA PRO 10 -7.203 -4.866 -0.424 73 1HB PRO 10 1HB PRO 10 -6.964 -2.192 0.130 74 2HB PRO 10 2HB PRO 10 -6.035 -3.042 -1.137 75 1HG PRO 10 1HG PRO 10 -8.577 -1.422 -1.476 76 2HG PRO 10 2HG PRO 10 -7.066 -1.337 -2.440 77 1HD PRO 10 1HD PRO 10 -9.213 -2.777 -3.275 78 2HD PRO 10 2HD PRO 10 -7.543 -3.366 -3.541 79 H ARG 11 H ARG 11 -8.107 -5.599 1.344 80 HA ARG 11 HA ARG 11 -10.569 -4.750 2.599 81 1HB ARG 11 1HB ARG 11 -9.378 -6.967 2.888 82 2HB ARG 11 2HB ARG 11 -8.179 -6.142 3.892 83 1HG ARG 11 1HG ARG 11 -10.012 -5.467 5.462 84 2HG ARG 11 2HG ARG 11 -11.177 -6.331 4.457 85 1HD ARG 11 1HD ARG 11 -8.792 -7.535 5.930 86 2HD ARG 11 2HD ARG 11 -10.461 -7.627 6.466 87 HE ARG 11 HE ARG 11 -9.157 -9.285 4.469 88 1HH1 ARG 11 1HH2 ARG 11 -12.352 -8.155 5.376 89 2HH1 ARG 11 2HH2 ARG 11 -13.134 -9.501 4.589 90 1HH2 ARG 11 2HH1 ARG 11 -10.210 -10.977 3.541 91 2HH2 ARG 11 1HH1 ARG 11 -11.948 -11.039 3.580 92 H ARG 12 H ARG 12 -7.200 -3.788 3.075 93 HA ARG 12 HA ARG 12 -8.172 -1.259 4.407 94 1HB ARG 12 1HB ARG 12 -5.725 -2.891 5.137 95 2HB ARG 12 2HB ARG 12 -6.068 -1.271 5.750 96 1HG ARG 12 1HG ARG 12 -7.811 -3.743 6.213 97 2HG ARG 12 2HG ARG 12 -6.651 -3.068 7.354 98 1HD ARG 12 1HD ARG 12 -7.916 -0.971 7.489 99 2HD ARG 12 2HD ARG 12 -9.075 -1.549 6.295 100 HE ARG 12 HE ARG 12 -8.811 -2.451 9.108 101 1HH1 ARG 12 2HH2 ARG 12 -10.587 -2.915 6.087 102 2HH1 ARG 12 1HH2 ARG 12 -11.949 -3.593 6.943 103 1HH2 ARG 12 2HH1 ARG 12 -10.543 -3.394 10.060 104 2HH2 ARG 12 1HH1 ARG 12 -11.905 -3.895 9.100 105 HA PRO 13 HA PRO 13 -6.045 -0.137 0.509 106 1HB PRO 13 1HB PRO 13 -7.199 2.393 0.261 107 2HB PRO 13 2HB PRO 13 -7.855 0.866 -0.393 108 1HG PRO 13 1HG PRO 13 -8.537 2.181 2.260 109 2HG PRO 13 2HG PRO 13 -9.660 1.540 1.009 110 1HD PRO 13 1HD PRO 13 -9.121 -0.030 3.075 111 2HD PRO 13 2HD PRO 13 -8.908 -0.712 1.416 112 H VAL 14 H VAL 14 -4.184 0.485 0.496 113 HA VAL 14 HA VAL 14 -3.050 2.708 2.173 114 HB VAL 14 HB VAL 14 -2.505 -0.233 2.199 115 1HG1 VAL 14 1HG1 VAL 14 -0.240 -0.046 2.988 116 2HG1 VAL 14 2HG1 VAL 14 -0.363 0.504 1.332 117 3HG1 VAL 14 3HG1 VAL 14 -0.226 1.710 2.616 118 1HG2 VAL 14 1HG2 VAL 14 -2.116 1.980 4.233 119 2HG2 VAL 14 2HG2 VAL 14 -3.560 0.940 4.101 120 3HG2 VAL 14 3HG2 VAL 14 -1.989 0.261 4.558 121 H LEU 15 H LEU 15 -1.395 3.842 1.319 122 HA LEU 15 HA LEU 15 -0.477 3.211 -1.457 123 1HB LEU 15 1HB LEU 15 -2.277 4.760 -1.552 124 2HB LEU 15 2HB LEU 15 -1.621 5.786 -0.294 125 HG LEU 15 HG LEU 15 -0.007 5.420 -2.827 126 1HD1 LEU 15 1HD1 LEU 15 -1.265 7.271 -3.889 127 2HD1 LEU 15 2HD1 LEU 15 -2.284 5.848 -3.654 128 3HD1 LEU 15 3HD1 LEU 15 -2.442 7.237 -2.558 129 1HD2 LEU 15 1HD2 LEU 15 0.620 7.745 -2.427 130 2HD2 LEU 15 2HD2 LEU 15 -0.577 7.890 -1.123 131 3HD2 LEU 15 3HD2 LEU 15 0.844 6.862 -0.913 132 H SER 16 H SER 16 1.547 4.178 -2.025 133 HA SER 16 HA SER 16 3.235 5.322 0.136 134 1HB SER 16 1HB SER 16 4.095 3.139 0.028 135 2HB SER 16 2HB SER 16 4.003 3.096 -1.734 136 HG SER 16 HG SER 16 6.107 3.481 -1.091 137 HA PRO 17 HA PRO 17 3.197 8.589 -2.876 138 1HB PRO 17 1HB PRO 17 5.877 9.286 -1.664 139 2HB PRO 17 2HB PRO 17 4.495 10.367 -2.042 140 1HG PRO 17 1HG PRO 17 4.908 9.546 0.497 141 2HG PRO 17 2HG PRO 17 3.247 9.544 -0.182 142 1HD PRO 17 1HD PRO 17 5.145 7.216 0.146 143 2HD PRO 17 2HD PRO 17 3.393 7.322 0.484 144 H LYS 18 H LYS 18 5.691 6.235 -2.869 145 HA LYS 18 HA LYS 18 7.231 7.300 -5.182 146 1HB LYS 18 1HB LYS 18 7.433 4.824 -3.436 147 2HB LYS 18 2HB LYS 18 8.432 5.040 -4.863 148 1HG LYS 18 1HG LYS 18 9.648 6.808 -3.988 149 2HG LYS 18 2HG LYS 18 8.363 7.348 -2.911 150 1HD LYS 18 1HD LYS 18 9.942 4.795 -2.467 151 2HD LYS 18 2HD LYS 18 10.352 6.357 -1.734 152 1HE LYS 18 1HE LYS 18 8.207 6.482 -0.593 153 2HE LYS 18 2HE LYS 18 7.635 5.029 -1.426 154 1HZ LYS 18 1HZ LYS 18 9.391 3.777 -0.342 155 2HZ LYS 18 2HZ LYS 18 9.834 5.116 0.549 156 3HZ LYS 18 3HZ LYS 18 8.359 4.429 0.742 157 H SER 19 H SER 19 5.097 4.515 -4.493 158 HA SER 19 HA SER 19 4.918 3.702 -7.289 159 1HB SER 19 1HB SER 19 3.448 2.005 -6.438 160 2HB SER 19 2HB SER 19 4.834 2.145 -5.333 161 HG SER 19 HG SER 19 2.295 2.261 -4.734 162 H ARG 20 H ARG 20 2.985 5.500 -4.991 163 HA ARG 20 HA ARG 20 1.004 6.493 -4.908 164 1HB ARG 20 1HB ARG 20 0.366 8.110 -6.490 165 2HB ARG 20 2HB ARG 20 2.103 8.162 -6.272 166 1HG ARG 20 1HG ARG 20 2.501 7.124 -8.418 167 2HG ARG 20 2HG ARG 20 0.780 6.766 -8.649 168 1HD ARG 20 1HD ARG 20 1.965 9.562 -8.419 169 2HD ARG 20 2HD ARG 20 1.638 8.728 -9.946 170 HE ARG 20 HE ARG 20 -0.781 8.671 -8.515 171 1HH1 ARG 20 2HH2 ARG 20 1.219 11.184 -9.905 172 2HH1 ARG 20 1HH2 ARG 20 -0.140 12.251 -10.149 173 1HH2 ARG 20 2HH1 ARG 20 -2.460 10.069 -8.840 174 2HH2 ARG 20 1HH1 ARG 20 -2.159 11.627 -9.556 175 H THR 21 H THR 21 1.110 3.669 -6.084 176 HA THR 21 HA THR 21 -1.533 3.207 -7.216 177 HB THR 21 HB THR 21 -0.842 0.841 -6.821 178 HG1 THR 21 1HG THR 21 1.184 0.430 -6.029 179 1HG2 THR 21 1HG2 THR 21 1.478 2.350 -8.072 180 2HG2 THR 21 2HG2 THR 21 0.965 0.689 -8.397 181 3HG2 THR 21 3HG2 THR 21 -0.060 2.038 -8.918 182 H ILE 22 H ILE 22 -2.904 1.433 -5.910 183 HA ILE 22 HA ILE 22 -2.758 1.957 -2.981 184 HB ILE 22 HB ILE 22 -5.296 1.651 -4.566 185 1HG1 ILE 22 1HG1 ILE 22 -4.247 4.084 -3.042 186 2HG1 ILE 22 2HG1 ILE 22 -4.238 3.921 -4.796 187 1HG2 ILE 22 1HG2 ILE 22 -6.427 1.984 -2.387 188 2HG2 ILE 22 2HG2 ILE 22 -5.385 0.576 -2.316 189 3HG2 ILE 22 3HG2 ILE 22 -4.847 2.098 -1.579 190 1HD1 ILE 22 1HD1 ILE 22 -6.100 5.289 -4.210 191 2HD1 ILE 22 2HD1 ILE 22 -6.718 3.737 -4.806 192 3HD1 ILE 22 3HD1 ILE 22 -6.719 4.095 -3.060 193 H PHE 23 H PHE 23 -2.199 0.250 -2.041 194 HA PHE 23 HA PHE 23 -3.087 -2.458 -2.899 195 1HB PHE 23 1HB PHE 23 -0.876 -3.097 -1.487 196 2HB PHE 23 2HB PHE 23 -0.897 -2.956 -3.232 197 HD1 PHE 23 1HD PHE 23 0.806 -1.716 -4.188 198 HD2 PHE 23 2HD PHE 23 -0.357 -0.969 -0.199 199 HE1 PHE 23 1HE PHE 23 2.490 0.101 -4.112 200 HE2 PHE 23 2HE PHE 23 1.264 1.036 -0.106 201 HZ PHE 23 HZ PHE 23 2.686 1.501 -2.076 202 H GLU 24 H GLU 24 -2.784 -4.028 -1.057 203 HA GLU 24 HA GLU 24 -4.566 -2.982 0.959 204 1HB GLU 24 1HB GLU 24 -4.478 -5.409 0.093 205 2HB GLU 24 2HB GLU 24 -3.225 -5.600 1.355 206 1HG GLU 24 1HG GLU 24 -4.771 -5.026 3.096 207 2HG GLU 24 2HG GLU 24 -5.984 -4.510 1.919 208 H LYS 25 H LYS 25 -3.946 -2.592 3.290 209 HA LYS 25 HA LYS 25 -1.322 -1.866 4.056 210 1HB LYS 25 1HB LYS 25 -3.468 -1.372 5.334 211 2HB LYS 25 2HB LYS 25 -3.500 -3.065 5.830 212 1HG LYS 25 1HG LYS 25 -1.156 -2.692 6.850 213 2HG LYS 25 2HG LYS 25 -1.383 -0.982 6.500 214 1HD LYS 25 1HD LYS 25 -2.052 -1.196 8.755 215 2HD LYS 25 2HD LYS 25 -3.567 -1.146 7.860 216 1HE LYS 25 1HE LYS 25 -3.922 -2.904 9.349 217 2HE LYS 25 2HE LYS 25 -3.449 -3.760 7.884 218 1HZ LYS 25 1HZ LYS 25 -1.168 -3.957 8.860 219 2HZ LYS 25 2HZ LYS 25 -1.658 -3.138 10.183 220 3HZ LYS 25 3HZ LYS 25 -2.282 -4.604 9.849 221 H SER 26 H SER 26 -3.114 -4.910 4.496 222 HA SER 26 HA SER 26 -0.999 -6.197 5.813 223 1HB SER 26 1HB SER 26 -3.333 -7.514 4.399 224 2HB SER 26 2HB SER 26 -2.322 -8.247 5.656 225 HG SER 26 HG SER 26 -4.267 -7.355 6.514 226 H LEU 27 H LEU 27 -1.762 -6.112 2.351 227 HA LEU 27 HA LEU 27 0.116 -8.207 1.600 228 1HB LEU 27 1HB LEU 27 -1.044 -5.961 -0.109 229 2HB LEU 27 2HB LEU 27 -0.143 -7.374 -0.624 230 HG LEU 27 HG LEU 27 -3.010 -7.243 0.186 231 1HD1 LEU 27 1HD1 LEU 27 -1.537 -8.499 -2.075 232 2HD1 LEU 27 2HD1 LEU 27 -3.314 -8.370 -1.889 233 3HD1 LEU 27 3HD1 LEU 27 -2.321 -6.905 -2.090 234 1HD2 LEU 27 1HD2 LEU 27 -1.403 -9.790 0.169 235 2HD2 LEU 27 2HD2 LEU 27 -2.268 -9.052 1.553 236 3HD2 LEU 27 3HD2 LEU 27 -3.187 -9.648 0.178 237 H LEU 28 H LEU 28 0.251 -4.626 1.782 238 HA LEU 28 HA LEU 28 2.935 -4.405 0.724 239 1HB LEU 28 1HB LEU 28 1.376 -2.468 0.830 240 2HB LEU 28 2HB LEU 28 1.478 -2.508 2.592 241 HG LEU 28 HG LEU 28 4.061 -2.220 2.290 242 1HD1 LEU 28 1HD1 LEU 28 4.252 -2.784 -0.082 243 2HD1 LEU 28 2HD1 LEU 28 3.151 -1.458 -0.512 244 3HD1 LEU 28 3HD1 LEU 28 4.742 -1.111 0.186 245 1HD2 LEU 28 1HD2 LEU 28 2.701 -0.474 3.155 246 2HD2 LEU 28 2HD2 LEU 28 3.843 0.213 1.994 247 3HD2 LEU 28 3HD2 LEU 28 2.144 -0.023 1.539 248 H GLU 29 H GLU 29 1.535 -4.612 4.015 249 HA GLU 29 HA GLU 29 3.836 -4.394 5.611 250 1HB GLU 29 1HB GLU 29 1.523 -4.364 6.393 251 2HB GLU 29 2HB GLU 29 1.385 -6.108 6.106 252 1HG GLU 29 1HG GLU 29 3.174 -6.483 7.792 253 2HG GLU 29 2HG GLU 29 3.275 -4.739 8.061 254 H GLN 30 H GLN 30 2.534 -7.268 3.966 255 HA GLN 30 HA GLN 30 4.483 -9.164 4.924 256 1HB GLN 30 1HB GLN 30 2.269 -9.595 3.689 257 2HB GLN 30 2HB GLN 30 3.123 -9.229 2.196 258 1HG GLN 30 1HG GLN 30 4.756 -11.051 2.678 259 2HG GLN 30 2HG GLN 30 3.912 -11.403 4.187 260 1HE2 GLN 30 1HE2 GLN 30 3.693 -11.629 0.624 261 2HE2 GLN 30 2HE2 GLN 30 2.325 -12.736 0.654 262 H TYR 31 H TYR 31 4.413 -7.089 2.013 263 HA TYR 31 HA TYR 31 6.850 -8.168 0.868 264 1HB TYR 31 1HB TYR 31 4.960 -7.154 -0.395 265 2HB TYR 31 2HB TYR 31 5.341 -5.588 0.300 266 HD1 TYR 31 1HD TYR 31 7.162 -8.374 -1.458 267 HD2 TYR 31 2HD TYR 31 6.520 -4.143 -1.111 268 HE1 TYR 31 1HE TYR 31 8.614 -7.966 -3.491 269 HE2 TYR 31 2HE TYR 31 8.112 -3.769 -3.003 270 HH TYR 31 HH TYR 31 9.607 -6.423 -4.821 271 H VAL 32 H VAL 32 6.087 -5.389 2.849 272 HA VAL 32 HA VAL 32 8.734 -4.321 2.668 273 HB VAL 32 HB VAL 32 6.495 -3.091 2.852 274 1HG1 VAL 32 1HG1 VAL 32 6.943 -3.226 5.863 275 2HG1 VAL 32 2HG1 VAL 32 5.547 -2.577 4.966 276 3HG1 VAL 32 3HG1 VAL 32 5.859 -4.315 4.998 277 1HG2 VAL 32 1HG2 VAL 32 7.372 -1.157 4.152 278 2HG2 VAL 32 2HG2 VAL 32 8.788 -2.108 4.608 279 3HG2 VAL 32 3HG2 VAL 32 8.457 -1.726 2.891 280 H LYS 33 H LYS 33 7.311 -6.546 4.779 281 HA LYS 33 HA LYS 33 9.634 -6.412 6.680 282 1HB LYS 33 1HB LYS 33 8.541 -7.721 8.199 283 2HB LYS 33 2HB LYS 33 7.273 -6.679 7.561 284 1HG LYS 33 1HG LYS 33 6.648 -8.639 6.017 285 2HG LYS 33 2HG LYS 33 7.754 -9.635 6.952 286 1HD LYS 33 1HD LYS 33 5.338 -8.129 8.052 287 2HD LYS 33 2HD LYS 33 5.386 -9.852 7.665 288 1HE LYS 33 1HE LYS 33 7.189 -10.181 9.351 289 2HE LYS 33 2HE LYS 33 7.119 -8.462 9.757 290 1HZ LYS 33 1HZ LYS 33 5.800 -9.779 11.300 291 2HZ LYS 33 2HZ LYS 33 4.811 -8.782 10.467 292 3HZ LYS 33 3HZ LYS 33 4.874 -10.376 10.096 293 H ASP 34 H ASP 34 8.722 -7.946 3.842 294 HA ASP 34 HA ASP 34 10.527 -10.257 3.968 295 1HB ASP 34 1HB ASP 34 8.599 -9.112 2.086 296 2HB ASP 34 2HB ASP 34 10.081 -9.427 1.256 297 H THR 35 H THR 35 10.580 -7.164 2.191 298 HA THR 35 HA THR 35 13.600 -7.151 2.199 299 HB THR 35 HB THR 35 13.555 -6.240 -0.071 300 HG1 THR 35 1HG THR 35 10.819 -6.952 -0.126 301 1HG2 THR 35 1HG2 THR 35 12.053 -8.886 0.018 302 2HG2 THR 35 2HG2 THR 35 12.987 -8.226 -1.341 303 3HG2 THR 35 3HG2 THR 35 13.814 -8.688 0.160 304 H GLY 36 H GLY 36 10.619 -5.386 2.480 305 1HA GLY 36 1HA GLY 36 10.340 -3.244 3.400 306 2HA GLY 36 2HA GLY 36 12.033 -2.877 3.168 307 H ASN 37 H ASN 37 11.342 -4.177 0.250 308 HA ASN 37 HA ASN 37 11.573 -1.667 -1.016 309 1HB ASN 37 1HB ASN 37 10.753 -4.415 -2.028 310 2HB ASN 37 2HB ASN 37 11.088 -3.066 -3.089 311 1HD2 ASN 37 1HD2 ASN 37 12.533 -5.367 -3.416 312 2HD2 ASN 37 2HD2 ASN 37 14.185 -5.050 -2.904 313 H ASP 38 H ASP 38 10.232 -0.416 -2.294 314 HA ASP 38 HA ASP 38 7.319 -0.537 -2.001 315 1HB ASP 38 1HB ASP 38 9.192 1.146 -3.717 316 2HB ASP 38 2HB ASP 38 7.435 1.262 -3.813 317 HA PRO 39 HA PRO 39 7.032 -3.779 -5.027 318 1HB PRO 39 1HB PRO 39 4.372 -3.763 -5.682 319 2HB PRO 39 2HB PRO 39 5.006 -4.245 -4.079 320 1HG PRO 39 1HG PRO 39 3.978 -1.516 -4.915 321 2HG PRO 39 2HG PRO 39 3.461 -2.493 -3.504 322 1HD PRO 39 1HD PRO 39 5.293 -0.552 -3.210 323 2HD PRO 39 2HD PRO 39 5.528 -2.127 -2.383 324 H ILE 40 H ILE 40 6.944 -0.628 -6.121 325 HA ILE 40 HA ILE 40 6.525 -1.393 -9.010 326 HB ILE 40 HB ILE 40 5.857 1.219 -7.621 327 1HG1 ILE 40 1HG1 ILE 40 4.119 -0.413 -7.202 328 2HG1 ILE 40 2HG1 ILE 40 3.545 0.802 -8.332 329 1HG2 ILE 40 1HG2 ILE 40 4.944 1.943 -9.847 330 2HG2 ILE 40 2HG2 ILE 40 6.702 1.819 -9.792 331 3HG2 ILE 40 3HG2 ILE 40 5.757 0.546 -10.586 332 1HD1 ILE 40 1HD1 ILE 40 4.357 -2.046 -9.019 333 2HD1 ILE 40 2HD1 ILE 40 2.731 -1.345 -9.032 334 3HD1 ILE 40 3HD1 ILE 40 3.913 -0.810 -10.224 335 H THR 41 H THR 41 8.374 0.638 -6.770 336 HA THR 41 HA THR 41 10.380 1.234 -8.889 337 HB THR 41 HB THR 41 11.214 2.973 -7.269 338 HG1 THR 41 1HG THR 41 8.653 2.503 -6.235 339 1HG2 THR 41 1HG2 THR 41 9.445 4.575 -7.819 340 2HG2 THR 41 2HG2 THR 41 9.829 3.569 -9.228 341 3HG2 THR 41 3HG2 THR 41 8.351 3.255 -8.294 342 H ASN 42 H ASN 42 9.980 -0.838 -6.259 343 HA ASN 42 HA ASN 42 11.143 -1.893 -4.787 344 1HB ASN 42 1HB ASN 42 12.455 -3.466 -5.532 345 2HB ASN 42 2HB ASN 42 11.921 -2.880 -7.095 346 1HD2 ASN 42 1HD2 ASN 42 13.689 -0.634 -7.448 347 2HD2 ASN 42 2HD2 ASN 42 15.317 -1.308 -7.532 348 H GLU 43 H GLU 43 11.462 0.988 -4.637 349 HA GLU 43 HA GLU 43 14.090 1.602 -3.612 350 1HB GLU 43 1HB GLU 43 11.347 2.841 -3.238 351 2HB GLU 43 2HB GLU 43 12.822 3.553 -2.581 352 1HG GLU 43 1HG GLU 43 12.903 2.860 -5.507 353 2HG GLU 43 2HG GLU 43 11.748 4.076 -5.041 354 HA PRO 44 HA PRO 44 13.628 -0.769 0.105 355 1HB PRO 44 1HB PRO 44 15.729 0.119 1.629 356 2HB PRO 44 2HB PRO 44 15.914 -0.895 0.168 357 1HG PRO 44 1HG PRO 44 16.169 2.120 0.378 358 2HG PRO 44 2HG PRO 44 17.282 0.966 -0.423 359 1HD PRO 44 1HD PRO 44 15.398 2.361 -1.816 360 2HD PRO 44 2HD PRO 44 15.807 0.670 -2.242 361 H LEU 45 H LEU 45 12.204 -0.608 1.607 362 HA LEU 45 HA LEU 45 10.970 -0.091 3.374 363 1HB LEU 45 1HB LEU 45 12.755 2.291 3.831 364 2HB LEU 45 2HB LEU 45 11.316 1.980 4.783 365 HG LEU 45 HG LEU 45 13.410 -0.198 4.436 366 1HD1 LEU 45 1HD1 LEU 45 14.586 1.786 5.306 367 2HD1 LEU 45 2HD1 LEU 45 13.358 1.975 6.576 368 3HD1 LEU 45 3HD1 LEU 45 14.419 0.546 6.561 369 1HD2 LEU 45 1HD2 LEU 45 11.374 0.387 6.634 370 2HD2 LEU 45 2HD2 LEU 45 11.241 -0.888 5.399 371 3HD2 LEU 45 3HD2 LEU 45 12.525 -0.965 6.607 372 H SER 46 H SER 46 9.052 0.808 3.724 373 HA SER 46 HA SER 46 7.877 2.537 1.630 374 1HB SER 46 1HB SER 46 7.830 0.064 1.001 375 2HB SER 46 2HB SER 46 6.632 -0.123 2.275 376 HG SER 46 HG SER 46 6.486 1.515 -0.047 377 H ILE 47 H ILE 47 7.034 0.452 4.329 378 HA ILE 47 HA ILE 47 4.998 1.842 5.489 379 HB ILE 47 HB ILE 47 5.786 -0.490 5.994 380 1HG1 ILE 47 1HG1 ILE 47 5.300 -0.589 8.412 381 2HG1 ILE 47 2HG1 ILE 47 5.355 1.174 8.504 382 1HG2 ILE 47 1HG2 ILE 47 7.838 0.765 7.859 383 2HG2 ILE 47 2HG2 ILE 47 7.537 -0.957 7.586 384 3HG2 ILE 47 3HG2 ILE 47 8.223 0.021 6.291 385 1HD1 ILE 47 1HD1 ILE 47 3.456 1.334 6.977 386 2HD1 ILE 47 2HD1 ILE 47 3.486 -0.419 6.689 387 3HD1 ILE 47 3HD1 ILE 47 3.035 0.220 8.289 388 H GLU 48 H GLU 48 8.306 2.615 5.882 389 HA GLU 48 HA GLU 48 8.056 4.536 8.047 390 1HB GLU 48 1HB GLU 48 10.153 4.120 5.875 391 2HB GLU 48 2HB GLU 48 10.315 5.301 7.173 392 1HG GLU 48 1HG GLU 48 10.040 2.295 7.601 393 2HG GLU 48 2HG GLU 48 11.555 3.182 7.573 394 H GLU 49 H GLU 49 6.936 4.507 4.887 395 HA GLU 49 HA GLU 49 6.661 7.487 4.766 396 1HB GLU 49 1HB GLU 49 7.667 5.628 2.567 397 2HB GLU 49 2HB GLU 49 7.127 7.294 2.276 398 1HG GLU 49 1HG GLU 49 8.844 8.091 3.936 399 2HG GLU 49 2HG GLU 49 9.463 6.436 4.030 400 H ILE 50 H ILE 50 4.971 4.877 5.210 401 HA ILE 50 HA ILE 50 3.084 4.660 3.196 402 HB ILE 50 HB ILE 50 3.493 3.132 5.096 403 1HG1 ILE 50 1HG1 ILE 50 0.524 3.670 4.836 404 2HG1 ILE 50 2HG1 ILE 50 1.501 3.035 3.504 405 1HG2 ILE 50 1HG2 ILE 50 3.302 4.869 6.943 406 2HG2 ILE 50 2HG2 ILE 50 1.548 4.855 6.699 407 3HG2 ILE 50 3HG2 ILE 50 2.386 3.394 7.243 408 1HD1 ILE 50 1HD1 ILE 50 1.268 1.699 6.228 409 2HD1 ILE 50 2HD1 ILE 50 0.392 1.234 4.782 410 3HD1 ILE 50 3HD1 ILE 50 2.160 1.099 4.798 411 H VAL 51 H VAL 51 1.169 5.264 2.797 412 HA VAL 51 HA VAL 51 -0.248 7.487 4.240 413 HB VAL 51 HB VAL 51 -0.244 7.021 1.241 414 1HG1 VAL 51 1HG1 VAL 51 -1.568 9.120 1.146 415 2HG1 VAL 51 2HG1 VAL 51 -2.441 7.849 2.001 416 3HG1 VAL 51 3HG1 VAL 51 -1.645 9.145 2.924 417 1HG2 VAL 51 1HG2 VAL 51 0.895 9.326 2.876 418 2HG2 VAL 51 2HG2 VAL 51 1.841 8.111 1.998 419 3HG2 VAL 51 3HG2 VAL 51 0.823 9.241 1.100 420 H GLU 52 H GLU 52 -1.465 6.080 5.513 421 HA GLU 52 HA GLU 52 -2.993 3.884 4.295 422 1HB GLU 52 1HB GLU 52 -3.367 5.035 7.079 423 2HB GLU 52 2HB GLU 52 -3.870 3.453 6.464 424 1HG GLU 52 1HG GLU 52 -1.500 2.760 6.278 425 2HG GLU 52 2HG GLU 52 -0.981 4.338 6.877 426 H ILE 53 H ILE 53 -4.990 3.977 3.444 427 HA ILE 53 HA ILE 53 -6.439 6.582 3.445 428 HB ILE 53 HB ILE 53 -6.620 4.171 1.606 429 1HG1 ILE 53 1HG1 ILE 53 -5.487 6.944 1.011 430 2HG1 ILE 53 2HG1 ILE 53 -4.483 5.563 1.449 431 1HG2 ILE 53 1HG2 ILE 53 -8.018 5.632 0.149 432 2HG2 ILE 53 2HG2 ILE 53 -8.787 5.293 1.678 433 3HG2 ILE 53 3HG2 ILE 53 -8.013 6.876 1.416 434 1HD1 ILE 53 1HD1 ILE 53 -5.316 4.307 -0.518 435 2HD1 ILE 53 2HD1 ILE 53 -6.172 5.774 -1.061 436 3HD1 ILE 53 3HD1 ILE 53 -4.411 5.782 -0.914 437 H VAL 54 H VAL 54 -8.649 6.668 3.909 438 HA VAL 54 HA VAL 54 -9.650 5.079 6.046 439 HB VAL 54 HB VAL 54 -11.204 6.895 4.170 440 1HG1 VAL 54 1HG1 VAL 54 -11.852 5.838 6.972 441 2HG1 VAL 54 2HG1 VAL 54 -12.775 7.080 6.097 442 3HG1 VAL 54 3HG1 VAL 54 -12.717 5.436 5.471 443 1HG2 VAL 54 1HG2 VAL 54 -9.378 8.117 5.289 444 2HG2 VAL 54 2HG2 VAL 54 -10.930 8.567 5.992 445 3HG2 VAL 54 3HG2 VAL 54 -9.865 7.445 6.862 446 HA PRO 55 HA PRO 55 -10.699 1.498 3.524 447 1HB PRO 55 1HB PRO 55 -12.281 0.729 5.979 448 2HB PRO 55 2HB PRO 55 -11.181 -0.278 4.979 449 1HG PRO 55 1HG PRO 55 -10.310 0.737 7.327 450 2HG PRO 55 2HG PRO 55 -9.253 0.824 5.878 451 1HD PRO 55 1HD PRO 55 -11.006 3.001 7.046 452 2HD PRO 55 2HD PRO 55 -9.309 3.073 6.489 453 H SER 56 H SER 56 -13.230 3.421 5.036 454 HA SER 56 HA SER 56 -15.585 2.326 4.026 455 1HB SER 56 1HB SER 56 -14.951 5.288 4.316 456 2HB SER 56 2HB SER 56 -16.559 4.542 4.329 457 HG SER 56 HG SER 56 -15.985 3.450 6.248 Start of MODEL 7 1 H MET 1 H MET 1 -7.129 1.828 -9.363 2 HA MET 1 HA MET 1 -6.846 1.736 -6.991 3 1HB MET 1 1HB MET 1 -9.059 1.554 -6.087 4 2HB MET 1 2HB MET 1 -9.176 2.276 -7.690 5 1HG MET 1 1HG MET 1 -9.842 0.063 -8.626 6 2HG MET 1 2HG MET 1 -9.704 -0.654 -7.018 7 1HE MET 1 1HE MET 1 -12.206 -1.229 -8.588 8 2HE MET 1 2HE MET 1 -12.020 -1.691 -6.878 9 3HE MET 1 3HE MET 1 -13.504 -0.874 -7.424 10 H LEU 2 H LEU 2 -6.525 -1.157 -8.442 11 HA LEU 2 HA LEU 2 -6.819 -2.850 -5.995 12 1HB LEU 2 1HB LEU 2 -6.368 -3.703 -8.881 13 2HB LEU 2 2HB LEU 2 -6.736 -4.762 -7.523 14 HG LEU 2 HG LEU 2 -8.631 -2.672 -8.696 15 1HD1 LEU 2 1HD1 LEU 2 -8.251 -4.605 -10.183 16 2HD1 LEU 2 2HD1 LEU 2 -8.668 -5.708 -8.849 17 3HD1 LEU 2 3HD1 LEU 2 -9.893 -4.603 -9.517 18 1HD2 LEU 2 1HD2 LEU 2 -9.082 -3.042 -6.287 19 2HD2 LEU 2 2HD2 LEU 2 -10.360 -3.729 -7.296 20 3HD2 LEU 2 3HD2 LEU 2 -9.136 -4.797 -6.577 21 H CYS 3 H CYS 3 -5.260 -4.189 -5.192 22 HA CYS 3 HA CYS 3 -2.956 -2.894 -4.828 23 1HB CYS 3 1HB CYS 3 -3.235 -5.871 -4.270 24 2HB CYS 3 2HB CYS 3 -2.441 -4.669 -3.344 25 HG CYS 3 HG CYS 3 -4.724 -6.029 -2.610 26 H ALA 4 H ALA 4 -0.879 -2.880 -5.269 27 HA ALA 4 HA ALA 4 -0.014 -3.824 -7.867 28 1HB ALA 4 1HB ALA 4 0.896 -1.841 -6.779 29 2HB ALA 4 2HB ALA 4 1.811 -2.907 -5.664 30 3HB ALA 4 3HB ALA 4 2.116 -2.959 -7.398 31 H ILE 5 H ILE 5 -0.010 -5.213 -4.664 32 HA ILE 5 HA ILE 5 2.170 -7.118 -5.181 33 HB ILE 5 HB ILE 5 0.551 -6.325 -2.729 34 1HG1 ILE 5 1HG1 ILE 5 3.507 -5.954 -3.422 35 2HG1 ILE 5 2HG1 ILE 5 2.275 -4.729 -3.715 36 1HG2 ILE 5 1HG2 ILE 5 1.235 -8.743 -2.521 37 2HG2 ILE 5 2HG2 ILE 5 2.882 -8.336 -3.042 38 3HG2 ILE 5 3HG2 ILE 5 2.277 -7.768 -1.482 39 1HD1 ILE 5 1HD1 ILE 5 3.411 -4.169 -1.690 40 2HD1 ILE 5 2HD1 ILE 5 1.752 -4.657 -1.288 41 3HD1 ILE 5 3HD1 ILE 5 3.117 -5.767 -1.001 42 H SER 6 H SER 6 -1.283 -7.318 -4.342 43 HA SER 6 HA SER 6 -1.305 -10.134 -5.359 44 1HB SER 6 1HB SER 6 -1.494 -9.885 -2.855 45 2HB SER 6 2HB SER 6 -3.122 -9.235 -3.148 46 HG SER 6 HG SER 6 -3.071 -11.526 -2.781 47 H GLY 7 H GLY 7 -2.814 -7.028 -5.674 48 1HA GLY 7 1HA GLY 7 -4.243 -6.352 -7.403 49 2HA GLY 7 2HA GLY 7 -4.218 -8.019 -7.952 50 H LYS 8 H LYS 8 -5.056 -7.661 -4.794 51 HA LYS 8 HA LYS 8 -7.784 -8.686 -4.974 52 1HB LYS 8 1HB LYS 8 -6.112 -9.407 -3.352 53 2HB LYS 8 2HB LYS 8 -5.859 -7.757 -2.794 54 1HG LYS 8 1HG LYS 8 -8.103 -7.757 -1.767 55 2HG LYS 8 2HG LYS 8 -8.425 -9.384 -2.422 56 1HD LYS 8 1HD LYS 8 -6.523 -10.273 -1.106 57 2HD LYS 8 2HD LYS 8 -6.161 -8.634 -0.518 58 1HE LYS 8 1HE LYS 8 -8.476 -8.538 0.467 59 2HE LYS 8 2HE LYS 8 -8.711 -10.232 0.012 60 1HZ LYS 8 1HZ LYS 8 -7.944 -10.027 2.314 61 2HZ LYS 8 2HZ LYS 8 -6.766 -10.757 1.441 62 3HZ LYS 8 3HZ LYS 8 -6.628 -9.171 1.852 63 H VAL 9 H VAL 9 -9.590 -7.639 -3.856 64 HA VAL 9 HA VAL 9 -9.850 -4.721 -4.299 65 HB VAL 9 HB VAL 9 -11.785 -6.688 -3.009 66 1HG1 VAL 9 1HG1 VAL 9 -12.174 -4.377 -2.208 67 2HG1 VAL 9 2HG1 VAL 9 -12.160 -3.782 -3.884 68 3HG1 VAL 9 3HG1 VAL 9 -13.446 -4.872 -3.324 69 1HG2 VAL 9 1HG2 VAL 9 -11.464 -7.136 -5.421 70 2HG2 VAL 9 2HG2 VAL 9 -13.054 -6.431 -5.117 71 3HG2 VAL 9 3HG2 VAL 9 -11.758 -5.425 -5.790 72 HA PRO 10 HA PRO 10 -7.520 -4.646 -0.515 73 1HB PRO 10 1HB PRO 10 -7.253 -1.936 -0.059 74 2HB PRO 10 2HB PRO 10 -6.320 -2.856 -1.271 75 1HG PRO 10 1HG PRO 10 -8.844 -1.246 -1.714 76 2HG PRO 10 2HG PRO 10 -7.324 -1.223 -2.671 77 1HD PRO 10 1HD PRO 10 -9.469 -2.685 -3.461 78 2HD PRO 10 2HD PRO 10 -7.806 -3.311 -3.653 79 H ARG 11 H ARG 11 -8.312 -5.297 1.325 80 HA ARG 11 HA ARG 11 -10.706 -4.192 2.607 81 1HB ARG 11 1HB ARG 11 -8.548 -5.996 3.791 82 2HB ARG 11 2HB ARG 11 -10.146 -5.683 4.458 83 1HG ARG 11 1HG ARG 11 -9.489 -7.238 1.924 84 2HG ARG 11 2HG ARG 11 -10.166 -7.845 3.435 85 1HD ARG 11 1HD ARG 11 -12.181 -6.342 2.988 86 2HD ARG 11 2HD ARG 11 -11.531 -6.070 1.369 87 HE ARG 11 HE ARG 11 -12.775 -8.508 2.437 88 1HH1 ARG 11 2HH2 ARG 11 -10.832 -7.344 -0.301 89 2HH1 ARG 11 1HH2 ARG 11 -11.240 -8.773 -1.212 90 1HH2 ARG 11 2HH1 ARG 11 -13.207 -10.217 1.170 91 2HH2 ARG 11 1HH1 ARG 11 -12.525 -10.326 -0.426 92 H ARG 12 H ARG 12 -7.213 -3.715 3.036 93 HA ARG 12 HA ARG 12 -7.844 -1.160 4.525 94 1HB ARG 12 1HB ARG 12 -5.493 -3.037 4.826 95 2HB ARG 12 2HB ARG 12 -5.538 -1.409 5.496 96 1HG ARG 12 1HG ARG 12 -7.541 -3.586 6.216 97 2HG ARG 12 2HG ARG 12 -6.044 -3.310 7.095 98 1HD ARG 12 1HD ARG 12 -8.257 -1.245 6.782 99 2HD ARG 12 2HD ARG 12 -8.018 -2.302 8.175 100 HE ARG 12 HE ARG 12 -5.686 -0.626 7.478 101 1HH1 ARG 12 2HH2 ARG 12 -8.497 -0.840 9.553 102 2HH1 ARG 12 1HH2 ARG 12 -7.916 0.431 10.594 103 1HH2 ARG 12 2HH1 ARG 12 -5.057 1.088 8.791 104 2HH2 ARG 12 1HH1 ARG 12 -6.046 1.440 10.176 105 HA PRO 13 HA PRO 13 -6.022 -0.076 0.397 106 1HB PRO 13 1HB PRO 13 -7.277 2.411 0.183 107 2HB PRO 13 2HB PRO 13 -7.902 0.854 -0.436 108 1HG PRO 13 1HG PRO 13 -8.520 2.189 2.214 109 2HG PRO 13 2HG PRO 13 -9.670 1.477 1.036 110 1HD PRO 13 1HD PRO 13 -8.974 -0.013 3.124 111 2HD PRO 13 2HD PRO 13 -8.841 -0.734 1.477 112 H VAL 14 H VAL 14 -4.164 0.499 0.415 113 HA VAL 14 HA VAL 14 -2.995 2.725 2.057 114 HB VAL 14 HB VAL 14 -2.414 -0.243 2.002 115 1HG1 VAL 14 1HG1 VAL 14 -0.253 0.068 3.080 116 2HG1 VAL 14 2HG1 VAL 14 -0.233 0.654 1.426 117 3HG1 VAL 14 3HG1 VAL 14 -0.332 1.827 2.750 118 1HG2 VAL 14 1HG2 VAL 14 -2.124 0.189 4.435 119 2HG2 VAL 14 2HG2 VAL 14 -2.403 1.895 4.163 120 3HG2 VAL 14 3HG2 VAL 14 -3.714 0.726 3.868 121 H LEU 15 H LEU 15 -1.363 3.822 1.233 122 HA LEU 15 HA LEU 15 -0.420 3.319 -1.567 123 1HB LEU 15 1HB LEU 15 -2.145 4.910 -1.702 124 2HB LEU 15 2HB LEU 15 -1.782 5.609 -0.143 125 HG LEU 15 HG LEU 15 0.250 6.717 -1.118 126 1HD1 LEU 15 1HD1 LEU 15 0.465 5.342 -3.219 127 2HD1 LEU 15 2HD1 LEU 15 -1.072 6.023 -3.775 128 3HD1 LEU 15 3HD1 LEU 15 0.332 7.084 -3.519 129 1HD2 LEU 15 1HD2 LEU 15 -1.886 7.875 -0.707 130 2HD2 LEU 15 2HD2 LEU 15 -1.052 8.514 -2.127 131 3HD2 LEU 15 3HD2 LEU 15 -2.443 7.431 -2.332 132 H SER 16 H SER 16 1.657 4.326 -2.060 133 HA SER 16 HA SER 16 3.182 5.486 0.192 134 1HB SER 16 1HB SER 16 4.965 4.137 0.093 135 2HB SER 16 2HB SER 16 3.791 2.960 -0.465 136 HG SER 16 HG SER 16 5.740 3.127 -1.729 137 HA PRO 17 HA PRO 17 3.900 8.647 -2.775 138 1HB PRO 17 1HB PRO 17 6.139 9.912 -1.826 139 2HB PRO 17 2HB PRO 17 4.555 9.952 -1.001 140 1HG PRO 17 1HG PRO 17 6.901 8.121 -0.415 141 2HG PRO 17 2HG PRO 17 5.941 9.093 0.740 142 1HD PRO 17 1HD PRO 17 5.433 6.453 0.308 143 2HD PRO 17 2HD PRO 17 4.106 7.624 0.598 144 H LYS 18 H LYS 18 5.940 5.995 -2.633 145 HA LYS 18 HA LYS 18 7.649 6.800 -4.982 146 1HB LYS 18 1HB LYS 18 7.696 4.305 -3.229 147 2HB LYS 18 2HB LYS 18 8.649 4.536 -4.686 148 1HG LYS 18 1HG LYS 18 10.170 4.988 -3.088 149 2HG LYS 18 2HG LYS 18 9.672 6.604 -3.551 150 1HD LYS 18 1HD LYS 18 8.627 7.005 -1.505 151 2HD LYS 18 2HD LYS 18 8.275 5.297 -1.188 152 1HE LYS 18 1HE LYS 18 11.126 6.346 -1.285 153 2HE LYS 18 2HE LYS 18 10.176 6.446 0.197 154 1HZ LYS 18 1HZ LYS 18 10.146 4.139 0.412 155 2HZ LYS 18 2HZ LYS 18 10.309 3.830 -1.145 156 3HZ LYS 18 3HZ LYS 18 11.617 4.322 -0.238 157 H SER 19 H SER 19 5.515 4.159 -3.915 158 HA SER 19 HA SER 19 5.261 2.919 -6.479 159 1HB SER 19 1HB SER 19 3.521 1.578 -5.429 160 2HB SER 19 2HB SER 19 4.895 1.754 -4.326 161 HG SER 19 HG SER 19 3.773 3.209 -3.128 162 H ARG 20 H ARG 20 3.228 5.283 -4.834 163 HA ARG 20 HA ARG 20 1.386 6.513 -5.390 164 1HB ARG 20 1HB ARG 20 2.736 6.364 -8.085 165 2HB ARG 20 2HB ARG 20 1.316 7.362 -7.803 166 1HG ARG 20 1HG ARG 20 2.375 8.797 -6.321 167 2HG ARG 20 2HG ARG 20 3.646 7.649 -5.891 168 1HD ARG 20 1HD ARG 20 3.421 8.869 -8.666 169 2HD ARG 20 2HD ARG 20 4.353 9.601 -7.345 170 HE ARG 20 HE ARG 20 5.240 6.956 -7.452 171 1HH1 ARG 20 2HH2 ARG 20 5.385 9.629 -9.707 172 2HH1 ARG 20 1HH2 ARG 20 6.869 9.035 -10.415 173 1HH2 ARG 20 2HH1 ARG 20 7.035 6.298 -8.304 174 2HH2 ARG 20 1HH1 ARG 20 7.790 7.148 -9.643 175 H THR 21 H THR 21 1.309 3.446 -6.041 176 HA THR 21 HA THR 21 -1.367 3.183 -7.305 177 HB THR 21 HB THR 21 0.548 1.562 -7.768 178 HG1 THR 21 1HG THR 21 -0.781 -0.177 -7.742 179 1HG2 THR 21 1HG2 THR 21 1.159 1.559 -5.188 180 2HG2 THR 21 2HG2 THR 21 -0.075 0.299 -5.108 181 3HG2 THR 21 3HG2 THR 21 1.355 0.115 -6.152 182 H ILE 22 H ILE 22 -2.737 1.363 -5.964 183 HA ILE 22 HA ILE 22 -2.701 2.000 -3.049 184 HB ILE 22 HB ILE 22 -5.207 1.612 -4.674 185 1HG1 ILE 22 1HG1 ILE 22 -4.196 4.125 -3.269 186 2HG1 ILE 22 2HG1 ILE 22 -4.214 3.880 -5.012 187 1HG2 ILE 22 1HG2 ILE 22 -6.392 1.996 -2.538 188 2HG2 ILE 22 2HG2 ILE 22 -5.317 0.624 -2.388 189 3HG2 ILE 22 3HG2 ILE 22 -4.835 2.190 -1.696 190 1HD1 ILE 22 1HD1 ILE 22 -6.670 4.112 -3.245 191 2HD1 ILE 22 2HD1 ILE 22 -6.088 5.254 -4.463 192 3HD1 ILE 22 3HD1 ILE 22 -6.696 3.666 -4.971 193 H PHE 23 H PHE 23 -2.135 0.261 -2.090 194 HA PHE 23 HA PHE 23 -3.062 -2.417 -2.972 195 1HB PHE 23 1HB PHE 23 -0.931 -3.169 -1.491 196 2HB PHE 23 2HB PHE 23 -0.890 -2.982 -3.226 197 HD1 PHE 23 1HD PHE 23 0.935 -1.899 -4.055 198 HD2 PHE 23 2HD PHE 23 -0.406 -0.949 -0.153 199 HE1 PHE 23 1HE PHE 23 2.701 -0.205 -3.952 200 HE2 PHE 23 2HE PHE 23 1.370 0.911 -0.023 201 HZ PHE 23 HZ PHE 23 2.929 1.213 -1.883 202 H GLU 24 H GLU 24 -2.928 -4.008 -1.194 203 HA GLU 24 HA GLU 24 -4.564 -2.897 0.950 204 1HB GLU 24 1HB GLU 24 -5.539 -4.750 0.131 205 2HB GLU 24 2HB GLU 24 -4.092 -5.690 0.053 206 1HG GLU 24 1HG GLU 24 -4.033 -5.853 2.523 207 2HG GLU 24 2HG GLU 24 -5.444 -4.789 2.636 208 H LYS 25 H LYS 25 -3.837 -2.641 3.122 209 HA LYS 25 HA LYS 25 -1.213 -2.147 3.794 210 1HB LYS 25 1HB LYS 25 -3.300 -1.535 5.076 211 2HB LYS 25 2HB LYS 25 -3.343 -3.176 5.719 212 1HG LYS 25 1HG LYS 25 -1.132 -2.870 6.765 213 2HG LYS 25 2HG LYS 25 -0.987 -1.263 6.024 214 1HD LYS 25 1HD LYS 25 -3.025 -0.547 7.270 215 2HD LYS 25 2HD LYS 25 -3.079 -2.126 8.074 216 1HE LYS 25 1HE LYS 25 -0.861 -1.735 9.068 217 2HE LYS 25 2HE LYS 25 -0.698 -0.219 8.169 218 1HZ LYS 25 1HZ LYS 25 -2.734 -0.735 10.273 219 2HZ LYS 25 2HZ LYS 25 -1.426 0.242 10.417 220 3HZ LYS 25 3HZ LYS 25 -2.624 0.640 9.379 221 H SER 26 H SER 26 -3.085 -5.103 4.217 222 HA SER 26 HA SER 26 -1.210 -6.508 5.718 223 1HB SER 26 1HB SER 26 -3.610 -7.148 5.387 224 2HB SER 26 2HB SER 26 -3.181 -7.786 3.784 225 HG SER 26 HG SER 26 -3.192 -9.399 5.442 226 H LEU 27 H LEU 27 -1.483 -6.246 2.223 227 HA LEU 27 HA LEU 27 0.467 -8.321 1.545 228 1HB LEU 27 1HB LEU 27 -0.314 -6.065 -0.299 229 2HB LEU 27 2HB LEU 27 0.131 -7.726 -0.677 230 HG LEU 27 HG LEU 27 -2.463 -6.834 0.538 231 1HD1 LEU 27 1HD1 LEU 27 -3.387 -7.393 -1.715 232 2HD1 LEU 27 2HD1 LEU 27 -2.254 -6.022 -1.672 233 3HD1 LEU 27 3HD1 LEU 27 -1.698 -7.594 -2.265 234 1HD2 LEU 27 1HD2 LEU 27 -1.993 -9.136 1.192 235 2HD2 LEU 27 2HD2 LEU 27 -3.324 -9.066 0.036 236 3HD2 LEU 27 3HD2 LEU 27 -1.698 -9.577 -0.506 237 H LEU 28 H LEU 28 0.436 -4.787 1.850 238 HA LEU 28 HA LEU 28 3.128 -4.366 0.924 239 1HB LEU 28 1HB LEU 28 1.438 -2.522 1.088 240 2HB LEU 28 2HB LEU 28 1.591 -2.593 2.846 241 HG LEU 28 HG LEU 28 4.127 -2.183 2.528 242 1HD1 LEU 28 1HD1 LEU 28 4.734 -1.050 0.369 243 2HD1 LEU 28 2HD1 LEU 28 4.417 -2.768 0.201 244 3HD1 LEU 28 3HD1 LEU 28 3.187 -1.590 -0.307 245 1HD2 LEU 28 1HD2 LEU 28 2.687 -0.462 3.352 246 2HD2 LEU 28 2HD2 LEU 28 3.806 0.250 2.177 247 3HD2 LEU 28 3HD2 LEU 28 2.123 -0.079 1.722 248 H GLU 29 H GLU 29 1.667 -4.802 4.174 249 HA GLU 29 HA GLU 29 3.959 -4.566 5.791 250 1HB GLU 29 1HB GLU 29 1.554 -4.878 6.562 251 2HB GLU 29 2HB GLU 29 1.769 -6.608 6.251 252 1HG GLU 29 1HG GLU 29 3.940 -6.246 7.797 253 2HG GLU 29 2HG GLU 29 3.042 -4.847 8.351 254 H GLN 30 H GLN 30 2.763 -7.430 4.014 255 HA GLN 30 HA GLN 30 4.840 -9.224 4.875 256 1HB GLN 30 1HB GLN 30 2.739 -9.901 3.699 257 2HB GLN 30 2HB GLN 30 3.369 -9.252 2.204 258 1HG GLN 30 1HG GLN 30 3.681 -11.704 2.352 259 2HG GLN 30 2HG GLN 30 5.204 -10.842 2.164 260 1HE2 GLN 30 1HE2 GLN 30 6.851 -11.711 3.459 261 2HE2 GLN 30 2HE2 GLN 30 6.529 -12.462 5.021 262 H TYR 31 H TYR 31 4.630 -7.184 1.970 263 HA TYR 31 HA TYR 31 7.145 -8.094 0.872 264 1HB TYR 31 1HB TYR 31 5.221 -7.152 -0.418 265 2HB TYR 31 2HB TYR 31 5.575 -5.564 0.259 266 HD1 TYR 31 1HD TYR 31 7.516 -8.349 -1.378 267 HD2 TYR 31 2HD TYR 31 6.705 -4.136 -1.210 268 HE1 TYR 31 1HE TYR 31 9.025 -7.964 -3.362 269 HE2 TYR 31 2HE TYR 31 8.372 -3.767 -3.041 270 HH TYR 31 HH TYR 31 10.011 -6.443 -4.712 271 H VAL 32 H VAL 32 6.259 -5.404 2.912 272 HA VAL 32 HA VAL 32 8.844 -4.183 2.711 273 HB VAL 32 HB VAL 32 6.512 -3.106 2.911 274 1HG1 VAL 32 1HG1 VAL 32 7.059 -3.120 5.910 275 2HG1 VAL 32 2HG1 VAL 32 5.595 -2.595 5.036 276 3HG1 VAL 32 3HG1 VAL 32 6.013 -4.304 5.125 277 1HG2 VAL 32 1HG2 VAL 32 8.378 -1.652 2.828 278 2HG2 VAL 32 2HG2 VAL 32 7.304 -1.099 4.103 279 3HG2 VAL 32 3HG2 VAL 32 8.799 -1.941 4.544 280 H LYS 33 H LYS 33 7.568 -6.511 4.772 281 HA LYS 33 HA LYS 33 9.880 -6.273 6.684 282 1HB LYS 33 1HB LYS 33 8.828 -7.597 8.233 283 2HB LYS 33 2HB LYS 33 7.553 -6.569 7.596 284 1HG LYS 33 1HG LYS 33 6.921 -8.574 6.082 285 2HG LYS 33 2HG LYS 33 8.029 -9.536 7.066 286 1HD LYS 33 1HD LYS 33 6.738 -8.957 9.101 287 2HD LYS 33 2HD LYS 33 5.666 -7.920 8.141 288 1HE LYS 33 1HE LYS 33 4.973 -9.898 6.796 289 2HE LYS 33 2HE LYS 33 5.987 -10.929 7.815 290 1HZ LYS 33 1HZ LYS 33 3.670 -10.923 8.556 291 2HZ LYS 33 2HZ LYS 33 4.611 -10.265 9.717 292 3HZ LYS 33 3HZ LYS 33 3.674 -9.306 8.778 293 H ASP 34 H ASP 34 9.013 -7.803 3.868 294 HA ASP 34 HA ASP 34 10.855 -10.088 3.945 295 1HB ASP 34 1HB ASP 34 8.876 -8.931 2.100 296 2HB ASP 34 2HB ASP 34 10.343 -9.256 1.258 297 H THR 35 H THR 35 10.792 -6.949 2.240 298 HA THR 35 HA THR 35 13.809 -6.836 2.213 299 HB THR 35 HB THR 35 13.722 -5.917 -0.053 300 HG1 THR 35 1HG THR 35 11.005 -6.716 -0.093 301 1HG2 THR 35 1HG2 THR 35 14.064 -8.359 0.166 302 2HG2 THR 35 2HG2 THR 35 12.310 -8.614 0.009 303 3HG2 THR 35 3HG2 THR 35 13.226 -7.913 -1.336 304 H GLY 36 H GLY 36 10.759 -5.159 2.436 305 1HA GLY 36 1HA GLY 36 10.418 -3.040 3.437 306 2HA GLY 36 2HA GLY 36 12.095 -2.615 3.180 307 H ASN 37 H ASN 37 11.456 -3.914 0.287 308 HA ASN 37 HA ASN 37 11.539 -1.398 -1.030 309 1HB ASN 37 1HB ASN 37 10.911 -4.208 -1.996 310 2HB ASN 37 2HB ASN 37 11.173 -2.851 -3.066 311 1HD2 ASN 37 1HD2 ASN 37 12.747 -5.105 -3.285 312 2HD2 ASN 37 2HD2 ASN 37 14.381 -4.661 -2.799 313 H ASP 38 H ASP 38 10.146 -0.296 -2.328 314 HA ASP 38 HA ASP 38 7.245 -0.542 -2.073 315 1HB ASP 38 1HB ASP 38 9.091 1.152 -3.808 316 2HB ASP 38 2HB ASP 38 7.329 1.224 -3.914 317 HA PRO 39 HA PRO 39 7.177 -3.918 -4.962 318 1HB PRO 39 1HB PRO 39 4.542 -4.055 -5.698 319 2HB PRO 39 2HB PRO 39 5.160 -4.439 -4.064 320 1HG PRO 39 1HG PRO 39 4.019 -1.798 -5.037 321 2HG PRO 39 2HG PRO 39 3.513 -2.746 -3.599 322 1HD PRO 39 1HD PRO 39 5.246 -0.704 -3.338 323 2HD PRO 39 2HD PRO 39 5.527 -2.231 -2.441 324 H ILE 40 H ILE 40 6.943 -0.826 -6.261 325 HA ILE 40 HA ILE 40 6.724 -1.857 -9.095 326 HB ILE 40 HB ILE 40 5.770 0.769 -7.910 327 1HG1 ILE 40 1HG1 ILE 40 4.213 -1.313 -9.515 328 2HG1 ILE 40 2HG1 ILE 40 4.334 -1.389 -7.760 329 1HG2 ILE 40 1HG2 ILE 40 6.822 1.262 -10.092 330 2HG2 ILE 40 2HG2 ILE 40 5.905 -0.057 -10.849 331 3HG2 ILE 40 3HG2 ILE 40 5.080 1.385 -10.228 332 1HD1 ILE 40 1HD1 ILE 40 2.270 -0.308 -8.351 333 2HD1 ILE 40 2HD1 ILE 40 3.353 0.845 -7.542 334 3HD1 ILE 40 3HD1 ILE 40 3.110 0.920 -9.305 335 H THR 41 H THR 41 8.230 0.640 -7.044 336 HA THR 41 HA THR 41 10.314 1.168 -9.078 337 HB THR 41 HB THR 41 11.088 2.931 -7.488 338 HG1 THR 41 1HG THR 41 8.600 2.336 -6.351 339 1HG2 THR 41 1HG2 THR 41 9.219 4.462 -7.937 340 2HG2 THR 41 2HG2 THR 41 9.603 3.503 -9.374 341 3HG2 THR 41 3HG2 THR 41 8.174 3.100 -8.398 342 H ASN 42 H ASN 42 9.955 -0.822 -6.333 343 HA ASN 42 HA ASN 42 11.172 -1.787 -4.825 344 1HB ASN 42 1HB ASN 42 12.472 -3.386 -5.522 345 2HB ASN 42 2HB ASN 42 11.927 -2.880 -7.109 346 1HD2 ASN 42 2HD2 ASN 42 13.651 -0.659 -7.622 347 2HD2 ASN 42 1HD2 ASN 42 15.291 -1.310 -7.675 348 H GLU 43 H GLU 43 11.364 1.060 -4.816 349 HA GLU 43 HA GLU 43 13.985 1.805 -3.791 350 1HB GLU 43 1HB GLU 43 11.204 2.993 -3.581 351 2HB GLU 43 2HB GLU 43 12.635 3.781 -2.915 352 1HG GLU 43 1HG GLU 43 12.857 2.950 -5.794 353 2HG GLU 43 2HG GLU 43 11.619 4.123 -5.448 354 HA PRO 44 HA PRO 44 13.451 -0.313 0.035 355 1HB PRO 44 1HB PRO 44 15.325 0.856 1.665 356 2HB PRO 44 2HB PRO 44 15.730 -0.203 0.280 357 1HG PRO 44 1HG PRO 44 15.659 2.829 0.346 358 2HG PRO 44 2HG PRO 44 16.949 1.763 -0.299 359 1HD PRO 44 1HD PRO 44 15.068 2.877 -1.925 360 2HD PRO 44 2HD PRO 44 15.669 1.212 -2.209 361 H LEU 45 H LEU 45 12.053 -0.263 1.604 362 HA LEU 45 HA LEU 45 10.836 0.203 3.387 363 1HB LEU 45 1HB LEU 45 12.572 2.634 3.708 364 2HB LEU 45 2HB LEU 45 11.241 2.274 4.801 365 HG LEU 45 HG LEU 45 13.384 0.187 4.225 366 1HD1 LEU 45 1HD1 LEU 45 14.515 2.211 5.057 367 2HD1 LEU 45 2HD1 LEU 45 13.382 2.296 6.428 368 3HD1 LEU 45 3HD1 LEU 45 14.515 0.930 6.281 369 1HD2 LEU 45 1HD2 LEU 45 11.501 0.613 6.585 370 2HD2 LEU 45 2HD2 LEU 45 11.326 -0.635 5.333 371 3HD2 LEU 45 3HD2 LEU 45 12.708 -0.682 6.425 372 H SER 46 H SER 46 8.843 0.696 3.649 373 HA SER 46 HA SER 46 7.540 2.638 1.807 374 1HB SER 46 1HB SER 46 7.603 0.136 1.094 375 2HB SER 46 2HB SER 46 6.326 -0.053 2.284 376 HG SER 46 HG SER 46 6.349 1.561 -0.054 377 H ILE 47 H ILE 47 6.941 0.424 4.475 378 HA ILE 47 HA ILE 47 4.861 1.717 5.716 379 HB ILE 47 HB ILE 47 5.747 -0.592 6.167 380 1HG1 ILE 47 1HG1 ILE 47 5.318 -0.712 8.601 381 2HG1 ILE 47 2HG1 ILE 47 5.299 1.054 8.689 382 1HG2 ILE 47 1HG2 ILE 47 7.548 -1.010 7.715 383 2HG2 ILE 47 2HG2 ILE 47 8.168 0.003 6.411 384 3HG2 ILE 47 3HG2 ILE 47 7.793 0.718 7.995 385 1HD1 ILE 47 1HD1 ILE 47 3.474 -0.621 6.901 386 2HD1 ILE 47 2HD1 ILE 47 3.019 -0.004 8.513 387 3HD1 ILE 47 3HD1 ILE 47 3.367 1.125 7.193 388 H GLU 48 H GLU 48 8.176 2.554 5.989 389 HA GLU 48 HA GLU 48 7.921 4.542 8.091 390 1HB GLU 48 1HB GLU 48 10.013 4.139 5.920 391 2HB GLU 48 2HB GLU 48 10.157 5.301 7.233 392 1HG GLU 48 1HG GLU 48 9.979 2.280 7.572 393 2HG GLU 48 2HG GLU 48 11.449 3.237 7.643 394 H GLU 49 H GLU 49 6.749 4.364 4.953 395 HA GLU 49 HA GLU 49 6.465 7.341 4.717 396 1HB GLU 49 1HB GLU 49 7.081 5.368 2.476 397 2HB GLU 49 2HB GLU 49 6.727 7.076 2.250 398 1HG GLU 49 1HG GLU 49 9.148 5.932 3.692 399 2HG GLU 49 2HG GLU 49 9.114 6.601 2.072 400 H ILE 50 H ILE 50 4.803 4.761 5.418 401 HA ILE 50 HA ILE 50 2.851 4.419 3.509 402 HB ILE 50 HB ILE 50 3.304 2.940 5.402 403 1HG1 ILE 50 1HG1 ILE 50 0.338 3.546 5.154 404 2HG1 ILE 50 2HG1 ILE 50 1.311 2.796 3.882 405 1HG2 ILE 50 1HG2 ILE 50 2.292 3.219 7.586 406 2HG2 ILE 50 2HG2 ILE 50 3.166 4.713 7.238 407 3HG2 ILE 50 3HG2 ILE 50 1.404 4.658 7.063 408 1HD1 ILE 50 1HD1 ILE 50 0.920 1.623 6.666 409 2HD1 ILE 50 2HD1 ILE 50 0.085 1.120 5.198 410 3HD1 ILE 50 3HD1 ILE 50 1.839 0.895 5.313 411 H VAL 51 H VAL 51 1.091 5.163 2.904 412 HA VAL 51 HA VAL 51 -0.449 7.284 4.379 413 HB VAL 51 HB VAL 51 -0.330 6.960 1.357 414 1HG1 VAL 51 1HG1 VAL 51 -2.494 7.853 2.148 415 2HG1 VAL 51 2HG1 VAL 51 -1.650 9.060 3.144 416 3HG1 VAL 51 3HG1 VAL 51 -1.554 9.129 1.371 417 1HG2 VAL 51 1HG2 VAL 51 1.793 7.897 2.150 418 2HG2 VAL 51 2HG2 VAL 51 0.826 9.153 1.372 419 3HG2 VAL 51 3HG2 VAL 51 0.921 9.086 3.144 420 H GLU 52 H GLU 52 -1.735 5.803 5.519 421 HA GLU 52 HA GLU 52 -3.284 3.795 4.023 422 1HB GLU 52 1HB GLU 52 -4.021 4.594 6.829 423 2HB GLU 52 2HB GLU 52 -4.212 3.052 5.975 424 1HG GLU 52 1HG GLU 52 -1.791 2.630 6.180 425 2HG GLU 52 2HG GLU 52 -1.580 4.175 7.003 426 H ILE 53 H ILE 53 -4.964 4.265 2.825 427 HA ILE 53 HA ILE 53 -6.230 6.923 2.881 428 HB ILE 53 HB ILE 53 -6.562 4.461 1.120 429 1HG1 ILE 53 1HG1 ILE 53 -5.296 7.180 0.523 430 2HG1 ILE 53 2HG1 ILE 53 -4.377 5.757 0.998 431 1HG2 ILE 53 1HG2 ILE 53 -7.868 5.910 -0.435 432 2HG2 ILE 53 2HG2 ILE 53 -8.699 5.681 1.087 433 3HG2 ILE 53 3HG2 ILE 53 -7.841 7.210 0.777 434 1HD1 ILE 53 1HD1 ILE 53 -5.196 4.533 -0.998 435 2HD1 ILE 53 2HD1 ILE 53 -5.982 6.033 -1.565 436 3HD1 ILE 53 3HD1 ILE 53 -4.232 5.973 -1.377 437 H VAL 54 H VAL 54 -6.927 3.742 3.968 438 HA VAL 54 HA VAL 54 -9.391 3.053 4.285 439 HB VAL 54 HB VAL 54 -7.711 3.324 6.790 440 1HG1 VAL 54 1HG1 VAL 54 -8.855 1.208 7.389 441 2HG1 VAL 54 2HG1 VAL 54 -10.025 2.501 7.159 442 3HG1 VAL 54 3HG1 VAL 54 -9.799 1.276 5.887 443 1HG2 VAL 54 1HG2 VAL 54 -6.290 2.344 5.062 444 2HG2 VAL 54 2HG2 VAL 54 -6.828 1.084 6.153 445 3HG2 VAL 54 3HG2 VAL 54 -7.603 1.255 4.566 446 HA PRO 55 HA PRO 55 -11.513 6.910 5.503 447 1HB PRO 55 1HB PRO 55 -13.858 5.125 4.829 448 2HB PRO 55 2HB PRO 55 -13.605 6.853 4.431 449 1HG PRO 55 1HG PRO 55 -13.175 4.966 2.550 450 2HG PRO 55 2HG PRO 55 -11.990 6.299 2.749 451 1HD PRO 55 1HD PRO 55 -11.830 3.467 3.813 452 2HD PRO 55 2HD PRO 55 -10.573 4.444 2.998 453 H SER 56 H SER 56 -12.094 3.690 6.808 454 HA SER 56 HA SER 56 -14.031 4.071 8.729 455 1HB SER 56 1HB SER 56 -11.552 2.331 9.040 456 2HB SER 56 2HB SER 56 -13.117 2.113 9.845 457 HG SER 56 HG SER 56 -12.934 0.758 8.016 Start of MODEL 8 1 H MET 1 H MET 1 -5.979 1.963 -9.438 2 HA MET 1 HA MET 1 -6.258 1.860 -7.076 3 1HB MET 1 1HB MET 1 -8.934 1.111 -8.318 4 2HB MET 1 2HB MET 1 -8.733 1.718 -6.676 5 1HG MET 1 1HG MET 1 -8.037 3.204 -9.229 6 2HG MET 1 2HG MET 1 -9.434 3.496 -8.209 7 1HE MET 1 1HE MET 1 -9.439 4.762 -5.933 8 2HE MET 1 2HE MET 1 -8.387 3.518 -5.224 9 3HE MET 1 3HE MET 1 -7.973 5.236 -5.050 10 H LEU 2 H LEU 2 -6.148 -1.078 -8.544 11 HA LEU 2 HA LEU 2 -6.577 -2.604 -5.998 12 1HB LEU 2 1HB LEU 2 -6.379 -3.633 -8.860 13 2HB LEU 2 2HB LEU 2 -6.571 -4.648 -7.430 14 HG LEU 2 HG LEU 2 -8.623 -2.618 -8.431 15 1HD1 LEU 2 1HD1 LEU 2 -9.937 -4.603 -9.032 16 2HD1 LEU 2 2HD1 LEU 2 -8.386 -4.589 -9.892 17 3HD1 LEU 2 3HD1 LEU 2 -8.612 -5.660 -8.493 18 1HD2 LEU 2 1HD2 LEU 2 -8.806 -2.891 -5.993 19 2HD2 LEU 2 2HD2 LEU 2 -10.144 -3.717 -6.797 20 3HD2 LEU 2 3HD2 LEU 2 -8.774 -4.662 -6.172 21 H CYS 3 H CYS 3 -5.088 -4.143 -5.290 22 HA CYS 3 HA CYS 3 -2.720 -2.919 -4.951 23 1HB CYS 3 1HB CYS 3 -2.894 -5.856 -4.365 24 2HB CYS 3 2HB CYS 3 -2.322 -4.573 -3.385 25 HG CYS 3 HG CYS 3 -4.551 -6.118 -2.772 26 H ALA 4 H ALA 4 -0.724 -2.946 -5.501 27 HA ALA 4 HA ALA 4 0.060 -4.005 -8.109 28 1HB ALA 4 1HB ALA 4 1.882 -2.981 -5.904 29 2HB ALA 4 2HB ALA 4 2.255 -3.139 -7.618 30 3HB ALA 4 3HB ALA 4 1.049 -1.943 -7.097 31 H ILE 5 H ILE 5 0.135 -5.207 -4.890 32 HA ILE 5 HA ILE 5 2.250 -7.188 -5.302 33 HB ILE 5 HB ILE 5 0.624 -6.213 -2.921 34 1HG1 ILE 5 1HG1 ILE 5 3.622 -6.219 -3.513 35 2HG1 ILE 5 2HG1 ILE 5 2.547 -4.904 -3.978 36 1HG2 ILE 5 1HG2 ILE 5 2.705 -8.494 -3.049 37 2HG2 ILE 5 2HG2 ILE 5 2.110 -7.774 -1.551 38 3HG2 ILE 5 3HG2 ILE 5 1.004 -8.682 -2.589 39 1HD1 ILE 5 1HD1 ILE 5 3.070 -5.803 -1.136 40 2HD1 ILE 5 2HD1 ILE 5 3.672 -4.341 -1.920 41 3HD1 ILE 5 3HD1 ILE 5 1.926 -4.524 -1.622 42 H SER 6 H SER 6 -1.222 -7.406 -4.495 43 HA SER 6 HA SER 6 -1.231 -10.153 -5.691 44 1HB SER 6 1HB SER 6 -1.387 -10.168 -3.192 45 2HB SER 6 2HB SER 6 -2.968 -9.379 -3.360 46 HG SER 6 HG SER 6 -2.180 -11.928 -4.379 47 H GLY 7 H GLY 7 -2.894 -7.079 -5.591 48 1HA GLY 7 1HA GLY 7 -4.476 -6.228 -7.067 49 2HA GLY 7 2HA GLY 7 -4.498 -7.795 -7.856 50 H LYS 8 H LYS 8 -4.876 -7.710 -4.562 51 HA LYS 8 HA LYS 8 -7.364 -9.161 -4.429 52 1HB LYS 8 1HB LYS 8 -5.395 -9.418 -2.927 53 2HB LYS 8 2HB LYS 8 -5.593 -7.776 -2.359 54 1HG LYS 8 1HG LYS 8 -6.372 -9.293 -0.676 55 2HG LYS 8 2HG LYS 8 -7.788 -8.458 -1.307 56 1HD LYS 8 1HD LYS 8 -8.250 -10.439 -2.794 57 2HD LYS 8 2HD LYS 8 -6.847 -11.261 -2.115 58 1HE LYS 8 1HE LYS 8 -9.265 -10.312 -0.498 59 2HE LYS 8 2HE LYS 8 -9.094 -11.938 -1.164 60 1HZ LYS 8 1HZ LYS 8 -7.258 -10.730 0.842 61 2HZ LYS 8 2HZ LYS 8 -8.371 -11.886 1.136 62 3HZ LYS 8 3HZ LYS 8 -7.090 -12.226 0.191 63 H VAL 9 H VAL 9 -9.330 -8.513 -3.381 64 HA VAL 9 HA VAL 9 -10.282 -5.821 -3.826 65 HB VAL 9 HB VAL 9 -11.824 -7.573 -3.974 66 1HG1 VAL 9 1HG1 VAL 9 -12.673 -8.917 -2.168 67 2HG1 VAL 9 2HG1 VAL 9 -10.943 -9.221 -2.335 68 3HG1 VAL 9 3HG1 VAL 9 -11.551 -8.195 -1.012 69 1HG2 VAL 9 1HG2 VAL 9 -12.613 -5.361 -3.222 70 2HG2 VAL 9 2HG2 VAL 9 -13.639 -6.685 -2.641 71 3HG2 VAL 9 3HG2 VAL 9 -12.500 -5.896 -1.529 72 HA PRO 10 HA PRO 10 -7.857 -4.406 -0.337 73 1HB PRO 10 1HB PRO 10 -9.326 -1.814 -0.793 74 2HB PRO 10 2HB PRO 10 -7.569 -2.109 -0.563 75 1HG PRO 10 1HG PRO 10 -8.556 -1.643 -3.032 76 2HG PRO 10 2HG PRO 10 -7.366 -2.970 -2.790 77 1HD PRO 10 1HD PRO 10 -10.391 -3.173 -2.923 78 2HD PRO 10 2HD PRO 10 -9.162 -4.113 -3.805 79 H ARG 11 H ARG 11 -8.231 -4.855 1.693 80 HA ARG 11 HA ARG 11 -10.857 -4.521 3.055 81 1HB ARG 11 1HB ARG 11 -9.589 -6.655 3.335 82 2HB ARG 11 2HB ARG 11 -8.214 -5.760 3.968 83 1HG ARG 11 1HG ARG 11 -9.412 -6.782 5.785 84 2HG ARG 11 2HG ARG 11 -9.577 -5.030 5.919 85 1HD ARG 11 1HD ARG 11 -11.855 -5.148 4.981 86 2HD ARG 11 2HD ARG 11 -11.664 -6.895 4.716 87 HE ARG 11 HE ARG 11 -11.188 -6.326 7.474 88 1HH1 ARG 11 2HH2 ARG 11 -13.921 -6.388 5.285 89 2HH1 ARG 11 1HH2 ARG 11 -15.051 -6.734 6.572 90 1HH2 ARG 11 1HH1 ARG 11 -12.667 -6.762 9.054 91 2HH2 ARG 11 2HH1 ARG 11 -14.353 -6.935 8.638 92 H ARG 12 H ARG 12 -7.452 -3.551 3.400 93 HA ARG 12 HA ARG 12 -8.319 -0.856 4.415 94 1HB ARG 12 1HB ARG 12 -6.137 -2.615 5.558 95 2HB ARG 12 2HB ARG 12 -6.179 -0.855 5.776 96 1HG ARG 12 1HG ARG 12 -8.442 -1.051 6.812 97 2HG ARG 12 2HG ARG 12 -8.341 -2.818 6.661 98 1HD ARG 12 1HD ARG 12 -6.326 -2.839 8.084 99 2HD ARG 12 2HD ARG 12 -6.382 -1.067 8.208 100 HE ARG 12 HE ARG 12 -8.891 -2.125 9.071 101 1HH1 ARG 12 2HH2 ARG 12 -5.600 -1.975 10.254 102 2HH1 ARG 12 1HH2 ARG 12 -6.104 -2.052 11.921 103 1HH2 ARG 12 2HH1 ARG 12 -9.465 -2.220 11.201 104 2HH2 ARG 12 1HH1 ARG 12 -8.235 -2.194 12.433 105 HA PRO 13 HA PRO 13 -5.888 -0.458 0.530 106 1HB PRO 13 1HB PRO 13 -7.082 2.000 -0.175 107 2HB PRO 13 2HB PRO 13 -7.554 0.375 -0.751 108 1HG PRO 13 1HG PRO 13 -8.706 1.960 1.555 109 2HG PRO 13 2HG PRO 13 -9.581 1.015 0.303 110 1HD PRO 13 1HD PRO 13 -9.224 -0.090 2.700 111 2HD PRO 13 2HD PRO 13 -8.788 -1.043 1.231 112 H VAL 14 H VAL 14 -4.155 0.543 0.270 113 HA VAL 14 HA VAL 14 -3.250 2.809 2.000 114 HB VAL 14 HB VAL 14 -2.921 0.192 2.799 115 1HG1 VAL 14 1HG1 VAL 14 -0.306 0.903 1.450 116 2HG1 VAL 14 2HG1 VAL 14 -0.535 -0.386 2.626 117 3HG1 VAL 14 3HG1 VAL 14 -1.408 -0.468 1.092 118 1HG2 VAL 14 1HG2 VAL 14 -1.152 1.054 4.328 119 2HG2 VAL 14 2HG2 VAL 14 -1.223 2.595 3.439 120 3HG2 VAL 14 3HG2 VAL 14 -2.655 1.942 4.297 121 H LEU 15 H LEU 15 -1.300 3.846 1.299 122 HA LEU 15 HA LEU 15 -0.399 3.236 -1.488 123 1HB LEU 15 1HB LEU 15 -2.123 4.897 -1.582 124 2HB LEU 15 2HB LEU 15 -1.442 5.839 -0.280 125 HG LEU 15 HG LEU 15 0.242 5.481 -2.761 126 1HD1 LEU 15 1HD1 LEU 15 -2.138 7.371 -2.553 127 2HD1 LEU 15 2HD1 LEU 15 -0.870 7.440 -3.804 128 3HD1 LEU 15 3HD1 LEU 15 -1.930 6.036 -3.710 129 1HD2 LEU 15 1HD2 LEU 15 0.955 7.755 -2.252 130 2HD2 LEU 15 2HD2 LEU 15 -0.299 7.923 -1.009 131 3HD2 LEU 15 3HD2 LEU 15 1.060 6.824 -0.754 132 H SER 16 H SER 16 1.679 4.066 -1.971 133 HA SER 16 HA SER 16 3.377 5.122 0.244 134 1HB SER 16 1HB SER 16 4.078 2.806 -0.161 135 2HB SER 16 2HB SER 16 4.200 3.140 -1.903 136 HG SER 16 HG SER 16 6.212 3.291 -0.978 137 HA PRO 17 HA PRO 17 3.642 8.349 -2.831 138 1HB PRO 17 1HB PRO 17 5.788 9.815 -1.934 139 2HB PRO 17 2HB PRO 17 4.189 9.790 -1.133 140 1HG PRO 17 1HG PRO 17 6.645 8.143 -0.438 141 2HG PRO 17 2HG PRO 17 5.617 9.112 0.665 142 1HD PRO 17 1HD PRO 17 5.259 6.441 0.394 143 2HD PRO 17 2HD PRO 17 3.855 7.537 0.557 144 H LYS 18 H LYS 18 5.983 5.939 -2.498 145 HA LYS 18 HA LYS 18 7.830 6.694 -4.659 146 1HB LYS 18 1HB LYS 18 7.402 4.347 -2.825 147 2HB LYS 18 2HB LYS 18 8.470 4.178 -4.220 148 1HG LYS 18 1HG LYS 18 10.015 5.722 -3.412 149 2HG LYS 18 2HG LYS 18 8.855 6.513 -2.335 150 1HD LYS 18 1HD LYS 18 8.866 4.711 -0.774 151 2HD LYS 18 2HD LYS 18 9.746 3.638 -1.880 152 1HE LYS 18 1HE LYS 18 11.744 4.984 -1.743 153 2HE LYS 18 2HE LYS 18 10.901 6.273 -0.876 154 1HZ LYS 18 1HZ LYS 18 12.289 4.541 0.468 155 2HZ LYS 18 2HZ LYS 18 10.861 5.078 1.048 156 3HZ LYS 18 3HZ LYS 18 10.958 3.600 0.346 157 H SER 19 H SER 19 5.680 3.792 -4.385 158 HA SER 19 HA SER 19 5.419 3.411 -7.193 159 1HB SER 19 1HB SER 19 3.599 2.574 -4.903 160 2HB SER 19 2HB SER 19 3.515 1.951 -6.561 161 HG SER 19 HG SER 19 5.561 1.680 -4.634 162 H ARG 20 H ARG 20 3.492 5.294 -4.902 163 HA ARG 20 HA ARG 20 1.734 6.676 -5.008 164 1HB ARG 20 1HB ARG 20 3.261 7.554 -7.025 165 2HB ARG 20 2HB ARG 20 1.911 7.006 -7.996 166 1HG ARG 20 1HG ARG 20 1.619 9.339 -7.587 167 2HG ARG 20 2HG ARG 20 0.385 8.506 -6.654 168 1HD ARG 20 1HD ARG 20 1.362 10.341 -5.355 169 2HD ARG 20 2HD ARG 20 1.713 8.804 -4.590 170 HE ARG 20 HE ARG 20 4.012 9.040 -5.090 171 1HH1 ARG 20 2HH2 ARG 20 2.374 11.683 -6.722 172 2HH1 ARG 20 1HH2 ARG 20 3.895 12.476 -7.047 173 1HH2 ARG 20 2HH1 ARG 20 5.785 10.058 -5.484 174 2HH2 ARG 20 1HH1 ARG 20 5.807 11.573 -6.372 175 H THR 21 H THR 21 1.546 3.687 -6.348 176 HA THR 21 HA THR 21 -1.190 3.624 -7.289 177 HB THR 21 HB THR 21 -0.755 1.230 -7.402 178 HG1 THR 21 1HG THR 21 1.154 0.383 -6.636 179 1HG2 THR 21 1HG2 THR 21 0.371 2.709 -9.164 180 2HG2 THR 21 2HG2 THR 21 1.872 2.534 -8.211 181 3HG2 THR 21 3HG2 THR 21 1.102 1.108 -8.912 182 H ILE 22 H ILE 22 -2.558 1.687 -6.142 183 HA ILE 22 HA ILE 22 -2.567 2.099 -3.171 184 HB ILE 22 HB ILE 22 -4.780 1.167 -4.993 185 1HG1 ILE 22 1HG1 ILE 22 -4.500 3.521 -5.463 186 2HG1 ILE 22 2HG1 ILE 22 -5.984 3.241 -4.578 187 1HG2 ILE 22 1HG2 ILE 22 -6.241 1.493 -2.981 188 2HG2 ILE 22 2HG2 ILE 22 -5.063 0.201 -2.806 189 3HG2 ILE 22 3HG2 ILE 22 -4.773 1.765 -2.014 190 1HD1 ILE 22 1HD1 ILE 22 -4.830 5.261 -3.780 191 2HD1 ILE 22 2HD1 ILE 22 -4.931 4.046 -2.493 192 3HD1 ILE 22 3HD1 ILE 22 -3.403 4.294 -3.363 193 H PHE 23 H PHE 23 -2.363 0.306 -1.980 194 HA PHE 23 HA PHE 23 -2.807 -2.335 -3.120 195 1HB PHE 23 1HB PHE 23 -0.637 -2.904 -1.467 196 2HB PHE 23 2HB PHE 23 -0.691 -2.988 -3.215 197 HD1 PHE 23 1HD PHE 23 0.891 -1.764 -4.417 198 HD2 PHE 23 2HD PHE 23 0.032 -0.720 -0.434 199 HE1 PHE 23 1HE PHE 23 2.558 0.076 -4.607 200 HE2 PHE 23 2HE PHE 23 1.634 1.267 -0.579 201 HZ PHE 23 HZ PHE 23 2.908 1.611 -2.691 202 H GLU 24 H GLU 24 -2.793 -4.013 -1.407 203 HA GLU 24 HA GLU 24 -4.621 -3.049 0.685 204 1HB GLU 24 1HB GLU 24 -5.473 -4.947 -0.192 205 2HB GLU 24 2HB GLU 24 -3.941 -5.710 -0.441 206 1HG GLU 24 1HG GLU 24 -5.250 -6.852 1.300 207 2HG GLU 24 2HG GLU 24 -3.740 -6.224 1.958 208 H LYS 25 H LYS 25 -4.052 -2.751 2.856 209 HA LYS 25 HA LYS 25 -1.442 -2.059 3.602 210 1HB LYS 25 1HB LYS 25 -3.334 -1.161 4.762 211 2HB LYS 25 2HB LYS 25 -3.954 -2.770 5.125 212 1HG LYS 25 1HG LYS 25 -3.102 -1.772 7.134 213 2HG LYS 25 2HG LYS 25 -2.151 -3.180 6.705 214 1HD LYS 25 1HD LYS 25 -0.747 -1.050 5.491 215 2HD LYS 25 2HD LYS 25 -1.336 -0.338 6.992 216 1HE LYS 25 1HE LYS 25 0.170 -2.978 6.740 217 2HE LYS 25 2HE LYS 25 0.945 -1.441 7.118 218 1HZ LYS 25 1HZ LYS 25 -0.257 -1.365 9.196 219 2HZ LYS 25 2HZ LYS 25 -1.144 -2.693 8.822 220 3HZ LYS 25 3HZ LYS 25 0.460 -2.843 9.074 221 H SER 26 H SER 26 -3.257 -5.035 4.087 222 HA SER 26 HA SER 26 -1.387 -6.353 5.694 223 1HB SER 26 1HB SER 26 -3.728 -7.083 5.324 224 2HB SER 26 2HB SER 26 -3.281 -7.661 3.706 225 HG SER 26 HG SER 26 -3.251 -9.319 5.333 226 H LEU 27 H LEU 27 -1.465 -6.176 2.136 227 HA LEU 27 HA LEU 27 0.555 -8.310 1.816 228 1HB LEU 27 1HB LEU 27 0.063 -6.580 -0.514 229 2HB LEU 27 2HB LEU 27 0.142 -8.330 -0.387 230 HG LEU 27 HG LEU 27 -2.244 -6.650 0.331 231 1HD1 LEU 27 1HD1 LEU 27 -1.770 -6.340 -1.981 232 2HD1 LEU 27 2HD1 LEU 27 -1.478 -8.074 -2.208 233 3HD1 LEU 27 3HD1 LEU 27 -3.133 -7.483 -1.887 234 1HD2 LEU 27 1HD2 LEU 27 -2.077 -9.641 -0.205 235 2HD2 LEU 27 2HD2 LEU 27 -2.286 -8.890 1.392 236 3HD2 LEU 27 3HD2 LEU 27 -3.552 -8.713 0.172 237 H LEU 28 H LEU 28 0.346 -4.782 1.651 238 HA LEU 28 HA LEU 28 2.997 -4.336 0.594 239 1HB LEU 28 1HB LEU 28 1.268 -2.567 0.610 240 2HB LEU 28 2HB LEU 28 1.393 -2.490 2.370 241 HG LEU 28 HG LEU 28 3.936 -2.026 2.028 242 1HD1 LEU 28 1HD1 LEU 28 4.491 -0.957 -0.175 243 2HD1 LEU 28 2HD1 LEU 28 4.276 -2.705 -0.252 244 3HD1 LEU 28 3HD1 LEU 28 2.990 -1.632 -0.834 245 1HD2 LEU 28 1HD2 LEU 28 2.462 -0.377 2.786 246 2HD2 LEU 28 2HD2 LEU 28 3.504 0.366 1.560 247 3HD2 LEU 28 3HD2 LEU 28 1.825 -0.066 1.170 248 H GLU 29 H GLU 29 1.674 -4.440 3.945 249 HA GLU 29 HA GLU 29 4.179 -3.958 5.260 250 1HB GLU 29 1HB GLU 29 1.849 -3.949 6.311 251 2HB GLU 29 2HB GLU 29 1.983 -5.714 6.402 252 1HG GLU 29 1HG GLU 29 4.238 -5.271 7.631 253 2HG GLU 29 2HG GLU 29 3.728 -3.592 7.732 254 H GLN 30 H GLN 30 2.674 -7.022 4.185 255 HA GLN 30 HA GLN 30 4.670 -8.789 5.213 256 1HB GLN 30 1HB GLN 30 2.403 -9.352 4.217 257 2HB GLN 30 2HB GLN 30 3.115 -9.171 2.618 258 1HG GLN 30 1HG GLN 30 4.754 -10.959 3.122 259 2HG GLN 30 2HG GLN 30 4.125 -11.088 4.767 260 1HE2 GLN 30 1HE2 GLN 30 3.070 -11.414 1.299 261 2HE2 GLN 30 2HE2 GLN 30 1.878 -12.654 1.688 262 H TYR 31 H TYR 31 4.464 -7.124 2.092 263 HA TYR 31 HA TYR 31 6.825 -8.293 0.889 264 1HB TYR 31 1HB TYR 31 4.893 -7.295 -0.328 265 2HB TYR 31 2HB TYR 31 5.326 -5.708 0.282 266 HD1 TYR 31 1HD TYR 31 6.958 -8.574 -1.503 267 HD2 TYR 31 2HD TYR 31 6.516 -4.314 -1.202 268 HE1 TYR 31 1HE TYR 31 8.262 -8.267 -3.657 269 HE2 TYR 31 2HE TYR 31 7.969 -4.048 -3.209 270 HH TYR 31 HH TYR 31 9.234 -6.795 -5.070 271 H VAL 32 H VAL 32 6.220 -5.396 2.753 272 HA VAL 32 HA VAL 32 8.928 -4.440 2.387 273 HB VAL 32 HB VAL 32 6.438 -3.271 3.572 274 1HG1 VAL 32 1HG1 VAL 32 7.312 -1.186 3.950 275 2HG1 VAL 32 2HG1 VAL 32 8.291 -2.283 4.896 276 3HG1 VAL 32 3HG1 VAL 32 8.924 -1.616 3.371 277 1HG2 VAL 32 1HG2 VAL 32 6.292 -2.015 1.644 278 2HG2 VAL 32 2HG2 VAL 32 7.993 -2.295 1.208 279 3HG2 VAL 32 3HG2 VAL 32 6.789 -3.571 1.059 280 H LYS 33 H LYS 33 7.352 -6.284 4.758 281 HA LYS 33 HA LYS 33 9.573 -5.927 6.735 282 1HB LYS 33 1HB LYS 33 8.394 -7.061 8.330 283 2HB LYS 33 2HB LYS 33 7.163 -6.134 7.484 284 1HG LYS 33 1HG LYS 33 6.819 -8.381 6.131 285 2HG LYS 33 2HG LYS 33 7.673 -9.122 7.479 286 1HD LYS 33 1HD LYS 33 5.079 -7.519 7.590 287 2HD LYS 33 2HD LYS 33 5.250 -9.268 7.786 288 1HE LYS 33 1HE LYS 33 6.544 -8.923 9.867 289 2HE LYS 33 2HE LYS 33 6.437 -7.169 9.659 290 1HZ LYS 33 1HZ LYS 33 4.012 -7.339 9.872 291 2HZ LYS 33 2HZ LYS 33 4.100 -8.965 10.048 292 3HZ LYS 33 3HZ LYS 33 4.736 -7.981 11.186 293 H ASP 34 H ASP 34 8.825 -7.769 4.035 294 HA ASP 34 HA ASP 34 10.726 -9.964 4.430 295 1HB ASP 34 1HB ASP 34 8.790 -9.098 2.402 296 2HB ASP 34 2HB ASP 34 10.298 -9.447 1.639 297 H THR 35 H THR 35 10.722 -7.252 2.104 298 HA THR 35 HA THR 35 13.708 -6.968 2.375 299 HB THR 35 HB THR 35 13.948 -6.576 0.071 300 HG1 THR 35 1HG THR 35 11.176 -7.044 -0.276 301 1HG2 THR 35 1HG2 THR 35 12.188 -9.046 0.284 302 2HG2 THR 35 2HG2 THR 35 13.394 -8.683 -0.963 303 3HG2 THR 35 3HG2 THR 35 13.913 -8.971 0.707 304 H GLY 36 H GLY 36 10.689 -5.281 2.474 305 1HA GLY 36 1HA GLY 36 10.412 -3.110 3.192 306 2HA GLY 36 2HA GLY 36 12.114 -2.780 2.997 307 H ASN 37 H ASN 37 11.642 -4.009 0.095 308 HA ASN 37 HA ASN 37 11.669 -1.374 -1.064 309 1HB ASN 37 1HB ASN 37 11.392 -4.140 -2.342 310 2HB ASN 37 2HB ASN 37 11.797 -2.670 -3.209 311 1HD2 ASN 37 1HD2 ASN 37 13.146 -5.339 -1.650 312 2HD2 ASN 37 2HD2 ASN 37 14.777 -4.672 -1.512 313 H ASP 38 H ASP 38 10.217 -0.210 -2.301 314 HA ASP 38 HA ASP 38 7.394 -0.742 -2.151 315 1HB ASP 38 1HB ASP 38 9.104 1.310 -3.417 316 2HB ASP 38 2HB ASP 38 7.800 0.838 -4.458 317 HA PRO 39 HA PRO 39 7.052 -3.940 -5.184 318 1HB PRO 39 1HB PRO 39 4.418 -3.878 -5.879 319 2HB PRO 39 2HB PRO 39 5.024 -4.347 -4.261 320 1HG PRO 39 1HG PRO 39 4.015 -1.632 -5.145 321 2HG PRO 39 2HG PRO 39 3.494 -2.584 -3.715 322 1HD PRO 39 1HD PRO 39 5.347 -0.622 -3.492 323 2HD PRO 39 2HD PRO 39 5.527 -2.150 -2.576 324 H ILE 40 H ILE 40 6.968 -0.719 -6.254 325 HA ILE 40 HA ILE 40 6.718 -1.515 -9.152 326 HB ILE 40 HB ILE 40 5.920 1.129 -7.913 327 1HG1 ILE 40 1HG1 ILE 40 4.213 -0.553 -7.417 328 2HG1 ILE 40 2HG1 ILE 40 3.632 0.637 -8.559 329 1HG2 ILE 40 1HG2 ILE 40 5.048 1.662 -10.200 330 2HG2 ILE 40 2HG2 ILE 40 6.803 1.593 -10.084 331 3HG2 ILE 40 3HG2 ILE 40 5.922 0.237 -10.812 332 1HD1 ILE 40 1HD1 ILE 40 4.510 -2.205 -9.224 333 2HD1 ILE 40 2HD1 ILE 40 2.857 -1.564 -9.208 334 3HD1 ILE 40 3HD1 ILE 40 3.991 -1.001 -10.431 335 H THR 41 H THR 41 8.201 0.882 -6.913 336 HA THR 41 HA THR 41 10.237 1.537 -8.953 337 HB THR 41 HB THR 41 11.034 3.226 -7.362 338 HG1 THR 41 1HG THR 41 8.745 2.380 -5.984 339 1HG2 THR 41 1HG2 THR 41 8.025 3.358 -7.892 340 2HG2 THR 41 2HG2 THR 41 9.097 4.715 -7.489 341 3HG2 THR 41 3HG2 THR 41 9.303 3.847 -9.025 342 H ASN 42 H ASN 42 9.951 -0.685 -6.348 343 HA ASN 42 HA ASN 42 11.206 -1.567 -4.840 344 1HB ASN 42 1HB ASN 42 12.859 -2.992 -5.623 345 2HB ASN 42 2HB ASN 42 11.606 -2.899 -6.832 346 1HD2 ASN 42 2HD2 ASN 42 14.784 -1.378 -6.084 347 2HD2 ASN 42 1HD2 ASN 42 15.313 -1.358 -7.773 348 H GLU 43 H GLU 43 11.386 1.189 -4.728 349 HA GLU 43 HA GLU 43 14.119 1.792 -3.755 350 1HB GLU 43 1HB GLU 43 11.503 3.302 -3.419 351 2HB GLU 43 2HB GLU 43 13.075 3.830 -2.809 352 1HG GLU 43 1HG GLU 43 13.462 3.208 -5.576 353 2HG GLU 43 2HG GLU 43 11.949 4.088 -5.474 354 HA PRO 44 HA PRO 44 13.492 -0.473 -0.068 355 1HB PRO 44 1HB PRO 44 15.462 0.465 1.596 356 2HB PRO 44 2HB PRO 44 15.770 -0.529 0.138 357 1HG PRO 44 1HG PRO 44 15.890 2.495 0.387 358 2HG PRO 44 2HG PRO 44 17.104 1.394 -0.344 359 1HD PRO 44 1HD PRO 44 15.283 2.707 -1.869 360 2HD PRO 44 2HD PRO 44 15.751 1.020 -2.250 361 H LEU 45 H LEU 45 12.231 -0.479 1.595 362 HA LEU 45 HA LEU 45 10.900 -0.073 3.283 363 1HB LEU 45 1HB LEU 45 12.497 2.438 3.713 364 2HB LEU 45 2HB LEU 45 11.075 2.072 4.674 365 HG LEU 45 HG LEU 45 13.319 0.034 4.379 366 1HD1 LEU 45 1HD1 LEU 45 14.322 2.107 5.245 367 2HD1 LEU 45 2HD1 LEU 45 13.056 2.222 6.489 368 3HD1 LEU 45 3HD1 LEU 45 14.224 0.882 6.518 369 1HD2 LEU 45 1HD2 LEU 45 11.192 -0.815 5.325 370 2HD2 LEU 45 2HD2 LEU 45 12.457 -0.767 6.551 371 3HD2 LEU 45 3HD2 LEU 45 11.206 0.487 6.533 372 H SER 46 H SER 46 8.964 0.806 3.794 373 HA SER 46 HA SER 46 7.610 2.512 1.802 374 1HB SER 46 1HB SER 46 7.608 -0.020 1.217 375 2HB SER 46 2HB SER 46 6.282 -0.047 2.401 376 HG SER 46 HG SER 46 6.495 1.414 -0.010 377 H ILE 47 H ILE 47 6.874 0.356 4.517 378 HA ILE 47 HA ILE 47 4.786 1.736 5.560 379 HB ILE 47 HB ILE 47 5.500 -0.650 5.983 380 1HG1 ILE 47 1HG1 ILE 47 4.754 -0.825 8.363 381 2HG1 ILE 47 2HG1 ILE 47 4.721 0.938 8.456 382 1HG2 ILE 47 1HG2 ILE 47 7.323 0.493 8.134 383 2HG2 ILE 47 2HG2 ILE 47 7.050 -1.213 7.741 384 3HG2 ILE 47 3HG2 ILE 47 7.878 -0.171 6.581 385 1HD1 ILE 47 1HD1 ILE 47 3.025 0.989 6.652 386 2HD1 ILE 47 2HD1 ILE 47 3.133 -0.775 6.485 387 3HD1 ILE 47 3HD1 ILE 47 2.492 -0.052 7.984 388 H GLU 48 H GLU 48 8.076 2.441 6.134 389 HA GLU 48 HA GLU 48 7.759 4.267 8.372 390 1HB GLU 48 1HB GLU 48 9.949 3.920 6.280 391 2HB GLU 48 2HB GLU 48 10.061 5.032 7.641 392 1HG GLU 48 1HG GLU 48 9.741 2.013 7.906 393 2HG GLU 48 2HG GLU 48 11.259 2.890 8.007 394 H GLU 49 H GLU 49 6.774 4.387 5.161 395 HA GLU 49 HA GLU 49 6.497 7.375 5.189 396 1HB GLU 49 1HB GLU 49 7.475 5.625 2.897 397 2HB GLU 49 2HB GLU 49 6.929 7.298 2.696 398 1HG GLU 49 1HG GLU 49 8.654 8.077 4.284 399 2HG GLU 49 2HG GLU 49 9.248 6.420 4.464 400 H ILE 50 H ILE 50 4.804 4.791 5.590 401 HA ILE 50 HA ILE 50 2.970 4.509 3.588 402 HB ILE 50 HB ILE 50 3.389 3.104 5.625 403 1HG1 ILE 50 1HG1 ILE 50 1.053 2.200 5.800 404 2HG1 ILE 50 2HG1 ILE 50 0.513 3.527 4.770 405 1HG2 ILE 50 1HG2 ILE 50 3.008 4.860 7.361 406 2HG2 ILE 50 2HG2 ILE 50 1.273 4.789 7.003 407 3HG2 ILE 50 3HG2 ILE 50 2.107 3.361 7.640 408 1HD1 ILE 50 1HD1 ILE 50 1.948 2.718 2.937 409 2HD1 ILE 50 2HD1 ILE 50 2.718 1.546 4.029 410 3HD1 ILE 50 3HD1 ILE 50 1.021 1.355 3.573 411 H VAL 51 H VAL 51 1.147 5.200 2.987 412 HA VAL 51 HA VAL 51 -0.330 7.430 4.361 413 HB VAL 51 HB VAL 51 -0.167 7.055 1.352 414 1HG1 VAL 51 1HG1 VAL 51 -2.274 8.099 2.153 415 2HG1 VAL 51 2HG1 VAL 51 -1.333 9.303 3.054 416 3HG1 VAL 51 3HG1 VAL 51 -1.273 9.257 1.280 417 1HG2 VAL 51 1HG2 VAL 51 1.211 9.111 3.124 418 2HG2 VAL 51 2HG2 VAL 51 2.004 7.867 2.129 419 3HG2 VAL 51 3HG2 VAL 51 1.120 9.180 1.347 420 H GLU 52 H GLU 52 -1.741 6.038 5.482 421 HA GLU 52 HA GLU 52 -3.153 3.952 4.027 422 1HB GLU 52 1HB GLU 52 -4.100 4.803 6.742 423 2HB GLU 52 2HB GLU 52 -4.033 3.217 5.972 424 1HG GLU 52 1HG GLU 52 -2.410 2.933 7.516 425 2HG GLU 52 2HG GLU 52 -1.402 3.531 6.211 426 H ILE 53 H ILE 53 -5.034 3.964 3.012 427 HA ILE 53 HA ILE 53 -6.546 6.518 2.851 428 HB ILE 53 HB ILE 53 -6.725 4.140 0.980 429 1HG1 ILE 53 1HG1 ILE 53 -4.403 4.777 0.855 430 2HG1 ILE 53 2HG1 ILE 53 -5.244 5.290 -0.588 431 1HG2 ILE 53 1HG2 ILE 53 -7.485 7.083 0.674 432 2HG2 ILE 53 2HG2 ILE 53 -7.554 5.869 -0.620 433 3HG2 ILE 53 3HG2 ILE 53 -8.595 5.711 0.793 434 1HD1 ILE 53 1HD1 ILE 53 -3.623 6.976 0.167 435 2HD1 ILE 53 2HD1 ILE 53 -5.266 7.635 0.204 436 3HD1 ILE 53 3HD1 ILE 53 -4.471 7.136 1.714 437 H VAL 54 H VAL 54 -7.077 5.658 5.103 438 HA VAL 54 HA VAL 54 -8.517 3.399 5.741 439 HB VAL 54 HB VAL 54 -8.810 6.074 7.134 440 1HG1 VAL 54 1HG1 VAL 54 -10.491 4.442 7.908 441 2HG1 VAL 54 2HG1 VAL 54 -9.228 3.208 8.112 442 3HG1 VAL 54 3HG1 VAL 54 -9.250 4.663 9.134 443 1HG2 VAL 54 1HG2 VAL 54 -6.786 3.816 7.507 444 2HG2 VAL 54 2HG2 VAL 54 -6.442 5.481 6.978 445 3HG2 VAL 54 3HG2 VAL 54 -7.008 5.186 8.617 446 HA PRO 55 HA PRO 55 -12.341 4.134 3.421 447 1HB PRO 55 1HB PRO 55 -13.180 1.710 5.022 448 2HB PRO 55 2HB PRO 55 -13.454 2.064 3.288 449 1HG PRO 55 1HG PRO 55 -11.472 0.380 4.019 450 2HG PRO 55 2HG PRO 55 -11.157 1.629 2.768 451 1HD PRO 55 1HD PRO 55 -10.444 1.692 5.709 452 2HD PRO 55 2HD PRO 55 -9.448 2.143 4.289 453 H SER 56 H SER 56 -12.331 3.651 6.935 454 HA SER 56 HA SER 56 -14.957 4.266 7.642 455 1HB SER 56 1HB SER 56 -12.454 5.062 9.178 456 2HB SER 56 2HB SER 56 -14.072 4.797 9.849 457 HG SER 56 HG SER 56 -13.912 2.604 9.237 Start of MODEL 9 1 H MET 1 H MET 1 -6.446 2.221 -8.739 2 HA MET 1 HA MET 1 -6.994 1.731 -6.389 3 1HB MET 1 1HB MET 1 -8.788 2.456 -7.990 4 2HB MET 1 2HB MET 1 -9.238 0.758 -8.207 5 1HG MET 1 1HG MET 1 -9.832 0.594 -5.832 6 2HG MET 1 2HG MET 1 -9.237 2.231 -5.539 7 1HE MET 1 1HE MET 1 -12.072 1.157 -4.595 8 2HE MET 1 2HE MET 1 -11.495 2.812 -4.291 9 3HE MET 1 3HE MET 1 -13.110 2.544 -4.991 10 H LEU 2 H LEU 2 -6.378 -0.965 -8.302 11 HA LEU 2 HA LEU 2 -6.887 -2.889 -6.060 12 1HB LEU 2 1HB LEU 2 -6.896 -4.694 -7.651 13 2HB LEU 2 2HB LEU 2 -8.050 -3.465 -8.125 14 HG LEU 2 HG LEU 2 -6.039 -2.611 -9.683 15 1HD1 LEU 2 1HD1 LEU 2 -4.760 -4.490 -10.620 16 2HD1 LEU 2 2HD1 LEU 2 -4.380 -4.324 -8.908 17 3HD1 LEU 2 3HD1 LEU 2 -5.485 -5.606 -9.443 18 1HD2 LEU 2 1HD2 LEU 2 -7.752 -5.051 -10.299 19 2HD2 LEU 2 2HD2 LEU 2 -8.238 -3.348 -10.475 20 3HD2 LEU 2 3HD2 LEU 2 -6.955 -4.006 -11.498 21 H CYS 3 H CYS 3 -5.324 -4.287 -5.301 22 HA CYS 3 HA CYS 3 -3.051 -2.934 -4.837 23 1HB CYS 3 1HB CYS 3 -3.298 -5.932 -4.364 24 2HB CYS 3 2HB CYS 3 -2.529 -4.746 -3.403 25 HG CYS 3 HG CYS 3 -4.777 -6.148 -2.699 26 H ALA 4 H ALA 4 -0.976 -2.859 -5.292 27 HA ALA 4 HA ALA 4 -0.141 -3.837 -7.924 28 1HB ALA 4 1HB ALA 4 1.735 -2.717 -5.835 29 2HB ALA 4 2HB ALA 4 1.906 -2.739 -7.583 30 3HB ALA 4 3HB ALA 4 0.675 -1.694 -6.856 31 H ILE 5 H ILE 5 -0.134 -5.206 -4.799 32 HA ILE 5 HA ILE 5 2.147 -7.027 -5.272 33 HB ILE 5 HB ILE 5 0.528 -6.268 -2.814 34 1HG1 ILE 5 1HG1 ILE 5 3.469 -5.825 -3.516 35 2HG1 ILE 5 2HG1 ILE 5 2.207 -4.625 -3.795 36 1HG2 ILE 5 1HG2 ILE 5 2.883 -8.240 -3.189 37 2HG2 ILE 5 2HG2 ILE 5 2.317 -7.692 -1.607 38 3HG2 ILE 5 3HG2 ILE 5 1.254 -8.663 -2.619 39 1HD1 ILE 5 1HD1 ILE 5 1.696 -4.575 -1.366 40 2HD1 ILE 5 2HD1 ILE 5 3.060 -5.689 -1.087 41 3HD1 ILE 5 3HD1 ILE 5 3.361 -4.091 -1.757 42 H SER 6 H SER 6 -1.327 -7.368 -4.326 43 HA SER 6 HA SER 6 -1.252 -10.145 -5.431 44 1HB SER 6 1HB SER 6 -2.866 -10.861 -3.928 45 2HB SER 6 2HB SER 6 -1.705 -9.934 -2.969 46 HG SER 6 HG SER 6 -3.894 -9.381 -2.511 47 H GLY 7 H GLY 7 -2.881 -7.067 -5.685 48 1HA GLY 7 1HA GLY 7 -4.234 -6.358 -7.477 49 2HA GLY 7 2HA GLY 7 -4.226 -8.027 -8.036 50 H LYS 8 H LYS 8 -5.070 -7.795 -4.866 51 HA LYS 8 HA LYS 8 -7.839 -8.639 -5.121 52 1HB LYS 8 1HB LYS 8 -6.231 -9.413 -3.471 53 2HB LYS 8 2HB LYS 8 -5.983 -7.778 -2.867 54 1HG LYS 8 1HG LYS 8 -8.242 -7.775 -1.906 55 2HG LYS 8 2HG LYS 8 -8.579 -9.373 -2.622 56 1HD LYS 8 1HD LYS 8 -6.752 -10.357 -1.286 57 2HD LYS 8 2HD LYS 8 -6.315 -8.751 -0.674 58 1HE LYS 8 1HE LYS 8 -8.673 -8.576 0.271 59 2HE LYS 8 2HE LYS 8 -8.902 -10.282 -0.154 60 1HZ LYS 8 1HZ LYS 8 -6.870 -9.168 1.708 61 2HZ LYS 8 2HZ LYS 8 -8.170 -10.078 2.129 62 3HZ LYS 8 3HZ LYS 8 -6.942 -10.762 1.289 63 H VAL 9 H VAL 9 -9.590 -7.550 -3.922 64 HA VAL 9 HA VAL 9 -9.834 -4.632 -4.422 65 HB VAL 9 HB VAL 9 -11.814 -6.591 -3.193 66 1HG1 VAL 9 1HG1 VAL 9 -12.151 -3.691 -4.098 67 2HG1 VAL 9 2HG1 VAL 9 -13.459 -4.775 -3.573 68 3HG1 VAL 9 3HG1 VAL 9 -12.217 -4.276 -2.420 69 1HG2 VAL 9 1HG2 VAL 9 -11.427 -7.062 -5.585 70 2HG2 VAL 9 2HG2 VAL 9 -13.015 -6.333 -5.342 71 3HG2 VAL 9 3HG2 VAL 9 -11.677 -5.349 -5.979 72 HA PRO 10 HA PRO 10 -7.486 -4.411 -0.644 73 1HB PRO 10 1HB PRO 10 -8.384 -1.535 -0.571 74 2HB PRO 10 2HB PRO 10 -6.751 -2.223 -0.318 75 1HG PRO 10 1HG PRO 10 -7.466 -1.083 -2.681 76 2HG PRO 10 2HG PRO 10 -6.467 -2.568 -2.648 77 1HD PRO 10 1HD PRO 10 -9.422 -2.294 -3.177 78 2HD PRO 10 2HD PRO 10 -8.216 -3.347 -3.967 79 H ARG 11 H ARG 11 -8.198 -5.437 1.112 80 HA ARG 11 HA ARG 11 -10.580 -4.895 2.654 81 1HB ARG 11 1HB ARG 11 -9.312 -6.996 2.747 82 2HB ARG 11 2HB ARG 11 -7.905 -6.128 3.382 83 1HG ARG 11 1HG ARG 11 -8.951 -5.722 5.488 84 2HG ARG 11 2HG ARG 11 -10.524 -6.292 4.894 85 1HD ARG 11 1HD ARG 11 -9.252 -7.930 6.342 86 2HD ARG 11 2HD ARG 11 -9.792 -8.553 4.777 87 HE ARG 11 HE ARG 11 -7.274 -7.822 4.112 88 1HH1 ARG 11 2HH2 ARG 11 -8.239 -9.717 6.905 89 2HH1 ARG 11 1HH2 ARG 11 -6.740 -10.616 6.863 90 1HH2 ARG 11 2HH1 ARG 11 -5.570 -8.968 4.060 91 2HH2 ARG 11 1HH1 ARG 11 -5.244 -10.229 5.256 92 H ARG 12 H ARG 12 -7.218 -3.842 3.051 93 HA ARG 12 HA ARG 12 -8.152 -1.311 4.383 94 1HB ARG 12 1HB ARG 12 -5.839 -3.104 5.118 95 2HB ARG 12 2HB ARG 12 -5.767 -1.378 5.432 96 1HG ARG 12 1HG ARG 12 -7.849 -3.298 6.534 97 2HG ARG 12 2HG ARG 12 -6.492 -2.599 7.402 98 1HD ARG 12 1HD ARG 12 -9.049 -1.286 6.491 99 2HD ARG 12 2HD ARG 12 -8.359 -1.326 8.105 100 HE ARG 12 HE ARG 12 -7.975 0.710 6.134 101 1HH1 ARG 12 2HH2 ARG 12 -5.981 -0.804 8.654 102 2HH1 ARG 12 1HH2 ARG 12 -4.842 0.545 8.506 103 1HH2 ARG 12 2HH1 ARG 12 -6.452 2.314 6.189 104 2HH2 ARG 12 1HH1 ARG 12 -5.091 2.079 7.305 105 HA PRO 13 HA PRO 13 -6.126 -0.155 0.428 106 1HB PRO 13 1HB PRO 13 -7.264 2.378 0.252 107 2HB PRO 13 2HB PRO 13 -7.984 0.873 -0.381 108 1HG PRO 13 1HG PRO 13 -8.516 2.176 2.314 109 2HG PRO 13 2HG PRO 13 -9.709 1.575 1.105 110 1HD PRO 13 1HD PRO 13 -9.106 -0.005 3.142 111 2HD PRO 13 2HD PRO 13 -9.011 -0.693 1.478 112 H VAL 14 H VAL 14 -4.274 0.430 0.444 113 HA VAL 14 HA VAL 14 -3.090 2.592 2.178 114 HB VAL 14 HB VAL 14 -2.443 -0.360 1.988 115 1HG1 VAL 14 1HG1 VAL 14 -0.332 -0.065 3.112 116 2HG1 VAL 14 2HG1 VAL 14 -0.283 0.642 1.510 117 3HG1 VAL 14 3HG1 VAL 14 -0.446 1.715 2.918 118 1HG2 VAL 14 1HG2 VAL 14 -2.165 0.034 4.491 119 2HG2 VAL 14 2HG2 VAL 14 -2.733 1.669 4.231 120 3HG2 VAL 14 3HG2 VAL 14 -3.803 0.311 3.867 121 H LEU 15 H LEU 15 -1.410 3.749 1.366 122 HA LEU 15 HA LEU 15 -0.470 3.156 -1.413 123 1HB LEU 15 1HB LEU 15 -2.274 4.731 -1.468 124 2HB LEU 15 2HB LEU 15 -1.570 5.736 -0.219 125 HG LEU 15 HG LEU 15 0.014 5.342 -2.760 126 1HD1 LEU 15 1HD1 LEU 15 -2.247 5.791 -3.591 127 2HD1 LEU 15 2HD1 LEU 15 -2.395 7.188 -2.505 128 3HD1 LEU 15 3HD1 LEU 15 -1.213 7.201 -3.835 129 1HD2 LEU 15 1HD2 LEU 15 0.881 6.781 -0.848 130 2HD2 LEU 15 2HD2 LEU 15 0.678 7.652 -2.371 131 3HD2 LEU 15 3HD2 LEU 15 -0.520 7.832 -1.076 132 H SER 16 H SER 16 1.551 4.112 -1.949 133 HA SER 16 HA SER 16 3.223 5.271 0.207 134 1HB SER 16 1HB SER 16 4.058 3.083 0.253 135 2HB SER 16 2HB SER 16 4.044 2.937 -1.506 136 HG SER 16 HG SER 16 6.117 3.383 -0.869 137 HA PRO 17 HA PRO 17 3.371 8.364 -3.043 138 1HB PRO 17 1HB PRO 17 5.896 9.140 -1.570 139 2HB PRO 17 2HB PRO 17 4.591 10.196 -2.202 140 1HG PRO 17 1HG PRO 17 4.646 9.565 0.417 141 2HG PRO 17 2HG PRO 17 3.091 9.487 -0.474 142 1HD PRO 17 1HD PRO 17 4.942 7.207 0.254 143 2HD PRO 17 2HD PRO 17 3.159 7.320 0.365 144 H LYS 18 H LYS 18 5.796 5.991 -2.731 145 HA LYS 18 HA LYS 18 7.527 6.854 -4.981 146 1HB LYS 18 1HB LYS 18 7.340 4.286 -3.347 147 2HB LYS 18 2HB LYS 18 8.353 4.456 -4.771 148 1HG LYS 18 1HG LYS 18 9.781 4.812 -2.974 149 2HG LYS 18 2HG LYS 18 9.538 6.389 -3.697 150 1HD LYS 18 1HD LYS 18 8.246 7.179 -1.892 151 2HD LYS 18 2HD LYS 18 7.838 5.557 -1.318 152 1HE LYS 18 1HE LYS 18 10.712 6.505 -1.368 153 2HE LYS 18 2HE LYS 18 9.651 6.966 -0.032 154 1HZ LYS 18 1HZ LYS 18 9.951 4.117 -0.815 155 2HZ LYS 18 2HZ LYS 18 10.957 4.817 0.287 156 3HZ LYS 18 3HZ LYS 18 9.356 4.699 0.558 157 H SER 19 H SER 19 5.191 4.170 -4.463 158 HA SER 19 HA SER 19 4.974 3.546 -7.289 159 1HB SER 19 1HB SER 19 3.324 2.649 -4.887 160 2HB SER 19 2HB SER 19 3.340 1.904 -6.496 161 HG SER 19 HG SER 19 4.721 0.879 -4.902 162 H ARG 20 H ARG 20 3.076 5.312 -4.899 163 HA ARG 20 HA ARG 20 1.094 6.409 -4.842 164 1HB ARG 20 1HB ARG 20 1.783 7.104 -7.717 165 2HB ARG 20 2HB ARG 20 0.521 7.891 -6.762 166 1HG ARG 20 1HG ARG 20 2.142 8.605 -5.083 167 2HG ARG 20 2HG ARG 20 3.443 7.774 -5.945 168 1HD ARG 20 1HD ARG 20 1.828 10.104 -7.040 169 2HD ARG 20 2HD ARG 20 3.423 10.238 -6.311 170 HE ARG 20 HE ARG 20 2.806 9.386 -9.009 171 1HH1 ARG 20 2HH2 ARG 20 5.271 8.873 -6.524 172 2HH1 ARG 20 1HH2 ARG 20 6.440 8.410 -7.725 173 1HH2 ARG 20 2HH1 ARG 20 4.375 8.807 -10.429 174 2HH2 ARG 20 1HH1 ARG 20 5.973 8.430 -9.852 175 H THR 21 H THR 21 1.138 3.538 -6.134 176 HA THR 21 HA THR 21 -1.542 3.210 -7.210 177 HB THR 21 HB THR 21 -0.924 0.813 -6.933 178 HG1 THR 21 1HG THR 21 1.130 0.325 -6.171 179 1HG2 THR 21 1HG2 THR 21 0.908 0.674 -8.505 180 2HG2 THR 21 2HG2 THR 21 -0.079 2.077 -8.968 181 3HG2 THR 21 3HG2 THR 21 1.462 2.310 -8.100 182 H ILE 22 H ILE 22 -2.949 1.449 -5.911 183 HA ILE 22 HA ILE 22 -2.739 1.931 -2.974 184 HB ILE 22 HB ILE 22 -5.312 1.674 -4.514 185 1HG1 ILE 22 1HG1 ILE 22 -4.158 4.080 -3.019 186 2HG1 ILE 22 2HG1 ILE 22 -4.251 3.929 -4.774 187 1HG2 ILE 22 1HG2 ILE 22 -6.404 1.998 -2.322 188 2HG2 ILE 22 2HG2 ILE 22 -5.358 0.591 -2.258 189 3HG2 ILE 22 3HG2 ILE 22 -4.814 2.123 -1.537 190 1HD1 ILE 22 1HD1 ILE 22 -6.608 4.179 -2.878 191 2HD1 ILE 22 2HD1 ILE 22 -6.050 5.329 -4.097 192 3HD1 ILE 22 3HD1 ILE 22 -6.750 3.783 -4.609 193 H PHE 23 H PHE 23 -2.239 0.185 -2.021 194 HA PHE 23 HA PHE 23 -3.151 -2.475 -2.981 195 1HB PHE 23 1HB PHE 23 -0.979 -3.168 -1.451 196 2HB PHE 23 2HB PHE 23 -0.970 -3.059 -3.195 197 HD1 PHE 23 1HD PHE 23 0.815 -1.928 -4.113 198 HD2 PHE 23 2HD PHE 23 -0.500 -0.905 -0.218 199 HE1 PHE 23 1HE PHE 23 2.399 -0.019 -4.147 200 HE2 PHE 23 2HE PHE 23 1.078 1.102 -0.214 201 HZ PHE 23 HZ PHE 23 2.516 1.512 -2.191 202 H GLU 24 H GLU 24 -3.032 -4.110 -1.257 203 HA GLU 24 HA GLU 24 -4.695 -3.079 0.901 204 1HB GLU 24 1HB GLU 24 -5.592 -4.950 0.067 205 2HB GLU 24 2HB GLU 24 -4.114 -5.848 -0.002 206 1HG GLU 24 1HG GLU 24 -4.055 -6.092 2.430 207 2HG GLU 24 2HG GLU 24 -5.435 -4.997 2.605 208 H LYS 25 H LYS 25 -3.949 -2.745 3.058 209 HA LYS 25 HA LYS 25 -1.368 -2.174 3.766 210 1HB LYS 25 1HB LYS 25 -3.458 -1.684 5.087 211 2HB LYS 25 2HB LYS 25 -3.496 -3.359 5.614 212 1HG LYS 25 1HG LYS 25 -1.350 -3.136 6.757 213 2HG LYS 25 2HG LYS 25 -1.111 -1.512 6.083 214 1HD LYS 25 1HD LYS 25 -3.099 -0.709 7.295 215 2HD LYS 25 2HD LYS 25 -3.349 -2.304 8.010 216 1HE LYS 25 1HE LYS 25 -0.793 -0.665 8.360 217 2HE LYS 25 2HE LYS 25 -2.175 -0.550 9.449 218 1HZ LYS 25 1HZ LYS 25 -1.912 -2.957 9.898 219 2HZ LYS 25 2HZ LYS 25 -0.535 -3.010 9.011 220 3HZ LYS 25 3HZ LYS 25 -0.605 -2.100 10.347 221 H SER 26 H SER 26 -3.097 -5.211 4.191 222 HA SER 26 HA SER 26 -1.153 -6.487 5.665 223 1HB SER 26 1HB SER 26 -3.171 -7.849 3.845 224 2HB SER 26 2HB SER 26 -2.343 -8.589 5.229 225 HG SER 26 HG SER 26 -4.401 -7.835 5.845 226 H LEU 27 H LEU 27 -1.391 -6.224 2.174 227 HA LEU 27 HA LEU 27 0.581 -8.300 1.538 228 1HB LEU 27 1HB LEU 27 -0.103 -6.067 -0.347 229 2HB LEU 27 2HB LEU 27 0.263 -7.755 -0.678 230 HG LEU 27 HG LEU 27 -2.326 -6.767 0.487 231 1HD1 LEU 27 1HD1 LEU 27 -3.212 -7.017 -1.778 232 2HD1 LEU 27 2HD1 LEU 27 -1.884 -5.840 -1.705 233 3HD1 LEU 27 3HD1 LEU 27 -1.584 -7.469 -2.345 234 1HD2 LEU 27 1HD2 LEU 27 -1.940 -9.122 1.004 235 2HD2 LEU 27 2HD2 LEU 27 -3.246 -8.935 -0.173 236 3HD2 LEU 27 3HD2 LEU 27 -1.629 -9.465 -0.712 237 H LEU 28 H LEU 28 0.467 -4.740 1.754 238 HA LEU 28 HA LEU 28 3.163 -4.300 0.847 239 1HB LEU 28 1HB LEU 28 1.374 -2.531 0.931 240 2HB LEU 28 2HB LEU 28 1.565 -2.493 2.686 241 HG LEU 28 HG LEU 28 4.095 -2.020 2.244 242 1HD1 LEU 28 1HD1 LEU 28 4.268 -2.645 -0.088 243 2HD1 LEU 28 2HD1 LEU 28 2.965 -1.522 -0.544 244 3HD1 LEU 28 3HD1 LEU 28 4.524 -0.908 0.030 245 1HD2 LEU 28 1HD2 LEU 28 1.987 -0.004 1.448 246 2HD2 LEU 28 2HD2 LEU 28 2.579 -0.338 3.084 247 3HD2 LEU 28 3HD2 LEU 28 3.661 0.382 1.881 248 H GLU 29 H GLU 29 1.682 -4.590 4.076 249 HA GLU 29 HA GLU 29 3.949 -4.335 5.733 250 1HB GLU 29 1HB GLU 29 1.548 -4.332 6.383 251 2HB GLU 29 2HB GLU 29 1.507 -6.092 6.183 252 1HG GLU 29 1HG GLU 29 3.208 -6.325 7.959 253 2HG GLU 29 2HG GLU 29 3.339 -4.567 8.094 254 H GLN 30 H GLN 30 2.667 -7.261 4.112 255 HA GLN 30 HA GLN 30 4.629 -9.105 5.126 256 1HB GLN 30 1HB GLN 30 2.475 -9.615 3.841 257 2HB GLN 30 2HB GLN 30 3.348 -9.224 2.365 258 1HG GLN 30 1HG GLN 30 5.039 -10.984 2.910 259 2HG GLN 30 2HG GLN 30 4.130 -11.380 4.375 260 1HE2 GLN 30 1HE2 GLN 30 4.294 -11.807 0.877 261 2HE2 GLN 30 2HE2 GLN 30 2.888 -12.860 0.790 262 H TYR 31 H TYR 31 4.595 -7.065 2.202 263 HA TYR 31 HA TYR 31 7.043 -8.101 1.072 264 1HB TYR 31 1HB TYR 31 5.125 -7.130 -0.185 265 2HB TYR 31 2HB TYR 31 5.485 -5.554 0.504 266 HD1 TYR 31 1HD TYR 31 7.370 -8.301 -1.254 267 HD2 TYR 31 2HD TYR 31 6.581 -4.088 -0.951 268 HE1 TYR 31 1HE TYR 31 8.780 -7.862 -3.309 269 HE2 TYR 31 2HE TYR 31 8.119 -3.686 -2.868 270 HH TYR 31 HH TYR 31 9.694 -6.306 -4.676 271 H VAL 32 H VAL 32 6.262 -5.340 3.080 272 HA VAL 32 HA VAL 32 8.888 -4.224 2.844 273 HB VAL 32 HB VAL 32 6.633 -3.048 3.148 274 1HG1 VAL 32 1HG1 VAL 32 7.215 -3.266 6.136 275 2HG1 VAL 32 2HG1 VAL 32 5.806 -2.535 5.330 276 3HG1 VAL 32 3HG1 VAL 32 6.053 -4.280 5.277 277 1HG2 VAL 32 1HG2 VAL 32 8.992 -2.079 4.837 278 2HG2 VAL 32 2HG2 VAL 32 8.607 -1.674 3.136 279 3HG2 VAL 32 3HG2 VAL 32 7.560 -1.123 4.443 280 H LYS 33 H LYS 33 7.489 -6.436 4.978 281 HA LYS 33 HA LYS 33 9.717 -6.433 6.982 282 1HB LYS 33 1HB LYS 33 7.332 -8.292 6.556 283 2HB LYS 33 2HB LYS 33 8.564 -8.527 7.813 284 1HG LYS 33 1HG LYS 33 8.057 -6.363 8.810 285 2HG LYS 33 2HG LYS 33 6.963 -5.971 7.486 286 1HD LYS 33 1HD LYS 33 5.632 -6.589 9.393 287 2HD LYS 33 2HD LYS 33 5.465 -7.853 8.164 288 1HE LYS 33 1HE LYS 33 7.133 -9.247 9.376 289 2HE LYS 33 2HE LYS 33 7.328 -7.970 10.584 290 1HZ LYS 33 1HZ LYS 33 4.798 -9.441 10.057 291 2HZ LYS 33 2HZ LYS 33 5.777 -9.682 11.339 292 3HZ LYS 33 3HZ LYS 33 4.984 -8.265 11.180 293 H ASP 34 H ASP 34 8.891 -7.850 4.073 294 HA ASP 34 HA ASP 34 10.745 -10.134 4.021 295 1HB ASP 34 1HB ASP 34 8.726 -9.001 2.254 296 2HB ASP 34 2HB ASP 34 10.165 -9.281 1.333 297 H THR 35 H THR 35 10.728 -7.036 2.269 298 HA THR 35 HA THR 35 13.749 -7.004 2.173 299 HB THR 35 HB THR 35 13.620 -6.086 -0.092 300 HG1 THR 35 1HG THR 35 10.875 -6.796 -0.030 301 1HG2 THR 35 1HG2 THR 35 12.130 -8.742 0.030 302 2HG2 THR 35 2HG2 THR 35 13.026 -8.075 -1.348 303 3HG2 THR 35 3HG2 THR 35 13.894 -8.539 0.130 304 H GLY 36 H GLY 36 10.760 -5.279 2.599 305 1HA GLY 36 1HA GLY 36 10.485 -3.142 3.516 306 2HA GLY 36 2HA GLY 36 12.166 -2.756 3.231 307 H ASN 37 H ASN 37 11.405 -4.039 0.323 308 HA ASN 37 HA ASN 37 11.621 -1.509 -0.949 309 1HB ASN 37 1HB ASN 37 10.836 -4.273 -1.945 310 2HB ASN 37 2HB ASN 37 11.164 -2.923 -3.000 311 1HD2 ASN 37 1HD2 ASN 37 12.634 -5.180 -3.348 312 2HD2 ASN 37 2HD2 ASN 37 14.278 -4.859 -2.816 313 H ASP 38 H ASP 38 10.263 -0.306 -2.221 314 HA ASP 38 HA ASP 38 7.345 -0.473 -1.915 315 1HB ASP 38 1HB ASP 38 9.205 1.251 -3.593 316 2HB ASP 38 2HB ASP 38 7.451 1.336 -3.737 317 HA PRO 39 HA PRO 39 7.108 -3.727 -4.904 318 1HB PRO 39 1HB PRO 39 4.460 -3.743 -5.617 319 2HB PRO 39 2HB PRO 39 5.094 -4.218 -4.011 320 1HG PRO 39 1HG PRO 39 4.020 -1.511 -4.850 321 2HG PRO 39 2HG PRO 39 3.505 -2.495 -3.443 322 1HD PRO 39 1HD PRO 39 5.314 -0.528 -3.119 323 2HD PRO 39 2HD PRO 39 5.569 -2.105 -2.309 324 H ILE 40 H ILE 40 6.985 -0.588 -6.098 325 HA ILE 40 HA ILE 40 6.736 -1.503 -8.964 326 HB ILE 40 HB ILE 40 6.064 1.218 -7.803 327 1HG1 ILE 40 1HG1 ILE 40 4.264 -0.360 -7.340 328 2HG1 ILE 40 2HG1 ILE 40 3.777 0.815 -8.548 329 1HG2 ILE 40 1HG2 ILE 40 5.289 1.758 -10.134 330 2HG2 ILE 40 2HG2 ILE 40 7.035 1.595 -9.961 331 3HG2 ILE 40 3HG2 ILE 40 6.104 0.280 -10.695 332 1HD1 ILE 40 1HD1 ILE 40 4.537 -2.090 -9.066 333 2HD1 ILE 40 2HD1 ILE 40 2.921 -1.362 -9.155 334 3HD1 ILE 40 3HD1 ILE 40 4.152 -0.909 -10.340 335 H THR 41 H THR 41 8.315 0.900 -6.866 336 HA THR 41 HA THR 41 10.457 1.356 -8.837 337 HB THR 41 HB THR 41 11.294 3.047 -7.254 338 HG1 THR 41 1HG THR 41 8.927 2.326 -5.929 339 1HG2 THR 41 1HG2 THR 41 8.307 3.303 -7.876 340 2HG2 THR 41 2HG2 THR 41 9.422 4.619 -7.463 341 3HG2 THR 41 3HG2 THR 41 9.642 3.718 -8.973 342 H ASN 42 H ASN 42 10.008 -0.731 -6.191 343 HA ASN 42 HA ASN 42 11.162 -1.823 -4.731 344 1HB ASN 42 1HB ASN 42 12.446 -3.400 -5.481 345 2HB ASN 42 2HB ASN 42 11.989 -2.779 -7.058 346 1HD2 ASN 42 1HD2 ASN 42 13.779 -0.589 -7.368 347 2HD2 ASN 42 2HD2 ASN 42 15.409 -1.269 -7.371 348 H GLU 43 H GLU 43 11.480 1.086 -4.619 349 HA GLU 43 HA GLU 43 14.067 1.729 -3.559 350 1HB GLU 43 1HB GLU 43 11.306 2.902 -3.207 351 2HB GLU 43 2HB GLU 43 12.747 3.629 -2.490 352 1HG GLU 43 1HG GLU 43 12.909 2.977 -5.428 353 2HG GLU 43 2HG GLU 43 11.762 4.202 -4.958 354 HA PRO 44 HA PRO 44 13.732 -0.716 0.228 355 1HB PRO 44 1HB PRO 44 15.924 1.173 1.103 356 2HB PRO 44 2HB PRO 44 15.808 -0.604 1.314 357 1HG PRO 44 1HG PRO 44 17.350 0.427 -0.652 358 2HG PRO 44 2HG PRO 44 16.290 -0.977 -1.001 359 1HD PRO 44 1HD PRO 44 15.789 1.948 -1.615 360 2HD PRO 44 2HD PRO 44 15.549 0.507 -2.651 361 H LEU 45 H LEU 45 12.265 -0.487 1.682 362 HA LEU 45 HA LEU 45 11.096 0.054 3.488 363 1HB LEU 45 1HB LEU 45 12.895 2.441 3.813 364 2HB LEU 45 2HB LEU 45 11.498 2.166 4.836 365 HG LEU 45 HG LEU 45 13.543 -0.052 4.448 366 1HD1 LEU 45 1HD1 LEU 45 14.792 1.941 5.201 367 2HD1 LEU 45 2HD1 LEU 45 13.638 2.173 6.535 368 3HD1 LEU 45 3HD1 LEU 45 14.676 0.730 6.491 369 1HD2 LEU 45 1HD2 LEU 45 12.763 -0.742 6.673 370 2HD2 LEU 45 2HD2 LEU 45 11.642 0.631 6.728 371 3HD2 LEU 45 3HD2 LEU 45 11.413 -0.670 5.540 372 H SER 46 H SER 46 9.148 0.767 3.767 373 HA SER 46 HA SER 46 7.903 2.507 1.697 374 1HB SER 46 1HB SER 46 7.924 0.002 1.143 375 2HB SER 46 2HB SER 46 6.773 -0.187 2.455 376 HG SER 46 HG SER 46 6.494 1.389 0.107 377 H ILE 47 H ILE 47 7.251 0.500 4.506 378 HA ILE 47 HA ILE 47 5.173 1.892 5.669 379 HB ILE 47 HB ILE 47 6.090 -0.385 6.276 380 1HG1 ILE 47 1HG1 ILE 47 5.652 -0.284 8.745 381 2HG1 ILE 47 2HG1 ILE 47 5.503 1.467 8.613 382 1HG2 ILE 47 1HG2 ILE 47 7.868 -0.654 7.878 383 2HG2 ILE 47 2HG2 ILE 47 8.491 0.276 6.516 384 3HG2 ILE 47 3HG2 ILE 47 8.076 1.099 8.037 385 1HD1 ILE 47 1HD1 ILE 47 3.303 0.296 8.521 386 2HD1 ILE 47 2HD1 ILE 47 3.636 1.184 7.027 387 3HD1 ILE 47 3HD1 ILE 47 3.842 -0.575 7.064 388 H GLU 48 H GLU 48 8.477 2.757 5.818 389 HA GLU 48 HA GLU 48 8.280 4.878 7.794 390 1HB GLU 48 1HB GLU 48 10.301 4.321 5.584 391 2HB GLU 48 2HB GLU 48 10.487 5.579 6.804 392 1HG GLU 48 1HG GLU 48 10.306 2.592 7.404 393 2HG GLU 48 2HG GLU 48 11.787 3.530 7.302 394 H GLU 49 H GLU 49 6.994 4.517 4.721 395 HA GLU 49 HA GLU 49 6.644 7.468 4.391 396 1HB GLU 49 1HB GLU 49 8.390 6.165 2.810 397 2HB GLU 49 2HB GLU 49 6.921 5.685 1.973 398 1HG GLU 49 1HG GLU 49 7.727 7.610 0.852 399 2HG GLU 49 2HG GLU 49 6.353 8.187 1.778 400 H ILE 50 H ILE 50 5.045 4.845 5.153 401 HA ILE 50 HA ILE 50 3.032 4.508 3.280 402 HB ILE 50 HB ILE 50 3.573 3.010 5.154 403 1HG1 ILE 50 1HG1 ILE 50 0.590 3.527 4.985 404 2HG1 ILE 50 2HG1 ILE 50 1.538 2.849 3.656 405 1HG2 ILE 50 1HG2 ILE 50 1.660 4.669 6.856 406 2HG2 ILE 50 2HG2 ILE 50 2.586 3.248 7.355 407 3HG2 ILE 50 3HG2 ILE 50 3.427 4.758 7.006 408 1HD1 ILE 50 1HD1 ILE 50 1.314 1.593 6.423 409 2HD1 ILE 50 2HD1 ILE 50 0.458 1.075 4.976 410 3HD1 ILE 50 3HD1 ILE 50 2.225 0.953 5.029 411 H VAL 51 H VAL 51 1.192 5.198 2.822 412 HA VAL 51 HA VAL 51 -0.236 7.354 4.360 413 HB VAL 51 HB VAL 51 -0.176 7.064 1.334 414 1HG1 VAL 51 1HG1 VAL 51 -2.374 7.881 2.124 415 2HG1 VAL 51 2HG1 VAL 51 -1.571 9.112 3.120 416 3HG1 VAL 51 3HG1 VAL 51 -1.473 9.183 1.346 417 1HG2 VAL 51 1HG2 VAL 51 0.918 9.278 1.359 418 2HG2 VAL 51 2HG2 VAL 51 0.969 9.243 3.136 419 3HG2 VAL 51 3HG2 VAL 51 1.912 8.080 2.182 420 H GLU 52 H GLU 52 -1.421 5.793 5.535 421 HA GLU 52 HA GLU 52 -2.962 3.760 4.076 422 1HB GLU 52 1HB GLU 52 -3.491 4.647 6.925 423 2HB GLU 52 2HB GLU 52 -3.983 3.173 6.074 424 1HG GLU 52 1HG GLU 52 -1.608 2.430 6.015 425 2HG GLU 52 2HG GLU 52 -1.166 3.864 6.950 426 H ILE 53 H ILE 53 -5.056 3.799 3.462 427 HA ILE 53 HA ILE 53 -6.671 6.290 3.826 428 HB ILE 53 HB ILE 53 -7.010 4.029 1.817 429 1HG1 ILE 53 1HG1 ILE 53 -6.533 6.213 0.266 430 2HG1 ILE 53 2HG1 ILE 53 -5.558 6.663 1.654 431 1HG2 ILE 53 1HG2 ILE 53 -8.489 6.676 2.089 432 2HG2 ILE 53 2HG2 ILE 53 -8.629 5.559 0.713 433 3HG2 ILE 53 3HG2 ILE 53 -9.170 5.036 2.295 434 1HD1 ILE 53 1HD1 ILE 53 -4.270 4.523 1.383 435 2HD1 ILE 53 2HD1 ILE 53 -5.325 4.085 0.022 436 3HD1 ILE 53 3HD1 ILE 53 -4.258 5.499 -0.092 437 H VAL 54 H VAL 54 -8.881 6.025 4.477 438 HA VAL 54 HA VAL 54 -9.586 3.499 5.870 439 HB VAL 54 HB VAL 54 -10.495 4.858 7.777 440 1HG1 VAL 54 1HG1 VAL 54 -8.372 5.046 8.943 441 2HG1 VAL 54 2HG1 VAL 54 -8.393 3.580 7.952 442 3HG1 VAL 54 3HG1 VAL 54 -7.480 5.007 7.410 443 1HG2 VAL 54 1HG2 VAL 54 -10.481 7.110 6.689 444 2HG2 VAL 54 2HG2 VAL 54 -9.619 7.074 8.231 445 3HG2 VAL 54 3HG2 VAL 54 -8.705 7.089 6.714 446 HA PRO 55 HA PRO 55 -13.529 3.777 4.009 447 1HB PRO 55 1HB PRO 55 -14.724 3.330 6.753 448 2HB PRO 55 2HB PRO 55 -15.125 2.524 5.204 449 1HG PRO 55 1HG PRO 55 -13.534 1.278 6.997 450 2HG PRO 55 2HG PRO 55 -13.090 1.261 5.254 451 1HD PRO 55 1HD PRO 55 -11.997 3.023 7.458 452 2HD PRO 55 2HD PRO 55 -11.134 2.157 6.155 453 H SER 56 H SER 56 -13.263 5.705 6.997 454 HA SER 56 HA SER 56 -15.475 7.506 6.476 455 1HB SER 56 1HB SER 56 -14.426 8.862 8.267 456 2HB SER 56 2HB SER 56 -14.664 7.168 8.734 457 HG SER 56 HG SER 56 -12.570 7.949 9.297 Start of MODEL 10 1 H MET 1 H MET 1 -7.109 2.447 -8.027 2 HA MET 1 HA MET 1 -7.196 1.745 -5.721 3 1HB MET 1 1HB MET 1 -9.359 2.424 -6.804 4 2HB MET 1 2HB MET 1 -9.717 0.720 -7.088 5 1HG MET 1 1HG MET 1 -10.908 1.595 -5.144 6 2HG MET 1 2HG MET 1 -9.807 0.313 -4.673 7 1HE MET 1 1HE MET 1 -9.969 0.886 -2.128 8 2HE MET 1 2HE MET 1 -9.841 2.535 -1.474 9 3HE MET 1 3HE MET 1 -11.188 2.108 -2.549 10 H LEU 2 H LEU 2 -6.709 -0.733 -7.899 11 HA LEU 2 HA LEU 2 -6.884 -2.873 -5.838 12 1HB LEU 2 1HB LEU 2 -7.034 -4.495 -7.493 13 2HB LEU 2 2HB LEU 2 -8.123 -3.226 -8.012 14 HG LEU 2 HG LEU 2 -5.331 -3.790 -9.142 15 1HD1 LEU 2 1HD1 LEU 2 -7.030 -5.490 -9.716 16 2HD1 LEU 2 2HD1 LEU 2 -8.103 -4.218 -10.332 17 3HD1 LEU 2 3HD1 LEU 2 -6.552 -4.544 -11.131 18 1HD2 LEU 2 1HD2 LEU 2 -6.022 -2.234 -10.990 19 2HD2 LEU 2 2HD2 LEU 2 -7.437 -1.758 -10.024 20 3HD2 LEU 2 3HD2 LEU 2 -5.783 -1.414 -9.454 21 H CYS 3 H CYS 3 -5.247 -4.168 -5.208 22 HA CYS 3 HA CYS 3 -2.972 -2.800 -4.848 23 1HB CYS 3 1HB CYS 3 -3.142 -5.812 -4.446 24 2HB CYS 3 2HB CYS 3 -2.354 -4.636 -3.478 25 HG CYS 3 HG CYS 3 -4.565 -6.138 -2.765 26 H ALA 4 H ALA 4 -0.848 -2.908 -5.197 27 HA ALA 4 HA ALA 4 0.023 -3.467 -7.924 28 1HB ALA 4 1HB ALA 4 1.817 -3.164 -5.485 29 2HB ALA 4 2HB ALA 4 2.243 -2.949 -7.183 30 3HB ALA 4 3HB ALA 4 1.141 -1.815 -6.403 31 H ILE 5 H ILE 5 0.168 -5.064 -4.833 32 HA ILE 5 HA ILE 5 2.161 -7.073 -5.481 33 HB ILE 5 HB ILE 5 0.545 -6.345 -3.018 34 1HG1 ILE 5 1HG1 ILE 5 3.539 -6.221 -3.584 35 2HG1 ILE 5 2HG1 ILE 5 2.432 -4.884 -3.887 36 1HG2 ILE 5 1HG2 ILE 5 2.650 -8.578 -3.393 37 2HG2 ILE 5 2HG2 ILE 5 2.091 -8.015 -1.813 38 3HG2 ILE 5 3HG2 ILE 5 0.962 -8.819 -2.902 39 1HD1 ILE 5 1HD1 ILE 5 3.040 -6.086 -1.188 40 2HD1 ILE 5 2HD1 ILE 5 3.504 -4.495 -1.787 41 3HD1 ILE 5 3HD1 ILE 5 1.791 -4.848 -1.487 42 H SER 6 H SER 6 -1.301 -7.398 -4.546 43 HA SER 6 HA SER 6 -1.330 -9.975 -6.068 44 1HB SER 6 1HB SER 6 -2.925 -9.466 -3.571 45 2HB SER 6 2HB SER 6 -2.914 -10.937 -4.544 46 HG SER 6 HG SER 6 -0.703 -11.205 -4.054 47 H GLY 7 H GLY 7 -2.740 -6.893 -6.044 48 1HA GLY 7 1HA GLY 7 -4.250 -6.052 -7.625 49 2HA GLY 7 2HA GLY 7 -4.264 -7.672 -8.317 50 H LYS 8 H LYS 8 -5.000 -7.484 -5.117 51 HA LYS 8 HA LYS 8 -7.724 -8.521 -5.327 52 1HB LYS 8 1HB LYS 8 -6.040 -9.416 -3.831 53 2HB LYS 8 2HB LYS 8 -5.717 -7.833 -3.130 54 1HG LYS 8 1HG LYS 8 -7.937 -7.853 -2.066 55 2HG LYS 8 2HG LYS 8 -8.321 -9.409 -2.838 56 1HD LYS 8 1HD LYS 8 -6.353 -10.399 -1.639 57 2HD LYS 8 2HD LYS 8 -6.093 -8.851 -0.826 58 1HE LYS 8 1HE LYS 8 -8.615 -10.581 -0.649 59 2HE LYS 8 2HE LYS 8 -7.354 -10.483 0.585 60 1HZ LYS 8 1HZ LYS 8 -9.196 -9.035 1.148 61 2HZ LYS 8 2HZ LYS 8 -7.871 -8.114 0.843 62 3HZ LYS 8 3HZ LYS 8 -9.076 -8.209 -0.259 63 H VAL 9 H VAL 9 -9.479 -7.628 -4.010 64 HA VAL 9 HA VAL 9 -9.797 -4.682 -4.135 65 HB VAL 9 HB VAL 9 -11.685 -6.828 -3.071 66 1HG1 VAL 9 1HG1 VAL 9 -13.380 -5.015 -3.155 67 2HG1 VAL 9 2HG1 VAL 9 -12.101 -4.631 -2.006 68 3HG1 VAL 9 3HG1 VAL 9 -12.120 -3.845 -3.602 69 1HG2 VAL 9 1HG2 VAL 9 -11.383 -6.990 -5.517 70 2HG2 VAL 9 2HG2 VAL 9 -12.982 -6.348 -5.129 71 3HG2 VAL 9 3HG2 VAL 9 -11.700 -5.249 -5.687 72 HA PRO 10 HA PRO 10 -7.507 -5.064 -0.297 73 1HB PRO 10 1HB PRO 10 -7.060 -2.452 0.344 74 2HB PRO 10 2HB PRO 10 -6.227 -3.303 -0.986 75 1HG PRO 10 1HG PRO 10 -8.676 -1.521 -1.190 76 2HG PRO 10 2HG PRO 10 -7.172 -1.457 -2.165 77 1HD PRO 10 1HD PRO 10 -9.396 -2.743 -3.053 78 2HD PRO 10 2HD PRO 10 -7.760 -3.398 -3.356 79 H ARG 11 H ARG 11 -8.225 -5.599 1.606 80 HA ARG 11 HA ARG 11 -10.673 -4.744 2.892 81 1HB ARG 11 1HB ARG 11 -9.101 -6.857 3.212 82 2HB ARG 11 2HB ARG 11 -8.285 -5.868 4.406 83 1HG ARG 11 1HG ARG 11 -11.240 -6.667 4.415 84 2HG ARG 11 2HG ARG 11 -9.947 -7.455 5.303 85 1HD ARG 11 1HD ARG 11 -10.848 -6.186 6.975 86 2HD ARG 11 2HD ARG 11 -9.561 -5.129 6.428 87 HE ARG 11 HE ARG 11 -11.147 -3.654 5.467 88 1HH1 ARG 11 2HH2 ARG 11 -12.903 -6.409 6.745 89 2HH1 ARG 11 1HH2 ARG 11 -14.435 -5.581 6.628 90 1HH2 ARG 11 2HH1 ARG 11 -13.083 -2.681 5.355 91 2HH2 ARG 11 1HH1 ARG 11 -14.527 -3.517 5.855 92 H ARG 12 H ARG 12 -7.285 -3.814 3.352 93 HA ARG 12 HA ARG 12 -8.171 -1.130 4.412 94 1HB ARG 12 1HB ARG 12 -5.784 -2.787 5.283 95 2HB ARG 12 2HB ARG 12 -5.943 -1.054 5.584 96 1HG ARG 12 1HG ARG 12 -8.140 -1.541 6.776 97 2HG ARG 12 2HG ARG 12 -7.777 -3.258 6.597 98 1HD ARG 12 1HD ARG 12 -7.057 -2.638 8.786 99 2HD ARG 12 2HD ARG 12 -5.605 -2.863 7.821 100 HE ARG 12 HE ARG 12 -5.187 -0.504 7.865 101 1HH1 ARG 12 2HH2 ARG 12 -8.206 -1.093 9.585 102 2HH1 ARG 12 1HH2 ARG 12 -8.096 0.494 10.339 103 1HH2 ARG 12 2HH1 ARG 12 -5.151 1.426 8.948 104 2HH2 ARG 12 1HH1 ARG 12 -6.498 1.774 10.028 105 HA PRO 13 HA PRO 13 -6.021 -0.296 0.422 106 1HB PRO 13 1HB PRO 13 -7.257 2.226 0.123 107 2HB PRO 13 2HB PRO 13 -7.760 0.683 -0.610 108 1HG PRO 13 1HG PRO 13 -8.755 1.963 1.941 109 2HG PRO 13 2HG PRO 13 -9.711 1.171 0.644 110 1HD PRO 13 1HD PRO 13 -9.205 -0.240 2.835 111 2HD PRO 13 2HD PRO 13 -8.856 -0.981 1.232 112 H VAL 14 H VAL 14 -4.144 0.341 0.499 113 HA VAL 14 HA VAL 14 -3.121 2.601 2.188 114 HB VAL 14 HB VAL 14 -2.550 -0.330 2.281 115 1HG1 VAL 14 1HG1 VAL 14 -0.378 0.348 1.458 116 2HG1 VAL 14 2HG1 VAL 14 -0.270 1.629 2.682 117 3HG1 VAL 14 3HG1 VAL 14 -0.293 -0.098 3.150 118 1HG2 VAL 14 1HG2 VAL 14 -2.152 1.930 4.267 119 2HG2 VAL 14 2HG2 VAL 14 -3.644 0.955 4.125 120 3HG2 VAL 14 3HG2 VAL 14 -2.113 0.217 4.632 121 H LEU 15 H LEU 15 -1.386 3.703 1.447 122 HA LEU 15 HA LEU 15 -0.441 3.230 -1.347 123 1HB LEU 15 1HB LEU 15 -2.206 4.872 -1.392 124 2HB LEU 15 2HB LEU 15 -1.604 5.665 0.044 125 HG LEU 15 HG LEU 15 0.390 6.482 -1.254 126 1HD1 LEU 15 1HD1 LEU 15 -1.218 5.468 -3.639 127 2HD1 LEU 15 2HD1 LEU 15 0.198 6.540 -3.717 128 3HD1 LEU 15 3HD1 LEU 15 0.381 4.881 -3.143 129 1HD2 LEU 15 1HD2 LEU 15 -0.857 8.233 -2.430 130 2HD2 LEU 15 2HD2 LEU 15 -2.351 7.278 -2.282 131 3HD2 LEU 15 3HD2 LEU 15 -1.536 7.909 -0.830 132 H SER 16 H SER 16 1.558 4.058 -1.835 133 HA SER 16 HA SER 16 3.257 5.339 0.209 134 1HB SER 16 1HB SER 16 4.127 3.145 0.400 135 2HB SER 16 2HB SER 16 4.032 2.854 -1.343 136 HG SER 16 HG SER 16 6.135 3.347 -0.860 137 HA PRO 17 HA PRO 17 3.122 7.903 -3.410 138 1HB PRO 17 1HB PRO 17 4.897 9.892 -2.752 139 2HB PRO 17 2HB PRO 17 3.300 9.688 -1.975 140 1HG PRO 17 1HG PRO 17 5.991 8.711 -0.979 141 2HG PRO 17 2HG PRO 17 4.739 9.621 -0.072 142 1HD PRO 17 1HD PRO 17 4.941 6.921 0.109 143 2HD PRO 17 2HD PRO 17 3.340 7.720 0.092 144 H LYS 18 H LYS 18 5.783 5.991 -2.703 145 HA LYS 18 HA LYS 18 7.582 6.824 -4.877 146 1HB LYS 18 1HB LYS 18 7.576 4.423 -2.998 147 2HB LYS 18 2HB LYS 18 8.781 4.719 -4.250 148 1HG LYS 18 1HG LYS 18 9.902 5.652 -2.509 149 2HG LYS 18 2HG LYS 18 9.064 7.066 -3.103 150 1HD LYS 18 1HD LYS 18 8.884 7.149 -0.729 151 2HD LYS 18 2HD LYS 18 7.292 6.645 -1.275 152 1HE LYS 18 1HE LYS 18 7.830 5.331 0.624 153 2HE LYS 18 2HE LYS 18 7.944 4.280 -0.786 154 1HZ LYS 18 1HZ LYS 18 9.848 3.920 0.578 155 2HZ LYS 18 2HZ LYS 18 10.348 4.646 -0.756 156 3HZ LYS 18 3HZ LYS 18 10.216 5.532 0.653 157 H SER 19 H SER 19 5.662 3.842 -4.293 158 HA SER 19 HA SER 19 5.689 3.172 -7.169 159 1HB SER 19 1HB SER 19 4.627 1.803 -4.692 160 2HB SER 19 2HB SER 19 4.295 1.200 -6.331 161 HG SER 19 HG SER 19 6.854 1.750 -5.225 162 H ARG 20 H ARG 20 3.652 5.015 -5.176 163 HA ARG 20 HA ARG 20 1.627 5.995 -5.425 164 1HB ARG 20 1HB ARG 20 1.616 7.535 -7.219 165 2HB ARG 20 2HB ARG 20 3.261 7.259 -6.681 166 1HG ARG 20 1HG ARG 20 3.322 5.539 -8.743 167 2HG ARG 20 2HG ARG 20 1.937 6.485 -9.283 168 1HD ARG 20 1HD ARG 20 3.847 7.448 -10.295 169 2HD ARG 20 2HD ARG 20 3.396 8.560 -8.990 170 HE ARG 20 HE ARG 20 5.305 6.662 -7.977 171 1HH1 ARG 20 2HH2 ARG 20 5.345 9.392 -10.172 172 2HH1 ARG 20 1HH2 ARG 20 7.051 9.658 -9.915 173 1HH2 ARG 20 2HH1 ARG 20 7.363 7.006 -7.726 174 2HH2 ARG 20 1HH1 ARG 20 8.192 8.331 -8.533 175 H THR 21 H THR 21 1.035 3.424 -5.521 176 HA THR 21 HA THR 21 -1.576 3.496 -6.927 177 HB THR 21 HB THR 21 -0.118 1.975 -8.290 178 HG1 THR 21 1HG THR 21 -1.560 0.294 -8.271 179 1HG2 THR 21 1HG2 THR 21 1.353 1.179 -6.444 180 2HG2 THR 21 2HG2 THR 21 -0.019 0.214 -5.834 181 3HG2 THR 21 3HG2 THR 21 0.638 -0.074 -7.470 182 H ILE 22 H ILE 22 -3.001 1.554 -5.864 183 HA ILE 22 HA ILE 22 -2.651 1.905 -2.910 184 HB ILE 22 HB ILE 22 -5.241 1.740 -4.441 185 1HG1 ILE 22 1HG1 ILE 22 -3.981 4.092 -2.941 186 2HG1 ILE 22 2HG1 ILE 22 -4.060 3.946 -4.694 187 1HG2 ILE 22 1HG2 ILE 22 -4.729 2.188 -1.467 188 2HG2 ILE 22 2HG2 ILE 22 -6.317 2.109 -2.261 189 3HG2 ILE 22 3HG2 ILE 22 -5.321 0.669 -2.178 190 1HD1 ILE 22 1HD1 ILE 22 -6.543 3.966 -4.597 191 2HD1 ILE 22 2HD1 ILE 22 -6.441 4.279 -2.842 192 3HD1 ILE 22 3HD1 ILE 22 -5.780 5.448 -3.990 193 H PHE 23 H PHE 23 -2.124 0.157 -2.028 194 HA PHE 23 HA PHE 23 -3.030 -2.529 -2.944 195 1HB PHE 23 1HB PHE 23 -0.809 -3.185 -1.544 196 2HB PHE 23 2HB PHE 23 -0.834 -2.988 -3.291 197 HD1 PHE 23 1HD PHE 23 0.869 -1.661 -4.191 198 HD2 PHE 23 2HD PHE 23 -0.363 -1.061 -0.202 199 HE1 PHE 23 1HE PHE 23 2.349 0.344 -4.116 200 HE2 PHE 23 2HE PHE 23 1.077 1.067 -0.080 201 HZ PHE 23 HZ PHE 23 2.411 1.720 -2.060 202 H GLU 24 H GLU 24 -2.875 -4.177 -1.142 203 HA GLU 24 HA GLU 24 -4.554 -3.023 0.896 204 1HB GLU 24 1HB GLU 24 -4.706 -5.483 0.128 205 2HB GLU 24 2HB GLU 24 -3.496 -5.759 1.420 206 1HG GLU 24 1HG GLU 24 -4.962 -4.765 3.083 207 2HG GLU 24 2HG GLU 24 -6.146 -4.366 1.844 208 H LYS 25 H LYS 25 -3.956 -2.721 3.241 209 HA LYS 25 HA LYS 25 -1.329 -2.019 3.993 210 1HB LYS 25 1HB LYS 25 -3.445 -1.499 5.257 211 2HB LYS 25 2HB LYS 25 -3.469 -3.170 5.834 212 1HG LYS 25 1HG LYS 25 -1.310 -2.893 6.955 213 2HG LYS 25 2HG LYS 25 -1.083 -1.300 6.213 214 1HD LYS 25 1HD LYS 25 -3.088 -0.469 7.417 215 2HD LYS 25 2HD LYS 25 -3.234 -2.043 8.236 216 1HE LYS 25 1HE LYS 25 -1.010 -1.749 9.251 217 2HE LYS 25 2HE LYS 25 -0.772 -0.245 8.349 218 1HZ LYS 25 1HZ LYS 25 -2.677 0.698 9.534 219 2HZ LYS 25 2HZ LYS 25 -2.838 -0.667 10.437 220 3HZ LYS 25 3HZ LYS 25 -1.500 0.255 10.584 221 H SER 26 H SER 26 -3.109 -5.057 4.269 222 HA SER 26 HA SER 26 -1.212 -6.582 5.597 223 1HB SER 26 1HB SER 26 -3.102 -7.724 3.520 224 2HB SER 26 2HB SER 26 -2.484 -8.526 4.969 225 HG SER 26 HG SER 26 -4.698 -7.171 4.657 226 H LEU 27 H LEU 27 -1.567 -6.031 2.098 227 HA LEU 27 HA LEU 27 0.358 -8.070 1.292 228 1HB LEU 27 1HB LEU 27 -0.575 -5.681 -0.339 229 2HB LEU 27 2HB LEU 27 0.209 -7.146 -0.881 230 HG LEU 27 HG LEU 27 -2.646 -6.683 -0.192 231 1HD1 LEU 27 1HD1 LEU 27 -1.745 -6.452 -2.452 232 2HD1 LEU 27 2HD1 LEU 27 -1.333 -8.181 -2.410 233 3HD1 LEU 27 3HD1 LEU 27 -3.044 -7.659 -2.302 234 1HD2 LEU 27 1HD2 LEU 27 -2.232 -8.665 1.145 235 2HD2 LEU 27 2HD2 LEU 27 -3.158 -9.072 -0.291 236 3HD2 LEU 27 3HD2 LEU 27 -1.418 -9.448 -0.240 237 H LEU 28 H LEU 28 0.386 -4.537 1.740 238 HA LEU 28 HA LEU 28 3.078 -4.154 0.801 239 1HB LEU 28 1HB LEU 28 1.372 -2.313 0.999 240 2HB LEU 28 2HB LEU 28 1.564 -2.386 2.752 241 HG LEU 28 HG LEU 28 4.092 -1.973 2.360 242 1HD1 LEU 28 1HD1 LEU 28 4.270 -2.529 -0.008 243 2HD1 LEU 28 2HD1 LEU 28 3.052 -1.305 -0.427 244 3HD1 LEU 28 3HD1 LEU 28 4.633 -0.822 0.204 245 1HD2 LEU 28 1HD2 LEU 28 3.793 0.445 2.083 246 2HD2 LEU 28 2HD2 LEU 28 2.110 0.172 1.599 247 3HD2 LEU 28 3HD2 LEU 28 2.639 -0.261 3.227 248 H GLU 29 H GLU 29 1.616 -4.606 4.039 249 HA GLU 29 HA GLU 29 3.901 -4.420 5.688 250 1HB GLU 29 1HB GLU 29 1.625 -4.503 6.536 251 2HB GLU 29 2HB GLU 29 1.449 -6.187 6.012 252 1HG GLU 29 1HG GLU 29 3.219 -6.870 7.589 253 2HG GLU 29 2HG GLU 29 3.489 -5.188 8.045 254 H GLN 30 H GLN 30 2.664 -7.239 3.874 255 HA GLN 30 HA GLN 30 4.665 -9.110 4.777 256 1HB GLN 30 1HB GLN 30 2.584 -9.721 3.560 257 2HB GLN 30 2HB GLN 30 3.223 -9.028 2.090 258 1HG GLN 30 1HG GLN 30 3.476 -11.487 2.142 259 2HG GLN 30 2HG GLN 30 5.003 -10.643 1.950 260 1HE2 GLN 30 1HE2 GLN 30 6.633 -11.724 3.059 261 2HE2 GLN 30 2HE2 GLN 30 6.360 -12.584 4.573 262 H TYR 31 H TYR 31 4.563 -6.961 1.951 263 HA TYR 31 HA TYR 31 7.052 -7.956 0.849 264 1HB TYR 31 1HB TYR 31 5.182 -6.932 -0.448 265 2HB TYR 31 2HB TYR 31 5.593 -5.361 0.236 266 HD1 TYR 31 1HD TYR 31 7.399 -8.241 -1.377 267 HD2 TYR 31 2HD TYR 31 6.835 -3.994 -1.215 268 HE1 TYR 31 1HE TYR 31 8.956 -7.943 -3.340 269 HE2 TYR 31 2HE TYR 31 8.580 -3.717 -2.995 270 HH TYR 31 HH TYR 31 10.101 -6.478 -4.631 271 H VAL 32 H VAL 32 6.222 -5.252 2.897 272 HA VAL 32 HA VAL 32 8.866 -4.164 2.776 273 HB VAL 32 HB VAL 32 6.612 -2.961 2.990 274 1HG1 VAL 32 1HG1 VAL 32 5.951 -4.221 5.089 275 2HG1 VAL 32 2HG1 VAL 32 7.065 -3.193 5.994 276 3HG1 VAL 32 3HG1 VAL 32 5.682 -2.477 5.129 277 1HG2 VAL 32 1HG2 VAL 32 7.504 -1.049 4.349 278 2HG2 VAL 32 2HG2 VAL 32 8.907 -2.025 4.780 279 3HG2 VAL 32 3HG2 VAL 32 8.591 -1.598 3.074 280 H LYS 33 H LYS 33 7.461 -6.492 4.764 281 HA LYS 33 HA LYS 33 9.764 -6.414 6.698 282 1HB LYS 33 1HB LYS 33 8.658 -7.775 8.175 283 2HB LYS 33 2HB LYS 33 7.426 -6.671 7.583 284 1HG LYS 33 1HG LYS 33 6.691 -8.549 5.998 285 2HG LYS 33 2HG LYS 33 7.814 -9.607 6.860 286 1HD LYS 33 1HD LYS 33 6.599 -9.214 8.976 287 2HD LYS 33 2HD LYS 33 5.571 -8.014 8.182 288 1HE LYS 33 1HE LYS 33 4.287 -10.017 8.396 289 2HE LYS 33 2HE LYS 33 4.648 -9.767 6.690 290 1HZ LYS 33 1HZ LYS 33 5.003 -12.066 7.279 291 2HZ LYS 33 2HZ LYS 33 6.465 -11.423 6.950 292 3HZ LYS 33 3HZ LYS 33 6.023 -11.685 8.501 293 H ASP 34 H ASP 34 8.887 -7.827 3.813 294 HA ASP 34 HA ASP 34 10.641 -10.179 3.856 295 1HB ASP 34 1HB ASP 34 8.747 -8.900 2.010 296 2HB ASP 34 2HB ASP 34 10.228 -9.236 1.187 297 H THR 35 H THR 35 10.737 -6.980 2.264 298 HA THR 35 HA THR 35 13.754 -6.990 2.308 299 HB THR 35 HB THR 35 13.749 -6.003 0.060 300 HG1 THR 35 1HG THR 35 11.016 -6.730 -0.060 301 1HG2 THR 35 1HG2 THR 35 12.266 -8.663 0.029 302 2HG2 THR 35 2HG2 THR 35 13.224 -7.955 -1.284 303 3HG2 THR 35 3HG2 THR 35 14.020 -8.460 0.220 304 H GLY 36 H GLY 36 10.757 -5.203 2.517 305 1HA GLY 36 1HA GLY 36 10.464 -3.114 3.530 306 2HA GLY 36 2HA GLY 36 12.162 -2.726 3.340 307 H ASN 37 H ASN 37 11.511 -3.977 0.388 308 HA ASN 37 HA ASN 37 11.640 -1.423 -0.877 309 1HB ASN 37 1HB ASN 37 11.005 -4.213 -1.907 310 2HB ASN 37 2HB ASN 37 11.261 -2.832 -2.952 311 1HD2 ASN 37 1HD2 ASN 37 12.814 -5.174 -3.095 312 2HD2 ASN 37 2HD2 ASN 37 14.459 -4.711 -2.664 313 H ASP 38 H ASP 38 10.247 -0.303 -2.177 314 HA ASP 38 HA ASP 38 7.352 -0.522 -1.817 315 1HB ASP 38 1HB ASP 38 9.074 1.119 -3.720 316 2HB ASP 38 2HB ASP 38 7.315 1.212 -3.600 317 HA PRO 39 HA PRO 39 6.933 -3.858 -4.640 318 1HB PRO 39 1HB PRO 39 4.303 -3.774 -5.402 319 2HB PRO 39 2HB PRO 39 4.902 -4.199 -3.770 320 1HG PRO 39 1HG PRO 39 3.920 -1.498 -4.729 321 2HG PRO 39 2HG PRO 39 3.408 -2.404 -3.266 322 1HD PRO 39 1HD PRO 39 5.281 -0.459 -3.112 323 2HD PRO 39 2HD PRO 39 5.460 -1.970 -2.169 324 H ILE 40 H ILE 40 6.790 -0.749 -6.187 325 HA ILE 40 HA ILE 40 6.960 -2.138 -8.855 326 HB ILE 40 HB ILE 40 5.595 0.485 -8.219 327 1HG1 ILE 40 1HG1 ILE 40 4.427 -1.945 -9.634 328 2HG1 ILE 40 2HG1 ILE 40 4.384 -1.817 -7.880 329 1HG2 ILE 40 1HG2 ILE 40 6.824 0.782 -10.313 330 2HG2 ILE 40 2HG2 ILE 40 6.210 -0.771 -10.928 331 3HG2 ILE 40 3HG2 ILE 40 5.116 0.605 -10.676 332 1HD1 ILE 40 1HD1 ILE 40 2.299 -1.037 -8.824 333 2HD1 ILE 40 2HD1 ILE 40 3.163 0.267 -7.975 334 3HD1 ILE 40 3HD1 ILE 40 3.135 0.213 -9.752 335 H THR 41 H THR 41 8.053 0.676 -6.916 336 HA THR 41 HA THR 41 10.161 1.280 -8.897 337 HB THR 41 HB THR 41 10.824 3.014 -7.116 338 HG1 THR 41 1HG THR 41 8.149 2.516 -6.473 339 1HG2 THR 41 1HG2 THR 41 8.135 3.202 -8.542 340 2HG2 THR 41 2HG2 THR 41 9.080 4.565 -7.899 341 3HG2 THR 41 3HG2 THR 41 9.720 3.598 -9.240 342 H ASN 42 H ASN 42 9.810 -0.808 -6.191 343 HA ASN 42 HA ASN 42 11.048 -1.665 -4.641 344 1HB ASN 42 1HB ASN 42 12.701 -3.104 -5.358 345 2HB ASN 42 2HB ASN 42 11.490 -3.030 -6.609 346 1HD2 ASN 42 1HD2 ASN 42 14.647 -1.495 -5.788 347 2HD2 ASN 42 2HD2 ASN 42 15.236 -1.510 -7.459 348 H GLU 43 H GLU 43 11.200 1.085 -4.581 349 HA GLU 43 HA GLU 43 13.950 1.803 -3.768 350 1HB GLU 43 1HB GLU 43 11.304 3.192 -3.240 351 2HB GLU 43 2HB GLU 43 12.874 3.801 -2.726 352 1HG GLU 43 1HG GLU 43 13.043 3.162 -5.546 353 2HG GLU 43 2HG GLU 43 11.551 4.045 -5.271 354 HA PRO 44 HA PRO 44 13.662 -0.480 -0.010 355 1HB PRO 44 1HB PRO 44 15.785 0.469 1.443 356 2HB PRO 44 2HB PRO 44 15.956 -0.545 -0.021 357 1HG PRO 44 1HG PRO 44 16.125 2.481 0.178 358 2HG PRO 44 2HG PRO 44 17.249 1.359 -0.649 359 1HD PRO 44 1HD PRO 44 15.288 2.689 -1.997 360 2HD PRO 44 2HD PRO 44 15.733 1.010 -2.430 361 H LEU 45 H LEU 45 12.380 -0.387 1.674 362 HA LEU 45 HA LEU 45 11.228 0.177 3.492 363 1HB LEU 45 1HB LEU 45 12.800 2.764 3.659 364 2HB LEU 45 2HB LEU 45 11.454 2.335 4.693 365 HG LEU 45 HG LEU 45 12.686 0.229 5.376 366 1HD1 LEU 45 1HD1 LEU 45 15.200 0.340 5.202 367 2HD1 LEU 45 2HD1 LEU 45 14.408 -0.015 3.674 368 3HD1 LEU 45 3HD1 LEU 45 15.018 1.627 3.989 369 1HD2 LEU 45 1HD2 LEU 45 12.549 2.227 6.784 370 2HD2 LEU 45 2HD2 LEU 45 14.122 1.446 6.975 371 3HD2 LEU 45 3HD2 LEU 45 13.982 2.917 5.983 372 H SER 46 H SER 46 9.263 1.166 3.916 373 HA SER 46 HA SER 46 7.925 2.668 1.761 374 1HB SER 46 1HB SER 46 7.968 0.153 1.218 375 2HB SER 46 2HB SER 46 6.797 -0.014 2.523 376 HG SER 46 HG SER 46 6.595 1.512 0.146 377 H ILE 47 H ILE 47 7.250 0.622 4.537 378 HA ILE 47 HA ILE 47 5.119 1.910 5.625 379 HB ILE 47 HB ILE 47 6.035 -0.368 6.178 380 1HG1 ILE 47 1HG1 ILE 47 5.477 -0.456 8.595 381 2HG1 ILE 47 2HG1 ILE 47 5.351 1.308 8.621 382 1HG2 ILE 47 1HG2 ILE 47 7.921 1.048 8.099 383 2HG2 ILE 47 2HG2 ILE 47 7.740 -0.695 7.860 384 3HG2 ILE 47 3HG2 ILE 47 8.412 0.297 6.565 385 1HD1 ILE 47 1HD1 ILE 47 3.531 1.194 6.965 386 2HD1 ILE 47 2HD1 ILE 47 3.722 -0.566 6.835 387 3HD1 ILE 47 3HD1 ILE 47 3.150 0.161 8.354 388 H GLU 48 H GLU 48 8.362 2.948 6.082 389 HA GLU 48 HA GLU 48 7.834 4.861 8.211 390 1HB GLU 48 1HB GLU 48 10.093 4.642 6.183 391 2HB GLU 48 2HB GLU 48 10.054 5.821 7.490 392 1HG GLU 48 1HG GLU 48 10.115 2.794 7.849 393 2HG GLU 48 2HG GLU 48 11.474 3.900 8.037 394 H GLU 49 H GLU 49 6.859 4.685 5.027 395 HA GLU 49 HA GLU 49 6.313 7.617 4.832 396 1HB GLU 49 1HB GLU 49 7.497 5.822 2.675 397 2HB GLU 49 2HB GLU 49 6.838 7.439 2.369 398 1HG GLU 49 1HG GLU 49 8.467 8.377 4.038 399 2HG GLU 49 2HG GLU 49 9.215 6.780 4.157 400 H ILE 50 H ILE 50 4.858 4.892 5.363 401 HA ILE 50 HA ILE 50 2.922 4.530 3.367 402 HB ILE 50 HB ILE 50 3.438 2.981 5.217 403 1HG1 ILE 50 1HG1 ILE 50 0.455 3.545 5.009 404 2HG1 ILE 50 2HG1 ILE 50 1.421 2.822 3.715 405 1HG2 ILE 50 1HG2 ILE 50 1.491 4.599 6.932 406 2HG2 ILE 50 2HG2 ILE 50 2.460 3.200 7.423 407 3HG2 ILE 50 3HG2 ILE 50 3.246 4.740 7.087 408 1HD1 ILE 50 1HD1 ILE 50 1.087 1.630 6.501 409 2HD1 ILE 50 2HD1 ILE 50 0.235 1.119 5.047 410 3HD1 ILE 50 3HD1 ILE 50 1.994 0.921 5.137 411 H VAL 51 H VAL 51 1.067 5.196 2.945 412 HA VAL 51 HA VAL 51 -0.415 7.289 4.517 413 HB VAL 51 HB VAL 51 -0.397 7.044 1.484 414 1HG1 VAL 51 1HG1 VAL 51 -1.699 9.140 1.561 415 2HG1 VAL 51 2HG1 VAL 51 -2.563 7.847 2.397 416 3HG1 VAL 51 3HG1 VAL 51 -1.707 9.088 3.335 417 1HG2 VAL 51 1HG2 VAL 51 0.691 9.274 1.529 418 2HG2 VAL 51 2HG2 VAL 51 0.844 9.160 3.296 419 3HG2 VAL 51 3HG2 VAL 51 1.720 8.030 2.239 420 H GLU 52 H GLU 52 -1.802 5.907 5.637 421 HA GLU 52 HA GLU 52 -3.203 3.744 4.232 422 1HB GLU 52 1HB GLU 52 -4.015 4.782 6.947 423 2HB GLU 52 2HB GLU 52 -4.294 3.199 6.186 424 1HG GLU 52 1HG GLU 52 -1.885 2.676 6.367 425 2HG GLU 52 2HG GLU 52 -1.601 4.233 7.141 426 H ILE 53 H ILE 53 -4.742 4.083 2.818 427 HA ILE 53 HA ILE 53 -6.193 6.634 2.624 428 HB ILE 53 HB ILE 53 -6.258 4.086 0.959 429 1HG1 ILE 53 1HG1 ILE 53 -4.065 5.144 0.824 430 2HG1 ILE 53 2HG1 ILE 53 -4.925 5.246 -0.696 431 1HG2 ILE 53 1HG2 ILE 53 -7.559 6.772 0.395 432 2HG2 ILE 53 2HG2 ILE 53 -7.304 5.504 -0.824 433 3HG2 ILE 53 3HG2 ILE 53 -8.346 5.192 0.562 434 1HD1 ILE 53 1HD1 ILE 53 -3.727 7.334 -0.185 435 2HD1 ILE 53 2HD1 ILE 53 -5.465 7.628 -0.278 436 3HD1 ILE 53 3HD1 ILE 53 -4.657 7.543 1.303 437 H VAL 54 H VAL 54 -6.840 3.351 3.664 438 HA VAL 54 HA VAL 54 -9.645 3.376 3.916 439 HB VAL 54 HB VAL 54 -8.195 1.426 4.215 440 1HG1 VAL 54 1HG1 VAL 54 -7.550 2.429 7.002 441 2HG1 VAL 54 2HG1 VAL 54 -7.103 0.877 6.287 442 3HG1 VAL 54 3HG1 VAL 54 -6.420 2.370 5.633 443 1HG2 VAL 54 1HG2 VAL 54 -10.038 1.856 6.583 444 2HG2 VAL 54 2HG2 VAL 54 -10.509 1.295 4.957 445 3HG2 VAL 54 3HG2 VAL 54 -9.456 0.304 5.966 446 HA PRO 55 HA PRO 55 -10.211 6.646 6.889 447 1HB PRO 55 1HB PRO 55 -12.831 6.307 7.623 448 2HB PRO 55 2HB PRO 55 -12.315 6.911 6.017 449 1HG PRO 55 1HG PRO 55 -13.052 4.067 6.786 450 2HG PRO 55 2HG PRO 55 -13.654 5.028 5.398 451 1HD PRO 55 1HD PRO 55 -11.635 3.265 5.100 452 2HD PRO 55 2HD PRO 55 -11.588 4.835 4.250 453 H SER 56 H SER 56 -10.552 3.347 7.828 454 HA SER 56 HA SER 56 -10.351 2.187 9.795 455 1HB SER 56 1HB SER 56 -8.086 3.204 9.206 456 2HB SER 56 2HB SER 56 -8.347 4.342 10.532 457 HG SER 56 HG SER 56 -8.369 2.635 11.978 Start of MODEL 11 1 H MET 1 H MET 1 -6.562 1.965 -9.510 2 HA MET 1 HA MET 1 -7.440 1.643 -7.286 3 1HB MET 1 1HB MET 1 -9.757 1.074 -7.650 4 2HB MET 1 2HB MET 1 -9.165 2.050 -8.989 5 1HG MET 1 1HG MET 1 -8.901 0.032 -10.382 6 2HG MET 1 2HG MET 1 -9.454 -0.989 -9.052 7 1HE MET 1 1HE MET 1 -11.975 0.456 -7.789 8 2HE MET 1 2HE MET 1 -13.244 -0.284 -8.786 9 3HE MET 1 3HE MET 1 -11.861 -1.261 -8.241 10 H LEU 2 H LEU 2 -6.092 -1.037 -8.554 11 HA LEU 2 HA LEU 2 -6.778 -2.757 -6.221 12 1HB LEU 2 1HB LEU 2 -6.932 -4.704 -7.485 13 2HB LEU 2 2HB LEU 2 -7.915 -3.539 -8.353 14 HG LEU 2 HG LEU 2 -5.098 -4.451 -9.119 15 1HD1 LEU 2 1HD1 LEU 2 -6.227 -5.588 -10.980 16 2HD1 LEU 2 2HD1 LEU 2 -6.852 -6.168 -9.429 17 3HD1 LEU 2 3HD1 LEU 2 -7.805 -5.021 -10.390 18 1HD2 LEU 2 1HD2 LEU 2 -5.574 -3.332 -11.309 19 2HD2 LEU 2 2HD2 LEU 2 -7.022 -2.593 -10.590 20 3HD2 LEU 2 3HD2 LEU 2 -5.394 -2.189 -9.987 21 H CYS 3 H CYS 3 -5.242 -4.206 -5.420 22 HA CYS 3 HA CYS 3 -2.952 -2.877 -4.987 23 1HB CYS 3 1HB CYS 3 -3.193 -5.867 -4.479 24 2HB CYS 3 2HB CYS 3 -2.463 -4.660 -3.503 25 HG CYS 3 HG CYS 3 -4.737 -6.076 -2.847 26 H ALA 4 H ALA 4 -0.908 -2.840 -5.462 27 HA ALA 4 HA ALA 4 -0.053 -3.790 -8.078 28 1HB ALA 4 1HB ALA 4 2.006 -2.749 -7.680 29 2HB ALA 4 2HB ALA 4 0.803 -1.703 -6.909 30 3HB ALA 4 3HB ALA 4 1.828 -2.804 -5.934 31 H ILE 5 H ILE 5 0.009 -5.123 -4.935 32 HA ILE 5 HA ILE 5 2.206 -7.033 -5.393 33 HB ILE 5 HB ILE 5 0.551 -6.235 -2.974 34 1HG1 ILE 5 1HG1 ILE 5 3.523 -5.888 -3.591 35 2HG1 ILE 5 2HG1 ILE 5 2.311 -4.654 -3.926 36 1HG2 ILE 5 1HG2 ILE 5 2.842 -8.282 -3.231 37 2HG2 ILE 5 2HG2 ILE 5 2.222 -7.686 -1.688 38 3HG2 ILE 5 3HG2 ILE 5 1.177 -8.646 -2.734 39 1HD1 ILE 5 1HD1 ILE 5 3.410 -4.113 -1.865 40 2HD1 ILE 5 2HD1 ILE 5 1.729 -4.554 -1.511 41 3HD1 ILE 5 3HD1 ILE 5 3.057 -5.697 -1.181 42 H SER 6 H SER 6 -1.257 -7.304 -4.522 43 HA SER 6 HA SER 6 -1.253 -10.072 -5.656 44 1HB SER 6 1HB SER 6 -1.280 -9.966 -3.137 45 2HB SER 6 2HB SER 6 -2.936 -9.332 -3.284 46 HG SER 6 HG SER 6 -2.816 -11.641 -3.032 47 H GLY 7 H GLY 7 -2.879 -7.027 -5.791 48 1HA GLY 7 1HA GLY 7 -4.446 -6.350 -7.363 49 2HA GLY 7 2HA GLY 7 -4.453 -8.009 -7.960 50 H LYS 8 H LYS 8 -5.035 -7.757 -4.741 51 HA LYS 8 HA LYS 8 -7.709 -8.888 -4.717 52 1HB LYS 8 1HB LYS 8 -5.904 -9.503 -3.219 53 2HB LYS 8 2HB LYS 8 -5.690 -7.847 -2.677 54 1HG LYS 8 1HG LYS 8 -7.817 -7.947 -1.448 55 2HG LYS 8 2HG LYS 8 -8.169 -9.555 -2.138 56 1HD LYS 8 1HD LYS 8 -6.118 -10.442 -1.052 57 2HD LYS 8 2HD LYS 8 -5.799 -8.843 -0.355 58 1HE LYS 8 1HE LYS 8 -7.930 -8.945 0.895 59 2HE LYS 8 2HE LYS 8 -8.309 -10.505 0.154 60 1HZ LYS 8 1HZ LYS 8 -6.002 -9.998 1.960 61 2HZ LYS 8 2HZ LYS 8 -7.362 -10.807 2.361 62 3HZ LYS 8 3HZ LYS 8 -6.346 -11.438 1.261 63 H VAL 9 H VAL 9 -9.512 -7.966 -3.456 64 HA VAL 9 HA VAL 9 -9.894 -5.065 -3.854 65 HB VAL 9 HB VAL 9 -11.716 -6.485 -4.429 66 1HG1 VAL 9 1HG1 VAL 9 -11.488 -8.319 -2.753 67 2HG1 VAL 9 2HG1 VAL 9 -12.149 -7.212 -1.517 68 3HG1 VAL 9 3HG1 VAL 9 -13.125 -7.673 -2.915 69 1HG2 VAL 9 1HG2 VAL 9 -12.371 -4.756 -2.006 70 2HG2 VAL 9 2HG2 VAL 9 -12.130 -4.172 -3.673 71 3HG2 VAL 9 3HG2 VAL 9 -13.491 -5.241 -3.296 72 HA PRO 10 HA PRO 10 -7.773 -4.869 0.036 73 1HB PRO 10 1HB PRO 10 -7.472 -2.182 0.384 74 2HB PRO 10 2HB PRO 10 -6.593 -3.106 -0.867 75 1HG PRO 10 1HG PRO 10 -9.153 -1.516 -1.226 76 2HG PRO 10 2HG PRO 10 -7.657 -1.449 -2.215 77 1HD PRO 10 1HD PRO 10 -9.782 -2.976 -2.957 78 2HD PRO 10 2HD PRO 10 -8.102 -3.541 -3.205 79 H ARG 11 H ARG 11 -8.165 -4.805 2.082 80 HA ARG 11 HA ARG 11 -10.808 -4.025 3.248 81 1HB ARG 11 1HB ARG 11 -8.468 -5.732 4.219 82 2HB ARG 11 2HB ARG 11 -9.716 -5.138 5.304 83 1HG ARG 11 1HG ARG 11 -10.218 -7.396 4.693 84 2HG ARG 11 2HG ARG 11 -11.462 -6.320 4.056 85 1HD ARG 11 1HD ARG 11 -10.617 -6.545 1.806 86 2HD ARG 11 2HD ARG 11 -9.150 -7.373 2.378 87 HE ARG 11 HE ARG 11 -11.285 -8.933 3.286 88 1HH1 ARG 11 2HH2 ARG 11 -10.304 -7.941 0.051 89 2HH1 ARG 11 1HH2 ARG 11 -10.859 -9.454 -0.625 90 1HH2 ARG 11 2HH1 ARG 11 -12.008 -10.756 2.318 91 2HH2 ARG 11 1HH1 ARG 11 -11.803 -10.977 0.606 92 H ARG 12 H ARG 12 -7.302 -3.469 3.535 93 HA ARG 12 HA ARG 12 -7.872 -0.706 4.614 94 1HB ARG 12 1HB ARG 12 -5.838 -2.734 5.485 95 2HB ARG 12 2HB ARG 12 -5.400 -1.024 5.513 96 1HG ARG 12 1HG ARG 12 -7.939 -1.970 6.856 97 2HG ARG 12 2HG ARG 12 -6.362 -2.063 7.659 98 1HD ARG 12 1HD ARG 12 -6.010 0.354 7.343 99 2HD ARG 12 2HD ARG 12 -7.564 0.495 6.517 100 HE ARG 12 HE ARG 12 -8.620 -0.322 8.668 101 1HH1 ARG 12 2HH2 ARG 12 -5.482 1.378 8.981 102 2HH1 ARG 12 1HH2 ARG 12 -5.925 1.891 10.576 103 1HH2 ARG 12 2HH1 ARG 12 -8.991 0.396 10.690 104 2HH2 ARG 12 1HH1 ARG 12 -7.797 1.363 11.510 105 HA PRO 13 HA PRO 13 -6.001 -0.237 0.420 106 1HB PRO 13 1HB PRO 13 -7.162 2.268 0.002 107 2HB PRO 13 2HB PRO 13 -7.858 0.699 -0.497 108 1HG PRO 13 1HG PRO 13 -8.427 2.255 2.049 109 2HG PRO 13 2HG PRO 13 -9.603 1.509 0.908 110 1HD PRO 13 1HD PRO 13 -8.978 0.145 3.095 111 2HD PRO 13 2HD PRO 13 -8.858 -0.697 1.505 112 H VAL 14 H VAL 14 -4.133 0.386 0.384 113 HA VAL 14 HA VAL 14 -3.003 2.619 2.053 114 HB VAL 14 HB VAL 14 -2.501 -0.322 2.172 115 1HG1 VAL 14 1HG1 VAL 14 -0.305 0.323 1.313 116 2HG1 VAL 14 2HG1 VAL 14 -0.165 1.576 2.547 117 3HG1 VAL 14 3HG1 VAL 14 -0.233 -0.156 2.993 118 1HG2 VAL 14 1HG2 VAL 14 -1.986 0.290 4.516 119 2HG2 VAL 14 2HG2 VAL 14 -2.034 1.992 4.078 120 3HG2 VAL 14 3HG2 VAL 14 -3.525 1.011 4.011 121 H LEU 15 H LEU 15 -1.363 3.732 1.298 122 HA LEU 15 HA LEU 15 -0.300 3.121 -1.438 123 1HB LEU 15 1HB LEU 15 -2.101 4.648 -1.627 124 2HB LEU 15 2HB LEU 15 -1.533 5.668 -0.326 125 HG LEU 15 HG LEU 15 0.240 5.345 -2.753 126 1HD1 LEU 15 1HD1 LEU 15 -2.220 7.140 -2.636 127 2HD1 LEU 15 2HD1 LEU 15 -0.944 7.192 -3.880 128 3HD1 LEU 15 3HD1 LEU 15 -1.970 5.764 -3.728 129 1HD2 LEU 15 1HD2 LEU 15 -0.463 7.778 -1.044 130 2HD2 LEU 15 2HD2 LEU 15 0.958 6.767 -0.777 131 3HD2 LEU 15 3HD2 LEU 15 0.805 7.679 -2.280 132 H SER 16 H SER 16 1.741 4.001 -1.884 133 HA SER 16 HA SER 16 3.342 5.352 0.214 134 1HB SER 16 1HB SER 16 4.210 3.138 0.387 135 2HB SER 16 2HB SER 16 4.230 2.927 -1.367 136 HG SER 16 HG SER 16 6.258 3.476 -0.927 137 HA PRO 17 HA PRO 17 3.164 8.047 -3.226 138 1HB PRO 17 1HB PRO 17 5.021 9.974 -2.587 139 2HB PRO 17 2HB PRO 17 3.461 9.756 -1.739 140 1HG PRO 17 1HG PRO 17 6.180 8.667 -0.939 141 2HG PRO 17 2HG PRO 17 5.011 9.575 0.075 142 1HD PRO 17 1HD PRO 17 5.122 6.866 0.143 143 2HD PRO 17 2HD PRO 17 3.548 7.710 0.211 144 H LYS 18 H LYS 18 5.872 6.097 -2.805 145 HA LYS 18 HA LYS 18 7.457 7.041 -5.114 146 1HB LYS 18 1HB LYS 18 7.675 4.323 -3.810 147 2HB LYS 18 2HB LYS 18 8.869 5.180 -4.770 148 1HG LYS 18 1HG LYS 18 9.024 6.894 -2.898 149 2HG LYS 18 2HG LYS 18 7.889 5.894 -1.973 150 1HD LYS 18 1HD LYS 18 9.625 3.952 -2.555 151 2HD LYS 18 2HD LYS 18 10.730 5.307 -2.793 152 1HE LYS 18 1HE LYS 18 10.998 4.490 -0.563 153 2HE LYS 18 2HE LYS 18 10.189 6.059 -0.434 154 1HZ LYS 18 1HZ LYS 18 9.280 4.066 0.887 155 2HZ LYS 18 2HZ LYS 18 8.143 4.948 0.059 156 3HZ LYS 18 3HZ LYS 18 8.661 3.511 -0.512 157 H SER 19 H SER 19 5.724 3.930 -4.549 158 HA SER 19 HA SER 19 5.278 3.308 -7.306 159 1HB SER 19 1HB SER 19 3.693 2.454 -4.846 160 2HB SER 19 2HB SER 19 3.669 1.679 -6.438 161 HG SER 19 HG SER 19 5.723 1.790 -4.504 162 H ARG 20 H ARG 20 3.453 5.114 -4.919 163 HA ARG 20 HA ARG 20 1.475 6.091 -4.764 164 1HB ARG 20 1HB ARG 20 0.971 7.899 -6.300 165 2HB ARG 20 2HB ARG 20 2.621 7.837 -5.721 166 1HG ARG 20 1HG ARG 20 3.288 6.813 -7.970 167 2HG ARG 20 2HG ARG 20 1.630 7.126 -8.514 168 1HD ARG 20 1HD ARG 20 3.094 8.913 -9.239 169 2HD ARG 20 2HD ARG 20 2.017 9.562 -7.988 170 HE ARG 20 HE ARG 20 4.266 8.721 -6.573 171 1HH1 ARG 20 2HH1 ARG 20 3.943 11.011 -9.212 172 2HH1 ARG 20 1HH1 ARG 20 5.353 11.897 -8.690 173 1HH2 ARG 20 2HH2 ARG 20 5.911 9.849 -5.964 174 2HH2 ARG 20 1HH2 ARG 20 6.474 11.245 -6.871 175 H THR 21 H THR 21 1.404 3.421 -6.013 176 HA THR 21 HA THR 21 -1.224 3.171 -7.255 177 HB THR 21 HB THR 21 -0.685 0.744 -6.884 178 HG1 THR 21 1HG THR 21 0.587 0.914 -5.027 179 1HG2 THR 21 1HG2 THR 21 1.163 0.515 -8.395 180 2HG2 THR 21 2HG2 THR 21 0.255 1.950 -8.926 181 3HG2 THR 21 3HG2 THR 21 1.779 2.123 -8.007 182 H ILE 22 H ILE 22 -2.747 1.486 -5.983 183 HA ILE 22 HA ILE 22 -2.615 1.956 -3.036 184 HB ILE 22 HB ILE 22 -5.148 1.775 -4.660 185 1HG1 ILE 22 1HG1 ILE 22 -5.538 4.075 -3.436 186 2HG1 ILE 22 2HG1 ILE 22 -3.783 4.138 -3.324 187 1HG2 ILE 22 1HG2 ILE 22 -5.339 0.656 -2.471 188 2HG2 ILE 22 2HG2 ILE 22 -4.687 2.105 -1.668 189 3HG2 ILE 22 3HG2 ILE 22 -6.267 2.151 -2.480 190 1HD1 ILE 22 1HD1 ILE 22 -4.772 5.396 -5.252 191 2HD1 ILE 22 2HD1 ILE 22 -3.639 4.161 -5.799 192 3HD1 ILE 22 3HD1 ILE 22 -5.392 3.874 -5.915 193 H PHE 23 H PHE 23 -2.152 0.201 -2.114 194 HA PHE 23 HA PHE 23 -3.073 -2.439 -3.106 195 1HB PHE 23 1HB PHE 23 -0.901 -3.185 -1.644 196 2HB PHE 23 2HB PHE 23 -0.912 -3.006 -3.385 197 HD1 PHE 23 1HD PHE 23 0.939 -1.932 -4.248 198 HD2 PHE 23 2HD PHE 23 -0.459 -0.899 -0.397 199 HE1 PHE 23 1HE PHE 23 2.610 -0.117 -4.206 200 HE2 PHE 23 2HE PHE 23 1.190 1.055 -0.318 201 HZ PHE 23 HZ PHE 23 2.736 1.402 -2.229 202 H GLU 24 H GLU 24 -2.986 -4.096 -1.424 203 HA GLU 24 HA GLU 24 -4.684 -3.153 0.764 204 1HB GLU 24 1HB GLU 24 -5.554 -5.083 -0.024 205 2HB GLU 24 2HB GLU 24 -4.036 -5.813 -0.368 206 1HG GLU 24 1HG GLU 24 -5.202 -6.975 1.448 207 2HG GLU 24 2HG GLU 24 -3.669 -6.319 2.010 208 H LYS 25 H LYS 25 -3.945 -2.759 2.895 209 HA LYS 25 HA LYS 25 -1.326 -2.145 3.540 210 1HB LYS 25 1HB LYS 25 -3.323 -1.475 4.812 211 2HB LYS 25 2HB LYS 25 -3.537 -3.130 5.390 212 1HG LYS 25 1HG LYS 25 -1.405 -3.049 6.589 213 2HG LYS 25 2HG LYS 25 -1.029 -1.459 5.897 214 1HD LYS 25 1HD LYS 25 -3.019 -0.512 7.025 215 2HD LYS 25 2HD LYS 25 -3.368 -2.075 7.768 216 1HE LYS 25 1HE LYS 25 -0.757 -0.532 8.161 217 2HE LYS 25 2HE LYS 25 -2.163 -0.371 9.216 218 1HZ LYS 25 1HZ LYS 25 -1.969 -2.799 9.665 219 2HZ LYS 25 2HZ LYS 25 -0.558 -2.863 8.841 220 3HZ LYS 25 3HZ LYS 25 -0.672 -1.954 10.174 221 H SER 26 H SER 26 -3.139 -5.120 4.099 222 HA SER 26 HA SER 26 -1.206 -6.446 5.582 223 1HB SER 26 1HB SER 26 -3.165 -7.827 3.704 224 2HB SER 26 2HB SER 26 -2.363 -8.550 5.106 225 HG SER 26 HG SER 26 -4.301 -6.471 5.039 226 H LEU 27 H LEU 27 -1.381 -6.185 2.054 227 HA LEU 27 HA LEU 27 0.656 -8.266 1.598 228 1HB LEU 27 1HB LEU 27 0.126 -6.391 -0.604 229 2HB LEU 27 2HB LEU 27 0.212 -8.146 -0.589 230 HG LEU 27 HG LEU 27 -2.171 -6.517 0.257 231 1HD1 LEU 27 1HD1 LEU 27 -1.442 -7.814 -2.352 232 2HD1 LEU 27 2HD1 LEU 27 -3.096 -7.254 -1.979 233 3HD1 LEU 27 3HD1 LEU 27 -1.737 -6.098 -2.033 234 1HD2 LEU 27 1HD2 LEU 27 -2.024 -9.478 -0.408 235 2HD2 LEU 27 2HD2 LEU 27 -2.193 -8.792 1.226 236 3HD2 LEU 27 3HD2 LEU 27 -3.479 -8.550 0.045 237 H LEU 28 H LEU 28 0.447 -4.702 1.665 238 HA LEU 28 HA LEU 28 3.164 -4.271 0.774 239 1HB LEU 28 1HB LEU 28 1.431 -2.449 0.841 240 2HB LEU 28 2HB LEU 28 1.568 -2.448 2.605 241 HG LEU 28 HG LEU 28 4.115 -2.028 2.263 242 1HD1 LEU 28 1HD1 LEU 28 3.134 -1.479 -0.567 243 2HD1 LEU 28 2HD1 LEU 28 4.689 -0.931 0.086 244 3HD1 LEU 28 3HD1 LEU 28 4.372 -2.653 -0.067 245 1HD2 LEU 28 1HD2 LEU 28 2.634 -0.291 3.039 246 2HD2 LEU 28 2HD2 LEU 28 3.812 0.374 1.896 247 3HD2 LEU 28 3HD2 LEU 28 2.141 0.077 1.377 248 H GLU 29 H GLU 29 1.664 -4.558 4.001 249 HA GLU 29 HA GLU 29 3.940 -4.319 5.650 250 1HB GLU 29 1HB GLU 29 1.527 -4.300 6.282 251 2HB GLU 29 2HB GLU 29 1.506 -6.066 6.139 252 1HG GLU 29 1HG GLU 29 3.194 -6.219 7.936 253 2HG GLU 29 2HG GLU 29 3.314 -4.454 8.000 254 H GLN 30 H GLN 30 2.646 -7.220 4.010 255 HA GLN 30 HA GLN 30 4.602 -9.101 4.948 256 1HB GLN 30 1HB GLN 30 2.415 -9.549 3.706 257 2HB GLN 30 2HB GLN 30 3.255 -9.134 2.220 258 1HG GLN 30 1HG GLN 30 4.932 -10.927 2.664 259 2HG GLN 30 2HG GLN 30 4.047 -11.373 4.128 260 1HE2 GLN 30 1HE2 GLN 30 1.726 -12.167 3.816 261 2HE2 GLN 30 2HE2 GLN 30 1.372 -12.951 2.280 262 H TYR 31 H TYR 31 4.547 -7.035 2.023 263 HA TYR 31 HA TYR 31 6.999 -8.097 0.918 264 1HB TYR 31 1HB TYR 31 5.116 -7.089 -0.362 265 2HB TYR 31 2HB TYR 31 5.496 -5.519 0.324 266 HD1 TYR 31 1HD TYR 31 7.345 -8.322 -1.383 267 HD2 TYR 31 2HD TYR 31 6.659 -4.090 -1.122 268 HE1 TYR 31 1HE TYR 31 8.821 -7.936 -3.402 269 HE2 TYR 31 2HE TYR 31 8.277 -3.734 -2.993 270 HH TYR 31 HH TYR 31 9.841 -6.420 -4.721 271 H VAL 32 H VAL 32 6.225 -5.328 2.913 272 HA VAL 32 HA VAL 32 8.853 -4.238 2.723 273 HB VAL 32 HB VAL 32 6.595 -3.045 2.997 274 1HG1 VAL 32 1HG1 VAL 32 6.046 -4.309 5.141 275 2HG1 VAL 32 2HG1 VAL 32 7.141 -3.214 5.987 276 3HG1 VAL 32 3HG1 VAL 32 5.704 -2.585 5.137 277 1HG2 VAL 32 1HG2 VAL 32 7.510 -1.113 4.293 278 2HG2 VAL 32 2HG2 VAL 32 8.938 -2.068 4.690 279 3HG2 VAL 32 3HG2 VAL 32 8.556 -1.669 2.993 280 H LYS 33 H LYS 33 7.437 -6.477 4.866 281 HA LYS 33 HA LYS 33 9.777 -6.367 6.741 282 1HB LYS 33 1HB LYS 33 8.739 -7.794 8.198 283 2HB LYS 33 2HB LYS 33 7.446 -6.744 7.626 284 1HG LYS 33 1HG LYS 33 6.710 -8.580 6.077 285 2HG LYS 33 2HG LYS 33 7.989 -9.615 6.735 286 1HD LYS 33 1HD LYS 33 6.952 -9.411 9.001 287 2HD LYS 33 2HD LYS 33 5.709 -8.355 8.324 288 1HE LYS 33 1HE LYS 33 4.755 -10.534 8.554 289 2HE LYS 33 2HE LYS 33 4.950 -10.199 6.830 290 1HZ LYS 33 1HZ LYS 33 6.794 -11.870 8.464 291 2HZ LYS 33 2HZ LYS 33 5.677 -12.456 7.431 292 3HZ LYS 33 3HZ LYS 33 6.947 -11.604 6.859 293 H ASP 34 H ASP 34 8.869 -7.889 3.883 294 HA ASP 34 HA ASP 34 10.713 -10.167 3.949 295 1HB ASP 34 1HB ASP 34 8.697 -9.048 2.148 296 2HB ASP 34 2HB ASP 34 10.147 -9.347 1.260 297 H THR 35 H THR 35 10.679 -7.068 2.180 298 HA THR 35 HA THR 35 13.697 -7.040 2.074 299 HB THR 35 HB THR 35 13.583 -6.134 -0.181 300 HG1 THR 35 1HG THR 35 10.827 -6.796 -0.152 301 1HG2 THR 35 1HG2 THR 35 12.033 -8.753 -0.093 302 2HG2 THR 35 2HG2 THR 35 12.962 -8.097 -1.453 303 3HG2 THR 35 3HG2 THR 35 13.800 -8.594 0.031 304 H GLY 36 H GLY 36 10.715 -5.311 2.493 305 1HA GLY 36 1HA GLY 36 10.433 -3.169 3.414 306 2HA GLY 36 2HA GLY 36 12.123 -2.800 3.166 307 H ASN 37 H ASN 37 11.404 -4.031 0.226 308 HA ASN 37 HA ASN 37 11.628 -1.450 -0.963 309 1HB ASN 37 1HB ASN 37 10.927 -4.211 -2.054 310 2HB ASN 37 2HB ASN 37 11.269 -2.832 -3.068 311 1HD2 ASN 37 1HD2 ASN 37 12.766 -5.136 -3.332 312 2HD2 ASN 37 2HD2 ASN 37 14.400 -4.773 -2.781 313 H ASP 38 H ASP 38 10.286 -0.236 -2.253 314 HA ASP 38 HA ASP 38 7.365 -0.484 -2.029 315 1HB ASP 38 1HB ASP 38 9.250 1.448 -3.261 316 2HB ASP 38 2HB ASP 38 7.927 1.078 -4.313 317 HA PRO 39 HA PRO 39 7.226 -3.771 -4.996 318 1HB PRO 39 1HB PRO 39 4.606 -3.823 -5.782 319 2HB PRO 39 2HB PRO 39 5.178 -4.260 -4.140 320 1HG PRO 39 1HG PRO 39 4.108 -1.586 -5.082 321 2HG PRO 39 2HG PRO 39 3.573 -2.547 -3.663 322 1HD PRO 39 1HD PRO 39 5.339 -0.524 -3.376 323 2HD PRO 39 2HD PRO 39 5.560 -2.055 -2.466 324 H ILE 40 H ILE 40 7.137 -0.614 -6.130 325 HA ILE 40 HA ILE 40 6.986 -1.458 -9.019 326 HB ILE 40 HB ILE 40 6.101 1.189 -7.843 327 1HG1 ILE 40 1HG1 ILE 40 4.401 -0.511 -7.412 328 2HG1 ILE 40 2HG1 ILE 40 3.851 0.648 -8.605 329 1HG2 ILE 40 1HG2 ILE 40 6.232 0.288 -10.740 330 2HG2 ILE 40 2HG2 ILE 40 5.322 1.706 -10.168 331 3HG2 ILE 40 3HG2 ILE 40 7.071 1.652 -9.978 332 1HD1 ILE 40 1HD1 ILE 40 3.147 -1.572 -9.258 333 2HD1 ILE 40 2HD1 ILE 40 4.344 -1.008 -10.424 334 3HD1 ILE 40 3HD1 ILE 40 4.808 -2.189 -9.170 335 H THR 41 H THR 41 8.379 0.962 -6.746 336 HA THR 41 HA THR 41 10.479 1.619 -8.709 337 HB THR 41 HB THR 41 11.275 3.248 -7.048 338 HG1 THR 41 1HG THR 41 8.910 2.447 -5.773 339 1HG2 THR 41 1HG2 THR 41 9.378 4.784 -7.228 340 2HG2 THR 41 2HG2 THR 41 9.625 3.937 -8.763 341 3HG2 THR 41 3HG2 THR 41 8.293 3.458 -7.686 342 H ASN 42 H ASN 42 10.101 -0.621 -6.190 343 HA ASN 42 HA ASN 42 11.287 -1.708 -4.757 344 1HB ASN 42 1HB ASN 42 12.578 -3.271 -5.551 345 2HB ASN 42 2HB ASN 42 12.019 -2.659 -7.097 346 1HD2 ASN 42 1HD2 ASN 42 13.781 -0.405 -7.444 347 2HD2 ASN 42 2HD2 ASN 42 15.407 -1.079 -7.574 348 H GLU 43 H GLU 43 11.606 1.164 -4.609 349 HA GLU 43 HA GLU 43 14.243 1.720 -3.528 350 1HB GLU 43 1HB GLU 43 11.533 3.010 -3.226 351 2HB GLU 43 2HB GLU 43 12.994 3.698 -2.514 352 1HG GLU 43 1HG GLU 43 13.188 3.032 -5.435 353 2HG GLU 43 2HG GLU 43 11.998 4.240 -5.015 354 HA PRO 44 HA PRO 44 13.567 -0.681 0.143 355 1HB PRO 44 1HB PRO 44 15.686 0.074 1.721 356 2HB PRO 44 2HB PRO 44 15.836 -0.951 0.263 357 1HG PRO 44 1HG PRO 44 16.273 2.044 0.484 358 2HG PRO 44 2HG PRO 44 17.329 0.821 -0.296 359 1HD PRO 44 1HD PRO 44 15.573 2.323 -1.736 360 2HD PRO 44 2HD PRO 44 15.869 0.606 -2.144 361 H LEU 45 H LEU 45 12.248 -0.513 1.689 362 HA LEU 45 HA LEU 45 11.028 -0.002 3.467 363 1HB LEU 45 1HB LEU 45 12.806 2.387 3.865 364 2HB LEU 45 2HB LEU 45 11.330 2.175 4.785 365 HG LEU 45 HG LEU 45 13.373 -0.074 4.628 366 1HD1 LEU 45 1HD1 LEU 45 13.295 2.206 6.651 367 2HD1 LEU 45 2HD1 LEU 45 14.327 0.755 6.747 368 3HD1 LEU 45 3HD1 LEU 45 14.567 1.926 5.441 369 1HD2 LEU 45 1HD2 LEU 45 11.148 -0.651 5.550 370 2HD2 LEU 45 2HD2 LEU 45 12.382 -0.691 6.808 371 3HD2 LEU 45 3HD2 LEU 45 11.274 0.692 6.708 372 H SER 46 H SER 46 9.081 0.925 3.842 373 HA SER 46 HA SER 46 7.909 2.558 1.677 374 1HB SER 46 1HB SER 46 7.963 0.019 1.125 375 2HB SER 46 2HB SER 46 6.650 -0.099 2.289 376 HG SER 46 HG SER 46 6.781 1.524 -0.054 377 H ILE 47 H ILE 47 6.942 0.448 4.373 378 HA ILE 47 HA ILE 47 4.879 1.907 5.254 379 HB ILE 47 HB ILE 47 5.559 -0.442 5.709 380 1HG1 ILE 47 1HG1 ILE 47 4.655 0.672 8.346 381 2HG1 ILE 47 2HG1 ILE 47 3.658 0.932 6.908 382 1HG2 ILE 47 1HG2 ILE 47 6.866 -1.024 7.682 383 2HG2 ILE 47 2HG2 ILE 47 7.838 -0.005 6.616 384 3HG2 ILE 47 3HG2 ILE 47 7.104 0.686 8.081 385 1HD1 ILE 47 1HD1 ILE 47 2.977 -1.152 8.014 386 2HD1 ILE 47 2HD1 ILE 47 3.664 -1.473 6.403 387 3HD1 ILE 47 3HD1 ILE 47 4.633 -1.791 7.855 388 H GLU 48 H GLU 48 8.169 2.775 5.983 389 HA GLU 48 HA GLU 48 7.732 4.529 8.138 390 1HB GLU 48 1HB GLU 48 9.916 4.514 7.941 391 2HB GLU 48 2HB GLU 48 9.814 3.330 6.710 392 1HG GLU 48 1HG GLU 48 9.834 4.979 4.945 393 2HG GLU 48 2HG GLU 48 9.938 6.315 6.108 394 H GLU 49 H GLU 49 6.781 4.562 4.872 395 HA GLU 49 HA GLU 49 6.268 7.509 4.852 396 1HB GLU 49 1HB GLU 49 8.177 6.455 3.350 397 2HB GLU 49 2HB GLU 49 6.847 5.863 2.370 398 1HG GLU 49 1HG GLU 49 7.662 7.892 1.404 399 2HG GLU 49 2HG GLU 49 6.082 8.257 2.068 400 H ILE 50 H ILE 50 4.713 4.836 5.370 401 HA ILE 50 HA ILE 50 2.772 4.496 3.416 402 HB ILE 50 HB ILE 50 3.285 2.992 5.298 403 1HG1 ILE 50 1HG1 ILE 50 0.294 3.392 5.099 404 2HG1 ILE 50 2HG1 ILE 50 1.279 2.836 3.739 405 1HG2 ILE 50 1HG2 ILE 50 3.041 4.712 7.159 406 2HG2 ILE 50 2HG2 ILE 50 1.285 4.561 6.973 407 3HG2 ILE 50 3HG2 ILE 50 2.258 3.158 7.460 408 1HD1 ILE 50 1HD1 ILE 50 2.070 0.908 4.996 409 2HD1 ILE 50 2HD1 ILE 50 1.152 1.427 6.437 410 3HD1 ILE 50 3HD1 ILE 50 0.299 0.934 4.971 411 H VAL 51 H VAL 51 0.970 5.173 2.906 412 HA VAL 51 HA VAL 51 -0.609 7.229 4.431 413 HB VAL 51 HB VAL 51 -0.492 6.927 1.406 414 1HG1 VAL 51 1HG1 VAL 51 -1.837 9.008 1.396 415 2HG1 VAL 51 2HG1 VAL 51 -2.707 7.703 2.201 416 3HG1 VAL 51 3HG1 VAL 51 -1.923 8.967 3.173 417 1HG2 VAL 51 1HG2 VAL 51 0.638 9.117 3.197 418 2HG2 VAL 51 2HG2 VAL 51 1.572 7.967 2.211 419 3HG2 VAL 51 3HG2 VAL 51 0.552 9.170 1.420 420 H GLU 52 H GLU 52 -1.842 5.684 5.569 421 HA GLU 52 HA GLU 52 -3.367 3.668 4.043 422 1HB GLU 52 1HB GLU 52 -4.115 4.452 6.850 423 2HB GLU 52 2HB GLU 52 -4.342 2.929 5.967 424 1HG GLU 52 1HG GLU 52 -1.931 2.431 6.227 425 2HG GLU 52 2HG GLU 52 -1.709 3.959 7.079 426 H ILE 53 H ILE 53 -5.154 4.029 2.998 427 HA ILE 53 HA ILE 53 -6.664 6.575 3.175 428 HB ILE 53 HB ILE 53 -6.819 4.154 1.335 429 1HG1 ILE 53 1HG1 ILE 53 -5.930 6.979 0.600 430 2HG1 ILE 53 2HG1 ILE 53 -4.783 5.778 1.165 431 1HG2 ILE 53 1HG2 ILE 53 -8.381 6.773 1.199 432 2HG2 ILE 53 2HG2 ILE 53 -8.316 5.571 -0.102 433 3HG2 ILE 53 3HG2 ILE 53 -9.047 5.135 1.426 434 1HD1 ILE 53 1HD1 ILE 53 -4.716 5.795 -1.222 435 2HD1 ILE 53 2HD1 ILE 53 -5.405 4.253 -0.682 436 3HD1 ILE 53 3HD1 ILE 53 -6.459 5.522 -1.350 437 H VAL 54 H VAL 54 -8.992 6.491 3.557 438 HA VAL 54 HA VAL 54 -9.723 5.015 5.849 439 HB VAL 54 HB VAL 54 -12.059 5.750 5.415 440 1HG1 VAL 54 1HG1 VAL 54 -11.597 8.114 5.802 441 2HG1 VAL 54 2HG1 VAL 54 -10.443 7.109 6.692 442 3HG1 VAL 54 3HG1 VAL 54 -9.937 7.924 5.194 443 1HG2 VAL 54 1HG2 VAL 54 -10.906 7.170 2.968 444 2HG2 VAL 54 2HG2 VAL 54 -12.085 5.840 2.932 445 3HG2 VAL 54 3HG2 VAL 54 -12.524 7.389 3.655 446 HA PRO 55 HA PRO 55 -10.771 1.084 4.052 447 1HB PRO 55 1HB PRO 55 -11.824 -0.224 6.190 448 2HB PRO 55 2HB PRO 55 -10.102 0.260 6.113 449 1HG PRO 55 1HG PRO 55 -12.385 1.747 7.464 450 2HG PRO 55 2HG PRO 55 -10.797 1.288 8.165 451 1HD PRO 55 1HD PRO 55 -11.235 3.759 7.113 452 2HD PRO 55 2HD PRO 55 -9.660 2.932 6.912 453 H SER 56 H SER 56 -13.215 3.245 5.185 454 HA SER 56 HA SER 56 -15.233 2.064 3.391 455 1HB SER 56 1HB SER 56 -15.672 0.991 5.589 456 2HB SER 56 2HB SER 56 -15.825 2.596 6.331 457 HG SER 56 HG SER 56 -17.861 1.693 5.711 Start of MODEL 12 1 H MET 1 H MET 1 -6.125 2.018 -8.405 2 HA MET 1 HA MET 1 -6.950 1.719 -6.265 3 1HB MET 1 1HB MET 1 -9.469 0.971 -7.804 4 2HB MET 1 2HB MET 1 -9.408 1.301 -6.069 5 1HG MET 1 1HG MET 1 -8.540 3.579 -6.536 6 2HG MET 1 2HG MET 1 -8.676 3.270 -8.269 7 1HE MET 1 1HE MET 1 -9.925 5.797 -6.779 8 2HE MET 1 2HE MET 1 -10.041 5.510 -8.532 9 3HE MET 1 3HE MET 1 -11.501 5.899 -7.595 10 H LEU 2 H LEU 2 -6.490 -0.910 -8.206 11 HA LEU 2 HA LEU 2 -6.905 -2.893 -5.990 12 1HB LEU 2 1HB LEU 2 -6.407 -3.432 -8.943 13 2HB LEU 2 2HB LEU 2 -6.701 -4.642 -7.697 14 HG LEU 2 HG LEU 2 -8.729 -2.572 -8.657 15 1HD1 LEU 2 1HD1 LEU 2 -8.558 -5.576 -9.114 16 2HD1 LEU 2 2HD1 LEU 2 -9.871 -4.506 -9.652 17 3HD1 LEU 2 3HD1 LEU 2 -8.243 -4.316 -10.325 18 1HD2 LEU 2 1HD2 LEU 2 -9.077 -4.927 -6.751 19 2HD2 LEU 2 2HD2 LEU 2 -9.136 -3.208 -6.294 20 3HD2 LEU 2 3HD2 LEU 2 -10.372 -3.873 -7.361 21 H CYS 3 H CYS 3 -5.291 -4.192 -5.242 22 HA CYS 3 HA CYS 3 -3.015 -2.811 -4.837 23 1HB CYS 3 1HB CYS 3 -3.261 -5.822 -4.418 24 2HB CYS 3 2HB CYS 3 -2.450 -4.675 -3.434 25 HG CYS 3 HG CYS 3 -4.691 -6.080 -2.705 26 H ALA 4 H ALA 4 -0.931 -2.791 -5.347 27 HA ALA 4 HA ALA 4 -0.204 -3.817 -8.000 28 1HB ALA 4 1HB ALA 4 1.697 -2.589 -6.021 29 2HB ALA 4 2HB ALA 4 1.950 -2.897 -7.732 30 3HB ALA 4 3HB ALA 4 0.709 -1.739 -7.259 31 H ILE 5 H ILE 5 -0.076 -5.082 -4.783 32 HA ILE 5 HA ILE 5 2.170 -6.911 -5.255 33 HB ILE 5 HB ILE 5 0.486 -6.177 -2.824 34 1HG1 ILE 5 1HG1 ILE 5 3.434 -5.759 -3.484 35 2HG1 ILE 5 2HG1 ILE 5 2.180 -4.551 -3.780 36 1HG2 ILE 5 1HG2 ILE 5 2.835 -8.162 -3.134 37 2HG2 ILE 5 2HG2 ILE 5 2.209 -7.616 -1.574 38 3HG2 ILE 5 3HG2 ILE 5 1.185 -8.582 -2.636 39 1HD1 ILE 5 1HD1 ILE 5 3.028 -5.600 -1.072 40 2HD1 ILE 5 2HD1 ILE 5 3.280 -3.984 -1.749 41 3HD1 ILE 5 3HD1 ILE 5 1.634 -4.522 -1.354 42 H SER 6 H SER 6 -1.287 -7.302 -4.355 43 HA SER 6 HA SER 6 -1.197 -10.010 -5.611 44 1HB SER 6 1HB SER 6 -2.865 -9.364 -3.196 45 2HB SER 6 2HB SER 6 -2.724 -10.916 -4.014 46 HG SER 6 HG SER 6 -0.515 -10.972 -3.464 47 H GLY 7 H GLY 7 -2.777 -6.979 -5.824 48 1HA GLY 7 1HA GLY 7 -4.227 -6.352 -7.537 49 2HA GLY 7 2HA GLY 7 -4.175 -8.033 -8.063 50 H LYS 8 H LYS 8 -5.026 -7.683 -4.930 51 HA LYS 8 HA LYS 8 -7.743 -8.735 -5.140 52 1HB LYS 8 1HB LYS 8 -6.088 -9.487 -3.524 53 2HB LYS 8 2HB LYS 8 -5.810 -7.846 -2.950 54 1HG LYS 8 1HG LYS 8 -8.049 -7.812 -1.923 55 2HG LYS 8 2HG LYS 8 -8.396 -9.433 -2.578 56 1HD LYS 8 1HD LYS 8 -6.505 -10.349 -1.260 57 2HD LYS 8 2HD LYS 8 -6.127 -8.717 -0.664 58 1HE LYS 8 1HE LYS 8 -8.439 -8.593 0.314 59 2HE LYS 8 2HE LYS 8 -8.704 -10.281 -0.165 60 1HZ LYS 8 1HZ LYS 8 -6.798 -10.874 1.270 61 2HZ LYS 8 2HZ LYS 8 -6.603 -9.294 1.686 62 3HZ LYS 8 3HZ LYS 8 -7.951 -10.106 2.143 63 H VAL 9 H VAL 9 -9.568 -7.736 -4.055 64 HA VAL 9 HA VAL 9 -9.857 -4.808 -4.409 65 HB VAL 9 HB VAL 9 -11.790 -6.846 -3.225 66 1HG1 VAL 9 1HG1 VAL 9 -13.466 -5.039 -3.519 67 2HG1 VAL 9 2HG1 VAL 9 -12.218 -4.560 -2.364 68 3HG1 VAL 9 3HG1 VAL 9 -12.182 -3.921 -4.024 69 1HG2 VAL 9 1HG2 VAL 9 -13.025 -6.548 -5.342 70 2HG2 VAL 9 2HG2 VAL 9 -11.732 -5.500 -5.960 71 3HG2 VAL 9 3HG2 VAL 9 -11.418 -7.219 -5.639 72 HA PRO 10 HA PRO 10 -7.589 -4.873 -0.575 73 1HB PRO 10 1HB PRO 10 -7.358 -2.184 -0.001 74 2HB PRO 10 2HB PRO 10 -6.407 -3.030 -1.249 75 1HG PRO 10 1HG PRO 10 -8.955 -1.437 -1.637 76 2HG PRO 10 2HG PRO 10 -7.427 -1.345 -2.575 77 1HD PRO 10 1HD PRO 10 -9.533 -2.805 -3.455 78 2HD PRO 10 2HD PRO 10 -7.857 -3.400 -3.657 79 H ARG 11 H ARG 11 -8.391 -5.616 1.218 80 HA ARG 11 HA ARG 11 -10.884 -4.841 2.427 81 1HB ARG 11 1HB ARG 11 -9.807 -7.066 2.735 82 2HB ARG 11 2HB ARG 11 -8.490 -6.308 3.617 83 1HG ARG 11 1HG ARG 11 -10.093 -7.384 5.130 84 2HG ARG 11 2HG ARG 11 -9.973 -5.658 5.435 85 1HD ARG 11 1HD ARG 11 -12.289 -6.420 5.592 86 2HD ARG 11 2HD ARG 11 -12.104 -5.261 4.271 87 HE ARG 11 HE ARG 11 -11.829 -7.998 3.336 88 1HH1 ARG 11 2HH2 ARG 11 -14.325 -5.717 4.244 89 2HH1 ARG 11 1HH2 ARG 11 -15.518 -6.497 3.234 90 1HH2 ARG 11 2HH1 ARG 11 -13.384 -8.936 2.082 91 2HH2 ARG 11 1HH1 ARG 11 -14.991 -8.269 2.055 92 H ARG 12 H ARG 12 -7.498 -4.035 3.333 93 HA ARG 12 HA ARG 12 -8.500 -1.480 4.506 94 1HB ARG 12 1HB ARG 12 -7.930 -3.081 6.243 95 2HB ARG 12 2HB ARG 12 -6.378 -3.429 5.480 96 1HG ARG 12 1HG ARG 12 -6.111 -2.000 7.393 97 2HG ARG 12 2HG ARG 12 -5.602 -1.187 5.911 98 1HD ARG 12 1HD ARG 12 -7.533 0.262 5.919 99 2HD ARG 12 2HD ARG 12 -8.378 -0.775 7.075 100 HE ARG 12 HE ARG 12 -7.391 0.346 8.808 101 1HH1 ARG 12 2HH2 ARG 12 -5.362 1.144 6.010 102 2HH1 ARG 12 1HH2 ARG 12 -4.185 1.877 7.113 103 1HH2 ARG 12 2HH1 ARG 12 -5.863 1.511 9.965 104 2HH2 ARG 12 1HH1 ARG 12 -4.470 2.129 9.072 105 HA PRO 13 HA PRO 13 -5.730 -0.682 0.947 106 1HB PRO 13 1HB PRO 13 -6.673 1.854 0.289 107 2HB PRO 13 2HB PRO 13 -7.363 0.316 -0.279 108 1HG PRO 13 1HG PRO 13 -8.252 1.938 2.140 109 2HG PRO 13 2HG PRO 13 -9.264 1.288 0.796 110 1HD PRO 13 1HD PRO 13 -9.134 -0.158 3.010 111 2HD PRO 13 2HD PRO 13 -8.756 -0.958 1.435 112 H VAL 14 H VAL 14 -4.031 0.424 0.620 113 HA VAL 14 HA VAL 14 -3.080 2.642 2.329 114 HB VAL 14 HB VAL 14 -2.599 0.113 3.221 115 1HG1 VAL 14 1HG1 VAL 14 -0.130 0.733 1.583 116 2HG1 VAL 14 2HG1 VAL 14 -0.191 -0.404 2.926 117 3HG1 VAL 14 3HG1 VAL 14 -1.208 -0.699 1.521 118 1HG2 VAL 14 1HG2 VAL 14 -0.773 1.087 4.579 119 2HG2 VAL 14 2HG2 VAL 14 -0.906 2.563 3.585 120 3HG2 VAL 14 3HG2 VAL 14 -2.285 1.981 4.557 121 H LEU 15 H LEU 15 -1.157 3.743 1.483 122 HA LEU 15 HA LEU 15 -0.393 3.037 -1.323 123 1HB LEU 15 1HB LEU 15 -2.223 4.580 -1.420 124 2HB LEU 15 2HB LEU 15 -1.537 5.648 -0.219 125 HG LEU 15 HG LEU 15 0.008 5.237 -2.782 126 1HD1 LEU 15 1HD1 LEU 15 -1.295 7.060 -3.844 127 2HD1 LEU 15 2HD1 LEU 15 -2.293 5.631 -3.559 128 3HD1 LEU 15 3HD1 LEU 15 -2.439 7.033 -2.480 129 1HD2 LEU 15 1HD2 LEU 15 0.619 7.571 -2.457 130 2HD2 LEU 15 2HD2 LEU 15 -0.541 7.740 -1.123 131 3HD2 LEU 15 3HD2 LEU 15 0.898 6.730 -0.934 132 H SER 16 H SER 16 1.604 3.903 -1.981 133 HA SER 16 HA SER 16 3.421 5.034 0.105 134 1HB SER 16 1HB SER 16 4.190 2.807 -0.487 135 2HB SER 16 2HB SER 16 4.075 3.199 -2.214 136 HG SER 16 HG SER 16 6.196 3.374 -1.362 137 HA PRO 17 HA PRO 17 3.226 8.443 -2.803 138 1HB PRO 17 1HB PRO 17 5.205 10.074 -1.857 139 2HB PRO 17 2HB PRO 17 3.679 9.780 -0.971 140 1HG PRO 17 1HG PRO 17 6.350 8.388 -0.573 141 2HG PRO 17 2HG PRO 17 5.301 9.147 0.673 142 1HD PRO 17 1HD PRO 17 5.231 6.474 0.169 143 2HD PRO 17 2HD PRO 17 3.737 7.377 0.551 144 H LYS 18 H LYS 18 5.680 6.146 -2.804 145 HA LYS 18 HA LYS 18 7.488 7.386 -4.800 146 1HB LYS 18 1HB LYS 18 7.399 4.692 -3.379 147 2HB LYS 18 2HB LYS 18 8.659 5.161 -4.513 148 1HG LYS 18 1HG LYS 18 9.662 6.653 -3.040 149 2HG LYS 18 2HG LYS 18 8.160 7.059 -2.220 150 1HD LYS 18 1HD LYS 18 9.535 5.833 -0.674 151 2HD LYS 18 2HD LYS 18 8.126 4.862 -1.100 152 1HE LYS 18 1HE LYS 18 9.709 3.844 -2.945 153 2HE LYS 18 2HE LYS 18 11.015 4.534 -1.964 154 1HZ LYS 18 1HZ LYS 18 10.532 2.240 -1.314 155 2HZ LYS 18 2HZ LYS 18 10.112 3.212 -0.072 156 3HZ LYS 18 3HZ LYS 18 8.952 2.597 -1.055 157 H SER 19 H SER 19 5.337 4.579 -4.498 158 HA SER 19 HA SER 19 5.313 4.083 -7.406 159 1HB SER 19 1HB SER 19 4.234 1.996 -6.736 160 2HB SER 19 2HB SER 19 5.740 2.294 -5.834 161 HG SER 19 HG SER 19 4.695 2.183 -4.111 162 H ARG 20 H ARG 20 3.142 5.295 -4.954 163 HA ARG 20 HA ARG 20 1.171 6.352 -4.951 164 1HB ARG 20 1HB ARG 20 1.802 6.945 -7.859 165 2HB ARG 20 2HB ARG 20 0.648 7.820 -6.832 166 1HG ARG 20 1HG ARG 20 2.496 8.360 -5.240 167 2HG ARG 20 2HG ARG 20 3.650 7.582 -6.330 168 1HD ARG 20 1HD ARG 20 3.067 9.204 -8.106 169 2HD ARG 20 2HD ARG 20 1.967 10.023 -6.972 170 HE ARG 20 HE ARG 20 4.534 9.754 -5.739 171 1HH1 ARG 20 2HH2 ARG 20 3.133 11.672 -8.315 172 2HH1 ARG 20 1HH2 ARG 20 4.306 12.949 -8.100 173 1HH2 ARG 20 2HH1 ARG 20 5.952 11.355 -5.521 174 2HH2 ARG 20 1HH1 ARG 20 5.879 12.767 -6.545 175 H THR 21 H THR 21 1.202 3.491 -6.248 176 HA THR 21 HA THR 21 -1.568 3.182 -7.205 177 HB THR 21 HB THR 21 0.293 1.575 -7.810 178 HG1 THR 21 1HG THR 21 -0.975 -0.193 -7.608 179 1HG2 THR 21 1HG2 THR 21 1.170 0.046 -6.211 180 2HG2 THR 21 2HG2 THR 21 1.352 1.620 -5.472 181 3HG2 THR 21 3HG2 THR 21 0.021 0.563 -4.964 182 H ILE 22 H ILE 22 -2.946 1.445 -5.812 183 HA ILE 22 HA ILE 22 -2.717 2.018 -2.883 184 HB ILE 22 HB ILE 22 -5.307 1.768 -4.405 185 1HG1 ILE 22 1HG1 ILE 22 -4.184 4.162 -2.876 186 2HG1 ILE 22 2HG1 ILE 22 -4.220 4.032 -4.634 187 1HG2 ILE 22 1HG2 ILE 22 -4.783 2.189 -1.428 188 2HG2 ILE 22 2HG2 ILE 22 -6.382 2.085 -2.203 189 3HG2 ILE 22 3HG2 ILE 22 -5.345 0.673 -2.164 190 1HD1 ILE 22 1HD1 ILE 22 -6.720 3.886 -4.553 191 2HD1 ILE 22 2HD1 ILE 22 -6.634 4.242 -2.806 192 3HD1 ILE 22 3HD1 ILE 22 -6.041 5.421 -3.979 193 H PHE 23 H PHE 23 -2.165 0.269 -1.985 194 HA PHE 23 HA PHE 23 -3.100 -2.378 -2.957 195 1HB PHE 23 1HB PHE 23 -0.876 -3.131 -1.574 196 2HB PHE 23 2HB PHE 23 -0.948 -2.961 -3.311 197 HD1 PHE 23 1HD PHE 23 0.976 -2.036 -4.159 198 HD2 PHE 23 2HD PHE 23 -0.441 -0.718 -0.419 199 HE1 PHE 23 1HE PHE 23 2.764 -0.335 -4.165 200 HE2 PHE 23 2HE PHE 23 1.331 1.109 -0.366 201 HZ PHE 23 HZ PHE 23 2.958 1.251 -2.250 202 H GLU 24 H GLU 24 -3.052 -4.049 -1.330 203 HA GLU 24 HA GLU 24 -4.655 -3.001 0.852 204 1HB GLU 24 1HB GLU 24 -5.610 -4.851 0.100 205 2HB GLU 24 2HB GLU 24 -4.156 -5.754 -0.112 206 1HG GLU 24 1HG GLU 24 -3.950 -6.020 2.351 207 2HG GLU 24 2HG GLU 24 -5.376 -4.993 2.586 208 H LYS 25 H LYS 25 -4.013 -2.782 3.055 209 HA LYS 25 HA LYS 25 -1.347 -2.103 3.643 210 1HB LYS 25 1HB LYS 25 -3.303 -1.269 4.877 211 2HB LYS 25 2HB LYS 25 -3.563 -2.872 5.577 212 1HG LYS 25 1HG LYS 25 -1.404 -2.787 6.714 213 2HG LYS 25 2HG LYS 25 -0.959 -1.301 5.859 214 1HD LYS 25 1HD LYS 25 -2.739 -0.068 7.004 215 2HD LYS 25 2HD LYS 25 -3.266 -1.553 7.839 216 1HE LYS 25 1HE LYS 25 -1.039 -1.738 8.918 217 2HE LYS 25 2HE LYS 25 -0.487 -0.299 8.053 218 1HZ LYS 25 1HZ LYS 25 -2.199 0.987 9.216 219 2HZ LYS 25 2HZ LYS 25 -2.680 -0.341 10.057 220 3HZ LYS 25 3HZ LYS 25 -1.182 0.280 10.289 221 H SER 26 H SER 26 -3.184 -5.061 4.218 222 HA SER 26 HA SER 26 -1.255 -6.438 5.703 223 1HB SER 26 1HB SER 26 -3.265 -7.707 3.807 224 2HB SER 26 2HB SER 26 -2.484 -8.483 5.196 225 HG SER 26 HG SER 26 -4.580 -7.719 5.724 226 H LEU 27 H LEU 27 -1.501 -6.105 2.183 227 HA LEU 27 HA LEU 27 0.413 -8.258 1.587 228 1HB LEU 27 1HB LEU 27 -0.298 -6.080 -0.365 229 2HB LEU 27 2HB LEU 27 0.144 -7.761 -0.654 230 HG LEU 27 HG LEU 27 -2.473 -6.772 0.411 231 1HD1 LEU 27 1HD1 LEU 27 -2.145 -6.110 -1.855 232 2HD1 LEU 27 2HD1 LEU 27 -1.630 -7.748 -2.301 233 3HD1 LEU 27 3HD1 LEU 27 -3.329 -7.439 -1.840 234 1HD2 LEU 27 1HD2 LEU 27 -2.052 -9.039 1.220 235 2HD2 LEU 27 2HD2 LEU 27 -3.358 -9.010 0.029 236 3HD2 LEU 27 3HD2 LEU 27 -1.734 -9.584 -0.443 237 H LEU 28 H LEU 28 0.397 -4.702 1.758 238 HA LEU 28 HA LEU 28 3.136 -4.397 0.857 239 1HB LEU 28 1HB LEU 28 1.475 -2.523 0.807 240 2HB LEU 28 2HB LEU 28 1.562 -2.463 2.572 241 HG LEU 28 HG LEU 28 4.135 -2.137 2.280 242 1HD1 LEU 28 1HD1 LEU 28 4.808 -1.103 0.116 243 2HD1 LEU 28 2HD1 LEU 28 4.421 -2.818 -0.036 244 3HD1 LEU 28 3HD1 LEU 28 3.252 -1.592 -0.580 245 1HD2 LEU 28 1HD2 LEU 28 3.866 0.268 1.850 246 2HD2 LEU 28 2HD2 LEU 28 2.199 -0.036 1.324 247 3HD2 LEU 28 3HD2 LEU 28 2.679 -0.390 2.989 248 H GLU 29 H GLU 29 1.605 -4.512 4.100 249 HA GLU 29 HA GLU 29 3.898 -4.277 5.720 250 1HB GLU 29 1HB GLU 29 1.576 -4.260 6.528 251 2HB GLU 29 2HB GLU 29 1.443 -5.996 6.219 252 1HG GLU 29 1HG GLU 29 3.230 -6.432 7.878 253 2HG GLU 29 2HG GLU 29 3.437 -4.694 8.126 254 H GLN 30 H GLN 30 2.602 -7.205 4.139 255 HA GLN 30 HA GLN 30 4.559 -9.050 5.154 256 1HB GLN 30 1HB GLN 30 2.358 -9.536 3.897 257 2HB GLN 30 2HB GLN 30 3.235 -9.198 2.417 258 1HG GLN 30 1HG GLN 30 3.268 -11.557 2.693 259 2HG GLN 30 2HG GLN 30 4.896 -11.006 3.055 260 1HE2 GLN 30 1HE2 GLN 30 1.820 -12.162 4.537 261 2HE2 GLN 30 2HE2 GLN 30 2.589 -12.661 6.038 262 H TYR 31 H TYR 31 4.512 -7.111 2.144 263 HA TYR 31 HA TYR 31 6.950 -8.227 1.079 264 1HB TYR 31 1HB TYR 31 5.020 -7.224 -0.198 265 2HB TYR 31 2HB TYR 31 5.500 -5.639 0.385 266 HD1 TYR 31 1HD TYR 31 6.744 -4.347 -1.148 267 HD2 TYR 31 2HD TYR 31 7.091 -8.629 -1.243 268 HE1 TYR 31 1HE TYR 31 8.273 -4.204 -3.116 269 HE2 TYR 31 2HE TYR 31 8.497 -8.452 -3.338 270 HH TYR 31 HH TYR 31 9.561 -7.069 -4.775 271 H VAL 32 H VAL 32 6.190 -5.364 2.940 272 HA VAL 32 HA VAL 32 8.837 -4.275 2.636 273 HB VAL 32 HB VAL 32 6.557 -3.069 2.822 274 1HG1 VAL 32 1HG1 VAL 32 7.074 -3.041 5.824 275 2HG1 VAL 32 2HG1 VAL 32 5.651 -2.461 4.921 276 3HG1 VAL 32 3HG1 VAL 32 5.978 -4.190 5.043 277 1HG2 VAL 32 1HG2 VAL 32 8.873 -1.976 4.472 278 2HG2 VAL 32 2HG2 VAL 32 8.507 -1.695 2.740 279 3HG2 VAL 32 3HG2 VAL 32 7.439 -1.064 3.988 280 H LYS 33 H LYS 33 7.391 -6.326 4.949 281 HA LYS 33 HA LYS 33 9.690 -6.057 6.860 282 1HB LYS 33 1HB LYS 33 8.596 -7.298 8.432 283 2HB LYS 33 2HB LYS 33 7.315 -6.336 7.706 284 1HG LYS 33 1HG LYS 33 6.693 -8.382 6.330 285 2HG LYS 33 2HG LYS 33 7.915 -9.293 7.225 286 1HD LYS 33 1HD LYS 33 6.737 -8.812 9.354 287 2HD LYS 33 2HD LYS 33 5.568 -7.808 8.491 288 1HE LYS 33 1HE LYS 33 4.547 -9.935 8.941 289 2HE LYS 33 2HE LYS 33 4.793 -9.765 7.203 290 1HZ LYS 33 1HZ LYS 33 6.748 -11.195 7.403 291 2HZ LYS 33 2HZ LYS 33 6.534 -11.344 9.027 292 3HZ LYS 33 3HZ LYS 33 5.441 -11.962 7.975 293 H ASP 34 H ASP 34 8.815 -7.808 4.122 294 HA ASP 34 HA ASP 34 10.655 -10.064 4.418 295 1HB ASP 34 1HB ASP 34 8.745 -9.078 2.425 296 2HB ASP 34 2HB ASP 34 10.244 -9.433 1.647 297 H THR 35 H THR 35 10.699 -7.132 2.366 298 HA THR 35 HA THR 35 13.697 -6.995 2.523 299 HB THR 35 HB THR 35 13.787 -6.555 0.144 300 HG1 THR 35 1HG THR 35 11.952 -6.913 -1.117 301 1HG2 THR 35 1HG2 THR 35 12.342 -9.186 0.597 302 2HG2 THR 35 2HG2 THR 35 13.426 -8.761 -0.742 303 3HG2 THR 35 3HG2 THR 35 14.070 -8.896 0.905 304 H GLY 36 H GLY 36 10.696 -5.304 2.544 305 1HA GLY 36 1HA GLY 36 10.382 -3.124 3.276 306 2HA GLY 36 2HA GLY 36 12.086 -2.790 3.118 307 H ASN 37 H ASN 37 11.585 -4.057 0.235 308 HA ASN 37 HA ASN 37 11.774 -1.443 -1.055 309 1HB ASN 37 1HB ASN 37 11.402 -4.233 -2.235 310 2HB ASN 37 2HB ASN 37 11.898 -2.811 -3.133 311 1HD2 ASN 37 1HD2 ASN 37 14.087 -1.817 -2.575 312 2HD2 ASN 37 2HD2 ASN 37 15.251 -2.898 -1.822 313 H ASP 38 H ASP 38 10.307 -0.306 -2.331 314 HA ASP 38 HA ASP 38 7.459 -0.863 -2.126 315 1HB ASP 38 1HB ASP 38 9.124 1.223 -3.362 316 2HB ASP 38 2HB ASP 38 7.886 0.697 -4.474 317 HA PRO 39 HA PRO 39 7.260 -4.153 -5.092 318 1HB PRO 39 1HB PRO 39 4.663 -4.145 -5.918 319 2HB PRO 39 2HB PRO 39 5.183 -4.542 -4.253 320 1HG PRO 39 1HG PRO 39 4.230 -1.852 -5.297 321 2HG PRO 39 2HG PRO 39 3.608 -2.753 -3.877 322 1HD PRO 39 1HD PRO 39 5.439 -0.812 -3.566 323 2HD PRO 39 2HD PRO 39 5.575 -2.329 -2.622 324 H ILE 40 H ILE 40 7.254 -0.997 -6.222 325 HA ILE 40 HA ILE 40 7.071 -1.778 -9.127 326 HB ILE 40 HB ILE 40 5.835 0.574 -7.689 327 1HG1 ILE 40 1HG1 ILE 40 4.526 -1.181 -9.793 328 2HG1 ILE 40 2HG1 ILE 40 4.660 -1.775 -8.143 329 1HG2 ILE 40 1HG2 ILE 40 5.195 1.472 -9.954 330 2HG2 ILE 40 2HG2 ILE 40 6.919 1.574 -9.637 331 3HG2 ILE 40 3HG2 ILE 40 6.291 0.291 -10.693 332 1HD1 ILE 40 1HD1 ILE 40 3.334 0.875 -8.811 333 2HD1 ILE 40 2HD1 ILE 40 2.487 -0.667 -8.610 334 3HD1 ILE 40 3HD1 ILE 40 3.387 0.022 -7.243 335 H THR 41 H THR 41 8.328 0.758 -6.864 336 HA THR 41 HA THR 41 10.391 1.500 -8.837 337 HB THR 41 HB THR 41 11.147 3.150 -7.219 338 HG1 THR 41 1HG THR 41 8.923 2.207 -5.802 339 1HG2 THR 41 1HG2 THR 41 9.185 4.605 -7.245 340 2HG2 THR 41 2HG2 THR 41 9.353 3.785 -8.807 341 3HG2 THR 41 3HG2 THR 41 8.124 3.236 -7.646 342 H ASN 42 H ASN 42 10.088 -0.742 -6.299 343 HA ASN 42 HA ASN 42 11.324 -1.748 -4.825 344 1HB ASN 42 1HB ASN 42 12.624 -3.312 -5.579 345 2HB ASN 42 2HB ASN 42 12.002 -2.780 -7.136 346 1HD2 ASN 42 1HD2 ASN 42 13.716 -0.502 -7.618 347 2HD2 ASN 42 2HD2 ASN 42 15.345 -1.161 -7.784 348 H GLU 43 H GLU 43 11.580 1.113 -4.757 349 HA GLU 43 HA GLU 43 14.272 1.622 -3.676 350 1HB GLU 43 1HB GLU 43 11.673 3.145 -3.622 351 2HB GLU 43 2HB GLU 43 13.146 3.748 -2.856 352 1HG GLU 43 1HG GLU 43 13.625 2.877 -5.643 353 2HG GLU 43 2HG GLU 43 12.309 4.023 -5.538 354 HA PRO 44 HA PRO 44 13.415 -0.581 0.029 355 1HB PRO 44 1HB PRO 44 15.452 0.208 1.685 356 2HB PRO 44 2HB PRO 44 15.674 -0.830 0.246 357 1HG PRO 44 1HG PRO 44 16.066 2.173 0.444 358 2HG PRO 44 2HG PRO 44 17.177 0.949 -0.257 359 1HD PRO 44 1HD PRO 44 15.488 2.395 -1.819 360 2HD PRO 44 2HD PRO 44 15.808 0.668 -2.167 361 H LEU 45 H LEU 45 12.150 -0.469 1.650 362 HA LEU 45 HA LEU 45 10.914 0.018 3.404 363 1HB LEU 45 1HB LEU 45 12.722 2.394 3.822 364 2HB LEU 45 2HB LEU 45 11.332 2.070 4.849 365 HG LEU 45 HG LEU 45 13.436 -0.077 4.360 366 1HD1 LEU 45 1HD1 LEU 45 14.594 1.907 5.265 367 2HD1 LEU 45 2HD1 LEU 45 13.395 2.023 6.574 368 3HD1 LEU 45 3HD1 LEU 45 14.493 0.625 6.480 369 1HD2 LEU 45 1HD2 LEU 45 12.635 -0.926 6.534 370 2HD2 LEU 45 2HD2 LEU 45 11.453 0.395 6.628 371 3HD2 LEU 45 3HD2 LEU 45 11.319 -0.851 5.366 372 H SER 46 H SER 46 8.952 0.693 3.668 373 HA SER 46 HA SER 46 7.797 2.623 1.711 374 1HB SER 46 1HB SER 46 7.786 0.085 1.076 375 2HB SER 46 2HB SER 46 6.462 -0.018 2.228 376 HG SER 46 HG SER 46 6.614 1.525 -0.152 377 H ILE 47 H ILE 47 6.945 0.468 4.399 378 HA ILE 47 HA ILE 47 4.901 1.930 5.470 379 HB ILE 47 HB ILE 47 5.567 -0.437 5.981 380 1HG1 ILE 47 1HG1 ILE 47 4.876 -0.476 8.377 381 2HG1 ILE 47 2HG1 ILE 47 4.905 1.292 8.388 382 1HG2 ILE 47 1HG2 ILE 47 7.976 -0.017 6.487 383 2HG2 ILE 47 2HG2 ILE 47 7.490 0.757 8.016 384 3HG2 ILE 47 3HG2 ILE 47 7.148 -0.960 7.733 385 1HD1 ILE 47 1HD1 ILE 47 2.626 0.312 7.992 386 2HD1 ILE 47 2HD1 ILE 47 3.157 1.341 6.653 387 3HD1 ILE 47 3HD1 ILE 47 3.227 -0.426 6.487 388 H GLU 48 H GLU 48 8.246 2.529 5.933 389 HA GLU 48 HA GLU 48 8.024 4.543 8.019 390 1HB GLU 48 1HB GLU 48 10.201 3.957 5.972 391 2HB GLU 48 2HB GLU 48 10.360 5.120 7.288 392 1HG GLU 48 1HG GLU 48 9.910 2.122 7.643 393 2HG GLU 48 2HG GLU 48 11.450 2.953 7.773 394 H GLU 49 H GLU 49 6.980 4.462 4.844 395 HA GLU 49 HA GLU 49 6.979 7.450 4.570 396 1HB GLU 49 1HB GLU 49 7.392 5.399 2.350 397 2HB GLU 49 2HB GLU 49 7.255 7.133 2.112 398 1HG GLU 49 1HG GLU 49 9.502 5.685 3.578 399 2HG GLU 49 2HG GLU 49 9.568 6.358 1.959 400 H ILE 50 H ILE 50 5.104 5.011 5.258 401 HA ILE 50 HA ILE 50 3.169 4.758 3.357 402 HB ILE 50 HB ILE 50 3.651 3.430 5.460 403 1HG1 ILE 50 1HG1 ILE 50 1.288 2.554 5.670 404 2HG1 ILE 50 2HG1 ILE 50 0.806 3.788 4.510 405 1HG2 ILE 50 1HG2 ILE 50 1.521 5.154 6.760 406 2HG2 ILE 50 2HG2 ILE 50 2.367 3.761 7.459 407 3HG2 ILE 50 3HG2 ILE 50 3.266 5.243 7.108 408 1HD1 ILE 50 1HD1 ILE 50 2.973 1.671 4.064 409 2HD1 ILE 50 2HD1 ILE 50 1.316 1.560 3.467 410 3HD1 ILE 50 3HD1 ILE 50 2.385 2.815 2.840 411 H VAL 51 H VAL 51 1.334 5.429 2.826 412 HA VAL 51 HA VAL 51 -0.072 7.722 4.171 413 HB VAL 51 HB VAL 51 0.038 7.206 1.181 414 1HG1 VAL 51 1HG1 VAL 51 -1.343 9.413 2.775 415 2HG1 VAL 51 2HG1 VAL 51 -1.231 9.326 1.004 416 3HG1 VAL 51 3HG1 VAL 51 -2.155 8.110 1.884 417 1HG2 VAL 51 1HG2 VAL 51 1.201 9.494 2.824 418 2HG2 VAL 51 2HG2 VAL 51 2.127 8.239 1.976 419 3HG2 VAL 51 3HG2 VAL 51 1.173 9.395 1.046 420 H GLU 52 H GLU 52 -1.342 6.291 5.421 421 HA GLU 52 HA GLU 52 -2.655 4.051 4.099 422 1HB GLU 52 1HB GLU 52 -3.520 4.988 6.820 423 2HB GLU 52 2HB GLU 52 -3.524 3.375 6.075 424 1HG GLU 52 1HG GLU 52 -1.046 3.309 6.242 425 2HG GLU 52 2HG GLU 52 -1.066 4.883 7.051 426 H ILE 53 H ILE 53 -4.779 3.717 3.575 427 HA ILE 53 HA ILE 53 -6.347 6.197 3.044 428 HB ILE 53 HB ILE 53 -6.456 3.495 1.713 429 1HG1 ILE 53 1HG1 ILE 53 -4.288 4.394 1.173 430 2HG1 ILE 53 2HG1 ILE 53 -5.325 4.451 -0.233 431 1HG2 ILE 53 1HG2 ILE 53 -7.746 6.133 0.937 432 2HG2 ILE 53 2HG2 ILE 53 -7.678 4.699 -0.111 433 3HG2 ILE 53 3HG2 ILE 53 -8.560 4.623 1.413 434 1HD1 ILE 53 1HD1 ILE 53 -3.964 6.474 -0.070 435 2HD1 ILE 53 2HD1 ILE 53 -5.673 6.896 0.110 436 3HD1 ILE 53 3HD1 ILE 53 -4.609 6.831 1.539 437 H VAL 54 H VAL 54 -8.497 6.308 3.583 438 HA VAL 54 HA VAL 54 -9.407 4.819 5.862 439 HB VAL 54 HB VAL 54 -11.100 6.587 4.054 440 1HG1 VAL 54 1HG1 VAL 54 -12.390 5.209 5.691 441 2HG1 VAL 54 2HG1 VAL 54 -11.369 5.830 7.005 442 3HG1 VAL 54 3HG1 VAL 54 -12.437 6.922 6.100 443 1HG2 VAL 54 1HG2 VAL 54 -9.166 7.894 4.812 444 2HG2 VAL 54 2HG2 VAL 54 -10.599 8.383 5.710 445 3HG2 VAL 54 3HG2 VAL 54 -9.398 7.323 6.479 446 HA PRO 55 HA PRO 55 -10.784 1.351 3.418 447 1HB PRO 55 1HB PRO 55 -11.775 -0.315 5.342 448 2HB PRO 55 2HB PRO 55 -10.041 0.096 5.212 449 1HG PRO 55 1HG PRO 55 -12.116 1.403 7.006 450 2HG PRO 55 2HG PRO 55 -10.522 0.731 7.478 451 1HD PRO 55 1HD PRO 55 -10.841 3.377 6.967 452 2HD PRO 55 2HD PRO 55 -9.363 2.521 6.442 453 H SER 56 H SER 56 -13.083 3.394 4.929 454 HA SER 56 HA SER 56 -15.298 2.288 3.282 455 1HB SER 56 1HB SER 56 -15.513 1.259 5.528 456 2HB SER 56 2HB SER 56 -15.560 2.877 6.255 457 HG SER 56 HG SER 56 -17.667 1.993 5.863 Start of MODEL 13 1 H MET 1 H MET 1 -6.025 2.159 -8.073 2 HA MET 1 HA MET 1 -7.298 1.328 -5.926 3 1HB MET 1 1HB MET 1 -8.364 1.017 -8.762 4 2HB MET 1 2HB MET 1 -9.362 0.834 -7.322 5 1HG MET 1 1HG MET 1 -9.717 3.034 -8.037 6 2HG MET 1 2HG MET 1 -8.723 3.125 -6.585 7 1HE MET 1 1HE MET 1 -7.599 6.315 -8.495 8 2HE MET 1 2HE MET 1 -9.231 5.632 -8.337 9 3HE MET 1 3HE MET 1 -8.123 5.631 -6.945 10 H LEU 2 H LEU 2 -5.625 -0.916 -7.673 11 HA LEU 2 HA LEU 2 -6.577 -3.055 -5.906 12 1HB LEU 2 1HB LEU 2 -6.705 -4.763 -7.476 13 2HB LEU 2 2HB LEU 2 -7.657 -3.461 -8.165 14 HG LEU 2 HG LEU 2 -4.816 -4.241 -9.003 15 1HD1 LEU 2 1HD1 LEU 2 -5.891 -5.133 -11.014 16 2HD1 LEU 2 2HD1 LEU 2 -6.511 -5.932 -9.564 17 3HD1 LEU 2 3HD1 LEU 2 -7.492 -4.692 -10.374 18 1HD2 LEU 2 1HD2 LEU 2 -6.765 -2.235 -10.225 19 2HD2 LEU 2 2HD2 LEU 2 -5.161 -1.883 -9.536 20 3HD2 LEU 2 3HD2 LEU 2 -5.285 -2.828 -11.018 21 H CYS 3 H CYS 3 -5.032 -4.396 -5.051 22 HA CYS 3 HA CYS 3 -2.759 -3.059 -4.637 23 1HB CYS 3 1HB CYS 3 -2.968 -6.041 -4.072 24 2HB CYS 3 2HB CYS 3 -2.239 -4.808 -3.120 25 HG CYS 3 HG CYS 3 -4.445 -6.203 -2.340 26 H ALA 4 H ALA 4 -0.773 -2.859 -5.162 27 HA ALA 4 HA ALA 4 0.147 -4.024 -7.681 28 1HB ALA 4 1HB ALA 4 1.853 -2.515 -5.708 29 2HB ALA 4 2HB ALA 4 2.120 -2.743 -7.428 30 3HB ALA 4 3HB ALA 4 0.772 -1.724 -6.889 31 H ILE 5 H ILE 5 0.265 -5.102 -4.391 32 HA ILE 5 HA ILE 5 2.551 -6.941 -4.815 33 HB ILE 5 HB ILE 5 0.711 -6.395 -2.483 34 1HG1 ILE 5 1HG1 ILE 5 3.174 -5.878 -1.518 35 2HG1 ILE 5 2HG1 ILE 5 3.432 -5.450 -3.207 36 1HG2 ILE 5 1HG2 ILE 5 2.252 -7.906 -1.168 37 2HG2 ILE 5 2HG2 ILE 5 1.374 -8.802 -2.398 38 3HG2 ILE 5 3HG2 ILE 5 3.072 -8.344 -2.674 39 1HD1 ILE 5 1HD1 ILE 5 1.515 -3.865 -3.070 40 2HD1 ILE 5 2HD1 ILE 5 1.171 -4.417 -1.409 41 3HD1 ILE 5 3HD1 ILE 5 2.660 -3.548 -1.769 42 H SER 6 H SER 6 -0.935 -7.306 -4.033 43 HA SER 6 HA SER 6 -0.831 -10.093 -5.126 44 1HB SER 6 1HB SER 6 -1.011 -9.798 -2.621 45 2HB SER 6 2HB SER 6 -2.656 -9.198 -2.919 46 HG SER 6 HG SER 6 -3.005 -11.244 -4.057 47 H GLY 7 H GLY 7 -2.472 -7.109 -5.577 48 1HA GLY 7 1HA GLY 7 -3.844 -6.606 -7.384 49 2HA GLY 7 2HA GLY 7 -3.809 -8.322 -7.782 50 H LYS 8 H LYS 8 -4.735 -7.822 -4.704 51 HA LYS 8 HA LYS 8 -7.493 -8.731 -4.935 52 1HB LYS 8 1HB LYS 8 -5.897 -9.447 -3.244 53 2HB LYS 8 2HB LYS 8 -5.601 -7.795 -2.731 54 1HG LYS 8 1HG LYS 8 -7.881 -7.686 -1.762 55 2HG LYS 8 2HG LYS 8 -8.246 -9.303 -2.417 56 1HD LYS 8 1HD LYS 8 -6.376 -10.241 -1.034 57 2HD LYS 8 2HD LYS 8 -6.042 -8.622 -0.430 58 1HE LYS 8 1HE LYS 8 -7.278 -9.698 1.275 59 2HE LYS 8 2HE LYS 8 -8.359 -8.521 0.531 60 1HZ LYS 8 1HZ LYS 8 -9.428 -10.704 0.881 61 2HZ LYS 8 2HZ LYS 8 -9.388 -10.356 -0.718 62 3HZ LYS 8 3HZ LYS 8 -8.341 -11.441 -0.077 63 H VAL 9 H VAL 9 -9.298 -7.605 -3.923 64 HA VAL 9 HA VAL 9 -9.472 -4.720 -4.471 65 HB VAL 9 HB VAL 9 -11.338 -6.031 -5.065 66 1HG1 VAL 9 1HG1 VAL 9 -11.875 -6.772 -2.166 67 2HG1 VAL 9 2HG1 VAL 9 -12.854 -7.154 -3.584 68 3HG1 VAL 9 3HG1 VAL 9 -11.260 -7.887 -3.409 69 1HG2 VAL 9 1HG2 VAL 9 -11.675 -3.706 -4.314 70 2HG2 VAL 9 2HG2 VAL 9 -13.100 -4.721 -4.026 71 3HG2 VAL 9 3HG2 VAL 9 -12.036 -4.287 -2.671 72 HA PRO 10 HA PRO 10 -7.357 -4.330 -0.574 73 1HB PRO 10 1HB PRO 10 -8.077 -1.413 -0.745 74 2HB PRO 10 2HB PRO 10 -6.488 -2.176 -0.426 75 1HG PRO 10 1HG PRO 10 -7.107 -1.120 -2.860 76 2HG PRO 10 2HG PRO 10 -6.174 -2.639 -2.728 77 1HD PRO 10 1HD PRO 10 -9.118 -2.276 -3.302 78 2HD PRO 10 2HD PRO 10 -7.940 -3.384 -4.056 79 H ARG 11 H ARG 11 -8.295 -5.138 1.220 80 HA ARG 11 HA ARG 11 -10.778 -4.053 2.382 81 1HB ARG 11 1HB ARG 11 -8.735 -5.967 3.596 82 2HB ARG 11 2HB ARG 11 -10.338 -5.603 4.234 83 1HG ARG 11 1HG ARG 11 -9.712 -7.059 1.628 84 2HG ARG 11 2HG ARG 11 -10.386 -7.741 3.114 85 1HD ARG 11 1HD ARG 11 -12.399 -6.249 2.810 86 2HD ARG 11 2HD ARG 11 -11.711 -5.731 1.254 87 HE ARG 11 HE ARG 11 -12.004 -8.638 1.553 88 1HH1 ARG 11 2HH2 ARG 11 -13.693 -5.774 0.463 89 2HH1 ARG 11 1HH2 ARG 11 -14.758 -6.690 -0.573 90 1HH2 ARG 11 2HH1 ARG 11 -13.384 -9.741 0.226 91 2HH2 ARG 11 1HH1 ARG 11 -14.575 -8.872 -0.694 92 H ARG 12 H ARG 12 -7.319 -3.691 3.057 93 HA ARG 12 HA ARG 12 -7.947 -1.143 4.549 94 1HB ARG 12 1HB ARG 12 -5.717 -3.139 4.997 95 2HB ARG 12 2HB ARG 12 -5.700 -1.474 5.613 96 1HG ARG 12 1HG ARG 12 -7.817 -1.919 6.848 97 2HG ARG 12 2HG ARG 12 -7.792 -3.590 6.265 98 1HD ARG 12 1HD ARG 12 -6.919 -3.558 8.502 99 2HD ARG 12 2HD ARG 12 -5.586 -3.925 7.397 100 HE ARG 12 HE ARG 12 -5.520 -1.109 7.786 101 1HH1 ARG 12 2HH2 ARG 12 -5.173 -3.856 9.949 102 2HH1 ARG 12 1HH2 ARG 12 -4.205 -2.920 11.058 103 1HH2 ARG 12 2HH1 ARG 12 -4.334 -0.073 9.104 104 2HH2 ARG 12 1HH1 ARG 12 -3.780 -0.761 10.635 105 HA PRO 13 HA PRO 13 -5.956 -0.121 0.503 106 1HB PRO 13 1HB PRO 13 -7.157 2.396 0.263 107 2HB PRO 13 2HB PRO 13 -7.785 0.871 -0.404 108 1HG PRO 13 1HG PRO 13 -8.500 2.171 2.242 109 2HG PRO 13 2HG PRO 13 -9.604 1.480 1.002 110 1HD PRO 13 1HD PRO 13 -9.004 -0.036 3.099 111 2HD PRO 13 2HD PRO 13 -8.794 -0.741 1.451 112 H VAL 14 H VAL 14 -4.090 0.574 0.482 113 HA VAL 14 HA VAL 14 -3.223 2.989 1.999 114 HB VAL 14 HB VAL 14 -2.815 0.977 3.434 115 1HG1 VAL 14 1HG1 VAL 14 -0.846 -0.421 2.963 116 2HG1 VAL 14 2HG1 VAL 14 -2.107 -0.668 1.727 117 3HG1 VAL 14 3HG1 VAL 14 -0.675 0.346 1.398 118 1HG2 VAL 14 1HG2 VAL 14 -1.396 3.113 3.542 119 2HG2 VAL 14 2HG2 VAL 14 -0.761 1.652 4.256 120 3HG2 VAL 14 3HG2 VAL 14 -0.157 2.224 2.675 121 H LEU 15 H LEU 15 -1.383 3.975 1.346 122 HA LEU 15 HA LEU 15 -0.537 3.521 -1.483 123 1HB LEU 15 1HB LEU 15 -2.259 5.177 -1.444 124 2HB LEU 15 2HB LEU 15 -1.677 5.876 0.054 125 HG LEU 15 HG LEU 15 0.302 6.824 -1.164 126 1HD1 LEU 15 1HD1 LEU 15 0.308 5.377 -3.179 127 2HD1 LEU 15 2HD1 LEU 15 -1.298 5.980 -3.622 128 3HD1 LEU 15 3HD1 LEU 15 0.092 7.082 -3.612 129 1HD2 LEU 15 1HD2 LEU 15 -1.709 8.142 -0.623 130 2HD2 LEU 15 2HD2 LEU 15 -0.996 8.648 -2.162 131 3HD2 LEU 15 3HD2 LEU 15 -2.459 7.633 -2.153 132 H SER 16 H SER 16 1.503 4.227 -2.005 133 HA SER 16 HA SER 16 3.330 5.277 0.105 134 1HB SER 16 1HB SER 16 3.983 2.959 -0.320 135 2HB SER 16 2HB SER 16 4.055 3.292 -2.066 136 HG SER 16 HG SER 16 6.091 3.433 -1.127 137 HA PRO 17 HA PRO 17 3.447 8.603 -3.013 138 1HB PRO 17 1HB PRO 17 5.971 9.176 -1.446 139 2HB PRO 17 2HB PRO 17 4.742 10.328 -2.055 140 1HG PRO 17 1HG PRO 17 4.714 9.573 0.539 141 2HG PRO 17 2HG PRO 17 3.169 9.633 -0.375 142 1HD PRO 17 1HD PRO 17 4.863 7.209 0.276 143 2HD PRO 17 2HD PRO 17 3.089 7.414 0.346 144 H LYS 18 H LYS 18 5.627 6.007 -2.793 145 HA LYS 18 HA LYS 18 7.531 6.933 -4.849 146 1HB LYS 18 1HB LYS 18 7.468 4.278 -3.392 147 2HB LYS 18 2HB LYS 18 8.800 4.975 -4.312 148 1HG LYS 18 1HG LYS 18 8.885 6.852 -2.612 149 2HG LYS 18 2HG LYS 18 7.638 6.001 -1.678 150 1HD LYS 18 1HD LYS 18 9.196 3.992 -1.595 151 2HD LYS 18 2HD LYS 18 10.449 5.067 -2.274 152 1HE LYS 18 1HE LYS 18 10.165 6.613 -0.375 153 2HE LYS 18 2HE LYS 18 8.898 5.577 0.291 154 1HZ LYS 18 1HZ LYS 18 11.056 5.181 1.340 155 2HZ LYS 18 2HZ LYS 18 10.528 3.823 0.610 156 3HZ LYS 18 3HZ LYS 18 11.721 4.718 -0.076 157 H SER 19 H SER 19 5.633 3.849 -4.556 158 HA SER 19 HA SER 19 5.466 3.476 -7.411 159 1HB SER 19 1HB SER 19 3.801 2.284 -5.163 160 2HB SER 19 2HB SER 19 3.852 1.705 -6.841 161 HG SER 19 HG SER 19 5.804 1.672 -4.829 162 H ARG 20 H ARG 20 3.395 5.086 -5.065 163 HA ARG 20 HA ARG 20 1.508 6.277 -5.113 164 1HB ARG 20 1HB ARG 20 2.169 6.805 -8.025 165 2HB ARG 20 2HB ARG 20 1.024 7.719 -7.028 166 1HG ARG 20 1HG ARG 20 2.851 8.254 -5.420 167 2HG ARG 20 2HG ARG 20 4.006 7.431 -6.483 168 1HD ARG 20 1HD ARG 20 3.478 9.032 -8.294 169 2HD ARG 20 2HD ARG 20 2.361 9.883 -7.199 170 HE ARG 20 HE ARG 20 4.927 9.596 -5.936 171 1HH1 ARG 20 2HH2 ARG 20 3.519 11.538 -8.491 172 2HH1 ARG 20 1HH2 ARG 20 4.675 12.826 -8.253 173 1HH2 ARG 20 2HH1 ARG 20 6.329 11.226 -5.690 174 2HH2 ARG 20 1HH1 ARG 20 6.231 12.650 -6.695 175 H THR 21 H THR 21 1.433 3.347 -6.258 176 HA THR 21 HA THR 21 -1.265 3.071 -7.313 177 HB THR 21 HB THR 21 -0.703 0.665 -7.012 178 HG1 THR 21 1HG THR 21 0.605 0.894 -5.140 179 1HG2 THR 21 1HG2 THR 21 1.759 2.075 -8.126 180 2HG2 THR 21 2HG2 THR 21 1.152 0.466 -8.535 181 3HG2 THR 21 3HG2 THR 21 0.234 1.902 -9.040 182 H ILE 22 H ILE 22 -2.738 1.375 -5.988 183 HA ILE 22 HA ILE 22 -2.641 1.980 -3.057 184 HB ILE 22 HB ILE 22 -5.137 1.674 -4.721 185 1HG1 ILE 22 1HG1 ILE 22 -4.054 4.171 -3.327 186 2HG1 ILE 22 2HG1 ILE 22 -3.996 3.894 -5.068 187 1HG2 ILE 22 1HG2 ILE 22 -5.324 0.752 -2.411 188 2HG2 ILE 22 2HG2 ILE 22 -4.739 2.293 -1.755 189 3HG2 ILE 22 3HG2 ILE 22 -6.306 2.197 -2.588 190 1HD1 ILE 22 1HD1 ILE 22 -5.827 5.351 -4.636 191 2HD1 ILE 22 2HD1 ILE 22 -6.487 3.784 -5.143 192 3HD1 ILE 22 3HD1 ILE 22 -6.518 4.263 -3.424 193 H PHE 23 H PHE 23 -2.211 0.290 -2.004 194 HA PHE 23 HA PHE 23 -3.050 -2.425 -2.889 195 1HB PHE 23 1HB PHE 23 -0.831 -3.034 -1.453 196 2HB PHE 23 2HB PHE 23 -0.884 -2.908 -3.196 197 HD1 PHE 23 1HD PHE 23 0.734 -1.583 -4.222 198 HD2 PHE 23 2HD PHE 23 -0.309 -0.902 -0.202 199 HE1 PHE 23 1HE PHE 23 2.485 0.156 -4.143 200 HE2 PHE 23 2HE PHE 23 1.283 1.122 -0.124 201 HZ PHE 23 HZ PHE 23 2.712 1.573 -2.099 202 H GLU 24 H GLU 24 -2.676 -4.023 -1.018 203 HA GLU 24 HA GLU 24 -4.529 -3.006 1.019 204 1HB GLU 24 1HB GLU 24 -5.373 -4.900 0.040 205 2HB GLU 24 2HB GLU 24 -3.890 -5.809 0.201 206 1HG GLU 24 1HG GLU 24 -4.125 -5.890 2.628 207 2HG GLU 24 2HG GLU 24 -5.481 -4.753 2.581 208 H LYS 25 H LYS 25 -3.867 -2.684 3.156 209 HA LYS 25 HA LYS 25 -1.159 -2.270 3.799 210 1HB LYS 25 1HB LYS 25 -3.139 -1.213 4.934 211 2HB LYS 25 2HB LYS 25 -3.546 -2.784 5.624 212 1HG LYS 25 1HG LYS 25 -2.534 -1.538 7.327 213 2HG LYS 25 2HG LYS 25 -1.373 -2.780 6.879 214 1HD LYS 25 1HD LYS 25 -0.132 -1.084 5.507 215 2HD LYS 25 2HD LYS 25 -1.307 0.145 6.002 216 1HE LYS 25 1HE LYS 25 0.586 -1.397 7.832 217 2HE LYS 25 2HE LYS 25 0.778 0.274 7.306 218 1HZ LYS 25 1HZ LYS 25 -0.210 0.357 9.446 219 2HZ LYS 25 2HZ LYS 25 -1.461 0.684 8.423 220 3HZ LYS 25 3HZ LYS 25 -1.317 -0.789 9.103 221 H SER 26 H SER 26 -3.240 -5.043 4.447 222 HA SER 26 HA SER 26 -1.495 -6.430 6.075 223 1HB SER 26 1HB SER 26 -3.366 -7.686 4.034 224 2HB SER 26 2HB SER 26 -2.712 -8.476 5.481 225 HG SER 26 HG SER 26 -4.828 -7.629 5.825 226 H LEU 27 H LEU 27 -1.511 -6.374 2.502 227 HA LEU 27 HA LEU 27 0.692 -8.365 2.444 228 1HB LEU 27 1HB LEU 27 0.144 -8.617 0.018 229 2HB LEU 27 2HB LEU 27 -0.936 -9.237 1.237 230 HG LEU 27 HG LEU 27 -2.168 -6.862 0.781 231 1HD1 LEU 27 1HD1 LEU 27 -2.344 -6.521 -1.614 232 2HD1 LEU 27 2HD1 LEU 27 -0.764 -6.091 -0.926 233 3HD1 LEU 27 3HD1 LEU 27 -0.967 -7.623 -1.842 234 1HD2 LEU 27 1HD2 LEU 27 -3.709 -8.171 -0.709 235 2HD2 LEU 27 2HD2 LEU 27 -2.529 -9.507 -0.657 236 3HD2 LEU 27 3HD2 LEU 27 -3.321 -8.955 0.827 237 H LEU 28 H LEU 28 0.209 -4.940 1.843 238 HA LEU 28 HA LEU 28 2.793 -4.539 0.542 239 1HB LEU 28 1HB LEU 28 1.181 -2.680 0.620 240 2HB LEU 28 2HB LEU 28 1.229 -2.691 2.379 241 HG LEU 28 HG LEU 28 3.808 -2.223 2.150 242 1HD1 LEU 28 1HD1 LEU 28 4.439 -1.019 0.083 243 2HD1 LEU 28 2HD1 LEU 28 4.129 -2.731 -0.187 244 3HD1 LEU 28 3HD1 LEU 28 2.915 -1.517 -0.659 245 1HD2 LEU 28 1HD2 LEU 28 1.658 -0.241 1.517 246 2HD2 LEU 28 2HD2 LEU 28 2.408 -0.635 3.061 247 3HD2 LEU 28 3HD2 LEU 28 3.354 0.211 1.822 248 H GLU 29 H GLU 29 1.640 -4.442 3.969 249 HA GLU 29 HA GLU 29 4.180 -3.962 5.150 250 1HB GLU 29 1HB GLU 29 1.910 -3.700 6.230 251 2HB GLU 29 2HB GLU 29 1.869 -5.462 6.435 252 1HG GLU 29 1HG GLU 29 4.053 -5.253 7.716 253 2HG GLU 29 2HG GLU 29 3.902 -3.501 7.597 254 H GLN 30 H GLN 30 2.565 -7.076 4.400 255 HA GLN 30 HA GLN 30 4.588 -8.817 5.381 256 1HB GLN 30 1HB GLN 30 2.322 -9.422 4.445 257 2HB GLN 30 2HB GLN 30 2.968 -9.196 2.826 258 1HG GLN 30 1HG GLN 30 4.639 -10.980 3.218 259 2HG GLN 30 2HG GLN 30 4.068 -11.159 4.882 260 1HE2 GLN 30 1HE2 GLN 30 3.000 -11.482 1.430 261 2HE2 GLN 30 2HE2 GLN 30 1.786 -12.694 1.813 262 H TYR 31 H TYR 31 4.337 -7.297 2.181 263 HA TYR 31 HA TYR 31 6.701 -8.485 0.994 264 1HB TYR 31 1HB TYR 31 4.788 -7.770 -0.297 265 2HB TYR 31 2HB TYR 31 4.924 -6.127 0.302 266 HD1 TYR 31 1HD TYR 31 5.914 -4.523 -1.043 267 HD2 TYR 31 2HD TYR 31 6.940 -8.662 -1.634 268 HE1 TYR 31 1HE TYR 31 7.274 -3.925 -3.003 269 HE2 TYR 31 2HE TYR 31 8.276 -8.028 -3.664 270 HH TYR 31 HH TYR 31 8.724 -4.631 -4.635 271 H VAL 32 H VAL 32 6.089 -5.557 2.792 272 HA VAL 32 HA VAL 32 8.774 -4.519 2.359 273 HB VAL 32 HB VAL 32 6.283 -3.403 3.556 274 1HG1 VAL 32 1HG1 VAL 32 7.146 -1.286 3.898 275 2HG1 VAL 32 2HG1 VAL 32 8.054 -2.385 4.919 276 3HG1 VAL 32 3HG1 VAL 32 8.785 -1.756 3.418 277 1HG2 VAL 32 1HG2 VAL 32 6.610 -3.670 1.067 278 2HG2 VAL 32 2HG2 VAL 32 6.175 -2.096 1.650 279 3HG2 VAL 32 3HG2 VAL 32 7.864 -2.438 1.201 280 H LYS 33 H LYS 33 7.436 -6.605 4.592 281 HA LYS 33 HA LYS 33 9.685 -6.259 6.573 282 1HB LYS 33 1HB LYS 33 7.175 -7.985 6.554 283 2HB LYS 33 2HB LYS 33 8.490 -8.214 7.726 284 1HG LYS 33 1HG LYS 33 8.339 -5.895 8.438 285 2HG LYS 33 2HG LYS 33 7.077 -5.576 7.243 286 1HD LYS 33 1HD LYS 33 5.511 -7.052 8.400 287 2HD LYS 33 2HD LYS 33 6.794 -7.622 9.495 288 1HE LYS 33 1HE LYS 33 7.056 -5.385 10.443 289 2HE LYS 33 2HE LYS 33 5.858 -4.722 9.326 290 1HZ LYS 33 1HZ LYS 33 5.217 -6.843 11.310 291 2HZ LYS 33 2HZ LYS 33 4.980 -5.252 11.589 292 3HZ LYS 33 3HZ LYS 33 4.144 -5.979 10.400 293 H ASP 34 H ASP 34 8.769 -7.926 3.920 294 HA ASP 34 HA ASP 34 10.632 -10.208 3.920 295 1HB ASP 34 1HB ASP 34 8.563 -9.149 2.165 296 2HB ASP 34 2HB ASP 34 9.988 -9.445 1.220 297 H THR 35 H THR 35 10.555 -7.296 1.873 298 HA THR 35 HA THR 35 13.567 -7.123 1.941 299 HB THR 35 HB THR 35 13.556 -6.322 -0.329 300 HG1 THR 35 1HG THR 35 10.792 -6.910 -0.453 301 1HG2 THR 35 1HG2 THR 35 12.927 -8.308 -1.576 302 2HG2 THR 35 2HG2 THR 35 13.688 -8.779 -0.045 303 3HG2 THR 35 3HG2 THR 35 11.924 -8.894 -0.236 304 H GLY 36 H GLY 36 10.523 -5.354 2.243 305 1HA GLY 36 1HA GLY 36 10.279 -3.224 3.138 306 2HA GLY 36 2HA GLY 36 11.981 -2.895 2.948 307 H ASN 37 H ASN 37 11.457 -4.040 0.016 308 HA ASN 37 HA ASN 37 11.601 -1.392 -1.117 309 1HB ASN 37 1HB ASN 37 11.261 -4.157 -2.375 310 2HB ASN 37 2HB ASN 37 11.684 -2.708 -3.260 311 1HD2 ASN 37 2HD2 ASN 37 13.251 -5.175 -3.051 312 2HD2 ASN 37 1HD2 ASN 37 14.789 -4.651 -2.374 313 H ASP 38 H ASP 38 10.073 -0.138 -2.225 314 HA ASP 38 HA ASP 38 7.317 -0.650 -2.098 315 1HB ASP 38 1HB ASP 38 9.034 1.343 -3.393 316 2HB ASP 38 2HB ASP 38 7.778 0.863 -4.466 317 HA PRO 39 HA PRO 39 6.573 -3.815 -5.088 318 1HB PRO 39 1HB PRO 39 4.141 -2.265 -5.939 319 2HB PRO 39 2HB PRO 39 4.280 -3.996 -5.483 320 1HG PRO 39 1HG PRO 39 3.291 -2.249 -3.706 321 2HG PRO 39 2HG PRO 39 4.544 -3.413 -3.166 322 1HD PRO 39 1HD PRO 39 4.924 -0.518 -3.955 323 2HD PRO 39 2HD PRO 39 5.488 -1.397 -2.501 324 H ILE 40 H ILE 40 6.882 -0.556 -6.327 325 HA ILE 40 HA ILE 40 7.013 -1.556 -9.171 326 HB ILE 40 HB ILE 40 5.892 1.112 -8.282 327 1HG1 ILE 40 1HG1 ILE 40 4.276 -0.644 -7.699 328 2HG1 ILE 40 2HG1 ILE 40 3.701 0.397 -8.982 329 1HG2 ILE 40 1HG2 ILE 40 6.156 -0.118 -11.037 330 2HG2 ILE 40 2HG2 ILE 40 5.175 1.317 -10.661 331 3HG2 ILE 40 3HG2 ILE 40 6.920 1.358 -10.428 332 1HD1 ILE 40 1HD1 ILE 40 4.820 -2.408 -9.398 333 2HD1 ILE 40 2HD1 ILE 40 3.108 -1.943 -9.412 334 3HD1 ILE 40 3HD1 ILE 40 4.191 -1.341 -10.673 335 H THR 41 H THR 41 8.090 1.038 -6.906 336 HA THR 41 HA THR 41 10.230 1.820 -8.776 337 HB THR 41 HB THR 41 10.931 3.393 -7.011 338 HG1 THR 41 1HG THR 41 8.508 2.538 -5.893 339 1HG2 THR 41 1HG2 THR 41 9.362 4.121 -8.781 340 2HG2 THR 41 2HG2 THR 41 7.989 3.566 -7.802 341 3HG2 THR 41 3HG2 THR 41 9.013 4.895 -7.222 342 H ASN 42 H ASN 42 9.839 -0.487 -6.299 343 HA ASN 42 HA ASN 42 11.036 -1.616 -4.893 344 1HB ASN 42 1HB ASN 42 12.379 -3.095 -5.760 345 2HB ASN 42 2HB ASN 42 11.892 -2.389 -7.288 346 1HD2 ASN 42 1HD2 ASN 42 13.602 -0.115 -7.446 347 2HD2 ASN 42 2HD2 ASN 42 15.256 -0.735 -7.493 348 H GLU 43 H GLU 43 11.267 1.302 -4.689 349 HA GLU 43 HA GLU 43 13.848 1.954 -3.595 350 1HB GLU 43 1HB GLU 43 11.077 3.094 -3.272 351 2HB GLU 43 2HB GLU 43 12.509 3.833 -2.538 352 1HG GLU 43 1HG GLU 43 12.703 3.217 -5.478 353 2HG GLU 43 2HG GLU 43 11.531 4.416 -5.008 354 HA PRO 44 HA PRO 44 13.552 -0.534 0.136 355 1HB PRO 44 1HB PRO 44 15.496 1.564 1.129 356 2HB PRO 44 2HB PRO 44 15.538 -0.213 1.369 357 1HG PRO 44 1HG PRO 44 17.072 0.927 -0.537 358 2HG PRO 44 2HG PRO 44 16.154 -0.570 -0.916 359 1HD PRO 44 1HD PRO 44 15.461 2.289 -1.619 360 2HD PRO 44 2HD PRO 44 15.343 0.806 -2.615 361 H LEU 45 H LEU 45 12.101 -0.542 1.611 362 HA LEU 45 HA LEU 45 10.750 -0.185 3.314 363 1HB LEU 45 1HB LEU 45 12.344 2.321 3.821 364 2HB LEU 45 2HB LEU 45 10.968 1.859 4.809 365 HG LEU 45 HG LEU 45 13.222 -0.125 4.316 366 1HD1 LEU 45 1HD1 LEU 45 13.093 1.941 6.545 367 2HD1 LEU 45 2HD1 LEU 45 14.269 0.614 6.406 368 3HD1 LEU 45 3HD1 LEU 45 14.265 1.923 5.210 369 1HD2 LEU 45 1HD2 LEU 45 11.227 0.236 6.599 370 2HD2 LEU 45 2HD2 LEU 45 11.146 -1.010 5.330 371 3HD2 LEU 45 3HD2 LEU 45 12.473 -1.024 6.493 372 H SER 46 H SER 46 8.793 0.533 3.744 373 HA SER 46 HA SER 46 7.466 2.408 1.861 374 1HB SER 46 1HB SER 46 7.416 -0.152 1.279 375 2HB SER 46 2HB SER 46 6.034 -0.094 2.384 376 HG SER 46 HG SER 46 6.423 1.421 -0.001 377 H ILE 47 H ILE 47 6.993 0.315 4.672 378 HA ILE 47 HA ILE 47 4.962 1.697 5.889 379 HB ILE 47 HB ILE 47 5.893 -0.581 6.461 380 1HG1 ILE 47 1HG1 ILE 47 5.458 -0.502 8.911 381 2HG1 ILE 47 2HG1 ILE 47 5.364 1.260 8.822 382 1HG2 ILE 47 1HG2 ILE 47 8.291 0.065 6.658 383 2HG2 ILE 47 2HG2 ILE 47 7.913 0.923 8.170 384 3HG2 ILE 47 3HG2 ILE 47 7.695 -0.831 8.057 385 1HD1 ILE 47 1HD1 ILE 47 3.425 1.100 7.322 386 2HD1 ILE 47 2HD1 ILE 47 3.614 -0.663 7.215 387 3HD1 ILE 47 3HD1 ILE 47 3.134 0.094 8.753 388 H GLU 48 H GLU 48 8.278 2.571 5.906 389 HA GLU 48 HA GLU 48 8.099 4.747 7.835 390 1HB GLU 48 1HB GLU 48 10.142 4.086 5.679 391 2HB GLU 48 2HB GLU 48 10.314 5.403 6.836 392 1HG GLU 48 1HG GLU 48 10.137 2.449 7.565 393 2HG GLU 48 2HG GLU 48 11.605 3.412 7.479 394 H GLU 49 H GLU 49 6.753 4.299 4.821 395 HA GLU 49 HA GLU 49 6.539 7.246 4.317 396 1HB GLU 49 1HB GLU 49 8.033 5.608 2.706 397 2HB GLU 49 2HB GLU 49 6.450 5.379 1.976 398 1HG GLU 49 1HG GLU 49 7.408 7.165 0.777 399 2HG GLU 49 2HG GLU 49 6.291 7.960 1.881 400 H ILE 50 H ILE 50 4.910 4.798 5.402 401 HA ILE 50 HA ILE 50 2.768 4.268 3.782 402 HB ILE 50 HB ILE 50 3.631 3.147 5.864 403 1HG1 ILE 50 1HG1 ILE 50 1.333 2.164 6.451 404 2HG1 ILE 50 2HG1 ILE 50 0.699 3.228 5.197 405 1HG2 ILE 50 1HG2 ILE 50 2.617 3.469 7.982 406 2HG2 ILE 50 2HG2 ILE 50 3.277 5.026 7.462 407 3HG2 ILE 50 3HG2 ILE 50 1.525 4.722 7.359 408 1HD1 ILE 50 1HD1 ILE 50 1.302 0.874 4.440 409 2HD1 ILE 50 2HD1 ILE 50 2.171 2.134 3.528 410 3HD1 ILE 50 3HD1 ILE 50 2.987 1.210 4.810 411 H VAL 51 H VAL 51 1.107 5.174 3.072 412 HA VAL 51 HA VAL 51 -0.397 7.292 4.602 413 HB VAL 51 HB VAL 51 -0.238 7.075 1.575 414 1HG1 VAL 51 1HG1 VAL 51 -1.534 9.149 3.405 415 2HG1 VAL 51 2HG1 VAL 51 -1.394 9.276 1.640 416 3HG1 VAL 51 3HG1 VAL 51 -2.395 8.008 2.347 417 1HG2 VAL 51 1HG2 VAL 51 0.976 9.234 1.701 418 2HG2 VAL 51 2HG2 VAL 51 1.028 9.097 3.473 419 3HG2 VAL 51 3HG2 VAL 51 1.886 7.927 2.454 420 H GLU 52 H GLU 52 -1.650 5.731 5.693 421 HA GLU 52 HA GLU 52 -3.251 3.810 4.142 422 1HB GLU 52 1HB GLU 52 -2.217 3.308 6.371 423 2HB GLU 52 2HB GLU 52 -3.459 4.332 7.116 424 1HG GLU 52 1HG GLU 52 -5.233 2.913 6.160 425 2HG GLU 52 2HG GLU 52 -4.045 1.974 5.256 426 H ILE 53 H ILE 53 -5.086 4.099 3.259 427 HA ILE 53 HA ILE 53 -6.479 6.682 3.424 428 HB ILE 53 HB ILE 53 -6.869 4.226 1.661 429 1HG1 ILE 53 1HG1 ILE 53 -5.591 6.907 0.949 430 2HG1 ILE 53 2HG1 ILE 53 -4.668 5.468 1.365 431 1HG2 ILE 53 1HG2 ILE 53 -8.964 5.544 1.853 432 2HG2 ILE 53 2HG2 ILE 53 -8.079 7.023 1.414 433 3HG2 ILE 53 3HG2 ILE 53 -8.283 5.700 0.249 434 1HD1 ILE 53 1HD1 ILE 53 -4.697 5.655 -1.010 435 2HD1 ILE 53 2HD1 ILE 53 -5.669 4.242 -0.548 436 3HD1 ILE 53 3HD1 ILE 53 -6.462 5.753 -1.062 437 H VAL 54 H VAL 54 -8.279 6.993 4.592 438 HA VAL 54 HA VAL 54 -9.426 5.075 6.360 439 HB VAL 54 HB VAL 54 -10.564 7.711 5.370 440 1HG1 VAL 54 1HG1 VAL 54 -11.398 5.953 7.726 441 2HG1 VAL 54 2HG1 VAL 54 -11.937 7.625 7.459 442 3HG1 VAL 54 3HG1 VAL 54 -12.388 6.375 6.305 443 1HG2 VAL 54 1HG2 VAL 54 -9.024 6.968 7.902 444 2HG2 VAL 54 2HG2 VAL 54 -8.419 7.972 6.567 445 3HG2 VAL 54 3HG2 VAL 54 -9.756 8.552 7.561 446 HA PRO 55 HA PRO 55 -11.794 3.046 3.084 447 1HB PRO 55 1HB PRO 55 -12.699 0.855 4.411 448 2HB PRO 55 2HB PRO 55 -10.973 1.079 4.000 449 1HG PRO 55 1HG PRO 55 -12.354 1.704 6.635 450 2HG PRO 55 2HG PRO 55 -10.854 0.757 6.374 451 1HD PRO 55 1HD PRO 55 -10.805 3.408 7.035 452 2HD PRO 55 2HD PRO 55 -9.593 2.690 5.931 453 H SER 56 H SER 56 -13.190 4.193 6.073 454 HA SER 56 HA SER 56 -15.900 3.556 5.803 455 1HB SER 56 1HB SER 56 -14.713 6.076 7.029 456 2HB SER 56 2HB SER 56 -16.312 5.388 7.361 457 HG SER 56 HG SER 56 -14.771 4.768 8.946 Start of MODEL 14 1 H MET 1 H MET 1 -5.898 2.301 -8.196 2 HA MET 1 HA MET 1 -7.397 1.528 -6.279 3 1HB MET 1 1HB MET 1 -8.256 2.268 -8.510 4 2HB MET 1 2HB MET 1 -8.211 0.594 -9.065 5 1HG MET 1 1HG MET 1 -9.842 -0.029 -7.316 6 2HG MET 1 2HG MET 1 -9.852 1.629 -6.711 7 1HE MET 1 1HE MET 1 -11.810 3.588 -9.447 8 2HE MET 1 2HE MET 1 -11.049 3.636 -7.844 9 3HE MET 1 3HE MET 1 -10.048 3.491 -9.310 10 H LEU 2 H LEU 2 -5.747 -0.899 -8.081 11 HA LEU 2 HA LEU 2 -6.532 -2.998 -6.103 12 1HB LEU 2 1HB LEU 2 -5.959 -3.418 -9.064 13 2HB LEU 2 2HB LEU 2 -6.117 -4.713 -7.882 14 HG LEU 2 HG LEU 2 -8.346 -2.768 -8.637 15 1HD1 LEU 2 1HD1 LEU 2 -7.756 -4.327 -10.454 16 2HD1 LEU 2 2HD1 LEU 2 -7.924 -5.701 -9.340 17 3HD1 LEU 2 3HD1 LEU 2 -9.342 -4.715 -9.764 18 1HD2 LEU 2 1HD2 LEU 2 -9.809 -4.370 -7.425 19 2HD2 LEU 2 2HD2 LEU 2 -8.378 -5.272 -6.884 20 3HD2 LEU 2 3HD2 LEU 2 -8.654 -3.601 -6.337 21 H CYS 3 H CYS 3 -4.974 -4.433 -5.418 22 HA CYS 3 HA CYS 3 -2.710 -2.934 -4.758 23 1HB CYS 3 1HB CYS 3 -3.878 -4.432 -3.241 24 2HB CYS 3 2HB CYS 3 -3.636 -5.762 -4.329 25 HG CYS 3 HG CYS 3 -2.297 -6.202 -2.199 26 H ALA 4 H ALA 4 -0.729 -3.050 -5.076 27 HA ALA 4 HA ALA 4 0.253 -4.081 -7.700 28 1HB ALA 4 1HB ALA 4 0.750 -1.733 -7.058 29 2HB ALA 4 2HB ALA 4 1.804 -2.365 -5.767 30 3HB ALA 4 3HB ALA 4 2.175 -2.719 -7.450 31 H ILE 5 H ILE 5 0.297 -5.037 -4.394 32 HA ILE 5 HA ILE 5 2.704 -6.724 -4.633 33 HB ILE 5 HB ILE 5 0.638 -6.435 -2.428 34 1HG1 ILE 5 1HG1 ILE 5 2.899 -5.908 -1.195 35 2HG1 ILE 5 2HG1 ILE 5 3.517 -5.575 -2.805 36 1HG2 ILE 5 1HG2 ILE 5 2.152 -8.042 -1.167 37 2HG2 ILE 5 2HG2 ILE 5 1.330 -8.813 -2.517 38 3HG2 ILE 5 3HG2 ILE 5 3.038 -8.336 -2.670 39 1HD1 ILE 5 1HD1 ILE 5 1.133 -4.256 -1.420 40 2HD1 ILE 5 2HD1 ILE 5 2.732 -3.538 -1.677 41 3HD1 ILE 5 3HD1 ILE 5 1.680 -3.846 -3.057 42 H SER 6 H SER 6 -0.857 -7.441 -4.347 43 HA SER 6 HA SER 6 -0.332 -9.802 -6.121 44 1HB SER 6 1HB SER 6 -2.066 -9.996 -3.678 45 2HB SER 6 2HB SER 6 -1.725 -11.265 -4.850 46 HG SER 6 HG SER 6 -0.376 -11.520 -3.066 47 H GLY 7 H GLY 7 -2.327 -7.026 -5.784 48 1HA GLY 7 1HA GLY 7 -3.914 -6.406 -7.411 49 2HA GLY 7 2HA GLY 7 -3.999 -8.074 -7.911 50 H LYS 8 H LYS 8 -4.200 -7.937 -4.689 51 HA LYS 8 HA LYS 8 -6.854 -8.810 -4.248 52 1HB LYS 8 1HB LYS 8 -4.780 -9.094 -2.816 53 2HB LYS 8 2HB LYS 8 -4.870 -7.391 -2.399 54 1HG LYS 8 1HG LYS 8 -5.780 -8.635 -0.567 55 2HG LYS 8 2HG LYS 8 -7.178 -7.899 -1.368 56 1HD LYS 8 1HD LYS 8 -7.575 -10.070 -2.571 57 2HD LYS 8 2HD LYS 8 -6.162 -10.763 -1.757 58 1HE LYS 8 1HE LYS 8 -7.263 -10.395 0.443 59 2HE LYS 8 2HE LYS 8 -8.656 -9.665 -0.370 60 1HZ LYS 8 1HZ LYS 8 -9.063 -12.008 0.133 61 2HZ LYS 8 2HZ LYS 8 -9.037 -11.808 -1.485 62 3HZ LYS 8 3HZ LYS 8 -7.759 -12.482 -0.726 63 H VAL 9 H VAL 9 -8.719 -7.787 -3.796 64 HA VAL 9 HA VAL 9 -9.138 -4.927 -4.180 65 HB VAL 9 HB VAL 9 -11.001 -7.008 -2.971 66 1HG1 VAL 9 1HG1 VAL 9 -12.765 -5.361 -3.556 67 2HG1 VAL 9 2HG1 VAL 9 -11.656 -4.711 -2.347 68 3HG1 VAL 9 3HG1 VAL 9 -11.519 -4.192 -4.047 69 1HG2 VAL 9 1HG2 VAL 9 -12.096 -6.989 -5.186 70 2HG2 VAL 9 2HG2 VAL 9 -10.844 -5.895 -5.810 71 3HG2 VAL 9 3HG2 VAL 9 -10.428 -7.551 -5.323 72 HA PRO 10 HA PRO 10 -7.197 -4.368 -0.189 73 1HB PRO 10 1HB PRO 10 -8.225 -1.545 -0.462 74 2HB PRO 10 2HB PRO 10 -6.604 -2.119 0.040 75 1HG PRO 10 1HG PRO 10 -6.999 -1.214 -2.476 76 2HG PRO 10 2HG PRO 10 -6.052 -2.717 -2.218 77 1HD PRO 10 1HD PRO 10 -8.977 -2.447 -2.974 78 2HD PRO 10 2HD PRO 10 -7.720 -3.485 -3.698 79 H ARG 11 H ARG 11 -7.816 -4.798 1.800 80 HA ARG 11 HA ARG 11 -10.618 -4.499 2.763 81 1HB ARG 11 1HB ARG 11 -8.177 -5.388 4.347 82 2HB ARG 11 2HB ARG 11 -9.869 -5.598 4.765 83 1HG ARG 11 1HG ARG 11 -10.132 -7.224 2.891 84 2HG ARG 11 2HG ARG 11 -8.412 -7.011 2.483 85 1HD ARG 11 1HD ARG 11 -7.859 -7.662 4.883 86 2HD ARG 11 2HD ARG 11 -9.556 -8.066 5.102 87 HE ARG 11 HE ARG 11 -9.297 -9.990 3.792 88 1HH1 ARG 11 2HH2 ARG 11 -6.285 -8.163 3.565 89 2HH1 ARG 11 1HH2 ARG 11 -5.408 -9.586 3.045 90 1HH2 ARG 11 2HH1 ARG 11 -8.095 -11.706 3.157 91 2HH2 ARG 11 1HH1 ARG 11 -6.400 -11.516 2.810 92 H ARG 12 H ARG 12 -7.320 -3.381 3.497 93 HA ARG 12 HA ARG 12 -8.367 -0.777 4.529 94 1HB ARG 12 1HB ARG 12 -7.535 -2.137 6.344 95 2HB ARG 12 2HB ARG 12 -6.066 -2.514 5.454 96 1HG ARG 12 1HG ARG 12 -5.598 -0.904 7.137 97 2HG ARG 12 2HG ARG 12 -5.381 -0.161 5.546 98 1HD ARG 12 1HD ARG 12 -7.444 1.091 5.778 99 2HD ARG 12 2HD ARG 12 -7.877 0.185 7.248 100 HE ARG 12 HE ARG 12 -5.336 1.467 7.666 101 1HH1 ARG 12 2HH2 ARG 12 -8.697 2.424 7.474 102 2HH1 ARG 12 1HH2 ARG 12 -8.434 3.765 8.563 103 1HH2 ARG 12 2HH1 ARG 12 -5.085 3.025 8.961 104 2HH2 ARG 12 1HH1 ARG 12 -6.382 4.140 9.400 105 HA PRO 13 HA PRO 13 -6.089 -0.068 0.586 106 1HB PRO 13 1HB PRO 13 -7.177 2.474 0.131 107 2HB PRO 13 2HB PRO 13 -7.815 0.920 -0.470 108 1HG PRO 13 1HG PRO 13 -8.634 2.417 2.037 109 2HG PRO 13 2HG PRO 13 -9.689 1.661 0.796 110 1HD PRO 13 1HD PRO 13 -9.238 0.316 3.033 111 2HD PRO 13 2HD PRO 13 -8.983 -0.536 1.461 112 H VAL 14 H VAL 14 -4.256 0.608 0.468 113 HA VAL 14 HA VAL 14 -3.079 2.771 2.194 114 HB VAL 14 HB VAL 14 -2.604 -0.188 2.202 115 1HG1 VAL 14 1HG1 VAL 14 -0.356 -0.076 3.006 116 2HG1 VAL 14 2HG1 VAL 14 -0.415 0.562 1.372 117 3HG1 VAL 14 3HG1 VAL 14 -0.287 1.694 2.720 118 1HG2 VAL 14 1HG2 VAL 14 -2.145 2.027 4.230 119 2HG2 VAL 14 2HG2 VAL 14 -3.627 1.045 4.115 120 3HG2 VAL 14 3HG2 VAL 14 -2.075 0.313 4.569 121 H LEU 15 H LEU 15 -1.375 3.831 1.452 122 HA LEU 15 HA LEU 15 -0.602 3.487 -1.422 123 1HB LEU 15 1HB LEU 15 -2.314 5.151 -1.243 124 2HB LEU 15 2HB LEU 15 -1.634 5.824 0.214 125 HG LEU 15 HG LEU 15 0.266 6.783 -1.075 126 1HD1 LEU 15 1HD1 LEU 15 0.062 7.019 -3.501 127 2HD1 LEU 15 2HD1 LEU 15 0.211 5.303 -3.088 128 3HD1 LEU 15 3HD1 LEU 15 -1.371 5.973 -3.517 129 1HD2 LEU 15 1HD2 LEU 15 -1.059 8.587 -2.066 130 2HD2 LEU 15 2HD2 LEU 15 -2.519 7.568 -2.014 131 3HD2 LEU 15 3HD2 LEU 15 -1.737 8.089 -0.507 132 H SER 16 H SER 16 1.431 4.335 -1.976 133 HA SER 16 HA SER 16 3.274 5.387 0.084 134 1HB SER 16 1HB SER 16 3.931 3.024 -0.211 135 2HB SER 16 2HB SER 16 3.977 3.260 -1.973 136 HG SER 16 HG SER 16 6.015 3.441 -1.222 137 HA PRO 17 HA PRO 17 3.316 8.385 -3.215 138 1HB PRO 17 1HB PRO 17 5.442 9.980 -2.523 139 2HB PRO 17 2HB PRO 17 3.907 9.926 -1.607 140 1HG PRO 17 1HG PRO 17 6.471 8.405 -1.023 141 2HG PRO 17 2HG PRO 17 5.493 9.402 0.103 142 1HD PRO 17 1HD PRO 17 5.209 6.705 -0.009 143 2HD PRO 17 2HD PRO 17 3.782 7.766 0.208 144 H LYS 18 H LYS 18 5.733 6.049 -2.937 145 HA LYS 18 HA LYS 18 7.430 6.884 -5.213 146 1HB LYS 18 1HB LYS 18 7.381 4.542 -3.312 147 2HB LYS 18 2HB LYS 18 8.433 4.549 -4.730 148 1HG LYS 18 1HG LYS 18 9.804 6.208 -3.937 149 2HG LYS 18 2HG LYS 18 8.566 6.970 -2.936 150 1HD LYS 18 1HD LYS 18 9.609 4.204 -2.280 151 2HD LYS 18 2HD LYS 18 10.461 5.658 -1.725 152 1HE LYS 18 1HE LYS 18 8.784 6.279 -0.269 153 2HE LYS 18 2HE LYS 18 7.505 5.580 -1.271 154 1HZ LYS 18 1HZ LYS 18 7.787 4.297 0.717 155 2HZ LYS 18 2HZ LYS 18 8.151 3.392 -0.580 156 3HZ LYS 18 3HZ LYS 18 9.366 3.945 0.374 157 H SER 19 H SER 19 5.510 3.851 -4.647 158 HA SER 19 HA SER 19 5.197 3.298 -7.445 159 1HB SER 19 1HB SER 19 3.562 2.375 -5.052 160 2HB SER 19 2HB SER 19 3.521 1.673 -6.678 161 HG SER 19 HG SER 19 5.603 1.718 -4.771 162 H ARG 20 H ARG 20 3.298 5.152 -5.127 163 HA ARG 20 HA ARG 20 1.497 6.459 -5.173 164 1HB ARG 20 1HB ARG 20 2.827 7.536 -6.969 165 2HB ARG 20 2HB ARG 20 1.877 6.694 -8.182 166 1HG ARG 20 1HG ARG 20 0.330 8.256 -6.131 167 2HG ARG 20 2HG ARG 20 1.362 9.198 -7.203 168 1HD ARG 20 1HD ARG 20 0.279 8.401 -9.178 169 2HD ARG 20 2HD ARG 20 -0.628 7.181 -8.305 170 HE ARG 20 HE ARG 20 -1.251 10.029 -8.528 171 1HH1 ARG 20 2HH2 ARG 20 -1.905 7.201 -6.547 172 2HH1 ARG 20 1HH2 ARG 20 -3.403 7.884 -5.953 173 1HH2 ARG 20 2HH1 ARG 20 -3.144 10.808 -7.735 174 2HH2 ARG 20 1HH1 ARG 20 -4.076 9.867 -6.607 175 H THR 21 H THR 21 1.306 3.425 -6.364 176 HA THR 21 HA THR 21 -1.441 3.205 -7.202 177 HB THR 21 HB THR 21 -0.934 0.794 -6.981 178 HG1 THR 21 1HG THR 21 0.451 0.934 -5.143 179 1HG2 THR 21 1HG2 THR 21 0.731 0.608 -8.647 180 2HG2 THR 21 2HG2 THR 21 -0.027 2.178 -8.968 181 3HG2 THR 21 3HG2 THR 21 1.550 2.096 -8.132 182 H ILE 22 H ILE 22 -2.944 1.620 -5.954 183 HA ILE 22 HA ILE 22 -2.800 2.099 -3.000 184 HB ILE 22 HB ILE 22 -5.278 1.595 -4.621 185 1HG1 ILE 22 1HG1 ILE 22 -4.544 3.804 -5.268 186 2HG1 ILE 22 2HG1 ILE 22 -5.978 3.899 -4.269 187 1HG2 ILE 22 1HG2 ILE 22 -6.447 2.279 -2.521 188 2HG2 ILE 22 2HG2 ILE 22 -5.478 0.812 -2.328 189 3HG2 ILE 22 3HG2 ILE 22 -4.871 2.355 -1.702 190 1HD1 ILE 22 1HD1 ILE 22 -3.141 4.437 -3.297 191 2HD1 ILE 22 2HD1 ILE 22 -4.351 5.664 -3.709 192 3HD1 ILE 22 3HD1 ILE 22 -4.619 4.598 -2.324 193 H PHE 23 H PHE 23 -2.235 0.362 -1.991 194 HA PHE 23 HA PHE 23 -3.070 -2.340 -2.946 195 1HB PHE 23 1HB PHE 23 -0.947 -2.978 -1.422 196 2HB PHE 23 2HB PHE 23 -0.954 -2.826 -3.175 197 HD1 PHE 23 1HD PHE 23 0.684 -1.598 -4.170 198 HD2 PHE 23 2HD PHE 23 -0.295 -0.914 -0.131 199 HE1 PHE 23 1HE PHE 23 2.425 0.162 -4.136 200 HE2 PHE 23 2HE PHE 23 1.359 1.065 -0.063 201 HZ PHE 23 HZ PHE 23 2.733 1.528 -2.069 202 H GLU 24 H GLU 24 -3.006 -3.944 -1.197 203 HA GLU 24 HA GLU 24 -4.796 -3.142 0.961 204 1HB GLU 24 1HB GLU 24 -5.282 -5.201 -0.083 205 2HB GLU 24 2HB GLU 24 -3.607 -5.636 -0.162 206 1HG GLU 24 1HG GLU 24 -4.751 -7.076 1.383 207 2HG GLU 24 2HG GLU 24 -3.538 -6.132 2.223 208 H LYS 25 H LYS 25 -4.063 -2.662 3.081 209 HA LYS 25 HA LYS 25 -1.445 -2.031 3.775 210 1HB LYS 25 1HB LYS 25 -3.509 -1.372 4.999 211 2HB LYS 25 2HB LYS 25 -3.687 -3.018 5.598 212 1HG LYS 25 1HG LYS 25 -1.567 -2.867 6.822 213 2HG LYS 25 2HG LYS 25 -1.221 -1.281 6.104 214 1HD LYS 25 1HD LYS 25 -3.209 -0.337 7.226 215 2HD LYS 25 2HD LYS 25 -3.566 -1.927 7.944 216 1HE LYS 25 1HE LYS 25 -1.394 -1.877 9.138 217 2HE LYS 25 2HE LYS 25 -1.015 -0.318 8.389 218 1HZ LYS 25 1HZ LYS 25 -1.918 0.031 10.594 219 2HZ LYS 25 2HZ LYS 25 -2.972 0.625 9.498 220 3HZ LYS 25 3HZ LYS 25 -3.281 -0.806 10.251 221 H SER 26 H SER 26 -3.254 -5.003 4.309 222 HA SER 26 HA SER 26 -1.297 -6.339 5.776 223 1HB SER 26 1HB SER 26 -3.687 -6.994 5.663 224 2HB SER 26 2HB SER 26 -3.419 -7.648 4.036 225 HG SER 26 HG SER 26 -3.288 -9.232 5.744 226 H LEU 27 H LEU 27 -1.769 -6.335 2.195 227 HA LEU 27 HA LEU 27 0.254 -8.327 1.691 228 1HB LEU 27 1HB LEU 27 -1.085 -6.296 -0.136 229 2HB LEU 27 2HB LEU 27 -0.089 -7.644 -0.620 230 HG LEU 27 HG LEU 27 -2.926 -7.552 -0.121 231 1HD1 LEU 27 1HD1 LEU 27 -2.897 -9.577 -1.446 232 2HD1 LEU 27 2HD1 LEU 27 -1.822 -8.339 -2.131 233 3HD1 LEU 27 3HD1 LEU 27 -1.134 -9.705 -1.219 234 1HD2 LEU 27 1HD2 LEU 27 -1.556 -9.806 1.337 235 2HD2 LEU 27 2HD2 LEU 27 -2.724 -8.619 1.998 236 3HD2 LEU 27 3HD2 LEU 27 -3.258 -9.800 0.820 237 H LEU 28 H LEU 28 0.178 -4.748 1.678 238 HA LEU 28 HA LEU 28 2.871 -4.397 0.686 239 1HB LEU 28 1HB LEU 28 1.297 -2.492 0.828 240 2HB LEU 28 2HB LEU 28 1.364 -2.581 2.588 241 HG LEU 28 HG LEU 28 3.944 -2.261 2.361 242 1HD1 LEU 28 1HD1 LEU 28 3.129 -1.436 -0.448 243 2HD1 LEU 28 2HD1 LEU 28 4.688 -1.088 0.320 244 3HD1 LEU 28 3HD1 LEU 28 4.231 -2.757 -0.004 245 1HD2 LEU 28 1HD2 LEU 28 2.017 -0.071 1.626 246 2HD2 LEU 28 2HD2 LEU 28 2.563 -0.555 3.234 247 3HD2 LEU 28 3HD2 LEU 28 3.710 0.187 2.104 248 H GLU 29 H GLU 29 1.444 -4.744 3.977 249 HA GLU 29 HA GLU 29 3.789 -4.483 5.521 250 1HB GLU 29 1HB GLU 29 1.526 -4.481 6.436 251 2HB GLU 29 2HB GLU 29 1.382 -6.215 6.128 252 1HG GLU 29 1HG GLU 29 3.233 -6.669 7.692 253 2HG GLU 29 2HG GLU 29 3.509 -4.940 7.902 254 H GLN 30 H GLN 30 2.515 -7.343 3.858 255 HA GLN 30 HA GLN 30 4.496 -9.213 4.806 256 1HB GLN 30 1HB GLN 30 2.253 -9.655 3.571 257 2HB GLN 30 2HB GLN 30 3.135 -9.335 2.088 258 1HG GLN 30 1HG GLN 30 3.110 -11.712 2.430 259 2HG GLN 30 2HG GLN 30 4.759 -11.155 2.690 260 1HE2 GLN 30 1HE2 GLN 30 1.752 -12.175 4.419 261 2HE2 GLN 30 2HE2 GLN 30 2.620 -12.673 5.868 262 H TYR 31 H TYR 31 4.370 -7.132 1.902 263 HA TYR 31 HA TYR 31 6.832 -8.163 0.763 264 1HB TYR 31 1HB TYR 31 4.937 -7.160 -0.513 265 2HB TYR 31 2HB TYR 31 5.333 -5.587 0.166 266 HD1 TYR 31 1HD TYR 31 7.150 -8.425 -1.495 267 HD2 TYR 31 2HD TYR 31 6.555 -4.180 -1.263 268 HE1 TYR 31 1HE TYR 31 8.659 -8.089 -3.492 269 HE2 TYR 31 2HE TYR 31 8.222 -3.870 -3.103 270 HH TYR 31 HH TYR 31 9.746 -6.584 -4.812 271 H VAL 32 H VAL 32 6.015 -5.427 2.785 272 HA VAL 32 HA VAL 32 8.635 -4.311 2.603 273 HB VAL 32 HB VAL 32 6.364 -3.133 2.887 274 1HG1 VAL 32 1HG1 VAL 32 5.522 -2.632 5.066 275 2HG1 VAL 32 2HG1 VAL 32 5.815 -4.376 5.026 276 3HG1 VAL 32 3HG1 VAL 32 6.948 -3.320 5.875 277 1HG2 VAL 32 1HG2 VAL 32 8.327 -1.760 2.869 278 2HG2 VAL 32 2HG2 VAL 32 7.241 -1.192 4.136 279 3HG2 VAL 32 3HG2 VAL 32 8.679 -2.116 4.587 280 H LYS 33 H LYS 33 7.281 -6.617 4.676 281 HA LYS 33 HA LYS 33 9.608 -6.503 6.571 282 1HB LYS 33 1HB LYS 33 8.569 -7.986 7.998 283 2HB LYS 33 2HB LYS 33 7.290 -6.898 7.468 284 1HG LYS 33 1HG LYS 33 6.598 -8.671 5.803 285 2HG LYS 33 2HG LYS 33 7.768 -9.767 6.517 286 1HD LYS 33 1HD LYS 33 5.434 -8.436 7.971 287 2HD LYS 33 2HD LYS 33 5.410 -10.074 7.333 288 1HE LYS 33 1HE LYS 33 7.333 -9.094 9.486 289 2HE LYS 33 2HE LYS 33 5.816 -9.933 9.801 290 1HZ LYS 33 1HZ LYS 33 8.107 -11.085 8.301 291 2HZ LYS 33 2HZ LYS 33 7.659 -11.487 9.815 292 3HZ LYS 33 3HZ LYS 33 6.683 -11.846 8.557 293 H ASP 34 H ASP 34 8.716 -7.978 3.674 294 HA ASP 34 HA ASP 34 10.593 -10.224 3.708 295 1HB ASP 34 1HB ASP 34 8.618 -9.081 1.884 296 2HB ASP 34 2HB ASP 34 10.103 -9.301 1.025 297 H THR 35 H THR 35 10.560 -7.074 2.046 298 HA THR 35 HA THR 35 13.577 -6.968 2.069 299 HB THR 35 HB THR 35 13.520 -6.013 -0.191 300 HG1 THR 35 1HG THR 35 10.812 -6.831 -0.292 301 1HG2 THR 35 1HG2 THR 35 13.873 -8.448 -0.011 302 2HG2 THR 35 2HG2 THR 35 12.119 -8.718 -0.158 303 3HG2 THR 35 3HG2 THR 35 13.021 -7.997 -1.502 304 H GLY 36 H GLY 36 10.536 -5.302 2.365 305 1HA GLY 36 1HA GLY 36 10.170 -3.209 3.301 306 2HA GLY 36 2HA GLY 36 11.864 -2.784 3.148 307 H ASN 37 H ASN 37 11.251 -4.014 0.163 308 HA ASN 37 HA ASN 37 11.476 -1.432 -1.063 309 1HB ASN 37 1HB ASN 37 10.833 -4.220 -2.116 310 2HB ASN 37 2HB ASN 37 11.167 -2.851 -3.141 311 1HD2 ASN 37 2HD2 ASN 37 12.703 -5.106 -3.395 312 2HD2 ASN 37 1HD2 ASN 37 14.322 -4.722 -2.819 313 H ASP 38 H ASP 38 10.067 -0.230 -2.326 314 HA ASP 38 HA ASP 38 7.181 -0.560 -2.109 315 1HB ASP 38 1HB ASP 38 9.013 1.326 -3.492 316 2HB ASP 38 2HB ASP 38 7.667 0.877 -4.483 317 HA PRO 39 HA PRO 39 6.852 -3.953 -4.907 318 1HB PRO 39 1HB PRO 39 4.279 -3.783 -5.857 319 2HB PRO 39 2HB PRO 39 4.713 -4.214 -4.176 320 1HG PRO 39 1HG PRO 39 3.960 -1.479 -5.261 321 2HG PRO 39 2HG PRO 39 3.274 -2.331 -3.837 322 1HD PRO 39 1HD PRO 39 5.195 -0.476 -3.528 323 2HD PRO 39 2HD PRO 39 5.248 -1.988 -2.569 324 H ILE 40 H ILE 40 6.917 -0.832 -6.295 325 HA ILE 40 HA ILE 40 7.060 -1.968 -9.083 326 HB ILE 40 HB ILE 40 5.588 0.478 -8.102 327 1HG1 ILE 40 1HG1 ILE 40 4.634 -1.577 -10.133 328 2HG1 ILE 40 2HG1 ILE 40 4.584 -1.971 -8.418 329 1HG2 ILE 40 1HG2 ILE 40 6.424 -0.095 -10.976 330 2HG2 ILE 40 2HG2 ILE 40 5.209 1.107 -10.497 331 3HG2 ILE 40 3HG2 ILE 40 6.877 1.318 -9.997 332 1HD1 ILE 40 1HD1 ILE 40 2.447 -1.062 -9.211 333 2HD1 ILE 40 2HD1 ILE 40 3.181 -0.114 -7.901 334 3HD1 ILE 40 3HD1 ILE 40 3.236 0.482 -9.579 335 H THR 41 H THR 41 8.119 0.745 -6.966 336 HA THR 41 HA THR 41 10.245 1.445 -8.886 337 HB THR 41 HB THR 41 10.937 3.128 -7.228 338 HG1 THR 41 1HG THR 41 8.579 2.253 -6.001 339 1HG2 THR 41 1HG2 THR 41 9.288 3.750 -8.968 340 2HG2 THR 41 2HG2 THR 41 7.961 3.213 -7.913 341 3HG2 THR 41 3HG2 THR 41 8.984 4.584 -7.432 342 H ASN 42 H ASN 42 9.886 -0.817 -6.354 343 HA ASN 42 HA ASN 42 11.045 -1.767 -4.837 344 1HB ASN 42 1HB ASN 42 12.752 -3.129 -5.522 345 2HB ASN 42 2HB ASN 42 11.673 -2.957 -6.883 346 1HD2 ASN 42 2HD2 ASN 42 14.707 -1.487 -5.604 347 2HD2 ASN 42 1HD2 ASN 42 15.463 -1.357 -7.199 348 H GLU 43 H GLU 43 11.275 1.128 -4.739 349 HA GLU 43 HA GLU 43 13.834 1.870 -3.664 350 1HB GLU 43 1HB GLU 43 11.016 2.903 -3.363 351 2HB GLU 43 2HB GLU 43 12.394 3.709 -2.610 352 1HG GLU 43 1HG GLU 43 12.640 3.076 -5.548 353 2HG GLU 43 2HG GLU 43 11.436 4.247 -5.089 354 HA PRO 44 HA PRO 44 13.470 -0.691 0.051 355 1HB PRO 44 1HB PRO 44 15.687 1.137 0.979 356 2HB PRO 44 2HB PRO 44 15.551 -0.644 1.127 357 1HG PRO 44 1HG PRO 44 17.107 0.440 -0.804 358 2HG PRO 44 2HG PRO 44 16.038 -0.946 -1.194 359 1HD PRO 44 1HD PRO 44 15.562 2.001 -1.709 360 2HD PRO 44 2HD PRO 44 15.313 0.604 -2.797 361 H LEU 45 H LEU 45 12.073 -0.490 1.582 362 HA LEU 45 HA LEU 45 10.973 0.034 3.438 363 1HB LEU 45 1HB LEU 45 12.659 2.538 3.647 364 2HB LEU 45 2HB LEU 45 11.276 2.209 4.666 365 HG LEU 45 HG LEU 45 12.334 0.039 5.368 366 1HD1 LEU 45 1HD1 LEU 45 14.776 1.206 3.965 367 2HD1 LEU 45 2HD1 LEU 45 14.841 -0.086 5.183 368 3HD1 LEU 45 3HD1 LEU 45 14.010 -0.373 3.659 369 1HD2 LEU 45 1HD2 LEU 45 12.384 2.066 6.760 370 2HD2 LEU 45 2HD2 LEU 45 13.867 1.125 6.954 371 3HD2 LEU 45 3HD2 LEU 45 13.876 2.596 5.953 372 H SER 46 H SER 46 9.011 0.786 3.826 373 HA SER 46 HA SER 46 7.682 2.552 1.860 374 1HB SER 46 1HB SER 46 7.713 -0.031 1.278 375 2HB SER 46 2HB SER 46 6.354 -0.056 2.397 376 HG SER 46 HG SER 46 6.618 1.450 -0.015 377 H ILE 47 H ILE 47 7.126 0.439 4.640 378 HA ILE 47 HA ILE 47 5.094 1.784 5.814 379 HB ILE 47 HB ILE 47 6.012 -0.511 6.362 380 1HG1 ILE 47 1HG1 ILE 47 5.574 -0.521 8.813 381 2HG1 ILE 47 2HG1 ILE 47 5.449 1.240 8.788 382 1HG2 ILE 47 1HG2 ILE 47 8.001 0.952 8.145 383 2HG2 ILE 47 2HG2 ILE 47 7.802 -0.796 7.962 384 3HG2 ILE 47 3HG2 ILE 47 8.405 0.158 6.604 385 1HD1 ILE 47 1HD1 ILE 47 3.521 1.098 7.272 386 2HD1 ILE 47 2HD1 ILE 47 3.737 -0.662 7.118 387 3HD1 ILE 47 3HD1 ILE 47 3.242 0.051 8.670 388 H GLU 48 H GLU 48 8.433 2.828 6.027 389 HA GLU 48 HA GLU 48 8.110 4.785 8.032 390 1HB GLU 48 1HB GLU 48 10.272 4.754 7.718 391 2HB GLU 48 2HB GLU 48 10.118 3.471 6.604 392 1HG GLU 48 1HG GLU 48 10.038 4.930 4.703 393 2HG GLU 48 2HG GLU 48 10.152 6.382 5.726 394 H GLU 49 H GLU 49 6.846 4.479 4.910 395 HA GLU 49 HA GLU 49 6.286 7.411 4.620 396 1HB GLU 49 1HB GLU 49 7.204 5.404 2.535 397 2HB GLU 49 2HB GLU 49 6.372 6.881 2.068 398 1HG GLU 49 1HG GLU 49 8.902 6.948 3.737 399 2HG GLU 49 2HG GLU 49 8.910 6.892 1.983 400 H ILE 50 H ILE 50 4.893 4.791 5.563 401 HA ILE 50 HA ILE 50 2.784 4.141 3.917 402 HB ILE 50 HB ILE 50 3.547 2.996 5.969 403 1HG1 ILE 50 1HG1 ILE 50 1.203 2.269 6.765 404 2HG1 ILE 50 2HG1 ILE 50 0.567 3.369 5.542 405 1HG2 ILE 50 1HG2 ILE 50 2.744 3.488 8.157 406 2HG2 ILE 50 2HG2 ILE 50 3.440 4.989 7.540 407 3HG2 ILE 50 3HG2 ILE 50 1.676 4.776 7.575 408 1HD1 ILE 50 1HD1 ILE 50 0.791 1.003 4.777 409 2HD1 ILE 50 2HD1 ILE 50 1.776 2.108 3.789 410 3HD1 ILE 50 3HD1 ILE 50 2.541 1.089 5.024 411 H VAL 51 H VAL 51 1.151 5.087 3.127 412 HA VAL 51 HA VAL 51 -0.373 7.203 4.646 413 HB VAL 51 HB VAL 51 -0.210 6.953 1.621 414 1HG1 VAL 51 1HG1 VAL 51 -1.529 9.023 3.444 415 2HG1 VAL 51 2HG1 VAL 51 -1.401 9.138 1.679 416 3HG1 VAL 51 3HG1 VAL 51 -2.376 7.860 2.403 417 1HG2 VAL 51 1HG2 VAL 51 1.040 8.994 3.507 418 2HG2 VAL 51 2HG2 VAL 51 1.899 7.834 2.465 419 3HG2 VAL 51 3HG2 VAL 51 0.965 9.139 1.735 420 H GLU 52 H GLU 52 -1.735 5.820 5.746 421 HA GLU 52 HA GLU 52 -3.276 3.796 4.260 422 1HB GLU 52 1HB GLU 52 -3.935 4.674 7.073 423 2HB GLU 52 2HB GLU 52 -4.241 3.134 6.243 424 1HG GLU 52 1HG GLU 52 -1.824 2.597 6.349 425 2HG GLU 52 2HG GLU 52 -1.518 4.134 7.163 426 H ILE 53 H ILE 53 -5.123 4.090 3.246 427 HA ILE 53 HA ILE 53 -6.404 6.745 3.192 428 HB ILE 53 HB ILE 53 -7.050 4.234 1.614 429 1HG1 ILE 53 1HG1 ILE 53 -4.761 4.735 1.067 430 2HG1 ILE 53 2HG1 ILE 53 -5.801 5.161 -0.274 431 1HG2 ILE 53 1HG2 ILE 53 -7.791 7.149 1.159 432 2HG2 ILE 53 2HG2 ILE 53 -8.079 5.832 0.003 433 3HG2 ILE 53 3HG2 ILE 53 -8.885 5.810 1.569 434 1HD1 ILE 53 1HD1 ILE 53 -4.040 6.838 0.059 435 2HD1 ILE 53 2HD1 ILE 53 -5.631 7.569 0.329 436 3HD1 ILE 53 3HD1 ILE 53 -4.595 7.140 1.711 437 H VAL 54 H VAL 54 -8.218 7.196 4.278 438 HA VAL 54 HA VAL 54 -9.621 5.297 5.970 439 HB VAL 54 HB VAL 54 -10.384 8.117 5.118 440 1HG1 VAL 54 1HG1 VAL 54 -11.897 8.046 7.097 441 2HG1 VAL 54 2HG1 VAL 54 -12.400 6.921 5.838 442 3HG1 VAL 54 3HG1 VAL 54 -11.557 6.314 7.284 443 1HG2 VAL 54 1HG2 VAL 54 -9.124 7.035 7.678 444 2HG2 VAL 54 2HG2 VAL 54 -8.305 8.034 6.460 445 3HG2 VAL 54 3HG2 VAL 54 -9.634 8.713 7.400 446 HA PRO 55 HA PRO 55 -11.857 3.786 2.347 447 1HB PRO 55 1HB PRO 55 -13.185 1.664 3.417 448 2HB PRO 55 2HB PRO 55 -11.410 1.678 3.193 449 1HG PRO 55 1HG PRO 55 -12.965 2.330 5.723 450 2HG PRO 55 2HG PRO 55 -11.582 1.204 5.535 451 1HD PRO 55 1HD PRO 55 -11.251 3.775 6.393 452 2HD PRO 55 2HD PRO 55 -10.046 2.974 5.340 453 H SER 56 H SER 56 -13.444 4.963 5.230 454 HA SER 56 HA SER 56 -16.163 4.717 4.615 455 1HB SER 56 1HB SER 56 -14.814 7.014 6.091 456 2HB SER 56 2HB SER 56 -16.519 6.533 6.204 457 HG SER 56 HG SER 56 -15.269 5.667 7.923 Start of MODEL 15 1 H MET 1 H MET 1 -5.876 1.633 -8.602 2 HA MET 1 HA MET 1 -7.158 1.449 -6.686 3 1HB MET 1 1HB MET 1 -9.006 1.856 -8.350 4 2HB MET 1 2HB MET 1 -9.235 0.108 -8.461 5 1HG MET 1 1HG MET 1 -9.841 0.035 -6.062 6 2HG MET 1 2HG MET 1 -9.455 1.750 -5.904 7 1HE MET 1 1HE MET 1 -11.533 -0.222 -8.740 8 2HE MET 1 2HE MET 1 -11.938 -0.960 -7.174 9 3HE MET 1 3HE MET 1 -13.160 -0.021 -8.062 10 H LEU 2 H LEU 2 -6.251 -1.283 -8.463 11 HA LEU 2 HA LEU 2 -6.675 -3.179 -6.173 12 1HB LEU 2 1HB LEU 2 -6.001 -3.750 -9.085 13 2HB LEU 2 2HB LEU 2 -6.184 -4.962 -7.822 14 HG LEU 2 HG LEU 2 -8.390 -3.137 -8.874 15 1HD1 LEU 2 1HD1 LEU 2 -7.946 -6.139 -9.147 16 2HD1 LEU 2 2HD1 LEU 2 -9.329 -5.217 -9.785 17 3HD1 LEU 2 3HD1 LEU 2 -7.706 -4.930 -10.429 18 1HD2 LEU 2 1HD2 LEU 2 -9.919 -4.574 -7.535 19 2HD2 LEU 2 2HD2 LEU 2 -8.508 -5.365 -6.789 20 3HD2 LEU 2 3HD2 LEU 2 -8.832 -3.634 -6.512 21 H CYS 3 H CYS 3 -5.064 -4.439 -5.384 22 HA CYS 3 HA CYS 3 -2.814 -2.894 -4.808 23 1HB CYS 3 1HB CYS 3 -3.888 -4.347 -3.216 24 2HB CYS 3 2HB CYS 3 -3.702 -5.718 -4.251 25 HG CYS 3 HG CYS 3 -2.290 -6.055 -2.130 26 H ALA 4 H ALA 4 -0.732 -3.127 -4.981 27 HA ALA 4 HA ALA 4 0.297 -3.822 -7.654 28 1HB ALA 4 1HB ALA 4 1.913 -3.018 -5.219 29 2HB ALA 4 2HB ALA 4 2.462 -3.092 -6.902 30 3HB ALA 4 3HB ALA 4 1.245 -1.913 -6.426 31 H ILE 5 H ILE 5 0.350 -5.139 -4.355 32 HA ILE 5 HA ILE 5 2.578 -6.967 -4.755 33 HB ILE 5 HB ILE 5 0.653 -6.475 -2.448 34 1HG1 ILE 5 1HG1 ILE 5 3.023 -6.057 -1.374 35 2HG1 ILE 5 2HG1 ILE 5 3.526 -5.798 -3.036 36 1HG2 ILE 5 1HG2 ILE 5 2.129 -8.112 -1.168 37 2HG2 ILE 5 2HG2 ILE 5 1.184 -8.910 -2.420 38 3HG2 ILE 5 3HG2 ILE 5 2.908 -8.554 -2.690 39 1HD1 ILE 5 1HD1 ILE 5 1.792 -3.978 -3.203 40 2HD1 ILE 5 2HD1 ILE 5 1.277 -4.343 -1.544 41 3HD1 ILE 5 3HD1 ILE 5 2.898 -3.707 -1.854 42 H SER 6 H SER 6 -0.957 -7.456 -4.448 43 HA SER 6 HA SER 6 -0.616 -10.041 -5.921 44 1HB SER 6 1HB SER 6 -0.821 -10.341 -3.392 45 2HB SER 6 2HB SER 6 -2.520 -9.877 -3.613 46 HG SER 6 HG SER 6 -1.140 -12.069 -4.821 47 H GLY 7 H GLY 7 -2.392 -7.068 -5.700 48 1HA GLY 7 1HA GLY 7 -3.994 -6.329 -7.257 49 2HA GLY 7 2HA GLY 7 -4.101 -7.970 -7.838 50 H LYS 8 H LYS 8 -4.303 -7.904 -4.588 51 HA LYS 8 HA LYS 8 -6.929 -8.718 -4.067 52 1HB LYS 8 1HB LYS 8 -4.895 -8.889 -2.596 53 2HB LYS 8 2HB LYS 8 -4.909 -7.141 -2.379 54 1HG LYS 8 1HG LYS 8 -5.810 -8.110 -0.409 55 2HG LYS 8 2HG LYS 8 -7.147 -7.346 -1.260 56 1HD LYS 8 1HD LYS 8 -7.691 -9.661 -2.247 57 2HD LYS 8 2HD LYS 8 -6.394 -10.298 -1.241 58 1HE LYS 8 1HE LYS 8 -8.419 -10.682 -0.021 59 2HE LYS 8 2HE LYS 8 -7.611 -9.336 0.789 60 1HZ LYS 8 1HZ LYS 8 -9.147 -7.821 -0.466 61 2HZ LYS 8 2HZ LYS 8 -9.898 -9.128 -1.110 62 3HZ LYS 8 3HZ LYS 8 -9.962 -8.867 0.493 63 H VAL 9 H VAL 9 -8.812 -7.705 -3.771 64 HA VAL 9 HA VAL 9 -9.279 -4.874 -4.281 65 HB VAL 9 HB VAL 9 -11.067 -6.937 -2.928 66 1HG1 VAL 9 1HG1 VAL 9 -12.895 -5.343 -3.494 67 2HG1 VAL 9 2HG1 VAL 9 -11.756 -4.629 -2.353 68 3HG1 VAL 9 3HG1 VAL 9 -11.693 -4.169 -4.068 69 1HG2 VAL 9 1HG2 VAL 9 -12.232 -7.018 -5.101 70 2HG2 VAL 9 2HG2 VAL 9 -11.037 -5.906 -5.800 71 3HG2 VAL 9 3HG2 VAL 9 -10.552 -7.533 -5.283 72 HA PRO 10 HA PRO 10 -7.174 -4.122 -0.431 73 1HB PRO 10 1HB PRO 10 -8.237 -1.313 -0.698 74 2HB PRO 10 2HB PRO 10 -6.585 -1.894 -0.304 75 1HG PRO 10 1HG PRO 10 -7.172 -1.053 -2.805 76 2HG PRO 10 2HG PRO 10 -6.183 -2.533 -2.561 77 1HD PRO 10 1HD PRO 10 -9.150 -2.328 -3.151 78 2HD PRO 10 2HD PRO 10 -7.915 -3.372 -3.905 79 H ARG 11 H ARG 11 -8.129 -5.237 1.121 80 HA ARG 11 HA ARG 11 -10.536 -4.716 2.592 81 1HB ARG 11 1HB ARG 11 -9.415 -6.835 2.719 82 2HB ARG 11 2HB ARG 11 -7.915 -6.079 3.248 83 1HG ARG 11 1HG ARG 11 -8.859 -5.551 5.431 84 2HG ARG 11 2HG ARG 11 -10.454 -6.129 4.918 85 1HD ARG 11 1HD ARG 11 -9.238 -7.773 6.322 86 2HD ARG 11 2HD ARG 11 -9.634 -8.404 4.717 87 HE ARG 11 HE ARG 11 -7.020 -7.385 4.458 88 1HH1 ARG 11 2HH2 ARG 11 -8.406 -9.943 6.415 89 2HH1 ARG 11 1HH2 ARG 11 -6.915 -10.853 6.344 90 1HH2 ARG 11 2HH1 ARG 11 -5.338 -8.470 4.393 91 2HH2 ARG 11 1HH1 ARG 11 -5.140 -10.026 5.220 92 H ARG 12 H ARG 12 -7.221 -3.550 3.143 93 HA ARG 12 HA ARG 12 -8.347 -1.094 4.443 94 1HB ARG 12 1HB ARG 12 -5.920 -2.675 5.346 95 2HB ARG 12 2HB ARG 12 -6.291 -1.037 5.885 96 1HG ARG 12 1HG ARG 12 -8.045 -3.494 6.340 97 2HG ARG 12 2HG ARG 12 -6.961 -2.763 7.518 98 1HD ARG 12 1HD ARG 12 -8.255 -0.673 7.482 99 2HD ARG 12 2HD ARG 12 -9.357 -1.337 6.279 100 HE ARG 12 HE ARG 12 -9.232 -1.996 9.147 101 1HH1 ARG 12 2HH2 ARG 12 -10.694 -2.958 6.075 102 2HH1 ARG 12 1HH2 ARG 12 -12.012 -3.749 6.903 103 1HH2 ARG 12 2HH1 ARG 12 -10.908 -3.062 10.072 104 2HH2 ARG 12 1HH1 ARG 12 -12.108 -3.835 9.077 105 HA PRO 13 HA PRO 13 -6.091 -0.028 0.633 106 1HB PRO 13 1HB PRO 13 -7.095 2.576 0.383 107 2HB PRO 13 2HB PRO 13 -7.829 1.093 -0.294 108 1HG PRO 13 1HG PRO 13 -8.464 2.439 2.351 109 2HG PRO 13 2HG PRO 13 -9.611 1.849 1.100 110 1HD PRO 13 1HD PRO 13 -9.166 0.273 3.175 111 2HD PRO 13 2HD PRO 13 -8.968 -0.431 1.521 112 H VAL 14 H VAL 14 -4.246 0.692 0.416 113 HA VAL 14 HA VAL 14 -3.126 2.866 2.147 114 HB VAL 14 HB VAL 14 -2.827 0.188 2.794 115 1HG1 VAL 14 1HG1 VAL 14 -1.398 -0.333 0.977 116 2HG1 VAL 14 2HG1 VAL 14 -0.265 0.989 1.388 117 3HG1 VAL 14 3HG1 VAL 14 -0.462 -0.386 2.476 118 1HG2 VAL 14 1HG2 VAL 14 -2.540 1.891 4.363 119 2HG2 VAL 14 2HG2 VAL 14 -1.033 0.982 4.322 120 3HG2 VAL 14 3HG2 VAL 14 -1.124 2.566 3.503 121 H LEU 15 H LEU 15 -1.388 4.005 1.342 122 HA LEU 15 HA LEU 15 -0.782 3.579 -1.574 123 1HB LEU 15 1HB LEU 15 -2.509 5.216 -1.385 124 2HB LEU 15 2HB LEU 15 -1.765 5.972 0.008 125 HG LEU 15 HG LEU 15 0.050 6.877 -1.429 126 1HD1 LEU 15 1HD1 LEU 15 -0.231 6.960 -3.847 127 2HD1 LEU 15 2HD1 LEU 15 -0.127 5.263 -3.363 128 3HD1 LEU 15 3HD1 LEU 15 -1.698 5.969 -3.759 129 1HD2 LEU 15 1HD2 LEU 15 -1.946 8.191 -0.828 130 2HD2 LEU 15 2HD2 LEU 15 -1.338 8.620 -2.432 131 3HD2 LEU 15 3HD2 LEU 15 -2.782 7.593 -2.276 132 H SER 16 H SER 16 1.188 4.390 -2.308 133 HA SER 16 HA SER 16 3.244 5.237 -0.311 134 1HB SER 16 1HB SER 16 3.867 3.065 -1.116 135 2HB SER 16 2HB SER 16 3.496 3.532 -2.796 136 HG SER 16 HG SER 16 5.715 3.561 -2.327 137 HA PRO 17 HA PRO 17 3.316 8.937 -3.019 138 1HB PRO 17 1HB PRO 17 6.076 9.146 -1.816 139 2HB PRO 17 2HB PRO 17 4.834 10.419 -2.014 140 1HG PRO 17 1HG PRO 17 5.254 9.282 0.414 141 2HG PRO 17 2HG PRO 17 3.580 9.585 -0.157 142 1HD PRO 17 1HD PRO 17 5.149 6.993 -0.227 143 2HD PRO 17 2HD PRO 17 3.460 7.281 0.286 144 H LYS 18 H LYS 18 5.493 6.249 -3.018 145 HA LYS 18 HA LYS 18 7.068 7.126 -5.390 146 1HB LYS 18 1HB LYS 18 7.353 4.724 -3.559 147 2HB LYS 18 2HB LYS 18 8.435 5.134 -4.878 148 1HG LYS 18 1HG LYS 18 9.469 6.827 -3.762 149 2HG LYS 18 2HG LYS 18 8.050 7.300 -2.832 150 1HD LYS 18 1HD LYS 18 9.471 4.673 -2.326 151 2HD LYS 18 2HD LYS 18 9.984 6.178 -1.537 152 1HE LYS 18 1HE LYS 18 7.905 6.434 -0.414 153 2HE LYS 18 2HE LYS 18 7.107 5.239 -1.438 154 1HZ LYS 18 1HZ LYS 18 8.391 3.500 -0.445 155 2HZ LYS 18 2HZ LYS 18 9.253 4.576 0.480 156 3HZ LYS 18 3HZ LYS 18 7.657 4.347 0.742 157 H SER 19 H SER 19 5.308 4.119 -4.445 158 HA SER 19 HA SER 19 5.171 3.230 -7.207 159 1HB SER 19 1HB SER 19 3.892 2.165 -4.670 160 2HB SER 19 2HB SER 19 3.828 1.376 -6.252 161 HG SER 19 HG SER 19 6.000 1.812 -4.528 162 H ARG 20 H ARG 20 3.090 5.220 -5.313 163 HA ARG 20 HA ARG 20 1.188 6.359 -5.656 164 1HB ARG 20 1HB ARG 20 2.213 6.032 -8.470 165 2HB ARG 20 2HB ARG 20 0.795 7.014 -8.128 166 1HG ARG 20 1HG ARG 20 1.957 8.588 -6.864 167 2HG ARG 20 2HG ARG 20 3.299 7.510 -6.502 168 1HD ARG 20 1HD ARG 20 2.727 8.497 -9.312 169 2HD ARG 20 2HD ARG 20 3.775 9.365 -8.177 170 HE ARG 20 HE ARG 20 4.918 6.960 -8.021 171 1HH1 ARG 20 2HH2 ARG 20 4.097 8.631 -10.989 172 2HH1 ARG 20 1HH2 ARG 20 5.350 7.792 -11.870 173 1HH2 ARG 20 2HH1 ARG 20 6.402 5.995 -9.115 174 2HH2 ARG 20 1HH1 ARG 20 6.660 6.320 -10.821 175 H THR 21 H THR 21 0.969 3.219 -6.926 176 HA THR 21 HA THR 21 -1.934 3.254 -7.409 177 HB THR 21 HB THR 21 -0.411 1.551 -8.494 178 HG1 THR 21 1HG THR 21 -1.791 -0.159 -8.117 179 1HG2 THR 21 1HG2 THR 21 1.081 1.195 -6.515 180 2HG2 THR 21 2HG2 THR 21 -0.253 0.256 -5.784 181 3HG2 THR 21 3HG2 THR 21 0.455 -0.239 -7.343 182 H ILE 22 H ILE 22 -3.211 1.504 -6.046 183 HA ILE 22 HA ILE 22 -2.876 2.104 -3.120 184 HB ILE 22 HB ILE 22 -5.448 1.352 -4.512 185 1HG1 ILE 22 1HG1 ILE 22 -4.926 3.536 -5.371 186 2HG1 ILE 22 2HG1 ILE 22 -6.249 3.639 -4.225 187 1HG2 ILE 22 1HG2 ILE 22 -5.391 0.721 -2.157 188 2HG2 ILE 22 2HG2 ILE 22 -4.869 2.355 -1.696 189 3HG2 ILE 22 3HG2 ILE 22 -6.486 2.091 -2.383 190 1HD1 ILE 22 1HD1 ILE 22 -4.725 4.541 -2.502 191 2HD1 ILE 22 2HD1 ILE 22 -3.355 4.380 -3.618 192 3HD1 ILE 22 3HD1 ILE 22 -4.666 5.516 -3.977 193 H PHE 23 H PHE 23 -2.193 0.410 -2.030 194 HA PHE 23 HA PHE 23 -2.920 -2.347 -2.917 195 1HB PHE 23 1HB PHE 23 -0.759 -2.794 -1.299 196 2HB PHE 23 2HB PHE 23 -0.823 -2.866 -3.047 197 HD1 PHE 23 1HD PHE 23 0.462 -1.508 -4.360 198 HD2 PHE 23 2HD PHE 23 0.227 -0.833 -0.239 199 HE1 PHE 23 1HE PHE 23 2.245 0.221 -4.621 200 HE2 PHE 23 2HE PHE 23 1.926 1.081 -0.434 201 HZ PHE 23 HZ PHE 23 2.976 1.496 -2.626 202 H GLU 24 H GLU 24 -2.800 -3.938 -1.048 203 HA GLU 24 HA GLU 24 -4.641 -2.933 0.996 204 1HB GLU 24 1HB GLU 24 -4.420 -5.365 -0.170 205 2HB GLU 24 2HB GLU 24 -3.408 -5.648 1.247 206 1HG GLU 24 1HG GLU 24 -6.089 -4.372 1.708 207 2HG GLU 24 2HG GLU 24 -6.095 -6.032 1.133 208 H LYS 25 H LYS 25 -3.994 -2.566 3.199 209 HA LYS 25 HA LYS 25 -1.365 -1.702 3.849 210 1HB LYS 25 1HB LYS 25 -3.371 -1.014 5.062 211 2HB LYS 25 2HB LYS 25 -3.616 -2.671 5.642 212 1HG LYS 25 1HG LYS 25 -1.519 -2.609 6.891 213 2HG LYS 25 2HG LYS 25 -1.115 -1.018 6.216 214 1HD LYS 25 1HD LYS 25 -3.007 0.005 7.369 215 2HD LYS 25 2HD LYS 25 -3.557 -1.584 7.955 216 1HE LYS 25 1HE LYS 25 -1.518 -1.875 9.263 217 2HE LYS 25 2HE LYS 25 -0.825 -0.392 8.586 218 1HZ LYS 25 1HZ LYS 25 -2.543 0.886 9.655 219 2HZ LYS 25 2HZ LYS 25 -3.273 -0.452 10.268 220 3HZ LYS 25 3HZ LYS 25 -1.786 -0.013 10.794 221 H SER 26 H SER 26 -3.058 -4.753 4.352 222 HA SER 26 HA SER 26 -0.994 -6.011 5.827 223 1HB SER 26 1HB SER 26 -3.051 -7.500 4.168 224 2HB SER 26 2HB SER 26 -2.216 -8.062 5.621 225 HG SER 26 HG SER 26 -4.197 -6.062 5.342 226 H LEU 27 H LEU 27 -1.646 -6.105 2.278 227 HA LEU 27 HA LEU 27 0.319 -8.158 1.741 228 1HB LEU 27 1HB LEU 27 -1.010 -6.152 -0.135 229 2HB LEU 27 2HB LEU 27 -0.054 -7.545 -0.579 230 HG LEU 27 HG LEU 27 -2.898 -7.377 0.098 231 1HD1 LEU 27 1HD1 LEU 27 -2.007 -8.001 -2.072 232 2HD1 LEU 27 2HD1 LEU 27 -1.217 -9.418 -1.335 233 3HD1 LEU 27 3HD1 LEU 27 -2.992 -9.302 -1.369 234 1HD2 LEU 27 1HD2 LEU 27 -3.096 -9.715 0.915 235 2HD2 LEU 27 2HD2 LEU 27 -1.334 -9.791 1.117 236 3HD2 LEU 27 3HD2 LEU 27 -2.319 -8.685 2.107 237 H LEU 28 H LEU 28 0.306 -4.603 1.624 238 HA LEU 28 HA LEU 28 2.927 -4.275 0.450 239 1HB LEU 28 1HB LEU 28 1.371 -2.420 0.625 240 2HB LEU 28 2HB LEU 28 1.456 -2.462 2.386 241 HG LEU 28 HG LEU 28 4.021 -2.090 2.139 242 1HD1 LEU 28 1HD1 LEU 28 3.180 -1.497 -0.719 243 2HD1 LEU 28 2HD1 LEU 28 4.691 -0.936 0.016 244 3HD1 LEU 28 3HD1 LEU 28 4.391 -2.665 -0.163 245 1HD2 LEU 28 1HD2 LEU 28 2.685 -0.402 2.978 246 2HD2 LEU 28 2HD2 LEU 28 3.700 0.351 1.730 247 3HD2 LEU 28 3HD2 LEU 28 1.986 -0.017 1.405 248 H GLU 29 H GLU 29 1.663 -4.405 3.828 249 HA GLU 29 HA GLU 29 4.116 -4.030 5.215 250 1HB GLU 29 1HB GLU 29 1.814 -3.985 6.249 251 2HB GLU 29 2HB GLU 29 1.789 -5.751 6.144 252 1HG GLU 29 1HG GLU 29 4.093 -5.504 7.497 253 2HG GLU 29 2HG GLU 29 3.439 -3.923 7.898 254 H GLN 30 H GLN 30 2.619 -7.039 4.005 255 HA GLN 30 HA GLN 30 4.585 -8.864 4.991 256 1HB GLN 30 1HB GLN 30 2.396 -9.497 3.988 257 2HB GLN 30 2HB GLN 30 2.991 -9.059 2.400 258 1HG GLN 30 1HG GLN 30 3.118 -11.501 2.803 259 2HG GLN 30 2HG GLN 30 4.688 -10.792 2.444 260 1HE2 GLN 30 1HE2 GLN 30 6.355 -11.624 3.758 261 2HE2 GLN 30 2HE2 GLN 30 6.053 -12.179 5.403 262 H TYR 31 H TYR 31 4.414 -7.143 1.905 263 HA TYR 31 HA TYR 31 6.777 -8.335 0.737 264 1HB TYR 31 1HB TYR 31 4.901 -7.255 -0.512 265 2HB TYR 31 2HB TYR 31 5.409 -5.685 0.096 266 HD1 TYR 31 1HD TYR 31 6.857 -4.396 -1.294 267 HD2 TYR 31 2HD TYR 31 6.807 -8.672 -1.662 268 HE1 TYR 31 1HE TYR 31 8.424 -4.264 -3.228 269 HE2 TYR 31 2HE TYR 31 8.242 -8.487 -3.744 270 HH TYR 31 HH TYR 31 9.496 -5.373 -4.893 271 H VAL 32 H VAL 32 6.213 -5.451 2.625 272 HA VAL 32 HA VAL 32 8.957 -4.565 2.312 273 HB VAL 32 HB VAL 32 6.465 -3.358 3.444 274 1HG1 VAL 32 1HG1 VAL 32 8.160 -2.385 4.876 275 2HG1 VAL 32 2HG1 VAL 32 9.066 -1.860 3.433 276 3HG1 VAL 32 3HG1 VAL 32 7.443 -1.242 3.748 277 1HG2 VAL 32 1HG2 VAL 32 8.123 -2.349 1.165 278 2HG2 VAL 32 2HG2 VAL 32 6.900 -3.604 0.943 279 3HG2 VAL 32 3HG2 VAL 32 6.415 -2.051 1.556 280 H LYS 33 H LYS 33 7.423 -6.553 4.544 281 HA LYS 33 HA LYS 33 9.665 -6.228 6.523 282 1HB LYS 33 1HB LYS 33 8.505 -7.330 8.156 283 2HB LYS 33 2HB LYS 33 7.332 -6.265 7.401 284 1HG LYS 33 1HG LYS 33 6.515 -8.319 6.088 285 2HG LYS 33 2HG LYS 33 7.546 -9.300 7.135 286 1HD LYS 33 1HD LYS 33 6.352 -8.454 9.126 287 2HD LYS 33 2HD LYS 33 5.384 -7.375 8.107 288 1HE LYS 33 1HE LYS 33 4.446 -9.362 6.928 289 2HE LYS 33 2HE LYS 33 5.343 -10.419 8.025 290 1HZ LYS 33 1HZ LYS 33 3.039 -10.043 8.766 291 2HZ LYS 33 2HZ LYS 33 4.085 -9.450 9.868 292 3HZ LYS 33 3HZ LYS 33 3.287 -8.427 8.870 293 H ASP 34 H ASP 34 8.792 -7.956 3.850 294 HA ASP 34 HA ASP 34 10.513 -10.311 4.136 295 1HB ASP 34 1HB ASP 34 8.613 -9.180 2.186 296 2HB ASP 34 2HB ASP 34 10.065 -9.666 1.394 297 H THR 35 H THR 35 10.627 -7.453 1.974 298 HA THR 35 HA THR 35 13.632 -7.378 2.142 299 HB THR 35 HB THR 35 13.684 -6.731 -0.187 300 HG1 THR 35 1HG THR 35 11.747 -6.956 -1.410 301 1HG2 THR 35 1HG2 THR 35 13.817 -9.159 0.353 302 2HG2 THR 35 2HG2 THR 35 12.066 -9.296 0.087 303 3HG2 THR 35 3HG2 THR 35 13.134 -8.836 -1.253 304 H GLY 36 H GLY 36 10.657 -5.471 2.208 305 1HA GLY 36 1HA GLY 36 10.539 -3.350 3.182 306 2HA GLY 36 2HA GLY 36 12.258 -3.114 2.994 307 H ASN 37 H ASN 37 11.792 -4.130 0.087 308 HA ASN 37 HA ASN 37 11.862 -1.448 -1.022 309 1HB ASN 37 1HB ASN 37 11.575 -4.175 -2.375 310 2HB ASN 37 2HB ASN 37 12.001 -2.686 -3.199 311 1HD2 ASN 37 1HD2 ASN 37 14.133 -1.682 -2.744 312 2HD2 ASN 37 2HD2 ASN 37 15.386 -2.721 -2.056 313 H ASP 38 H ASP 38 10.337 -0.234 -2.176 314 HA ASP 38 HA ASP 38 7.563 -0.707 -1.954 315 1HB ASP 38 1HB ASP 38 9.333 1.139 -3.451 316 2HB ASP 38 2HB ASP 38 7.899 0.734 -4.335 317 HA PRO 39 HA PRO 39 6.871 -4.000 -4.802 318 1HB PRO 39 1HB PRO 39 4.267 -3.750 -5.476 319 2HB PRO 39 2HB PRO 39 4.809 -4.084 -3.804 320 1HG PRO 39 1HG PRO 39 4.115 -1.373 -4.989 321 2HG PRO 39 2HG PRO 39 3.462 -2.117 -3.494 322 1HD PRO 39 1HD PRO 39 5.524 -0.383 -3.385 323 2HD PRO 39 2HD PRO 39 5.506 -1.841 -2.346 324 H ILE 40 H ILE 40 6.821 -0.782 -6.071 325 HA ILE 40 HA ILE 40 6.930 -1.856 -8.886 326 HB ILE 40 HB ILE 40 5.387 0.517 -7.834 327 1HG1 ILE 40 1HG1 ILE 40 4.420 -1.563 -9.826 328 2HG1 ILE 40 2HG1 ILE 40 4.453 -1.958 -8.111 329 1HG2 ILE 40 1HG2 ILE 40 4.888 1.115 -10.216 330 2HG2 ILE 40 2HG2 ILE 40 6.564 1.406 -9.770 331 3HG2 ILE 40 3HG2 ILE 40 6.143 -0.026 -10.735 332 1HD1 ILE 40 1HD1 ILE 40 2.255 -1.142 -8.798 333 2HD1 ILE 40 2HD1 ILE 40 3.006 -0.148 -7.537 334 3HD1 ILE 40 3HD1 ILE 40 2.952 0.435 -9.219 335 H THR 41 H THR 41 7.910 0.848 -6.718 336 HA THR 41 HA THR 41 9.953 1.700 -8.662 337 HB THR 41 HB THR 41 10.537 3.416 -6.944 338 HG1 THR 41 1HG THR 41 8.108 2.491 -5.895 339 1HG2 THR 41 1HG2 THR 41 7.630 3.357 -7.875 340 2HG2 THR 41 2HG2 THR 41 8.564 4.785 -7.366 341 3HG2 THR 41 3HG2 THR 41 9.018 3.914 -8.841 342 H ASN 42 H ASN 42 9.830 -0.655 -6.213 343 HA ASN 42 HA ASN 42 11.115 -1.557 -4.742 344 1HB ASN 42 1HB ASN 42 12.938 -2.699 -5.555 345 2HB ASN 42 2HB ASN 42 11.786 -2.576 -6.857 346 1HD2 ASN 42 1HD2 ASN 42 14.701 -0.838 -5.626 347 2HD2 ASN 42 2HD2 ASN 42 15.368 -0.560 -7.242 348 H GLU 43 H GLU 43 11.074 1.328 -4.458 349 HA GLU 43 HA GLU 43 13.613 2.229 -3.433 350 1HB GLU 43 1HB GLU 43 10.745 2.992 -2.902 351 2HB GLU 43 2HB GLU 43 12.110 3.891 -2.228 352 1HG GLU 43 1HG GLU 43 12.147 3.398 -5.210 353 2HG GLU 43 2HG GLU 43 10.903 4.449 -4.597 354 HA PRO 44 HA PRO 44 13.680 -0.549 0.159 355 1HB PRO 44 1HB PRO 44 15.683 1.495 1.122 356 2HB PRO 44 2HB PRO 44 15.766 -0.293 1.192 357 1HG PRO 44 1HG PRO 44 17.121 1.054 -0.721 358 2HG PRO 44 2HG PRO 44 16.216 -0.433 -1.149 359 1HD PRO 44 1HD PRO 44 15.376 2.449 -1.539 360 2HD PRO 44 2HD PRO 44 15.246 1.064 -2.665 361 H LEU 45 H LEU 45 12.231 -0.601 1.706 362 HA LEU 45 HA LEU 45 10.863 -0.247 3.380 363 1HB LEU 45 1HB LEU 45 12.489 2.208 4.018 364 2HB LEU 45 2HB LEU 45 11.066 1.746 4.930 365 HG LEU 45 HG LEU 45 13.377 -0.197 4.500 366 1HD1 LEU 45 1HD1 LEU 45 14.242 1.825 5.614 367 2HD1 LEU 45 2HD1 LEU 45 12.933 1.739 6.814 368 3HD1 LEU 45 3HD1 LEU 45 14.172 0.460 6.740 369 1HD2 LEU 45 1HD2 LEU 45 11.155 -0.057 6.590 370 2HD2 LEU 45 2HD2 LEU 45 11.269 -1.238 5.267 371 3HD2 LEU 45 3HD2 LEU 45 12.473 -1.243 6.552 372 H SER 46 H SER 46 8.899 0.467 3.758 373 HA SER 46 HA SER 46 7.714 2.462 1.928 374 1HB SER 46 1HB SER 46 7.641 -0.037 1.113 375 2HB SER 46 2HB SER 46 6.205 -0.042 2.152 376 HG SER 46 HG SER 46 6.783 1.573 -0.103 377 H ILE 47 H ILE 47 6.733 0.118 4.394 378 HA ILE 47 HA ILE 47 4.634 1.553 5.400 379 HB ILE 47 HB ILE 47 5.206 -0.905 5.698 380 1HG1 ILE 47 1HG1 ILE 47 4.210 -1.126 8.021 381 2HG1 ILE 47 2HG1 ILE 47 4.179 0.638 8.110 382 1HG2 ILE 47 1HG2 ILE 47 7.520 -0.578 6.591 383 2HG2 ILE 47 2HG2 ILE 47 6.810 0.019 8.113 384 3HG2 ILE 47 3HG2 ILE 47 6.519 -1.645 7.579 385 1HD1 ILE 47 1HD1 ILE 47 2.734 0.673 6.065 386 2HD1 ILE 47 2HD1 ILE 47 2.799 -1.101 6.004 387 3HD1 ILE 47 3HD1 ILE 47 2.010 -0.283 7.372 388 H GLU 48 H GLU 48 7.922 1.964 6.216 389 HA GLU 48 HA GLU 48 7.602 3.713 8.519 390 1HB GLU 48 1HB GLU 48 9.914 3.251 6.588 391 2HB GLU 48 2HB GLU 48 10.016 4.271 8.019 392 1HG GLU 48 1HG GLU 48 9.397 1.285 8.072 393 2HG GLU 48 2HG GLU 48 10.975 2.004 8.349 394 H GLU 49 H GLU 49 6.829 4.058 5.286 395 HA GLU 49 HA GLU 49 6.890 7.049 5.416 396 1HB GLU 49 1HB GLU 49 8.829 5.993 4.139 397 2HB GLU 49 2HB GLU 49 7.654 5.429 2.951 398 1HG GLU 49 1HG GLU 49 7.166 7.682 2.266 399 2HG GLU 49 2HG GLU 49 7.902 8.363 3.723 400 H ILE 50 H ILE 50 4.915 4.638 5.563 401 HA ILE 50 HA ILE 50 3.228 4.559 3.437 402 HB ILE 50 HB ILE 50 3.436 3.091 5.457 403 1HG1 ILE 50 1HG1 ILE 50 1.121 2.272 5.521 404 2HG1 ILE 50 2HG1 ILE 50 0.583 3.691 4.625 405 1HG2 ILE 50 1HG2 ILE 50 1.431 4.944 6.786 406 2HG2 ILE 50 2HG2 ILE 50 2.071 3.418 7.425 407 3HG2 ILE 50 3HG2 ILE 50 3.143 4.811 7.224 408 1HD1 ILE 50 1HD1 ILE 50 2.793 1.845 3.612 409 2HD1 ILE 50 2HD1 ILE 50 1.083 1.545 3.275 410 3HD1 ILE 50 3HD1 ILE 50 1.845 3.018 2.672 411 H VAL 51 H VAL 51 1.307 5.235 2.875 412 HA VAL 51 HA VAL 51 -0.010 7.564 4.252 413 HB VAL 51 HB VAL 51 0.002 7.079 1.250 414 1HG1 VAL 51 1HG1 VAL 51 -1.238 9.283 2.963 415 2HG1 VAL 51 2HG1 VAL 51 -1.145 9.294 1.190 416 3HG1 VAL 51 3HG1 VAL 51 -2.125 8.073 2.006 417 1HG2 VAL 51 1HG2 VAL 51 1.299 9.288 2.907 418 2HG2 VAL 51 2HG2 VAL 51 2.161 8.005 2.040 419 3HG2 VAL 51 3HG2 VAL 51 1.239 9.211 1.130 420 H GLU 52 H GLU 52 -1.243 6.187 5.550 421 HA GLU 52 HA GLU 52 -2.809 4.024 4.357 422 1HB GLU 52 1HB GLU 52 -3.218 5.202 7.116 423 2HB GLU 52 2HB GLU 52 -3.696 3.602 6.511 424 1HG GLU 52 1HG GLU 52 -1.388 2.868 6.440 425 2HG GLU 52 2HG GLU 52 -0.814 4.485 6.882 426 H ILE 53 H ILE 53 -4.883 3.973 3.728 427 HA ILE 53 HA ILE 53 -6.529 6.476 3.899 428 HB ILE 53 HB ILE 53 -6.383 4.324 1.771 429 1HG1 ILE 53 1HG1 ILE 53 -5.821 7.301 1.451 430 2HG1 ILE 53 2HG1 ILE 53 -4.549 6.172 1.886 431 1HG2 ILE 53 1HG2 ILE 53 -8.023 5.709 0.496 432 2HG2 ILE 53 2HG2 ILE 53 -8.713 5.044 1.957 433 3HG2 ILE 53 3HG2 ILE 53 -8.220 6.754 1.919 434 1HD1 ILE 53 1HD1 ILE 53 -4.942 4.857 -0.154 435 2HD1 ILE 53 2HD1 ILE 53 -6.161 6.044 -0.682 436 3HD1 ILE 53 3HD1 ILE 53 -4.474 6.535 -0.483 437 H VAL 54 H VAL 54 -8.717 6.297 4.430 438 HA VAL 54 HA VAL 54 -9.395 4.150 6.243 439 HB VAL 54 HB VAL 54 -11.624 5.246 6.395 440 1HG1 VAL 54 1HG1 VAL 54 -9.751 5.840 7.880 441 2HG1 VAL 54 2HG1 VAL 54 -9.238 7.107 6.748 442 3HG1 VAL 54 3HG1 VAL 54 -10.808 7.225 7.569 443 1HG2 VAL 54 1HG2 VAL 54 -11.791 6.268 4.130 444 2HG2 VAL 54 2HG2 VAL 54 -11.989 7.456 5.421 445 3HG2 VAL 54 3HG2 VAL 54 -10.458 7.374 4.538 446 HA PRO 55 HA PRO 55 -11.376 1.405 3.321 447 1HB PRO 55 1HB PRO 55 -12.731 -0.285 4.972 448 2HB PRO 55 2HB PRO 55 -10.942 -0.232 4.905 449 1HG PRO 55 1HG PRO 55 -12.772 1.177 6.888 450 2HG PRO 55 2HG PRO 55 -11.345 0.150 7.244 451 1HD PRO 55 1HD PRO 55 -11.175 2.867 7.141 452 2HD PRO 55 2HD PRO 55 -9.842 1.828 6.547 453 H SER 56 H SER 56 -13.226 3.488 5.389 454 HA SER 56 HA SER 56 -15.469 3.569 3.475 455 1HB SER 56 1HB SER 56 -16.143 1.855 5.142 456 2HB SER 56 2HB SER 56 -15.916 3.045 6.442 457 HG SER 56 HG SER 56 -18.108 2.901 5.694 Start of MODEL 16 1 H MET 1 H MET 1 -6.197 2.198 -7.988 2 HA MET 1 HA MET 1 -7.205 1.382 -6.010 3 1HB MET 1 1HB MET 1 -9.150 0.670 -8.236 4 2HB MET 1 2HB MET 1 -9.585 0.767 -6.528 5 1HG MET 1 1HG MET 1 -8.509 3.070 -8.192 6 2HG MET 1 2HG MET 1 -10.196 2.803 -7.763 7 1HE MET 1 1HE MET 1 -10.307 5.322 -6.916 8 2HE MET 1 2HE MET 1 -9.198 6.004 -5.703 9 3HE MET 1 3HE MET 1 -8.582 5.541 -7.304 10 H LEU 2 H LEU 2 -6.046 -0.946 -8.042 11 HA LEU 2 HA LEU 2 -6.612 -3.134 -6.072 12 1HB LEU 2 1HB LEU 2 -5.984 -3.409 -9.038 13 2HB LEU 2 2HB LEU 2 -6.112 -4.751 -7.905 14 HG LEU 2 HG LEU 2 -8.392 -2.875 -8.677 15 1HD1 LEU 2 1HD1 LEU 2 -7.868 -5.793 -9.375 16 2HD1 LEU 2 2HD1 LEU 2 -9.297 -4.840 -9.839 17 3HD1 LEU 2 3HD1 LEU 2 -7.702 -4.410 -10.481 18 1HD2 LEU 2 1HD2 LEU 2 -8.384 -5.372 -6.918 19 2HD2 LEU 2 2HD2 LEU 2 -8.747 -3.708 -6.395 20 3HD2 LEU 2 3HD2 LEU 2 -9.833 -4.532 -7.513 21 H CYS 3 H CYS 3 -4.988 -4.483 -5.412 22 HA CYS 3 HA CYS 3 -2.761 -2.882 -4.770 23 1HB CYS 3 1HB CYS 3 -3.868 -4.365 -3.201 24 2HB CYS 3 2HB CYS 3 -3.617 -5.727 -4.226 25 HG CYS 3 HG CYS 3 -2.232 -5.993 -2.083 26 H ALA 4 H ALA 4 -0.690 -3.082 -5.020 27 HA ALA 4 HA ALA 4 0.233 -4.141 -7.663 28 1HB ALA 4 1HB ALA 4 0.758 -1.760 -6.969 29 2HB ALA 4 2HB ALA 4 1.910 -2.459 -5.798 30 3HB ALA 4 3HB ALA 4 2.120 -2.750 -7.520 31 H ILE 5 H ILE 5 0.312 -5.066 -4.330 32 HA ILE 5 HA ILE 5 2.729 -6.727 -4.568 33 HB ILE 5 HB ILE 5 0.659 -6.389 -2.368 34 1HG1 ILE 5 1HG1 ILE 5 2.944 -5.849 -1.171 35 2HG1 ILE 5 2HG1 ILE 5 3.504 -5.503 -2.801 36 1HG2 ILE 5 1HG2 ILE 5 1.346 -8.777 -2.411 37 2HG2 ILE 5 2HG2 ILE 5 3.055 -8.308 -2.575 38 3HG2 ILE 5 3HG2 ILE 5 2.173 -7.982 -1.073 39 1HD1 ILE 5 1HD1 ILE 5 1.088 -4.275 -1.384 40 2HD1 ILE 5 2HD1 ILE 5 2.655 -3.494 -1.623 41 3HD1 ILE 5 3HD1 ILE 5 1.631 -3.825 -3.018 42 H SER 6 H SER 6 -0.820 -7.387 -4.328 43 HA SER 6 HA SER 6 -0.325 -9.794 -6.024 44 1HB SER 6 1HB SER 6 -2.050 -9.973 -3.562 45 2HB SER 6 2HB SER 6 -1.699 -11.255 -4.712 46 HG SER 6 HG SER 6 0.525 -11.084 -4.127 47 H GLY 7 H GLY 7 -2.305 -7.013 -5.696 48 1HA GLY 7 1HA GLY 7 -3.851 -6.397 -7.370 49 2HA GLY 7 2HA GLY 7 -3.816 -8.060 -7.911 50 H LYS 8 H LYS 8 -4.331 -8.022 -4.761 51 HA LYS 8 HA LYS 8 -7.071 -8.936 -4.659 52 1HB LYS 8 1HB LYS 8 -5.227 -9.545 -3.138 53 2HB LYS 8 2HB LYS 8 -5.078 -7.865 -2.606 54 1HG LYS 8 1HG LYS 8 -7.346 -8.013 -1.578 55 2HG LYS 8 2HG LYS 8 -7.485 -9.696 -2.149 56 1HD LYS 8 1HD LYS 8 -5.414 -10.254 -0.858 57 2HD LYS 8 2HD LYS 8 -5.340 -8.574 -0.297 58 1HE LYS 8 1HE LYS 8 -7.636 -8.862 0.706 59 2HE LYS 8 2HE LYS 8 -7.571 -10.583 0.274 60 1HZ LYS 8 1HZ LYS 8 -5.556 -10.735 1.700 61 2HZ LYS 8 2HZ LYS 8 -5.711 -9.137 2.088 62 3HZ LYS 8 3HZ LYS 8 -6.844 -10.216 2.566 63 H VAL 9 H VAL 9 -8.898 -7.870 -3.965 64 HA VAL 9 HA VAL 9 -9.172 -4.973 -4.242 65 HB VAL 9 HB VAL 9 -11.102 -7.011 -3.051 66 1HG1 VAL 9 1HG1 VAL 9 -12.808 -5.244 -3.448 67 2HG1 VAL 9 2HG1 VAL 9 -11.608 -4.715 -2.271 68 3HG1 VAL 9 3HG1 VAL 9 -11.525 -4.118 -3.943 69 1HG2 VAL 9 1HG2 VAL 9 -10.666 -7.447 -5.448 70 2HG2 VAL 9 2HG2 VAL 9 -12.295 -6.821 -5.195 71 3HG2 VAL 9 3HG2 VAL 9 -11.027 -5.748 -5.824 72 HA PRO 10 HA PRO 10 -7.125 -4.848 -0.264 73 1HB PRO 10 1HB PRO 10 -6.879 -2.162 0.149 74 2HB PRO 10 2HB PRO 10 -5.916 -3.073 -1.051 75 1HG PRO 10 1HG PRO 10 -8.430 -1.461 -1.552 76 2HG PRO 10 2HG PRO 10 -6.885 -1.423 -2.460 77 1HD PRO 10 1HD PRO 10 -9.012 -2.905 -3.299 78 2HD PRO 10 2HD PRO 10 -7.333 -3.484 -3.500 79 H ARG 11 H ARG 11 -8.216 -5.546 1.440 80 HA ARG 11 HA ARG 11 -10.729 -4.498 2.464 81 1HB ARG 11 1HB ARG 11 -8.550 -6.180 3.791 82 2HB ARG 11 2HB ARG 11 -10.128 -5.822 4.503 83 1HG ARG 11 1HG ARG 11 -11.267 -6.928 2.602 84 2HG ARG 11 2HG ARG 11 -9.696 -7.322 1.876 85 1HD ARG 11 1HD ARG 11 -9.091 -8.667 3.838 86 2HD ARG 11 2HD ARG 11 -10.602 -8.248 4.641 87 HE ARG 11 HE ARG 11 -10.203 -10.183 2.451 88 1HH1 ARG 11 2HH2 ARG 11 -12.674 -8.423 4.209 89 2HH1 ARG 11 1HH2 ARG 11 -13.924 -9.535 3.713 90 1HH2 ARG 11 2HH1 ARG 11 -11.829 -11.530 1.856 91 2HH2 ARG 11 1HH1 ARG 11 -13.449 -11.238 2.418 92 H ARG 12 H ARG 12 -7.345 -3.790 3.191 93 HA ARG 12 HA ARG 12 -8.172 -1.277 4.642 94 1HB ARG 12 1HB ARG 12 -5.859 -3.182 5.097 95 2HB ARG 12 2HB ARG 12 -5.913 -1.554 5.785 96 1HG ARG 12 1HG ARG 12 -7.770 -2.029 7.160 97 2HG ARG 12 2HG ARG 12 -8.208 -3.488 6.273 98 1HD ARG 12 1HD ARG 12 -5.632 -3.201 7.865 99 2HD ARG 12 2HD ARG 12 -7.114 -3.888 8.520 100 HE ARG 12 HE ARG 12 -5.228 -5.201 6.725 101 1HH1 ARG 12 2HH2 ARG 12 -8.589 -5.347 7.731 102 2HH1 ARG 12 1HH2 ARG 12 -8.726 -7.010 7.227 103 1HH2 ARG 12 2HH1 ARG 12 -5.471 -7.217 6.130 104 2HH2 ARG 12 1HH1 ARG 12 -7.005 -8.053 6.307 105 HA PRO 13 HA PRO 13 -6.087 -0.184 0.658 106 1HB PRO 13 1HB PRO 13 -7.282 2.297 0.307 107 2HB PRO 13 2HB PRO 13 -7.948 0.741 -0.245 108 1HG PRO 13 1HG PRO 13 -8.555 2.188 2.358 109 2HG PRO 13 2HG PRO 13 -9.720 1.520 1.162 110 1HD PRO 13 1HD PRO 13 -9.152 0.005 3.263 111 2HD PRO 13 2HD PRO 13 -8.966 -0.722 1.615 112 H VAL 14 H VAL 14 -4.249 0.526 0.574 113 HA VAL 14 HA VAL 14 -3.247 2.830 2.209 114 HB VAL 14 HB VAL 14 -2.897 0.213 3.012 115 1HG1 VAL 14 1HG1 VAL 14 -0.474 -0.300 2.767 116 2HG1 VAL 14 2HG1 VAL 14 -1.432 -0.447 1.294 117 3HG1 VAL 14 3HG1 VAL 14 -0.346 0.950 1.545 118 1HG2 VAL 14 1HG2 VAL 14 -1.219 2.642 3.598 119 2HG2 VAL 14 2HG2 VAL 14 -2.647 2.012 4.473 120 3HG2 VAL 14 3HG2 VAL 14 -1.137 1.113 4.513 121 H LEU 15 H LEU 15 -1.334 3.884 1.400 122 HA LEU 15 HA LEU 15 -0.565 3.238 -1.410 123 1HB LEU 15 1HB LEU 15 -2.407 4.755 -1.480 124 2HB LEU 15 2HB LEU 15 -1.727 5.807 -0.254 125 HG LEU 15 HG LEU 15 -0.170 5.456 -2.817 126 1HD1 LEU 15 1HD1 LEU 15 -2.468 5.806 -3.613 127 2HD1 LEU 15 2HD1 LEU 15 -2.654 7.200 -2.525 128 3HD1 LEU 15 3HD1 LEU 15 -1.498 7.258 -3.876 129 1HD2 LEU 15 1HD2 LEU 15 0.371 7.808 -2.458 130 2HD2 LEU 15 2HD2 LEU 15 -0.785 7.914 -1.116 131 3HD2 LEU 15 3HD2 LEU 15 0.683 6.937 -0.955 132 H SER 16 H SER 16 1.476 4.175 -2.035 133 HA SER 16 HA SER 16 3.080 5.449 0.114 134 1HB SER 16 1HB SER 16 5.011 4.292 -0.306 135 2HB SER 16 2HB SER 16 3.804 3.012 -0.434 136 HG SER 16 HG SER 16 5.369 2.980 -2.090 137 HA PRO 17 HA PRO 17 3.354 8.599 -2.958 138 1HB PRO 17 1HB PRO 17 5.600 10.003 -2.236 139 2HB PRO 17 2HB PRO 17 4.064 10.030 -1.320 140 1HG PRO 17 1HG PRO 17 6.537 8.372 -0.770 141 2HG PRO 17 2HG PRO 17 5.557 9.323 0.387 142 1HD PRO 17 1HD PRO 17 5.224 6.625 0.089 143 2HD PRO 17 2HD PRO 17 3.847 7.713 0.427 144 H LYS 18 H LYS 18 5.609 6.083 -2.815 145 HA LYS 18 HA LYS 18 7.360 6.873 -5.044 146 1HB LYS 18 1HB LYS 18 7.062 4.159 -3.662 147 2HB LYS 18 2HB LYS 18 8.289 4.648 -4.818 148 1HG LYS 18 1HG LYS 18 9.403 4.756 -2.875 149 2HG LYS 18 2HG LYS 18 8.985 6.456 -3.103 150 1HD LYS 18 1HD LYS 18 7.233 6.287 -1.404 151 2HD LYS 18 2HD LYS 18 7.380 4.537 -1.341 152 1HE LYS 18 1HE LYS 18 9.428 6.578 -0.372 153 2HE LYS 18 2HE LYS 18 8.390 5.534 0.611 154 1HZ LYS 18 1HZ LYS 18 10.353 4.328 0.559 155 2HZ LYS 18 2HZ LYS 18 9.573 3.654 -0.692 156 3HZ LYS 18 3HZ LYS 18 10.738 4.785 -0.983 157 H SER 19 H SER 19 4.971 4.224 -4.529 158 HA SER 19 HA SER 19 4.824 3.632 -7.388 159 1HB SER 19 1HB SER 19 3.232 2.592 -5.007 160 2HB SER 19 2HB SER 19 3.167 1.957 -6.658 161 HG SER 19 HG SER 19 5.404 1.982 -4.895 162 H ARG 20 H ARG 20 2.924 5.422 -5.019 163 HA ARG 20 HA ARG 20 1.034 6.621 -5.038 164 1HB ARG 20 1HB ARG 20 2.456 7.557 -7.147 165 2HB ARG 20 2HB ARG 20 1.026 7.020 -8.004 166 1HG ARG 20 1HG ARG 20 0.749 9.337 -7.495 167 2HG ARG 20 2HG ARG 20 -0.375 8.460 -6.465 168 1HD ARG 20 1HD ARG 20 0.701 10.264 -5.207 169 2HD ARG 20 2HD ARG 20 1.175 8.713 -4.543 170 HE ARG 20 HE ARG 20 3.393 9.035 -5.281 171 1HH1 ARG 20 2HH2 ARG 20 1.510 11.689 -6.600 172 2HH1 ARG 20 1HH2 ARG 20 2.956 12.571 -7.013 173 1HH2 ARG 20 2HH1 ARG 20 5.097 10.177 -5.761 174 2HH2 ARG 20 1HH1 ARG 20 4.958 11.731 -6.560 175 H THR 21 H THR 21 0.971 3.643 -6.281 176 HA THR 21 HA THR 21 -1.761 3.316 -7.170 177 HB THR 21 HB THR 21 -1.144 0.916 -6.885 178 HG1 THR 21 1HG THR 21 0.253 1.095 -5.109 179 1HG2 THR 21 1HG2 THR 21 1.202 2.368 -8.157 180 2HG2 THR 21 2HG2 THR 21 0.579 0.756 -8.539 181 3HG2 THR 21 3HG2 THR 21 -0.382 2.188 -8.960 182 H ILE 22 H ILE 22 -3.130 1.583 -5.844 183 HA ILE 22 HA ILE 22 -2.889 2.097 -2.912 184 HB ILE 22 HB ILE 22 -5.462 1.672 -4.415 185 1HG1 ILE 22 1HG1 ILE 22 -6.003 3.971 -3.285 186 2HG1 ILE 22 2HG1 ILE 22 -4.263 4.185 -3.181 187 1HG2 ILE 22 1HG2 ILE 22 -4.912 2.201 -1.465 188 2HG2 ILE 22 2HG2 ILE 22 -6.516 2.022 -2.211 189 3HG2 ILE 22 3HG2 ILE 22 -5.425 0.645 -2.152 190 1HD1 ILE 22 1HD1 ILE 22 -5.815 3.693 -5.773 191 2HD1 ILE 22 2HD1 ILE 22 -5.389 5.293 -5.143 192 3HD1 ILE 22 3HD1 ILE 22 -4.110 4.189 -5.645 193 H PHE 23 H PHE 23 -2.255 0.408 -1.976 194 HA PHE 23 HA PHE 23 -2.976 -2.328 -2.906 195 1HB PHE 23 1HB PHE 23 -0.752 -2.823 -1.442 196 2HB PHE 23 2HB PHE 23 -0.838 -2.747 -3.198 197 HD1 PHE 23 1HD PHE 23 0.760 -1.538 -4.299 198 HD2 PHE 23 2HD PHE 23 -0.076 -0.726 -0.268 199 HE1 PHE 23 1HE PHE 23 2.508 0.227 -4.368 200 HE2 PHE 23 2HE PHE 23 1.548 1.270 -0.306 201 HZ PHE 23 HZ PHE 23 2.855 1.684 -2.373 202 H GLU 24 H GLU 24 -2.678 -3.932 -0.965 203 HA GLU 24 HA GLU 24 -4.538 -2.889 1.041 204 1HB GLU 24 1HB GLU 24 -4.596 -5.252 0.077 205 2HB GLU 24 2HB GLU 24 -3.205 -5.575 1.133 206 1HG GLU 24 1HG GLU 24 -4.502 -5.072 3.114 207 2HG GLU 24 2HG GLU 24 -5.838 -4.446 2.145 208 H LYS 25 H LYS 25 -3.939 -2.464 3.243 209 HA LYS 25 HA LYS 25 -1.332 -1.683 4.040 210 1HB LYS 25 1HB LYS 25 -3.412 -0.997 5.158 211 2HB LYS 25 2HB LYS 25 -3.634 -2.651 5.763 212 1HG LYS 25 1HG LYS 25 -1.575 -2.528 7.054 213 2HG LYS 25 2HG LYS 25 -1.160 -0.961 6.331 214 1HD LYS 25 1HD LYS 25 -3.077 0.096 7.411 215 2HD LYS 25 2HD LYS 25 -3.618 -1.468 8.066 216 1HE LYS 25 1HE LYS 25 -1.582 -1.677 9.400 217 2HE LYS 25 2HE LYS 25 -0.897 -0.225 8.652 218 1HZ LYS 25 1HZ LYS 25 -1.864 0.260 10.834 219 2HZ LYS 25 2HZ LYS 25 -2.621 1.094 9.647 220 3HZ LYS 25 3HZ LYS 25 -3.347 -0.215 10.330 221 H SER 26 H SER 26 -3.122 -4.714 4.448 222 HA SER 26 HA SER 26 -1.083 -6.035 5.879 223 1HB SER 26 1HB SER 26 -3.315 -7.282 4.251 224 2HB SER 26 2HB SER 26 -2.384 -8.090 5.524 225 HG SER 26 HG SER 26 -3.175 -6.572 7.016 226 H LEU 27 H LEU 27 -1.734 -6.104 2.306 227 HA LEU 27 HA LEU 27 0.258 -8.142 1.812 228 1HB LEU 27 1HB LEU 27 -1.003 -6.163 -0.130 229 2HB LEU 27 2HB LEU 27 -0.039 -7.571 -0.512 230 HG LEU 27 HG LEU 27 -2.917 -7.393 0.117 231 1HD1 LEU 27 1HD1 LEU 27 -1.252 -9.341 -1.443 232 2HD1 LEU 27 2HD1 LEU 27 -3.029 -9.188 -1.468 233 3HD1 LEU 27 3HD1 LEU 27 -2.014 -7.871 -2.083 234 1HD2 LEU 27 1HD2 LEU 27 -1.299 -9.829 1.003 235 2HD2 LEU 27 2HD2 LEU 27 -2.314 -8.798 2.048 236 3HD2 LEU 27 3HD2 LEU 27 -3.065 -9.783 0.806 237 H LEU 28 H LEU 28 0.231 -4.575 1.701 238 HA LEU 28 HA LEU 28 2.893 -4.281 0.604 239 1HB LEU 28 1HB LEU 28 1.292 -2.406 0.684 240 2HB LEU 28 2HB LEU 28 1.379 -2.417 2.447 241 HG LEU 28 HG LEU 28 3.952 -2.054 2.174 242 1HD1 LEU 28 1HD1 LEU 28 4.602 -0.902 0.062 243 2HD1 LEU 28 2HD1 LEU 28 4.247 -2.610 -0.166 244 3HD1 LEU 28 3HD1 LEU 28 3.060 -1.376 -0.653 245 1HD2 LEU 28 1HD2 LEU 28 3.610 0.380 1.841 246 2HD2 LEU 28 2HD2 LEU 28 1.922 0.027 1.418 247 3HD2 LEU 28 3HD2 LEU 28 2.531 -0.384 3.023 248 H GLU 29 H GLU 29 1.551 -4.422 3.954 249 HA GLU 29 HA GLU 29 4.010 -4.063 5.362 250 1HB GLU 29 1HB GLU 29 1.722 -4.024 6.407 251 2HB GLU 29 2HB GLU 29 1.670 -5.788 6.252 252 1HG GLU 29 1HG GLU 29 3.973 -5.627 7.603 253 2HG GLU 29 2HG GLU 29 3.371 -4.037 8.041 254 H GLN 30 H GLN 30 2.491 -7.039 4.111 255 HA GLN 30 HA GLN 30 4.408 -8.919 5.076 256 1HB GLN 30 1HB GLN 30 2.155 -9.373 4.011 257 2HB GLN 30 2HB GLN 30 2.888 -9.078 2.441 258 1HG GLN 30 1HG GLN 30 4.505 -10.929 2.843 259 2HG GLN 30 2HG GLN 30 3.768 -11.218 4.425 260 1HE2 GLN 30 1HE2 GLN 30 3.162 -11.362 0.877 261 2HE2 GLN 30 2HE2 GLN 30 1.824 -12.495 1.037 262 H TYR 31 H TYR 31 4.309 -7.118 2.024 263 HA TYR 31 HA TYR 31 6.653 -8.335 0.833 264 1HB TYR 31 1HB TYR 31 4.751 -7.327 -0.391 265 2HB TYR 31 2HB TYR 31 5.177 -5.743 0.232 266 HD1 TYR 31 1HD TYR 31 6.827 -8.592 -1.568 267 HD2 TYR 31 2HD TYR 31 6.363 -4.332 -1.227 268 HE1 TYR 31 1HE TYR 31 8.128 -8.247 -3.720 269 HE2 TYR 31 2HE TYR 31 7.809 -4.035 -3.225 270 HH TYR 31 HH TYR 31 9.077 -6.760 -5.130 271 H VAL 32 H VAL 32 6.073 -5.421 2.679 272 HA VAL 32 HA VAL 32 8.812 -4.534 2.377 273 HB VAL 32 HB VAL 32 6.339 -3.273 3.485 274 1HG1 VAL 32 1HG1 VAL 32 8.957 -1.814 3.469 275 2HG1 VAL 32 2HG1 VAL 32 7.342 -1.174 3.787 276 3HG1 VAL 32 3HG1 VAL 32 8.051 -2.318 4.912 277 1HG2 VAL 32 1HG2 VAL 32 6.792 -3.563 0.986 278 2HG2 VAL 32 2HG2 VAL 32 6.276 -2.015 1.589 279 3HG2 VAL 32 3HG2 VAL 32 7.984 -2.284 1.208 280 H LYS 33 H LYS 33 7.297 -6.530 4.602 281 HA LYS 33 HA LYS 33 9.565 -6.197 6.550 282 1HB LYS 33 1HB LYS 33 8.429 -7.298 8.198 283 2HB LYS 33 2HB LYS 33 7.235 -6.243 7.456 284 1HG LYS 33 1HG LYS 33 6.411 -8.315 6.170 285 2HG LYS 33 2HG LYS 33 7.484 -9.277 7.191 286 1HD LYS 33 1HD LYS 33 6.343 -8.451 9.217 287 2HD LYS 33 2HD LYS 33 5.324 -7.385 8.232 288 1HE LYS 33 1HE LYS 33 4.386 -9.399 7.075 289 2HE LYS 33 2HE LYS 33 5.332 -10.429 8.162 290 1HZ LYS 33 1HZ LYS 33 3.058 -10.101 8.981 291 2HZ LYS 33 2HZ LYS 33 4.112 -9.431 10.032 292 3HZ LYS 33 3HZ LYS 33 3.244 -8.478 9.025 293 H ASP 34 H ASP 34 8.646 -7.953 3.882 294 HA ASP 34 HA ASP 34 10.394 -10.282 4.196 295 1HB ASP 34 1HB ASP 34 8.486 -9.229 2.239 296 2HB ASP 34 2HB ASP 34 9.955 -9.609 1.424 297 H THR 35 H THR 35 10.506 -7.418 2.066 298 HA THR 35 HA THR 35 13.504 -7.323 2.265 299 HB THR 35 HB THR 35 13.733 -6.837 -0.035 300 HG1 THR 35 1HG THR 35 10.942 -7.218 -0.331 301 1HG2 THR 35 1HG2 THR 35 11.913 -9.260 0.134 302 2HG2 THR 35 2HG2 THR 35 13.093 -8.887 -1.136 303 3HG2 THR 35 3HG2 THR 35 13.648 -9.248 0.509 304 H GLY 36 H GLY 36 10.525 -5.481 2.357 305 1HA GLY 36 1HA GLY 36 10.397 -3.332 3.215 306 2HA GLY 36 2HA GLY 36 12.105 -3.070 2.970 307 H ASN 37 H ASN 37 11.564 -4.210 0.094 308 HA ASN 37 HA ASN 37 11.664 -1.615 -1.066 309 1HB ASN 37 1HB ASN 37 11.234 -4.356 -2.334 310 2HB ASN 37 2HB ASN 37 11.667 -2.901 -3.219 311 1HD2 ASN 37 2HD2 ASN 37 12.976 -5.617 -1.796 312 2HD2 ASN 37 1HD2 ASN 37 14.626 -5.003 -1.645 313 H ASP 38 H ASP 38 10.234 -0.366 -2.319 314 HA ASP 38 HA ASP 38 7.398 -0.756 -2.111 315 1HB ASP 38 1HB ASP 38 9.180 1.091 -3.704 316 2HB ASP 38 2HB ASP 38 7.447 1.016 -4.035 317 HA PRO 39 HA PRO 39 6.761 -3.921 -5.111 318 1HB PRO 39 1HB PRO 39 4.277 -2.439 -5.960 319 2HB PRO 39 2HB PRO 39 4.468 -4.157 -5.484 320 1HG PRO 39 1HG PRO 39 3.417 -2.373 -3.756 321 2HG PRO 39 2HG PRO 39 4.637 -3.560 -3.179 322 1HD PRO 39 1HD PRO 39 5.040 -0.657 -3.888 323 2HD PRO 39 2HD PRO 39 5.635 -1.601 -2.489 324 H ILE 40 H ILE 40 7.162 -0.748 -6.394 325 HA ILE 40 HA ILE 40 7.143 -1.744 -9.241 326 HB ILE 40 HB ILE 40 5.748 0.666 -8.073 327 1HG1 ILE 40 1HG1 ILE 40 4.629 -1.238 -10.154 328 2HG1 ILE 40 2HG1 ILE 40 4.700 -1.772 -8.481 329 1HG2 ILE 40 1HG2 ILE 40 6.931 1.584 -9.999 330 2HG2 ILE 40 2HG2 ILE 40 6.423 0.213 -11.012 331 3HG2 ILE 40 3HG2 ILE 40 5.234 1.390 -10.420 332 1HD1 ILE 40 1HD1 ILE 40 3.299 0.786 -9.327 333 2HD1 ILE 40 2HD1 ILE 40 2.519 -0.785 -9.044 334 3HD1 ILE 40 3HD1 ILE 40 3.344 0.036 -7.709 335 H THR 41 H THR 41 8.407 0.765 -6.984 336 HA THR 41 HA THR 41 10.494 1.535 -8.926 337 HB THR 41 HB THR 41 11.214 3.009 -6.920 338 HG1 THR 41 1HG THR 41 8.506 2.570 -6.370 339 1HG2 THR 41 1HG2 THR 41 10.177 3.923 -8.960 340 2HG2 THR 41 2HG2 THR 41 8.560 3.491 -8.359 341 3HG2 THR 41 3HG2 THR 41 9.532 4.716 -7.513 342 H ASN 42 H ASN 42 10.003 -0.754 -6.384 343 HA ASN 42 HA ASN 42 11.167 -1.730 -4.858 344 1HB ASN 42 1HB ASN 42 12.692 -3.302 -5.664 345 2HB ASN 42 2HB ASN 42 11.427 -3.091 -6.849 346 1HD2 ASN 42 2HD2 ASN 42 14.743 -1.869 -6.161 347 2HD2 ASN 42 1HD2 ASN 42 15.244 -1.886 -7.858 348 H GLU 43 H GLU 43 11.602 0.958 -4.694 349 HA GLU 43 HA GLU 43 14.422 1.111 -3.654 350 1HB GLU 43 1HB GLU 43 13.988 3.358 -2.939 351 2HB GLU 43 2HB GLU 43 13.661 3.153 -4.655 352 1HG GLU 43 1HG GLU 43 11.294 3.298 -4.315 353 2HG GLU 43 2HG GLU 43 11.453 3.102 -2.568 354 HA PRO 44 HA PRO 44 13.357 -0.734 0.084 355 1HB PRO 44 1HB PRO 44 15.237 0.136 1.881 356 2HB PRO 44 2HB PRO 44 15.591 -0.928 0.487 357 1HG PRO 44 1HG PRO 44 15.897 2.088 0.646 358 2HG PRO 44 2HG PRO 44 17.095 0.886 0.069 359 1HD PRO 44 1HD PRO 44 15.522 2.238 -1.666 360 2HD PRO 44 2HD PRO 44 15.890 0.509 -1.935 361 H LEU 45 H LEU 45 12.000 -0.631 1.652 362 HA LEU 45 HA LEU 45 10.694 -0.150 3.349 363 1HB LEU 45 1HB LEU 45 12.460 2.248 3.818 364 2HB LEU 45 2HB LEU 45 11.078 1.862 4.831 365 HG LEU 45 HG LEU 45 13.298 -0.166 4.332 366 1HD1 LEU 45 1HD1 LEU 45 13.039 1.826 6.623 367 2HD1 LEU 45 2HD1 LEU 45 14.238 0.519 6.499 368 3HD1 LEU 45 3HD1 LEU 45 14.275 1.861 5.348 369 1HD2 LEU 45 1HD2 LEU 45 11.186 0.099 6.520 370 2HD2 LEU 45 2HD2 LEU 45 11.211 -1.122 5.227 371 3HD2 LEU 45 3HD2 LEU 45 12.470 -1.128 6.461 372 H SER 46 H SER 46 8.725 0.509 3.607 373 HA SER 46 HA SER 46 7.593 2.523 1.751 374 1HB SER 46 1HB SER 46 7.424 0.109 0.928 375 2HB SER 46 2HB SER 46 6.151 -0.017 2.146 376 HG SER 46 HG SER 46 6.220 1.563 -0.186 377 H ILE 47 H ILE 47 6.617 0.278 4.280 378 HA ILE 47 HA ILE 47 4.603 1.745 5.382 379 HB ILE 47 HB ILE 47 5.193 -0.699 5.743 380 1HG1 ILE 47 1HG1 ILE 47 4.353 -0.855 8.113 381 2HG1 ILE 47 2HG1 ILE 47 4.365 0.907 8.188 382 1HG2 ILE 47 1HG2 ILE 47 7.564 -0.334 6.459 383 2HG2 ILE 47 2HG2 ILE 47 6.965 0.310 8.003 384 3HG2 ILE 47 3HG2 ILE 47 6.636 -1.370 7.548 385 1HD1 ILE 47 1HD1 ILE 47 2.125 -0.013 7.621 386 2HD1 ILE 47 2HD1 ILE 47 2.751 0.978 6.292 387 3HD1 ILE 47 3HD1 ILE 47 2.804 -0.792 6.172 388 H GLU 48 H GLU 48 7.936 2.214 6.011 389 HA GLU 48 HA GLU 48 7.675 4.064 8.244 390 1HB GLU 48 1HB GLU 48 9.921 3.564 6.253 391 2HB GLU 48 2HB GLU 48 10.050 4.638 7.646 392 1HG GLU 48 1HG GLU 48 9.524 1.635 7.790 393 2HG GLU 48 2HG GLU 48 11.075 2.418 8.033 394 H GLU 49 H GLU 49 6.801 4.233 5.022 395 HA GLU 49 HA GLU 49 6.820 7.237 4.987 396 1HB GLU 49 1HB GLU 49 7.394 5.367 2.650 397 2HB GLU 49 2HB GLU 49 7.240 7.110 2.524 398 1HG GLU 49 1HG GLU 49 9.410 5.600 4.038 399 2HG GLU 49 2HG GLU 49 9.577 6.387 2.479 400 H ILE 50 H ILE 50 4.880 4.829 5.451 401 HA ILE 50 HA ILE 50 3.043 4.659 3.460 402 HB ILE 50 HB ILE 50 3.378 3.266 5.519 403 1HG1 ILE 50 1HG1 ILE 50 1.027 2.457 5.683 404 2HG1 ILE 50 2HG1 ILE 50 0.520 3.793 4.657 405 1HG2 ILE 50 1HG2 ILE 50 2.085 3.620 7.519 406 2HG2 ILE 50 2HG2 ILE 50 3.083 5.049 7.228 407 3HG2 ILE 50 3HG2 ILE 50 1.348 5.089 6.850 408 1HD1 ILE 50 1HD1 ILE 50 0.984 1.578 3.476 409 2HD1 ILE 50 2HD1 ILE 50 1.880 2.947 2.806 410 3HD1 ILE 50 3HD1 ILE 50 2.691 1.791 3.880 411 H VAL 51 H VAL 51 1.187 5.347 2.910 412 HA VAL 51 HA VAL 51 -0.169 7.692 4.212 413 HB VAL 51 HB VAL 51 -0.166 7.108 1.231 414 1HG1 VAL 51 1HG1 VAL 51 -1.271 9.452 2.842 415 2HG1 VAL 51 2HG1 VAL 51 -1.275 9.311 1.071 416 3HG1 VAL 51 3HG1 VAL 51 -2.239 8.195 2.037 417 1HG2 VAL 51 1HG2 VAL 51 1.270 9.304 2.779 418 2HG2 VAL 51 2HG2 VAL 51 2.041 7.976 1.888 419 3HG2 VAL 51 3HG2 VAL 51 1.131 9.204 1.006 420 H GLU 52 H GLU 52 -1.524 6.416 5.478 421 HA GLU 52 HA GLU 52 -2.897 4.116 4.324 422 1HB GLU 52 1HB GLU 52 -3.541 5.339 7.009 423 2HB GLU 52 2HB GLU 52 -3.838 3.688 6.419 424 1HG GLU 52 1HG GLU 52 -1.464 3.184 6.457 425 2HG GLU 52 2HG GLU 52 -1.068 4.844 6.912 426 H ILE 53 H ILE 53 -4.552 4.245 3.000 427 HA ILE 53 HA ILE 53 -6.230 6.646 2.805 428 HB ILE 53 HB ILE 53 -6.273 4.058 1.223 429 1HG1 ILE 53 1HG1 ILE 53 -4.078 5.016 0.935 430 2HG1 ILE 53 2HG1 ILE 53 -5.012 5.190 -0.529 431 1HG2 ILE 53 1HG2 ILE 53 -7.336 5.451 -0.574 432 2HG2 ILE 53 2HG2 ILE 53 -8.351 5.178 0.840 433 3HG2 ILE 53 3HG2 ILE 53 -7.548 6.745 0.626 434 1HD1 ILE 53 1HD1 ILE 53 -5.422 7.586 -0.009 435 2HD1 ILE 53 2HD1 ILE 53 -4.487 7.417 1.495 436 3HD1 ILE 53 3HD1 ILE 53 -3.694 7.211 -0.074 437 H VAL 54 H VAL 54 -6.411 3.635 4.396 438 HA VAL 54 HA VAL 54 -8.919 2.760 4.638 439 HB VAL 54 HB VAL 54 -7.208 3.244 7.098 440 1HG1 VAL 54 1HG1 VAL 54 -8.323 1.173 7.906 441 2HG1 VAL 54 2HG1 VAL 54 -9.494 2.456 7.635 442 3HG1 VAL 54 3HG1 VAL 54 -9.332 1.140 6.446 443 1HG2 VAL 54 1HG2 VAL 54 -7.150 0.991 5.056 444 2HG2 VAL 54 2HG2 VAL 54 -5.824 2.104 5.462 445 3HG2 VAL 54 3HG2 VAL 54 -6.363 0.924 6.649 446 HA PRO 55 HA PRO 55 -11.049 6.574 5.725 447 1HB PRO 55 1HB PRO 55 -13.638 5.849 5.248 448 2HB PRO 55 2HB PRO 55 -12.434 6.096 3.947 449 1HG PRO 55 1HG PRO 55 -13.253 3.474 5.240 450 2HG PRO 55 2HG PRO 55 -13.165 3.860 3.489 451 1HD PRO 55 1HD PRO 55 -11.131 2.599 4.777 452 2HD PRO 55 2HD PRO 55 -10.806 3.815 3.503 453 H SER 56 H SER 56 -11.462 3.608 7.447 454 HA SER 56 HA SER 56 -13.366 4.324 9.450 455 1HB SER 56 1HB SER 56 -12.584 2.014 8.993 456 2HB SER 56 2HB SER 56 -10.995 2.423 9.669 457 HG SER 56 HG SER 56 -12.414 1.420 11.203 Start of MODEL 17 1 H MET 1 H MET 1 -6.560 2.173 -8.770 2 HA MET 1 HA MET 1 -6.851 1.785 -6.480 3 1HB MET 1 1HB MET 1 -9.528 0.905 -7.626 4 2HB MET 1 2HB MET 1 -9.238 1.340 -5.936 5 1HG MET 1 1HG MET 1 -8.462 3.596 -6.678 6 2HG MET 1 2HG MET 1 -8.940 3.195 -8.326 7 1HE MET 1 1HE MET 1 -11.388 2.946 -9.175 8 2HE MET 1 2HE MET 1 -11.733 1.642 -8.013 9 3HE MET 1 3HE MET 1 -12.833 3.029 -8.146 10 H LEU 2 H LEU 2 -6.490 -0.882 -8.342 11 HA LEU 2 HA LEU 2 -6.817 -2.831 -6.100 12 1HB LEU 2 1HB LEU 2 -6.910 -4.582 -7.612 13 2HB LEU 2 2HB LEU 2 -7.932 -3.343 -8.318 14 HG LEU 2 HG LEU 2 -5.089 -4.059 -9.200 15 1HD1 LEU 2 1HD1 LEU 2 -6.787 -5.781 -9.713 16 2HD1 LEU 2 2HD1 LEU 2 -7.785 -4.560 -10.527 17 3HD1 LEU 2 3HD1 LEU 2 -6.189 -4.996 -11.182 18 1HD2 LEU 2 1HD2 LEU 2 -5.629 -2.687 -11.231 19 2HD2 LEU 2 2HD2 LEU 2 -7.093 -2.101 -10.414 20 3HD2 LEU 2 3HD2 LEU 2 -5.471 -1.718 -9.770 21 H CYS 3 H CYS 3 -5.231 -4.165 -5.355 22 HA CYS 3 HA CYS 3 -2.942 -2.808 -4.926 23 1HB CYS 3 1HB CYS 3 -3.247 -5.795 -4.405 24 2HB CYS 3 2HB CYS 3 -2.456 -4.617 -3.448 25 HG CYS 3 HG CYS 3 -4.689 -5.923 -2.652 26 H ALA 4 H ALA 4 -0.856 -2.826 -5.356 27 HA ALA 4 HA ALA 4 -0.053 -3.876 -7.983 28 1HB ALA 4 1HB ALA 4 1.857 -2.734 -5.943 29 2HB ALA 4 2HB ALA 4 2.002 -2.786 -7.695 30 3HB ALA 4 3HB ALA 4 0.800 -1.707 -6.962 31 H ILE 5 H ILE 5 -0.140 -5.186 -4.833 32 HA ILE 5 HA ILE 5 2.116 -7.052 -5.252 33 HB ILE 5 HB ILE 5 0.543 -6.173 -2.803 34 1HG1 ILE 5 1HG1 ILE 5 3.492 -5.878 -3.536 35 2HG1 ILE 5 2HG1 ILE 5 2.283 -4.641 -3.881 36 1HG2 ILE 5 1HG2 ILE 5 2.819 -8.240 -3.129 37 2HG2 ILE 5 2HG2 ILE 5 2.268 -7.622 -1.566 38 3HG2 ILE 5 3HG2 ILE 5 1.175 -8.591 -2.561 39 1HD1 ILE 5 1HD1 ILE 5 1.762 -4.450 -1.465 40 2HD1 ILE 5 2HD1 ILE 5 3.091 -5.586 -1.121 41 3HD1 ILE 5 3HD1 ILE 5 3.437 -4.028 -1.879 42 H SER 6 H SER 6 -1.328 -7.331 -4.211 43 HA SER 6 HA SER 6 -1.328 -10.065 -5.415 44 1HB SER 6 1HB SER 6 -2.999 -9.294 -3.041 45 2HB SER 6 2HB SER 6 -2.945 -10.858 -3.858 46 HG SER 6 HG SER 6 -1.566 -10.972 -2.119 47 H GLY 7 H GLY 7 -2.860 -7.037 -5.628 48 1HA GLY 7 1HA GLY 7 -4.152 -6.334 -7.488 49 2HA GLY 7 2HA GLY 7 -4.107 -8.018 -7.999 50 H LYS 8 H LYS 8 -5.126 -7.567 -4.899 51 HA LYS 8 HA LYS 8 -7.804 -8.646 -5.506 52 1HB LYS 8 1HB LYS 8 -7.668 -9.566 -3.353 53 2HB LYS 8 2HB LYS 8 -5.985 -9.558 -3.961 54 1HG LYS 8 1HG LYS 8 -5.428 -7.620 -2.654 55 2HG LYS 8 2HG LYS 8 -7.073 -7.452 -2.047 56 1HD LYS 8 1HD LYS 8 -5.275 -9.871 -1.582 57 2HD LYS 8 2HD LYS 8 -5.468 -8.540 -0.451 58 1HE LYS 8 1HE LYS 8 -7.728 -10.382 -1.361 59 2HE LYS 8 2HE LYS 8 -6.813 -10.538 0.140 60 1HZ LYS 8 1HZ LYS 8 -7.573 -8.245 0.702 61 2HZ LYS 8 2HZ LYS 8 -8.576 -8.251 -0.565 62 3HZ LYS 8 3HZ LYS 8 -8.807 -9.343 0.633 63 H VAL 9 H VAL 9 -9.581 -8.098 -3.897 64 HA VAL 9 HA VAL 9 -10.184 -5.227 -3.925 65 HB VAL 9 HB VAL 9 -11.993 -6.728 -4.280 66 1HG1 VAL 9 1HG1 VAL 9 -11.734 -7.815 -1.450 67 2HG1 VAL 9 2HG1 VAL 9 -12.968 -8.209 -2.653 68 3HG1 VAL 9 3HG1 VAL 9 -11.296 -8.709 -2.925 69 1HG2 VAL 9 1HG2 VAL 9 -13.607 -5.806 -2.727 70 2HG2 VAL 9 2HG2 VAL 9 -12.324 -5.366 -1.580 71 3HG2 VAL 9 3HG2 VAL 9 -12.422 -4.568 -3.168 72 HA PRO 10 HA PRO 10 -7.576 -5.036 -0.354 73 1HB PRO 10 1HB PRO 10 -7.458 -2.347 0.139 74 2HB PRO 10 2HB PRO 10 -6.693 -3.120 -1.279 75 1HG PRO 10 1HG PRO 10 -9.394 -1.738 -1.158 76 2HG PRO 10 2HG PRO 10 -8.075 -1.508 -2.354 77 1HD PRO 10 1HD PRO 10 -10.196 -3.162 -2.833 78 2HD PRO 10 2HD PRO 10 -8.551 -3.551 -3.415 79 H ARG 11 H ARG 11 -8.014 -5.653 1.609 80 HA ARG 11 HA ARG 11 -10.355 -5.177 3.214 81 1HB ARG 11 1HB ARG 11 -7.492 -5.907 3.986 82 2HB ARG 11 2HB ARG 11 -8.843 -5.887 5.121 83 1HG ARG 11 1HG ARG 11 -9.995 -7.656 3.942 84 2HG ARG 11 2HG ARG 11 -8.810 -7.634 2.628 85 1HD ARG 11 1HD ARG 11 -7.016 -8.239 4.276 86 2HD ARG 11 2HD ARG 11 -8.243 -8.331 5.536 87 HE ARG 11 HE ARG 11 -9.219 -10.254 4.470 88 1HH1 ARG 11 2HH1 ARG 11 -6.116 -9.444 2.919 89 2HH1 ARG 11 1HH1 ARG 11 -5.880 -11.114 2.491 90 1HH2 ARG 11 2HH2 ARG 11 -8.846 -12.275 3.746 91 2HH2 ARG 11 1HH2 ARG 11 -7.395 -12.636 2.857 92 H ARG 12 H ARG 12 -7.170 -3.651 3.351 93 HA ARG 12 HA ARG 12 -8.423 -1.062 4.208 94 1HB ARG 12 1HB ARG 12 -5.960 -2.276 5.475 95 2HB ARG 12 2HB ARG 12 -6.427 -0.574 5.605 96 1HG ARG 12 1HG ARG 12 -8.651 -1.355 6.571 97 2HG ARG 12 2HG ARG 12 -7.976 -2.991 6.603 98 1HD ARG 12 1HD ARG 12 -7.686 -2.092 8.788 99 2HD ARG 12 2HD ARG 12 -6.095 -2.119 8.045 100 HE ARG 12 HE ARG 12 -7.847 0.310 8.382 101 1HH1 ARG 12 2HH2 ARG 12 -4.569 -0.900 8.207 102 2HH1 ARG 12 1HH2 ARG 12 -3.884 0.703 8.437 103 1HH2 ARG 12 2HH1 ARG 12 -6.914 2.266 8.763 104 2HH2 ARG 12 1HH1 ARG 12 -5.167 2.396 8.803 105 HA PRO 13 HA PRO 13 -6.013 -0.288 0.409 106 1HB PRO 13 1HB PRO 13 -7.167 2.195 -0.145 107 2HB PRO 13 2HB PRO 13 -7.758 0.603 -0.703 108 1HG PRO 13 1HG PRO 13 -8.642 2.158 1.752 109 2HG PRO 13 2HG PRO 13 -9.664 1.373 0.499 110 1HD PRO 13 1HD PRO 13 -9.247 0.060 2.752 111 2HD PRO 13 2HD PRO 13 -8.946 -0.807 1.197 112 H VAL 14 H VAL 14 -4.227 0.486 0.345 113 HA VAL 14 HA VAL 14 -3.115 2.703 2.047 114 HB VAL 14 HB VAL 14 -2.501 -0.253 1.970 115 1HG1 VAL 14 1HG1 VAL 14 -0.326 0.604 1.351 116 2HG1 VAL 14 2HG1 VAL 14 -0.384 1.789 2.670 117 3HG1 VAL 14 3HG1 VAL 14 -0.329 0.033 3.011 118 1HG2 VAL 14 1HG2 VAL 14 -2.467 1.863 4.154 119 2HG2 VAL 14 2HG2 VAL 14 -3.785 0.711 3.839 120 3HG2 VAL 14 3HG2 VAL 14 -2.208 0.144 4.398 121 H LEU 15 H LEU 15 -1.341 3.793 1.239 122 HA LEU 15 HA LEU 15 -0.445 3.210 -1.550 123 1HB LEU 15 1HB LEU 15 -2.255 4.778 -1.598 124 2HB LEU 15 2HB LEU 15 -1.567 5.769 -0.330 125 HG LEU 15 HG LEU 15 0.030 5.451 -2.869 126 1HD1 LEU 15 1HD1 LEU 15 -2.425 7.242 -2.583 127 2HD1 LEU 15 2HD1 LEU 15 -1.241 7.306 -3.908 128 3HD1 LEU 15 3HD1 LEU 15 -2.246 5.870 -3.696 129 1HD2 LEU 15 1HD2 LEU 15 0.859 6.867 -0.926 130 2HD2 LEU 15 2HD2 LEU 15 0.632 7.772 -2.422 131 3HD2 LEU 15 3HD2 LEU 15 -0.572 7.885 -1.123 132 H SER 16 H SER 16 1.616 4.244 -2.073 133 HA SER 16 HA SER 16 3.196 5.277 0.213 134 1HB SER 16 1HB SER 16 5.023 3.960 -0.117 135 2HB SER 16 2HB SER 16 3.741 2.810 -0.456 136 HG SER 16 HG SER 16 5.455 2.809 -1.989 137 HA PRO 17 HA PRO 17 3.945 8.608 -2.511 138 1HB PRO 17 1HB PRO 17 6.285 9.697 -1.617 139 2HB PRO 17 2HB PRO 17 4.771 9.710 -0.667 140 1HG PRO 17 1HG PRO 17 7.069 7.732 -0.472 141 2HG PRO 17 2HG PRO 17 6.273 8.645 0.854 142 1HD PRO 17 1HD PRO 17 5.564 6.087 0.266 143 2HD PRO 17 2HD PRO 17 4.331 7.300 0.735 144 H LYS 18 H LYS 18 5.792 5.850 -2.767 145 HA LYS 18 HA LYS 18 7.622 6.739 -4.957 146 1HB LYS 18 1HB LYS 18 7.152 4.121 -3.478 147 2HB LYS 18 2HB LYS 18 7.958 4.152 -5.042 148 1HG LYS 18 1HG LYS 18 9.603 4.102 -3.383 149 2HG LYS 18 2HG LYS 18 9.696 5.661 -4.190 150 1HD LYS 18 1HD LYS 18 8.835 6.817 -2.305 151 2HD LYS 18 2HD LYS 18 8.224 5.340 -1.532 152 1HE LYS 18 1HE LYS 18 11.179 5.587 -2.143 153 2HE LYS 18 2HE LYS 18 10.520 6.456 -0.745 154 1HZ LYS 18 1HZ LYS 18 10.006 4.566 0.326 155 2HZ LYS 18 2HZ LYS 18 9.865 3.606 -1.001 156 3HZ LYS 18 3HZ LYS 18 11.342 4.045 -0.411 157 H SER 19 H SER 19 5.291 4.034 -4.713 158 HA SER 19 HA SER 19 4.968 3.872 -7.534 159 1HB SER 19 1HB SER 19 3.357 2.622 -5.274 160 2HB SER 19 2HB SER 19 3.392 2.089 -6.966 161 HG SER 19 HG SER 19 4.833 0.923 -5.535 162 H ARG 20 H ARG 20 3.095 5.495 -5.045 163 HA ARG 20 HA ARG 20 1.094 6.577 -4.937 164 1HB ARG 20 1HB ARG 20 1.452 7.154 -7.898 165 2HB ARG 20 2HB ARG 20 0.439 8.042 -6.769 166 1HG ARG 20 1HG ARG 20 3.483 7.900 -6.660 167 2HG ARG 20 2HG ARG 20 2.527 9.230 -7.309 168 1HD ARG 20 1HD ARG 20 1.515 9.630 -5.091 169 2HD ARG 20 2HD ARG 20 2.439 8.281 -4.418 170 HE ARG 20 HE ARG 20 4.520 9.483 -4.883 171 1HH1 ARG 20 2HH2 ARG 20 1.708 11.585 -4.926 172 2HH1 ARG 20 1HH2 ARG 20 2.679 12.986 -4.555 173 1HH2 ARG 20 2HH1 ARG 20 5.645 11.245 -4.435 174 2HH2 ARG 20 1HH1 ARG 20 4.857 12.799 -4.302 175 H THR 21 H THR 21 1.167 3.676 -6.285 176 HA THR 21 HA THR 21 -1.522 3.276 -7.277 177 HB THR 21 HB THR 21 -0.845 0.875 -6.906 178 HG1 THR 21 1HG THR 21 0.583 1.131 -5.178 179 1HG2 THR 21 1HG2 THR 21 -0.225 2.104 -9.032 180 2HG2 THR 21 2HG2 THR 21 1.371 2.424 -8.298 181 3HG2 THR 21 3HG2 THR 21 0.849 0.759 -8.602 182 H ILE 22 H ILE 22 -2.936 1.562 -6.009 183 HA ILE 22 HA ILE 22 -2.755 2.036 -3.068 184 HB ILE 22 HB ILE 22 -5.288 1.787 -4.669 185 1HG1 ILE 22 1HG1 ILE 22 -4.186 4.188 -3.120 186 2HG1 ILE 22 2HG1 ILE 22 -4.196 4.046 -4.878 187 1HG2 ILE 22 1HG2 ILE 22 -4.862 2.224 -1.679 188 2HG2 ILE 22 2HG2 ILE 22 -6.430 2.110 -2.511 189 3HG2 ILE 22 3HG2 ILE 22 -5.397 0.699 -2.420 190 1HD1 ILE 22 1HD1 ILE 22 -6.641 4.275 -3.095 191 2HD1 ILE 22 2HD1 ILE 22 -6.020 5.450 -4.261 192 3HD1 ILE 22 3HD1 ILE 22 -6.696 3.914 -4.839 193 H PHE 23 H PHE 23 -2.229 0.303 -2.146 194 HA PHE 23 HA PHE 23 -3.120 -2.374 -3.062 195 1HB PHE 23 1HB PHE 23 -0.896 -3.043 -1.628 196 2HB PHE 23 2HB PHE 23 -0.938 -2.910 -3.371 197 HD1 PHE 23 1HD PHE 23 0.901 -1.848 -4.279 198 HD2 PHE 23 2HD PHE 23 -0.478 -0.703 -0.443 199 HE1 PHE 23 1HE PHE 23 2.553 -0.008 -4.311 200 HE2 PHE 23 2HE PHE 23 1.138 1.271 -0.448 201 HZ PHE 23 HZ PHE 23 2.662 1.582 -2.381 202 H GLU 24 H GLU 24 -2.899 -3.999 -1.283 203 HA GLU 24 HA GLU 24 -4.580 -2.910 0.843 204 1HB GLU 24 1HB GLU 24 -5.553 -4.762 0.207 205 2HB GLU 24 2HB GLU 24 -4.109 -5.660 -0.088 206 1HG GLU 24 1HG GLU 24 -3.762 -5.920 2.368 207 2HG GLU 24 2HG GLU 24 -5.210 -4.943 2.667 208 H LYS 25 H LYS 25 -3.964 -2.635 3.018 209 HA LYS 25 HA LYS 25 -1.484 -1.930 3.928 210 1HB LYS 25 1HB LYS 25 -3.598 -1.521 5.130 211 2HB LYS 25 2HB LYS 25 -3.867 -3.243 5.304 212 1HG LYS 25 1HG LYS 25 -3.215 -2.411 7.410 213 2HG LYS 25 2HG LYS 25 -1.908 -3.428 6.836 214 1HD LYS 25 1HD LYS 25 -0.603 -1.396 6.204 215 2HD LYS 25 2HD LYS 25 -1.973 -0.384 6.715 216 1HE LYS 25 1HE LYS 25 -1.791 -1.572 8.998 217 2HE LYS 25 2HE LYS 25 -0.229 -2.189 8.450 218 1HZ LYS 25 1HZ LYS 25 -0.050 -0.093 9.715 219 2HZ LYS 25 2HZ LYS 25 0.493 0.128 8.187 220 3HZ LYS 25 3HZ LYS 25 -0.999 0.681 8.623 221 H SER 26 H SER 26 -3.058 -5.066 4.237 222 HA SER 26 HA SER 26 -1.042 -6.229 5.715 223 1HB SER 26 1HB SER 26 -3.082 -7.683 3.992 224 2HB SER 26 2HB SER 26 -2.200 -8.375 5.370 225 HG SER 26 HG SER 26 -4.288 -7.653 5.982 226 H LEU 27 H LEU 27 -1.367 -6.002 2.246 227 HA LEU 27 HA LEU 27 0.563 -8.125 1.587 228 1HB LEU 27 1HB LEU 27 -0.235 -5.937 -0.329 229 2HB LEU 27 2HB LEU 27 0.211 -7.609 -0.636 230 HG LEU 27 HG LEU 27 -2.390 -6.645 0.480 231 1HD1 LEU 27 1HD1 LEU 27 -3.288 -7.354 -1.721 232 2HD1 LEU 27 2HD1 LEU 27 -2.074 -6.060 -1.836 233 3HD1 LEU 27 3HD1 LEU 27 -1.613 -7.728 -2.211 234 1HD2 LEU 27 1HD2 LEU 27 -1.584 -9.468 -0.267 235 2HD2 LEU 27 2HD2 LEU 27 -1.961 -8.862 1.364 236 3HD2 LEU 27 3HD2 LEU 27 -3.234 -8.929 0.151 237 H LEU 28 H LEU 28 0.447 -4.575 1.728 238 HA LEU 28 HA LEU 28 3.134 -4.154 0.750 239 1HB LEU 28 1HB LEU 28 1.380 -2.368 0.755 240 2HB LEU 28 2HB LEU 28 1.490 -2.314 2.517 241 HG LEU 28 HG LEU 28 4.028 -1.841 2.196 242 1HD1 LEU 28 1HD1 LEU 28 4.317 -2.498 -0.128 243 2HD1 LEU 28 2HD1 LEU 28 3.060 -1.357 -0.654 244 3HD1 LEU 28 3HD1 LEU 28 4.595 -0.765 0.004 245 1HD2 LEU 28 1HD2 LEU 28 3.635 0.546 1.842 246 2HD2 LEU 28 2HD2 LEU 28 2.019 0.193 1.208 247 3HD2 LEU 28 3HD2 LEU 28 2.399 -0.153 2.895 248 H GLU 29 H GLU 29 1.714 -4.257 4.061 249 HA GLU 29 HA GLU 29 4.137 -3.883 5.498 250 1HB GLU 29 1HB GLU 29 1.753 -3.908 6.442 251 2HB GLU 29 2HB GLU 29 1.862 -5.679 6.413 252 1HG GLU 29 1HG GLU 29 4.099 -5.283 7.767 253 2HG GLU 29 2HG GLU 29 3.465 -3.670 8.035 254 H GLN 30 H GLN 30 2.683 -6.913 4.270 255 HA GLN 30 HA GLN 30 4.698 -8.682 5.298 256 1HB GLN 30 1HB GLN 30 2.506 -9.379 4.313 257 2HB GLN 30 2HB GLN 30 3.099 -8.985 2.718 258 1HG GLN 30 1HG GLN 30 3.274 -11.398 3.164 259 2HG GLN 30 2HG GLN 30 4.851 -10.683 2.857 260 1HE2 GLN 30 1HE2 GLN 30 6.475 -11.402 4.297 261 2HE2 GLN 30 2HE2 GLN 30 6.098 -11.947 5.930 262 H TYR 31 H TYR 31 4.464 -6.975 2.205 263 HA TYR 31 HA TYR 31 6.783 -8.213 0.991 264 1HB TYR 31 1HB TYR 31 4.875 -7.183 -0.228 265 2HB TYR 31 2HB TYR 31 5.364 -5.597 0.348 266 HD1 TYR 31 1HD TYR 31 6.931 -8.563 -1.343 267 HD2 TYR 31 2HD TYR 31 6.564 -4.286 -1.195 268 HE1 TYR 31 1HE TYR 31 8.252 -8.351 -3.500 269 HE2 TYR 31 2HE TYR 31 8.047 -4.115 -3.189 270 HH TYR 31 HH TYR 31 9.270 -6.947 -4.951 271 H VAL 32 H VAL 32 6.280 -5.299 2.842 272 HA VAL 32 HA VAL 32 9.023 -4.437 2.475 273 HB VAL 32 HB VAL 32 6.573 -3.153 3.599 274 1HG1 VAL 32 1HG1 VAL 32 9.204 -1.719 3.475 275 2HG1 VAL 32 2HG1 VAL 32 7.621 -1.040 3.778 276 3HG1 VAL 32 3HG1 VAL 32 8.308 -2.155 4.952 277 1HG2 VAL 32 1HG2 VAL 32 6.408 -1.990 1.658 278 2HG2 VAL 32 2HG2 VAL 32 8.129 -2.162 1.262 279 3HG2 VAL 32 3HG2 VAL 32 7.012 -3.511 1.071 280 H LYS 33 H LYS 33 7.424 -6.269 4.801 281 HA LYS 33 HA LYS 33 9.614 -5.907 6.818 282 1HB LYS 33 1HB LYS 33 8.396 -6.989 8.411 283 2HB LYS 33 2HB LYS 33 7.171 -6.087 7.532 284 1HG LYS 33 1HG LYS 33 6.841 -8.345 6.215 285 2HG LYS 33 2HG LYS 33 7.719 -9.075 7.553 286 1HD LYS 33 1HD LYS 33 5.100 -7.520 7.693 287 2HD LYS 33 2HD LYS 33 5.297 -9.265 7.860 288 1HE LYS 33 1HE LYS 33 6.632 -8.904 9.934 289 2HE LYS 33 2HE LYS 33 6.428 -7.157 9.755 290 1HZ LYS 33 1HZ LYS 33 4.210 -9.094 10.156 291 2HZ LYS 33 2HZ LYS 33 4.778 -8.057 11.280 292 3HZ LYS 33 3HZ LYS 33 4.002 -7.482 9.956 293 H ASP 34 H ASP 34 8.836 -7.749 4.143 294 HA ASP 34 HA ASP 34 10.671 -10.005 4.523 295 1HB ASP 34 1HB ASP 34 8.712 -9.063 2.512 296 2HB ASP 34 2HB ASP 34 10.170 -9.595 1.772 297 H THR 35 H THR 35 10.639 -7.348 2.134 298 HA THR 35 HA THR 35 13.654 -7.268 2.135 299 HB THR 35 HB THR 35 13.579 -6.633 -0.182 300 HG1 THR 35 1HG THR 35 10.773 -7.026 -0.108 301 1HG2 THR 35 1HG2 THR 35 13.575 -9.073 0.278 302 2HG2 THR 35 2HG2 THR 35 11.800 -9.085 0.148 303 3HG2 THR 35 3HG2 THR 35 12.790 -8.649 -1.257 304 H GLY 36 H GLY 36 10.742 -5.367 2.481 305 1HA GLY 36 1HA GLY 36 10.615 -3.197 3.276 306 2HA GLY 36 2HA GLY 36 12.319 -2.934 2.991 307 H ASN 37 H ASN 37 11.683 -4.139 0.117 308 HA ASN 37 HA ASN 37 11.781 -1.525 -1.063 309 1HB ASN 37 1HB ASN 37 11.452 -4.375 -2.156 310 2HB ASN 37 2HB ASN 37 11.605 -2.993 -3.204 311 1HD2 ASN 37 1HD2 ASN 37 13.645 -3.122 -0.237 312 2HD2 ASN 37 2HD2 ASN 37 15.088 -3.458 -1.171 313 H ASP 38 H ASP 38 10.301 -0.345 -2.288 314 HA ASP 38 HA ASP 38 7.463 -0.884 -2.112 315 1HB ASP 38 1HB ASP 38 9.176 1.028 -3.723 316 2HB ASP 38 2HB ASP 38 7.450 0.880 -4.046 317 HA PRO 39 HA PRO 39 7.128 -4.042 -5.130 318 1HB PRO 39 1HB PRO 39 4.552 -3.836 -6.043 319 2HB PRO 39 2HB PRO 39 5.013 -4.334 -4.388 320 1HG PRO 39 1HG PRO 39 4.201 -1.571 -5.335 321 2HG PRO 39 2HG PRO 39 3.554 -2.496 -3.937 322 1HD PRO 39 1HD PRO 39 5.475 -0.632 -3.586 323 2HD PRO 39 2HD PRO 39 5.538 -2.177 -2.685 324 H ILE 40 H ILE 40 7.265 -0.885 -6.371 325 HA ILE 40 HA ILE 40 7.313 -1.864 -9.218 326 HB ILE 40 HB ILE 40 5.932 0.565 -8.085 327 1HG1 ILE 40 1HG1 ILE 40 4.814 -1.382 -10.127 328 2HG1 ILE 40 2HG1 ILE 40 4.839 -1.848 -8.435 329 1HG2 ILE 40 1HG2 ILE 40 7.162 1.416 -10.020 330 2HG2 ILE 40 2HG2 ILE 40 6.624 0.039 -11.007 331 3HG2 ILE 40 3HG2 ILE 40 5.464 1.258 -10.448 332 1HD1 ILE 40 1HD1 ILE 40 3.495 0.008 -7.761 333 2HD1 ILE 40 2HD1 ILE 40 3.494 0.688 -9.409 334 3HD1 ILE 40 3HD1 ILE 40 2.688 -0.857 -9.081 335 H THR 41 H THR 41 8.405 0.788 -7.037 336 HA THR 41 HA THR 41 10.575 1.496 -8.890 337 HB THR 41 HB THR 41 11.236 3.164 -7.225 338 HG1 THR 41 1HG THR 41 8.971 2.143 -5.928 339 1HG2 THR 41 1HG2 THR 41 9.265 4.598 -7.352 340 2HG2 THR 41 2HG2 THR 41 9.515 3.782 -8.904 341 3HG2 THR 41 3HG2 THR 41 8.236 3.224 -7.804 342 H ASN 42 H ASN 42 10.175 -0.784 -6.349 343 HA ASN 42 HA ASN 42 11.352 -1.755 -4.840 344 1HB ASN 42 1HB ASN 42 13.040 -3.110 -5.567 345 2HB ASN 42 2HB ASN 42 11.974 -2.896 -6.927 346 1HD2 ASN 42 1HD2 ASN 42 15.002 -1.473 -5.595 347 2HD2 ASN 42 2HD2 ASN 42 15.779 -1.317 -7.180 348 H GLU 43 H GLU 43 11.536 1.131 -4.694 349 HA GLU 43 HA GLU 43 14.168 1.770 -3.606 350 1HB GLU 43 1HB GLU 43 11.444 3.020 -3.230 351 2HB GLU 43 2HB GLU 43 12.924 3.713 -2.576 352 1HG GLU 43 1HG GLU 43 13.095 3.092 -5.488 353 2HG GLU 43 2HG GLU 43 11.818 4.207 -5.080 354 HA PRO 44 HA PRO 44 13.633 -0.601 0.095 355 1HB PRO 44 1HB PRO 44 15.609 0.397 1.727 356 2HB PRO 44 2HB PRO 44 15.909 -0.635 0.293 357 1HG PRO 44 1HG PRO 44 16.037 2.393 0.464 358 2HG PRO 44 2HG PRO 44 17.231 1.273 -0.257 359 1HD PRO 44 1HD PRO 44 15.385 2.564 -1.776 360 2HD PRO 44 2HD PRO 44 15.860 0.878 -2.145 361 H LEU 45 H LEU 45 12.227 -0.553 1.626 362 HA LEU 45 HA LEU 45 10.907 -0.120 3.342 363 1HB LEU 45 1HB LEU 45 12.505 2.398 3.806 364 2HB LEU 45 2HB LEU 45 11.144 1.912 4.804 365 HG LEU 45 HG LEU 45 13.484 0.018 4.332 366 1HD1 LEU 45 1HD1 LEU 45 13.191 2.086 6.552 367 2HD1 LEU 45 2HD1 LEU 45 14.430 0.815 6.462 368 3HD1 LEU 45 3HD1 LEU 45 14.401 2.102 5.251 369 1HD2 LEU 45 1HD2 LEU 45 11.427 0.256 6.575 370 2HD2 LEU 45 2HD2 LEU 45 11.435 -0.980 5.298 371 3HD2 LEU 45 3HD2 LEU 45 12.741 -0.934 6.481 372 H SER 46 H SER 46 8.956 0.729 3.732 373 HA SER 46 HA SER 46 7.731 2.608 1.811 374 1HB SER 46 1HB SER 46 7.600 0.190 0.975 375 2HB SER 46 2HB SER 46 6.373 0.010 2.236 376 HG SER 46 HG SER 46 6.271 1.495 -0.118 377 H ILE 47 H ILE 47 6.945 0.348 4.358 378 HA ILE 47 HA ILE 47 4.830 1.670 5.583 379 HB ILE 47 HB ILE 47 6.918 -0.201 6.763 380 1HG1 ILE 47 1HG1 ILE 47 5.689 -1.288 4.977 381 2HG1 ILE 47 2HG1 ILE 47 5.248 -1.981 6.523 382 1HG2 ILE 47 1HG2 ILE 47 4.297 0.667 8.020 383 2HG2 ILE 47 2HG2 ILE 47 5.251 -0.748 8.539 384 3HG2 ILE 47 3HG2 ILE 47 5.945 0.867 8.655 385 1HD1 ILE 47 1HD1 ILE 47 3.290 -1.727 5.058 386 2HD1 ILE 47 2HD1 ILE 47 3.111 -0.674 6.473 387 3HD1 ILE 47 3HD1 ILE 47 3.605 -0.001 4.897 388 H GLU 48 H GLU 48 8.158 2.385 6.022 389 HA GLU 48 HA GLU 48 7.877 4.216 8.261 390 1HB GLU 48 1HB GLU 48 10.010 3.925 6.105 391 2HB GLU 48 2HB GLU 48 10.139 5.033 7.469 392 1HG GLU 48 1HG GLU 48 9.921 1.998 7.689 393 2HG GLU 48 2HG GLU 48 11.399 2.935 7.814 394 H GLU 49 H GLU 49 6.774 4.312 5.103 395 HA GLU 49 HA GLU 49 6.480 7.289 5.082 396 1HB GLU 49 1HB GLU 49 7.293 5.490 2.757 397 2HB GLU 49 2HB GLU 49 6.898 7.208 2.627 398 1HG GLU 49 1HG GLU 49 8.787 7.792 4.096 399 2HG GLU 49 2HG GLU 49 9.221 6.081 4.239 400 H ILE 50 H ILE 50 4.804 4.645 5.465 401 HA ILE 50 HA ILE 50 2.937 4.427 3.455 402 HB ILE 50 HB ILE 50 3.237 2.821 5.231 403 1HG1 ILE 50 1HG1 ILE 50 0.316 3.656 5.150 404 2HG1 ILE 50 2HG1 ILE 50 1.165 2.947 3.777 405 1HG2 ILE 50 1HG2 ILE 50 2.339 3.040 7.461 406 2HG2 ILE 50 2HG2 ILE 50 3.229 4.533 7.174 407 3HG2 ILE 50 3HG2 ILE 50 1.468 4.530 7.052 408 1HD1 ILE 50 1HD1 ILE 50 -0.163 1.308 5.120 409 2HD1 ILE 50 2HD1 ILE 50 1.548 0.895 4.941 410 3HD1 ILE 50 3HD1 ILE 50 0.938 1.564 6.474 411 H VAL 51 H VAL 51 1.161 5.165 2.859 412 HA VAL 51 HA VAL 51 -0.335 7.356 4.288 413 HB VAL 51 HB VAL 51 -0.143 6.978 1.278 414 1HG1 VAL 51 1HG1 VAL 51 -1.315 9.160 1.190 415 2HG1 VAL 51 2HG1 VAL 51 -2.310 7.944 1.985 416 3HG1 VAL 51 3HG1 VAL 51 -1.461 9.160 2.961 417 1HG2 VAL 51 1HG2 VAL 51 1.065 9.145 1.288 418 2HG2 VAL 51 2HG2 VAL 51 1.107 9.100 3.066 419 3HG2 VAL 51 3HG2 VAL 51 1.975 7.880 2.111 420 H GLU 52 H GLU 52 -1.729 5.950 5.398 421 HA GLU 52 HA GLU 52 -3.206 3.868 3.963 422 1HB GLU 52 1HB GLU 52 -4.058 4.992 6.627 423 2HB GLU 52 2HB GLU 52 -4.353 3.394 5.918 424 1HG GLU 52 1HG GLU 52 -1.875 2.941 6.114 425 2HG GLU 52 2HG GLU 52 -1.727 4.434 7.051 426 H ILE 53 H ILE 53 -5.135 4.003 2.929 427 HA ILE 53 HA ILE 53 -6.304 6.681 2.488 428 HB ILE 53 HB ILE 53 -7.074 4.042 1.220 429 1HG1 ILE 53 1HG1 ILE 53 -4.746 4.365 0.656 430 2HG1 ILE 53 2HG1 ILE 53 -5.750 4.683 -0.739 431 1HG2 ILE 53 1HG2 ILE 53 -7.991 5.513 -0.579 432 2HG2 ILE 53 2HG2 ILE 53 -8.808 5.730 0.971 433 3HG2 ILE 53 3HG2 ILE 53 -7.631 6.933 0.421 434 1HD1 ILE 53 1HD1 ILE 53 -4.422 6.793 1.017 435 2HD1 ILE 53 2HD1 ILE 53 -3.941 6.304 -0.614 436 3HD1 ILE 53 3HD1 ILE 53 -5.473 7.146 -0.375 437 H VAL 54 H VAL 54 -6.941 6.866 4.687 438 HA VAL 54 HA VAL 54 -8.809 5.180 6.006 439 HB VAL 54 HB VAL 54 -9.218 7.127 7.522 440 1HG1 VAL 54 1HG1 VAL 54 -6.964 7.176 8.443 441 2HG1 VAL 54 2HG1 VAL 54 -7.352 5.544 7.876 442 3HG1 VAL 54 3HG1 VAL 54 -6.281 6.588 6.915 443 1HG2 VAL 54 1HG2 VAL 54 -7.918 9.165 7.318 444 2HG2 VAL 54 2HG2 VAL 54 -7.234 8.636 5.772 445 3HG2 VAL 54 3HG2 VAL 54 -8.968 8.997 5.906 446 HA PRO 55 HA PRO 55 -12.715 6.293 4.193 447 1HB PRO 55 1HB PRO 55 -14.500 5.565 6.113 448 2HB PRO 55 2HB PRO 55 -13.481 4.377 5.247 449 1HG PRO 55 1HG PRO 55 -12.957 5.635 7.964 450 2HG PRO 55 2HG PRO 55 -12.940 3.893 7.532 451 1HD PRO 55 1HD PRO 55 -10.659 5.365 7.615 452 2HD PRO 55 2HD PRO 55 -10.900 4.102 6.370 453 H SER 56 H SER 56 -11.543 8.000 6.935 454 HA SER 56 HA SER 56 -13.576 9.645 7.798 455 1HB SER 56 1HB SER 56 -10.662 10.434 7.431 456 2HB SER 56 2HB SER 56 -11.830 11.172 8.543 457 HG SER 56 HG SER 56 -10.534 9.628 9.614 Start of MODEL 18 1 H MET 1 H MET 1 -7.628 2.395 -6.772 2 HA MET 1 HA MET 1 -7.438 0.805 -4.668 3 1HB MET 1 1HB MET 1 -9.532 1.717 -5.770 4 2HB MET 1 2HB MET 1 -9.583 0.255 -6.752 5 1HG MET 1 1HG MET 1 -11.112 0.152 -4.850 6 2HG MET 1 2HG MET 1 -9.899 -1.109 -4.728 7 1HE MET 1 1HE MET 1 -10.788 -0.253 -0.993 8 2HE MET 1 2HE MET 1 -11.897 -0.171 -2.381 9 3HE MET 1 3HE MET 1 -10.739 -1.514 -2.243 10 H LEU 2 H LEU 2 -6.092 -0.252 -7.454 11 HA LEU 2 HA LEU 2 -6.463 -3.168 -6.979 12 1HB LEU 2 1HB LEU 2 -6.866 -2.147 -9.265 13 2HB LEU 2 2HB LEU 2 -5.168 -1.684 -9.300 14 HG LEU 2 HG LEU 2 -4.613 -4.195 -9.046 15 1HD1 LEU 2 1HD1 LEU 2 -6.873 -4.938 -8.296 16 2HD1 LEU 2 2HD1 LEU 2 -7.551 -4.428 -9.853 17 3HD1 LEU 2 3HD1 LEU 2 -6.374 -5.756 -9.780 18 1HD2 LEU 2 1HD2 LEU 2 -6.114 -3.257 -11.527 19 2HD2 LEU 2 2HD2 LEU 2 -4.391 -2.989 -11.179 20 3HD2 LEU 2 3HD2 LEU 2 -4.986 -4.633 -11.446 21 H CYS 3 H CYS 3 -4.972 -4.293 -5.755 22 HA CYS 3 HA CYS 3 -2.714 -2.842 -4.843 23 1HB CYS 3 1HB CYS 3 -3.982 -4.241 -3.360 24 2HB CYS 3 2HB CYS 3 -3.862 -5.597 -4.368 25 HG CYS 3 HG CYS 3 -2.531 -6.019 -2.212 26 H ALA 4 H ALA 4 -0.623 -3.310 -4.889 27 HA ALA 4 HA ALA 4 0.409 -4.164 -7.563 28 1HB ALA 4 1HB ALA 4 1.986 -2.909 -5.313 29 2HB ALA 4 2HB ALA 4 2.463 -3.100 -6.999 30 3HB ALA 4 3HB ALA 4 1.144 -1.985 -6.594 31 H ILE 5 H ILE 5 0.256 -5.303 -4.282 32 HA ILE 5 HA ILE 5 2.529 -7.169 -4.536 33 HB ILE 5 HB ILE 5 0.546 -6.566 -2.312 34 1HG1 ILE 5 1HG1 ILE 5 2.945 -6.123 -1.208 35 2HG1 ILE 5 2HG1 ILE 5 3.409 -5.818 -2.872 36 1HG2 ILE 5 1HG2 ILE 5 2.829 -8.628 -2.459 37 2HG2 ILE 5 2HG2 ILE 5 2.025 -8.170 -0.954 38 3HG2 ILE 5 3HG2 ILE 5 1.104 -8.991 -2.212 39 1HD1 ILE 5 1HD1 ILE 5 1.113 -4.471 -1.362 40 2HD1 ILE 5 2HD1 ILE 5 2.725 -3.781 -1.608 41 3HD1 ILE 5 3HD1 ILE 5 1.659 -4.044 -3.000 42 H SER 6 H SER 6 -1.033 -7.407 -4.412 43 HA SER 6 HA SER 6 -0.802 -10.115 -5.665 44 1HB SER 6 1HB SER 6 -1.417 -10.413 -3.305 45 2HB SER 6 2HB SER 6 -2.909 -9.486 -3.623 46 HG SER 6 HG SER 6 -3.147 -11.802 -3.790 47 H GLY 7 H GLY 7 -2.855 -7.277 -5.170 48 1HA GLY 7 1HA GLY 7 -3.932 -6.104 -7.001 49 2HA GLY 7 2HA GLY 7 -3.711 -7.562 -7.942 50 H LYS 8 H LYS 8 -4.815 -7.892 -4.858 51 HA LYS 8 HA LYS 8 -7.605 -8.652 -5.594 52 1HB LYS 8 1HB LYS 8 -7.745 -9.653 -3.489 53 2HB LYS 8 2HB LYS 8 -6.045 -9.889 -3.966 54 1HG LYS 8 1HG LYS 8 -5.322 -8.076 -2.508 55 2HG LYS 8 2HG LYS 8 -7.004 -7.714 -2.069 56 1HD LYS 8 1HD LYS 8 -7.258 -9.991 -1.104 57 2HD LYS 8 2HD LYS 8 -5.540 -10.322 -1.468 58 1HE LYS 8 1HE LYS 8 -4.861 -8.403 -0.084 59 2HE LYS 8 2HE LYS 8 -6.548 -7.952 0.171 60 1HZ LYS 8 1HZ LYS 8 -5.330 -10.468 1.175 61 2HZ LYS 8 2HZ LYS 8 -5.614 -9.095 2.044 62 3HZ LYS 8 3HZ LYS 8 -6.871 -9.958 1.447 63 H VAL 9 H VAL 9 -9.404 -7.775 -4.196 64 HA VAL 9 HA VAL 9 -9.415 -4.837 -4.113 65 HB VAL 9 HB VAL 9 -11.501 -6.805 -3.098 66 1HG1 VAL 9 1HG1 VAL 9 -11.725 -4.593 -2.005 67 2HG1 VAL 9 2HG1 VAL 9 -11.636 -3.788 -3.590 68 3HG1 VAL 9 3HG1 VAL 9 -13.014 -4.833 -3.185 69 1HG2 VAL 9 1HG2 VAL 9 -11.217 -6.976 -5.540 70 2HG2 VAL 9 2HG2 VAL 9 -12.730 -6.153 -5.159 71 3HG2 VAL 9 3HG2 VAL 9 -11.325 -5.207 -5.697 72 HA PRO 10 HA PRO 10 -7.365 -5.275 -0.142 73 1HB PRO 10 1HB PRO 10 -6.815 -2.666 0.446 74 2HB PRO 10 2HB PRO 10 -5.995 -3.562 -0.871 75 1HG PRO 10 1HG PRO 10 -8.367 -1.696 -1.118 76 2HG PRO 10 2HG PRO 10 -6.840 -1.680 -2.063 77 1HD PRO 10 1HD PRO 10 -9.076 -2.909 -3.002 78 2HD PRO 10 2HD PRO 10 -7.452 -3.610 -3.264 79 H ARG 11 H ARG 11 -8.145 -5.593 1.837 80 HA ARG 11 HA ARG 11 -10.668 -4.487 2.838 81 1HB ARG 11 1HB ARG 11 -8.430 -5.973 4.294 82 2HB ARG 11 2HB ARG 11 -10.028 -5.640 4.942 83 1HG ARG 11 1HG ARG 11 -9.388 -7.435 2.558 84 2HG ARG 11 2HG ARG 11 -9.830 -7.969 4.171 85 1HD ARG 11 1HD ARG 11 -11.626 -6.408 2.268 86 2HD ARG 11 2HD ARG 11 -11.697 -8.143 2.577 87 HE ARG 11 HE ARG 11 -11.952 -6.945 5.097 88 1HH1 ARG 11 2HH2 ARG 11 -13.860 -6.966 2.170 89 2HH1 ARG 11 1HH2 ARG 11 -15.353 -6.699 3.038 90 1HH2 ARG 11 2HH1 ARG 11 -13.860 -6.585 6.138 91 2HH2 ARG 11 1HH1 ARG 11 -15.340 -6.488 5.225 92 H ARG 12 H ARG 12 -7.249 -3.725 3.317 93 HA ARG 12 HA ARG 12 -8.047 -1.095 4.551 94 1HB ARG 12 1HB ARG 12 -5.582 -2.763 5.132 95 2HB ARG 12 2HB ARG 12 -5.874 -1.141 5.747 96 1HG ARG 12 1HG ARG 12 -7.525 -3.630 6.371 97 2HG ARG 12 2HG ARG 12 -6.323 -2.893 7.420 98 1HD ARG 12 1HD ARG 12 -8.934 -1.582 6.554 99 2HD ARG 12 2HD ARG 12 -8.617 -2.372 8.102 100 HE ARG 12 HE ARG 12 -6.810 -0.112 7.377 101 1HH1 ARG 12 2HH2 ARG 12 -9.665 -0.962 9.276 102 2HH1 ARG 12 1HH2 ARG 12 -9.468 0.476 10.248 103 1HH2 ARG 12 2HH1 ARG 12 -6.687 1.536 8.557 104 2HH2 ARG 12 1HH1 ARG 12 -7.875 1.946 9.802 105 HA PRO 13 HA PRO 13 -6.020 -0.223 0.489 106 1HB PRO 13 1HB PRO 13 -7.354 2.217 0.085 107 2HB PRO 13 2HB PRO 13 -7.836 0.617 -0.535 108 1HG PRO 13 1HG PRO 13 -8.767 1.991 1.998 109 2HG PRO 13 2HG PRO 13 -9.759 1.161 0.750 110 1HD PRO 13 1HD PRO 13 -9.166 -0.207 2.958 111 2HD PRO 13 2HD PRO 13 -8.833 -0.979 1.365 112 H VAL 14 H VAL 14 -4.205 0.520 0.473 113 HA VAL 14 HA VAL 14 -3.252 2.908 2.017 114 HB VAL 14 HB VAL 14 -2.581 0.040 2.353 115 1HG1 VAL 14 1HG1 VAL 14 -0.261 0.263 2.893 116 2HG1 VAL 14 2HG1 VAL 14 -0.500 0.684 1.216 117 3HG1 VAL 14 3HG1 VAL 14 -0.253 1.978 2.388 118 1HG2 VAL 14 1HG2 VAL 14 -2.021 2.515 4.040 119 2HG2 VAL 14 2HG2 VAL 14 -3.496 1.504 4.126 120 3HG2 VAL 14 3HG2 VAL 14 -1.918 0.843 4.574 121 H LEU 15 H LEU 15 -1.607 4.054 1.164 122 HA LEU 15 HA LEU 15 -0.525 3.312 -1.520 123 1HB LEU 15 1HB LEU 15 -2.299 4.881 -1.804 124 2HB LEU 15 2HB LEU 15 -1.739 5.920 -0.509 125 HG LEU 15 HG LEU 15 0.065 5.517 -2.906 126 1HD1 LEU 15 1HD1 LEU 15 -2.352 7.372 -2.820 127 2HD1 LEU 15 2HD1 LEU 15 -1.073 7.390 -4.058 128 3HD1 LEU 15 3HD1 LEU 15 -2.131 5.981 -3.902 129 1HD2 LEU 15 1HD2 LEU 15 0.779 6.950 -0.919 130 2HD2 LEU 15 2HD2 LEU 15 0.694 7.831 -2.449 131 3HD2 LEU 15 3HD2 LEU 15 -0.602 7.999 -1.245 132 H SER 16 H SER 16 1.527 4.173 -1.974 133 HA SER 16 HA SER 16 3.065 5.416 0.252 134 1HB SER 16 1HB SER 16 4.039 3.180 -1.553 135 2HB SER 16 2HB SER 16 5.095 4.198 -0.565 136 HG SER 16 HG SER 16 4.567 2.277 0.498 137 HA PRO 17 HA PRO 17 3.477 8.511 -2.786 138 1HB PRO 17 1HB PRO 17 5.650 9.958 -1.941 139 2HB PRO 17 2HB PRO 17 4.110 9.871 -1.036 140 1HG PRO 17 1HG PRO 17 6.606 8.191 -0.608 141 2HG PRO 17 2HG PRO 17 5.688 9.132 0.614 142 1HD PRO 17 1HD PRO 17 5.242 6.486 0.290 143 2HD PRO 17 2HD PRO 17 3.870 7.607 0.551 144 H LYS 18 H LYS 18 5.499 5.942 -2.862 145 HA LYS 18 HA LYS 18 7.358 6.888 -4.989 146 1HB LYS 18 1HB LYS 18 7.264 4.159 -3.687 147 2HB LYS 18 2HB LYS 18 8.566 4.904 -4.622 148 1HG LYS 18 1HG LYS 18 8.970 6.510 -2.802 149 2HG LYS 18 2HG LYS 18 7.646 5.797 -1.846 150 1HD LYS 18 1HD LYS 18 8.766 3.595 -1.903 151 2HD LYS 18 2HD LYS 18 10.102 4.306 -2.815 152 1HE LYS 18 1HE LYS 18 9.238 4.999 0.029 153 2HE LYS 18 2HE LYS 18 10.642 4.028 -0.420 154 1HZ LYS 18 1HZ LYS 18 11.275 6.287 0.070 155 2HZ LYS 18 2HZ LYS 18 11.531 6.023 -1.568 156 3HZ LYS 18 3HZ LYS 18 10.255 6.901 -1.015 157 H SER 19 H SER 19 5.544 3.784 -4.606 158 HA SER 19 HA SER 19 4.900 3.316 -7.225 159 1HB SER 19 1HB SER 19 3.196 1.862 -6.383 160 2HB SER 19 2HB SER 19 4.534 1.814 -5.234 161 HG SER 19 HG SER 19 2.144 2.151 -4.574 162 H ARG 20 H ARG 20 2.960 5.275 -4.988 163 HA ARG 20 HA ARG 20 1.103 6.580 -5.160 164 1HB ARG 20 1HB ARG 20 1.739 6.843 -8.122 165 2HB ARG 20 2HB ARG 20 0.587 7.823 -7.234 166 1HG ARG 20 1HG ARG 20 3.563 7.742 -6.580 167 2HG ARG 20 2HG ARG 20 2.811 8.909 -7.665 168 1HD ARG 20 1HD ARG 20 1.378 9.750 -5.879 169 2HD ARG 20 2HD ARG 20 2.018 8.546 -4.747 170 HE ARG 20 HE ARG 20 4.301 9.611 -5.176 171 1HH1 ARG 20 2HH2 ARG 20 1.436 11.641 -5.218 172 2HH1 ARG 20 1HH2 ARG 20 2.356 13.048 -4.746 173 1HH2 ARG 20 2HH1 ARG 20 5.363 11.373 -4.599 174 2HH2 ARG 20 1HH1 ARG 20 4.536 12.900 -4.413 175 H THR 21 H THR 21 1.135 3.539 -6.142 176 HA THR 21 HA THR 21 -1.532 3.185 -7.265 177 HB THR 21 HB THR 21 -0.962 0.814 -6.938 178 HG1 THR 21 1HG THR 21 0.991 0.248 -6.058 179 1HG2 THR 21 1HG2 THR 21 -0.010 2.002 -8.961 180 2HG2 THR 21 2HG2 THR 21 1.503 2.212 -8.045 181 3HG2 THR 21 3HG2 THR 21 0.921 0.586 -8.424 182 H ILE 22 H ILE 22 -2.907 1.381 -5.914 183 HA ILE 22 HA ILE 22 -2.748 1.988 -3.005 184 HB ILE 22 HB ILE 22 -5.305 1.633 -4.540 185 1HG1 ILE 22 1HG1 ILE 22 -4.191 4.116 -3.150 186 2HG1 ILE 22 2HG1 ILE 22 -4.304 3.891 -4.893 187 1HG2 ILE 22 1HG2 ILE 22 -5.340 0.648 -2.231 188 2HG2 ILE 22 2HG2 ILE 22 -4.848 2.230 -1.581 189 3HG2 ILE 22 3HG2 ILE 22 -6.423 2.022 -2.380 190 1HD1 ILE 22 1HD1 ILE 22 -6.103 5.303 -4.232 191 2HD1 ILE 22 2HD1 ILE 22 -6.798 3.738 -4.697 192 3HD1 ILE 22 3HD1 ILE 22 -6.641 4.181 -2.982 193 H PHE 23 H PHE 23 -2.150 0.294 -2.043 194 HA PHE 23 HA PHE 23 -2.966 -2.446 -2.911 195 1HB PHE 23 1HB PHE 23 -0.822 -3.023 -1.399 196 2HB PHE 23 2HB PHE 23 -0.801 -2.869 -3.139 197 HD1 PHE 23 1HD PHE 23 0.786 -1.593 -4.138 198 HD2 PHE 23 2HD PHE 23 -0.185 -0.983 -0.078 199 HE1 PHE 23 1HE PHE 23 2.518 0.162 -4.075 200 HE2 PHE 23 2HE PHE 23 1.482 1.013 0.003 201 HZ PHE 23 HZ PHE 23 2.831 1.499 -1.989 202 H GLU 24 H GLU 24 -2.872 -4.037 -1.022 203 HA GLU 24 HA GLU 24 -4.553 -2.919 1.064 204 1HB GLU 24 1HB GLU 24 -4.687 -5.320 0.242 205 2HB GLU 24 2HB GLU 24 -3.227 -5.602 1.222 206 1HG GLU 24 1HG GLU 24 -4.389 -4.981 3.259 207 2HG GLU 24 2HG GLU 24 -5.788 -4.422 2.342 208 H LYS 25 H LYS 25 -3.848 -2.427 3.268 209 HA LYS 25 HA LYS 25 -1.144 -1.745 3.816 210 1HB LYS 25 1HB LYS 25 -3.207 -0.924 5.048 211 2HB LYS 25 2HB LYS 25 -3.313 -2.495 5.842 212 1HG LYS 25 1HG LYS 25 -1.218 -2.194 6.977 213 2HG LYS 25 2HG LYS 25 -0.756 -0.850 5.934 214 1HD LYS 25 1HD LYS 25 -1.332 -0.008 8.111 215 2HD LYS 25 2HD LYS 25 -2.498 0.582 6.922 216 1HE LYS 25 1HE LYS 25 -4.148 -1.081 7.656 217 2HE LYS 25 2HE LYS 25 -2.974 -1.799 8.768 218 1HZ LYS 25 1HZ LYS 25 -3.983 0.998 8.931 219 2HZ LYS 25 2HZ LYS 25 -4.480 -0.234 9.895 220 3HZ LYS 25 3HZ LYS 25 -2.943 0.305 9.995 221 H SER 26 H SER 26 -3.042 -4.659 4.560 222 HA SER 26 HA SER 26 -0.946 -5.951 5.928 223 1HB SER 26 1HB SER 26 -3.233 -7.321 4.498 224 2HB SER 26 2HB SER 26 -2.258 -7.985 5.813 225 HG SER 26 HG SER 26 -4.230 -7.118 6.594 226 H LEU 27 H LEU 27 -1.733 -6.067 2.387 227 HA LEU 27 HA LEU 27 0.240 -8.102 1.837 228 1HB LEU 27 1HB LEU 27 -1.082 -6.094 -0.039 229 2HB LEU 27 2HB LEU 27 -0.091 -7.473 -0.458 230 HG LEU 27 HG LEU 27 -2.958 -7.411 0.229 231 1HD1 LEU 27 1HD1 LEU 27 -3.033 -9.187 -1.371 232 2HD1 LEU 27 2HD1 LEU 27 -2.053 -7.844 -1.997 233 3HD1 LEU 27 3HD1 LEU 27 -1.250 -9.298 -1.364 234 1HD2 LEU 27 1HD2 LEU 27 -2.986 -9.815 0.883 235 2HD2 LEU 27 2HD2 LEU 27 -1.227 -9.761 1.087 236 3HD2 LEU 27 3HD2 LEU 27 -2.299 -8.779 2.126 237 H LEU 28 H LEU 28 0.300 -4.521 1.826 238 HA LEU 28 HA LEU 28 2.971 -4.301 0.764 239 1HB LEU 28 1HB LEU 28 1.471 -2.330 0.942 240 2HB LEU 28 2HB LEU 28 1.619 -2.399 2.697 241 HG LEU 28 HG LEU 28 4.199 -2.211 2.337 242 1HD1 LEU 28 1HD1 LEU 28 3.266 -1.403 -0.438 243 2HD1 LEU 28 2HD1 LEU 28 4.881 -1.108 0.227 244 3HD1 LEU 28 3HD1 LEU 28 4.332 -2.761 -0.025 245 1HD2 LEU 28 1HD2 LEU 28 2.335 0.065 1.703 246 2HD2 LEU 28 2HD2 LEU 28 2.980 -0.426 3.274 247 3HD2 LEU 28 3HD2 LEU 28 4.066 0.248 2.048 248 H GLU 29 H GLU 29 1.596 -4.594 4.086 249 HA GLU 29 HA GLU 29 3.972 -4.419 5.604 250 1HB GLU 29 1HB GLU 29 1.606 -4.544 6.509 251 2HB GLU 29 2HB GLU 29 1.697 -6.295 6.268 252 1HG GLU 29 1HG GLU 29 3.952 -6.022 7.693 253 2HG GLU 29 2HG GLU 29 3.194 -4.526 8.206 254 H GLN 30 H GLN 30 2.564 -7.230 3.952 255 HA GLN 30 HA GLN 30 4.477 -9.200 4.779 256 1HB GLN 30 1HB GLN 30 2.226 -9.520 3.582 257 2HB GLN 30 2HB GLN 30 3.065 -9.138 2.084 258 1HG GLN 30 1HG GLN 30 4.642 -11.017 2.474 259 2HG GLN 30 2HG GLN 30 3.798 -11.410 3.979 260 1HE2 GLN 30 1HE2 GLN 30 1.486 -12.176 3.799 261 2HE2 GLN 30 2HE2 GLN 30 1.003 -12.921 2.280 262 H TYR 31 H TYR 31 4.422 -7.076 1.894 263 HA TYR 31 HA TYR 31 6.847 -8.191 0.762 264 1HB TYR 31 1HB TYR 31 4.971 -7.136 -0.500 265 2HB TYR 31 2HB TYR 31 5.432 -5.566 0.153 266 HD1 TYR 31 1HD TYR 31 6.782 -4.229 -1.245 267 HD2 TYR 31 2HD TYR 31 7.016 -8.502 -1.566 268 HE1 TYR 31 1HE TYR 31 8.428 -4.019 -3.126 269 HE2 TYR 31 2HE TYR 31 8.514 -8.254 -3.591 270 HH TYR 31 HH TYR 31 9.686 -6.825 -4.901 271 H VAL 32 H VAL 32 6.130 -5.395 2.735 272 HA VAL 32 HA VAL 32 8.799 -4.371 2.535 273 HB VAL 32 HB VAL 32 6.559 -3.113 2.719 274 1HG1 VAL 32 1HG1 VAL 32 5.980 -4.312 4.918 275 2HG1 VAL 32 2HG1 VAL 32 7.056 -3.167 5.725 276 3HG1 VAL 32 3HG1 VAL 32 5.629 -2.588 4.829 277 1HG2 VAL 32 1HG2 VAL 32 8.487 -1.748 2.675 278 2HG2 VAL 32 2HG2 VAL 32 7.463 -1.150 3.971 279 3HG2 VAL 32 3HG2 VAL 32 8.897 -2.097 4.382 280 H LYS 33 H LYS 33 7.407 -6.646 4.608 281 HA LYS 33 HA LYS 33 9.767 -6.509 6.462 282 1HB LYS 33 1HB LYS 33 8.684 -7.743 8.055 283 2HB LYS 33 2HB LYS 33 7.470 -6.632 7.444 284 1HG LYS 33 1HG LYS 33 6.646 -8.612 5.979 285 2HG LYS 33 2HG LYS 33 7.709 -9.632 6.954 286 1HD LYS 33 1HD LYS 33 6.549 -8.923 9.015 287 2HD LYS 33 2HD LYS 33 5.532 -7.809 8.081 288 1HE LYS 33 1HE LYS 33 4.604 -9.734 6.809 289 2HE LYS 33 2HE LYS 33 5.577 -10.840 7.795 290 1HZ LYS 33 1HZ LYS 33 3.312 -10.629 8.663 291 2HZ LYS 33 2HZ LYS 33 4.357 -10.020 9.756 292 3HZ LYS 33 3HZ LYS 33 3.458 -9.009 8.832 293 H ASP 34 H ASP 34 8.747 -8.021 3.671 294 HA ASP 34 HA ASP 34 10.476 -10.394 3.764 295 1HB ASP 34 1HB ASP 34 8.550 -9.187 1.925 296 2HB ASP 34 2HB ASP 34 10.011 -9.509 1.064 297 H THR 35 H THR 35 10.588 -7.256 2.055 298 HA THR 35 HA THR 35 13.604 -7.324 2.033 299 HB THR 35 HB THR 35 13.592 -6.388 -0.214 300 HG1 THR 35 1HG THR 35 10.823 -6.976 -0.292 301 1HG2 THR 35 1HG2 THR 35 11.967 -8.965 -0.202 302 2HG2 THR 35 2HG2 THR 35 12.954 -8.324 -1.531 303 3HG2 THR 35 3HG2 THR 35 13.733 -8.859 -0.031 304 H GLY 36 H GLY 36 10.651 -5.489 2.296 305 1HA GLY 36 1HA GLY 36 10.430 -3.340 3.292 306 2HA GLY 36 2HA GLY 36 12.134 -3.032 3.065 307 H ASN 37 H ASN 37 11.448 -4.242 0.133 308 HA ASN 37 HA ASN 37 11.715 -1.652 -1.004 309 1HB ASN 37 1HB ASN 37 11.059 -4.359 -2.232 310 2HB ASN 37 2HB ASN 37 11.477 -2.942 -3.173 311 1HD2 ASN 37 1HD2 ASN 37 12.921 -5.421 -3.197 312 2HD2 ASN 37 2HD2 ASN 37 14.544 -5.013 -2.647 313 H ASP 38 H ASP 38 10.389 -0.361 -2.283 314 HA ASP 38 HA ASP 38 7.532 -0.419 -2.079 315 1HB ASP 38 1HB ASP 38 8.965 1.560 -2.959 316 2HB ASP 38 2HB ASP 38 9.123 0.694 -4.435 317 HA PRO 39 HA PRO 39 6.957 -3.904 -4.913 318 1HB PRO 39 1HB PRO 39 4.297 -3.758 -5.485 319 2HB PRO 39 2HB PRO 39 4.938 -4.257 -3.894 320 1HG PRO 39 1HG PRO 39 4.037 -1.479 -4.720 321 2HG PRO 39 2HG PRO 39 3.505 -2.419 -3.287 322 1HD PRO 39 1HD PRO 39 5.444 -0.580 -3.067 323 2HD PRO 39 2HD PRO 39 5.612 -2.143 -2.220 324 H ILE 40 H ILE 40 6.993 -0.619 -5.936 325 HA ILE 40 HA ILE 40 6.603 -1.405 -8.807 326 HB ILE 40 HB ILE 40 5.718 1.166 -7.473 327 1HG1 ILE 40 1HG1 ILE 40 4.087 -0.572 -7.028 328 2HG1 ILE 40 2HG1 ILE 40 3.454 0.593 -8.176 329 1HG2 ILE 40 1HG2 ILE 40 6.556 1.760 -9.637 330 2HG2 ILE 40 2HG2 ILE 40 5.709 0.412 -10.412 331 3HG2 ILE 40 3HG2 ILE 40 4.797 1.771 -9.723 332 1HD1 ILE 40 1HD1 ILE 40 2.792 -1.640 -8.838 333 2HD1 ILE 40 2HD1 ILE 40 3.906 -0.991 -10.048 334 3HD1 ILE 40 3HD1 ILE 40 4.478 -2.182 -8.860 335 H THR 41 H THR 41 8.218 0.888 -6.527 336 HA THR 41 HA THR 41 10.158 1.555 -8.690 337 HB THR 41 HB THR 41 10.893 3.366 -7.146 338 HG1 THR 41 1HG THR 41 8.534 2.529 -5.875 339 1HG2 THR 41 1HG2 THR 41 8.938 4.794 -7.522 340 2HG2 THR 41 2HG2 THR 41 9.266 3.821 -8.967 341 3HG2 THR 41 3HG2 THR 41 7.927 3.378 -7.885 342 H ASN 42 H ASN 42 9.934 -0.643 -6.248 343 HA ASN 42 HA ASN 42 11.155 -1.662 -4.765 344 1HB ASN 42 1HB ASN 42 12.508 -3.187 -5.609 345 2HB ASN 42 2HB ASN 42 11.768 -2.623 -7.097 346 1HD2 ASN 42 1HD2 ASN 42 13.467 -0.222 -7.478 347 2HD2 ASN 42 2HD2 ASN 42 15.062 -0.885 -7.839 348 H GLU 43 H GLU 43 11.504 1.174 -4.474 349 HA GLU 43 HA GLU 43 14.250 1.541 -3.494 350 1HB GLU 43 1HB GLU 43 11.853 3.106 -2.528 351 2HB GLU 43 2HB GLU 43 13.561 3.539 -2.431 352 1HG GLU 43 1HG GLU 43 13.509 3.422 -5.034 353 2HG GLU 43 2HG GLU 43 11.764 3.527 -4.859 354 HA PRO 44 HA PRO 44 13.691 -0.859 0.202 355 1HB PRO 44 1HB PRO 44 15.748 0.023 1.801 356 2HB PRO 44 2HB PRO 44 15.970 -1.017 0.360 357 1HG PRO 44 1HG PRO 44 16.257 1.999 0.541 358 2HG PRO 44 2HG PRO 44 17.382 0.822 -0.212 359 1HD PRO 44 1HD PRO 44 15.572 2.223 -1.681 360 2HD PRO 44 2HD PRO 44 15.954 0.518 -2.073 361 H LEU 45 H LEU 45 12.250 -0.700 1.660 362 HA LEU 45 HA LEU 45 10.893 -0.172 3.328 363 1HB LEU 45 1HB LEU 45 12.580 2.270 3.835 364 2HB LEU 45 2HB LEU 45 11.118 1.913 4.726 365 HG LEU 45 HG LEU 45 13.317 -0.180 4.502 366 1HD1 LEU 45 1HD1 LEU 45 14.372 1.856 5.393 367 2HD1 LEU 45 2HD1 LEU 45 13.082 2.013 6.606 368 3HD1 LEU 45 3HD1 LEU 45 14.200 0.628 6.658 369 1HD2 LEU 45 1HD2 LEU 45 12.373 -0.966 6.631 370 2HD2 LEU 45 2HD2 LEU 45 11.175 0.341 6.607 371 3HD2 LEU 45 3HD2 LEU 45 11.132 -0.944 5.378 372 H SER 46 H SER 46 8.970 0.855 3.637 373 HA SER 46 HA SER 46 7.921 2.525 1.455 374 1HB SER 46 1HB SER 46 7.862 0.031 0.817 375 2HB SER 46 2HB SER 46 6.570 -0.102 2.005 376 HG SER 46 HG SER 46 6.646 1.474 -0.354 377 H ILE 47 H ILE 47 6.702 0.398 4.035 378 HA ILE 47 HA ILE 47 4.722 1.935 4.965 379 HB ILE 47 HB ILE 47 5.283 -0.443 5.364 380 1HG1 ILE 47 1HG1 ILE 47 4.536 0.605 8.076 381 2HG1 ILE 47 2HG1 ILE 47 3.516 1.033 6.700 382 1HG2 ILE 47 1HG2 ILE 47 6.957 0.543 7.715 383 2HG2 ILE 47 2HG2 ILE 47 6.598 -1.141 7.306 384 3HG2 ILE 47 3HG2 ILE 47 7.603 -0.167 6.226 385 1HD1 ILE 47 1HD1 ILE 47 3.317 -1.341 6.055 386 2HD1 ILE 47 2HD1 ILE 47 4.311 -1.807 7.448 387 3HD1 ILE 47 3HD1 ILE 47 2.713 -1.061 7.709 388 H GLU 48 H GLU 48 7.997 2.547 5.675 389 HA GLU 48 HA GLU 48 7.646 4.335 7.941 390 1HB GLU 48 1HB GLU 48 9.877 3.994 5.899 391 2HB GLU 48 2HB GLU 48 9.970 5.101 7.270 392 1HG GLU 48 1HG GLU 48 9.608 2.082 7.509 393 2HG GLU 48 2HG GLU 48 11.136 2.931 7.643 394 H GLU 49 H GLU 49 6.759 4.510 4.712 395 HA GLU 49 HA GLU 49 6.513 7.493 4.737 396 1HB GLU 49 1HB GLU 49 7.437 5.643 2.495 397 2HB GLU 49 2HB GLU 49 6.842 7.283 2.202 398 1HG GLU 49 1HG GLU 49 8.596 8.216 3.661 399 2HG GLU 49 2HG GLU 49 9.206 6.591 3.986 400 H ILE 50 H ILE 50 4.750 4.926 5.166 401 HA ILE 50 HA ILE 50 2.826 4.732 3.209 402 HB ILE 50 HB ILE 50 3.300 3.237 5.118 403 1HG1 ILE 50 1HG1 ILE 50 0.315 3.648 4.924 404 2HG1 ILE 50 2HG1 ILE 50 1.282 3.109 3.545 405 1HG2 ILE 50 1HG2 ILE 50 1.322 4.898 6.740 406 2HG2 ILE 50 2HG2 ILE 50 2.217 3.458 7.267 407 3HG2 ILE 50 3HG2 ILE 50 3.080 4.963 6.960 408 1HD1 ILE 50 1HD1 ILE 50 2.093 1.174 4.751 409 2HD1 ILE 50 2HD1 ILE 50 1.242 1.679 6.236 410 3HD1 ILE 50 3HD1 ILE 50 0.328 1.202 4.812 411 H VAL 51 H VAL 51 0.914 5.348 2.825 412 HA VAL 51 HA VAL 51 -0.531 7.525 4.306 413 HB VAL 51 HB VAL 51 -0.443 7.237 1.274 414 1HG1 VAL 51 1HG1 VAL 51 -1.735 9.349 3.064 415 2HG1 VAL 51 2HG1 VAL 51 -1.667 9.387 1.289 416 3HG1 VAL 51 3HG1 VAL 51 -2.603 8.135 2.100 417 1HG2 VAL 51 1HG2 VAL 51 0.831 9.337 3.076 418 2HG2 VAL 51 2HG2 VAL 51 1.686 8.167 2.049 419 3HG2 VAL 51 3HG2 VAL 51 0.716 9.434 1.302 420 H GLU 52 H GLU 52 -2.004 6.189 5.373 421 HA GLU 52 HA GLU 52 -3.481 4.110 3.881 422 1HB GLU 52 1HB GLU 52 -2.844 3.696 6.180 423 2HB GLU 52 2HB GLU 52 -3.788 5.085 6.739 424 1HG GLU 52 1HG GLU 52 -5.855 4.048 6.180 425 2HG GLU 52 2HG GLU 52 -5.088 2.854 5.145 426 H ILE 53 H ILE 53 -5.394 4.255 2.927 427 HA ILE 53 HA ILE 53 -6.676 6.878 2.595 428 HB ILE 53 HB ILE 53 -7.145 4.105 1.442 429 1HG1 ILE 53 1HG1 ILE 53 -6.761 5.345 -0.731 430 2HG1 ILE 53 2HG1 ILE 53 -6.322 6.777 0.195 431 1HG2 ILE 53 1HG2 ILE 53 -9.389 5.031 1.646 432 2HG2 ILE 53 2HG2 ILE 53 -8.851 6.569 0.929 433 3HG2 ILE 53 3HG2 ILE 53 -8.887 5.083 -0.035 434 1HD1 ILE 53 1HD1 ILE 53 -4.406 5.452 -0.715 435 2HD1 ILE 53 2HD1 ILE 53 -4.325 5.635 1.038 436 3HD1 ILE 53 3HD1 ILE 53 -4.869 4.093 0.322 437 H VAL 54 H VAL 54 -7.355 3.877 4.327 438 HA VAL 54 HA VAL 54 -10.078 4.268 4.931 439 HB VAL 54 HB VAL 54 -8.090 2.795 6.699 440 1HG1 VAL 54 1HG1 VAL 54 -10.140 1.411 7.213 441 2HG1 VAL 54 2HG1 VAL 54 -10.259 3.066 7.798 442 3HG1 VAL 54 3HG1 VAL 54 -11.114 2.581 6.313 443 1HG2 VAL 54 1HG2 VAL 54 -9.668 1.827 4.280 444 2HG2 VAL 54 2HG2 VAL 54 -7.891 1.913 4.432 445 3HG2 VAL 54 3HG2 VAL 54 -8.807 0.787 5.435 446 HA PRO 55 HA PRO 55 -9.524 7.751 7.754 447 1HB PRO 55 1HB PRO 55 -12.116 8.397 8.262 448 2HB PRO 55 2HB PRO 55 -11.352 8.651 6.664 449 1HG PRO 55 1HG PRO 55 -13.060 6.295 7.544 450 2HG PRO 55 2HG PRO 55 -13.250 7.308 6.076 451 1HD PRO 55 1HD PRO 55 -11.926 4.935 6.014 452 2HD PRO 55 2HD PRO 55 -11.369 6.328 5.042 453 H SER 56 H SER 56 -10.914 4.746 8.653 454 HA SER 56 HA SER 56 -11.422 3.670 10.599 455 1HB SER 56 1HB SER 56 -9.004 5.186 11.633 456 2HB SER 56 2HB SER 56 -9.653 3.655 12.252 457 HG SER 56 HG SER 56 -8.499 4.186 9.707 Start of MODEL 19 1 H MET 1 H MET 1 -5.855 2.527 -7.641 2 HA MET 1 HA MET 1 -7.454 1.465 -6.142 3 1HB MET 1 1HB MET 1 -8.281 0.998 -9.038 4 2HB MET 1 2HB MET 1 -9.381 1.002 -7.654 5 1HG MET 1 1HG MET 1 -7.719 3.366 -8.601 6 2HG MET 1 2HG MET 1 -9.440 3.128 -8.876 7 1HE MET 1 1HE MET 1 -8.108 5.770 -7.678 8 2HE MET 1 2HE MET 1 -9.851 5.599 -7.984 9 3HE MET 1 3HE MET 1 -9.278 6.179 -6.403 10 H LEU 2 H LEU 2 -5.563 -0.653 -7.872 11 HA LEU 2 HA LEU 2 -6.520 -2.941 -6.281 12 1HB LEU 2 1HB LEU 2 -6.410 -4.545 -7.993 13 2HB LEU 2 2HB LEU 2 -7.452 -3.265 -8.540 14 HG LEU 2 HG LEU 2 -6.317 -3.981 -10.413 15 1HD1 LEU 2 1HD1 LEU 2 -5.032 -2.151 -11.270 16 2HD1 LEU 2 2HD1 LEU 2 -6.342 -1.510 -10.264 17 3HD1 LEU 2 3HD1 LEU 2 -4.672 -1.555 -9.642 18 1HD2 LEU 2 1HD2 LEU 2 -4.530 -5.276 -9.340 19 2HD2 LEU 2 2HD2 LEU 2 -3.960 -4.316 -10.713 20 3HD2 LEU 2 3HD2 LEU 2 -3.611 -3.778 -9.067 21 H CYS 3 H CYS 3 -4.974 -4.460 -5.625 22 HA CYS 3 HA CYS 3 -2.730 -2.945 -4.792 23 1HB CYS 3 1HB CYS 3 -3.954 -4.442 -3.335 24 2HB CYS 3 2HB CYS 3 -3.664 -5.781 -4.408 25 HG CYS 3 HG CYS 3 -2.380 -6.203 -2.231 26 H ALA 4 H ALA 4 -0.696 -3.122 -5.038 27 HA ALA 4 HA ALA 4 0.301 -4.066 -7.688 28 1HB ALA 4 1HB ALA 4 0.937 -1.803 -6.800 29 2HB ALA 4 2HB ALA 4 1.911 -2.652 -5.568 30 3HB ALA 4 3HB ALA 4 2.297 -2.843 -7.277 31 H ILE 5 H ILE 5 0.294 -5.130 -4.396 32 HA ILE 5 HA ILE 5 2.609 -6.930 -4.671 33 HB ILE 5 HB ILE 5 0.609 -6.512 -2.412 34 1HG1 ILE 5 1HG1 ILE 5 2.923 -6.041 -1.258 35 2HG1 ILE 5 2HG1 ILE 5 3.505 -5.770 -2.889 36 1HG2 ILE 5 1HG2 ILE 5 2.147 -8.154 -1.174 37 2HG2 ILE 5 2HG2 ILE 5 1.225 -8.925 -2.464 38 3HG2 ILE 5 3HG2 ILE 5 2.936 -8.510 -2.715 39 1HD1 ILE 5 1HD1 ILE 5 1.771 -3.965 -3.149 40 2HD1 ILE 5 2HD1 ILE 5 1.181 -4.331 -1.513 41 3HD1 ILE 5 3HD1 ILE 5 2.812 -3.687 -1.750 42 H SER 6 H SER 6 -0.957 -7.471 -4.369 43 HA SER 6 HA SER 6 -0.541 -9.929 -6.023 44 1HB SER 6 1HB SER 6 -0.758 -10.399 -3.522 45 2HB SER 6 2HB SER 6 -2.483 -10.028 -3.758 46 HG SER 6 HG SER 6 -1.973 -12.274 -3.996 47 H GLY 7 H GLY 7 -2.609 -7.168 -5.495 48 1HA GLY 7 1HA GLY 7 -3.847 -6.310 -7.362 49 2HA GLY 7 2HA GLY 7 -3.900 -7.938 -7.989 50 H LYS 8 H LYS 8 -4.598 -8.044 -4.858 51 HA LYS 8 HA LYS 8 -7.408 -8.689 -5.181 52 1HB LYS 8 1HB LYS 8 -7.299 -9.449 -3.002 53 2HB LYS 8 2HB LYS 8 -5.613 -9.586 -3.551 54 1HG LYS 8 1HG LYS 8 -4.964 -7.611 -2.329 55 2HG LYS 8 2HG LYS 8 -6.624 -7.264 -1.845 56 1HD LYS 8 1HD LYS 8 -5.115 -9.793 -1.086 57 2HD LYS 8 2HD LYS 8 -5.231 -8.365 -0.067 58 1HE LYS 8 1HE LYS 8 -7.598 -10.051 -0.982 59 2HE LYS 8 2HE LYS 8 -6.789 -10.184 0.578 60 1HZ LYS 8 1HZ LYS 8 -7.415 -7.847 1.023 61 2HZ LYS 8 2HZ LYS 8 -8.249 -7.775 -0.383 62 3HZ LYS 8 3HZ LYS 8 -8.736 -8.800 0.781 63 H VAL 9 H VAL 9 -9.177 -7.771 -3.977 64 HA VAL 9 HA VAL 9 -9.335 -4.854 -4.060 65 HB VAL 9 HB VAL 9 -11.285 -6.126 -4.626 66 1HG1 VAL 9 1HG1 VAL 9 -11.534 -7.069 -1.744 67 2HG1 VAL 9 2HG1 VAL 9 -12.656 -7.360 -3.084 68 3HG1 VAL 9 3HG1 VAL 9 -11.053 -8.097 -3.114 69 1HG2 VAL 9 1HG2 VAL 9 -12.934 -4.904 -3.317 70 2HG2 VAL 9 2HG2 VAL 9 -11.734 -4.562 -2.054 71 3HG2 VAL 9 3HG2 VAL 9 -11.547 -3.869 -3.683 72 HA PRO 10 HA PRO 10 -7.296 -4.827 -0.100 73 1HB PRO 10 1HB PRO 10 -7.040 -2.168 0.370 74 2HB PRO 10 2HB PRO 10 -6.152 -3.008 -0.938 75 1HG PRO 10 1HG PRO 10 -8.724 -1.422 -1.199 76 2HG PRO 10 2HG PRO 10 -7.229 -1.292 -2.184 77 1HD PRO 10 1HD PRO 10 -9.365 -2.791 -2.978 78 2HD PRO 10 2HD PRO 10 -7.683 -3.305 -3.306 79 H ARG 11 H ARG 11 -8.109 -5.300 1.833 80 HA ARG 11 HA ARG 11 -10.734 -4.491 2.863 81 1HB ARG 11 1HB ARG 11 -8.281 -5.795 4.078 82 2HB ARG 11 2HB ARG 11 -9.730 -5.476 5.014 83 1HG ARG 11 1HG ARG 11 -10.974 -7.118 4.036 84 2HG ARG 11 2HG ARG 11 -10.153 -7.014 2.482 85 1HD ARG 11 1HD ARG 11 -9.784 -9.154 3.744 86 2HD ARG 11 2HD ARG 11 -8.337 -8.344 3.181 87 HE ARG 11 HE ARG 11 -9.241 -8.592 6.008 88 1HH1 ARG 11 2HH2 ARG 11 -6.739 -7.367 3.850 89 2HH1 ARG 11 1HH2 ARG 11 -5.558 -7.344 5.156 90 1HH2 ARG 11 2HH1 ARG 11 -7.668 -8.469 7.577 91 2HH2 ARG 11 1HH1 ARG 11 -6.064 -7.927 7.140 92 H ARG 12 H ARG 12 -7.340 -3.547 3.454 93 HA ARG 12 HA ARG 12 -8.274 -0.901 4.495 94 1HB ARG 12 1HB ARG 12 -7.390 -2.260 6.304 95 2HB ARG 12 2HB ARG 12 -5.913 -2.592 5.384 96 1HG ARG 12 1HG ARG 12 -5.378 -0.201 5.355 97 2HG ARG 12 2HG ARG 12 -6.880 0.178 6.181 98 1HD ARG 12 1HD ARG 12 -4.809 -1.672 7.429 99 2HD ARG 12 2HD ARG 12 -4.641 0.076 7.516 100 HE ARG 12 HE ARG 12 -7.005 -1.419 8.609 101 1HH1 ARG 12 2HH1 ARG 12 -4.668 1.250 9.070 102 2HH1 ARG 12 1HH1 ARG 12 -5.534 1.735 10.511 103 1HH2 ARG 12 2HH2 ARG 12 -7.917 -0.664 10.471 104 2HH2 ARG 12 1HH2 ARG 12 -7.224 0.742 11.244 105 HA PRO 13 HA PRO 13 -6.005 -0.130 0.560 106 1HB PRO 13 1HB PRO 13 -7.122 2.399 0.143 107 2HB PRO 13 2HB PRO 13 -7.755 0.855 -0.481 108 1HG PRO 13 1HG PRO 13 -8.571 2.289 2.065 109 2HG PRO 13 2HG PRO 13 -9.627 1.580 0.792 110 1HD PRO 13 1HD PRO 13 -9.199 0.134 2.967 111 2HD PRO 13 2HD PRO 13 -8.908 -0.640 1.365 112 H VAL 14 H VAL 14 -4.142 0.524 0.569 113 HA VAL 14 HA VAL 14 -3.158 2.842 2.183 114 HB VAL 14 HB VAL 14 -2.889 0.267 3.097 115 1HG1 VAL 14 1HG1 VAL 14 -1.402 -0.540 1.453 116 2HG1 VAL 14 2HG1 VAL 14 -0.272 0.841 1.666 117 3HG1 VAL 14 3HG1 VAL 14 -0.486 -0.337 2.948 118 1HG2 VAL 14 1HG2 VAL 14 -2.578 2.088 4.489 119 2HG2 VAL 14 2HG2 VAL 14 -1.106 1.158 4.577 120 3HG2 VAL 14 3HG2 VAL 14 -1.131 2.655 3.604 121 H LEU 15 H LEU 15 -1.362 3.903 1.422 122 HA LEU 15 HA LEU 15 -0.366 3.200 -1.316 123 1HB LEU 15 1HB LEU 15 -2.146 4.746 -1.494 124 2HB LEU 15 2HB LEU 15 -1.541 5.789 -0.223 125 HG LEU 15 HG LEU 15 0.140 5.425 -2.714 126 1HD1 LEU 15 1HD1 LEU 15 -2.309 7.229 -2.484 127 2HD1 LEU 15 2HD1 LEU 15 -1.094 7.286 -3.786 128 3HD1 LEU 15 3HD1 LEU 15 -2.109 5.856 -3.589 129 1HD2 LEU 15 1HD2 LEU 15 0.746 7.752 -2.284 130 2HD2 LEU 15 2HD2 LEU 15 -0.469 7.881 -0.998 131 3HD2 LEU 15 3HD2 LEU 15 0.955 6.860 -0.774 132 H SER 16 H SER 16 1.626 4.088 -1.908 133 HA SER 16 HA SER 16 3.382 5.307 0.156 134 1HB SER 16 1HB SER 16 4.117 2.969 -0.095 135 2HB SER 16 2HB SER 16 4.174 3.176 -1.861 136 HG SER 16 HG SER 16 6.185 3.448 -1.120 137 HA PRO 17 HA PRO 17 3.226 8.283 -3.135 138 1HB PRO 17 1HB PRO 17 5.272 9.996 -2.476 139 2HB PRO 17 2HB PRO 17 3.742 9.868 -1.560 140 1HG PRO 17 1HG PRO 17 6.387 8.496 -0.959 141 2HG PRO 17 2HG PRO 17 5.352 9.440 0.162 142 1HD PRO 17 1HD PRO 17 5.223 6.740 0.074 143 2HD PRO 17 2HD PRO 17 3.735 7.715 0.266 144 H LYS 18 H LYS 18 5.797 6.126 -2.871 145 HA LYS 18 HA LYS 18 7.415 6.993 -5.191 146 1HB LYS 18 1HB LYS 18 7.410 4.616 -3.330 147 2HB LYS 18 2HB LYS 18 8.422 4.645 -4.772 148 1HG LYS 18 1HG LYS 18 9.819 6.293 -3.987 149 2HG LYS 18 2HG LYS 18 8.604 7.033 -2.938 150 1HD LYS 18 1HD LYS 18 9.643 4.246 -2.374 151 2HD LYS 18 2HD LYS 18 10.540 5.674 -1.820 152 1HE LYS 18 1HE LYS 18 8.895 6.315 -0.315 153 2HE LYS 18 2HE LYS 18 7.594 5.594 -1.269 154 1HZ LYS 18 1HZ LYS 18 8.307 3.407 -0.588 155 2HZ LYS 18 2HZ LYS 18 9.538 3.988 0.319 156 3HZ LYS 18 3HZ LYS 18 7.975 4.313 0.718 157 H SER 19 H SER 19 5.525 3.948 -4.610 158 HA SER 19 HA SER 19 5.126 3.412 -7.396 159 1HB SER 19 1HB SER 19 3.546 2.492 -4.962 160 2HB SER 19 2HB SER 19 3.468 1.791 -6.588 161 HG SER 19 HG SER 19 5.602 1.810 -4.726 162 H ARG 20 H ARG 20 3.266 5.209 -4.993 163 HA ARG 20 HA ARG 20 1.441 6.502 -4.970 164 1HB ARG 20 1HB ARG 20 2.881 7.586 -6.794 165 2HB ARG 20 2HB ARG 20 1.722 6.934 -7.953 166 1HG ARG 20 1HG ARG 20 -0.082 8.277 -6.927 167 2HG ARG 20 2HG ARG 20 0.990 8.747 -5.601 168 1HD ARG 20 1HD ARG 20 0.829 10.582 -7.176 169 2HD ARG 20 2HD ARG 20 2.470 9.920 -7.198 170 HE ARG 20 HE ARG 20 0.677 8.788 -9.233 171 1HH1 ARG 20 2HH2 ARG 20 2.912 11.423 -8.683 172 2HH1 ARG 20 1HH2 ARG 20 3.215 11.633 -10.389 173 1HH2 ARG 20 2HH1 ARG 20 1.108 9.093 -11.369 174 2HH2 ARG 20 1HH1 ARG 20 2.201 10.354 -11.865 175 H THR 21 H THR 21 1.260 3.551 -6.222 176 HA THR 21 HA THR 21 -1.488 3.359 -7.114 177 HB THR 21 HB THR 21 -0.976 0.950 -6.972 178 HG1 THR 21 1HG THR 21 0.379 0.951 -5.153 179 1HG2 THR 21 1HG2 THR 21 1.524 2.266 -8.074 180 2HG2 THR 21 2HG2 THR 21 0.700 0.798 -8.631 181 3HG2 THR 21 3HG2 THR 21 -0.048 2.383 -8.919 182 H ILE 22 H ILE 22 -2.874 1.603 -5.825 183 HA ILE 22 HA ILE 22 -2.657 2.077 -2.879 184 HB ILE 22 HB ILE 22 -5.212 1.827 -4.454 185 1HG1 ILE 22 1HG1 ILE 22 -4.089 4.247 -2.958 186 2HG1 ILE 22 2HG1 ILE 22 -4.104 4.073 -4.712 187 1HG2 ILE 22 1HG2 ILE 22 -6.323 2.202 -2.278 188 2HG2 ILE 22 2HG2 ILE 22 -5.300 0.781 -2.184 189 3HG2 ILE 22 3HG2 ILE 22 -4.740 2.309 -1.474 190 1HD1 ILE 22 1HD1 ILE 22 -6.547 4.335 -2.936 191 2HD1 ILE 22 2HD1 ILE 22 -5.921 5.493 -4.114 192 3HD1 ILE 22 3HD1 ILE 22 -6.596 3.950 -4.674 193 H PHE 23 H PHE 23 -2.157 0.341 -1.926 194 HA PHE 23 HA PHE 23 -2.972 -2.346 -2.939 195 1HB PHE 23 1HB PHE 23 -0.820 -2.967 -1.408 196 2HB PHE 23 2HB PHE 23 -0.844 -2.832 -3.153 197 HD1 PHE 23 1HD PHE 23 0.718 -1.554 -4.202 198 HD2 PHE 23 2HD PHE 23 -0.101 -0.935 -0.132 199 HE1 PHE 23 1HE PHE 23 2.433 0.249 -4.210 200 HE2 PHE 23 2HE PHE 23 1.518 1.065 -0.088 201 HZ PHE 23 HZ PHE 23 2.795 1.591 -2.150 202 H GLU 24 H GLU 24 -2.936 -3.986 -1.237 203 HA GLU 24 HA GLU 24 -4.747 -3.286 0.934 204 1HB GLU 24 1HB GLU 24 -4.863 -5.433 -0.241 205 2HB GLU 24 2HB GLU 24 -3.163 -5.691 0.113 206 1HG GLU 24 1HG GLU 24 -4.380 -7.128 1.575 207 2HG GLU 24 2HG GLU 24 -3.743 -5.842 2.565 208 H LYS 25 H LYS 25 -4.092 -2.839 3.097 209 HA LYS 25 HA LYS 25 -1.411 -2.044 3.683 210 1HB LYS 25 1HB LYS 25 -3.485 -1.267 4.797 211 2HB LYS 25 2HB LYS 25 -3.557 -2.784 5.695 212 1HG LYS 25 1HG LYS 25 -1.035 -1.077 5.742 213 2HG LYS 25 2HG LYS 25 -2.444 -0.575 6.668 214 1HD LYS 25 1HD LYS 25 -2.453 -2.743 7.884 215 2HD LYS 25 2HD LYS 25 -0.965 -3.211 7.030 216 1HE LYS 25 1HE LYS 25 0.203 -1.243 7.940 217 2HE LYS 25 2HE LYS 25 -1.281 -0.707 8.740 218 1HZ LYS 25 1HZ LYS 25 0.176 -1.900 10.274 219 2HZ LYS 25 2HZ LYS 25 -1.213 -2.740 10.084 220 3HZ LYS 25 3HZ LYS 25 0.159 -3.245 9.345 221 H SER 26 H SER 26 -3.211 -4.985 4.361 222 HA SER 26 HA SER 26 -1.222 -6.355 5.787 223 1HB SER 26 1HB SER 26 -3.330 -7.661 4.031 224 2HB SER 26 2HB SER 26 -2.502 -8.387 5.414 225 HG SER 26 HG SER 26 -3.477 -6.748 6.734 226 H LEU 27 H LEU 27 -1.770 -6.367 2.169 227 HA LEU 27 HA LEU 27 0.273 -8.355 1.727 228 1HB LEU 27 1HB LEU 27 -1.030 -6.401 -0.202 229 2HB LEU 27 2HB LEU 27 -0.034 -7.772 -0.590 230 HG LEU 27 HG LEU 27 -2.895 -7.676 -0.131 231 1HD1 LEU 27 1HD1 LEU 27 -1.770 -8.405 -2.139 232 2HD1 LEU 27 2HD1 LEU 27 -1.077 -9.784 -1.243 233 3HD1 LEU 27 3HD1 LEU 27 -2.835 -9.669 -1.484 234 1HD2 LEU 27 1HD2 LEU 27 -3.175 -9.920 0.819 235 2HD2 LEU 27 2HD2 LEU 27 -1.469 -9.900 1.320 236 3HD2 LEU 27 3HD2 LEU 27 -2.648 -8.728 1.989 237 H LEU 28 H LEU 28 0.189 -4.780 1.660 238 HA LEU 28 HA LEU 28 2.871 -4.441 0.634 239 1HB LEU 28 1HB LEU 28 1.308 -2.539 0.791 240 2HB LEU 28 2HB LEU 28 1.390 -2.627 2.550 241 HG LEU 28 HG LEU 28 3.975 -2.325 2.297 242 1HD1 LEU 28 1HD1 LEU 28 4.690 -1.133 0.248 243 2HD1 LEU 28 2HD1 LEU 28 4.250 -2.810 -0.063 244 3HD1 LEU 28 3HD1 LEU 28 3.129 -1.506 -0.505 245 1HD2 LEU 28 1HD2 LEU 28 2.654 -0.623 3.204 246 2HD2 LEU 28 2HD2 LEU 28 3.733 0.130 2.017 247 3HD2 LEU 28 3HD2 LEU 28 2.021 -0.147 1.623 248 H GLU 29 H GLU 29 1.466 -4.737 3.935 249 HA GLU 29 HA GLU 29 3.814 -4.540 5.482 250 1HB GLU 29 1HB GLU 29 1.551 -4.513 6.388 251 2HB GLU 29 2HB GLU 29 1.390 -6.251 6.080 252 1HG GLU 29 1HG GLU 29 3.265 -6.689 7.646 253 2HG GLU 29 2HG GLU 29 3.461 -4.952 7.901 254 H GLN 30 H GLN 30 2.522 -7.388 3.801 255 HA GLN 30 HA GLN 30 4.489 -9.286 4.717 256 1HB GLN 30 1HB GLN 30 2.271 -9.703 3.481 257 2HB GLN 30 2HB GLN 30 3.134 -9.331 1.992 258 1HG GLN 30 1HG GLN 30 4.760 -11.144 2.458 259 2HG GLN 30 2HG GLN 30 3.932 -11.509 3.975 260 1HE2 GLN 30 2HE2 GLN 30 1.825 -12.598 3.889 261 2HE2 GLN 30 1HE2 GLN 30 1.296 -13.320 2.374 262 H TYR 31 H TYR 31 4.397 -7.168 1.825 263 HA TYR 31 HA TYR 31 6.873 -8.212 0.725 264 1HB TYR 31 1HB TYR 31 4.995 -7.206 -0.583 265 2HB TYR 31 2HB TYR 31 5.395 -5.629 0.091 266 HD1 TYR 31 1HD TYR 31 6.718 -4.243 -1.287 267 HD2 TYR 31 2HD TYR 31 7.138 -8.507 -1.586 268 HE1 TYR 31 1HE TYR 31 8.434 -3.965 -3.088 269 HE2 TYR 31 2HE TYR 31 8.720 -8.202 -3.524 270 HH TYR 31 HH TYR 31 9.898 -6.731 -4.785 271 H VAL 32 H VAL 32 6.042 -5.451 2.703 272 HA VAL 32 HA VAL 32 8.668 -4.333 2.563 273 HB VAL 32 HB VAL 32 6.405 -3.151 2.765 274 1HG1 VAL 32 1HG1 VAL 32 6.782 -3.317 5.771 275 2HG1 VAL 32 2HG1 VAL 32 5.349 -2.834 4.819 276 3HG1 VAL 32 3HG1 VAL 32 5.850 -4.518 4.883 277 1HG2 VAL 32 1HG2 VAL 32 8.627 -2.171 4.618 278 2HG2 VAL 32 2HG2 VAL 32 8.359 -1.752 2.906 279 3HG2 VAL 32 3HG2 VAL 32 7.212 -1.229 4.134 280 H LYS 33 H LYS 33 7.276 -6.646 4.633 281 HA LYS 33 HA LYS 33 9.577 -6.480 6.558 282 1HB LYS 33 1HB LYS 33 8.519 -7.873 8.024 283 2HB LYS 33 2HB LYS 33 7.223 -6.854 7.405 284 1HG LYS 33 1HG LYS 33 6.641 -8.764 5.819 285 2HG LYS 33 2HG LYS 33 7.809 -9.768 6.675 286 1HD LYS 33 1HD LYS 33 5.381 -8.407 7.929 287 2HD LYS 33 2HD LYS 33 5.455 -10.098 7.421 288 1HE LYS 33 1HE LYS 33 7.323 -10.498 9.015 289 2HE LYS 33 2HE LYS 33 7.221 -8.817 9.552 290 1HZ LYS 33 1HZ LYS 33 5.036 -10.816 9.816 291 2HZ LYS 33 2HZ LYS 33 5.985 -10.280 11.034 292 3HZ LYS 33 3HZ LYS 33 4.946 -9.256 10.306 293 H ASP 34 H ASP 34 8.735 -7.996 3.681 294 HA ASP 34 HA ASP 34 10.612 -10.244 3.770 295 1HB ASP 34 1HB ASP 34 8.660 -9.129 1.912 296 2HB ASP 34 2HB ASP 34 10.156 -9.346 1.074 297 H THR 35 H THR 35 10.599 -7.106 2.069 298 HA THR 35 HA THR 35 13.614 -7.003 2.132 299 HB THR 35 HB THR 35 13.597 -6.059 -0.124 300 HG1 THR 35 1HG THR 35 10.878 -6.830 -0.260 301 1HG2 THR 35 1HG2 THR 35 13.900 -8.509 0.076 302 2HG2 THR 35 2HG2 THR 35 12.152 -8.739 -0.123 303 3HG2 THR 35 3HG2 THR 35 13.111 -8.032 -1.441 304 H GLY 36 H GLY 36 10.575 -5.333 2.389 305 1HA GLY 36 1HA GLY 36 10.189 -3.233 3.321 306 2HA GLY 36 2HA GLY 36 11.888 -2.818 3.211 307 H ASN 37 H ASN 37 11.340 -4.023 0.208 308 HA ASN 37 HA ASN 37 11.545 -1.422 -0.990 309 1HB ASN 37 1HB ASN 37 10.966 -4.211 -2.085 310 2HB ASN 37 2HB ASN 37 11.309 -2.822 -3.085 311 1HD2 ASN 37 1HD2 ASN 37 12.856 -5.153 -3.220 312 2HD2 ASN 37 2HD2 ASN 37 14.464 -4.722 -2.646 313 H ASP 38 H ASP 38 10.142 -0.216 -2.246 314 HA ASP 38 HA ASP 38 7.271 -0.538 -2.020 315 1HB ASP 38 1HB ASP 38 9.101 1.308 -3.440 316 2HB ASP 38 2HB ASP 38 7.755 0.847 -4.430 317 HA PRO 39 HA PRO 39 6.858 -3.964 -4.771 318 1HB PRO 39 1HB PRO 39 4.265 -3.800 -5.628 319 2HB PRO 39 2HB PRO 39 4.745 -4.170 -3.945 320 1HG PRO 39 1HG PRO 39 3.987 -1.463 -5.101 321 2HG PRO 39 2HG PRO 39 3.328 -2.262 -3.635 322 1HD PRO 39 1HD PRO 39 5.281 -0.427 -3.434 323 2HD PRO 39 2HD PRO 39 5.326 -1.905 -2.419 324 H ILE 40 H ILE 40 6.918 -0.854 -6.168 325 HA ILE 40 HA ILE 40 6.988 -2.001 -8.954 326 HB ILE 40 HB ILE 40 5.560 0.474 -7.973 327 1HG1 ILE 40 1HG1 ILE 40 4.505 -1.610 -9.918 328 2HG1 ILE 40 2HG1 ILE 40 4.514 -1.971 -8.200 329 1HG2 ILE 40 1HG2 ILE 40 6.789 1.249 -9.929 330 2HG2 ILE 40 2HG2 ILE 40 6.310 -0.192 -10.855 331 3HG2 ILE 40 3HG2 ILE 40 5.109 1.023 -10.385 332 1HD1 ILE 40 1HD1 ILE 40 3.143 -0.096 -7.660 333 2HD1 ILE 40 2HD1 ILE 40 3.169 0.495 -9.340 334 3HD1 ILE 40 3HD1 ILE 40 2.363 -1.035 -8.950 335 H THR 41 H THR 41 8.097 0.729 -6.872 336 HA THR 41 HA THR 41 10.189 1.405 -8.840 337 HB THR 41 HB THR 41 10.907 3.108 -7.212 338 HG1 THR 41 1HG THR 41 8.551 2.278 -5.950 339 1HG2 THR 41 1HG2 THR 41 7.925 3.189 -7.878 340 2HG2 THR 41 2HG2 THR 41 8.955 4.570 -7.443 341 3HG2 THR 41 3HG2 THR 41 9.244 3.689 -8.957 342 H ASN 42 H ASN 42 9.876 -0.829 -6.272 343 HA ASN 42 HA ASN 42 11.070 -1.762 -4.770 344 1HB ASN 42 1HB ASN 42 12.765 -3.134 -5.490 345 2HB ASN 42 2HB ASN 42 11.645 -2.976 -6.817 346 1HD2 ASN 42 1HD2 ASN 42 14.710 -1.485 -5.650 347 2HD2 ASN 42 2HD2 ASN 42 15.419 -1.372 -7.269 348 H GLU 43 H GLU 43 11.290 1.116 -4.681 349 HA GLU 43 HA GLU 43 13.878 1.853 -3.646 350 1HB GLU 43 1HB GLU 43 11.073 2.907 -3.322 351 2HB GLU 43 2HB GLU 43 12.471 3.710 -2.600 352 1HG GLU 43 1HG GLU 43 12.674 3.058 -5.535 353 2HG GLU 43 2HG GLU 43 11.461 4.219 -5.075 354 HA PRO 44 HA PRO 44 13.526 -0.677 0.096 355 1HB PRO 44 1HB PRO 44 15.717 1.188 1.014 356 2HB PRO 44 2HB PRO 44 15.598 -0.589 1.187 357 1HG PRO 44 1HG PRO 44 17.151 0.486 -0.750 358 2HG PRO 44 2HG PRO 44 16.097 -0.918 -1.131 359 1HD PRO 44 1HD PRO 44 15.602 2.014 -1.698 360 2HD PRO 44 2HD PRO 44 15.356 0.589 -2.753 361 H LEU 45 H LEU 45 12.151 -0.509 1.653 362 HA LEU 45 HA LEU 45 10.983 0.024 3.455 363 1HB LEU 45 1HB LEU 45 12.681 2.512 3.698 364 2HB LEU 45 2HB LEU 45 11.260 2.209 4.681 365 HG LEU 45 HG LEU 45 12.275 0.024 5.430 366 1HD1 LEU 45 1HD1 LEU 45 13.996 -0.399 3.755 367 2HD1 LEU 45 2HD1 LEU 45 14.775 1.166 4.101 368 3HD1 LEU 45 3HD1 LEU 45 14.777 -0.138 5.309 369 1HD2 LEU 45 1HD2 LEU 45 13.763 1.097 7.058 370 2HD2 LEU 45 2HD2 LEU 45 13.832 2.559 6.051 371 3HD2 LEU 45 3HD2 LEU 45 12.302 2.057 6.809 372 H SER 46 H SER 46 9.035 0.880 3.875 373 HA SER 46 HA SER 46 7.718 2.547 1.819 374 1HB SER 46 1HB SER 46 7.745 -0.065 1.364 375 2HB SER 46 2HB SER 46 6.363 -0.015 2.453 376 HG SER 46 HG SER 46 6.700 1.431 0.005 377 H ILE 47 H ILE 47 7.168 0.568 4.694 378 HA ILE 47 HA ILE 47 5.029 2.001 5.713 379 HB ILE 47 HB ILE 47 7.044 0.183 7.002 380 1HG1 ILE 47 1HG1 ILE 47 5.303 -0.692 5.422 381 2HG1 ILE 47 2HG1 ILE 47 5.330 -1.452 7.012 382 1HG2 ILE 47 1HG2 ILE 47 4.745 1.472 8.512 383 2HG2 ILE 47 2HG2 ILE 47 5.619 0.014 9.039 384 3HG2 ILE 47 3HG2 ILE 47 6.482 1.547 8.887 385 1HD1 ILE 47 1HD1 ILE 47 3.313 0.662 6.137 386 2HD1 ILE 47 2HD1 ILE 47 3.039 -1.087 6.129 387 3HD1 ILE 47 3HD1 ILE 47 3.301 -0.247 7.666 388 H GLU 48 H GLU 48 8.390 2.915 6.078 389 HA GLU 48 HA GLU 48 8.028 4.963 7.976 390 1HB GLU 48 1HB GLU 48 10.188 4.855 7.803 391 2HB GLU 48 2HB GLU 48 10.064 3.516 6.750 392 1HG GLU 48 1HG GLU 48 10.209 4.846 4.782 393 2HG GLU 48 2HG GLU 48 10.258 6.363 5.708 394 H GLU 49 H GLU 49 6.871 4.610 4.820 395 HA GLU 49 HA GLU 49 6.467 7.564 4.461 396 1HB GLU 49 1HB GLU 49 7.225 5.463 2.395 397 2HB GLU 49 2HB GLU 49 6.594 7.044 1.948 398 1HG GLU 49 1HG GLU 49 9.172 6.515 3.458 399 2HG GLU 49 2HG GLU 49 9.021 6.971 1.770 400 H ILE 50 H ILE 50 4.927 4.960 5.324 401 HA ILE 50 HA ILE 50 2.865 4.502 3.558 402 HB ILE 50 HB ILE 50 3.539 3.203 5.582 403 1HG1 ILE 50 1HG1 ILE 50 1.298 2.206 6.004 404 2HG1 ILE 50 2HG1 ILE 50 0.577 3.486 5.027 405 1HG2 ILE 50 1HG2 ILE 50 3.241 5.025 7.281 406 2HG2 ILE 50 2HG2 ILE 50 1.484 4.824 7.118 407 3HG2 ILE 50 3HG2 ILE 50 2.486 3.483 7.705 408 1HD1 ILE 50 1HD1 ILE 50 1.117 1.221 3.884 409 2HD1 ILE 50 2HD1 ILE 50 1.685 2.671 3.033 410 3HD1 ILE 50 3HD1 ILE 50 2.814 1.684 3.989 411 H VAL 51 H VAL 51 1.140 5.306 2.942 412 HA VAL 51 HA VAL 51 -0.373 7.434 4.442 413 HB VAL 51 HB VAL 51 -0.216 7.125 1.423 414 1HG1 VAL 51 1HG1 VAL 51 -1.463 9.272 1.393 415 2HG1 VAL 51 2HG1 VAL 51 -2.408 7.995 2.154 416 3HG1 VAL 51 3HG1 VAL 51 -1.600 9.213 3.167 417 1HG2 VAL 51 1HG2 VAL 51 0.967 9.262 3.241 418 2HG2 VAL 51 2HG2 VAL 51 1.874 8.080 2.274 419 3HG2 VAL 51 3HG2 VAL 51 0.924 9.324 1.464 420 H GLU 52 H GLU 52 -1.781 6.025 5.538 421 HA GLU 52 HA GLU 52 -3.287 4.018 3.996 422 1HB GLU 52 1HB GLU 52 -4.336 4.826 6.655 423 2HB GLU 52 2HB GLU 52 -4.199 3.237 5.887 424 1HG GLU 52 1HG GLU 52 -1.781 3.189 6.437 425 2HG GLU 52 2HG GLU 52 -1.925 4.768 7.217 426 H ILE 53 H ILE 53 -5.225 4.211 3.044 427 HA ILE 53 HA ILE 53 -6.348 6.901 2.659 428 HB ILE 53 HB ILE 53 -6.995 4.141 1.598 429 1HG1 ILE 53 1HG1 ILE 53 -6.611 5.263 -0.612 430 2HG1 ILE 53 2HG1 ILE 53 -6.172 6.747 0.231 431 1HG2 ILE 53 1HG2 ILE 53 -9.197 5.137 1.845 432 2HG2 ILE 53 2HG2 ILE 53 -8.637 6.642 1.076 433 3HG2 ILE 53 3HG2 ILE 53 -8.747 5.135 0.146 434 1HD1 ILE 53 1HD1 ILE 53 -4.252 5.404 -0.633 435 2HD1 ILE 53 2HD1 ILE 53 -4.159 5.683 1.108 436 3HD1 ILE 53 3HD1 ILE 53 -4.682 4.096 0.486 437 H VAL 54 H VAL 54 -7.180 4.036 4.545 438 HA VAL 54 HA VAL 54 -9.812 4.850 5.345 439 HB VAL 54 HB VAL 54 -9.628 3.218 7.148 440 1HG1 VAL 54 1HG1 VAL 54 -10.132 2.463 4.833 441 2HG1 VAL 54 2HG1 VAL 54 -8.405 2.107 4.591 442 3HG1 VAL 54 3HG1 VAL 54 -9.338 1.224 5.816 443 1HG2 VAL 54 1HG2 VAL 54 -6.724 2.784 6.325 444 2HG2 VAL 54 2HG2 VAL 54 -7.262 3.538 7.842 445 3HG2 VAL 54 3HG2 VAL 54 -7.657 1.857 7.525 446 HA PRO 55 HA PRO 55 -8.819 7.867 8.540 447 1HB PRO 55 1HB PRO 55 -11.092 7.876 10.043 448 2HB PRO 55 2HB PRO 55 -11.031 8.529 8.379 449 1HG PRO 55 1HG PRO 55 -11.981 5.785 9.264 450 2HG PRO 55 2HG PRO 55 -12.801 6.939 8.166 451 1HD PRO 55 1HD PRO 55 -11.288 4.871 7.231 452 2HD PRO 55 2HD PRO 55 -11.336 6.452 6.396 453 H SER 56 H SER 56 -9.802 4.587 9.379 454 HA SER 56 HA SER 56 -8.965 4.575 12.157 455 1HB SER 56 1HB SER 56 -9.280 2.108 11.880 456 2HB SER 56 2HB SER 56 -10.680 3.068 11.385 457 HG SER 56 HG SER 56 -10.196 1.469 9.835 Start of MODEL 20 1 H MET 1 H MET 1 -9.840 0.880 -6.536 2 HA MET 1 HA MET 1 -8.108 0.476 -8.803 3 1HB MET 1 1HB MET 1 -7.287 2.655 -7.909 4 2HB MET 1 2HB MET 1 -6.914 1.876 -6.371 5 1HG MET 1 1HG MET 1 -5.253 0.453 -7.435 6 2HG MET 1 2HG MET 1 -5.709 1.042 -9.037 7 1HE MET 1 1HE MET 1 -4.182 4.605 -9.184 8 2HE MET 1 2HE MET 1 -5.017 3.300 -10.060 9 3HE MET 1 3HE MET 1 -5.870 4.218 -8.791 10 H LEU 2 H LEU 2 -6.556 -1.238 -8.442 11 HA LEU 2 HA LEU 2 -7.033 -2.960 -6.053 12 1HB LEU 2 1HB LEU 2 -6.651 -3.832 -8.954 13 2HB LEU 2 2HB LEU 2 -6.787 -4.925 -7.581 14 HG LEU 2 HG LEU 2 -9.009 -3.069 -8.544 15 1HD1 LEU 2 1HD1 LEU 2 -10.071 -5.137 -9.347 16 2HD1 LEU 2 2HD1 LEU 2 -8.505 -4.888 -10.137 17 3HD1 LEU 2 3HD1 LEU 2 -8.660 -6.085 -8.831 18 1HD2 LEU 2 1HD2 LEU 2 -9.009 -5.304 -6.466 19 2HD2 LEU 2 2HD2 LEU 2 -9.214 -3.565 -6.134 20 3HD2 LEU 2 3HD2 LEU 2 -10.445 -4.431 -7.057 21 H CYS 3 H CYS 3 -5.449 -4.503 -5.502 22 HA CYS 3 HA CYS 3 -3.159 -3.019 -4.942 23 1HB CYS 3 1HB CYS 3 -4.181 -4.612 -3.412 24 2HB CYS 3 2HB CYS 3 -4.034 -5.866 -4.599 25 HG CYS 3 HG CYS 3 -2.478 -6.734 -2.952 26 H ALA 4 H ALA 4 -1.220 -3.078 -5.433 27 HA ALA 4 HA ALA 4 -0.485 -3.932 -8.205 28 1HB ALA 4 1HB ALA 4 1.348 -2.456 -8.136 29 2HB ALA 4 2HB ALA 4 -0.022 -1.587 -7.423 30 3HB ALA 4 3HB ALA 4 1.271 -2.258 -6.390 31 H ILE 5 H ILE 5 -0.007 -4.963 -5.003 32 HA ILE 5 HA ILE 5 2.405 -6.591 -5.486 33 HB ILE 5 HB ILE 5 0.556 -6.250 -3.096 34 1HG1 ILE 5 1HG1 ILE 5 3.454 -5.390 -3.460 35 2HG1 ILE 5 2HG1 ILE 5 2.075 -4.329 -3.778 36 1HG2 ILE 5 1HG2 ILE 5 1.573 -8.573 -3.132 37 2HG2 ILE 5 2HG2 ILE 5 3.177 -7.845 -3.322 38 3HG2 ILE 5 3HG2 ILE 5 2.251 -7.600 -1.831 39 1HD1 ILE 5 1HD1 ILE 5 1.284 -4.694 -1.424 40 2HD1 ILE 5 2HD1 ILE 5 2.825 -5.541 -1.116 41 3HD1 ILE 5 3HD1 ILE 5 2.821 -3.835 -1.574 42 H SER 6 H SER 6 -1.105 -7.241 -4.837 43 HA SER 6 HA SER 6 -0.779 -9.942 -6.105 44 1HB SER 6 1HB SER 6 -2.551 -10.674 -4.566 45 2HB SER 6 2HB SER 6 -1.095 -10.112 -3.730 46 HG SER 6 HG SER 6 -3.004 -9.205 -2.817 47 H GLY 7 H GLY 7 -2.886 -7.059 -5.909 48 1HA GLY 7 1HA GLY 7 -4.574 -6.541 -7.552 49 2HA GLY 7 2HA GLY 7 -4.621 -8.253 -7.929 50 H LYS 8 H LYS 8 -4.548 -7.978 -4.661 51 HA LYS 8 HA LYS 8 -7.151 -8.901 -4.014 52 1HB LYS 8 1HB LYS 8 -5.048 -8.984 -2.617 53 2HB LYS 8 2HB LYS 8 -5.165 -7.249 -2.375 54 1HG LYS 8 1HG LYS 8 -5.965 -8.246 -0.401 55 2HG LYS 8 2HG LYS 8 -7.431 -7.708 -1.226 56 1HD LYS 8 1HD LYS 8 -7.833 -10.011 -2.036 57 2HD LYS 8 2HD LYS 8 -6.276 -10.538 -1.363 58 1HE LYS 8 1HE LYS 8 -7.067 -9.918 0.924 59 2HE LYS 8 2HE LYS 8 -8.639 -9.467 0.247 60 1HZ LYS 8 1HZ LYS 8 -8.886 -11.795 -0.496 61 2HZ LYS 8 2HZ LYS 8 -7.443 -12.190 0.150 62 3HZ LYS 8 3HZ LYS 8 -8.671 -11.734 1.120 63 H VAL 9 H VAL 9 -9.037 -7.895 -3.607 64 HA VAL 9 HA VAL 9 -9.537 -5.072 -4.167 65 HB VAL 9 HB VAL 9 -11.330 -7.088 -2.762 66 1HG1 VAL 9 1HG1 VAL 9 -13.137 -5.514 -3.396 67 2HG1 VAL 9 2HG1 VAL 9 -11.987 -4.749 -2.298 68 3HG1 VAL 9 3HG1 VAL 9 -11.932 -4.378 -4.040 69 1HG2 VAL 9 1HG2 VAL 9 -11.285 -6.216 -5.681 70 2HG2 VAL 9 2HG2 VAL 9 -10.827 -7.818 -5.071 71 3HG2 VAL 9 3HG2 VAL 9 -12.497 -7.265 -4.921 72 HA PRO 10 HA PRO 10 -7.399 -4.317 -0.296 73 1HB PRO 10 1HB PRO 10 -8.372 -1.494 -0.646 74 2HB PRO 10 2HB PRO 10 -6.733 -2.106 -0.251 75 1HG PRO 10 1HG PRO 10 -7.307 -1.274 -2.763 76 2HG PRO 10 2HG PRO 10 -6.351 -2.774 -2.502 77 1HD PRO 10 1HD PRO 10 -9.318 -2.515 -3.074 78 2HD PRO 10 2HD PRO 10 -8.119 -3.581 -3.841 79 H ARG 11 H ARG 11 -8.113 -4.909 1.587 80 HA ARG 11 HA ARG 11 -10.838 -4.391 2.633 81 1HB ARG 11 1HB ARG 11 -8.468 -5.826 3.918 82 2HB ARG 11 2HB ARG 11 -10.129 -5.800 4.504 83 1HG ARG 11 1HG ARG 11 -9.094 -7.176 1.984 84 2HG ARG 11 2HG ARG 11 -9.682 -7.925 3.470 85 1HD ARG 11 1HD ARG 11 -11.925 -6.753 2.999 86 2HD ARG 11 2HD ARG 11 -11.306 -6.410 1.383 87 HE ARG 11 HE ARG 11 -12.121 -9.015 2.512 88 1HH1 ARG 11 2HH2 ARG 11 -10.532 -7.541 -0.292 89 2HH1 ARG 11 1HH2 ARG 11 -10.899 -8.947 -1.258 90 1HH2 ARG 11 2HH1 ARG 11 -12.486 -10.708 1.196 91 2HH2 ARG 11 1HH1 ARG 11 -11.950 -10.664 -0.458 92 H ARG 12 H ARG 12 -7.438 -3.596 3.398 93 HA ARG 12 HA ARG 12 -8.344 -1.016 4.610 94 1HB ARG 12 1HB ARG 12 -7.543 -2.572 6.327 95 2HB ARG 12 2HB ARG 12 -6.107 -2.914 5.377 96 1HG ARG 12 1HG ARG 12 -5.343 -1.432 6.995 97 2HG ARG 12 2HG ARG 12 -5.548 -0.424 5.566 98 1HD ARG 12 1HD ARG 12 -6.455 0.895 7.273 99 2HD ARG 12 2HD ARG 12 -7.868 0.171 6.502 100 HE ARG 12 HE ARG 12 -8.399 -0.828 8.495 101 1HH1 ARG 12 2HH2 ARG 12 -5.021 0.160 8.822 102 2HH1 ARG 12 1HH2 ARG 12 -4.985 -0.382 10.484 103 1HH2 ARG 12 2HH1 ARG 12 -8.212 -1.546 10.540 104 2HH2 ARG 12 1HH1 ARG 12 -6.732 -1.299 11.429 105 HA PRO 13 HA PRO 13 -6.011 -0.333 0.685 106 1HB PRO 13 1HB PRO 13 -6.997 2.224 0.162 107 2HB PRO 13 2HB PRO 13 -7.737 0.699 -0.376 108 1HG PRO 13 1HG PRO 13 -8.386 2.294 2.118 109 2HG PRO 13 2HG PRO 13 -9.529 1.618 0.906 110 1HD PRO 13 1HD PRO 13 -9.150 0.222 3.125 111 2HD PRO 13 2HD PRO 13 -8.940 -0.634 1.544 112 H VAL 14 H VAL 14 -4.138 0.276 0.577 113 HA VAL 14 HA VAL 14 -3.065 2.635 2.067 114 HB VAL 14 HB VAL 14 -2.661 0.395 3.302 115 1HG1 VAL 14 1HG1 VAL 14 -0.552 -0.756 2.701 116 2HG1 VAL 14 2HG1 VAL 14 -1.762 -0.946 1.412 117 3HG1 VAL 14 3HG1 VAL 14 -0.408 0.215 1.259 118 1HG2 VAL 14 1HG2 VAL 14 -0.579 1.120 4.161 119 2HG2 VAL 14 2HG2 VAL 14 -0.208 2.081 2.706 120 3HG2 VAL 14 3HG2 VAL 14 -1.505 2.558 3.805 121 H LEU 15 H LEU 15 -1.221 3.586 1.273 122 HA LEU 15 HA LEU 15 -0.406 2.937 -1.531 123 1HB LEU 15 1HB LEU 15 -2.173 4.543 -1.592 124 2HB LEU 15 2HB LEU 15 -1.490 5.511 -0.302 125 HG LEU 15 HG LEU 15 0.114 5.242 -2.841 126 1HD1 LEU 15 1HD1 LEU 15 -2.295 7.080 -2.515 127 2HD1 LEU 15 2HD1 LEU 15 -1.115 7.137 -3.837 128 3HD1 LEU 15 3HD1 LEU 15 -2.164 5.724 -3.651 129 1HD2 LEU 15 1HD2 LEU 15 0.951 6.588 -0.840 130 2HD2 LEU 15 2HD2 LEU 15 0.760 7.536 -2.315 131 3HD2 LEU 15 3HD2 LEU 15 -0.456 7.633 -1.023 132 H SER 16 H SER 16 1.633 3.851 -2.113 133 HA SER 16 HA SER 16 3.380 4.928 0.048 134 1HB SER 16 1HB SER 16 4.263 2.767 -0.299 135 2HB SER 16 2HB SER 16 4.153 2.912 -2.063 136 HG SER 16 HG SER 16 6.285 3.339 -1.171 137 HA PRO 17 HA PRO 17 3.245 8.421 -2.778 138 1HB PRO 17 1HB PRO 17 5.883 9.042 -1.436 139 2HB PRO 17 2HB PRO 17 4.524 10.146 -1.811 140 1HG PRO 17 1HG PRO 17 4.820 9.180 0.693 141 2HG PRO 17 2HG PRO 17 3.189 9.210 -0.057 142 1HD PRO 17 1HD PRO 17 5.089 6.869 0.223 143 2HD PRO 17 2HD PRO 17 3.319 6.953 0.479 144 H LYS 18 H LYS 18 5.710 6.060 -2.949 145 HA LYS 18 HA LYS 18 7.176 7.216 -5.259 146 1HB LYS 18 1HB LYS 18 7.332 4.475 -3.910 147 2HB LYS 18 2HB LYS 18 8.252 4.968 -5.326 148 1HG LYS 18 1HG LYS 18 9.729 5.229 -3.598 149 2HG LYS 18 2HG LYS 18 9.222 6.879 -3.947 150 1HD LYS 18 1HD LYS 18 7.793 6.923 -1.961 151 2HD LYS 18 2HD LYS 18 8.021 5.196 -1.698 152 1HE LYS 18 1HE LYS 18 10.131 7.370 -1.416 153 2HE LYS 18 2HE LYS 18 9.314 6.486 -0.114 154 1HZ LYS 18 1HZ LYS 18 11.292 5.460 -2.043 155 2HZ LYS 18 2HZ LYS 18 11.351 5.380 -0.404 156 3HZ LYS 18 3HZ LYS 18 10.297 4.424 -1.247 157 H SER 19 H SER 19 5.273 4.196 -4.788 158 HA SER 19 HA SER 19 4.798 3.724 -7.556 159 1HB SER 19 1HB SER 19 3.312 2.724 -5.092 160 2HB SER 19 2HB SER 19 3.277 2.008 -6.708 161 HG SER 19 HG SER 19 4.766 0.961 -5.287 162 H ARG 20 H ARG 20 2.940 5.327 -5.019 163 HA ARG 20 HA ARG 20 0.952 6.376 -4.856 164 1HB ARG 20 1HB ARG 20 1.398 7.185 -7.748 165 2HB ARG 20 2HB ARG 20 0.312 7.962 -6.587 166 1HG ARG 20 1HG ARG 20 2.266 8.420 -5.092 167 2HG ARG 20 2HG ARG 20 3.339 7.748 -6.329 168 1HD ARG 20 1HD ARG 20 2.579 9.490 -7.922 169 2HD ARG 20 2HD ARG 20 1.582 10.202 -6.630 170 HE ARG 20 HE ARG 20 4.284 9.846 -5.717 171 1HH1 ARG 20 2HH2 ARG 20 2.532 12.014 -7.837 172 2HH1 ARG 20 1HH2 ARG 20 3.687 13.302 -7.612 173 1HH2 ARG 20 2HH1 ARG 20 5.682 11.487 -5.461 174 2HH2 ARG 20 1HH1 ARG 20 5.443 13.003 -6.292 175 H THR 21 H THR 21 1.008 3.558 -6.126 176 HA THR 21 HA THR 21 -1.666 3.137 -7.173 177 HB THR 21 HB THR 21 -0.956 0.748 -6.849 178 HG1 THR 21 1HG THR 21 0.446 0.963 -5.103 179 1HG2 THR 21 1HG2 THR 21 -0.300 2.050 -8.939 180 2HG2 THR 21 2HG2 THR 21 1.283 2.341 -8.163 181 3HG2 THR 21 3HG2 THR 21 0.756 0.687 -8.526 182 H ILE 22 H ILE 22 -3.101 1.425 -5.889 183 HA ILE 22 HA ILE 22 -2.848 1.845 -2.946 184 HB ILE 22 HB ILE 22 -5.414 1.678 -4.496 185 1HG1 ILE 22 1HG1 ILE 22 -4.202 4.053 -2.997 186 2HG1 ILE 22 2HG1 ILE 22 -4.290 3.905 -4.751 187 1HG2 ILE 22 1HG2 ILE 22 -6.499 2.027 -2.309 188 2HG2 ILE 22 2HG2 ILE 22 -5.477 0.602 -2.230 189 3HG2 ILE 22 3HG2 ILE 22 -4.910 2.124 -1.517 190 1HD1 ILE 22 1HD1 ILE 22 -6.658 4.202 -2.877 191 2HD1 ILE 22 2HD1 ILE 22 -6.042 5.360 -4.062 192 3HD1 ILE 22 3HD1 ILE 22 -6.781 3.847 -4.621 193 H PHE 23 H PHE 23 -2.348 0.093 -2.055 194 HA PHE 23 HA PHE 23 -3.269 -2.547 -3.063 195 1HB PHE 23 1HB PHE 23 -1.031 -3.272 -1.677 196 2HB PHE 23 2HB PHE 23 -1.153 -3.086 -3.421 197 HD1 PHE 23 1HD PHE 23 0.751 -2.184 -4.329 198 HD2 PHE 23 2HD PHE 23 -0.588 -0.894 -0.558 199 HE1 PHE 23 1HE PHE 23 2.440 -0.386 -4.436 200 HE2 PHE 23 2HE PHE 23 1.084 1.025 -0.581 201 HZ PHE 23 HZ PHE 23 2.612 1.254 -2.549 202 H GLU 24 H GLU 24 -3.132 -4.236 -1.370 203 HA GLU 24 HA GLU 24 -4.890 -3.421 0.813 204 1HB GLU 24 1HB GLU 24 -5.315 -5.534 -0.112 205 2HB GLU 24 2HB GLU 24 -3.624 -6.000 -0.090 206 1HG GLU 24 1HG GLU 24 -5.036 -7.188 1.591 207 2HG GLU 24 2HG GLU 24 -3.610 -6.377 2.225 208 H LYS 25 H LYS 25 -4.262 -3.015 3.003 209 HA LYS 25 HA LYS 25 -1.679 -2.141 3.706 210 1HB LYS 25 1HB LYS 25 -3.661 -1.551 4.960 211 2HB LYS 25 2HB LYS 25 -3.880 -3.233 5.461 212 1HG LYS 25 1HG LYS 25 -2.945 -1.970 7.277 213 2HG LYS 25 2HG LYS 25 -1.731 -3.124 6.725 214 1HD LYS 25 1HD LYS 25 -0.510 -1.334 5.549 215 2HD LYS 25 2HD LYS 25 -1.839 -0.212 5.853 216 1HE LYS 25 1HE LYS 25 -0.237 0.391 7.440 217 2HE LYS 25 2HE LYS 25 -1.441 -0.529 8.343 218 1HZ LYS 25 1HZ LYS 25 0.834 -1.181 8.915 219 2HZ LYS 25 2HZ LYS 25 0.092 -2.463 8.260 220 3HZ LYS 25 3HZ LYS 25 1.165 -1.605 7.374 221 H SER 26 H SER 26 -3.286 -5.220 4.148 222 HA SER 26 HA SER 26 -1.273 -6.494 5.627 223 1HB SER 26 1HB SER 26 -3.165 -7.953 3.746 224 2HB SER 26 2HB SER 26 -2.320 -8.617 5.148 225 HG SER 26 HG SER 26 -4.386 -6.658 5.079 226 H LEU 27 H LEU 27 -1.644 -6.479 1.967 227 HA LEU 27 HA LEU 27 0.541 -8.170 1.432 228 1HB LEU 27 1HB LEU 27 -1.101 -6.065 -0.016 229 2HB LEU 27 2HB LEU 27 0.185 -6.917 -0.809 230 HG LEU 27 HG LEU 27 -2.354 -7.645 -0.830 231 1HD1 LEU 27 1HD1 LEU 27 0.079 -9.525 -0.754 232 2HD1 LEU 27 2HD1 LEU 27 -1.465 -9.979 -1.491 233 3HD1 LEU 27 3HD1 LEU 27 -0.516 -8.641 -2.173 234 1HD2 LEU 27 1HD2 LEU 27 -1.378 -9.501 1.335 235 2HD2 LEU 27 2HD2 LEU 27 -2.732 -8.346 1.433 236 3HD2 LEU 27 3HD2 LEU 27 -2.830 -9.712 0.338 237 H LEU 28 H LEU 28 0.281 -4.572 1.672 238 HA LEU 28 HA LEU 28 3.047 -4.269 0.771 239 1HB LEU 28 1HB LEU 28 1.565 -2.347 0.552 240 2HB LEU 28 2HB LEU 28 1.426 -2.240 2.315 241 HG LEU 28 HG LEU 28 3.881 -1.826 2.489 242 1HD1 LEU 28 1HD1 LEU 28 3.841 -1.841 -0.557 243 2HD1 LEU 28 2HD1 LEU 28 5.181 -1.250 0.440 244 3HD1 LEU 28 3HD1 LEU 28 4.753 -2.955 0.491 245 1HD2 LEU 28 1HD2 LEU 28 2.823 0.120 0.463 246 2HD2 LEU 28 2HD2 LEU 28 2.167 0.045 2.108 247 3HD2 LEU 28 3HD2 LEU 28 3.884 0.409 1.839 248 H GLU 29 H GLU 29 1.420 -4.631 3.904 249 HA GLU 29 HA GLU 29 3.697 -4.192 5.607 250 1HB GLU 29 1HB GLU 29 1.338 -4.189 6.319 251 2HB GLU 29 2HB GLU 29 1.268 -5.946 6.123 252 1HG GLU 29 1HG GLU 29 2.988 -6.215 7.869 253 2HG GLU 29 2HG GLU 29 3.152 -4.459 7.998 254 H GLN 30 H GLN 30 2.471 -7.118 4.016 255 HA GLN 30 HA GLN 30 4.413 -8.977 5.023 256 1HB GLN 30 1HB GLN 30 2.241 -9.445 3.761 257 2HB GLN 30 2HB GLN 30 3.091 -9.057 2.276 258 1HG GLN 30 1HG GLN 30 4.738 -10.857 2.728 259 2HG GLN 30 2HG GLN 30 3.907 -11.242 4.241 260 1HE2 GLN 30 1HE2 GLN 30 1.738 -12.245 4.121 261 2HE2 GLN 30 2HE2 GLN 30 1.242 -12.998 2.608 262 H TYR 31 H TYR 31 4.393 -6.911 2.113 263 HA TYR 31 HA TYR 31 6.812 -8.024 0.985 264 1HB TYR 31 1HB TYR 31 4.934 -6.931 -0.269 265 2HB TYR 31 2HB TYR 31 5.401 -5.386 0.422 266 HD1 TYR 31 1HD TYR 31 6.691 -4.009 -0.975 267 HD2 TYR 31 2HD TYR 31 6.998 -8.276 -1.382 268 HE1 TYR 31 1HE TYR 31 8.239 -3.728 -2.921 269 HE2 TYR 31 2HE TYR 31 8.440 -7.965 -3.424 270 HH TYR 31 HH TYR 31 9.523 -6.485 -4.765 271 H VAL 32 H VAL 32 6.077 -5.222 2.960 272 HA VAL 32 HA VAL 32 8.758 -4.236 2.789 273 HB VAL 32 HB VAL 32 6.556 -2.940 2.986 274 1HG1 VAL 32 1HG1 VAL 32 6.999 -3.156 6.001 275 2HG1 VAL 32 2HG1 VAL 32 5.674 -2.342 5.135 276 3HG1 VAL 32 3HG1 VAL 32 5.806 -4.101 5.103 277 1HG2 VAL 32 1HG2 VAL 32 8.864 -2.050 4.784 278 2HG2 VAL 32 2HG2 VAL 32 8.615 -1.675 3.055 279 3HG2 VAL 32 3HG2 VAL 32 7.503 -1.043 4.274 280 H LYS 33 H LYS 33 7.235 -6.368 4.949 281 HA LYS 33 HA LYS 33 9.513 -6.264 6.901 282 1HB LYS 33 1HB LYS 33 8.384 -7.629 8.356 283 2HB LYS 33 2HB LYS 33 7.127 -6.588 7.696 284 1HG LYS 33 1HG LYS 33 6.455 -8.471 6.164 285 2HG LYS 33 2HG LYS 33 7.694 -9.487 6.916 286 1HD LYS 33 1HD LYS 33 6.553 -9.178 9.129 287 2HD LYS 33 2HD LYS 33 5.325 -8.186 8.331 288 1HE LYS 33 1HE LYS 33 4.404 -10.370 8.619 289 2HE LYS 33 2HE LYS 33 4.697 -10.129 6.897 290 1HZ LYS 33 1HZ LYS 33 6.719 -11.483 7.126 291 2HZ LYS 33 2HZ LYS 33 6.477 -11.653 8.734 292 3HZ LYS 33 3HZ LYS 33 5.438 -12.330 7.680 293 H ASP 34 H ASP 34 8.678 -7.852 4.044 294 HA ASP 34 HA ASP 34 10.474 -10.153 4.258 295 1HB ASP 34 1HB ASP 34 8.582 -9.065 2.315 296 2HB ASP 34 2HB ASP 34 10.081 -9.382 1.518 297 H THR 35 H THR 35 10.590 -7.114 2.379 298 HA THR 35 HA THR 35 13.597 -7.082 2.496 299 HB THR 35 HB THR 35 13.630 -6.423 0.140 300 HG1 THR 35 1HG THR 35 11.804 -6.567 -1.077 301 1HG2 THR 35 1HG2 THR 35 13.208 -8.566 -0.902 302 2HG2 THR 35 2HG2 THR 35 13.939 -8.823 0.691 303 3HG2 THR 35 3HG2 THR 35 12.196 -9.088 0.453 304 H GLY 36 H GLY 36 10.624 -5.332 2.654 305 1HA GLY 36 1HA GLY 36 10.340 -3.186 3.446 306 2HA GLY 36 2HA GLY 36 12.052 -2.847 3.280 307 H ASN 37 H ASN 37 11.392 -4.135 0.352 308 HA ASN 37 HA ASN 37 11.745 -1.605 -0.914 309 1HB ASN 37 1HB ASN 37 10.860 -4.299 -2.035 310 2HB ASN 37 2HB ASN 37 11.318 -2.943 -3.037 311 1HD2 ASN 37 1HD2 ASN 37 13.691 -1.966 -2.280 312 2HD2 ASN 37 2HD2 ASN 37 14.836 -3.272 -2.046 313 H ASP 38 H ASP 38 10.467 -0.293 -2.178 314 HA ASP 38 HA ASP 38 7.577 -0.269 -1.916 315 1HB ASP 38 1HB ASP 38 9.542 1.259 -3.651 316 2HB ASP 38 2HB ASP 38 7.795 1.446 -3.830 317 HA PRO 39 HA PRO 39 6.852 -3.642 -4.717 318 1HB PRO 39 1HB PRO 39 4.339 -2.109 -5.421 319 2HB PRO 39 2HB PRO 39 4.540 -3.868 -5.117 320 1HG PRO 39 1HG PRO 39 3.653 -2.299 -3.128 321 2HG PRO 39 2HG PRO 39 4.947 -3.481 -2.786 322 1HD PRO 39 1HD PRO 39 5.205 -0.506 -3.235 323 2HD PRO 39 2HD PRO 39 6.005 -1.571 -2.034 324 H ILE 40 H ILE 40 7.242 -0.565 -6.219 325 HA ILE 40 HA ILE 40 7.212 -1.786 -8.977 326 HB ILE 40 HB ILE 40 5.864 0.717 -7.987 327 1HG1 ILE 40 1HG1 ILE 40 4.773 -1.255 -10.019 328 2HG1 ILE 40 2HG1 ILE 40 4.804 -1.735 -8.331 329 1HG2 ILE 40 1HG2 ILE 40 6.601 0.132 -10.888 330 2HG2 ILE 40 2HG2 ILE 40 5.414 1.345 -10.374 331 3HG2 ILE 40 3HG2 ILE 40 7.104 1.537 -9.917 332 1HD1 ILE 40 1HD1 ILE 40 3.416 0.055 -7.641 333 2HD1 ILE 40 2HD1 ILE 40 3.468 0.828 -9.247 334 3HD1 ILE 40 3HD1 ILE 40 2.649 -0.733 -9.035 335 H THR 41 H THR 41 8.553 0.802 -6.897 336 HA THR 41 HA THR 41 10.668 1.361 -8.899 337 HB THR 41 HB THR 41 11.361 3.118 -7.192 338 HG1 THR 41 1HG THR 41 8.702 2.653 -6.439 339 1HG2 THR 41 1HG2 THR 41 10.197 3.684 -9.293 340 2HG2 THR 41 2HG2 THR 41 8.627 3.339 -8.535 341 3HG2 THR 41 3HG2 THR 41 9.626 4.689 -7.952 342 H ASN 42 H ASN 42 10.153 -0.707 -6.237 343 HA ASN 42 HA ASN 42 11.248 -1.627 -4.655 344 1HB ASN 42 1HB ASN 42 12.866 -3.160 -5.318 345 2HB ASN 42 2HB ASN 42 11.691 -3.006 -6.601 346 1HD2 ASN 42 2HD2 ASN 42 14.913 -1.697 -5.673 347 2HD2 ASN 42 1HD2 ASN 42 15.535 -1.708 -7.331 348 H GLU 43 H GLU 43 11.643 1.134 -4.502 349 HA GLU 43 HA GLU 43 14.397 1.590 -3.580 350 1HB GLU 43 1HB GLU 43 11.946 3.125 -2.660 351 2HB GLU 43 2HB GLU 43 13.643 3.590 -2.532 352 1HG GLU 43 1HG GLU 43 13.624 3.370 -5.149 353 2HG GLU 43 2HG GLU 43 11.879 3.484 -4.976 354 HA PRO 44 HA PRO 44 13.887 -0.854 0.115 355 1HB PRO 44 1HB PRO 44 16.021 -0.046 1.641 356 2HB PRO 44 2HB PRO 44 16.170 -1.072 0.181 357 1HG PRO 44 1HG PRO 44 16.542 1.932 0.391 358 2HG PRO 44 2HG PRO 44 17.605 0.739 -0.414 359 1HD PRO 44 1HD PRO 44 15.782 2.207 -1.805 360 2HD PRO 44 2HD PRO 44 16.121 0.503 -2.236 361 H LEU 45 H LEU 45 12.514 -0.656 1.691 362 HA LEU 45 HA LEU 45 11.358 -0.043 3.495 363 1HB LEU 45 1HB LEU 45 13.067 2.451 3.734 364 2HB LEU 45 2HB LEU 45 11.656 2.113 4.702 365 HG LEU 45 HG LEU 45 12.709 -0.051 5.463 366 1HD1 LEU 45 1HD1 LEU 45 15.192 1.157 4.165 367 2HD1 LEU 45 2HD1 LEU 45 15.217 -0.136 5.384 368 3HD1 LEU 45 3HD1 LEU 45 14.468 -0.433 3.822 369 1HD2 LEU 45 1HD2 LEU 45 12.664 1.978 6.844 370 2HD2 LEU 45 2HD2 LEU 45 14.168 1.090 7.098 371 3HD2 LEU 45 3HD2 LEU 45 14.164 2.550 6.083 372 H SER 46 H SER 46 9.479 1.005 3.892 373 HA SER 46 HA SER 46 8.178 2.632 1.809 374 1HB SER 46 1HB SER 46 8.170 0.077 1.234 375 2HB SER 46 2HB SER 46 6.932 -0.014 2.475 376 HG SER 46 HG SER 46 6.871 1.548 0.104 377 H ILE 47 H ILE 47 7.830 0.614 4.640 378 HA ILE 47 HA ILE 47 5.580 1.733 5.794 379 HB ILE 47 HB ILE 47 6.789 -0.416 6.418 380 1HG1 ILE 47 1HG1 ILE 47 6.302 -0.331 8.900 381 2HG1 ILE 47 2HG1 ILE 47 5.836 1.362 8.686 382 1HG2 ILE 47 1HG2 ILE 47 9.067 0.559 6.715 383 2HG2 ILE 47 2HG2 ILE 47 8.513 1.320 8.225 384 3HG2 ILE 47 3HG2 ILE 47 8.539 -0.440 8.070 385 1HD1 ILE 47 1HD1 ILE 47 4.128 0.635 7.015 386 2HD1 ILE 47 2HD1 ILE 47 4.633 -1.048 7.234 387 3HD1 ILE 47 3HD1 ILE 47 3.880 -0.158 8.578 388 H GLU 48 H GLU 48 8.748 3.014 6.029 389 HA GLU 48 HA GLU 48 8.200 5.059 8.026 390 1HB GLU 48 1HB GLU 48 10.396 4.743 5.934 391 2HB GLU 48 2HB GLU 48 10.350 6.053 7.118 392 1HG GLU 48 1HG GLU 48 10.498 3.088 7.822 393 2HG GLU 48 2HG GLU 48 11.862 4.194 7.758 394 H GLU 49 H GLU 49 7.098 4.588 4.909 395 HA GLU 49 HA GLU 49 6.503 7.501 4.515 396 1HB GLU 49 1HB GLU 49 7.431 5.483 2.426 397 2HB GLU 49 2HB GLU 49 6.803 7.075 2.026 398 1HG GLU 49 1HG GLU 49 9.328 6.489 3.627 399 2HG GLU 49 2HG GLU 49 9.249 7.007 1.952 400 H ILE 50 H ILE 50 5.131 4.742 5.253 401 HA ILE 50 HA ILE 50 3.190 4.323 3.280 402 HB ILE 50 HB ILE 50 4.010 2.779 5.059 403 1HG1 ILE 50 1HG1 ILE 50 1.022 2.695 4.785 404 2HG1 ILE 50 2HG1 ILE 50 2.104 2.412 3.412 405 1HG2 ILE 50 1HG2 ILE 50 1.728 3.862 6.768 406 2HG2 ILE 50 2HG2 ILE 50 2.876 2.582 7.190 407 3HG2 ILE 50 3HG2 ILE 50 3.431 4.253 7.047 408 1HD1 ILE 50 1HD1 ILE 50 2.008 0.750 5.958 409 2HD1 ILE 50 2HD1 ILE 50 1.504 0.260 4.334 410 3HD1 ILE 50 3HD1 ILE 50 3.216 0.562 4.648 411 H VAL 51 H VAL 51 1.285 4.883 2.880 412 HA VAL 51 HA VAL 51 -0.262 6.868 4.546 413 HB VAL 51 HB VAL 51 -0.168 6.783 1.507 414 1HG1 VAL 51 1HG1 VAL 51 -1.395 8.924 1.660 415 2HG1 VAL 51 2HG1 VAL 51 -2.331 7.630 2.407 416 3HG1 VAL 51 3HG1 VAL 51 -1.447 8.782 3.433 417 1HG2 VAL 51 1HG2 VAL 51 0.986 8.970 1.686 418 2HG2 VAL 51 2HG2 VAL 51 1.098 8.759 3.452 419 3HG2 VAL 51 3HG2 VAL 51 1.955 7.658 2.355 420 H GLU 52 H GLU 52 -1.733 5.464 5.551 421 HA GLU 52 HA GLU 52 -3.336 3.588 3.929 422 1HB GLU 52 1HB GLU 52 -3.926 4.527 6.747 423 2HB GLU 52 2HB GLU 52 -4.665 3.176 5.856 424 1HG GLU 52 1HG GLU 52 -2.530 1.997 5.803 425 2HG GLU 52 2HG GLU 52 -1.755 3.294 6.715 426 H ILE 53 H ILE 53 -5.016 4.043 2.754 427 HA ILE 53 HA ILE 53 -5.884 6.821 2.386 428 HB ILE 53 HB ILE 53 -6.739 4.209 1.085 429 1HG1 ILE 53 1HG1 ILE 53 -4.388 4.582 0.629 430 2HG1 ILE 53 2HG1 ILE 53 -5.333 4.825 -0.823 431 1HG2 ILE 53 1HG2 ILE 53 -8.500 5.815 0.704 432 2HG2 ILE 53 2HG2 ILE 53 -7.336 7.069 0.240 433 3HG2 ILE 53 3HG2 ILE 53 -7.582 5.640 -0.790 434 1HD1 ILE 53 1HD1 ILE 53 -5.158 7.303 -0.531 435 2HD1 ILE 53 2HD1 ILE 53 -4.177 7.038 0.931 436 3HD1 ILE 53 3HD1 ILE 53 -3.583 6.516 -0.650 437 H VAL 54 H VAL 54 -7.229 3.857 3.704 438 HA VAL 54 HA VAL 54 -9.320 5.436 5.132 439 HB VAL 54 HB VAL 54 -9.868 2.696 3.933 440 1HG1 VAL 54 1HG1 VAL 54 -11.009 3.030 6.094 441 2HG1 VAL 54 2HG1 VAL 54 -11.620 4.608 5.547 442 3HG1 VAL 54 3HG1 VAL 54 -12.167 3.106 4.766 443 1HG2 VAL 54 1HG2 VAL 54 -10.983 5.437 3.195 444 2HG2 VAL 54 2HG2 VAL 54 -9.957 4.405 2.174 445 3HG2 VAL 54 3HG2 VAL 54 -11.585 3.876 2.589 446 HA PRO 55 HA PRO 55 -6.522 3.132 7.932 447 1HB PRO 55 1HB PRO 55 -6.525 4.810 10.076 448 2HB PRO 55 2HB PRO 55 -5.666 5.185 8.554 449 1HG PRO 55 1HG PRO 55 -8.437 6.108 9.394 450 2HG PRO 55 2HG PRO 55 -7.077 7.111 8.795 451 1HD PRO 55 1HD PRO 55 -9.059 6.240 7.146 452 2HD PRO 55 2HD PRO 55 -7.362 6.342 6.581 453 H SER 56 H SER 56 -9.873 3.624 8.232 454 HA SER 56 HA SER 56 -10.653 2.964 10.764 455 1HB SER 56 1HB SER 56 -11.976 2.007 8.199 456 2HB SER 56 2HB SER 56 -12.752 2.202 9.783 457 HG SER 56 HG SER 56 -13.115 4.025 8.457
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