NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623662 | 5xnd | 36086 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 0 HN SER 0 1.884 0.000 0.829 2 HA SER 0 HA SER 0 1.363 0.318 -2.009 3 HB2 SER 0 2HB SER 0 3.898 0.726 -0.362 4 HB3 SER 0 3HB SER 0 3.825 0.913 -2.103 5 HG SER 0 HG SER 0 3.041 2.878 -1.825 6 H MET 1 HN MET 1 3.178 -0.839 -3.434 7 HA MET 1 HA MET 1 2.860 -3.579 -2.953 8 HB2 MET 1 2HB MET 1 4.489 -1.891 -4.910 9 HB3 MET 1 3HB MET 1 4.609 -3.639 -4.936 10 HG2 MET 1 2HG MET 1 2.319 -3.917 -5.552 11 HG3 MET 1 3HG MET 1 1.881 -2.306 -5.021 12 HE1 MET 1 1HE MET 1 4.267 -0.275 -6.975 13 HE2 MET 1 2HE MET 1 2.577 0.072 -7.414 14 HE3 MET 1 3HE MET 1 2.992 -0.346 -5.734 15 H ALA 2 HN ALA 2 3.810 -3.752 -0.751 16 HA ALA 2 HA ALA 2 6.688 -3.414 -0.610 17 HB1 ALA 2 1HB ALA 2 6.201 -2.984 1.538 18 HB2 ALA 2 2HB ALA 2 4.481 -3.287 1.197 19 HB3 ALA 2 3HB ALA 2 5.530 -4.621 1.731 20 H PHE 3 HN PHE 3 4.236 -6.044 -0.055 21 HA PHE 3 HA PHE 3 5.998 -8.105 0.288 22 HB2 PHE 3 2HB PHE 3 3.198 -7.678 -0.785 23 HB3 PHE 3 3HB PHE 3 3.895 -9.260 -1.074 24 HD1 PHE 3 HD1 PHE 3 2.206 -7.189 1.273 25 HD2 PHE 3 HD2 PHE 3 4.785 -10.545 0.971 26 HE1 PHE 3 HE1 PHE 3 1.548 -7.902 3.587 27 HE2 PHE 3 HE2 PHE 3 4.126 -11.259 3.286 28 HZ PHE 3 HZ PHE 3 2.516 -9.929 4.566 29 H ALA 4 HN ALA 4 5.327 -6.269 -2.615 30 HA ALA 4 HA ALA 4 5.743 -8.091 -4.610 31 HB1 ALA 4 1HB ALA 4 6.561 -6.130 -5.908 32 HB2 ALA 4 2HB ALA 4 5.094 -5.757 -4.971 33 HB3 ALA 4 3HB ALA 4 6.684 -5.202 -4.394 34 H SER 5 HN SER 5 7.968 -6.938 -2.153 35 HA SER 5 HA SER 5 10.275 -7.682 -3.658 36 HB2 SER 5 2HB SER 5 9.713 -6.515 -0.952 37 HB3 SER 5 3HB SER 5 11.229 -7.375 -1.136 38 HG SER 5 HG SER 5 10.602 -4.865 -1.968 39 H VAL 6 HN VAL 6 8.499 -8.873 -0.720 40 HA VAL 6 HA VAL 6 10.131 -11.125 -0.346 41 HB VAL 6 HB VAL 6 7.234 -10.887 0.443 42 HG11 VAL 6 1HG1 VAL 6 9.659 -12.333 1.500 43 HG12 VAL 6 2HG1 VAL 6 8.287 -11.955 2.569 44 HG13 VAL 6 3HG1 VAL 6 8.038 -12.967 1.126 45 HG21 VAL 6 1HG2 VAL 6 9.596 -9.309 1.419 46 HG22 VAL 6 2HG2 VAL 6 7.912 -8.796 1.155 47 HG23 VAL 6 3HG2 VAL 6 8.328 -9.789 2.572 48 H LEU 7 HN LEU 7 6.747 -10.906 -1.672 49 HA LEU 7 HA LEU 7 7.324 -13.391 -3.114 50 HB2 LEU 7 2HB LEU 7 4.585 -12.239 -2.736 51 HB3 LEU 7 3HB LEU 7 5.062 -13.898 -3.037 52 HG LEU 7 HG LEU 7 5.917 -12.614 -0.469 53 HD11 LEU 7 1HD1 LEU 7 3.206 -12.648 -1.273 54 HD12 LEU 7 2HD1 LEU 7 3.408 -13.947 -0.073 55 HD13 LEU 7 3HD1 LEU 7 3.878 -12.279 0.334 56 HD21 LEU 7 1HD2 LEU 7 6.262 -15.108 -1.540 57 HD22 LEU 7 2HD2 LEU 7 6.349 -14.709 0.193 58 HD23 LEU 7 3HD2 LEU 7 4.838 -15.349 -0.498 59 H LYS 8 HN LYS 8 5.594 -13.352 -5.190 60 HA LYS 8 HA LYS 8 6.752 -11.283 -6.833 61 HB2 LYS 8 2HB LYS 8 6.503 -13.777 -7.424 62 HB3 LYS 8 3HB LYS 8 4.811 -13.425 -7.709 63 HG2 LYS 8 2HG LYS 8 5.259 -12.026 -9.545 64 HG3 LYS 8 3HG LYS 8 6.866 -11.615 -8.980 65 HD2 LYS 8 2HD LYS 8 6.023 -14.337 -10.085 66 HD3 LYS 8 3HD LYS 8 6.945 -13.130 -10.959 67 HE2 LYS 8 2HE LYS 8 7.806 -14.838 -8.613 68 HE3 LYS 8 3HE LYS 8 8.625 -14.578 -10.140 69 HZ1 LYS 8 1HZ LYS 8 9.654 -13.348 -8.270 70 HZ2 LYS 8 2HZ LYS 8 9.165 -12.331 -9.445 71 H ASP 9 HN ASP 9 5.817 -9.355 -7.241 72 HA ASP 9 HA ASP 9 3.529 -8.550 -6.043 73 HB2 ASP 9 2HB ASP 9 5.320 -7.147 -7.219 74 HB3 ASP 9 3HB ASP 9 4.544 -7.542 -8.740 75 HD2 ASP 9 HD2 ASP 9 1.872 -5.718 -6.554 76 H ALA 10 HN ALA 10 4.059 -10.269 -9.125 77 HA ALA 10 HA ALA 10 1.449 -9.790 -10.164 78 HB1 ALA 10 1HB ALA 10 3.264 -12.072 -10.959 79 HB2 ALA 10 2HB ALA 10 2.170 -11.100 -11.972 80 HB3 ALA 10 3HB ALA 10 3.689 -10.393 -11.370 81 H GLU 11 HN GLU 11 2.976 -12.116 -7.966 82 HA GLU 11 HA GLU 11 0.948 -14.053 -8.226 83 HB2 GLU 11 2HB GLU 11 3.256 -13.562 -6.351 84 HB3 GLU 11 3HB GLU 11 2.025 -14.709 -5.861 85 HG2 GLU 11 2HG GLU 11 2.427 -16.136 -7.733 86 HG3 GLU 11 3HG GLU 11 3.248 -14.878 -8.635 87 HE2 GLU 11 HE2 GLU 11 5.143 -16.634 -5.558 88 H VAL 12 HN VAL 12 1.767 -11.681 -5.585 89 HA VAL 12 HA VAL 12 -0.495 -12.182 -4.058 90 HB VAL 12 HB VAL 12 0.032 -10.089 -2.967 91 HG11 VAL 12 1HG1 VAL 12 2.013 -10.782 -2.055 92 HG12 VAL 12 2HG1 VAL 12 1.594 -12.254 -2.964 93 HG13 VAL 12 3HG1 VAL 12 2.764 -11.095 -3.638 94 HG21 VAL 12 1HG2 VAL 12 0.809 -8.324 -4.084 95 HG22 VAL 12 2HG2 VAL 12 2.325 -9.194 -4.421 96 HG23 VAL 12 3HG2 VAL 12 0.959 -9.315 -5.555 97 H THR 13 HN THR 13 0.004 -10.265 -7.002 98 HA THR 13 HA THR 13 -2.151 -8.558 -6.889 99 HB THR 13 HB THR 13 -0.546 -9.946 -9.041 100 HG1 THR 13 HG1 THR 13 0.007 -7.705 -9.287 101 HG21 THR 13 1HG2 THR 13 -3.163 -8.438 -9.418 102 HG22 THR 13 2HG2 THR 13 -1.860 -8.296 -10.622 103 HG23 THR 13 3HG2 THR 13 -2.585 -9.885 -10.279 104 H ALA 14 HN ALA 14 -2.116 -11.928 -8.235 105 HA ALA 14 HA ALA 14 -4.862 -11.948 -8.771 106 HB1 ALA 14 1HB ALA 14 -4.533 -14.272 -9.201 107 HB2 ALA 14 2HB ALA 14 -3.005 -13.478 -9.651 108 HB3 ALA 14 3HB ALA 14 -3.132 -14.353 -8.106 109 H ALA 15 HN ALA 15 -3.006 -12.226 -5.809 110 HA ALA 15 HA ALA 15 -5.101 -13.592 -4.384 111 HB1 ALA 15 1HB ALA 15 -3.587 -13.563 -2.565 112 HB2 ALA 15 2HB ALA 15 -2.547 -13.730 -4.000 113 HB3 ALA 15 3HB ALA 15 -2.714 -12.148 -3.201 114 H LEU 16 HN LEU 16 -4.339 -10.351 -5.375 115 HA LEU 16 HA LEU 16 -5.846 -9.178 -3.189 116 HB2 LEU 16 2HB LEU 16 -4.037 -8.198 -5.338 117 HB3 LEU 16 3HB LEU 16 -5.274 -7.099 -4.761 118 HG LEU 16 HG LEU 16 -3.407 -8.497 -2.846 119 HD11 LEU 16 1HD1 LEU 16 -1.679 -7.412 -3.737 120 HD12 LEU 16 2HD1 LEU 16 -2.729 -6.441 -4.798 121 HD13 LEU 16 3HD1 LEU 16 -2.427 -5.917 -3.124 122 HD21 LEU 16 1HD2 LEU 16 -4.154 -5.843 -2.087 123 HD22 LEU 16 2HD2 LEU 16 -5.619 -6.741 -2.553 124 HD23 LEU 16 3HD2 LEU 16 -4.539 -7.391 -1.296 125 H ASP 17 HN ASP 17 -6.171 -10.175 -6.569 126 HA ASP 17 HA ASP 17 -8.562 -8.661 -6.912 127 HB2 ASP 17 2HB ASP 17 -6.811 -9.426 -8.711 128 HB3 ASP 17 3HB ASP 17 -7.630 -10.974 -8.652 129 HD2 ASP 17 HD2 ASP 17 -8.989 -8.869 -11.317 130 H GLY 18 HN GLY 18 -7.574 -11.703 -5.555 131 HA2 GLY 18 1HA GLY 18 -9.954 -13.204 -6.132 132 HA3 GLY 18 2HA GLY 18 -8.656 -13.628 -5.034 133 H CYS 19 HN CYS 19 -9.100 -10.660 -3.916 134 HA CYS 19 HA CYS 19 -11.238 -11.508 -2.107 135 HB2 CYS 19 2HB CYS 19 -10.220 -9.818 -0.527 136 HB3 CYS 19 3HB CYS 19 -9.237 -11.230 -0.861 137 HG CYS 19 HG CYS 19 -9.107 -8.341 -2.478 138 H LYS 20 HN LYS 20 -10.218 -9.282 -4.594 139 HA LYS 20 HA LYS 20 -11.402 -6.938 -4.073 140 HB2 LYS 20 2HB LYS 20 -10.967 -8.541 -6.539 141 HB3 LYS 20 3HB LYS 20 -12.087 -7.201 -6.673 142 HG2 LYS 20 2HG LYS 20 -10.332 -5.697 -5.622 143 HG3 LYS 20 3HG LYS 20 -9.213 -7.045 -5.649 144 HD2 LYS 20 2HD LYS 20 -9.056 -5.419 -7.631 145 HD3 LYS 20 3HD LYS 20 -9.167 -7.119 -8.043 146 HE2 LYS 20 2HE LYS 20 -11.534 -6.926 -8.577 147 HE3 LYS 20 3HE LYS 20 -11.623 -5.316 -7.891 148 HZ1 LYS 20 1HZ LYS 20 -9.605 -5.411 -9.888 149 HZ2 LYS 20 2HZ LYS 20 -11.009 -5.948 -10.514 150 H ALA 21 HN ALA 21 -13.006 -10.055 -4.618 151 HA ALA 21 HA ALA 21 -15.590 -8.925 -5.011 152 HB1 ALA 21 1HB ALA 21 -15.412 -11.043 -5.927 153 HB2 ALA 21 2HB ALA 21 -14.390 -11.650 -4.602 154 HB3 ALA 21 3HB ALA 21 -16.141 -11.446 -4.354 155 H ALA 22 HN ALA 22 -16.787 -7.928 -3.478 156 HA ALA 22 HA ALA 22 -16.075 -7.699 -0.845 157 HB1 ALA 22 1HB ALA 22 -18.251 -6.740 -0.535 158 HB2 ALA 22 2HB ALA 22 -17.762 -6.358 -2.204 159 HB3 ALA 22 3HB ALA 22 -18.927 -7.669 -1.895 160 H GLY 23 HN GLY 23 -16.828 -8.676 1.129 161 HA2 GLY 23 1HA GLY 23 -17.050 -10.561 2.371 162 HA3 GLY 23 2HA GLY 23 -18.605 -10.630 1.566 163 H SER 24 HN SER 24 -15.532 -10.950 -0.225 164 HA SER 24 HA SER 24 -16.113 -13.796 -0.475 165 HB2 SER 24 2HB SER 24 -16.621 -12.179 -2.510 166 HB3 SER 24 3HB SER 24 -14.884 -12.213 -2.742 167 HG SER 24 HG SER 24 -14.942 -14.314 -3.335 168 H PHE 25 HN PHE 25 -14.075 -11.590 0.842 169 HA PHE 25 HA PHE 25 -11.550 -12.344 -0.112 170 HB2 PHE 25 2HB PHE 25 -11.798 -10.300 1.158 171 HB3 PHE 25 3HB PHE 25 -12.760 -11.088 2.394 172 HD1 PHE 25 HD1 PHE 25 -9.326 -10.731 1.075 173 HD2 PHE 25 HD2 PHE 25 -11.742 -12.056 4.303 174 HE1 PHE 25 HE1 PHE 25 -7.276 -11.001 2.499 175 HE2 PHE 25 HE2 PHE 25 -9.692 -12.325 5.726 176 HZ PHE 25 HZ PHE 25 -7.484 -11.795 4.807 177 H ASP 26 HN ASP 26 -10.337 -14.149 0.229 178 HA ASP 26 HA ASP 26 -11.135 -15.797 2.499 179 HB2 ASP 26 2HB ASP 26 -10.322 -16.541 -0.330 180 HB3 ASP 26 3HB ASP 26 -10.093 -17.688 0.975 181 HD2 ASP 26 HD2 ASP 26 -12.634 -19.113 0.284 182 H HIS 27 HN HIS 27 -9.429 -14.658 3.758 183 HA HIS 27 HA HIS 27 -6.909 -14.122 3.077 184 HB2 HIS 27 2HB HIS 27 -6.345 -14.209 5.376 185 HB3 HIS 27 3HB HIS 27 -8.027 -13.728 5.282 186 HD1 HIS 27 HD1 HIS 27 -9.783 -15.911 5.571 187 HD2 HIS 27 HD2 HIS 27 -5.909 -16.241 7.145 188 HE1 HIS 27 HE1 HIS 27 -9.868 -17.794 7.291 189 H LYS 28 HN LYS 28 -7.996 -17.336 4.389 190 HA LYS 28 HA LYS 28 -5.664 -18.682 4.289 191 HB2 LYS 28 2HB LYS 28 -8.521 -19.469 3.854 192 HB3 LYS 28 3HB LYS 28 -7.272 -20.659 3.544 193 HG2 LYS 28 2HG LYS 28 -6.314 -20.070 5.870 194 HG3 LYS 28 3HG LYS 28 -7.787 -19.163 6.151 195 HD2 LYS 28 2HD LYS 28 -9.031 -21.368 5.456 196 HD3 LYS 28 3HD LYS 28 -7.484 -22.154 5.700 197 HE2 LYS 28 2HE LYS 28 -7.476 -20.953 8.036 198 HE3 LYS 28 3HE LYS 28 -9.184 -20.687 7.750 199 HZ1 LYS 28 1HZ LYS 28 -7.794 -23.212 8.223 200 HZ2 LYS 28 2HZ LYS 28 -9.271 -22.744 8.727 201 H LYS 29 HN LYS 29 -7.946 -18.181 1.516 202 HA LYS 29 HA LYS 29 -6.353 -19.546 -0.336 203 HB2 LYS 29 2HB LYS 29 -8.670 -17.662 -0.441 204 HB3 LYS 29 3HB LYS 29 -7.761 -17.915 -1.917 205 HG2 LYS 29 2HG LYS 29 -8.544 -20.343 -0.302 206 HG3 LYS 29 3HG LYS 29 -9.792 -19.531 -1.226 207 HD2 LYS 29 2HD LYS 29 -8.934 -21.156 -2.734 208 HD3 LYS 29 3HD LYS 29 -8.174 -19.663 -3.249 209 HE2 LYS 29 2HE LYS 29 -6.607 -21.679 -3.047 210 HE3 LYS 29 3HE LYS 29 -6.082 -20.234 -2.207 211 HZ1 LYS 29 1HZ LYS 29 -7.675 -22.271 -0.779 212 HZ2 LYS 29 2HZ LYS 29 -6.063 -22.449 -0.926 213 H PHE 30 HN PHE 30 -6.405 -16.159 0.836 214 HA PHE 30 HA PHE 30 -4.765 -15.071 -1.118 215 HB2 PHE 30 2HB PHE 30 -6.156 -14.171 1.026 216 HB3 PHE 30 3HB PHE 30 -4.613 -14.340 1.839 217 HD1 PHE 30 HD1 PHE 30 -6.642 -12.062 0.261 218 HD2 PHE 30 HD2 PHE 30 -2.583 -13.298 0.333 219 HE1 PHE 30 HE1 PHE 30 -5.942 -9.811 -0.599 220 HE2 PHE 30 HE2 PHE 30 -1.883 -11.046 -0.528 221 HZ PHE 30 HZ PHE 30 -3.570 -9.330 -0.983 222 H PHE 31 HN PHE 31 -3.813 -16.069 2.254 223 HA PHE 31 HA PHE 31 -1.097 -15.809 1.843 224 HB2 PHE 31 2HB PHE 31 -2.879 -17.578 3.606 225 HB3 PHE 31 3HB PHE 31 -1.137 -17.601 3.790 226 HD1 PHE 31 HD1 PHE 31 -0.511 -14.714 3.417 227 HD2 PHE 31 HD2 PHE 31 -3.623 -16.610 5.592 228 HE1 PHE 31 HE1 PHE 31 -0.647 -12.732 4.951 229 HE2 PHE 31 HE2 PHE 31 -3.759 -14.627 7.126 230 HZ PHE 31 HZ PHE 31 -2.269 -12.712 6.787 231 H LYS 32 HN LYS 32 -3.317 -18.546 1.164 232 HA LYS 32 HA LYS 32 -1.203 -20.373 0.623 233 HB2 LYS 32 2HB LYS 32 -4.190 -20.409 0.151 234 HB3 LYS 32 3HB LYS 32 -3.143 -21.714 -0.371 235 HG2 LYS 32 2HG LYS 32 -2.432 -22.186 1.893 236 HG3 LYS 32 3HG LYS 32 -3.114 -20.690 2.498 237 HD2 LYS 32 2HD LYS 32 -5.326 -21.484 2.393 238 HD3 LYS 32 3HD LYS 32 -4.965 -22.646 1.132 239 HE2 LYS 32 2HE LYS 32 -3.677 -24.032 2.760 240 HE3 LYS 32 3HE LYS 32 -3.997 -22.861 4.024 241 HZ1 LYS 32 1HZ LYS 32 -5.962 -23.859 4.370 242 HZ2 LYS 32 2HZ LYS 32 -6.448 -23.577 2.841 243 H ALA 33 HN ALA 33 -2.861 -17.820 -1.131 244 HA ALA 33 HA ALA 33 -2.282 -18.821 -3.727 245 HB1 ALA 33 1HB ALA 33 -2.614 -16.091 -3.976 246 HB2 ALA 33 2HB ALA 33 -3.932 -17.287 -3.968 247 HB3 ALA 33 3HB ALA 33 -3.490 -16.440 -2.466 248 H CYS 34 HN CYS 34 -0.914 -16.036 -1.819 249 HA CYS 34 HA CYS 34 1.240 -15.687 -3.557 250 HB2 CYS 34 2HB CYS 34 2.216 -14.362 -1.626 251 HB3 CYS 34 3HB CYS 34 0.640 -13.849 -2.195 252 HG CYS 34 HG CYS 34 -0.528 -14.061 -0.151 253 H GLY 35 HN GLY 35 0.493 -18.055 -1.116 254 HA2 GLY 35 1HA GLY 35 1.740 -20.037 -0.939 255 HA3 GLY 35 2HA GLY 35 3.199 -19.172 -1.379 256 H LEU 36 HN LEU 36 1.854 -16.962 0.601 257 HA LEU 36 HA LEU 36 3.585 -17.132 2.637 258 HB2 LEU 36 2HB LEU 36 0.865 -16.009 2.308 259 HB3 LEU 36 3HB LEU 36 1.446 -16.155 3.955 260 HG LEU 36 HG LEU 36 2.912 -14.702 1.736 261 HD11 LEU 36 1HD1 LEU 36 2.225 -12.638 2.962 262 HD12 LEU 36 2HD1 LEU 36 0.883 -13.512 2.186 263 HD13 LEU 36 3HD1 LEU 36 1.132 -13.643 3.944 264 HD21 LEU 36 1HD2 LEU 36 4.608 -15.205 3.183 265 HD22 LEU 36 2HD2 LEU 36 4.015 -13.697 3.919 266 HD23 LEU 36 3HD2 LEU 36 3.535 -15.270 4.602 267 H SER 37 HN SER 37 0.554 -19.007 2.249 268 HA SER 37 HA SER 37 0.675 -20.091 4.838 269 HB2 SER 37 2HB SER 37 -1.387 -19.932 3.370 270 HB3 SER 37 3HB SER 37 -0.728 -21.214 2.374 271 HG SER 37 HG SER 37 -1.547 -22.605 3.765 272 H GLY 38 HN GLY 38 2.121 -21.598 5.577 273 HA2 GLY 38 1HA GLY 38 3.059 -23.750 5.456 274 HA3 GLY 38 2HA GLY 38 3.046 -23.669 3.706 275 H LYS 39 HN LYS 39 4.039 -20.719 3.938 276 HA LYS 39 HA LYS 39 6.708 -21.219 3.461 277 HB2 LYS 39 2HB LYS 39 5.045 -18.804 4.022 278 HB3 LYS 39 3HB LYS 39 6.784 -18.628 4.143 279 HG2 LYS 39 2HG LYS 39 5.282 -19.739 1.724 280 HG3 LYS 39 3HG LYS 39 5.971 -18.132 1.841 281 HD2 LYS 39 2HD LYS 39 8.185 -19.595 2.472 282 HD3 LYS 39 3HD LYS 39 7.352 -20.770 1.475 283 HE2 LYS 39 2HE LYS 39 7.039 -18.616 -0.136 284 HE3 LYS 39 3HE LYS 39 8.482 -18.087 0.707 285 HZ1 LYS 39 1HZ LYS 39 9.150 -20.608 0.115 286 HZ2 LYS 39 2HZ LYS 39 8.181 -20.295 -1.156 287 H SER 40 HN SER 40 8.301 -19.556 4.990 288 HA SER 40 HA SER 40 8.525 -21.172 7.332 289 HB2 SER 40 2HB SER 40 10.234 -18.806 6.448 290 HB3 SER 40 3HB SER 40 10.663 -19.996 7.661 291 HG SER 40 HG SER 40 11.408 -21.248 6.104 292 H THR 41 HN THR 41 8.301 -20.464 9.509 293 HA THR 41 HA THR 41 6.461 -18.356 9.923 294 HB THR 41 HB THR 41 8.124 -20.232 11.648 295 HG1 THR 41 HG1 THR 41 5.274 -19.609 11.339 296 HG21 THR 41 1HG2 THR 41 6.626 -17.752 12.467 297 HG22 THR 41 2HG2 THR 41 6.300 -19.230 13.403 298 HG23 THR 41 3HG2 THR 41 7.958 -18.591 13.298 299 H ASP 42 HN ASP 42 9.785 -18.288 9.245 300 HA ASP 42 HA ASP 42 10.421 -16.145 10.983 301 HB2 ASP 42 2HB ASP 42 12.026 -17.864 9.906 302 HB3 ASP 42 3HB ASP 42 11.860 -16.952 8.419 303 HD2 ASP 42 HD2 ASP 42 12.379 -14.169 10.217 304 H GLU 43 HN GLU 43 9.962 -16.557 7.387 305 HA GLU 43 HA GLU 43 10.183 -13.890 6.755 306 HB2 GLU 43 2HB GLU 43 9.521 -14.521 4.603 307 HB3 GLU 43 3HB GLU 43 10.089 -16.046 5.255 308 HG2 GLU 43 2HG GLU 43 7.741 -16.654 5.876 309 HG3 GLU 43 3HG GLU 43 7.174 -15.130 5.222 310 HE2 GLU 43 HE2 GLU 43 7.377 -15.939 2.003 311 H VAL 44 HN VAL 44 7.350 -15.857 7.774 312 HA VAL 44 HA VAL 44 5.298 -14.181 7.184 313 HB VAL 44 HB VAL 44 5.772 -15.885 9.635 314 HG11 VAL 44 1HG1 VAL 44 3.413 -15.816 10.077 315 HG12 VAL 44 2HG1 VAL 44 3.996 -14.138 9.969 316 HG13 VAL 44 3HG1 VAL 44 3.108 -14.861 8.607 317 HG21 VAL 44 1HG2 VAL 44 4.047 -16.548 7.244 318 HG22 VAL 44 2HG2 VAL 44 5.789 -16.908 7.271 319 HG23 VAL 44 3HG2 VAL 44 4.711 -17.639 8.484 320 H LYS 45 HN LYS 45 7.429 -14.072 10.119 321 HA LYS 45 HA LYS 45 6.210 -11.920 11.337 322 HB2 LYS 45 2HB LYS 45 9.095 -12.846 11.364 323 HB3 LYS 45 3HB LYS 45 8.463 -11.605 12.427 324 HG2 LYS 45 2HG LYS 45 7.028 -13.118 13.563 325 HG3 LYS 45 3HG LYS 45 7.043 -14.277 12.250 326 HD2 LYS 45 2HD LYS 45 9.461 -14.762 12.717 327 HD3 LYS 45 3HD LYS 45 9.427 -13.619 14.045 328 HE2 LYS 45 2HE LYS 45 7.551 -16.022 13.884 329 HE3 LYS 45 3HE LYS 45 9.105 -16.082 14.691 330 HZ1 LYS 45 1HZ LYS 45 6.756 -15.186 15.799 331 HZ2 LYS 45 2HZ LYS 45 8.238 -15.002 16.449 332 H LYS 46 HN LYS 46 8.411 -12.075 8.548 333 HA LYS 46 HA LYS 46 8.879 -9.241 8.583 334 HB2 LYS 46 2HB LYS 46 9.472 -11.048 6.254 335 HB3 LYS 46 3HB LYS 46 10.330 -9.621 6.798 336 HG2 LYS 46 2HG LYS 46 10.279 -12.364 8.125 337 HG3 LYS 46 3HG LYS 46 11.663 -11.547 7.426 338 HD2 LYS 46 2HD LYS 46 10.112 -10.378 9.775 339 HD3 LYS 46 3HD LYS 46 11.450 -11.486 10.003 340 HE2 LYS 46 2HE LYS 46 12.753 -9.816 8.397 341 HE3 LYS 46 3HE LYS 46 11.492 -8.685 8.847 342 HZ1 LYS 46 1HZ LYS 46 13.585 -9.835 10.527 343 HZ2 LYS 46 2HZ LYS 46 12.950 -8.336 10.562 344 H ALA 47 HN ALA 47 6.481 -11.484 7.349 345 HA ALA 47 HA ALA 47 5.544 -9.661 5.326 346 HB1 ALA 47 1HB ALA 47 3.678 -11.439 5.238 347 HB2 ALA 47 2HB ALA 47 5.322 -11.965 4.807 348 HB3 ALA 47 3HB ALA 47 4.658 -12.350 6.412 349 H PHE 48 HN PHE 48 5.124 -10.225 8.751 350 HA PHE 48 HA PHE 48 2.491 -9.194 8.933 351 HB2 PHE 48 2HB PHE 48 3.537 -10.666 10.645 352 HB3 PHE 48 3HB PHE 48 4.870 -9.546 10.848 353 HD1 PHE 48 HD1 PHE 48 1.486 -10.363 11.817 354 HD2 PHE 48 HD2 PHE 48 4.476 -7.356 11.974 355 HE1 PHE 48 HE1 PHE 48 0.253 -9.235 13.690 356 HE2 PHE 48 HE2 PHE 48 3.243 -6.228 13.847 357 HZ PHE 48 HZ PHE 48 1.146 -7.181 14.682 358 H ALA 49 HN ALA 49 5.663 -7.775 8.533 359 HA ALA 49 HA ALA 49 4.990 -5.278 9.768 360 HB1 ALA 49 1HB ALA 49 7.267 -6.098 7.917 361 HB2 ALA 49 2HB ALA 49 7.177 -4.583 8.847 362 HB3 ALA 49 3HB ALA 49 7.299 -6.143 9.696 363 H ILE 50 HN ILE 50 5.201 -6.625 6.421 364 HA ILE 50 HA ILE 50 4.867 -4.427 4.919 365 HB ILE 50 HB ILE 50 3.386 -7.032 4.547 366 HG12 ILE 50 2HG1 ILE 50 5.583 -7.724 4.857 367 HG13 ILE 50 3HG1 ILE 50 5.464 -7.549 3.117 368 HG21 ILE 50 1HG2 ILE 50 2.527 -5.893 2.811 369 HG22 ILE 50 2HG2 ILE 50 3.789 -4.639 2.866 370 HG23 ILE 50 3HG2 ILE 50 4.115 -6.196 2.067 371 HD11 ILE 50 1HD1 ILE 50 6.930 -5.832 5.108 372 HD12 ILE 50 2HD1 ILE 50 7.443 -6.388 3.496 373 HD13 ILE 50 3HD1 ILE 50 6.280 -5.049 3.648 374 H ILE 51 HN ILE 51 2.261 -6.183 6.712 375 HA ILE 51 HA ILE 51 0.250 -4.377 5.851 376 HB ILE 51 HB ILE 51 0.212 -6.248 8.217 377 HG12 ILE 51 2HG1 ILE 51 -0.985 -7.223 5.727 378 HG13 ILE 51 3HG1 ILE 51 0.746 -6.986 5.595 379 HG21 ILE 51 1HG2 ILE 51 -1.622 -4.389 7.597 380 HG22 ILE 51 2HG2 ILE 51 -2.189 -5.715 6.554 381 HG23 ILE 51 3HG2 ILE 51 -2.031 -5.968 8.309 382 HD11 ILE 51 1HD1 ILE 51 1.231 -8.677 7.070 383 HD12 ILE 51 2HD1 ILE 51 -0.144 -8.282 8.129 384 HD13 ILE 51 3HD1 ILE 51 -0.405 -9.235 6.648 385 H ASP 52 HN ASP 52 1.799 -4.915 9.100 386 HA ASP 52 HA ASP 52 0.740 -2.940 10.474 387 HB2 ASP 52 2HB ASP 52 3.597 -3.931 10.321 388 HB3 ASP 52 3HB ASP 52 3.220 -2.603 11.400 389 HD2 ASP 52 HD2 ASP 52 1.160 -5.919 12.186 390 H GLN 53 HN GLN 53 0.259 -0.884 9.626 391 HA GLN 53 HA GLN 53 2.308 0.410 8.048 392 HB2 GLN 53 2HB GLN 53 -0.534 1.357 8.605 393 HB3 GLN 53 3HB GLN 53 0.550 1.963 7.369 394 HG2 GLN 53 2HG GLN 53 0.601 -0.520 6.504 395 HG3 GLN 53 3HG GLN 53 -0.825 -0.742 7.498 396 HE21 GLN 53 1HE2 GLN 53 -2.752 0.014 6.864 397 HE22 GLN 53 2HE2 GLN 53 -3.062 0.867 5.388 398 H ASP 54 HN ASP 54 0.887 0.410 11.149 399 HA ASP 54 HA ASP 54 2.174 3.026 11.853 400 HB2 ASP 54 2HB ASP 54 0.533 2.885 13.785 401 HB3 ASP 54 3HB ASP 54 -0.221 3.003 12.196 402 H LYS 55 HN LYS 55 2.856 -0.281 11.941 403 HA LYS 55 HA LYS 55 3.894 -1.640 13.379 404 HB2 LYS 55 2HB LYS 55 5.689 0.644 14.115 405 HB3 LYS 55 3HB LYS 55 6.095 -1.008 13.698 406 HG2 LYS 55 2HG LYS 55 5.056 1.117 11.764 407 HG3 LYS 55 3HG LYS 55 6.710 0.545 11.864 408 HD2 LYS 55 2HD LYS 55 5.466 -1.850 11.532 409 HD3 LYS 55 3HD LYS 55 4.287 -0.827 10.735 410 HE2 LYS 55 2HE LYS 55 5.937 0.011 9.164 411 HE3 LYS 55 3HE LYS 55 7.262 -0.677 10.081 412 HZ1 LYS 55 1HZ LYS 55 5.242 -2.137 8.488 413 HZ2 LYS 55 2HZ LYS 55 6.862 -2.192 8.338 414 H SER 56 HN SER 56 1.578 -0.914 14.588 415 HA SER 56 HA SER 56 2.044 0.348 17.066 416 HB2 SER 56 2HB SER 56 -0.318 -0.762 17.522 417 HB3 SER 56 3HB SER 56 -0.171 0.574 16.399 418 HG SER 56 HG SER 56 -0.592 -2.203 15.870 419 H GLY 57 HN GLY 57 2.996 -2.638 15.875 420 HA2 GLY 57 1HA GLY 57 4.190 -4.175 17.157 421 HA3 GLY 57 2HA GLY 57 3.287 -3.713 18.586 422 H PHE 58 HN PHE 58 0.651 -3.765 17.059 423 HA PHE 58 HA PHE 58 0.448 -6.636 16.555 424 HB2 PHE 58 2HB PHE 58 -1.248 -4.840 18.390 425 HB3 PHE 58 3HB PHE 58 -1.746 -6.455 17.926 426 HD1 PHE 58 HD1 PHE 58 -1.268 -8.180 19.376 427 HD2 PHE 58 HD2 PHE 58 1.214 -4.738 19.429 428 HE1 PHE 58 HE1 PHE 58 0.011 -9.132 21.314 429 HE2 PHE 58 HE2 PHE 58 2.493 -5.690 21.367 430 HZ PHE 58 HZ PHE 58 1.876 -7.875 22.287 431 H ILE 59 HN ILE 59 -2.048 -7.037 15.832 432 HA ILE 59 HA ILE 59 -2.651 -4.891 13.916 433 HB ILE 59 HB ILE 59 -2.530 -7.865 13.591 434 HG12 ILE 59 2HG1 ILE 59 -1.696 -5.688 11.669 435 HG13 ILE 59 3HG1 ILE 59 -0.655 -6.217 12.976 436 HG21 ILE 59 1HG2 ILE 59 -4.609 -6.110 12.524 437 HG22 ILE 59 2HG2 ILE 59 -3.698 -6.964 11.255 438 HG23 ILE 59 3HG2 ILE 59 -4.501 -7.887 12.548 439 HD11 ILE 59 1HD1 ILE 59 -0.053 -7.517 11.033 440 HD12 ILE 59 2HD1 ILE 59 -0.942 -8.609 12.120 441 HD13 ILE 59 3HD1 ILE 59 -1.755 -7.915 10.697 442 H GLU 60 HN GLU 60 -3.989 -3.983 15.681 443 HA GLU 60 HA GLU 60 -5.935 -5.283 17.006 444 HB2 GLU 60 2HB GLU 60 -5.847 -2.459 15.888 445 HB3 GLU 60 3HB GLU 60 -7.173 -3.002 16.896 446 HG2 GLU 60 2HG GLU 60 -5.719 -2.101 18.500 447 HG3 GLU 60 3HG GLU 60 -5.277 -3.796 18.552 448 HE2 GLU 60 HE2 GLU 60 -2.720 -1.891 16.176 449 H GLU 61 HN GLU 61 -8.402 -5.140 16.675 450 HA GLU 61 HA GLU 61 -9.073 -6.540 14.426 451 HB2 GLU 61 2HB GLU 61 -10.393 -6.403 16.562 452 HB3 GLU 61 3HB GLU 61 -10.909 -4.788 16.120 453 HG2 GLU 61 2HG GLU 61 -11.928 -5.716 14.011 454 HG3 GLU 61 3HG GLU 61 -11.455 -7.327 14.510 455 HE2 GLU 61 HE2 GLU 61 -13.873 -7.402 17.107 456 H GLU 62 HN GLU 62 -8.629 -3.089 14.889 457 HA GLU 62 HA GLU 62 -10.218 -2.365 12.645 458 HB2 GLU 62 2HB GLU 62 -8.110 -0.692 14.073 459 HB3 GLU 62 3HB GLU 62 -9.427 -0.100 13.080 460 HG2 GLU 62 2HG GLU 62 -11.078 -1.048 14.709 461 HG3 GLU 62 3HG GLU 62 -9.758 -1.628 15.705 462 HE2 GLU 62 HE2 GLU 62 -10.410 0.935 17.480 463 H GLU 63 HN GLU 63 -6.916 -3.411 13.248 464 HA GLU 63 HA GLU 63 -5.978 -2.328 10.765 465 HB2 GLU 63 2HB GLU 63 -4.647 -4.123 12.841 466 HB3 GLU 63 3HB GLU 63 -3.834 -3.502 11.418 467 HG2 GLU 63 2HG GLU 63 -4.781 -1.153 12.344 468 HG3 GLU 63 3HG GLU 63 -4.780 -2.020 13.867 469 H LEU 64 HN LEU 64 -7.361 -5.304 12.043 470 HA LEU 64 HA LEU 64 -6.338 -7.157 10.272 471 HB2 LEU 64 2HB LEU 64 -8.773 -6.895 11.949 472 HB3 LEU 64 3HB LEU 64 -8.813 -8.103 10.680 473 HG LEU 64 HG LEU 64 -6.644 -7.947 12.788 474 HD11 LEU 64 1HD1 LEU 64 -9.157 -8.456 13.467 475 HD12 LEU 64 2HD1 LEU 64 -8.739 -10.072 12.850 476 HD13 LEU 64 3HD1 LEU 64 -7.790 -9.351 14.172 477 HD21 LEU 64 1HD2 LEU 64 -5.727 -9.835 11.913 478 HD22 LEU 64 2HD2 LEU 64 -7.280 -10.444 11.292 479 HD23 LEU 64 3HD2 LEU 64 -6.418 -9.153 10.421 480 H LYS 65 HN LYS 65 -9.260 -5.034 9.957 481 HA LYS 65 HA LYS 65 -9.981 -5.970 7.431 482 HB2 LYS 65 2HB LYS 65 -11.492 -4.153 7.378 483 HB3 LYS 65 3HB LYS 65 -11.380 -4.640 9.057 484 HG2 LYS 65 2HG LYS 65 -9.904 -2.788 9.594 485 HG3 LYS 65 3HG LYS 65 -9.657 -2.406 7.901 486 HD2 LYS 65 2HD LYS 65 -11.263 -0.806 8.468 487 HD3 LYS 65 3HD LYS 65 -12.291 -2.089 7.861 488 HE2 LYS 65 2HE LYS 65 -13.357 -1.643 9.887 489 HE3 LYS 65 3HE LYS 65 -12.267 -2.918 10.394 490 HZ1 LYS 65 1HZ LYS 65 -11.115 -0.264 10.514 491 HZ2 LYS 65 2HZ LYS 65 -12.358 -0.487 11.542 492 H LEU 66 HN LEU 66 -7.253 -4.140 8.474 493 HA LEU 66 HA LEU 66 -6.922 -2.893 5.867 494 HB2 LEU 66 2HB LEU 66 -5.163 -2.710 8.313 495 HB3 LEU 66 3HB LEU 66 -5.087 -1.710 6.876 496 HG LEU 66 HG LEU 66 -7.302 -1.759 8.940 497 HD11 LEU 66 1HD1 LEU 66 -5.963 0.777 8.322 498 HD12 LEU 66 2HD1 LEU 66 -6.363 0.034 9.889 499 HD13 LEU 66 3HD1 LEU 66 -4.887 -0.456 9.023 500 HD21 LEU 66 1HD2 LEU 66 -8.456 -0.080 7.680 501 HD22 LEU 66 2HD2 LEU 66 -7.155 -0.019 6.467 502 HD23 LEU 66 3HD2 LEU 66 -8.166 -1.477 6.615 503 H PHE 67 HN PHE 67 -6.927 -5.862 6.241 504 HA PHE 67 HA PHE 67 -4.172 -6.624 6.007 505 HB2 PHE 67 2HB PHE 67 -5.917 -8.072 7.058 506 HB3 PHE 67 3HB PHE 67 -6.896 -7.995 5.607 507 HD1 PHE 67 HD1 PHE 67 -3.402 -8.956 6.539 508 HD2 PHE 67 HD2 PHE 67 -6.870 -9.859 4.265 509 HE1 PHE 67 HE1 PHE 67 -2.298 -11.041 5.681 510 HE2 PHE 67 HE2 PHE 67 -5.765 -11.943 3.408 511 HZ PHE 67 HZ PHE 67 -3.492 -12.509 4.126 512 H LEU 68 HN LEU 68 -5.978 -4.864 3.962 513 HA LEU 68 HA LEU 68 -4.985 -6.309 1.603 514 HB2 LEU 68 2HB LEU 68 -7.528 -4.770 2.050 515 HB3 LEU 68 3HB LEU 68 -6.865 -4.978 0.441 516 HG LEU 68 HG LEU 68 -7.877 -7.110 2.327 517 HD11 LEU 68 1HD1 LEU 68 -9.742 -6.542 1.200 518 HD12 LEU 68 2HD1 LEU 68 -8.840 -5.811 -0.150 519 HD13 LEU 68 3HD1 LEU 68 -9.044 -7.578 -0.068 520 HD21 LEU 68 1HD2 LEU 68 -6.180 -7.442 -0.151 521 HD22 LEU 68 2HD2 LEU 68 -5.899 -8.088 1.484 522 HD23 LEU 68 3HD2 LEU 68 -7.227 -8.731 0.488 523 H GLN 69 HN GLN 69 -4.569 -3.675 3.675 524 HA GLN 69 HA GLN 69 -3.779 -1.885 1.556 525 HB2 GLN 69 2HB GLN 69 -4.178 -1.643 4.537 526 HB3 GLN 69 3HB GLN 69 -3.152 -0.472 3.733 527 HG2 GLN 69 2HG GLN 69 -4.923 0.322 2.347 528 HG3 GLN 69 3HG GLN 69 -5.898 -1.111 2.608 529 HE21 GLN 69 1HE2 GLN 69 -7.675 0.021 3.286 530 HE22 GLN 69 2HE2 GLN 69 -7.786 0.820 4.819 531 H ASN 70 HN ASN 70 -2.442 -4.552 2.930 532 HA ASN 70 HA ASN 70 0.119 -3.473 3.558 533 HB2 ASN 70 2HB ASN 70 0.746 -5.805 3.993 534 HB3 ASN 70 3HB ASN 70 -0.848 -5.536 4.668 535 HD21 ASN 70 1HD2 ASN 70 -2.693 -6.310 3.590 536 HD22 ASN 70 2HD2 ASN 70 -2.619 -7.624 2.464 537 H PHE 71 HN PHE 71 -1.457 -5.460 0.964 538 HA PHE 71 HA PHE 71 0.965 -5.560 -0.578 539 HB2 PHE 71 2HB PHE 71 -1.975 -6.271 -1.155 540 HB3 PHE 71 3HB PHE 71 -0.629 -6.751 -2.169 541 HD1 PHE 71 HD1 PHE 71 1.255 -8.128 -0.937 542 HD2 PHE 71 HD2 PHE 71 -2.737 -7.748 0.453 543 HE1 PHE 71 HE1 PHE 71 1.526 -10.225 0.415 544 HE2 PHE 71 HE2 PHE 71 -2.466 -9.845 1.805 545 HZ PHE 71 HZ PHE 71 -0.338 -11.059 1.770 546 H LYS 72 HN LYS 72 -0.972 -3.027 0.101 547 HA LYS 72 HA LYS 72 -0.171 -1.526 -2.092 548 HB2 LYS 72 2HB LYS 72 -2.049 -3.141 -3.046 549 HB3 LYS 72 3HB LYS 72 -3.126 -1.961 -2.328 550 HG2 LYS 72 2HG LYS 72 -0.898 -0.719 -3.832 551 HG3 LYS 72 3HG LYS 72 -1.907 -1.744 -4.833 552 HD2 LYS 72 2HD LYS 72 -3.862 -0.421 -3.468 553 HD3 LYS 72 3HD LYS 72 -2.607 0.800 -3.404 554 HE2 LYS 72 2HE LYS 72 -3.608 -0.549 -5.958 555 HE3 LYS 72 3HE LYS 72 -4.074 1.052 -5.419 556 HZ1 LYS 72 1HZ LYS 72 -2.303 1.591 -6.748 557 HZ2 LYS 72 2HZ LYS 72 -1.446 1.342 -5.387 558 H ALA 73 HN ALA 73 -0.796 0.718 -1.854 559 HA ALA 73 HA ALA 73 -1.823 1.228 0.843 560 HB1 ALA 73 1HB ALA 73 0.396 2.211 -0.703 561 HB2 ALA 73 2HB ALA 73 -0.712 3.563 -0.368 562 HB3 ALA 73 3HB ALA 73 -0.052 2.600 0.975 563 H GLY 74 HN GLY 74 -3.984 0.619 -0.352 564 HA2 GLY 74 1HA GLY 74 -5.501 2.949 -0.624 565 HA3 GLY 74 2HA GLY 74 -5.079 2.406 -2.236 566 H ALA 75 HN ALA 75 -4.950 -0.480 -1.552 567 HA ALA 75 HA ALA 75 -7.375 -1.347 -2.263 568 HB1 ALA 75 1HB ALA 75 -6.377 -3.169 -0.276 569 HB2 ALA 75 2HB ALA 75 -6.262 -3.284 -2.048 570 HB3 ALA 75 3HB ALA 75 -4.993 -2.443 -1.127 571 H ARG 76 HN ARG 76 -9.385 -1.789 -1.346 572 HA ARG 76 HA ARG 76 -10.166 -0.219 0.744 573 HB2 ARG 76 2HB ARG 76 -12.273 -1.525 0.694 574 HB3 ARG 76 3HB ARG 76 -11.713 -1.219 -0.938 575 HG2 ARG 76 2HG ARG 76 -11.046 -3.450 -1.285 576 HG3 ARG 76 3HG ARG 76 -10.819 -3.762 0.425 577 HD2 ARG 76 2HD ARG 76 -13.266 -3.745 0.796 578 HD3 ARG 76 3HD ARG 76 -13.547 -3.300 -0.875 579 HE ARG 76 HE ARG 76 -12.122 -5.589 -1.211 580 HH11 ARG 76 HH1 ARG 76 -14.261 -8.178 -0.323 581 HH21 ARG 76 1HH2 ARG 76 -15.424 -6.514 0.950 582 HH22 ARG 76 2HH2 ARG 76 -14.843 -4.882 0.947 583 H ALA 77 HN ALA 77 -11.682 -1.768 2.554 584 HA ALA 77 HA ALA 77 -9.649 -3.442 3.858 585 HB1 ALA 77 1HB ALA 77 -11.436 -1.299 5.073 586 HB2 ALA 77 2HB ALA 77 -10.509 -2.482 6.026 587 HB3 ALA 77 3HB ALA 77 -9.658 -1.306 4.996 588 H LEU 78 HN LEU 78 -10.386 -5.409 4.585 589 HA LEU 78 HA LEU 78 -12.591 -6.575 3.611 590 HB2 LEU 78 2HB LEU 78 -11.177 -7.033 6.234 591 HB3 LEU 78 3HB LEU 78 -12.450 -8.086 5.649 592 HG LEU 78 HG LEU 78 -10.596 -9.220 4.934 593 HD11 LEU 78 1HD1 LEU 78 -10.343 -8.968 2.536 594 HD12 LEU 78 2HD1 LEU 78 -12.047 -8.742 2.998 595 HD13 LEU 78 3HD1 LEU 78 -11.036 -7.330 2.606 596 HD21 LEU 78 1HD2 LEU 78 -8.483 -8.371 4.453 597 HD22 LEU 78 2HD2 LEU 78 -9.115 -6.768 4.007 598 HD23 LEU 78 3HD2 LEU 78 -9.092 -7.272 5.714 599 H SER 79 HN SER 79 -14.756 -7.001 4.295 600 HA SER 79 HA SER 79 -16.045 -4.780 5.293 601 HB2 SER 79 2HB SER 79 -17.194 -6.391 3.878 602 HB3 SER 79 3HB SER 79 -16.932 -7.682 5.033 603 HG SER 79 HG SER 79 -19.054 -6.961 5.322 604 H ASP 80 HN ASP 80 -17.872 -5.428 7.232 605 HA ASP 80 HA ASP 80 -16.298 -5.328 9.537 606 HB2 ASP 80 2HB ASP 80 -19.247 -5.493 8.914 607 HB3 ASP 80 3HB ASP 80 -18.743 -5.797 10.565 608 HD2 ASP 80 HD2 ASP 80 -20.177 -3.204 10.339 609 H ALA 81 HN ALA 81 -17.983 -7.875 7.710 610 HA ALA 81 HA ALA 81 -17.780 -9.782 9.878 611 HB1 ALA 81 1HB ALA 81 -18.598 -10.338 7.014 612 HB2 ALA 81 2HB ALA 81 -19.096 -11.182 8.501 613 HB3 ALA 81 3HB ALA 81 -19.705 -9.544 8.160 614 H GLU 82 HN GLU 82 -16.438 -9.269 6.545 615 HA GLU 82 HA GLU 82 -14.873 -11.441 6.370 616 HB2 GLU 82 2HB GLU 82 -14.413 -8.585 5.444 617 HB3 GLU 82 3HB GLU 82 -13.281 -9.861 5.042 618 HG2 GLU 82 2HG GLU 82 -14.807 -10.985 3.665 619 HG3 GLU 82 3HG GLU 82 -16.205 -10.390 4.539 620 HE2 GLU 82 HE2 GLU 82 -14.425 -7.741 2.089 621 H THR 83 HN THR 83 -14.128 -8.353 8.095 622 HA THR 83 HA THR 83 -11.511 -9.151 8.849 623 HB THR 83 HB THR 83 -13.479 -7.005 9.786 624 HG1 THR 83 HG1 THR 83 -12.616 -6.442 7.790 625 HG21 THR 83 1HG2 THR 83 -12.061 -6.604 11.538 626 HG22 THR 83 2HG2 THR 83 -10.946 -7.879 10.992 627 HG23 THR 83 3HG2 THR 83 -10.806 -6.232 10.332 628 H LYS 84 HN LYS 84 -14.742 -9.783 10.117 629 HA LYS 84 HA LYS 84 -13.853 -10.485 12.720 630 HB2 LYS 84 2HB LYS 84 -16.387 -10.559 11.174 631 HB3 LYS 84 3HB LYS 84 -16.245 -11.736 12.463 632 HG2 LYS 84 2HG LYS 84 -15.384 -9.672 13.893 633 HG3 LYS 84 3HG LYS 84 -16.159 -8.712 12.649 634 HD2 LYS 84 2HD LYS 84 -18.321 -9.582 13.137 635 HD3 LYS 84 3HD LYS 84 -17.677 -10.988 13.961 636 HE2 LYS 84 2HE LYS 84 -17.246 -8.161 15.019 637 HE3 LYS 84 3HE LYS 84 -18.657 -9.107 15.448 638 HZ1 LYS 84 1HZ LYS 84 -17.355 -10.005 17.031 639 HZ2 LYS 84 2HZ LYS 84 -16.543 -10.809 15.871 640 H ALA 85 HN ALA 85 -14.590 -12.297 9.682 641 HA ALA 85 HA ALA 85 -14.148 -14.836 10.784 642 HB1 ALA 85 1HB ALA 85 -13.468 -14.546 7.944 643 HB2 ALA 85 2HB ALA 85 -14.777 -15.476 8.713 644 HB3 ALA 85 3HB ALA 85 -15.002 -13.746 8.364 645 H PHE 86 HN PHE 86 -11.997 -12.539 8.982 646 HA PHE 86 HA PHE 86 -9.760 -14.220 9.041 647 HB2 PHE 86 2HB PHE 86 -10.295 -12.093 7.641 648 HB3 PHE 86 3HB PHE 86 -9.930 -11.150 9.071 649 HD1 PHE 86 HD1 PHE 86 -8.041 -9.953 8.357 650 HD2 PHE 86 HD2 PHE 86 -8.123 -14.171 7.900 651 HE1 PHE 86 HE1 PHE 86 -5.613 -9.932 7.723 652 HE2 PHE 86 HE2 PHE 86 -5.695 -14.150 7.266 653 HZ PHE 86 HZ PHE 86 -4.469 -12.030 7.185 654 H LEU 87 HN LEU 87 -11.365 -12.507 11.562 655 HA LEU 87 HA LEU 87 -8.968 -12.043 13.101 656 HB2 LEU 87 2HB LEU 87 -10.673 -10.405 13.258 657 HB3 LEU 87 3HB LEU 87 -11.909 -11.605 13.583 658 HG LEU 87 HG LEU 87 -10.840 -12.092 15.771 659 HD11 LEU 87 1HD1 LEU 87 -8.943 -11.113 16.550 660 HD12 LEU 87 2HD1 LEU 87 -8.570 -11.078 14.810 661 HD13 LEU 87 3HD1 LEU 87 -9.190 -9.617 15.617 662 HD21 LEU 87 1HD2 LEU 87 -11.932 -10.402 16.855 663 HD22 LEU 87 2HD2 LEU 87 -11.304 -9.140 15.767 664 HD23 LEU 87 3HD2 LEU 87 -12.618 -10.211 15.223 665 H LYS 88 HN LYS 88 -12.022 -13.949 13.636 666 HA LYS 88 HA LYS 88 -10.923 -15.465 15.708 667 HB2 LYS 88 2HB LYS 88 -13.397 -15.380 14.139 668 HB3 LYS 88 3HB LYS 88 -12.956 -17.006 14.619 669 HG2 LYS 88 2HG LYS 88 -12.549 -15.083 16.811 670 HG3 LYS 88 3HG LYS 88 -14.204 -15.063 16.234 671 HD2 LYS 88 2HD LYS 88 -13.866 -17.747 16.325 672 HD3 LYS 88 3HD LYS 88 -12.668 -17.306 17.526 673 HE2 LYS 88 2HE LYS 88 -14.383 -17.204 19.019 674 HE3 LYS 88 3HE LYS 88 -14.851 -15.708 18.235 675 HZ1 LYS 88 1HZ LYS 88 -15.789 -18.348 17.262 676 HZ2 LYS 88 2HZ LYS 88 -16.629 -17.472 18.348 677 H ALA 89 HN ALA 89 -10.557 -15.603 12.229 678 HA ALA 89 HA ALA 89 -9.903 -18.349 12.054 679 HB1 ALA 89 1HB ALA 89 -8.975 -17.640 9.832 680 HB2 ALA 89 2HB ALA 89 -10.642 -17.084 10.115 681 HB3 ALA 89 3HB ALA 89 -9.283 -15.947 10.289 682 H GLY 90 HN GLY 90 -8.185 -15.406 13.022 683 HA2 GLY 90 1HA GLY 90 -5.657 -16.934 13.112 684 HA3 GLY 90 2HA GLY 90 -5.794 -15.192 12.989 685 H ASP 91 HN ASP 91 -7.097 -14.099 14.870 686 HA ASP 91 HA ASP 91 -5.752 -14.419 17.164 687 HB2 ASP 91 2HB ASP 91 -7.676 -12.726 16.325 688 HB3 ASP 91 3HB ASP 91 -8.684 -13.727 17.351 689 HD2 ASP 91 HD2 ASP 91 -8.444 -11.150 18.485 690 H SER 92 HN SER 92 -5.671 -16.102 18.660 691 HA SER 92 HA SER 92 -7.887 -17.974 18.621 692 HB2 SER 92 2HB SER 92 -4.965 -18.150 19.208 693 HB3 SER 92 3HB SER 92 -5.991 -19.155 20.212 694 HG SER 92 HG SER 92 -6.971 -19.585 17.825 695 H ASP 93 HN ASP 93 -7.172 -15.272 20.130 696 HA ASP 93 HA ASP 93 -8.173 -16.182 22.810 697 HB2 ASP 93 2HB ASP 93 -6.744 -14.522 23.787 698 HB3 ASP 93 3HB ASP 93 -5.759 -15.351 22.584 699 H GLY 94 HN GLY 94 -8.818 -14.272 19.956 700 HA2 GLY 94 1HA GLY 94 -10.245 -12.570 19.532 701 HA3 GLY 94 2HA GLY 94 -11.311 -13.464 20.599 702 H ASP 95 HN ASP 95 -8.420 -11.263 20.870 703 HA ASP 95 HA ASP 95 -9.682 -10.150 23.233 704 HB2 ASP 95 2HB ASP 95 -7.374 -9.011 23.466 705 HB3 ASP 95 3HB ASP 95 -7.429 -10.746 23.704 706 HD2 ASP 95 HD2 ASP 95 -6.465 -11.024 20.233 707 H GLY 96 HN GLY 96 -8.840 -9.580 19.867 708 HA2 GLY 96 1HA GLY 96 -10.109 -7.768 18.821 709 HA3 GLY 96 2HA GLY 96 -9.604 -6.733 20.142 710 H LYS 97 HN LYS 97 -7.076 -8.908 19.446 711 HA LYS 97 HA LYS 97 -5.955 -7.262 17.331 712 HB2 LYS 97 2HB LYS 97 -4.295 -7.729 19.799 713 HB3 LYS 97 3HB LYS 97 -4.040 -6.587 18.494 714 HG2 LYS 97 2HG LYS 97 -6.217 -5.430 19.221 715 HG3 LYS 97 3HG LYS 97 -6.212 -6.467 20.634 716 HD2 LYS 97 2HD LYS 97 -3.893 -4.631 19.869 717 HD3 LYS 97 3HD LYS 97 -5.154 -4.186 21.002 718 HE2 LYS 97 2HE LYS 97 -4.473 -5.810 22.604 719 HE3 LYS 97 3HE LYS 97 -3.606 -6.763 21.416 720 HZ1 LYS 97 1HZ LYS 97 -2.279 -4.440 21.268 721 HZ2 LYS 97 2HZ LYS 97 -2.714 -4.395 22.836 722 H ILE 98 HN ILE 98 -4.104 -8.309 16.272 723 HA ILE 98 HA ILE 98 -3.958 -11.171 16.904 724 HB ILE 98 HB ILE 98 -4.592 -9.813 14.326 725 HG12 ILE 98 2HG1 ILE 98 -5.597 -12.169 15.901 726 HG13 ILE 98 3HG1 ILE 98 -6.474 -10.769 15.318 727 HG21 ILE 98 1HG2 ILE 98 -3.849 -11.774 13.051 728 HG22 ILE 98 2HG2 ILE 98 -2.487 -10.933 13.829 729 HG23 ILE 98 3HG2 ILE 98 -3.109 -12.449 14.522 730 HD11 ILE 98 1HD1 ILE 98 -7.147 -12.459 13.818 731 HD12 ILE 98 2HD1 ILE 98 -5.840 -11.649 12.921 732 HD13 ILE 98 3HD1 ILE 98 -5.523 -13.186 13.760 733 H GLY 99 HN GLY 99 -1.960 -11.368 17.801 734 HA2 GLY 99 1HA GLY 99 0.210 -9.661 17.128 735 HA3 GLY 99 2HA GLY 99 0.259 -11.113 18.107 736 H ILE 100 HN ILE 100 2.421 -11.258 16.852 737 HA ILE 100 HA ILE 100 2.218 -12.004 14.100 738 HB ILE 100 HB ILE 100 4.142 -10.843 15.413 739 HG12 ILE 100 2HG1 ILE 100 4.168 -11.289 13.019 740 HG13 ILE 100 3HG1 ILE 100 5.741 -11.598 13.728 741 HG21 ILE 100 1HG2 ILE 100 4.805 -13.766 15.858 742 HG22 ILE 100 2HG2 ILE 100 5.932 -12.407 16.085 743 HG23 ILE 100 3HG2 ILE 100 4.480 -12.540 17.106 744 HD11 ILE 100 1HD1 ILE 100 3.641 -13.676 12.968 745 HD12 ILE 100 2HD1 ILE 100 5.233 -13.428 12.213 746 HD13 ILE 100 3HD1 ILE 100 5.124 -14.058 13.874 747 H ASP 101 HN ASP 101 2.944 -13.723 17.212 748 HA ASP 101 HA ASP 101 3.316 -16.196 16.215 749 HB2 ASP 101 2HB ASP 101 1.970 -16.833 18.479 750 HB3 ASP 101 3HB ASP 101 3.607 -16.210 18.497 751 HD2 ASP 101 HD2 ASP 101 0.546 -14.519 20.113 752 H GLU 102 HN GLU 102 0.328 -14.296 16.539 753 HA GLU 102 HA GLU 102 -1.336 -16.588 16.086 754 HB2 GLU 102 2HB GLU 102 -1.738 -13.710 16.790 755 HB3 GLU 102 3HB GLU 102 -3.030 -14.455 15.870 756 HG2 GLU 102 2HG GLU 102 -3.586 -15.947 17.571 757 HG3 GLU 102 3HG GLU 102 -1.946 -16.039 18.181 758 H PHE 103 HN PHE 103 0.001 -13.780 14.320 759 HA PHE 103 HA PHE 103 -1.633 -14.022 12.052 760 HB2 PHE 103 2HB PHE 103 -0.318 -12.002 12.541 761 HB3 PHE 103 3HB PHE 103 1.162 -12.928 12.686 762 HD1 PHE 103 HD1 PHE 103 -1.459 -12.063 10.178 763 HD2 PHE 103 HD2 PHE 103 2.615 -13.019 10.884 764 HE1 PHE 103 HE1 PHE 103 -0.932 -11.597 7.768 765 HE2 PHE 103 HE2 PHE 103 3.142 -12.552 8.474 766 HZ PHE 103 HZ PHE 103 1.362 -11.847 6.946 767 H ALA 104 HN ALA 104 1.341 -15.669 13.126 768 HA ALA 104 HA ALA 104 1.752 -16.834 10.510 769 HB1 ALA 104 1HB ALA 104 3.600 -16.068 12.081 770 HB2 ALA 104 2HB ALA 104 3.168 -17.438 13.131 771 HB3 ALA 104 3HB ALA 104 3.757 -17.735 11.478 772 H ALA 105 HN ALA 105 -0.398 -17.313 13.034 773 HA ALA 105 HA ALA 105 -0.271 -20.202 13.026 774 HB1 ALA 105 1HB ALA 105 -1.843 -20.074 14.779 775 HB2 ALA 105 2HB ALA 105 -0.832 -18.627 15.015 776 HB3 ALA 105 3HB ALA 105 -2.435 -18.479 14.255 777 H MET 106 HN MET 106 -2.618 -17.599 12.060 778 HA MET 106 HA MET 106 -4.494 -19.240 10.969 779 HB2 MET 106 2HB MET 106 -5.075 -17.179 9.574 780 HB3 MET 106 3HB MET 106 -4.867 -16.836 11.280 781 HG2 MET 106 2HG MET 106 -2.335 -16.374 10.586 782 HG3 MET 106 3HG MET 106 -3.007 -16.184 8.979 783 HE1 MET 106 1HE MET 106 -5.560 -15.129 9.003 784 HE2 MET 106 2HE MET 106 -6.081 -15.098 10.705 785 HE3 MET 106 3HE MET 106 -5.890 -13.574 9.805 786 H ILE 107 HN ILE 107 -1.263 -18.611 9.852 787 HA ILE 107 HA ILE 107 -1.946 -19.515 7.155 788 HB ILE 107 HB ILE 107 0.480 -18.867 6.734 789 HG12 ILE 107 2HG1 ILE 107 0.136 -17.386 9.356 790 HG13 ILE 107 3HG1 ILE 107 1.111 -18.829 9.159 791 HG21 ILE 107 1HG2 ILE 107 -1.652 -16.839 7.434 792 HG22 ILE 107 2HG2 ILE 107 -0.125 -16.421 6.621 793 HG23 ILE 107 3HG2 ILE 107 -1.273 -17.536 5.841 794 HD11 ILE 107 1HD1 ILE 107 1.585 -16.052 8.102 795 HD12 ILE 107 2HD1 ILE 107 2.739 -17.207 8.811 796 HD13 ILE 107 3HD1 ILE 107 2.178 -17.424 7.135 797 H LYS 108 HN LYS 108 0.110 -20.241 10.029 798 HA LYS 108 HA LYS 108 1.344 -22.493 8.929 799 HB2 LYS 108 2HB LYS 108 2.213 -21.333 10.880 800 HB3 LYS 108 3HB LYS 108 0.780 -21.725 11.807 801 HG2 LYS 108 2HG LYS 108 1.374 -23.966 12.063 802 HG3 LYS 108 3HG LYS 108 2.238 -24.028 10.539 803 HD2 LYS 108 2HD LYS 108 3.863 -22.284 11.794 804 HD3 LYS 108 3HD LYS 108 3.190 -23.040 13.225 805 HE2 LYS 108 2HE LYS 108 3.796 -25.310 12.191 806 HE3 LYS 108 3HE LYS 108 4.654 -24.436 10.938 807 HZ1 LYS 108 1HZ LYS 108 6.345 -24.030 12.354 808 HZ2 LYS 108 2HZ LYS 108 5.376 -23.533 13.564 809 H GLY 109 HN GLY 109 -1.911 -21.904 10.064 810 HA2 GLY 109 1HA GLY 109 -2.538 -24.731 9.564 811 HA3 GLY 109 2HA GLY 109 -3.015 -24.014 11.090 Start of MODEL 2 1 H SER 0 HN SER 0 3.692 2.113 -3.087 2 HA SER 0 HA SER 0 6.230 1.027 -4.027 3 HB2 SER 0 2HB SER 0 5.615 2.586 -1.495 4 HB3 SER 0 3HB SER 0 6.992 1.505 -1.571 5 HG SER 0 HG SER 0 6.571 3.992 -2.851 6 H MET 1 HN MET 1 5.962 -1.181 -4.018 7 HA MET 1 HA MET 1 4.245 -2.299 -1.972 8 HB2 MET 1 2HB MET 1 4.039 -2.879 -4.470 9 HB3 MET 1 3HB MET 1 5.610 -3.650 -4.366 10 HG2 MET 1 2HG MET 1 4.701 -5.163 -2.547 11 HG3 MET 1 3HG MET 1 3.122 -4.436 -2.771 12 HE1 MET 1 1HE MET 1 1.477 -6.004 -5.356 13 HE2 MET 1 2HE MET 1 1.738 -4.515 -4.416 14 HE3 MET 1 3HE MET 1 2.282 -4.606 -6.108 15 H ALA 2 HN ALA 2 4.991 -3.568 -0.287 16 HA ALA 2 HA ALA 2 7.856 -3.673 0.048 17 HB1 ALA 2 1HB ALA 2 6.062 -4.982 2.017 18 HB2 ALA 2 2HB ALA 2 7.365 -3.795 2.267 19 HB3 ALA 2 3HB ALA 2 5.753 -3.250 1.745 20 H PHE 3 HN PHE 3 5.072 -6.008 -0.029 21 HA PHE 3 HA PHE 3 6.533 -8.314 0.175 22 HB2 PHE 3 2HB PHE 3 3.942 -7.378 -1.083 23 HB3 PHE 3 3HB PHE 3 4.477 -8.985 -1.534 24 HD1 PHE 3 HD1 PHE 3 2.548 -7.190 0.741 25 HD2 PHE 3 HD2 PHE 3 5.209 -10.490 0.553 26 HE1 PHE 3 HE1 PHE 3 1.552 -8.114 2.852 27 HE2 PHE 3 HE2 PHE 3 4.213 -11.414 2.664 28 HZ PHE 3 HZ PHE 3 2.396 -10.215 3.788 29 H ALA 4 HN ALA 4 6.464 -6.007 -2.440 30 HA ALA 4 HA ALA 4 6.795 -7.439 -4.694 31 HB1 ALA 4 1HB ALA 4 6.855 -5.126 -4.947 32 HB2 ALA 4 2HB ALA 4 8.036 -4.906 -3.634 33 HB3 ALA 4 3HB ALA 4 8.564 -5.547 -5.209 34 H SER 5 HN SER 5 8.956 -7.294 -1.894 35 HA SER 5 HA SER 5 10.949 -8.762 -3.414 36 HB2 SER 5 2HB SER 5 11.466 -6.668 -1.929 37 HB3 SER 5 3HB SER 5 11.280 -7.757 -0.569 38 HG SER 5 HG SER 5 13.329 -7.625 -2.513 39 H VAL 6 HN VAL 6 8.920 -8.844 -0.424 40 HA VAL 6 HA VAL 6 9.840 -11.331 0.484 41 HB VAL 6 HB VAL 6 7.127 -10.078 0.924 42 HG11 VAL 6 1HG1 VAL 6 6.843 -11.508 2.653 43 HG12 VAL 6 2HG1 VAL 6 8.027 -12.501 1.769 44 HG13 VAL 6 3HG1 VAL 6 8.562 -11.464 3.113 45 HG21 VAL 6 1HG2 VAL 6 8.436 -8.283 1.512 46 HG22 VAL 6 2HG2 VAL 6 8.448 -9.189 3.045 47 HG23 VAL 6 3HG2 VAL 6 9.836 -9.298 1.936 48 H LEU 7 HN LEU 7 6.706 -10.492 -1.167 49 HA LEU 7 HA LEU 7 6.669 -13.261 -2.135 50 HB2 LEU 7 2HB LEU 7 4.417 -11.294 -1.702 51 HB3 LEU 7 3HB LEU 7 4.235 -12.883 -2.416 52 HG LEU 7 HG LEU 7 5.363 -12.489 0.360 53 HD11 LEU 7 1HD1 LEU 7 2.993 -11.508 -0.056 54 HD12 LEU 7 2HD1 LEU 7 2.487 -13.214 -0.126 55 HD13 LEU 7 3HD1 LEU 7 3.267 -12.576 1.341 56 HD21 LEU 7 1HD2 LEU 7 4.983 -14.753 -1.356 57 HD22 LEU 7 2HD2 LEU 7 5.687 -14.679 0.278 58 HD23 LEU 7 3HD2 LEU 7 3.934 -14.916 0.074 59 H LYS 8 HN LYS 8 5.036 -13.152 -4.290 60 HA LYS 8 HA LYS 8 6.670 -11.631 -6.142 61 HB2 LYS 8 2HB LYS 8 4.479 -13.631 -6.752 62 HB3 LYS 8 3HB LYS 8 5.710 -13.032 -7.845 63 HG2 LYS 8 2HG LYS 8 6.622 -15.094 -7.182 64 HG3 LYS 8 3HG LYS 8 7.422 -13.983 -6.088 65 HD2 LYS 8 2HD LYS 8 6.215 -14.704 -4.233 66 HD3 LYS 8 3HD LYS 8 4.786 -15.088 -5.170 67 HE2 LYS 8 2HE LYS 8 5.732 -17.192 -4.439 68 HE3 LYS 8 3HE LYS 8 6.039 -17.069 -6.160 69 HZ1 LYS 8 1HZ LYS 8 7.939 -17.046 -3.987 70 HZ2 LYS 8 2HZ LYS 8 8.168 -17.464 -5.544 71 H ASP 9 HN ASP 9 6.113 -9.568 -6.576 72 HA ASP 9 HA ASP 9 3.725 -8.456 -5.857 73 HB2 ASP 9 2HB ASP 9 4.457 -6.519 -7.030 74 HB3 ASP 9 3HB ASP 9 5.937 -7.325 -6.551 75 HD2 ASP 9 HD2 ASP 9 5.345 -5.976 -9.871 76 H ALA 10 HN ALA 10 4.542 -10.560 -8.505 77 HA ALA 10 HA ALA 10 2.430 -9.619 -10.240 78 HB1 ALA 10 1HB ALA 10 3.684 -10.628 -11.809 79 HB2 ALA 10 2HB ALA 10 4.870 -11.012 -10.538 80 HB3 ALA 10 3HB ALA 10 3.594 -12.183 -10.948 81 H GLU 11 HN GLU 11 3.037 -12.061 -7.744 82 HA GLU 11 HA GLU 11 0.672 -13.510 -8.478 83 HB2 GLU 11 2HB GLU 11 2.592 -13.849 -6.132 84 HB3 GLU 11 3HB GLU 11 1.280 -14.947 -6.513 85 HG2 GLU 11 2HG GLU 11 3.449 -14.262 -8.541 86 HG3 GLU 11 3HG GLU 11 3.631 -15.576 -7.397 87 HE2 GLU 11 HE2 GLU 11 3.175 -15.585 -10.355 88 H VAL 12 HN VAL 12 1.876 -11.815 -5.485 89 HA VAL 12 HA VAL 12 -0.313 -11.860 -3.956 90 HB VAL 12 HB VAL 12 0.476 -9.883 -2.920 91 HG11 VAL 12 1HG1 VAL 12 3.108 -10.733 -3.989 92 HG12 VAL 12 2HG1 VAL 12 2.516 -10.659 -2.313 93 HG13 VAL 12 3HG1 VAL 12 2.073 -12.034 -3.354 94 HG21 VAL 12 1HG2 VAL 12 1.868 -9.249 -5.542 95 HG22 VAL 12 2HG2 VAL 12 0.526 -8.355 -4.787 96 HG23 VAL 12 3HG2 VAL 12 2.131 -8.366 -4.018 97 H THR 13 HN THR 13 0.278 -9.493 -6.642 98 HA THR 13 HA THR 13 -2.018 -8.018 -6.408 99 HB THR 13 HB THR 13 0.125 -8.051 -8.069 100 HG1 THR 13 HG1 THR 13 -2.584 -7.152 -8.754 101 HG21 THR 13 1HG2 THR 13 -2.232 -9.142 -9.696 102 HG22 THR 13 2HG2 THR 13 -0.768 -8.415 -10.400 103 HG23 THR 13 3HG2 THR 13 -0.653 -9.936 -9.482 104 H ALA 14 HN ALA 14 -1.599 -11.108 -8.251 105 HA ALA 14 HA ALA 14 -4.228 -11.218 -9.158 106 HB1 ALA 14 1HB ALA 14 -3.006 -13.821 -8.579 107 HB2 ALA 14 2HB ALA 14 -3.454 -13.095 -10.141 108 HB3 ALA 14 3HB ALA 14 -1.884 -12.708 -9.398 109 H ALA 15 HN ALA 15 -2.709 -12.096 -6.048 110 HA ALA 15 HA ALA 15 -4.977 -13.540 -5.106 111 HB1 ALA 15 1HB ALA 15 -3.641 -13.978 -3.295 112 HB2 ALA 15 2HB ALA 15 -2.365 -13.446 -4.416 113 HB3 ALA 15 3HB ALA 15 -3.022 -12.312 -3.212 114 H LEU 16 HN LEU 16 -4.025 -10.163 -5.352 115 HA LEU 16 HA LEU 16 -5.740 -9.258 -3.261 116 HB2 LEU 16 2HB LEU 16 -4.027 -8.026 -5.367 117 HB3 LEU 16 3HB LEU 16 -5.290 -7.043 -4.652 118 HG LEU 16 HG LEU 16 -3.350 -8.521 -2.889 119 HD11 LEU 16 1HD1 LEU 16 -2.444 -5.855 -3.160 120 HD12 LEU 16 2HD1 LEU 16 -1.605 -7.360 -3.608 121 HD13 LEU 16 3HD1 LEU 16 -2.618 -6.515 -4.804 122 HD21 LEU 16 1HD2 LEU 16 -4.088 -5.883 -2.021 123 HD22 LEU 16 2HD2 LEU 16 -5.548 -6.805 -2.451 124 HD23 LEU 16 3HD2 LEU 16 -4.404 -7.458 -1.254 125 H ASP 17 HN ASP 17 -5.926 -9.577 -6.846 126 HA ASP 17 HA ASP 17 -8.460 -8.356 -6.957 127 HB2 ASP 17 2HB ASP 17 -6.631 -8.754 -8.821 128 HB3 ASP 17 3HB ASP 17 -7.394 -10.320 -9.012 129 HD2 ASP 17 HD2 ASP 17 -8.237 -6.898 -10.155 130 H GLY 18 HN GLY 18 -7.241 -11.476 -6.036 131 HA2 GLY 18 1HA GLY 18 -9.426 -13.104 -6.880 132 HA3 GLY 18 2HA GLY 18 -8.172 -13.510 -5.724 133 H CYS 19 HN CYS 19 -9.264 -10.579 -4.619 134 HA CYS 19 HA CYS 19 -11.562 -11.703 -3.226 135 HB2 CYS 19 2HB CYS 19 -9.470 -10.186 -1.667 136 HB3 CYS 19 3HB CYS 19 -10.787 -11.175 -1.066 137 HG CYS 19 HG CYS 19 -9.018 -12.771 -0.547 138 H LYS 20 HN LYS 20 -11.008 -9.752 -5.489 139 HA LYS 20 HA LYS 20 -11.207 -7.129 -4.568 140 HB2 LYS 20 2HB LYS 20 -11.823 -6.587 -6.844 141 HB3 LYS 20 3HB LYS 20 -10.529 -7.767 -6.844 142 HG2 LYS 20 2HG LYS 20 -12.324 -9.587 -7.085 143 HG3 LYS 20 3HG LYS 20 -13.493 -8.304 -7.329 144 HD2 LYS 20 2HD LYS 20 -12.438 -7.567 -9.357 145 HD3 LYS 20 3HD LYS 20 -10.965 -8.452 -9.013 146 HE2 LYS 20 2HE LYS 20 -12.076 -9.781 -10.650 147 HE3 LYS 20 3HE LYS 20 -12.394 -10.608 -9.138 148 HZ1 LYS 20 1HZ LYS 20 -14.284 -9.588 -10.907 149 HZ2 LYS 20 2HZ LYS 20 -14.578 -10.282 -9.464 150 H ALA 21 HN ALA 21 -13.724 -9.570 -5.451 151 HA ALA 21 HA ALA 21 -15.864 -7.783 -4.901 152 HB1 ALA 21 1HB ALA 21 -16.434 -10.664 -4.741 153 HB2 ALA 21 2HB ALA 21 -17.081 -9.433 -5.852 154 HB3 ALA 21 3HB ALA 21 -15.520 -10.214 -6.201 155 H ALA 22 HN ALA 22 -16.586 -7.141 -2.938 156 HA ALA 22 HA ALA 22 -15.453 -8.110 -0.571 157 HB1 ALA 22 1HB ALA 22 -18.006 -6.526 -1.072 158 HB2 ALA 22 2HB ALA 22 -17.190 -6.698 0.501 159 HB3 ALA 22 3HB ALA 22 -16.376 -5.849 -0.835 160 H GLY 23 HN GLY 23 -16.179 -9.577 0.992 161 HA2 GLY 23 1HA GLY 23 -17.671 -11.049 1.958 162 HA3 GLY 23 2HA GLY 23 -18.736 -10.915 0.572 163 H SER 24 HN SER 24 -16.302 -11.261 -1.304 164 HA SER 24 HA SER 24 -16.336 -14.152 -1.124 165 HB2 SER 24 2HB SER 24 -16.103 -14.199 -3.430 166 HB3 SER 24 3HB SER 24 -16.916 -12.657 -3.248 167 HG SER 24 HG SER 24 -14.127 -13.172 -3.742 168 H PHE 25 HN PHE 25 -14.587 -12.027 0.407 169 HA PHE 25 HA PHE 25 -11.950 -12.750 -0.545 170 HB2 PHE 25 2HB PHE 25 -12.190 -10.461 0.165 171 HB3 PHE 25 3HB PHE 25 -13.243 -10.894 1.498 172 HD1 PHE 25 HD1 PHE 25 -12.247 -11.975 3.538 173 HD2 PHE 25 HD2 PHE 25 -9.847 -10.300 0.466 174 HE1 PHE 25 HE1 PHE 25 -10.293 -11.892 5.110 175 HE2 PHE 25 HE2 PHE 25 -7.892 -10.217 2.038 176 HZ PHE 25 HZ PHE 25 -8.138 -11.014 4.341 177 H ASP 26 HN ASP 26 -10.386 -13.898 0.704 178 HA ASP 26 HA ASP 26 -11.378 -15.090 3.142 179 HB2 ASP 26 2HB ASP 26 -10.725 -16.516 0.592 180 HB3 ASP 26 3HB ASP 26 -10.059 -17.237 2.043 181 HD2 ASP 26 HD2 ASP 26 -13.557 -17.469 3.235 182 H HIS 27 HN HIS 27 -9.701 -15.102 4.676 183 HA HIS 27 HA HIS 27 -7.217 -13.979 3.950 184 HB2 HIS 27 2HB HIS 27 -6.648 -14.545 6.361 185 HB3 HIS 27 3HB HIS 27 -7.993 -13.455 6.093 186 HD1 HIS 27 HD1 HIS 27 -7.267 -17.057 7.075 187 HD2 HIS 27 HD2 HIS 27 -10.446 -14.321 7.080 188 HE1 HIS 27 HE1 HIS 27 -9.145 -18.146 8.416 189 H LYS 28 HN LYS 28 -8.048 -17.240 5.341 190 HA LYS 28 HA LYS 28 -5.600 -18.392 5.057 191 HB2 LYS 28 2HB LYS 28 -8.409 -19.457 5.006 192 HB3 LYS 28 3HB LYS 28 -7.070 -20.544 4.695 193 HG2 LYS 28 2HG LYS 28 -6.022 -19.442 6.873 194 HG3 LYS 28 3HG LYS 28 -7.673 -18.959 7.206 195 HD2 LYS 28 2HD LYS 28 -6.995 -21.841 6.507 196 HD3 LYS 28 3HD LYS 28 -6.841 -21.252 8.150 197 HE2 LYS 28 2HE LYS 28 -9.410 -21.005 6.515 198 HE3 LYS 28 3HE LYS 28 -9.085 -22.341 7.602 199 HZ1 LYS 28 1HZ LYS 28 -9.738 -21.047 9.298 200 HZ2 LYS 28 2HZ LYS 28 -8.593 -19.935 8.979 201 H LYS 29 HN LYS 29 -8.129 -17.857 2.567 202 HA LYS 29 HA LYS 29 -6.857 -19.400 0.583 203 HB2 LYS 29 2HB LYS 29 -8.839 -17.119 0.321 204 HB3 LYS 29 3HB LYS 29 -8.407 -18.248 -0.948 205 HG2 LYS 29 2HG LYS 29 -9.506 -19.171 1.742 206 HG3 LYS 29 3HG LYS 29 -10.552 -18.775 0.393 207 HD2 LYS 29 2HD LYS 29 -9.196 -20.453 -1.009 208 HD3 LYS 29 3HD LYS 29 -8.413 -20.948 0.478 209 HE2 LYS 29 2HE LYS 29 -10.952 -21.164 1.342 210 HE3 LYS 29 3HE LYS 29 -11.285 -21.324 -0.372 211 HZ1 LYS 29 1HZ LYS 29 -9.922 -23.178 1.381 212 HZ2 LYS 29 2HZ LYS 29 -10.747 -23.480 0.010 213 H PHE 30 HN PHE 30 -6.956 -15.820 1.199 214 HA PHE 30 HA PHE 30 -5.400 -14.948 -0.806 215 HB2 PHE 30 2HB PHE 30 -6.490 -13.852 1.378 216 HB3 PHE 30 3HB PHE 30 -4.920 -14.129 2.104 217 HD1 PHE 30 HD1 PHE 30 -2.875 -13.144 0.834 218 HD2 PHE 30 HD2 PHE 30 -6.878 -11.895 0.184 219 HE1 PHE 30 HE1 PHE 30 -2.043 -10.986 -0.142 220 HE2 PHE 30 HE2 PHE 30 -6.047 -9.737 -0.792 221 HZ PHE 30 HZ PHE 30 -3.639 -9.308 -0.944 222 H PHE 31 HN PHE 31 -4.057 -15.847 2.460 223 HA PHE 31 HA PHE 31 -1.416 -15.656 1.786 224 HB2 PHE 31 2HB PHE 31 -2.947 -17.604 3.610 225 HB3 PHE 31 3HB PHE 31 -1.210 -17.393 3.696 226 HD1 PHE 31 HD1 PHE 31 -4.263 -16.371 5.049 227 HD2 PHE 31 HD2 PHE 31 -0.436 -14.867 4.003 228 HE1 PHE 31 HE1 PHE 31 -4.573 -14.466 6.654 229 HE2 PHE 31 HE2 PHE 31 -0.746 -12.962 5.608 230 HZ PHE 31 HZ PHE 31 -2.811 -12.785 6.914 231 H LYS 32 HN LYS 32 -3.765 -18.151 0.916 232 HA LYS 32 HA LYS 32 -1.685 -20.013 0.159 233 HB2 LYS 32 2HB LYS 32 -3.986 -20.568 1.217 234 HB3 LYS 32 3HB LYS 32 -4.635 -20.314 -0.391 235 HG2 LYS 32 2HG LYS 32 -2.685 -21.938 -1.154 236 HG3 LYS 32 3HG LYS 32 -2.646 -22.409 0.533 237 HD2 LYS 32 2HD LYS 32 -5.106 -22.929 0.426 238 HD3 LYS 32 3HD LYS 32 -5.109 -22.503 -1.274 239 HE2 LYS 32 2HE LYS 32 -4.895 -25.000 -0.795 240 HE3 LYS 32 3HE LYS 32 -3.657 -24.345 -1.848 241 HZ1 LYS 32 1HZ LYS 32 -3.306 -25.578 0.665 242 HZ2 LYS 32 2HZ LYS 32 -2.154 -25.081 -0.373 243 H ALA 33 HN ALA 33 -3.593 -17.405 -1.204 244 HA ALA 33 HA ALA 33 -3.213 -18.298 -3.917 245 HB1 ALA 33 1HB ALA 33 -4.610 -16.093 -2.471 246 HB2 ALA 33 2HB ALA 33 -4.075 -15.742 -4.132 247 HB3 ALA 33 3HB ALA 33 -5.169 -17.111 -3.819 248 H CYS 34 HN CYS 34 -1.597 -16.283 -1.498 249 HA CYS 34 HA CYS 34 0.113 -15.133 -3.539 250 HB2 CYS 34 2HB CYS 34 0.438 -14.623 -0.591 251 HB3 CYS 34 3HB CYS 34 0.816 -13.579 -1.947 252 HG CYS 34 HG CYS 34 -1.303 -12.830 -0.362 253 H GLY 35 HN GLY 35 -0.068 -17.660 -1.071 254 HA2 GLY 35 1HA GLY 35 1.385 -19.535 -1.261 255 HA3 GLY 35 2HA GLY 35 2.684 -18.470 -1.762 256 H LEU 36 HN LEU 36 1.417 -16.527 0.469 257 HA LEU 36 HA LEU 36 3.338 -16.731 2.332 258 HB2 LEU 36 2HB LEU 36 0.509 -15.781 2.407 259 HB3 LEU 36 3HB LEU 36 1.410 -15.852 3.908 260 HG LEU 36 HG LEU 36 2.600 -14.451 1.530 261 HD11 LEU 36 1HD1 LEU 36 1.101 -12.718 3.376 262 HD12 LEU 36 2HD1 LEU 36 1.260 -12.656 1.604 263 HD13 LEU 36 3HD1 LEU 36 0.086 -13.764 2.354 264 HD21 LEU 36 1HD2 LEU 36 3.243 -14.796 4.323 265 HD22 LEU 36 2HD2 LEU 36 4.213 -14.086 3.009 266 HD23 LEU 36 3HD2 LEU 36 3.077 -13.069 3.928 267 H SER 37 HN SER 37 0.553 -18.871 1.896 268 HA SER 37 HA SER 37 0.603 -19.992 4.442 269 HB2 SER 37 2HB SER 37 -1.345 -20.571 3.366 270 HB3 SER 37 3HB SER 37 -0.585 -20.640 1.788 271 HG SER 37 HG SER 37 0.168 -22.724 2.195 272 H GLY 38 HN GLY 38 2.071 -21.027 1.283 273 HA2 GLY 38 1HA GLY 38 3.501 -23.201 2.554 274 HA3 GLY 38 2HA GLY 38 3.522 -22.743 0.863 275 H LYS 39 HN LYS 39 3.920 -19.925 2.724 276 HA LYS 39 HA LYS 39 6.675 -19.761 1.972 277 HB2 LYS 39 2HB LYS 39 4.671 -17.911 3.241 278 HB3 LYS 39 3HB LYS 39 6.375 -17.508 3.273 279 HG2 LYS 39 2HG LYS 39 4.709 -18.088 0.779 280 HG3 LYS 39 3HG LYS 39 5.307 -16.519 1.280 281 HD2 LYS 39 2HD LYS 39 7.673 -17.837 1.241 282 HD3 LYS 39 3HD LYS 39 6.812 -18.836 0.086 283 HE2 LYS 39 2HE LYS 39 6.108 -16.438 -0.927 284 HE3 LYS 39 3HE LYS 39 7.575 -15.924 -0.117 285 HZ1 LYS 39 1HZ LYS 39 7.300 -17.815 -2.344 286 HZ2 LYS 39 2HZ LYS 39 8.398 -16.630 -2.140 287 H SER 40 HN SER 40 8.006 -18.493 3.973 288 HA SER 40 HA SER 40 8.110 -20.610 5.951 289 HB2 SER 40 2HB SER 40 10.116 -18.456 5.157 290 HB3 SER 40 3HB SER 40 10.376 -19.571 6.483 291 HG SER 40 HG SER 40 11.143 -20.920 5.018 292 H THR 41 HN THR 41 8.186 -20.109 8.245 293 HA THR 41 HA THR 41 6.484 -18.003 9.008 294 HB THR 41 HB THR 41 8.185 -20.122 10.322 295 HG1 THR 41 HG1 THR 41 6.030 -20.669 9.881 296 HG21 THR 41 1HG2 THR 41 8.618 -18.446 11.967 297 HG22 THR 41 2HG2 THR 41 7.066 -17.629 11.664 298 HG23 THR 41 3HG2 THR 41 7.099 -19.183 12.530 299 H ASP 42 HN ASP 42 9.773 -17.968 8.073 300 HA ASP 42 HA ASP 42 10.677 -16.020 9.862 301 HB2 ASP 42 2HB ASP 42 12.156 -17.477 8.466 302 HB3 ASP 42 3HB ASP 42 11.582 -16.675 7.018 303 HD2 ASP 42 HD2 ASP 42 14.511 -15.162 7.242 304 H GLU 43 HN GLU 43 9.876 -15.836 6.300 305 HA GLU 43 HA GLU 43 9.927 -13.115 6.118 306 HB2 GLU 43 2HB GLU 43 8.970 -13.394 3.982 307 HB3 GLU 43 3HB GLU 43 9.737 -14.942 4.277 308 HG2 GLU 43 2HG GLU 43 7.565 -15.894 5.038 309 HG3 GLU 43 3HG GLU 43 6.787 -14.342 4.803 310 HE2 GLU 43 HE2 GLU 43 8.501 -16.812 3.036 311 H VAL 44 HN VAL 44 7.296 -15.311 7.174 312 HA VAL 44 HA VAL 44 5.140 -13.656 7.067 313 HB VAL 44 HB VAL 44 5.948 -15.659 9.183 314 HG11 VAL 44 1HG1 VAL 44 3.493 -15.816 9.652 315 HG12 VAL 44 2HG1 VAL 44 4.223 -14.263 10.126 316 HG13 VAL 44 3HG1 VAL 44 3.253 -14.373 8.638 317 HG21 VAL 44 1HG2 VAL 44 4.895 -17.300 7.909 318 HG22 VAL 44 2HG2 VAL 44 3.953 -16.117 6.972 319 HG23 VAL 44 3HG2 VAL 44 5.697 -16.304 6.672 320 H LYS 45 HN LYS 45 7.719 -13.793 9.597 321 HA LYS 45 HA LYS 45 6.570 -11.896 11.283 322 HB2 LYS 45 2HB LYS 45 9.452 -12.730 10.862 323 HB3 LYS 45 3HB LYS 45 8.922 -11.673 12.154 324 HG2 LYS 45 2HG LYS 45 7.628 -13.378 13.198 325 HG3 LYS 45 3HG LYS 45 7.559 -14.352 11.743 326 HD2 LYS 45 2HD LYS 45 9.933 -14.925 11.929 327 HD3 LYS 45 3HD LYS 45 10.156 -13.789 13.245 328 HE2 LYS 45 2HE LYS 45 8.324 -16.234 13.353 329 HE3 LYS 45 3HE LYS 45 9.937 -16.168 14.034 330 HZ1 LYS 45 1HZ LYS 45 7.679 -14.417 14.852 331 HZ2 LYS 45 2HZ LYS 45 8.265 -15.665 15.719 332 H LYS 46 HN LYS 46 8.415 -11.623 8.260 333 HA LYS 46 HA LYS 46 8.776 -8.780 8.634 334 HB2 LYS 46 2HB LYS 46 9.356 -10.193 6.058 335 HB3 LYS 46 3HB LYS 46 10.204 -8.865 6.822 336 HG2 LYS 46 2HG LYS 46 10.233 -11.795 7.670 337 HG3 LYS 46 3HG LYS 46 11.578 -10.864 7.041 338 HD2 LYS 46 2HD LYS 46 10.170 -9.961 9.573 339 HD3 LYS 46 3HD LYS 46 11.360 -11.244 9.648 340 HE2 LYS 46 2HE LYS 46 12.466 -9.096 10.082 341 HE3 LYS 46 3HE LYS 46 13.047 -9.743 8.560 342 HZ1 LYS 46 1HZ LYS 46 10.852 -7.751 8.740 343 HZ2 LYS 46 2HZ LYS 46 12.405 -7.353 8.454 344 H ALA 47 HN ALA 47 6.414 -11.006 7.373 345 HA ALA 47 HA ALA 47 5.277 -9.081 5.551 346 HB1 ALA 47 1HB ALA 47 4.474 -11.859 6.492 347 HB2 ALA 47 2HB ALA 47 3.532 -10.904 5.322 348 HB3 ALA 47 3HB ALA 47 5.194 -11.407 4.928 349 H PHE 48 HN PHE 48 5.278 -9.653 8.928 350 HA PHE 48 HA PHE 48 2.556 -8.890 9.381 351 HB2 PHE 48 2HB PHE 48 3.789 -10.379 10.932 352 HB3 PHE 48 3HB PHE 48 5.104 -9.228 11.063 353 HD1 PHE 48 HD1 PHE 48 1.621 -9.910 12.041 354 HD2 PHE 48 HD2 PHE 48 4.989 -7.387 12.586 355 HE1 PHE 48 HE1 PHE 48 0.540 -8.905 14.071 356 HE2 PHE 48 HE2 PHE 48 3.908 -6.383 14.617 357 HZ PHE 48 HZ PHE 48 1.697 -7.154 15.335 358 H ALA 49 HN ALA 49 5.615 -7.273 8.837 359 HA ALA 49 HA ALA 49 4.764 -4.853 10.175 360 HB1 ALA 49 1HB ALA 49 7.240 -5.983 9.007 361 HB2 ALA 49 2HB ALA 49 7.036 -4.232 8.763 362 HB3 ALA 49 3HB ALA 49 7.023 -4.909 10.409 363 H ILE 50 HN ILE 50 4.783 -6.344 6.963 364 HA ILE 50 HA ILE 50 4.599 -4.064 5.402 365 HB ILE 50 HB ILE 50 3.323 -6.766 4.962 366 HG12 ILE 50 2HG1 ILE 50 5.627 -7.143 5.408 367 HG13 ILE 50 3HG1 ILE 50 5.420 -7.235 3.671 368 HG21 ILE 50 1HG2 ILE 50 2.596 -4.784 3.507 369 HG22 ILE 50 2HG2 ILE 50 4.244 -4.837 2.836 370 HG23 ILE 50 3HG2 ILE 50 3.175 -6.252 2.685 371 HD11 ILE 50 1HD1 ILE 50 7.188 -5.783 3.618 372 HD12 ILE 50 2HD1 ILE 50 5.954 -4.550 3.971 373 HD13 ILE 50 3HD1 ILE 50 6.919 -5.248 5.294 374 H ILE 51 HN ILE 51 2.050 -5.961 7.121 375 HA ILE 51 HA ILE 51 -0.054 -4.331 6.151 376 HB ILE 51 HB ILE 51 0.001 -6.135 8.570 377 HG12 ILE 51 2HG1 ILE 51 -1.002 -7.056 5.908 378 HG13 ILE 51 3HG1 ILE 51 0.731 -7.017 6.163 379 HG21 ILE 51 1HG2 ILE 51 -2.322 -6.163 8.496 380 HG22 ILE 51 2HG2 ILE 51 -1.924 -4.458 8.173 381 HG23 ILE 51 3HG2 ILE 51 -2.380 -5.535 6.831 382 HD11 ILE 51 1HD1 ILE 51 -1.089 -9.011 7.042 383 HD12 ILE 51 2HD1 ILE 51 0.642 -8.888 7.435 384 HD13 ILE 51 3HD1 ILE 51 -0.569 -8.149 8.510 385 H ASP 52 HN ASP 52 1.311 -4.669 9.507 386 HA ASP 52 HA ASP 52 0.081 -2.618 10.657 387 HB2 ASP 52 2HB ASP 52 3.046 -3.299 10.937 388 HB3 ASP 52 3HB ASP 52 2.127 -2.365 12.101 389 HD2 ASP 52 HD2 ASP 52 3.001 -4.741 13.400 390 H GLN 53 HN GLN 53 -0.240 -0.601 9.654 391 HA GLN 53 HA GLN 53 1.903 0.537 8.134 392 HB2 GLN 53 2HB GLN 53 -0.836 1.709 8.786 393 HB3 GLN 53 3HB GLN 53 0.263 2.273 7.544 394 HG2 GLN 53 2HG GLN 53 0.101 0.024 6.415 395 HG3 GLN 53 3HG GLN 53 -1.053 -0.483 7.633 396 HE21 GLN 53 1HE2 GLN 53 -2.803 1.335 8.019 397 HE22 GLN 53 2HE2 GLN 53 -3.615 1.881 6.590 398 H ASP 54 HN ASP 54 0.809 0.563 11.311 399 HA ASP 54 HA ASP 54 2.273 3.110 11.925 400 HB2 ASP 54 2HB ASP 54 0.724 3.342 13.778 401 HB3 ASP 54 3HB ASP 54 -0.220 3.002 12.330 402 H LYS 55 HN LYS 55 2.405 -0.349 12.176 403 HA LYS 55 HA LYS 55 3.507 -1.750 13.494 404 HB2 LYS 55 2HB LYS 55 5.580 0.344 14.039 405 HB3 LYS 55 3HB LYS 55 5.779 -1.349 13.635 406 HG2 LYS 55 2HG LYS 55 4.783 0.813 11.717 407 HG3 LYS 55 3HG LYS 55 6.404 0.148 11.734 408 HD2 LYS 55 2HD LYS 55 3.882 -1.516 11.286 409 HD3 LYS 55 3HD LYS 55 4.883 -0.888 9.992 410 HE2 LYS 55 2HE LYS 55 5.824 -3.007 10.228 411 HE3 LYS 55 3HE LYS 55 6.852 -2.103 11.321 412 HZ1 LYS 55 1HZ LYS 55 5.213 -4.253 11.975 413 HZ2 LYS 55 2HZ LYS 55 6.100 -3.358 13.007 414 H SER 56 HN SER 56 1.411 -0.983 14.891 415 HA SER 56 HA SER 56 2.096 0.397 17.256 416 HB2 SER 56 2HB SER 56 -0.230 -0.751 17.941 417 HB3 SER 56 3HB SER 56 -0.163 0.626 16.859 418 HG SER 56 HG SER 56 -1.353 -0.747 15.655 419 H GLY 57 HN GLY 57 2.712 -2.757 16.103 420 HA2 GLY 57 1HA GLY 57 4.105 -4.179 17.403 421 HA3 GLY 57 2HA GLY 57 3.243 -3.694 18.849 422 H PHE 58 HN PHE 58 0.646 -3.820 17.028 423 HA PHE 58 HA PHE 58 0.439 -6.718 16.827 424 HB2 PHE 58 2HB PHE 58 -1.378 -4.789 18.392 425 HB3 PHE 58 3HB PHE 58 -1.803 -6.459 18.074 426 HD1 PHE 58 HD1 PHE 58 -0.803 -4.468 20.592 427 HD2 PHE 58 HD2 PHE 58 0.463 -8.035 18.673 428 HE1 PHE 58 HE1 PHE 58 0.392 -5.170 22.685 429 HE2 PHE 58 HE2 PHE 58 1.658 -8.737 20.765 430 HZ PHE 58 HZ PHE 58 1.608 -7.296 22.746 431 H ILE 59 HN ILE 59 -2.163 -7.054 16.144 432 HA ILE 59 HA ILE 59 -2.624 -5.101 14.003 433 HB ILE 59 HB ILE 59 -2.383 -8.073 13.862 434 HG12 ILE 59 2HG1 ILE 59 -1.535 -5.777 12.073 435 HG13 ILE 59 3HG1 ILE 59 -0.505 -6.711 13.139 436 HG21 ILE 59 1HG2 ILE 59 -4.449 -6.432 12.490 437 HG22 ILE 59 2HG2 ILE 59 -3.571 -7.627 11.505 438 HG23 ILE 59 3HG2 ILE 59 -4.460 -8.150 12.956 439 HD11 ILE 59 1HD1 ILE 59 -1.826 -8.655 11.571 440 HD12 ILE 59 2HD1 ILE 59 -1.420 -7.345 10.436 441 HD13 ILE 59 3HD1 ILE 59 -0.138 -8.118 11.400 442 H GLU 60 HN GLU 60 -4.088 -4.082 15.561 443 HA GLU 60 HA GLU 60 -6.067 -5.335 16.904 444 HB2 GLU 60 2HB GLU 60 -6.085 -2.604 15.552 445 HB3 GLU 60 3HB GLU 60 -7.316 -3.122 16.687 446 HG2 GLU 60 2HG GLU 60 -5.880 -2.098 18.187 447 HG3 GLU 60 3HG GLU 60 -5.175 -3.702 18.210 448 HE2 GLU 60 HE2 GLU 60 -2.187 -2.566 17.019 449 H GLU 61 HN GLU 61 -8.542 -5.157 16.417 450 HA GLU 61 HA GLU 61 -9.034 -6.727 14.185 451 HB2 GLU 61 2HB GLU 61 -10.417 -6.642 16.289 452 HB3 GLU 61 3HB GLU 61 -11.026 -5.073 15.799 453 HG2 GLU 61 2HG GLU 61 -11.908 -6.111 13.675 454 HG3 GLU 61 3HG GLU 61 -11.355 -7.677 14.234 455 HE2 GLU 61 HE2 GLU 61 -13.863 -6.528 17.002 456 H GLU 62 HN GLU 62 -9.088 -3.208 14.730 457 HA GLU 62 HA GLU 62 -10.533 -2.651 12.369 458 HB2 GLU 62 2HB GLU 62 -8.777 -0.885 14.130 459 HB3 GLU 62 3HB GLU 62 -9.774 -0.283 12.821 460 HG2 GLU 62 2HG GLU 62 -11.799 -1.298 13.952 461 HG3 GLU 62 3HG GLU 62 -10.774 -1.778 15.290 462 HE2 GLU 62 HE2 GLU 62 -9.932 1.826 15.452 463 H GLU 63 HN GLU 63 -7.233 -3.489 13.111 464 HA GLU 63 HA GLU 63 -6.285 -2.285 10.661 465 HB2 GLU 63 2HB GLU 63 -4.959 -3.547 13.068 466 HB3 GLU 63 3HB GLU 63 -4.060 -3.399 11.571 467 HG2 GLU 63 2HG GLU 63 -5.001 -0.879 11.662 468 HG3 GLU 63 3HG GLU 63 -5.120 -1.225 13.376 469 H LEU 64 HN LEU 64 -7.551 -5.265 11.881 470 HA LEU 64 HA LEU 64 -6.105 -7.097 10.344 471 HB2 LEU 64 2HB LEU 64 -8.674 -7.047 11.828 472 HB3 LEU 64 3HB LEU 64 -8.489 -8.302 10.619 473 HG LEU 64 HG LEU 64 -6.604 -7.810 12.942 474 HD11 LEU 64 1HD1 LEU 64 -8.550 -10.097 12.558 475 HD12 LEU 64 2HD1 LEU 64 -7.533 -9.752 13.978 476 HD13 LEU 64 3HD1 LEU 64 -8.877 -8.662 13.559 477 HD21 LEU 64 1HD2 LEU 64 -5.314 -8.729 11.186 478 HD22 LEU 64 2HD2 LEU 64 -5.712 -10.083 12.271 479 HD23 LEU 64 3HD2 LEU 64 -6.596 -9.880 10.739 480 H LYS 65 HN LYS 65 -9.117 -5.213 9.684 481 HA LYS 65 HA LYS 65 -9.597 -6.377 7.182 482 HB2 LYS 65 2HB LYS 65 -11.204 -4.640 6.887 483 HB3 LYS 65 3HB LYS 65 -11.241 -5.112 8.574 484 HG2 LYS 65 2HG LYS 65 -9.743 -3.174 9.137 485 HG3 LYS 65 3HG LYS 65 -9.744 -2.695 7.451 486 HD2 LYS 65 2HD LYS 65 -11.434 -1.518 9.045 487 HD3 LYS 65 3HD LYS 65 -12.026 -2.062 7.488 488 HE2 LYS 65 2HE LYS 65 -13.543 -2.665 9.423 489 HE3 LYS 65 3HE LYS 65 -13.043 -4.043 8.462 490 HZ1 LYS 65 1HZ LYS 65 -11.860 -3.224 11.060 491 HZ2 LYS 65 2HZ LYS 65 -12.753 -4.558 10.787 492 H LEU 66 HN LEU 66 -7.072 -4.333 8.288 493 HA LEU 66 HA LEU 66 -6.667 -3.130 5.677 494 HB2 LEU 66 2HB LEU 66 -4.882 -2.853 8.079 495 HB3 LEU 66 3HB LEU 66 -5.050 -1.776 6.707 496 HG LEU 66 HG LEU 66 -7.141 -2.238 8.854 497 HD11 LEU 66 1HD1 LEU 66 -4.890 -0.902 9.283 498 HD12 LEU 66 2HD1 LEU 66 -5.784 0.390 8.446 499 HD13 LEU 66 3HD1 LEU 66 -6.455 -0.343 9.923 500 HD21 LEU 66 1HD2 LEU 66 -7.623 -1.463 6.274 501 HD22 LEU 66 2HD2 LEU 66 -8.632 -1.048 7.681 502 HD23 LEU 66 3HD2 LEU 66 -7.407 0.102 7.094 503 H PHE 67 HN PHE 67 -6.472 -6.150 6.435 504 HA PHE 67 HA PHE 67 -3.779 -6.868 6.309 505 HB2 PHE 67 2HB PHE 67 -5.588 -8.403 6.998 506 HB3 PHE 67 3HB PHE 67 -6.443 -8.156 5.489 507 HD1 PHE 67 HD1 PHE 67 -6.270 -9.789 3.871 508 HD2 PHE 67 HD2 PHE 67 -3.128 -9.386 6.694 509 HE1 PHE 67 HE1 PHE 67 -5.138 -11.806 2.898 510 HE2 PHE 67 HE2 PHE 67 -1.995 -11.404 5.721 511 HZ PHE 67 HZ PHE 67 -3.014 -12.590 3.835 512 H LEU 68 HN LEU 68 -5.783 -5.387 3.950 513 HA LEU 68 HA LEU 68 -4.236 -6.555 1.759 514 HB2 LEU 68 2HB LEU 68 -6.793 -4.951 1.808 515 HB3 LEU 68 3HB LEU 68 -5.948 -5.399 0.340 516 HG LEU 68 HG LEU 68 -7.509 -7.106 2.239 517 HD11 LEU 68 1HD1 LEU 68 -7.681 -7.990 -0.435 518 HD12 LEU 68 2HD1 LEU 68 -8.895 -7.093 0.509 519 HD13 LEU 68 3HD1 LEU 68 -7.712 -6.211 -0.486 520 HD21 LEU 68 1HD2 LEU 68 -5.479 -8.309 2.324 521 HD22 LEU 68 2HD2 LEU 68 -6.486 -9.136 1.112 522 HD23 LEU 68 3HD2 LEU 68 -5.166 -8.064 0.589 523 H GLN 69 HN GLN 69 -4.313 -3.900 3.912 524 HA GLN 69 HA GLN 69 -3.441 -1.936 2.080 525 HB2 GLN 69 2HB GLN 69 -3.414 -2.107 5.119 526 HB3 GLN 69 3HB GLN 69 -2.824 -0.703 4.252 527 HG2 GLN 69 2HG GLN 69 -5.211 -0.931 3.007 528 HG3 GLN 69 3HG GLN 69 -5.642 -1.739 4.501 529 HE21 GLN 69 1HE2 GLN 69 -7.086 -0.035 4.929 530 HE22 GLN 69 2HE2 GLN 69 -6.555 1.482 5.573 531 H ASN 70 HN ASN 70 -1.982 -4.746 3.114 532 HA ASN 70 HA ASN 70 0.606 -3.667 3.618 533 HB2 ASN 70 2HB ASN 70 1.205 -6.224 3.397 534 HB3 ASN 70 3HB ASN 70 0.229 -5.714 4.760 535 HD21 ASN 70 1HD2 ASN 70 -0.085 -8.179 4.419 536 HD22 ASN 70 2HD2 ASN 70 -1.506 -8.647 3.546 537 H PHE 71 HN PHE 71 -1.148 -5.491 1.020 538 HA PHE 71 HA PHE 71 1.154 -5.394 -0.713 539 HB2 PHE 71 2HB PHE 71 -1.765 -6.187 -1.258 540 HB3 PHE 71 3HB PHE 71 -0.367 -6.703 -2.179 541 HD1 PHE 71 HD1 PHE 71 1.364 -8.171 -0.977 542 HD2 PHE 71 HD2 PHE 71 -2.538 -7.471 0.538 543 HE1 PHE 71 HE1 PHE 71 1.555 -10.219 0.462 544 HE2 PHE 71 HE2 PHE 71 -2.347 -9.519 1.977 545 HZ PHE 71 HZ PHE 71 -0.302 -10.868 1.921 546 H LYS 72 HN LYS 72 -0.780 -2.998 0.283 547 HA LYS 72 HA LYS 72 -0.309 -1.386 -1.940 548 HB2 LYS 72 2HB LYS 72 -2.094 -2.825 -2.946 549 HB3 LYS 72 3HB LYS 72 -3.206 -2.250 -1.720 550 HG2 LYS 72 2HG LYS 72 -3.659 -0.709 -3.402 551 HG3 LYS 72 3HG LYS 72 -2.398 0.158 -2.548 552 HD2 LYS 72 2HD LYS 72 -1.551 0.300 -4.706 553 HD3 LYS 72 3HD LYS 72 -0.784 -1.192 -4.201 554 HE2 LYS 72 2HE LYS 72 -2.941 -2.365 -5.152 555 HE3 LYS 72 3HE LYS 72 -3.227 -0.843 -5.973 556 HZ1 LYS 72 1HZ LYS 72 -0.534 -1.936 -6.221 557 HZ2 LYS 72 2HZ LYS 72 -1.703 -2.748 -7.012 558 H ALA 73 HN ALA 73 -0.894 0.831 -1.507 559 HA ALA 73 HA ALA 73 -1.487 1.219 1.331 560 HB1 ALA 73 1HB ALA 73 0.368 2.491 1.090 561 HB2 ALA 73 2HB ALA 73 0.243 2.491 -0.686 562 HB3 ALA 73 3HB ALA 73 -0.700 3.657 0.274 563 H GLY 74 HN GLY 74 -3.447 0.592 -0.963 564 HA2 GLY 74 1HA GLY 74 -5.371 2.630 -0.223 565 HA3 GLY 74 2HA GLY 74 -4.906 2.633 -1.913 566 H ALA 75 HN ALA 75 -4.809 -0.410 -0.099 567 HA ALA 75 HA ALA 75 -6.613 -1.619 -1.914 568 HB1 ALA 75 1HB ALA 75 -4.987 -2.394 0.470 569 HB2 ALA 75 2HB ALA 75 -6.372 -3.436 0.066 570 HB3 ALA 75 3HB ALA 75 -5.092 -3.151 -1.138 571 H ARG 76 HN ARG 76 -8.593 -2.882 -1.128 572 HA ARG 76 HA ARG 76 -10.263 -1.006 0.180 573 HB2 ARG 76 2HB ARG 76 -12.074 -2.563 -0.363 574 HB3 ARG 76 3HB ARG 76 -11.004 -2.461 -1.748 575 HG2 ARG 76 2HG ARG 76 -11.119 -4.761 -1.621 576 HG3 ARG 76 3HG ARG 76 -9.799 -4.532 -0.491 577 HD2 ARG 76 2HD ARG 76 -11.158 -4.901 1.396 578 HD3 ARG 76 3HD ARG 76 -12.622 -4.394 0.578 579 HE ARG 76 HE ARG 76 -11.363 -6.845 -0.492 580 HH11 ARG 76 HH1 ARG 76 -14.009 -8.862 0.506 581 HH21 ARG 76 1HH2 ARG 76 -14.751 -6.941 1.732 582 HH22 ARG 76 2HH2 ARG 76 -13.821 -5.481 1.666 583 H ALA 77 HN ALA 77 -11.672 -1.595 2.090 584 HA ALA 77 HA ALA 77 -10.090 -3.111 4.012 585 HB1 ALA 77 1HB ALA 77 -12.539 -1.757 4.936 586 HB2 ALA 77 2HB ALA 77 -10.866 -1.622 5.529 587 HB3 ALA 77 3HB ALA 77 -11.392 -0.668 4.121 588 H LEU 78 HN LEU 78 -10.792 -5.009 4.966 589 HA LEU 78 HA LEU 78 -12.826 -6.428 3.595 590 HB2 LEU 78 2HB LEU 78 -11.163 -7.013 6.041 591 HB3 LEU 78 3HB LEU 78 -12.353 -8.133 5.409 592 HG LEU 78 HG LEU 78 -10.457 -8.953 4.434 593 HD11 LEU 78 1HD1 LEU 78 -12.070 -8.406 2.660 594 HD12 LEU 78 2HD1 LEU 78 -11.259 -6.840 2.415 595 HD13 LEU 78 3HD1 LEU 78 -10.388 -8.355 2.079 596 HD21 LEU 78 1HD2 LEU 78 -9.048 -7.080 5.393 597 HD22 LEU 78 2HD2 LEU 78 -8.495 -7.769 3.847 598 HD23 LEU 78 3HD2 LEU 78 -9.339 -6.202 3.872 599 H SER 79 HN SER 79 -14.945 -6.861 4.156 600 HA SER 79 HA SER 79 -16.213 -5.000 5.751 601 HB2 SER 79 2HB SER 79 -17.284 -7.758 5.023 602 HB3 SER 79 3HB SER 79 -18.226 -6.324 5.380 603 HG SER 79 HG SER 79 -18.117 -5.838 3.307 604 H ASP 80 HN ASP 80 -17.214 -5.176 7.860 605 HA ASP 80 HA ASP 80 -15.770 -6.130 9.840 606 HB2 ASP 80 2HB ASP 80 -18.185 -6.560 10.971 607 HB3 ASP 80 3HB ASP 80 -17.571 -4.949 10.658 608 HD2 ASP 80 HD2 ASP 80 -20.210 -6.226 7.929 609 H ALA 81 HN ALA 81 -17.940 -7.970 7.693 610 HA ALA 81 HA ALA 81 -18.123 -10.294 9.292 611 HB1 ALA 81 1HB ALA 81 -19.450 -11.044 7.590 612 HB2 ALA 81 2HB ALA 81 -19.409 -9.334 7.096 613 HB3 ALA 81 3HB ALA 81 -18.315 -10.509 6.328 614 H GLU 82 HN GLU 82 -16.300 -9.709 6.195 615 HA GLU 82 HA GLU 82 -14.828 -11.973 6.268 616 HB2 GLU 82 2HB GLU 82 -14.049 -9.206 5.254 617 HB3 GLU 82 3HB GLU 82 -13.133 -10.656 4.897 618 HG2 GLU 82 2HG GLU 82 -14.524 -10.669 3.046 619 HG3 GLU 82 3HG GLU 82 -15.545 -11.578 4.142 620 HE2 GLU 82 HE2 GLU 82 -14.921 -8.427 2.983 621 H THR 83 HN THR 83 -13.986 -8.755 7.720 622 HA THR 83 HA THR 83 -11.504 -9.543 8.748 623 HB THR 83 HB THR 83 -13.526 -7.403 9.594 624 HG1 THR 83 HG1 THR 83 -11.078 -7.523 7.974 625 HG21 THR 83 1HG2 THR 83 -11.623 -6.243 10.610 626 HG22 THR 83 2HG2 THR 83 -11.716 -7.864 11.340 627 HG23 THR 83 3HG2 THR 83 -10.506 -7.524 10.080 628 H LYS 84 HN LYS 84 -14.832 -9.889 10.010 629 HA LYS 84 HA LYS 84 -14.125 -10.557 12.619 630 HB2 LYS 84 2HB LYS 84 -16.510 -10.797 10.878 631 HB3 LYS 84 3HB LYS 84 -16.440 -11.933 12.210 632 HG2 LYS 84 2HG LYS 84 -16.316 -10.185 13.850 633 HG3 LYS 84 3HG LYS 84 -15.883 -8.977 12.657 634 HD2 LYS 84 2HD LYS 84 -18.087 -8.850 11.783 635 HD3 LYS 84 3HD LYS 84 -18.536 -10.422 12.415 636 HE2 LYS 84 2HE LYS 84 -19.435 -8.286 13.638 637 HE3 LYS 84 3HE LYS 84 -18.836 -9.613 14.613 638 HZ1 LYS 84 1HZ LYS 84 -17.909 -7.023 14.671 639 HZ2 LYS 84 2HZ LYS 84 -17.199 -8.300 15.392 640 H ALA 85 HN ALA 85 -14.656 -12.626 9.691 641 HA ALA 85 HA ALA 85 -14.011 -15.014 11.077 642 HB1 ALA 85 1HB ALA 85 -14.223 -16.039 8.924 643 HB2 ALA 85 2HB ALA 85 -15.431 -14.733 8.976 644 HB3 ALA 85 3HB ALA 85 -13.908 -14.502 8.084 645 H PHE 86 HN PHE 86 -12.163 -12.354 9.865 646 HA PHE 86 HA PHE 86 -9.815 -13.911 9.304 647 HB2 PHE 86 2HB PHE 86 -10.793 -11.510 8.461 648 HB3 PHE 86 3HB PHE 86 -9.895 -10.917 9.843 649 HD1 PHE 86 HD1 PHE 86 -7.837 -13.398 9.266 650 HD2 PHE 86 HD2 PHE 86 -9.265 -10.019 7.133 651 HE1 PHE 86 HE1 PHE 86 -5.736 -13.377 7.893 652 HE2 PHE 86 HE2 PHE 86 -7.164 -9.998 5.760 653 HZ PHE 86 HZ PHE 86 -5.424 -11.677 6.156 654 H LEU 87 HN LEU 87 -11.220 -12.068 12.013 655 HA LEU 87 HA LEU 87 -8.773 -11.971 13.478 656 HB2 LEU 87 2HB LEU 87 -10.368 -10.248 13.811 657 HB3 LEU 87 3HB LEU 87 -11.654 -11.392 14.140 658 HG LEU 87 HG LEU 87 -10.372 -12.089 16.214 659 HD11 LEU 87 1HD1 LEU 87 -8.710 -10.521 17.105 660 HD12 LEU 87 2HD1 LEU 87 -8.169 -11.263 15.580 661 HD13 LEU 87 3HD1 LEU 87 -8.776 -9.589 15.589 662 HD21 LEU 87 1HD2 LEU 87 -12.168 -10.861 16.837 663 HD22 LEU 87 2HD2 LEU 87 -10.907 -9.694 17.302 664 HD23 LEU 87 3HD2 LEU 87 -11.765 -9.507 15.754 665 H LYS 88 HN LYS 88 -11.912 -13.709 14.086 666 HA LYS 88 HA LYS 88 -10.882 -15.385 16.031 667 HB2 LYS 88 2HB LYS 88 -13.295 -15.327 14.288 668 HB3 LYS 88 3HB LYS 88 -12.907 -16.862 15.038 669 HG2 LYS 88 2HG LYS 88 -13.045 -15.956 17.251 670 HG3 LYS 88 3HG LYS 88 -12.922 -14.304 16.679 671 HD2 LYS 88 2HD LYS 88 -15.155 -14.380 15.712 672 HD3 LYS 88 3HD LYS 88 -15.268 -16.112 15.952 673 HE2 LYS 88 2HE LYS 88 -16.536 -15.142 17.741 674 HE3 LYS 88 3HE LYS 88 -15.035 -15.673 18.474 675 HZ1 LYS 88 1HZ LYS 88 -14.550 -13.095 17.607 676 HZ2 LYS 88 2HZ LYS 88 -16.041 -13.021 18.258 677 H ALA 89 HN ALA 89 -10.345 -15.317 12.597 678 HA ALA 89 HA ALA 89 -9.890 -18.035 12.135 679 HB1 ALA 89 1HB ALA 89 -9.947 -16.953 10.138 680 HB2 ALA 89 2HB ALA 89 -9.341 -15.431 10.835 681 HB3 ALA 89 3HB ALA 89 -8.202 -16.730 10.408 682 H GLY 90 HN GLY 90 -7.579 -15.343 12.938 683 HA2 GLY 90 1HA GLY 90 -5.518 -17.337 13.525 684 HA3 GLY 90 2HA GLY 90 -5.310 -15.604 13.365 685 H ASP 91 HN ASP 91 -6.980 -14.382 15.078 686 HA ASP 91 HA ASP 91 -5.803 -14.781 17.518 687 HB2 ASP 91 2HB ASP 91 -7.303 -12.823 16.483 688 HB3 ASP 91 3HB ASP 91 -8.603 -13.653 17.313 689 HD2 ASP 91 HD2 ASP 91 -8.798 -11.815 18.629 690 H SER 92 HN SER 92 -6.137 -16.421 19.027 691 HA SER 92 HA SER 92 -8.589 -17.947 18.754 692 HB2 SER 92 2HB SER 92 -6.395 -19.152 18.653 693 HB3 SER 92 3HB SER 92 -6.026 -18.600 20.275 694 HG SER 92 HG SER 92 -6.982 -20.440 20.847 695 H ASP 93 HN ASP 93 -7.038 -15.630 20.656 696 HA ASP 93 HA ASP 93 -8.507 -16.251 23.158 697 HB2 ASP 93 2HB ASP 93 -7.065 -14.574 24.093 698 HB3 ASP 93 3HB ASP 93 -6.070 -15.491 22.965 699 H GLY 94 HN GLY 94 -8.889 -14.298 20.232 700 HA2 GLY 94 1HA GLY 94 -10.367 -12.704 19.663 701 HA3 GLY 94 2HA GLY 94 -11.438 -13.438 20.841 702 H ASP 95 HN ASP 95 -8.404 -11.420 20.896 703 HA ASP 95 HA ASP 95 -9.582 -9.986 23.123 704 HB2 ASP 95 2HB ASP 95 -7.266 -9.060 23.411 705 HB3 ASP 95 3HB ASP 95 -7.321 -10.808 23.513 706 HD2 ASP 95 HD2 ASP 95 -4.659 -9.908 22.573 707 H GLY 96 HN GLY 96 -8.780 -9.818 19.714 708 HA2 GLY 96 1HA GLY 96 -9.833 -8.091 18.423 709 HA3 GLY 96 2HA GLY 96 -9.452 -6.941 19.689 710 H LYS 97 HN LYS 97 -6.803 -8.981 19.588 711 HA LYS 97 HA LYS 97 -5.510 -7.452 17.447 712 HB2 LYS 97 2HB LYS 97 -4.194 -8.009 20.114 713 HB3 LYS 97 3HB LYS 97 -3.600 -7.003 18.808 714 HG2 LYS 97 2HG LYS 97 -5.700 -5.549 19.120 715 HG3 LYS 97 3HG LYS 97 -6.029 -6.470 20.575 716 HD2 LYS 97 2HD LYS 97 -3.373 -5.048 20.097 717 HD3 LYS 97 3HD LYS 97 -4.728 -4.273 20.894 718 HE2 LYS 97 2HE LYS 97 -4.709 -5.895 22.705 719 HE3 LYS 97 3HE LYS 97 -3.590 -6.937 21.848 720 HZ1 LYS 97 1HZ LYS 97 -2.980 -4.724 23.502 721 HZ2 LYS 97 2HZ LYS 97 -1.948 -5.797 22.841 722 H ILE 98 HN ILE 98 -3.776 -8.561 16.375 723 HA ILE 98 HA ILE 98 -3.599 -11.406 17.064 724 HB ILE 98 HB ILE 98 -4.358 -10.138 14.471 725 HG12 ILE 98 2HG1 ILE 98 -5.282 -12.469 16.143 726 HG13 ILE 98 3HG1 ILE 98 -6.181 -11.053 15.636 727 HG21 ILE 98 1HG2 ILE 98 -3.684 -12.171 13.252 728 HG22 ILE 98 2HG2 ILE 98 -2.291 -11.275 13.904 729 HG23 ILE 98 3HG2 ILE 98 -2.854 -12.758 14.713 730 HD11 ILE 98 1HD1 ILE 98 -6.989 -12.670 14.145 731 HD12 ILE 98 2HD1 ILE 98 -5.677 -11.943 13.187 732 HD13 ILE 98 3HD1 ILE 98 -5.414 -13.491 14.025 733 H GLY 99 HN GLY 99 -1.562 -11.512 17.897 734 HA2 GLY 99 1HA GLY 99 0.553 -9.817 17.107 735 HA3 GLY 99 2HA GLY 99 0.671 -11.285 18.057 736 H ILE 100 HN ILE 100 2.731 -11.599 16.808 737 HA ILE 100 HA ILE 100 2.431 -12.216 14.012 738 HB ILE 100 HB ILE 100 4.418 -11.106 15.301 739 HG12 ILE 100 2HG1 ILE 100 4.164 -11.700 12.828 740 HG13 ILE 100 3HG1 ILE 100 5.790 -11.519 13.455 741 HG21 ILE 100 1HG2 ILE 100 6.230 -12.772 15.753 742 HG22 ILE 100 2HG2 ILE 100 4.874 -12.818 16.905 743 HG23 ILE 100 3HG2 ILE 100 5.004 -14.057 15.634 744 HD11 ILE 100 1HD1 ILE 100 5.777 -13.528 12.116 745 HD12 ILE 100 2HD1 ILE 100 5.836 -14.051 13.816 746 HD13 ILE 100 3HD1 ILE 100 4.303 -14.124 12.916 747 H ASP 101 HN ASP 101 2.648 -13.901 17.150 748 HA ASP 101 HA ASP 101 3.152 -16.419 16.072 749 HB2 ASP 101 2HB ASP 101 1.512 -16.089 18.583 750 HB3 ASP 101 3HB ASP 101 2.815 -17.216 18.261 751 HD2 ASP 101 HD2 ASP 101 5.287 -14.774 18.861 752 H GLU 102 HN GLU 102 0.263 -14.399 16.510 753 HA GLU 102 HA GLU 102 -1.506 -16.622 16.080 754 HB2 GLU 102 2HB GLU 102 -1.792 -13.734 16.838 755 HB3 GLU 102 3HB GLU 102 -3.152 -14.466 16.010 756 HG2 GLU 102 2HG GLU 102 -3.603 -15.953 17.748 757 HG3 GLU 102 3HG GLU 102 -1.927 -16.051 18.251 758 H PHE 103 HN PHE 103 -0.169 -13.782 14.352 759 HA PHE 103 HA PHE 103 -1.887 -14.050 12.112 760 HB2 PHE 103 2HB PHE 103 -0.839 -11.912 12.529 761 HB3 PHE 103 3HB PHE 103 0.716 -12.646 12.866 762 HD1 PHE 103 HD1 PHE 103 -1.671 -12.636 9.982 763 HD2 PHE 103 HD2 PHE 103 2.329 -12.147 11.313 764 HE1 PHE 103 HE1 PHE 103 -0.942 -12.174 7.624 765 HE2 PHE 103 HE2 PHE 103 3.057 -11.685 8.956 766 HZ PHE 103 HZ PHE 103 1.413 -11.704 7.140 767 H ALA 104 HN ALA 104 1.243 -15.433 13.103 768 HA ALA 104 HA ALA 104 1.740 -16.455 10.442 769 HB1 ALA 104 1HB ALA 104 3.754 -17.451 11.633 770 HB2 ALA 104 2HB ALA 104 3.650 -15.675 11.669 771 HB3 ALA 104 3HB ALA 104 3.195 -16.622 13.105 772 H ALA 105 HN ALA 105 -0.317 -17.236 12.970 773 HA ALA 105 HA ALA 105 0.099 -20.094 12.860 774 HB1 ALA 105 1HB ALA 105 -1.580 -18.153 14.415 775 HB2 ALA 105 2HB ALA 105 -2.148 -19.835 14.283 776 HB3 ALA 105 3HB ALA 105 -0.552 -19.487 14.990 777 H MET 106 HN MET 106 -2.519 -17.719 12.006 778 HA MET 106 HA MET 106 -4.238 -19.487 10.880 779 HB2 MET 106 2HB MET 106 -4.985 -17.453 9.506 780 HB3 MET 106 3HB MET 106 -4.835 -17.142 11.224 781 HG2 MET 106 2HG MET 106 -2.317 -16.476 10.528 782 HG3 MET 106 3HG MET 106 -3.061 -16.215 8.964 783 HE1 MET 106 1HE MET 106 -6.179 -15.405 10.434 784 HE2 MET 106 2HE MET 106 -5.955 -13.740 9.845 785 HE3 MET 106 3HE MET 106 -5.452 -15.117 8.835 786 H ILE 107 HN ILE 107 -1.091 -18.518 9.733 787 HA ILE 107 HA ILE 107 -1.711 -19.440 7.032 788 HB ILE 107 HB ILE 107 0.687 -18.605 6.653 789 HG12 ILE 107 2HG1 ILE 107 0.131 -17.105 9.226 790 HG13 ILE 107 3HG1 ILE 107 1.201 -18.489 9.121 791 HG21 ILE 107 1HG2 ILE 107 -1.154 -17.453 5.693 792 HG22 ILE 107 2HG2 ILE 107 -1.647 -16.781 7.266 793 HG23 ILE 107 3HG2 ILE 107 -0.141 -16.229 6.495 794 HD11 ILE 107 1HD1 ILE 107 1.825 -15.770 8.548 795 HD12 ILE 107 2HD1 ILE 107 2.878 -17.189 8.337 796 HD13 ILE 107 3HD1 ILE 107 1.857 -16.630 6.990 797 H LYS 108 HN LYS 108 0.388 -20.077 9.892 798 HA LYS 108 HA LYS 108 1.749 -22.234 8.699 799 HB2 LYS 108 2HB LYS 108 2.730 -21.078 10.551 800 HB3 LYS 108 3HB LYS 108 1.337 -21.375 11.571 801 HG2 LYS 108 2HG LYS 108 1.909 -23.594 11.965 802 HG3 LYS 108 3HG LYS 108 2.649 -23.801 10.390 803 HD2 LYS 108 2HD LYS 108 4.478 -22.126 11.282 804 HD3 LYS 108 3HD LYS 108 3.832 -22.501 12.867 805 HE2 LYS 108 2HE LYS 108 4.226 -24.940 12.452 806 HE3 LYS 108 3HE LYS 108 4.869 -24.567 10.865 807 HZ1 LYS 108 1HZ LYS 108 6.772 -23.657 11.780 808 HZ2 LYS 108 2HZ LYS 108 6.067 -23.214 13.180 809 H GLY 109 HN GLY 109 -1.494 -21.831 9.804 810 HA2 GLY 109 1HA GLY 109 -1.972 -24.684 9.411 811 HA3 GLY 109 2HA GLY 109 -2.379 -24.024 10.982 Start of MODEL 3 1 H SER 0 HN SER 0 2.290 0.394 -0.822 2 HA SER 0 HA SER 0 4.825 1.221 -1.799 3 HB2 SER 0 2HB SER 0 4.791 1.867 0.701 4 HB3 SER 0 3HB SER 0 4.750 0.150 1.049 5 HG SER 0 HG SER 0 6.926 0.863 1.070 6 H MET 1 HN MET 1 6.040 -0.593 -2.543 7 HA MET 1 HA MET 1 4.547 -3.078 -2.376 8 HB2 MET 1 2HB MET 1 6.890 -2.386 -4.224 9 HB3 MET 1 3HB MET 1 5.728 -3.680 -4.441 10 HG2 MET 1 2HG MET 1 3.899 -1.908 -4.634 11 HG3 MET 1 3HG MET 1 5.152 -0.683 -4.600 12 HE1 MET 1 1HE MET 1 4.848 0.401 -6.521 13 HE2 MET 1 2HE MET 1 6.522 0.011 -6.983 14 HE3 MET 1 3HE MET 1 5.211 -0.144 -8.176 15 H ALA 2 HN ALA 2 5.297 -3.733 -0.259 16 HA ALA 2 HA ALA 2 8.146 -4.007 0.125 17 HB1 ALA 2 1HB ALA 2 6.400 -5.293 2.091 18 HB2 ALA 2 2HB ALA 2 7.573 -3.972 2.305 19 HB3 ALA 2 3HB ALA 2 5.915 -3.611 1.767 20 H PHE 3 HN PHE 3 5.246 -6.203 0.049 21 HA PHE 3 HA PHE 3 6.532 -8.583 0.226 22 HB2 PHE 3 2HB PHE 3 4.082 -7.469 -1.170 23 HB3 PHE 3 3HB PHE 3 4.531 -9.111 -1.585 24 HD1 PHE 3 HD1 PHE 3 2.564 -7.204 0.538 25 HD2 PHE 3 HD2 PHE 3 5.079 -10.622 0.578 26 HE1 PHE 3 HE1 PHE 3 1.389 -8.045 2.590 27 HE2 PHE 3 HE2 PHE 3 3.904 -11.463 2.630 28 HZ PHE 3 HZ PHE 3 2.073 -10.164 3.612 29 H ALA 4 HN ALA 4 6.646 -6.273 -2.416 30 HA ALA 4 HA ALA 4 7.061 -7.762 -4.625 31 HB1 ALA 4 1HB ALA 4 7.075 -5.335 -4.632 32 HB2 ALA 4 2HB ALA 4 8.563 -5.298 -3.656 33 HB3 ALA 4 3HB ALA 4 8.609 -5.911 -5.327 34 H SER 5 HN SER 5 9.087 -7.567 -1.733 35 HA SER 5 HA SER 5 11.169 -9.028 -3.129 36 HB2 SER 5 2HB SER 5 11.046 -7.376 -0.617 37 HB3 SER 5 3HB SER 5 12.235 -8.663 -0.680 38 HG SER 5 HG SER 5 11.947 -6.584 -2.680 39 H VAL 6 HN VAL 6 8.914 -9.165 -0.315 40 HA VAL 6 HA VAL 6 9.798 -11.641 0.659 41 HB VAL 6 HB VAL 6 7.046 -10.410 0.867 42 HG11 VAL 6 1HG1 VAL 6 6.579 -12.121 2.216 43 HG12 VAL 6 2HG1 VAL 6 8.199 -12.801 1.930 44 HG13 VAL 6 3HG1 VAL 6 7.935 -11.663 3.273 45 HG21 VAL 6 1HG2 VAL 6 8.123 -9.543 3.105 46 HG22 VAL 6 2HG2 VAL 6 9.644 -9.695 2.193 47 HG23 VAL 6 3HG2 VAL 6 8.345 -8.639 1.588 48 H LEU 7 HN LEU 7 6.801 -10.848 -1.250 49 HA LEU 7 HA LEU 7 6.985 -13.576 -2.328 50 HB2 LEU 7 2HB LEU 7 4.465 -11.947 -2.070 51 HB3 LEU 7 3HB LEU 7 4.622 -13.652 -2.443 52 HG LEU 7 HG LEU 7 5.532 -12.535 0.209 53 HD11 LEU 7 1HD1 LEU 7 3.069 -12.005 -0.407 54 HD12 LEU 7 2HD1 LEU 7 2.806 -13.748 -0.160 55 HD13 LEU 7 3HD1 LEU 7 3.433 -12.746 1.171 56 HD21 LEU 7 1HD2 LEU 7 6.357 -14.653 0.154 57 HD22 LEU 7 2HD2 LEU 7 4.720 -15.012 0.756 58 HD23 LEU 7 3HD2 LEU 7 5.104 -15.239 -0.967 59 H LYS 8 HN LYS 8 5.366 -13.472 -4.493 60 HA LYS 8 HA LYS 8 6.896 -11.766 -6.240 61 HB2 LYS 8 2HB LYS 8 4.748 -13.830 -6.812 62 HB3 LYS 8 3HB LYS 8 5.698 -12.997 -8.026 63 HG2 LYS 8 2HG LYS 8 7.065 -14.517 -5.777 64 HG3 LYS 8 3HG LYS 8 6.489 -15.364 -7.200 65 HD2 LYS 8 2HD LYS 8 7.831 -13.745 -8.631 66 HD3 LYS 8 3HD LYS 8 8.488 -13.054 -7.161 67 HE2 LYS 8 2HE LYS 8 9.512 -15.196 -6.534 68 HE3 LYS 8 3HE LYS 8 8.712 -16.019 -7.858 69 HZ1 LYS 8 1HZ LYS 8 10.329 -13.736 -8.640 70 HZ2 LYS 8 2HZ LYS 8 11.174 -14.997 -8.050 71 H ASP 9 HN ASP 9 6.304 -9.765 -6.875 72 HA ASP 9 HA ASP 9 4.058 -8.557 -5.871 73 HB2 ASP 9 2HB ASP 9 6.061 -7.957 -8.025 74 HB3 ASP 9 3HB ASP 9 4.582 -7.018 -8.065 75 HD2 ASP 9 HD2 ASP 9 6.672 -5.581 -7.649 76 H ALA 10 HN ALA 10 4.536 -10.685 -8.615 77 HA ALA 10 HA ALA 10 2.184 -9.772 -10.026 78 HB1 ALA 10 1HB ALA 10 3.262 -10.714 -11.755 79 HB2 ALA 10 2HB ALA 10 4.581 -11.170 -10.649 80 HB3 ALA 10 3HB ALA 10 3.237 -12.299 -10.945 81 H GLU 11 HN GLU 11 3.048 -11.965 -7.462 82 HA GLU 11 HA GLU 11 0.770 -13.647 -7.951 83 HB2 GLU 11 2HB GLU 11 2.991 -13.626 -5.882 84 HB3 GLU 11 3HB GLU 11 1.597 -14.672 -5.695 85 HG2 GLU 11 2HG GLU 11 3.280 -14.625 -8.239 86 HG3 GLU 11 3HG GLU 11 3.636 -15.693 -6.895 87 HE2 GLU 11 HE2 GLU 11 1.863 -16.064 -9.788 88 H VAL 12 HN VAL 12 1.976 -11.713 -5.106 89 HA VAL 12 HA VAL 12 -0.205 -11.738 -3.556 90 HB VAL 12 HB VAL 12 0.536 -9.646 -2.651 91 HG11 VAL 12 1HG1 VAL 12 1.974 -11.768 -2.477 92 HG12 VAL 12 2HG1 VAL 12 3.056 -10.984 -3.653 93 HG13 VAL 12 3HG1 VAL 12 2.748 -10.217 -2.076 94 HG21 VAL 12 1HG2 VAL 12 2.336 -8.320 -3.821 95 HG22 VAL 12 2HG2 VAL 12 2.013 -9.294 -5.276 96 HG23 VAL 12 3HG2 VAL 12 0.733 -8.262 -4.594 97 H THR 13 HN THR 13 0.354 -9.416 -6.293 98 HA THR 13 HA THR 13 -1.935 -7.961 -6.129 99 HB THR 13 HB THR 13 0.170 -8.106 -7.833 100 HG1 THR 13 HG1 THR 13 -1.029 -6.243 -8.032 101 HG21 THR 13 1HG2 THR 13 -0.649 -10.063 -9.118 102 HG22 THR 13 2HG2 THR 13 -2.229 -9.275 -9.339 103 HG23 THR 13 3HG2 THR 13 -0.780 -8.597 -10.119 104 H ALA 14 HN ALA 14 -1.577 -11.154 -7.802 105 HA ALA 14 HA ALA 14 -4.185 -11.324 -8.695 106 HB1 ALA 14 1HB ALA 14 -3.552 -13.421 -9.343 107 HB2 ALA 14 2HB ALA 14 -1.933 -12.833 -8.894 108 HB3 ALA 14 3HB ALA 14 -2.870 -13.823 -7.748 109 H ALA 15 HN ALA 15 -2.729 -12.063 -5.495 110 HA ALA 15 HA ALA 15 -4.947 -13.370 -4.414 111 HB1 ALA 15 1HB ALA 15 -3.278 -11.683 -2.622 112 HB2 ALA 15 2HB ALA 15 -3.661 -13.419 -2.532 113 HB3 ALA 15 3HB ALA 15 -2.389 -12.845 -3.635 114 H LEU 16 HN LEU 16 -4.006 -9.891 -4.585 115 HA LEU 16 HA LEU 16 -5.992 -8.895 -2.941 116 HB2 LEU 16 2HB LEU 16 -4.607 -7.703 -5.343 117 HB3 LEU 16 3HB LEU 16 -5.671 -6.797 -4.286 118 HG LEU 16 HG LEU 16 -3.319 -8.264 -3.124 119 HD11 LEU 16 1HD1 LEU 16 -1.764 -6.934 -3.997 120 HD12 LEU 16 2HD1 LEU 16 -2.989 -6.425 -5.183 121 HD13 LEU 16 3HD1 LEU 16 -2.736 -5.473 -3.701 122 HD21 LEU 16 1HD2 LEU 16 -3.730 -5.729 -1.952 123 HD22 LEU 16 2HD2 LEU 16 -5.340 -6.457 -2.171 124 HD23 LEU 16 3HD2 LEU 16 -4.083 -7.332 -1.264 125 H ASP 17 HN ASP 17 -6.022 -9.354 -6.545 126 HA ASP 17 HA ASP 17 -8.638 -8.512 -6.834 127 HB2 ASP 17 2HB ASP 17 -6.744 -8.995 -8.594 128 HB3 ASP 17 3HB ASP 17 -7.343 -10.642 -8.575 129 HD2 ASP 17 HD2 ASP 17 -8.397 -10.478 -10.831 130 H GLY 18 HN GLY 18 -7.275 -11.338 -5.395 131 HA2 GLY 18 1HA GLY 18 -9.211 -13.290 -6.104 132 HA3 GLY 18 2HA GLY 18 -8.082 -13.346 -4.764 133 H CYS 19 HN CYS 19 -9.302 -10.481 -4.043 134 HA CYS 19 HA CYS 19 -11.788 -11.501 -2.897 135 HB2 CYS 19 2HB CYS 19 -9.864 -9.801 -1.294 136 HB3 CYS 19 3HB CYS 19 -11.304 -10.627 -0.733 137 HG CYS 19 HG CYS 19 -8.520 -11.933 -1.966 138 H LYS 20 HN LYS 20 -11.089 -9.833 -5.291 139 HA LYS 20 HA LYS 20 -11.300 -7.128 -4.822 140 HB2 LYS 20 2HB LYS 20 -11.983 -6.959 -7.144 141 HB3 LYS 20 3HB LYS 20 -10.694 -8.133 -6.975 142 HG2 LYS 20 2HG LYS 20 -12.598 -9.918 -6.793 143 HG3 LYS 20 3HG LYS 20 -13.658 -8.663 -7.404 144 HD2 LYS 20 2HD LYS 20 -12.284 -8.420 -9.436 145 HD3 LYS 20 3HD LYS 20 -11.093 -9.543 -8.810 146 HE2 LYS 20 2HE LYS 20 -12.743 -11.383 -8.845 147 HE3 LYS 20 3HE LYS 20 -14.012 -10.278 -9.335 148 HZ1 LYS 20 1HZ LYS 20 -12.627 -9.816 -11.364 149 HZ2 LYS 20 2HZ LYS 20 -11.623 -11.022 -10.929 150 H ALA 21 HN ALA 21 -13.891 -9.617 -5.216 151 HA ALA 21 HA ALA 21 -15.979 -7.712 -4.937 152 HB1 ALA 21 1HB ALA 21 -16.595 -10.507 -4.252 153 HB2 ALA 21 2HB ALA 21 -17.256 -9.476 -5.543 154 HB3 ALA 21 3HB ALA 21 -15.720 -10.340 -5.793 155 H ALA 22 HN ALA 22 -17.396 -7.406 -3.114 156 HA ALA 22 HA ALA 22 -15.966 -7.634 -0.612 157 HB1 ALA 22 1HB ALA 22 -17.864 -5.858 -1.804 158 HB2 ALA 22 2HB ALA 22 -18.610 -6.542 -0.339 159 HB3 ALA 22 3HB ALA 22 -17.044 -5.703 -0.231 160 H GLY 23 HN GLY 23 -16.921 -8.610 1.317 161 HA2 GLY 23 1HA GLY 23 -18.029 -10.214 2.442 162 HA3 GLY 23 2HA GLY 23 -19.277 -10.169 1.213 163 H SER 24 HN SER 24 -16.212 -10.649 -0.247 164 HA SER 24 HA SER 24 -16.627 -13.535 -0.161 165 HB2 SER 24 2HB SER 24 -16.455 -13.721 -2.456 166 HB3 SER 24 3HB SER 24 -17.166 -12.122 -2.368 167 HG SER 24 HG SER 24 -14.359 -12.761 -2.680 168 H PHE 25 HN PHE 25 -14.872 -11.655 1.442 169 HA PHE 25 HA PHE 25 -12.231 -11.964 0.432 170 HB2 PHE 25 2HB PHE 25 -12.938 -10.106 1.934 171 HB3 PHE 25 3HB PHE 25 -13.503 -11.247 3.138 172 HD1 PHE 25 HD1 PHE 25 -12.111 -11.806 4.904 173 HD2 PHE 25 HD2 PHE 25 -10.384 -10.251 1.353 174 HE1 PHE 25 HE1 PHE 25 -9.868 -11.731 6.028 175 HE2 PHE 25 HE2 PHE 25 -8.141 -10.176 2.477 176 HZ PHE 25 HZ PHE 25 -7.910 -10.917 4.801 177 H ASP 26 HN ASP 26 -10.607 -13.422 1.051 178 HA ASP 26 HA ASP 26 -11.351 -15.404 3.017 179 HB2 ASP 26 2HB ASP 26 -11.830 -16.106 0.507 180 HB3 ASP 26 3HB ASP 26 -10.090 -16.284 0.402 181 HD2 ASP 26 HD2 ASP 26 -11.891 -18.586 0.229 182 H HIS 27 HN HIS 27 -9.663 -14.620 4.403 183 HA HIS 27 HA HIS 27 -7.152 -13.848 3.489 184 HB2 HIS 27 2HB HIS 27 -6.495 -13.988 5.859 185 HB3 HIS 27 3HB HIS 27 -7.996 -13.116 5.617 186 HD1 HIS 27 HD1 HIS 27 -6.744 -16.523 6.794 187 HD2 HIS 27 HD2 HIS 27 -10.167 -14.107 7.014 188 HE1 HIS 27 HE1 HIS 27 -8.321 -17.666 8.443 189 H LYS 28 HN LYS 28 -8.157 -16.913 5.176 190 HA LYS 28 HA LYS 28 -5.853 -18.273 5.127 191 HB2 LYS 28 2HB LYS 28 -7.250 -20.336 4.889 192 HB3 LYS 28 3HB LYS 28 -7.801 -19.217 6.119 193 HG2 LYS 28 2HG LYS 28 -9.246 -18.252 4.039 194 HG3 LYS 28 3HG LYS 28 -9.052 -19.898 3.469 195 HD2 LYS 28 2HD LYS 28 -9.797 -20.550 5.935 196 HD3 LYS 28 3HD LYS 28 -10.433 -18.918 5.981 197 HE2 LYS 28 2HE LYS 28 -12.028 -19.335 4.304 198 HE3 LYS 28 3HE LYS 28 -11.089 -20.625 3.578 199 HZ1 LYS 28 1HZ LYS 28 -12.569 -20.785 6.148 200 HZ2 LYS 28 2HZ LYS 28 -12.924 -21.587 4.775 201 H LYS 29 HN LYS 29 -8.235 -18.321 2.377 202 HA LYS 29 HA LYS 29 -6.637 -19.737 0.637 203 HB2 LYS 29 2HB LYS 29 -9.001 -17.957 0.434 204 HB3 LYS 29 3HB LYS 29 -8.083 -18.166 -1.043 205 HG2 LYS 29 2HG LYS 29 -9.913 -19.883 -0.726 206 HG3 LYS 29 3HG LYS 29 -8.323 -20.581 -0.961 207 HD2 LYS 29 2HD LYS 29 -8.127 -20.644 1.623 208 HD3 LYS 29 3HD LYS 29 -9.840 -20.273 1.664 209 HE2 LYS 29 2HE LYS 29 -9.703 -22.667 1.776 210 HE3 LYS 29 3HE LYS 29 -10.215 -22.306 0.139 211 HZ1 LYS 29 1HZ LYS 29 -8.142 -23.878 0.665 212 HZ2 LYS 29 2HZ LYS 29 -8.218 -22.996 -0.702 213 H PHE 30 HN PHE 30 -6.972 -16.136 0.979 214 HA PHE 30 HA PHE 30 -5.304 -15.287 -0.928 215 HB2 PHE 30 2HB PHE 30 -6.591 -14.132 1.102 216 HB3 PHE 30 3HB PHE 30 -5.084 -14.330 1.974 217 HD1 PHE 30 HD1 PHE 30 -2.958 -13.356 0.804 218 HD2 PHE 30 HD2 PHE 30 -6.930 -12.216 -0.161 219 HE1 PHE 30 HE1 PHE 30 -2.103 -11.213 -0.187 220 HE2 PHE 30 HE2 PHE 30 -6.075 -10.074 -1.151 221 HZ PHE 30 HZ PHE 30 -3.672 -9.598 -1.152 222 H PHE 31 HN PHE 31 -4.155 -15.973 2.461 223 HA PHE 31 HA PHE 31 -1.483 -15.698 1.955 224 HB2 PHE 31 2HB PHE 31 -3.124 -17.539 3.786 225 HB3 PHE 31 3HB PHE 31 -1.382 -17.425 3.936 226 HD1 PHE 31 HD1 PHE 31 -4.408 -16.187 5.139 227 HD2 PHE 31 HD2 PHE 31 -0.486 -14.915 4.135 228 HE1 PHE 31 HE1 PHE 31 -4.668 -14.194 6.643 229 HE2 PHE 31 HE2 PHE 31 -0.746 -12.923 5.639 230 HZ PHE 31 HZ PHE 31 -2.834 -12.586 6.875 231 H LYS 32 HN LYS 32 -3.664 -18.315 1.031 232 HA LYS 32 HA LYS 32 -1.461 -20.122 0.517 233 HB2 LYS 32 2HB LYS 32 -4.422 -20.303 0.661 234 HB3 LYS 32 3HB LYS 32 -3.644 -21.371 -0.489 235 HG2 LYS 32 2HG LYS 32 -2.613 -21.127 2.363 236 HG3 LYS 32 3HG LYS 32 -3.938 -22.206 1.973 237 HD2 LYS 32 2HD LYS 32 -2.333 -23.099 0.073 238 HD3 LYS 32 3HD LYS 32 -1.066 -22.322 1.001 239 HE2 LYS 32 2HE LYS 32 -2.270 -23.642 3.035 240 HE3 LYS 32 3HE LYS 32 -2.772 -24.695 1.728 241 HZ1 LYS 32 1HZ LYS 32 -0.514 -25.119 1.164 242 HZ2 LYS 32 2HZ LYS 32 0.062 -23.903 2.080 243 H ALA 33 HN ALA 33 -3.380 -17.669 -1.091 244 HA ALA 33 HA ALA 33 -2.821 -18.671 -3.728 245 HB1 ALA 33 1HB ALA 33 -4.640 -17.407 -4.102 246 HB2 ALA 33 2HB ALA 33 -4.541 -16.716 -2.465 247 HB3 ALA 33 3HB ALA 33 -3.649 -15.959 -3.806 248 H CYS 34 HN CYS 34 -1.429 -16.413 -1.356 249 HA CYS 34 HA CYS 34 0.378 -15.347 -3.341 250 HB2 CYS 34 2HB CYS 34 0.652 -14.731 -0.422 251 HB3 CYS 34 3HB CYS 34 0.918 -13.700 -1.814 252 HG CYS 34 HG CYS 34 -1.885 -14.331 -2.401 253 H GLY 35 HN GLY 35 0.146 -17.808 -0.812 254 HA2 GLY 35 1HA GLY 35 1.644 -19.656 -0.890 255 HA3 GLY 35 2HA GLY 35 2.940 -18.578 -1.366 256 H LEU 36 HN LEU 36 1.558 -16.595 0.750 257 HA LEU 36 HA LEU 36 3.397 -16.703 2.694 258 HB2 LEU 36 2HB LEU 36 0.608 -15.740 2.511 259 HB3 LEU 36 3HB LEU 36 1.243 -15.920 4.134 260 HG LEU 36 HG LEU 36 2.850 -14.428 2.081 261 HD11 LEU 36 1HD1 LEU 36 0.572 -13.510 1.923 262 HD12 LEU 36 2HD1 LEU 36 0.577 -13.214 3.678 263 HD13 LEU 36 3HD1 LEU 36 1.721 -12.347 2.626 264 HD21 LEU 36 1HD2 LEU 36 2.782 -13.294 4.725 265 HD22 LEU 36 2HD2 LEU 36 3.145 -15.034 4.817 266 HD23 LEU 36 3HD2 LEU 36 4.155 -13.967 3.813 267 H SER 37 HN SER 37 0.671 -18.917 2.224 268 HA SER 37 HA SER 37 0.739 -19.984 4.812 269 HB2 SER 37 2HB SER 37 -1.251 -20.506 3.753 270 HB3 SER 37 3HB SER 37 -0.498 -20.695 2.182 271 HG SER 37 HG SER 37 -0.831 -22.587 4.275 272 H GLY 38 HN GLY 38 1.926 -21.283 1.619 273 HA2 GLY 38 1HA GLY 38 3.387 -23.411 2.841 274 HA3 GLY 38 2HA GLY 38 3.429 -22.908 1.163 275 H LYS 39 HN LYS 39 3.927 -20.049 2.732 276 HA LYS 39 HA LYS 39 6.692 -20.040 2.136 277 HB2 LYS 39 2HB LYS 39 4.720 -18.092 3.286 278 HB3 LYS 39 3HB LYS 39 6.433 -17.750 3.423 279 HG2 LYS 39 2HG LYS 39 4.913 -18.311 0.833 280 HG3 LYS 39 3HG LYS 39 5.523 -16.753 1.354 281 HD2 LYS 39 2HD LYS 39 7.839 -18.182 1.493 282 HD3 LYS 39 3HD LYS 39 7.020 -19.109 0.251 283 HE2 LYS 39 2HE LYS 39 6.511 -16.641 -0.730 284 HE3 LYS 39 3HE LYS 39 7.955 -16.246 0.180 285 HZ1 LYS 39 1HZ LYS 39 9.196 -17.264 -1.376 286 HZ2 LYS 39 2HZ LYS 39 8.346 -18.650 -1.288 287 H SER 40 HN SER 40 8.031 -18.761 4.136 288 HA SER 40 HA SER 40 8.063 -20.851 6.141 289 HB2 SER 40 2HB SER 40 10.088 -18.786 5.218 290 HB3 SER 40 3HB SER 40 10.312 -19.649 6.727 291 HG SER 40 HG SER 40 9.921 -20.922 4.152 292 H THR 41 HN THR 41 8.077 -20.340 8.431 293 HA THR 41 HA THR 41 6.384 -18.204 9.136 294 HB THR 41 HB THR 41 8.041 -20.317 10.534 295 HG1 THR 41 HG1 THR 41 5.863 -20.703 9.717 296 HG21 THR 41 1HG2 THR 41 8.128 -18.102 11.903 297 HG22 THR 41 2HG2 THR 41 6.359 -18.252 12.025 298 HG23 THR 41 3HG2 THR 41 7.408 -19.513 12.716 299 H ASP 42 HN ASP 42 9.695 -18.224 8.293 300 HA ASP 42 HA ASP 42 10.579 -16.288 10.108 301 HB2 ASP 42 2HB ASP 42 12.307 -17.468 9.035 302 HB3 ASP 42 3HB ASP 42 11.521 -17.406 7.470 303 HD2 ASP 42 HD2 ASP 42 13.503 -14.823 6.495 304 H GLU 43 HN GLU 43 9.811 -16.132 6.538 305 HA GLU 43 HA GLU 43 9.937 -13.396 6.347 306 HB2 GLU 43 2HB GLU 43 9.054 -13.669 4.178 307 HB3 GLU 43 3HB GLU 43 9.804 -15.219 4.500 308 HG2 GLU 43 2HG GLU 43 7.603 -16.164 5.181 309 HG3 GLU 43 3HG GLU 43 6.839 -14.609 4.920 310 HE2 GLU 43 HE2 GLU 43 5.613 -15.202 3.226 311 H VAL 44 HN VAL 44 7.230 -15.572 7.261 312 HA VAL 44 HA VAL 44 5.080 -13.967 7.078 313 HB VAL 44 HB VAL 44 5.895 -15.850 9.295 314 HG11 VAL 44 1HG1 VAL 44 4.187 -14.426 10.213 315 HG12 VAL 44 2HG1 VAL 44 3.199 -14.573 8.740 316 HG13 VAL 44 3HG1 VAL 44 3.440 -15.987 9.795 317 HG21 VAL 44 1HG2 VAL 44 3.877 -16.388 7.120 318 HG22 VAL 44 2HG2 VAL 44 5.619 -16.612 6.829 319 HG23 VAL 44 3HG2 VAL 44 4.804 -17.540 8.111 320 H LYS 45 HN LYS 45 7.562 -13.923 9.714 321 HA LYS 45 HA LYS 45 6.372 -11.992 11.283 322 HB2 LYS 45 2HB LYS 45 9.332 -12.490 10.845 323 HB3 LYS 45 3HB LYS 45 8.621 -11.641 12.202 324 HG2 LYS 45 2HG LYS 45 7.735 -13.587 13.149 325 HG3 LYS 45 3HG LYS 45 7.571 -14.399 11.605 326 HD2 LYS 45 2HD LYS 45 9.949 -14.854 11.481 327 HD3 LYS 45 3HD LYS 45 10.297 -13.769 12.812 328 HE2 LYS 45 2HE LYS 45 8.787 -16.419 12.966 329 HE3 LYS 45 3HE LYS 45 10.371 -16.075 13.634 330 HZ1 LYS 45 1HZ LYS 45 7.878 -15.619 14.840 331 HZ2 LYS 45 2HZ LYS 45 9.351 -15.341 15.477 332 H LYS 46 HN LYS 46 8.537 -11.660 8.414 333 HA LYS 46 HA LYS 46 8.542 -8.813 8.600 334 HB2 LYS 46 2HB LYS 46 9.277 -10.267 6.090 335 HB3 LYS 46 3HB LYS 46 10.023 -8.868 6.836 336 HG2 LYS 46 2HG LYS 46 10.531 -10.623 8.811 337 HG3 LYS 46 3HG LYS 46 10.359 -11.789 7.514 338 HD2 LYS 46 2HD LYS 46 12.401 -9.572 7.805 339 HD3 LYS 46 3HD LYS 46 12.670 -11.271 7.472 340 HE2 LYS 46 2HE LYS 46 11.350 -10.801 5.234 341 HE3 LYS 46 3HE LYS 46 11.684 -9.115 5.574 342 HZ1 LYS 46 1HZ LYS 46 14.089 -10.423 5.949 343 HZ2 LYS 46 2HZ LYS 46 13.476 -11.096 4.599 344 H ALA 47 HN ALA 47 6.371 -11.249 7.386 345 HA ALA 47 HA ALA 47 5.152 -9.509 5.444 346 HB1 ALA 47 1HB ALA 47 3.809 -11.382 4.925 347 HB2 ALA 47 2HB ALA 47 5.376 -12.090 5.385 348 HB3 ALA 47 3HB ALA 47 4.023 -12.096 6.542 349 H PHE 48 HN PHE 48 5.131 -9.834 8.848 350 HA PHE 48 HA PHE 48 2.354 -9.129 9.163 351 HB2 PHE 48 2HB PHE 48 3.577 -10.606 10.774 352 HB3 PHE 48 3HB PHE 48 4.802 -9.375 11.010 353 HD1 PHE 48 HD1 PHE 48 4.417 -7.503 12.472 354 HD2 PHE 48 HD2 PHE 48 1.333 -10.327 11.748 355 HE1 PHE 48 HE1 PHE 48 3.115 -6.577 14.407 356 HE2 PHE 48 HE2 PHE 48 0.031 -9.401 13.684 357 HZ PHE 48 HZ PHE 48 0.938 -7.537 14.991 358 H ALA 49 HN ALA 49 5.430 -7.528 8.709 359 HA ALA 49 HA ALA 49 4.584 -5.095 10.006 360 HB1 ALA 49 1HB ALA 49 7.039 -6.288 8.973 361 HB2 ALA 49 2HB ALA 49 6.855 -4.603 8.430 362 HB3 ALA 49 3HB ALA 49 6.827 -4.985 10.168 363 H ILE 50 HN ILE 50 5.017 -6.412 6.674 364 HA ILE 50 HA ILE 50 4.689 -4.235 5.150 365 HB ILE 50 HB ILE 50 3.252 -6.853 4.711 366 HG12 ILE 50 2HG1 ILE 50 5.410 -7.569 5.162 367 HG13 ILE 50 3HG1 ILE 50 5.429 -7.372 3.421 368 HG21 ILE 50 1HG2 ILE 50 2.853 -4.749 3.216 369 HG22 ILE 50 2HG2 ILE 50 4.460 -5.144 2.560 370 HG23 ILE 50 3HG2 ILE 50 3.143 -6.338 2.466 371 HD11 ILE 50 1HD1 ILE 50 6.742 -5.686 5.541 372 HD12 ILE 50 2HD1 ILE 50 7.381 -6.233 3.972 373 HD13 ILE 50 3HD1 ILE 50 6.218 -4.886 4.039 374 H ILE 51 HN ILE 51 2.050 -6.033 6.849 375 HA ILE 51 HA ILE 51 0.038 -4.276 5.891 376 HB ILE 51 HB ILE 51 -0.036 -6.155 8.252 377 HG12 ILE 51 2HG1 ILE 51 -1.025 -6.939 5.539 378 HG13 ILE 51 3HG1 ILE 51 0.700 -7.006 5.841 379 HG21 ILE 51 1HG2 ILE 51 -2.427 -5.666 6.578 380 HG22 ILE 51 2HG2 ILE 51 -2.269 -5.863 8.340 381 HG23 ILE 51 3HG2 ILE 51 -1.884 -4.300 7.582 382 HD11 ILE 51 1HD1 ILE 51 -1.212 -8.944 6.573 383 HD12 ILE 51 2HD1 ILE 51 0.488 -8.881 7.098 384 HD13 ILE 51 3HD1 ILE 51 -0.781 -8.135 8.099 385 H ASP 52 HN ASP 52 1.359 -4.785 9.244 386 HA ASP 52 HA ASP 52 0.213 -2.739 10.469 387 HB2 ASP 52 2HB ASP 52 3.152 -3.543 10.694 388 HB3 ASP 52 3HB ASP 52 2.300 -2.585 11.889 389 HD2 ASP 52 HD2 ASP 52 3.259 -5.657 11.395 390 H GLN 53 HN GLN 53 -0.056 -0.679 9.540 391 HA GLN 53 HA GLN 53 2.150 0.456 8.090 392 HB2 GLN 53 2HB GLN 53 -0.506 1.818 8.641 393 HB3 GLN 53 3HB GLN 53 0.587 2.080 7.297 394 HG2 GLN 53 2HG GLN 53 0.108 -0.197 6.428 395 HG3 GLN 53 3HG GLN 53 -0.927 -0.525 7.804 396 HE21 GLN 53 1HE2 GLN 53 -2.610 1.279 8.197 397 HE22 GLN 53 2HE2 GLN 53 -3.523 1.786 6.815 398 H ASP 54 HN ASP 54 0.466 0.785 11.107 399 HA ASP 54 HA ASP 54 2.000 3.222 11.864 400 HB2 ASP 54 2HB ASP 54 0.394 3.317 13.685 401 HB3 ASP 54 3HB ASP 54 -0.490 2.970 12.201 402 H LYS 55 HN LYS 55 2.334 -0.225 12.041 403 HA LYS 55 HA LYS 55 3.481 -1.591 13.358 404 HB2 LYS 55 2HB LYS 55 5.407 0.609 14.012 405 HB3 LYS 55 3HB LYS 55 5.720 -1.058 13.574 406 HG2 LYS 55 2HG LYS 55 4.663 1.099 11.684 407 HG3 LYS 55 3HG LYS 55 6.310 0.502 11.722 408 HD2 LYS 55 2HD LYS 55 3.887 -1.282 11.199 409 HD3 LYS 55 3HD LYS 55 4.831 -0.539 9.924 410 HE2 LYS 55 2HE LYS 55 6.866 -1.681 11.318 411 HE3 LYS 55 3HE LYS 55 5.581 -2.776 11.788 412 HZ1 LYS 55 1HZ LYS 55 5.292 -2.427 9.059 413 HZ2 LYS 55 2HZ LYS 55 6.897 -2.596 9.277 414 H SER 56 HN SER 56 1.293 -0.942 14.704 415 HA SER 56 HA SER 56 1.855 0.391 17.128 416 HB2 SER 56 2HB SER 56 -0.451 -0.897 17.688 417 HB3 SER 56 3HB SER 56 -0.398 0.555 16.709 418 HG SER 56 HG SER 56 -1.271 -0.610 15.150 419 H GLY 57 HN GLY 57 2.757 -2.630 15.924 420 HA2 GLY 57 1HA GLY 57 4.049 -4.144 17.118 421 HA3 GLY 57 2HA GLY 57 3.324 -3.611 18.621 422 H PHE 58 HN PHE 58 0.700 -3.791 16.622 423 HA PHE 58 HA PHE 58 0.384 -6.664 16.702 424 HB2 PHE 58 2HB PHE 58 -1.403 -4.631 18.170 425 HB3 PHE 58 3HB PHE 58 -1.783 -6.335 18.014 426 HD1 PHE 58 HD1 PHE 58 -0.752 -7.965 19.425 427 HD2 PHE 58 HD2 PHE 58 0.511 -3.917 19.580 428 HE1 PHE 58 HE1 PHE 58 0.514 -8.442 21.539 429 HE2 PHE 58 HE2 PHE 58 1.778 -4.394 21.694 430 HZ PHE 58 HZ PHE 58 1.764 -6.650 22.648 431 H ILE 59 HN ILE 59 -2.184 -7.033 16.045 432 HA ILE 59 HA ILE 59 -2.716 -5.137 13.870 433 HB ILE 59 HB ILE 59 -2.516 -8.130 13.774 434 HG12 ILE 59 2HG1 ILE 59 -1.421 -5.877 12.067 435 HG13 ILE 59 3HG1 ILE 59 -0.521 -6.889 13.179 436 HG21 ILE 59 1HG2 ILE 59 -4.363 -8.274 12.547 437 HG22 ILE 59 2HG2 ILE 59 -4.556 -6.505 12.503 438 HG23 ILE 59 3HG2 ILE 59 -3.524 -7.317 11.302 439 HD11 ILE 59 1HD1 ILE 59 -0.142 -8.313 11.459 440 HD12 ILE 59 2HD1 ILE 59 -1.877 -8.710 11.483 441 HD13 ILE 59 3HD1 ILE 59 -1.274 -7.422 10.413 442 H GLU 60 HN GLU 60 -4.211 -4.107 15.357 443 HA GLU 60 HA GLU 60 -6.116 -5.342 16.806 444 HB2 GLU 60 2HB GLU 60 -6.082 -2.696 15.332 445 HB3 GLU 60 3HB GLU 60 -7.504 -3.176 16.237 446 HG2 GLU 60 2HG GLU 60 -6.151 -1.887 17.754 447 HG3 GLU 60 3HG GLU 60 -5.991 -3.558 18.259 448 HE2 GLU 60 HE2 GLU 60 -2.844 -2.002 16.273 449 H GLU 61 HN GLU 61 -8.671 -5.001 16.228 450 HA GLU 61 HA GLU 61 -9.115 -6.871 14.175 451 HB2 GLU 61 2HB GLU 61 -10.543 -6.852 16.144 452 HB3 GLU 61 3HB GLU 61 -10.998 -5.181 15.872 453 HG2 GLU 61 2HG GLU 61 -12.082 -5.841 13.705 454 HG3 GLU 61 3HG GLU 61 -11.648 -7.512 14.004 455 HE2 GLU 61 HE2 GLU 61 -13.535 -8.495 15.942 456 H GLU 62 HN GLU 62 -9.088 -3.345 14.396 457 HA GLU 62 HA GLU 62 -10.595 -3.015 12.000 458 HB2 GLU 62 2HB GLU 62 -8.891 -0.956 13.466 459 HB3 GLU 62 3HB GLU 62 -10.171 -0.628 12.315 460 HG2 GLU 62 2HG GLU 62 -11.666 -2.047 13.998 461 HG3 GLU 62 3HG GLU 62 -10.397 -1.673 15.148 462 HE2 GLU 62 HE2 GLU 62 -12.501 1.427 13.656 463 H GLU 63 HN GLU 63 -7.272 -3.617 12.890 464 HA GLU 63 HA GLU 63 -6.249 -2.487 10.461 465 HB2 GLU 63 2HB GLU 63 -4.992 -3.973 12.797 466 HB3 GLU 63 3HB GLU 63 -4.070 -3.576 11.361 467 HG2 GLU 63 2HG GLU 63 -5.163 -1.135 11.816 468 HG3 GLU 63 3HG GLU 63 -5.205 -1.744 13.458 469 H LEU 64 HN LEU 64 -7.519 -5.524 11.638 470 HA LEU 64 HA LEU 64 -6.116 -7.292 9.996 471 HB2 LEU 64 2HB LEU 64 -8.643 -7.307 11.553 472 HB3 LEU 64 3HB LEU 64 -8.482 -8.522 10.301 473 HG LEU 64 HG LEU 64 -6.437 -8.096 12.493 474 HD11 LEU 64 1HD1 LEU 64 -8.763 -10.032 12.378 475 HD12 LEU 64 2HD1 LEU 64 -7.409 -10.140 13.529 476 HD13 LEU 64 3HD1 LEU 64 -8.493 -8.729 13.561 477 HD21 LEU 64 1HD2 LEU 64 -5.991 -9.307 10.159 478 HD22 LEU 64 2HD2 LEU 64 -5.283 -9.881 11.689 479 HD23 LEU 64 3HD2 LEU 64 -6.735 -10.671 11.028 480 H LYS 65 HN LYS 65 -9.022 -5.250 9.452 481 HA LYS 65 HA LYS 65 -9.633 -6.386 6.942 482 HB2 LYS 65 2HB LYS 65 -11.295 -4.757 6.804 483 HB3 LYS 65 3HB LYS 65 -11.134 -5.036 8.526 484 HG2 LYS 65 2HG LYS 65 -9.341 -3.055 8.360 485 HG3 LYS 65 3HG LYS 65 -10.219 -2.661 6.895 486 HD2 LYS 65 2HD LYS 65 -11.239 -2.705 9.751 487 HD3 LYS 65 3HD LYS 65 -11.320 -1.400 8.586 488 HE2 LYS 65 2HE LYS 65 -13.508 -2.149 8.416 489 HE3 LYS 65 3HE LYS 65 -12.784 -3.184 7.202 490 HZ1 LYS 65 1HZ LYS 65 -13.453 -3.909 9.992 491 HZ2 LYS 65 2HZ LYS 65 -13.987 -4.615 8.625 492 H LEU 66 HN LEU 66 -7.031 -4.447 8.034 493 HA LEU 66 HA LEU 66 -6.668 -3.211 5.422 494 HB2 LEU 66 2HB LEU 66 -4.868 -2.886 7.802 495 HB3 LEU 66 3HB LEU 66 -5.090 -1.814 6.434 496 HG LEU 66 HG LEU 66 -7.089 -2.317 8.655 497 HD11 LEU 66 1HD1 LEU 66 -5.894 0.362 8.107 498 HD12 LEU 66 2HD1 LEU 66 -6.448 -0.362 9.636 499 HD13 LEU 66 3HD1 LEU 66 -4.890 -0.855 8.931 500 HD21 LEU 66 1HD2 LEU 66 -7.610 -1.512 6.019 501 HD22 LEU 66 2HD2 LEU 66 -8.697 -1.409 7.424 502 HD23 LEU 66 3HD2 LEU 66 -7.665 -0.024 6.994 503 H PHE 67 HN PHE 67 -6.545 -6.173 5.870 504 HA PHE 67 HA PHE 67 -3.824 -6.922 5.895 505 HB2 PHE 67 2HB PHE 67 -5.740 -8.420 6.476 506 HB3 PHE 67 3HB PHE 67 -6.435 -8.195 4.883 507 HD1 PHE 67 HD1 PHE 67 -3.166 -9.294 6.335 508 HD2 PHE 67 HD2 PHE 67 -6.179 -9.944 3.418 509 HE1 PHE 67 HE1 PHE 67 -1.930 -11.317 5.510 510 HE2 PHE 67 HE2 PHE 67 -4.943 -11.967 2.593 511 HZ PHE 67 HZ PHE 67 -2.833 -12.629 3.648 512 H LEU 68 HN LEU 68 -5.739 -5.329 3.544 513 HA LEU 68 HA LEU 68 -4.141 -6.434 1.354 514 HB2 LEU 68 2HB LEU 68 -6.620 -4.712 1.256 515 HB3 LEU 68 3HB LEU 68 -5.794 -5.428 -0.114 516 HG LEU 68 HG LEU 68 -7.052 -7.053 2.110 517 HD11 LEU 68 1HD1 LEU 68 -8.948 -6.103 1.246 518 HD12 LEU 68 2HD1 LEU 68 -8.240 -5.878 -0.371 519 HD13 LEU 68 3HD1 LEU 68 -8.764 -7.496 0.153 520 HD21 LEU 68 1HD2 LEU 68 -6.908 -8.902 0.498 521 HD22 LEU 68 2HD2 LEU 68 -6.086 -7.826 -0.657 522 HD23 LEU 68 3HD2 LEU 68 -5.306 -8.231 0.891 523 H GLN 69 HN GLN 69 -4.317 -3.834 3.581 524 HA GLN 69 HA GLN 69 -3.416 -1.801 1.861 525 HB2 GLN 69 2HB GLN 69 -3.410 -2.129 4.886 526 HB3 GLN 69 3HB GLN 69 -2.791 -0.688 4.105 527 HG2 GLN 69 2HG GLN 69 -5.102 -0.646 2.845 528 HG3 GLN 69 3HG GLN 69 -5.633 -1.757 4.091 529 HE21 GLN 69 1HE2 GLN 69 -7.127 -0.139 4.722 530 HE22 GLN 69 2HE2 GLN 69 -6.657 1.185 5.736 531 H ASN 70 HN ASN 70 -1.941 -4.648 2.858 532 HA ASN 70 HA ASN 70 0.643 -3.566 3.355 533 HB2 ASN 70 2HB ASN 70 1.256 -6.113 3.092 534 HB3 ASN 70 3HB ASN 70 0.275 -5.635 4.463 535 HD21 ASN 70 1HD2 ASN 70 -0.007 -8.103 4.058 536 HD22 ASN 70 2HD2 ASN 70 -1.429 -8.563 3.183 537 H PHE 71 HN PHE 71 -1.114 -5.348 0.731 538 HA PHE 71 HA PHE 71 1.175 -5.253 -1.006 539 HB2 PHE 71 2HB PHE 71 -1.766 -5.926 -1.586 540 HB3 PHE 71 3HB PHE 71 -0.377 -6.481 -2.499 541 HD1 PHE 71 HD1 PHE 71 -2.634 -7.241 0.133 542 HD2 PHE 71 HD2 PHE 71 1.300 -8.008 -1.260 543 HE1 PHE 71 HE1 PHE 71 -2.542 -9.320 1.536 544 HE2 PHE 71 HE2 PHE 71 1.392 -10.087 0.143 545 HZ PHE 71 HZ PHE 71 -0.531 -10.718 1.524 546 H LYS 72 HN LYS 72 -0.619 -2.803 0.058 547 HA LYS 72 HA LYS 72 -0.088 -1.123 -2.064 548 HB2 LYS 72 2HB LYS 72 -2.156 -2.736 -2.832 549 HB3 LYS 72 3HB LYS 72 -3.032 -1.394 -2.123 550 HG2 LYS 72 2HG LYS 72 -0.740 -0.658 -3.909 551 HG3 LYS 72 3HG LYS 72 -2.115 -1.404 -4.699 552 HD2 LYS 72 2HD LYS 72 -2.377 0.970 -2.800 553 HD3 LYS 72 3HD LYS 72 -2.191 1.151 -4.533 554 HE2 LYS 72 2HE LYS 72 -4.429 -0.458 -3.211 555 HE3 LYS 72 3HE LYS 72 -4.600 1.201 -3.751 556 HZ1 LYS 72 1HZ LYS 72 -5.204 -0.769 -5.346 557 HZ2 LYS 72 2HZ LYS 72 -4.491 0.560 -5.959 558 H ALA 73 HN ALA 73 -0.570 1.063 -1.519 559 HA ALA 73 HA ALA 73 -1.323 1.337 1.283 560 HB1 ALA 73 1HB ALA 73 0.016 3.209 1.294 561 HB2 ALA 73 2HB ALA 73 0.785 2.331 -0.050 562 HB3 ALA 73 3HB ALA 73 -0.378 3.636 -0.388 563 H GLY 74 HN GLY 74 -3.327 0.677 -0.815 564 HA2 GLY 74 1HA GLY 74 -5.246 2.699 -0.135 565 HA3 GLY 74 2HA GLY 74 -4.766 2.768 -1.819 566 H ALA 75 HN ALA 75 -4.737 -0.289 0.026 567 HA ALA 75 HA ALA 75 -6.458 -1.494 -1.895 568 HB1 ALA 75 1HB ALA 75 -5.213 -2.422 0.720 569 HB2 ALA 75 2HB ALA 75 -6.185 -3.475 -0.335 570 HB3 ALA 75 3HB ALA 75 -4.661 -2.778 -0.934 571 H ARG 76 HN ARG 76 -8.506 -2.631 -1.337 572 HA ARG 76 HA ARG 76 -10.182 -0.845 0.039 573 HB2 ARG 76 2HB ARG 76 -11.982 -2.288 -0.676 574 HB3 ARG 76 3HB ARG 76 -10.804 -2.308 -1.974 575 HG2 ARG 76 2HG ARG 76 -11.022 -4.586 -1.793 576 HG3 ARG 76 3HG ARG 76 -9.858 -4.399 -0.497 577 HD2 ARG 76 2HD ARG 76 -11.505 -4.574 1.197 578 HD3 ARG 76 3HD ARG 76 -12.806 -4.088 0.128 579 HE ARG 76 HE ARG 76 -11.487 -6.617 -0.616 580 HH11 ARG 76 HH1 ARG 76 -14.272 -8.541 0.165 581 HH21 ARG 76 1HH2 ARG 76 -15.112 -6.547 1.194 582 HH22 ARG 76 2HH2 ARG 76 -14.151 -5.106 1.164 583 H ALA 77 HN ALA 77 -11.722 -1.576 1.840 584 HA ALA 77 HA ALA 77 -10.211 -3.220 3.739 585 HB1 ALA 77 1HB ALA 77 -10.695 -1.578 5.191 586 HB2 ALA 77 2HB ALA 77 -11.534 -0.691 3.896 587 HB3 ALA 77 3HB ALA 77 -12.436 -1.834 4.921 588 H LEU 78 HN LEU 78 -11.238 -4.941 4.863 589 HA LEU 78 HA LEU 78 -13.310 -6.192 3.341 590 HB2 LEU 78 2HB LEU 78 -11.826 -6.959 5.853 591 HB3 LEU 78 3HB LEU 78 -13.064 -7.958 5.118 592 HG LEU 78 HG LEU 78 -11.173 -8.913 4.250 593 HD11 LEU 78 1HD1 LEU 78 -12.683 -8.114 2.418 594 HD12 LEU 78 2HD1 LEU 78 -11.585 -6.732 2.192 595 HD13 LEU 78 3HD1 LEU 78 -10.995 -8.390 1.926 596 HD21 LEU 78 1HD2 LEU 78 -9.917 -6.160 4.109 597 HD22 LEU 78 2HD2 LEU 78 -9.541 -7.464 5.261 598 HD23 LEU 78 3HD2 LEU 78 -9.148 -7.659 3.536 599 H SER 79 HN SER 79 -15.248 -7.191 4.600 600 HA SER 79 HA SER 79 -16.625 -4.975 5.708 601 HB2 SER 79 2HB SER 79 -17.557 -6.863 4.187 602 HB3 SER 79 3HB SER 79 -17.606 -7.852 5.633 603 HG SER 79 HG SER 79 -19.642 -6.824 5.327 604 H ASP 80 HN ASP 80 -18.022 -5.386 7.807 605 HA ASP 80 HA ASP 80 -16.256 -5.694 9.897 606 HB2 ASP 80 2HB ASP 80 -18.554 -6.004 11.208 607 HB3 ASP 80 3HB ASP 80 -18.134 -4.460 10.493 608 HD2 ASP 80 HD2 ASP 80 -20.455 -5.048 7.801 609 H ALA 81 HN ALA 81 -18.174 -7.982 8.021 610 HA ALA 81 HA ALA 81 -18.074 -10.046 10.040 611 HB1 ALA 81 1HB ALA 81 -18.930 -10.260 7.133 612 HB2 ALA 81 2HB ALA 81 -19.396 -11.309 8.494 613 HB3 ALA 81 3HB ALA 81 -19.996 -9.635 8.413 614 H GLU 82 HN GLU 82 -16.703 -9.417 6.737 615 HA GLU 82 HA GLU 82 -15.211 -11.684 6.557 616 HB2 GLU 82 2HB GLU 82 -14.802 -8.879 5.472 617 HB3 GLU 82 3HB GLU 82 -13.666 -10.159 5.097 618 HG2 GLU 82 2HG GLU 82 -15.314 -11.461 3.956 619 HG3 GLU 82 3HG GLU 82 -16.645 -10.588 4.688 620 HE2 GLU 82 HE2 GLU 82 -15.548 -7.673 2.726 621 H THR 83 HN THR 83 -14.158 -8.439 7.822 622 HA THR 83 HA THR 83 -11.592 -9.219 8.564 623 HB THR 83 HB THR 83 -13.481 -7.100 9.720 624 HG1 THR 83 HG1 THR 83 -13.095 -6.454 7.625 625 HG21 THR 83 1HG2 THR 83 -10.421 -7.182 9.630 626 HG22 THR 83 2HG2 THR 83 -11.432 -5.903 10.346 627 HG23 THR 83 3HG2 THR 83 -11.372 -7.516 11.097 628 H LYS 84 HN LYS 84 -14.727 -9.778 10.118 629 HA LYS 84 HA LYS 84 -13.654 -10.404 12.656 630 HB2 LYS 84 2HB LYS 84 -16.281 -10.584 11.282 631 HB3 LYS 84 3HB LYS 84 -16.031 -11.706 12.605 632 HG2 LYS 84 2HG LYS 84 -15.268 -8.805 12.997 633 HG3 LYS 84 3HG LYS 84 -16.963 -9.245 13.058 634 HD2 LYS 84 2HD LYS 84 -16.262 -11.092 14.746 635 HD3 LYS 84 3HD LYS 84 -14.713 -10.278 14.832 636 HE2 LYS 84 2HE LYS 84 -15.844 -9.223 16.586 637 HE3 LYS 84 3HE LYS 84 -16.180 -8.108 15.276 638 HZ1 LYS 84 1HZ LYS 84 -18.345 -8.982 15.032 639 HZ2 LYS 84 2HZ LYS 84 -18.029 -10.341 15.871 640 H ALA 85 HN ALA 85 -15.021 -12.553 10.056 641 HA ALA 85 HA ALA 85 -14.281 -14.941 11.139 642 HB1 ALA 85 1HB ALA 85 -14.316 -14.085 8.216 643 HB2 ALA 85 2HB ALA 85 -14.338 -15.769 8.794 644 HB3 ALA 85 3HB ALA 85 -15.702 -14.685 9.158 645 H PHE 86 HN PHE 86 -12.254 -12.407 9.784 646 HA PHE 86 HA PHE 86 -10.022 -14.140 9.321 647 HB2 PHE 86 2HB PHE 86 -10.750 -11.813 8.257 648 HB3 PHE 86 3HB PHE 86 -10.063 -11.099 9.703 649 HD1 PHE 86 HD1 PHE 86 -8.927 -10.161 7.333 650 HD2 PHE 86 HD2 PHE 86 -8.054 -13.803 9.327 651 HE1 PHE 86 HE1 PHE 86 -6.653 -10.197 6.271 652 HE2 PHE 86 HE2 PHE 86 -5.780 -13.840 8.265 653 HZ PHE 86 HZ PHE 86 -5.107 -12.036 6.750 654 H LEU 87 HN LEU 87 -11.115 -11.831 11.864 655 HA LEU 87 HA LEU 87 -8.742 -11.832 13.330 656 HB2 LEU 87 2HB LEU 87 -10.425 -10.155 13.626 657 HB3 LEU 87 3HB LEU 87 -11.616 -11.347 14.107 658 HG LEU 87 HG LEU 87 -10.358 -11.812 16.163 659 HD11 LEU 87 1HD1 LEU 87 -8.502 -9.552 15.383 660 HD12 LEU 87 2HD1 LEU 87 -8.408 -10.603 16.818 661 HD13 LEU 87 3HD1 LEU 87 -8.106 -11.278 15.199 662 HD21 LEU 87 1HD2 LEU 87 -11.379 -9.096 15.505 663 HD22 LEU 87 2HD2 LEU 87 -11.944 -10.282 16.706 664 HD23 LEU 87 3HD2 LEU 87 -10.503 -9.293 17.042 665 H LYS 88 HN LYS 88 -11.820 -13.628 14.064 666 HA LYS 88 HA LYS 88 -10.723 -15.229 16.022 667 HB2 LYS 88 2HB LYS 88 -13.147 -15.276 14.304 668 HB3 LYS 88 3HB LYS 88 -12.699 -16.800 15.043 669 HG2 LYS 88 2HG LYS 88 -12.659 -15.746 17.283 670 HG3 LYS 88 3HG LYS 88 -12.989 -14.176 16.580 671 HD2 LYS 88 2HD LYS 88 -15.120 -14.915 17.318 672 HD3 LYS 88 3HD LYS 88 -15.145 -15.241 15.597 673 HE2 LYS 88 2HE LYS 88 -14.745 -17.594 15.923 674 HE3 LYS 88 3HE LYS 88 -14.252 -17.363 17.589 675 HZ1 LYS 88 1HZ LYS 88 -16.737 -16.355 17.645 676 HZ2 LYS 88 2HZ LYS 88 -16.937 -17.496 16.500 677 H ALA 89 HN ALA 89 -10.536 -15.430 12.483 678 HA ALA 89 HA ALA 89 -9.818 -18.096 12.232 679 HB1 ALA 89 1HB ALA 89 -10.128 -17.237 10.156 680 HB2 ALA 89 2HB ALA 89 -9.656 -15.597 10.662 681 HB3 ALA 89 3HB ALA 89 -8.406 -16.796 10.253 682 H GLY 90 HN GLY 90 -7.952 -15.201 13.211 683 HA2 GLY 90 1HA GLY 90 -5.540 -16.881 13.458 684 HA3 GLY 90 2HA GLY 90 -5.578 -15.133 13.336 685 H ASP 91 HN ASP 91 -6.839 -13.954 15.167 686 HA ASP 91 HA ASP 91 -5.629 -14.326 17.504 687 HB2 ASP 91 2HB ASP 91 -7.449 -12.567 16.619 688 HB3 ASP 91 3HB ASP 91 -8.553 -13.556 17.555 689 HD2 ASP 91 HD2 ASP 91 -8.592 -11.302 18.683 690 H SER 92 HN SER 92 -5.643 -16.005 19.008 691 HA SER 92 HA SER 92 -7.894 -17.830 18.886 692 HB2 SER 92 2HB SER 92 -6.147 -19.103 20.516 693 HB3 SER 92 3HB SER 92 -6.078 -19.226 18.769 694 HG SER 92 HG SER 92 -3.995 -18.699 19.507 695 H ASP 93 HN ASP 93 -6.676 -15.268 20.635 696 HA ASP 93 HA ASP 93 -7.920 -16.108 23.219 697 HB2 ASP 93 2HB ASP 93 -6.523 -14.411 24.178 698 HB3 ASP 93 3HB ASP 93 -5.522 -15.235 22.985 699 H GLY 94 HN GLY 94 -8.609 -14.251 20.344 700 HA2 GLY 94 1HA GLY 94 -10.117 -12.643 19.877 701 HA3 GLY 94 2HA GLY 94 -11.114 -13.458 21.065 702 H ASP 95 HN ASP 95 -8.219 -11.247 21.021 703 HA ASP 95 HA ASP 95 -9.387 -9.939 23.336 704 HB2 ASP 95 2HB ASP 95 -7.078 -8.875 23.512 705 HB3 ASP 95 3HB ASP 95 -7.113 -10.612 23.739 706 HD2 ASP 95 HD2 ASP 95 -4.509 -9.694 22.725 707 H GLY 96 HN GLY 96 -8.608 -9.656 19.918 708 HA2 GLY 96 1HA GLY 96 -9.814 -7.933 18.713 709 HA3 GLY 96 2HA GLY 96 -9.371 -6.799 19.973 710 H LYS 97 HN LYS 97 -6.721 -8.825 19.681 711 HA LYS 97 HA LYS 97 -5.561 -7.252 17.497 712 HB2 LYS 97 2HB LYS 97 -4.087 -7.829 20.075 713 HB3 LYS 97 3HB LYS 97 -3.585 -6.795 18.752 714 HG2 LYS 97 2HG LYS 97 -5.418 -5.219 19.212 715 HG3 LYS 97 3HG LYS 97 -6.091 -6.292 20.423 716 HD2 LYS 97 2HD LYS 97 -3.235 -5.294 20.683 717 HD3 LYS 97 3HD LYS 97 -4.573 -4.283 21.193 718 HE2 LYS 97 2HE LYS 97 -4.490 -7.149 22.153 719 HE3 LYS 97 3HE LYS 97 -3.406 -5.990 22.895 720 HZ1 LYS 97 1HZ LYS 97 -5.635 -4.593 23.023 721 HZ2 LYS 97 2HZ LYS 97 -6.329 -6.065 22.994 722 H ILE 98 HN ILE 98 -3.727 -8.313 16.434 723 HA ILE 98 HA ILE 98 -3.611 -11.186 17.002 724 HB ILE 98 HB ILE 98 -4.309 -9.804 14.450 725 HG12 ILE 98 2HG1 ILE 98 -5.305 -12.157 16.040 726 HG13 ILE 98 3HG1 ILE 98 -6.174 -10.730 15.512 727 HG21 ILE 98 1HG2 ILE 98 -3.611 -11.718 13.127 728 HG22 ILE 98 2HG2 ILE 98 -2.211 -10.989 13.949 729 HG23 ILE 98 3HG2 ILE 98 -2.922 -12.497 14.572 730 HD11 ILE 98 1HD1 ILE 98 -5.648 -11.582 13.080 731 HD12 ILE 98 2HD1 ILE 98 -5.329 -13.139 13.881 732 HD13 ILE 98 3HD1 ILE 98 -6.935 -12.383 14.012 733 H GLY 99 HN GLY 99 -1.578 -11.505 17.743 734 HA2 GLY 99 1HA GLY 99 0.577 -9.761 17.032 735 HA3 GLY 99 2HA GLY 99 0.650 -11.212 18.012 736 H ILE 100 HN ILE 100 2.719 -11.598 16.800 737 HA ILE 100 HA ILE 100 2.424 -12.287 14.015 738 HB ILE 100 HB ILE 100 4.410 -11.131 15.253 739 HG12 ILE 100 2HG1 ILE 100 4.144 -11.879 12.803 740 HG13 ILE 100 3HG1 ILE 100 5.759 -11.590 13.418 741 HG21 ILE 100 1HG2 ILE 100 6.215 -12.740 15.819 742 HG22 ILE 100 2HG2 ILE 100 4.827 -12.808 16.931 743 HG23 ILE 100 3HG2 ILE 100 5.033 -14.064 15.686 744 HD11 ILE 100 1HD1 ILE 100 4.390 -14.295 13.086 745 HD12 ILE 100 2HD1 ILE 100 5.795 -13.681 12.182 746 HD13 ILE 100 3HD1 ILE 100 5.952 -14.074 13.911 747 H ASP 101 HN ASP 101 2.631 -13.862 17.208 748 HA ASP 101 HA ASP 101 3.123 -16.419 16.200 749 HB2 ASP 101 2HB ASP 101 1.529 -16.023 18.727 750 HB3 ASP 101 3HB ASP 101 2.844 -17.139 18.418 751 HD2 ASP 101 HD2 ASP 101 5.243 -15.818 18.871 752 H GLU 102 HN GLU 102 0.250 -14.372 16.640 753 HA GLU 102 HA GLU 102 -1.530 -16.603 16.291 754 HB2 GLU 102 2HB GLU 102 -1.796 -13.708 17.025 755 HB3 GLU 102 3HB GLU 102 -3.174 -14.443 16.229 756 HG2 GLU 102 2HG GLU 102 -3.583 -15.934 17.983 757 HG3 GLU 102 3HG GLU 102 -1.901 -15.994 18.473 758 H PHE 103 HN PHE 103 -0.140 -13.868 14.475 759 HA PHE 103 HA PHE 103 -1.939 -14.133 12.281 760 HB2 PHE 103 2HB PHE 103 -0.879 -11.991 12.641 761 HB3 PHE 103 3HB PHE 103 0.680 -12.724 12.964 762 HD1 PHE 103 HD1 PHE 103 -1.773 -12.627 10.139 763 HD2 PHE 103 HD2 PHE 103 2.285 -12.386 11.357 764 HE1 PHE 103 HE1 PHE 103 -1.084 -12.209 7.762 765 HE2 PHE 103 HE2 PHE 103 2.974 -11.968 8.980 766 HZ PHE 103 HZ PHE 103 1.281 -11.884 7.211 767 H ALA 104 HN ALA 104 1.205 -15.508 13.237 768 HA ALA 104 HA ALA 104 1.650 -16.576 10.584 769 HB1 ALA 104 1HB ALA 104 3.153 -16.722 13.224 770 HB2 ALA 104 2HB ALA 104 3.687 -17.550 11.741 771 HB3 ALA 104 3HB ALA 104 3.579 -15.774 11.779 772 H ALA 105 HN ALA 105 -0.361 -17.309 13.165 773 HA ALA 105 HA ALA 105 0.044 -20.170 13.093 774 HB1 ALA 105 1HB ALA 105 -1.887 -20.124 14.703 775 HB2 ALA 105 2HB ALA 105 -0.504 -19.126 15.214 776 HB3 ALA 105 3HB ALA 105 -1.946 -18.355 14.511 777 H MET 106 HN MET 106 -2.580 -17.799 12.249 778 HA MET 106 HA MET 106 -4.326 -19.581 11.184 779 HB2 MET 106 2HB MET 106 -5.108 -17.570 9.807 780 HB3 MET 106 3HB MET 106 -4.898 -17.221 11.512 781 HG2 MET 106 2HG MET 106 -2.430 -16.537 10.783 782 HG3 MET 106 3HG MET 106 -3.136 -16.406 9.184 783 HE1 MET 106 1HE MET 106 -5.857 -15.661 9.405 784 HE2 MET 106 2HE MET 106 -6.228 -15.622 11.145 785 HE3 MET 106 3HE MET 106 -6.282 -14.121 10.189 786 H ILE 107 HN ILE 107 -1.205 -18.616 9.955 787 HA ILE 107 HA ILE 107 -1.876 -19.574 7.280 788 HB ILE 107 HB ILE 107 0.513 -18.759 6.842 789 HG12 ILE 107 2HG1 ILE 107 0.045 -17.239 9.420 790 HG13 ILE 107 3HG1 ILE 107 1.086 -18.644 9.301 791 HG21 ILE 107 1HG2 ILE 107 -1.783 -16.908 7.512 792 HG22 ILE 107 2HG2 ILE 107 -0.291 -16.373 6.701 793 HG23 ILE 107 3HG2 ILE 107 -1.339 -17.587 5.928 794 HD11 ILE 107 1HD1 ILE 107 2.768 -17.359 8.507 795 HD12 ILE 107 2HD1 ILE 107 1.753 -16.849 7.137 796 HD13 ILE 107 3HD1 ILE 107 1.722 -15.927 8.659 797 H LYS 108 HN LYS 108 0.266 -20.201 10.110 798 HA LYS 108 HA LYS 108 1.581 -22.386 8.910 799 HB2 LYS 108 2HB LYS 108 2.629 -21.219 10.714 800 HB3 LYS 108 3HB LYS 108 1.258 -21.471 11.776 801 HG2 LYS 108 2HG LYS 108 1.789 -23.705 12.179 802 HG3 LYS 108 3HG LYS 108 2.524 -23.932 10.604 803 HD2 LYS 108 2HD LYS 108 4.408 -22.346 11.420 804 HD3 LYS 108 3HD LYS 108 3.726 -22.524 13.024 805 HE2 LYS 108 2HE LYS 108 4.300 -25.025 11.425 806 HE3 LYS 108 3HE LYS 108 5.650 -24.171 12.146 807 HZ1 LYS 108 1HZ LYS 108 4.219 -25.959 13.487 808 HZ2 LYS 108 2HZ LYS 108 4.955 -24.717 14.241 809 H GLY 109 HN GLY 109 -1.629 -21.932 10.079 810 HA2 GLY 109 1HA GLY 109 -2.336 -24.623 9.489 811 HA3 GLY 109 2HA GLY 109 -2.281 -24.361 11.221 Start of MODEL 4 1 H SER 0 HN SER 0 1.381 -0.255 1.797 2 HA SER 0 HA SER 0 1.769 0.834 -0.883 3 HB2 SER 0 2HB SER 0 2.926 2.039 1.066 4 HB3 SER 0 3HB SER 0 3.899 0.597 1.282 5 HG SER 0 HG SER 0 5.183 1.485 -0.184 6 H MET 1 HN MET 1 2.937 -0.454 -2.386 7 HA MET 1 HA MET 1 2.788 -3.189 -1.987 8 HB2 MET 1 2HB MET 1 2.932 -1.714 -4.173 9 HB3 MET 1 3HB MET 1 4.669 -1.813 -3.964 10 HG2 MET 1 2HG MET 1 3.916 -3.603 -5.481 11 HG3 MET 1 3HG MET 1 4.541 -4.310 -4.004 12 HE1 MET 1 1HE MET 1 3.510 -6.276 -3.266 13 HE2 MET 1 2HE MET 1 2.910 -5.199 -1.981 14 HE3 MET 1 3HE MET 1 1.820 -6.397 -2.721 15 H ALA 2 HN ALA 2 3.912 -3.487 0.106 16 HA ALA 2 HA ALA 2 6.785 -3.091 0.051 17 HB1 ALA 2 1HB ALA 2 6.437 -2.780 2.246 18 HB2 ALA 2 2HB ALA 2 4.710 -3.155 2.026 19 HB3 ALA 2 3HB ALA 2 5.864 -4.459 2.396 20 H PHE 3 HN PHE 3 4.367 -5.772 0.409 21 HA PHE 3 HA PHE 3 6.072 -7.868 0.658 22 HB2 PHE 3 2HB PHE 3 3.376 -7.304 -0.593 23 HB3 PHE 3 3HB PHE 3 4.088 -8.854 -0.996 24 HD1 PHE 3 HD1 PHE 3 2.148 -7.080 1.366 25 HD2 PHE 3 HD2 PHE 3 4.878 -10.310 1.015 26 HE1 PHE 3 HE1 PHE 3 1.302 -8.031 3.529 27 HE2 PHE 3 HE2 PHE 3 4.031 -11.261 3.178 28 HZ PHE 3 HZ PHE 3 2.253 -10.110 4.409 29 H ALA 4 HN ALA 4 5.571 -5.808 -2.153 30 HA ALA 4 HA ALA 4 6.130 -7.361 -4.274 31 HB1 ALA 4 1HB ALA 4 6.503 -4.561 -3.497 32 HB2 ALA 4 2HB ALA 4 7.719 -5.097 -4.681 33 HB3 ALA 4 3HB ALA 4 5.986 -5.250 -5.055 34 H SER 5 HN SER 5 8.276 -6.556 -1.572 35 HA SER 5 HA SER 5 10.607 -7.403 -2.957 36 HB2 SER 5 2HB SER 5 9.925 -6.432 -0.205 37 HB3 SER 5 3HB SER 5 11.367 -7.418 -0.345 38 HG SER 5 HG SER 5 10.823 -5.062 -1.943 39 H VAL 6 HN VAL 6 8.576 -8.690 -0.226 40 HA VAL 6 HA VAL 6 9.974 -11.110 -0.011 41 HB VAL 6 HB VAL 6 7.075 -10.674 0.681 42 HG11 VAL 6 1HG1 VAL 6 7.785 -12.908 1.103 43 HG12 VAL 6 2HG1 VAL 6 9.315 -12.361 1.829 44 HG13 VAL 6 3HG1 VAL 6 7.776 -12.076 2.677 45 HG21 VAL 6 1HG2 VAL 6 9.341 -9.110 1.575 46 HG22 VAL 6 2HG2 VAL 6 7.612 -8.926 1.959 47 HG23 VAL 6 3HG2 VAL 6 8.630 -10.013 2.934 48 H LEU 7 HN LEU 7 6.690 -10.459 -1.440 49 HA LEU 7 HA LEU 7 7.127 -12.831 -3.108 50 HB2 LEU 7 2HB LEU 7 4.512 -11.466 -2.480 51 HB3 LEU 7 3HB LEU 7 4.749 -13.012 -3.270 52 HG LEU 7 HG LEU 7 5.802 -12.656 -0.488 53 HD11 LEU 7 1HD1 LEU 7 2.921 -12.659 -1.268 54 HD12 LEU 7 2HD1 LEU 7 3.411 -13.610 0.155 55 HD13 LEU 7 3HD1 LEU 7 3.745 -11.862 0.094 56 HD21 LEU 7 1HD2 LEU 7 4.481 -15.118 -0.844 57 HD22 LEU 7 2HD2 LEU 7 5.382 -14.814 -2.348 58 HD23 LEU 7 3HD2 LEU 7 6.233 -14.811 -0.785 59 H LYS 8 HN LYS 8 5.736 -12.565 -5.290 60 HA LYS 8 HA LYS 8 6.893 -10.216 -6.537 61 HB2 LYS 8 2HB LYS 8 5.364 -12.315 -8.034 62 HB3 LYS 8 3HB LYS 8 6.746 -11.364 -8.539 63 HG2 LYS 8 2HG LYS 8 7.938 -12.677 -6.507 64 HG3 LYS 8 3HG LYS 8 6.668 -13.842 -6.823 65 HD2 LYS 8 2HD LYS 8 8.298 -14.615 -8.297 66 HD3 LYS 8 3HD LYS 8 7.416 -13.539 -9.362 67 HE2 LYS 8 2HE LYS 8 9.772 -12.513 -7.737 68 HE3 LYS 8 3HE LYS 8 10.033 -13.342 -9.259 69 HZ1 LYS 8 1HZ LYS 8 8.297 -11.650 -10.145 70 HZ2 LYS 8 2HZ LYS 8 8.646 -10.780 -8.813 71 H ASP 9 HN ASP 9 5.760 -8.447 -7.212 72 HA ASP 9 HA ASP 9 3.340 -7.885 -6.156 73 HB2 ASP 9 2HB ASP 9 3.335 -5.956 -7.547 74 HB3 ASP 9 3HB ASP 9 5.033 -6.347 -7.356 75 HD2 ASP 9 HD2 ASP 9 5.290 -7.922 -10.346 76 H ALA 10 HN ALA 10 4.208 -9.540 -9.216 77 HA ALA 10 HA ALA 10 1.573 -9.466 -10.301 78 HB1 ALA 10 1HB ALA 10 2.517 -10.669 -12.093 79 HB2 ALA 10 2HB ALA 10 3.876 -9.690 -11.489 80 HB3 ALA 10 3HB ALA 10 3.761 -11.414 -11.060 81 H GLU 11 HN GLU 11 3.353 -11.472 -8.011 82 HA GLU 11 HA GLU 11 1.651 -13.715 -8.334 83 HB2 GLU 11 2HB GLU 11 3.839 -12.919 -6.409 84 HB3 GLU 11 3HB GLU 11 2.808 -14.277 -6.006 85 HG2 GLU 11 2HG GLU 11 4.199 -14.055 -8.709 86 HG3 GLU 11 3HG GLU 11 4.975 -14.799 -7.325 87 HE2 GLU 11 HE2 GLU 11 1.431 -16.162 -8.380 88 H VAL 12 HN VAL 12 2.168 -11.371 -5.591 89 HA VAL 12 HA VAL 12 0.022 -12.161 -4.074 90 HB VAL 12 HB VAL 12 0.209 -9.997 -3.010 91 HG11 VAL 12 1HG1 VAL 12 2.061 -11.847 -2.904 92 HG12 VAL 12 2HG1 VAL 12 3.041 -10.651 -3.785 93 HG13 VAL 12 3HG1 VAL 12 2.364 -10.246 -2.189 94 HG21 VAL 12 1HG2 VAL 12 0.446 -8.231 -4.385 95 HG22 VAL 12 2HG2 VAL 12 2.190 -8.567 -4.264 96 HG23 VAL 12 3HG2 VAL 12 1.257 -9.194 -5.644 97 H THR 13 HN THR 13 0.144 -10.196 -7.031 98 HA THR 13 HA THR 13 -2.223 -8.846 -6.929 99 HB THR 13 HB THR 13 -0.546 -10.140 -9.088 100 HG1 THR 13 HG1 THR 13 -0.474 -7.792 -9.559 101 HG21 THR 13 1HG2 THR 13 -2.958 -10.335 -9.875 102 HG22 THR 13 2HG2 THR 13 -3.136 -8.586 -9.595 103 HG23 THR 13 3HG2 THR 13 -1.996 -9.178 -10.827 104 H ALA 14 HN ALA 14 -1.771 -12.278 -8.002 105 HA ALA 14 HA ALA 14 -4.437 -12.758 -8.564 106 HB1 ALA 14 1HB ALA 14 -3.458 -14.679 -9.188 107 HB2 ALA 14 2HB ALA 14 -1.967 -14.205 -8.339 108 HB3 ALA 14 3HB ALA 14 -3.231 -15.116 -7.478 109 H ALA 15 HN ALA 15 -2.696 -12.494 -5.485 110 HA ALA 15 HA ALA 15 -4.779 -13.757 -3.975 111 HB1 ALA 15 1HB ALA 15 -2.552 -11.962 -2.956 112 HB2 ALA 15 2HB ALA 15 -3.392 -13.276 -2.097 113 HB3 ALA 15 3HB ALA 15 -2.275 -13.656 -3.429 114 H LEU 16 HN LEU 16 -3.995 -10.529 -5.189 115 HA LEU 16 HA LEU 16 -5.760 -9.211 -3.350 116 HB2 LEU 16 2HB LEU 16 -3.957 -8.442 -5.584 117 HB3 LEU 16 3HB LEU 16 -5.295 -7.367 -5.230 118 HG LEU 16 HG LEU 16 -3.357 -8.281 -3.097 119 HD11 LEU 16 1HD1 LEU 16 -1.747 -7.057 -4.006 120 HD12 LEU 16 2HD1 LEU 16 -2.826 -6.524 -5.317 121 HD13 LEU 16 3HD1 LEU 16 -2.768 -5.616 -3.788 122 HD21 LEU 16 1HD2 LEU 16 -4.620 -7.108 -1.704 123 HD22 LEU 16 2HD2 LEU 16 -4.465 -5.658 -2.724 124 HD23 LEU 16 3HD2 LEU 16 -5.776 -6.823 -3.027 125 H ASP 17 HN ASP 17 -5.914 -10.739 -6.539 126 HA ASP 17 HA ASP 17 -8.374 -9.472 -7.191 127 HB2 ASP 17 2HB ASP 17 -6.517 -10.498 -8.760 128 HB3 ASP 17 3HB ASP 17 -7.316 -12.026 -8.448 129 HD2 ASP 17 HD2 ASP 17 -9.885 -11.900 -9.571 130 H GLY 18 HN GLY 18 -7.232 -12.293 -5.423 131 HA2 GLY 18 1HA GLY 18 -9.569 -13.914 -5.699 132 HA3 GLY 18 2HA GLY 18 -8.255 -14.114 -4.558 133 H CYS 19 HN CYS 19 -8.997 -10.944 -4.108 134 HA CYS 19 HA CYS 19 -11.201 -11.533 -2.276 135 HB2 CYS 19 2HB CYS 19 -10.108 -9.883 -0.676 136 HB3 CYS 19 3HB CYS 19 -9.356 -11.460 -0.808 137 HG CYS 19 HG CYS 19 -8.542 -8.631 -2.326 138 H LYS 20 HN LYS 20 -10.932 -10.380 -5.084 139 HA LYS 20 HA LYS 20 -11.273 -7.565 -4.811 140 HB2 LYS 20 2HB LYS 20 -10.457 -9.103 -6.832 141 HB3 LYS 20 3HB LYS 20 -12.158 -9.051 -7.249 142 HG2 LYS 20 2HG LYS 20 -11.838 -6.422 -6.760 143 HG3 LYS 20 3HG LYS 20 -10.163 -6.792 -7.118 144 HD2 LYS 20 2HD LYS 20 -10.955 -6.293 -9.259 145 HD3 LYS 20 3HD LYS 20 -11.166 -8.033 -9.239 146 HE2 LYS 20 2HE LYS 20 -13.455 -6.406 -8.175 147 HE3 LYS 20 3HE LYS 20 -13.164 -6.301 -9.900 148 HZ1 LYS 20 1HZ LYS 20 -14.635 -8.143 -9.465 149 HZ2 LYS 20 2HZ LYS 20 -13.216 -8.780 -9.946 150 H ALA 21 HN ALA 21 -13.400 -10.444 -5.056 151 HA ALA 21 HA ALA 21 -15.763 -8.814 -5.192 152 HB1 ALA 21 1HB ALA 21 -15.081 -11.742 -5.163 153 HB2 ALA 21 2HB ALA 21 -16.739 -11.245 -4.746 154 HB3 ALA 21 3HB ALA 21 -16.052 -10.812 -6.330 155 H ALA 22 HN ALA 22 -17.116 -8.233 -3.512 156 HA ALA 22 HA ALA 22 -16.022 -8.277 -0.910 157 HB1 ALA 22 1HB ALA 22 -17.520 -6.511 -1.909 158 HB2 ALA 22 2HB ALA 22 -18.873 -7.661 -1.779 159 HB3 ALA 22 3HB ALA 22 -18.044 -7.092 -0.310 160 H GLY 23 HN GLY 23 -16.130 -9.826 0.640 161 HA2 GLY 23 1HA GLY 23 -17.146 -11.448 1.916 162 HA3 GLY 23 2HA GLY 23 -18.424 -11.615 0.729 163 H SER 24 HN SER 24 -15.682 -11.550 -1.140 164 HA SER 24 HA SER 24 -15.610 -14.449 -1.156 165 HB2 SER 24 2HB SER 24 -16.003 -13.851 -3.351 166 HB3 SER 24 3HB SER 24 -15.211 -12.297 -3.189 167 HG SER 24 HG SER 24 -13.816 -14.836 -3.280 168 H PHE 25 HN PHE 25 -14.108 -12.238 0.594 169 HA PHE 25 HA PHE 25 -11.368 -12.767 -0.091 170 HB2 PHE 25 2HB PHE 25 -11.806 -10.595 0.828 171 HB3 PHE 25 3HB PHE 25 -12.997 -11.214 1.955 172 HD1 PHE 25 HD1 PHE 25 -9.362 -11.004 1.295 173 HD2 PHE 25 HD2 PHE 25 -12.388 -11.817 4.158 174 HE1 PHE 25 HE1 PHE 25 -7.638 -11.001 3.119 175 HE2 PHE 25 HE2 PHE 25 -10.663 -11.814 5.981 176 HZ PHE 25 HZ PHE 25 -8.309 -11.406 5.440 177 H ASP 26 HN ASP 26 -10.521 -14.754 0.361 178 HA ASP 26 HA ASP 26 -11.370 -15.956 2.875 179 HB2 ASP 26 2HB ASP 26 -10.503 -17.057 0.205 180 HB3 ASP 26 3HB ASP 26 -10.121 -18.003 1.630 181 HD2 ASP 26 HD2 ASP 26 -12.573 -19.523 2.011 182 H HIS 27 HN HIS 27 -9.797 -15.040 4.304 183 HA HIS 27 HA HIS 27 -7.271 -14.328 3.818 184 HB2 HIS 27 2HB HIS 27 -6.810 -14.980 6.230 185 HB3 HIS 27 3HB HIS 27 -8.146 -13.884 5.941 186 HD1 HIS 27 HD1 HIS 27 -7.322 -17.218 7.352 187 HD2 HIS 27 HD2 HIS 27 -10.767 -15.090 6.254 188 HE1 HIS 27 HE1 HIS 27 -9.290 -18.441 8.422 189 H LYS 28 HN LYS 28 -8.155 -17.639 5.049 190 HA LYS 28 HA LYS 28 -5.738 -18.814 4.902 191 HB2 LYS 28 2HB LYS 28 -6.926 -20.930 4.612 192 HB3 LYS 28 3HB LYS 28 -7.735 -19.900 5.775 193 HG2 LYS 28 2HG LYS 28 -9.226 -19.095 3.817 194 HG3 LYS 28 3HG LYS 28 -8.543 -20.410 2.881 195 HD2 LYS 28 2HD LYS 28 -10.549 -21.311 3.809 196 HD3 LYS 28 3HD LYS 28 -9.265 -21.984 4.794 197 HE2 LYS 28 2HE LYS 28 -11.169 -21.123 6.176 198 HE3 LYS 28 3HE LYS 28 -9.658 -20.319 6.557 199 HZ1 LYS 28 1HZ LYS 28 -11.807 -19.231 4.819 200 HZ2 LYS 28 2HZ LYS 28 -11.382 -18.672 6.288 201 H LYS 29 HN LYS 29 -8.118 -18.635 2.160 202 HA LYS 29 HA LYS 29 -6.591 -19.854 0.258 203 HB2 LYS 29 2HB LYS 29 -8.522 -17.535 -0.040 204 HB3 LYS 29 3HB LYS 29 -7.910 -18.495 -1.371 205 HG2 LYS 29 2HG LYS 29 -9.239 -19.836 1.010 206 HG3 LYS 29 3HG LYS 29 -10.210 -19.154 -0.280 207 HD2 LYS 29 2HD LYS 29 -7.921 -21.008 -0.984 208 HD3 LYS 29 3HD LYS 29 -9.420 -21.694 -0.388 209 HE2 LYS 29 2HE LYS 29 -9.263 -19.756 -2.746 210 HE3 LYS 29 3HE LYS 29 -9.288 -21.500 -2.920 211 HZ1 LYS 29 1HZ LYS 29 -11.500 -21.515 -2.564 212 HZ2 LYS 29 2HZ LYS 29 -11.411 -20.581 -1.233 213 H PHE 30 HN PHE 30 -6.739 -16.272 0.883 214 HA PHE 30 HA PHE 30 -4.919 -15.382 -0.840 215 HB2 PHE 30 2HB PHE 30 -6.234 -14.368 1.286 216 HB3 PHE 30 3HB PHE 30 -4.715 -14.643 2.116 217 HD1 PHE 30 HD1 PHE 30 -2.590 -13.664 0.869 218 HD2 PHE 30 HD2 PHE 30 -6.571 -12.325 0.265 219 HE1 PHE 30 HE1 PHE 30 -1.722 -11.473 0.007 220 HE2 PHE 30 HE2 PHE 30 -5.703 -10.133 -0.596 221 HZ PHE 30 HZ PHE 30 -3.289 -9.733 -0.715 222 H PHE 31 HN PHE 31 -3.981 -16.410 2.527 223 HA PHE 31 HA PHE 31 -1.254 -16.305 2.051 224 HB2 PHE 31 2HB PHE 31 -2.946 -18.104 3.890 225 HB3 PHE 31 3HB PHE 31 -1.236 -17.797 4.121 226 HD1 PHE 31 HD1 PHE 31 -0.770 -15.059 3.991 227 HD2 PHE 31 HD2 PHE 31 -4.286 -16.987 5.380 228 HE1 PHE 31 HE1 PHE 31 -1.320 -13.049 5.391 229 HE2 PHE 31 HE2 PHE 31 -4.836 -14.978 6.780 230 HZ PHE 31 HZ PHE 31 -3.346 -13.033 6.769 231 H LYS 32 HN LYS 32 -3.673 -18.739 1.200 232 HA LYS 32 HA LYS 32 -1.714 -20.806 0.812 233 HB2 LYS 32 2HB LYS 32 -4.688 -20.553 0.464 234 HB3 LYS 32 3HB LYS 32 -3.838 -21.878 -0.306 235 HG2 LYS 32 2HG LYS 32 -3.139 -22.811 1.750 236 HG3 LYS 32 3HG LYS 32 -3.286 -21.292 2.611 237 HD2 LYS 32 2HD LYS 32 -5.205 -22.354 3.383 238 HD3 LYS 32 3HD LYS 32 -5.873 -21.540 1.982 239 HE2 LYS 32 2HE LYS 32 -4.735 -24.355 1.765 240 HE3 LYS 32 3HE LYS 32 -6.385 -24.086 2.289 241 HZ1 LYS 32 1HZ LYS 32 -5.812 -24.337 -0.251 242 HZ2 LYS 32 2HZ LYS 32 -6.986 -23.308 0.215 243 H ALA 33 HN ALA 33 -2.908 -18.053 -0.923 244 HA ALA 33 HA ALA 33 -2.358 -19.180 -3.521 245 HB1 ALA 33 1HB ALA 33 -3.900 -17.609 -3.993 246 HB2 ALA 33 2HB ALA 33 -3.722 -16.867 -2.385 247 HB3 ALA 33 3HB ALA 33 -2.637 -16.387 -3.711 248 H CYS 34 HN CYS 34 -1.076 -16.364 -1.600 249 HA CYS 34 HA CYS 34 1.176 -16.078 -3.229 250 HB2 CYS 34 2HB CYS 34 2.044 -14.690 -1.288 251 HB3 CYS 34 3HB CYS 34 0.511 -14.188 -1.974 252 HG CYS 34 HG CYS 34 -0.724 -14.245 0.037 253 H GLY 35 HN GLY 35 0.267 -18.372 -0.782 254 HA2 GLY 35 1HA GLY 35 1.433 -20.319 -0.338 255 HA3 GLY 35 2HA GLY 35 2.918 -19.587 -0.910 256 H LEU 36 HN LEU 36 1.591 -17.175 0.935 257 HA LEU 36 HA LEU 36 3.427 -17.123 2.884 258 HB2 LEU 36 2HB LEU 36 0.659 -16.115 2.603 259 HB3 LEU 36 3HB LEU 36 1.315 -16.116 4.228 260 HG LEU 36 HG LEU 36 2.628 -14.791 1.840 261 HD11 LEU 36 1HD1 LEU 36 0.742 -13.488 2.175 262 HD12 LEU 36 2HD1 LEU 36 0.741 -13.750 3.936 263 HD13 LEU 36 3HD1 LEU 36 1.957 -12.682 3.196 264 HD21 LEU 36 1HD2 LEU 36 4.371 -15.252 3.303 265 HD22 LEU 36 2HD2 LEU 36 3.882 -13.605 3.770 266 HD23 LEU 36 3HD2 LEU 36 3.365 -14.999 4.749 267 H SER 37 HN SER 37 0.605 -19.268 2.675 268 HA SER 37 HA SER 37 0.661 -20.054 5.357 269 HB2 SER 37 2HB SER 37 -1.350 -20.519 4.219 270 HB3 SER 37 3HB SER 37 -0.529 -21.166 2.812 271 HG SER 37 HG SER 37 -0.862 -22.410 5.399 272 H GLY 38 HN GLY 38 1.955 -21.551 2.306 273 HA2 GLY 38 1HA GLY 38 3.326 -23.624 3.783 274 HA3 GLY 38 2HA GLY 38 3.325 -23.358 2.051 275 H LYS 39 HN LYS 39 3.904 -20.336 3.367 276 HA LYS 39 HA LYS 39 6.620 -20.383 2.586 277 HB2 LYS 39 2HB LYS 39 4.736 -18.361 3.752 278 HB3 LYS 39 3HB LYS 39 6.455 -18.023 3.765 279 HG2 LYS 39 2HG LYS 39 4.778 -18.713 1.307 280 HG3 LYS 39 3HG LYS 39 5.423 -17.133 1.705 281 HD2 LYS 39 2HD LYS 39 7.743 -18.541 1.774 282 HD3 LYS 39 3HD LYS 39 6.853 -19.566 0.666 283 HE2 LYS 39 2HE LYS 39 6.254 -17.243 -0.518 284 HE3 LYS 39 3HE LYS 39 7.683 -16.677 0.325 285 HZ1 LYS 39 1HZ LYS 39 8.714 -18.847 -0.700 286 HZ2 LYS 39 2HZ LYS 39 7.507 -18.711 -1.785 287 H SER 40 HN SER 40 8.032 -18.928 4.469 288 HA SER 40 HA SER 40 8.192 -20.912 6.587 289 HB2 SER 40 2HB SER 40 10.246 -18.907 5.554 290 HB3 SER 40 3HB SER 40 10.523 -19.981 6.910 291 HG SER 40 HG SER 40 11.376 -21.000 5.082 292 H THR 41 HN THR 41 8.081 -20.297 8.782 293 HA THR 41 HA THR 41 6.610 -18.060 9.452 294 HB THR 41 HB THR 41 8.414 -20.014 10.915 295 HG1 THR 41 HG1 THR 41 5.609 -19.145 10.893 296 HG21 THR 41 1HG2 THR 41 8.696 -18.139 12.383 297 HG22 THR 41 2HG2 THR 41 7.071 -17.511 12.021 298 HG23 THR 41 3HG2 THR 41 7.258 -18.970 13.022 299 H ASP 42 HN ASP 42 9.977 -18.283 8.595 300 HA ASP 42 HA ASP 42 10.960 -16.186 10.078 301 HB2 ASP 42 2HB ASP 42 11.657 -17.348 7.360 302 HB3 ASP 42 3HB ASP 42 12.532 -15.956 7.968 303 HD2 ASP 42 HD2 ASP 42 14.257 -19.060 8.847 304 H GLU 43 HN GLU 43 9.957 -16.225 6.563 305 HA GLU 43 HA GLU 43 10.023 -13.484 6.269 306 HB2 GLU 43 2HB GLU 43 9.111 -13.860 4.130 307 HB3 GLU 43 3HB GLU 43 9.907 -15.379 4.489 308 HG2 GLU 43 2HG GLU 43 7.741 -16.350 5.254 309 HG3 GLU 43 3HG GLU 43 6.936 -14.825 4.942 310 HE2 GLU 43 HE2 GLU 43 6.506 -14.425 2.555 311 H VAL 44 HN VAL 44 7.429 -15.712 7.352 312 HA VAL 44 HA VAL 44 5.216 -14.186 7.155 313 HB VAL 44 HB VAL 44 6.147 -15.964 9.412 314 HG11 VAL 44 1HG1 VAL 44 3.769 -16.147 10.059 315 HG12 VAL 44 2HG1 VAL 44 4.393 -14.492 10.259 316 HG13 VAL 44 3HG1 VAL 44 3.358 -14.891 8.867 317 HG21 VAL 44 1HG2 VAL 44 4.953 -17.710 8.331 318 HG22 VAL 44 2HG2 VAL 44 4.161 -16.577 7.209 319 HG23 VAL 44 3HG2 VAL 44 5.905 -16.904 7.061 320 H LYS 45 HN LYS 45 7.679 -14.027 9.816 321 HA LYS 45 HA LYS 45 6.423 -11.963 11.205 322 HB2 LYS 45 2HB LYS 45 9.366 -12.689 11.092 323 HB3 LYS 45 3HB LYS 45 8.601 -11.694 12.314 324 HG2 LYS 45 2HG LYS 45 7.417 -13.505 13.254 325 HG3 LYS 45 3HG LYS 45 7.464 -14.442 11.774 326 HD2 LYS 45 2HD LYS 45 9.756 -15.056 12.090 327 HD3 LYS 45 3HD LYS 45 10.031 -13.783 13.262 328 HE2 LYS 45 2HE LYS 45 8.005 -15.980 13.821 329 HE3 LYS 45 3HE LYS 45 9.711 -16.246 14.121 330 HZ1 LYS 45 1HZ LYS 45 8.405 -13.837 15.213 331 HZ2 LYS 45 2HZ LYS 45 8.267 -15.254 16.002 332 H LYS 46 HN LYS 46 8.674 -11.986 8.418 333 HA LYS 46 HA LYS 46 9.065 -9.166 8.486 334 HB2 LYS 46 2HB LYS 46 9.552 -11.028 6.152 335 HB3 LYS 46 3HB LYS 46 10.319 -9.488 6.482 336 HG2 LYS 46 2HG LYS 46 10.965 -10.746 8.794 337 HG3 LYS 46 3HG LYS 46 10.791 -12.162 7.776 338 HD2 LYS 46 2HD LYS 46 13.010 -11.704 7.318 339 HD3 LYS 46 3HD LYS 46 12.287 -10.689 6.085 340 HE2 LYS 46 2HE LYS 46 13.024 -9.700 8.881 341 HE3 LYS 46 3HE LYS 46 14.064 -9.528 7.480 342 HZ1 LYS 46 1HZ LYS 46 12.139 -8.325 6.404 343 HZ2 LYS 46 2HZ LYS 46 11.384 -8.314 7.847 344 H ALA 47 HN ALA 47 6.546 -11.312 7.401 345 HA ALA 47 HA ALA 47 5.540 -9.497 5.411 346 HB1 ALA 47 1HB ALA 47 4.628 -12.112 6.640 347 HB2 ALA 47 2HB ALA 47 3.583 -11.186 5.537 348 HB3 ALA 47 3HB ALA 47 5.159 -11.791 4.972 349 H PHE 48 HN PHE 48 5.003 -10.301 8.856 350 HA PHE 48 HA PHE 48 2.571 -8.973 9.151 351 HB2 PHE 48 2HB PHE 48 3.682 -10.577 10.765 352 HB3 PHE 48 3HB PHE 48 4.963 -9.414 11.039 353 HD1 PHE 48 HD1 PHE 48 1.365 -10.061 11.564 354 HD2 PHE 48 HD2 PHE 48 4.693 -7.635 12.590 355 HE1 PHE 48 HE1 PHE 48 0.054 -9.063 13.457 356 HE2 PHE 48 HE2 PHE 48 3.381 -6.637 14.483 357 HZ PHE 48 HZ PHE 48 1.077 -7.362 14.893 358 H ALA 49 HN ALA 49 5.833 -7.779 8.699 359 HA ALA 49 HA ALA 49 5.242 -5.217 9.905 360 HB1 ALA 49 1HB ALA 49 7.592 -6.724 8.979 361 HB2 ALA 49 2HB ALA 49 7.638 -5.006 8.516 362 HB3 ALA 49 3HB ALA 49 7.465 -5.462 10.228 363 H ILE 50 HN ILE 50 4.664 -6.841 6.941 364 HA ILE 50 HA ILE 50 5.022 -4.636 5.193 365 HB ILE 50 HB ILE 50 3.376 -7.148 4.875 366 HG12 ILE 50 2HG1 ILE 50 5.801 -7.510 5.437 367 HG13 ILE 50 3HG1 ILE 50 5.274 -8.187 3.908 368 HG21 ILE 50 1HG2 ILE 50 2.626 -6.053 3.064 369 HG22 ILE 50 2HG2 ILE 50 3.941 -4.854 3.111 370 HG23 ILE 50 3HG2 ILE 50 4.221 -6.454 2.382 371 HD11 ILE 50 1HD1 ILE 50 6.318 -6.437 2.640 372 HD12 ILE 50 2HD1 ILE 50 6.535 -5.421 4.085 373 HD13 ILE 50 3HD1 ILE 50 7.505 -6.900 3.883 374 H ILE 51 HN ILE 51 2.052 -6.229 6.563 375 HA ILE 51 HA ILE 51 0.365 -4.156 5.666 376 HB ILE 51 HB ILE 51 -0.238 -6.039 7.929 377 HG12 ILE 51 2HG1 ILE 51 -1.047 -7.227 5.490 378 HG13 ILE 51 3HG1 ILE 51 0.632 -6.775 5.277 379 HG21 ILE 51 1HG2 ILE 51 -1.734 -4.111 6.568 380 HG22 ILE 51 2HG2 ILE 51 -2.267 -5.669 5.892 381 HG23 ILE 51 3HG2 ILE 51 -2.343 -5.387 7.648 382 HD11 ILE 51 1HD1 ILE 51 0.992 -8.795 6.322 383 HD12 ILE 51 2HD1 ILE 51 0.788 -7.810 7.790 384 HD13 ILE 51 3HD1 ILE 51 -0.579 -8.758 7.159 385 H ASP 52 HN ASP 52 1.143 -5.078 9.095 386 HA ASP 52 HA ASP 52 0.214 -2.950 10.336 387 HB2 ASP 52 2HB ASP 52 1.809 -5.009 11.069 388 HB3 ASP 52 3HB ASP 52 3.023 -3.745 11.086 389 HD2 ASP 52 HD2 ASP 52 0.085 -4.411 13.446 390 H GLN 53 HN GLN 53 0.385 -0.820 9.553 391 HA GLN 53 HA GLN 53 2.958 0.028 8.551 392 HB2 GLN 53 2HB GLN 53 0.488 1.773 8.624 393 HB3 GLN 53 3HB GLN 53 1.816 1.801 7.482 394 HG2 GLN 53 2HG GLN 53 1.096 -0.417 6.581 395 HG3 GLN 53 3HG GLN 53 -0.226 -0.459 7.731 396 HE21 GLN 53 1HE2 GLN 53 -2.056 -0.108 6.744 397 HE22 GLN 53 2HE2 GLN 53 -2.394 1.100 5.550 398 H ASP 54 HN ASP 54 0.610 0.732 11.061 399 HA ASP 54 HA ASP 54 2.029 2.980 12.230 400 HB2 ASP 54 2HB ASP 54 0.383 2.490 14.099 401 HB3 ASP 54 3HB ASP 54 -0.357 2.706 12.515 402 H LYS 55 HN LYS 55 2.349 -0.568 12.445 403 HA LYS 55 HA LYS 55 3.584 -1.877 13.730 404 HB2 LYS 55 2HB LYS 55 5.520 0.333 14.300 405 HB3 LYS 55 3HB LYS 55 5.821 -1.336 13.859 406 HG2 LYS 55 2HG LYS 55 4.647 0.761 11.971 407 HG3 LYS 55 3HG LYS 55 6.338 0.301 12.008 408 HD2 LYS 55 2HD LYS 55 4.061 -1.673 11.509 409 HD3 LYS 55 3HD LYS 55 4.957 -0.882 10.227 410 HE2 LYS 55 2HE LYS 55 6.156 -2.884 10.430 411 HE3 LYS 55 3HE LYS 55 7.090 -1.835 11.478 412 HZ1 LYS 55 1HZ LYS 55 5.121 -3.885 12.287 413 HZ2 LYS 55 2HZ LYS 55 6.673 -3.744 12.760 414 H SER 56 HN SER 56 1.424 -0.164 14.967 415 HA SER 56 HA SER 56 2.088 0.861 17.363 416 HB2 SER 56 2HB SER 56 -0.350 -0.847 17.406 417 HB3 SER 56 3HB SER 56 -0.173 0.857 17.778 418 HG SER 56 HG SER 56 -0.788 1.347 15.790 419 H GLY 57 HN GLY 57 2.208 -2.493 16.325 420 HA2 GLY 57 1HA GLY 57 3.773 -3.733 17.878 421 HA3 GLY 57 2HA GLY 57 2.580 -3.389 19.115 422 H PHE 58 HN PHE 58 0.133 -3.814 18.015 423 HA PHE 58 HA PHE 58 0.314 -6.505 16.858 424 HB2 PHE 58 2HB PHE 58 -1.416 -5.319 19.101 425 HB3 PHE 58 3HB PHE 58 -1.857 -6.819 18.310 426 HD1 PHE 58 HD1 PHE 58 1.148 -5.295 19.933 427 HD2 PHE 58 HD2 PHE 58 -1.218 -8.769 19.347 428 HE1 PHE 58 HE1 PHE 58 2.619 -6.565 21.522 429 HE2 PHE 58 HE2 PHE 58 0.254 -10.039 20.935 430 HZ PHE 58 HZ PHE 58 2.154 -8.922 22.004 431 H ILE 59 HN ILE 59 -1.045 -6.919 15.136 432 HA ILE 59 HA ILE 59 -2.315 -4.699 13.931 433 HB ILE 59 HB ILE 59 -2.307 -7.652 13.313 434 HG12 ILE 59 2HG1 ILE 59 -0.860 -5.364 11.951 435 HG13 ILE 59 3HG1 ILE 59 -0.137 -6.388 13.176 436 HG21 ILE 59 1HG2 ILE 59 -3.802 -7.380 11.690 437 HG22 ILE 59 2HG2 ILE 59 -4.186 -5.801 12.416 438 HG23 ILE 59 3HG2 ILE 59 -2.998 -5.908 11.095 439 HD11 ILE 59 1HD1 ILE 59 -1.032 -7.121 10.381 440 HD12 ILE 59 2HD1 ILE 59 0.512 -7.470 11.195 441 HD13 ILE 59 3HD1 ILE 59 -0.953 -8.378 11.639 442 H GLU 60 HN GLU 60 -3.775 -3.920 15.577 443 HA GLU 60 HA GLU 60 -5.650 -5.468 16.822 444 HB2 GLU 60 2HB GLU 60 -5.899 -2.553 15.956 445 HB3 GLU 60 3HB GLU 60 -6.885 -3.329 17.180 446 HG2 GLU 60 2HG GLU 60 -5.206 -3.293 18.758 447 HG3 GLU 60 3HG GLU 60 -3.951 -3.650 17.587 448 HE2 GLU 60 HE2 GLU 60 -2.679 -1.531 17.066 449 H GLU 61 HN GLU 61 -8.144 -5.258 16.469 450 HA GLU 61 HA GLU 61 -8.777 -6.507 14.134 451 HB2 GLU 61 2HB GLU 61 -10.273 -6.654 16.003 452 HB3 GLU 61 3HB GLU 61 -10.454 -4.914 16.103 453 HG2 GLU 61 2HG GLU 61 -11.251 -6.273 13.528 454 HG3 GLU 61 3HG GLU 61 -12.308 -6.455 14.914 455 HE2 GLU 61 HE2 GLU 61 -12.415 -3.758 15.953 456 H GLU 62 HN GLU 62 -8.597 -3.024 14.892 457 HA GLU 62 HA GLU 62 -10.003 -2.165 12.639 458 HB2 GLU 62 2HB GLU 62 -7.852 -0.721 14.250 459 HB3 GLU 62 3HB GLU 62 -8.969 0.047 13.140 460 HG2 GLU 62 2HG GLU 62 -10.890 -0.860 14.539 461 HG3 GLU 62 3HG GLU 62 -9.713 -1.462 15.689 462 HE2 GLU 62 HE2 GLU 62 -11.151 1.621 16.599 463 H GLU 63 HN GLU 63 -6.723 -3.340 13.157 464 HA GLU 63 HA GLU 63 -5.792 -2.189 10.701 465 HB2 GLU 63 2HB GLU 63 -4.579 -3.781 12.948 466 HB3 GLU 63 3HB GLU 63 -3.768 -3.819 11.395 467 HG2 GLU 63 2HG GLU 63 -3.524 -1.397 11.366 468 HG3 GLU 63 3HG GLU 63 -4.587 -1.211 12.747 469 H LEU 64 HN LEU 64 -7.071 -5.257 11.957 470 HA LEU 64 HA LEU 64 -6.164 -7.019 10.062 471 HB2 LEU 64 2HB LEU 64 -8.525 -6.821 11.848 472 HB3 LEU 64 3HB LEU 64 -8.630 -7.973 10.532 473 HG LEU 64 HG LEU 64 -6.413 -7.912 12.597 474 HD11 LEU 64 1HD1 LEU 64 -8.391 -8.512 13.754 475 HD12 LEU 64 2HD1 LEU 64 -8.938 -9.568 12.430 476 HD13 LEU 64 3HD1 LEU 64 -7.528 -10.030 13.413 477 HD21 LEU 64 1HD2 LEU 64 -5.356 -9.529 11.473 478 HD22 LEU 64 2HD2 LEU 64 -6.869 -10.383 11.085 479 HD23 LEU 64 3HD2 LEU 64 -6.338 -9.012 10.081 480 H LYS 65 HN LYS 65 -9.169 -4.981 9.953 481 HA LYS 65 HA LYS 65 -10.008 -5.787 7.456 482 HB2 LYS 65 2HB LYS 65 -11.513 -4.029 7.567 483 HB3 LYS 65 3HB LYS 65 -11.157 -4.331 9.256 484 HG2 LYS 65 2HG LYS 65 -9.385 -2.506 9.141 485 HG3 LYS 65 3HG LYS 65 -9.922 -2.150 7.511 486 HD2 LYS 65 2HD LYS 65 -11.013 -0.620 9.104 487 HD3 LYS 65 3HD LYS 65 -12.214 -1.656 8.357 488 HE2 LYS 65 2HE LYS 65 -12.575 -2.899 10.315 489 HE3 LYS 65 3HE LYS 65 -10.963 -2.599 10.935 490 HZ1 LYS 65 1HZ LYS 65 -13.125 -0.565 10.786 491 HZ2 LYS 65 2HZ LYS 65 -12.619 -1.301 12.147 492 H LEU 66 HN LEU 66 -7.213 -3.930 8.385 493 HA LEU 66 HA LEU 66 -6.955 -2.798 5.717 494 HB2 LEU 66 2HB LEU 66 -5.072 -2.492 8.049 495 HB3 LEU 66 3HB LEU 66 -5.180 -1.500 6.608 496 HG LEU 66 HG LEU 66 -7.141 -1.635 8.907 497 HD11 LEU 66 1HD1 LEU 66 -6.280 0.305 9.628 498 HD12 LEU 66 2HD1 LEU 66 -4.867 -0.151 8.647 499 HD13 LEU 66 3HD1 LEU 66 -6.092 0.956 7.982 500 HD21 LEU 66 1HD2 LEU 66 -8.226 -1.529 6.593 501 HD22 LEU 66 2HD2 LEU 66 -8.666 -0.266 7.768 502 HD23 LEU 66 3HD2 LEU 66 -7.510 0.096 6.464 503 H PHE 67 HN PHE 67 -6.922 -5.747 6.219 504 HA PHE 67 HA PHE 67 -4.186 -6.531 6.008 505 HB2 PHE 67 2HB PHE 67 -5.917 -7.984 7.023 506 HB3 PHE 67 3HB PHE 67 -6.934 -7.843 5.603 507 HD1 PHE 67 HD1 PHE 67 -3.723 -9.242 6.814 508 HD2 PHE 67 HD2 PHE 67 -6.723 -9.359 3.815 509 HE1 PHE 67 HE1 PHE 67 -2.705 -11.337 5.876 510 HE2 PHE 67 HE2 PHE 67 -5.705 -11.453 2.877 511 HZ PHE 67 HZ PHE 67 -3.708 -12.417 3.919 512 H LEU 68 HN LEU 68 -6.059 -4.844 3.887 513 HA LEU 68 HA LEU 68 -4.912 -6.256 1.578 514 HB2 LEU 68 2HB LEU 68 -7.559 -4.893 1.958 515 HB3 LEU 68 3HB LEU 68 -6.842 -5.013 0.363 516 HG LEU 68 HG LEU 68 -7.764 -7.248 2.170 517 HD11 LEU 68 1HD1 LEU 68 -8.768 -7.747 -0.303 518 HD12 LEU 68 2HD1 LEU 68 -9.612 -6.823 0.963 519 HD13 LEU 68 3HD1 LEU 68 -8.714 -5.968 -0.315 520 HD21 LEU 68 1HD2 LEU 68 -5.900 -7.402 -0.198 521 HD22 LEU 68 2HD2 LEU 68 -5.712 -8.109 1.425 522 HD23 LEU 68 3HD2 LEU 68 -6.921 -8.772 0.300 523 H GLN 69 HN GLN 69 -4.716 -3.568 3.619 524 HA GLN 69 HA GLN 69 -4.018 -1.735 1.521 525 HB2 GLN 69 2HB GLN 69 -4.032 -1.469 4.558 526 HB3 GLN 69 3HB GLN 69 -3.585 -0.168 3.472 527 HG2 GLN 69 2HG GLN 69 -5.912 -0.674 2.315 528 HG3 GLN 69 3HG GLN 69 -6.292 -1.490 3.818 529 HE21 GLN 69 1HE2 GLN 69 -7.789 0.603 3.096 530 HE22 GLN 69 2HE2 GLN 69 -7.493 1.993 4.086 531 H ASN 70 HN ASN 70 -2.514 -4.350 2.835 532 HA ASN 70 HA ASN 70 0.009 -3.141 3.386 533 HB2 ASN 70 2HB ASN 70 0.762 -5.431 3.827 534 HB3 ASN 70 3HB ASN 70 -0.829 -5.243 4.537 535 HD21 ASN 70 1HD2 ASN 70 -2.654 -6.121 3.503 536 HD22 ASN 70 2HD2 ASN 70 -2.534 -7.439 2.386 537 H PHE 71 HN PHE 71 -1.541 -5.241 0.864 538 HA PHE 71 HA PHE 71 0.828 -5.248 -0.753 539 HB2 PHE 71 2HB PHE 71 -2.096 -6.041 -1.302 540 HB3 PHE 71 3HB PHE 71 -0.723 -6.538 -2.272 541 HD1 PHE 71 HD1 PHE 71 1.207 -7.721 -0.789 542 HD2 PHE 71 HD2 PHE 71 -2.923 -7.591 0.180 543 HE1 PHE 71 HE1 PHE 71 1.479 -9.763 0.645 544 HE2 PHE 71 HE2 PHE 71 -2.651 -9.633 1.613 545 HZ PHE 71 HZ PHE 71 -0.453 -10.695 1.829 546 H LYS 72 HN LYS 72 -1.240 -2.803 -0.038 547 HA LYS 72 HA LYS 72 -0.534 -1.278 -2.260 548 HB2 LYS 72 2HB LYS 72 -2.213 -2.849 -3.341 549 HB3 LYS 72 3HB LYS 72 -3.447 -2.099 -2.349 550 HG2 LYS 72 2HG LYS 72 -3.612 -0.696 -4.177 551 HG3 LYS 72 3HG LYS 72 -2.340 0.161 -3.329 552 HD2 LYS 72 2HD LYS 72 -1.736 -2.026 -5.365 553 HD3 LYS 72 3HD LYS 72 -1.939 -0.350 -5.835 554 HE2 LYS 72 2HE LYS 72 0.321 -0.225 -5.447 555 HE3 LYS 72 3HE LYS 72 -0.166 -0.027 -3.775 556 HZ1 LYS 72 1HZ LYS 72 -0.134 -2.757 -4.209 557 HZ2 LYS 72 2HZ LYS 72 1.211 -2.218 -4.953 558 H ALA 73 HN ALA 73 -1.174 0.941 -1.985 559 HA ALA 73 HA ALA 73 -2.123 1.436 0.737 560 HB1 ALA 73 1HB ALA 73 -1.194 3.801 -0.588 561 HB2 ALA 73 2HB ALA 73 -0.439 2.920 0.761 562 HB3 ALA 73 3HB ALA 73 -0.033 2.493 -0.919 563 H GLY 74 HN GLY 74 -3.835 0.650 -1.647 564 HA2 GLY 74 1HA GLY 74 -5.760 2.819 -1.345 565 HA3 GLY 74 2HA GLY 74 -5.187 2.506 -2.971 566 H ALA 75 HN ALA 75 -5.257 -0.213 -0.733 567 HA ALA 75 HA ALA 75 -7.324 -1.430 -2.358 568 HB1 ALA 75 1HB ALA 75 -6.113 -3.272 -1.932 569 HB2 ALA 75 2HB ALA 75 -4.997 -2.290 -0.951 570 HB3 ALA 75 3HB ALA 75 -6.396 -3.080 -0.185 571 H ARG 76 HN ARG 76 -9.259 -2.388 -1.436 572 HA ARG 76 HA ARG 76 -10.522 -0.685 0.321 573 HB2 ARG 76 2HB ARG 76 -12.355 -2.352 0.298 574 HB3 ARG 76 3HB ARG 76 -11.701 -2.153 -1.316 575 HG2 ARG 76 2HG ARG 76 -10.719 -4.266 -1.342 576 HG3 ARG 76 3HG ARG 76 -10.437 -4.280 0.388 577 HD2 ARG 76 2HD ARG 76 -12.861 -4.648 0.808 578 HD3 ARG 76 3HD ARG 76 -13.193 -4.555 -0.910 579 HE ARG 76 HE ARG 76 -11.234 -6.546 -0.664 580 HH11 ARG 76 HH1 ARG 76 -13.197 -9.322 0.047 581 HH21 ARG 76 1HH2 ARG 76 -14.860 -7.728 0.707 582 HH22 ARG 76 2HH2 ARG 76 -14.506 -6.037 0.596 583 H ALA 77 HN ALA 77 -11.910 -2.253 2.214 584 HA ALA 77 HA ALA 77 -9.802 -3.482 3.832 585 HB1 ALA 77 1HB ALA 77 -11.372 -1.020 4.390 586 HB2 ALA 77 2HB ALA 77 -11.285 -2.194 5.726 587 HB3 ALA 77 3HB ALA 77 -9.789 -1.536 5.020 588 H LEU 78 HN LEU 78 -10.428 -5.464 4.531 589 HA LEU 78 HA LEU 78 -12.667 -6.732 3.789 590 HB2 LEU 78 2HB LEU 78 -11.035 -7.052 6.304 591 HB3 LEU 78 3HB LEU 78 -12.305 -8.169 5.845 592 HG LEU 78 HG LEU 78 -10.520 -9.276 4.980 593 HD11 LEU 78 1HD1 LEU 78 -12.021 -8.805 3.105 594 HD12 LEU 78 2HD1 LEU 78 -11.089 -7.338 2.720 595 HD13 LEU 78 3HD1 LEU 78 -10.329 -8.941 2.569 596 HD21 LEU 78 1HD2 LEU 78 -8.976 -7.370 5.748 597 HD22 LEU 78 2HD2 LEU 78 -8.427 -8.410 4.411 598 HD23 LEU 78 3HD2 LEU 78 -9.082 -6.790 4.068 599 H SER 79 HN SER 79 -14.815 -6.855 4.338 600 HA SER 79 HA SER 79 -15.908 -4.710 5.694 601 HB2 SER 79 2HB SER 79 -17.021 -6.210 3.957 602 HB3 SER 79 3HB SER 79 -17.225 -7.417 5.211 603 HG SER 79 HG SER 79 -18.699 -6.147 6.277 604 H ASP 80 HN ASP 80 -17.515 -5.027 7.643 605 HA ASP 80 HA ASP 80 -16.107 -5.566 9.864 606 HB2 ASP 80 2HB ASP 80 -18.473 -6.001 10.912 607 HB3 ASP 80 3HB ASP 80 -18.134 -4.432 10.210 608 HD2 ASP 80 HD2 ASP 80 -20.728 -4.201 9.057 609 H ALA 81 HN ALA 81 -17.643 -7.794 7.610 610 HA ALA 81 HA ALA 81 -17.650 -9.995 9.494 611 HB1 ALA 81 1HB ALA 81 -18.157 -10.308 6.551 612 HB2 ALA 81 2HB ALA 81 -18.969 -11.079 7.935 613 HB3 ALA 81 3HB ALA 81 -19.334 -9.387 7.518 614 H GLU 82 HN GLU 82 -16.196 -9.334 6.221 615 HA GLU 82 HA GLU 82 -14.509 -11.444 6.182 616 HB2 GLU 82 2HB GLU 82 -14.094 -8.632 5.082 617 HB3 GLU 82 3HB GLU 82 -13.079 -9.995 4.654 618 HG2 GLU 82 2HG GLU 82 -14.617 -10.177 2.938 619 HG3 GLU 82 3HG GLU 82 -15.457 -11.148 4.131 620 HE2 GLU 82 HE2 GLU 82 -15.388 -8.207 2.522 621 H THR 83 HN THR 83 -14.379 -8.608 8.225 622 HA THR 83 HA THR 83 -11.561 -9.001 8.845 623 HB THR 83 HB THR 83 -13.676 -7.001 9.805 624 HG1 THR 83 HG1 THR 83 -12.800 -5.818 8.091 625 HG21 THR 83 1HG2 THR 83 -11.917 -5.770 10.824 626 HG22 THR 83 2HG2 THR 83 -11.517 -7.444 11.277 627 HG23 THR 83 3HG2 THR 83 -10.658 -6.657 9.931 628 H LYS 84 HN LYS 84 -14.774 -9.803 10.079 629 HA LYS 84 HA LYS 84 -13.832 -10.397 12.706 630 HB2 LYS 84 2HB LYS 84 -16.392 -10.495 11.220 631 HB3 LYS 84 3HB LYS 84 -16.220 -11.694 12.485 632 HG2 LYS 84 2HG LYS 84 -15.740 -9.972 14.155 633 HG3 LYS 84 3HG LYS 84 -15.636 -8.731 12.922 634 HD2 LYS 84 2HD LYS 84 -17.818 -8.454 13.822 635 HD3 LYS 84 3HD LYS 84 -18.090 -9.326 12.326 636 HE2 LYS 84 2HE LYS 84 -18.041 -11.496 13.681 637 HE3 LYS 84 3HE LYS 84 -17.988 -10.520 15.135 638 HZ1 LYS 84 1HZ LYS 84 -20.084 -9.413 14.162 639 HZ2 LYS 84 2HZ LYS 84 -20.185 -10.701 13.171 640 H ALA 85 HN ALA 85 -14.432 -12.207 9.659 641 HA ALA 85 HA ALA 85 -14.041 -14.756 10.780 642 HB1 ALA 85 1HB ALA 85 -14.638 -13.571 8.246 643 HB2 ALA 85 2HB ALA 85 -13.250 -14.661 8.019 644 HB3 ALA 85 3HB ALA 85 -14.763 -15.282 8.721 645 H PHE 86 HN PHE 86 -11.853 -12.276 9.375 646 HA PHE 86 HA PHE 86 -9.591 -14.032 9.532 647 HB2 PHE 86 2HB PHE 86 -10.009 -12.136 7.843 648 HB3 PHE 86 3HB PHE 86 -9.868 -10.989 9.160 649 HD1 PHE 86 HD1 PHE 86 -7.995 -9.776 8.368 650 HD2 PHE 86 HD2 PHE 86 -7.754 -13.995 8.757 651 HE1 PHE 86 HE1 PHE 86 -5.514 -9.668 8.008 652 HE2 PHE 86 HE2 PHE 86 -5.273 -13.886 8.397 653 HZ PHE 86 HZ PHE 86 -4.182 -11.724 8.027 654 H LEU 87 HN LEU 87 -11.344 -12.007 11.722 655 HA LEU 87 HA LEU 87 -9.051 -11.351 13.335 656 HB2 LEU 87 2HB LEU 87 -10.776 -9.733 13.202 657 HB3 LEU 87 3HB LEU 87 -12.018 -10.905 13.594 658 HG LEU 87 HG LEU 87 -11.096 -11.112 15.882 659 HD11 LEU 87 1HD1 LEU 87 -8.755 -10.277 14.996 660 HD12 LEU 87 2HD1 LEU 87 -9.396 -8.687 15.474 661 HD13 LEU 87 3HD1 LEU 87 -9.266 -9.992 16.677 662 HD21 LEU 87 1HD2 LEU 87 -12.483 -8.880 14.745 663 HD22 LEU 87 2HD2 LEU 87 -12.643 -9.601 16.365 664 HD23 LEU 87 3HD2 LEU 87 -11.454 -8.307 16.080 665 H LYS 88 HN LYS 88 -11.982 -13.473 13.598 666 HA LYS 88 HA LYS 88 -11.044 -14.647 16.012 667 HB2 LYS 88 2HB LYS 88 -13.362 -15.006 14.164 668 HB3 LYS 88 3HB LYS 88 -12.951 -16.348 15.214 669 HG2 LYS 88 2HG LYS 88 -13.292 -15.072 17.197 670 HG3 LYS 88 3HG LYS 88 -13.147 -13.543 16.355 671 HD2 LYS 88 2HD LYS 88 -15.511 -13.987 16.916 672 HD3 LYS 88 3HD LYS 88 -15.296 -13.958 15.177 673 HE2 LYS 88 2HE LYS 88 -15.043 -16.612 16.598 674 HE3 LYS 88 3HE LYS 88 -16.647 -15.940 16.382 675 HZ1 LYS 88 1HZ LYS 88 -15.747 -15.626 13.927 676 HZ2 LYS 88 2HZ LYS 88 -14.775 -16.868 14.334 677 H ALA 89 HN ALA 89 -10.552 -15.184 12.564 678 HA ALA 89 HA ALA 89 -9.895 -17.865 12.561 679 HB1 ALA 89 1HB ALA 89 -9.137 -15.448 10.931 680 HB2 ALA 89 2HB ALA 89 -8.305 -16.994 10.635 681 HB3 ALA 89 3HB ALA 89 -10.072 -16.887 10.459 682 H GLY 90 HN GLY 90 -7.549 -15.084 12.696 683 HA2 GLY 90 1HA GLY 90 -5.429 -16.781 13.591 684 HA3 GLY 90 2HA GLY 90 -5.414 -15.035 13.441 685 H ASP 91 HN ASP 91 -6.730 -13.780 15.159 686 HA ASP 91 HA ASP 91 -5.719 -14.169 17.585 687 HB2 ASP 91 2HB ASP 91 -7.392 -12.349 16.541 688 HB3 ASP 91 3HB ASP 91 -8.601 -13.272 17.411 689 HD2 ASP 91 HD2 ASP 91 -8.588 -11.020 18.253 690 H SER 92 HN SER 92 -5.918 -15.824 19.101 691 HA SER 92 HA SER 92 -8.239 -17.544 18.839 692 HB2 SER 92 2HB SER 92 -6.193 -18.783 18.729 693 HB3 SER 92 3HB SER 92 -5.491 -17.910 20.076 694 HG SER 92 HG SER 92 -6.214 -20.035 20.709 695 H ASP 93 HN ASP 93 -6.438 -15.528 21.057 696 HA ASP 93 HA ASP 93 -7.972 -16.127 23.446 697 HB2 ASP 93 2HB ASP 93 -6.649 -14.354 24.375 698 HB3 ASP 93 3HB ASP 93 -5.613 -15.159 23.199 699 H GLY 94 HN GLY 94 -8.730 -14.339 20.542 700 HA2 GLY 94 1HA GLY 94 -10.353 -12.867 20.032 701 HA3 GLY 94 2HA GLY 94 -11.268 -13.620 21.323 702 H ASP 95 HN ASP 95 -8.296 -11.517 21.227 703 HA ASP 95 HA ASP 95 -9.469 -10.007 23.394 704 HB2 ASP 95 2HB ASP 95 -7.207 -9.006 23.605 705 HB3 ASP 95 3HB ASP 95 -7.135 -10.756 23.652 706 HD2 ASP 95 HD2 ASP 95 -4.927 -9.542 23.118 707 H GLY 96 HN GLY 96 -8.770 -9.938 19.948 708 HA2 GLY 96 1HA GLY 96 -9.902 -8.355 18.579 709 HA3 GLY 96 2HA GLY 96 -9.685 -7.136 19.819 710 H LYS 97 HN LYS 97 -6.919 -9.195 19.467 711 HA LYS 97 HA LYS 97 -5.701 -7.365 17.540 712 HB2 LYS 97 2HB LYS 97 -4.302 -8.142 20.106 713 HB3 LYS 97 3HB LYS 97 -3.793 -6.968 18.908 714 HG2 LYS 97 2HG LYS 97 -5.898 -5.628 19.428 715 HG3 LYS 97 3HG LYS 97 -6.235 -6.752 20.729 716 HD2 LYS 97 2HD LYS 97 -3.883 -4.840 20.474 717 HD3 LYS 97 3HD LYS 97 -5.089 -4.900 21.745 718 HE2 LYS 97 2HE LYS 97 -3.385 -6.018 22.846 719 HE3 LYS 97 3HE LYS 97 -4.123 -7.398 22.056 720 HZ1 LYS 97 1HZ LYS 97 -1.757 -5.890 21.088 721 HZ2 LYS 97 2HZ LYS 97 -1.783 -7.436 21.597 722 H ILE 98 HN ILE 98 -3.993 -8.302 16.302 723 HA ILE 98 HA ILE 98 -3.761 -11.207 16.666 724 HB ILE 98 HB ILE 98 -4.316 -9.599 14.198 725 HG12 ILE 98 2HG1 ILE 98 -5.544 -11.957 15.603 726 HG13 ILE 98 3HG1 ILE 98 -6.291 -10.455 15.098 727 HG21 ILE 98 1HG2 ILE 98 -3.701 -11.532 12.818 728 HG22 ILE 98 2HG2 ILE 98 -2.295 -10.857 13.677 729 HG23 ILE 98 3HG2 ILE 98 -3.058 -12.356 14.259 730 HD11 ILE 98 1HD1 ILE 98 -5.867 -11.148 12.680 731 HD12 ILE 98 2HD1 ILE 98 -5.355 -12.734 13.302 732 HD13 ILE 98 3HD1 ILE 98 -7.025 -12.174 13.561 733 H GLY 99 HN GLY 99 -1.751 -11.543 17.466 734 HA2 GLY 99 1HA GLY 99 0.403 -9.721 16.852 735 HA3 GLY 99 2HA GLY 99 0.450 -11.133 17.889 736 H ILE 100 HN ILE 100 2.582 -11.507 16.764 737 HA ILE 100 HA ILE 100 2.400 -12.324 14.004 738 HB ILE 100 HB ILE 100 4.319 -11.080 15.303 739 HG12 ILE 100 2HG1 ILE 100 4.381 -11.432 12.938 740 HG13 ILE 100 3HG1 ILE 100 5.924 -11.931 13.601 741 HG21 ILE 100 1HG2 ILE 100 5.999 -12.382 16.247 742 HG22 ILE 100 2HG2 ILE 100 4.506 -13.122 16.873 743 HG23 ILE 100 3HG2 ILE 100 5.381 -13.887 15.524 744 HD11 ILE 100 1HD1 ILE 100 5.548 -13.817 12.348 745 HD12 ILE 100 2HD1 ILE 100 4.566 -14.305 13.750 746 HD13 ILE 100 3HD1 ILE 100 3.785 -13.572 12.329 747 H ASP 101 HN ASP 101 2.703 -13.775 17.272 748 HA ASP 101 HA ASP 101 3.181 -16.357 16.327 749 HB2 ASP 101 2HB ASP 101 1.699 -15.899 18.910 750 HB3 ASP 101 3HB ASP 101 3.016 -17.005 18.578 751 HD2 ASP 101 HD2 ASP 101 5.362 -14.539 18.421 752 H GLU 102 HN GLU 102 0.390 -14.293 16.401 753 HA GLU 102 HA GLU 102 -1.424 -16.554 16.387 754 HB2 GLU 102 2HB GLU 102 -1.704 -13.601 16.882 755 HB3 GLU 102 3HB GLU 102 -3.095 -14.443 16.228 756 HG2 GLU 102 2HG GLU 102 -3.337 -15.818 18.126 757 HG3 GLU 102 3HG GLU 102 -1.650 -15.675 18.578 758 H PHE 103 HN PHE 103 -0.199 -13.835 14.391 759 HA PHE 103 HA PHE 103 -1.983 -14.376 12.236 760 HB2 PHE 103 2HB PHE 103 -1.083 -12.133 12.522 761 HB3 PHE 103 3HB PHE 103 0.545 -12.736 12.763 762 HD1 PHE 103 HD1 PHE 103 -2.030 -13.145 10.077 763 HD2 PHE 103 HD2 PHE 103 1.962 -12.106 11.071 764 HE1 PHE 103 HE1 PHE 103 -1.527 -12.757 7.649 765 HE2 PHE 103 HE2 PHE 103 2.466 -11.718 8.643 766 HZ PHE 103 HZ PHE 103 0.715 -12.048 6.961 767 H ALA 104 HN ALA 104 1.178 -15.546 13.302 768 HA ALA 104 HA ALA 104 1.807 -16.622 10.692 769 HB1 ALA 104 1HB ALA 104 3.825 -17.478 11.926 770 HB2 ALA 104 2HB ALA 104 3.613 -15.714 12.032 771 HB3 ALA 104 3HB ALA 104 3.169 -16.748 13.411 772 H ALA 105 HN ALA 105 -0.127 -17.452 13.398 773 HA ALA 105 HA ALA 105 0.314 -20.292 13.197 774 HB1 ALA 105 1HB ALA 105 -1.553 -18.497 14.778 775 HB2 ALA 105 2HB ALA 105 -1.669 -20.272 14.828 776 HB3 ALA 105 3HB ALA 105 -0.181 -19.462 15.373 777 H MET 106 HN MET 106 -2.337 -17.928 12.445 778 HA MET 106 HA MET 106 -4.103 -19.732 11.415 779 HB2 MET 106 2HB MET 106 -4.992 -17.714 10.144 780 HB3 MET 106 3HB MET 106 -4.680 -17.376 11.835 781 HG2 MET 106 2HG MET 106 -2.360 -16.514 11.121 782 HG3 MET 106 3HG MET 106 -2.906 -16.643 9.461 783 HE1 MET 106 1HE MET 106 -6.095 -16.135 10.915 784 HE2 MET 106 2HE MET 106 -6.380 -14.516 10.231 785 HE3 MET 106 3HE MET 106 -5.741 -15.818 9.199 786 H ILE 107 HN ILE 107 -1.018 -18.764 10.154 787 HA ILE 107 HA ILE 107 -1.761 -19.642 7.465 788 HB ILE 107 HB ILE 107 0.534 -18.739 6.911 789 HG12 ILE 107 2HG1 ILE 107 0.302 -17.479 9.659 790 HG13 ILE 107 3HG1 ILE 107 1.397 -18.784 9.249 791 HG21 ILE 107 1HG2 ILE 107 -0.275 -16.339 7.043 792 HG22 ILE 107 2HG2 ILE 107 -1.357 -17.497 6.234 793 HG23 ILE 107 3HG2 ILE 107 -1.706 -16.967 7.897 794 HD11 ILE 107 1HD1 ILE 107 1.832 -16.866 7.227 795 HD12 ILE 107 2HD1 ILE 107 1.660 -15.918 8.723 796 HD13 ILE 107 3HD1 ILE 107 2.891 -17.200 8.618 797 H LYS 108 HN LYS 108 0.538 -20.242 10.183 798 HA LYS 108 HA LYS 108 1.952 -22.297 8.979 799 HB2 LYS 108 2HB LYS 108 2.612 -21.112 11.044 800 HB3 LYS 108 3HB LYS 108 1.307 -21.892 11.915 801 HG2 LYS 108 2HG LYS 108 2.486 -23.825 12.152 802 HG3 LYS 108 3HG LYS 108 2.904 -23.868 10.451 803 HD2 LYS 108 2HD LYS 108 4.314 -21.797 12.100 804 HD3 LYS 108 3HD LYS 108 4.736 -23.465 12.435 805 HE2 LYS 108 2HE LYS 108 5.056 -23.753 9.881 806 HE3 LYS 108 3HE LYS 108 4.940 -22.008 9.764 807 HZ1 LYS 108 1HZ LYS 108 6.903 -23.383 11.518 808 HZ2 LYS 108 2HZ LYS 108 7.258 -22.849 10.021 809 H GLY 109 HN GLY 109 -1.291 -22.194 10.414 810 HA2 GLY 109 1HA GLY 109 -1.578 -25.062 9.746 811 HA3 GLY 109 2HA GLY 109 -2.244 -24.366 11.210 Start of MODEL 5 1 H SER 0 HN SER 0 2.833 0.929 -5.805 2 HA SER 0 HA SER 0 4.734 1.131 -3.781 3 HB2 SER 0 2HB SER 0 1.695 1.345 -3.599 4 HB3 SER 0 3HB SER 0 2.825 1.930 -2.394 5 HG SER 0 HG SER 0 2.286 3.699 -3.689 6 H MET 1 HN MET 1 4.412 -1.638 -4.734 7 HA MET 1 HA MET 1 2.998 -2.959 -2.613 8 HB2 MET 1 2HB MET 1 4.637 -3.954 -5.008 9 HB3 MET 1 3HB MET 1 3.813 -5.033 -3.899 10 HG2 MET 1 2HG MET 1 2.212 -4.799 -5.608 11 HG3 MET 1 3HG MET 1 1.670 -3.596 -4.455 12 HE1 MET 1 1HE MET 1 2.459 -3.852 -8.364 13 HE2 MET 1 2HE MET 1 1.028 -3.995 -7.317 14 HE3 MET 1 3HE MET 1 1.281 -2.520 -8.280 15 H ALA 2 HN ALA 2 3.931 -3.495 -0.690 16 HA ALA 2 HA ALA 2 6.745 -3.142 -0.348 17 HB1 ALA 2 1HB ALA 2 5.954 -4.213 1.978 18 HB2 ALA 2 2HB ALA 2 5.602 -2.521 1.554 19 HB3 ALA 2 3HB ALA 2 4.351 -3.770 1.343 20 H PHE 3 HN PHE 3 4.438 -5.898 -0.589 21 HA PHE 3 HA PHE 3 6.211 -7.905 0.121 22 HB2 PHE 3 2HB PHE 3 3.684 -7.536 -1.500 23 HB3 PHE 3 3HB PHE 3 4.530 -9.049 -1.753 24 HD1 PHE 3 HD1 PHE 3 2.318 -7.225 0.388 25 HD2 PHE 3 HD2 PHE 3 4.991 -10.519 0.272 26 HE1 PHE 3 HE1 PHE 3 1.240 -8.172 2.447 27 HE2 PHE 3 HE2 PHE 3 3.912 -11.466 2.332 28 HZ PHE 3 HZ PHE 3 2.050 -10.281 3.394 29 H ALA 4 HN ALA 4 6.219 -5.823 -2.642 30 HA ALA 4 HA ALA 4 7.004 -7.311 -4.737 31 HB1 ALA 4 1HB ALA 4 8.074 -4.658 -3.708 32 HB2 ALA 4 2HB ALA 4 8.473 -5.315 -5.314 33 HB3 ALA 4 3HB ALA 4 6.784 -4.926 -4.906 34 H SER 5 HN SER 5 8.744 -6.796 -1.696 35 HA SER 5 HA SER 5 11.191 -7.789 -2.774 36 HB2 SER 5 2HB SER 5 11.697 -7.840 -0.157 37 HB3 SER 5 3HB SER 5 11.658 -6.327 -1.041 38 HG SER 5 HG SER 5 10.370 -6.512 1.049 39 H VAL 6 HN VAL 6 8.732 -8.912 -0.335 40 HA VAL 6 HA VAL 6 9.885 -11.446 0.001 41 HB VAL 6 HB VAL 6 6.972 -10.774 0.361 42 HG11 VAL 6 1HG1 VAL 6 7.178 -12.280 2.301 43 HG12 VAL 6 2HG1 VAL 6 7.629 -13.093 0.783 44 HG13 VAL 6 3HG1 VAL 6 8.894 -12.545 1.909 45 HG21 VAL 6 1HG2 VAL 6 7.919 -10.117 2.766 46 HG22 VAL 6 2HG2 VAL 6 9.345 -9.666 1.802 47 HG23 VAL 6 3HG2 VAL 6 7.765 -8.925 1.453 48 H LEU 7 HN LEU 7 6.849 -10.510 -1.777 49 HA LEU 7 HA LEU 7 7.393 -12.798 -3.539 50 HB2 LEU 7 2HB LEU 7 4.649 -11.683 -3.109 51 HB3 LEU 7 3HB LEU 7 5.133 -13.272 -3.670 52 HG LEU 7 HG LEU 7 5.825 -12.470 -0.866 53 HD11 LEU 7 1HD1 LEU 7 3.092 -12.727 -1.930 54 HD12 LEU 7 2HD1 LEU 7 3.434 -13.737 -0.504 55 HD13 LEU 7 3HD1 LEU 7 3.683 -11.976 -0.428 56 HD21 LEU 7 1HD2 LEU 7 4.863 -15.092 -0.977 57 HD22 LEU 7 2HD2 LEU 7 5.807 -14.882 -2.471 58 HD23 LEU 7 3HD2 LEU 7 6.561 -14.566 -0.890 59 H LYS 8 HN LYS 8 5.780 -12.313 -5.655 60 HA LYS 8 HA LYS 8 6.961 -9.868 -6.708 61 HB2 LYS 8 2HB LYS 8 5.452 -11.912 -8.324 62 HB3 LYS 8 3HB LYS 8 6.710 -10.806 -8.837 63 HG2 LYS 8 2HG LYS 8 7.190 -13.060 -6.835 64 HG3 LYS 8 3HG LYS 8 7.436 -13.246 -8.560 65 HD2 LYS 8 2HD LYS 8 9.087 -11.369 -8.532 66 HD3 LYS 8 3HD LYS 8 8.834 -11.166 -6.810 67 HE2 LYS 8 2HE LYS 8 10.862 -12.510 -7.199 68 HE3 LYS 8 3HE LYS 8 9.647 -13.492 -6.405 69 HZ1 LYS 8 1HZ LYS 8 9.188 -14.622 -8.403 70 HZ2 LYS 8 2HZ LYS 8 9.879 -13.494 -9.353 71 H ASP 9 HN ASP 9 5.779 -8.096 -7.370 72 HA ASP 9 HA ASP 9 3.333 -7.696 -6.191 73 HB2 ASP 9 2HB ASP 9 3.197 -5.686 -7.696 74 HB3 ASP 9 3HB ASP 9 4.738 -5.831 -6.876 75 HD2 ASP 9 HD2 ASP 9 6.270 -5.367 -9.884 76 H ALA 10 HN ALA 10 4.231 -9.463 -9.037 77 HA ALA 10 HA ALA 10 1.763 -9.047 -10.457 78 HB1 ALA 10 1HB ALA 10 3.279 -11.339 -11.343 79 HB2 ALA 10 2HB ALA 10 3.033 -9.776 -12.159 80 HB3 ALA 10 3HB ALA 10 4.389 -9.984 -11.024 81 H GLU 11 HN GLU 11 3.068 -11.167 -7.969 82 HA GLU 11 HA GLU 11 1.051 -13.149 -8.454 83 HB2 GLU 11 2HB GLU 11 3.325 -12.867 -6.464 84 HB3 GLU 11 3HB GLU 11 2.110 -14.114 -6.263 85 HG2 GLU 11 2HG GLU 11 3.530 -13.769 -8.927 86 HG3 GLU 11 3HG GLU 11 4.290 -14.667 -7.628 87 HE2 GLU 11 HE2 GLU 11 1.683 -16.393 -6.895 88 H VAL 12 HN VAL 12 2.055 -11.211 -5.535 89 HA VAL 12 HA VAL 12 -0.073 -11.629 -3.957 90 HB VAL 12 HB VAL 12 0.417 -9.524 -2.919 91 HG11 VAL 12 1HG1 VAL 12 2.232 -11.526 -3.280 92 HG12 VAL 12 2HG1 VAL 12 3.159 -10.120 -3.857 93 HG13 VAL 12 3HG1 VAL 12 2.478 -10.123 -2.212 94 HG21 VAL 12 1HG2 VAL 12 0.432 -7.930 -4.643 95 HG22 VAL 12 2HG2 VAL 12 2.121 -7.978 -4.085 96 HG23 VAL 12 3HG2 VAL 12 1.654 -8.818 -5.583 97 H THR 13 HN THR 13 0.098 -9.431 -6.800 98 HA THR 13 HA THR 13 -2.235 -8.045 -6.512 99 HB THR 13 HB THR 13 -0.603 -9.110 -8.826 100 HG1 THR 13 HG1 THR 13 -0.197 -7.135 -7.460 101 HG21 THR 13 1HG2 THR 13 -3.341 -7.770 -8.989 102 HG22 THR 13 2HG2 THR 13 -2.121 -7.567 -10.269 103 HG23 THR 13 3HG2 THR 13 -2.762 -9.186 -9.898 104 H ALA 14 HN ALA 14 -1.891 -11.304 -8.068 105 HA ALA 14 HA ALA 14 -4.524 -11.688 -8.686 106 HB1 ALA 14 1HB ALA 14 -3.194 -13.365 -9.506 107 HB2 ALA 14 2HB ALA 14 -2.168 -13.411 -8.052 108 HB3 ALA 14 3HB ALA 14 -3.765 -14.198 -8.040 109 H ALA 15 HN ALA 15 -2.863 -11.938 -5.524 110 HA ALA 15 HA ALA 15 -5.029 -13.185 -4.198 111 HB1 ALA 15 1HB ALA 15 -3.701 -12.949 -2.284 112 HB2 ALA 15 2HB ALA 15 -2.488 -12.978 -3.588 113 HB3 ALA 15 3HB ALA 15 -2.971 -11.429 -2.855 114 H LEU 16 HN LEU 16 -4.072 -9.808 -4.907 115 HA LEU 16 HA LEU 16 -5.924 -8.633 -3.133 116 HB2 LEU 16 2HB LEU 16 -4.257 -7.712 -5.439 117 HB3 LEU 16 3HB LEU 16 -5.521 -6.665 -4.826 118 HG LEU 16 HG LEU 16 -3.467 -7.835 -2.959 119 HD11 LEU 16 1HD1 LEU 16 -2.594 -5.258 -3.500 120 HD12 LEU 16 2HD1 LEU 16 -1.832 -6.774 -4.035 121 HD13 LEU 16 3HD1 LEU 16 -2.974 -5.927 -5.105 122 HD21 LEU 16 1HD2 LEU 16 -4.613 -6.685 -1.451 123 HD22 LEU 16 2HD2 LEU 16 -4.205 -5.179 -2.308 124 HD23 LEU 16 3HD2 LEU 16 -5.700 -6.056 -2.713 125 H ASP 17 HN ASP 17 -6.069 -9.826 -6.499 126 HA ASP 17 HA ASP 17 -8.696 -8.717 -6.806 127 HB2 ASP 17 2HB ASP 17 -6.759 -9.122 -8.606 128 HB3 ASP 17 3HB ASP 17 -7.461 -10.725 -8.702 129 HD2 ASP 17 HD2 ASP 17 -8.125 -9.421 -11.213 130 H GLY 18 HN GLY 18 -7.142 -11.568 -5.589 131 HA2 GLY 18 1HA GLY 18 -9.025 -13.555 -6.322 132 HA3 GLY 18 2HA GLY 18 -7.843 -13.634 -5.031 133 H CYS 19 HN CYS 19 -9.352 -10.797 -4.333 134 HA CYS 19 HA CYS 19 -11.632 -12.055 -3.021 135 HB2 CYS 19 2HB CYS 19 -11.114 -10.802 -0.925 136 HB3 CYS 19 3HB CYS 19 -9.967 -12.076 -1.293 137 HG CYS 19 HG CYS 19 -8.338 -10.391 -0.567 138 H LYS 20 HN LYS 20 -11.082 -10.281 -5.442 139 HA LYS 20 HA LYS 20 -11.654 -7.630 -4.894 140 HB2 LYS 20 2HB LYS 20 -12.220 -7.459 -7.241 141 HB3 LYS 20 3HB LYS 20 -10.810 -8.479 -7.042 142 HG2 LYS 20 2HG LYS 20 -12.426 -10.496 -7.068 143 HG3 LYS 20 3HG LYS 20 -13.674 -9.377 -7.579 144 HD2 LYS 20 2HD LYS 20 -12.049 -8.673 -9.480 145 HD3 LYS 20 3HD LYS 20 -11.100 -10.082 -9.049 146 HE2 LYS 20 2HE LYS 20 -13.494 -11.310 -9.226 147 HE3 LYS 20 3HE LYS 20 -13.857 -9.949 -10.268 148 HZ1 LYS 20 1HZ LYS 20 -12.054 -12.156 -10.750 149 HZ2 LYS 20 2HZ LYS 20 -12.838 -11.219 -11.826 150 H ALA 21 HN ALA 21 -13.858 -10.427 -5.518 151 HA ALA 21 HA ALA 21 -16.201 -8.848 -5.308 152 HB1 ALA 21 1HB ALA 21 -15.592 -11.819 -5.247 153 HB2 ALA 21 2HB ALA 21 -17.245 -11.185 -5.070 154 HB3 ALA 21 3HB ALA 21 -16.324 -10.866 -6.560 155 H ALA 22 HN ALA 22 -16.364 -7.655 -3.419 156 HA ALA 22 HA ALA 22 -15.481 -8.325 -0.940 157 HB1 ALA 22 1HB ALA 22 -16.811 -6.560 -0.187 158 HB2 ALA 22 2HB ALA 22 -16.669 -6.194 -1.923 159 HB3 ALA 22 3HB ALA 22 -18.147 -6.959 -1.293 160 H GLY 23 HN GLY 23 -16.019 -9.771 0.642 161 HA2 GLY 23 1HA GLY 23 -17.631 -10.970 1.883 162 HA3 GLY 23 2HA GLY 23 -18.644 -11.093 0.458 163 H SER 24 HN SER 24 -16.046 -11.656 -1.190 164 HA SER 24 HA SER 24 -16.107 -14.492 -0.615 165 HB2 SER 24 2HB SER 24 -14.647 -13.394 -2.998 166 HB3 SER 24 3HB SER 24 -15.612 -14.850 -2.859 167 HG SER 24 HG SER 24 -16.428 -12.174 -3.380 168 H PHE 25 HN PHE 25 -14.528 -12.249 0.857 169 HA PHE 25 HA PHE 25 -11.804 -12.724 0.200 170 HB2 PHE 25 2HB PHE 25 -12.702 -10.632 1.262 171 HB3 PHE 25 3HB PHE 25 -13.297 -11.558 2.625 172 HD1 PHE 25 HD1 PHE 25 -11.950 -11.881 4.505 173 HD2 PHE 25 HD2 PHE 25 -10.157 -10.614 0.874 174 HE1 PHE 25 HE1 PHE 25 -9.779 -11.507 5.708 175 HE2 PHE 25 HE2 PHE 25 -7.986 -10.240 2.076 176 HZ PHE 25 HZ PHE 25 -7.823 -10.690 4.479 177 H ASP 26 HN ASP 26 -10.512 -14.389 0.825 178 HA ASP 26 HA ASP 26 -11.357 -15.839 3.205 179 HB2 ASP 26 2HB ASP 26 -10.635 -16.854 0.458 180 HB3 ASP 26 3HB ASP 26 -10.141 -17.821 1.833 181 HD2 ASP 26 HD2 ASP 26 -12.096 -18.794 3.088 182 H HIS 27 HN HIS 27 -9.707 -14.634 4.411 183 HA HIS 27 HA HIS 27 -7.209 -14.018 3.717 184 HB2 HIS 27 2HB HIS 27 -6.617 -14.130 6.069 185 HB3 HIS 27 3HB HIS 27 -8.226 -13.466 5.864 186 HD1 HIS 27 HD1 HIS 27 -10.269 -15.007 6.582 187 HD2 HIS 27 HD2 HIS 27 -6.470 -16.514 7.529 188 HE1 HIS 27 HE1 HIS 27 -10.645 -16.887 8.266 189 H LYS 28 HN LYS 28 -8.172 -17.217 5.154 190 HA LYS 28 HA LYS 28 -5.740 -18.434 5.086 191 HB2 LYS 28 2HB LYS 28 -8.570 -19.367 4.912 192 HB3 LYS 28 3HB LYS 28 -7.315 -20.529 4.534 193 HG2 LYS 28 2HG LYS 28 -6.175 -19.694 6.752 194 HG3 LYS 28 3HG LYS 28 -7.742 -19.005 7.127 195 HD2 LYS 28 2HD LYS 28 -7.381 -21.933 6.352 196 HD3 LYS 28 3HD LYS 28 -7.306 -21.382 8.014 197 HE2 LYS 28 2HE LYS 28 -9.597 -20.636 7.987 198 HE3 LYS 28 3HE LYS 28 -9.689 -20.717 6.239 199 HZ1 LYS 28 1HZ LYS 28 -10.037 -22.837 8.145 200 HZ2 LYS 28 2HZ LYS 28 -10.527 -22.768 6.594 201 H LYS 29 HN LYS 29 -8.119 -18.061 2.395 202 HA LYS 29 HA LYS 29 -6.659 -19.579 0.550 203 HB2 LYS 29 2HB LYS 29 -8.715 -17.382 0.188 204 HB3 LYS 29 3HB LYS 29 -8.079 -18.350 -1.126 205 HG2 LYS 29 2HG LYS 29 -9.280 -19.662 1.342 206 HG3 LYS 29 3HG LYS 29 -10.299 -19.124 0.021 207 HD2 LYS 29 2HD LYS 29 -8.785 -20.502 -1.548 208 HD3 LYS 29 3HD LYS 29 -8.053 -21.183 -0.109 209 HE2 LYS 29 2HE LYS 29 -10.048 -22.286 0.551 210 HE3 LYS 29 3HE LYS 29 -11.070 -21.222 -0.395 211 HZ1 LYS 29 1HZ LYS 29 -9.191 -23.212 -1.554 212 HZ2 LYS 29 2HZ LYS 29 -10.806 -23.400 -1.460 213 H PHE 30 HN PHE 30 -6.923 -15.969 0.918 214 HA PHE 30 HA PHE 30 -5.210 -15.136 -0.933 215 HB2 PHE 30 2HB PHE 30 -6.464 -14.048 1.211 216 HB3 PHE 30 3HB PHE 30 -4.875 -14.176 1.941 217 HD1 PHE 30 HD1 PHE 30 -2.909 -13.194 0.441 218 HD2 PHE 30 HD2 PHE 30 -6.994 -12.096 0.103 219 HE1 PHE 30 HE1 PHE 30 -2.238 -11.030 -0.639 220 HE2 PHE 30 HE2 PHE 30 -6.323 -9.932 -0.977 221 HZ PHE 30 HZ PHE 30 -3.953 -9.424 -1.335 222 H PHE 31 HN PHE 31 -4.086 -15.885 2.450 223 HA PHE 31 HA PHE 31 -1.407 -15.677 1.950 224 HB2 PHE 31 2HB PHE 31 -3.090 -17.501 3.761 225 HB3 PHE 31 3HB PHE 31 -1.347 -17.410 3.920 226 HD1 PHE 31 HD1 PHE 31 -4.361 -16.145 5.122 227 HD2 PHE 31 HD2 PHE 31 -0.421 -14.912 4.138 228 HE1 PHE 31 HE1 PHE 31 -4.603 -14.160 6.640 229 HE2 PHE 31 HE2 PHE 31 -0.663 -12.927 5.656 230 HZ PHE 31 HZ PHE 31 -2.751 -12.575 6.888 231 H LYS 32 HN LYS 32 -3.625 -18.430 1.337 232 HA LYS 32 HA LYS 32 -1.506 -20.240 0.741 233 HB2 LYS 32 2HB LYS 32 -3.831 -20.813 1.600 234 HB3 LYS 32 3HB LYS 32 -4.426 -20.489 -0.016 235 HG2 LYS 32 2HG LYS 32 -2.427 -22.135 -0.723 236 HG3 LYS 32 3HG LYS 32 -2.599 -22.700 0.927 237 HD2 LYS 32 2HD LYS 32 -5.014 -22.431 -0.904 238 HD3 LYS 32 3HD LYS 32 -4.018 -23.872 -0.926 239 HE2 LYS 32 2HE LYS 32 -5.320 -22.746 1.599 240 HE3 LYS 32 3HE LYS 32 -6.028 -24.016 0.621 241 HZ1 LYS 32 1HZ LYS 32 -4.706 -25.485 1.657 242 HZ2 LYS 32 2HZ LYS 32 -3.354 -24.704 1.195 243 H ALA 33 HN ALA 33 -3.202 -17.685 -0.950 244 HA ALA 33 HA ALA 33 -2.730 -18.699 -3.568 245 HB1 ALA 33 1HB ALA 33 -4.140 -16.555 -2.314 246 HB2 ALA 33 2HB ALA 33 -3.021 -15.837 -3.499 247 HB3 ALA 33 3HB ALA 33 -4.201 -17.065 -4.018 248 H CYS 34 HN CYS 34 -1.299 -15.909 -1.715 249 HA CYS 34 HA CYS 34 0.779 -15.529 -3.523 250 HB2 CYS 34 2HB CYS 34 1.846 -14.259 -1.602 251 HB3 CYS 34 3HB CYS 34 0.248 -13.728 -2.087 252 HG CYS 34 HG CYS 34 -0.373 -13.659 0.225 253 H GLY 35 HN GLY 35 0.158 -17.939 -1.073 254 HA2 GLY 35 1HA GLY 35 1.421 -19.936 -1.053 255 HA3 GLY 35 2HA GLY 35 2.860 -19.035 -1.487 256 H LEU 36 HN LEU 36 1.582 -16.911 0.603 257 HA LEU 36 HA LEU 36 3.350 -17.180 2.597 258 HB2 LEU 36 2HB LEU 36 0.640 -16.008 2.363 259 HB3 LEU 36 3HB LEU 36 1.249 -16.225 3.992 260 HG LEU 36 HG LEU 36 2.681 -14.700 1.797 261 HD11 LEU 36 1HD1 LEU 36 0.556 -13.637 2.525 262 HD12 LEU 36 2HD1 LEU 36 1.185 -13.597 4.190 263 HD13 LEU 36 3HD1 LEU 36 2.004 -12.674 2.907 264 HD21 LEU 36 1HD2 LEU 36 3.490 -14.104 4.516 265 HD22 LEU 36 2HD2 LEU 36 3.713 -15.829 4.136 266 HD23 LEU 36 3HD2 LEU 36 4.469 -14.587 3.110 267 H SER 37 HN SER 37 0.305 -19.018 2.177 268 HA SER 37 HA SER 37 0.401 -20.178 4.725 269 HB2 SER 37 2HB SER 37 -1.508 -21.320 4.069 270 HB3 SER 37 3HB SER 37 -1.535 -20.003 2.913 271 HG SER 37 HG SER 37 -0.116 -21.671 1.597 272 H GLY 38 HN GLY 38 2.002 -21.544 5.424 273 HA2 GLY 38 1HA GLY 38 2.966 -23.698 5.319 274 HA3 GLY 38 2HA GLY 38 2.913 -23.642 3.569 275 H LYS 39 HN LYS 39 3.828 -20.652 3.777 276 HA LYS 39 HA LYS 39 6.492 -21.074 3.217 277 HB2 LYS 39 2HB LYS 39 4.779 -18.716 3.844 278 HB3 LYS 39 3HB LYS 39 6.513 -18.487 3.942 279 HG2 LYS 39 2HG LYS 39 4.993 -19.588 1.531 280 HG3 LYS 39 3HG LYS 39 5.681 -17.982 1.660 281 HD2 LYS 39 2HD LYS 39 7.914 -19.420 2.221 282 HD3 LYS 39 3HD LYS 39 7.068 -20.620 1.263 283 HE2 LYS 39 2HE LYS 39 6.685 -18.523 -0.385 284 HE3 LYS 39 3HE LYS 39 8.112 -17.914 0.430 285 HZ1 LYS 39 1HZ LYS 39 9.395 -19.658 -0.384 286 HZ2 LYS 39 2HZ LYS 39 8.140 -20.673 -0.597 287 H SER 40 HN SER 40 8.113 -19.421 4.700 288 HA SER 40 HA SER 40 8.406 -21.033 7.042 289 HB2 SER 40 2HB SER 40 10.093 -18.773 5.882 290 HB3 SER 40 3HB SER 40 10.537 -19.680 7.314 291 HG SER 40 HG SER 40 10.924 -21.496 6.121 292 H THR 41 HN THR 41 8.231 -20.313 9.212 293 HA THR 41 HA THR 41 6.437 -18.189 9.675 294 HB THR 41 HB THR 41 8.221 -19.960 11.407 295 HG1 THR 41 HG1 THR 41 5.894 -20.619 11.902 296 HG21 THR 41 1HG2 THR 41 6.189 -18.991 13.040 297 HG22 THR 41 2HG2 THR 41 7.877 -18.430 13.097 298 HG23 THR 41 3HG2 THR 41 6.671 -17.528 12.148 299 H ASP 42 HN ASP 42 9.754 -18.151 8.896 300 HA ASP 42 HA ASP 42 10.468 -15.985 10.555 301 HB2 ASP 42 2HB ASP 42 12.082 -17.624 9.516 302 HB3 ASP 42 3HB ASP 42 11.712 -16.955 7.939 303 HD2 ASP 42 HD2 ASP 42 13.966 -16.495 10.498 304 H GLU 43 HN GLU 43 9.778 -16.407 6.998 305 HA GLU 43 HA GLU 43 9.954 -13.728 6.363 306 HB2 GLU 43 2HB GLU 43 9.217 -14.365 4.242 307 HB3 GLU 43 3HB GLU 43 9.811 -15.891 4.865 308 HG2 GLU 43 2HG GLU 43 7.488 -16.498 5.582 309 HG3 GLU 43 3HG GLU 43 6.896 -14.976 4.948 310 HE2 GLU 43 HE2 GLU 43 9.101 -16.823 2.504 311 H VAL 44 HN VAL 44 7.236 -15.726 7.583 312 HA VAL 44 HA VAL 44 5.118 -14.087 7.074 313 HB VAL 44 HB VAL 44 5.738 -15.779 9.501 314 HG11 VAL 44 1HG1 VAL 44 3.395 -15.761 10.037 315 HG12 VAL 44 2HG1 VAL 44 3.940 -14.072 9.906 316 HG13 VAL 44 3HG1 VAL 44 3.013 -14.813 8.580 317 HG21 VAL 44 1HG2 VAL 44 5.684 -16.817 7.148 318 HG22 VAL 44 2HG2 VAL 44 4.662 -17.559 8.403 319 HG23 VAL 44 3HG2 VAL 44 3.935 -16.488 7.182 320 H LYS 45 HN LYS 45 7.274 -14.006 10.001 321 HA LYS 45 HA LYS 45 6.152 -11.909 11.296 322 HB2 LYS 45 2HB LYS 45 9.090 -12.604 11.015 323 HB3 LYS 45 3HB LYS 45 8.446 -11.489 12.203 324 HG2 LYS 45 2HG LYS 45 7.272 -13.191 13.367 325 HG3 LYS 45 3HG LYS 45 7.259 -14.268 11.985 326 HD2 LYS 45 2HD LYS 45 9.631 -14.748 12.222 327 HD3 LYS 45 3HD LYS 45 9.840 -13.461 13.393 328 HE2 LYS 45 2HE LYS 45 8.063 -15.907 13.844 329 HE3 LYS 45 3HE LYS 45 9.712 -15.774 14.422 330 HZ1 LYS 45 1HZ LYS 45 7.849 -15.075 16.010 331 HZ2 LYS 45 2HZ LYS 45 9.107 -14.049 15.887 332 H LYS 46 HN LYS 46 8.139 -11.869 8.334 333 HA LYS 46 HA LYS 46 8.546 -9.066 8.359 334 HB2 LYS 46 2HB LYS 46 8.626 -10.840 5.918 335 HB3 LYS 46 3HB LYS 46 9.530 -9.373 6.233 336 HG2 LYS 46 2HG LYS 46 9.896 -12.104 7.523 337 HG3 LYS 46 3HG LYS 46 11.067 -11.188 6.595 338 HD2 LYS 46 2HD LYS 46 9.935 -10.244 9.269 339 HD3 LYS 46 3HD LYS 46 11.428 -11.148 9.120 340 HE2 LYS 46 2HE LYS 46 10.816 -8.359 8.074 341 HE3 LYS 46 3HE LYS 46 12.087 -8.843 9.180 342 HZ1 LYS 46 1HZ LYS 46 12.375 -8.593 6.482 343 HZ2 LYS 46 2HZ LYS 46 13.416 -9.382 7.454 344 H ALA 47 HN ALA 47 6.188 -11.278 6.734 345 HA ALA 47 HA ALA 47 4.861 -9.369 5.254 346 HB1 ALA 47 1HB ALA 47 4.429 -11.675 4.859 347 HB2 ALA 47 2HB ALA 47 3.999 -11.968 6.561 348 HB3 ALA 47 3HB ALA 47 2.910 -11.022 5.518 349 H PHE 48 HN PHE 48 4.558 -10.284 8.716 350 HA PHE 48 HA PHE 48 2.225 -8.889 9.258 351 HB2 PHE 48 2HB PHE 48 3.443 -10.546 10.735 352 HB3 PHE 48 3HB PHE 48 4.767 -9.413 10.915 353 HD1 PHE 48 HD1 PHE 48 1.333 -10.193 11.904 354 HD2 PHE 48 HD2 PHE 48 4.558 -7.473 12.362 355 HE1 PHE 48 HE1 PHE 48 0.216 -9.209 13.925 356 HE2 PHE 48 HE2 PHE 48 3.441 -6.489 14.383 357 HZ PHE 48 HZ PHE 48 1.283 -7.369 15.140 358 H ALA 49 HN ALA 49 5.495 -7.760 8.612 359 HA ALA 49 HA ALA 49 5.019 -5.198 9.868 360 HB1 ALA 49 1HB ALA 49 7.298 -6.680 8.640 361 HB2 ALA 49 2HB ALA 49 7.344 -4.905 8.510 362 HB3 ALA 49 3HB ALA 49 7.244 -5.678 10.110 363 H ILE 50 HN ILE 50 4.517 -6.800 6.810 364 HA ILE 50 HA ILE 50 4.698 -4.494 5.174 365 HB ILE 50 HB ILE 50 3.237 -7.095 4.708 366 HG12 ILE 50 2HG1 ILE 50 5.661 -7.342 5.330 367 HG13 ILE 50 3HG1 ILE 50 5.220 -7.977 3.757 368 HG21 ILE 50 1HG2 ILE 50 2.814 -4.971 3.241 369 HG22 ILE 50 2HG2 ILE 50 4.407 -5.368 2.554 370 HG23 ILE 50 3HG2 ILE 50 3.083 -6.555 2.475 371 HD11 ILE 50 1HD1 ILE 50 6.177 -5.118 3.935 372 HD12 ILE 50 2HD1 ILE 50 7.368 -6.436 4.030 373 HD13 ILE 50 3HD1 ILE 50 6.331 -6.277 2.593 374 H ILE 51 HN ILE 51 1.981 -6.251 6.795 375 HA ILE 51 HA ILE 51 0.037 -4.424 5.829 376 HB ILE 51 HB ILE 51 -0.131 -6.351 8.147 377 HG12 ILE 51 2HG1 ILE 51 -1.077 -7.023 5.383 378 HG13 ILE 51 3HG1 ILE 51 0.628 -7.186 5.753 379 HG21 ILE 51 1HG2 ILE 51 -1.907 -4.491 7.742 380 HG22 ILE 51 2HG2 ILE 51 -2.413 -5.520 6.380 381 HG23 ILE 51 3HG2 ILE 51 -2.432 -6.166 8.038 382 HD11 ILE 51 1HD1 ILE 51 0.276 -8.870 7.344 383 HD12 ILE 51 2HD1 ILE 51 -1.386 -8.335 7.690 384 HD13 ILE 51 3HD1 ILE 51 -1.029 -9.212 6.184 385 H ASP 52 HN ASP 52 1.155 -5.052 9.233 386 HA ASP 52 HA ASP 52 0.066 -2.941 10.408 387 HB2 ASP 52 2HB ASP 52 2.771 -4.260 10.788 388 HB3 ASP 52 3HB ASP 52 2.324 -2.904 11.804 389 HD2 ASP 52 HD2 ASP 52 1.228 -6.136 10.962 390 H GLN 53 HN GLN 53 0.020 -0.854 9.504 391 HA GLN 53 HA GLN 53 2.411 0.128 8.243 392 HB2 GLN 53 2HB GLN 53 -0.255 1.560 8.588 393 HB3 GLN 53 3HB GLN 53 1.014 1.953 7.446 394 HG2 GLN 53 2HG GLN 53 0.696 -0.350 6.403 395 HG3 GLN 53 3HG GLN 53 -0.679 -0.589 7.464 396 HE21 GLN 53 1HE2 GLN 53 -2.460 0.901 7.346 397 HE22 GLN 53 2HE2 GLN 53 -2.861 1.682 5.853 398 H ASP 54 HN ASP 54 1.018 0.096 11.270 399 HA ASP 54 HA ASP 54 2.333 2.642 12.135 400 HB2 ASP 54 2HB ASP 54 0.848 2.179 14.183 401 HB3 ASP 54 3HB ASP 54 0.007 2.565 12.684 402 H LYS 55 HN LYS 55 2.406 -0.931 12.455 403 HA LYS 55 HA LYS 55 3.726 -2.284 13.596 404 HB2 LYS 55 2HB LYS 55 5.790 -0.151 13.998 405 HB3 LYS 55 3HB LYS 55 5.991 -1.836 13.564 406 HG2 LYS 55 2HG LYS 55 4.725 0.245 11.722 407 HG3 LYS 55 3HG LYS 55 6.419 -0.199 11.666 408 HD2 LYS 55 2HD LYS 55 4.080 -2.125 11.261 409 HD3 LYS 55 3HD LYS 55 5.065 -1.450 9.978 410 HE2 LYS 55 2HE LYS 55 5.777 -3.547 12.019 411 HE3 LYS 55 3HE LYS 55 6.134 -3.505 10.304 412 HZ1 LYS 55 1HZ LYS 55 8.167 -3.036 11.371 413 HZ2 LYS 55 2HZ LYS 55 7.666 -1.561 10.896 414 H SER 56 HN SER 56 1.781 -0.370 14.982 415 HA SER 56 HA SER 56 2.576 0.641 17.281 416 HB2 SER 56 2HB SER 56 0.229 -1.220 17.492 417 HB3 SER 56 3HB SER 56 0.372 0.450 18.003 418 HG SER 56 HG SER 56 -0.128 1.174 15.996 419 H GLY 57 HN GLY 57 1.831 -2.884 16.775 420 HA2 GLY 57 1HA GLY 57 3.905 -4.019 18.059 421 HA3 GLY 57 2HA GLY 57 2.861 -3.567 19.392 422 H PHE 58 HN PHE 58 0.307 -3.873 17.956 423 HA PHE 58 HA PHE 58 0.335 -6.704 17.260 424 HB2 PHE 58 2HB PHE 58 -1.581 -5.338 19.241 425 HB3 PHE 58 3HB PHE 58 -1.566 -7.046 18.850 426 HD1 PHE 58 HD1 PHE 58 -0.913 -5.015 21.417 427 HD2 PHE 58 HD2 PHE 58 1.150 -7.888 19.072 428 HE1 PHE 58 HE1 PHE 58 0.666 -5.437 23.323 429 HE2 PHE 58 HE2 PHE 58 2.729 -8.310 20.978 430 HZ PHE 58 HZ PHE 58 2.468 -7.079 23.080 431 H ILE 59 HN ILE 59 -1.024 -7.181 15.568 432 HA ILE 59 HA ILE 59 -2.272 -5.030 14.229 433 HB ILE 59 HB ILE 59 -2.215 -8.012 13.839 434 HG12 ILE 59 2HG1 ILE 59 -1.010 -5.710 12.275 435 HG13 ILE 59 3HG1 ILE 59 -0.146 -6.753 13.387 436 HG21 ILE 59 1HG2 ILE 59 -4.002 -7.940 12.531 437 HG22 ILE 59 2HG2 ILE 59 -4.192 -6.196 12.832 438 HG23 ILE 59 3HG2 ILE 59 -3.172 -6.761 11.488 439 HD11 ILE 59 1HD1 ILE 59 -1.238 -7.373 10.654 440 HD12 ILE 59 2HD1 ILE 59 0.306 -7.857 11.394 441 HD13 ILE 59 3HD1 ILE 59 -1.199 -8.690 11.851 442 H GLU 60 HN GLU 60 -3.964 -3.997 15.194 443 HA GLU 60 HA GLU 60 -5.785 -5.431 16.806 444 HB2 GLU 60 2HB GLU 60 -5.822 -2.590 15.704 445 HB3 GLU 60 3HB GLU 60 -7.021 -3.206 16.823 446 HG2 GLU 60 2HG GLU 60 -5.576 -2.403 18.417 447 HG3 GLU 60 3HG GLU 60 -4.759 -3.933 18.166 448 HE2 GLU 60 HE2 GLU 60 -1.957 -2.020 17.497 449 H GLU 61 HN GLU 61 -8.289 -5.083 16.364 450 HA GLU 61 HA GLU 61 -8.882 -6.546 14.107 451 HB2 GLU 61 2HB GLU 61 -10.304 -6.408 16.151 452 HB3 GLU 61 3HB GLU 61 -10.719 -4.752 15.755 453 HG2 GLU 61 2HG GLU 61 -11.589 -5.652 13.492 454 HG3 GLU 61 3HG GLU 61 -11.416 -7.260 14.168 455 HE2 GLU 61 HE2 GLU 61 -14.607 -6.815 14.673 456 H GLU 62 HN GLU 62 -8.377 -3.103 14.566 457 HA GLU 62 HA GLU 62 -9.851 -2.361 12.250 458 HB2 GLU 62 2HB GLU 62 -7.815 -0.780 13.881 459 HB3 GLU 62 3HB GLU 62 -8.898 -0.104 12.680 460 HG2 GLU 62 2HG GLU 62 -10.867 -0.769 14.006 461 HG3 GLU 62 3HG GLU 62 -9.852 -1.611 15.160 462 HE2 GLU 62 HE2 GLU 62 -10.311 2.315 15.462 463 H GLU 63 HN GLU 63 -6.738 -3.713 12.900 464 HA GLU 63 HA GLU 63 -5.639 -2.606 10.462 465 HB2 GLU 63 2HB GLU 63 -4.501 -4.027 12.865 466 HB3 GLU 63 3HB GLU 63 -3.616 -4.116 11.355 467 HG2 GLU 63 2HG GLU 63 -3.496 -1.669 11.206 468 HG3 GLU 63 3HG GLU 63 -4.561 -1.486 12.585 469 H LEU 64 HN LEU 64 -7.071 -5.524 11.826 470 HA LEU 64 HA LEU 64 -6.003 -7.396 10.047 471 HB2 LEU 64 2HB LEU 64 -8.279 -7.226 11.933 472 HB3 LEU 64 3HB LEU 64 -8.419 -8.428 10.665 473 HG LEU 64 HG LEU 64 -6.179 -8.214 12.695 474 HD11 LEU 64 1HD1 LEU 64 -8.753 -9.509 12.748 475 HD12 LEU 64 2HD1 LEU 64 -7.451 -10.720 12.827 476 HD13 LEU 64 3HD1 LEU 64 -7.510 -9.398 14.017 477 HD21 LEU 64 1HD2 LEU 64 -4.900 -9.453 11.378 478 HD22 LEU 64 2HD2 LEU 64 -6.163 -10.705 11.303 479 HD23 LEU 64 3HD2 LEU 64 -6.143 -9.389 10.105 480 H LYS 65 HN LYS 65 -8.411 -4.858 9.684 481 HA LYS 65 HA LYS 65 -9.522 -6.050 7.303 482 HB2 LYS 65 2HB LYS 65 -11.007 -4.175 7.285 483 HB3 LYS 65 3HB LYS 65 -10.895 -4.760 8.933 484 HG2 LYS 65 2HG LYS 65 -8.910 -2.954 9.081 485 HG3 LYS 65 3HG LYS 65 -9.766 -2.230 7.734 486 HD2 LYS 65 2HD LYS 65 -10.959 -2.889 10.468 487 HD3 LYS 65 3HD LYS 65 -10.560 -1.287 9.881 488 HE2 LYS 65 2HE LYS 65 -12.606 -3.149 8.582 489 HE3 LYS 65 3HE LYS 65 -13.008 -1.829 9.662 490 HZ1 LYS 65 1HZ LYS 65 -13.088 -1.281 7.219 491 HZ2 LYS 65 2HZ LYS 65 -12.164 -0.261 8.089 492 H LEU 66 HN LEU 66 -6.705 -4.321 8.156 493 HA LEU 66 HA LEU 66 -6.531 -3.061 5.528 494 HB2 LEU 66 2HB LEU 66 -4.513 -2.803 7.734 495 HB3 LEU 66 3HB LEU 66 -4.835 -1.717 6.397 496 HG LEU 66 HG LEU 66 -6.642 -2.177 8.786 497 HD11 LEU 66 1HD1 LEU 66 -4.768 -0.943 9.527 498 HD12 LEU 66 2HD1 LEU 66 -4.748 0.063 8.059 499 HD13 LEU 66 3HD1 LEU 66 -6.061 0.247 9.247 500 HD21 LEU 66 1HD2 LEU 66 -6.965 -0.199 6.513 501 HD22 LEU 66 2HD2 LEU 66 -7.902 -1.699 6.717 502 HD23 LEU 66 3HD2 LEU 66 -8.035 -0.395 7.922 503 H PHE 67 HN PHE 67 -6.404 -6.064 6.207 504 HA PHE 67 HA PHE 67 -3.771 -6.923 5.961 505 HB2 PHE 67 2HB PHE 67 -5.592 -8.418 6.629 506 HB3 PHE 67 3HB PHE 67 -6.540 -8.002 5.215 507 HD1 PHE 67 HD1 PHE 67 -3.248 -9.542 6.077 508 HD2 PHE 67 HD2 PHE 67 -6.586 -9.496 3.458 509 HE1 PHE 67 HE1 PHE 67 -2.331 -11.545 4.873 510 HE2 PHE 67 HE2 PHE 67 -5.670 -11.499 2.254 511 HZ PHE 67 HZ PHE 67 -3.553 -12.499 2.976 512 H LEU 68 HN LEU 68 -5.773 -5.269 3.701 513 HA LEU 68 HA LEU 68 -4.292 -6.398 1.443 514 HB2 LEU 68 2HB LEU 68 -6.757 -4.652 1.467 515 HB3 LEU 68 3HB LEU 68 -5.997 -5.354 0.052 516 HG LEU 68 HG LEU 68 -7.251 -6.939 2.311 517 HD11 LEU 68 1HD1 LEU 68 -9.197 -6.371 1.387 518 HD12 LEU 68 2HD1 LEU 68 -8.409 -5.648 -0.035 519 HD13 LEU 68 3HD1 LEU 68 -8.725 -7.399 0.013 520 HD21 LEU 68 1HD2 LEU 68 -5.516 -8.235 1.298 521 HD22 LEU 68 2HD2 LEU 68 -7.077 -8.837 0.691 522 HD23 LEU 68 3HD2 LEU 68 -6.063 -7.796 -0.338 523 H GLN 69 HN GLN 69 -4.291 -3.818 3.683 524 HA GLN 69 HA GLN 69 -3.425 -1.808 1.895 525 HB2 GLN 69 2HB GLN 69 -3.303 -2.045 4.932 526 HB3 GLN 69 3HB GLN 69 -2.810 -0.609 4.057 527 HG2 GLN 69 2HG GLN 69 -5.198 -0.766 2.936 528 HG3 GLN 69 3HG GLN 69 -5.585 -1.817 4.283 529 HE21 GLN 69 1HE2 GLN 69 -6.577 0.842 3.568 530 HE22 GLN 69 2HE2 GLN 69 -6.302 1.876 4.929 531 H ASN 70 HN ASN 70 -1.989 -4.663 2.804 532 HA ASN 70 HA ASN 70 0.613 -3.650 3.346 533 HB2 ASN 70 2HB ASN 70 1.180 -6.194 2.972 534 HB3 ASN 70 3HB ASN 70 0.208 -5.757 4.364 535 HD21 ASN 70 1HD2 ASN 70 -0.176 -8.171 3.931 536 HD22 ASN 70 2HD2 ASN 70 -1.586 -8.578 3.010 537 H PHE 71 HN PHE 71 -1.199 -5.227 0.638 538 HA PHE 71 HA PHE 71 1.104 -5.107 -1.091 539 HB2 PHE 71 2HB PHE 71 -1.851 -5.750 -1.649 540 HB3 PHE 71 3HB PHE 71 -0.493 -6.222 -2.651 541 HD1 PHE 71 HD1 PHE 71 1.246 -7.811 -1.586 542 HD2 PHE 71 HD2 PHE 71 -2.640 -7.194 0.002 543 HE1 PHE 71 HE1 PHE 71 1.411 -9.982 -0.338 544 HE2 PHE 71 HE2 PHE 71 -2.475 -9.365 1.250 545 HZ PHE 71 HZ PHE 71 -0.451 -10.734 1.065 546 H LYS 72 HN LYS 72 -0.697 -2.700 0.080 547 HA LYS 72 HA LYS 72 -0.150 -0.935 -1.979 548 HB2 LYS 72 2HB LYS 72 -2.193 -2.475 -2.845 549 HB3 LYS 72 3HB LYS 72 -3.108 -1.253 -1.985 550 HG2 LYS 72 2HG LYS 72 -0.901 -0.208 -3.709 551 HG3 LYS 72 3HG LYS 72 -2.221 -0.973 -4.571 552 HD2 LYS 72 2HD LYS 72 -3.717 0.529 -2.914 553 HD3 LYS 72 3HD LYS 72 -2.260 1.500 -2.842 554 HE2 LYS 72 2HE LYS 72 -2.241 1.609 -5.363 555 HE3 LYS 72 3HE LYS 72 -3.739 0.701 -5.395 556 HZ1 LYS 72 1HZ LYS 72 -3.731 3.331 -5.345 557 HZ2 LYS 72 2HZ LYS 72 -4.918 2.495 -4.607 558 H ALA 73 HN ALA 73 -0.643 1.240 -1.357 559 HA ALA 73 HA ALA 73 -1.377 1.404 1.466 560 HB1 ALA 73 1HB ALA 73 0.619 2.601 -0.194 561 HB2 ALA 73 2HB ALA 73 -0.477 3.895 0.348 562 HB3 ALA 73 3HB ALA 73 0.333 2.855 1.544 563 H GLY 74 HN GLY 74 -3.374 0.907 -0.681 564 HA2 GLY 74 1HA GLY 74 -5.204 3.014 0.043 565 HA3 GLY 74 2HA GLY 74 -4.738 3.040 -1.646 566 H ALA 75 HN ALA 75 -4.801 -0.015 0.179 567 HA ALA 75 HA ALA 75 -6.749 -1.047 -1.666 568 HB1 ALA 75 1HB ALA 75 -4.951 -2.503 -1.142 569 HB2 ALA 75 2HB ALA 75 -5.087 -2.180 0.603 570 HB3 ALA 75 3HB ALA 75 -6.334 -3.144 -0.223 571 H ARG 76 HN ARG 76 -8.780 -2.061 -1.005 572 HA ARG 76 HA ARG 76 -10.276 -0.421 0.586 573 HB2 ARG 76 2HB ARG 76 -12.028 -2.174 0.417 574 HB3 ARG 76 3HB ARG 76 -11.220 -1.962 -1.124 575 HG2 ARG 76 2HG ARG 76 -10.160 -4.030 -1.023 576 HG3 ARG 76 3HG ARG 76 -10.032 -4.006 0.725 577 HD2 ARG 76 2HD ARG 76 -12.347 -4.638 1.010 578 HD3 ARG 76 3HD ARG 76 -12.728 -4.297 -0.666 579 HE ARG 76 HE ARG 76 -10.828 -6.223 -0.966 580 HH11 ARG 76 HH1 ARG 76 -12.364 -9.200 -0.045 581 HH21 ARG 76 1HH2 ARG 76 -13.871 -7.807 1.193 582 HH22 ARG 76 2HH2 ARG 76 -13.655 -6.089 1.166 583 H ALA 77 HN ALA 77 -11.780 -1.760 2.438 584 HA ALA 77 HA ALA 77 -9.831 -2.936 4.294 585 HB1 ALA 77 1HB ALA 77 -12.057 -1.017 5.068 586 HB2 ALA 77 2HB ALA 77 -10.735 -1.627 6.092 587 HB3 ALA 77 3HB ALA 77 -10.382 -0.497 4.763 588 H LEU 78 HN LEU 78 -10.414 -5.031 4.563 589 HA LEU 78 HA LEU 78 -12.683 -6.227 3.772 590 HB2 LEU 78 2HB LEU 78 -10.964 -6.850 6.173 591 HB3 LEU 78 3HB LEU 78 -12.204 -7.926 5.557 592 HG LEU 78 HG LEU 78 -10.407 -8.833 4.512 593 HD11 LEU 78 1HD1 LEU 78 -10.289 -8.195 2.198 594 HD12 LEU 78 2HD1 LEU 78 -11.966 -8.001 2.761 595 HD13 LEU 78 3HD1 LEU 78 -10.923 -6.572 2.563 596 HD21 LEU 78 1HD2 LEU 78 -8.946 -6.940 5.570 597 HD22 LEU 78 2HD2 LEU 78 -8.330 -7.886 4.194 598 HD23 LEU 78 3HD2 LEU 78 -8.990 -6.254 3.928 599 H SER 79 HN SER 79 -14.777 -6.585 4.506 600 HA SER 79 HA SER 79 -15.808 -4.590 6.167 601 HB2 SER 79 2HB SER 79 -16.986 -5.873 4.274 602 HB3 SER 79 3HB SER 79 -17.181 -7.199 5.403 603 HG SER 79 HG SER 79 -18.021 -4.586 6.213 604 H ASP 80 HN ASP 80 -17.187 -5.076 8.181 605 HA ASP 80 HA ASP 80 -15.666 -6.041 10.169 606 HB2 ASP 80 2HB ASP 80 -18.086 -6.556 11.236 607 HB3 ASP 80 3HB ASP 80 -17.503 -4.920 11.001 608 HD2 ASP 80 HD2 ASP 80 -20.527 -6.251 8.746 609 H ALA 81 HN ALA 81 -17.563 -7.795 7.771 610 HA ALA 81 HA ALA 81 -17.713 -10.229 9.294 611 HB1 ALA 81 1HB ALA 81 -18.171 -10.579 6.470 612 HB2 ALA 81 2HB ALA 81 -19.346 -10.626 7.806 613 HB3 ALA 81 3HB ALA 81 -18.968 -9.081 7.007 614 H GLU 82 HN GLU 82 -16.131 -9.300 6.148 615 HA GLU 82 HA GLU 82 -14.593 -11.528 5.936 616 HB2 GLU 82 2HB GLU 82 -13.993 -8.674 5.046 617 HB3 GLU 82 3HB GLU 82 -13.079 -10.070 4.509 618 HG2 GLU 82 2HG GLU 82 -14.632 -10.004 2.794 619 HG3 GLU 82 3HG GLU 82 -15.529 -11.011 3.913 620 HE2 GLU 82 HE2 GLU 82 -15.339 -7.883 2.563 621 H THR 83 HN THR 83 -14.305 -8.867 8.184 622 HA THR 83 HA THR 83 -11.524 -9.517 8.788 623 HB THR 83 HB THR 83 -13.417 -7.385 9.910 624 HG1 THR 83 HG1 THR 83 -12.521 -6.161 8.200 625 HG21 THR 83 1HG2 THR 83 -11.208 -8.008 11.185 626 HG22 THR 83 2HG2 THR 83 -10.374 -7.331 9.766 627 HG23 THR 83 3HG2 THR 83 -11.451 -6.302 10.740 628 H LYS 84 HN LYS 84 -14.788 -10.198 9.863 629 HA LYS 84 HA LYS 84 -14.120 -10.810 12.538 630 HB2 LYS 84 2HB LYS 84 -16.461 -11.116 10.739 631 HB3 LYS 84 3HB LYS 84 -16.369 -12.253 12.068 632 HG2 LYS 84 2HG LYS 84 -16.498 -10.571 13.709 633 HG3 LYS 84 3HG LYS 84 -15.845 -9.336 12.651 634 HD2 LYS 84 2HD LYS 84 -18.087 -8.712 12.641 635 HD3 LYS 84 3HD LYS 84 -18.073 -9.778 11.251 636 HE2 LYS 84 2HE LYS 84 -18.697 -11.688 12.894 637 HE3 LYS 84 3HE LYS 84 -19.007 -10.432 14.077 638 HZ1 LYS 84 1HZ LYS 84 -21.061 -10.583 13.087 639 HZ2 LYS 84 2HZ LYS 84 -20.431 -9.464 12.085 640 H ALA 85 HN ALA 85 -14.770 -12.927 9.652 641 HA ALA 85 HA ALA 85 -14.006 -15.287 10.923 642 HB1 ALA 85 1HB ALA 85 -13.648 -15.991 8.435 643 HB2 ALA 85 2HB ALA 85 -15.277 -15.503 8.960 644 HB3 ALA 85 3HB ALA 85 -14.255 -14.361 8.056 645 H PHE 86 HN PHE 86 -12.156 -12.549 9.910 646 HA PHE 86 HA PHE 86 -9.745 -14.075 9.473 647 HB2 PHE 86 2HB PHE 86 -10.707 -11.744 8.471 648 HB3 PHE 86 3HB PHE 86 -9.956 -11.065 9.902 649 HD1 PHE 86 HD1 PHE 86 -7.814 -13.566 9.506 650 HD2 PHE 86 HD2 PHE 86 -9.075 -10.156 7.319 651 HE1 PHE 86 HE1 PHE 86 -5.603 -13.511 8.319 652 HE2 PHE 86 HE2 PHE 86 -6.864 -10.100 6.132 653 HZ PHE 86 HZ PHE 86 -5.155 -11.778 6.646 654 H LEU 87 HN LEU 87 -11.258 -11.993 11.980 655 HA LEU 87 HA LEU 87 -8.958 -11.795 13.589 656 HB2 LEU 87 2HB LEU 87 -10.836 -10.249 13.698 657 HB3 LEU 87 3HB LEU 87 -11.892 -11.531 14.257 658 HG LEU 87 HG LEU 87 -10.464 -11.753 16.302 659 HD11 LEU 87 1HD1 LEU 87 -8.374 -10.868 15.471 660 HD12 LEU 87 2HD1 LEU 87 -9.117 -9.272 15.201 661 HD13 LEU 87 3HD1 LEU 87 -8.926 -9.896 16.857 662 HD21 LEU 87 1HD2 LEU 87 -12.171 -9.457 15.592 663 HD22 LEU 87 2HD2 LEU 87 -12.267 -10.591 16.961 664 HD23 LEU 87 3HD2 LEU 87 -11.139 -9.215 17.021 665 H LYS 88 HN LYS 88 -11.975 -13.761 14.117 666 HA LYS 88 HA LYS 88 -10.888 -15.311 16.136 667 HB2 LYS 88 2HB LYS 88 -13.243 -15.470 14.320 668 HB3 LYS 88 3HB LYS 88 -12.768 -16.954 15.122 669 HG2 LYS 88 2HG LYS 88 -12.658 -15.486 17.302 670 HG3 LYS 88 3HG LYS 88 -13.591 -14.317 16.388 671 HD2 LYS 88 2HD LYS 88 -14.470 -17.224 16.570 672 HD3 LYS 88 3HD LYS 88 -14.883 -16.076 17.828 673 HE2 LYS 88 2HE LYS 88 -15.519 -15.648 14.870 674 HE3 LYS 88 3HE LYS 88 -16.652 -16.333 16.019 675 HZ1 LYS 88 1HZ LYS 88 -17.046 -14.299 16.901 676 HZ2 LYS 88 2HZ LYS 88 -15.480 -13.850 16.912 677 H ALA 89 HN ALA 89 -10.241 -15.273 12.723 678 HA ALA 89 HA ALA 89 -9.559 -17.972 12.371 679 HB1 ALA 89 1HB ALA 89 -7.953 -16.409 10.666 680 HB2 ALA 89 2HB ALA 89 -9.547 -17.107 10.294 681 HB3 ALA 89 3HB ALA 89 -9.428 -15.447 10.924 682 H GLY 90 HN GLY 90 -7.512 -15.042 13.049 683 HA2 GLY 90 1HA GLY 90 -5.280 -16.803 13.740 684 HA3 GLY 90 2HA GLY 90 -5.236 -15.066 13.507 685 H ASP 91 HN ASP 91 -6.930 -13.880 15.160 686 HA ASP 91 HA ASP 91 -5.801 -13.894 17.566 687 HB2 ASP 91 2HB ASP 91 -7.843 -12.528 16.461 688 HB3 ASP 91 3HB ASP 91 -8.802 -13.589 17.474 689 HD2 ASP 91 HD2 ASP 91 -6.953 -10.741 17.550 690 H SER 92 HN SER 92 -5.682 -15.392 19.250 691 HA SER 92 HA SER 92 -7.328 -17.722 19.061 692 HB2 SER 92 2HB SER 92 -5.908 -18.148 21.322 693 HB3 SER 92 3HB SER 92 -5.250 -18.435 19.724 694 HG SER 92 HG SER 92 -4.106 -16.946 21.466 695 H ASP 93 HN ASP 93 -6.622 -15.220 21.473 696 HA ASP 93 HA ASP 93 -8.934 -15.985 23.141 697 HB2 ASP 93 2HB ASP 93 -8.008 -14.228 24.608 698 HB3 ASP 93 3HB ASP 93 -6.731 -15.319 24.076 699 H GLY 94 HN GLY 94 -8.776 -14.370 20.218 700 HA2 GLY 94 1HA GLY 94 -9.842 -12.582 19.306 701 HA3 GLY 94 2HA GLY 94 -11.214 -13.294 20.132 702 H ASP 95 HN ASP 95 -8.269 -11.498 21.296 703 HA ASP 95 HA ASP 95 -9.897 -10.091 23.150 704 HB2 ASP 95 2HB ASP 95 -7.669 -8.868 23.590 705 HB3 ASP 95 3HB ASP 95 -7.697 -10.590 23.911 706 HD2 ASP 95 HD2 ASP 95 -5.117 -9.933 23.442 707 H GLY 96 HN GLY 96 -8.675 -9.690 19.877 708 HA2 GLY 96 1HA GLY 96 -9.877 -7.976 18.595 709 HA3 GLY 96 2HA GLY 96 -9.515 -6.851 19.889 710 H LYS 97 HN LYS 97 -6.875 -8.938 19.693 711 HA LYS 97 HA LYS 97 -5.561 -7.306 17.645 712 HB2 LYS 97 2HB LYS 97 -4.124 -8.040 20.185 713 HB3 LYS 97 3HB LYS 97 -3.729 -6.806 19.005 714 HG2 LYS 97 2HG LYS 97 -5.676 -5.457 19.686 715 HG3 LYS 97 3HG LYS 97 -6.228 -6.727 20.760 716 HD2 LYS 97 2HD LYS 97 -3.486 -5.436 21.072 717 HD3 LYS 97 3HD LYS 97 -4.916 -4.763 21.828 718 HE2 LYS 97 2HE LYS 97 -4.216 -7.694 22.214 719 HE3 LYS 97 3HE LYS 97 -3.436 -6.463 23.188 720 HZ1 LYS 97 1HZ LYS 97 -5.266 -6.580 24.472 721 HZ2 LYS 97 2HZ LYS 97 -6.101 -5.820 23.298 722 H ILE 98 HN ILE 98 -3.763 -8.369 16.580 723 HA ILE 98 HA ILE 98 -3.674 -11.256 17.084 724 HB ILE 98 HB ILE 98 -4.312 -9.808 14.553 725 HG12 ILE 98 2HG1 ILE 98 -5.352 -12.204 16.053 726 HG13 ILE 98 3HG1 ILE 98 -6.200 -10.746 15.576 727 HG21 ILE 98 1HG2 ILE 98 -2.886 -12.480 14.675 728 HG22 ILE 98 2HG2 ILE 98 -3.636 -11.767 13.227 729 HG23 ILE 98 3HG2 ILE 98 -2.247 -10.963 13.997 730 HD11 ILE 98 1HD1 ILE 98 -5.383 -13.106 13.867 731 HD12 ILE 98 2HD1 ILE 98 -6.968 -12.306 13.992 732 HD13 ILE 98 3HD1 ILE 98 -5.638 -11.513 13.114 733 H GLY 99 HN GLY 99 -1.665 -11.506 17.942 734 HA2 GLY 99 1HA GLY 99 0.512 -9.795 17.309 735 HA3 GLY 99 2HA GLY 99 0.561 -11.290 18.222 736 H ILE 100 HN ILE 100 2.673 -11.557 17.008 737 HA ILE 100 HA ILE 100 2.408 -12.164 14.201 738 HB ILE 100 HB ILE 100 4.355 -10.988 15.465 739 HG12 ILE 100 2HG1 ILE 100 4.312 -11.398 13.067 740 HG13 ILE 100 3HG1 ILE 100 5.910 -11.699 13.718 741 HG21 ILE 100 1HG2 ILE 100 6.192 -12.529 16.056 742 HG22 ILE 100 2HG2 ILE 100 4.777 -12.702 17.123 743 HG23 ILE 100 3HG2 ILE 100 5.082 -13.905 15.847 744 HD11 ILE 100 1HD1 ILE 100 3.813 -13.773 12.951 745 HD12 ILE 100 2HD1 ILE 100 5.415 -13.523 12.217 746 HD13 ILE 100 3HD1 ILE 100 5.285 -14.176 13.868 747 H ASP 101 HN ASP 101 3.265 -13.914 17.261 748 HA ASP 101 HA ASP 101 3.648 -16.365 16.221 749 HB2 ASP 101 2HB ASP 101 2.376 -17.057 18.512 750 HB3 ASP 101 3HB ASP 101 4.004 -16.408 18.493 751 HD2 ASP 101 HD2 ASP 101 4.325 -14.724 19.618 752 H GLU 102 HN GLU 102 0.637 -14.525 16.656 753 HA GLU 102 HA GLU 102 -0.996 -16.841 16.213 754 HB2 GLU 102 2HB GLU 102 -1.479 -13.942 16.872 755 HB3 GLU 102 3HB GLU 102 -2.788 -14.844 16.134 756 HG2 GLU 102 2HG GLU 102 -3.032 -16.279 17.963 757 HG3 GLU 102 3HG GLU 102 -1.347 -16.155 18.428 758 H PHE 103 HN PHE 103 0.045 -13.847 14.498 759 HA PHE 103 HA PHE 103 -1.587 -14.121 12.273 760 HB2 PHE 103 2HB PHE 103 -0.300 -12.087 12.745 761 HB3 PHE 103 3HB PHE 103 1.203 -12.984 12.841 762 HD1 PHE 103 HD1 PHE 103 2.642 -12.794 11.057 763 HD2 PHE 103 HD2 PHE 103 -1.521 -12.359 10.355 764 HE1 PHE 103 HE1 PHE 103 3.102 -12.280 8.644 765 HE2 PHE 103 HE2 PHE 103 -1.060 -11.845 7.942 766 HZ PHE 103 HZ PHE 103 1.246 -11.812 7.115 767 H ALA 104 HN ALA 104 1.464 -15.730 13.182 768 HA ALA 104 HA ALA 104 1.781 -16.829 10.525 769 HB1 ALA 104 1HB ALA 104 3.327 -17.437 13.071 770 HB2 ALA 104 2HB ALA 104 3.844 -17.718 11.391 771 HB3 ALA 104 3HB ALA 104 3.687 -16.056 12.007 772 H ALA 105 HN ALA 105 -0.203 -17.420 13.179 773 HA ALA 105 HA ALA 105 -0.022 -20.299 13.091 774 HB1 ALA 105 1HB ALA 105 -1.267 -20.224 15.013 775 HB2 ALA 105 2HB ALA 105 -0.663 -18.549 15.049 776 HB3 ALA 105 3HB ALA 105 -2.294 -18.895 14.425 777 H MET 106 HN MET 106 -2.484 -17.747 12.286 778 HA MET 106 HA MET 106 -4.367 -19.408 11.252 779 HB2 MET 106 2HB MET 106 -5.042 -17.345 9.899 780 HB3 MET 106 3HB MET 106 -4.772 -17.015 11.599 781 HG2 MET 106 2HG MET 106 -2.286 -16.484 10.831 782 HG3 MET 106 3HG MET 106 -2.998 -16.325 9.237 783 HE1 MET 106 1HE MET 106 -5.635 -15.333 9.388 784 HE2 MET 106 2HE MET 106 -6.020 -15.373 11.126 785 HE3 MET 106 3HE MET 106 -5.980 -13.819 10.259 786 H ILE 107 HN ILE 107 -1.204 -18.684 9.986 787 HA ILE 107 HA ILE 107 -1.990 -19.593 7.321 788 HB ILE 107 HB ILE 107 0.411 -18.891 6.806 789 HG12 ILE 107 2HG1 ILE 107 0.114 -17.390 9.422 790 HG13 ILE 107 3HG1 ILE 107 1.108 -18.819 9.220 791 HG21 ILE 107 1HG2 ILE 107 -1.811 -16.981 7.526 792 HG22 ILE 107 2HG2 ILE 107 -0.290 -16.432 6.783 793 HG23 ILE 107 3HG2 ILE 107 -1.331 -17.592 5.924 794 HD11 ILE 107 1HD1 ILE 107 2.082 -17.418 7.139 795 HD12 ILE 107 2HD1 ILE 107 1.510 -16.050 8.123 796 HD13 ILE 107 3HD1 ILE 107 2.703 -17.189 8.792 797 H LYS 108 HN LYS 108 0.203 -20.294 10.097 798 HA LYS 108 HA LYS 108 1.450 -22.501 8.928 799 HB2 LYS 108 2HB LYS 108 2.354 -21.339 10.864 800 HB3 LYS 108 3HB LYS 108 0.966 -21.789 11.835 801 HG2 LYS 108 2HG LYS 108 1.639 -24.012 12.037 802 HG3 LYS 108 3HG LYS 108 2.444 -24.028 10.480 803 HD2 LYS 108 2HD LYS 108 4.344 -23.947 11.775 804 HD3 LYS 108 3HD LYS 108 4.036 -22.223 11.741 805 HE2 LYS 108 2HE LYS 108 4.244 -22.556 14.042 806 HE3 LYS 108 3HE LYS 108 2.511 -22.738 13.862 807 HZ1 LYS 108 1HZ LYS 108 3.144 -25.233 13.494 808 HZ2 LYS 108 2HZ LYS 108 4.521 -24.844 14.271 809 H GLY 109 HN GLY 109 -1.777 -22.012 10.187 810 HA2 GLY 109 1HA GLY 109 -2.605 -24.591 9.316 811 HA3 GLY 109 2HA GLY 109 -2.483 -24.535 11.063 Start of MODEL 6 1 H SER 0 HN SER 0 2.028 2.259 -2.084 2 HA SER 0 HA SER 0 4.251 1.952 -0.530 3 HB2 SER 0 2HB SER 0 1.989 2.752 0.222 4 HB3 SER 0 3HB SER 0 1.399 1.103 0.146 5 HG SER 0 HG SER 0 3.217 2.297 1.995 6 H MET 1 HN MET 1 2.663 -0.369 -2.519 7 HA MET 1 HA MET 1 2.654 -2.686 -1.248 8 HB2 MET 1 2HB MET 1 3.694 -3.585 -3.545 9 HB3 MET 1 3HB MET 1 2.126 -2.801 -3.549 10 HG2 MET 1 2HG MET 1 2.971 -0.795 -4.467 11 HG3 MET 1 3HG MET 1 4.597 -1.085 -3.880 12 HE1 MET 1 1HE MET 1 5.802 -1.411 -7.345 13 HE2 MET 1 2HE MET 1 5.495 -0.345 -5.953 14 HE3 MET 1 3HE MET 1 6.480 -1.814 -5.750 15 H ALA 2 HN ALA 2 4.104 -3.189 0.394 16 HA ALA 2 HA ALA 2 6.937 -2.863 -0.103 17 HB1 ALA 2 1HB ALA 2 7.145 -2.948 2.180 18 HB2 ALA 2 2HB ALA 2 5.425 -2.495 2.102 19 HB3 ALA 2 3HB ALA 2 5.887 -4.195 2.357 20 H PHE 3 HN PHE 3 4.418 -5.337 -0.169 21 HA PHE 3 HA PHE 3 6.156 -7.550 0.100 22 HB2 PHE 3 2HB PHE 3 3.327 -6.901 -0.773 23 HB3 PHE 3 3HB PHE 3 3.951 -8.459 -1.278 24 HD1 PHE 3 HD1 PHE 3 4.964 -9.952 0.603 25 HD2 PHE 3 HD2 PHE 3 2.361 -6.680 1.327 26 HE1 PHE 3 HE1 PHE 3 4.380 -10.914 2.846 27 HE2 PHE 3 HE2 PHE 3 1.777 -7.642 3.571 28 HZ PHE 3 HZ PHE 3 2.793 -9.747 4.304 29 H ALA 4 HN ALA 4 5.940 -5.215 -2.324 30 HA ALA 4 HA ALA 4 5.976 -6.746 -4.657 31 HB1 ALA 4 1HB ALA 4 7.126 -4.672 -5.581 32 HB2 ALA 4 2HB ALA 4 5.576 -4.382 -4.754 33 HB3 ALA 4 3HB ALA 4 7.109 -4.023 -3.923 34 H SER 5 HN SER 5 8.223 -6.522 -2.048 35 HA SER 5 HA SER 5 10.359 -7.440 -3.800 36 HB2 SER 5 2HB SER 5 10.318 -6.061 -1.109 37 HB3 SER 5 3HB SER 5 11.709 -7.032 -1.549 38 HG SER 5 HG SER 5 12.203 -4.991 -2.291 39 H VAL 6 HN VAL 6 8.409 -8.154 -0.871 40 HA VAL 6 HA VAL 6 9.808 -10.457 -0.097 41 HB VAL 6 HB VAL 6 6.921 -9.654 0.319 42 HG11 VAL 6 1HG1 VAL 6 6.832 -11.201 2.125 43 HG12 VAL 6 2HG1 VAL 6 7.503 -12.091 0.738 44 HG13 VAL 6 3HG1 VAL 6 8.581 -11.521 2.035 45 HG21 VAL 6 1HG2 VAL 6 7.970 -9.025 2.640 46 HG22 VAL 6 2HG2 VAL 6 9.487 -8.935 1.713 47 HG23 VAL 6 3HG2 VAL 6 8.107 -7.903 1.265 48 H LEU 7 HN LEU 7 6.612 -10.164 -1.816 49 HA LEU 7 HA LEU 7 7.241 -12.756 -3.049 50 HB2 LEU 7 2HB LEU 7 4.521 -11.567 -2.493 51 HB3 LEU 7 3HB LEU 7 4.855 -13.143 -3.182 52 HG LEU 7 HG LEU 7 5.962 -12.496 -0.472 53 HD11 LEU 7 1HD1 LEU 7 3.157 -12.380 -1.111 54 HD12 LEU 7 2HD1 LEU 7 3.484 -13.763 -0.039 55 HD13 LEU 7 3HD1 LEU 7 3.979 -12.125 0.448 56 HD21 LEU 7 1HD2 LEU 7 5.078 -15.034 -0.345 57 HD22 LEU 7 2HD2 LEU 7 5.362 -14.903 -2.098 58 HD23 LEU 7 3HD2 LEU 7 6.688 -14.580 -0.955 59 H LYS 8 HN LYS 8 5.551 -12.850 -5.156 60 HA LYS 8 HA LYS 8 6.686 -10.827 -6.864 61 HB2 LYS 8 2HB LYS 8 4.826 -13.110 -7.580 62 HB3 LYS 8 3HB LYS 8 5.822 -12.171 -8.674 63 HG2 LYS 8 2HG LYS 8 7.072 -13.692 -6.357 64 HG3 LYS 8 3HG LYS 8 6.703 -14.505 -7.865 65 HD2 LYS 8 2HD LYS 8 8.237 -11.902 -7.970 66 HD3 LYS 8 3HD LYS 8 9.084 -13.351 -7.467 67 HE2 LYS 8 2HE LYS 8 9.346 -13.127 -9.879 68 HE3 LYS 8 3HE LYS 8 8.305 -14.503 -9.575 69 HZ1 LYS 8 1HZ LYS 8 7.665 -12.048 -10.906 70 HZ2 LYS 8 2HZ LYS 8 6.865 -13.466 -10.945 71 H ASP 9 HN ASP 9 5.750 -8.897 -7.235 72 HA ASP 9 HA ASP 9 3.314 -8.225 -6.168 73 HB2 ASP 9 2HB ASP 9 4.838 -6.468 -6.712 74 HB3 ASP 9 3HB ASP 9 5.054 -7.040 -8.354 75 HD2 ASP 9 HD2 ASP 9 4.094 -5.067 -9.523 76 H ALA 10 HN ALA 10 4.181 -9.963 -9.076 77 HA ALA 10 HA ALA 10 1.742 -9.319 -10.483 78 HB1 ALA 10 1HB ALA 10 3.216 -11.566 -11.555 79 HB2 ALA 10 2HB ALA 10 2.981 -9.944 -12.249 80 HB3 ALA 10 3HB ALA 10 4.341 -10.250 -11.141 81 H GLU 11 HN GLU 11 2.909 -11.586 -8.099 82 HA GLU 11 HA GLU 11 0.920 -13.538 -8.793 83 HB2 GLU 11 2HB GLU 11 3.071 -13.375 -6.653 84 HB3 GLU 11 3HB GLU 11 1.866 -14.648 -6.638 85 HG2 GLU 11 2HG GLU 11 2.543 -15.372 -8.905 86 HG3 GLU 11 3HG GLU 11 3.674 -14.038 -9.024 87 HE2 GLU 11 HE2 GLU 11 4.037 -15.099 -5.848 88 H VAL 12 HN VAL 12 1.785 -11.749 -5.737 89 HA VAL 12 HA VAL 12 -0.406 -12.243 -4.275 90 HB VAL 12 HB VAL 12 0.044 -10.226 -3.099 91 HG11 VAL 12 1HG1 VAL 12 1.977 -12.113 -3.673 92 HG12 VAL 12 2HG1 VAL 12 2.820 -10.577 -3.987 93 HG13 VAL 12 3HG1 VAL 12 2.076 -10.875 -2.398 94 HG21 VAL 12 1HG2 VAL 12 0.028 -8.788 -5.212 95 HG22 VAL 12 2HG2 VAL 12 1.188 -8.334 -3.941 96 HG23 VAL 12 3HG2 VAL 12 1.748 -9.211 -5.385 97 H THR 13 HN THR 13 -0.168 -10.117 -7.131 98 HA THR 13 HA THR 13 -2.421 -8.610 -6.922 99 HB THR 13 HB THR 13 -0.526 -9.044 -8.816 100 HG1 THR 13 HG1 THR 13 -1.761 -7.418 -9.780 101 HG21 THR 13 1HG2 THR 13 -1.505 -11.146 -9.699 102 HG22 THR 13 2HG2 THR 13 -3.093 -10.357 -9.854 103 HG23 THR 13 3HG2 THR 13 -1.736 -9.836 -10.882 104 H ALA 14 HN ALA 14 -2.261 -12.020 -8.132 105 HA ALA 14 HA ALA 14 -4.963 -12.262 -8.681 106 HB1 ALA 14 1HB ALA 14 -2.625 -13.893 -8.601 107 HB2 ALA 14 2HB ALA 14 -3.886 -14.736 -7.668 108 HB3 ALA 14 3HB ALA 14 -4.195 -14.261 -9.356 109 H ALA 15 HN ALA 15 -3.144 -12.421 -5.612 110 HA ALA 15 HA ALA 15 -5.317 -13.512 -4.131 111 HB1 ALA 15 1HB ALA 15 -3.060 -11.921 -2.923 112 HB2 ALA 15 2HB ALA 15 -3.851 -13.398 -2.323 113 HB3 ALA 15 3HB ALA 15 -2.717 -13.489 -3.692 114 H LEU 16 HN LEU 16 -4.438 -10.357 -5.359 115 HA LEU 16 HA LEU 16 -6.083 -8.993 -3.400 116 HB2 LEU 16 2HB LEU 16 -4.125 -8.222 -5.498 117 HB3 LEU 16 3HB LEU 16 -5.392 -7.071 -5.127 118 HG LEU 16 HG LEU 16 -3.739 -8.268 -2.915 119 HD11 LEU 16 1HD1 LEU 16 -2.653 -6.769 -5.062 120 HD12 LEU 16 2HD1 LEU 16 -2.715 -5.695 -3.643 121 HD13 LEU 16 3HD1 LEU 16 -1.869 -7.258 -3.540 122 HD21 LEU 16 1HD2 LEU 16 -4.551 -6.592 -1.600 123 HD22 LEU 16 2HD2 LEU 16 -4.727 -5.453 -2.957 124 HD23 LEU 16 3HD2 LEU 16 -5.914 -6.760 -2.732 125 H ASP 17 HN ASP 17 -6.200 -10.272 -6.702 126 HA ASP 17 HA ASP 17 -8.598 -8.812 -7.267 127 HB2 ASP 17 2HB ASP 17 -6.710 -9.565 -8.929 128 HB3 ASP 17 3HB ASP 17 -7.476 -11.140 -8.871 129 HD2 ASP 17 HD2 ASP 17 -7.656 -8.789 -11.224 130 H GLY 18 HN GLY 18 -7.522 -11.909 -5.968 131 HA2 GLY 18 1HA GLY 18 -9.874 -13.422 -6.561 132 HA3 GLY 18 2HA GLY 18 -8.585 -13.836 -5.447 133 H CYS 19 HN CYS 19 -9.165 -10.854 -4.350 134 HA CYS 19 HA CYS 19 -11.271 -11.797 -2.549 135 HB2 CYS 19 2HB CYS 19 -10.340 -10.024 -0.984 136 HB3 CYS 19 3HB CYS 19 -9.323 -11.423 -1.266 137 HG CYS 19 HG CYS 19 -7.516 -9.812 -1.452 138 H LYS 20 HN LYS 20 -10.373 -9.582 -5.074 139 HA LYS 20 HA LYS 20 -11.631 -7.269 -4.586 140 HB2 LYS 20 2HB LYS 20 -11.192 -8.918 -7.024 141 HB3 LYS 20 3HB LYS 20 -12.350 -7.611 -7.164 142 HG2 LYS 20 2HG LYS 20 -9.601 -7.171 -5.931 143 HG3 LYS 20 3HG LYS 20 -9.852 -7.072 -7.663 144 HD2 LYS 20 2HD LYS 20 -11.178 -5.361 -5.514 145 HD3 LYS 20 3HD LYS 20 -10.047 -4.825 -6.741 146 HE2 LYS 20 2HE LYS 20 -11.835 -5.736 -8.455 147 HE3 LYS 20 3HE LYS 20 -12.938 -5.685 -7.094 148 HZ1 LYS 20 1HZ LYS 20 -11.727 -3.256 -6.976 149 HZ2 LYS 20 2HZ LYS 20 -11.828 -3.486 -8.585 150 H ALA 21 HN ALA 21 -13.129 -10.454 -4.997 151 HA ALA 21 HA ALA 21 -15.766 -9.376 -5.319 152 HB1 ALA 21 1HB ALA 21 -14.523 -12.109 -4.995 153 HB2 ALA 21 2HB ALA 21 -16.284 -11.902 -4.838 154 HB3 ALA 21 3HB ALA 21 -15.467 -11.454 -6.354 155 H ALA 22 HN ALA 22 -16.721 -8.301 -3.659 156 HA ALA 22 HA ALA 22 -15.938 -8.381 -1.034 157 HB1 ALA 22 1HB ALA 22 -17.943 -7.175 -0.596 158 HB2 ALA 22 2HB ALA 22 -17.503 -6.764 -2.271 159 HB3 ALA 22 3HB ALA 22 -18.797 -7.945 -1.955 160 H GLY 23 HN GLY 23 -16.685 -9.479 0.852 161 HA2 GLY 23 1HA GLY 23 -17.297 -11.306 2.008 162 HA3 GLY 23 2HA GLY 23 -18.722 -11.336 0.989 163 H SER 24 HN SER 24 -15.637 -11.550 -0.667 164 HA SER 24 HA SER 24 -16.032 -14.434 -0.870 165 HB2 SER 24 2HB SER 24 -16.590 -12.873 -2.931 166 HB3 SER 24 3HB SER 24 -14.850 -12.796 -3.125 167 HG SER 24 HG SER 24 -14.753 -14.919 -3.667 168 H PHE 25 HN PHE 25 -14.226 -12.370 0.717 169 HA PHE 25 HA PHE 25 -11.613 -13.190 -0.236 170 HB2 PHE 25 2HB PHE 25 -11.891 -10.860 0.449 171 HB3 PHE 25 3HB PHE 25 -12.784 -11.317 1.886 172 HD1 PHE 25 HD1 PHE 25 -9.470 -12.371 0.511 173 HD2 PHE 25 HD2 PHE 25 -11.616 -10.704 3.770 174 HE1 PHE 25 HE1 PHE 25 -7.353 -12.277 1.856 175 HE2 PHE 25 HE2 PHE 25 -9.499 -10.610 5.116 176 HZ PHE 25 HZ PHE 25 -7.393 -11.398 4.143 177 H ASP 26 HN ASP 26 -10.718 -15.067 0.465 178 HA ASP 26 HA ASP 26 -11.545 -15.963 3.112 179 HB2 ASP 26 2HB ASP 26 -12.108 -17.434 1.106 180 HB3 ASP 26 3HB ASP 26 -10.389 -17.622 0.824 181 HD2 ASP 26 HD2 ASP 26 -12.267 -20.150 2.607 182 H HIS 27 HN HIS 27 -9.854 -14.974 4.351 183 HA HIS 27 HA HIS 27 -7.323 -14.472 3.688 184 HB2 HIS 27 2HB HIS 27 -6.925 -14.174 5.913 185 HB3 HIS 27 3HB HIS 27 -8.677 -14.207 5.925 186 HD1 HIS 27 HD1 HIS 27 -9.845 -16.357 6.912 187 HD2 HIS 27 HD2 HIS 27 -5.661 -16.323 7.217 188 HE1 HIS 27 HE1 HIS 27 -9.233 -18.204 8.562 189 H LYS 28 HN LYS 28 -8.572 -17.658 4.873 190 HA LYS 28 HA LYS 28 -6.199 -19.014 4.975 191 HB2 LYS 28 2HB LYS 28 -9.055 -19.762 4.530 192 HB3 LYS 28 3HB LYS 28 -7.842 -20.980 4.194 193 HG2 LYS 28 2HG LYS 28 -6.859 -20.197 6.560 194 HG3 LYS 28 3HG LYS 28 -8.496 -19.625 6.815 195 HD2 LYS 28 2HD LYS 28 -7.611 -22.479 6.209 196 HD3 LYS 28 3HD LYS 28 -8.372 -21.892 7.675 197 HE2 LYS 28 2HE LYS 28 -10.349 -21.180 6.063 198 HE3 LYS 28 3HE LYS 28 -9.617 -22.308 4.939 199 HZ1 LYS 28 1HZ LYS 28 -9.949 -24.085 6.455 200 HZ2 LYS 28 2HZ LYS 28 -10.263 -23.107 7.718 201 H LYS 29 HN LYS 29 -8.366 -18.481 2.124 202 HA LYS 29 HA LYS 29 -6.733 -19.936 0.354 203 HB2 LYS 29 2HB LYS 29 -8.723 -17.735 -0.273 204 HB3 LYS 29 3HB LYS 29 -8.118 -18.947 -1.384 205 HG2 LYS 29 2HG LYS 29 -9.481 -19.784 1.198 206 HG3 LYS 29 3HG LYS 29 -10.438 -19.338 -0.201 207 HD2 LYS 29 2HD LYS 29 -8.905 -21.031 -1.512 208 HD3 LYS 29 3HD LYS 29 -8.472 -21.637 0.074 209 HE2 LYS 29 2HE LYS 29 -10.724 -22.294 0.572 210 HE3 LYS 29 3HE LYS 29 -11.391 -21.302 -0.709 211 HZ1 LYS 29 1HZ LYS 29 -9.513 -23.423 -1.473 212 HZ2 LYS 29 2HZ LYS 29 -11.026 -23.866 -1.062 213 H PHE 30 HN PHE 30 -7.154 -16.353 0.826 214 HA PHE 30 HA PHE 30 -5.383 -15.381 -0.892 215 HB2 PHE 30 2HB PHE 30 -6.774 -14.276 1.024 216 HB3 PHE 30 3HB PHE 30 -5.445 -14.668 2.097 217 HD1 PHE 30 HD1 PHE 30 -6.764 -12.264 -0.145 218 HD2 PHE 30 HD2 PHE 30 -3.115 -13.735 1.444 219 HE1 PHE 30 HE1 PHE 30 -5.625 -10.116 -0.772 220 HE2 PHE 30 HE2 PHE 30 -1.976 -11.588 0.818 221 HZ PHE 30 HZ PHE 30 -3.245 -9.804 -0.283 222 H PHE 31 HN PHE 31 -4.394 -16.261 2.501 223 HA PHE 31 HA PHE 31 -1.695 -15.955 2.108 224 HB2 PHE 31 2HB PHE 31 -3.497 -17.696 3.856 225 HB3 PHE 31 3HB PHE 31 -1.759 -17.863 4.003 226 HD1 PHE 31 HD1 PHE 31 -0.571 -15.374 4.098 227 HD2 PHE 31 HD2 PHE 31 -4.463 -16.374 5.463 228 HE1 PHE 31 HE1 PHE 31 -0.517 -13.425 5.678 229 HE2 PHE 31 HE2 PHE 31 -4.409 -14.425 7.044 230 HZ PHE 31 HZ PHE 31 -2.437 -12.974 7.132 231 H LYS 32 HN LYS 32 -3.834 -18.723 1.334 232 HA LYS 32 HA LYS 32 -1.660 -20.491 0.807 233 HB2 LYS 32 2HB LYS 32 -4.140 -20.985 1.494 234 HB3 LYS 32 3HB LYS 32 -4.459 -20.877 -0.225 235 HG2 LYS 32 2HG LYS 32 -2.354 -22.503 -0.419 236 HG3 LYS 32 3HG LYS 32 -2.717 -22.859 1.258 237 HD2 LYS 32 2HD LYS 32 -4.858 -23.753 0.747 238 HD3 LYS 32 3HD LYS 32 -4.944 -22.928 -0.797 239 HE2 LYS 32 2HE LYS 32 -4.490 -25.216 -1.339 240 HE3 LYS 32 3HE LYS 32 -2.963 -24.385 -1.561 241 HZ1 LYS 32 1HZ LYS 32 -2.123 -25.290 0.414 242 HZ2 LYS 32 2HZ LYS 32 -3.586 -25.629 1.043 243 H ALA 33 HN ALA 33 -3.220 -17.876 -0.873 244 HA ALA 33 HA ALA 33 -2.645 -18.844 -3.501 245 HB1 ALA 33 1HB ALA 33 -4.021 -17.156 -4.071 246 HB2 ALA 33 2HB ALA 33 -4.240 -16.851 -2.331 247 HB3 ALA 33 3HB ALA 33 -2.997 -15.959 -3.242 248 H CYS 34 HN CYS 34 -1.356 -16.077 -1.516 249 HA CYS 34 HA CYS 34 0.799 -15.610 -3.205 250 HB2 CYS 34 2HB CYS 34 1.757 -14.395 -1.191 251 HB3 CYS 34 3HB CYS 34 0.177 -13.868 -1.735 252 HG CYS 34 HG CYS 34 -0.939 -14.153 0.326 253 H GLY 35 HN GLY 35 0.108 -18.108 -0.861 254 HA2 GLY 35 1HA GLY 35 1.371 -20.083 -0.789 255 HA3 GLY 35 2HA GLY 35 2.812 -19.194 -1.238 256 H LEU 36 HN LEU 36 1.528 -17.063 0.859 257 HA LEU 36 HA LEU 36 3.315 -17.306 2.837 258 HB2 LEU 36 2HB LEU 36 0.569 -16.195 2.653 259 HB3 LEU 36 3HB LEU 36 1.243 -16.369 4.261 260 HG LEU 36 HG LEU 36 2.696 -14.922 2.039 261 HD11 LEU 36 1HD1 LEU 36 0.316 -14.042 2.773 262 HD12 LEU 36 2HD1 LEU 36 1.232 -13.416 4.165 263 HD13 LEU 36 3HD1 LEU 36 1.680 -12.929 2.513 264 HD21 LEU 36 1HD2 LEU 36 3.635 -13.777 4.218 265 HD22 LEU 36 2HD2 LEU 36 3.122 -15.304 4.976 266 HD23 LEU 36 3HD2 LEU 36 4.291 -15.325 3.633 267 H SER 37 HN SER 37 0.454 -19.330 2.303 268 HA SER 37 HA SER 37 0.493 -20.438 4.897 269 HB2 SER 37 2HB SER 37 -1.268 -21.829 4.139 270 HB3 SER 37 3HB SER 37 -1.467 -20.354 3.213 271 HG SER 37 HG SER 37 -0.364 -22.874 2.346 272 H GLY 38 HN GLY 38 1.922 -21.940 5.685 273 HA2 GLY 38 1HA GLY 38 3.063 -23.958 5.613 274 HA3 GLY 38 2HA GLY 38 3.025 -23.941 3.861 275 H LYS 39 HN LYS 39 3.832 -20.886 4.122 276 HA LYS 39 HA LYS 39 6.507 -21.221 3.530 277 HB2 LYS 39 2HB LYS 39 4.723 -18.928 4.201 278 HB3 LYS 39 3HB LYS 39 6.450 -18.646 4.297 279 HG2 LYS 39 2HG LYS 39 4.952 -19.751 1.874 280 HG3 LYS 39 3HG LYS 39 5.599 -18.129 2.027 281 HD2 LYS 39 2HD LYS 39 7.869 -19.528 2.559 282 HD3 LYS 39 3HD LYS 39 7.050 -20.722 1.573 283 HE2 LYS 39 2HE LYS 39 6.626 -18.681 -0.073 284 HE3 LYS 39 3HE LYS 39 7.943 -17.929 0.804 285 HZ1 LYS 39 1HZ LYS 39 9.312 -19.903 0.276 286 HZ2 LYS 39 2HZ LYS 39 8.092 -20.550 -0.586 287 H SER 40 HN SER 40 8.035 -19.477 5.064 288 HA SER 40 HA SER 40 8.290 -21.092 7.445 289 HB2 SER 40 2HB SER 40 10.112 -19.339 5.823 290 HB3 SER 40 3HB SER 40 10.468 -19.485 7.533 291 HG SER 40 HG SER 40 11.510 -21.253 6.855 292 H THR 41 HN THR 41 8.144 -20.243 9.562 293 HA THR 41 HA THR 41 6.490 -18.054 9.973 294 HB THR 41 HB THR 41 8.419 -19.675 11.684 295 HG1 THR 41 HG1 THR 41 6.296 -20.407 12.396 296 HG21 THR 41 1HG2 THR 41 8.021 -17.205 12.545 297 HG22 THR 41 2HG2 THR 41 6.352 -17.757 12.821 298 HG23 THR 41 3HG2 THR 41 7.704 -18.557 13.658 299 H ASP 42 HN ASP 42 9.849 -18.139 9.123 300 HA ASP 42 HA ASP 42 10.661 -15.827 10.419 301 HB2 ASP 42 2HB ASP 42 11.553 -17.346 7.959 302 HB3 ASP 42 3HB ASP 42 12.264 -15.776 8.275 303 HD2 ASP 42 HD2 ASP 42 13.963 -16.966 11.148 304 H GLU 43 HN GLU 43 9.832 -16.371 6.900 305 HA GLU 43 HA GLU 43 9.766 -13.714 6.224 306 HB2 GLU 43 2HB GLU 43 8.912 -14.431 4.155 307 HB3 GLU 43 3HB GLU 43 9.721 -15.868 4.749 308 HG2 GLU 43 2HG GLU 43 7.552 -16.744 5.618 309 HG3 GLU 43 3HG GLU 43 6.735 -15.296 5.063 310 HE2 GLU 43 HE2 GLU 43 6.535 -15.385 2.312 311 H VAL 44 HN VAL 44 7.187 -15.876 7.505 312 HA VAL 44 HA VAL 44 4.970 -14.379 7.100 313 HB VAL 44 HB VAL 44 5.836 -16.016 9.483 314 HG11 VAL 44 1HG1 VAL 44 3.165 -14.723 8.891 315 HG12 VAL 44 2HG1 VAL 44 3.320 -16.157 9.934 316 HG13 VAL 44 3HG1 VAL 44 4.137 -14.639 10.380 317 HG21 VAL 44 1HG2 VAL 44 5.668 -17.223 7.348 318 HG22 VAL 44 2HG2 VAL 44 4.404 -17.741 8.488 319 HG23 VAL 44 3HG2 VAL 44 3.997 -16.643 7.147 320 H LYS 45 HN LYS 45 7.486 -13.934 9.652 321 HA LYS 45 HA LYS 45 6.137 -11.804 10.912 322 HB2 LYS 45 2HB LYS 45 9.093 -12.476 10.947 323 HB3 LYS 45 3HB LYS 45 8.235 -11.476 12.101 324 HG2 LYS 45 2HG LYS 45 7.158 -13.292 13.101 325 HG3 LYS 45 3HG LYS 45 7.157 -14.246 11.631 326 HD2 LYS 45 2HD LYS 45 9.421 -14.916 11.903 327 HD3 LYS 45 3HD LYS 45 9.790 -13.584 12.980 328 HE2 LYS 45 2HE LYS 45 7.704 -15.601 13.837 329 HE3 LYS 45 3HE LYS 45 9.395 -16.051 13.935 330 HZ1 LYS 45 1HZ LYS 45 9.195 -13.494 15.017 331 HZ2 LYS 45 2HZ LYS 45 7.958 -14.336 15.660 332 H LYS 46 HN LYS 46 8.684 -11.999 8.359 333 HA LYS 46 HA LYS 46 9.046 -9.223 8.169 334 HB2 LYS 46 2HB LYS 46 9.485 -11.127 5.879 335 HB3 LYS 46 3HB LYS 46 10.400 -9.700 6.321 336 HG2 LYS 46 2HG LYS 46 10.427 -12.439 7.612 337 HG3 LYS 46 3HG LYS 46 11.782 -11.477 7.055 338 HD2 LYS 46 2HD LYS 46 10.794 -9.781 8.953 339 HD3 LYS 46 3HD LYS 46 10.262 -11.306 9.634 340 HE2 LYS 46 2HE LYS 46 12.583 -12.187 9.553 341 HE3 LYS 46 3HE LYS 46 13.138 -10.713 8.783 342 HZ1 LYS 46 1HZ LYS 46 12.957 -11.144 11.494 343 HZ2 LYS 46 2HZ LYS 46 13.237 -9.708 10.779 344 H ALA 47 HN ALA 47 6.476 -11.356 7.175 345 HA ALA 47 HA ALA 47 5.540 -9.540 5.125 346 HB1 ALA 47 1HB ALA 47 3.581 -11.313 5.269 347 HB2 ALA 47 2HB ALA 47 5.135 -11.746 4.517 348 HB3 ALA 47 3HB ALA 47 4.781 -12.253 6.186 349 H PHE 48 HN PHE 48 4.792 -10.556 8.492 350 HA PHE 48 HA PHE 48 2.370 -9.175 8.692 351 HB2 PHE 48 2HB PHE 48 3.004 -10.868 10.325 352 HB3 PHE 48 3HB PHE 48 4.578 -10.141 10.578 353 HD1 PHE 48 HD1 PHE 48 1.255 -10.394 11.789 354 HD2 PHE 48 HD2 PHE 48 4.615 -7.805 11.692 355 HE1 PHE 48 HE1 PHE 48 0.365 -9.166 13.788 356 HE2 PHE 48 HE2 PHE 48 3.726 -6.576 13.692 357 HZ PHE 48 HZ PHE 48 1.612 -7.271 14.716 358 H ALA 49 HN ALA 49 5.688 -8.076 8.600 359 HA ALA 49 HA ALA 49 5.104 -5.621 10.010 360 HB1 ALA 49 1HB ALA 49 7.618 -5.940 8.449 361 HB2 ALA 49 2HB ALA 49 7.373 -5.399 10.127 362 HB3 ALA 49 3HB ALA 49 7.350 -7.136 9.739 363 H ILE 50 HN ILE 50 4.428 -6.883 6.963 364 HA ILE 50 HA ILE 50 5.044 -4.544 5.430 365 HB ILE 50 HB ILE 50 3.355 -6.964 4.784 366 HG12 ILE 50 2HG1 ILE 50 5.811 -7.336 5.402 367 HG13 ILE 50 3HG1 ILE 50 5.245 -7.992 3.879 368 HG21 ILE 50 1HG2 ILE 50 4.339 -6.002 2.415 369 HG22 ILE 50 2HG2 ILE 50 2.701 -5.711 3.049 370 HG23 ILE 50 3HG2 ILE 50 3.983 -4.503 3.307 371 HD11 ILE 50 1HD1 ILE 50 6.313 -6.292 2.598 372 HD12 ILE 50 2HD1 ILE 50 6.498 -5.227 4.012 373 HD13 ILE 50 3HD1 ILE 50 7.495 -6.694 3.867 374 H ILE 51 HN ILE 51 2.017 -6.126 6.663 375 HA ILE 51 HA ILE 51 0.327 -4.080 5.785 376 HB ILE 51 HB ILE 51 -0.162 -5.868 8.157 377 HG12 ILE 51 2HG1 ILE 51 -1.142 -7.058 5.756 378 HG13 ILE 51 3HG1 ILE 51 0.555 -6.696 5.509 379 HG21 ILE 51 1HG2 ILE 51 -2.332 -5.346 7.938 380 HG22 ILE 51 2HG2 ILE 51 -1.728 -3.930 7.044 381 HG23 ILE 51 3HG2 ILE 51 -2.269 -5.376 6.159 382 HD11 ILE 51 1HD1 ILE 51 -0.721 -8.613 7.404 383 HD12 ILE 51 2HD1 ILE 51 0.860 -8.698 6.591 384 HD13 ILE 51 3HD1 ILE 51 0.664 -7.701 8.053 385 H ASP 52 HN ASP 52 1.599 -4.770 9.124 386 HA ASP 52 HA ASP 52 0.611 -2.706 10.439 387 HB2 ASP 52 2HB ASP 52 3.502 -3.688 10.525 388 HB3 ASP 52 3HB ASP 52 2.784 -2.674 11.762 389 HD2 ASP 52 HD2 ASP 52 1.711 -6.445 11.166 390 H GLN 53 HN GLN 53 0.404 -0.610 9.578 391 HA GLN 53 HA GLN 53 2.629 0.467 8.102 392 HB2 GLN 53 2HB GLN 53 -0.030 1.821 8.707 393 HB3 GLN 53 3HB GLN 53 1.103 2.227 7.434 394 HG2 GLN 53 2HG GLN 53 0.728 -0.111 6.469 395 HG3 GLN 53 3HG GLN 53 -0.542 -0.335 7.655 396 HE21 GLN 53 1HE2 GLN 53 -2.458 -0.085 6.822 397 HE22 GLN 53 2HE2 GLN 53 -2.957 1.090 5.652 398 H ASP 54 HN ASP 54 1.441 0.408 11.239 399 HA ASP 54 HA ASP 54 2.941 2.894 11.999 400 HB2 ASP 54 2HB ASP 54 1.391 2.855 13.973 401 HB3 ASP 54 3HB ASP 54 0.538 2.994 12.437 402 H LYS 55 HN LYS 55 2.714 -0.638 12.349 403 HA LYS 55 HA LYS 55 3.919 -2.087 13.497 404 HB2 LYS 55 2HB LYS 55 5.977 -0.022 14.206 405 HB3 LYS 55 3HB LYS 55 6.191 -1.703 13.761 406 HG2 LYS 55 2HG LYS 55 5.233 0.488 11.857 407 HG3 LYS 55 3HG LYS 55 6.879 -0.109 11.940 408 HD2 LYS 55 2HD LYS 55 4.391 -1.671 11.123 409 HD3 LYS 55 3HD LYS 55 5.766 -1.264 10.114 410 HE2 LYS 55 2HE LYS 55 6.389 -3.425 10.657 411 HE3 LYS 55 3HE LYS 55 7.108 -2.611 12.032 412 HZ1 LYS 55 1HZ LYS 55 4.931 -4.448 12.015 413 HZ2 LYS 55 2HZ LYS 55 5.789 -3.907 13.289 414 H SER 56 HN SER 56 1.806 -0.456 14.784 415 HA SER 56 HA SER 56 2.390 0.502 17.213 416 HB2 SER 56 2HB SER 56 0.068 -0.667 17.843 417 HB3 SER 56 3HB SER 56 0.139 0.684 16.729 418 HG SER 56 HG SER 56 -0.049 -2.127 16.086 419 H GLY 57 HN GLY 57 2.549 -2.852 16.111 420 HA2 GLY 57 1HA GLY 57 4.117 -4.196 17.464 421 HA3 GLY 57 2HA GLY 57 3.196 -3.704 18.872 422 H PHE 58 HN PHE 58 0.725 -3.827 16.819 423 HA PHE 58 HA PHE 58 0.496 -6.683 16.510 424 HB2 PHE 58 2HB PHE 58 -1.390 -4.997 18.264 425 HB3 PHE 58 3HB PHE 58 -1.594 -6.705 17.928 426 HD1 PHE 58 HD1 PHE 58 0.655 -8.120 18.517 427 HD2 PHE 58 HD2 PHE 58 -0.539 -4.475 20.332 428 HE1 PHE 58 HE1 PHE 58 2.021 -8.683 20.546 429 HE2 PHE 58 HE2 PHE 58 0.828 -5.038 22.361 430 HZ PHE 58 HZ PHE 58 2.091 -7.136 22.444 431 H ILE 59 HN ILE 59 -1.921 -7.149 15.693 432 HA ILE 59 HA ILE 59 -2.578 -4.957 13.848 433 HB ILE 59 HB ILE 59 -2.697 -7.942 13.408 434 HG12 ILE 59 2HG1 ILE 59 -0.952 -5.803 12.153 435 HG13 ILE 59 3HG1 ILE 59 -0.427 -7.009 13.312 436 HG21 ILE 59 1HG2 ILE 59 -3.843 -7.648 11.468 437 HG22 ILE 59 2HG2 ILE 59 -4.513 -6.279 12.386 438 HG23 ILE 59 3HG2 ILE 59 -3.210 -6.006 11.204 439 HD11 ILE 59 1HD1 ILE 59 -1.501 -8.706 11.537 440 HD12 ILE 59 2HD1 ILE 59 -1.195 -7.354 10.421 441 HD13 ILE 59 3HD1 ILE 59 0.152 -8.080 11.330 442 H GLU 60 HN GLU 60 -4.107 -3.994 15.258 443 HA GLU 60 HA GLU 60 -6.071 -5.545 16.521 444 HB2 GLU 60 2HB GLU 60 -6.078 -2.563 15.874 445 HB3 GLU 60 3HB GLU 60 -7.123 -3.355 17.037 446 HG2 GLU 60 2HG GLU 60 -5.457 -2.695 18.497 447 HG3 GLU 60 3HG GLU 60 -4.764 -4.230 18.014 448 HE2 GLU 60 HE2 GLU 60 -1.958 -2.578 16.902 449 H GLU 61 HN GLU 61 -8.488 -5.295 16.106 450 HA GLU 61 HA GLU 61 -9.224 -6.303 13.774 451 HB2 GLU 61 2HB GLU 61 -10.625 -5.783 15.888 452 HB3 GLU 61 3HB GLU 61 -10.950 -4.220 15.165 453 HG2 GLU 61 2HG GLU 61 -11.731 -5.518 13.061 454 HG3 GLU 61 3HG GLU 61 -11.679 -6.962 14.053 455 HE2 GLU 61 HE2 GLU 61 -13.775 -7.273 14.202 456 H GLU 62 HN GLU 62 -8.527 -2.868 14.445 457 HA GLU 62 HA GLU 62 -9.686 -1.809 12.173 458 HB2 GLU 62 2HB GLU 62 -7.544 -0.953 14.099 459 HB3 GLU 62 3HB GLU 62 -7.670 -0.062 12.595 460 HG2 GLU 62 2HG GLU 62 -10.326 -0.515 13.747 461 HG3 GLU 62 3HG GLU 62 -9.274 0.262 14.914 462 HE2 GLU 62 HE2 GLU 62 -10.824 2.525 12.220 463 H GLU 63 HN GLU 63 -6.223 -2.746 12.790 464 HA GLU 63 HA GLU 63 -5.447 -2.255 10.160 465 HB2 GLU 63 2HB GLU 63 -4.224 -3.936 12.384 466 HB3 GLU 63 3HB GLU 63 -3.430 -3.700 10.839 467 HG2 GLU 63 2HG GLU 63 -3.682 -1.166 11.229 468 HG3 GLU 63 3HG GLU 63 -4.192 -1.547 12.861 469 H LEU 64 HN LEU 64 -6.989 -5.000 11.771 470 HA LEU 64 HA LEU 64 -6.279 -7.069 10.113 471 HB2 LEU 64 2HB LEU 64 -8.541 -6.416 11.897 472 HB3 LEU 64 3HB LEU 64 -8.862 -7.650 10.694 473 HG LEU 64 HG LEU 64 -6.726 -7.689 12.838 474 HD11 LEU 64 1HD1 LEU 64 -8.217 -8.784 14.056 475 HD12 LEU 64 2HD1 LEU 64 -9.427 -8.573 12.767 476 HD13 LEU 64 3HD1 LEU 64 -8.382 -10.014 12.781 477 HD21 LEU 64 1HD2 LEU 64 -5.485 -8.978 11.524 478 HD22 LEU 64 2HD2 LEU 64 -6.783 -10.194 11.591 479 HD23 LEU 64 3HD2 LEU 64 -6.740 -9.010 10.262 480 H LYS 65 HN LYS 65 -9.235 -4.972 9.787 481 HA LYS 65 HA LYS 65 -9.954 -5.960 7.299 482 HB2 LYS 65 2HB LYS 65 -11.397 -4.009 7.159 483 HB3 LYS 65 3HB LYS 65 -11.450 -4.697 8.769 484 HG2 LYS 65 2HG LYS 65 -10.103 -2.952 9.696 485 HG3 LYS 65 3HG LYS 65 -9.512 -2.448 8.125 486 HD2 LYS 65 2HD LYS 65 -11.113 -0.810 8.374 487 HD3 LYS 65 3HD LYS 65 -12.160 -2.042 7.699 488 HE2 LYS 65 2HE LYS 65 -13.327 -1.315 9.637 489 HE3 LYS 65 3HE LYS 65 -12.572 -2.813 10.147 490 HZ1 LYS 65 1HZ LYS 65 -11.923 -0.089 10.950 491 HZ2 LYS 65 2HZ LYS 65 -11.848 -1.461 11.823 492 H LEU 66 HN LEU 66 -7.272 -3.984 8.246 493 HA LEU 66 HA LEU 66 -6.995 -2.869 5.573 494 HB2 LEU 66 2HB LEU 66 -5.400 -2.474 8.108 495 HB3 LEU 66 3HB LEU 66 -5.062 -1.686 6.580 496 HG LEU 66 HG LEU 66 -7.344 -1.242 8.481 497 HD11 LEU 66 1HD1 LEU 66 -5.091 0.317 7.343 498 HD12 LEU 66 2HD1 LEU 66 -6.625 1.189 7.579 499 HD13 LEU 66 3HD1 LEU 66 -5.841 0.378 8.956 500 HD21 LEU 66 1HD2 LEU 66 -8.639 -1.501 6.568 501 HD22 LEU 66 2HD2 LEU 66 -8.311 0.248 6.603 502 HD23 LEU 66 3HD2 LEU 66 -7.392 -0.808 5.503 503 H PHE 67 HN PHE 67 -6.889 -5.810 6.089 504 HA PHE 67 HA PHE 67 -4.126 -6.516 5.939 505 HB2 PHE 67 2HB PHE 67 -5.873 -7.988 6.935 506 HB3 PHE 67 3HB PHE 67 -6.813 -7.931 5.457 507 HD1 PHE 67 HD1 PHE 67 -6.496 -9.541 3.789 508 HD2 PHE 67 HD2 PHE 67 -3.566 -9.106 6.828 509 HE1 PHE 67 HE1 PHE 67 -5.343 -11.617 2.975 510 HE2 PHE 67 HE2 PHE 67 -2.413 -11.181 6.014 511 HZ PHE 67 HZ PHE 67 -3.316 -12.412 4.098 512 H LEU 68 HN LEU 68 -5.955 -4.867 3.778 513 HA LEU 68 HA LEU 68 -4.774 -6.294 1.495 514 HB2 LEU 68 2HB LEU 68 -7.417 -4.905 1.815 515 HB3 LEU 68 3HB LEU 68 -6.674 -5.062 0.236 516 HG LEU 68 HG LEU 68 -7.658 -7.250 2.067 517 HD11 LEU 68 1HD1 LEU 68 -8.671 -7.839 -0.334 518 HD12 LEU 68 2HD1 LEU 68 -9.463 -6.717 0.798 519 HD13 LEU 68 3HD1 LEU 68 -8.480 -6.081 -0.543 520 HD21 LEU 68 1HD2 LEU 68 -6.793 -8.765 0.123 521 HD22 LEU 68 2HD2 LEU 68 -5.649 -7.430 -0.155 522 HD23 LEU 68 3HD2 LEU 68 -5.687 -8.256 1.421 523 H GLN 69 HN GLN 69 -4.649 -3.571 3.518 524 HA GLN 69 HA GLN 69 -3.873 -1.773 1.417 525 HB2 GLN 69 2HB GLN 69 -4.281 -1.547 4.404 526 HB3 GLN 69 3HB GLN 69 -3.358 -0.311 3.573 527 HG2 GLN 69 2HG GLN 69 -5.294 -0.028 1.954 528 HG3 GLN 69 3HG GLN 69 -6.216 -1.167 2.916 529 HE21 GLN 69 1HE2 GLN 69 -7.488 0.994 2.763 530 HE22 GLN 69 2HE2 GLN 69 -7.340 2.055 4.124 531 H ASN 70 HN ASN 70 -2.419 -4.356 2.884 532 HA ASN 70 HA ASN 70 0.082 -3.133 3.481 533 HB2 ASN 70 2HB ASN 70 0.814 -5.398 4.028 534 HB3 ASN 70 3HB ASN 70 -0.816 -5.212 4.644 535 HD21 ASN 70 1HD2 ASN 70 -2.571 -6.135 3.532 536 HD22 ASN 70 2HD2 ASN 70 -2.376 -7.478 2.456 537 H PHE 71 HN PHE 71 -1.387 -5.273 0.949 538 HA PHE 71 HA PHE 71 1.048 -5.310 -0.579 539 HB2 PHE 71 2HB PHE 71 -1.845 -6.176 -1.179 540 HB3 PHE 71 3HB PHE 71 -0.445 -6.659 -2.117 541 HD1 PHE 71 HD1 PHE 71 -2.670 -7.762 0.262 542 HD2 PHE 71 HD2 PHE 71 1.500 -7.723 -0.525 543 HE1 PHE 71 HE1 PHE 71 -2.372 -9.769 1.739 544 HE2 PHE 71 HE2 PHE 71 1.797 -9.731 0.952 545 HZ PHE 71 HZ PHE 71 -0.142 -10.730 2.066 546 H LYS 72 HN LYS 72 -1.035 -2.863 0.002 547 HA LYS 72 HA LYS 72 -0.300 -1.414 -2.260 548 HB2 LYS 72 2HB LYS 72 -1.905 -2.971 -3.381 549 HB3 LYS 72 3HB LYS 72 -3.184 -2.346 -2.359 550 HG2 LYS 72 2HG LYS 72 -3.461 -0.905 -4.145 551 HG3 LYS 72 3HG LYS 72 -2.261 0.021 -3.266 552 HD2 LYS 72 2HD LYS 72 -1.518 -2.030 -5.399 553 HD3 LYS 72 3HD LYS 72 -1.797 -0.340 -5.770 554 HE2 LYS 72 2HE LYS 72 0.423 -1.572 -4.117 555 HE3 LYS 72 3HE LYS 72 0.548 -0.438 -5.447 556 HZ1 LYS 72 1HZ LYS 72 0.920 0.719 -3.376 557 HZ2 LYS 72 2HZ LYS 72 -0.501 1.248 -3.971 558 H ALA 73 HN ALA 73 -0.946 0.812 -2.071 559 HA ALA 73 HA ALA 73 -1.971 1.392 0.609 560 HB1 ALA 73 1HB ALA 73 0.166 2.414 -1.050 561 HB2 ALA 73 2HB ALA 73 -0.974 3.726 -0.666 562 HB3 ALA 73 3HB ALA 73 -0.216 2.793 0.647 563 H GLY 74 HN GLY 74 -3.562 0.586 -1.883 564 HA2 GLY 74 1HA GLY 74 -5.453 2.816 -1.722 565 HA3 GLY 74 2HA GLY 74 -4.847 2.373 -3.305 566 H ALA 75 HN ALA 75 -5.013 -0.233 -0.972 567 HA ALA 75 HA ALA 75 -6.966 -1.570 -2.571 568 HB1 ALA 75 1HB ALA 75 -6.577 -3.412 -0.993 569 HB2 ALA 75 2HB ALA 75 -5.028 -2.706 -1.514 570 HB3 ALA 75 3HB ALA 75 -5.688 -2.315 0.092 571 H ARG 76 HN ARG 76 -8.603 -2.928 -0.838 572 HA ARG 76 HA ARG 76 -10.122 -0.722 0.291 573 HB2 ARG 76 2HB ARG 76 -12.119 -2.188 -0.007 574 HB3 ARG 76 3HB ARG 76 -11.280 -1.946 -1.526 575 HG2 ARG 76 2HG ARG 76 -10.480 -4.142 -1.606 576 HG3 ARG 76 3HG ARG 76 -10.451 -4.314 0.137 577 HD2 ARG 76 2HD ARG 76 -12.980 -4.351 0.143 578 HD3 ARG 76 3HD ARG 76 -12.962 -4.271 -1.607 579 HE ARG 76 HE ARG 76 -11.355 -6.432 -1.172 580 HH11 ARG 76 HH1 ARG 76 -13.507 -8.992 -0.233 581 HH21 ARG 76 1HH2 ARG 76 -15.007 -7.232 0.395 582 HH22 ARG 76 2HH2 ARG 76 -14.521 -5.584 0.174 583 H ALA 77 HN ALA 77 -11.693 -1.607 2.169 584 HA ALA 77 HA ALA 77 -9.977 -3.186 3.956 585 HB1 ALA 77 1HB ALA 77 -12.166 -1.166 4.596 586 HB2 ALA 77 2HB ALA 77 -11.127 -2.002 5.775 587 HB3 ALA 77 3HB ALA 77 -10.417 -0.837 4.631 588 H LEU 78 HN LEU 78 -10.673 -5.179 4.565 589 HA LEU 78 HA LEU 78 -12.844 -6.389 3.408 590 HB2 LEU 78 2HB LEU 78 -11.449 -7.039 6.008 591 HB3 LEU 78 3HB LEU 78 -12.554 -8.110 5.169 592 HG LEU 78 HG LEU 78 -10.514 -8.928 4.497 593 HD11 LEU 78 1HD1 LEU 78 -10.188 -8.408 2.173 594 HD12 LEU 78 2HD1 LEU 78 -11.930 -8.341 2.536 595 HD13 LEU 78 3HD1 LEU 78 -10.998 -6.834 2.362 596 HD21 LEU 78 1HD2 LEU 78 -9.238 -6.299 3.864 597 HD22 LEU 78 2HD2 LEU 78 -9.378 -6.800 5.567 598 HD23 LEU 78 3HD2 LEU 78 -8.508 -7.830 4.404 599 H SER 79 HN SER 79 -14.938 -7.052 4.233 600 HA SER 79 HA SER 79 -16.271 -4.930 5.437 601 HB2 SER 79 2HB SER 79 -17.305 -6.579 3.868 602 HB3 SER 79 3HB SER 79 -17.166 -7.826 5.091 603 HG SER 79 HG SER 79 -19.029 -7.148 5.876 604 H ASP 80 HN ASP 80 -17.785 -5.340 7.461 605 HA ASP 80 HA ASP 80 -16.119 -5.699 9.631 606 HB2 ASP 80 2HB ASP 80 -18.362 -5.807 10.915 607 HB3 ASP 80 3HB ASP 80 -18.056 -4.366 9.966 608 HD2 ASP 80 HD2 ASP 80 -21.236 -5.599 10.066 609 H ALA 81 HN ALA 81 -18.042 -7.912 7.663 610 HA ALA 81 HA ALA 81 -18.034 -9.996 9.675 611 HB1 ALA 81 1HB ALA 81 -18.879 -10.326 6.796 612 HB2 ALA 81 2HB ALA 81 -19.527 -11.106 8.259 613 HB3 ALA 81 3HB ALA 81 -19.896 -9.397 7.923 614 H GLU 82 HN GLU 82 -16.403 -9.066 6.614 615 HA GLU 82 HA GLU 82 -15.090 -11.479 6.242 616 HB2 GLU 82 2HB GLU 82 -14.551 -8.632 5.348 617 HB3 GLU 82 3HB GLU 82 -13.432 -9.916 4.939 618 HG2 GLU 82 2HG GLU 82 -15.180 -11.169 3.773 619 HG3 GLU 82 3HG GLU 82 -16.422 -10.074 4.348 620 HE2 GLU 82 HE2 GLU 82 -13.832 -8.515 1.689 621 H THR 83 HN THR 83 -14.162 -8.461 8.002 622 HA THR 83 HA THR 83 -11.585 -9.442 8.715 623 HB THR 83 HB THR 83 -13.375 -7.112 9.531 624 HG1 THR 83 HG1 THR 83 -12.207 -6.418 7.785 625 HG21 THR 83 1HG2 THR 83 -10.883 -8.145 10.836 626 HG22 THR 83 2HG2 THR 83 -10.861 -6.420 10.396 627 HG23 THR 83 3HG2 THR 83 -12.124 -7.044 11.483 628 H LYS 84 HN LYS 84 -14.815 -10.001 9.896 629 HA LYS 84 HA LYS 84 -14.130 -10.547 12.574 630 HB2 LYS 84 2HB LYS 84 -16.478 -10.923 10.794 631 HB3 LYS 84 3HB LYS 84 -16.377 -12.005 12.168 632 HG2 LYS 84 2HG LYS 84 -15.873 -9.056 12.609 633 HG3 LYS 84 3HG LYS 84 -17.525 -9.601 12.393 634 HD2 LYS 84 2HD LYS 84 -15.570 -10.692 14.474 635 HD3 LYS 84 3HD LYS 84 -16.860 -9.552 14.803 636 HE2 LYS 84 2HE LYS 84 -17.072 -12.479 14.043 637 HE3 LYS 84 3HE LYS 84 -17.811 -11.644 15.395 638 HZ1 LYS 84 1HZ LYS 84 -18.928 -12.071 12.873 639 HZ2 LYS 84 2HZ LYS 84 -19.600 -11.263 14.117 640 H ALA 85 HN ALA 85 -14.877 -12.798 9.813 641 HA ALA 85 HA ALA 85 -14.015 -15.079 11.171 642 HB1 ALA 85 1HB ALA 85 -15.426 -15.386 9.306 643 HB2 ALA 85 2HB ALA 85 -14.435 -14.335 8.266 644 HB3 ALA 85 3HB ALA 85 -13.838 -15.947 8.730 645 H PHE 86 HN PHE 86 -12.264 -12.391 9.898 646 HA PHE 86 HA PHE 86 -9.889 -13.874 9.282 647 HB2 PHE 86 2HB PHE 86 -10.952 -11.477 8.516 648 HB3 PHE 86 3HB PHE 86 -10.016 -10.896 9.878 649 HD1 PHE 86 HD1 PHE 86 -7.963 -13.361 9.139 650 HD2 PHE 86 HD2 PHE 86 -9.472 -9.898 7.205 651 HE1 PHE 86 HE1 PHE 86 -5.913 -13.275 7.693 652 HE2 PHE 86 HE2 PHE 86 -7.422 -9.812 5.760 653 HZ PHE 86 HZ PHE 86 -5.667 -11.501 6.021 654 H LEU 87 HN LEU 87 -11.227 -11.991 12.022 655 HA LEU 87 HA LEU 87 -8.787 -11.856 13.444 656 HB2 LEU 87 2HB LEU 87 -10.603 -10.288 13.787 657 HB3 LEU 87 3HB LEU 87 -11.663 -11.576 14.322 658 HG LEU 87 HG LEU 87 -10.102 -11.973 16.254 659 HD11 LEU 87 1HD1 LEU 87 -8.249 -10.600 14.901 660 HD12 LEU 87 2HD1 LEU 87 -8.910 -9.272 15.886 661 HD13 LEU 87 3HD1 LEU 87 -8.254 -10.726 16.677 662 HD21 LEU 87 1HD2 LEU 87 -10.756 -9.712 17.384 663 HD22 LEU 87 2HD2 LEU 87 -11.649 -9.430 15.870 664 HD23 LEU 87 3HD2 LEU 87 -12.022 -10.853 16.871 665 H LYS 88 HN LYS 88 -11.782 -13.808 14.119 666 HA LYS 88 HA LYS 88 -10.554 -15.470 15.964 667 HB2 LYS 88 2HB LYS 88 -13.061 -15.506 14.356 668 HB3 LYS 88 3HB LYS 88 -12.547 -17.032 15.047 669 HG2 LYS 88 2HG LYS 88 -12.214 -15.647 17.268 670 HG3 LYS 88 3HG LYS 88 -13.225 -14.447 16.488 671 HD2 LYS 88 2HD LYS 88 -14.765 -16.619 15.998 672 HD3 LYS 88 3HD LYS 88 -13.938 -17.219 17.422 673 HE2 LYS 88 2HE LYS 88 -15.252 -14.471 17.388 674 HE3 LYS 88 3HE LYS 88 -16.162 -15.916 17.783 675 HZ1 LYS 88 1HZ LYS 88 -14.509 -14.476 19.492 676 HZ2 LYS 88 2HZ LYS 88 -15.273 -15.874 19.831 677 H ALA 89 HN ALA 89 -10.210 -15.275 12.512 678 HA ALA 89 HA ALA 89 -9.616 -17.963 11.970 679 HB1 ALA 89 1HB ALA 89 -8.163 -16.497 10.146 680 HB2 ALA 89 2HB ALA 89 -9.892 -16.890 9.991 681 HB3 ALA 89 3HB ALA 89 -9.392 -15.320 10.664 682 H GLY 90 HN GLY 90 -7.727 -15.219 13.275 683 HA2 GLY 90 1HA GLY 90 -5.382 -17.012 13.466 684 HA3 GLY 90 2HA GLY 90 -5.311 -15.266 13.333 685 H ASP 91 HN ASP 91 -6.825 -14.113 15.135 686 HA ASP 91 HA ASP 91 -5.576 -14.568 17.521 687 HB2 ASP 91 2HB ASP 91 -7.200 -12.630 16.542 688 HB3 ASP 91 3HB ASP 91 -8.376 -13.462 17.540 689 HD2 ASP 91 HD2 ASP 91 -8.089 -11.133 18.812 690 H SER 92 HN SER 92 -5.720 -16.768 18.256 691 HA SER 92 HA SER 92 -8.284 -18.015 18.354 692 HB2 SER 92 2HB SER 92 -6.152 -19.250 17.833 693 HB3 SER 92 3HB SER 92 -5.604 -18.953 19.470 694 HG SER 92 HG SER 92 -6.644 -20.744 19.990 695 H ASP 93 HN ASP 93 -7.002 -15.674 20.096 696 HA ASP 93 HA ASP 93 -8.066 -16.651 22.727 697 HB2 ASP 93 2HB ASP 93 -6.482 -14.769 23.554 698 HB3 ASP 93 3HB ASP 93 -5.737 -16.243 22.941 699 H GLY 94 HN GLY 94 -8.701 -14.544 20.058 700 HA2 GLY 94 1HA GLY 94 -9.857 -12.598 19.854 701 HA3 GLY 94 2HA GLY 94 -10.990 -13.453 20.882 702 H ASP 95 HN ASP 95 -7.946 -11.480 21.090 703 HA ASP 95 HA ASP 95 -8.850 -10.594 23.697 704 HB2 ASP 95 2HB ASP 95 -6.197 -10.068 22.279 705 HB3 ASP 95 3HB ASP 95 -6.555 -9.711 23.957 706 HD2 ASP 95 HD2 ASP 95 -7.333 -12.768 24.731 707 H GLY 96 HN GLY 96 -8.455 -9.675 20.325 708 HA2 GLY 96 1HA GLY 96 -9.794 -7.740 19.660 709 HA3 GLY 96 2HA GLY 96 -9.085 -6.863 21.002 710 H LYS 97 HN LYS 97 -6.628 -8.864 19.948 711 HA LYS 97 HA LYS 97 -5.807 -7.152 17.746 712 HB2 LYS 97 2HB LYS 97 -3.823 -7.589 19.951 713 HB3 LYS 97 3HB LYS 97 -3.864 -6.349 18.714 714 HG2 LYS 97 2HG LYS 97 -5.872 -5.325 19.810 715 HG3 LYS 97 3HG LYS 97 -5.822 -6.562 21.051 716 HD2 LYS 97 2HD LYS 97 -3.471 -4.704 20.478 717 HD3 LYS 97 3HD LYS 97 -4.714 -4.325 21.654 718 HE2 LYS 97 2HE LYS 97 -3.346 -7.017 21.821 719 HE3 LYS 97 3HE LYS 97 -2.477 -5.601 22.380 720 HZ1 LYS 97 1HZ LYS 97 -5.108 -5.516 23.399 721 HZ2 LYS 97 2HZ LYS 97 -4.480 -6.979 23.743 722 H ILE 98 HN ILE 98 -4.003 -8.103 16.505 723 HA ILE 98 HA ILE 98 -3.780 -10.988 17.013 724 HB ILE 98 HB ILE 98 -4.504 -9.490 14.544 725 HG12 ILE 98 2HG1 ILE 98 -5.398 -11.971 15.987 726 HG13 ILE 98 3HG1 ILE 98 -6.330 -10.564 15.515 727 HG21 ILE 98 1HG2 ILE 98 -2.951 -12.093 14.513 728 HG22 ILE 98 2HG2 ILE 98 -3.745 -11.331 13.114 729 HG23 ILE 98 3HG2 ILE 98 -2.382 -10.515 13.917 730 HD11 ILE 98 1HD1 ILE 98 -5.924 -11.215 13.078 731 HD12 ILE 98 2HD1 ILE 98 -5.227 -12.737 13.684 732 HD13 ILE 98 3HD1 ILE 98 -6.934 -12.351 14.004 733 H GLY 99 HN GLY 99 -1.752 -11.352 17.739 734 HA2 GLY 99 1HA GLY 99 0.405 -9.566 17.050 735 HA3 GLY 99 2HA GLY 99 0.466 -10.978 18.086 736 H ILE 100 HN ILE 100 2.549 -11.418 16.924 737 HA ILE 100 HA ILE 100 2.339 -12.158 14.155 738 HB ILE 100 HB ILE 100 4.321 -11.114 15.570 739 HG12 ILE 100 2HG1 ILE 100 4.251 -11.382 13.133 740 HG13 ILE 100 3HG1 ILE 100 5.833 -11.759 13.785 741 HG21 ILE 100 1HG2 ILE 100 4.639 -12.925 17.111 742 HG22 ILE 100 2HG2 ILE 100 4.786 -14.099 15.782 743 HG23 ILE 100 3HG2 ILE 100 6.042 -12.861 16.018 744 HD11 ILE 100 1HD1 ILE 100 5.348 -13.499 12.207 745 HD12 ILE 100 2HD1 ILE 100 5.103 -14.229 13.811 746 HD13 ILE 100 3HD1 ILE 100 3.700 -13.715 12.843 747 H ASP 101 HN ASP 101 2.400 -13.731 17.367 748 HA ASP 101 HA ASP 101 2.761 -16.311 16.343 749 HB2 ASP 101 2HB ASP 101 1.226 -15.860 18.893 750 HB3 ASP 101 3HB ASP 101 2.499 -17.018 18.561 751 HD2 ASP 101 HD2 ASP 101 3.379 -13.636 20.320 752 H GLU 102 HN GLU 102 0.083 -14.069 16.532 753 HA GLU 102 HA GLU 102 -1.864 -16.199 16.336 754 HB2 GLU 102 2HB GLU 102 -2.056 -13.199 16.758 755 HB3 GLU 102 3HB GLU 102 -3.472 -14.139 16.332 756 HG2 GLU 102 2HG GLU 102 -3.514 -15.276 18.368 757 HG3 GLU 102 3HG GLU 102 -1.776 -15.198 18.576 758 H PHE 103 HN PHE 103 -0.356 -13.545 14.466 759 HA PHE 103 HA PHE 103 -2.136 -13.849 12.255 760 HB2 PHE 103 2HB PHE 103 -1.042 -11.702 12.676 761 HB3 PHE 103 3HB PHE 103 0.525 -12.461 12.870 762 HD1 PHE 103 HD1 PHE 103 -2.084 -11.677 10.355 763 HD2 PHE 103 HD2 PHE 103 1.977 -12.702 11.037 764 HE1 PHE 103 HE1 PHE 103 -1.562 -11.214 7.943 765 HE2 PHE 103 HE2 PHE 103 2.499 -12.240 8.626 766 HZ PHE 103 HZ PHE 103 0.723 -11.501 7.108 767 H ALA 104 HN ALA 104 0.959 -15.239 13.311 768 HA ALA 104 HA ALA 104 1.475 -16.339 10.683 769 HB1 ALA 104 1HB ALA 104 3.493 -17.261 11.829 770 HB2 ALA 104 2HB ALA 104 3.343 -15.497 12.013 771 HB3 ALA 104 3HB ALA 104 2.905 -16.574 13.361 772 H ALA 105 HN ALA 105 -0.572 -17.030 13.273 773 HA ALA 105 HA ALA 105 -0.208 -19.887 13.244 774 HB1 ALA 105 1HB ALA 105 -1.117 -19.565 15.273 775 HB2 ALA 105 2HB ALA 105 -1.516 -17.877 14.873 776 HB3 ALA 105 3HB ALA 105 -2.659 -19.180 14.472 777 H MET 106 HN MET 106 -2.804 -17.538 12.258 778 HA MET 106 HA MET 106 -4.523 -19.307 11.170 779 HB2 MET 106 2HB MET 106 -5.153 -17.336 9.637 780 HB3 MET 106 3HB MET 106 -5.075 -16.940 11.342 781 HG2 MET 106 2HG MET 106 -2.509 -16.378 10.733 782 HG3 MET 106 3HG MET 106 -3.176 -16.173 9.126 783 HE1 MET 106 1HE MET 106 -6.311 -15.181 10.223 784 HE2 MET 106 2HE MET 106 -5.963 -13.523 9.677 785 HE3 MET 106 3HE MET 106 -5.399 -14.912 8.718 786 H ILE 107 HN ILE 107 -1.330 -18.459 10.023 787 HA ILE 107 HA ILE 107 -1.918 -19.626 7.405 788 HB ILE 107 HB ILE 107 0.526 -18.753 7.047 789 HG12 ILE 107 2HG1 ILE 107 -0.398 -16.926 9.282 790 HG13 ILE 107 3HG1 ILE 107 0.823 -18.170 9.464 791 HG21 ILE 107 1HG2 ILE 107 -0.352 -16.816 6.044 792 HG22 ILE 107 2HG2 ILE 107 -1.674 -18.007 5.996 793 HG23 ILE 107 3HG2 ILE 107 -1.690 -16.709 7.214 794 HD11 ILE 107 1HD1 ILE 107 2.416 -16.961 8.343 795 HD12 ILE 107 2HD1 ILE 107 1.252 -16.358 7.140 796 HD13 ILE 107 3HD1 ILE 107 1.366 -15.579 8.736 797 H LYS 108 HN LYS 108 0.275 -19.859 10.266 798 HA LYS 108 HA LYS 108 1.749 -22.028 9.340 799 HB2 LYS 108 2HB LYS 108 2.510 -20.684 11.185 800 HB3 LYS 108 3HB LYS 108 1.090 -21.070 12.137 801 HG2 LYS 108 2HG LYS 108 1.920 -23.104 12.785 802 HG3 LYS 108 3HG LYS 108 2.519 -23.481 11.182 803 HD2 LYS 108 2HD LYS 108 3.987 -21.294 12.591 804 HD3 LYS 108 3HD LYS 108 4.129 -22.876 13.332 805 HE2 LYS 108 2HE LYS 108 4.648 -23.726 10.892 806 HE3 LYS 108 3HE LYS 108 4.939 -22.037 10.527 807 HZ1 LYS 108 1HZ LYS 108 6.258 -23.271 12.861 808 HZ2 LYS 108 2HZ LYS 108 6.897 -23.463 11.376 809 H GLY 109 HN GLY 109 -1.574 -21.773 10.299 810 HA2 GLY 109 1HA GLY 109 -1.984 -24.572 9.793 811 HA3 GLY 109 2HA GLY 109 -2.196 -24.146 11.479 Start of MODEL 7 1 H SER 0 HN SER 0 3.325 -0.667 2.832 2 HA SER 0 HA SER 0 1.888 -0.215 0.460 3 HB2 SER 0 2HB SER 0 2.846 1.658 1.671 4 HB3 SER 0 3HB SER 0 4.456 0.969 1.590 5 HG SER 0 HG SER 0 3.141 1.401 -0.892 6 H MET 1 HN MET 1 2.081 -2.060 -0.912 7 HA MET 1 HA MET 1 3.076 -3.594 -2.146 8 HB2 MET 1 2HB MET 1 4.109 -0.877 -2.957 9 HB3 MET 1 3HB MET 1 4.883 -2.253 -3.719 10 HG2 MET 1 2HG MET 1 1.850 -1.914 -3.645 11 HG3 MET 1 3HG MET 1 2.837 -1.283 -4.948 12 HE1 MET 1 1HE MET 1 0.624 -4.302 -5.676 13 HE2 MET 1 2HE MET 1 0.902 -2.553 -5.853 14 HE3 MET 1 3HE MET 1 1.619 -3.691 -7.019 15 H ALA 2 HN ALA 2 4.288 -3.596 0.432 16 HA ALA 2 HA ALA 2 7.134 -3.540 0.113 17 HB1 ALA 2 1HB ALA 2 7.076 -4.400 2.459 18 HB2 ALA 2 2HB ALA 2 6.097 -2.930 2.236 19 HB3 ALA 2 3HB ALA 2 5.304 -4.520 2.340 20 H PHE 3 HN PHE 3 4.509 -6.005 0.244 21 HA PHE 3 HA PHE 3 6.039 -8.267 0.405 22 HB2 PHE 3 2HB PHE 3 3.412 -7.397 -0.830 23 HB3 PHE 3 3HB PHE 3 3.991 -8.986 -1.289 24 HD1 PHE 3 HD1 PHE 3 4.736 -10.509 0.754 25 HD2 PHE 3 HD2 PHE 3 2.068 -7.222 1.038 26 HE1 PHE 3 HE1 PHE 3 3.779 -11.468 2.867 27 HE2 PHE 3 HE2 PHE 3 1.111 -8.180 3.152 28 HZ PHE 3 HZ PHE 3 1.978 -10.292 4.041 29 H ALA 4 HN ALA 4 5.865 -5.938 -2.190 30 HA ALA 4 HA ALA 4 6.314 -7.488 -4.413 31 HB1 ALA 4 1HB ALA 4 6.022 -4.881 -3.988 32 HB2 ALA 4 2HB ALA 4 7.802 -4.902 -4.040 33 HB3 ALA 4 3HB ALA 4 6.864 -5.483 -5.437 34 H SER 5 HN SER 5 8.334 -6.957 -1.609 35 HA SER 5 HA SER 5 10.665 -7.856 -3.071 36 HB2 SER 5 2HB SER 5 10.204 -6.592 -0.364 37 HB3 SER 5 3HB SER 5 11.683 -7.490 -0.644 38 HG SER 5 HG SER 5 12.361 -6.024 -2.152 39 H VAL 6 HN VAL 6 8.612 -8.682 -0.198 40 HA VAL 6 HA VAL 6 9.970 -11.055 0.424 41 HB VAL 6 HB VAL 6 7.059 -10.491 0.953 42 HG11 VAL 6 1HG1 VAL 6 7.992 -11.489 3.247 43 HG12 VAL 6 2HG1 VAL 6 7.461 -12.532 1.907 44 HG13 VAL 6 3HG1 VAL 6 9.194 -12.206 2.147 45 HG21 VAL 6 1HG2 VAL 6 7.691 -8.503 1.804 46 HG22 VAL 6 2HG2 VAL 6 8.353 -9.470 3.144 47 HG23 VAL 6 3HG2 VAL 6 9.416 -8.943 1.816 48 H LEU 7 HN LEU 7 6.737 -10.596 -1.186 49 HA LEU 7 HA LEU 7 7.204 -13.186 -2.482 50 HB2 LEU 7 2HB LEU 7 4.666 -11.723 -1.758 51 HB3 LEU 7 3HB LEU 7 4.703 -13.123 -2.812 52 HG LEU 7 HG LEU 7 5.950 -13.327 -0.091 53 HD11 LEU 7 1HD1 LEU 7 3.274 -12.498 -0.447 54 HD12 LEU 7 2HD1 LEU 7 3.220 -14.216 0.016 55 HD13 LEU 7 3HD1 LEU 7 4.070 -13.041 1.049 56 HD21 LEU 7 1HD2 LEU 7 6.207 -15.421 -0.773 57 HD22 LEU 7 2HD2 LEU 7 4.436 -15.603 -0.764 58 HD23 LEU 7 3HD2 LEU 7 5.272 -15.104 -2.254 59 H LYS 8 HN LYS 8 5.681 -13.162 -4.669 60 HA LYS 8 HA LYS 8 6.995 -11.164 -6.284 61 HB2 LYS 8 2HB LYS 8 5.095 -13.279 -7.285 62 HB3 LYS 8 3HB LYS 8 6.421 -12.504 -8.127 63 HG2 LYS 8 2HG LYS 8 6.614 -14.518 -5.846 64 HG3 LYS 8 3HG LYS 8 7.143 -14.741 -7.502 65 HD2 LYS 8 2HD LYS 8 8.314 -12.668 -5.587 66 HD3 LYS 8 3HD LYS 8 9.029 -14.237 -5.898 67 HE2 LYS 8 2HE LYS 8 8.440 -12.251 -8.136 68 HE3 LYS 8 3HE LYS 8 9.959 -12.249 -7.264 69 HZ1 LYS 8 1HZ LYS 8 8.872 -14.574 -8.761 70 HZ2 LYS 8 2HZ LYS 8 10.099 -13.626 -9.260 71 H ASP 9 HN ASP 9 6.120 -9.234 -6.791 72 HA ASP 9 HA ASP 9 3.665 -8.470 -5.844 73 HB2 ASP 9 2HB ASP 9 3.934 -6.552 -7.540 74 HB3 ASP 9 3HB ASP 9 5.238 -6.762 -6.389 75 HD2 ASP 9 HD2 ASP 9 5.323 -6.042 -9.737 76 H ALA 10 HN ALA 10 4.638 -10.216 -8.748 77 HA ALA 10 HA ALA 10 2.237 -9.606 -10.215 78 HB1 ALA 10 1HB ALA 10 4.834 -10.499 -10.811 79 HB2 ALA 10 2HB ALA 10 3.784 -11.895 -11.151 80 HB3 ALA 10 3HB ALA 10 3.475 -10.334 -11.948 81 H GLU 11 HN GLU 11 3.277 -11.813 -7.733 82 HA GLU 11 HA GLU 11 1.327 -13.787 -8.469 83 HB2 GLU 11 2HB GLU 11 3.392 -13.546 -6.261 84 HB3 GLU 11 3HB GLU 11 2.155 -14.785 -6.188 85 HG2 GLU 11 2HG GLU 11 4.027 -14.383 -8.569 86 HG3 GLU 11 3HG GLU 11 4.314 -15.540 -7.284 87 HE2 GLU 11 HE2 GLU 11 2.653 -17.337 -7.189 88 H VAL 12 HN VAL 12 2.017 -11.875 -5.443 89 HA VAL 12 HA VAL 12 -0.293 -12.340 -4.121 90 HB VAL 12 HB VAL 12 0.112 -10.277 -2.954 91 HG11 VAL 12 1HG1 VAL 12 1.711 -12.261 -2.754 92 HG12 VAL 12 2HG1 VAL 12 2.838 -11.318 -3.760 93 HG13 VAL 12 3HG1 VAL 12 2.311 -10.686 -2.181 94 HG21 VAL 12 1HG2 VAL 12 1.533 -8.527 -3.707 95 HG22 VAL 12 2HG2 VAL 12 2.138 -9.501 -5.068 96 HG23 VAL 12 3HG2 VAL 12 0.458 -8.913 -5.073 97 H THR 13 HN THR 13 0.217 -10.307 -6.993 98 HA THR 13 HA THR 13 -1.957 -8.675 -6.964 99 HB THR 13 HB THR 13 0.015 -9.278 -8.729 100 HG1 THR 13 HG1 THR 13 -2.656 -8.332 -9.479 101 HG21 THR 13 1HG2 THR 13 -1.119 -10.075 -10.835 102 HG22 THR 13 2HG2 THR 13 -1.031 -11.353 -9.599 103 HG23 THR 13 3HG2 THR 13 -2.560 -10.483 -9.873 104 H ALA 14 HN ALA 14 -1.919 -12.130 -8.050 105 HA ALA 14 HA ALA 14 -4.640 -12.197 -8.680 106 HB1 ALA 14 1HB ALA 14 -3.845 -14.133 -9.498 107 HB2 ALA 14 2HB ALA 14 -2.371 -13.996 -8.509 108 HB3 ALA 14 3HB ALA 14 -3.825 -14.773 -7.837 109 H ALA 15 HN ALA 15 -2.844 -12.450 -5.621 110 HA ALA 15 HA ALA 15 -5.024 -13.551 -4.158 111 HB1 ALA 15 1HB ALA 15 -3.590 -13.217 -2.251 112 HB2 ALA 15 2HB ALA 15 -2.560 -13.745 -3.603 113 HB3 ALA 15 3HB ALA 15 -2.600 -12.029 -3.131 114 H LEU 16 HN LEU 16 -4.171 -10.399 -5.381 115 HA LEU 16 HA LEU 16 -5.775 -9.034 -3.390 116 HB2 LEU 16 2HB LEU 16 -3.857 -8.272 -5.523 117 HB3 LEU 16 3HB LEU 16 -5.128 -7.122 -5.157 118 HG LEU 16 HG LEU 16 -3.345 -8.283 -3.010 119 HD11 LEU 16 1HD1 LEU 16 -2.483 -6.641 -5.127 120 HD12 LEU 16 2HD1 LEU 16 -2.640 -5.577 -3.708 121 HD13 LEU 16 3HD1 LEU 16 -1.618 -7.032 -3.621 122 HD21 LEU 16 1HD2 LEU 16 -4.328 -5.583 -2.617 123 HD22 LEU 16 2HD2 LEU 16 -5.662 -6.729 -2.896 124 HD23 LEU 16 3HD2 LEU 16 -4.495 -7.024 -1.585 125 H ASP 17 HN ASP 17 -5.831 -9.935 -6.877 126 HA ASP 17 HA ASP 17 -8.211 -8.579 -7.402 127 HB2 ASP 17 2HB ASP 17 -6.397 -9.623 -9.004 128 HB3 ASP 17 3HB ASP 17 -7.322 -11.102 -8.843 129 HD2 ASP 17 HD2 ASP 17 -8.979 -10.766 -11.215 130 H GLY 18 HN GLY 18 -7.346 -11.745 -6.033 131 HA2 GLY 18 1HA GLY 18 -9.878 -13.010 -6.429 132 HA3 GLY 18 2HA GLY 18 -8.566 -13.538 -5.394 133 H CYS 19 HN CYS 19 -8.946 -10.374 -4.498 134 HA CYS 19 HA CYS 19 -11.090 -11.012 -2.609 135 HB2 CYS 19 2HB CYS 19 -9.883 -9.966 -0.805 136 HB3 CYS 19 3HB CYS 19 -8.874 -11.218 -1.502 137 HG CYS 19 HG CYS 19 -7.004 -9.767 -1.644 138 H LYS 20 HN LYS 20 -10.833 -9.535 -5.292 139 HA LYS 20 HA LYS 20 -11.136 -6.768 -4.528 140 HB2 LYS 20 2HB LYS 20 -10.834 -8.305 -7.060 141 HB3 LYS 20 3HB LYS 20 -11.735 -6.805 -7.155 142 HG2 LYS 20 2HG LYS 20 -9.085 -6.865 -5.684 143 HG3 LYS 20 3HG LYS 20 -9.099 -6.783 -7.434 144 HD2 LYS 20 2HD LYS 20 -9.137 -4.510 -6.952 145 HD3 LYS 20 3HD LYS 20 -10.861 -4.814 -7.016 146 HE2 LYS 20 2HE LYS 20 -11.103 -4.759 -4.668 147 HE3 LYS 20 3HE LYS 20 -9.427 -5.178 -4.378 148 HZ1 LYS 20 1HZ LYS 20 -9.145 -2.840 -5.651 149 HZ2 LYS 20 2HZ LYS 20 -10.572 -2.565 -4.916 150 H ALA 21 HN ALA 21 -13.083 -9.603 -4.746 151 HA ALA 21 HA ALA 21 -15.503 -8.054 -5.245 152 HB1 ALA 21 1HB ALA 21 -16.467 -10.484 -5.060 153 HB2 ALA 21 2HB ALA 21 -15.526 -10.030 -6.502 154 HB3 ALA 21 3HB ALA 21 -14.764 -10.982 -5.205 155 H ALA 22 HN ALA 22 -16.404 -7.062 -3.513 156 HA ALA 22 HA ALA 22 -15.713 -7.435 -0.905 157 HB1 ALA 22 1HB ALA 22 -17.690 -6.168 -0.385 158 HB2 ALA 22 2HB ALA 22 -17.098 -5.588 -1.961 159 HB3 ALA 22 3HB ALA 22 -18.493 -6.690 -1.885 160 H GLY 23 HN GLY 23 -16.376 -8.744 0.813 161 HA2 GLY 23 1HA GLY 23 -17.195 -10.573 1.828 162 HA3 GLY 23 2HA GLY 23 -18.614 -10.413 0.813 163 H SER 24 HN SER 24 -15.407 -10.766 -0.670 164 HA SER 24 HA SER 24 -16.061 -13.553 -1.211 165 HB2 SER 24 2HB SER 24 -16.445 -11.796 -3.138 166 HB3 SER 24 3HB SER 24 -14.697 -11.798 -3.271 167 HG SER 24 HG SER 24 -14.696 -13.845 -4.035 168 H PHE 25 HN PHE 25 -14.092 -11.624 0.481 169 HA PHE 25 HA PHE 25 -11.557 -12.680 -0.430 170 HB2 PHE 25 2HB PHE 25 -11.582 -10.367 0.310 171 HB3 PHE 25 3HB PHE 25 -12.613 -10.734 1.678 172 HD1 PHE 25 HD1 PHE 25 -11.618 -10.679 3.749 173 HD2 PHE 25 HD2 PHE 25 -9.246 -11.741 0.394 174 HE1 PHE 25 HE1 PHE 25 -9.597 -10.840 5.228 175 HE2 PHE 25 HE2 PHE 25 -7.225 -11.902 1.874 176 HZ PHE 25 HZ PHE 25 -7.425 -11.449 4.273 177 H ASP 26 HN ASP 26 -10.306 -14.214 0.650 178 HA ASP 26 HA ASP 26 -11.455 -15.248 3.110 179 HB2 ASP 26 2HB ASP 26 -10.845 -16.706 0.550 180 HB3 ASP 26 3HB ASP 26 -10.457 -17.537 2.043 181 HD2 ASP 26 HD2 ASP 26 -13.271 -18.947 2.007 182 H HIS 27 HN HIS 27 -9.751 -14.433 4.429 183 HA HIS 27 HA HIS 27 -7.189 -14.011 3.833 184 HB2 HIS 27 2HB HIS 27 -6.681 -14.335 6.208 185 HB3 HIS 27 3HB HIS 27 -8.166 -13.436 5.968 186 HD1 HIS 27 HD1 HIS 27 -10.435 -14.661 6.564 187 HD2 HIS 27 HD2 HIS 27 -6.956 -16.802 7.518 188 HE1 HIS 27 HE1 HIS 27 -11.160 -16.542 8.128 189 H LYS 28 HN LYS 28 -8.465 -17.171 5.104 190 HA LYS 28 HA LYS 28 -6.139 -18.586 5.031 191 HB2 LYS 28 2HB LYS 28 -7.596 -20.586 4.763 192 HB3 LYS 28 3HB LYS 28 -8.120 -19.489 6.024 193 HG2 LYS 28 2HG LYS 28 -9.578 -18.426 4.037 194 HG3 LYS 28 3HG LYS 28 -9.368 -20.014 3.325 195 HD2 LYS 28 2HD LYS 28 -10.474 -19.496 6.127 196 HD3 LYS 28 3HD LYS 28 -11.455 -19.835 4.715 197 HE2 LYS 28 2HE LYS 28 -9.286 -21.724 5.745 198 HE3 LYS 28 3HE LYS 28 -10.973 -21.855 6.200 199 HZ1 LYS 28 1HZ LYS 28 -10.451 -21.708 3.337 200 HZ2 LYS 28 2HZ LYS 28 -9.968 -23.082 4.066 201 H LYS 29 HN LYS 29 -8.428 -17.899 2.326 202 HA LYS 29 HA LYS 29 -7.084 -19.475 0.442 203 HB2 LYS 29 2HB LYS 29 -8.898 -17.068 0.111 204 HB3 LYS 29 3HB LYS 29 -8.364 -18.094 -1.205 205 HG2 LYS 29 2HG LYS 29 -9.721 -19.284 1.243 206 HG3 LYS 29 3HG LYS 29 -10.668 -18.616 -0.072 207 HD2 LYS 29 2HD LYS 29 -8.495 -20.699 -0.547 208 HD3 LYS 29 3HD LYS 29 -10.145 -21.151 -0.169 209 HE2 LYS 29 2HE LYS 29 -9.194 -19.529 -2.573 210 HE3 LYS 29 3HE LYS 29 -9.893 -21.136 -2.597 211 HZ1 LYS 29 1HZ LYS 29 -11.937 -20.048 -1.574 212 HZ2 LYS 29 2HZ LYS 29 -11.278 -18.603 -1.938 213 H PHE 30 HN PHE 30 -7.050 -15.861 0.873 214 HA PHE 30 HA PHE 30 -5.209 -15.154 -0.901 215 HB2 PHE 30 2HB PHE 30 -6.424 -13.836 0.998 216 HB3 PHE 30 3HB PHE 30 -5.135 -14.355 2.067 217 HD1 PHE 30 HD1 PHE 30 -6.229 -11.712 0.147 218 HD2 PHE 30 HD2 PHE 30 -2.682 -13.888 0.981 219 HE1 PHE 30 HE1 PHE 30 -4.851 -9.736 -0.556 220 HE2 PHE 30 HE2 PHE 30 -1.304 -11.911 0.279 221 HZ PHE 30 HZ PHE 30 -2.405 -9.859 -0.482 222 H PHE 31 HN PHE 31 -4.266 -16.044 2.503 223 HA PHE 31 HA PHE 31 -1.553 -16.082 2.033 224 HB2 PHE 31 2HB PHE 31 -3.469 -17.574 3.905 225 HB3 PHE 31 3HB PHE 31 -1.737 -17.794 4.053 226 HD1 PHE 31 HD1 PHE 31 -4.091 -16.412 5.817 227 HD2 PHE 31 HD2 PHE 31 -0.744 -15.053 3.591 228 HE1 PHE 31 HE1 PHE 31 -3.956 -14.368 7.268 229 HE2 PHE 31 HE2 PHE 31 -0.608 -13.009 5.042 230 HZ PHE 31 HZ PHE 31 -2.216 -12.691 6.863 231 H LYS 32 HN LYS 32 -4.043 -18.604 1.487 232 HA LYS 32 HA LYS 32 -2.126 -20.655 1.002 233 HB2 LYS 32 2HB LYS 32 -4.492 -20.968 1.840 234 HB3 LYS 32 3HB LYS 32 -5.053 -20.590 0.224 235 HG2 LYS 32 2HG LYS 32 -3.213 -22.465 -0.436 236 HG3 LYS 32 3HG LYS 32 -3.544 -23.005 1.198 237 HD2 LYS 32 2HD LYS 32 -5.937 -23.221 0.716 238 HD3 LYS 32 3HD LYS 32 -5.739 -22.470 -0.855 239 HE2 LYS 32 2HE LYS 32 -4.707 -24.362 -1.793 240 HE3 LYS 32 3HE LYS 32 -4.097 -24.931 -0.252 241 HZ1 LYS 32 1HZ LYS 32 -5.979 -26.103 0.077 242 HZ2 LYS 32 2HZ LYS 32 -6.962 -24.860 -0.300 243 H ALA 33 HN ALA 33 -3.310 -17.928 -0.765 244 HA ALA 33 HA ALA 33 -2.936 -19.122 -3.355 245 HB1 ALA 33 1HB ALA 33 -3.002 -16.207 -3.271 246 HB2 ALA 33 2HB ALA 33 -4.156 -17.345 -4.006 247 HB3 ALA 33 3HB ALA 33 -4.306 -16.912 -2.286 248 H CYS 34 HN CYS 34 -1.355 -16.379 -1.554 249 HA CYS 34 HA CYS 34 0.823 -16.274 -3.295 250 HB2 CYS 34 2HB CYS 34 1.896 -14.954 -1.406 251 HB3 CYS 34 3HB CYS 34 0.377 -14.335 -2.023 252 HG CYS 34 HG CYS 34 -0.281 -16.559 0.086 253 H GLY 35 HN GLY 35 -0.099 -18.430 -0.702 254 HA2 GLY 35 1HA GLY 35 0.935 -20.478 -0.330 255 HA3 GLY 35 2HA GLY 35 2.436 -19.863 -0.994 256 H LEU 36 HN LEU 36 1.441 -17.329 0.870 257 HA LEU 36 HA LEU 36 3.376 -17.452 2.732 258 HB2 LEU 36 2HB LEU 36 0.723 -16.133 2.565 259 HB3 LEU 36 3HB LEU 36 1.497 -16.149 4.138 260 HG LEU 36 HG LEU 36 3.107 -15.256 1.776 261 HD11 LEU 36 1HD1 LEU 36 1.923 -12.939 2.891 262 HD12 LEU 36 2HD1 LEU 36 1.772 -13.572 1.234 263 HD13 LEU 36 3HD1 LEU 36 0.600 -14.058 2.483 264 HD21 LEU 36 1HD2 LEU 36 3.061 -13.975 4.488 265 HD22 LEU 36 2HD2 LEU 36 3.869 -15.545 4.261 266 HD23 LEU 36 3HD2 LEU 36 4.394 -14.129 3.319 267 H SER 37 HN SER 37 0.364 -19.302 2.650 268 HA SER 37 HA SER 37 0.314 -19.984 5.344 269 HB2 SER 37 2HB SER 37 -0.947 -20.945 2.820 270 HB3 SER 37 3HB SER 37 -0.861 -22.140 4.099 271 HG SER 37 HG SER 37 -2.651 -20.177 3.853 272 H GLY 38 HN GLY 38 1.700 -21.633 2.423 273 HA2 GLY 38 1HA GLY 38 2.915 -23.689 4.090 274 HA3 GLY 38 2HA GLY 38 2.912 -23.590 2.340 275 H LYS 39 HN LYS 39 3.646 -20.514 3.627 276 HA LYS 39 HA LYS 39 6.334 -20.705 2.719 277 HB2 LYS 39 2HB LYS 39 4.591 -18.548 3.877 278 HB3 LYS 39 3HB LYS 39 6.322 -18.297 3.773 279 HG2 LYS 39 2HG LYS 39 4.462 -19.003 1.456 280 HG3 LYS 39 3HG LYS 39 5.220 -17.448 1.736 281 HD2 LYS 39 2HD LYS 39 7.453 -19.004 1.737 282 HD3 LYS 39 3HD LYS 39 6.434 -19.999 0.716 283 HE2 LYS 39 2HE LYS 39 5.929 -17.609 -0.454 284 HE3 LYS 39 3HE LYS 39 7.505 -17.231 0.212 285 HZ1 LYS 39 1HZ LYS 39 6.938 -19.570 -1.531 286 HZ2 LYS 39 2HZ LYS 39 7.681 -18.204 -2.016 287 H SER 40 HN SER 40 7.858 -19.244 4.507 288 HA SER 40 HA SER 40 8.059 -21.190 6.642 289 HB2 SER 40 2HB SER 40 9.988 -19.226 5.376 290 HB3 SER 40 3HB SER 40 10.339 -19.903 6.954 291 HG SER 40 HG SER 40 11.274 -21.370 5.607 292 H THR 41 HN THR 41 8.456 -20.451 8.888 293 HA THR 41 HA THR 41 6.743 -18.304 9.596 294 HB THR 41 HB THR 41 8.495 -20.352 10.938 295 HG1 THR 41 HG1 THR 41 5.837 -19.173 11.348 296 HG21 THR 41 1HG2 THR 41 7.202 -18.059 12.487 297 HG22 THR 41 2HG2 THR 41 8.235 -19.359 13.126 298 HG23 THR 41 3HG2 THR 41 8.941 -18.079 12.110 299 H ASP 42 HN ASP 42 9.905 -18.328 8.361 300 HA ASP 42 HA ASP 42 10.929 -16.239 9.949 301 HB2 ASP 42 2HB ASP 42 11.691 -17.635 7.392 302 HB3 ASP 42 3HB ASP 42 12.425 -16.073 7.696 303 HD2 ASP 42 HD2 ASP 42 14.892 -17.827 8.921 304 H GLU 43 HN GLU 43 9.973 -16.436 6.427 305 HA GLU 43 HA GLU 43 9.999 -13.727 5.990 306 HB2 GLU 43 2HB GLU 43 9.034 -14.219 3.896 307 HB3 GLU 43 3HB GLU 43 9.847 -15.712 4.320 308 HG2 GLU 43 2HG GLU 43 7.710 -16.657 5.176 309 HG3 GLU 43 3HG GLU 43 6.885 -15.152 4.823 310 HE2 GLU 43 HE2 GLU 43 8.520 -17.791 3.383 311 H VAL 44 HN VAL 44 7.425 -15.883 7.252 312 HA VAL 44 HA VAL 44 5.234 -14.287 7.017 313 HB VAL 44 HB VAL 44 6.062 -16.056 9.326 314 HG11 VAL 44 1HG1 VAL 44 4.252 -14.798 10.150 315 HG12 VAL 44 2HG1 VAL 44 3.409 -14.812 8.583 316 HG13 VAL 44 3HG1 VAL 44 3.511 -16.301 9.552 317 HG21 VAL 44 1HG2 VAL 44 5.705 -16.771 6.695 318 HG22 VAL 44 2HG2 VAL 44 5.507 -17.854 8.093 319 HG23 VAL 44 3HG2 VAL 44 4.087 -17.051 7.383 320 H LYS 45 HN LYS 45 7.937 -14.065 9.374 321 HA LYS 45 HA LYS 45 6.700 -12.051 10.930 322 HB2 LYS 45 2HB LYS 45 9.556 -13.025 10.680 323 HB3 LYS 45 3HB LYS 45 9.073 -11.764 11.796 324 HG2 LYS 45 2HG LYS 45 7.865 -13.219 13.155 325 HG3 LYS 45 3HG LYS 45 7.426 -14.275 11.827 326 HD2 LYS 45 2HD LYS 45 9.729 -15.186 11.742 327 HD3 LYS 45 3HD LYS 45 10.244 -14.068 12.989 328 HE2 LYS 45 2HE LYS 45 8.001 -16.091 13.425 329 HE3 LYS 45 3HE LYS 45 9.680 -16.456 13.771 330 HZ1 LYS 45 1HZ LYS 45 8.700 -13.971 14.918 331 HZ2 LYS 45 2HZ LYS 45 8.044 -15.321 15.549 332 H LYS 46 HN LYS 46 8.675 -12.115 7.969 333 HA LYS 46 HA LYS 46 9.148 -9.286 8.052 334 HB2 LYS 46 2HB LYS 46 9.528 -11.027 5.628 335 HB3 LYS 46 3HB LYS 46 10.428 -9.608 6.125 336 HG2 LYS 46 2HG LYS 46 10.508 -12.385 7.377 337 HG3 LYS 46 3HG LYS 46 11.821 -11.534 6.589 338 HD2 LYS 46 2HD LYS 46 10.510 -10.822 9.250 339 HD3 LYS 46 3HD LYS 46 12.151 -11.383 9.001 340 HE2 LYS 46 2HE LYS 46 11.070 -8.776 7.834 341 HE3 LYS 46 3HE LYS 46 11.926 -8.869 9.360 342 HZ1 LYS 46 1HZ LYS 46 13.204 -8.461 7.099 343 HZ2 LYS 46 2HZ LYS 46 13.902 -9.316 8.297 344 H ALA 47 HN ALA 47 6.600 -11.444 7.049 345 HA ALA 47 HA ALA 47 5.516 -9.597 5.120 346 HB1 ALA 47 1HB ALA 47 4.512 -12.200 6.338 347 HB2 ALA 47 2HB ALA 47 3.668 -11.296 5.057 348 HB3 ALA 47 3HB ALA 47 5.279 -11.986 4.746 349 H PHE 48 HN PHE 48 5.166 -10.447 8.562 350 HA PHE 48 HA PHE 48 2.686 -9.249 8.990 351 HB2 PHE 48 2HB PHE 48 3.768 -10.749 10.615 352 HB3 PHE 48 3HB PHE 48 5.214 -9.759 10.653 353 HD1 PHE 48 HD1 PHE 48 1.848 -10.193 11.950 354 HD2 PHE 48 HD2 PHE 48 5.219 -7.616 11.872 355 HE1 PHE 48 HE1 PHE 48 0.954 -8.963 13.947 356 HE2 PHE 48 HE2 PHE 48 4.325 -6.386 13.869 357 HZ PHE 48 HZ PHE 48 2.203 -7.074 14.883 358 H ALA 49 HN ALA 49 5.867 -7.891 8.399 359 HA ALA 49 HA ALA 49 5.230 -5.372 9.652 360 HB1 ALA 49 1HB ALA 49 7.459 -4.811 9.191 361 HB2 ALA 49 2HB ALA 49 7.542 -6.574 9.423 362 HB3 ALA 49 3HB ALA 49 7.543 -5.892 7.779 363 H ILE 50 HN ILE 50 4.480 -6.988 6.728 364 HA ILE 50 HA ILE 50 4.577 -4.727 5.004 365 HB ILE 50 HB ILE 50 3.062 -7.321 4.704 366 HG12 ILE 50 2HG1 ILE 50 5.519 -7.594 5.195 367 HG13 ILE 50 3HG1 ILE 50 4.969 -8.275 3.677 368 HG21 ILE 50 1HG2 ILE 50 3.887 -6.469 2.210 369 HG22 ILE 50 2HG2 ILE 50 2.250 -6.310 2.889 370 HG23 ILE 50 3HG2 ILE 50 3.401 -4.959 3.016 371 HD11 ILE 50 1HD1 ILE 50 5.879 -6.437 2.403 372 HD12 ILE 50 2HD1 ILE 50 6.164 -5.479 3.875 373 HD13 ILE 50 3HD1 ILE 50 7.141 -6.932 3.556 374 H ILE 51 HN ILE 51 1.969 -6.463 6.824 375 HA ILE 51 HA ILE 51 -0.075 -4.746 5.967 376 HB ILE 51 HB ILE 51 0.016 -6.330 8.531 377 HG12 ILE 51 2HG1 ILE 51 -1.227 -7.955 6.705 378 HG13 ILE 51 3HG1 ILE 51 0.047 -7.253 5.728 379 HG21 ILE 51 1HG2 ILE 51 -1.946 -4.675 7.404 380 HG22 ILE 51 2HG2 ILE 51 -2.477 -6.340 7.065 381 HG23 ILE 51 3HG2 ILE 51 -2.139 -5.837 8.739 382 HD11 ILE 51 1HD1 ILE 51 1.389 -7.823 8.097 383 HD12 ILE 51 2HD1 ILE 51 0.237 -9.174 7.965 384 HD13 ILE 51 3HD1 ILE 51 1.386 -8.852 6.644 385 H ASP 52 HN ASP 52 1.559 -4.924 9.215 386 HA ASP 52 HA ASP 52 0.526 -2.808 10.381 387 HB2 ASP 52 2HB ASP 52 3.483 -3.559 10.266 388 HB3 ASP 52 3HB ASP 52 2.832 -2.417 11.425 389 HD2 ASP 52 HD2 ASP 52 0.841 -5.422 11.038 390 H GLN 53 HN GLN 53 0.032 -0.856 9.321 391 HA GLN 53 HA GLN 53 1.994 0.231 7.516 392 HB2 GLN 53 2HB GLN 53 -0.745 1.355 8.235 393 HB3 GLN 53 3HB GLN 53 0.236 1.786 6.849 394 HG2 GLN 53 2HG GLN 53 0.106 -0.743 6.202 395 HG3 GLN 53 3HG GLN 53 -1.186 -0.850 7.381 396 HE21 GLN 53 1HE2 GLN 53 -3.069 0.437 7.125 397 HE22 GLN 53 2HE2 GLN 53 -3.586 0.986 5.566 398 H ASP 54 HN ASP 54 1.111 0.437 10.743 399 HA ASP 54 HA ASP 54 2.460 3.099 11.067 400 HB2 ASP 54 2HB ASP 54 1.040 3.191 13.166 401 HB3 ASP 54 3HB ASP 54 0.116 3.198 11.666 402 H LYS 55 HN LYS 55 2.370 -0.358 11.993 403 HA LYS 55 HA LYS 55 3.832 -1.573 13.124 404 HB2 LYS 55 2HB LYS 55 5.610 0.813 13.600 405 HB3 LYS 55 3HB LYS 55 6.052 -0.875 13.440 406 HG2 LYS 55 2HG LYS 55 5.078 0.997 11.241 407 HG3 LYS 55 3HG LYS 55 6.647 0.226 11.364 408 HD2 LYS 55 2HD LYS 55 5.199 -2.022 11.355 409 HD3 LYS 55 3HD LYS 55 3.987 -0.998 10.611 410 HE2 LYS 55 2HE LYS 55 5.266 -1.969 8.807 411 HE3 LYS 55 3HE LYS 55 5.739 -0.285 8.901 412 HZ1 LYS 55 1HZ LYS 55 7.283 -2.316 10.384 413 HZ2 LYS 55 2HZ LYS 55 7.579 -2.071 8.802 414 H SER 56 HN SER 56 1.529 -0.254 14.317 415 HA SER 56 HA SER 56 2.031 0.968 16.687 416 HB2 SER 56 2HB SER 56 -0.196 -0.447 17.330 417 HB3 SER 56 3HB SER 56 -0.225 0.965 16.293 418 HG SER 56 HG SER 56 -0.564 -1.766 15.642 419 H GLY 57 HN GLY 57 2.576 -2.368 15.738 420 HA2 GLY 57 1HA GLY 57 4.208 -3.497 17.197 421 HA3 GLY 57 2HA GLY 57 3.184 -3.062 18.551 422 H PHE 58 HN PHE 58 0.704 -3.489 16.727 423 HA PHE 58 HA PHE 58 0.825 -6.374 16.400 424 HB2 PHE 58 2HB PHE 58 -1.293 -4.845 18.025 425 HB3 PHE 58 3HB PHE 58 -1.253 -6.581 17.794 426 HD1 PHE 58 HD1 PHE 58 1.387 -7.430 18.388 427 HD2 PHE 58 HD2 PHE 58 -0.821 -4.295 20.206 428 HE1 PHE 58 HE1 PHE 58 2.755 -7.678 20.477 429 HE2 PHE 58 HE2 PHE 58 0.548 -4.543 22.295 430 HZ PHE 58 HZ PHE 58 2.319 -6.231 22.406 431 H ILE 59 HN ILE 59 -1.818 -6.923 15.853 432 HA ILE 59 HA ILE 59 -2.478 -4.991 13.741 433 HB ILE 59 HB ILE 59 -2.230 -7.974 13.634 434 HG12 ILE 59 2HG1 ILE 59 -1.455 -5.875 11.598 435 HG13 ILE 59 3HG1 ILE 59 -0.399 -6.352 12.912 436 HG21 ILE 59 1HG2 ILE 59 -4.185 -8.155 12.581 437 HG22 ILE 59 2HG2 ILE 59 -4.377 -6.390 12.452 438 HG23 ILE 59 3HG2 ILE 59 -3.422 -7.273 11.236 439 HD11 ILE 59 1HD1 ILE 59 -0.015 -7.609 10.738 440 HD12 ILE 59 2HD1 ILE 59 -0.333 -8.655 12.143 441 HD13 ILE 59 3HD1 ILE 59 -1.621 -8.346 10.954 442 H GLU 60 HN GLU 60 -3.851 -4.020 15.447 443 HA GLU 60 HA GLU 60 -5.753 -5.356 16.838 444 HB2 GLU 60 2HB GLU 60 -5.685 -2.551 15.681 445 HB3 GLU 60 3HB GLU 60 -7.046 -3.093 16.642 446 HG2 GLU 60 2HG GLU 60 -5.682 -2.178 18.305 447 HG3 GLU 60 3HG GLU 60 -5.187 -3.857 18.371 448 HE2 GLU 60 HE2 GLU 60 -2.671 -1.480 16.314 449 H GLU 61 HN GLU 61 -8.250 -5.160 16.482 450 HA GLU 61 HA GLU 61 -8.886 -6.664 14.274 451 HB2 GLU 61 2HB GLU 61 -10.278 -6.634 16.281 452 HB3 GLU 61 3HB GLU 61 -10.635 -4.931 16.071 453 HG2 GLU 61 2HG GLU 61 -11.942 -5.344 14.080 454 HG3 GLU 61 3HG GLU 61 -11.345 -6.985 13.937 455 HE2 GLU 61 HE2 GLU 61 -13.586 -6.116 17.108 456 H GLU 62 HN GLU 62 -8.721 -3.143 14.743 457 HA GLU 62 HA GLU 62 -10.221 -2.523 12.443 458 HB2 GLU 62 2HB GLU 62 -8.177 -0.816 13.931 459 HB3 GLU 62 3HB GLU 62 -9.384 -0.223 12.808 460 HG2 GLU 62 2HG GLU 62 -11.049 -1.548 14.471 461 HG3 GLU 62 3HG GLU 62 -9.746 -1.271 15.609 462 HE2 GLU 62 HE2 GLU 62 -11.274 1.178 16.544 463 H GLU 63 HN GLU 63 -7.028 -3.734 12.972 464 HA GLU 63 HA GLU 63 -6.060 -2.597 10.498 465 HB2 GLU 63 2HB GLU 63 -4.809 -4.013 12.842 466 HB3 GLU 63 3HB GLU 63 -3.982 -4.095 11.299 467 HG2 GLU 63 2HG GLU 63 -4.329 -1.489 11.220 468 HG3 GLU 63 3HG GLU 63 -4.662 -1.627 12.935 469 H LEU 64 HN LEU 64 -7.537 -5.482 11.791 470 HA LEU 64 HA LEU 64 -6.459 -7.402 10.088 471 HB2 LEU 64 2HB LEU 64 -8.916 -7.112 11.742 472 HB3 LEU 64 3HB LEU 64 -8.901 -8.376 10.529 473 HG LEU 64 HG LEU 64 -6.905 -8.048 12.786 474 HD11 LEU 64 1HD1 LEU 64 -9.000 -10.197 12.379 475 HD12 LEU 64 2HD1 LEU 64 -7.908 -9.996 13.770 476 HD13 LEU 64 3HD1 LEU 64 -9.183 -8.794 13.460 477 HD21 LEU 64 1HD2 LEU 64 -6.707 -10.617 11.642 478 HD22 LEU 64 2HD2 LEU 64 -6.682 -9.460 10.290 479 HD23 LEU 64 3HD2 LEU 64 -5.504 -9.305 11.616 480 H LYS 65 HN LYS 65 -9.615 -5.615 9.778 481 HA LYS 65 HA LYS 65 -10.166 -6.516 7.222 482 HB2 LYS 65 2HB LYS 65 -11.954 -5.090 7.297 483 HB3 LYS 65 3HB LYS 65 -11.579 -5.197 9.006 484 HG2 LYS 65 2HG LYS 65 -10.284 -3.091 8.895 485 HG3 LYS 65 3HG LYS 65 -10.523 -3.002 7.161 486 HD2 LYS 65 2HD LYS 65 -12.104 -1.553 8.548 487 HD3 LYS 65 3HD LYS 65 -12.887 -2.613 7.392 488 HE2 LYS 65 2HE LYS 65 -12.448 -3.468 10.282 489 HE3 LYS 65 3HE LYS 65 -13.856 -2.538 9.809 490 HZ1 LYS 65 1HZ LYS 65 -14.045 -5.077 9.744 491 HZ2 LYS 65 2HZ LYS 65 -14.604 -4.283 8.437 492 H LEU 66 HN LEU 66 -7.719 -4.328 8.354 493 HA LEU 66 HA LEU 66 -7.460 -3.091 5.733 494 HB2 LEU 66 2HB LEU 66 -5.951 -2.626 8.310 495 HB3 LEU 66 3HB LEU 66 -5.753 -1.712 6.828 496 HG LEU 66 HG LEU 66 -8.268 -1.837 8.515 497 HD11 LEU 66 1HD1 LEU 66 -6.737 -0.534 9.715 498 HD12 LEU 66 2HD1 LEU 66 -6.076 0.216 8.242 499 HD13 LEU 66 3HD1 LEU 66 -7.708 0.647 8.804 500 HD21 LEU 66 1HD2 LEU 66 -8.332 0.324 6.677 501 HD22 LEU 66 2HD2 LEU 66 -7.928 -1.147 5.760 502 HD23 LEU 66 3HD2 LEU 66 -9.400 -1.098 6.760 503 H PHE 67 HN PHE 67 -7.066 -6.023 6.164 504 HA PHE 67 HA PHE 67 -4.235 -6.422 6.091 505 HB2 PHE 67 2HB PHE 67 -5.664 -8.170 7.004 506 HB3 PHE 67 3HB PHE 67 -6.793 -8.046 5.669 507 HD1 PHE 67 HD1 PHE 67 -3.387 -9.184 6.572 508 HD2 PHE 67 HD2 PHE 67 -6.547 -9.390 3.747 509 HE1 PHE 67 HE1 PHE 67 -2.230 -11.089 5.416 510 HE2 PHE 67 HE2 PHE 67 -5.391 -11.295 2.592 511 HZ PHE 67 HZ PHE 67 -3.246 -12.122 3.440 512 H LEU 68 HN LEU 68 -6.166 -4.925 3.916 513 HA LEU 68 HA LEU 68 -4.963 -6.277 1.608 514 HB2 LEU 68 2HB LEU 68 -7.456 -4.636 1.965 515 HB3 LEU 68 3HB LEU 68 -6.727 -4.844 0.384 516 HG LEU 68 HG LEU 68 -7.958 -6.939 2.171 517 HD11 LEU 68 1HD1 LEU 68 -9.012 -7.408 -0.217 518 HD12 LEU 68 2HD1 LEU 68 -9.660 -6.156 0.871 519 HD13 LEU 68 3HD1 LEU 68 -8.583 -5.699 -0.471 520 HD21 LEU 68 1HD2 LEU 68 -7.225 -8.601 0.405 521 HD22 LEU 68 2HD2 LEU 68 -6.071 -7.365 -0.151 522 HD23 LEU 68 3HD2 LEU 68 -5.957 -8.008 1.505 523 H GLN 69 HN GLN 69 -4.731 -3.561 3.699 524 HA GLN 69 HA GLN 69 -3.723 -1.810 1.677 525 HB2 GLN 69 2HB GLN 69 -4.007 -1.615 4.696 526 HB3 GLN 69 3HB GLN 69 -3.172 -0.380 3.775 527 HG2 GLN 69 2HG GLN 69 -5.147 0.180 2.521 528 HG3 GLN 69 3HG GLN 69 -5.973 -1.287 3.007 529 HE21 GLN 69 1HE2 GLN 69 -7.506 0.645 3.414 530 HE22 GLN 69 2HE2 GLN 69 -7.556 1.250 5.037 531 H ASN 70 HN ASN 70 -2.509 -4.562 2.989 532 HA ASN 70 HA ASN 70 0.054 -3.624 3.763 533 HB2 ASN 70 2HB ASN 70 -0.402 -6.494 2.944 534 HB3 ASN 70 3HB ASN 70 0.490 -5.870 4.317 535 HD21 ASN 70 1HD2 ASN 70 -1.548 -7.936 4.189 536 HD22 ASN 70 2HD2 ASN 70 -2.832 -7.475 5.256 537 H PHE 71 HN PHE 71 -1.399 -5.464 0.979 538 HA PHE 71 HA PHE 71 1.085 -5.313 -0.482 539 HB2 PHE 71 2HB PHE 71 -1.744 -6.270 -1.229 540 HB3 PHE 71 3HB PHE 71 -0.287 -6.639 -2.131 541 HD1 PHE 71 HD1 PHE 71 1.173 -8.401 -1.451 542 HD2 PHE 71 HD2 PHE 71 -2.096 -7.283 1.014 543 HE1 PHE 71 HE1 PHE 71 1.496 -10.478 -0.079 544 HE2 PHE 71 HE2 PHE 71 -1.772 -9.360 2.385 545 HZ PHE 71 HZ PHE 71 0.020 -10.933 1.822 546 H LYS 72 HN LYS 72 -0.775 -2.887 0.269 547 HA LYS 72 HA LYS 72 -0.229 -1.382 -1.994 548 HB2 LYS 72 2HB LYS 72 -2.221 -3.017 -2.707 549 HB3 LYS 72 3HB LYS 72 -3.189 -1.780 -1.929 550 HG2 LYS 72 2HG LYS 72 -2.332 -0.049 -3.390 551 HG3 LYS 72 3HG LYS 72 -1.055 -1.088 -3.991 552 HD2 LYS 72 2HD LYS 72 -2.498 -2.321 -5.365 553 HD3 LYS 72 3HD LYS 72 -3.895 -2.030 -4.347 554 HE2 LYS 72 2HE LYS 72 -4.037 -0.768 -6.497 555 HE3 LYS 72 3HE LYS 72 -4.037 0.307 -5.113 556 HZ1 LYS 72 1HZ LYS 72 -2.038 1.158 -5.717 557 HZ2 LYS 72 2HZ LYS 72 -1.396 -0.277 -6.141 558 H ALA 73 HN ALA 73 -0.578 0.830 -1.573 559 HA ALA 73 HA ALA 73 -1.413 1.335 1.177 560 HB1 ALA 73 1HB ALA 73 0.529 2.456 -0.732 561 HB2 ALA 73 2HB ALA 73 -0.418 3.698 0.122 562 HB3 ALA 73 3HB ALA 73 0.521 2.501 1.047 563 H GLY 74 HN GLY 74 -3.341 0.679 -1.014 564 HA2 GLY 74 1HA GLY 74 -5.172 2.829 -0.528 565 HA3 GLY 74 2HA GLY 74 -4.585 2.818 -2.179 566 H ALA 75 HN ALA 75 -4.881 -0.158 -0.218 567 HA ALA 75 HA ALA 75 -6.709 -1.207 -2.201 568 HB1 ALA 75 1HB ALA 75 -6.107 -2.950 0.055 569 HB2 ALA 75 2HB ALA 75 -5.714 -3.154 -1.669 570 HB3 ALA 75 3HB ALA 75 -4.622 -2.228 -0.611 571 H ARG 76 HN ARG 76 -8.737 -2.308 -1.551 572 HA ARG 76 HA ARG 76 -10.224 -0.618 0.097 573 HB2 ARG 76 2HB ARG 76 -12.100 -2.073 -0.439 574 HB3 ARG 76 3HB ARG 76 -11.103 -1.959 -1.877 575 HG2 ARG 76 2HG ARG 76 -11.266 -4.252 -1.841 576 HG3 ARG 76 3HG ARG 76 -9.923 -4.123 -0.723 577 HD2 ARG 76 2HD ARG 76 -11.287 -4.479 1.178 578 HD3 ARG 76 3HD ARG 76 -12.744 -3.947 0.363 579 HE ARG 76 HE ARG 76 -11.526 -6.370 -0.785 580 HH11 ARG 76 HH1 ARG 76 -14.107 -8.435 0.284 581 HH21 ARG 76 1HH2 ARG 76 -14.797 -6.556 1.602 582 HH22 ARG 76 2HH2 ARG 76 -13.879 -5.089 1.534 583 H ALA 77 HN ALA 77 -11.804 -1.795 1.841 584 HA ALA 77 HA ALA 77 -10.024 -3.348 3.592 585 HB1 ALA 77 1HB ALA 77 -12.056 -1.170 4.111 586 HB2 ALA 77 2HB ALA 77 -11.624 -2.334 5.386 587 HB3 ALA 77 3HB ALA 77 -10.371 -1.291 4.672 588 H LEU 78 HN LEU 78 -10.905 -5.164 4.687 589 HA LEU 78 HA LEU 78 -12.871 -6.545 3.238 590 HB2 LEU 78 2HB LEU 78 -11.606 -7.031 5.934 591 HB3 LEU 78 3HB LEU 78 -12.715 -8.150 5.167 592 HG LEU 78 HG LEU 78 -10.605 -9.007 4.675 593 HD11 LEU 78 1HD1 LEU 78 -11.302 -7.319 2.256 594 HD12 LEU 78 2HD1 LEU 78 -10.332 -8.811 2.270 595 HD13 LEU 78 3HD1 LEU 78 -12.060 -8.869 2.693 596 HD21 LEU 78 1HD2 LEU 78 -8.665 -7.788 4.041 597 HD22 LEU 78 2HD2 LEU 78 -9.602 -6.296 3.782 598 HD23 LEU 78 3HD2 LEU 78 -9.386 -6.937 5.428 599 H SER 79 HN SER 79 -14.796 -7.624 4.610 600 HA SER 79 HA SER 79 -16.371 -5.353 5.384 601 HB2 SER 79 2HB SER 79 -17.277 -7.076 3.828 602 HB3 SER 79 3HB SER 79 -17.114 -8.297 5.075 603 HG SER 79 HG SER 79 -19.300 -7.319 4.842 604 H ASP 80 HN ASP 80 -18.180 -6.422 7.232 605 HA ASP 80 HA ASP 80 -16.596 -6.332 9.565 606 HB2 ASP 80 2HB ASP 80 -18.923 -6.834 10.646 607 HB3 ASP 80 3HB ASP 80 -18.704 -5.311 9.808 608 HD2 ASP 80 HD2 ASP 80 -21.837 -6.424 8.776 609 H ALA 81 HN ALA 81 -18.284 -8.799 7.599 610 HA ALA 81 HA ALA 81 -18.069 -10.856 9.579 611 HB1 ALA 81 1HB ALA 81 -18.602 -11.124 6.598 612 HB2 ALA 81 2HB ALA 81 -19.075 -12.244 7.899 613 HB3 ALA 81 3HB ALA 81 -19.850 -10.647 7.774 614 H GLU 82 HN GLU 82 -16.456 -10.114 6.407 615 HA GLU 82 HA GLU 82 -14.740 -12.190 6.352 616 HB2 GLU 82 2HB GLU 82 -14.321 -9.301 5.484 617 HB3 GLU 82 3HB GLU 82 -13.196 -10.582 5.081 618 HG2 GLU 82 2HG GLU 82 -14.680 -11.631 3.617 619 HG3 GLU 82 3HG GLU 82 -16.100 -11.095 4.493 620 HE2 GLU 82 HE2 GLU 82 -14.051 -8.400 2.416 621 H THR 83 HN THR 83 -14.111 -8.938 7.858 622 HA THR 83 HA THR 83 -11.596 -9.539 8.870 623 HB THR 83 HB THR 83 -13.755 -7.684 10.004 624 HG1 THR 83 HG1 THR 83 -11.743 -7.581 7.876 625 HG21 THR 83 1HG2 THR 83 -11.600 -7.948 11.366 626 HG22 THR 83 2HG2 THR 83 -10.710 -7.392 9.929 627 HG23 THR 83 3HG2 THR 83 -11.871 -6.308 10.731 628 H LYS 84 HN LYS 84 -14.858 -10.218 10.191 629 HA LYS 84 HA LYS 84 -14.035 -10.957 12.740 630 HB2 LYS 84 2HB LYS 84 -16.429 -11.323 11.035 631 HB3 LYS 84 3HB LYS 84 -16.230 -12.511 12.307 632 HG2 LYS 84 2HG LYS 84 -16.026 -9.507 12.805 633 HG3 LYS 84 3HG LYS 84 -17.531 -10.393 12.949 634 HD2 LYS 84 2HD LYS 84 -14.996 -11.126 14.486 635 HD3 LYS 84 3HD LYS 84 -16.249 -10.087 15.134 636 HE2 LYS 84 2HE LYS 84 -16.385 -13.043 14.494 637 HE3 LYS 84 3HE LYS 84 -16.846 -12.219 15.971 638 HZ1 LYS 84 1HZ LYS 84 -18.884 -12.619 14.963 639 HZ2 LYS 84 2HZ LYS 84 -18.607 -11.107 14.424 640 H ALA 85 HN ALA 85 -14.651 -13.037 9.822 641 HA ALA 85 HA ALA 85 -13.741 -15.386 11.030 642 HB1 ALA 85 1HB ALA 85 -13.871 -16.304 8.829 643 HB2 ALA 85 2HB ALA 85 -15.150 -15.069 8.918 644 HB3 ALA 85 3HB ALA 85 -13.626 -14.712 8.071 645 H PHE 86 HN PHE 86 -12.069 -12.541 9.993 646 HA PHE 86 HA PHE 86 -9.600 -13.941 9.458 647 HB2 PHE 86 2HB PHE 86 -10.762 -11.609 8.577 648 HB3 PHE 86 3HB PHE 86 -9.850 -10.954 9.922 649 HD1 PHE 86 HD1 PHE 86 -7.697 -13.343 9.334 650 HD2 PHE 86 HD2 PHE 86 -9.347 -10.088 7.169 651 HE1 PHE 86 HE1 PHE 86 -5.640 -13.256 7.897 652 HE2 PHE 86 HE2 PHE 86 -7.290 -10.001 5.732 653 HZ PHE 86 HZ PHE 86 -5.462 -11.585 6.114 654 H LEU 87 HN LEU 87 -11.185 -12.079 12.066 655 HA LEU 87 HA LEU 87 -8.804 -11.775 13.590 656 HB2 LEU 87 2HB LEU 87 -10.608 -10.206 13.795 657 HB3 LEU 87 3HB LEU 87 -11.735 -11.472 14.243 658 HG LEU 87 HG LEU 87 -10.270 -11.865 16.301 659 HD11 LEU 87 1HD1 LEU 87 -8.254 -10.744 15.591 660 HD12 LEU 87 2HD1 LEU 87 -9.125 -9.201 15.420 661 HD13 LEU 87 3HD1 LEU 87 -8.909 -9.927 17.031 662 HD21 LEU 87 1HD2 LEU 87 -11.189 -9.643 17.365 663 HD22 LEU 87 2HD2 LEU 87 -12.016 -9.486 15.797 664 HD23 LEU 87 3HD2 LEU 87 -12.298 -10.921 16.811 665 H LYS 88 HN LYS 88 -11.796 -13.765 14.168 666 HA LYS 88 HA LYS 88 -10.683 -15.296 16.182 667 HB2 LYS 88 2HB LYS 88 -13.035 -15.496 14.368 668 HB3 LYS 88 3HB LYS 88 -12.534 -16.973 15.168 669 HG2 LYS 88 2HG LYS 88 -12.892 -16.085 17.335 670 HG3 LYS 88 3HG LYS 88 -12.764 -14.425 16.789 671 HD2 LYS 88 2HD LYS 88 -15.110 -14.885 17.252 672 HD3 LYS 88 3HD LYS 88 -14.926 -14.706 15.518 673 HE2 LYS 88 2HE LYS 88 -14.898 -17.158 15.219 674 HE3 LYS 88 3HE LYS 88 -14.927 -17.403 16.954 675 HZ1 LYS 88 1HZ LYS 88 -17.119 -16.890 15.226 676 HZ2 LYS 88 2HZ LYS 88 -17.154 -17.337 16.791 677 H ALA 89 HN ALA 89 -10.035 -15.257 12.770 678 HA ALA 89 HA ALA 89 -9.311 -17.943 12.419 679 HB1 ALA 89 1HB ALA 89 -9.125 -15.382 10.995 680 HB2 ALA 89 2HB ALA 89 -7.725 -16.440 10.693 681 HB3 ALA 89 3HB ALA 89 -9.373 -17.025 10.357 682 H GLY 90 HN GLY 90 -7.333 -14.986 13.168 683 HA2 GLY 90 1HA GLY 90 -5.081 -16.729 13.868 684 HA3 GLY 90 2HA GLY 90 -5.040 -14.997 13.604 685 H ASP 91 HN ASP 91 -6.921 -13.889 15.218 686 HA ASP 91 HA ASP 91 -5.754 -13.841 17.650 687 HB2 ASP 91 2HB ASP 91 -7.770 -12.471 16.473 688 HB3 ASP 91 3HB ASP 91 -8.744 -13.486 17.519 689 HD2 ASP 91 HD2 ASP 91 -6.472 -10.788 17.667 690 H SER 92 HN SER 92 -5.717 -15.304 19.371 691 HA SER 92 HA SER 92 -7.354 -17.633 19.155 692 HB2 SER 92 2HB SER 92 -4.865 -17.476 19.921 693 HB3 SER 92 3HB SER 92 -5.505 -16.950 21.466 694 HG SER 92 HG SER 92 -6.800 -19.226 20.495 695 H ASP 93 HN ASP 93 -6.797 -15.074 21.547 696 HA ASP 93 HA ASP 93 -9.237 -15.805 23.056 697 HB2 ASP 93 2HB ASP 93 -8.361 -14.134 24.629 698 HB3 ASP 93 3HB ASP 93 -7.063 -15.221 24.140 699 H GLY 94 HN GLY 94 -8.880 -14.235 20.162 700 HA2 GLY 94 1HA GLY 94 -9.809 -12.408 19.178 701 HA3 GLY 94 2HA GLY 94 -11.249 -13.028 19.962 702 H ASP 95 HN ASP 95 -8.254 -11.364 21.194 703 HA ASP 95 HA ASP 95 -9.843 -9.859 22.992 704 HB2 ASP 95 2HB ASP 95 -7.554 -8.677 23.368 705 HB3 ASP 95 3HB ASP 95 -7.685 -10.368 23.809 706 HD2 ASP 95 HD2 ASP 95 -4.644 -9.621 22.269 707 H GLY 96 HN GLY 96 -8.593 -9.550 19.719 708 HA2 GLY 96 1HA GLY 96 -9.695 -7.846 18.370 709 HA3 GLY 96 2HA GLY 96 -9.405 -6.704 19.667 710 H LYS 97 HN LYS 97 -6.750 -8.797 19.596 711 HA LYS 97 HA LYS 97 -5.344 -7.148 17.622 712 HB2 LYS 97 2HB LYS 97 -4.065 -7.912 20.244 713 HB3 LYS 97 3HB LYS 97 -3.545 -6.716 19.073 714 HG2 LYS 97 2HG LYS 97 -5.838 -5.535 19.582 715 HG3 LYS 97 3HG LYS 97 -5.887 -6.559 21.003 716 HD2 LYS 97 2HD LYS 97 -3.460 -4.836 20.351 717 HD3 LYS 97 3HD LYS 97 -4.815 -4.210 21.269 718 HE2 LYS 97 2HE LYS 97 -4.515 -5.928 23.002 719 HE3 LYS 97 3HE LYS 97 -3.287 -6.738 22.049 720 HZ1 LYS 97 1HZ LYS 97 -2.794 -3.921 22.619 721 HZ2 LYS 97 2HZ LYS 97 -2.689 -4.927 23.896 722 H ILE 98 HN ILE 98 -3.709 -8.227 16.450 723 HA ILE 98 HA ILE 98 -3.483 -11.092 17.035 724 HB ILE 98 HB ILE 98 -4.313 -9.739 14.508 725 HG12 ILE 98 2HG1 ILE 98 -5.166 -12.161 16.092 726 HG13 ILE 98 3HG1 ILE 98 -6.090 -10.722 15.707 727 HG21 ILE 98 1HG2 ILE 98 -3.652 -11.738 13.211 728 HG22 ILE 98 2HG2 ILE 98 -2.259 -10.822 13.834 729 HG23 ILE 98 3HG2 ILE 98 -2.756 -12.336 14.628 730 HD11 ILE 98 1HD1 ILE 98 -5.677 -11.454 13.192 731 HD12 ILE 98 2HD1 ILE 98 -5.367 -13.049 13.918 732 HD13 ILE 98 3HD1 ILE 98 -6.943 -12.256 14.152 733 H GLY 99 HN GLY 99 -1.427 -11.197 17.825 734 HA2 GLY 99 1HA GLY 99 0.650 -9.461 16.928 735 HA3 GLY 99 2HA GLY 99 0.798 -10.844 17.993 736 H ILE 100 HN ILE 100 2.846 -11.243 16.753 737 HA ILE 100 HA ILE 100 2.518 -12.094 14.021 738 HB ILE 100 HB ILE 100 4.515 -10.869 15.255 739 HG12 ILE 100 2HG1 ILE 100 4.196 -11.452 12.804 740 HG13 ILE 100 3HG1 ILE 100 5.848 -11.317 13.371 741 HG21 ILE 100 1HG2 ILE 100 4.936 -12.702 16.837 742 HG22 ILE 100 2HG2 ILE 100 5.299 -13.789 15.475 743 HG23 ILE 100 3HG2 ILE 100 6.342 -12.382 15.793 744 HD11 ILE 100 1HD1 ILE 100 4.308 -13.937 13.074 745 HD12 ILE 100 2HD1 ILE 100 5.541 -13.327 11.944 746 HD13 ILE 100 3HD1 ILE 100 6.000 -13.782 13.603 747 H ASP 101 HN ASP 101 2.933 -13.516 17.285 748 HA ASP 101 HA ASP 101 3.452 -16.091 16.451 749 HB2 ASP 101 2HB ASP 101 1.749 -15.550 18.890 750 HB3 ASP 101 3HB ASP 101 3.048 -16.711 18.698 751 HD2 ASP 101 HD2 ASP 101 5.017 -15.577 20.194 752 H GLU 102 HN GLU 102 0.483 -14.144 16.672 753 HA GLU 102 HA GLU 102 -1.169 -16.481 16.317 754 HB2 GLU 102 2HB GLU 102 -1.628 -13.603 17.036 755 HB3 GLU 102 3HB GLU 102 -2.941 -14.437 16.230 756 HG2 GLU 102 2HG GLU 102 -3.283 -15.923 17.996 757 HG3 GLU 102 3HG GLU 102 -1.603 -15.893 18.495 758 H PHE 103 HN PHE 103 -0.194 -13.453 14.610 759 HA PHE 103 HA PHE 103 -1.822 -13.828 12.375 760 HB2 PHE 103 2HB PHE 103 -0.732 -11.689 12.876 761 HB3 PHE 103 3HB PHE 103 0.845 -12.445 12.984 762 HD1 PHE 103 HD1 PHE 103 2.220 -12.666 11.076 763 HD2 PHE 103 HD2 PHE 103 -1.833 -11.495 10.613 764 HE1 PHE 103 HE1 PHE 103 2.660 -12.092 8.672 765 HE2 PHE 103 HE2 PHE 103 -1.393 -10.922 8.210 766 HZ PHE 103 HZ PHE 103 0.848 -11.227 7.268 767 H ALA 104 HN ALA 104 1.283 -15.246 13.349 768 HA ALA 104 HA ALA 104 1.781 -16.239 10.673 769 HB1 ALA 104 1HB ALA 104 3.683 -15.462 11.946 770 HB2 ALA 104 2HB ALA 104 3.238 -16.484 13.333 771 HB3 ALA 104 3HB ALA 104 3.801 -17.233 11.819 772 H ALA 105 HN ALA 105 -0.125 -17.067 13.380 773 HA ALA 105 HA ALA 105 0.225 -19.905 13.198 774 HB1 ALA 105 1HB ALA 105 -0.738 -19.754 15.220 775 HB2 ALA 105 2HB ALA 105 -0.956 -18.004 14.977 776 HB3 ALA 105 3HB ALA 105 -2.233 -19.138 14.476 777 H MET 106 HN MET 106 -2.386 -17.537 12.311 778 HA MET 106 HA MET 106 -4.104 -19.314 11.195 779 HB2 MET 106 2HB MET 106 -4.849 -17.296 9.805 780 HB3 MET 106 3HB MET 106 -4.690 -16.959 11.517 781 HG2 MET 106 2HG MET 106 -2.191 -16.284 10.842 782 HG3 MET 106 3HG MET 106 -2.885 -16.104 9.243 783 HE1 MET 106 1HE MET 106 -5.784 -13.576 9.866 784 HE2 MET 106 2HE MET 106 -5.204 -14.960 8.909 785 HE3 MET 106 3HE MET 106 -6.045 -15.236 10.453 786 H ILE 107 HN ILE 107 -0.936 -18.432 10.085 787 HA ILE 107 HA ILE 107 -1.554 -19.470 7.412 788 HB ILE 107 HB ILE 107 0.895 -18.457 7.117 789 HG12 ILE 107 2HG1 ILE 107 -0.333 -16.790 9.332 790 HG13 ILE 107 3HG1 ILE 107 1.133 -17.744 9.439 791 HG21 ILE 107 1HG2 ILE 107 -0.090 -16.776 5.889 792 HG22 ILE 107 2HG2 ILE 107 -1.425 -17.945 6.022 793 HG23 ILE 107 3HG2 ILE 107 -1.388 -16.513 7.078 794 HD11 ILE 107 1HD1 ILE 107 1.440 -15.228 8.993 795 HD12 ILE 107 2HD1 ILE 107 2.306 -16.329 7.893 796 HD13 ILE 107 3HD1 ILE 107 0.800 -15.543 7.362 797 H LYS 108 HN LYS 108 0.414 -19.845 10.366 798 HA LYS 108 HA LYS 108 2.053 -21.890 9.263 799 HB2 LYS 108 2HB LYS 108 2.927 -20.573 11.049 800 HB3 LYS 108 3HB LYS 108 1.541 -20.892 12.071 801 HG2 LYS 108 2HG LYS 108 2.213 -23.092 12.549 802 HG3 LYS 108 3HG LYS 108 3.119 -23.256 11.058 803 HD2 LYS 108 2HD LYS 108 4.914 -21.837 11.892 804 HD3 LYS 108 3HD LYS 108 3.969 -21.356 13.287 805 HE2 LYS 108 2HE LYS 108 3.929 -23.832 13.982 806 HE3 LYS 108 3HE LYS 108 5.090 -24.134 12.705 807 HZ1 LYS 108 1HZ LYS 108 5.853 -21.929 14.385 808 HZ2 LYS 108 2HZ LYS 108 5.724 -23.320 15.222 809 H GLY 109 HN GLY 109 -1.232 -21.723 10.235 810 HA2 GLY 109 1HA GLY 109 -1.559 -24.548 9.852 811 HA3 GLY 109 2HA GLY 109 -1.781 -24.065 11.522 Start of MODEL 8 1 H SER 0 HN SER 0 3.670 2.665 -4.327 2 HA SER 0 HA SER 0 4.395 0.110 -5.367 3 HB2 SER 0 2HB SER 0 6.387 0.540 -3.684 4 HB3 SER 0 3HB SER 0 6.274 1.471 -5.164 5 HG SER 0 HG SER 0 6.451 2.467 -2.742 6 H MET 1 HN MET 1 4.217 -1.869 -4.319 7 HA MET 1 HA MET 1 2.816 -1.804 -1.802 8 HB2 MET 1 2HB MET 1 3.670 -4.258 -3.418 9 HB3 MET 1 3HB MET 1 2.343 -4.149 -2.279 10 HG2 MET 1 2HG MET 1 1.088 -2.666 -3.782 11 HG3 MET 1 3HG MET 1 2.455 -2.536 -4.871 12 HE1 MET 1 1HE MET 1 0.269 -2.852 -6.086 13 HE2 MET 1 2HE MET 1 0.650 -4.151 -7.242 14 HE3 MET 1 3HE MET 1 -0.706 -4.341 -6.104 15 H ALA 2 HN ALA 2 3.483 -3.501 -0.089 16 HA ALA 2 HA ALA 2 6.328 -3.158 0.365 17 HB1 ALA 2 1HB ALA 2 5.474 -2.789 2.418 18 HB2 ALA 2 2HB ALA 2 3.892 -3.462 1.957 19 HB3 ALA 2 3HB ALA 2 5.191 -4.543 2.515 20 H PHE 3 HN PHE 3 3.865 -5.833 0.330 21 HA PHE 3 HA PHE 3 5.625 -7.915 0.656 22 HB2 PHE 3 2HB PHE 3 2.930 -7.386 -0.611 23 HB3 PHE 3 3HB PHE 3 3.676 -8.915 -1.032 24 HD1 PHE 3 HD1 PHE 3 1.569 -7.316 1.251 25 HD2 PHE 3 HD2 PHE 3 4.590 -10.290 1.051 26 HE1 PHE 3 HE1 PHE 3 0.724 -8.319 3.392 27 HE2 PHE 3 HE2 PHE 3 3.745 -11.292 3.192 28 HZ PHE 3 HZ PHE 3 1.822 -10.295 4.336 29 H ALA 4 HN ALA 4 5.283 -5.749 -2.048 30 HA ALA 4 HA ALA 4 5.896 -7.358 -4.190 31 HB1 ALA 4 1HB ALA 4 5.539 -5.285 -5.008 32 HB2 ALA 4 2HB ALA 4 5.998 -4.514 -3.471 33 HB3 ALA 4 3HB ALA 4 7.253 -4.968 -4.649 34 H SER 5 HN SER 5 7.817 -6.526 -1.392 35 HA SER 5 HA SER 5 10.255 -7.215 -2.775 36 HB2 SER 5 2HB SER 5 9.562 -5.973 -0.121 37 HB3 SER 5 3HB SER 5 11.101 -6.800 -0.256 38 HG SER 5 HG SER 5 10.162 -4.621 -1.919 39 H VAL 6 HN VAL 6 8.234 -8.267 0.050 40 HA VAL 6 HA VAL 6 9.803 -10.509 0.666 41 HB VAL 6 HB VAL 6 6.847 -10.235 1.167 42 HG11 VAL 6 1HG1 VAL 6 7.393 -12.205 2.160 43 HG12 VAL 6 2HG1 VAL 6 9.113 -11.777 2.323 44 HG13 VAL 6 3HG1 VAL 6 7.921 -11.128 3.474 45 HG21 VAL 6 1HG2 VAL 6 7.415 -8.127 1.880 46 HG22 VAL 6 2HG2 VAL 6 7.790 -9.055 3.351 47 HG23 VAL 6 3HG2 VAL 6 9.098 -8.579 2.241 48 H LEU 7 HN LEU 7 6.558 -10.337 -0.976 49 HA LEU 7 HA LEU 7 7.317 -12.822 -2.345 50 HB2 LEU 7 2HB LEU 7 4.578 -11.767 -1.630 51 HB3 LEU 7 3HB LEU 7 4.894 -13.223 -2.552 52 HG LEU 7 HG LEU 7 6.141 -12.993 0.156 53 HD11 LEU 7 1HD1 LEU 7 4.253 -13.301 1.393 54 HD12 LEU 7 2HD1 LEU 7 3.581 -12.283 0.096 55 HD13 LEU 7 3HD1 LEU 7 3.353 -14.048 0.051 56 HD21 LEU 7 1HD2 LEU 7 6.450 -15.194 -0.057 57 HD22 LEU 7 2HD2 LEU 7 4.782 -15.469 -0.614 58 HD23 LEU 7 3HD2 LEU 7 6.034 -14.959 -1.772 59 H LYS 8 HN LYS 8 5.630 -12.896 -4.457 60 HA LYS 8 HA LYS 8 6.750 -10.902 -6.145 61 HB2 LYS 8 2HB LYS 8 5.052 -13.330 -6.453 62 HB3 LYS 8 3HB LYS 8 4.941 -12.125 -7.719 63 HG2 LYS 8 2HG LYS 8 6.737 -13.896 -8.084 64 HG3 LYS 8 3HG LYS 8 7.305 -12.241 -8.187 65 HD2 LYS 8 2HD LYS 8 8.060 -12.375 -5.787 66 HD3 LYS 8 3HD LYS 8 7.540 -14.048 -5.733 67 HE2 LYS 8 2HE LYS 8 9.107 -14.213 -7.933 68 HE3 LYS 8 3HE LYS 8 9.882 -12.831 -7.185 69 HZ1 LYS 8 1HZ LYS 8 10.341 -14.111 -5.242 70 HZ2 LYS 8 2HZ LYS 8 9.362 -15.335 -5.684 71 H ASP 9 HN ASP 9 5.658 -9.233 -7.310 72 HA ASP 9 HA ASP 9 3.589 -8.067 -5.747 73 HB2 ASP 9 2HB ASP 9 5.382 -6.696 -6.774 74 HB3 ASP 9 3HB ASP 9 4.903 -7.229 -8.374 75 HD2 ASP 9 HD2 ASP 9 4.424 -4.428 -6.509 76 H ALA 10 HN ALA 10 3.983 -9.906 -8.764 77 HA ALA 10 HA ALA 10 1.356 -9.235 -9.745 78 HB1 ALA 10 1HB ALA 10 2.428 -11.452 -11.137 79 HB2 ALA 10 2HB ALA 10 2.433 -9.748 -11.650 80 HB3 ALA 10 3HB ALA 10 3.814 -10.409 -10.743 81 H GLU 11 HN GLU 11 3.024 -11.857 -7.969 82 HA GLU 11 HA GLU 11 0.936 -13.696 -8.228 83 HB2 GLU 11 2HB GLU 11 3.093 -13.485 -6.080 84 HB3 GLU 11 3HB GLU 11 2.098 -14.897 -6.373 85 HG2 GLU 11 2HG GLU 11 3.884 -13.643 -8.508 86 HG3 GLU 11 3HG GLU 11 4.414 -14.944 -7.460 87 HE2 GLU 11 HE2 GLU 11 1.933 -14.787 -10.318 88 H VAL 12 HN VAL 12 1.949 -11.577 -5.445 89 HA VAL 12 HA VAL 12 -0.143 -12.206 -3.770 90 HB VAL 12 HB VAL 12 0.391 -10.142 -2.635 91 HG11 VAL 12 1HG1 VAL 12 2.054 -11.511 -1.955 92 HG12 VAL 12 2HG1 VAL 12 2.497 -11.973 -3.616 93 HG13 VAL 12 3HG1 VAL 12 3.084 -10.438 -2.932 94 HG21 VAL 12 1HG2 VAL 12 1.748 -9.405 -5.236 95 HG22 VAL 12 2HG2 VAL 12 0.504 -8.507 -4.333 96 HG23 VAL 12 3HG2 VAL 12 2.161 -8.619 -3.693 97 H THR 13 HN THR 13 0.005 -10.023 -6.591 98 HA THR 13 HA THR 13 -2.335 -8.590 -6.126 99 HB THR 13 HB THR 13 -0.643 -9.374 -8.512 100 HG1 THR 13 HG1 THR 13 -1.694 -6.899 -7.335 101 HG21 THR 13 1HG2 THR 13 -2.421 -9.078 -9.936 102 HG22 THR 13 2HG2 THR 13 -3.482 -8.537 -8.613 103 HG23 THR 13 3HG2 THR 13 -2.393 -7.377 -9.411 104 H ALA 14 HN ALA 14 -1.847 -11.742 -7.830 105 HA ALA 14 HA ALA 14 -4.453 -12.095 -8.647 106 HB1 ALA 14 1HB ALA 14 -2.876 -14.439 -7.638 107 HB2 ALA 14 2HB ALA 14 -3.762 -14.234 -9.168 108 HB3 ALA 14 3HB ALA 14 -2.174 -13.461 -8.948 109 H ALA 15 HN ALA 15 -3.046 -12.155 -5.428 110 HA ALA 15 HA ALA 15 -5.294 -13.611 -4.324 111 HB1 ALA 15 1HB ALA 15 -4.031 -13.668 -2.339 112 HB2 ALA 15 2HB ALA 15 -2.791 -13.740 -3.614 113 HB3 ALA 15 3HB ALA 15 -3.112 -12.206 -2.770 114 H LEU 16 HN LEU 16 -4.231 -10.318 -4.968 115 HA LEU 16 HA LEU 16 -5.946 -9.134 -3.009 116 HB2 LEU 16 2HB LEU 16 -4.151 -8.173 -5.196 117 HB3 LEU 16 3HB LEU 16 -5.363 -7.080 -4.558 118 HG LEU 16 HG LEU 16 -3.446 -8.511 -2.722 119 HD11 LEU 16 1HD1 LEU 16 -2.703 -6.642 -4.744 120 HD12 LEU 16 2HD1 LEU 16 -2.559 -5.842 -3.161 121 HD13 LEU 16 3HD1 LEU 16 -1.699 -7.370 -3.467 122 HD21 LEU 16 1HD2 LEU 16 -5.561 -6.551 -2.429 123 HD22 LEU 16 2HD2 LEU 16 -4.677 -7.475 -1.190 124 HD23 LEU 16 3HD2 LEU 16 -4.015 -5.936 -1.794 125 H ASP 17 HN ASP 17 -6.127 -10.098 -6.437 126 HA ASP 17 HA ASP 17 -8.476 -8.640 -6.939 127 HB2 ASP 17 2HB ASP 17 -6.764 -9.629 -8.619 128 HB3 ASP 17 3HB ASP 17 -7.556 -11.171 -8.367 129 HD2 ASP 17 HD2 ASP 17 -9.348 -8.129 -10.196 130 H GLY 18 HN GLY 18 -7.648 -11.738 -5.458 131 HA2 GLY 18 1HA GLY 18 -10.184 -13.016 -5.844 132 HA3 GLY 18 2HA GLY 18 -8.875 -13.522 -4.793 133 H CYS 19 HN CYS 19 -9.367 -10.272 -4.100 134 HA CYS 19 HA CYS 19 -11.491 -10.845 -2.180 135 HB2 CYS 19 2HB CYS 19 -10.232 -9.589 -0.436 136 HB3 CYS 19 3HB CYS 19 -9.484 -11.108 -0.884 137 HG CYS 19 HG CYS 19 -7.360 -10.209 -1.386 138 H LYS 20 HN LYS 20 -11.131 -9.431 -4.888 139 HA LYS 20 HA LYS 20 -11.367 -6.642 -4.190 140 HB2 LYS 20 2HB LYS 20 -11.073 -8.245 -6.682 141 HB3 LYS 20 3HB LYS 20 -11.926 -6.721 -6.825 142 HG2 LYS 20 2HG LYS 20 -9.315 -6.806 -5.294 143 HG3 LYS 20 3HG LYS 20 -9.274 -6.809 -7.046 144 HD2 LYS 20 2HD LYS 20 -9.245 -4.514 -6.661 145 HD3 LYS 20 3HD LYS 20 -10.974 -4.767 -6.794 146 HE2 LYS 20 2HE LYS 20 -11.308 -4.650 -4.441 147 HE3 LYS 20 3HE LYS 20 -9.630 -5.011 -4.085 148 HZ1 LYS 20 1HZ LYS 20 -8.994 -2.846 -4.592 149 HZ2 LYS 20 2HZ LYS 20 -10.262 -2.548 -5.569 150 H ALA 21 HN ALA 21 -13.398 -9.418 -4.366 151 HA ALA 21 HA ALA 21 -15.758 -7.755 -4.852 152 HB1 ALA 21 1HB ALA 21 -16.186 -9.549 -6.168 153 HB2 ALA 21 2HB ALA 21 -14.987 -10.566 -5.333 154 HB3 ALA 21 3HB ALA 21 -16.618 -10.368 -4.648 155 H ALA 22 HN ALA 22 -16.340 -6.746 -2.966 156 HA ALA 22 HA ALA 22 -15.774 -7.425 -0.432 157 HB1 ALA 22 1HB ALA 22 -17.041 -5.599 -0.115 158 HB2 ALA 22 2HB ALA 22 -17.590 -5.708 -1.805 159 HB3 ALA 22 3HB ALA 22 -18.509 -6.523 -0.517 160 H GLY 23 HN GLY 23 -16.354 -8.955 1.071 161 HA2 GLY 23 1HA GLY 23 -17.420 -10.714 1.994 162 HA3 GLY 23 2HA GLY 23 -18.783 -10.422 0.932 163 H SER 24 HN SER 24 -15.557 -10.809 -0.477 164 HA SER 24 HA SER 24 -16.234 -13.561 -1.134 165 HB2 SER 24 2HB SER 24 -15.976 -13.261 -3.424 166 HB3 SER 24 3HB SER 24 -16.688 -11.721 -2.987 167 HG SER 24 HG SER 24 -13.868 -12.273 -3.365 168 H PHE 25 HN PHE 25 -14.241 -11.696 0.573 169 HA PHE 25 HA PHE 25 -11.705 -12.551 -0.482 170 HB2 PHE 25 2HB PHE 25 -11.781 -10.384 0.590 171 HB3 PHE 25 3HB PHE 25 -12.812 -10.967 1.881 172 HD1 PHE 25 HD1 PHE 25 -9.624 -12.442 0.658 173 HD2 PHE 25 HD2 PHE 25 -11.620 -10.418 3.809 174 HE1 PHE 25 HE1 PHE 25 -7.613 -12.748 2.128 175 HE2 PHE 25 HE2 PHE 25 -9.608 -10.724 5.279 176 HZ PHE 25 HZ PHE 25 -7.629 -11.885 4.421 177 H ASP 26 HN ASP 26 -10.394 -14.200 0.288 178 HA ASP 26 HA ASP 26 -11.408 -15.622 2.612 179 HB2 ASP 26 2HB ASP 26 -10.901 -16.639 -0.161 180 HB3 ASP 26 3HB ASP 26 -10.317 -17.662 1.137 181 HD2 ASP 26 HD2 ASP 26 -13.133 -16.043 0.048 182 H HIS 27 HN HIS 27 -9.688 -14.918 3.980 183 HA HIS 27 HA HIS 27 -7.153 -14.342 3.343 184 HB2 HIS 27 2HB HIS 27 -6.578 -15.095 5.687 185 HB3 HIS 27 3HB HIS 27 -7.885 -13.937 5.538 186 HD1 HIS 27 HD1 HIS 27 -10.360 -14.861 5.923 187 HD2 HIS 27 HD2 HIS 27 -7.269 -17.549 6.824 188 HE1 HIS 27 HE1 HIS 27 -11.415 -16.724 7.311 189 H LYS 28 HN LYS 28 -8.257 -17.642 4.411 190 HA LYS 28 HA LYS 28 -5.936 -18.988 4.111 191 HB2 LYS 28 2HB LYS 28 -8.820 -19.707 3.826 192 HB3 LYS 28 3HB LYS 28 -7.640 -20.880 3.276 193 HG2 LYS 28 2HG LYS 28 -7.620 -19.579 6.041 194 HG3 LYS 28 3HG LYS 28 -8.279 -21.167 5.699 195 HD2 LYS 28 2HD LYS 28 -5.386 -20.263 5.597 196 HD3 LYS 28 3HD LYS 28 -6.075 -21.616 6.473 197 HE2 LYS 28 2HE LYS 28 -5.625 -21.391 3.467 198 HE3 LYS 28 3HE LYS 28 -4.890 -22.536 4.572 199 HZ1 LYS 28 1HZ LYS 28 -6.727 -23.555 3.354 200 HZ2 LYS 28 2HZ LYS 28 -7.105 -23.509 4.937 201 H LYS 29 HN LYS 29 -8.282 -18.094 1.514 202 HA LYS 29 HA LYS 29 -6.879 -19.413 -0.530 203 HB2 LYS 29 2HB LYS 29 -9.040 -17.341 -0.381 204 HB3 LYS 29 3HB LYS 29 -8.241 -17.613 -1.916 205 HG2 LYS 29 2HG LYS 29 -9.482 -19.832 -0.223 206 HG3 LYS 29 3HG LYS 29 -10.301 -19.045 -1.557 207 HD2 LYS 29 2HD LYS 29 -8.234 -19.720 -2.997 208 HD3 LYS 29 3HD LYS 29 -7.799 -20.776 -1.668 209 HE2 LYS 29 2HE LYS 29 -9.089 -22.245 -2.938 210 HE3 LYS 29 3HE LYS 29 -10.327 -21.601 -1.878 211 HZ1 LYS 29 1HZ LYS 29 -10.465 -21.528 -4.567 212 HZ2 LYS 29 2HZ LYS 29 -11.301 -20.518 -3.601 213 H PHE 30 HN PHE 30 -6.677 -16.131 0.908 214 HA PHE 30 HA PHE 30 -5.032 -15.000 -1.018 215 HB2 PHE 30 2HB PHE 30 -6.307 -14.093 1.135 216 HB3 PHE 30 3HB PHE 30 -4.860 -14.555 2.009 217 HD1 PHE 30 HD1 PHE 30 -2.642 -13.730 0.467 218 HD2 PHE 30 HD2 PHE 30 -6.415 -11.821 0.824 219 HE1 PHE 30 HE1 PHE 30 -1.585 -11.531 -0.121 220 HE2 PHE 30 HE2 PHE 30 -5.357 -9.621 0.237 221 HZ PHE 30 HZ PHE 30 -2.955 -9.503 -0.229 222 H PHE 31 HN PHE 31 -4.056 -16.326 2.232 223 HA PHE 31 HA PHE 31 -1.330 -16.210 1.696 224 HB2 PHE 31 2HB PHE 31 -3.119 -17.935 3.503 225 HB3 PHE 31 3HB PHE 31 -1.371 -17.984 3.624 226 HD1 PHE 31 HD1 PHE 31 -3.733 -17.018 5.566 227 HD2 PHE 31 HD2 PHE 31 -0.766 -15.072 3.239 228 HE1 PHE 31 HE1 PHE 31 -3.787 -15.060 7.135 229 HE2 PHE 31 HE2 PHE 31 -0.819 -13.114 4.808 230 HZ PHE 31 HZ PHE 31 -2.330 -13.131 6.737 231 H LYS 32 HN LYS 32 -3.794 -18.742 1.072 232 HA LYS 32 HA LYS 32 -1.846 -20.705 0.369 233 HB2 LYS 32 2HB LYS 32 -4.097 -21.217 1.314 234 HB3 LYS 32 3HB LYS 32 -4.830 -20.641 -0.169 235 HG2 LYS 32 2HG LYS 32 -3.080 -22.364 -1.283 236 HG3 LYS 32 3HG LYS 32 -3.173 -23.118 0.296 237 HD2 LYS 32 2HD LYS 32 -5.644 -23.275 0.108 238 HD3 LYS 32 3HD LYS 32 -5.600 -22.443 -1.434 239 HE2 LYS 32 2HE LYS 32 -4.627 -25.235 -0.766 240 HE3 LYS 32 3HE LYS 32 -5.713 -24.734 -2.046 241 HZ1 LYS 32 1HZ LYS 32 -3.194 -25.242 -2.545 242 HZ2 LYS 32 2HZ LYS 32 -3.957 -24.053 -3.356 243 H ALA 33 HN ALA 33 -3.302 -17.946 -1.176 244 HA ALA 33 HA ALA 33 -2.974 -18.961 -3.843 245 HB1 ALA 33 1HB ALA 33 -3.829 -16.376 -2.547 246 HB2 ALA 33 2HB ALA 33 -3.404 -16.398 -4.276 247 HB3 ALA 33 3HB ALA 33 -4.723 -17.428 -3.671 248 H CYS 34 HN CYS 34 -1.351 -16.498 -1.725 249 HA CYS 34 HA CYS 34 0.711 -16.096 -3.643 250 HB2 CYS 34 2HB CYS 34 -0.138 -14.387 -1.954 251 HB3 CYS 34 3HB CYS 34 0.748 -15.271 -0.728 252 HG CYS 34 HG CYS 34 2.354 -14.794 -3.490 253 H GLY 35 HN GLY 35 0.010 -18.283 -0.966 254 HA2 GLY 35 1HA GLY 35 1.177 -20.343 -0.827 255 HA3 GLY 35 2HA GLY 35 2.645 -19.545 -1.356 256 H LEU 36 HN LEU 36 1.514 -17.202 0.573 257 HA LEU 36 HA LEU 36 3.303 -17.396 2.555 258 HB2 LEU 36 2HB LEU 36 0.638 -16.126 2.283 259 HB3 LEU 36 3HB LEU 36 1.293 -16.225 3.905 260 HG LEU 36 HG LEU 36 3.009 -15.132 1.697 261 HD11 LEU 36 1HD1 LEU 36 1.471 -13.108 3.177 262 HD12 LEU 36 2HD1 LEU 36 1.923 -13.188 1.457 263 HD13 LEU 36 3HD1 LEU 36 0.508 -14.091 2.049 264 HD21 LEU 36 1HD2 LEU 36 3.183 -15.407 4.545 265 HD22 LEU 36 2HD2 LEU 36 4.397 -14.802 3.393 266 HD23 LEU 36 3HD2 LEU 36 3.220 -13.680 4.117 267 H SER 37 HN SER 37 0.318 -19.274 2.201 268 HA SER 37 HA SER 37 0.293 -20.162 4.873 269 HB2 SER 37 2HB SER 37 -1.594 -20.143 3.019 270 HB3 SER 37 3HB SER 37 -0.936 -21.705 2.576 271 HG SER 37 HG SER 37 -2.737 -21.363 4.391 272 H GLY 38 HN GLY 38 1.526 -21.757 5.818 273 HA2 GLY 38 1HA GLY 38 2.604 -23.786 5.937 274 HA3 GLY 38 2HA GLY 38 2.563 -23.935 4.191 275 H LYS 39 HN LYS 39 3.542 -20.770 5.041 276 HA LYS 39 HA LYS 39 6.204 -21.311 4.154 277 HB2 LYS 39 2HB LYS 39 4.633 -18.856 4.894 278 HB3 LYS 39 3HB LYS 39 6.375 -18.760 4.730 279 HG2 LYS 39 2HG LYS 39 4.417 -19.742 2.601 280 HG3 LYS 39 3HG LYS 39 5.290 -18.223 2.580 281 HD2 LYS 39 2HD LYS 39 7.415 -19.880 2.837 282 HD3 LYS 39 3HD LYS 39 6.310 -21.009 2.077 283 HE2 LYS 39 2HE LYS 39 5.875 -18.990 0.387 284 HE3 LYS 39 3HE LYS 39 7.424 -18.419 0.976 285 HZ1 LYS 39 1HZ LYS 39 8.506 -20.270 0.106 286 HZ2 LYS 39 2HZ LYS 39 7.184 -21.222 0.103 287 H SER 40 HN SER 40 7.835 -19.660 5.656 288 HA SER 40 HA SER 40 7.901 -21.185 8.117 289 HB2 SER 40 2HB SER 40 9.988 -19.554 6.619 290 HB3 SER 40 3HB SER 40 10.273 -20.159 8.239 291 HG SER 40 HG SER 40 10.538 -22.161 7.487 292 H THR 41 HN THR 41 8.310 -20.088 10.193 293 HA THR 41 HA THR 41 6.770 -17.742 10.490 294 HB THR 41 HB THR 41 8.759 -19.112 12.377 295 HG1 THR 41 HG1 THR 41 7.132 -20.610 12.385 296 HG21 THR 41 1HG2 THR 41 6.965 -16.813 12.680 297 HG22 THR 41 2HG2 THR 41 6.438 -18.161 13.716 298 HG23 THR 41 3HG2 THR 41 8.089 -17.513 13.870 299 H ASP 42 HN ASP 42 10.089 -18.279 9.584 300 HA ASP 42 HA ASP 42 11.193 -15.976 10.629 301 HB2 ASP 42 2HB ASP 42 12.555 -17.774 9.666 302 HB3 ASP 42 3HB ASP 42 11.815 -17.554 8.093 303 HD2 ASP 42 HD2 ASP 42 14.445 -17.185 7.656 304 H GLU 43 HN GLU 43 9.841 -16.722 7.324 305 HA GLU 43 HA GLU 43 10.078 -14.047 6.477 306 HB2 GLU 43 2HB GLU 43 9.207 -14.805 4.422 307 HB3 GLU 43 3HB GLU 43 10.010 -16.226 5.059 308 HG2 GLU 43 2HG GLU 43 7.841 -17.076 5.943 309 HG3 GLU 43 3HG GLU 43 7.026 -15.638 5.360 310 HE2 GLU 43 HE2 GLU 43 5.937 -16.253 3.663 311 H VAL 44 HN VAL 44 7.384 -16.119 7.698 312 HA VAL 44 HA VAL 44 5.257 -14.490 7.242 313 HB VAL 44 HB VAL 44 5.858 -16.159 9.693 314 HG11 VAL 44 1HG1 VAL 44 3.993 -14.915 10.325 315 HG12 VAL 44 2HG1 VAL 44 3.334 -14.868 8.672 316 HG13 VAL 44 3HG1 VAL 44 3.264 -16.376 9.615 317 HG21 VAL 44 1HG2 VAL 44 4.069 -17.220 7.599 318 HG22 VAL 44 2HG2 VAL 44 5.765 -17.022 7.096 319 HG23 VAL 44 3HG2 VAL 44 5.368 -18.019 8.517 320 H LYS 45 HN LYS 45 7.741 -14.251 9.839 321 HA LYS 45 HA LYS 45 6.490 -12.221 11.282 322 HB2 LYS 45 2HB LYS 45 9.370 -13.097 11.008 323 HB3 LYS 45 3HB LYS 45 8.893 -11.784 12.065 324 HG2 LYS 45 2HG LYS 45 7.757 -13.183 13.539 325 HG3 LYS 45 3HG LYS 45 7.296 -14.317 12.285 326 HD2 LYS 45 2HD LYS 45 8.970 -15.655 13.043 327 HD3 LYS 45 3HD LYS 45 10.086 -14.526 12.299 328 HE2 LYS 45 2HE LYS 45 9.013 -14.065 15.112 329 HE3 LYS 45 3HE LYS 45 10.417 -15.075 14.827 330 HZ1 LYS 45 1HZ LYS 45 11.187 -12.859 15.203 331 HZ2 LYS 45 2HZ LYS 45 11.391 -13.116 13.608 332 H LYS 46 HN LYS 46 8.514 -12.207 8.337 333 HA LYS 46 HA LYS 46 8.871 -9.385 8.354 334 HB2 LYS 46 2HB LYS 46 9.121 -11.169 5.935 335 HB3 LYS 46 3HB LYS 46 9.989 -9.693 6.305 336 HG2 LYS 46 2HG LYS 46 10.310 -12.423 7.612 337 HG3 LYS 46 3HG LYS 46 11.521 -11.497 6.748 338 HD2 LYS 46 2HD LYS 46 10.299 -10.819 9.462 339 HD3 LYS 46 3HD LYS 46 11.952 -11.313 9.150 340 HE2 LYS 46 2HE LYS 46 10.739 -8.793 7.930 341 HE3 LYS 46 3HE LYS 46 11.562 -8.787 9.477 342 HZ1 LYS 46 1HZ LYS 46 12.856 -9.837 7.024 343 HZ2 LYS 46 2HZ LYS 46 12.993 -8.279 7.476 344 H ALA 47 HN ALA 47 6.562 -11.699 6.849 345 HA ALA 47 HA ALA 47 5.280 -9.847 5.205 346 HB1 ALA 47 1HB ALA 47 4.630 -12.522 6.420 347 HB2 ALA 47 2HB ALA 47 3.335 -11.604 5.613 348 HB3 ALA 47 3HB ALA 47 4.798 -12.062 4.708 349 H PHE 48 HN PHE 48 5.019 -10.598 8.684 350 HA PHE 48 HA PHE 48 2.568 -9.323 9.122 351 HB2 PHE 48 2HB PHE 48 3.669 -10.878 10.718 352 HB3 PHE 48 3HB PHE 48 5.089 -9.853 10.799 353 HD1 PHE 48 HD1 PHE 48 5.105 -7.855 12.164 354 HD2 PHE 48 HD2 PHE 48 1.616 -10.256 11.895 355 HE1 PHE 48 HE1 PHE 48 4.138 -6.672 14.156 356 HE2 PHE 48 HE2 PHE 48 0.649 -9.073 13.887 357 HZ PHE 48 HZ PHE 48 1.921 -7.296 14.993 358 H ALA 49 HN ALA 49 5.790 -8.093 8.485 359 HA ALA 49 HA ALA 49 5.294 -5.553 9.746 360 HB1 ALA 49 1HB ALA 49 7.506 -5.176 8.223 361 HB2 ALA 49 2HB ALA 49 7.544 -5.953 9.825 362 HB3 ALA 49 3HB ALA 49 7.526 -6.951 8.352 363 H ILE 50 HN ILE 50 4.504 -7.137 6.774 364 HA ILE 50 HA ILE 50 4.569 -4.857 5.095 365 HB ILE 50 HB ILE 50 3.007 -7.426 4.818 366 HG12 ILE 50 2HG1 ILE 50 5.455 -7.762 5.192 367 HG13 ILE 50 3HG1 ILE 50 4.868 -8.348 3.648 368 HG21 ILE 50 1HG2 ILE 50 2.101 -6.321 3.093 369 HG22 ILE 50 2HG2 ILE 50 3.350 -5.053 3.114 370 HG23 ILE 50 3HG2 ILE 50 3.668 -6.603 2.299 371 HD11 ILE 50 1HD1 ILE 50 5.781 -6.458 2.462 372 HD12 ILE 50 2HD1 ILE 50 6.088 -5.575 3.976 373 HD13 ILE 50 3HD1 ILE 50 7.055 -7.014 3.574 374 H ILE 51 HN ILE 51 1.966 -6.550 6.961 375 HA ILE 51 HA ILE 51 -0.066 -4.794 6.172 376 HB ILE 51 HB ILE 51 0.096 -6.384 8.730 377 HG12 ILE 51 2HG1 ILE 51 -1.320 -7.816 6.735 378 HG13 ILE 51 3HG1 ILE 51 0.197 -7.324 6.008 379 HG21 ILE 51 1HG2 ILE 51 -2.065 -5.927 9.031 380 HG22 ILE 51 2HG2 ILE 51 -1.844 -4.634 7.828 381 HG23 ILE 51 3HG2 ILE 51 -2.457 -6.226 7.320 382 HD11 ILE 51 1HD1 ILE 51 1.021 -9.185 7.058 383 HD12 ILE 51 2HD1 ILE 51 1.078 -8.125 8.486 384 HD13 ILE 51 3HD1 ILE 51 -0.304 -9.220 8.245 385 H ASP 52 HN ASP 52 1.628 -4.988 9.387 386 HA ASP 52 HA ASP 52 0.676 -2.827 10.544 387 HB2 ASP 52 2HB ASP 52 3.620 -3.631 10.406 388 HB3 ASP 52 3HB ASP 52 2.973 -2.514 11.591 389 HD2 ASP 52 HD2 ASP 52 3.671 -5.942 11.773 390 H GLN 53 HN GLN 53 0.234 -0.872 9.466 391 HA GLN 53 HA GLN 53 2.240 0.140 7.656 392 HB2 GLN 53 2HB GLN 53 -0.513 1.283 8.297 393 HB3 GLN 53 3HB GLN 53 0.513 1.729 6.948 394 HG2 GLN 53 2HG GLN 53 0.412 -0.844 6.341 395 HG3 GLN 53 3HG GLN 53 -0.988 -0.869 7.396 396 HE21 GLN 53 1HE2 GLN 53 -2.845 0.241 6.863 397 HE22 GLN 53 2HE2 GLN 53 -3.171 0.854 5.276 398 H ASP 54 HN ASP 54 1.314 0.405 10.859 399 HA ASP 54 HA ASP 54 2.678 3.062 11.165 400 HB2 ASP 54 2HB ASP 54 1.225 3.200 13.238 401 HB3 ASP 54 3HB ASP 54 0.325 3.189 11.724 402 H LYS 55 HN LYS 55 2.759 -0.380 11.916 403 HA LYS 55 HA LYS 55 4.081 -1.593 13.199 404 HB2 LYS 55 2HB LYS 55 5.919 0.777 13.537 405 HB3 LYS 55 3HB LYS 55 6.326 -0.926 13.502 406 HG2 LYS 55 2HG LYS 55 5.383 0.795 11.171 407 HG3 LYS 55 3HG LYS 55 6.940 0.010 11.350 408 HD2 LYS 55 2HD LYS 55 5.474 -2.212 11.500 409 HD3 LYS 55 3HD LYS 55 4.255 -1.232 10.709 410 HE2 LYS 55 2HE LYS 55 5.453 -2.273 8.921 411 HE3 LYS 55 3HE LYS 55 6.051 -0.626 8.958 412 HZ1 LYS 55 1HZ LYS 55 7.943 -2.041 8.867 413 HZ2 LYS 55 2HZ LYS 55 7.907 -1.516 10.408 414 H SER 56 HN SER 56 1.823 -0.272 14.385 415 HA SER 56 HA SER 56 2.412 1.042 16.716 416 HB2 SER 56 2HB SER 56 0.121 -0.164 17.428 417 HB3 SER 56 3HB SER 56 0.156 1.137 16.254 418 HG SER 56 HG SER 56 -0.808 -0.279 14.965 419 H GLY 57 HN GLY 57 2.177 -2.480 15.983 420 HA2 GLY 57 1HA GLY 57 3.975 -3.616 17.452 421 HA3 GLY 57 2HA GLY 57 2.921 -3.111 18.757 422 H PHE 58 HN PHE 58 0.523 -3.418 16.769 423 HA PHE 58 HA PHE 58 0.488 -6.300 16.464 424 HB2 PHE 58 2HB PHE 58 -1.275 -4.576 18.284 425 HB3 PHE 58 3HB PHE 58 -1.873 -6.105 17.672 426 HD1 PHE 58 HD1 PHE 58 -1.392 -8.083 18.806 427 HD2 PHE 58 HD2 PHE 58 0.956 -4.636 19.592 428 HE1 PHE 58 HE1 PHE 58 -0.264 -9.283 20.700 429 HE2 PHE 58 HE2 PHE 58 2.083 -5.836 21.486 430 HZ PHE 58 HZ PHE 58 1.460 -8.145 22.018 431 H ILE 59 HN ILE 59 -2.090 -6.769 15.767 432 HA ILE 59 HA ILE 59 -2.615 -4.768 13.680 433 HB ILE 59 HB ILE 59 -2.468 -7.750 13.566 434 HG12 ILE 59 2HG1 ILE 59 -1.641 -5.609 11.586 435 HG13 ILE 59 3HG1 ILE 59 -0.590 -6.252 12.832 436 HG21 ILE 59 1HG2 ILE 59 -4.565 -6.103 12.335 437 HG22 ILE 59 2HG2 ILE 59 -3.660 -7.112 11.182 438 HG23 ILE 59 3HG2 ILE 59 -4.471 -7.864 12.576 439 HD11 ILE 59 1HD1 ILE 59 -1.377 -8.605 11.789 440 HD12 ILE 59 2HD1 ILE 59 -1.640 -7.587 10.353 441 HD13 ILE 59 3HD1 ILE 59 -0.025 -7.680 11.094 442 H GLU 60 HN GLU 60 -3.995 -3.723 15.326 443 HA GLU 60 HA GLU 60 -6.013 -4.975 16.647 444 HB2 GLU 60 2HB GLU 60 -5.964 -2.158 15.477 445 HB3 GLU 60 3HB GLU 60 -7.117 -2.707 16.677 446 HG2 GLU 60 2HG GLU 60 -5.541 -1.858 18.132 447 HG3 GLU 60 3HG GLU 60 -4.853 -3.460 17.954 448 HE2 GLU 60 HE2 GLU 60 -1.936 -2.009 16.837 449 H GLU 61 HN GLU 61 -8.423 -4.894 16.243 450 HA GLU 61 HA GLU 61 -9.125 -6.261 14.056 451 HB2 GLU 61 2HB GLU 61 -10.548 -5.820 16.080 452 HB3 GLU 61 3HB GLU 61 -10.878 -4.208 15.477 453 HG2 GLU 61 2HG GLU 61 -11.420 -6.600 13.697 454 HG3 GLU 61 3HG GLU 61 -12.563 -6.194 14.961 455 HE2 GLU 61 HE2 GLU 61 -12.039 -2.840 13.387 456 H GLU 62 HN GLU 62 -8.772 -2.714 14.373 457 HA GLU 62 HA GLU 62 -10.052 -2.047 12.007 458 HB2 GLU 62 2HB GLU 62 -7.706 -0.531 13.213 459 HB3 GLU 62 3HB GLU 62 -9.035 0.124 12.278 460 HG2 GLU 62 2HG GLU 62 -10.026 0.570 14.279 461 HG3 GLU 62 3HG GLU 62 -10.379 -1.145 14.355 462 HE2 GLU 62 HE2 GLU 62 -7.130 0.294 16.210 463 H GLU 63 HN GLU 63 -6.681 -3.034 12.754 464 HA GLU 63 HA GLU 63 -5.701 -2.409 10.201 465 HB2 GLU 63 2HB GLU 63 -4.702 -4.101 12.510 466 HB3 GLU 63 3HB GLU 63 -3.830 -4.077 10.989 467 HG2 GLU 63 2HG GLU 63 -3.768 -1.536 11.140 468 HG3 GLU 63 3HG GLU 63 -4.486 -1.657 12.734 469 H LEU 64 HN LEU 64 -7.131 -5.331 11.720 470 HA LEU 64 HA LEU 64 -6.465 -7.225 9.866 471 HB2 LEU 64 2HB LEU 64 -8.716 -6.797 11.757 472 HB3 LEU 64 3HB LEU 64 -8.933 -8.024 10.525 473 HG LEU 64 HG LEU 64 -6.601 -7.939 12.459 474 HD11 LEU 64 1HD1 LEU 64 -7.682 -9.404 13.875 475 HD12 LEU 64 2HD1 LEU 64 -9.015 -8.337 13.372 476 HD13 LEU 64 3HD1 LEU 64 -8.830 -9.942 12.625 477 HD21 LEU 64 1HD2 LEU 64 -7.288 -10.489 11.191 478 HD22 LEU 64 2HD2 LEU 64 -6.769 -9.236 10.038 479 HD23 LEU 64 3HD2 LEU 64 -5.711 -9.689 11.396 480 H LYS 65 HN LYS 65 -9.521 -5.248 9.860 481 HA LYS 65 HA LYS 65 -10.392 -6.071 7.385 482 HB2 LYS 65 2HB LYS 65 -12.006 -4.454 7.600 483 HB3 LYS 65 3HB LYS 65 -11.498 -4.626 9.268 484 HG2 LYS 65 2HG LYS 65 -9.726 -2.724 8.545 485 HG3 LYS 65 3HG LYS 65 -10.946 -2.380 7.335 486 HD2 LYS 65 2HD LYS 65 -11.734 -2.695 10.251 487 HD3 LYS 65 3HD LYS 65 -11.081 -1.174 9.674 488 HE2 LYS 65 2HE LYS 65 -13.604 -2.587 8.707 489 HE3 LYS 65 3HE LYS 65 -13.497 -1.031 9.506 490 HZ1 LYS 65 1HZ LYS 65 -13.714 -1.048 6.964 491 HZ2 LYS 65 2HZ LYS 65 -12.584 -0.054 7.587 492 H LEU 66 HN LEU 66 -7.675 -4.059 8.240 493 HA LEU 66 HA LEU 66 -7.538 -2.988 5.529 494 HB2 LEU 66 2HB LEU 66 -6.013 -2.365 8.058 495 HB3 LEU 66 3HB LEU 66 -5.626 -1.678 6.493 496 HG LEU 66 HG LEU 66 -8.092 -1.235 8.175 497 HD11 LEU 66 1HD1 LEU 66 -5.991 0.114 8.540 498 HD12 LEU 66 2HD1 LEU 66 -6.228 0.782 6.907 499 HD13 LEU 66 3HD1 LEU 66 -7.457 1.052 8.166 500 HD21 LEU 66 1HD2 LEU 66 -7.794 -1.000 5.224 501 HD22 LEU 66 2HD2 LEU 66 -9.232 -1.343 6.216 502 HD23 LEU 66 3HD2 LEU 66 -8.628 0.325 6.071 503 H PHE 67 HN PHE 67 -7.222 -5.891 6.178 504 HA PHE 67 HA PHE 67 -4.455 -6.477 6.101 505 HB2 PHE 67 2HB PHE 67 -6.025 -8.130 6.941 506 HB3 PHE 67 3HB PHE 67 -7.111 -7.900 5.585 507 HD1 PHE 67 HD1 PHE 67 -3.586 -8.987 6.199 508 HD2 PHE 67 HD2 PHE 67 -7.165 -9.559 3.991 509 HE1 PHE 67 HE1 PHE 67 -2.556 -10.960 5.040 510 HE2 PHE 67 HE2 PHE 67 -6.134 -11.532 2.832 511 HZ PHE 67 HZ PHE 67 -3.842 -12.209 3.370 512 H LEU 68 HN LEU 68 -6.422 -5.017 3.806 513 HA LEU 68 HA LEU 68 -5.112 -6.368 1.567 514 HB2 LEU 68 2HB LEU 68 -7.525 -4.574 1.772 515 HB3 LEU 68 3HB LEU 68 -6.777 -4.978 0.239 516 HG LEU 68 HG LEU 68 -8.261 -6.765 2.150 517 HD11 LEU 68 1HD1 LEU 68 -8.502 -6.010 -0.757 518 HD12 LEU 68 2HD1 LEU 68 -9.288 -7.467 -0.103 519 HD13 LEU 68 3HD1 LEU 68 -9.701 -5.864 0.550 520 HD21 LEU 68 1HD2 LEU 68 -7.530 -8.713 0.766 521 HD22 LEU 68 2HD2 LEU 68 -6.297 -7.663 0.028 522 HD23 LEU 68 3HD2 LEU 68 -6.247 -8.003 1.774 523 H GLN 69 HN GLN 69 -5.050 -3.510 3.565 524 HA GLN 69 HA GLN 69 -3.826 -1.887 1.576 525 HB2 GLN 69 2HB GLN 69 -4.455 -1.603 4.517 526 HB3 GLN 69 3HB GLN 69 -3.330 -0.480 3.779 527 HG2 GLN 69 2HG GLN 69 -5.023 0.137 2.070 528 HG3 GLN 69 3HG GLN 69 -6.144 -1.039 2.727 529 HE21 GLN 69 1HE2 GLN 69 -7.695 0.461 3.213 530 HE22 GLN 69 2HE2 GLN 69 -7.566 1.603 4.509 531 H ASN 70 HN ASN 70 -2.756 -4.607 3.080 532 HA ASN 70 HA ASN 70 -0.226 -3.680 3.969 533 HB2 ASN 70 2HB ASN 70 -0.799 -6.575 3.256 534 HB3 ASN 70 3HB ASN 70 0.177 -5.949 4.570 535 HD21 ASN 70 1HD2 ASN 70 -1.741 -3.912 5.342 536 HD22 ASN 70 2HD2 ASN 70 -3.043 -4.701 6.169 537 H PHE 71 HN PHE 71 -1.559 -5.592 1.177 538 HA PHE 71 HA PHE 71 1.012 -5.607 -0.124 539 HB2 PHE 71 2HB PHE 71 -1.820 -6.451 -0.987 540 HB3 PHE 71 3HB PHE 71 -0.352 -6.885 -1.841 541 HD1 PHE 71 HD1 PHE 71 0.999 -8.707 -1.117 542 HD2 PHE 71 HD2 PHE 71 -2.256 -7.407 1.275 543 HE1 PHE 71 HE1 PHE 71 1.203 -10.778 0.286 544 HE2 PHE 71 HE2 PHE 71 -2.052 -9.479 2.678 545 HZ PHE 71 HZ PHE 71 -0.325 -11.139 2.166 546 H LYS 72 HN LYS 72 -0.817 -3.078 0.422 547 HA LYS 72 HA LYS 72 -0.012 -1.653 -1.815 548 HB2 LYS 72 2HB LYS 72 -1.995 -3.240 -2.666 549 HB3 LYS 72 3HB LYS 72 -2.977 -1.941 -2.021 550 HG2 LYS 72 2HG LYS 72 -2.134 -0.354 -3.535 551 HG3 LYS 72 3HG LYS 72 -0.616 -1.203 -3.750 552 HD2 LYS 72 2HD LYS 72 -1.834 -1.535 -5.791 553 HD3 LYS 72 3HD LYS 72 -1.931 -3.059 -4.932 554 HE2 LYS 72 2HE LYS 72 -4.103 -0.968 -4.568 555 HE3 LYS 72 3HE LYS 72 -4.125 -2.022 -5.968 556 HZ1 LYS 72 1HZ LYS 72 -3.705 -3.763 -3.936 557 HZ2 LYS 72 2HZ LYS 72 -4.684 -2.679 -3.217 558 H ALA 73 HN ALA 73 -0.269 0.568 -1.448 559 HA ALA 73 HA ALA 73 -1.329 1.177 1.194 560 HB1 ALA 73 1HB ALA 73 1.008 1.851 0.060 561 HB2 ALA 73 2HB ALA 73 0.028 3.211 -0.538 562 HB3 ALA 73 3HB ALA 73 0.174 2.922 1.212 563 H GLY 74 HN GLY 74 -3.119 0.499 -1.094 564 HA2 GLY 74 1HA GLY 74 -4.872 2.775 -0.849 565 HA3 GLY 74 2HA GLY 74 -4.230 2.555 -2.464 566 H ALA 75 HN ALA 75 -4.684 -0.229 -0.294 567 HA ALA 75 HA ALA 75 -6.518 -1.370 -2.200 568 HB1 ALA 75 1HB ALA 75 -4.524 -2.388 -0.656 569 HB2 ALA 75 2HB ALA 75 -5.930 -2.737 0.378 570 HB3 ALA 75 3HB ALA 75 -5.874 -3.361 -1.288 571 H ARG 76 HN ARG 76 -8.444 -2.689 -1.061 572 HA ARG 76 HA ARG 76 -9.973 -0.621 0.205 573 HB2 ARG 76 2HB ARG 76 -11.904 -2.110 -0.208 574 HB3 ARG 76 3HB ARG 76 -10.947 -1.960 -1.668 575 HG2 ARG 76 2HG ARG 76 -10.961 -4.241 -1.704 576 HG3 ARG 76 3HG ARG 76 -9.735 -4.135 -0.455 577 HD2 ARG 76 2HD ARG 76 -11.265 -4.580 1.286 578 HD3 ARG 76 3HD ARG 76 -12.642 -4.000 0.370 579 HE ARG 76 HE ARG 76 -11.375 -6.358 -0.823 580 HH11 ARG 76 HH1 ARG 76 -13.943 -8.517 0.078 581 HH21 ARG 76 1HH2 ARG 76 -14.681 -6.730 1.493 582 HH22 ARG 76 2HH2 ARG 76 -13.784 -5.248 1.527 583 H ALA 77 HN ALA 77 -11.791 -2.014 1.802 584 HA ALA 77 HA ALA 77 -10.054 -3.296 3.800 585 HB1 ALA 77 1HB ALA 77 -11.783 -2.273 5.436 586 HB2 ALA 77 2HB ALA 77 -10.583 -1.179 4.707 587 HB3 ALA 77 3HB ALA 77 -12.246 -1.224 4.075 588 H LEU 78 HN LEU 78 -10.934 -5.098 4.918 589 HA LEU 78 HA LEU 78 -12.821 -6.568 3.394 590 HB2 LEU 78 2HB LEU 78 -11.523 -7.070 6.074 591 HB3 LEU 78 3HB LEU 78 -12.562 -8.218 5.254 592 HG LEU 78 HG LEU 78 -10.432 -8.959 4.723 593 HD11 LEU 78 1HD1 LEU 78 -10.083 -8.540 2.341 594 HD12 LEU 78 2HD1 LEU 78 -11.810 -8.759 2.712 595 HD13 LEU 78 3HD1 LEU 78 -11.163 -7.127 2.421 596 HD21 LEU 78 1HD2 LEU 78 -8.522 -7.618 4.199 597 HD22 LEU 78 2HD2 LEU 78 -9.514 -6.144 4.090 598 HD23 LEU 78 3HD2 LEU 78 -9.281 -6.947 5.662 599 H SER 79 HN SER 79 -14.821 -7.576 4.411 600 HA SER 79 HA SER 79 -16.423 -5.449 5.343 601 HB2 SER 79 2HB SER 79 -17.326 -7.159 3.831 602 HB3 SER 79 3HB SER 79 -16.982 -8.426 4.992 603 HG SER 79 HG SER 79 -19.183 -6.798 4.817 604 H ASP 80 HN ASP 80 -17.955 -5.839 7.330 605 HA ASP 80 HA ASP 80 -16.389 -5.948 9.578 606 HB2 ASP 80 2HB ASP 80 -19.385 -6.504 9.346 607 HB3 ASP 80 3HB ASP 80 -18.554 -6.046 10.820 608 HD2 ASP 80 HD2 ASP 80 -17.898 -3.563 10.818 609 H ALA 81 HN ALA 81 -17.955 -8.458 7.651 610 HA ALA 81 HA ALA 81 -17.813 -10.429 9.769 611 HB1 ALA 81 1HB ALA 81 -18.596 -10.695 6.838 612 HB2 ALA 81 2HB ALA 81 -18.885 -11.885 8.130 613 HB3 ALA 81 3HB ALA 81 -19.724 -10.315 8.162 614 H GLU 82 HN GLU 82 -16.441 -9.956 6.432 615 HA GLU 82 HA GLU 82 -14.794 -12.034 6.310 616 HB2 GLU 82 2HB GLU 82 -14.333 -9.159 5.436 617 HB3 GLU 82 3HB GLU 82 -13.206 -10.437 5.025 618 HG2 GLU 82 2HG GLU 82 -14.711 -11.511 3.596 619 HG3 GLU 82 3HG GLU 82 -16.120 -10.954 4.477 620 HE2 GLU 82 HE2 GLU 82 -13.759 -8.435 3.021 621 H THR 83 HN THR 83 -14.084 -8.907 7.998 622 HA THR 83 HA THR 83 -11.504 -9.680 8.848 623 HB THR 83 HB THR 83 -13.530 -7.572 9.747 624 HG1 THR 83 HG1 THR 83 -11.081 -7.788 8.153 625 HG21 THR 83 1HG2 THR 83 -10.721 -6.977 10.293 626 HG22 THR 83 2HG2 THR 83 -12.108 -6.904 11.407 627 HG23 THR 83 3HG2 THR 83 -11.223 -8.432 11.188 628 H LYS 84 HN LYS 84 -14.779 -10.109 10.217 629 HA LYS 84 HA LYS 84 -13.936 -10.880 12.769 630 HB2 LYS 84 2HB LYS 84 -16.423 -11.005 11.160 631 HB3 LYS 84 3HB LYS 84 -16.299 -12.186 12.448 632 HG2 LYS 84 2HG LYS 84 -15.744 -9.219 12.886 633 HG3 LYS 84 3HG LYS 84 -17.339 -9.918 13.083 634 HD2 LYS 84 2HD LYS 84 -16.490 -11.464 14.820 635 HD3 LYS 84 3HD LYS 84 -14.854 -10.884 14.574 636 HE2 LYS 84 2HE LYS 84 -15.419 -8.668 15.409 637 HE3 LYS 84 3HE LYS 84 -17.134 -9.030 15.394 638 HZ1 LYS 84 1HZ LYS 84 -15.235 -9.625 17.423 639 HZ2 LYS 84 2HZ LYS 84 -16.858 -9.730 17.498 640 H ALA 85 HN ALA 85 -14.431 -12.698 9.702 641 HA ALA 85 HA ALA 85 -13.950 -15.224 10.902 642 HB1 ALA 85 1HB ALA 85 -14.432 -16.028 8.814 643 HB2 ALA 85 2HB ALA 85 -15.071 -14.383 8.584 644 HB3 ALA 85 3HB ALA 85 -13.444 -14.796 7.994 645 H PHE 86 HN PHE 86 -11.964 -12.787 9.133 646 HA PHE 86 HA PHE 86 -9.644 -14.422 9.149 647 HB2 PHE 86 2HB PHE 86 -10.321 -12.441 7.602 648 HB3 PHE 86 3HB PHE 86 -9.965 -11.370 8.943 649 HD1 PHE 86 HD1 PHE 86 -8.160 -10.148 8.065 650 HD2 PHE 86 HD2 PHE 86 -8.040 -14.389 7.974 651 HE1 PHE 86 HE1 PHE 86 -5.753 -10.065 7.359 652 HE2 PHE 86 HE2 PHE 86 -5.633 -14.306 7.268 653 HZ PHE 86 HZ PHE 86 -4.518 -12.145 6.969 654 H LEU 87 HN LEU 87 -11.284 -12.662 11.591 655 HA LEU 87 HA LEU 87 -8.892 -11.902 13.014 656 HB2 LEU 87 2HB LEU 87 -10.707 -10.396 13.137 657 HB3 LEU 87 3HB LEU 87 -11.844 -11.664 13.548 658 HG LEU 87 HG LEU 87 -10.778 -11.940 15.745 659 HD11 LEU 87 1HD1 LEU 87 -8.942 -10.755 16.504 660 HD12 LEU 87 2HD1 LEU 87 -8.502 -11.092 14.813 661 HD13 LEU 87 3HD1 LEU 87 -9.113 -9.484 15.269 662 HD21 LEU 87 1HD2 LEU 87 -11.297 -9.530 16.587 663 HD22 LEU 87 2HD2 LEU 87 -11.824 -9.252 14.909 664 HD23 LEU 87 3HD2 LEU 87 -12.598 -10.523 15.886 665 H LYS 88 HN LYS 88 -11.665 -14.202 13.474 666 HA LYS 88 HA LYS 88 -10.357 -15.446 15.683 667 HB2 LYS 88 2HB LYS 88 -12.920 -15.782 14.189 668 HB3 LYS 88 3HB LYS 88 -12.324 -17.162 15.089 669 HG2 LYS 88 2HG LYS 88 -11.947 -15.300 17.001 670 HG3 LYS 88 3HG LYS 88 -13.200 -14.463 16.107 671 HD2 LYS 88 2HD LYS 88 -14.817 -16.121 16.538 672 HD3 LYS 88 3HD LYS 88 -13.622 -17.380 16.773 673 HE2 LYS 88 2HE LYS 88 -13.076 -16.636 18.970 674 HE3 LYS 88 3HE LYS 88 -13.741 -15.037 18.699 675 HZ1 LYS 88 1HZ LYS 88 -15.972 -16.128 18.547 676 HZ2 LYS 88 2HZ LYS 88 -15.301 -17.548 18.978 677 H ALA 89 HN ALA 89 -10.575 -15.934 12.161 678 HA ALA 89 HA ALA 89 -9.790 -18.544 11.949 679 HB1 ALA 89 1HB ALA 89 -10.423 -17.379 9.990 680 HB2 ALA 89 2HB ALA 89 -9.256 -16.068 10.285 681 HB3 ALA 89 3HB ALA 89 -8.680 -17.675 9.780 682 H GLY 90 HN GLY 90 -7.923 -15.680 12.927 683 HA2 GLY 90 1HA GLY 90 -5.510 -17.383 13.110 684 HA3 GLY 90 2HA GLY 90 -5.498 -15.653 12.832 685 H ASP 91 HN ASP 91 -6.979 -14.408 14.618 686 HA ASP 91 HA ASP 91 -5.587 -14.567 16.946 687 HB2 ASP 91 2HB ASP 91 -7.364 -12.825 15.954 688 HB3 ASP 91 3HB ASP 91 -8.484 -13.699 16.979 689 HD2 ASP 91 HD2 ASP 91 -7.361 -10.761 17.732 690 H SER 92 HN SER 92 -5.501 -16.774 17.747 691 HA SER 92 HA SER 92 -7.772 -18.348 18.028 692 HB2 SER 92 2HB SER 92 -4.940 -18.527 18.590 693 HB3 SER 92 3HB SER 92 -5.820 -19.114 19.987 694 HG SER 92 HG SER 92 -5.448 -20.834 18.487 695 H ASP 93 HN ASP 93 -5.881 -16.504 20.396 696 HA ASP 93 HA ASP 93 -7.678 -16.938 22.622 697 HB2 ASP 93 2HB ASP 93 -6.275 -15.000 23.539 698 HB3 ASP 93 3HB ASP 93 -5.368 -16.414 23.006 699 H GLY 94 HN GLY 94 -7.815 -14.828 19.794 700 HA2 GLY 94 1HA GLY 94 -8.998 -12.934 19.370 701 HA3 GLY 94 2HA GLY 94 -10.294 -13.886 20.065 702 H ASP 95 HN ASP 95 -7.515 -11.769 21.061 703 HA ASP 95 HA ASP 95 -8.952 -11.129 23.470 704 HB2 ASP 95 2HB ASP 95 -6.296 -9.981 22.512 705 HB3 ASP 95 3HB ASP 95 -6.909 -9.997 24.154 706 HD2 ASP 95 HD2 ASP 95 -7.555 -13.001 23.014 707 H GLY 96 HN GLY 96 -8.555 -10.029 20.216 708 HA2 GLY 96 1HA GLY 96 -10.160 -8.229 19.654 709 HA3 GLY 96 2HA GLY 96 -9.427 -7.296 20.944 710 H LYS 97 HN LYS 97 -6.953 -9.170 19.634 711 HA LYS 97 HA LYS 97 -6.406 -7.389 17.412 712 HB2 LYS 97 2HB LYS 97 -4.436 -7.634 19.701 713 HB3 LYS 97 3HB LYS 97 -4.258 -6.674 18.246 714 HG2 LYS 97 2HG LYS 97 -6.224 -5.290 18.894 715 HG3 LYS 97 3HG LYS 97 -6.459 -6.271 20.326 716 HD2 LYS 97 2HD LYS 97 -3.944 -4.643 19.724 717 HD3 LYS 97 3HD LYS 97 -5.226 -4.137 20.806 718 HE2 LYS 97 2HE LYS 97 -4.823 -6.219 22.191 719 HE3 LYS 97 3HE LYS 97 -3.477 -6.621 21.143 720 HZ1 LYS 97 1HZ LYS 97 -2.553 -4.360 21.751 721 HZ2 LYS 97 2HZ LYS 97 -3.701 -4.245 22.900 722 H ILE 98 HN ILE 98 -4.296 -8.154 16.282 723 HA ILE 98 HA ILE 98 -4.034 -11.054 16.640 724 HB ILE 98 HB ILE 98 -4.768 -9.496 14.215 725 HG12 ILE 98 2HG1 ILE 98 -5.562 -12.075 15.537 726 HG13 ILE 98 3HG1 ILE 98 -6.556 -10.706 15.080 727 HG21 ILE 98 1HG2 ILE 98 -3.876 -11.227 12.727 728 HG22 ILE 98 2HG2 ILE 98 -2.578 -10.377 13.600 729 HG23 ILE 98 3HG2 ILE 98 -3.074 -12.008 14.111 730 HD11 ILE 98 1HD1 ILE 98 -5.295 -12.774 13.234 731 HD12 ILE 98 2HD1 ILE 98 -7.026 -12.446 13.485 732 HD13 ILE 98 3HD1 ILE 98 -6.010 -11.258 12.634 733 H GLY 99 HN GLY 99 -2.019 -11.317 17.456 734 HA2 GLY 99 1HA GLY 99 0.086 -9.446 16.789 735 HA3 GLY 99 2HA GLY 99 0.164 -10.802 17.895 736 H ILE 100 HN ILE 100 2.301 -11.223 16.836 737 HA ILE 100 HA ILE 100 2.229 -12.096 14.100 738 HB ILE 100 HB ILE 100 4.117 -10.926 15.554 739 HG12 ILE 100 2HG1 ILE 100 4.248 -11.170 13.172 740 HG13 ILE 100 3HG1 ILE 100 5.757 -11.724 13.869 741 HG21 ILE 100 1HG2 ILE 100 4.215 -12.981 17.058 742 HG22 ILE 100 2HG2 ILE 100 5.010 -13.806 15.696 743 HG23 ILE 100 3HG2 ILE 100 5.760 -12.365 16.425 744 HD11 ILE 100 1HD1 ILE 100 4.299 -14.069 13.856 745 HD12 ILE 100 2HD1 ILE 100 3.682 -13.254 12.399 746 HD13 ILE 100 3HD1 ILE 100 5.425 -13.574 12.569 747 H ASP 101 HN ASP 101 2.288 -13.532 17.386 748 HA ASP 101 HA ASP 101 2.737 -16.136 16.481 749 HB2 ASP 101 2HB ASP 101 1.133 -15.619 18.977 750 HB3 ASP 101 3HB ASP 101 2.438 -16.761 18.722 751 HD2 ASP 101 HD2 ASP 101 4.663 -15.407 20.028 752 H GLU 102 HN GLU 102 0.015 -13.979 16.405 753 HA GLU 102 HA GLU 102 -1.861 -16.188 16.274 754 HB2 GLU 102 2HB GLU 102 -2.242 -13.179 16.536 755 HB3 GLU 102 3HB GLU 102 -3.578 -14.278 16.263 756 HG2 GLU 102 2HG GLU 102 -3.294 -15.358 18.364 757 HG3 GLU 102 3HG GLU 102 -1.640 -14.807 18.535 758 H PHE 103 HN PHE 103 -0.504 -13.434 14.405 759 HA PHE 103 HA PHE 103 -2.181 -13.906 12.152 760 HB2 PHE 103 2HB PHE 103 -1.242 -11.683 12.593 761 HB3 PHE 103 3HB PHE 103 0.373 -12.335 12.793 762 HD1 PHE 103 HD1 PHE 103 1.841 -12.493 10.963 763 HD2 PHE 103 HD2 PHE 103 -2.275 -11.725 10.270 764 HE1 PHE 103 HE1 PHE 103 2.338 -12.004 8.552 765 HE2 PHE 103 HE2 PHE 103 -1.777 -11.236 7.859 766 HZ PHE 103 HZ PHE 103 0.523 -11.381 7.029 767 H ALA 104 HN ALA 104 0.900 -15.154 13.348 768 HA ALA 104 HA ALA 104 1.625 -16.190 10.741 769 HB1 ALA 104 1HB ALA 104 2.924 -16.499 13.478 770 HB2 ALA 104 2HB ALA 104 3.641 -16.958 11.915 771 HB3 ALA 104 3HB ALA 104 3.327 -15.245 12.281 772 H ALA 105 HN ALA 105 -0.425 -17.028 13.343 773 HA ALA 105 HA ALA 105 0.034 -19.858 13.229 774 HB1 ALA 105 1HB ALA 105 -1.127 -19.800 15.156 775 HB2 ALA 105 2HB ALA 105 -1.171 -18.028 14.991 776 HB3 ALA 105 3HB ALA 105 -2.515 -19.014 14.366 777 H MET 106 HN MET 106 -2.601 -17.581 12.186 778 HA MET 106 HA MET 106 -4.227 -19.408 11.030 779 HB2 MET 106 2HB MET 106 -4.930 -17.444 9.546 780 HB3 MET 106 3HB MET 106 -4.856 -17.052 11.252 781 HG2 MET 106 2HG MET 106 -2.378 -16.308 10.743 782 HG3 MET 106 3HG MET 106 -2.882 -16.304 9.065 783 HE1 MET 106 1HE MET 106 -6.240 -14.071 9.685 784 HE2 MET 106 2HE MET 106 -5.648 -15.526 8.850 785 HE3 MET 106 3HE MET 106 -6.159 -15.623 10.552 786 H ILE 107 HN ILE 107 -1.027 -18.480 10.032 787 HA ILE 107 HA ILE 107 -1.498 -19.626 7.373 788 HB ILE 107 HB ILE 107 0.944 -18.571 7.161 789 HG12 ILE 107 2HG1 ILE 107 -0.425 -16.847 9.246 790 HG13 ILE 107 3HG1 ILE 107 1.041 -17.779 9.473 791 HG21 ILE 107 1HG2 ILE 107 -1.386 -16.692 6.946 792 HG22 ILE 107 2HG2 ILE 107 -0.015 -16.940 5.839 793 HG23 ILE 107 3HG2 ILE 107 -1.317 -18.150 5.928 794 HD11 ILE 107 1HD1 ILE 107 1.407 -15.309 8.971 795 HD12 ILE 107 2HD1 ILE 107 2.265 -16.424 7.880 796 HD13 ILE 107 3HD1 ILE 107 0.772 -15.620 7.337 797 H LYS 108 HN LYS 108 0.414 -19.821 10.395 798 HA LYS 108 HA LYS 108 2.121 -21.872 9.449 799 HB2 LYS 108 2HB LYS 108 2.866 -20.484 11.240 800 HB3 LYS 108 3HB LYS 108 1.439 -20.818 12.200 801 HG2 LYS 108 2HG LYS 108 2.145 -22.989 12.762 802 HG3 LYS 108 3HG LYS 108 3.139 -23.155 11.329 803 HD2 LYS 108 2HD LYS 108 4.896 -21.826 12.233 804 HD3 LYS 108 3HD LYS 108 3.851 -21.081 13.425 805 HE2 LYS 108 2HE LYS 108 4.292 -24.078 13.514 806 HE3 LYS 108 3HE LYS 108 5.532 -23.011 14.144 807 HZ1 LYS 108 1HZ LYS 108 4.181 -23.306 15.983 808 HZ2 LYS 108 2HZ LYS 108 3.503 -21.950 15.389 809 H GLY 109 HN GLY 109 -1.213 -21.769 10.252 810 HA2 GLY 109 1HA GLY 109 -1.397 -24.644 10.006 811 HA3 GLY 109 2HA GLY 109 -1.837 -24.027 11.587 Start of MODEL 9 1 H SER 0 HN SER 0 2.130 0.182 0.645 2 HA SER 0 HA SER 0 2.264 0.247 -2.138 3 HB2 SER 0 2HB SER 0 4.070 1.843 -1.820 4 HB3 SER 0 3HB SER 0 2.844 2.147 -0.606 5 HG SER 0 HG SER 0 4.914 2.171 0.384 6 H MET 1 HN MET 1 2.513 -2.319 -2.105 7 HA MET 1 HA MET 1 3.733 -4.118 -2.354 8 HB2 MET 1 2HB MET 1 4.343 -2.470 -4.333 9 HB3 MET 1 3HB MET 1 5.893 -2.308 -3.532 10 HG2 MET 1 2HG MET 1 5.855 -4.973 -3.538 11 HG3 MET 1 3HG MET 1 4.675 -4.767 -4.817 12 HE1 MET 1 1HE MET 1 6.011 -1.829 -6.155 13 HE2 MET 1 2HE MET 1 6.497 -2.833 -7.542 14 HE3 MET 1 3HE MET 1 4.958 -3.153 -6.707 15 H ALA 2 HN ALA 2 4.050 -3.160 0.253 16 HA ALA 2 HA ALA 2 6.778 -2.842 0.947 17 HB1 ALA 2 1HB ALA 2 5.516 -3.650 3.242 18 HB2 ALA 2 2HB ALA 2 5.511 -1.979 2.627 19 HB3 ALA 2 3HB ALA 2 4.139 -3.060 2.281 20 H PHE 3 HN PHE 3 4.605 -5.591 0.396 21 HA PHE 3 HA PHE 3 6.107 -7.497 1.808 22 HB2 PHE 3 2HB PHE 3 3.934 -7.300 -0.258 23 HB3 PHE 3 3HB PHE 3 4.830 -8.804 -0.318 24 HD1 PHE 3 HD1 PHE 3 2.528 -6.763 1.651 25 HD2 PHE 3 HD2 PHE 3 4.715 -10.397 1.522 26 HE1 PHE 3 HE1 PHE 3 1.138 -7.666 3.536 27 HE2 PHE 3 HE2 PHE 3 3.326 -11.300 3.407 28 HZ PHE 3 HZ PHE 3 1.554 -9.924 4.391 29 H ALA 4 HN ALA 4 6.908 -5.670 -0.947 30 HA ALA 4 HA ALA 4 8.040 -7.426 -2.702 31 HB1 ALA 4 1HB ALA 4 9.102 -4.719 -1.793 32 HB2 ALA 4 2HB ALA 4 9.499 -5.538 -3.323 33 HB3 ALA 4 3HB ALA 4 7.836 -4.981 -3.017 34 H SER 5 HN SER 5 10.122 -8.391 -2.949 35 HA SER 5 HA SER 5 12.117 -9.097 -2.334 36 HB2 SER 5 2HB SER 5 11.886 -8.043 0.490 37 HB3 SER 5 3HB SER 5 13.325 -8.266 -0.484 38 HG SER 5 HG SER 5 12.294 -5.984 -0.130 39 H VAL 6 HN VAL 6 9.104 -9.789 -1.137 40 HA VAL 6 HA VAL 6 10.086 -12.081 0.418 41 HB VAL 6 HB VAL 6 7.358 -10.790 0.531 42 HG11 VAL 6 1HG1 VAL 6 8.680 -12.599 2.569 43 HG12 VAL 6 2HG1 VAL 6 6.970 -12.117 2.460 44 HG13 VAL 6 3HG1 VAL 6 7.663 -13.217 1.245 45 HG21 VAL 6 1HG2 VAL 6 8.045 -9.666 2.562 46 HG22 VAL 6 2HG2 VAL 6 9.667 -10.394 2.463 47 HG23 VAL 6 3HG2 VAL 6 9.147 -9.208 1.241 48 H LEU 7 HN LEU 7 7.273 -11.058 -1.654 49 HA LEU 7 HA LEU 7 7.557 -13.637 -3.021 50 HB2 LEU 7 2HB LEU 7 4.864 -12.431 -2.498 51 HB3 LEU 7 3HB LEU 7 5.279 -14.075 -2.942 52 HG LEU 7 HG LEU 7 6.217 -13.024 -0.296 53 HD11 LEU 7 1HD1 LEU 7 3.583 -12.701 -0.934 54 HD12 LEU 7 2HD1 LEU 7 3.580 -14.331 -0.220 55 HD13 LEU 7 3HD1 LEU 7 4.215 -12.952 0.710 56 HD21 LEU 7 1HD2 LEU 7 6.051 -15.319 0.384 57 HD22 LEU 7 2HD2 LEU 7 5.212 -15.759 -1.123 58 HD23 LEU 7 3HD2 LEU 7 6.918 -15.251 -1.169 59 H LYS 8 HN LYS 8 5.791 -13.389 -5.053 60 HA LYS 8 HA LYS 8 7.017 -11.305 -6.598 61 HB2 LYS 8 2HB LYS 8 6.338 -13.781 -7.244 62 HB3 LYS 8 3HB LYS 8 4.795 -13.039 -7.619 63 HG2 LYS 8 2HG LYS 8 5.743 -11.600 -9.272 64 HG3 LYS 8 3HG LYS 8 7.370 -11.808 -8.655 65 HD2 LYS 8 2HD LYS 8 7.042 -14.346 -9.280 66 HD3 LYS 8 3HD LYS 8 5.702 -13.777 -10.256 67 HE2 LYS 8 2HE LYS 8 7.434 -12.049 -11.231 68 HE3 LYS 8 3HE LYS 8 8.651 -13.104 -10.540 69 HZ1 LYS 8 1HZ LYS 8 8.403 -14.327 -12.397 70 HZ2 LYS 8 2HZ LYS 8 6.936 -14.797 -11.868 71 H ASP 9 HN ASP 9 6.288 -9.258 -6.745 72 HA ASP 9 HA ASP 9 4.010 -8.441 -5.439 73 HB2 ASP 9 2HB ASP 9 5.696 -6.812 -5.893 74 HB3 ASP 9 3HB ASP 9 5.762 -7.222 -7.596 75 HD2 ASP 9 HD2 ASP 9 2.300 -5.607 -6.794 76 H ALA 10 HN ALA 10 4.531 -9.897 -8.585 77 HA ALA 10 HA ALA 10 2.091 -8.855 -9.731 78 HB1 ALA 10 1HB ALA 10 4.251 -9.300 -11.001 79 HB2 ALA 10 2HB ALA 10 3.929 -11.036 -10.781 80 HB3 ALA 10 3HB ALA 10 2.788 -10.029 -11.705 81 H GLU 11 HN GLU 11 3.098 -11.420 -7.635 82 HA GLU 11 HA GLU 11 0.956 -13.147 -8.461 83 HB2 GLU 11 2HB GLU 11 3.204 -13.333 -6.442 84 HB3 GLU 11 3HB GLU 11 1.861 -14.455 -6.353 85 HG2 GLU 11 2HG GLU 11 3.201 -14.020 -9.028 86 HG3 GLU 11 3HG GLU 11 4.020 -15.007 -7.832 87 HE2 GLU 11 HE2 GLU 11 2.998 -17.066 -9.648 88 H VAL 12 HN VAL 12 2.000 -11.657 -5.302 89 HA VAL 12 HA VAL 12 -0.196 -12.127 -3.828 90 HB VAL 12 HB VAL 12 0.372 -10.122 -2.574 91 HG11 VAL 12 1HG1 VAL 12 2.438 -10.852 -1.840 92 HG12 VAL 12 2HG1 VAL 12 1.865 -12.284 -2.728 93 HG13 VAL 12 3HG1 VAL 12 3.033 -11.176 -3.487 94 HG21 VAL 12 1HG2 VAL 12 0.775 -8.772 -4.765 95 HG22 VAL 12 2HG2 VAL 12 1.747 -8.397 -3.322 96 HG23 VAL 12 3HG2 VAL 12 2.443 -9.379 -4.633 97 H THR 13 HN THR 13 0.103 -9.932 -6.594 98 HA THR 13 HA THR 13 -2.026 -8.246 -6.186 99 HB THR 13 HB THR 13 -0.186 -8.645 -8.141 100 HG1 THR 13 HG1 THR 13 -2.910 -7.565 -8.326 101 HG21 THR 13 1HG2 THR 13 -1.471 -9.187 -10.242 102 HG22 THR 13 2HG2 THR 13 -1.314 -10.601 -9.173 103 HG23 THR 13 3HG2 THR 13 -2.847 -9.699 -9.237 104 H ALA 14 HN ALA 14 -2.098 -11.551 -7.665 105 HA ALA 14 HA ALA 14 -4.849 -11.546 -8.125 106 HB1 ALA 14 1HB ALA 14 -2.670 -13.605 -7.867 107 HB2 ALA 14 2HB ALA 14 -4.365 -14.147 -7.915 108 HB3 ALA 14 3HB ALA 14 -3.694 -13.203 -9.267 109 H ALA 15 HN ALA 15 -2.863 -12.299 -5.241 110 HA ALA 15 HA ALA 15 -4.919 -13.514 -3.763 111 HB1 ALA 15 1HB ALA 15 -3.408 -13.231 -1.892 112 HB2 ALA 15 2HB ALA 15 -2.440 -13.636 -3.330 113 HB3 ALA 15 3HB ALA 15 -2.511 -11.955 -2.749 114 H LEU 16 HN LEU 16 -4.290 -10.216 -4.721 115 HA LEU 16 HA LEU 16 -5.833 -9.115 -2.538 116 HB2 LEU 16 2HB LEU 16 -4.432 -7.919 -4.925 117 HB3 LEU 16 3HB LEU 16 -5.423 -6.975 -3.830 118 HG LEU 16 HG LEU 16 -3.174 -8.636 -2.729 119 HD11 LEU 16 1HD1 LEU 16 -2.703 -6.813 -4.755 120 HD12 LEU 16 2HD1 LEU 16 -2.414 -5.870 -3.273 121 HD13 LEU 16 3HD1 LEU 16 -1.523 -7.385 -3.552 122 HD21 LEU 16 1HD2 LEU 16 -3.486 -6.035 -1.563 123 HD22 LEU 16 2HD2 LEU 16 -5.075 -6.829 -1.665 124 HD23 LEU 16 3HD2 LEU 16 -3.729 -7.639 -0.829 125 H ASP 17 HN ASP 17 -6.078 -9.447 -6.143 126 HA ASP 17 HA ASP 17 -8.695 -8.425 -6.161 127 HB2 ASP 17 2HB ASP 17 -6.832 -8.747 -8.067 128 HB3 ASP 17 3HB ASP 17 -7.653 -10.276 -8.312 129 HD2 ASP 17 HD2 ASP 17 -9.145 -8.470 -10.682 130 H GLY 18 HN GLY 18 -7.304 -11.400 -5.170 131 HA2 GLY 18 1HA GLY 18 -9.139 -13.311 -6.103 132 HA3 GLY 18 2HA GLY 18 -8.113 -13.441 -4.688 133 H CYS 19 HN CYS 19 -9.581 -10.647 -3.950 134 HA CYS 19 HA CYS 19 -12.039 -11.905 -2.992 135 HB2 CYS 19 2HB CYS 19 -11.727 -10.686 -0.815 136 HB3 CYS 19 3HB CYS 19 -10.615 -12.014 -1.083 137 HG CYS 19 HG CYS 19 -10.195 -8.755 -1.346 138 H LYS 20 HN LYS 20 -11.144 -10.014 -5.252 139 HA LYS 20 HA LYS 20 -11.646 -7.400 -4.806 140 HB2 LYS 20 2HB LYS 20 -12.335 -7.273 -7.147 141 HB3 LYS 20 3HB LYS 20 -10.937 -8.310 -6.950 142 HG2 LYS 20 2HG LYS 20 -12.812 -10.222 -6.720 143 HG3 LYS 20 3HG LYS 20 -13.785 -9.065 -7.606 144 HD2 LYS 20 2HD LYS 20 -11.002 -9.633 -8.623 145 HD3 LYS 20 3HD LYS 20 -12.225 -10.863 -8.865 146 HE2 LYS 20 2HE LYS 20 -12.621 -7.944 -9.669 147 HE3 LYS 20 3HE LYS 20 -11.992 -9.160 -10.763 148 HZ1 LYS 20 1HZ LYS 20 -14.613 -8.664 -10.434 149 HZ2 LYS 20 2HZ LYS 20 -14.040 -10.082 -10.992 150 H ALA 21 HN ALA 21 -14.083 -10.031 -5.253 151 HA ALA 21 HA ALA 21 -16.285 -8.256 -5.026 152 HB1 ALA 21 1HB ALA 21 -16.640 -11.123 -4.339 153 HB2 ALA 21 2HB ALA 21 -17.494 -10.117 -5.534 154 HB3 ALA 21 3HB ALA 21 -15.901 -10.808 -5.928 155 H ALA 22 HN ALA 22 -17.088 -7.314 -3.219 156 HA ALA 22 HA ALA 22 -15.921 -7.879 -0.698 157 HB1 ALA 22 1HB ALA 22 -18.471 -6.316 -1.169 158 HB2 ALA 22 2HB ALA 22 -17.206 -6.049 0.054 159 HB3 ALA 22 3HB ALA 22 -16.887 -5.667 -1.655 160 H GLY 23 HN GLY 23 -16.440 -9.482 0.699 161 HA2 GLY 23 1HA GLY 23 -18.040 -10.602 2.014 162 HA3 GLY 23 2HA GLY 23 -19.220 -10.445 0.729 163 H SER 24 HN SER 24 -16.095 -11.219 -0.511 164 HA SER 24 HA SER 24 -16.712 -14.059 -0.389 165 HB2 SER 24 2HB SER 24 -16.500 -14.369 -2.707 166 HB3 SER 24 3HB SER 24 -17.382 -12.858 -2.611 167 HG SER 24 HG SER 24 -14.789 -13.365 -3.551 168 H PHE 25 HN PHE 25 -14.790 -12.124 0.994 169 HA PHE 25 HA PHE 25 -12.225 -12.720 -0.115 170 HB2 PHE 25 2HB PHE 25 -12.551 -10.633 1.098 171 HB3 PHE 25 3HB PHE 25 -13.393 -11.439 2.407 172 HD1 PHE 25 HD1 PHE 25 -10.035 -11.414 0.773 173 HD2 PHE 25 HD2 PHE 25 -12.245 -11.822 4.372 174 HE1 PHE 25 HE1 PHE 25 -7.892 -11.538 2.074 175 HE2 PHE 25 HE2 PHE 25 -10.102 -11.946 5.674 176 HZ PHE 25 HZ PHE 25 -7.952 -11.802 4.509 177 H ASP 26 HN ASP 26 -10.696 -14.226 0.584 178 HA ASP 26 HA ASP 26 -11.554 -15.924 2.784 179 HB2 ASP 26 2HB ASP 26 -10.771 -16.682 -0.026 180 HB3 ASP 26 3HB ASP 26 -10.246 -17.742 1.267 181 HD2 ASP 26 HD2 ASP 26 -14.192 -17.241 0.857 182 H HIS 27 HN HIS 27 -9.954 -14.623 4.033 183 HA HIS 27 HA HIS 27 -7.449 -13.976 3.400 184 HB2 HIS 27 2HB HIS 27 -6.925 -14.014 5.740 185 HB3 HIS 27 3HB HIS 27 -8.587 -13.496 5.539 186 HD1 HIS 27 HD1 HIS 27 -10.408 -15.637 5.812 187 HD2 HIS 27 HD2 HIS 27 -6.641 -15.962 7.630 188 HE1 HIS 27 HE1 HIS 27 -10.633 -17.436 7.607 189 H LYS 28 HN LYS 28 -8.422 -17.199 4.771 190 HA LYS 28 HA LYS 28 -5.976 -18.392 4.772 191 HB2 LYS 28 2HB LYS 28 -8.764 -19.444 4.330 192 HB3 LYS 28 3HB LYS 28 -7.385 -20.525 4.281 193 HG2 LYS 28 2HG LYS 28 -7.621 -18.599 6.599 194 HG3 LYS 28 3HG LYS 28 -8.660 -20.010 6.579 195 HD2 LYS 28 2HD LYS 28 -6.558 -21.432 6.199 196 HD3 LYS 28 3HD LYS 28 -5.610 -19.986 6.485 197 HE2 LYS 28 2HE LYS 28 -6.334 -19.808 8.758 198 HE3 LYS 28 3HE LYS 28 -7.706 -20.867 8.501 199 HZ1 LYS 28 1HZ LYS 28 -4.857 -21.633 8.679 200 HZ2 LYS 28 2HZ LYS 28 -6.107 -22.209 9.550 201 H LYS 29 HN LYS 29 -8.276 -18.034 2.008 202 HA LYS 29 HA LYS 29 -6.737 -19.506 0.196 203 HB2 LYS 29 2HB LYS 29 -8.820 -17.340 -0.185 204 HB3 LYS 29 3HB LYS 29 -8.108 -18.236 -1.511 205 HG2 LYS 29 2HG LYS 29 -9.303 -19.732 0.841 206 HG3 LYS 29 3HG LYS 29 -10.356 -19.091 -0.404 207 HD2 LYS 29 2HD LYS 29 -9.493 -20.508 -2.070 208 HD3 LYS 29 3HD LYS 29 -7.943 -20.685 -1.271 209 HE2 LYS 29 2HE LYS 29 -9.261 -22.779 -1.106 210 HE3 LYS 29 3HE LYS 29 -8.970 -22.103 0.484 211 HZ1 LYS 29 1HZ LYS 29 -11.477 -21.684 -1.056 212 HZ2 LYS 29 2HZ LYS 29 -11.311 -22.768 0.149 213 H PHE 30 HN PHE 30 -6.897 -15.955 0.905 214 HA PHE 30 HA PHE 30 -5.186 -15.038 -0.979 215 HB2 PHE 30 2HB PHE 30 -6.502 -13.879 0.966 216 HB3 PHE 30 3HB PHE 30 -5.150 -14.291 2.002 217 HD1 PHE 30 HD1 PHE 30 -2.774 -13.577 0.884 218 HD2 PHE 30 HD2 PHE 30 -6.524 -11.732 0.150 219 HE1 PHE 30 HE1 PHE 30 -1.601 -11.467 0.194 220 HE2 PHE 30 HE2 PHE 30 -5.352 -9.623 -0.540 221 HZ PHE 30 HZ PHE 30 -2.904 -9.515 -0.510 222 H PHE 31 HN PHE 31 -4.171 -15.941 2.401 223 HA PHE 31 HA PHE 31 -1.456 -15.756 1.893 224 HB2 PHE 31 2HB PHE 31 -3.206 -17.402 3.805 225 HB3 PHE 31 3HB PHE 31 -1.459 -17.405 3.946 226 HD1 PHE 31 HD1 PHE 31 -0.373 -14.981 4.065 227 HD2 PHE 31 HD2 PHE 31 -4.395 -15.883 5.070 228 HE1 PHE 31 HE1 PHE 31 -0.483 -12.911 5.481 229 HE2 PHE 31 HE2 PHE 31 -4.505 -13.813 6.487 230 HZ PHE 31 HZ PHE 31 -2.548 -12.352 6.675 231 H LYS 32 HN LYS 32 -3.725 -18.553 1.627 232 HA LYS 32 HA LYS 32 -1.703 -20.437 1.079 233 HB2 LYS 32 2HB LYS 32 -3.920 -21.031 1.950 234 HB3 LYS 32 3HB LYS 32 -4.674 -20.480 0.468 235 HG2 LYS 32 2HG LYS 32 -2.452 -22.515 0.260 236 HG3 LYS 32 3HG LYS 32 -4.017 -23.059 0.833 237 HD2 LYS 32 2HD LYS 32 -5.106 -22.514 -1.198 238 HD3 LYS 32 3HD LYS 32 -3.877 -21.356 -1.667 239 HE2 LYS 32 2HE LYS 32 -3.548 -24.393 -1.590 240 HE3 LYS 32 3HE LYS 32 -3.681 -23.406 -3.032 241 HZ1 LYS 32 1HZ LYS 32 -1.388 -23.781 -1.308 242 HZ2 LYS 32 2HZ LYS 32 -1.430 -23.388 -2.888 243 H ALA 33 HN ALA 33 -3.063 -17.832 -0.744 244 HA ALA 33 HA ALA 33 -2.650 -19.048 -3.311 245 HB1 ALA 33 1HB ALA 33 -2.815 -16.199 -3.465 246 HB2 ALA 33 2HB ALA 33 -4.073 -17.398 -3.851 247 HB3 ALA 33 3HB ALA 33 -3.951 -16.735 -2.204 248 H CYS 34 HN CYS 34 -1.147 -16.222 -1.573 249 HA CYS 34 HA CYS 34 1.015 -16.090 -3.341 250 HB2 CYS 34 2HB CYS 34 2.045 -14.657 -1.523 251 HB3 CYS 34 3HB CYS 34 0.488 -14.128 -2.127 252 HG CYS 34 HG CYS 34 -0.701 -14.164 -0.082 253 H GLY 35 HN GLY 35 0.149 -18.294 -0.824 254 HA2 GLY 35 1HA GLY 35 1.287 -20.266 -0.396 255 HA3 GLY 35 2HA GLY 35 2.775 -19.563 -0.997 256 H LEU 36 HN LEU 36 1.548 -17.106 0.840 257 HA LEU 36 HA LEU 36 3.409 -17.090 2.765 258 HB2 LEU 36 2HB LEU 36 0.668 -16.001 2.512 259 HB3 LEU 36 3HB LEU 36 1.350 -16.001 4.126 260 HG LEU 36 HG LEU 36 2.733 -14.782 1.723 261 HD11 LEU 36 1HD1 LEU 36 1.738 -12.770 2.067 262 HD12 LEU 36 2HD1 LEU 36 0.410 -13.819 2.617 263 HD13 LEU 36 3HD1 LEU 36 1.492 -13.056 3.806 264 HD21 LEU 36 1HD2 LEU 36 3.519 -13.605 4.185 265 HD22 LEU 36 2HD2 LEU 36 3.607 -15.372 4.379 266 HD23 LEU 36 3HD2 LEU 36 4.491 -14.578 3.055 267 H SER 37 HN SER 37 0.554 -19.180 2.591 268 HA SER 37 HA SER 37 0.555 -19.920 5.279 269 HB2 SER 37 2HB SER 37 -1.424 -20.412 4.095 270 HB3 SER 37 3HB SER 37 -0.564 -21.093 2.729 271 HG SER 37 HG SER 37 -1.663 -22.445 4.719 272 H GLY 38 HN GLY 38 1.613 -21.833 2.359 273 HA2 GLY 38 1HA GLY 38 3.031 -23.750 3.894 274 HA3 GLY 38 2HA GLY 38 3.095 -23.517 2.158 275 H LYS 39 HN LYS 39 3.717 -20.469 3.201 276 HA LYS 39 HA LYS 39 6.451 -20.620 2.605 277 HB2 LYS 39 2HB LYS 39 4.558 -18.512 3.569 278 HB3 LYS 39 3HB LYS 39 6.277 -18.204 3.709 279 HG2 LYS 39 2HG LYS 39 4.791 -18.961 1.149 280 HG3 LYS 39 3HG LYS 39 5.427 -17.376 1.540 281 HD2 LYS 39 2HD LYS 39 7.709 -18.822 1.853 282 HD3 LYS 39 3HD LYS 39 6.894 -19.860 0.700 283 HE2 LYS 39 2HE LYS 39 6.447 -17.576 -0.602 284 HE3 LYS 39 3HE LYS 39 7.792 -16.989 0.357 285 HZ1 LYS 39 1HZ LYS 39 8.131 -19.552 -1.031 286 HZ2 LYS 39 2HZ LYS 39 8.207 -18.193 -1.925 287 H SER 40 HN SER 40 7.967 -19.282 4.368 288 HA SER 40 HA SER 40 8.028 -21.154 6.558 289 HB2 SER 40 2HB SER 40 10.049 -18.983 5.853 290 HB3 SER 40 3HB SER 40 10.305 -20.342 6.930 291 HG SER 40 HG SER 40 9.878 -20.436 4.069 292 H THR 41 HN THR 41 8.017 -20.510 8.793 293 HA THR 41 HA THR 41 6.373 -18.298 9.375 294 HB THR 41 HB THR 41 8.138 -20.140 11.068 295 HG1 THR 41 HG1 THR 41 6.139 -21.251 11.165 296 HG21 THR 41 1HG2 THR 41 6.578 -17.755 11.813 297 HG22 THR 41 2HG2 THR 41 5.918 -19.230 12.561 298 HG23 THR 41 3HG2 THR 41 7.618 -18.777 12.835 299 H ASP 42 HN ASP 42 9.686 -18.450 8.546 300 HA ASP 42 HA ASP 42 10.606 -16.430 10.252 301 HB2 ASP 42 2HB ASP 42 12.232 -17.850 9.205 302 HB3 ASP 42 3HB ASP 42 11.551 -17.596 7.611 303 HD2 ASP 42 HD2 ASP 42 13.606 -15.046 9.707 304 H GLU 43 HN GLU 43 9.685 -16.525 6.722 305 HA GLU 43 HA GLU 43 9.958 -13.803 6.315 306 HB2 GLU 43 2HB GLU 43 9.098 -14.214 4.180 307 HB3 GLU 43 3HB GLU 43 9.688 -15.801 4.632 308 HG2 GLU 43 2HG GLU 43 7.393 -16.443 5.391 309 HG3 GLU 43 3HG GLU 43 6.800 -14.854 4.951 310 HE2 GLU 43 HE2 GLU 43 8.539 -17.498 3.560 311 H VAL 44 HN VAL 44 7.262 -15.795 7.553 312 HA VAL 44 HA VAL 44 5.163 -14.066 7.253 313 HB VAL 44 HB VAL 44 5.838 -15.942 9.527 314 HG11 VAL 44 1HG1 VAL 44 3.234 -14.564 8.808 315 HG12 VAL 44 2HG1 VAL 44 3.340 -15.982 9.880 316 HG13 VAL 44 3HG1 VAL 44 4.142 -14.459 10.335 317 HG21 VAL 44 1HG2 VAL 44 5.661 -16.791 7.087 318 HG22 VAL 44 2HG2 VAL 44 4.728 -17.631 8.348 319 HG23 VAL 44 3HG2 VAL 44 3.918 -16.477 7.261 320 H LYS 45 HN LYS 45 7.894 -13.970 9.556 321 HA LYS 45 HA LYS 45 6.753 -11.982 11.212 322 HB2 LYS 45 2HB LYS 45 9.600 -12.939 10.816 323 HB3 LYS 45 3HB LYS 45 9.131 -11.759 12.023 324 HG2 LYS 45 2HG LYS 45 7.774 -13.328 13.212 325 HG3 LYS 45 3HG LYS 45 7.696 -14.431 11.853 326 HD2 LYS 45 2HD LYS 45 10.226 -14.761 12.094 327 HD3 LYS 45 3HD LYS 45 10.142 -13.833 13.578 328 HE2 LYS 45 2HE LYS 45 9.991 -16.432 13.754 329 HE3 LYS 45 3HE LYS 45 8.864 -15.481 14.701 330 HZ1 LYS 45 1HZ LYS 45 8.324 -16.995 12.233 331 HZ2 LYS 45 2HZ LYS 45 7.488 -17.003 13.630 332 H LYS 46 HN LYS 46 8.550 -11.992 8.149 333 HA LYS 46 HA LYS 46 8.995 -9.139 8.303 334 HB2 LYS 46 2HB LYS 46 9.501 -10.743 5.828 335 HB3 LYS 46 3HB LYS 46 10.406 -9.402 6.500 336 HG2 LYS 46 2HG LYS 46 10.335 -12.271 7.532 337 HG3 LYS 46 3HG LYS 46 11.706 -11.436 6.831 338 HD2 LYS 46 2HD LYS 46 10.374 -10.292 9.301 339 HD3 LYS 46 3HD LYS 46 11.480 -11.641 9.468 340 HE2 LYS 46 2HE LYS 46 12.771 -9.603 9.745 341 HE3 LYS 46 3HE LYS 46 13.228 -10.308 8.207 342 HZ1 LYS 46 1HZ LYS 46 12.435 -7.767 8.477 343 HZ2 LYS 46 2HZ LYS 46 12.287 -8.587 7.078 344 H ALA 47 HN ALA 47 6.560 -11.391 7.241 345 HA ALA 47 HA ALA 47 5.448 -9.578 5.292 346 HB1 ALA 47 1HB ALA 47 3.566 -11.531 5.739 347 HB2 ALA 47 2HB ALA 47 4.907 -11.664 4.576 348 HB3 ALA 47 3HB ALA 47 5.066 -12.370 6.202 349 H PHE 48 HN PHE 48 5.121 -10.401 8.727 350 HA PHE 48 HA PHE 48 2.555 -9.281 9.066 351 HB2 PHE 48 2HB PHE 48 3.415 -10.810 10.732 352 HB3 PHE 48 3HB PHE 48 4.979 -10.022 10.768 353 HD1 PHE 48 HD1 PHE 48 1.567 -9.969 12.048 354 HD2 PHE 48 HD2 PHE 48 5.308 -7.967 12.057 355 HE1 PHE 48 HE1 PHE 48 0.860 -8.659 14.068 356 HE2 PHE 48 HE2 PHE 48 4.602 -6.656 14.078 357 HZ PHE 48 HZ PHE 48 2.386 -7.018 15.059 358 H ALA 49 HN ALA 49 5.899 -7.991 9.173 359 HA ALA 49 HA ALA 49 5.201 -5.534 10.376 360 HB1 ALA 49 1HB ALA 49 7.553 -6.651 8.853 361 HB2 ALA 49 2HB ALA 49 7.479 -4.909 9.213 362 HB3 ALA 49 3HB ALA 49 7.460 -6.094 10.541 363 H ILE 50 HN ILE 50 4.556 -6.899 7.283 364 HA ILE 50 HA ILE 50 4.714 -4.531 5.744 365 HB ILE 50 HB ILE 50 3.099 -7.036 5.261 366 HG12 ILE 50 2HG1 ILE 50 5.421 -7.621 5.693 367 HG13 ILE 50 3HG1 ILE 50 5.028 -7.855 4.002 368 HG21 ILE 50 1HG2 ILE 50 4.018 -5.990 2.844 369 HG22 ILE 50 2HG2 ILE 50 2.355 -5.939 3.476 370 HG23 ILE 50 3HG2 ILE 50 3.461 -4.574 3.767 371 HD11 ILE 50 1HD1 ILE 50 6.019 -5.580 3.503 372 HD12 ILE 50 2HD1 ILE 50 6.532 -5.488 5.205 373 HD13 ILE 50 3HD1 ILE 50 7.196 -6.751 4.142 374 H ILE 51 HN ILE 51 1.841 -6.377 7.004 375 HA ILE 51 HA ILE 51 -0.074 -4.563 6.368 376 HB ILE 51 HB ILE 51 0.002 -6.155 8.929 377 HG12 ILE 51 2HG1 ILE 51 -1.340 -7.635 6.962 378 HG13 ILE 51 3HG1 ILE 51 0.119 -7.070 6.171 379 HG21 ILE 51 1HG2 ILE 51 -2.510 -6.051 7.479 380 HG22 ILE 51 2HG2 ILE 51 -2.147 -5.643 9.173 381 HG23 ILE 51 3HG2 ILE 51 -1.924 -4.423 7.896 382 HD11 ILE 51 1HD1 ILE 51 1.178 -7.818 8.574 383 HD12 ILE 51 2HD1 ILE 51 -0.190 -8.952 8.469 384 HD13 ILE 51 3HD1 ILE 51 1.039 -8.919 7.182 385 H ASP 52 HN ASP 52 1.690 -4.714 9.546 386 HA ASP 52 HA ASP 52 0.662 -2.633 10.782 387 HB2 ASP 52 2HB ASP 52 3.648 -3.212 10.496 388 HB3 ASP 52 3HB ASP 52 2.957 -2.205 11.753 389 HD2 ASP 52 HD2 ASP 52 3.987 -5.530 12.191 390 H GLN 53 HN GLN 53 0.050 -0.693 9.761 391 HA GLN 53 HA GLN 53 1.853 0.449 7.834 392 HB2 GLN 53 2HB GLN 53 -0.869 1.451 8.777 393 HB3 GLN 53 3HB GLN 53 0.011 2.020 7.372 394 HG2 GLN 53 2HG GLN 53 -0.039 -0.446 6.543 395 HG3 GLN 53 3HG GLN 53 -1.225 -0.729 7.802 396 HE21 GLN 53 1HE2 GLN 53 -3.237 -0.586 7.201 397 HE22 GLN 53 2HE2 GLN 53 -3.895 0.400 5.938 398 H ASP 54 HN ASP 54 1.073 0.697 11.122 399 HA ASP 54 HA ASP 54 2.477 3.340 11.359 400 HB2 ASP 54 2HB ASP 54 1.108 3.668 13.347 401 HB3 ASP 54 3HB ASP 54 0.049 3.201 12.018 402 H LYS 55 HN LYS 55 2.674 -0.098 12.023 403 HA LYS 55 HA LYS 55 4.052 -1.317 13.244 404 HB2 LYS 55 2HB LYS 55 5.977 0.954 13.576 405 HB3 LYS 55 3HB LYS 55 6.287 -0.736 13.231 406 HG2 LYS 55 2HG LYS 55 5.028 1.260 11.289 407 HG3 LYS 55 3HG LYS 55 6.690 0.707 11.235 408 HD2 LYS 55 2HD LYS 55 5.736 -1.695 11.055 409 HD3 LYS 55 3HD LYS 55 4.174 -0.951 10.780 410 HE2 LYS 55 2HE LYS 55 6.672 -0.413 9.100 411 HE3 LYS 55 3HE LYS 55 5.384 -1.512 8.645 412 HZ1 LYS 55 1HZ LYS 55 5.011 1.397 9.132 413 HZ2 LYS 55 2HZ LYS 55 5.078 0.701 7.661 414 H SER 56 HN SER 56 1.992 -0.690 14.732 415 HA SER 56 HA SER 56 2.772 0.821 17.018 416 HB2 SER 56 2HB SER 56 0.471 -0.184 17.849 417 HB3 SER 56 3HB SER 56 0.492 1.063 16.618 418 HG SER 56 HG SER 56 -0.776 -0.427 15.650 419 H GLY 57 HN GLY 57 2.811 -2.529 15.935 420 HA2 GLY 57 1HA GLY 57 4.452 -3.843 17.283 421 HA3 GLY 57 2HA GLY 57 3.480 -3.417 18.677 422 H PHE 58 HN PHE 58 0.873 -3.559 17.242 423 HA PHE 58 HA PHE 58 0.788 -6.436 16.682 424 HB2 PHE 58 2HB PHE 58 -0.889 -4.631 18.503 425 HB3 PHE 58 3HB PHE 58 -1.562 -6.130 17.894 426 HD1 PHE 58 HD1 PHE 58 1.467 -4.876 19.679 427 HD2 PHE 58 HD2 PHE 58 -1.298 -8.051 19.150 428 HE1 PHE 58 HE1 PHE 58 2.543 -6.128 21.570 429 HE2 PHE 58 HE2 PHE 58 -0.222 -9.304 21.040 430 HZ PHE 58 HZ PHE 58 1.686 -8.327 22.228 431 H ILE 59 HN ILE 59 -1.660 -6.916 15.849 432 HA ILE 59 HA ILE 59 -2.199 -4.839 13.840 433 HB ILE 59 HB ILE 59 -1.996 -7.809 13.644 434 HG12 ILE 59 2HG1 ILE 59 -1.212 -5.571 11.755 435 HG13 ILE 59 3HG1 ILE 59 -0.147 -6.290 12.946 436 HG21 ILE 59 1HG2 ILE 59 -4.036 -7.910 12.703 437 HG22 ILE 59 2HG2 ILE 59 -4.103 -6.158 12.395 438 HG23 ILE 59 3HG2 ILE 59 -3.203 -7.223 11.288 439 HD11 ILE 59 1HD1 ILE 59 -1.060 -8.557 11.709 440 HD12 ILE 59 2HD1 ILE 59 -1.125 -7.400 10.358 441 HD13 ILE 59 3HD1 ILE 59 0.410 -7.687 11.212 442 H GLU 60 HN GLU 60 -3.650 -3.816 15.394 443 HA GLU 60 HA GLU 60 -5.611 -4.998 16.783 444 HB2 GLU 60 2HB GLU 60 -5.663 -2.351 15.276 445 HB3 GLU 60 3HB GLU 60 -6.905 -2.816 16.421 446 HG2 GLU 60 2HG GLU 60 -5.502 -1.702 17.885 447 HG3 GLU 60 3HG GLU 60 -4.775 -3.292 18.000 448 HE2 GLU 60 HE2 GLU 60 -1.805 -1.929 17.163 449 H GLU 61 HN GLU 61 -8.124 -4.751 16.275 450 HA GLU 61 HA GLU 61 -8.613 -6.505 14.156 451 HB2 GLU 61 2HB GLU 61 -9.997 -6.439 16.200 452 HB3 GLU 61 3HB GLU 61 -10.526 -4.811 15.823 453 HG2 GLU 61 2HG GLU 61 -11.477 -5.719 13.629 454 HG3 GLU 61 3HG GLU 61 -11.100 -7.333 14.200 455 HE2 GLU 61 HE2 GLU 61 -14.365 -6.275 14.507 456 H GLU 62 HN GLU 62 -8.920 -2.952 14.578 457 HA GLU 62 HA GLU 62 -10.366 -2.506 12.248 458 HB2 GLU 62 2HB GLU 62 -8.401 -0.625 13.629 459 HB3 GLU 62 3HB GLU 62 -9.681 -0.152 12.529 460 HG2 GLU 62 2HG GLU 62 -11.195 -1.534 14.291 461 HG3 GLU 62 3HG GLU 62 -9.879 -1.122 15.373 462 HE2 GLU 62 HE2 GLU 62 -10.860 2.031 15.816 463 H GLU 63 HN GLU 63 -7.068 -3.445 12.785 464 HA GLU 63 HA GLU 63 -6.188 -2.328 10.284 465 HB2 GLU 63 2HB GLU 63 -4.856 -3.786 12.573 466 HB3 GLU 63 3HB GLU 63 -4.040 -3.700 11.025 467 HG2 GLU 63 2HG GLU 63 -4.466 -1.146 11.102 468 HG3 GLU 63 3HG GLU 63 -4.935 -1.372 12.775 469 H LEU 64 HN LEU 64 -7.342 -5.368 11.679 470 HA LEU 64 HA LEU 64 -6.289 -7.181 9.889 471 HB2 LEU 64 2HB LEU 64 -8.740 -7.056 11.592 472 HB3 LEU 64 3HB LEU 64 -8.596 -8.347 10.416 473 HG LEU 64 HG LEU 64 -6.537 -7.761 12.561 474 HD11 LEU 64 1HD1 LEU 64 -8.331 -8.460 13.832 475 HD12 LEU 64 2HD1 LEU 64 -8.964 -9.527 12.556 476 HD13 LEU 64 3HD1 LEU 64 -7.515 -10.001 13.474 477 HD21 LEU 64 1HD2 LEU 64 -6.195 -9.153 10.227 478 HD22 LEU 64 2HD2 LEU 64 -5.261 -9.398 11.723 479 HD23 LEU 64 3HD2 LEU 64 -6.658 -10.442 11.364 480 H LYS 65 HN LYS 65 -9.534 -5.543 9.714 481 HA LYS 65 HA LYS 65 -10.224 -6.476 7.229 482 HB2 LYS 65 2HB LYS 65 -11.904 -4.836 7.239 483 HB3 LYS 65 3HB LYS 65 -11.621 -5.200 8.930 484 HG2 LYS 65 2HG LYS 65 -9.856 -3.192 8.733 485 HG3 LYS 65 3HG LYS 65 -10.850 -2.733 7.365 486 HD2 LYS 65 2HD LYS 65 -12.045 -3.331 10.104 487 HD3 LYS 65 3HD LYS 65 -11.490 -1.729 9.661 488 HE2 LYS 65 2HE LYS 65 -13.016 -1.966 7.560 489 HE3 LYS 65 3HE LYS 65 -13.729 -3.344 8.376 490 HZ1 LYS 65 1HZ LYS 65 -14.205 -0.603 8.871 491 HZ2 LYS 65 2HZ LYS 65 -14.972 -1.885 9.519 492 H LEU 66 HN LEU 66 -7.729 -4.204 8.137 493 HA LEU 66 HA LEU 66 -7.573 -3.163 5.425 494 HB2 LEU 66 2HB LEU 66 -5.850 -2.481 7.804 495 HB3 LEU 66 3HB LEU 66 -5.996 -1.597 6.298 496 HG LEU 66 HG LEU 66 -8.302 -1.964 8.224 497 HD11 LEU 66 1HD1 LEU 66 -6.121 -0.690 9.025 498 HD12 LEU 66 2HD1 LEU 66 -6.826 0.626 8.055 499 HD13 LEU 66 3HD1 LEU 66 -7.753 -0.085 9.397 500 HD21 LEU 66 1HD2 LEU 66 -9.553 -0.774 6.807 501 HD22 LEU 66 2HD2 LEU 66 -8.249 0.394 6.487 502 HD23 LEU 66 3HD2 LEU 66 -8.304 -1.146 5.595 503 H PHE 67 HN PHE 67 -7.116 -6.049 6.070 504 HA PHE 67 HA PHE 67 -4.333 -6.510 6.058 505 HB2 PHE 67 2HB PHE 67 -5.860 -8.249 6.798 506 HB3 PHE 67 3HB PHE 67 -6.902 -8.034 5.406 507 HD1 PHE 67 HD1 PHE 67 -3.425 -9.093 6.251 508 HD2 PHE 67 HD2 PHE 67 -6.753 -9.541 3.657 509 HE1 PHE 67 HE1 PHE 67 -2.264 -10.991 5.089 510 HE2 PHE 67 HE2 PHE 67 -5.592 -11.439 2.495 511 HZ PHE 67 HZ PHE 67 -3.361 -12.141 3.225 512 H LEU 68 HN LEU 68 -6.329 -5.135 3.707 513 HA LEU 68 HA LEU 68 -4.842 -6.344 1.501 514 HB2 LEU 68 2HB LEU 68 -7.346 -4.661 1.600 515 HB3 LEU 68 3HB LEU 68 -6.533 -5.104 0.112 516 HG LEU 68 HG LEU 68 -7.820 -6.986 2.107 517 HD11 LEU 68 1HD1 LEU 68 -9.595 -6.182 0.910 518 HD12 LEU 68 2HD1 LEU 68 -8.621 -5.865 -0.546 519 HD13 LEU 68 3HD1 LEU 68 -9.098 -7.531 -0.140 520 HD21 LEU 68 1HD2 LEU 68 -5.746 -7.483 0.125 521 HD22 LEU 68 2HD2 LEU 68 -6.391 -8.540 1.403 522 HD23 LEU 68 3HD2 LEU 68 -7.211 -8.449 -0.174 523 H GLN 69 HN GLN 69 -4.933 -3.594 3.597 524 HA GLN 69 HA GLN 69 -3.781 -1.828 1.670 525 HB2 GLN 69 2HB GLN 69 -4.474 -1.643 4.612 526 HB3 GLN 69 3HB GLN 69 -3.461 -0.417 3.878 527 HG2 GLN 69 2HG GLN 69 -5.189 0.142 2.242 528 HG3 GLN 69 3HG GLN 69 -6.167 -1.230 2.725 529 HE21 GLN 69 1HE2 GLN 69 -7.927 0.008 3.249 530 HE22 GLN 69 2HE2 GLN 69 -8.013 1.023 4.650 531 H ASN 70 HN ASN 70 -2.606 -4.519 3.146 532 HA ASN 70 HA ASN 70 -0.155 -3.452 4.120 533 HB2 ASN 70 2HB ASN 70 -0.522 -6.376 3.415 534 HB3 ASN 70 3HB ASN 70 0.332 -5.678 4.777 535 HD21 ASN 70 1HD2 ASN 70 -1.743 -3.779 5.446 536 HD22 ASN 70 2HD2 ASN 70 -3.040 -4.649 6.195 537 H PHE 71 HN PHE 71 -1.314 -5.457 1.315 538 HA PHE 71 HA PHE 71 1.280 -5.379 0.079 539 HB2 PHE 71 2HB PHE 71 -1.508 -6.271 -0.875 540 HB3 PHE 71 3HB PHE 71 -0.007 -6.670 -1.688 541 HD1 PHE 71 HD1 PHE 71 -2.016 -7.274 1.340 542 HD2 PHE 71 HD2 PHE 71 1.382 -8.451 -0.912 543 HE1 PHE 71 HE1 PHE 71 -1.813 -9.352 2.733 544 HE2 PHE 71 HE2 PHE 71 1.585 -10.529 0.481 545 HZ PHE 71 HZ PHE 71 -0.015 -10.955 2.287 546 H LYS 72 HN LYS 72 -0.729 -2.929 0.567 547 HA LYS 72 HA LYS 72 0.161 -1.427 -1.590 548 HB2 LYS 72 2HB LYS 72 -1.642 -3.082 -2.626 549 HB3 LYS 72 3HB LYS 72 -2.769 -1.905 -1.982 550 HG2 LYS 72 2HG LYS 72 -1.949 -0.160 -3.346 551 HG3 LYS 72 3HG LYS 72 -0.385 -0.919 -3.561 552 HD2 LYS 72 2HD LYS 72 -1.299 -2.587 -5.072 553 HD3 LYS 72 3HD LYS 72 -2.946 -2.136 -4.680 554 HE2 LYS 72 2HE LYS 72 -0.908 -0.578 -6.307 555 HE3 LYS 72 3HE LYS 72 -2.516 -1.087 -6.783 556 HZ1 LYS 72 1HZ LYS 72 -2.727 1.182 -6.250 557 HZ2 LYS 72 2HZ LYS 72 -3.308 0.455 -4.914 558 H ALA 73 HN ALA 73 -0.364 0.794 -1.308 559 HA ALA 73 HA ALA 73 -1.581 1.305 1.298 560 HB1 ALA 73 1HB ALA 73 0.712 2.275 -0.095 561 HB2 ALA 73 2HB ALA 73 -0.431 3.632 0.049 562 HB3 ALA 73 3HB ALA 73 0.110 2.767 1.507 563 H GLY 74 HN GLY 74 -3.751 0.787 0.296 564 HA2 GLY 74 1HA GLY 74 -5.314 2.971 -0.067 565 HA3 GLY 74 2HA GLY 74 -4.759 2.616 -1.691 566 H ALA 75 HN ALA 75 -4.499 -0.360 -1.011 567 HA ALA 75 HA ALA 75 -6.731 -1.337 -2.110 568 HB1 ALA 75 1HB ALA 75 -5.700 -3.287 -1.656 569 HB2 ALA 75 2HB ALA 75 -4.487 -2.342 -0.760 570 HB3 ALA 75 3HB ALA 75 -5.878 -3.046 0.098 571 H ARG 76 HN ARG 76 -8.805 -2.052 -1.465 572 HA ARG 76 HA ARG 76 -10.052 -0.484 0.392 573 HB2 ARG 76 2HB ARG 76 -11.988 -2.003 0.096 574 HB3 ARG 76 3HB ARG 76 -11.214 -1.703 -1.448 575 HG2 ARG 76 2HG ARG 76 -10.359 -3.869 -1.609 576 HG3 ARG 76 3HG ARG 76 -10.233 -4.070 0.127 577 HD2 ARG 76 2HD ARG 76 -12.831 -4.063 0.165 578 HD3 ARG 76 3HD ARG 76 -12.755 -4.226 -1.578 579 HE ARG 76 HE ARG 76 -11.085 -6.242 -0.762 580 HH11 ARG 76 HH1 ARG 76 -13.225 -8.738 0.358 581 HH21 ARG 76 1HH2 ARG 76 -14.820 -6.971 0.633 582 HH22 ARG 76 2HH2 ARG 76 -14.368 -5.349 0.228 583 H ALA 77 HN ALA 77 -11.649 -2.011 2.086 584 HA ALA 77 HA ALA 77 -9.741 -3.549 3.701 585 HB1 ALA 77 1HB ALA 77 -10.444 -1.000 4.341 586 HB2 ALA 77 2HB ALA 77 -11.764 -1.896 5.130 587 HB3 ALA 77 3HB ALA 77 -10.071 -2.251 5.551 588 H LEU 78 HN LEU 78 -10.510 -5.544 4.198 589 HA LEU 78 HA LEU 78 -12.725 -6.641 3.171 590 HB2 LEU 78 2HB LEU 78 -11.419 -7.246 5.825 591 HB3 LEU 78 3HB LEU 78 -12.597 -8.284 5.048 592 HG LEU 78 HG LEU 78 -10.622 -9.282 4.430 593 HD11 LEU 78 1HD1 LEU 78 -10.193 -8.811 2.063 594 HD12 LEU 78 2HD1 LEU 78 -11.935 -8.829 2.425 595 HD13 LEU 78 3HD1 LEU 78 -11.089 -7.279 2.203 596 HD21 LEU 78 1HD2 LEU 78 -9.147 -6.815 3.628 597 HD22 LEU 78 2HD2 LEU 78 -9.350 -7.150 5.365 598 HD23 LEU 78 3HD2 LEU 78 -8.548 -8.344 4.316 599 H SER 79 HN SER 79 -14.833 -7.320 4.129 600 HA SER 79 HA SER 79 -16.136 -5.041 5.122 601 HB2 SER 79 2HB SER 79 -17.222 -6.689 3.618 602 HB3 SER 79 3HB SER 79 -17.096 -7.924 4.855 603 HG SER 79 HG SER 79 -19.174 -6.459 4.539 604 H ASP 80 HN ASP 80 -17.977 -5.918 7.028 605 HA ASP 80 HA ASP 80 -16.329 -5.942 9.322 606 HB2 ASP 80 2HB ASP 80 -19.346 -6.372 9.163 607 HB3 ASP 80 3HB ASP 80 -18.443 -5.826 10.562 608 HD2 ASP 80 HD2 ASP 80 -17.779 -2.700 9.194 609 H ALA 81 HN ALA 81 -18.264 -8.259 7.415 610 HA ALA 81 HA ALA 81 -18.163 -10.301 9.444 611 HB1 ALA 81 1HB ALA 81 -20.052 -9.901 7.767 612 HB2 ALA 81 2HB ALA 81 -18.963 -10.567 6.526 613 HB3 ALA 81 3HB ALA 81 -19.469 -11.577 7.902 614 H GLU 82 HN GLU 82 -16.483 -9.396 6.401 615 HA GLU 82 HA GLU 82 -15.079 -11.766 6.120 616 HB2 GLU 82 2HB GLU 82 -14.502 -8.916 5.223 617 HB3 GLU 82 3HB GLU 82 -13.460 -10.256 4.786 618 HG2 GLU 82 2HG GLU 82 -15.148 -11.324 3.497 619 HG3 GLU 82 3HG GLU 82 -16.446 -10.460 4.297 620 HE2 GLU 82 HE2 GLU 82 -14.136 -8.128 2.045 621 H THR 83 HN THR 83 -14.281 -8.680 7.832 622 HA THR 83 HA THR 83 -11.707 -9.575 8.650 623 HB THR 83 HB THR 83 -13.549 -7.324 9.616 624 HG1 THR 83 HG1 THR 83 -12.929 -6.824 7.520 625 HG21 THR 83 1HG2 THR 83 -10.508 -7.429 9.766 626 HG22 THR 83 2HG2 THR 83 -11.616 -6.311 10.597 627 HG23 THR 83 3HG2 THR 83 -11.506 -8.009 11.120 628 H LYS 84 HN LYS 84 -14.965 -10.154 9.771 629 HA LYS 84 HA LYS 84 -14.348 -10.635 12.470 630 HB2 LYS 84 2HB LYS 84 -16.623 -11.110 10.627 631 HB3 LYS 84 3HB LYS 84 -16.536 -12.179 12.012 632 HG2 LYS 84 2HG LYS 84 -16.579 -10.338 13.571 633 HG3 LYS 84 3HG LYS 84 -16.247 -9.163 12.314 634 HD2 LYS 84 2HD LYS 84 -18.436 -9.259 11.445 635 HD3 LYS 84 3HD LYS 84 -18.728 -10.871 12.066 636 HE2 LYS 84 2HE LYS 84 -18.798 -9.977 14.395 637 HE3 LYS 84 3HE LYS 84 -18.464 -8.364 13.796 638 HZ1 LYS 84 1HZ LYS 84 -20.682 -8.171 13.569 639 HZ2 LYS 84 2HZ LYS 84 -20.627 -9.219 12.324 640 H ALA 85 HN ALA 85 -14.860 -12.940 9.702 641 HA ALA 85 HA ALA 85 -13.997 -15.173 11.161 642 HB1 ALA 85 1HB ALA 85 -14.248 -14.550 8.199 643 HB2 ALA 85 2HB ALA 85 -13.777 -16.153 8.813 644 HB3 ALA 85 3HB ALA 85 -15.370 -15.475 9.225 645 H PHE 86 HN PHE 86 -12.302 -12.467 9.816 646 HA PHE 86 HA PHE 86 -9.851 -13.903 9.384 647 HB2 PHE 86 2HB PHE 86 -10.956 -11.639 8.361 648 HB3 PHE 86 3HB PHE 86 -10.149 -10.891 9.726 649 HD1 PHE 86 HD1 PHE 86 -7.941 -13.319 9.303 650 HD2 PHE 86 HD2 PHE 86 -9.454 -10.054 7.053 651 HE1 PHE 86 HE1 PHE 86 -5.803 -13.232 7.991 652 HE2 PHE 86 HE2 PHE 86 -7.315 -9.967 5.742 653 HZ PHE 86 HZ PHE 86 -5.516 -11.557 6.226 654 H LEU 87 HN LEU 87 -11.302 -11.733 11.866 655 HA LEU 87 HA LEU 87 -8.983 -11.354 13.364 656 HB2 LEU 87 2HB LEU 87 -10.901 -9.953 13.625 657 HB3 LEU 87 3HB LEU 87 -11.911 -11.308 14.086 658 HG LEU 87 HG LEU 87 -10.562 -11.585 16.157 659 HD11 LEU 87 1HD1 LEU 87 -8.504 -10.472 15.146 660 HD12 LEU 87 2HD1 LEU 87 -9.291 -8.920 15.525 661 HD13 LEU 87 3HD1 LEU 87 -8.900 -10.063 16.833 662 HD21 LEU 87 1HD2 LEU 87 -12.088 -10.323 17.157 663 HD22 LEU 87 2HD2 LEU 87 -11.312 -8.830 16.576 664 HD23 LEU 87 3HD2 LEU 87 -12.518 -9.658 15.562 665 H LYS 88 HN LYS 88 -11.749 -13.616 14.056 666 HA LYS 88 HA LYS 88 -10.431 -15.002 16.054 667 HB2 LYS 88 2HB LYS 88 -12.868 -15.287 14.456 668 HB3 LYS 88 3HB LYS 88 -12.177 -16.833 14.905 669 HG2 LYS 88 2HG LYS 88 -12.088 -14.945 17.153 670 HG3 LYS 88 3HG LYS 88 -13.723 -15.129 16.550 671 HD2 LYS 88 2HD LYS 88 -13.056 -17.740 16.565 672 HD3 LYS 88 3HD LYS 88 -11.902 -17.201 17.769 673 HE2 LYS 88 2HE LYS 88 -14.934 -16.856 17.861 674 HE3 LYS 88 3HE LYS 88 -13.961 -17.870 18.907 675 HZ1 LYS 88 1HZ LYS 88 -13.274 -16.069 20.115 676 HZ2 LYS 88 2HZ LYS 88 -13.245 -15.043 18.851 677 H ALA 89 HN ALA 89 -10.454 -15.448 12.487 678 HA ALA 89 HA ALA 89 -9.350 -17.869 12.178 679 HB1 ALA 89 1HB ALA 89 -7.891 -16.292 10.403 680 HB2 ALA 89 2HB ALA 89 -9.516 -16.962 10.118 681 HB3 ALA 89 3HB ALA 89 -9.333 -15.307 10.748 682 H GLY 90 HN GLY 90 -7.581 -14.836 13.070 683 HA2 GLY 90 1HA GLY 90 -5.162 -16.427 13.551 684 HA3 GLY 90 2HA GLY 90 -5.275 -14.683 13.433 685 H ASP 91 HN ASP 91 -6.868 -13.662 15.192 686 HA ASP 91 HA ASP 91 -5.699 -14.226 17.642 687 HB2 ASP 91 2HB ASP 91 -7.097 -12.137 16.623 688 HB3 ASP 91 3HB ASP 91 -8.396 -12.893 17.525 689 HD2 ASP 91 HD2 ASP 91 -8.216 -10.838 18.545 690 H SER 92 HN SER 92 -6.066 -16.419 18.310 691 HA SER 92 HA SER 92 -8.842 -17.252 18.440 692 HB2 SER 92 2HB SER 92 -7.307 -18.809 17.325 693 HB3 SER 92 3HB SER 92 -6.237 -18.812 18.712 694 HG SER 92 HG SER 92 -8.982 -19.746 18.721 695 H ASP 93 HN ASP 93 -6.885 -15.543 20.247 696 HA ASP 93 HA ASP 93 -7.393 -16.908 22.854 697 HB2 ASP 93 2HB ASP 93 -5.620 -15.525 23.659 698 HB3 ASP 93 3HB ASP 93 -5.111 -16.026 22.049 699 H GLY 94 HN GLY 94 -8.786 -14.481 20.787 700 HA2 GLY 94 1HA GLY 94 -10.438 -12.998 21.139 701 HA3 GLY 94 2HA GLY 94 -10.731 -13.761 22.689 702 H ASP 95 HN ASP 95 -7.893 -11.937 21.321 703 HA ASP 95 HA ASP 95 -7.928 -10.387 23.774 704 HB2 ASP 95 2HB ASP 95 -5.752 -11.205 23.512 705 HB3 ASP 95 3HB ASP 95 -5.838 -11.178 21.762 706 HD2 ASP 95 HD2 ASP 95 -4.918 -8.258 24.164 707 H GLY 96 HN GLY 96 -8.714 -10.334 20.401 708 HA2 GLY 96 1HA GLY 96 -9.815 -8.624 19.316 709 HA3 GLY 96 2HA GLY 96 -9.248 -7.472 20.508 710 H LYS 97 HN LYS 97 -6.399 -8.582 20.304 711 HA LYS 97 HA LYS 97 -5.751 -7.228 17.782 712 HB2 LYS 97 2HB LYS 97 -3.993 -7.540 20.230 713 HB3 LYS 97 3HB LYS 97 -3.660 -6.579 18.804 714 HG2 LYS 97 2HG LYS 97 -5.436 -5.026 19.302 715 HG3 LYS 97 3HG LYS 97 -6.151 -6.101 20.487 716 HD2 LYS 97 2HD LYS 97 -3.322 -5.048 20.853 717 HD3 LYS 97 3HD LYS 97 -4.705 -4.086 21.336 718 HE2 LYS 97 2HE LYS 97 -4.583 -6.960 22.258 719 HE3 LYS 97 3HE LYS 97 -3.529 -5.798 23.039 720 HZ1 LYS 97 1HZ LYS 97 -5.884 -4.484 23.027 721 HZ2 LYS 97 2HZ LYS 97 -6.408 -6.016 23.203 722 H ILE 98 HN ILE 98 -4.055 -8.119 16.447 723 HA ILE 98 HA ILE 98 -3.652 -10.983 16.968 724 HB ILE 98 HB ILE 98 -4.333 -9.467 14.488 725 HG12 ILE 98 2HG1 ILE 98 -5.259 -12.009 15.829 726 HG13 ILE 98 3HG1 ILE 98 -6.169 -10.542 15.525 727 HG21 ILE 98 1HG2 ILE 98 -2.188 -10.534 13.961 728 HG22 ILE 98 2HG2 ILE 98 -2.837 -12.103 14.496 729 HG23 ILE 98 3HG2 ILE 98 -3.537 -11.287 13.077 730 HD11 ILE 98 1HD1 ILE 98 -5.642 -11.037 12.983 731 HD12 ILE 98 2HD1 ILE 98 -5.324 -12.688 13.566 732 HD13 ILE 98 3HD1 ILE 98 -6.928 -11.953 13.805 733 H GLY 99 HN GLY 99 -1.586 -11.616 17.291 734 HA2 GLY 99 1HA GLY 99 0.522 -9.639 16.781 735 HA3 GLY 99 2HA GLY 99 0.609 -11.029 17.844 736 H ILE 100 HN ILE 100 2.699 -11.456 16.690 737 HA ILE 100 HA ILE 100 2.497 -12.260 13.937 738 HB ILE 100 HB ILE 100 4.451 -11.094 15.174 739 HG12 ILE 100 2HG1 ILE 100 4.346 -11.945 12.787 740 HG13 ILE 100 3HG1 ILE 100 5.941 -11.802 13.497 741 HG21 ILE 100 1HG2 ILE 100 4.889 -13.984 15.945 742 HG22 ILE 100 2HG2 ILE 100 6.194 -12.774 15.901 743 HG23 ILE 100 3HG2 ILE 100 4.814 -12.555 17.004 744 HD11 ILE 100 1HD1 ILE 100 4.307 -14.358 13.184 745 HD12 ILE 100 2HD1 ILE 100 5.824 -13.941 12.352 746 HD13 ILE 100 3HD1 ILE 100 5.829 -14.267 14.102 747 H ASP 101 HN ASP 101 2.875 -13.802 17.176 748 HA ASP 101 HA ASP 101 3.252 -16.361 16.274 749 HB2 ASP 101 2HB ASP 101 1.958 -16.880 18.558 750 HB3 ASP 101 3HB ASP 101 3.570 -16.193 18.565 751 HD2 ASP 101 HD2 ASP 101 0.454 -13.830 18.785 752 H GLU 102 HN GLU 102 0.342 -14.321 16.590 753 HA GLU 102 HA GLU 102 -1.406 -16.561 16.171 754 HB2 GLU 102 2HB GLU 102 -1.718 -13.659 16.858 755 HB3 GLU 102 3HB GLU 102 -3.056 -14.411 16.013 756 HG2 GLU 102 2HG GLU 102 -3.580 -15.815 17.782 757 HG3 GLU 102 3HG GLU 102 -1.910 -15.991 18.283 758 H PHE 103 HN PHE 103 -0.325 -13.566 14.449 759 HA PHE 103 HA PHE 103 -1.906 -13.885 12.196 760 HB2 PHE 103 2HB PHE 103 -0.689 -11.819 12.631 761 HB3 PHE 103 3HB PHE 103 0.826 -12.672 12.851 762 HD1 PHE 103 HD1 PHE 103 -1.705 -11.824 10.261 763 HD2 PHE 103 HD2 PHE 103 2.325 -12.877 11.074 764 HE1 PHE 103 HE1 PHE 103 -1.104 -11.376 7.866 765 HE2 PHE 103 HE2 PHE 103 2.925 -12.429 8.678 766 HZ PHE 103 HZ PHE 103 1.203 -11.684 7.103 767 H ALA 104 HN ALA 104 1.130 -15.460 13.188 768 HA ALA 104 HA ALA 104 1.543 -16.550 10.540 769 HB1 ALA 104 1HB ALA 104 3.468 -15.831 11.869 770 HB2 ALA 104 2HB ALA 104 2.992 -16.922 13.193 771 HB3 ALA 104 3HB ALA 104 3.524 -17.594 11.633 772 H ALA 105 HN ALA 105 -0.544 -17.157 13.098 773 HA ALA 105 HA ALA 105 -0.333 -20.036 13.020 774 HB1 ALA 105 1HB ALA 105 -1.160 -18.180 14.897 775 HB2 ALA 105 2HB ALA 105 -2.704 -18.815 14.278 776 HB3 ALA 105 3HB ALA 105 -1.493 -19.927 14.960 777 H MET 106 HN MET 106 -2.781 -17.498 12.136 778 HA MET 106 HA MET 106 -4.617 -19.167 11.033 779 HB2 MET 106 2HB MET 106 -5.247 -17.102 9.654 780 HB3 MET 106 3HB MET 106 -5.059 -16.783 11.367 781 HG2 MET 106 2HG MET 106 -2.519 -16.272 10.657 782 HG3 MET 106 3HG MET 106 -3.240 -16.008 9.082 783 HE1 MET 106 1HE MET 106 -6.313 -14.993 10.759 784 HE2 MET 106 2HE MET 106 -6.055 -13.420 9.966 785 HE3 MET 106 3HE MET 106 -5.702 -14.928 9.088 786 H ILE 107 HN ILE 107 -1.423 -18.379 9.862 787 HA ILE 107 HA ILE 107 -2.103 -19.276 7.169 788 HB ILE 107 HB ILE 107 0.323 -18.598 6.762 789 HG12 ILE 107 2HG1 ILE 107 -0.044 -17.110 9.374 790 HG13 ILE 107 3HG1 ILE 107 0.899 -18.579 9.222 791 HG21 ILE 107 1HG2 ILE 107 -1.756 -16.530 7.526 792 HG22 ILE 107 2HG2 ILE 107 -0.295 -16.213 6.560 793 HG23 ILE 107 3HG2 ILE 107 -1.552 -17.310 5.939 794 HD11 ILE 107 1HD1 ILE 107 1.759 -16.889 7.095 795 HD12 ILE 107 2HD1 ILE 107 1.652 -15.861 8.544 796 HD13 ILE 107 3HD1 ILE 107 2.663 -17.326 8.565 797 H LYS 108 HN LYS 108 -0.053 -20.054 10.030 798 HA LYS 108 HA LYS 108 1.146 -22.307 8.831 799 HB2 LYS 108 2HB LYS 108 2.227 -21.208 10.665 800 HB3 LYS 108 3HB LYS 108 0.830 -21.407 11.704 801 HG2 LYS 108 2HG LYS 108 1.277 -23.640 12.128 802 HG3 LYS 108 3HG LYS 108 1.924 -23.931 10.525 803 HD2 LYS 108 2HD LYS 108 3.910 -22.371 11.316 804 HD3 LYS 108 3HD LYS 108 3.319 -22.716 12.929 805 HE2 LYS 108 2HE LYS 108 4.872 -24.450 12.632 806 HE3 LYS 108 3HE LYS 108 3.383 -25.242 12.154 807 HZ1 LYS 108 1HZ LYS 108 4.209 -25.504 10.096 808 HZ2 LYS 108 2HZ LYS 108 4.524 -23.916 9.921 809 H GLY 109 HN GLY 109 -2.047 -21.664 9.966 810 HA2 GLY 109 1HA GLY 109 -2.690 -24.316 10.842 811 HA3 GLY 109 2HA GLY 109 -3.795 -22.995 10.517 Start of MODEL 10 1 H SER 0 HN SER 0 0.784 -0.364 0.202 2 HA SER 0 HA SER 0 3.114 0.676 -0.727 3 HB2 SER 0 2HB SER 0 2.538 -0.043 1.646 4 HB3 SER 0 3HB SER 0 2.877 -1.696 1.174 5 HG SER 0 HG SER 0 4.967 -1.317 1.400 6 H MET 1 HN MET 1 5.258 -0.837 -0.892 7 HA MET 1 HA MET 1 4.595 -3.022 -2.705 8 HB2 MET 1 2HB MET 1 6.823 -2.231 -3.897 9 HB3 MET 1 3HB MET 1 5.347 -1.341 -4.216 10 HG2 MET 1 2HG MET 1 7.043 0.310 -3.740 11 HG3 MET 1 3HG MET 1 5.999 0.262 -2.333 12 HE1 MET 1 1HE MET 1 9.327 0.512 -3.519 13 HE2 MET 1 2HE MET 1 10.405 -0.494 -2.522 14 HE3 MET 1 3HE MET 1 9.427 -1.241 -3.808 15 H ALA 2 HN ALA 2 5.330 -2.903 0.220 16 HA ALA 2 HA ALA 2 8.020 -3.597 0.553 17 HB1 ALA 2 1HB ALA 2 7.422 -3.776 2.746 18 HB2 ALA 2 2HB ALA 2 5.913 -3.017 2.183 19 HB3 ALA 2 3HB ALA 2 6.000 -4.783 2.385 20 H PHE 3 HN PHE 3 5.026 -5.606 0.145 21 HA PHE 3 HA PHE 3 6.438 -8.044 0.233 22 HB2 PHE 3 2HB PHE 3 3.716 -6.971 -0.594 23 HB3 PHE 3 3HB PHE 3 4.117 -8.601 -1.098 24 HD1 PHE 3 HD1 PHE 3 2.587 -6.736 1.397 25 HD2 PHE 3 HD2 PHE 3 5.125 -10.099 0.894 26 HE1 PHE 3 HE1 PHE 3 1.881 -7.605 3.644 27 HE2 PHE 3 HE2 PHE 3 4.420 -10.968 3.141 28 HZ PHE 3 HZ PHE 3 2.806 -9.710 4.489 29 H ALA 4 HN ALA 4 6.417 -5.572 -2.099 30 HA ALA 4 HA ALA 4 6.256 -7.024 -4.480 31 HB1 ALA 4 1HB ALA 4 7.979 -4.571 -4.034 32 HB2 ALA 4 2HB ALA 4 7.067 -5.041 -5.488 33 HB3 ALA 4 3HB ALA 4 6.201 -4.478 -4.038 34 H SER 5 HN SER 5 8.575 -7.079 -1.927 35 HA SER 5 HA SER 5 10.584 -8.113 -3.762 36 HB2 SER 5 2HB SER 5 10.740 -6.878 -0.998 37 HB3 SER 5 3HB SER 5 12.048 -7.884 -1.587 38 HG SER 5 HG SER 5 12.654 -5.883 -2.276 39 H VAL 6 HN VAL 6 8.637 -8.762 -0.818 40 HA VAL 6 HA VAL 6 9.856 -11.195 -0.143 41 HB VAL 6 HB VAL 6 7.048 -10.182 0.351 42 HG11 VAL 6 1HG1 VAL 6 8.372 -12.677 1.045 43 HG12 VAL 6 2HG1 VAL 6 7.869 -11.780 2.497 44 HG13 VAL 6 3HG1 VAL 6 6.671 -12.194 1.248 45 HG21 VAL 6 1HG2 VAL 6 8.224 -9.736 2.678 46 HG22 VAL 6 2HG2 VAL 6 9.689 -9.661 1.671 47 HG23 VAL 6 3HG2 VAL 6 8.332 -8.554 1.352 48 H LEU 7 HN LEU 7 6.668 -10.587 -1.794 49 HA LEU 7 HA LEU 7 7.056 -13.186 -3.107 50 HB2 LEU 7 2HB LEU 7 4.433 -11.794 -2.583 51 HB3 LEU 7 3HB LEU 7 4.682 -13.423 -3.176 52 HG LEU 7 HG LEU 7 5.788 -12.698 -0.487 53 HD11 LEU 7 1HD1 LEU 7 3.289 -13.737 0.094 54 HD12 LEU 7 2HD1 LEU 7 3.801 -12.042 0.279 55 HD13 LEU 7 3HD1 LEU 7 2.962 -12.561 -1.202 56 HD21 LEU 7 1HD2 LEU 7 5.087 -15.139 -2.002 57 HD22 LEU 7 2HD2 LEU 7 6.367 -14.851 -0.799 58 HD23 LEU 7 3HD2 LEU 7 4.698 -15.167 -0.265 59 H LYS 8 HN LYS 8 5.348 -13.071 -5.199 60 HA LYS 8 HA LYS 8 6.585 -10.999 -6.813 61 HB2 LYS 8 2HB LYS 8 4.846 -13.323 -7.683 62 HB3 LYS 8 3HB LYS 8 5.838 -12.304 -8.706 63 HG2 LYS 8 2HG LYS 8 7.258 -13.620 -6.421 64 HG3 LYS 8 3HG LYS 8 6.681 -14.697 -7.677 65 HD2 LYS 8 2HD LYS 8 8.633 -14.166 -8.742 66 HD3 LYS 8 3HD LYS 8 7.793 -12.702 -9.213 67 HE2 LYS 8 2HE LYS 8 8.988 -12.549 -6.500 68 HE3 LYS 8 3HE LYS 8 10.172 -12.796 -7.768 69 HZ1 LYS 8 1HZ LYS 8 9.893 -10.487 -7.695 70 HZ2 LYS 8 2HZ LYS 8 8.926 -10.885 -8.943 71 H ASP 9 HN ASP 9 5.592 -9.101 -7.202 72 HA ASP 9 HA ASP 9 3.182 -8.440 -6.164 73 HB2 ASP 9 2HB ASP 9 4.732 -6.745 -6.951 74 HB3 ASP 9 3HB ASP 9 4.681 -7.365 -8.589 75 HD2 ASP 9 HD2 ASP 9 3.488 -5.023 -6.659 76 H ALA 10 HN ALA 10 3.972 -10.300 -9.037 77 HA ALA 10 HA ALA 10 1.492 -9.814 -10.393 78 HB1 ALA 10 1HB ALA 10 3.737 -10.370 -11.461 79 HB2 ALA 10 2HB ALA 10 3.518 -12.031 -10.859 80 HB3 ALA 10 3HB ALA 10 2.358 -11.346 -12.022 81 H GLU 11 HN GLU 11 2.875 -12.203 -8.117 82 HA GLU 11 HA GLU 11 0.761 -14.033 -8.462 83 HB2 GLU 11 2HB GLU 11 2.974 -13.697 -6.415 84 HB3 GLU 11 3HB GLU 11 1.736 -14.918 -6.196 85 HG2 GLU 11 2HG GLU 11 3.158 -14.736 -8.862 86 HG3 GLU 11 3HG GLU 11 3.984 -15.486 -7.511 87 HE2 GLU 11 HE2 GLU 11 2.893 -17.916 -9.239 88 H VAL 12 HN VAL 12 1.681 -11.961 -5.607 89 HA VAL 12 HA VAL 12 -0.578 -12.326 -4.138 90 HB VAL 12 HB VAL 12 0.032 -10.377 -2.966 91 HG11 VAL 12 1HG1 VAL 12 1.793 -12.351 -3.378 92 HG12 VAL 12 2HG1 VAL 12 2.743 -11.002 -4.045 93 HG13 VAL 12 3HG1 VAL 12 2.163 -10.935 -2.364 94 HG21 VAL 12 1HG2 VAL 12 1.390 -8.575 -3.839 95 HG22 VAL 12 2HG2 VAL 12 1.626 -9.443 -5.375 96 HG23 VAL 12 3HG2 VAL 12 0.010 -8.843 -4.932 97 H THR 13 HN THR 13 -0.070 -10.225 -6.993 98 HA THR 13 HA THR 13 -2.258 -8.601 -6.858 99 HB THR 13 HB THR 13 -0.605 -9.881 -9.029 100 HG1 THR 13 HG1 THR 13 -0.194 -7.596 -9.264 101 HG21 THR 13 1HG2 THR 13 -3.059 -9.803 -9.867 102 HG22 THR 13 2HG2 THR 13 -2.966 -8.040 -9.639 103 HG23 THR 13 3HG2 THR 13 -1.884 -8.845 -10.801 104 H ALA 14 HN ALA 14 -2.181 -11.939 -8.275 105 HA ALA 14 HA ALA 14 -4.891 -12.004 -8.891 106 HB1 ALA 14 1HB ALA 14 -2.664 -13.655 -9.158 107 HB2 ALA 14 2HB ALA 14 -3.736 -14.578 -8.078 108 HB3 ALA 14 3HB ALA 14 -4.323 -14.045 -9.672 109 H ALA 15 HN ALA 15 -3.137 -12.360 -5.837 110 HA ALA 15 HA ALA 15 -5.308 -13.626 -4.476 111 HB1 ALA 15 1HB ALA 15 -3.887 -13.516 -2.581 112 HB2 ALA 15 2HB ALA 15 -2.781 -13.732 -3.960 113 HB3 ALA 15 3HB ALA 15 -2.990 -12.122 -3.229 114 H LEU 16 HN LEU 16 -4.444 -10.374 -5.435 115 HA LEU 16 HA LEU 16 -6.037 -9.142 -3.373 116 HB2 LEU 16 2HB LEU 16 -4.326 -8.215 -5.639 117 HB3 LEU 16 3HB LEU 16 -5.530 -7.120 -4.989 118 HG LEU 16 HG LEU 16 -3.664 -8.473 -3.077 119 HD11 LEU 16 1HD1 LEU 16 -1.885 -7.771 -4.258 120 HD12 LEU 16 2HD1 LEU 16 -2.840 -6.616 -5.218 121 HD13 LEU 16 3HD1 LEU 16 -2.300 -6.178 -3.580 122 HD21 LEU 16 1HD2 LEU 16 -3.950 -5.766 -2.465 123 HD22 LEU 16 2HD2 LEU 16 -5.550 -6.267 -3.063 124 HD23 LEU 16 3HD2 LEU 16 -4.795 -7.137 -1.707 125 H ASP 17 HN ASP 17 -6.255 -9.925 -6.881 126 HA ASP 17 HA ASP 17 -8.753 -8.644 -7.141 127 HB2 ASP 17 2HB ASP 17 -6.911 -9.379 -8.929 128 HB3 ASP 17 3HB ASP 17 -7.820 -10.877 -8.960 129 HD2 ASP 17 HD2 ASP 17 -9.445 -10.041 -11.348 130 H GLY 18 HN GLY 18 -7.624 -11.637 -5.811 131 HA2 GLY 18 1HA GLY 18 -9.923 -13.253 -6.435 132 HA3 GLY 18 2HA GLY 18 -8.603 -13.635 -5.347 133 H CYS 19 HN CYS 19 -9.452 -10.574 -4.404 134 HA CYS 19 HA CYS 19 -11.657 -11.485 -2.723 135 HB2 CYS 19 2HB CYS 19 -10.508 -10.124 -0.835 136 HB3 CYS 19 3HB CYS 19 -9.960 -11.757 -1.161 137 HG CYS 19 HG CYS 19 -7.689 -11.126 -1.348 138 H LYS 20 HN LYS 20 -11.325 -9.813 -5.227 139 HA LYS 20 HA LYS 20 -11.625 -7.098 -4.361 140 HB2 LYS 20 2HB LYS 20 -11.462 -8.566 -6.941 141 HB3 LYS 20 3HB LYS 20 -12.372 -7.068 -6.960 142 HG2 LYS 20 2HG LYS 20 -9.540 -7.340 -5.845 143 HG3 LYS 20 3HG LYS 20 -9.910 -6.773 -7.462 144 HD2 LYS 20 2HD LYS 20 -10.538 -5.436 -4.809 145 HD3 LYS 20 3HD LYS 20 -9.652 -4.782 -6.172 146 HE2 LYS 20 2HE LYS 20 -12.653 -5.317 -6.024 147 HE3 LYS 20 3HE LYS 20 -11.867 -3.755 -6.133 148 HZ1 LYS 20 1HZ LYS 20 -10.948 -5.228 -8.300 149 HZ2 LYS 20 2HZ LYS 20 -12.551 -5.509 -8.249 150 H ALA 21 HN ALA 21 -13.635 -9.890 -4.553 151 HA ALA 21 HA ALA 21 -16.048 -8.293 -4.895 152 HB1 ALA 21 1HB ALA 21 -16.901 -10.849 -4.530 153 HB2 ALA 21 2HB ALA 21 -16.409 -10.193 -6.110 154 HB3 ALA 21 3HB ALA 21 -15.260 -11.154 -5.148 155 H ALA 22 HN ALA 22 -17.037 -7.428 -3.147 156 HA ALA 22 HA ALA 22 -16.167 -7.749 -0.567 157 HB1 ALA 22 1HB ALA 22 -18.469 -6.814 0.003 158 HB2 ALA 22 2HB ALA 22 -17.530 -5.879 -1.186 159 HB3 ALA 22 3HB ALA 22 -18.853 -6.938 -1.731 160 H GLY 23 HN GLY 23 -17.058 -8.881 1.292 161 HA2 GLY 23 1HA GLY 23 -17.649 -10.802 2.308 162 HA3 GLY 23 2HA GLY 23 -19.102 -10.691 1.334 163 H SER 24 HN SER 24 -15.996 -10.947 -0.328 164 HA SER 24 HA SER 24 -16.544 -13.777 -0.757 165 HB2 SER 24 2HB SER 24 -17.075 -11.994 -2.684 166 HB3 SER 24 3HB SER 24 -15.349 -12.107 -2.965 167 HG SER 24 HG SER 24 -15.530 -14.186 -3.631 168 H PHE 25 HN PHE 25 -14.614 -11.899 0.900 169 HA PHE 25 HA PHE 25 -12.067 -12.743 -0.209 170 HB2 PHE 25 2HB PHE 25 -12.068 -10.485 0.604 171 HB3 PHE 25 3HB PHE 25 -13.151 -10.868 1.928 172 HD1 PHE 25 HD1 PHE 25 -9.664 -10.992 0.781 173 HD2 PHE 25 HD2 PHE 25 -12.304 -11.668 4.033 174 HE1 PHE 25 HE1 PHE 25 -7.703 -11.146 2.340 175 HE2 PHE 25 HE2 PHE 25 -10.344 -11.822 5.593 176 HZ PHE 25 HZ PHE 25 -8.067 -11.559 4.728 177 H ASP 26 HN ASP 26 -10.636 -14.184 0.803 178 HA ASP 26 HA ASP 26 -11.655 -15.412 3.234 179 HB2 ASP 26 2HB ASP 26 -10.967 -16.682 0.605 180 HB3 ASP 26 3HB ASP 26 -10.405 -17.529 2.033 181 HD2 ASP 26 HD2 ASP 26 -13.268 -18.948 2.741 182 H HIS 27 HN HIS 27 -10.030 -14.418 4.550 183 HA HIS 27 HA HIS 27 -7.517 -13.766 3.956 184 HB2 HIS 27 2HB HIS 27 -6.989 -14.305 6.389 185 HB3 HIS 27 3HB HIS 27 -8.308 -13.194 6.076 186 HD1 HIS 27 HD1 HIS 27 -10.771 -14.092 6.491 187 HD2 HIS 27 HD2 HIS 27 -7.699 -16.692 7.673 188 HE1 HIS 27 HE1 HIS 27 -11.858 -15.848 7.989 189 H LYS 28 HN LYS 28 -8.382 -16.997 5.395 190 HA LYS 28 HA LYS 28 -5.978 -18.197 5.241 191 HB2 LYS 28 2HB LYS 28 -8.796 -19.155 5.023 192 HB3 LYS 28 3HB LYS 28 -7.527 -20.291 4.613 193 HG2 LYS 28 2HG LYS 28 -7.213 -18.675 7.142 194 HG3 LYS 28 3HG LYS 28 -8.377 -19.984 7.145 195 HD2 LYS 28 2HD LYS 28 -5.401 -20.201 6.497 196 HD3 LYS 28 3HD LYS 28 -6.206 -20.826 7.923 197 HE2 LYS 28 2HE LYS 28 -7.705 -22.115 6.104 198 HE3 LYS 28 3HE LYS 28 -6.304 -21.853 5.084 199 HZ1 LYS 28 1HZ LYS 28 -4.959 -23.110 6.526 200 HZ2 LYS 28 2HZ LYS 28 -5.980 -23.000 7.790 201 H LYS 29 HN LYS 29 -8.434 -18.133 2.563 202 HA LYS 29 HA LYS 29 -6.969 -19.470 0.687 203 HB2 LYS 29 2HB LYS 29 -9.077 -17.333 0.550 204 HB3 LYS 29 3HB LYS 29 -8.294 -17.865 -0.924 205 HG2 LYS 29 2HG LYS 29 -9.288 -19.982 0.982 206 HG3 LYS 29 3HG LYS 29 -10.479 -19.102 0.044 207 HD2 LYS 29 2HD LYS 29 -9.932 -20.989 -1.308 208 HD3 LYS 29 3HD LYS 29 -9.060 -19.657 -2.042 209 HE2 LYS 29 2HE LYS 29 -7.657 -21.260 0.100 210 HE3 LYS 29 3HE LYS 29 -7.847 -21.989 -1.482 211 HZ1 LYS 29 1HZ LYS 29 -6.087 -20.761 -2.105 212 HZ2 LYS 29 2HZ LYS 29 -6.978 -19.406 -1.960 213 H PHE 30 HN PHE 30 -7.040 -15.874 1.221 214 HA PHE 30 HA PHE 30 -5.298 -15.058 -0.629 215 HB2 PHE 30 2HB PHE 30 -6.510 -13.954 1.508 216 HB3 PHE 30 3HB PHE 30 -4.968 -14.232 2.294 217 HD1 PHE 30 HD1 PHE 30 -6.837 -11.875 0.580 218 HD2 PHE 30 HD2 PHE 30 -2.880 -13.392 0.802 219 HE1 PHE 30 HE1 PHE 30 -5.960 -9.727 -0.377 220 HE2 PHE 30 HE2 PHE 30 -2.003 -11.244 -0.156 221 HZ PHE 30 HZ PHE 30 -3.554 -9.437 -0.734 222 H PHE 31 HN PHE 31 -4.224 -15.982 2.728 223 HA PHE 31 HA PHE 31 -1.523 -15.916 2.155 224 HB2 PHE 31 2HB PHE 31 -3.179 -17.666 4.072 225 HB3 PHE 31 3HB PHE 31 -1.452 -17.415 4.232 226 HD1 PHE 31 HD1 PHE 31 -4.556 -16.371 5.385 227 HD2 PHE 31 HD2 PHE 31 -0.766 -14.817 4.278 228 HE1 PHE 31 HE1 PHE 31 -4.982 -14.334 6.788 229 HE2 PHE 31 HE2 PHE 31 -1.192 -12.780 5.681 230 HZ PHE 31 HZ PHE 31 -3.295 -12.562 6.919 231 H LYS 32 HN LYS 32 -3.975 -18.413 1.525 232 HA LYS 32 HA LYS 32 -2.035 -20.464 1.053 233 HB2 LYS 32 2HB LYS 32 -4.521 -20.647 1.843 234 HB3 LYS 32 3HB LYS 32 -4.899 -20.557 0.135 235 HG2 LYS 32 2HG LYS 32 -3.026 -22.427 -0.101 236 HG3 LYS 32 3HG LYS 32 -3.311 -22.675 1.610 237 HD2 LYS 32 2HD LYS 32 -5.513 -23.423 1.287 238 HD3 LYS 32 3HD LYS 32 -5.714 -22.530 -0.207 239 HE2 LYS 32 2HE LYS 32 -5.487 -24.696 -1.049 240 HE3 LYS 32 3HE LYS 32 -3.819 -24.162 -1.115 241 HZ1 LYS 32 1HZ LYS 32 -5.013 -25.759 1.089 242 HZ2 LYS 32 2HZ LYS 32 -3.972 -26.319 -0.031 243 H ALA 33 HN ALA 33 -3.256 -17.728 -0.672 244 HA ALA 33 HA ALA 33 -2.871 -18.891 -3.278 245 HB1 ALA 33 1HB ALA 33 -3.026 -16.088 -3.478 246 HB2 ALA 33 2HB ALA 33 -4.357 -17.252 -3.687 247 HB3 ALA 33 3HB ALA 33 -4.066 -16.510 -2.096 248 H CYS 34 HN CYS 34 -1.360 -16.125 -1.454 249 HA CYS 34 HA CYS 34 0.808 -15.936 -3.196 250 HB2 CYS 34 2HB CYS 34 1.855 -14.618 -1.297 251 HB3 CYS 34 3HB CYS 34 0.308 -14.036 -1.880 252 HG CYS 34 HG CYS 34 -0.429 -13.820 0.385 253 H GLY 35 HN GLY 35 -0.047 -18.171 -0.650 254 HA2 GLY 35 1HA GLY 35 1.057 -20.204 -0.358 255 HA3 GLY 35 2HA GLY 35 2.548 -19.501 -0.953 256 H LEU 36 HN LEU 36 1.049 -17.252 1.119 257 HA LEU 36 HA LEU 36 3.065 -17.466 3.046 258 HB2 LEU 36 2HB LEU 36 0.520 -15.934 2.747 259 HB3 LEU 36 3HB LEU 36 1.301 -15.965 4.316 260 HG LEU 36 HG LEU 36 2.805 -15.177 1.819 261 HD11 LEU 36 1HD1 LEU 36 1.577 -13.340 1.614 262 HD12 LEU 36 2HD1 LEU 36 0.637 -13.736 3.072 263 HD13 LEU 36 3HD1 LEU 36 2.162 -12.831 3.216 264 HD21 LEU 36 1HD2 LEU 36 4.502 -15.168 3.256 265 HD22 LEU 36 2HD2 LEU 36 3.740 -13.754 4.023 266 HD23 LEU 36 3HD2 LEU 36 3.419 -15.388 4.651 267 H SER 37 HN SER 37 0.192 -19.306 2.514 268 HA SER 37 HA SER 37 -0.339 -19.895 5.214 269 HB2 SER 37 2HB SER 37 -1.963 -21.412 4.380 270 HB3 SER 37 3HB SER 37 -1.915 -20.127 3.189 271 HG SER 37 HG SER 37 -0.810 -22.779 3.019 272 H GLY 38 HN GLY 38 2.223 -20.713 3.123 273 HA2 GLY 38 1HA GLY 38 2.949 -22.995 4.842 274 HA3 GLY 38 2HA GLY 38 3.023 -23.143 3.098 275 H LYS 39 HN LYS 39 3.634 -19.903 4.094 276 HA LYS 39 HA LYS 39 6.298 -20.024 3.183 277 HB2 LYS 39 2HB LYS 39 4.497 -17.941 4.357 278 HB3 LYS 39 3HB LYS 39 6.220 -17.623 4.323 279 HG2 LYS 39 2HG LYS 39 4.478 -18.355 1.923 280 HG3 LYS 39 3HG LYS 39 5.155 -16.775 2.262 281 HD2 LYS 39 2HD LYS 39 7.459 -18.196 2.312 282 HD3 LYS 39 3HD LYS 39 6.533 -19.263 1.275 283 HE2 LYS 39 2HE LYS 39 5.919 -16.874 0.101 284 HE3 LYS 39 3HE LYS 39 7.495 -16.470 0.753 285 HZ1 LYS 39 1HZ LYS 39 6.834 -18.510 -1.256 286 HZ2 LYS 39 2HZ LYS 39 8.043 -17.419 -1.272 287 H SER 40 HN SER 40 8.081 -18.889 4.690 288 HA SER 40 HA SER 40 8.402 -20.751 6.811 289 HB2 SER 40 2HB SER 40 10.142 -18.383 5.990 290 HB3 SER 40 3HB SER 40 10.620 -19.660 7.090 291 HG SER 40 HG SER 40 10.710 -21.137 5.428 292 H THR 41 HN THR 41 8.422 -20.316 9.069 293 HA THR 41 HA THR 41 6.730 -18.241 9.938 294 HB THR 41 HB THR 41 8.582 -20.271 11.258 295 HG1 THR 41 HG1 THR 41 6.480 -21.162 11.655 296 HG21 THR 41 1HG2 THR 41 6.843 -19.460 13.239 297 HG22 THR 41 2HG2 THR 41 8.530 -18.903 13.125 298 HG23 THR 41 3HG2 THR 41 7.215 -17.901 12.466 299 H ASP 42 HN ASP 42 9.992 -18.164 8.927 300 HA ASP 42 HA ASP 42 10.790 -16.149 10.765 301 HB2 ASP 42 2HB ASP 42 12.415 -17.717 9.721 302 HB3 ASP 42 3HB ASP 42 12.001 -17.111 8.130 303 HD2 ASP 42 HD2 ASP 42 14.609 -16.178 10.486 304 H GLU 43 HN GLU 43 10.060 -16.378 7.200 305 HA GLU 43 HA GLU 43 10.287 -13.638 6.755 306 HB2 GLU 43 2HB GLU 43 9.599 -14.116 4.556 307 HB3 GLU 43 3HB GLU 43 10.312 -15.630 5.075 308 HG2 GLU 43 2HG GLU 43 8.052 -16.510 5.657 309 HG3 GLU 43 3HG GLU 43 7.326 -14.988 5.181 310 HE2 GLU 43 HE2 GLU 43 9.715 -16.250 2.592 311 H VAL 44 HN VAL 44 7.546 -15.778 7.651 312 HA VAL 44 HA VAL 44 5.420 -14.159 7.165 313 HB VAL 44 HB VAL 44 6.015 -16.045 9.443 314 HG11 VAL 44 1HG1 VAL 44 4.251 -14.315 10.025 315 HG12 VAL 44 2HG1 VAL 44 3.267 -15.000 8.710 316 HG13 VAL 44 3HG1 VAL 44 3.727 -16.014 10.099 317 HG21 VAL 44 1HG2 VAL 44 5.812 -16.742 6.922 318 HG22 VAL 44 2HG2 VAL 44 4.995 -17.699 8.181 319 HG23 VAL 44 3HG2 VAL 44 4.067 -16.535 7.205 320 H LYS 45 HN LYS 45 7.628 -14.101 10.034 321 HA LYS 45 HA LYS 45 6.298 -12.084 11.400 322 HB2 LYS 45 2HB LYS 45 9.209 -12.923 11.392 323 HB3 LYS 45 3HB LYS 45 8.537 -11.761 12.518 324 HG2 LYS 45 2HG LYS 45 7.123 -13.377 13.548 325 HG3 LYS 45 3HG LYS 45 7.217 -14.472 12.183 326 HD2 LYS 45 2HD LYS 45 9.608 -14.931 12.683 327 HD3 LYS 45 3HD LYS 45 9.570 -13.784 14.007 328 HE2 LYS 45 2HE LYS 45 7.879 -16.325 13.823 329 HE3 LYS 45 3HE LYS 45 9.311 -16.132 14.813 330 HZ1 LYS 45 1HZ LYS 45 7.715 -15.548 16.330 331 HZ2 LYS 45 2HZ LYS 45 7.907 -14.065 15.684 332 H LYS 46 HN LYS 46 8.504 -12.013 8.615 333 HA LYS 46 HA LYS 46 8.885 -9.171 8.814 334 HB2 LYS 46 2HB LYS 46 9.547 -10.814 6.386 335 HB3 LYS 46 3HB LYS 46 10.364 -9.404 7.031 336 HG2 LYS 46 2HG LYS 46 10.371 -12.228 8.178 337 HG3 LYS 46 3HG LYS 46 11.739 -11.337 7.542 338 HD2 LYS 46 2HD LYS 46 10.149 -10.339 9.942 339 HD3 LYS 46 3HD LYS 46 11.494 -11.448 10.122 340 HE2 LYS 46 2HE LYS 46 11.655 -8.711 8.769 341 HE3 LYS 46 3HE LYS 46 12.185 -9.054 10.403 342 HZ1 LYS 46 1HZ LYS 46 13.844 -9.209 8.372 343 HZ2 LYS 46 2HZ LYS 46 14.000 -10.221 9.639 344 H ALA 47 HN ALA 47 6.538 -11.399 7.493 345 HA ALA 47 HA ALA 47 5.579 -9.586 5.491 346 HB1 ALA 47 1HB ALA 47 5.278 -11.879 5.012 347 HB2 ALA 47 2HB ALA 47 4.683 -12.237 6.651 348 HB3 ALA 47 3HB ALA 47 3.660 -11.330 5.511 349 H PHE 48 HN PHE 48 4.750 -10.533 8.862 350 HA PHE 48 HA PHE 48 2.325 -9.157 8.981 351 HB2 PHE 48 2HB PHE 48 2.896 -10.774 10.690 352 HB3 PHE 48 3HB PHE 48 4.498 -10.098 10.909 353 HD1 PHE 48 HD1 PHE 48 4.593 -7.683 11.898 354 HD2 PHE 48 HD2 PHE 48 1.214 -10.233 12.195 355 HE1 PHE 48 HE1 PHE 48 3.765 -6.357 13.861 356 HE2 PHE 48 HE2 PHE 48 0.386 -8.906 14.158 357 HZ PHE 48 HZ PHE 48 1.671 -6.984 14.968 358 H ALA 49 HN ALA 49 5.636 -8.035 8.920 359 HA ALA 49 HA ALA 49 4.999 -5.541 10.241 360 HB1 ALA 49 1HB ALA 49 7.507 -5.265 9.144 361 HB2 ALA 49 2HB ALA 49 7.172 -5.945 10.754 362 HB3 ALA 49 3HB ALA 49 7.400 -7.029 9.360 363 H ILE 50 HN ILE 50 4.358 -6.891 7.243 364 HA ILE 50 HA ILE 50 5.018 -4.598 5.645 365 HB ILE 50 HB ILE 50 3.309 -6.992 4.969 366 HG12 ILE 50 2HG1 ILE 50 5.579 -7.613 5.822 367 HG13 ILE 50 3HG1 ILE 50 5.254 -8.108 4.172 368 HG21 ILE 50 1HG2 ILE 50 4.579 -6.190 2.680 369 HG22 ILE 50 2HG2 ILE 50 2.913 -5.763 3.140 370 HG23 ILE 50 3HG2 ILE 50 4.248 -4.637 3.483 371 HD11 ILE 50 1HD1 ILE 50 6.406 -5.411 4.255 372 HD12 ILE 50 2HD1 ILE 50 7.457 -6.603 5.055 373 HD13 ILE 50 3HD1 ILE 50 6.960 -6.848 3.364 374 H ILE 51 HN ILE 51 1.953 -6.204 6.759 375 HA ILE 51 HA ILE 51 0.287 -4.177 5.808 376 HB ILE 51 HB ILE 51 -0.281 -5.960 8.166 377 HG12 ILE 51 2HG1 ILE 51 -1.162 -7.157 5.729 378 HG13 ILE 51 3HG1 ILE 51 0.541 -6.786 5.550 379 HG21 ILE 51 1HG2 ILE 51 -2.434 -5.422 7.885 380 HG22 ILE 51 2HG2 ILE 51 -1.816 -4.035 6.956 381 HG23 ILE 51 3HG2 ILE 51 -2.330 -5.515 6.111 382 HD11 ILE 51 1HD1 ILE 51 0.621 -7.794 8.063 383 HD12 ILE 51 2HD1 ILE 51 -0.807 -8.665 7.455 384 HD13 ILE 51 3HD1 ILE 51 0.755 -8.823 6.617 385 H ASP 52 HN ASP 52 1.533 -4.809 9.164 386 HA ASP 52 HA ASP 52 0.450 -2.818 10.496 387 HB2 ASP 52 2HB ASP 52 3.323 -3.810 10.501 388 HB3 ASP 52 3HB ASP 52 2.812 -2.575 11.634 389 HD2 ASP 52 HD2 ASP 52 2.051 -6.325 11.522 390 H GLN 53 HN GLN 53 0.080 -0.740 9.644 391 HA GLN 53 HA GLN 53 2.265 0.512 8.220 392 HB2 GLN 53 2HB GLN 53 -0.585 1.528 8.578 393 HB3 GLN 53 3HB GLN 53 0.600 2.109 7.425 394 HG2 GLN 53 2HG GLN 53 0.644 -0.388 6.570 395 HG3 GLN 53 3HG GLN 53 -0.871 -0.546 7.436 396 HE21 GLN 53 1HE2 GLN 53 -2.524 -0.396 6.141 397 HE22 GLN 53 2HE2 GLN 53 -2.731 0.699 4.816 398 H ASP 54 HN ASP 54 0.686 0.484 11.226 399 HA ASP 54 HA ASP 54 1.933 3.088 12.036 400 HB2 ASP 54 2HB ASP 54 0.190 2.930 13.871 401 HB3 ASP 54 3HB ASP 54 -0.479 3.062 12.246 402 H LYS 55 HN LYS 55 2.397 -0.316 12.216 403 HA LYS 55 HA LYS 55 3.428 -1.664 13.648 404 HB2 LYS 55 2HB LYS 55 5.193 0.595 14.520 405 HB3 LYS 55 3HB LYS 55 5.610 -1.055 14.105 406 HG2 LYS 55 2HG LYS 55 4.698 1.099 12.139 407 HG3 LYS 55 3HG LYS 55 6.342 0.526 12.334 408 HD2 LYS 55 2HD LYS 55 3.950 -0.975 11.215 409 HD3 LYS 55 3HD LYS 55 5.495 -0.670 10.445 410 HE2 LYS 55 2HE LYS 55 6.413 -2.069 12.566 411 HE3 LYS 55 3HE LYS 55 4.786 -2.721 12.537 412 HZ1 LYS 55 1HZ LYS 55 5.368 -2.944 9.972 413 HZ2 LYS 55 2HZ LYS 55 6.895 -3.010 10.534 414 H SER 56 HN SER 56 1.024 -0.739 14.701 415 HA SER 56 HA SER 56 1.306 0.459 17.188 416 HB2 SER 56 2HB SER 56 -1.014 -0.828 17.526 417 HB3 SER 56 3HB SER 56 -0.883 0.555 16.458 418 HG SER 56 HG SER 56 -1.942 -1.095 15.315 419 H GLY 57 HN GLY 57 2.262 -2.629 16.074 420 HA2 GLY 57 1HA GLY 57 3.567 -3.971 17.563 421 HA3 GLY 57 2HA GLY 57 2.436 -3.615 18.852 422 H PHE 58 HN PHE 58 0.071 -3.873 16.918 423 HA PHE 58 HA PHE 58 0.201 -6.710 16.297 424 HB2 PHE 58 2HB PHE 58 -1.904 -5.307 18.052 425 HB3 PHE 58 3HB PHE 58 -1.997 -6.984 17.551 426 HD1 PHE 58 HD1 PHE 58 0.756 -7.919 17.984 427 HD2 PHE 58 HD2 PHE 58 -1.656 -5.357 20.357 428 HE1 PHE 58 HE1 PHE 58 2.042 -8.602 20.029 429 HE2 PHE 58 HE2 PHE 58 -0.370 -6.040 22.401 430 HZ PHE 58 HZ PHE 58 1.464 -7.654 22.213 431 H ILE 59 HN ILE 59 -2.226 -7.301 15.408 432 HA ILE 59 HA ILE 59 -2.892 -5.107 13.569 433 HB ILE 59 HB ILE 59 -2.757 -8.082 13.095 434 HG12 ILE 59 2HG1 ILE 59 -1.360 -5.802 11.668 435 HG13 ILE 59 3HG1 ILE 59 -0.643 -6.721 12.976 436 HG21 ILE 59 1HG2 ILE 59 -3.720 -6.033 11.094 437 HG22 ILE 59 2HG2 ILE 59 -3.762 -7.809 10.979 438 HG23 ILE 59 3HG2 ILE 59 -4.827 -6.967 12.130 439 HD11 ILE 59 1HD1 ILE 59 -1.147 -7.520 10.154 440 HD12 ILE 59 2HD1 ILE 59 0.116 -8.066 11.283 441 HD13 ILE 59 3HD1 ILE 59 -1.517 -8.770 11.367 442 H GLU 60 HN GLU 60 -4.476 -4.274 15.047 443 HA GLU 60 HA GLU 60 -6.432 -5.924 16.153 444 HB2 GLU 60 2HB GLU 60 -6.825 -2.974 15.559 445 HB3 GLU 60 3HB GLU 60 -7.462 -3.903 16.902 446 HG2 GLU 60 2HG GLU 60 -5.658 -3.318 18.139 447 HG3 GLU 60 3HG GLU 60 -4.629 -4.206 17.033 448 HE2 GLU 60 HE2 GLU 60 -2.921 -2.172 17.029 449 H GLU 61 HN GLU 61 -8.931 -5.237 15.663 450 HA GLU 61 HA GLU 61 -9.526 -6.395 13.260 451 HB2 GLU 61 2HB GLU 61 -10.977 -5.881 15.410 452 HB3 GLU 61 3HB GLU 61 -11.415 -4.416 14.553 453 HG2 GLU 61 2HG GLU 61 -12.035 -5.908 12.549 454 HG3 GLU 61 3HG GLU 61 -11.832 -7.287 13.611 455 HE2 GLU 61 HE2 GLU 61 -13.779 -7.154 15.605 456 H GLU 62 HN GLU 62 -9.601 -2.874 14.161 457 HA GLU 62 HA GLU 62 -10.438 -1.916 11.758 458 HB2 GLU 62 2HB GLU 62 -8.406 -0.610 13.621 459 HB3 GLU 62 3HB GLU 62 -9.404 0.222 12.445 460 HG2 GLU 62 2HG GLU 62 -11.419 -0.926 13.732 461 HG3 GLU 62 3HG GLU 62 -10.252 -1.128 15.023 462 HE2 GLU 62 HE2 GLU 62 -11.594 1.417 16.162 463 H GLU 63 HN GLU 63 -7.381 -3.396 12.603 464 HA GLU 63 HA GLU 63 -6.126 -2.278 10.247 465 HB2 GLU 63 2HB GLU 63 -5.070 -3.948 12.563 466 HB3 GLU 63 3HB GLU 63 -4.096 -3.571 11.156 467 HG2 GLU 63 2HG GLU 63 -4.966 -1.063 11.719 468 HG3 GLU 63 3HG GLU 63 -5.088 -1.743 13.329 469 H LEU 64 HN LEU 64 -7.693 -5.179 11.473 470 HA LEU 64 HA LEU 64 -6.528 -7.081 9.810 471 HB2 LEU 64 2HB LEU 64 -9.092 -6.823 11.316 472 HB3 LEU 64 3HB LEU 64 -8.941 -8.115 10.141 473 HG LEU 64 HG LEU 64 -7.150 -7.655 12.542 474 HD11 LEU 64 1HD1 LEU 64 -9.317 -9.679 11.954 475 HD12 LEU 64 2HD1 LEU 64 -8.105 -9.887 13.241 476 HD13 LEU 64 3HD1 LEU 64 -9.229 -8.508 13.291 477 HD21 LEU 64 1HD2 LEU 64 -6.622 -9.065 10.098 478 HD22 LEU 64 2HD2 LEU 64 -5.589 -8.863 11.534 479 HD23 LEU 64 3HD2 LEU 64 -6.731 -10.225 11.444 480 H LYS 65 HN LYS 65 -9.477 -5.021 9.344 481 HA LYS 65 HA LYS 65 -10.103 -6.005 6.822 482 HB2 LYS 65 2HB LYS 65 -11.642 -4.253 6.701 483 HB3 LYS 65 3HB LYS 65 -11.492 -4.563 8.418 484 HG2 LYS 65 2HG LYS 65 -9.931 -2.672 8.676 485 HG3 LYS 65 3HG LYS 65 -9.906 -2.410 6.943 486 HD2 LYS 65 2HD LYS 65 -11.474 -0.806 7.646 487 HD3 LYS 65 3HD LYS 65 -12.512 -2.134 7.167 488 HE2 LYS 65 2HE LYS 65 -13.422 -1.744 9.259 489 HE3 LYS 65 3HE LYS 65 -12.163 -2.864 9.740 490 HZ1 LYS 65 1HZ LYS 65 -11.231 -0.146 9.607 491 HZ2 LYS 65 2HZ LYS 65 -12.432 -0.331 10.691 492 H LEU 66 HN LEU 66 -7.419 -4.111 7.904 493 HA LEU 66 HA LEU 66 -6.983 -2.991 5.254 494 HB2 LEU 66 2HB LEU 66 -5.286 -2.666 7.724 495 HB3 LEU 66 3HB LEU 66 -5.255 -1.699 6.263 496 HG LEU 66 HG LEU 66 -7.552 -1.821 8.238 497 HD11 LEU 66 1HD1 LEU 66 -5.551 0.404 7.762 498 HD12 LEU 66 2HD1 LEU 66 -6.890 0.396 8.936 499 HD13 LEU 66 3HD1 LEU 66 -5.524 -0.728 9.136 500 HD21 LEU 66 1HD2 LEU 66 -7.254 0.214 6.043 501 HD22 LEU 66 2HD2 LEU 66 -8.032 -1.357 5.737 502 HD23 LEU 66 3HD2 LEU 66 -8.702 -0.256 6.965 503 H PHE 67 HN PHE 67 -6.978 -5.937 5.776 504 HA PHE 67 HA PHE 67 -4.237 -6.723 5.767 505 HB2 PHE 67 2HB PHE 67 -6.032 -8.182 6.641 506 HB3 PHE 67 3HB PHE 67 -6.950 -8.025 5.156 507 HD1 PHE 67 HD1 PHE 67 -3.564 -9.175 6.248 508 HD2 PHE 67 HD2 PHE 67 -6.895 -9.801 3.695 509 HE1 PHE 67 HE1 PHE 67 -2.494 -11.266 5.365 510 HE2 PHE 67 HE2 PHE 67 -5.825 -11.893 2.812 511 HZ PHE 67 HZ PHE 67 -3.637 -12.600 3.657 512 H LEU 68 HN LEU 68 -5.960 -5.045 3.503 513 HA LEU 68 HA LEU 68 -4.614 -6.440 1.294 514 HB2 LEU 68 2HB LEU 68 -7.143 -4.801 1.125 515 HB3 LEU 68 3HB LEU 68 -6.375 -5.701 -0.168 516 HG LEU 68 HG LEU 68 -7.905 -6.745 2.206 517 HD11 LEU 68 1HD1 LEU 68 -9.515 -7.054 0.715 518 HD12 LEU 68 2HD1 LEU 68 -8.489 -6.304 -0.532 519 HD13 LEU 68 3HD1 LEU 68 -8.438 -8.065 -0.279 520 HD21 LEU 68 1HD2 LEU 68 -6.257 -8.290 2.417 521 HD22 LEU 68 2HD2 LEU 68 -7.152 -9.049 1.079 522 HD23 LEU 68 3HD2 LEU 68 -5.692 -8.089 0.741 523 H GLN 69 HN GLN 69 -4.613 -3.755 3.343 524 HA GLN 69 HA GLN 69 -3.774 -1.914 1.300 525 HB2 GLN 69 2HB GLN 69 -4.090 -1.646 4.319 526 HB3 GLN 69 3HB GLN 69 -3.522 -0.343 3.294 527 HG2 GLN 69 2HG GLN 69 -5.711 -0.834 1.887 528 HG3 GLN 69 3HG GLN 69 -6.257 -1.653 3.337 529 HE21 GLN 69 1HE2 GLN 69 -7.825 0.246 2.803 530 HE22 GLN 69 2HE2 GLN 69 -7.573 1.702 3.706 531 H ASN 70 HN ASN 70 -2.348 -4.501 2.741 532 HA ASN 70 HA ASN 70 0.102 -3.236 3.491 533 HB2 ASN 70 2HB ASN 70 0.842 -5.495 4.067 534 HB3 ASN 70 3HB ASN 70 -0.812 -5.324 4.620 535 HD21 ASN 70 1HD2 ASN 70 -2.516 -6.258 3.434 536 HD22 ASN 70 2HD2 ASN 70 -2.266 -7.603 2.371 537 H PHE 71 HN PHE 71 -1.221 -5.400 0.900 538 HA PHE 71 HA PHE 71 1.280 -5.409 -0.517 539 HB2 PHE 71 2HB PHE 71 -1.573 -6.302 -1.253 540 HB3 PHE 71 3HB PHE 71 -0.125 -6.774 -2.119 541 HD1 PHE 71 HD1 PHE 71 -2.455 -7.888 0.153 542 HD2 PHE 71 HD2 PHE 71 1.748 -7.822 -0.434 543 HE1 PHE 71 HE1 PHE 71 -2.214 -9.891 1.647 544 HE2 PHE 71 HE2 PHE 71 1.988 -9.824 1.059 545 HZ PHE 71 HZ PHE 71 0.005 -10.835 2.082 546 H LYS 72 HN LYS 72 -0.754 -2.944 -0.014 547 HA LYS 72 HA LYS 72 0.048 -1.470 -2.197 548 HB2 LYS 72 2HB LYS 72 -1.816 -3.286 -3.083 549 HB3 LYS 72 3HB LYS 72 -2.819 -1.893 -2.734 550 HG2 LYS 72 2HG LYS 72 -1.583 -0.479 -4.228 551 HG3 LYS 72 3HG LYS 72 -0.233 -1.594 -4.305 552 HD2 LYS 72 2HD LYS 72 -1.277 -2.987 -5.838 553 HD3 LYS 72 3HD LYS 72 -2.877 -2.691 -5.189 554 HE2 LYS 72 2HE LYS 72 -3.128 -0.646 -6.374 555 HE3 LYS 72 3HE LYS 72 -1.402 -0.447 -6.597 556 HZ1 LYS 72 1HZ LYS 72 -2.250 -1.200 -8.662 557 HZ2 LYS 72 2HZ LYS 72 -1.542 -2.524 -8.032 558 H ALA 73 HN ALA 73 -0.998 0.710 -2.211 559 HA ALA 73 HA ALA 73 -2.166 1.225 0.435 560 HB1 ALA 73 1HB ALA 73 -1.284 3.642 -0.338 561 HB2 ALA 73 2HB ALA 73 -0.224 2.459 0.465 562 HB3 ALA 73 3HB ALA 73 -0.179 2.636 -1.305 563 H GLY 74 HN GLY 74 -3.662 0.252 -1.918 564 HA2 GLY 74 1HA GLY 74 -5.635 2.377 -1.998 565 HA3 GLY 74 2HA GLY 74 -4.889 1.997 -3.537 566 H ALA 75 HN ALA 75 -5.189 -0.541 -1.081 567 HA ALA 75 HA ALA 75 -6.971 -1.971 -2.867 568 HB1 ALA 75 1HB ALA 75 -6.093 -3.162 -0.286 569 HB2 ALA 75 2HB ALA 75 -6.080 -3.849 -1.927 570 HB3 ALA 75 3HB ALA 75 -4.792 -2.730 -1.421 571 H ARG 76 HN ARG 76 -8.839 -3.221 -1.821 572 HA ARG 76 HA ARG 76 -10.364 -1.297 -0.379 573 HB2 ARG 76 2HB ARG 76 -12.254 -2.712 -0.852 574 HB3 ARG 76 3HB ARG 76 -11.237 -2.799 -2.277 575 HG2 ARG 76 2HG ARG 76 -11.538 -5.067 -1.979 576 HG3 ARG 76 3HG ARG 76 -10.160 -4.875 -0.913 577 HD2 ARG 76 2HD ARG 76 -11.475 -4.981 1.042 578 HD3 ARG 76 3HD ARG 76 -12.924 -4.426 0.228 579 HE ARG 76 HE ARG 76 -11.905 -7.034 -0.700 580 HH11 ARG 76 HH1 ARG 76 -14.619 -8.778 0.587 581 HH21 ARG 76 1HH2 ARG 76 -15.150 -6.728 1.709 582 HH22 ARG 76 2HH2 ARG 76 -14.126 -5.349 1.486 583 H ALA 77 HN ALA 77 -11.729 -2.065 1.584 584 HA ALA 77 HA ALA 77 -9.988 -3.678 3.311 585 HB1 ALA 77 1HB ALA 77 -12.131 -2.112 4.579 586 HB2 ALA 77 2HB ALA 77 -10.388 -2.158 4.934 587 HB3 ALA 77 3HB ALA 77 -11.003 -1.113 3.632 588 H LEU 78 HN LEU 78 -10.926 -5.328 4.637 589 HA LEU 78 HA LEU 78 -13.083 -6.666 3.366 590 HB2 LEU 78 2HB LEU 78 -11.607 -7.207 5.946 591 HB3 LEU 78 3HB LEU 78 -12.785 -8.285 5.225 592 HG LEU 78 HG LEU 78 -10.695 -9.162 4.625 593 HD11 LEU 78 1HD1 LEU 78 -10.584 -8.951 2.187 594 HD12 LEU 78 2HD1 LEU 78 -12.263 -9.104 2.757 595 HD13 LEU 78 3HD1 LEU 78 -11.633 -7.515 2.260 596 HD21 LEU 78 1HD2 LEU 78 -9.439 -7.055 5.246 597 HD22 LEU 78 2HD2 LEU 78 -8.803 -7.966 3.855 598 HD23 LEU 78 3HD2 LEU 78 -9.752 -6.484 3.589 599 H SER 79 HN SER 79 -15.123 -7.313 4.432 600 HA SER 79 HA SER 79 -16.386 -5.052 5.477 601 HB2 SER 79 2HB SER 79 -17.547 -6.777 4.125 602 HB3 SER 79 3HB SER 79 -17.293 -7.964 5.389 603 HG SER 79 HG SER 79 -19.427 -6.561 5.190 604 H ASP 80 HN ASP 80 -18.005 -5.709 7.569 605 HA ASP 80 HA ASP 80 -16.206 -5.665 9.716 606 HB2 ASP 80 2HB ASP 80 -19.229 -5.857 9.468 607 HB3 ASP 80 3HB ASP 80 -18.461 -5.942 11.040 608 HD2 ASP 80 HD2 ASP 80 -18.403 -2.763 11.506 609 H ALA 81 HN ALA 81 -17.980 -8.149 7.951 610 HA ALA 81 HA ALA 81 -17.774 -10.083 10.098 611 HB1 ALA 81 1HB ALA 81 -18.732 -10.423 7.230 612 HB2 ALA 81 2HB ALA 81 -19.033 -11.514 8.604 613 HB3 ALA 81 3HB ALA 81 -19.772 -9.895 8.574 614 H GLU 82 HN GLU 82 -16.453 -9.487 6.777 615 HA GLU 82 HA GLU 82 -14.883 -11.735 6.674 616 HB2 GLU 82 2HB GLU 82 -14.666 -8.994 5.391 617 HB3 GLU 82 3HB GLU 82 -13.461 -10.226 5.072 618 HG2 GLU 82 2HG GLU 82 -15.104 -11.737 4.138 619 HG3 GLU 82 3HG GLU 82 -16.439 -10.777 4.743 620 HE2 GLU 82 HE2 GLU 82 -14.560 -8.267 2.812 621 H THR 83 HN THR 83 -14.446 -8.667 8.394 622 HA THR 83 HA THR 83 -11.652 -9.250 8.950 623 HB THR 83 HB THR 83 -13.554 -6.960 9.667 624 HG1 THR 83 HG1 THR 83 -12.814 -6.388 7.664 625 HG21 THR 83 1HG2 THR 83 -11.501 -7.408 11.266 626 HG22 THR 83 2HG2 THR 83 -10.518 -6.916 9.866 627 HG23 THR 83 3HG2 THR 83 -11.692 -5.780 10.572 628 H LYS 84 HN LYS 84 -14.756 -10.021 10.223 629 HA LYS 84 HA LYS 84 -13.911 -10.129 12.956 630 HB2 LYS 84 2HB LYS 84 -16.386 -10.683 11.407 631 HB3 LYS 84 3HB LYS 84 -16.183 -11.597 12.887 632 HG2 LYS 84 2HG LYS 84 -16.089 -9.636 14.240 633 HG3 LYS 84 3HG LYS 84 -15.702 -8.600 12.881 634 HD2 LYS 84 2HD LYS 84 -17.954 -8.088 13.089 635 HD3 LYS 84 3HD LYS 84 -18.087 -9.441 11.983 636 HE2 LYS 84 2HE LYS 84 -18.170 -9.848 15.000 637 HE3 LYS 84 3HE LYS 84 -19.616 -9.450 14.093 638 HZ1 LYS 84 1HZ LYS 84 -18.168 -11.941 14.161 639 HZ2 LYS 84 2HZ LYS 84 -19.724 -11.672 13.762 640 H ALA 85 HN ALA 85 -14.958 -12.698 10.601 641 HA ALA 85 HA ALA 85 -14.131 -14.858 12.026 642 HB1 ALA 85 1HB ALA 85 -14.260 -14.260 9.061 643 HB2 ALA 85 2HB ALA 85 -13.762 -15.861 9.660 644 HB3 ALA 85 3HB ALA 85 -15.377 -15.225 10.057 645 H PHE 86 HN PHE 86 -12.174 -12.681 9.922 646 HA PHE 86 HA PHE 86 -9.839 -14.169 9.952 647 HB2 PHE 86 2HB PHE 86 -10.736 -11.866 8.810 648 HB3 PHE 86 3HB PHE 86 -9.883 -11.131 10.153 649 HD1 PHE 86 HD1 PHE 86 -9.111 -10.519 7.418 650 HD2 PHE 86 HD2 PHE 86 -7.866 -13.720 9.911 651 HE1 PHE 86 HE1 PHE 86 -6.957 -10.679 6.138 652 HE2 PHE 86 HE2 PHE 86 -5.712 -13.879 8.632 653 HZ PHE 86 HZ PHE 86 -5.284 -12.357 6.761 654 H LEU 87 HN LEU 87 -11.254 -11.941 12.367 655 HA LEU 87 HA LEU 87 -8.890 -11.669 13.891 656 HB2 LEU 87 2HB LEU 87 -10.752 -10.079 13.924 657 HB3 LEU 87 3HB LEU 87 -11.793 -11.293 14.641 658 HG LEU 87 HG LEU 87 -10.399 -11.338 16.659 659 HD11 LEU 87 1HD1 LEU 87 -8.700 -9.382 15.116 660 HD12 LEU 87 2HD1 LEU 87 -8.681 -9.447 16.894 661 HD13 LEU 87 3HD1 LEU 87 -8.218 -10.880 15.947 662 HD21 LEU 87 1HD2 LEU 87 -11.938 -9.849 17.275 663 HD22 LEU 87 2HD2 LEU 87 -10.704 -8.604 16.969 664 HD23 LEU 87 3HD2 LEU 87 -11.886 -9.015 15.703 665 H LYS 88 HN LYS 88 -11.928 -13.573 14.518 666 HA LYS 88 HA LYS 88 -10.773 -15.021 16.623 667 HB2 LYS 88 2HB LYS 88 -13.278 -15.135 15.015 668 HB3 LYS 88 3HB LYS 88 -12.821 -16.597 15.867 669 HG2 LYS 88 2HG LYS 88 -13.879 -15.620 17.648 670 HG3 LYS 88 3HG LYS 88 -12.373 -14.744 17.841 671 HD2 LYS 88 2HD LYS 88 -14.363 -13.598 15.901 672 HD3 LYS 88 3HD LYS 88 -14.775 -13.499 17.601 673 HE2 LYS 88 2HE LYS 88 -12.228 -12.434 16.293 674 HE3 LYS 88 3HE LYS 88 -13.549 -11.473 16.928 675 HZ1 LYS 88 1HZ LYS 88 -12.931 -12.908 19.086 676 HZ2 LYS 88 2HZ LYS 88 -11.459 -12.875 18.391 677 H ALA 89 HN ALA 89 -10.419 -15.199 13.172 678 HA ALA 89 HA ALA 89 -9.921 -17.950 12.920 679 HB1 ALA 89 1HB ALA 89 -10.369 -16.761 10.937 680 HB2 ALA 89 2HB ALA 89 -9.216 -15.466 11.342 681 HB3 ALA 89 3HB ALA 89 -8.618 -17.068 10.848 682 H GLY 90 HN GLY 90 -7.526 -15.209 12.886 683 HA2 GLY 90 1HA GLY 90 -5.382 -17.012 13.558 684 HA3 GLY 90 2HA GLY 90 -5.292 -15.280 13.305 685 H ASP 91 HN ASP 91 -7.103 -14.236 15.156 686 HA ASP 91 HA ASP 91 -5.587 -14.382 17.478 687 HB2 ASP 91 2HB ASP 91 -7.349 -12.598 16.503 688 HB3 ASP 91 3HB ASP 91 -8.466 -13.470 17.534 689 HD2 ASP 91 HD2 ASP 91 -8.424 -11.206 18.527 690 H SER 92 HN SER 92 -5.569 -16.682 18.090 691 HA SER 92 HA SER 92 -8.092 -17.928 18.599 692 HB2 SER 92 2HB SER 92 -5.342 -18.765 18.204 693 HB3 SER 92 3HB SER 92 -5.945 -19.473 19.689 694 HG SER 92 HG SER 92 -7.416 -19.577 17.201 695 H ASP 93 HN ASP 93 -6.562 -15.620 20.128 696 HA ASP 93 HA ASP 93 -7.131 -16.664 22.885 697 HB2 ASP 93 2HB ASP 93 -5.384 -14.776 23.420 698 HB3 ASP 93 3HB ASP 93 -4.809 -16.315 22.782 699 H GLY 94 HN GLY 94 -8.313 -14.590 20.448 700 HA2 GLY 94 1HA GLY 94 -9.443 -12.616 20.467 701 HA3 GLY 94 2HA GLY 94 -10.312 -13.419 21.760 702 H ASP 95 HN ASP 95 -7.274 -11.513 21.177 703 HA ASP 95 HA ASP 95 -7.481 -10.566 23.904 704 HB2 ASP 95 2HB ASP 95 -5.304 -10.153 21.799 705 HB3 ASP 95 3HB ASP 95 -5.204 -9.609 23.462 706 HD2 ASP 95 HD2 ASP 95 -5.836 -12.694 24.591 707 H GLY 96 HN GLY 96 -7.992 -9.697 20.534 708 HA2 GLY 96 1HA GLY 96 -9.508 -7.727 20.347 709 HA3 GLY 96 2HA GLY 96 -8.306 -6.848 21.272 710 H LYS 97 HN LYS 97 -6.328 -8.860 19.656 711 HA LYS 97 HA LYS 97 -6.474 -7.719 17.031 712 HB2 LYS 97 2HB LYS 97 -4.112 -6.752 17.250 713 HB3 LYS 97 3HB LYS 97 -5.440 -5.819 17.908 714 HG2 LYS 97 2HG LYS 97 -4.109 -7.784 19.757 715 HG3 LYS 97 3HG LYS 97 -3.193 -6.354 19.325 716 HD2 LYS 97 2HD LYS 97 -4.564 -4.945 20.519 717 HD3 LYS 97 3HD LYS 97 -6.023 -5.795 20.049 718 HE2 LYS 97 2HE LYS 97 -5.878 -6.248 22.366 719 HE3 LYS 97 3HE LYS 97 -5.208 -7.699 21.646 720 HZ1 LYS 97 1HZ LYS 97 -2.969 -6.450 21.893 721 HZ2 LYS 97 2HZ LYS 97 -3.750 -5.498 22.959 722 H ILE 98 HN ILE 98 -4.546 -8.564 15.681 723 HA ILE 98 HA ILE 98 -3.963 -11.270 16.654 724 HB ILE 98 HB ILE 98 -4.574 -10.121 13.969 725 HG12 ILE 98 2HG1 ILE 98 -5.434 -12.556 15.543 726 HG13 ILE 98 3HG1 ILE 98 -6.396 -11.157 15.111 727 HG21 ILE 98 1HG2 ILE 98 -3.613 -12.026 12.825 728 HG22 ILE 98 2HG2 ILE 98 -2.344 -11.153 13.718 729 HG23 ILE 98 3HG2 ILE 98 -2.997 -12.679 14.362 730 HD11 ILE 98 1HD1 ILE 98 -5.226 -13.195 13.162 731 HD12 ILE 98 2HD1 ILE 98 -6.939 -13.028 13.615 732 HD13 ILE 98 3HD1 ILE 98 -6.135 -11.741 12.685 733 H GLY 99 HN GLY 99 -1.883 -11.830 17.069 734 HA2 GLY 99 1HA GLY 99 0.169 -9.810 16.537 735 HA3 GLY 99 2HA GLY 99 0.271 -11.168 17.640 736 H ILE 100 HN ILE 100 2.436 -11.453 16.519 737 HA ILE 100 HA ILE 100 2.322 -12.404 13.808 738 HB ILE 100 HB ILE 100 4.174 -11.049 15.077 739 HG12 ILE 100 2HG1 ILE 100 4.251 -11.578 12.717 740 HG13 ILE 100 3HG1 ILE 100 5.823 -11.855 13.440 741 HG21 ILE 100 1HG2 ILE 100 6.016 -12.449 15.869 742 HG22 ILE 100 2HG2 ILE 100 4.548 -12.695 16.845 743 HG23 ILE 100 3HG2 ILE 100 5.022 -13.906 15.630 744 HD11 ILE 100 1HD1 ILE 100 5.362 -13.743 12.005 745 HD12 ILE 100 2HD1 ILE 100 5.186 -14.318 13.680 746 HD13 ILE 100 3HD1 ILE 100 3.741 -13.956 12.707 747 H ASP 101 HN ASP 101 2.782 -13.750 17.122 748 HA ASP 101 HA ASP 101 3.374 -16.311 16.364 749 HB2 ASP 101 2HB ASP 101 1.574 -15.766 18.737 750 HB3 ASP 101 3HB ASP 101 2.895 -16.912 18.610 751 HD2 ASP 101 HD2 ASP 101 3.600 -14.750 20.904 752 H GLU 102 HN GLU 102 0.370 -14.466 16.278 753 HA GLU 102 HA GLU 102 -1.224 -16.860 16.052 754 HB2 GLU 102 2HB GLU 102 -1.887 -13.897 16.201 755 HB3 GLU 102 3HB GLU 102 -3.109 -15.092 15.814 756 HG2 GLU 102 2HG GLU 102 -3.097 -16.015 17.950 757 HG3 GLU 102 3HG GLU 102 -1.400 -15.667 18.214 758 H PHE 103 HN PHE 103 -0.361 -13.905 14.134 759 HA PHE 103 HA PHE 103 -1.783 -14.547 11.856 760 HB2 PHE 103 2HB PHE 103 -0.708 -12.359 12.276 761 HB3 PHE 103 3HB PHE 103 0.871 -13.106 12.416 762 HD1 PHE 103 HD1 PHE 103 -1.871 -12.505 9.975 763 HD2 PHE 103 HD2 PHE 103 2.267 -13.246 10.553 764 HE1 PHE 103 HE1 PHE 103 -1.454 -12.082 7.536 765 HE2 PHE 103 HE2 PHE 103 2.684 -12.823 8.115 766 HZ PHE 103 HZ PHE 103 0.818 -12.246 6.635 767 H ALA 104 HN ALA 104 1.307 -15.793 13.098 768 HA ALA 104 HA ALA 104 1.957 -17.023 10.563 769 HB1 ALA 104 1HB ALA 104 3.667 -16.024 12.112 770 HB2 ALA 104 2HB ALA 104 3.279 -17.300 13.291 771 HB3 ALA 104 3HB ALA 104 3.976 -17.730 11.710 772 H ALA 105 HN ALA 105 -0.062 -17.654 13.264 773 HA ALA 105 HA ALA 105 0.272 -20.522 13.162 774 HB1 ALA 105 1HB ALA 105 -0.191 -19.177 15.263 775 HB2 ALA 105 2HB ALA 105 -1.822 -18.869 14.621 776 HB3 ALA 105 3HB ALA 105 -1.306 -20.534 14.979 777 H MET 106 HN MET 106 -2.260 -18.049 12.358 778 HA MET 106 HA MET 106 -4.113 -19.826 11.396 779 HB2 MET 106 2HB MET 106 -5.134 -17.853 10.380 780 HB3 MET 106 3HB MET 106 -4.361 -17.312 11.857 781 HG2 MET 106 2HG MET 106 -2.274 -16.827 10.319 782 HG3 MET 106 3HG MET 106 -3.416 -16.934 8.994 783 HE1 MET 106 1HE MET 106 -6.011 -15.760 9.624 784 HE2 MET 106 2HE MET 106 -5.818 -16.007 11.376 785 HE3 MET 106 3HE MET 106 -6.127 -14.375 10.736 786 H ILE 107 HN ILE 107 -1.162 -18.523 9.900 787 HA ILE 107 HA ILE 107 -1.923 -19.452 7.279 788 HB ILE 107 HB ILE 107 0.244 -18.593 6.603 789 HG12 ILE 107 2HG1 ILE 107 0.695 -18.163 9.566 790 HG13 ILE 107 3HG1 ILE 107 1.624 -19.180 8.483 791 HG21 ILE 107 1HG2 ILE 107 -1.514 -17.005 6.581 792 HG22 ILE 107 2HG2 ILE 107 -1.438 -16.783 8.346 793 HG23 ILE 107 3HG2 ILE 107 -0.111 -16.193 7.316 794 HD11 ILE 107 1HD1 ILE 107 2.911 -17.183 8.699 795 HD12 ILE 107 2HD1 ILE 107 2.108 -17.030 7.119 796 HD13 ILE 107 3HD1 ILE 107 1.477 -16.144 8.528 797 H LYS 108 HN LYS 108 0.598 -20.256 9.768 798 HA LYS 108 HA LYS 108 1.655 -22.433 8.445 799 HB2 LYS 108 2HB LYS 108 2.675 -21.334 10.391 800 HB3 LYS 108 3HB LYS 108 1.399 -21.941 11.427 801 HG2 LYS 108 2HG LYS 108 2.375 -23.991 11.592 802 HG3 LYS 108 3HG LYS 108 2.579 -24.117 9.856 803 HD2 LYS 108 2HD LYS 108 4.400 -22.213 11.310 804 HD3 LYS 108 3HD LYS 108 4.679 -23.925 11.559 805 HE2 LYS 108 2HE LYS 108 6.033 -23.410 9.677 806 HE3 LYS 108 3HE LYS 108 4.611 -24.148 8.967 807 HZ1 LYS 108 1HZ LYS 108 4.917 -21.210 9.265 808 HZ2 LYS 108 2HZ LYS 108 5.296 -22.012 7.899 809 H GLY 109 HN GLY 109 -1.412 -22.033 10.143 810 HA2 GLY 109 1HA GLY 109 -2.749 -24.105 9.075 811 HA3 GLY 109 2HA GLY 109 -1.881 -24.881 10.385 Start of MODEL 11 1 H SER 0 HN SER 0 5.056 2.059 -4.246 2 HA SER 0 HA SER 0 4.991 2.457 -1.357 3 HB2 SER 0 2HB SER 0 3.026 3.084 -3.544 4 HB3 SER 0 3HB SER 0 2.370 2.583 -1.998 5 HG SER 0 HG SER 0 4.423 4.522 -1.862 6 H MET 1 HN MET 1 5.980 0.032 -2.218 7 HA MET 1 HA MET 1 3.771 -1.711 -1.533 8 HB2 MET 1 2HB MET 1 5.738 -2.181 -3.844 9 HB3 MET 1 3HB MET 1 4.537 -3.340 -3.310 10 HG2 MET 1 2HG MET 1 2.748 -1.558 -3.788 11 HG3 MET 1 3HG MET 1 4.007 -0.591 -4.529 12 HE1 MET 1 1HE MET 1 1.700 -2.360 -7.322 13 HE2 MET 1 2HE MET 1 1.159 -2.555 -5.637 14 HE3 MET 1 3HE MET 1 1.779 -0.983 -6.197 15 H ALA 2 HN ALA 2 4.388 -2.790 0.286 16 HA ALA 2 HA ALA 2 7.186 -2.976 0.926 17 HB1 ALA 2 1HB ALA 2 5.042 -2.545 2.443 18 HB2 ALA 2 2HB ALA 2 5.014 -4.324 2.505 19 HB3 ALA 2 3HB ALA 2 6.449 -3.436 3.071 20 H PHE 3 HN PHE 3 4.464 -5.381 0.660 21 HA PHE 3 HA PHE 3 6.039 -7.625 0.713 22 HB2 PHE 3 2HB PHE 3 3.360 -6.760 -0.409 23 HB3 PHE 3 3HB PHE 3 3.950 -8.322 -0.941 24 HD1 PHE 3 HD1 PHE 3 1.960 -6.762 1.413 25 HD2 PHE 3 HD2 PHE 3 4.896 -9.811 1.115 26 HE1 PHE 3 HE1 PHE 3 1.087 -7.809 3.521 27 HE2 PHE 3 HE2 PHE 3 4.023 -10.859 3.222 28 HZ PHE 3 HZ PHE 3 2.128 -9.845 4.400 29 H ALA 4 HN ALA 4 5.770 -5.206 -1.781 30 HA ALA 4 HA ALA 4 6.152 -6.651 -4.081 31 HB1 ALA 4 1HB ALA 4 5.882 -4.446 -4.580 32 HB2 ALA 4 2HB ALA 4 6.705 -3.905 -3.098 33 HB3 ALA 4 3HB ALA 4 7.660 -4.413 -4.512 34 H SER 5 HN SER 5 8.273 -6.228 -1.325 35 HA SER 5 HA SER 5 10.498 -7.217 -2.913 36 HB2 SER 5 2HB SER 5 10.325 -5.827 -0.218 37 HB3 SER 5 3HB SER 5 11.782 -6.669 -0.707 38 HG SER 5 HG SER 5 11.316 -5.231 -2.813 39 H VAL 6 HN VAL 6 8.403 -7.856 -0.068 40 HA VAL 6 HA VAL 6 9.803 -10.108 0.857 41 HB VAL 6 HB VAL 6 6.876 -9.395 1.128 42 HG11 VAL 6 1HG1 VAL 6 7.639 -11.749 1.765 43 HG12 VAL 6 2HG1 VAL 6 8.577 -10.979 3.066 44 HG13 VAL 6 3HG1 VAL 6 6.806 -10.808 3.025 45 HG21 VAL 6 1HG2 VAL 6 7.966 -8.598 3.462 46 HG22 VAL 6 2HG2 VAL 6 9.339 -8.283 2.372 47 HG23 VAL 6 3HG2 VAL 6 7.761 -7.520 2.060 48 H LEU 7 HN LEU 7 6.683 -9.907 -1.007 49 HA LEU 7 HA LEU 7 7.397 -12.526 -2.133 50 HB2 LEU 7 2HB LEU 7 4.674 -11.370 -1.520 51 HB3 LEU 7 3HB LEU 7 4.954 -12.869 -2.384 52 HG LEU 7 HG LEU 7 6.134 -12.524 0.354 53 HD11 LEU 7 1HD1 LEU 7 3.320 -13.545 0.003 54 HD12 LEU 7 2HD1 LEU 7 4.170 -13.067 1.493 55 HD13 LEU 7 3HD1 LEU 7 3.659 -11.827 0.323 56 HD21 LEU 7 1HD2 LEU 7 5.132 -14.880 -1.262 57 HD22 LEU 7 2HD2 LEU 7 6.813 -14.486 -0.827 58 HD23 LEU 7 3HD2 LEU 7 5.661 -14.983 0.435 59 H LYS 8 HN LYS 8 5.976 -12.803 -4.318 60 HA LYS 8 HA LYS 8 6.995 -10.727 -6.016 61 HB2 LYS 8 2HB LYS 8 5.326 -13.133 -6.787 62 HB3 LYS 8 3HB LYS 8 6.365 -12.176 -7.823 63 HG2 LYS 8 2HG LYS 8 7.293 -13.869 -5.454 64 HG3 LYS 8 3HG LYS 8 7.473 -14.296 -7.144 65 HD2 LYS 8 2HD LYS 8 8.791 -11.965 -5.684 66 HD3 LYS 8 3HD LYS 8 9.587 -13.364 -6.378 67 HE2 LYS 8 2HE LYS 8 8.767 -12.634 -8.666 68 HE3 LYS 8 3HE LYS 8 8.107 -11.187 -7.931 69 HZ1 LYS 8 1HZ LYS 8 10.961 -11.956 -8.094 70 HZ2 LYS 8 2HZ LYS 8 10.260 -10.610 -8.684 71 H ASP 9 HN ASP 9 5.946 -8.865 -6.426 72 HA ASP 9 HA ASP 9 3.395 -8.386 -5.531 73 HB2 ASP 9 2HB ASP 9 5.224 -6.712 -6.196 74 HB3 ASP 9 3HB ASP 9 4.775 -6.989 -7.867 75 HD2 ASP 9 HD2 ASP 9 4.063 -4.829 -8.106 76 H ALA 10 HN ALA 10 4.553 -10.143 -8.284 77 HA ALA 10 HA ALA 10 2.282 -9.600 -9.971 78 HB1 ALA 10 1HB ALA 10 4.680 -11.460 -10.124 79 HB2 ALA 10 2HB ALA 10 3.398 -11.427 -11.359 80 HB3 ALA 10 3HB ALA 10 4.382 -9.975 -11.059 81 H GLU 11 HN GLU 11 3.255 -11.855 -7.438 82 HA GLU 11 HA GLU 11 1.215 -13.727 -8.193 83 HB2 GLU 11 2HB GLU 11 3.263 -13.627 -5.949 84 HB3 GLU 11 3HB GLU 11 2.018 -14.859 -6.000 85 HG2 GLU 11 2HG GLU 11 3.680 -14.376 -8.480 86 HG3 GLU 11 3HG GLU 11 4.396 -15.264 -7.150 87 HE2 GLU 11 HE2 GLU 11 4.014 -16.850 -9.271 88 H VAL 12 HN VAL 12 2.018 -11.950 -5.113 89 HA VAL 12 HA VAL 12 -0.321 -12.339 -3.808 90 HB VAL 12 HB VAL 12 0.240 -10.444 -2.499 91 HG11 VAL 12 1HG1 VAL 12 2.978 -11.227 -3.441 92 HG12 VAL 12 2HG1 VAL 12 2.342 -11.064 -1.786 93 HG13 VAL 12 3HG1 VAL 12 1.902 -12.478 -2.774 94 HG21 VAL 12 1HG2 VAL 12 1.830 -9.497 -4.900 95 HG22 VAL 12 2HG2 VAL 12 0.435 -8.706 -4.127 96 HG23 VAL 12 3HG2 VAL 12 1.993 -8.797 -3.272 97 H THR 13 HN THR 13 0.368 -10.062 -6.484 98 HA THR 13 HA THR 13 -1.881 -8.467 -6.311 99 HB THR 13 HB THR 13 0.019 -9.398 -8.468 100 HG1 THR 13 HG1 THR 13 -1.027 -6.897 -7.338 101 HG21 THR 13 1HG2 THR 13 -2.625 -7.941 -8.889 102 HG22 THR 13 2HG2 THR 13 -1.217 -7.601 -9.923 103 HG23 THR 13 3HG2 THR 13 -1.913 -9.238 -9.878 104 H ALA 14 HN ALA 14 -1.517 -11.488 -8.295 105 HA ALA 14 HA ALA 14 -4.176 -11.556 -9.093 106 HB1 ALA 14 1HB ALA 14 -3.224 -14.216 -8.894 107 HB2 ALA 14 2HB ALA 14 -3.196 -13.158 -10.326 108 HB3 ALA 14 3HB ALA 14 -1.797 -13.206 -9.227 109 H ALA 15 HN ALA 15 -2.578 -12.474 -6.062 110 HA ALA 15 HA ALA 15 -4.811 -14.018 -5.136 111 HB1 ALA 15 1HB ALA 15 -2.455 -14.471 -4.477 112 HB2 ALA 15 2HB ALA 15 -2.394 -12.889 -3.665 113 HB3 ALA 15 3HB ALA 15 -3.497 -14.153 -3.070 114 H LEU 16 HN LEU 16 -3.981 -10.660 -5.403 115 HA LEU 16 HA LEU 16 -5.559 -9.854 -3.133 116 HB2 LEU 16 2HB LEU 16 -3.813 -8.563 -5.150 117 HB3 LEU 16 3HB LEU 16 -5.108 -7.579 -4.498 118 HG LEU 16 HG LEU 16 -3.337 -9.072 -2.594 119 HD11 LEU 16 1HD1 LEU 16 -1.469 -8.004 -3.123 120 HD12 LEU 16 2HD1 LEU 16 -2.285 -7.317 -4.548 121 HD13 LEU 16 3HD1 LEU 16 -2.294 -6.431 -3.005 122 HD21 LEU 16 1HD2 LEU 16 -5.472 -7.343 -2.296 123 HD22 LEU 16 2HD2 LEU 16 -4.282 -7.776 -1.044 124 HD23 LEU 16 3HD2 LEU 16 -4.057 -6.300 -2.014 125 H ASP 17 HN ASP 17 -5.883 -10.198 -6.678 126 HA ASP 17 HA ASP 17 -8.353 -8.828 -6.735 127 HB2 ASP 17 2HB ASP 17 -6.617 -9.303 -8.654 128 HB3 ASP 17 3HB ASP 17 -7.409 -10.860 -8.790 129 HD2 ASP 17 HD2 ASP 17 -8.078 -7.555 -10.144 130 H GLY 18 HN GLY 18 -7.259 -11.969 -5.769 131 HA2 GLY 18 1HA GLY 18 -9.496 -13.544 -6.553 132 HA3 GLY 18 2HA GLY 18 -8.271 -13.945 -5.366 133 H CYS 19 HN CYS 19 -9.201 -10.972 -4.320 134 HA CYS 19 HA CYS 19 -11.581 -11.944 -2.940 135 HB2 CYS 19 2HB CYS 19 -10.575 -10.718 -0.859 136 HB3 CYS 19 3HB CYS 19 -10.106 -12.369 -1.215 137 HG CYS 19 HG CYS 19 -8.566 -9.623 -2.253 138 H LYS 20 HN LYS 20 -11.091 -10.150 -5.270 139 HA LYS 20 HA LYS 20 -11.134 -7.466 -4.451 140 HB2 LYS 20 2HB LYS 20 -11.756 -6.996 -6.744 141 HB3 LYS 20 3HB LYS 20 -10.497 -8.213 -6.704 142 HG2 LYS 20 2HG LYS 20 -12.364 -9.983 -6.845 143 HG3 LYS 20 3HG LYS 20 -13.478 -8.668 -7.163 144 HD2 LYS 20 2HD LYS 20 -12.335 -8.060 -9.208 145 HD3 LYS 20 3HD LYS 20 -10.952 -9.064 -8.820 146 HE2 LYS 20 2HE LYS 20 -12.155 -10.371 -10.394 147 HE3 LYS 20 3HE LYS 20 -12.611 -11.073 -8.854 148 HZ1 LYS 20 1HZ LYS 20 -14.664 -9.819 -8.905 149 HZ2 LYS 20 2HZ LYS 20 -14.225 -9.002 -10.244 150 H ALA 21 HN ALA 21 -13.743 -9.851 -5.215 151 HA ALA 21 HA ALA 21 -15.819 -7.977 -4.741 152 HB1 ALA 21 1HB ALA 21 -17.260 -9.960 -4.911 153 HB2 ALA 21 2HB ALA 21 -16.028 -9.977 -6.196 154 HB3 ALA 21 3HB ALA 21 -15.839 -11.023 -4.769 155 H ALA 22 HN ALA 22 -16.972 -7.525 -2.876 156 HA ALA 22 HA ALA 22 -15.688 -8.110 -0.423 157 HB1 ALA 22 1HB ALA 22 -17.110 -6.059 -1.161 158 HB2 ALA 22 2HB ALA 22 -18.512 -7.066 -0.727 159 HB3 ALA 22 3HB ALA 22 -17.294 -6.659 0.505 160 H GLY 23 HN GLY 23 -16.721 -9.216 1.449 161 HA2 GLY 23 1HA GLY 23 -17.580 -11.075 2.373 162 HA3 GLY 23 2HA GLY 23 -18.956 -10.831 1.317 163 H SER 24 HN SER 24 -15.797 -11.242 -0.191 164 HA SER 24 HA SER 24 -16.433 -14.041 -0.665 165 HB2 SER 24 2HB SER 24 -16.300 -13.858 -2.974 166 HB3 SER 24 3HB SER 24 -16.999 -12.298 -2.589 167 HG SER 24 HG SER 24 -14.520 -11.692 -2.421 168 H PHE 25 HN PHE 25 -14.447 -12.173 0.948 169 HA PHE 25 HA PHE 25 -11.931 -13.057 -0.195 170 HB2 PHE 25 2HB PHE 25 -11.915 -10.794 0.623 171 HB3 PHE 25 3HB PHE 25 -12.949 -11.185 1.983 172 HD1 PHE 25 HD1 PHE 25 -11.863 -10.771 3.965 173 HD2 PHE 25 HD2 PHE 25 -9.672 -12.539 0.790 174 HE1 PHE 25 HE1 PHE 25 -9.846 -10.940 5.451 175 HE2 PHE 25 HE2 PHE 25 -7.656 -12.708 2.275 176 HZ PHE 25 HZ PHE 25 -7.767 -11.907 4.588 177 H ASP 26 HN ASP 26 -10.594 -14.622 0.692 178 HA ASP 26 HA ASP 26 -11.502 -15.764 3.207 179 HB2 ASP 26 2HB ASP 26 -10.891 -17.162 0.586 180 HB3 ASP 26 3HB ASP 26 -10.630 -18.011 2.097 181 HD2 ASP 26 HD2 ASP 26 -13.842 -19.075 1.991 182 H HIS 27 HN HIS 27 -9.717 -14.808 4.353 183 HA HIS 27 HA HIS 27 -7.215 -14.367 3.552 184 HB2 HIS 27 2HB HIS 27 -6.525 -14.702 5.918 185 HB3 HIS 27 3HB HIS 27 -7.948 -13.700 5.718 186 HD1 HIS 27 HD1 HIS 27 -6.752 -16.833 7.307 187 HD2 HIS 27 HD2 HIS 27 -10.431 -14.989 6.494 188 HE1 HIS 27 HE1 HIS 27 -8.486 -18.031 8.746 189 H LYS 28 HN LYS 28 -8.239 -17.479 5.140 190 HA LYS 28 HA LYS 28 -5.965 -18.881 4.943 191 HB2 LYS 28 2HB LYS 28 -7.258 -20.824 5.124 192 HB3 LYS 28 3HB LYS 28 -8.247 -19.574 5.851 193 HG2 LYS 28 2HG LYS 28 -9.512 -19.322 3.708 194 HG3 LYS 28 3HG LYS 28 -8.516 -20.562 2.972 195 HD2 LYS 28 2HD LYS 28 -10.515 -21.685 3.670 196 HD3 LYS 28 3HD LYS 28 -9.291 -22.149 4.836 197 HE2 LYS 28 2HE LYS 28 -10.949 -19.696 5.428 198 HE3 LYS 28 3HE LYS 28 -11.708 -21.264 5.613 199 HZ1 LYS 28 1HZ LYS 28 -10.371 -20.237 7.586 200 HZ2 LYS 28 2HZ LYS 28 -10.252 -21.838 7.311 201 H LYS 29 HN LYS 29 -8.317 -18.269 2.273 202 HA LYS 29 HA LYS 29 -6.915 -19.835 0.396 203 HB2 LYS 29 2HB LYS 29 -8.915 -17.585 0.028 204 HB3 LYS 29 3HB LYS 29 -8.352 -18.643 -1.250 205 HG2 LYS 29 2HG LYS 29 -9.581 -19.753 1.305 206 HG3 LYS 29 3HG LYS 29 -10.577 -19.274 -0.055 207 HD2 LYS 29 2HD LYS 29 -8.880 -20.804 -1.442 208 HD3 LYS 29 3HD LYS 29 -8.568 -21.527 0.123 209 HE2 LYS 29 2HE LYS 29 -10.343 -22.825 -0.838 210 HE3 LYS 29 3HE LYS 29 -11.107 -21.824 0.380 211 HZ1 LYS 29 1HZ LYS 29 -10.984 -21.028 -2.476 212 HZ2 LYS 29 2HZ LYS 29 -12.247 -21.838 -1.843 213 H PHE 30 HN PHE 30 -7.133 -16.229 0.825 214 HA PHE 30 HA PHE 30 -5.446 -15.375 -1.034 215 HB2 PHE 30 2HB PHE 30 -6.635 -14.119 0.885 216 HB3 PHE 30 3HB PHE 30 -5.339 -14.626 1.949 217 HD1 PHE 30 HD1 PHE 30 -2.959 -13.874 1.357 218 HD2 PHE 30 HD2 PHE 30 -6.430 -12.163 -0.383 219 HE1 PHE 30 HE1 PHE 30 -1.633 -11.844 0.709 220 HE2 PHE 30 HE2 PHE 30 -5.104 -10.133 -1.031 221 HZ PHE 30 HZ PHE 30 -2.721 -9.997 -0.477 222 H PHE 31 HN PHE 31 -4.291 -16.329 2.287 223 HA PHE 31 HA PHE 31 -1.622 -16.084 1.832 224 HB2 PHE 31 2HB PHE 31 -3.278 -18.148 3.398 225 HB3 PHE 31 3HB PHE 31 -1.546 -17.990 3.609 226 HD1 PHE 31 HD1 PHE 31 -4.099 -17.496 5.489 227 HD2 PHE 31 HD2 PHE 31 -1.296 -15.006 3.501 228 HE1 PHE 31 HE1 PHE 31 -4.471 -15.705 7.207 229 HE2 PHE 31 HE2 PHE 31 -1.668 -13.215 5.220 230 HZ PHE 31 HZ PHE 31 -3.251 -13.586 7.052 231 H LYS 32 HN LYS 32 -3.793 -18.826 0.977 232 HA LYS 32 HA LYS 32 -1.612 -20.460 0.113 233 HB2 LYS 32 2HB LYS 32 -4.575 -20.674 0.283 234 HB3 LYS 32 3HB LYS 32 -3.792 -21.651 -0.942 235 HG2 LYS 32 2HG LYS 32 -2.838 -21.591 1.954 236 HG3 LYS 32 3HG LYS 32 -4.049 -22.724 1.388 237 HD2 LYS 32 2HD LYS 32 -1.284 -22.449 0.121 238 HD3 LYS 32 3HD LYS 32 -1.655 -23.610 1.381 239 HE2 LYS 32 2HE LYS 32 -3.668 -24.261 -0.276 240 HE3 LYS 32 3HE LYS 32 -2.619 -23.541 -1.480 241 HZ1 LYS 32 1HZ LYS 32 -2.296 -26.033 -0.091 242 HZ2 LYS 32 2HZ LYS 32 -1.603 -25.542 -1.481 243 H ALA 33 HN ALA 33 -3.553 -17.872 -1.219 244 HA ALA 33 HA ALA 33 -3.073 -18.639 -3.950 245 HB1 ALA 33 1HB ALA 33 -4.980 -17.423 -4.009 246 HB2 ALA 33 2HB ALA 33 -4.635 -16.642 -2.447 247 HB3 ALA 33 3HB ALA 33 -3.913 -16.000 -3.941 248 H CYS 34 HN CYS 34 -1.548 -16.707 -1.405 249 HA CYS 34 HA CYS 34 0.222 -15.484 -3.356 250 HB2 CYS 34 2HB CYS 34 0.371 -15.030 -0.380 251 HB3 CYS 34 3HB CYS 34 0.871 -13.972 -1.684 252 HG CYS 34 HG CYS 34 -1.116 -12.701 -1.755 253 H GLY 35 HN GLY 35 -0.058 -18.113 -1.037 254 HA2 GLY 35 1HA GLY 35 1.402 -19.947 -1.101 255 HA3 GLY 35 2HA GLY 35 2.706 -18.907 -1.641 256 H LEU 36 HN LEU 36 1.493 -16.890 0.547 257 HA LEU 36 HA LEU 36 3.437 -17.127 2.406 258 HB2 LEU 36 2HB LEU 36 0.731 -15.925 2.330 259 HB3 LEU 36 3HB LEU 36 1.447 -16.119 3.918 260 HG LEU 36 HG LEU 36 3.005 -14.799 1.706 261 HD11 LEU 36 1HD1 LEU 36 0.554 -13.796 2.929 262 HD12 LEU 36 2HD1 LEU 36 1.941 -12.709 3.177 263 HD13 LEU 36 3HD1 LEU 36 1.472 -13.192 1.529 264 HD21 LEU 36 1HD2 LEU 36 3.450 -13.562 4.182 265 HD22 LEU 36 2HD2 LEU 36 3.373 -15.307 4.528 266 HD23 LEU 36 3HD2 LEU 36 4.525 -14.689 3.319 267 H SER 37 HN SER 37 0.563 -19.134 2.015 268 HA SER 37 HA SER 37 0.466 -20.132 4.602 269 HB2 SER 37 2HB SER 37 -0.615 -20.877 1.929 270 HB3 SER 37 3HB SER 37 -0.476 -22.212 3.057 271 HG SER 37 HG SER 37 -1.957 -21.309 4.407 272 H GLY 38 HN GLY 38 2.183 -21.228 1.611 273 HA2 GLY 38 1HA GLY 38 3.454 -23.409 3.077 274 HA3 GLY 38 2HA GLY 38 3.534 -23.088 1.356 275 H LYS 39 HN LYS 39 3.934 -20.174 3.121 276 HA LYS 39 HA LYS 39 6.699 -20.072 2.380 277 HB2 LYS 39 2HB LYS 39 4.717 -18.140 3.567 278 HB3 LYS 39 3HB LYS 39 6.428 -17.762 3.563 279 HG2 LYS 39 2HG LYS 39 4.720 -18.425 1.119 280 HG3 LYS 39 3HG LYS 39 5.361 -16.849 1.538 281 HD2 LYS 39 2HD LYS 39 7.691 -18.250 1.534 282 HD3 LYS 39 3HD LYS 39 6.784 -19.244 0.412 283 HE2 LYS 39 2HE LYS 39 6.159 -16.857 -0.663 284 HE3 LYS 39 3HE LYS 39 7.641 -16.364 0.133 285 HZ1 LYS 39 1HZ LYS 39 7.366 -17.907 -2.223 286 HZ2 LYS 39 2HZ LYS 39 8.730 -17.297 -1.577 287 H SER 40 HN SER 40 8.114 -18.841 4.271 288 HA SER 40 HA SER 40 8.110 -20.829 6.374 289 HB2 SER 40 2HB SER 40 10.221 -18.762 5.612 290 HB3 SER 40 3HB SER 40 10.419 -20.008 6.828 291 HG SER 40 HG SER 40 11.344 -20.596 4.743 292 H THR 41 HN THR 41 7.877 -20.290 8.578 293 HA THR 41 HA THR 41 6.352 -18.114 9.267 294 HB THR 41 HB THR 41 7.304 -20.396 10.486 295 HG1 THR 41 HG1 THR 41 6.333 -17.883 11.658 296 HG21 THR 41 1HG2 THR 41 8.606 -17.969 11.831 297 HG22 THR 41 2HG2 THR 41 8.417 -19.567 12.592 298 HG23 THR 41 3HG2 THR 41 9.463 -19.380 11.164 299 H ASP 42 HN ASP 42 9.816 -18.266 8.666 300 HA ASP 42 HA ASP 42 10.645 -16.145 10.163 301 HB2 ASP 42 2HB ASP 42 11.923 -17.797 8.553 302 HB3 ASP 42 3HB ASP 42 11.612 -16.593 7.318 303 HD2 ASP 42 HD2 ASP 42 13.772 -17.238 9.975 304 H GLU 43 HN GLU 43 9.810 -16.140 6.604 305 HA GLU 43 HA GLU 43 9.781 -13.383 6.393 306 HB2 GLU 43 2HB GLU 43 9.056 -13.732 4.185 307 HB3 GLU 43 3HB GLU 43 9.869 -15.238 4.559 308 HG2 GLU 43 2HG GLU 43 7.687 -16.297 5.126 309 HG3 GLU 43 3HG GLU 43 6.857 -14.785 4.812 310 HE2 GLU 43 HE2 GLU 43 8.855 -17.141 3.340 311 H VAL 44 HN VAL 44 7.250 -15.762 7.265 312 HA VAL 44 HA VAL 44 4.977 -14.329 6.950 313 HB VAL 44 HB VAL 44 5.841 -16.172 9.180 314 HG11 VAL 44 1HG1 VAL 44 4.038 -15.093 10.186 315 HG12 VAL 44 2HG1 VAL 44 3.179 -14.867 8.644 316 HG13 VAL 44 3HG1 VAL 44 3.262 -16.482 9.388 317 HG21 VAL 44 1HG2 VAL 44 3.989 -16.753 6.857 318 HG22 VAL 44 2HG2 VAL 44 5.751 -16.991 6.766 319 HG23 VAL 44 3HG2 VAL 44 4.790 -17.905 7.952 320 H LYS 45 HN LYS 45 7.403 -14.050 9.608 321 HA LYS 45 HA LYS 45 5.907 -12.123 11.036 322 HB2 LYS 45 2HB LYS 45 8.865 -12.789 11.133 323 HB3 LYS 45 3HB LYS 45 7.996 -11.827 12.312 324 HG2 LYS 45 2HG LYS 45 6.820 -13.665 13.167 325 HG3 LYS 45 3HG LYS 45 6.894 -14.556 11.659 326 HD2 LYS 45 2HD LYS 45 9.300 -15.013 11.998 327 HD3 LYS 45 3HD LYS 45 9.317 -14.020 13.442 328 HE2 LYS 45 2HE LYS 45 7.406 -16.373 13.226 329 HE3 LYS 45 3HE LYS 45 9.075 -16.631 13.691 330 HZ1 LYS 45 1HZ LYS 45 7.890 -16.271 15.692 331 HZ2 LYS 45 2HZ LYS 45 8.653 -14.854 15.445 332 H LYS 46 HN LYS 46 8.353 -12.014 8.425 333 HA LYS 46 HA LYS 46 8.707 -9.201 8.602 334 HB2 LYS 46 2HB LYS 46 9.300 -10.887 6.173 335 HB3 LYS 46 3HB LYS 46 10.114 -9.440 6.731 336 HG2 LYS 46 2HG LYS 46 10.221 -12.227 7.947 337 HG3 LYS 46 3HG LYS 46 11.552 -11.278 7.315 338 HD2 LYS 46 2HD LYS 46 9.945 -10.711 9.847 339 HD3 LYS 46 3HD LYS 46 11.624 -11.205 9.759 340 HE2 LYS 46 2HE LYS 46 12.285 -9.094 8.743 341 HE3 LYS 46 3HE LYS 46 10.617 -8.623 8.485 342 HZ1 LYS 46 1HZ LYS 46 12.182 -8.321 10.841 343 HZ2 LYS 46 2HZ LYS 46 10.734 -7.659 10.498 344 H ALA 47 HN ALA 47 6.250 -11.308 7.321 345 HA ALA 47 HA ALA 47 5.321 -9.360 5.399 346 HB1 ALA 47 1HB ALA 47 4.422 -12.110 6.310 347 HB2 ALA 47 2HB ALA 47 3.447 -11.116 5.201 348 HB3 ALA 47 3HB ALA 47 5.086 -11.627 4.731 349 H PHE 48 HN PHE 48 4.639 -10.499 8.716 350 HA PHE 48 HA PHE 48 2.126 -9.309 8.979 351 HB2 PHE 48 2HB PHE 48 2.888 -10.938 10.603 352 HB3 PHE 48 3HB PHE 48 4.441 -10.147 10.787 353 HD1 PHE 48 HD1 PHE 48 4.440 -7.819 11.909 354 HD2 PHE 48 HD2 PHE 48 1.179 -10.526 12.136 355 HE1 PHE 48 HE1 PHE 48 3.591 -6.626 13.948 356 HE2 PHE 48 HE2 PHE 48 0.331 -9.333 14.174 357 HZ PHE 48 HZ PHE 48 1.547 -7.397 15.056 358 H ALA 49 HN ALA 49 5.349 -7.954 8.835 359 HA ALA 49 HA ALA 49 4.587 -5.553 10.258 360 HB1 ALA 49 1HB ALA 49 6.819 -6.240 10.640 361 HB2 ALA 49 2HB ALA 49 7.100 -6.586 8.916 362 HB3 ALA 49 3HB ALA 49 6.966 -4.902 9.476 363 H ILE 50 HN ILE 50 4.059 -6.872 7.187 364 HA ILE 50 HA ILE 50 4.472 -4.495 5.659 365 HB ILE 50 HB ILE 50 2.977 -7.046 5.041 366 HG12 ILE 50 2HG1 ILE 50 5.471 -7.186 5.601 367 HG13 ILE 50 3HG1 ILE 50 4.932 -7.898 4.093 368 HG21 ILE 50 1HG2 ILE 50 2.176 -5.881 3.309 369 HG22 ILE 50 2HG2 ILE 50 3.319 -4.540 3.557 370 HG23 ILE 50 3HG2 ILE 50 3.827 -5.986 2.652 371 HD11 ILE 50 1HD1 ILE 50 7.054 -6.369 4.059 372 HD12 ILE 50 2HD1 ILE 50 5.836 -6.146 2.780 373 HD13 ILE 50 3HD1 ILE 50 5.895 -5.022 4.158 374 H ILE 51 HN ILE 51 1.596 -6.257 6.993 375 HA ILE 51 HA ILE 51 -0.243 -4.330 6.094 376 HB ILE 51 HB ILE 51 -0.655 -6.130 8.462 377 HG12 ILE 51 2HG1 ILE 51 -1.465 -7.599 6.256 378 HG13 ILE 51 3HG1 ILE 51 0.063 -6.921 5.730 379 HG21 ILE 51 1HG2 ILE 51 -2.319 -4.363 7.198 380 HG22 ILE 51 2HG2 ILE 51 -2.706 -5.890 6.370 381 HG23 ILE 51 3HG2 ILE 51 -2.843 -5.779 8.141 382 HD11 ILE 51 1HD1 ILE 51 -0.499 -8.829 7.982 383 HD12 ILE 51 2HD1 ILE 51 0.854 -8.805 6.825 384 HD13 ILE 51 3HD1 ILE 51 0.837 -7.672 8.199 385 H ASP 52 HN ASP 52 0.956 -5.005 9.463 386 HA ASP 52 HA ASP 52 -0.099 -2.623 10.439 387 HB2 ASP 52 2HB ASP 52 0.748 -4.812 11.651 388 HB3 ASP 52 3HB ASP 52 2.313 -4.024 11.640 389 HD2 ASP 52 HD2 ASP 52 2.361 -3.376 14.039 390 H GLN 53 HN GLN 53 0.655 -0.803 9.198 391 HA GLN 53 HA GLN 53 3.459 -0.544 8.721 392 HB2 GLN 53 2HB GLN 53 1.208 1.447 8.199 393 HB3 GLN 53 3HB GLN 53 2.828 1.527 7.537 394 HG2 GLN 53 2HG GLN 53 2.424 -0.118 5.973 395 HG3 GLN 53 3HG GLN 53 1.432 -1.064 7.066 396 HE21 GLN 53 1HE2 GLN 53 -0.717 -0.921 7.004 397 HE22 GLN 53 2HE2 GLN 53 -1.635 0.132 5.979 398 H ASP 54 HN ASP 54 1.159 0.417 11.058 399 HA ASP 54 HA ASP 54 2.480 2.758 12.127 400 HB2 ASP 54 2HB ASP 54 0.952 2.201 14.080 401 HB3 ASP 54 3HB ASP 54 0.135 2.329 12.524 402 H LYS 55 HN LYS 55 2.592 -0.809 12.937 403 HA LYS 55 HA LYS 55 4.153 -1.969 13.999 404 HB2 LYS 55 2HB LYS 55 5.875 0.488 14.321 405 HB3 LYS 55 3HB LYS 55 6.368 -1.191 14.234 406 HG2 LYS 55 2HG LYS 55 5.164 0.458 11.962 407 HG3 LYS 55 3HG LYS 55 6.831 -0.067 12.090 408 HD2 LYS 55 2HD LYS 55 4.507 -2.040 12.036 409 HD3 LYS 55 3HD LYS 55 5.285 -1.475 10.571 410 HE2 LYS 55 2HE LYS 55 6.503 -3.433 11.017 411 HE3 LYS 55 3HE LYS 55 7.526 -2.215 11.752 412 HZ1 LYS 55 1HZ LYS 55 5.623 -4.007 13.147 413 HZ2 LYS 55 2HZ LYS 55 7.235 -3.918 13.363 414 H SER 56 HN SER 56 1.950 -1.309 15.382 415 HA SER 56 HA SER 56 2.651 0.088 17.761 416 HB2 SER 56 2HB SER 56 0.172 -1.622 17.379 417 HB3 SER 56 3HB SER 56 0.366 -0.209 18.399 418 HG SER 56 HG SER 56 0.910 0.782 16.061 419 H GLY 57 HN GLY 57 2.488 -3.261 16.589 420 HA2 GLY 57 1HA GLY 57 4.095 -4.651 17.971 421 HA3 GLY 57 2HA GLY 57 3.044 -4.253 19.315 422 H PHE 58 HN PHE 58 0.523 -4.278 17.762 423 HA PHE 58 HA PHE 58 0.412 -7.077 16.926 424 HB2 PHE 58 2HB PHE 58 -1.412 -5.558 18.886 425 HB3 PHE 58 3HB PHE 58 -1.771 -7.163 18.281 426 HD1 PHE 58 HD1 PHE 58 -0.876 -5.694 21.121 427 HD2 PHE 58 HD2 PHE 58 0.699 -8.615 18.477 428 HE1 PHE 58 HE1 PHE 58 0.434 -6.700 23.012 429 HE2 PHE 58 HE2 PHE 58 2.008 -9.621 20.367 430 HZ PHE 58 HZ PHE 58 1.860 -8.651 22.612 431 H ILE 59 HN ILE 59 -1.093 -7.516 15.282 432 HA ILE 59 HA ILE 59 -1.907 -5.249 13.773 433 HB ILE 59 HB ILE 59 -2.020 -8.212 13.497 434 HG12 ILE 59 2HG1 ILE 59 -0.989 -5.935 11.783 435 HG13 ILE 59 3HG1 ILE 59 -0.034 -7.037 12.754 436 HG21 ILE 59 1HG2 ILE 59 -3.996 -6.345 12.343 437 HG22 ILE 59 2HG2 ILE 59 -3.224 -7.456 11.186 438 HG23 ILE 59 3HG2 ILE 59 -4.082 -8.103 12.606 439 HD11 ILE 59 1HD1 ILE 59 -1.082 -7.405 10.059 440 HD12 ILE 59 2HD1 ILE 59 0.100 -8.396 10.948 441 HD13 ILE 59 3HD1 ILE 59 -1.642 -8.713 11.128 442 H GLU 60 HN GLU 60 -3.231 -4.099 15.345 443 HA GLU 60 HA GLU 60 -5.371 -5.169 16.640 444 HB2 GLU 60 2HB GLU 60 -4.915 -2.375 15.521 445 HB3 GLU 60 3HB GLU 60 -6.291 -2.765 16.534 446 HG2 GLU 60 2HG GLU 60 -4.982 -3.096 18.443 447 HG3 GLU 60 3HG GLU 60 -3.576 -3.604 17.528 448 HE2 GLU 60 HE2 GLU 60 -2.010 -1.669 18.102 449 H GLU 61 HN GLU 61 -7.717 -5.075 16.210 450 HA GLU 61 HA GLU 61 -8.466 -6.262 13.939 451 HB2 GLU 61 2HB GLU 61 -9.912 -6.010 15.923 452 HB3 GLU 61 3HB GLU 61 -10.097 -4.297 15.607 453 HG2 GLU 61 2HG GLU 61 -12.059 -5.206 14.662 454 HG3 GLU 61 3HG GLU 61 -11.016 -5.020 13.267 455 HE2 GLU 61 HE2 GLU 61 -9.933 -7.446 12.630 456 H GLU 62 HN GLU 62 -7.679 -2.859 14.391 457 HA GLU 62 HA GLU 62 -9.092 -1.824 12.245 458 HB2 GLU 62 2HB GLU 62 -6.497 -0.926 13.568 459 HB3 GLU 62 3HB GLU 62 -7.344 0.031 12.368 460 HG2 GLU 62 2HG GLU 62 -9.443 -0.391 13.980 461 HG3 GLU 62 3HG GLU 62 -8.197 -0.675 15.180 462 HE2 GLU 62 HE2 GLU 62 -7.434 2.516 15.640 463 H GLU 63 HN GLU 63 -5.652 -2.968 12.494 464 HA GLU 63 HA GLU 63 -5.160 -2.538 9.769 465 HB2 GLU 63 2HB GLU 63 -3.737 -4.161 11.913 466 HB3 GLU 63 3HB GLU 63 -3.132 -4.061 10.271 467 HG2 GLU 63 2HG GLU 63 -2.011 -2.226 11.086 468 HG3 GLU 63 3HG GLU 63 -3.520 -1.407 10.735 469 H LEU 64 HN LEU 64 -6.660 -5.128 11.623 470 HA LEU 64 HA LEU 64 -6.196 -7.281 9.948 471 HB2 LEU 64 2HB LEU 64 -8.239 -6.525 11.971 472 HB3 LEU 64 3HB LEU 64 -8.626 -7.857 10.899 473 HG LEU 64 HG LEU 64 -6.322 -7.654 12.845 474 HD11 LEU 64 1HD1 LEU 64 -8.874 -9.203 12.698 475 HD12 LEU 64 2HD1 LEU 64 -7.456 -9.960 13.461 476 HD13 LEU 64 3HD1 LEU 64 -8.085 -8.416 14.086 477 HD21 LEU 64 1HD2 LEU 64 -5.836 -10.048 11.999 478 HD22 LEU 64 2HD2 LEU 64 -6.711 -9.543 10.534 479 HD23 LEU 64 3HD2 LEU 64 -5.250 -8.664 11.045 480 H LYS 65 HN LYS 65 -8.930 -4.891 9.927 481 HA LYS 65 HA LYS 65 -10.102 -5.972 7.614 482 HB2 LYS 65 2HB LYS 65 -11.675 -4.344 7.880 483 HB3 LYS 65 3HB LYS 65 -10.996 -4.343 9.495 484 HG2 LYS 65 2HG LYS 65 -9.512 -2.443 8.902 485 HG3 LYS 65 3HG LYS 65 -10.102 -2.471 7.252 486 HD2 LYS 65 2HD LYS 65 -11.189 -0.719 8.755 487 HD3 LYS 65 3HD LYS 65 -12.311 -1.769 7.912 488 HE2 LYS 65 2HE LYS 65 -12.843 -3.001 9.867 489 HE3 LYS 65 3HE LYS 65 -11.360 -2.546 10.682 490 HZ1 LYS 65 1HZ LYS 65 -13.694 -1.337 11.138 491 HZ2 LYS 65 2HZ LYS 65 -12.268 -0.581 11.358 492 H LEU 66 HN LEU 66 -7.168 -4.284 8.095 493 HA LEU 66 HA LEU 66 -7.232 -3.224 5.367 494 HB2 LEU 66 2HB LEU 66 -5.288 -2.689 7.617 495 HB3 LEU 66 3HB LEU 66 -5.272 -1.935 6.035 496 HG LEU 66 HG LEU 66 -7.468 -1.652 8.105 497 HD11 LEU 66 1HD1 LEU 66 -6.046 -0.204 9.040 498 HD12 LEU 66 2HD1 LEU 66 -4.975 -0.188 7.619 499 HD13 LEU 66 3HD1 LEU 66 -6.421 0.850 7.656 500 HD21 LEU 66 1HD2 LEU 66 -7.585 0.347 6.071 501 HD22 LEU 66 2HD2 LEU 66 -7.548 -1.252 5.290 502 HD23 LEU 66 3HD2 LEU 66 -8.795 -0.884 6.506 503 H PHE 67 HN PHE 67 -7.079 -6.125 6.087 504 HA PHE 67 HA PHE 67 -4.408 -6.966 5.828 505 HB2 PHE 67 2HB PHE 67 -6.308 -8.330 6.736 506 HB3 PHE 67 3HB PHE 67 -7.144 -8.225 5.199 507 HD1 PHE 67 HD1 PHE 67 -3.865 -9.384 6.565 508 HD2 PHE 67 HD2 PHE 67 -6.984 -10.018 3.759 509 HE1 PHE 67 HE1 PHE 67 -2.761 -11.511 5.819 510 HE2 PHE 67 HE2 PHE 67 -5.880 -12.145 3.013 511 HZ PHE 67 HZ PHE 67 -3.782 -12.866 4.052 512 H LEU 68 HN LEU 68 -6.436 -5.392 3.610 513 HA LEU 68 HA LEU 68 -5.183 -6.754 1.337 514 HB2 LEU 68 2HB LEU 68 -7.723 -5.195 1.679 515 HB3 LEU 68 3HB LEU 68 -6.982 -5.347 0.098 516 HG LEU 68 HG LEU 68 -8.115 -7.529 1.849 517 HD11 LEU 68 1HD1 LEU 68 -9.897 -6.987 0.602 518 HD12 LEU 68 2HD1 LEU 68 -8.919 -6.127 -0.611 519 HD13 LEU 68 3HD1 LEU 68 -9.070 -7.900 -0.683 520 HD21 LEU 68 1HD2 LEU 68 -6.207 -7.795 -0.473 521 HD22 LEU 68 2HD2 LEU 68 -6.119 -8.538 1.142 522 HD23 LEU 68 3HD2 LEU 68 -7.345 -9.088 -0.025 523 H GLN 69 HN GLN 69 -5.381 -3.770 3.208 524 HA GLN 69 HA GLN 69 -4.189 -2.199 1.163 525 HB2 GLN 69 2HB GLN 69 -4.848 -1.753 4.091 526 HB3 GLN 69 3HB GLN 69 -3.908 -0.573 3.200 527 HG2 GLN 69 2HG GLN 69 -5.749 -0.464 1.471 528 HG3 GLN 69 3HG GLN 69 -6.695 -1.573 2.445 529 HE21 GLN 69 1HE2 GLN 69 -8.282 0.092 2.511 530 HE22 GLN 69 2HE2 GLN 69 -8.174 1.394 3.649 531 H ASN 70 HN ASN 70 -2.984 -4.736 2.866 532 HA ASN 70 HA ASN 70 -0.572 -3.589 3.804 533 HB2 ASN 70 2HB ASN 70 0.091 -6.119 3.911 534 HB3 ASN 70 3HB ASN 70 -1.226 -5.585 4.936 535 HD21 ASN 70 1HD2 ASN 70 -1.101 -8.171 4.439 536 HD22 ASN 70 2HD2 ASN 70 -2.318 -8.707 3.330 537 H PHE 71 HN PHE 71 -1.620 -5.703 1.036 538 HA PHE 71 HA PHE 71 0.999 -5.540 -0.158 539 HB2 PHE 71 2HB PHE 71 -1.725 -6.722 -0.966 540 HB3 PHE 71 3HB PHE 71 -0.275 -6.935 -1.926 541 HD1 PHE 71 HD1 PHE 71 1.663 -8.208 -0.939 542 HD2 PHE 71 HD2 PHE 71 -2.156 -8.097 0.909 543 HE1 PHE 71 HE1 PHE 71 2.255 -10.242 0.408 544 HE2 PHE 71 HE2 PHE 71 -1.563 -10.130 2.256 545 HZ PHE 71 HZ PHE 71 0.635 -11.179 1.989 546 H LYS 72 HN LYS 72 -1.052 -3.162 0.206 547 HA LYS 72 HA LYS 72 -0.294 -1.778 -2.076 548 HB2 LYS 72 2HB LYS 72 -2.092 -3.542 -2.927 549 HB3 LYS 72 3HB LYS 72 -3.222 -2.352 -2.316 550 HG2 LYS 72 2HG LYS 72 -2.390 -0.638 -3.775 551 HG3 LYS 72 3HG LYS 72 -0.920 -1.525 -4.122 552 HD2 LYS 72 2HD LYS 72 -2.410 -3.337 -5.196 553 HD3 LYS 72 3HD LYS 72 -3.744 -2.210 -5.049 554 HE2 LYS 72 2HE LYS 72 -2.020 -0.535 -6.253 555 HE3 LYS 72 3HE LYS 72 -1.290 -2.031 -6.801 556 HZ1 LYS 72 1HZ LYS 72 -3.530 -2.686 -7.639 557 HZ2 LYS 72 2HZ LYS 72 -4.115 -1.221 -7.233 558 H ALA 73 HN ALA 73 -0.655 0.420 -1.764 559 HA ALA 73 HA ALA 73 -1.879 1.060 0.795 560 HB1 ALA 73 1HB ALA 73 0.204 2.189 -0.983 561 HB2 ALA 73 2HB ALA 73 -0.851 3.399 -0.213 562 HB3 ALA 73 3HB ALA 73 0.060 2.244 0.790 563 H GLY 74 HN GLY 74 -4.066 0.471 -0.153 564 HA2 GLY 74 1HA GLY 74 -5.678 2.599 -0.538 565 HA3 GLY 74 2HA GLY 74 -5.125 2.256 -2.165 566 H ALA 75 HN ALA 75 -4.787 -0.717 -1.442 567 HA ALA 75 HA ALA 75 -6.990 -1.758 -2.546 568 HB1 ALA 75 1HB ALA 75 -5.688 -3.549 -2.166 569 HB2 ALA 75 2HB ALA 75 -4.791 -2.676 -0.900 570 HB3 ALA 75 3HB ALA 75 -6.273 -3.569 -0.485 571 H ARG 76 HN ARG 76 -9.055 -2.494 -1.913 572 HA ARG 76 HA ARG 76 -10.346 -0.941 -0.078 573 HB2 ARG 76 2HB ARG 76 -12.258 -2.427 -0.418 574 HB3 ARG 76 3HB ARG 76 -11.407 -2.281 -1.944 575 HG2 ARG 76 2HG ARG 76 -11.518 -4.575 -1.928 576 HG3 ARG 76 3HG ARG 76 -10.089 -4.439 -0.922 577 HD2 ARG 76 2HD ARG 76 -11.299 -4.815 1.086 578 HD3 ARG 76 3HD ARG 76 -12.828 -4.338 0.375 579 HE ARG 76 HE ARG 76 -11.597 -6.724 -0.843 580 HH11 ARG 76 HH1 ARG 76 -14.051 -8.862 0.369 581 HH21 ARG 76 1HH2 ARG 76 -14.729 -6.999 1.715 582 HH22 ARG 76 2HH2 ARG 76 -13.864 -5.504 1.592 583 H ALA 77 HN ALA 77 -11.678 -1.911 1.881 584 HA ALA 77 HA ALA 77 -9.836 -3.597 3.434 585 HB1 ALA 77 1HB ALA 77 -9.805 -1.630 4.626 586 HB2 ALA 77 2HB ALA 77 -11.415 -1.130 4.054 587 HB3 ALA 77 3HB ALA 77 -11.267 -2.354 5.338 588 H LEU 78 HN LEU 78 -10.627 -5.487 4.291 589 HA LEU 78 HA LEU 78 -12.811 -6.710 3.283 590 HB2 LEU 78 2HB LEU 78 -11.751 -7.094 6.084 591 HB3 LEU 78 3HB LEU 78 -12.654 -8.255 5.132 592 HG LEU 78 HG LEU 78 -10.586 -9.086 4.759 593 HD11 LEU 78 1HD1 LEU 78 -9.806 -8.588 2.611 594 HD12 LEU 78 2HD1 LEU 78 -11.523 -8.120 2.575 595 HD13 LEU 78 3HD1 LEU 78 -10.264 -6.873 2.738 596 HD21 LEU 78 1HD2 LEU 78 -8.651 -7.138 4.464 597 HD22 LEU 78 2HD2 LEU 78 -9.723 -6.462 5.714 598 HD23 LEU 78 3HD2 LEU 78 -8.992 -8.069 5.942 599 H SER 79 HN SER 79 -14.875 -7.410 4.485 600 HA SER 79 HA SER 79 -16.240 -5.016 5.137 601 HB2 SER 79 2HB SER 79 -17.114 -7.117 3.862 602 HB3 SER 79 3HB SER 79 -17.344 -7.828 5.447 603 HG SER 79 HG SER 79 -19.230 -6.641 4.471 604 H ASP 80 HN ASP 80 -18.067 -5.675 7.126 605 HA ASP 80 HA ASP 80 -16.447 -5.403 9.410 606 HB2 ASP 80 2HB ASP 80 -19.449 -5.817 9.043 607 HB3 ASP 80 3HB ASP 80 -18.713 -5.516 10.605 608 HD2 ASP 80 HD2 ASP 80 -18.657 -2.346 10.474 609 H ALA 81 HN ALA 81 -18.029 -8.039 7.675 610 HA ALA 81 HA ALA 81 -17.950 -9.828 9.953 611 HB1 ALA 81 1HB ALA 81 -19.846 -9.843 8.349 612 HB2 ALA 81 2HB ALA 81 -18.722 -10.286 7.042 613 HB3 ALA 81 3HB ALA 81 -19.000 -11.409 8.395 614 H GLU 82 HN GLU 82 -16.530 -9.658 6.607 615 HA GLU 82 HA GLU 82 -14.907 -11.773 6.718 616 HB2 GLU 82 2HB GLU 82 -14.471 -9.024 5.503 617 HB3 GLU 82 3HB GLU 82 -13.302 -10.309 5.273 618 HG2 GLU 82 2HG GLU 82 -15.045 -11.765 4.282 619 HG3 GLU 82 3HG GLU 82 -16.271 -10.553 4.594 620 HE2 GLU 82 HE2 GLU 82 -13.552 -8.777 2.600 621 H THR 83 HN THR 83 -14.175 -8.470 8.022 622 HA THR 83 HA THR 83 -11.593 -9.081 8.924 623 HB THR 83 HB THR 83 -13.646 -7.043 9.937 624 HG1 THR 83 HG1 THR 83 -13.249 -6.334 7.876 625 HG21 THR 83 1HG2 THR 83 -11.863 -5.857 10.881 626 HG22 THR 83 2HG2 THR 83 -11.266 -7.513 11.139 627 HG23 THR 83 3HG2 THR 83 -10.674 -6.559 9.758 628 H LYS 84 HN LYS 84 -14.816 -9.648 10.335 629 HA LYS 84 HA LYS 84 -13.852 -10.217 12.926 630 HB2 LYS 84 2HB LYS 84 -16.414 -10.450 11.441 631 HB3 LYS 84 3HB LYS 84 -16.216 -11.537 12.800 632 HG2 LYS 84 2HG LYS 84 -15.448 -9.443 14.147 633 HG3 LYS 84 3HG LYS 84 -16.081 -8.496 12.816 634 HD2 LYS 84 2HD LYS 84 -18.315 -9.609 13.102 635 HD3 LYS 84 3HD LYS 84 -17.677 -10.523 14.454 636 HE2 LYS 84 2HE LYS 84 -17.092 -8.276 15.560 637 HE3 LYS 84 3HE LYS 84 -17.994 -7.492 14.279 638 HZ1 LYS 84 1HZ LYS 84 -19.602 -9.544 15.302 639 HZ2 LYS 84 2HZ LYS 84 -19.023 -8.725 16.585 640 H ALA 85 HN ALA 85 -14.474 -12.179 9.973 641 HA ALA 85 HA ALA 85 -14.015 -14.661 11.213 642 HB1 ALA 85 1HB ALA 85 -13.298 -14.703 8.432 643 HB2 ALA 85 2HB ALA 85 -14.786 -15.301 9.204 644 HB3 ALA 85 3HB ALA 85 -14.693 -13.617 8.637 645 H PHE 86 HN PHE 86 -11.898 -12.409 9.317 646 HA PHE 86 HA PHE 86 -9.621 -14.054 9.571 647 HB2 PHE 86 2HB PHE 86 -10.182 -12.152 7.889 648 HB3 PHE 86 3HB PHE 86 -9.870 -11.013 9.184 649 HD1 PHE 86 HD1 PHE 86 -7.966 -14.112 8.437 650 HD2 PHE 86 HD2 PHE 86 -7.995 -9.869 8.368 651 HE1 PHE 86 HE1 PHE 86 -5.527 -14.105 7.844 652 HE2 PHE 86 HE2 PHE 86 -5.556 -9.862 7.776 653 HZ PHE 86 HZ PHE 86 -4.351 -11.980 7.521 654 H LEU 87 HN LEU 87 -11.311 -12.091 11.830 655 HA LEU 87 HA LEU 87 -8.963 -11.321 13.313 656 HB2 LEU 87 2HB LEU 87 -10.696 -9.748 13.318 657 HB3 LEU 87 3HB LEU 87 -11.924 -10.954 13.648 658 HG LEU 87 HG LEU 87 -10.868 -11.271 15.929 659 HD11 LEU 87 1HD1 LEU 87 -8.683 -10.155 15.153 660 HD12 LEU 87 2HD1 LEU 87 -9.523 -8.616 15.459 661 HD13 LEU 87 3HD1 LEU 87 -9.289 -9.781 16.785 662 HD21 LEU 87 1HD2 LEU 87 -12.403 -9.869 16.756 663 HD22 LEU 87 2HD2 LEU 87 -11.688 -8.451 15.952 664 HD23 LEU 87 3HD2 LEU 87 -12.788 -9.523 15.052 665 H LYS 88 HN LYS 88 -11.870 -13.418 13.930 666 HA LYS 88 HA LYS 88 -10.691 -14.584 16.217 667 HB2 LYS 88 2HB LYS 88 -13.156 -14.999 14.581 668 HB3 LYS 88 3HB LYS 88 -12.640 -16.316 15.616 669 HG2 LYS 88 2HG LYS 88 -12.923 -15.071 17.590 670 HG3 LYS 88 3HG LYS 88 -12.686 -13.533 16.784 671 HD2 LYS 88 2HD LYS 88 -15.058 -13.813 17.413 672 HD3 LYS 88 3HD LYS 88 -14.896 -13.746 15.670 673 HE2 LYS 88 2HE LYS 88 -16.428 -15.571 16.279 674 HE3 LYS 88 3HE LYS 88 -14.978 -16.244 15.560 675 HZ1 LYS 88 1HZ LYS 88 -14.727 -17.423 17.438 676 HZ2 LYS 88 2HZ LYS 88 -14.486 -16.058 18.292 677 H ALA 89 HN ALA 89 -10.614 -15.252 12.733 678 HA ALA 89 HA ALA 89 -9.918 -17.885 12.679 679 HB1 ALA 89 1HB ALA 89 -8.407 -16.988 10.681 680 HB2 ALA 89 2HB ALA 89 -10.184 -16.919 10.592 681 HB3 ALA 89 3HB ALA 89 -9.257 -15.463 11.027 682 H GLY 90 HN GLY 90 -7.521 -15.145 12.700 683 HA2 GLY 90 1HA GLY 90 -5.411 -16.921 13.523 684 HA3 GLY 90 2HA GLY 90 -5.318 -15.191 13.258 685 H ASP 91 HN ASP 91 -7.209 -14.119 14.988 686 HA ASP 91 HA ASP 91 -5.838 -14.313 17.412 687 HB2 ASP 91 2HB ASP 91 -7.403 -12.427 16.308 688 HB3 ASP 91 3HB ASP 91 -8.650 -13.221 17.249 689 HD2 ASP 91 HD2 ASP 91 -8.497 -10.907 18.291 690 H SER 92 HN SER 92 -6.080 -15.992 18.893 691 HA SER 92 HA SER 92 -8.580 -17.461 18.804 692 HB2 SER 92 2HB SER 92 -6.313 -18.630 18.582 693 HB3 SER 92 3HB SER 92 -6.009 -18.212 20.257 694 HG SER 92 HG SER 92 -7.293 -20.357 19.375 695 H ASP 93 HN ASP 93 -6.985 -15.079 20.504 696 HA ASP 93 HA ASP 93 -8.275 -15.682 23.124 697 HB2 ASP 93 2HB ASP 93 -6.705 -14.085 23.983 698 HB3 ASP 93 3HB ASP 93 -5.815 -15.045 22.803 699 H GLY 94 HN GLY 94 -8.817 -13.821 20.201 700 HA2 GLY 94 1HA GLY 94 -10.134 -12.044 19.736 701 HA3 GLY 94 2HA GLY 94 -11.243 -12.821 20.848 702 H ASP 95 HN ASP 95 -8.296 -10.694 20.860 703 HA ASP 95 HA ASP 95 -9.397 -9.459 23.252 704 HB2 ASP 95 2HB ASP 95 -7.089 -8.559 23.583 705 HB3 ASP 95 3HB ASP 95 -7.120 -10.311 23.535 706 HD2 ASP 95 HD2 ASP 95 -5.043 -8.189 22.712 707 H GLY 96 HN GLY 96 -8.645 -9.094 19.847 708 HA2 GLY 96 1HA GLY 96 -9.804 -7.252 18.749 709 HA3 GLY 96 2HA GLY 96 -9.209 -6.193 20.013 710 H LYS 97 HN LYS 97 -6.809 -8.514 19.407 711 HA LYS 97 HA LYS 97 -5.657 -7.090 17.157 712 HB2 LYS 97 2HB LYS 97 -3.917 -7.403 19.578 713 HB3 LYS 97 3HB LYS 97 -3.756 -6.307 18.221 714 HG2 LYS 97 2HG LYS 97 -5.683 -4.980 18.998 715 HG3 LYS 97 3HG LYS 97 -6.003 -6.129 20.282 716 HD2 LYS 97 2HD LYS 97 -3.321 -4.705 20.063 717 HD3 LYS 97 3HD LYS 97 -4.679 -3.970 20.891 718 HE2 LYS 97 2HE LYS 97 -4.780 -5.744 22.526 719 HE3 LYS 97 3HE LYS 97 -3.734 -6.783 21.579 720 HZ1 LYS 97 1HZ LYS 97 -2.489 -4.271 22.199 721 HZ2 LYS 97 2HZ LYS 97 -2.896 -5.090 23.546 722 H ILE 98 HN ILE 98 -3.938 -8.305 16.116 723 HA ILE 98 HA ILE 98 -3.915 -11.114 16.981 724 HB ILE 98 HB ILE 98 -4.414 -9.867 14.335 725 HG12 ILE 98 2HG1 ILE 98 -5.451 -12.176 15.952 726 HG13 ILE 98 3HG1 ILE 98 -6.319 -10.815 15.272 727 HG21 ILE 98 1HG2 ILE 98 -2.971 -12.518 14.604 728 HG22 ILE 98 2HG2 ILE 98 -3.586 -11.786 13.103 729 HG23 ILE 98 3HG2 ILE 98 -2.256 -11.006 13.993 730 HD11 ILE 98 1HD1 ILE 98 -6.910 -12.579 13.824 731 HD12 ILE 98 2HD1 ILE 98 -5.579 -11.791 12.944 732 HD13 ILE 98 3HD1 ILE 98 -5.277 -13.285 13.863 733 H GLY 99 HN GLY 99 -1.951 -11.794 17.633 734 HA2 GLY 99 1HA GLY 99 0.357 -10.123 17.194 735 HA3 GLY 99 2HA GLY 99 0.265 -11.610 18.117 736 H ILE 100 HN ILE 100 2.475 -11.735 16.841 737 HA ILE 100 HA ILE 100 2.214 -12.485 14.089 738 HB ILE 100 HB ILE 100 4.180 -11.358 15.474 739 HG12 ILE 100 2HG1 ILE 100 4.178 -11.418 13.096 740 HG13 ILE 100 3HG1 ILE 100 5.717 -12.064 13.628 741 HG21 ILE 100 1HG2 ILE 100 4.380 -13.599 16.776 742 HG22 ILE 100 2HG2 ILE 100 5.241 -14.166 15.325 743 HG23 ILE 100 3HG2 ILE 100 5.856 -12.764 16.233 744 HD11 ILE 100 1HD1 ILE 100 3.370 -13.512 12.405 745 HD12 ILE 100 2HD1 ILE 100 5.105 -13.656 12.033 746 HD13 ILE 100 3HD1 ILE 100 4.446 -14.402 13.509 747 H ASP 101 HN ASP 101 2.471 -14.097 17.273 748 HA ASP 101 HA ASP 101 2.937 -16.638 16.197 749 HB2 ASP 101 2HB ASP 101 1.464 -16.322 18.801 750 HB3 ASP 101 3HB ASP 101 2.800 -17.386 18.411 751 HD2 ASP 101 HD2 ASP 101 5.220 -15.527 19.418 752 H GLU 102 HN GLU 102 0.185 -14.543 16.336 753 HA GLU 102 HA GLU 102 -1.654 -16.787 16.198 754 HB2 GLU 102 2HB GLU 102 -1.930 -13.872 16.906 755 HB3 GLU 102 3HB GLU 102 -3.328 -14.693 16.243 756 HG2 GLU 102 2HG GLU 102 -3.534 -16.140 18.071 757 HG3 GLU 102 3HG GLU 102 -1.822 -16.091 18.445 758 H PHE 103 HN PHE 103 -0.352 -13.980 14.406 759 HA PHE 103 HA PHE 103 -2.176 -14.326 12.225 760 HB2 PHE 103 2HB PHE 103 -1.332 -12.101 12.612 761 HB3 PHE 103 3HB PHE 103 0.286 -12.681 12.951 762 HD1 PHE 103 HD1 PHE 103 -2.155 -12.159 10.213 763 HD2 PHE 103 HD2 PHE 103 1.911 -12.785 11.250 764 HE1 PHE 103 HE1 PHE 103 -1.473 -11.637 7.855 765 HE2 PHE 103 HE2 PHE 103 2.594 -12.263 8.892 766 HZ PHE 103 HZ PHE 103 0.893 -11.695 7.222 767 H ALA 104 HN ALA 104 0.971 -15.582 13.207 768 HA ALA 104 HA ALA 104 1.609 -16.433 10.512 769 HB1 ALA 104 1HB ALA 104 3.673 -17.269 11.581 770 HB2 ALA 104 2HB ALA 104 3.370 -15.568 12.009 771 HB3 ALA 104 3HB ALA 104 3.012 -16.859 13.182 772 H ALA 105 HN ALA 105 -0.308 -17.480 13.147 773 HA ALA 105 HA ALA 105 0.183 -20.287 12.806 774 HB1 ALA 105 1HB ALA 105 -2.215 -19.066 14.180 775 HB2 ALA 105 2HB ALA 105 -1.317 -20.548 14.589 776 HB3 ALA 105 3HB ALA 105 -0.599 -18.952 14.918 777 H MET 106 HN MET 106 -2.536 -17.987 12.077 778 HA MET 106 HA MET 106 -4.210 -19.738 10.889 779 HB2 MET 106 2HB MET 106 -4.977 -17.685 9.552 780 HB3 MET 106 3HB MET 106 -4.839 -17.409 11.277 781 HG2 MET 106 2HG MET 106 -2.378 -16.627 10.718 782 HG3 MET 106 3HG MET 106 -2.960 -16.498 9.070 783 HE1 MET 106 1HE MET 106 -6.277 -14.319 9.990 784 HE2 MET 106 2HE MET 106 -5.720 -15.707 9.025 785 HE3 MET 106 3HE MET 106 -6.170 -15.934 10.732 786 H ILE 107 HN ILE 107 -1.073 -18.709 9.768 787 HA ILE 107 HA ILE 107 -1.681 -19.706 7.079 788 HB ILE 107 HB ILE 107 0.738 -18.633 6.789 789 HG12 ILE 107 2HG1 ILE 107 -0.484 -17.029 9.054 790 HG13 ILE 107 3HG1 ILE 107 0.962 -18.012 9.157 791 HG21 ILE 107 1HG2 ILE 107 -1.515 -18.130 5.668 792 HG22 ILE 107 2HG2 ILE 107 -1.666 -16.815 6.858 793 HG23 ILE 107 3HG2 ILE 107 -0.299 -16.832 5.718 794 HD11 ILE 107 1HD1 ILE 107 2.195 -16.579 7.702 795 HD12 ILE 107 2HD1 ILE 107 0.719 -15.794 7.092 796 HD13 ILE 107 3HD1 ILE 107 1.278 -15.471 8.750 797 H LYS 108 HN LYS 108 0.452 -20.042 9.948 798 HA LYS 108 HA LYS 108 2.087 -22.032 8.800 799 HB2 LYS 108 2HB LYS 108 2.915 -20.756 10.638 800 HB3 LYS 108 3HB LYS 108 1.541 -21.165 11.645 801 HG2 LYS 108 2HG LYS 108 2.311 -23.326 12.079 802 HG3 LYS 108 3HG LYS 108 3.150 -23.456 10.546 803 HD2 LYS 108 2HD LYS 108 4.822 -21.723 11.410 804 HD3 LYS 108 3HD LYS 108 4.040 -21.836 12.975 805 HE2 LYS 108 2HE LYS 108 5.671 -23.449 13.297 806 HE3 LYS 108 3HE LYS 108 4.437 -24.474 12.590 807 HZ1 LYS 108 1HZ LYS 108 6.213 -23.134 10.704 808 HZ2 LYS 108 2HZ LYS 108 6.890 -24.317 11.595 809 H GLY 109 HN GLY 109 -1.202 -22.009 9.778 810 HA2 GLY 109 1HA GLY 109 -1.193 -24.909 10.298 811 HA3 GLY 109 2HA GLY 109 -2.464 -23.777 10.716 Start of MODEL 12 1 H SER 0 HN SER 0 3.301 -0.612 4.040 2 HA SER 0 HA SER 0 1.693 -0.237 1.784 3 HB2 SER 0 2HB SER 0 4.296 1.001 2.743 4 HB3 SER 0 3HB SER 0 3.576 1.479 1.219 5 HG SER 0 HG SER 0 2.510 2.868 2.477 6 H MET 1 HN MET 1 1.766 -2.011 0.346 7 HA MET 1 HA MET 1 2.637 -3.544 -0.977 8 HB2 MET 1 2HB MET 1 3.988 -2.493 -2.849 9 HB3 MET 1 3HB MET 1 2.572 -1.548 -2.432 10 HG2 MET 1 2HG MET 1 3.922 0.010 -1.098 11 HG3 MET 1 3HG MET 1 5.345 -0.997 -1.274 12 HE1 MET 1 1HE MET 1 6.173 -1.778 -3.650 13 HE2 MET 1 2HE MET 1 6.603 -0.461 -4.769 14 HE3 MET 1 3HE MET 1 7.139 -0.399 -3.072 15 H ALA 2 HN ALA 2 4.074 -3.366 1.601 16 HA ALA 2 HA ALA 2 6.846 -3.432 1.207 17 HB1 ALA 2 1HB ALA 2 6.827 -3.654 3.453 18 HB2 ALA 2 2HB ALA 2 5.056 -3.517 3.339 19 HB3 ALA 2 3HB ALA 2 5.824 -5.122 3.379 20 H PHE 3 HN PHE 3 4.333 -5.585 0.234 21 HA PHE 3 HA PHE 3 5.867 -7.983 0.420 22 HB2 PHE 3 2HB PHE 3 3.247 -6.967 -0.719 23 HB3 PHE 3 3HB PHE 3 3.858 -8.462 -1.400 24 HD1 PHE 3 HD1 PHE 3 4.572 -10.278 0.388 25 HD2 PHE 3 HD2 PHE 3 1.886 -7.081 1.145 26 HE1 PHE 3 HE1 PHE 3 3.593 -11.556 2.313 27 HE2 PHE 3 HE2 PHE 3 0.907 -8.359 3.071 28 HZ PHE 3 HZ PHE 3 1.772 -10.582 3.632 29 H ALA 4 HN ALA 4 6.172 -5.251 -1.524 30 HA ALA 4 HA ALA 4 6.474 -6.332 -4.078 31 HB1 ALA 4 1HB ALA 4 7.503 -4.238 -4.601 32 HB2 ALA 4 2HB ALA 4 6.286 -3.890 -3.349 33 HB3 ALA 4 3HB ALA 4 8.009 -3.984 -2.914 34 H SER 5 HN SER 5 8.299 -6.790 -1.183 35 HA SER 5 HA SER 5 10.553 -7.700 -2.794 36 HB2 SER 5 2HB SER 5 10.770 -5.821 -0.924 37 HB3 SER 5 3HB SER 5 10.765 -7.185 0.176 38 HG SER 5 HG SER 5 12.585 -8.080 -1.021 39 H VAL 6 HN VAL 6 8.256 -8.400 -0.130 40 HA VAL 6 HA VAL 6 9.359 -10.868 0.619 41 HB VAL 6 HB VAL 6 6.507 -9.878 0.798 42 HG11 VAL 6 1HG1 VAL 6 7.972 -11.941 2.479 43 HG12 VAL 6 2HG1 VAL 6 6.282 -11.418 2.671 44 HG13 VAL 6 3HG1 VAL 6 6.778 -12.306 1.210 45 HG21 VAL 6 1HG2 VAL 6 7.420 -8.245 2.053 46 HG22 VAL 6 2HG2 VAL 6 7.608 -9.520 3.282 47 HG23 VAL 6 3HG2 VAL 6 8.972 -9.101 2.218 48 H LEU 7 HN LEU 7 6.397 -10.166 -1.378 49 HA LEU 7 HA LEU 7 6.960 -12.692 -2.771 50 HB2 LEU 7 2HB LEU 7 4.298 -11.430 -2.100 51 HB3 LEU 7 3HB LEU 7 4.509 -12.828 -3.135 52 HG LEU 7 HG LEU 7 5.627 -12.924 -0.356 53 HD11 LEU 7 1HD1 LEU 7 3.301 -13.939 0.258 54 HD12 LEU 7 2HD1 LEU 7 3.550 -12.177 0.313 55 HD13 LEU 7 3HD1 LEU 7 2.713 -12.915 -1.074 56 HD21 LEU 7 1HD2 LEU 7 5.184 -14.752 -2.531 57 HD22 LEU 7 2HD2 LEU 7 6.045 -15.006 -0.994 58 HD23 LEU 7 3HD2 LEU 7 4.291 -15.298 -1.090 59 H LYS 8 HN LYS 8 5.421 -12.528 -4.974 60 HA LYS 8 HA LYS 8 6.674 -10.324 -6.373 61 HB2 LYS 8 2HB LYS 8 6.562 -12.839 -7.084 62 HB3 LYS 8 3HB LYS 8 4.952 -12.438 -7.648 63 HG2 LYS 8 2HG LYS 8 5.817 -10.696 -9.124 64 HG3 LYS 8 3HG LYS 8 7.421 -10.825 -8.430 65 HD2 LYS 8 2HD LYS 8 7.814 -12.965 -9.421 66 HD3 LYS 8 3HD LYS 8 6.110 -13.241 -9.723 67 HE2 LYS 8 2HE LYS 8 6.067 -11.528 -11.470 68 HE3 LYS 8 3HE LYS 8 7.691 -11.003 -11.070 69 HZ1 LYS 8 1HZ LYS 8 7.418 -13.825 -11.736 70 HZ2 LYS 8 2HZ LYS 8 7.187 -12.794 -12.975 71 H ASP 9 HN ASP 9 5.672 -8.435 -6.806 72 HA ASP 9 HA ASP 9 3.179 -7.880 -5.837 73 HB2 ASP 9 2HB ASP 9 4.780 -6.121 -6.377 74 HB3 ASP 9 3HB ASP 9 4.811 -6.589 -8.065 75 HD2 ASP 9 HD2 ASP 9 3.902 -4.327 -8.733 76 H ALA 10 HN ALA 10 4.175 -9.613 -8.685 77 HA ALA 10 HA ALA 10 1.800 -9.018 -10.212 78 HB1 ALA 10 1HB ALA 10 4.094 -9.403 -11.200 79 HB2 ALA 10 2HB ALA 10 3.959 -11.105 -10.697 80 HB3 ALA 10 3HB ALA 10 2.815 -10.435 -11.884 81 H GLU 11 HN GLU 11 3.034 -11.447 -7.931 82 HA GLU 11 HA GLU 11 0.965 -13.295 -8.595 83 HB2 GLU 11 2HB GLU 11 3.257 -13.201 -6.647 84 HB3 GLU 11 3HB GLU 11 1.944 -14.309 -6.305 85 HG2 GLU 11 2HG GLU 11 3.142 -14.244 -9.087 86 HG3 GLU 11 3HG GLU 11 3.989 -15.090 -7.807 87 HE2 GLU 11 HE2 GLU 11 2.075 -17.617 -9.180 88 H VAL 12 HN VAL 12 1.870 -11.585 -5.506 89 HA VAL 12 HA VAL 12 -0.371 -12.077 -4.085 90 HB VAL 12 HB VAL 12 0.183 -10.183 -2.777 91 HG11 VAL 12 1HG1 VAL 12 2.042 -12.100 -3.492 92 HG12 VAL 12 2HG1 VAL 12 2.945 -10.578 -3.688 93 HG13 VAL 12 3HG1 VAL 12 2.184 -10.967 -2.126 94 HG21 VAL 12 1HG2 VAL 12 1.475 -9.112 -5.292 95 HG22 VAL 12 2HG2 VAL 12 0.207 -8.372 -4.285 96 HG23 VAL 12 3HG2 VAL 12 1.877 -8.478 -3.678 97 H THR 13 HN THR 13 0.074 -9.679 -6.719 98 HA THR 13 HA THR 13 -2.229 -8.209 -6.405 99 HB THR 13 HB THR 13 -0.448 -9.045 -8.704 100 HG1 THR 13 HG1 THR 13 -0.028 -6.782 -8.477 101 HG21 THR 13 1HG2 THR 13 -2.822 -7.152 -9.030 102 HG22 THR 13 2HG2 THR 13 -1.715 -7.743 -10.292 103 HG23 THR 13 3HG2 THR 13 -2.898 -8.850 -9.557 104 H ALA 14 HN ALA 14 -1.829 -11.328 -8.201 105 HA ALA 14 HA ALA 14 -4.480 -11.489 -9.029 106 HB1 ALA 14 1HB ALA 14 -3.212 -14.064 -8.424 107 HB2 ALA 14 2HB ALA 14 -3.710 -13.380 -9.990 108 HB3 ALA 14 3HB ALA 14 -2.125 -12.959 -9.298 109 H ALA 15 HN ALA 15 -2.913 -12.087 -5.910 110 HA ALA 15 HA ALA 15 -5.075 -13.634 -4.863 111 HB1 ALA 15 1HB ALA 15 -3.795 -13.655 -2.868 112 HB2 ALA 15 2HB ALA 15 -2.586 -13.635 -4.174 113 HB3 ALA 15 3HB ALA 15 -2.961 -12.139 -3.285 114 H LEU 16 HN LEU 16 -4.415 -10.254 -5.427 115 HA LEU 16 HA LEU 16 -6.204 -9.360 -3.351 116 HB2 LEU 16 2HB LEU 16 -4.582 -7.999 -5.489 117 HB3 LEU 16 3HB LEU 16 -5.764 -7.128 -4.533 118 HG LEU 16 HG LEU 16 -3.648 -8.733 -3.134 119 HD11 LEU 16 1HD1 LEU 16 -2.842 -5.972 -3.456 120 HD12 LEU 16 2HD1 LEU 16 -1.934 -7.471 -3.766 121 HD13 LEU 16 3HD1 LEU 16 -2.980 -6.787 -5.033 122 HD21 LEU 16 1HD2 LEU 16 -4.252 -6.134 -2.036 123 HD22 LEU 16 2HD2 LEU 16 -5.750 -7.051 -2.328 124 HD23 LEU 16 3HD2 LEU 16 -4.461 -7.750 -1.319 125 H ASP 17 HN ASP 17 -6.123 -9.399 -6.980 126 HA ASP 17 HA ASP 17 -8.678 -8.385 -7.259 127 HB2 ASP 17 2HB ASP 17 -6.691 -8.884 -8.979 128 HB3 ASP 17 3HB ASP 17 -7.543 -10.396 -9.215 129 HD2 ASP 17 HD2 ASP 17 -10.357 -9.303 -9.658 130 H GLY 18 HN GLY 18 -7.494 -11.457 -6.163 131 HA2 GLY 18 1HA GLY 18 -9.754 -13.036 -7.048 132 HA3 GLY 18 2HA GLY 18 -8.413 -13.547 -6.043 133 H CYS 19 HN CYS 19 -9.303 -10.662 -4.668 134 HA CYS 19 HA CYS 19 -11.470 -11.838 -3.109 135 HB2 CYS 19 2HB CYS 19 -9.137 -10.424 -1.790 136 HB3 CYS 19 3HB CYS 19 -10.471 -11.251 -1.010 137 HG CYS 19 HG CYS 19 -9.955 -13.628 -2.022 138 H LYS 20 HN LYS 20 -11.161 -9.804 -5.344 139 HA LYS 20 HA LYS 20 -11.481 -7.253 -4.085 140 HB2 LYS 20 2HB LYS 20 -11.310 -8.326 -6.846 141 HB3 LYS 20 3HB LYS 20 -12.271 -6.874 -6.655 142 HG2 LYS 20 2HG LYS 20 -9.529 -7.058 -5.367 143 HG3 LYS 20 3HG LYS 20 -9.673 -6.661 -7.068 144 HD2 LYS 20 2HD LYS 20 -9.761 -4.518 -6.178 145 HD3 LYS 20 3HD LYS 20 -11.473 -4.891 -6.180 146 HE2 LYS 20 2HE LYS 20 -11.562 -5.198 -3.860 147 HE3 LYS 20 3HE LYS 20 -9.888 -5.705 -3.751 148 HZ1 LYS 20 1HZ LYS 20 -9.326 -3.314 -4.356 149 HZ2 LYS 20 2HZ LYS 20 -10.888 -2.938 -4.087 150 H ALA 21 HN ALA 21 -13.471 -10.006 -4.657 151 HA ALA 21 HA ALA 21 -15.914 -8.512 -4.943 152 HB1 ALA 21 1HB ALA 21 -16.073 -10.535 -6.044 153 HB2 ALA 21 2HB ALA 21 -15.060 -11.388 -4.855 154 HB3 ALA 21 3HB ALA 21 -16.754 -11.002 -4.467 155 H ALA 22 HN ALA 22 -16.680 -7.375 -3.228 156 HA ALA 22 HA ALA 22 -15.903 -7.595 -0.638 157 HB1 ALA 22 1HB ALA 22 -18.292 -6.634 -0.204 158 HB2 ALA 22 2HB ALA 22 -17.171 -5.710 -1.232 159 HB3 ALA 22 3HB ALA 22 -18.458 -6.689 -1.975 160 H GLY 23 HN GLY 23 -16.495 -8.788 1.189 161 HA2 GLY 23 1HA GLY 23 -17.258 -10.553 2.349 162 HA3 GLY 23 2HA GLY 23 -18.722 -10.454 1.392 163 H SER 24 HN SER 24 -15.746 -10.835 -0.418 164 HA SER 24 HA SER 24 -16.335 -13.682 -0.653 165 HB2 SER 24 2HB SER 24 -16.878 -11.992 -2.649 166 HB3 SER 24 3HB SER 24 -15.159 -12.131 -2.959 167 HG SER 24 HG SER 24 -15.411 -14.446 -3.123 168 H PHE 25 HN PHE 25 -14.303 -11.723 0.824 169 HA PHE 25 HA PHE 25 -11.808 -12.664 -0.293 170 HB2 PHE 25 2HB PHE 25 -11.736 -10.406 0.496 171 HB3 PHE 25 3HB PHE 25 -12.826 -10.740 1.827 172 HD1 PHE 25 HD1 PHE 25 -9.350 -11.268 0.651 173 HD2 PHE 25 HD2 PHE 25 -11.992 -11.223 3.972 174 HE1 PHE 25 HE1 PHE 25 -7.392 -11.442 2.212 175 HE2 PHE 25 HE2 PHE 25 -10.034 -11.398 5.532 176 HZ PHE 25 HZ PHE 25 -7.757 -11.505 4.634 177 H ASP 26 HN ASP 26 -10.317 -14.037 0.777 178 HA ASP 26 HA ASP 26 -11.391 -15.320 3.159 179 HB2 ASP 26 2HB ASP 26 -10.536 -16.506 0.556 180 HB3 ASP 26 3HB ASP 26 -9.900 -17.320 1.972 181 HD2 ASP 26 HD2 ASP 26 -13.567 -17.007 0.774 182 H HIS 27 HN HIS 27 -9.653 -16.209 4.590 183 HA HIS 27 HA HIS 27 -7.256 -14.634 4.371 184 HB2 HIS 27 2HB HIS 27 -6.765 -15.671 6.614 185 HB3 HIS 27 3HB HIS 27 -8.211 -14.684 6.525 186 HD1 HIS 27 HD1 HIS 27 -10.555 -16.022 6.421 187 HD2 HIS 27 HD2 HIS 27 -7.171 -18.295 7.412 188 HE1 HIS 27 HE1 HIS 27 -11.425 -18.194 7.438 189 H LYS 28 HN LYS 28 -7.974 -18.162 4.915 190 HA LYS 28 HA LYS 28 -5.428 -19.073 4.458 191 HB2 LYS 28 2HB LYS 28 -6.594 -21.237 3.852 192 HB3 LYS 28 3HB LYS 28 -7.006 -20.543 5.408 193 HG2 LYS 28 2HG LYS 28 -9.184 -20.635 4.780 194 HG3 LYS 28 3HG LYS 28 -8.845 -19.348 3.640 195 HD2 LYS 28 2HD LYS 28 -9.791 -21.078 2.304 196 HD3 LYS 28 3HD LYS 28 -8.070 -21.193 1.999 197 HE2 LYS 28 2HE LYS 28 -8.397 -23.416 2.487 198 HE3 LYS 28 3HE LYS 28 -8.238 -22.870 4.145 199 HZ1 LYS 28 1HZ LYS 28 -10.750 -23.394 2.672 200 HZ2 LYS 28 2HZ LYS 28 -10.252 -24.072 4.067 201 H LYS 29 HN LYS 29 -8.087 -18.442 2.094 202 HA LYS 29 HA LYS 29 -6.948 -19.447 -0.158 203 HB2 LYS 29 2HB LYS 29 -8.617 -16.944 0.207 204 HB3 LYS 29 3HB LYS 29 -8.246 -17.650 -1.353 205 HG2 LYS 29 2HG LYS 29 -9.731 -19.021 0.937 206 HG3 LYS 29 3HG LYS 29 -10.441 -18.451 -0.560 207 HD2 LYS 29 2HD LYS 29 -8.770 -20.037 -1.769 208 HD3 LYS 29 3HD LYS 29 -8.471 -20.744 -0.194 209 HE2 LYS 29 2HE LYS 29 -10.194 -22.098 -1.143 210 HE3 LYS 29 3HE LYS 29 -11.025 -21.069 0.007 211 HZ1 LYS 29 1HZ LYS 29 -11.446 -21.218 -2.767 212 HZ2 LYS 29 2HZ LYS 29 -12.260 -20.309 -1.689 213 H PHE 30 HN PHE 30 -6.671 -15.956 0.830 214 HA PHE 30 HA PHE 30 -4.841 -15.148 -0.949 215 HB2 PHE 30 2HB PHE 30 -6.005 -14.179 1.335 216 HB3 PHE 30 3HB PHE 30 -4.408 -14.493 1.985 217 HD1 PHE 30 HD1 PHE 30 -6.396 -12.050 0.562 218 HD2 PHE 30 HD2 PHE 30 -2.443 -13.579 0.362 219 HE1 PHE 30 HE1 PHE 30 -5.592 -9.854 -0.350 220 HE2 PHE 30 HE2 PHE 30 -1.639 -11.383 -0.550 221 HZ PHE 30 HZ PHE 30 -3.224 -9.547 -0.895 222 H PHE 31 HN PHE 31 -3.929 -16.407 2.346 223 HA PHE 31 HA PHE 31 -1.213 -16.490 1.841 224 HB2 PHE 31 2HB PHE 31 -3.029 -18.273 3.574 225 HB3 PHE 31 3HB PHE 31 -1.297 -18.127 3.800 226 HD1 PHE 31 HD1 PHE 31 -1.115 -15.116 3.331 227 HD2 PHE 31 HD2 PHE 31 -3.746 -17.475 5.680 228 HE1 PHE 31 HE1 PHE 31 -1.481 -13.171 4.875 229 HE2 PHE 31 HE2 PHE 31 -4.111 -15.530 7.224 230 HZ PHE 31 HZ PHE 31 -2.974 -13.401 6.803 231 H LYS 32 HN LYS 32 -3.804 -18.610 0.765 232 HA LYS 32 HA LYS 32 -1.977 -20.783 0.204 233 HB2 LYS 32 2HB LYS 32 -4.940 -20.373 0.133 234 HB3 LYS 32 3HB LYS 32 -4.256 -21.611 -0.900 235 HG2 LYS 32 2HG LYS 32 -3.445 -21.452 2.021 236 HG3 LYS 32 3HG LYS 32 -4.951 -22.226 1.571 237 HD2 LYS 32 2HD LYS 32 -2.462 -23.014 0.060 238 HD3 LYS 32 3HD LYS 32 -2.637 -23.597 1.703 239 HE2 LYS 32 2HE LYS 32 -4.581 -24.037 -0.610 240 HE3 LYS 32 3HE LYS 32 -3.598 -25.253 0.180 241 HZ1 LYS 32 1HZ LYS 32 -6.091 -24.846 0.896 242 HZ2 LYS 32 2HZ LYS 32 -4.979 -25.278 2.005 243 H ALA 33 HN ALA 33 -3.097 -17.854 -1.258 244 HA ALA 33 HA ALA 33 -2.755 -18.818 -3.958 245 HB1 ALA 33 1HB ALA 33 -4.302 -17.178 -4.138 246 HB2 ALA 33 2HB ALA 33 -3.846 -16.457 -2.576 247 HB3 ALA 33 3HB ALA 33 -2.926 -16.054 -4.045 248 H CYS 34 HN CYS 34 -1.197 -16.310 -1.830 249 HA CYS 34 HA CYS 34 0.958 -15.936 -3.579 250 HB2 CYS 34 2HB CYS 34 2.021 -14.810 -1.582 251 HB3 CYS 34 3HB CYS 34 0.458 -14.180 -2.063 252 HG CYS 34 HG CYS 34 -0.091 -14.168 0.289 253 H GLY 35 HN GLY 35 0.147 -18.300 -1.078 254 HA2 GLY 35 1HA GLY 35 1.185 -20.387 -0.958 255 HA3 GLY 35 2HA GLY 35 2.652 -19.717 -1.645 256 H LEU 36 HN LEU 36 1.141 -17.699 0.764 257 HA LEU 36 HA LEU 36 3.373 -17.809 2.440 258 HB2 LEU 36 2HB LEU 36 0.711 -16.535 2.424 259 HB3 LEU 36 3HB LEU 36 1.419 -16.765 4.010 260 HG LEU 36 HG LEU 36 3.087 -15.516 1.853 261 HD11 LEU 36 1HD1 LEU 36 1.916 -13.635 1.669 262 HD12 LEU 36 2HD1 LEU 36 0.564 -14.496 2.444 263 HD13 LEU 36 3HD1 LEU 36 1.681 -13.521 3.430 264 HD21 LEU 36 1HD2 LEU 36 3.456 -14.172 4.246 265 HD22 LEU 36 2HD2 LEU 36 3.186 -15.858 4.749 266 HD23 LEU 36 3HD2 LEU 36 4.481 -15.471 3.590 267 H SER 37 HN SER 37 0.153 -19.426 2.558 268 HA SER 37 HA SER 37 0.407 -20.512 5.056 269 HB2 SER 37 2HB SER 37 -1.619 -20.508 3.474 270 HB3 SER 37 3HB SER 37 -0.904 -21.898 2.681 271 HG SER 37 HG SER 37 -1.022 -22.139 5.475 272 H GLY 38 HN GLY 38 1.997 -21.831 5.858 273 HA2 GLY 38 1HA GLY 38 3.035 -23.940 5.899 274 HA3 GLY 38 2HA GLY 38 2.960 -24.023 4.150 275 H LYS 39 HN LYS 39 3.796 -20.844 5.005 276 HA LYS 39 HA LYS 39 6.452 -21.210 4.060 277 HB2 LYS 39 2HB LYS 39 4.799 -18.875 4.990 278 HB3 LYS 39 3HB LYS 39 6.526 -18.689 4.762 279 HG2 LYS 39 2HG LYS 39 4.522 -19.646 2.665 280 HG3 LYS 39 3HG LYS 39 5.333 -18.092 2.688 281 HD2 LYS 39 2HD LYS 39 7.531 -19.668 2.768 282 HD3 LYS 39 3HD LYS 39 6.442 -20.806 2.001 283 HE2 LYS 39 2HE LYS 39 5.849 -18.868 0.359 284 HE3 LYS 39 3HE LYS 39 7.258 -18.048 1.002 285 HZ1 LYS 39 1HZ LYS 39 7.873 -19.352 -0.931 286 HZ2 LYS 39 2HZ LYS 39 8.587 -20.024 0.369 287 H SER 40 HN SER 40 8.057 -19.562 5.593 288 HA SER 40 HA SER 40 8.293 -21.215 7.958 289 HB2 SER 40 2HB SER 40 10.215 -19.433 6.428 290 HB3 SER 40 3HB SER 40 10.601 -19.977 8.048 291 HG SER 40 HG SER 40 11.070 -21.309 5.833 292 H THR 41 HN THR 41 8.304 -20.340 10.077 293 HA THR 41 HA THR 41 6.783 -18.085 10.555 294 HB THR 41 HB THR 41 8.753 -19.765 12.150 295 HG1 THR 41 HG1 THR 41 6.418 -20.263 11.430 296 HG21 THR 41 1HG2 THR 41 8.630 -17.276 12.996 297 HG22 THR 41 2HG2 THR 41 6.937 -17.658 13.390 298 HG23 THR 41 3HG2 THR 41 8.258 -18.571 14.159 299 H ASP 42 HN ASP 42 10.098 -18.305 9.527 300 HA ASP 42 HA ASP 42 11.027 -15.967 10.696 301 HB2 ASP 42 2HB ASP 42 11.775 -17.467 8.152 302 HB3 ASP 42 3HB ASP 42 12.640 -16.027 8.651 303 HD2 ASP 42 HD2 ASP 42 13.723 -19.440 10.143 304 H GLU 43 HN GLU 43 10.042 -16.635 7.239 305 HA GLU 43 HA GLU 43 9.968 -13.954 6.534 306 HB2 GLU 43 2HB GLU 43 9.180 -14.703 4.444 307 HB3 GLU 43 3HB GLU 43 10.070 -16.086 5.048 308 HG2 GLU 43 2HG GLU 43 7.955 -17.113 5.870 309 HG3 GLU 43 3HG GLU 43 7.049 -15.715 5.325 310 HE2 GLU 43 HE2 GLU 43 7.180 -15.888 2.298 311 H VAL 44 HN VAL 44 7.454 -16.225 7.749 312 HA VAL 44 HA VAL 44 5.195 -14.781 7.281 313 HB VAL 44 HB VAL 44 6.018 -16.491 9.629 314 HG11 VAL 44 1HG1 VAL 44 3.384 -15.156 9.025 315 HG12 VAL 44 2HG1 VAL 44 3.438 -16.715 9.882 316 HG13 VAL 44 3HG1 VAL 44 4.255 -15.293 10.572 317 HG21 VAL 44 1HG2 VAL 44 4.188 -17.126 7.294 318 HG22 VAL 44 2HG2 VAL 44 5.923 -17.520 7.338 319 HG23 VAL 44 3HG2 VAL 44 4.814 -18.250 8.523 320 H LYS 45 HN LYS 45 7.791 -14.185 9.652 321 HA LYS 45 HA LYS 45 6.290 -12.223 11.081 322 HB2 LYS 45 2HB LYS 45 9.212 -13.016 11.076 323 HB3 LYS 45 3HB LYS 45 8.565 -11.748 12.097 324 HG2 LYS 45 2HG LYS 45 7.179 -13.259 13.316 325 HG3 LYS 45 3HG LYS 45 7.267 -14.492 12.074 326 HD2 LYS 45 2HD LYS 45 9.528 -15.065 12.636 327 HD3 LYS 45 3HD LYS 45 9.767 -13.590 13.551 328 HE2 LYS 45 2HE LYS 45 9.282 -15.884 14.809 329 HE3 LYS 45 3HE LYS 45 8.612 -14.383 15.419 330 HZ1 LYS 45 1HZ LYS 45 6.943 -16.192 15.204 331 HZ2 LYS 45 2HZ LYS 45 6.528 -14.884 14.327 332 H LYS 46 HN LYS 46 8.547 -12.297 8.313 333 HA LYS 46 HA LYS 46 8.842 -9.458 8.261 334 HB2 LYS 46 2HB LYS 46 9.436 -11.317 5.965 335 HB3 LYS 46 3HB LYS 46 10.219 -9.809 6.392 336 HG2 LYS 46 2HG LYS 46 10.424 -12.483 7.835 337 HG3 LYS 46 3HG LYS 46 11.715 -11.581 7.066 338 HD2 LYS 46 2HD LYS 46 10.139 -10.503 9.447 339 HD3 LYS 46 3HD LYS 46 11.614 -11.431 9.629 340 HE2 LYS 46 2HE LYS 46 11.591 -9.013 7.799 341 HE3 LYS 46 3HE LYS 46 11.721 -8.782 9.532 342 HZ1 LYS 46 1HZ LYS 46 13.731 -9.652 7.738 343 HZ2 LYS 46 2HZ LYS 46 13.890 -9.264 9.312 344 H ALA 47 HN ALA 47 6.447 -11.769 7.225 345 HA ALA 47 HA ALA 47 5.405 -10.110 5.126 346 HB1 ALA 47 1HB ALA 47 3.455 -11.913 5.596 347 HB2 ALA 47 2HB ALA 47 4.922 -12.307 4.668 348 HB3 ALA 47 3HB ALA 47 4.810 -12.754 6.387 349 H PHE 48 HN PHE 48 4.973 -10.575 8.618 350 HA PHE 48 HA PHE 48 2.452 -9.267 8.725 351 HB2 PHE 48 2HB PHE 48 3.163 -10.844 10.470 352 HB3 PHE 48 3HB PHE 48 4.696 -10.020 10.675 353 HD1 PHE 48 HD1 PHE 48 4.799 -7.870 11.882 354 HD2 PHE 48 HD2 PHE 48 1.180 -10.066 11.579 355 HE1 PHE 48 HE1 PHE 48 3.825 -6.524 13.764 356 HE2 PHE 48 HE2 PHE 48 0.206 -8.720 13.461 357 HZ PHE 48 HZ PHE 48 1.540 -6.965 14.530 358 H ALA 49 HN ALA 49 5.829 -8.245 8.633 359 HA ALA 49 HA ALA 49 5.362 -5.698 9.830 360 HB1 ALA 49 1HB ALA 49 7.696 -5.447 8.429 361 HB2 ALA 49 2HB ALA 49 7.577 -6.182 10.046 362 HB3 ALA 49 3HB ALA 49 7.597 -7.217 8.597 363 H ILE 50 HN ILE 50 4.284 -7.069 6.972 364 HA ILE 50 HA ILE 50 4.723 -4.761 5.300 365 HB ILE 50 HB ILE 50 2.991 -7.171 4.772 366 HG12 ILE 50 2HG1 ILE 50 5.981 -6.836 4.494 367 HG13 ILE 50 3HG1 ILE 50 5.102 -8.093 5.341 368 HG21 ILE 50 1HG2 ILE 50 3.513 -4.789 3.318 369 HG22 ILE 50 2HG2 ILE 50 4.337 -6.124 2.477 370 HG23 ILE 50 3HG2 ILE 50 2.591 -6.224 2.809 371 HD11 ILE 50 1HD1 ILE 50 5.633 -9.207 3.362 372 HD12 ILE 50 2HD1 ILE 50 4.036 -8.547 2.936 373 HD13 ILE 50 3HD1 ILE 50 5.514 -7.729 2.377 374 H ILE 51 HN ILE 51 1.771 -6.529 6.486 375 HA ILE 51 HA ILE 51 -0.014 -4.535 5.833 376 HB ILE 51 HB ILE 51 -0.270 -6.387 8.195 377 HG12 ILE 51 2HG1 ILE 51 -1.414 -7.593 5.914 378 HG13 ILE 51 3HG1 ILE 51 0.186 -7.076 5.422 379 HG21 ILE 51 1HG2 ILE 51 -2.682 -6.390 7.093 380 HG22 ILE 51 2HG2 ILE 51 -2.173 -5.130 8.242 381 HG23 ILE 51 3HG2 ILE 51 -2.142 -4.804 6.492 382 HD11 ILE 51 1HD1 ILE 51 0.565 -9.223 6.342 383 HD12 ILE 51 2HD1 ILE 51 1.001 -8.129 7.677 384 HD13 ILE 51 3HD1 ILE 51 -0.577 -8.952 7.680 385 H ASP 52 HN ASP 52 2.189 -4.866 8.613 386 HA ASP 52 HA ASP 52 0.938 -2.895 10.153 387 HB2 ASP 52 2HB ASP 52 2.383 -4.285 11.376 388 HB3 ASP 52 3HB ASP 52 3.611 -4.286 10.126 389 HD2 ASP 52 HD2 ASP 52 5.240 -3.667 11.316 390 H GLN 53 HN GLN 53 0.703 -0.838 9.195 391 HA GLN 53 HA GLN 53 3.120 0.265 7.989 392 HB2 GLN 53 2HB GLN 53 0.245 1.109 7.429 393 HB3 GLN 53 3HB GLN 53 1.679 1.650 6.579 394 HG2 GLN 53 2HG GLN 53 2.052 -0.516 5.598 395 HG3 GLN 53 3HG GLN 53 0.946 -1.301 6.708 396 HE21 GLN 53 1HE2 GLN 53 -1.261 -1.133 6.438 397 HE22 GLN 53 2HE2 GLN 53 -2.005 -0.582 4.974 398 H ASP 54 HN ASP 54 1.013 0.377 10.565 399 HA ASP 54 HA ASP 54 1.572 3.247 11.195 400 HB2 ASP 54 2HB ASP 54 -0.252 2.810 12.902 401 HB3 ASP 54 3HB ASP 54 -0.763 2.608 11.228 402 H LYS 55 HN LYS 55 3.153 0.345 11.650 403 HA LYS 55 HA LYS 55 4.229 -0.633 13.367 404 HB2 LYS 55 2HB LYS 55 5.270 2.086 14.072 405 HB3 LYS 55 3HB LYS 55 6.132 0.574 13.875 406 HG2 LYS 55 2HG LYS 55 4.884 2.227 11.629 407 HG3 LYS 55 3HG LYS 55 6.597 2.098 11.979 408 HD2 LYS 55 2HD LYS 55 5.887 -0.572 11.758 409 HD3 LYS 55 3HD LYS 55 4.796 0.168 10.604 410 HE2 LYS 55 2HE LYS 55 6.717 -0.257 9.296 411 HE3 LYS 55 3HE LYS 55 6.907 1.434 9.711 412 HZ1 LYS 55 1HZ LYS 55 8.367 0.742 11.557 413 HZ2 LYS 55 2HZ LYS 55 8.207 -0.824 11.141 414 H SER 56 HN SER 56 1.711 -0.568 14.240 415 HA SER 56 HA SER 56 1.524 0.959 16.639 416 HB2 SER 56 2HB SER 56 -0.633 -0.504 16.875 417 HB3 SER 56 3HB SER 56 -0.560 0.692 15.597 418 HG SER 56 HG SER 56 -1.310 -1.263 14.699 419 H GLY 57 HN GLY 57 2.549 -2.262 15.623 420 HA2 GLY 57 1HA GLY 57 3.996 -3.481 17.077 421 HA3 GLY 57 2HA GLY 57 3.048 -2.947 18.451 422 H PHE 58 HN PHE 58 0.716 -3.461 16.167 423 HA PHE 58 HA PHE 58 0.646 -6.319 16.200 424 HB2 PHE 58 2HB PHE 58 -1.159 -4.529 17.920 425 HB3 PHE 58 3HB PHE 58 -1.669 -6.139 17.453 426 HD1 PHE 58 HD1 PHE 58 0.822 -7.681 17.730 427 HD2 PHE 58 HD2 PHE 58 -0.791 -4.637 20.208 428 HE1 PHE 58 HE1 PHE 58 2.042 -8.641 19.703 429 HE2 PHE 58 HE2 PHE 58 0.429 -5.597 22.181 430 HZ PHE 58 HZ PHE 58 1.830 -7.587 21.904 431 H ILE 59 HN ILE 59 -2.013 -6.799 15.655 432 HA ILE 59 HA ILE 59 -2.600 -4.942 13.458 433 HB ILE 59 HB ILE 59 -2.482 -7.944 13.456 434 HG12 ILE 59 2HG1 ILE 59 -1.300 -5.769 11.710 435 HG13 ILE 59 3HG1 ILE 59 -0.443 -6.834 12.807 436 HG21 ILE 59 1HG2 ILE 59 -4.315 -8.077 12.213 437 HG22 ILE 59 2HG2 ILE 59 -4.492 -6.306 12.185 438 HG23 ILE 59 3HG2 ILE 59 -3.481 -7.118 10.966 439 HD11 ILE 59 1HD1 ILE 59 -0.145 -8.223 11.037 440 HD12 ILE 59 2HD1 ILE 59 -1.879 -8.605 11.161 441 HD13 ILE 59 3HD1 ILE 59 -1.327 -7.326 10.053 442 H GLU 60 HN GLU 60 -3.959 -3.900 15.148 443 HA GLU 60 HA GLU 60 -5.938 -5.213 16.496 444 HB2 GLU 60 2HB GLU 60 -5.891 -2.364 15.407 445 HB3 GLU 60 3HB GLU 60 -7.064 -2.944 16.572 446 HG2 GLU 60 2HG GLU 60 -5.497 -2.123 18.062 447 HG3 GLU 60 3HG GLU 60 -4.845 -3.740 17.878 448 HE2 GLU 60 HE2 GLU 60 -2.088 -2.664 16.033 449 H GLU 61 HN GLU 61 -8.372 -5.065 16.124 450 HA GLU 61 HA GLU 61 -9.113 -6.418 13.942 451 HB2 GLU 61 2HB GLU 61 -10.529 -5.983 15.952 452 HB3 GLU 61 3HB GLU 61 -10.797 -4.339 15.409 453 HG2 GLU 61 2HG GLU 61 -12.021 -5.067 13.461 454 HG3 GLU 61 3HG GLU 61 -11.479 -6.724 13.643 455 HE2 GLU 61 HE2 GLU 61 -14.241 -4.759 14.726 456 H GLU 62 HN GLU 62 -8.545 -2.918 14.219 457 HA GLU 62 HA GLU 62 -9.866 -2.227 11.850 458 HB2 GLU 62 2HB GLU 62 -7.530 -0.718 13.079 459 HB3 GLU 62 3HB GLU 62 -8.854 -0.061 12.136 460 HG2 GLU 62 2HG GLU 62 -9.888 0.370 14.114 461 HG3 GLU 62 3HG GLU 62 -10.184 -1.354 14.228 462 HE2 GLU 62 HE2 GLU 62 -9.961 -0.895 16.544 463 H GLU 63 HN GLU 63 -6.492 -3.180 12.661 464 HA GLU 63 HA GLU 63 -5.529 -2.620 10.072 465 HB2 GLU 63 2HB GLU 63 -4.456 -4.106 12.484 466 HB3 GLU 63 3HB GLU 63 -3.592 -4.173 10.961 467 HG2 GLU 63 2HG GLU 63 -3.824 -1.547 10.976 468 HG3 GLU 63 3HG GLU 63 -4.186 -1.742 12.680 469 H LEU 64 HN LEU 64 -7.123 -5.360 11.646 470 HA LEU 64 HA LEU 64 -6.283 -7.389 9.931 471 HB2 LEU 64 2HB LEU 64 -8.532 -6.939 11.821 472 HB3 LEU 64 3HB LEU 64 -8.713 -8.236 10.656 473 HG LEU 64 HG LEU 64 -6.401 -7.959 12.597 474 HD11 LEU 64 1HD1 LEU 64 -8.689 -8.422 13.601 475 HD12 LEU 64 2HD1 LEU 64 -8.643 -9.979 12.738 476 HD13 LEU 64 3HD1 LEU 64 -7.404 -9.601 13.960 477 HD21 LEU 64 1HD2 LEU 64 -6.878 -10.592 11.438 478 HD22 LEU 64 2HD2 LEU 64 -6.489 -9.364 10.209 479 HD23 LEU 64 3HD2 LEU 64 -5.375 -9.647 11.568 480 H LYS 65 HN LYS 65 -9.137 -5.162 9.780 481 HA LYS 65 HA LYS 65 -10.105 -6.241 7.371 482 HB2 LYS 65 2HB LYS 65 -11.760 -4.679 7.555 483 HB3 LYS 65 3HB LYS 65 -11.204 -4.707 9.216 484 HG2 LYS 65 2HG LYS 65 -9.509 -2.817 8.288 485 HG3 LYS 65 3HG LYS 65 -10.784 -2.600 7.106 486 HD2 LYS 65 2HD LYS 65 -11.583 -2.777 10.008 487 HD3 LYS 65 3HD LYS 65 -10.799 -1.305 9.470 488 HE2 LYS 65 2HE LYS 65 -13.033 -2.377 7.757 489 HE3 LYS 65 3HE LYS 65 -13.477 -1.664 9.295 490 HZ1 LYS 65 1HZ LYS 65 -13.405 0.010 7.529 491 HZ2 LYS 65 2HZ LYS 65 -12.268 0.355 8.643 492 H LEU 66 HN LEU 66 -7.288 -4.441 8.086 493 HA LEU 66 HA LEU 66 -7.228 -3.240 5.427 494 HB2 LEU 66 2HB LEU 66 -5.481 -2.888 7.864 495 HB3 LEU 66 3HB LEU 66 -5.164 -2.137 6.313 496 HG LEU 66 HG LEU 66 -7.648 -1.690 7.993 497 HD11 LEU 66 1HD1 LEU 66 -5.093 -0.715 8.455 498 HD12 LEU 66 2HD1 LEU 66 -5.902 0.605 7.578 499 HD13 LEU 66 3HD1 LEU 66 -6.619 -0.039 9.074 500 HD21 LEU 66 1HD2 LEU 66 -6.945 -0.982 5.231 501 HD22 LEU 66 2HD2 LEU 66 -8.528 -1.036 6.043 502 HD23 LEU 66 3HD2 LEU 66 -7.485 0.396 6.221 503 H PHE 67 HN PHE 67 -7.120 -6.195 5.948 504 HA PHE 67 HA PHE 67 -4.427 -7.002 5.643 505 HB2 PHE 67 2HB PHE 67 -6.354 -8.386 6.535 506 HB3 PHE 67 3HB PHE 67 -7.137 -8.300 4.970 507 HD1 PHE 67 HD1 PHE 67 -6.721 -9.940 3.364 508 HD2 PHE 67 HD2 PHE 67 -4.035 -9.519 6.622 509 HE1 PHE 67 HE1 PHE 67 -5.534 -12.035 2.656 510 HE2 PHE 67 HE2 PHE 67 -2.848 -11.615 5.914 511 HZ PHE 67 HZ PHE 67 -3.612 -12.847 3.940 512 H LEU 68 HN LEU 68 -6.436 -5.298 3.551 513 HA LEU 68 HA LEU 68 -5.286 -6.598 1.188 514 HB2 LEU 68 2HB LEU 68 -7.758 -4.942 1.626 515 HB3 LEU 68 3HB LEU 68 -7.069 -5.152 0.028 516 HG LEU 68 HG LEU 68 -8.291 -7.233 1.835 517 HD11 LEU 68 1HD1 LEU 68 -9.338 -7.669 -0.598 518 HD12 LEU 68 2HD1 LEU 68 -10.021 -6.510 0.567 519 HD13 LEU 68 3HD1 LEU 68 -8.969 -5.934 -0.748 520 HD21 LEU 68 1HD2 LEU 68 -6.448 -8.461 1.187 521 HD22 LEU 68 2HD2 LEU 68 -7.606 -8.828 -0.114 522 HD23 LEU 68 3HD2 LEU 68 -6.312 -7.637 -0.385 523 H GLN 69 HN GLN 69 -5.329 -3.717 3.209 524 HA GLN 69 HA GLN 69 -4.174 -2.066 1.207 525 HB2 GLN 69 2HB GLN 69 -4.800 -1.786 4.149 526 HB3 GLN 69 3HB GLN 69 -3.728 -0.622 3.398 527 HG2 GLN 69 2HG GLN 69 -5.581 -0.408 1.555 528 HG3 GLN 69 3HG GLN 69 -6.627 -1.218 2.704 529 HE21 GLN 69 1HE2 GLN 69 -7.920 0.633 2.811 530 HE22 GLN 69 2HE2 GLN 69 -7.476 2.027 3.739 531 H ASN 70 HN ASN 70 -2.980 -4.727 2.721 532 HA ASN 70 HA ASN 70 -0.487 -3.683 3.589 533 HB2 ASN 70 2HB ASN 70 0.091 -6.231 3.619 534 HB3 ASN 70 3HB ASN 70 -1.169 -5.683 4.707 535 HD21 ASN 70 1HD2 ASN 70 -1.113 -8.268 4.117 536 HD22 ASN 70 2HD2 ASN 70 -2.398 -8.739 3.055 537 H PHE 71 HN PHE 71 -1.750 -5.690 0.831 538 HA PHE 71 HA PHE 71 0.807 -5.632 -0.486 539 HB2 PHE 71 2HB PHE 71 -2.028 -6.592 -1.200 540 HB3 PHE 71 3HB PHE 71 -0.649 -6.854 -2.249 541 HD1 PHE 71 HD1 PHE 71 -2.466 -8.043 0.607 542 HD2 PHE 71 HD2 PHE 71 1.267 -8.272 -1.400 543 HE1 PHE 71 HE1 PHE 71 -1.939 -10.172 1.828 544 HE2 PHE 71 HE2 PHE 71 1.793 -10.400 -0.178 545 HZ PHE 71 HZ PHE 71 0.184 -11.325 1.422 546 H LYS 72 HN LYS 72 -1.184 -3.176 0.045 547 HA LYS 72 HA LYS 72 -0.378 -1.721 -2.191 548 HB2 LYS 72 2HB LYS 72 -2.068 -3.217 -3.310 549 HB3 LYS 72 3HB LYS 72 -3.308 -2.483 -2.314 550 HG2 LYS 72 2HG LYS 72 -3.463 -1.031 -4.098 551 HG3 LYS 72 3HG LYS 72 -2.167 -0.210 -3.251 552 HD2 LYS 72 2HD LYS 72 -0.471 -1.258 -4.644 553 HD3 LYS 72 3HD LYS 72 -1.636 -2.367 -5.340 554 HE2 LYS 72 2HE LYS 72 -2.843 -0.453 -6.398 555 HE3 LYS 72 3HE LYS 72 -1.705 0.671 -5.681 556 HZ1 LYS 72 1HZ LYS 72 -1.353 -0.997 -7.992 557 HZ2 LYS 72 2HZ LYS 72 -0.523 0.336 -7.558 558 H ALA 73 HN ALA 73 -0.686 0.491 -1.823 559 HA ALA 73 HA ALA 73 -1.752 1.079 0.819 560 HB1 ALA 73 1HB ALA 73 0.421 1.961 0.460 561 HB2 ALA 73 2HB ALA 73 0.010 2.535 -1.173 562 HB3 ALA 73 3HB ALA 73 -0.672 3.351 0.255 563 H GLY 74 HN GLY 74 -3.456 0.370 -1.603 564 HA2 GLY 74 1HA GLY 74 -5.259 2.652 -1.355 565 HA3 GLY 74 2HA GLY 74 -4.684 2.272 -2.966 566 H ALA 75 HN ALA 75 -4.934 -0.404 -0.698 567 HA ALA 75 HA ALA 75 -6.935 -1.618 -2.354 568 HB1 ALA 75 1HB ALA 75 -6.292 -2.958 0.173 569 HB2 ALA 75 2HB ALA 75 -6.064 -3.516 -1.501 570 HB3 ALA 75 3HB ALA 75 -4.835 -2.484 -0.732 571 H ARG 76 HN ARG 76 -8.798 -2.835 -1.069 572 HA ARG 76 HA ARG 76 -10.149 -0.715 0.337 573 HB2 ARG 76 2HB ARG 76 -12.193 -2.063 -0.041 574 HB3 ARG 76 3HB ARG 76 -11.316 -1.863 -1.545 575 HG2 ARG 76 2HG ARG 76 -11.547 -4.138 -1.707 576 HG3 ARG 76 3HG ARG 76 -10.155 -4.173 -0.643 577 HD2 ARG 76 2HD ARG 76 -11.472 -4.604 1.289 578 HD3 ARG 76 3HD ARG 76 -12.937 -3.987 0.551 579 HE ARG 76 HE ARG 76 -11.812 -6.341 -0.807 580 HH11 ARG 76 HH1 ARG 76 -14.375 -8.446 0.226 581 HH21 ARG 76 1HH2 ARG 76 -14.973 -6.662 1.710 582 HH22 ARG 76 2HH2 ARG 76 -14.035 -5.206 1.708 583 H ALA 77 HN ALA 77 -11.878 -1.860 2.067 584 HA ALA 77 HA ALA 77 -10.121 -3.338 3.897 585 HB1 ALA 77 1HB ALA 77 -10.696 -1.645 5.273 586 HB2 ALA 77 2HB ALA 77 -11.973 -1.081 4.167 587 HB3 ALA 77 3HB ALA 77 -12.316 -2.382 5.333 588 H LEU 78 HN LEU 78 -11.012 -5.144 5.083 589 HA LEU 78 HA LEU 78 -12.803 -6.677 3.483 590 HB2 LEU 78 2HB LEU 78 -11.429 -7.149 6.124 591 HB3 LEU 78 3HB LEU 78 -12.515 -8.315 5.396 592 HG LEU 78 HG LEU 78 -10.388 -9.053 4.790 593 HD11 LEU 78 1HD1 LEU 78 -10.260 -8.850 2.388 594 HD12 LEU 78 2HD1 LEU 78 -11.967 -8.944 2.886 595 HD13 LEU 78 3HD1 LEU 78 -11.260 -7.378 2.421 596 HD21 LEU 78 1HD2 LEU 78 -8.624 -7.596 3.836 597 HD22 LEU 78 2HD2 LEU 78 -9.668 -6.185 4.132 598 HD23 LEU 78 3HD2 LEU 78 -9.078 -7.158 5.501 599 H SER 79 HN SER 79 -14.872 -7.560 4.173 600 HA SER 79 HA SER 79 -16.533 -5.598 5.175 601 HB2 SER 79 2HB SER 79 -17.388 -7.349 3.726 602 HB3 SER 79 3HB SER 79 -16.904 -8.603 4.850 603 HG SER 79 HG SER 79 -19.279 -7.564 4.741 604 H ASP 80 HN ASP 80 -17.626 -5.367 7.220 605 HA ASP 80 HA ASP 80 -16.176 -5.616 9.428 606 HB2 ASP 80 2HB ASP 80 -19.159 -5.664 8.944 607 HB3 ASP 80 3HB ASP 80 -18.581 -5.903 10.582 608 HD2 ASP 80 HD2 ASP 80 -18.445 -2.478 8.635 609 H ALA 81 HN ALA 81 -17.996 -8.135 7.722 610 HA ALA 81 HA ALA 81 -17.891 -9.979 9.945 611 HB1 ALA 81 1HB ALA 81 -19.275 -11.336 8.628 612 HB2 ALA 81 2HB ALA 81 -19.746 -9.696 8.120 613 HB3 ALA 81 3HB ALA 81 -18.651 -10.663 7.102 614 H GLU 82 HN GLU 82 -16.329 -9.437 6.737 615 HA GLU 82 HA GLU 82 -14.867 -11.749 6.668 616 HB2 GLU 82 2HB GLU 82 -14.463 -8.979 5.523 617 HB3 GLU 82 3HB GLU 82 -13.211 -10.186 5.312 618 HG2 GLU 82 2HG GLU 82 -14.826 -11.732 4.248 619 HG3 GLU 82 3HG GLU 82 -16.138 -10.608 4.544 620 HE2 GLU 82 HE2 GLU 82 -13.909 -8.481 2.226 621 H THR 83 HN THR 83 -14.034 -8.532 8.112 622 HA THR 83 HA THR 83 -11.463 -9.316 8.975 623 HB THR 83 HB THR 83 -13.396 -7.109 9.858 624 HG1 THR 83 HG1 THR 83 -12.740 -6.711 7.739 625 HG21 THR 83 1HG2 THR 83 -11.365 -7.676 11.432 626 HG22 THR 83 2HG2 THR 83 -10.359 -7.087 10.087 627 HG23 THR 83 3HG2 THR 83 -11.534 -5.998 10.863 628 H LYS 84 HN LYS 84 -14.637 -10.132 10.090 629 HA LYS 84 HA LYS 84 -13.795 -10.580 12.804 630 HB2 LYS 84 2HB LYS 84 -16.322 -10.692 11.256 631 HB3 LYS 84 3HB LYS 84 -16.199 -11.828 12.584 632 HG2 LYS 84 2HG LYS 84 -15.398 -8.942 13.034 633 HG3 LYS 84 3HG LYS 84 -17.099 -9.361 13.005 634 HD2 LYS 84 2HD LYS 84 -15.110 -10.874 14.747 635 HD3 LYS 84 3HD LYS 84 -15.896 -9.411 15.307 636 HE2 LYS 84 2HE LYS 84 -17.219 -12.039 14.514 637 HE3 LYS 84 3HE LYS 84 -17.235 -11.269 16.088 638 HZ1 LYS 84 1HZ LYS 84 -19.225 -10.973 14.386 639 HZ2 LYS 84 2HZ LYS 84 -18.822 -9.773 15.410 640 H ALA 85 HN ALA 85 -14.421 -12.489 9.815 641 HA ALA 85 HA ALA 85 -14.010 -14.989 11.070 642 HB1 ALA 85 1HB ALA 85 -15.002 -14.090 8.664 643 HB2 ALA 85 2HB ALA 85 -13.426 -14.762 8.179 644 HB3 ALA 85 3HB ALA 85 -14.607 -15.786 9.031 645 H PHE 86 HN PHE 86 -11.922 -12.747 9.141 646 HA PHE 86 HA PHE 86 -9.672 -14.420 9.203 647 HB2 PHE 86 2HB PHE 86 -10.168 -12.430 7.674 648 HB3 PHE 86 3HB PHE 86 -9.974 -11.360 9.048 649 HD1 PHE 86 HD1 PHE 86 -7.826 -14.296 8.448 650 HD2 PHE 86 HD2 PHE 86 -8.179 -10.078 8.144 651 HE1 PHE 86 HE1 PHE 86 -5.368 -14.124 7.968 652 HE2 PHE 86 HE2 PHE 86 -5.721 -9.906 7.665 653 HZ PHE 86 HZ PHE 86 -4.345 -11.932 7.582 654 H LEU 87 HN LEU 87 -11.198 -12.476 11.645 655 HA LEU 87 HA LEU 87 -8.792 -11.938 13.107 656 HB2 LEU 87 2HB LEU 87 -10.530 -10.356 13.279 657 HB3 LEU 87 3HB LEU 87 -11.732 -11.580 13.638 658 HG LEU 87 HG LEU 87 -10.561 -12.008 15.819 659 HD11 LEU 87 1HD1 LEU 87 -9.091 -9.418 15.318 660 HD12 LEU 87 2HD1 LEU 87 -8.881 -10.581 16.649 661 HD13 LEU 87 3HD1 LEU 87 -8.366 -11.012 15.000 662 HD21 LEU 87 1HD2 LEU 87 -12.157 -9.701 15.040 663 HD22 LEU 87 2HD2 LEU 87 -12.295 -10.767 16.458 664 HD23 LEU 87 3HD2 LEU 87 -11.176 -9.384 16.491 665 H LYS 88 HN LYS 88 -11.742 -13.953 13.804 666 HA LYS 88 HA LYS 88 -10.525 -15.329 15.908 667 HB2 LYS 88 2HB LYS 88 -13.035 -15.428 14.395 668 HB3 LYS 88 3HB LYS 88 -12.508 -17.007 14.940 669 HG2 LYS 88 2HG LYS 88 -12.139 -14.978 17.035 670 HG3 LYS 88 3HG LYS 88 -13.804 -15.035 16.491 671 HD2 LYS 88 2HD LYS 88 -12.194 -17.489 17.341 672 HD3 LYS 88 3HD LYS 88 -13.295 -16.624 18.394 673 HE2 LYS 88 2HE LYS 88 -14.033 -18.042 15.790 674 HE3 LYS 88 3HE LYS 88 -14.433 -18.579 17.410 675 HZ1 LYS 88 1HZ LYS 88 -15.386 -15.996 17.263 676 HZ2 LYS 88 2HZ LYS 88 -15.778 -16.637 15.818 677 H ALA 89 HN ALA 89 -10.154 -15.545 12.452 678 HA ALA 89 HA ALA 89 -9.452 -18.272 12.298 679 HB1 ALA 89 1HB ALA 89 -8.862 -15.841 10.568 680 HB2 ALA 89 2HB ALA 89 -8.409 -17.503 10.117 681 HB3 ALA 89 3HB ALA 89 -10.124 -17.073 10.322 682 H GLY 90 HN GLY 90 -7.773 -15.312 13.299 683 HA2 GLY 90 1HA GLY 90 -5.253 -16.844 13.499 684 HA3 GLY 90 2HA GLY 90 -5.376 -15.105 13.322 685 H ASP 91 HN ASP 91 -6.679 -13.930 15.127 686 HA ASP 91 HA ASP 91 -5.428 -14.200 17.469 687 HB2 ASP 91 2HB ASP 91 -7.324 -12.527 16.518 688 HB3 ASP 91 3HB ASP 91 -8.355 -13.485 17.562 689 HD2 ASP 91 HD2 ASP 91 -8.529 -11.361 18.455 690 H SER 92 HN SER 92 -5.438 -15.785 19.075 691 HA SER 92 HA SER 92 -7.626 -17.688 18.984 692 HB2 SER 92 2HB SER 92 -4.747 -17.793 19.771 693 HB3 SER 92 3HB SER 92 -5.827 -18.768 20.747 694 HG SER 92 HG SER 92 -4.877 -19.274 18.243 695 H ASP 93 HN ASP 93 -6.531 -15.013 20.641 696 HA ASP 93 HA ASP 93 -7.760 -15.779 23.250 697 HB2 ASP 93 2HB ASP 93 -6.494 -13.940 24.114 698 HB3 ASP 93 3HB ASP 93 -5.431 -14.736 22.955 699 H GLY 94 HN GLY 94 -8.482 -14.032 20.278 700 HA2 GLY 94 1HA GLY 94 -10.143 -12.628 19.708 701 HA3 GLY 94 2HA GLY 94 -11.081 -13.428 20.954 702 H ASP 95 HN ASP 95 -8.213 -11.181 20.968 703 HA ASP 95 HA ASP 95 -9.508 -9.761 23.123 704 HB2 ASP 95 2HB ASP 95 -7.310 -8.613 23.353 705 HB3 ASP 95 3HB ASP 95 -7.145 -10.356 23.424 706 HD2 ASP 95 HD2 ASP 95 -4.696 -9.352 22.577 707 H GLY 96 HN GLY 96 -8.768 -9.611 19.688 708 HA2 GLY 96 1HA GLY 96 -10.114 -8.024 18.425 709 HA3 GLY 96 2HA GLY 96 -9.685 -6.799 19.602 710 H LYS 97 HN LYS 97 -6.906 -8.541 19.496 711 HA LYS 97 HA LYS 97 -5.898 -7.108 17.139 712 HB2 LYS 97 2HB LYS 97 -4.340 -7.480 19.705 713 HB3 LYS 97 3HB LYS 97 -3.920 -6.492 18.320 714 HG2 LYS 97 2HG LYS 97 -6.063 -5.146 18.758 715 HG3 LYS 97 3HG LYS 97 -6.234 -6.037 20.257 716 HD2 LYS 97 2HD LYS 97 -3.711 -4.477 19.542 717 HD3 LYS 97 3HD LYS 97 -5.044 -3.769 20.433 718 HE2 LYS 97 2HE LYS 97 -4.723 -5.200 22.310 719 HE3 LYS 97 3HE LYS 97 -3.816 -6.377 21.381 720 HZ1 LYS 97 1HZ LYS 97 -2.855 -4.001 22.675 721 HZ2 LYS 97 2HZ LYS 97 -2.015 -5.308 22.185 722 H ILE 98 HN ILE 98 -4.090 -8.141 16.044 723 HA ILE 98 HA ILE 98 -3.840 -10.981 16.741 724 HB ILE 98 HB ILE 98 -4.602 -9.695 14.170 725 HG12 ILE 98 2HG1 ILE 98 -5.398 -12.110 15.776 726 HG13 ILE 98 3HG1 ILE 98 -6.384 -10.772 15.222 727 HG21 ILE 98 1HG2 ILE 98 -2.942 -12.227 14.322 728 HG22 ILE 98 2HG2 ILE 98 -3.769 -11.605 12.873 729 HG23 ILE 98 3HG2 ILE 98 -2.443 -10.673 13.610 730 HD11 ILE 98 1HD1 ILE 98 -6.986 -12.517 13.749 731 HD12 ILE 98 2HD1 ILE 98 -5.781 -11.608 12.806 732 HD13 ILE 98 3HD1 ILE 98 -5.314 -13.117 13.627 733 H GLY 99 HN GLY 99 -1.814 -11.181 17.547 734 HA2 GLY 99 1HA GLY 99 0.301 -9.415 16.729 735 HA3 GLY 99 2HA GLY 99 0.394 -10.754 17.855 736 H ILE 100 HN ILE 100 2.516 -11.132 16.686 737 HA ILE 100 HA ILE 100 2.311 -12.115 13.994 738 HB ILE 100 HB ILE 100 4.251 -10.853 15.312 739 HG12 ILE 100 2HG1 ILE 100 4.232 -11.149 12.929 740 HG13 ILE 100 3HG1 ILE 100 5.800 -11.636 13.542 741 HG21 ILE 100 1HG2 ILE 100 4.462 -12.936 16.816 742 HG22 ILE 100 2HG2 ILE 100 5.283 -13.680 15.423 743 HG23 ILE 100 3HG2 ILE 100 5.947 -12.204 16.163 744 HD11 ILE 100 1HD1 ILE 100 3.709 -13.260 12.216 745 HD12 ILE 100 2HD1 ILE 100 5.463 -13.541 12.333 746 HD13 ILE 100 3HD1 ILE 100 4.394 -14.023 13.672 747 H ASP 101 HN ASP 101 2.582 -13.417 17.324 748 HA ASP 101 HA ASP 101 3.055 -16.043 16.505 749 HB2 ASP 101 2HB ASP 101 1.547 -15.477 19.048 750 HB3 ASP 101 3HB ASP 101 2.883 -16.579 18.779 751 HD2 ASP 101 HD2 ASP 101 5.320 -14.828 19.439 752 H GLU 102 HN GLU 102 0.268 -13.960 16.489 753 HA GLU 102 HA GLU 102 -1.548 -16.221 16.524 754 HB2 GLU 102 2HB GLU 102 -1.836 -13.255 16.946 755 HB3 GLU 102 3HB GLU 102 -3.224 -14.125 16.325 756 HG2 GLU 102 2HG GLU 102 -3.509 -15.367 18.276 757 HG3 GLU 102 3HG GLU 102 -1.799 -15.365 18.662 758 H PHE 103 HN PHE 103 -0.338 -13.525 14.481 759 HA PHE 103 HA PHE 103 -2.108 -14.119 12.332 760 HB2 PHE 103 2HB PHE 103 -1.211 -11.867 12.587 761 HB3 PHE 103 3HB PHE 103 0.419 -12.465 12.826 762 HD1 PHE 103 HD1 PHE 103 1.897 -12.654 11.015 763 HD2 PHE 103 HD2 PHE 103 -2.246 -12.123 10.264 764 HE1 PHE 103 HE1 PHE 103 2.384 -12.302 8.578 765 HE2 PHE 103 HE2 PHE 103 -1.759 -11.771 7.827 766 HZ PHE 103 HZ PHE 103 0.550 -11.865 7.013 767 H ALA 104 HN ALA 104 1.043 -15.272 13.435 768 HA ALA 104 HA ALA 104 1.670 -16.403 10.842 769 HB1 ALA 104 1HB ALA 104 3.125 -16.768 13.484 770 HB2 ALA 104 2HB ALA 104 3.773 -16.961 11.837 771 HB3 ALA 104 3HB ALA 104 3.353 -15.341 12.444 772 H ALA 105 HN ALA 105 -0.283 -17.159 13.531 773 HA ALA 105 HA ALA 105 0.219 -19.983 13.535 774 HB1 ALA 105 1HB ALA 105 -0.663 -18.364 15.427 775 HB2 ALA 105 2HB ALA 105 -2.246 -18.680 14.677 776 HB3 ALA 105 3HB ALA 105 -1.278 -20.031 15.316 777 H MET 106 HN MET 106 -2.495 -17.809 12.474 778 HA MET 106 HA MET 106 -4.111 -19.710 11.437 779 HB2 MET 106 2HB MET 106 -4.878 -17.825 9.877 780 HB3 MET 106 3HB MET 106 -4.783 -17.362 11.564 781 HG2 MET 106 2HG MET 106 -2.330 -16.592 10.984 782 HG3 MET 106 3HG MET 106 -2.860 -16.669 9.315 783 HE1 MET 106 1HE MET 106 -6.081 -16.103 10.706 784 HE2 MET 106 2HE MET 106 -6.279 -14.481 10.000 785 HE3 MET 106 3HE MET 106 -5.633 -15.810 9.009 786 H ILE 107 HN ILE 107 -0.961 -18.741 10.296 787 HA ILE 107 HA ILE 107 -1.477 -20.020 7.709 788 HB ILE 107 HB ILE 107 0.919 -18.951 7.348 789 HG12 ILE 107 2HG1 ILE 107 -0.306 -17.146 9.456 790 HG13 ILE 107 3HG1 ILE 107 1.120 -18.140 9.670 791 HG21 ILE 107 1HG2 ILE 107 -0.115 -17.257 6.121 792 HG22 ILE 107 2HG2 ILE 107 -1.346 -18.541 6.197 793 HG23 ILE 107 3HG2 ILE 107 -1.473 -17.121 7.263 794 HD11 ILE 107 1HD1 ILE 107 1.439 -15.628 9.014 795 HD12 ILE 107 2HD1 ILE 107 2.417 -16.849 8.167 796 HD13 ILE 107 3HD1 ILE 107 0.980 -16.157 7.378 797 H LYS 108 HN LYS 108 0.528 -20.059 10.680 798 HA LYS 108 HA LYS 108 2.233 -22.127 9.778 799 HB2 LYS 108 2HB LYS 108 2.999 -20.659 11.496 800 HB3 LYS 108 3HB LYS 108 1.600 -20.975 12.502 801 HG2 LYS 108 2HG LYS 108 2.354 -23.105 13.140 802 HG3 LYS 108 3HG LYS 108 3.304 -23.326 11.684 803 HD2 LYS 108 2HD LYS 108 4.816 -21.408 12.555 804 HD3 LYS 108 3HD LYS 108 3.974 -21.572 14.083 805 HE2 LYS 108 2HE LYS 108 4.704 -23.883 14.336 806 HE3 LYS 108 3HE LYS 108 5.312 -23.936 12.693 807 HZ1 LYS 108 1HZ LYS 108 6.948 -23.460 14.639 808 HZ2 LYS 108 2HZ LYS 108 7.127 -22.616 13.258 809 H GLY 109 HN GLY 109 -1.083 -22.039 10.654 810 HA2 GLY 109 1HA GLY 109 -1.723 -24.589 10.105 811 HA3 GLY 109 2HA GLY 109 -1.180 -24.712 11.766 Start of MODEL 13 1 H SER 0 HN SER 0 0.677 -1.034 2.151 2 HA SER 0 HA SER 0 1.830 0.906 0.435 3 HB2 SER 0 2HB SER 0 3.056 1.784 2.213 4 HB3 SER 0 3HB SER 0 3.088 0.266 3.089 5 HG SER 0 HG SER 0 4.449 0.339 0.590 6 H MET 1 HN MET 1 2.861 -0.158 -1.267 7 HA MET 1 HA MET 1 2.602 -2.942 -1.361 8 HB2 MET 1 2HB MET 1 2.690 -1.058 -3.247 9 HB3 MET 1 3HB MET 1 4.423 -1.314 -3.186 10 HG2 MET 1 2HG MET 1 3.891 -2.894 -4.803 11 HG3 MET 1 3HG MET 1 3.703 -3.901 -3.382 12 HE1 MET 1 1HE MET 1 1.216 -5.604 -3.977 13 HE2 MET 1 2HE MET 1 1.046 -5.132 -5.685 14 HE3 MET 1 3HE MET 1 2.665 -5.292 -4.963 15 H ALA 2 HN ALA 2 3.865 -3.381 0.712 16 HA ALA 2 HA ALA 2 6.732 -3.104 0.464 17 HB1 ALA 2 1HB ALA 2 6.082 -4.669 2.714 18 HB2 ALA 2 2HB ALA 2 6.441 -2.926 2.688 19 HB3 ALA 2 3HB ALA 2 4.757 -3.489 2.569 20 H PHE 3 HN PHE 3 4.208 -5.691 0.524 21 HA PHE 3 HA PHE 3 5.859 -7.875 0.472 22 HB2 PHE 3 2HB PHE 3 3.121 -7.077 -0.546 23 HB3 PHE 3 3HB PHE 3 3.749 -8.596 -1.153 24 HD1 PHE 3 HD1 PHE 3 4.607 -10.278 0.655 25 HD2 PHE 3 HD2 PHE 3 1.987 -7.043 1.478 26 HE1 PHE 3 HE1 PHE 3 3.839 -11.433 2.746 27 HE2 PHE 3 HE2 PHE 3 1.218 -8.198 3.570 28 HZ PHE 3 HZ PHE 3 2.154 -10.379 4.179 29 H ALA 4 HN ALA 4 5.411 -5.418 -1.968 30 HA ALA 4 HA ALA 4 5.806 -6.812 -4.301 31 HB1 ALA 4 1HB ALA 4 7.289 -4.322 -4.300 32 HB2 ALA 4 2HB ALA 4 5.740 -4.708 -5.088 33 HB3 ALA 4 3HB ALA 4 5.762 -4.123 -3.407 34 H SER 5 HN SER 5 7.963 -6.328 -1.590 35 HA SER 5 HA SER 5 10.231 -7.063 -3.239 36 HB2 SER 5 2HB SER 5 10.422 -5.131 -1.639 37 HB3 SER 5 3HB SER 5 10.138 -6.232 -0.305 38 HG SER 5 HG SER 5 12.457 -5.699 -0.896 39 H VAL 6 HN VAL 6 8.330 -8.067 -0.333 40 HA VAL 6 HA VAL 6 9.855 -10.353 0.229 41 HB VAL 6 HB VAL 6 6.924 -9.914 0.804 42 HG11 VAL 6 1HG1 VAL 6 7.117 -11.489 2.457 43 HG12 VAL 6 2HG1 VAL 6 8.333 -12.117 1.319 44 HG13 VAL 6 3HG1 VAL 6 8.844 -11.159 2.729 45 HG21 VAL 6 1HG2 VAL 6 7.951 -8.938 3.015 46 HG22 VAL 6 2HG2 VAL 6 9.357 -8.595 1.978 47 HG23 VAL 6 3HG2 VAL 6 7.766 -7.902 1.580 48 H LEU 7 HN LEU 7 6.578 -10.082 -1.334 49 HA LEU 7 HA LEU 7 7.189 -12.621 -2.670 50 HB2 LEU 7 2HB LEU 7 4.525 -11.316 -2.095 51 HB3 LEU 7 3HB LEU 7 4.759 -12.840 -2.929 52 HG LEU 7 HG LEU 7 5.816 -12.459 -0.135 53 HD11 LEU 7 1HD1 LEU 7 3.014 -12.453 -0.938 54 HD12 LEU 7 2HD1 LEU 7 3.402 -13.788 0.174 55 HD13 LEU 7 3HD1 LEU 7 3.759 -12.109 0.642 56 HD21 LEU 7 1HD2 LEU 7 6.029 -14.728 -0.064 57 HD22 LEU 7 2HD2 LEU 7 4.669 -15.009 -1.178 58 HD23 LEU 7 3HD2 LEU 7 6.243 -14.472 -1.812 59 H LYS 8 HN LYS 8 5.575 -12.616 -4.834 60 HA LYS 8 HA LYS 8 6.781 -10.513 -6.425 61 HB2 LYS 8 2HB LYS 8 6.763 -13.042 -6.973 62 HB3 LYS 8 3HB LYS 8 5.096 -12.796 -7.450 63 HG2 LYS 8 2HG LYS 8 6.041 -10.784 -8.869 64 HG3 LYS 8 3HG LYS 8 7.597 -11.560 -8.648 65 HD2 LYS 8 2HD LYS 8 5.187 -13.107 -9.682 66 HD3 LYS 8 3HD LYS 8 6.217 -12.192 -10.765 67 HE2 LYS 8 2HE LYS 8 7.157 -14.374 -10.810 68 HE3 LYS 8 3HE LYS 8 8.209 -13.495 -9.718 69 HZ1 LYS 8 1HZ LYS 8 6.083 -15.418 -8.986 70 HZ2 LYS 8 2HZ LYS 8 7.664 -15.487 -8.603 71 H ASP 9 HN ASP 9 5.736 -8.673 -6.948 72 HA ASP 9 HA ASP 9 3.352 -7.967 -5.962 73 HB2 ASP 9 2HB ASP 9 3.258 -6.338 -7.972 74 HB3 ASP 9 3HB ASP 9 4.677 -6.262 -6.946 75 HD2 ASP 9 HD2 ASP 9 6.824 -6.824 -8.332 76 H ALA 10 HN ALA 10 4.087 -10.000 -8.771 77 HA ALA 10 HA ALA 10 1.496 -9.768 -9.963 78 HB1 ALA 10 1HB ALA 10 3.740 -10.297 -11.104 79 HB2 ALA 10 2HB ALA 10 3.567 -11.936 -10.432 80 HB3 ALA 10 3HB ALA 10 2.348 -11.306 -11.565 81 H GLU 11 HN GLU 11 3.214 -12.025 -7.748 82 HA GLU 11 HA GLU 11 1.216 -13.967 -7.790 83 HB2 GLU 11 2HB GLU 11 3.472 -13.290 -5.880 84 HB3 GLU 11 3HB GLU 11 2.341 -14.573 -5.494 85 HG2 GLU 11 2HG GLU 11 3.726 -14.487 -8.199 86 HG3 GLU 11 3HG GLU 11 4.529 -15.182 -6.805 87 HE2 GLU 11 HE2 GLU 11 2.405 -17.841 -6.471 88 H VAL 12 HN VAL 12 1.975 -11.337 -5.395 89 HA VAL 12 HA VAL 12 -0.219 -11.852 -3.748 90 HB VAL 12 HB VAL 12 0.329 -9.833 -2.691 91 HG11 VAL 12 1HG1 VAL 12 3.003 -10.527 -3.899 92 HG12 VAL 12 2HG1 VAL 12 2.600 -10.096 -2.220 93 HG13 VAL 12 3HG1 VAL 12 2.139 -11.690 -2.864 94 HG21 VAL 12 1HG2 VAL 12 0.163 -8.299 -4.558 95 HG22 VAL 12 2HG2 VAL 12 1.731 -8.067 -3.748 96 HG23 VAL 12 3HG2 VAL 12 1.647 -8.962 -5.284 97 H THR 13 HN THR 13 0.219 -9.740 -6.636 98 HA THR 13 HA THR 13 -2.108 -8.316 -6.564 99 HB THR 13 HB THR 13 -0.304 -9.443 -8.712 100 HG1 THR 13 HG1 THR 13 -1.391 -6.841 -7.890 101 HG21 THR 13 1HG2 THR 13 -1.935 -7.608 -10.032 102 HG22 THR 13 2HG2 THR 13 -2.009 -9.372 -10.258 103 HG23 THR 13 3HG2 THR 13 -3.117 -8.573 -9.117 104 H ALA 14 HN ALA 14 -1.677 -11.641 -7.939 105 HA ALA 14 HA ALA 14 -4.335 -11.941 -8.704 106 HB1 ALA 14 1HB ALA 14 -1.983 -13.711 -8.157 107 HB2 ALA 14 2HB ALA 14 -3.585 -14.480 -8.253 108 HB3 ALA 14 3HB ALA 14 -2.965 -13.541 -9.632 109 H ALA 15 HN ALA 15 -2.743 -12.063 -5.555 110 HA ALA 15 HA ALA 15 -4.801 -13.551 -4.269 111 HB1 ALA 15 1HB ALA 15 -2.856 -11.659 -2.926 112 HB2 ALA 15 2HB ALA 15 -3.532 -13.188 -2.315 113 HB3 ALA 15 3HB ALA 15 -2.311 -13.210 -3.610 114 H LEU 16 HN LEU 16 -4.307 -10.206 -5.248 115 HA LEU 16 HA LEU 16 -6.288 -9.216 -3.397 116 HB2 LEU 16 2HB LEU 16 -4.563 -7.988 -5.533 117 HB3 LEU 16 3HB LEU 16 -5.877 -7.094 -4.796 118 HG LEU 16 HG LEU 16 -3.843 -8.393 -3.017 119 HD11 LEU 16 1HD1 LEU 16 -3.090 -6.624 -5.082 120 HD12 LEU 16 2HD1 LEU 16 -3.069 -5.680 -3.573 121 HD13 LEU 16 3HD1 LEU 16 -2.117 -7.179 -3.698 122 HD21 LEU 16 1HD2 LEU 16 -5.107 -7.359 -1.510 123 HD22 LEU 16 2HD2 LEU 16 -4.475 -5.818 -2.137 124 HD23 LEU 16 3HD2 LEU 16 -6.004 -6.476 -2.769 125 H ASP 17 HN ASP 17 -6.030 -10.371 -6.740 126 HA ASP 17 HA ASP 17 -8.491 -9.240 -7.531 127 HB2 ASP 17 2HB ASP 17 -6.445 -10.113 -8.955 128 HB3 ASP 17 3HB ASP 17 -7.208 -11.683 -8.799 129 HD2 ASP 17 HD2 ASP 17 -9.613 -11.433 -10.742 130 H GLY 18 HN GLY 18 -7.492 -11.942 -5.603 131 HA2 GLY 18 1HA GLY 18 -9.818 -13.594 -6.210 132 HA3 GLY 18 2HA GLY 18 -8.485 -13.973 -5.137 133 H CYS 19 HN CYS 19 -8.863 -11.008 -4.060 134 HA CYS 19 HA CYS 19 -11.202 -11.626 -2.409 135 HB2 CYS 19 2HB CYS 19 -10.030 -10.633 -0.470 136 HB3 CYS 19 3HB CYS 19 -9.249 -12.088 -1.056 137 HG CYS 19 HG CYS 19 -7.113 -11.065 -1.088 138 H LYS 20 HN LYS 20 -10.689 -9.992 -4.939 139 HA LYS 20 HA LYS 20 -10.678 -7.265 -4.126 140 HB2 LYS 20 2HB LYS 20 -10.039 -8.497 -6.414 141 HB3 LYS 20 3HB LYS 20 -11.702 -8.105 -6.802 142 HG2 LYS 20 2HG LYS 20 -11.160 -5.696 -5.989 143 HG3 LYS 20 3HG LYS 20 -9.475 -6.179 -6.022 144 HD2 LYS 20 2HD LYS 20 -11.407 -6.225 -8.388 145 HD3 LYS 20 3HD LYS 20 -10.093 -5.091 -8.151 146 HE2 LYS 20 2HE LYS 20 -8.472 -7.049 -8.178 147 HE3 LYS 20 3HE LYS 20 -9.816 -8.106 -8.564 148 HZ1 LYS 20 1HZ LYS 20 -9.752 -7.423 -10.696 149 HZ2 LYS 20 2HZ LYS 20 -9.733 -5.841 -10.310 150 H ALA 21 HN ALA 21 -13.173 -9.702 -5.017 151 HA ALA 21 HA ALA 21 -15.310 -7.842 -4.912 152 HB1 ALA 21 1HB ALA 21 -15.841 -10.721 -4.401 153 HB2 ALA 21 2HB ALA 21 -16.545 -9.624 -5.613 154 HB3 ALA 21 3HB ALA 21 -14.950 -10.361 -5.899 155 H ALA 22 HN ALA 22 -17.089 -7.899 -3.281 156 HA ALA 22 HA ALA 22 -15.941 -7.836 -0.648 157 HB1 ALA 22 1HB ALA 22 -18.605 -7.331 -0.324 158 HB2 ALA 22 2HB ALA 22 -17.407 -6.099 -0.788 159 HB3 ALA 22 3HB ALA 22 -18.392 -6.896 -2.037 160 H GLY 23 HN GLY 23 -16.875 -9.004 1.208 161 HA2 GLY 23 1HA GLY 23 -17.267 -11.008 2.178 162 HA3 GLY 23 2HA GLY 23 -18.748 -10.945 1.243 163 H SER 24 HN SER 24 -15.579 -11.063 -0.372 164 HA SER 24 HA SER 24 -16.080 -13.876 -0.942 165 HB2 SER 24 2HB SER 24 -16.609 -12.054 -2.813 166 HB3 SER 24 3HB SER 24 -14.872 -12.070 -3.041 167 HG SER 24 HG SER 24 -14.966 -14.353 -3.450 168 H PHE 25 HN PHE 25 -14.206 -11.971 0.795 169 HA PHE 25 HA PHE 25 -11.620 -12.677 -0.270 170 HB2 PHE 25 2HB PHE 25 -11.827 -10.504 0.785 171 HB3 PHE 25 3HB PHE 25 -12.799 -11.145 2.095 172 HD1 PHE 25 HD1 PHE 25 -9.594 -12.549 0.872 173 HD2 PHE 25 HD2 PHE 25 -11.564 -10.393 3.951 174 HE1 PHE 25 HE1 PHE 25 -7.543 -12.726 2.308 175 HE2 PHE 25 HE2 PHE 25 -9.513 -10.570 5.387 176 HZ PHE 25 HZ PHE 25 -7.527 -11.734 4.548 177 H ASP 26 HN ASP 26 -10.529 -14.520 0.219 178 HA ASP 26 HA ASP 26 -11.401 -15.902 2.636 179 HB2 ASP 26 2HB ASP 26 -10.686 -16.864 -0.126 180 HB3 ASP 26 3HB ASP 26 -10.225 -17.892 1.216 181 HD2 ASP 26 HD2 ASP 26 -12.047 -18.449 -0.770 182 H HIS 27 HN HIS 27 -9.745 -14.983 4.003 183 HA HIS 27 HA HIS 27 -7.217 -14.359 3.435 184 HB2 HIS 27 2HB HIS 27 -6.727 -15.197 5.848 185 HB3 HIS 27 3HB HIS 27 -7.851 -13.877 5.590 186 HD1 HIS 27 HD1 HIS 27 -7.619 -17.333 6.933 187 HD2 HIS 27 HD2 HIS 27 -10.638 -14.601 5.924 188 HE1 HIS 27 HE1 HIS 27 -9.762 -18.205 8.010 189 H LYS 28 HN LYS 28 -8.199 -17.660 4.617 190 HA LYS 28 HA LYS 28 -5.853 -18.941 4.437 191 HB2 LYS 28 2HB LYS 28 -8.669 -19.819 3.847 192 HB3 LYS 28 3HB LYS 28 -7.342 -20.943 3.641 193 HG2 LYS 28 2HG LYS 28 -6.747 -20.873 5.940 194 HG3 LYS 28 3HG LYS 28 -7.552 -19.339 6.205 195 HD2 LYS 28 2HD LYS 28 -8.740 -21.434 7.130 196 HD3 LYS 28 3HD LYS 28 -9.724 -20.330 6.190 197 HE2 LYS 28 2HE LYS 28 -10.150 -22.661 5.489 198 HE3 LYS 28 3HE LYS 28 -9.436 -21.754 4.170 199 HZ1 LYS 28 1HZ LYS 28 -8.304 -23.861 4.398 200 HZ2 LYS 28 2HZ LYS 28 -7.251 -22.701 4.840 201 H LYS 29 HN LYS 29 -8.105 -18.299 1.673 202 HA LYS 29 HA LYS 29 -6.525 -19.561 -0.247 203 HB2 LYS 29 2HB LYS 29 -8.794 -17.630 -0.229 204 HB3 LYS 29 3HB LYS 29 -7.858 -17.735 -1.707 205 HG2 LYS 29 2HG LYS 29 -9.837 -19.346 -1.556 206 HG3 LYS 29 3HG LYS 29 -8.300 -20.087 -1.955 207 HD2 LYS 29 2HD LYS 29 -8.060 -21.077 0.170 208 HD3 LYS 29 3HD LYS 29 -9.083 -19.891 0.957 209 HE2 LYS 29 2HE LYS 29 -10.545 -21.709 0.896 210 HE3 LYS 29 3HE LYS 29 -10.984 -20.917 -0.604 211 HZ1 LYS 29 1HZ LYS 29 -10.520 -22.941 -1.483 212 HZ2 LYS 29 2HZ LYS 29 -8.954 -22.503 -1.397 213 H PHE 30 HN PHE 30 -6.757 -16.059 0.691 214 HA PHE 30 HA PHE 30 -4.993 -14.974 -1.006 215 HB2 PHE 30 2HB PHE 30 -6.333 -14.128 1.151 216 HB3 PHE 30 3HB PHE 30 -4.847 -14.481 2.010 217 HD1 PHE 30 HD1 PHE 30 -2.692 -13.513 0.533 218 HD2 PHE 30 HD2 PHE 30 -6.613 -11.897 0.697 219 HE1 PHE 30 HE1 PHE 30 -1.790 -11.259 -0.103 220 HE2 PHE 30 HE2 PHE 30 -5.710 -9.643 0.061 221 HZ PHE 30 HZ PHE 30 -3.309 -9.351 -0.332 222 H PHE 31 HN PHE 31 -4.011 -16.226 2.271 223 HA PHE 31 HA PHE 31 -1.296 -15.987 1.839 224 HB2 PHE 31 2HB PHE 31 -3.081 -17.860 3.489 225 HB3 PHE 31 3HB PHE 31 -1.337 -17.908 3.652 226 HD1 PHE 31 HD1 PHE 31 -3.781 -17.048 5.563 227 HD2 PHE 31 HD2 PHE 31 -0.713 -14.994 3.472 228 HE1 PHE 31 HE1 PHE 31 -3.887 -15.183 7.239 229 HE2 PHE 31 HE2 PHE 31 -0.818 -13.129 5.149 230 HZ PHE 31 HZ PHE 31 -2.404 -13.246 7.012 231 H LYS 32 HN LYS 32 -3.579 -18.620 0.985 232 HA LYS 32 HA LYS 32 -1.530 -20.463 0.304 233 HB2 LYS 32 2HB LYS 32 -3.745 -21.202 0.994 234 HB3 LYS 32 3HB LYS 32 -4.487 -20.375 -0.361 235 HG2 LYS 32 2HG LYS 32 -2.288 -22.361 -0.942 236 HG3 LYS 32 3HG LYS 32 -3.861 -22.984 -0.483 237 HD2 LYS 32 2HD LYS 32 -3.729 -20.837 -2.606 238 HD3 LYS 32 3HD LYS 32 -3.270 -22.470 -3.044 239 HE2 LYS 32 2HE LYS 32 -5.903 -21.828 -1.643 240 HE3 LYS 32 3HE LYS 32 -5.748 -21.859 -3.388 241 HZ1 LYS 32 1HZ LYS 32 -5.785 -24.097 -3.356 242 HZ2 LYS 32 2HZ LYS 32 -4.630 -24.211 -2.213 243 H ALA 33 HN ALA 33 -2.932 -17.654 -1.212 244 HA ALA 33 HA ALA 33 -2.362 -18.485 -3.892 245 HB1 ALA 33 1HB ALA 33 -2.594 -15.647 -3.666 246 HB2 ALA 33 2HB ALA 33 -3.808 -16.808 -4.256 247 HB3 ALA 33 3HB ALA 33 -3.760 -16.370 -2.531 248 H CYS 34 HN CYS 34 -0.998 -15.899 -1.721 249 HA CYS 34 HA CYS 34 1.233 -15.499 -3.369 250 HB2 CYS 34 2HB CYS 34 2.142 -14.265 -1.357 251 HB3 CYS 34 3HB CYS 34 0.588 -13.711 -1.949 252 HG CYS 34 HG CYS 34 0.024 -16.138 -0.073 253 H GLY 35 HN GLY 35 0.327 -17.938 -1.048 254 HA2 GLY 35 1HA GLY 35 1.512 -19.955 -0.885 255 HA3 GLY 35 2HA GLY 35 3.009 -19.121 -1.255 256 H LEU 36 HN LEU 36 1.809 -16.887 0.718 257 HA LEU 36 HA LEU 36 3.432 -17.258 2.816 258 HB2 LEU 36 2HB LEU 36 0.774 -15.930 2.510 259 HB3 LEU 36 3HB LEU 36 1.485 -16.036 4.108 260 HG LEU 36 HG LEU 36 3.052 -14.913 1.790 261 HD11 LEU 36 1HD1 LEU 36 1.962 -12.966 1.749 262 HD12 LEU 36 2HD1 LEU 36 0.632 -13.836 2.549 263 HD13 LEU 36 3HD1 LEU 36 1.802 -12.911 3.521 264 HD21 LEU 36 1HD2 LEU 36 4.635 -14.720 3.330 265 HD22 LEU 36 2HD2 LEU 36 3.589 -13.602 4.237 266 HD23 LEU 36 3HD2 LEU 36 3.539 -15.347 4.584 267 H SER 37 HN SER 37 0.421 -18.997 2.127 268 HA SER 37 HA SER 37 0.105 -20.008 4.723 269 HB2 SER 37 2HB SER 37 -1.596 -19.885 2.751 270 HB3 SER 37 3HB SER 37 -0.859 -21.371 2.185 271 HG SER 37 HG SER 37 -2.559 -22.026 3.480 272 H GLY 38 HN GLY 38 1.902 -21.063 5.594 273 HA2 GLY 38 1HA GLY 38 2.820 -23.239 5.881 274 HA3 GLY 38 2HA GLY 38 2.795 -23.472 4.144 275 H LYS 39 HN LYS 39 3.680 -20.261 4.619 276 HA LYS 39 HA LYS 39 6.301 -20.683 3.747 277 HB2 LYS 39 2HB LYS 39 4.680 -18.352 4.682 278 HB3 LYS 39 3HB LYS 39 6.420 -18.161 4.613 279 HG2 LYS 39 2HG LYS 39 4.621 -19.053 2.310 280 HG3 LYS 39 3HG LYS 39 5.390 -17.487 2.467 281 HD2 LYS 39 2HD LYS 39 7.603 -19.042 2.692 282 HD3 LYS 39 3HD LYS 39 6.609 -20.143 1.759 283 HE2 LYS 39 2HE LYS 39 6.144 -17.978 0.263 284 HE3 LYS 39 3HE LYS 39 7.629 -17.399 0.992 285 HZ1 LYS 39 1HZ LYS 39 8.541 -19.703 0.272 286 HZ2 LYS 39 2HZ LYS 39 7.268 -19.754 -0.743 287 H SER 40 HN SER 40 8.088 -19.252 5.186 288 HA SER 40 HA SER 40 8.456 -20.987 7.421 289 HB2 SER 40 2HB SER 40 10.181 -19.857 5.644 290 HB3 SER 40 3HB SER 40 10.313 -18.686 6.940 291 HG SER 40 HG SER 40 10.410 -21.372 7.785 292 H THR 41 HN THR 41 8.396 -20.407 9.628 293 HA THR 41 HA THR 41 6.723 -18.290 10.355 294 HB THR 41 HB THR 41 8.611 -20.205 11.772 295 HG1 THR 41 HG1 THR 41 6.601 -21.118 11.385 296 HG21 THR 41 1HG2 THR 41 8.731 -18.595 13.459 297 HG22 THR 41 2HG2 THR 41 7.289 -17.732 12.873 298 HG23 THR 41 3HG2 THR 41 7.107 -19.231 13.816 299 H ASP 42 HN ASP 42 10.019 -18.260 9.369 300 HA ASP 42 HA ASP 42 10.781 -16.075 10.992 301 HB2 ASP 42 2HB ASP 42 12.509 -17.533 10.135 302 HB3 ASP 42 3HB ASP 42 11.927 -17.375 8.490 303 HD2 ASP 42 HD2 ASP 42 14.265 -14.584 10.118 304 H GLU 43 HN GLU 43 10.080 -16.550 7.441 305 HA GLU 43 HA GLU 43 10.181 -13.843 6.831 306 HB2 GLU 43 2HB GLU 43 9.510 -14.483 4.668 307 HB3 GLU 43 3HB GLU 43 10.277 -15.936 5.280 308 HG2 GLU 43 2HG GLU 43 8.048 -16.855 5.924 309 HG3 GLU 43 3HG GLU 43 7.270 -15.394 5.351 310 HE2 GLU 43 HE2 GLU 43 7.374 -15.429 2.510 311 H VAL 44 HN VAL 44 7.464 -16.050 7.712 312 HA VAL 44 HA VAL 44 5.303 -14.545 7.180 313 HB VAL 44 HB VAL 44 5.943 -16.207 9.619 314 HG11 VAL 44 1HG1 VAL 44 3.387 -16.395 9.769 315 HG12 VAL 44 2HG1 VAL 44 4.131 -14.884 10.343 316 HG13 VAL 44 3HG1 VAL 44 3.340 -14.937 8.750 317 HG21 VAL 44 1HG2 VAL 44 5.873 -17.125 7.153 318 HG22 VAL 44 2HG2 VAL 44 5.100 -18.030 8.476 319 HG23 VAL 44 3HG2 VAL 44 4.111 -17.029 7.386 320 H LYS 45 HN LYS 45 7.599 -14.119 9.930 321 HA LYS 45 HA LYS 45 6.147 -12.085 11.188 322 HB2 LYS 45 2HB LYS 45 9.135 -12.602 11.236 323 HB3 LYS 45 3HB LYS 45 8.227 -11.655 12.397 324 HG2 LYS 45 2HG LYS 45 7.203 -13.533 13.352 325 HG3 LYS 45 3HG LYS 45 7.298 -14.474 11.877 326 HD2 LYS 45 2HD LYS 45 9.643 -14.928 12.183 327 HD3 LYS 45 3HD LYS 45 9.809 -13.678 13.401 328 HE2 LYS 45 2HE LYS 45 7.948 -15.150 14.671 329 HE3 LYS 45 3HE LYS 45 8.586 -16.426 13.654 330 HZ1 LYS 45 1HZ LYS 45 9.911 -16.445 15.589 331 HZ2 LYS 45 2HZ LYS 45 10.858 -15.677 14.510 332 H LYS 46 HN LYS 46 8.757 -12.033 8.688 333 HA LYS 46 HA LYS 46 8.848 -9.211 8.578 334 HB2 LYS 46 2HB LYS 46 9.686 -11.008 6.315 335 HB3 LYS 46 3HB LYS 46 10.399 -9.502 6.857 336 HG2 LYS 46 2HG LYS 46 10.752 -10.915 9.131 337 HG3 LYS 46 3HG LYS 46 10.682 -12.268 8.019 338 HD2 LYS 46 2HD LYS 46 12.664 -9.965 8.053 339 HD3 LYS 46 3HD LYS 46 12.998 -11.684 8.133 340 HE2 LYS 46 2HE LYS 46 11.932 -10.165 5.705 341 HE3 LYS 46 3HE LYS 46 13.545 -10.826 5.887 342 HZ1 LYS 46 1HZ LYS 46 11.845 -12.232 4.626 343 HZ2 LYS 46 2HZ LYS 46 12.710 -13.015 5.762 344 H ALA 47 HN ALA 47 6.627 -11.614 7.387 345 HA ALA 47 HA ALA 47 5.660 -9.932 5.248 346 HB1 ALA 47 1HB ALA 47 3.853 -11.908 5.393 347 HB2 ALA 47 2HB ALA 47 5.444 -12.139 4.629 348 HB3 ALA 47 3HB ALA 47 5.168 -12.694 6.298 349 H PHE 48 HN PHE 48 5.230 -10.317 8.669 350 HA PHE 48 HA PHE 48 2.511 -9.364 8.648 351 HB2 PHE 48 2HB PHE 48 3.201 -10.949 10.380 352 HB3 PHE 48 3HB PHE 48 4.675 -10.057 10.703 353 HD1 PHE 48 HD1 PHE 48 1.044 -10.137 11.240 354 HD2 PHE 48 HD2 PHE 48 4.674 -8.144 12.167 355 HE1 PHE 48 HE1 PHE 48 -0.100 -8.925 13.117 356 HE2 PHE 48 HE2 PHE 48 3.530 -6.932 14.043 357 HZ PHE 48 HZ PHE 48 1.157 -7.337 14.496 358 H ALA 49 HN ALA 49 5.826 -8.117 9.143 359 HA ALA 49 HA ALA 49 5.042 -5.666 10.298 360 HB1 ALA 49 1HB ALA 49 7.369 -5.011 9.778 361 HB2 ALA 49 2HB ALA 49 7.301 -6.636 10.502 362 HB3 ALA 49 3HB ALA 49 7.544 -6.453 8.748 363 H ILE 50 HN ILE 50 4.553 -6.980 7.191 364 HA ILE 50 HA ILE 50 4.955 -4.646 5.645 365 HB ILE 50 HB ILE 50 3.213 -7.050 5.091 366 HG12 ILE 50 2HG1 ILE 50 6.180 -6.603 4.764 367 HG13 ILE 50 3HG1 ILE 50 5.353 -7.927 5.561 368 HG21 ILE 50 1HG2 ILE 50 4.477 -5.869 2.789 369 HG22 ILE 50 2HG2 ILE 50 2.750 -6.140 3.122 370 HG23 ILE 50 3HG2 ILE 50 3.537 -4.640 3.669 371 HD11 ILE 50 1HD1 ILE 50 5.899 -8.934 3.530 372 HD12 ILE 50 2HD1 ILE 50 4.279 -8.306 3.146 373 HD13 ILE 50 3HD1 ILE 50 5.726 -7.418 2.613 374 H ILE 51 HN ILE 51 1.884 -6.289 6.700 375 HA ILE 51 HA ILE 51 0.170 -4.300 5.960 376 HB ILE 51 HB ILE 51 -0.120 -5.987 8.442 377 HG12 ILE 51 2HG1 ILE 51 -1.350 -7.306 6.297 378 HG13 ILE 51 3HG1 ILE 51 0.217 -6.824 5.677 379 HG21 ILE 51 1HG2 ILE 51 -1.803 -4.090 7.276 380 HG22 ILE 51 2HG2 ILE 51 -2.457 -5.661 6.754 381 HG23 ILE 51 3HG2 ILE 51 -2.239 -5.319 8.487 382 HD11 ILE 51 1HD1 ILE 51 0.927 -8.744 6.711 383 HD12 ILE 51 2HD1 ILE 51 0.946 -7.718 8.166 384 HD13 ILE 51 3HD1 ILE 51 -0.454 -8.767 7.834 385 H ASP 52 HN ASP 52 1.645 -4.733 9.257 386 HA ASP 52 HA ASP 52 0.674 -2.638 10.516 387 HB2 ASP 52 2HB ASP 52 3.617 -3.453 10.429 388 HB3 ASP 52 3HB ASP 52 2.926 -2.423 11.666 389 HD2 ASP 52 HD2 ASP 52 4.076 -4.510 12.550 390 H GLN 53 HN GLN 53 0.283 -0.622 9.532 391 HA GLN 53 HA GLN 53 2.323 0.471 7.825 392 HB2 GLN 53 2HB GLN 53 -0.384 1.653 8.582 393 HB3 GLN 53 3HB GLN 53 0.645 2.171 7.262 394 HG2 GLN 53 2HG GLN 53 0.450 -0.223 6.326 395 HG3 GLN 53 3HG GLN 53 -0.790 -0.506 7.531 396 HE21 GLN 53 1HE2 GLN 53 -2.516 -0.718 6.241 397 HE22 GLN 53 2HE2 GLN 53 -3.173 0.523 5.227 398 H ASP 54 HN ASP 54 1.376 0.568 11.050 399 HA ASP 54 HA ASP 54 2.841 3.142 11.533 400 HB2 ASP 54 2HB ASP 54 1.429 3.162 13.632 401 HB3 ASP 54 3HB ASP 54 0.494 3.260 12.141 402 H LYS 55 HN LYS 55 2.680 -0.362 12.205 403 HA LYS 55 HA LYS 55 4.085 -1.690 13.277 404 HB2 LYS 55 2HB LYS 55 5.963 0.591 13.862 405 HB3 LYS 55 3HB LYS 55 6.332 -1.099 13.589 406 HG2 LYS 55 2HG LYS 55 5.288 0.869 11.498 407 HG3 LYS 55 3HG LYS 55 6.924 0.249 11.601 408 HD2 LYS 55 2HD LYS 55 4.388 -1.285 10.908 409 HD3 LYS 55 3HD LYS 55 5.815 -1.065 9.915 410 HE2 LYS 55 2HE LYS 55 5.576 -2.750 12.447 411 HE3 LYS 55 3HE LYS 55 5.883 -3.323 10.819 412 HZ1 LYS 55 1HZ LYS 55 7.903 -3.100 12.291 413 HZ2 LYS 55 2HZ LYS 55 8.042 -2.343 10.856 414 H SER 56 HN SER 56 1.857 -0.274 14.565 415 HA SER 56 HA SER 56 2.438 0.771 16.991 416 HB2 SER 56 2HB SER 56 0.158 -0.460 17.633 417 HB3 SER 56 3HB SER 56 0.180 0.882 16.507 418 HG SER 56 HG SER 56 -0.354 -1.841 16.051 419 H GLY 57 HN GLY 57 2.814 -2.533 15.861 420 HA2 GLY 57 1HA GLY 57 4.389 -3.842 17.200 421 HA3 GLY 57 2HA GLY 57 3.469 -3.384 18.620 422 H PHE 58 HN PHE 58 0.896 -3.570 16.839 423 HA PHE 58 HA PHE 58 0.787 -6.456 16.495 424 HB2 PHE 58 2HB PHE 58 -1.096 -4.719 18.203 425 HB3 PHE 58 3HB PHE 58 -1.371 -6.415 17.860 426 HD1 PHE 58 HD1 PHE 58 1.282 -7.592 18.251 427 HD2 PHE 58 HD2 PHE 58 -0.702 -4.577 20.481 428 HE1 PHE 58 HE1 PHE 58 2.613 -8.220 20.284 429 HE2 PHE 58 HE2 PHE 58 0.629 -5.205 22.514 430 HZ PHE 58 HZ PHE 58 2.270 -7.019 22.392 431 H ILE 59 HN ILE 59 -1.745 -6.921 15.806 432 HA ILE 59 HA ILE 59 -2.347 -4.872 13.787 433 HB ILE 59 HB ILE 59 -2.171 -7.850 13.596 434 HG12 ILE 59 2HG1 ILE 59 -1.300 -5.552 11.821 435 HG13 ILE 59 3HG1 ILE 59 -0.271 -6.523 12.855 436 HG21 ILE 59 1HG2 ILE 59 -3.401 -7.149 11.245 437 HG22 ILE 59 2HG2 ILE 59 -4.182 -7.959 12.625 438 HG23 ILE 59 3HG2 ILE 59 -4.301 -6.192 12.446 439 HD11 ILE 59 1HD1 ILE 59 -1.540 -7.225 10.234 440 HD12 ILE 59 2HD1 ILE 59 0.051 -7.684 10.886 441 HD13 ILE 59 3HD1 ILE 59 -1.414 -8.530 11.438 442 H GLU 60 HN GLU 60 -3.707 -3.886 15.484 443 HA GLU 60 HA GLU 60 -5.661 -5.162 16.846 444 HB2 GLU 60 2HB GLU 60 -5.496 -2.361 15.692 445 HB3 GLU 60 3HB GLU 60 -6.891 -2.861 16.627 446 HG2 GLU 60 2HG GLU 60 -5.502 -1.957 18.293 447 HG3 GLU 60 3HG GLU 60 -5.131 -3.666 18.411 448 HE2 GLU 60 HE2 GLU 60 -2.406 -1.403 16.484 449 H GLU 61 HN GLU 61 -8.085 -5.159 16.506 450 HA GLU 61 HA GLU 61 -8.802 -6.599 14.373 451 HB2 GLU 61 2HB GLU 61 -10.303 -6.388 16.232 452 HB3 GLU 61 3HB GLU 61 -10.412 -4.648 16.056 453 HG2 GLU 61 2HG GLU 61 -11.557 -4.944 13.848 454 HG3 GLU 61 3HG GLU 61 -11.449 -6.684 14.027 455 HE2 GLU 61 HE2 GLU 61 -13.110 -3.893 15.208 456 H GLU 62 HN GLU 62 -8.830 -2.998 14.648 457 HA GLU 62 HA GLU 62 -10.067 -2.504 12.238 458 HB2 GLU 62 2HB GLU 62 -7.958 -0.839 13.686 459 HB3 GLU 62 3HB GLU 62 -9.012 -0.241 12.420 460 HG2 GLU 62 2HG GLU 62 -10.956 -0.410 13.767 461 HG3 GLU 62 3HG GLU 62 -10.231 -1.584 14.846 462 HE2 GLU 62 HE2 GLU 62 -8.358 1.841 15.431 463 H GLU 63 HN GLU 63 -6.638 -3.178 13.058 464 HA GLU 63 HA GLU 63 -5.618 -2.467 10.564 465 HB2 GLU 63 2HB GLU 63 -4.622 -4.244 12.814 466 HB3 GLU 63 3HB GLU 63 -3.694 -4.055 11.340 467 HG2 GLU 63 2HG GLU 63 -4.091 -1.450 11.785 468 HG3 GLU 63 3HG GLU 63 -4.374 -1.979 13.431 469 H LEU 64 HN LEU 64 -6.931 -5.527 11.921 470 HA LEU 64 HA LEU 64 -6.134 -7.271 9.957 471 HB2 LEU 64 2HB LEU 64 -8.469 -7.123 11.820 472 HB3 LEU 64 3HB LEU 64 -8.439 -8.367 10.585 473 HG LEU 64 HG LEU 64 -6.223 -7.952 12.607 474 HD11 LEU 64 1HD1 LEU 64 -7.172 -10.000 13.709 475 HD12 LEU 64 2HD1 LEU 64 -8.160 -8.528 13.867 476 HD13 LEU 64 3HD1 LEU 64 -8.624 -9.790 12.701 477 HD21 LEU 64 1HD2 LEU 64 -6.625 -10.574 11.306 478 HD22 LEU 64 2HD2 LEU 64 -6.073 -9.261 10.238 479 HD23 LEU 64 3HD2 LEU 64 -5.129 -9.688 11.685 480 H LYS 65 HN LYS 65 -9.037 -5.112 10.049 481 HA LYS 65 HA LYS 65 -10.093 -5.973 7.617 482 HB2 LYS 65 2HB LYS 65 -11.551 -4.800 9.004 483 HB3 LYS 65 3HB LYS 65 -10.399 -3.520 9.326 484 HG2 LYS 65 2HG LYS 65 -10.563 -2.858 6.865 485 HG3 LYS 65 3HG LYS 65 -11.852 -4.032 6.690 486 HD2 LYS 65 2HD LYS 65 -11.841 -1.462 8.291 487 HD3 LYS 65 3HD LYS 65 -13.013 -2.010 7.110 488 HE2 LYS 65 2HE LYS 65 -14.185 -2.420 9.091 489 HE3 LYS 65 3HE LYS 65 -13.433 -3.983 8.839 490 HZ1 LYS 65 1HZ LYS 65 -12.038 -3.660 10.599 491 HZ2 LYS 65 2HZ LYS 65 -11.843 -2.063 10.342 492 H LEU 66 HN LEU 66 -7.291 -4.036 8.395 493 HA LEU 66 HA LEU 66 -7.213 -2.925 5.706 494 HB2 LEU 66 2HB LEU 66 -5.354 -2.506 8.050 495 HB3 LEU 66 3HB LEU 66 -5.323 -1.636 6.529 496 HG LEU 66 HG LEU 66 -7.218 -1.392 8.828 497 HD11 LEU 66 1HD1 LEU 66 -6.669 0.830 8.792 498 HD12 LEU 66 2HD1 LEU 66 -5.170 0.122 8.144 499 HD13 LEU 66 3HD1 LEU 66 -6.362 0.847 7.038 500 HD21 LEU 66 1HD2 LEU 66 -7.983 -0.576 6.012 501 HD22 LEU 66 2HD2 LEU 66 -8.653 -1.972 6.890 502 HD23 LEU 66 3HD2 LEU 66 -8.923 -0.322 7.502 503 H PHE 67 HN PHE 67 -7.035 -5.862 6.245 504 HA PHE 67 HA PHE 67 -4.296 -6.567 5.951 505 HB2 PHE 67 2HB PHE 67 -5.936 -8.100 6.962 506 HB3 PHE 67 3HB PHE 67 -7.026 -7.923 5.602 507 HD1 PHE 67 HD1 PHE 67 -7.007 -9.507 3.903 508 HD2 PHE 67 HD2 PHE 67 -3.624 -9.185 6.445 509 HE1 PHE 67 HE1 PHE 67 -6.014 -11.552 2.840 510 HE2 PHE 67 HE2 PHE 67 -2.631 -11.230 5.382 511 HZ PHE 67 HZ PHE 67 -3.837 -12.390 3.593 512 H LEU 68 HN LEU 68 -6.331 -4.965 3.862 513 HA LEU 68 HA LEU 68 -5.294 -6.376 1.511 514 HB2 LEU 68 2HB LEU 68 -7.690 -4.612 1.959 515 HB3 LEU 68 3HB LEU 68 -7.068 -4.931 0.352 516 HG LEU 68 HG LEU 68 -8.313 -6.860 2.304 517 HD11 LEU 68 1HD1 LEU 68 -9.019 -5.660 -0.310 518 HD12 LEU 68 2HD1 LEU 68 -9.417 -7.382 -0.102 519 HD13 LEU 68 3HD1 LEU 68 -10.054 -6.177 1.042 520 HD21 LEU 68 1HD2 LEU 68 -6.568 -7.532 -0.072 521 HD22 LEU 68 2HD2 LEU 68 -6.382 -8.057 1.619 522 HD23 LEU 68 3HD2 LEU 68 -7.738 -8.668 0.641 523 H GLN 69 HN GLN 69 -5.208 -3.409 3.415 524 HA GLN 69 HA GLN 69 -4.040 -1.889 1.316 525 HB2 GLN 69 2HB GLN 69 -4.523 -1.429 4.275 526 HB3 GLN 69 3HB GLN 69 -3.561 -0.299 3.344 527 HG2 GLN 69 2HG GLN 69 -5.411 0.146 1.818 528 HG3 GLN 69 3HG GLN 69 -6.358 -1.166 2.491 529 HE21 GLN 69 1HE2 GLN 69 -7.822 0.811 2.553 530 HE22 GLN 69 2HE2 GLN 69 -7.875 1.707 4.034 531 H ASN 70 HN ASN 70 -2.899 -4.503 2.949 532 HA ASN 70 HA ASN 70 -0.376 -3.499 3.756 533 HB2 ASN 70 2HB ASN 70 0.139 -6.066 3.835 534 HB3 ASN 70 3HB ASN 70 -1.081 -5.450 4.933 535 HD21 ASN 70 1HD2 ASN 70 -1.175 -8.029 4.475 536 HD22 ASN 70 2HD2 ASN 70 -2.476 -8.493 3.429 537 H PHE 71 HN PHE 71 -1.705 -5.532 1.050 538 HA PHE 71 HA PHE 71 0.854 -5.539 -0.280 539 HB2 PHE 71 2HB PHE 71 -1.980 -6.539 -0.945 540 HB3 PHE 71 3HB PHE 71 -0.596 -6.849 -1.975 541 HD1 PHE 71 HD1 PHE 71 1.296 -8.251 -1.086 542 HD2 PHE 71 HD2 PHE 71 -2.404 -7.879 0.959 543 HE1 PHE 71 HE1 PHE 71 1.818 -10.320 0.236 544 HE2 PHE 71 HE2 PHE 71 -1.882 -9.948 2.281 545 HZ PHE 71 HZ PHE 71 0.223 -11.144 1.904 546 H LYS 72 HN LYS 72 -1.032 -3.040 0.189 547 HA LYS 72 HA LYS 72 -0.304 -1.701 -2.133 548 HB2 LYS 72 2HB LYS 72 -2.232 -3.337 -2.909 549 HB3 LYS 72 3HB LYS 72 -3.273 -2.118 -2.201 550 HG2 LYS 72 2HG LYS 72 -1.645 -0.468 -3.603 551 HG3 LYS 72 3HG LYS 72 -1.445 -1.908 -4.582 552 HD2 LYS 72 2HD LYS 72 -4.235 -1.034 -3.789 553 HD3 LYS 72 3HD LYS 72 -3.418 -0.203 -5.097 554 HE2 LYS 72 2HE LYS 72 -3.161 -2.279 -6.360 555 HE3 LYS 72 3HE LYS 72 -3.711 -3.240 -5.002 556 HZ1 LYS 72 1HZ LYS 72 -5.504 -1.158 -6.049 557 HZ2 LYS 72 2HZ LYS 72 -5.382 -2.557 -6.873 558 H ALA 73 HN ALA 73 -0.508 0.515 -1.809 559 HA ALA 73 HA ALA 73 -1.486 1.235 0.825 560 HB1 ALA 73 1HB ALA 73 -0.463 3.464 -0.658 561 HB2 ALA 73 2HB ALA 73 0.280 2.615 0.719 562 HB3 ALA 73 3HB ALA 73 0.609 2.073 -0.944 563 H GLY 74 HN GLY 74 -3.140 0.531 -1.778 564 HA2 GLY 74 1HA GLY 74 -5.012 2.763 -1.418 565 HA3 GLY 74 2HA GLY 74 -4.453 2.391 -3.037 566 H ALA 75 HN ALA 75 -4.818 -0.152 -0.564 567 HA ALA 75 HA ALA 75 -6.696 -1.503 -2.272 568 HB1 ALA 75 1HB ALA 75 -6.065 -2.530 0.454 569 HB2 ALA 75 2HB ALA 75 -6.056 -3.369 -1.116 570 HB3 ALA 75 3HB ALA 75 -4.683 -2.336 -0.652 571 H ARG 76 HN ARG 76 -8.458 -2.774 -0.621 572 HA ARG 76 HA ARG 76 -9.966 -0.509 0.389 573 HB2 ARG 76 2HB ARG 76 -11.972 -1.937 0.070 574 HB3 ARG 76 3HB ARG 76 -11.054 -1.829 -1.419 575 HG2 ARG 76 2HG ARG 76 -10.305 -4.045 -1.293 576 HG3 ARG 76 3HG ARG 76 -10.389 -4.092 0.457 577 HD2 ARG 76 2HD ARG 76 -12.921 -4.044 0.290 578 HD3 ARG 76 3HD ARG 76 -12.775 -4.125 -1.454 579 HE ARG 76 HE ARG 76 -11.286 -6.282 -0.736 580 HH11 ARG 76 HH1 ARG 76 -13.552 -8.679 0.351 581 HH21 ARG 76 1HH2 ARG 76 -15.019 -6.826 0.748 582 HH22 ARG 76 2HH2 ARG 76 -14.472 -5.221 0.394 583 H ALA 77 HN ALA 77 -11.838 -1.851 2.023 584 HA ALA 77 HA ALA 77 -10.098 -3.043 4.074 585 HB1 ALA 77 1HB ALA 77 -11.705 -0.682 4.141 586 HB2 ALA 77 2HB ALA 77 -12.491 -1.893 5.182 587 HB3 ALA 77 3HB ALA 77 -10.796 -1.434 5.475 588 H LEU 78 HN LEU 78 -10.857 -4.901 5.134 589 HA LEU 78 HA LEU 78 -12.716 -6.440 3.655 590 HB2 LEU 78 2HB LEU 78 -11.316 -6.868 6.293 591 HB3 LEU 78 3HB LEU 78 -12.373 -8.056 5.558 592 HG LEU 78 HG LEU 78 -10.290 -8.791 4.905 593 HD11 LEU 78 1HD1 LEU 78 -11.065 -6.931 2.641 594 HD12 LEU 78 2HD1 LEU 78 -10.035 -8.378 2.520 595 HD13 LEU 78 3HD1 LEU 78 -11.755 -8.543 2.948 596 HD21 LEU 78 1HD2 LEU 78 -8.409 -7.411 4.251 597 HD22 LEU 78 2HD2 LEU 78 -9.415 -5.945 4.341 598 HD23 LEU 78 3HD2 LEU 78 -9.048 -6.865 5.820 599 H SER 79 HN SER 79 -14.776 -7.292 4.379 600 HA SER 79 HA SER 79 -16.365 -5.293 5.489 601 HB2 SER 79 2HB SER 79 -16.945 -7.303 3.888 602 HB3 SER 79 3HB SER 79 -17.189 -8.207 5.369 603 HG SER 79 HG SER 79 -18.742 -6.146 4.237 604 H ASP 80 HN ASP 80 -17.505 -5.241 7.544 605 HA ASP 80 HA ASP 80 -16.097 -5.619 9.732 606 HB2 ASP 80 2HB ASP 80 -18.601 -4.784 9.285 607 HB3 ASP 80 3HB ASP 80 -19.020 -6.385 9.862 608 HD2 ASP 80 HD2 ASP 80 -19.026 -6.690 11.914 609 H ALA 81 HN ALA 81 -17.945 -8.086 7.913 610 HA ALA 81 HA ALA 81 -17.682 -10.091 9.946 611 HB1 ALA 81 1HB ALA 81 -18.875 -9.814 7.221 612 HB2 ALA 81 2HB ALA 81 -18.407 -11.455 7.730 613 HB3 ALA 81 3HB ALA 81 -19.563 -10.516 8.705 614 H GLU 82 HN GLU 82 -16.254 -9.476 6.661 615 HA GLU 82 HA GLU 82 -14.634 -11.606 6.500 616 HB2 GLU 82 2HB GLU 82 -14.277 -8.734 5.603 617 HB3 GLU 82 3HB GLU 82 -13.032 -9.921 5.268 618 HG2 GLU 82 2HG GLU 82 -14.629 -11.342 4.053 619 HG3 GLU 82 3HG GLU 82 -15.965 -10.306 4.513 620 HE2 GLU 82 HE2 GLU 82 -13.867 -7.854 2.399 621 H THR 83 HN THR 83 -14.017 -8.532 8.295 622 HA THR 83 HA THR 83 -11.400 -9.295 9.110 623 HB THR 83 HB THR 83 -13.362 -7.212 10.208 624 HG1 THR 83 HG1 THR 83 -12.883 -6.396 8.206 625 HG21 THR 83 1HG2 THR 83 -11.078 -7.860 11.460 626 HG22 THR 83 2HG2 THR 83 -10.348 -6.944 10.119 627 HG23 THR 83 3HG2 THR 83 -11.513 -6.152 11.208 628 H LYS 84 HN LYS 84 -14.659 -9.975 10.269 629 HA LYS 84 HA LYS 84 -13.848 -10.660 12.903 630 HB2 LYS 84 2HB LYS 84 -16.327 -10.784 11.271 631 HB3 LYS 84 3HB LYS 84 -16.209 -11.944 12.579 632 HG2 LYS 84 2HG LYS 84 -15.376 -9.773 13.946 633 HG3 LYS 84 3HG LYS 84 -16.289 -8.933 12.709 634 HD2 LYS 84 2HD LYS 84 -17.492 -11.267 14.250 635 HD3 LYS 84 3HD LYS 84 -17.546 -9.633 14.883 636 HE2 LYS 84 2HE LYS 84 -18.978 -8.864 13.180 637 HE3 LYS 84 3HE LYS 84 -18.457 -10.088 12.038 638 HZ1 LYS 84 1HZ LYS 84 -20.555 -10.814 12.751 639 HZ2 LYS 84 2HZ LYS 84 -19.563 -11.722 13.671 640 H ALA 85 HN ALA 85 -14.422 -12.472 9.834 641 HA ALA 85 HA ALA 85 -13.935 -15.001 10.993 642 HB1 ALA 85 1HB ALA 85 -13.324 -14.994 8.200 643 HB2 ALA 85 2HB ALA 85 -14.808 -15.562 9.003 644 HB3 ALA 85 3HB ALA 85 -14.681 -13.872 8.457 645 H PHE 86 HN PHE 86 -11.905 -12.628 9.164 646 HA PHE 86 HA PHE 86 -9.607 -14.267 9.227 647 HB2 PHE 86 2HB PHE 86 -10.264 -12.251 7.701 648 HB3 PHE 86 3HB PHE 86 -9.865 -11.208 9.051 649 HD1 PHE 86 HD1 PHE 86 -8.049 -14.264 7.973 650 HD2 PHE 86 HD2 PHE 86 -8.021 -10.028 8.221 651 HE1 PHE 86 HE1 PHE 86 -5.648 -14.237 7.243 652 HE2 PHE 86 HE2 PHE 86 -5.619 -10.001 7.491 653 HZ PHE 86 HZ PHE 86 -4.462 -12.106 7.011 654 H LEU 87 HN LEU 87 -11.230 -12.451 11.657 655 HA LEU 87 HA LEU 87 -8.827 -11.778 13.106 656 HB2 LEU 87 2HB LEU 87 -10.496 -10.175 13.291 657 HB3 LEU 87 3HB LEU 87 -11.769 -11.362 13.495 658 HG LEU 87 HG LEU 87 -10.776 -11.918 15.751 659 HD11 LEU 87 1HD1 LEU 87 -9.211 -9.356 15.354 660 HD12 LEU 87 2HD1 LEU 87 -9.226 -10.408 16.790 661 HD13 LEU 87 3HD1 LEU 87 -8.515 -10.992 15.266 662 HD21 LEU 87 1HD2 LEU 87 -11.497 -9.032 15.842 663 HD22 LEU 87 2HD2 LEU 87 -12.663 -10.148 15.091 664 HD23 LEU 87 3HD2 LEU 87 -12.133 -10.411 16.770 665 H LYS 88 HN LYS 88 -11.770 -13.808 13.787 666 HA LYS 88 HA LYS 88 -10.550 -15.124 15.944 667 HB2 LYS 88 2HB LYS 88 -13.041 -15.441 14.330 668 HB3 LYS 88 3HB LYS 88 -12.517 -16.817 15.280 669 HG2 LYS 88 2HG LYS 88 -12.619 -15.588 17.337 670 HG3 LYS 88 3HG LYS 88 -12.656 -14.042 16.513 671 HD2 LYS 88 2HD LYS 88 -14.916 -14.386 15.739 672 HD3 LYS 88 3HD LYS 88 -14.877 -16.091 16.143 673 HE2 LYS 88 2HE LYS 88 -14.800 -15.579 18.549 674 HE3 LYS 88 3HE LYS 88 -14.639 -13.865 18.221 675 HZ1 LYS 88 1HZ LYS 88 -16.871 -14.201 16.961 676 HZ2 LYS 88 2HZ LYS 88 -17.017 -15.562 17.844 677 H ALA 89 HN ALA 89 -10.495 -15.602 12.435 678 HA ALA 89 HA ALA 89 -9.696 -18.278 12.413 679 HB1 ALA 89 1HB ALA 89 -9.279 -15.942 10.515 680 HB2 ALA 89 2HB ALA 89 -8.766 -17.603 10.133 681 HB3 ALA 89 3HB ALA 89 -10.488 -17.244 10.405 682 H GLY 90 HN GLY 90 -7.997 -15.251 13.137 683 HA2 GLY 90 1HA GLY 90 -5.433 -16.712 13.204 684 HA3 GLY 90 2HA GLY 90 -5.630 -14.977 13.060 685 H ASP 91 HN ASP 91 -6.946 -13.920 14.976 686 HA ASP 91 HA ASP 91 -5.482 -14.262 17.245 687 HB2 ASP 91 2HB ASP 91 -7.280 -12.437 16.418 688 HB3 ASP 91 3HB ASP 91 -8.354 -13.355 17.455 689 HD2 ASP 91 HD2 ASP 91 -8.327 -11.217 18.392 690 H SER 92 HN SER 92 -5.399 -16.229 18.373 691 HA SER 92 HA SER 92 -7.630 -17.958 18.406 692 HB2 SER 92 2HB SER 92 -6.178 -19.507 19.328 693 HB3 SER 92 3HB SER 92 -5.009 -18.417 18.609 694 HG SER 92 HG SER 92 -5.822 -18.586 21.373 695 H ASP 93 HN ASP 93 -6.325 -15.492 20.449 696 HA ASP 93 HA ASP 93 -7.995 -16.192 22.786 697 HB2 ASP 93 2HB ASP 93 -6.733 -14.453 23.850 698 HB3 ASP 93 3HB ASP 93 -5.596 -15.287 22.793 699 H GLY 94 HN GLY 94 -8.348 -14.368 19.815 700 HA2 GLY 94 1HA GLY 94 -9.780 -12.744 19.171 701 HA3 GLY 94 2HA GLY 94 -10.931 -13.637 20.144 702 H ASP 95 HN ASP 95 -8.071 -11.493 20.853 703 HA ASP 95 HA ASP 95 -9.620 -10.320 22.977 704 HB2 ASP 95 2HB ASP 95 -7.547 -9.375 23.736 705 HB3 ASP 95 3HB ASP 95 -7.172 -11.005 23.215 706 HD2 ASP 95 HD2 ASP 95 -5.834 -8.195 23.211 707 H GLY 96 HN GLY 96 -8.551 -9.758 19.674 708 HA2 GLY 96 1HA GLY 96 -9.887 -8.004 18.551 709 HA3 GLY 96 2HA GLY 96 -9.403 -6.928 19.847 710 H LYS 97 HN LYS 97 -6.686 -8.639 19.742 711 HA LYS 97 HA LYS 97 -5.587 -7.158 17.454 712 HB2 LYS 97 2HB LYS 97 -4.012 -7.696 19.964 713 HB3 LYS 97 3HB LYS 97 -3.704 -6.527 18.696 714 HG2 LYS 97 2HG LYS 97 -5.914 -5.387 19.373 715 HG3 LYS 97 3HG LYS 97 -5.936 -6.441 20.772 716 HD2 LYS 97 2HD LYS 97 -3.527 -4.695 20.118 717 HD3 LYS 97 3HD LYS 97 -4.870 -4.095 21.071 718 HE2 LYS 97 2HE LYS 97 -4.513 -5.756 22.801 719 HE3 LYS 97 3HE LYS 97 -3.410 -6.672 21.793 720 HZ1 LYS 97 1HZ LYS 97 -1.714 -5.276 22.304 721 HZ2 LYS 97 2HZ LYS 97 -2.611 -3.921 22.197 722 H ILE 98 HN ILE 98 -4.034 -8.233 16.182 723 HA ILE 98 HA ILE 98 -3.736 -11.080 16.844 724 HB ILE 98 HB ILE 98 -4.480 -9.703 14.307 725 HG12 ILE 98 2HG1 ILE 98 -5.384 -12.109 15.873 726 HG13 ILE 98 3HG1 ILE 98 -6.304 -10.702 15.377 727 HG21 ILE 98 1HG2 ILE 98 -3.757 -11.643 12.984 728 HG22 ILE 98 2HG2 ILE 98 -2.382 -10.780 13.713 729 HG23 ILE 98 3HG2 ILE 98 -2.946 -12.314 14.419 730 HD11 ILE 98 1HD1 ILE 98 -5.418 -13.069 13.713 731 HD12 ILE 98 2HD1 ILE 98 -7.033 -12.333 13.847 732 HD13 ILE 98 3HD1 ILE 98 -5.753 -11.509 12.924 733 H GLY 99 HN GLY 99 -1.705 -11.268 17.665 734 HA2 GLY 99 1HA GLY 99 0.423 -9.533 16.861 735 HA3 GLY 99 2HA GLY 99 0.515 -10.922 17.925 736 H ILE 100 HN ILE 100 2.604 -11.318 16.735 737 HA ILE 100 HA ILE 100 2.342 -12.175 13.997 738 HB ILE 100 HB ILE 100 4.301 -10.928 15.192 739 HG12 ILE 100 2HG1 ILE 100 4.218 -11.531 12.816 740 HG13 ILE 100 3HG1 ILE 100 5.827 -11.724 13.483 741 HG21 ILE 100 1HG2 ILE 100 4.893 -13.824 15.836 742 HG22 ILE 100 2HG2 ILE 100 6.129 -12.544 15.802 743 HG23 ILE 100 3HG2 ILE 100 4.780 -12.448 16.959 744 HD11 ILE 100 1HD1 ILE 100 3.807 -13.896 12.815 745 HD12 ILE 100 2HD1 ILE 100 5.462 -13.697 12.191 746 HD13 ILE 100 3HD1 ILE 100 5.202 -14.210 13.875 747 H ASP 101 HN ASP 101 2.970 -13.637 17.243 748 HA ASP 101 HA ASP 101 3.383 -16.193 16.405 749 HB2 ASP 101 2HB ASP 101 2.124 -16.679 18.735 750 HB3 ASP 101 3HB ASP 101 3.737 -15.998 18.679 751 HD2 ASP 101 HD2 ASP 101 0.676 -13.734 19.895 752 H GLU 102 HN GLU 102 0.422 -14.247 16.634 753 HA GLU 102 HA GLU 102 -1.243 -16.580 16.324 754 HB2 GLU 102 2HB GLU 102 -1.676 -13.693 17.006 755 HB3 GLU 102 3HB GLU 102 -2.995 -14.511 16.194 756 HG2 GLU 102 2HG GLU 102 -3.385 -15.966 17.970 757 HG3 GLU 102 3HG GLU 102 -1.706 -15.987 18.470 758 H PHE 103 HN PHE 103 -0.373 -13.531 14.574 759 HA PHE 103 HA PHE 103 -1.973 -13.967 12.351 760 HB2 PHE 103 2HB PHE 103 -0.890 -11.819 12.783 761 HB3 PHE 103 3HB PHE 103 0.687 -12.566 12.935 762 HD1 PHE 103 HD1 PHE 103 2.126 -12.655 11.098 763 HD2 PHE 103 HD2 PHE 103 -1.995 -11.872 10.455 764 HE1 PHE 103 HE1 PHE 103 2.599 -12.148 8.686 765 HE2 PHE 103 HE2 PHE 103 -1.522 -11.364 8.043 766 HZ PHE 103 HZ PHE 103 0.769 -11.508 7.187 767 H ALA 104 HN ALA 104 1.060 -15.458 13.363 768 HA ALA 104 HA ALA 104 1.614 -16.435 10.693 769 HB1 ALA 104 1HB ALA 104 3.484 -15.724 12.071 770 HB2 ALA 104 2HB ALA 104 2.973 -16.802 13.392 771 HB3 ALA 104 3HB ALA 104 3.570 -17.489 11.863 772 H ALA 105 HN ALA 105 -0.421 -17.227 13.309 773 HA ALA 105 HA ALA 105 -0.157 -20.073 13.115 774 HB1 ALA 105 1HB ALA 105 -2.645 -19.130 14.284 775 HB2 ALA 105 2HB ALA 105 -1.279 -19.966 15.061 776 HB3 ALA 105 3HB ALA 105 -1.266 -18.193 14.908 777 H MET 106 HN MET 106 -2.650 -17.613 12.142 778 HA MET 106 HA MET 106 -4.372 -19.329 10.935 779 HB2 MET 106 2HB MET 106 -5.017 -17.277 9.556 780 HB3 MET 106 3HB MET 106 -4.892 -16.955 11.274 781 HG2 MET 106 2HG MET 106 -2.404 -16.284 10.756 782 HG3 MET 106 3HG MET 106 -2.917 -16.219 9.082 783 HE1 MET 106 1HE MET 106 -6.168 -15.425 10.603 784 HE2 MET 106 2HE MET 106 -6.170 -13.869 9.739 785 HE3 MET 106 3HE MET 106 -5.642 -15.350 8.904 786 H ILE 107 HN ILE 107 -1.137 -18.528 9.973 787 HA ILE 107 HA ILE 107 -1.670 -19.504 7.258 788 HB ILE 107 HB ILE 107 0.816 -18.568 7.078 789 HG12 ILE 107 2HG1 ILE 107 -0.429 -16.900 9.283 790 HG13 ILE 107 3HG1 ILE 107 0.990 -17.919 9.427 791 HG21 ILE 107 1HG2 ILE 107 -1.385 -16.534 7.006 792 HG22 ILE 107 2HG2 ILE 107 -0.063 -16.832 5.851 793 HG23 ILE 107 3HG2 ILE 107 -1.450 -17.945 5.922 794 HD11 ILE 107 1HD1 ILE 107 2.306 -16.513 8.032 795 HD12 ILE 107 2HD1 ILE 107 0.873 -15.714 7.342 796 HD13 ILE 107 3HD1 ILE 107 1.359 -15.375 9.020 797 H LYS 108 HN LYS 108 0.157 -19.990 10.286 798 HA LYS 108 HA LYS 108 1.784 -22.062 9.226 799 HB2 LYS 108 2HB LYS 108 2.576 -20.796 11.098 800 HB3 LYS 108 3HB LYS 108 1.138 -21.144 12.037 801 HG2 LYS 108 2HG LYS 108 1.778 -23.358 12.473 802 HG3 LYS 108 3HG LYS 108 2.737 -23.486 11.012 803 HD2 LYS 108 2HD LYS 108 4.454 -21.961 11.990 804 HD3 LYS 108 3HD LYS 108 3.489 -21.794 13.443 805 HE2 LYS 108 2HE LYS 108 3.631 -24.348 13.707 806 HE3 LYS 108 3HE LYS 108 4.799 -24.345 12.400 807 HZ1 LYS 108 1HZ LYS 108 5.926 -24.206 14.533 808 HZ2 LYS 108 2HZ LYS 108 6.172 -22.806 13.739 809 H GLY 109 HN GLY 109 -1.543 -21.818 10.076 810 HA2 GLY 109 1HA GLY 109 -2.917 -23.682 9.420 811 HA3 GLY 109 2HA GLY 109 -1.730 -24.768 10.115 Start of MODEL 14 1 H SER 0 HN SER 0 0.290 -0.516 1.000 2 HA SER 0 HA SER 0 1.815 1.109 -0.872 3 HB2 SER 0 2HB SER 0 2.638 1.830 1.256 4 HB3 SER 0 3HB SER 0 2.620 0.205 1.913 5 HG SER 0 HG SER 0 4.775 1.099 1.248 6 H MET 1 HN MET 1 3.846 -0.140 -1.655 7 HA MET 1 HA MET 1 3.077 -2.939 -1.906 8 HB2 MET 1 2HB MET 1 4.914 -1.235 -3.680 9 HB3 MET 1 3HB MET 1 4.378 -2.865 -4.039 10 HG2 MET 1 2HG MET 1 2.384 -0.605 -3.594 11 HG3 MET 1 3HG MET 1 3.097 -0.895 -5.169 12 HE1 MET 1 1HE MET 1 2.968 -2.722 -6.503 13 HE2 MET 1 2HE MET 1 1.750 -4.020 -6.485 14 HE3 MET 1 3HE MET 1 1.261 -2.346 -6.840 15 H ALA 2 HN ALA 2 4.142 -3.255 0.277 16 HA ALA 2 HA ALA 2 7.033 -3.013 0.243 17 HB1 ALA 2 1HB ALA 2 6.032 -4.335 2.580 18 HB2 ALA 2 2HB ALA 2 6.680 -2.684 2.435 19 HB3 ALA 2 3HB ALA 2 4.940 -2.980 2.205 20 H PHE 3 HN PHE 3 4.423 -5.447 0.041 21 HA PHE 3 HA PHE 3 6.132 -7.671 0.393 22 HB2 PHE 3 2HB PHE 3 3.329 -7.007 -0.535 23 HB3 PHE 3 3HB PHE 3 3.943 -8.571 -1.031 24 HD1 PHE 3 HD1 PHE 3 4.998 -10.015 0.914 25 HD2 PHE 3 HD2 PHE 3 2.250 -6.835 1.502 26 HE1 PHE 3 HE1 PHE 3 4.371 -10.970 3.149 27 HE2 PHE 3 HE2 PHE 3 1.624 -7.790 3.738 28 HZ PHE 3 HZ PHE 3 2.692 -9.846 4.534 29 H ALA 4 HN ALA 4 5.972 -5.384 -2.089 30 HA ALA 4 HA ALA 4 6.066 -6.982 -4.380 31 HB1 ALA 4 1HB ALA 4 7.359 -4.277 -3.843 32 HB2 ALA 4 2HB ALA 4 6.968 -4.966 -5.437 33 HB3 ALA 4 3HB ALA 4 5.660 -4.525 -4.313 34 H SER 5 HN SER 5 8.247 -6.669 -1.730 35 HA SER 5 HA SER 5 10.513 -7.389 -3.373 36 HB2 SER 5 2HB SER 5 11.536 -7.378 -0.869 37 HB3 SER 5 3HB SER 5 11.364 -5.920 -1.828 38 HG SER 5 HG SER 5 10.396 -5.402 0.101 39 H VAL 6 HN VAL 6 8.578 -8.587 -0.547 40 HA VAL 6 HA VAL 6 9.949 -11.022 -0.309 41 HB VAL 6 HB VAL 6 7.071 -10.540 0.433 42 HG11 VAL 6 1HG1 VAL 6 7.860 -12.782 0.851 43 HG12 VAL 6 2HG1 VAL 6 9.319 -12.166 1.663 44 HG13 VAL 6 3HG1 VAL 6 7.720 -11.929 2.407 45 HG21 VAL 6 1HG2 VAL 6 8.673 -9.834 2.637 46 HG22 VAL 6 2HG2 VAL 6 9.366 -8.972 1.243 47 HG23 VAL 6 3HG2 VAL 6 7.647 -8.763 1.654 48 H LEU 7 HN LEU 7 6.644 -10.353 -1.682 49 HA LEU 7 HA LEU 7 7.057 -12.722 -3.367 50 HB2 LEU 7 2HB LEU 7 4.402 -11.500 -2.655 51 HB3 LEU 7 3HB LEU 7 4.727 -13.077 -3.346 52 HG LEU 7 HG LEU 7 5.821 -12.448 -0.627 53 HD11 LEU 7 1HD1 LEU 7 3.460 -13.617 0.027 54 HD12 LEU 7 2HD1 LEU 7 3.769 -11.864 0.084 55 HD13 LEU 7 3HD1 LEU 7 2.955 -12.579 -1.329 56 HD21 LEU 7 1HD2 LEU 7 4.972 -14.911 -2.136 57 HD22 LEU 7 2HD2 LEU 7 6.542 -14.526 -1.389 58 HD23 LEU 7 3HD2 LEU 7 5.142 -14.924 -0.364 59 H LYS 8 HN LYS 8 5.556 -12.493 -5.467 60 HA LYS 8 HA LYS 8 6.537 -10.086 -6.741 61 HB2 LYS 8 2HB LYS 8 4.972 -12.205 -8.170 62 HB3 LYS 8 3HB LYS 8 6.293 -11.210 -8.747 63 HG2 LYS 8 2HG LYS 8 7.658 -12.513 -6.830 64 HG3 LYS 8 3HG LYS 8 6.394 -13.705 -7.054 65 HD2 LYS 8 2HD LYS 8 8.043 -14.388 -8.606 66 HD3 LYS 8 3HD LYS 8 6.905 -13.507 -9.606 67 HE2 LYS 8 2HE LYS 8 9.175 -11.961 -8.351 68 HE3 LYS 8 3HE LYS 8 9.543 -13.005 -9.709 69 HZ1 LYS 8 1HZ LYS 8 7.328 -11.691 -10.559 70 HZ2 LYS 8 2HZ LYS 8 8.073 -10.528 -9.697 71 H ASP 9 HN ASP 9 5.304 -8.357 -7.368 72 HA ASP 9 HA ASP 9 2.950 -7.864 -6.129 73 HB2 ASP 9 2HB ASP 9 3.955 -6.819 -8.817 74 HB3 ASP 9 3HB ASP 9 2.621 -6.102 -7.937 75 HD2 ASP 9 HD2 ASP 9 5.605 -4.579 -8.064 76 H ALA 10 HN ALA 10 3.640 -9.395 -9.314 77 HA ALA 10 HA ALA 10 0.981 -9.395 -10.250 78 HB1 ALA 10 1HB ALA 10 2.138 -9.988 -12.080 79 HB2 ALA 10 2HB ALA 10 3.600 -10.245 -11.099 80 HB3 ALA 10 3HB ALA 10 2.449 -11.580 -11.348 81 H GLU 11 HN GLU 11 2.971 -11.669 -8.296 82 HA GLU 11 HA GLU 11 1.122 -13.747 -8.374 83 HB2 GLU 11 2HB GLU 11 3.466 -13.016 -6.622 84 HB3 GLU 11 3HB GLU 11 2.410 -14.314 -6.101 85 HG2 GLU 11 2HG GLU 11 3.554 -14.243 -8.921 86 HG3 GLU 11 3HG GLU 11 4.460 -14.933 -7.590 87 HE2 GLU 11 HE2 GLU 11 4.257 -17.033 -8.139 88 H VAL 12 HN VAL 12 1.873 -11.399 -5.689 89 HA VAL 12 HA VAL 12 -0.249 -12.141 -4.073 90 HB VAL 12 HB VAL 12 0.183 -10.119 -2.888 91 HG11 VAL 12 1HG1 VAL 12 2.046 -12.014 -3.293 92 HG12 VAL 12 2HG1 VAL 12 2.939 -10.603 -3.910 93 HG13 VAL 12 3HG1 VAL 12 2.314 -10.602 -2.243 94 HG21 VAL 12 1HG2 VAL 12 0.105 -8.501 -4.687 95 HG22 VAL 12 2HG2 VAL 12 1.648 -8.329 -3.815 96 HG23 VAL 12 3HG2 VAL 12 1.604 -9.154 -5.392 97 H THR 13 HN THR 13 -0.066 -9.960 -6.896 98 HA THR 13 HA THR 13 -2.416 -8.560 -6.588 99 HB THR 13 HB THR 13 -0.701 -9.522 -8.882 100 HG1 THR 13 HG1 THR 13 -0.789 -7.079 -9.047 101 HG21 THR 13 1HG2 THR 13 -3.108 -9.623 -9.725 102 HG22 THR 13 2HG2 THR 13 -3.290 -7.924 -9.227 103 HG23 THR 13 3HG2 THR 13 -2.128 -8.358 -10.504 104 H ALA 14 HN ALA 14 -1.938 -11.883 -7.905 105 HA ALA 14 HA ALA 14 -4.568 -12.267 -8.715 106 HB1 ALA 14 1HB ALA 14 -3.645 -14.759 -7.901 107 HB2 ALA 14 2HB ALA 14 -3.371 -14.017 -9.496 108 HB3 ALA 14 3HB ALA 14 -2.144 -13.855 -8.216 109 H ALA 15 HN ALA 15 -3.041 -12.259 -5.517 110 HA ALA 15 HA ALA 15 -5.237 -13.608 -4.256 111 HB1 ALA 15 1HB ALA 15 -3.934 -13.470 -2.326 112 HB2 ALA 15 2HB ALA 15 -2.690 -13.461 -3.599 113 HB3 ALA 15 3HB ALA 15 -3.177 -11.936 -2.821 114 H LEU 16 HN LEU 16 -4.462 -10.371 -5.321 115 HA LEU 16 HA LEU 16 -6.283 -9.143 -3.442 116 HB2 LEU 16 2HB LEU 16 -4.463 -8.153 -5.616 117 HB3 LEU 16 3HB LEU 16 -5.693 -7.110 -4.930 118 HG LEU 16 HG LEU 16 -3.779 -8.521 -3.097 119 HD11 LEU 16 1HD1 LEU 16 -2.610 -6.055 -3.467 120 HD12 LEU 16 2HD1 LEU 16 -2.023 -7.601 -4.125 121 HD13 LEU 16 3HD1 LEU 16 -3.045 -6.539 -5.124 122 HD21 LEU 16 1HD2 LEU 16 -4.650 -7.200 -1.533 123 HD22 LEU 16 2HD2 LEU 16 -4.441 -5.745 -2.537 124 HD23 LEU 16 3HD2 LEU 16 -5.895 -6.755 -2.725 125 H ASP 17 HN ASP 17 -6.201 -10.380 -6.766 126 HA ASP 17 HA ASP 17 -8.630 -9.063 -7.450 127 HB2 ASP 17 2HB ASP 17 -6.687 -9.827 -9.018 128 HB3 ASP 17 3HB ASP 17 -7.371 -11.435 -8.884 129 HD2 ASP 17 HD2 ASP 17 -8.575 -8.247 -9.477 130 H GLY 18 HN GLY 18 -7.513 -12.143 -6.081 131 HA2 GLY 18 1HA GLY 18 -9.879 -13.656 -6.627 132 HA3 GLY 18 2HA GLY 18 -8.569 -14.069 -5.538 133 H CYS 19 HN CYS 19 -9.155 -11.061 -4.470 134 HA CYS 19 HA CYS 19 -11.410 -11.887 -2.793 135 HB2 CYS 19 2HB CYS 19 -8.959 -10.368 -1.844 136 HB3 CYS 19 3HB CYS 19 -10.352 -10.795 -0.871 137 HG CYS 19 HG CYS 19 -9.174 -12.711 -0.066 138 H LYS 20 HN LYS 20 -11.105 -10.263 -5.357 139 HA LYS 20 HA LYS 20 -11.382 -7.533 -4.590 140 HB2 LYS 20 2HB LYS 20 -10.598 -8.706 -6.853 141 HB3 LYS 20 3HB LYS 20 -12.297 -8.546 -7.251 142 HG2 LYS 20 2HG LYS 20 -11.906 -6.051 -6.292 143 HG3 LYS 20 3HG LYS 20 -10.250 -6.393 -6.752 144 HD2 LYS 20 2HD LYS 20 -11.073 -5.496 -8.747 145 HD3 LYS 20 3HD LYS 20 -11.326 -7.206 -9.034 146 HE2 LYS 20 2HE LYS 20 -13.694 -6.793 -7.931 147 HE3 LYS 20 3HE LYS 20 -13.375 -5.103 -8.266 148 HZ1 LYS 20 1HZ LYS 20 -12.774 -6.685 -10.551 149 HZ2 LYS 20 2HZ LYS 20 -14.302 -6.979 -10.071 150 H ALA 21 HN ALA 21 -13.474 -10.330 -4.763 151 HA ALA 21 HA ALA 21 -15.874 -8.739 -4.977 152 HB1 ALA 21 1HB ALA 21 -15.145 -11.652 -4.867 153 HB2 ALA 21 2HB ALA 21 -16.800 -11.173 -4.421 154 HB3 ALA 21 3HB ALA 21 -16.163 -10.777 -6.035 155 H ALA 22 HN ALA 22 -17.299 -8.244 -3.297 156 HA ALA 22 HA ALA 22 -16.140 -8.109 -0.714 157 HB1 ALA 22 1HB ALA 22 -18.280 -7.064 -0.116 158 HB2 ALA 22 2HB ALA 22 -17.686 -6.414 -1.663 159 HB3 ALA 22 3HB ALA 22 -18.997 -7.618 -1.648 160 H GLY 23 HN GLY 23 -16.542 -9.334 1.137 161 HA2 GLY 23 1HA GLY 23 -17.148 -11.121 2.357 162 HA3 GLY 23 2HA GLY 23 -18.630 -11.179 1.424 163 H SER 24 HN SER 24 -15.654 -11.318 -0.423 164 HA SER 24 HA SER 24 -16.124 -14.175 -0.761 165 HB2 SER 24 2HB SER 24 -15.622 -13.977 -3.028 166 HB3 SER 24 3HB SER 24 -16.390 -12.431 -2.726 167 HG SER 24 HG SER 24 -13.542 -12.959 -2.803 168 H PHE 25 HN PHE 25 -13.909 -11.673 0.249 169 HA PHE 25 HA PHE 25 -11.456 -12.777 -0.280 170 HB2 PHE 25 2HB PHE 25 -11.571 -10.587 0.700 171 HB3 PHE 25 3HB PHE 25 -12.733 -11.092 1.910 172 HD1 PHE 25 HD1 PHE 25 -9.242 -10.652 1.139 173 HD2 PHE 25 HD2 PHE 25 -11.948 -12.455 3.865 174 HE1 PHE 25 HE1 PHE 25 -7.390 -10.896 2.816 175 HE2 PHE 25 HE2 PHE 25 -10.096 -12.699 5.542 176 HZ PHE 25 HZ PHE 25 -7.839 -11.917 4.997 177 H ASP 26 HN ASP 26 -10.162 -14.375 0.612 178 HA ASP 26 HA ASP 26 -11.209 -15.683 2.980 179 HB2 ASP 26 2HB ASP 26 -11.681 -16.832 0.606 180 HB3 ASP 26 3HB ASP 26 -10.012 -17.344 0.755 181 HD2 ASP 26 HD2 ASP 26 -12.292 -17.310 3.517 182 H HIS 27 HN HIS 27 -9.451 -14.860 4.254 183 HA HIS 27 HA HIS 27 -6.900 -14.444 3.520 184 HB2 HIS 27 2HB HIS 27 -6.347 -14.432 5.796 185 HB3 HIS 27 3HB HIS 27 -8.040 -13.982 5.738 186 HD1 HIS 27 HD1 HIS 27 -9.803 -15.827 6.520 187 HD2 HIS 27 HD2 HIS 27 -5.774 -16.775 7.200 188 HE1 HIS 27 HE1 HIS 27 -9.795 -17.769 8.175 189 H LYS 28 HN LYS 28 -8.172 -17.555 4.911 190 HA LYS 28 HA LYS 28 -5.952 -19.056 4.869 191 HB2 LYS 28 2HB LYS 28 -7.424 -20.997 4.490 192 HB3 LYS 28 3HB LYS 28 -8.075 -19.879 5.671 193 HG2 LYS 28 2HG LYS 28 -9.268 -18.820 3.506 194 HG3 LYS 28 3HG LYS 28 -9.013 -20.427 2.856 195 HD2 LYS 28 2HD LYS 28 -10.538 -19.703 5.398 196 HD3 LYS 28 3HD LYS 28 -11.213 -20.356 3.918 197 HE2 LYS 28 2HE LYS 28 -10.082 -22.492 4.246 198 HE3 LYS 28 3HE LYS 28 -9.123 -21.850 5.565 199 HZ1 LYS 28 1HZ LYS 28 -11.438 -23.143 5.927 200 HZ2 LYS 28 2HZ LYS 28 -10.859 -22.064 7.001 201 H LYS 29 HN LYS 29 -8.049 -18.312 2.016 202 HA LYS 29 HA LYS 29 -6.494 -19.828 0.224 203 HB2 LYS 29 2HB LYS 29 -8.354 -17.503 -0.351 204 HB3 LYS 29 3HB LYS 29 -7.796 -18.700 -1.503 205 HG2 LYS 29 2HG LYS 29 -9.219 -19.581 1.029 206 HG3 LYS 29 3HG LYS 29 -10.147 -19.013 -0.344 207 HD2 LYS 29 2HD LYS 29 -10.047 -21.258 -0.904 208 HD3 LYS 29 3HD LYS 29 -8.571 -20.729 -1.686 209 HE2 LYS 29 2HE LYS 29 -7.188 -21.690 -0.058 210 HE3 LYS 29 3HE LYS 29 -8.384 -21.528 1.213 211 HZ1 LYS 29 1HZ LYS 29 -9.385 -23.261 -0.784 212 HZ2 LYS 29 2HZ LYS 29 -7.906 -23.783 -0.346 213 H PHE 30 HN PHE 30 -6.692 -16.245 0.811 214 HA PHE 30 HA PHE 30 -4.850 -15.339 -0.880 215 HB2 PHE 30 2HB PHE 30 -6.211 -14.320 1.200 216 HB3 PHE 30 3HB PHE 30 -4.729 -14.615 2.088 217 HD1 PHE 30 HD1 PHE 30 -6.469 -12.342 -0.002 218 HD2 PHE 30 HD2 PHE 30 -2.566 -13.574 1.115 219 HE1 PHE 30 HE1 PHE 30 -5.546 -10.153 -0.814 220 HE2 PHE 30 HE2 PHE 30 -1.642 -11.385 0.304 221 HZ PHE 30 HZ PHE 30 -3.144 -9.701 -0.651 222 H PHE 31 HN PHE 31 -3.965 -16.368 2.501 223 HA PHE 31 HA PHE 31 -1.257 -16.193 2.199 224 HB2 PHE 31 2HB PHE 31 -3.161 -18.018 3.754 225 HB3 PHE 31 3HB PHE 31 -1.430 -18.184 3.970 226 HD1 PHE 31 HD1 PHE 31 -3.900 -17.165 5.791 227 HD2 PHE 31 HD2 PHE 31 -0.579 -15.340 3.881 228 HE1 PHE 31 HE1 PHE 31 -3.935 -15.321 7.493 229 HE2 PHE 31 HE2 PHE 31 -0.614 -13.495 5.584 230 HZ PHE 31 HZ PHE 31 -2.292 -13.508 7.369 231 H LYS 32 HN LYS 32 -3.484 -18.804 1.171 232 HA LYS 32 HA LYS 32 -1.339 -20.594 0.549 233 HB2 LYS 32 2HB LYS 32 -3.670 -21.252 1.287 234 HB3 LYS 32 3HB LYS 32 -4.242 -20.766 -0.296 235 HG2 LYS 32 2HG LYS 32 -1.874 -22.630 -0.178 236 HG3 LYS 32 3HG LYS 32 -3.448 -23.291 0.219 237 HD2 LYS 32 2HD LYS 32 -4.135 -21.951 -2.040 238 HD3 LYS 32 3HD LYS 32 -2.441 -22.218 -2.403 239 HE2 LYS 32 2HE LYS 32 -2.990 -24.718 -1.616 240 HE3 LYS 32 3HE LYS 32 -4.637 -24.257 -1.996 241 HZ1 LYS 32 1HZ LYS 32 -2.555 -24.890 -3.801 242 HZ2 LYS 32 2HZ LYS 32 -4.125 -24.623 -4.138 243 H ALA 33 HN ALA 33 -2.952 -17.896 -0.976 244 HA ALA 33 HA ALA 33 -2.373 -18.711 -3.653 245 HB1 ALA 33 1HB ALA 33 -2.780 -15.840 -3.140 246 HB2 ALA 33 2HB ALA 33 -3.706 -16.959 -4.169 247 HB3 ALA 33 3HB ALA 33 -4.042 -16.870 -2.423 248 H CYS 34 HN CYS 34 -1.110 -16.035 -1.530 249 HA CYS 34 HA CYS 34 1.028 -15.451 -3.205 250 HB2 CYS 34 2HB CYS 34 1.979 -14.324 -1.138 251 HB3 CYS 34 3HB CYS 34 0.388 -13.795 -1.646 252 HG CYS 34 HG CYS 34 -0.744 -14.238 0.379 253 H GLY 35 HN GLY 35 0.382 -18.082 -1.005 254 HA2 GLY 35 1HA GLY 35 1.681 -20.037 -1.050 255 HA3 GLY 35 2HA GLY 35 3.108 -19.095 -1.431 256 H LEU 36 HN LEU 36 1.772 -17.119 0.780 257 HA LEU 36 HA LEU 36 3.548 -17.454 2.755 258 HB2 LEU 36 2HB LEU 36 0.784 -16.378 2.618 259 HB3 LEU 36 3HB LEU 36 1.455 -16.635 4.216 260 HG LEU 36 HG LEU 36 2.779 -14.977 2.053 261 HD11 LEU 36 1HD1 LEU 36 1.007 -14.157 4.363 262 HD12 LEU 36 2HD1 LEU 36 2.086 -13.035 3.500 263 HD13 LEU 36 3HD1 LEU 36 0.768 -13.850 2.626 264 HD21 LEU 36 1HD2 LEU 36 4.032 -14.086 4.119 265 HD22 LEU 36 2HD2 LEU 36 3.470 -15.571 4.924 266 HD23 LEU 36 3HD2 LEU 36 4.492 -15.679 3.470 267 H SER 37 HN SER 37 0.729 -19.489 2.071 268 HA SER 37 HA SER 37 0.719 -20.740 4.588 269 HB2 SER 37 2HB SER 37 -1.025 -22.026 3.738 270 HB3 SER 37 3HB SER 37 -1.108 -20.632 2.679 271 HG SER 37 HG SER 37 0.547 -22.074 1.354 272 H GLY 38 HN GLY 38 2.314 -22.072 5.357 273 HA2 GLY 38 1HA GLY 38 3.504 -24.082 5.259 274 HA3 GLY 38 2HA GLY 38 3.509 -24.012 3.508 275 H LYS 39 HN LYS 39 4.156 -20.920 3.930 276 HA LYS 39 HA LYS 39 6.852 -21.097 3.365 277 HB2 LYS 39 2HB LYS 39 4.965 -18.920 4.154 278 HB3 LYS 39 3HB LYS 39 6.681 -18.575 4.238 279 HG2 LYS 39 2HG LYS 39 5.175 -19.608 1.789 280 HG3 LYS 39 3HG LYS 39 5.792 -17.983 2.009 281 HD2 LYS 39 2HD LYS 39 8.092 -19.396 2.447 282 HD3 LYS 39 3HD LYS 39 7.273 -20.509 1.368 283 HE2 LYS 39 2HE LYS 39 6.848 -18.430 -0.159 284 HE3 LYS 39 3HE LYS 39 8.045 -17.614 0.828 285 HZ1 LYS 39 1HZ LYS 39 8.453 -20.009 -0.860 286 HZ2 LYS 39 2HZ LYS 39 9.246 -18.589 -0.935 287 H SER 40 HN SER 40 8.280 -19.376 5.009 288 HA SER 40 HA SER 40 8.523 -21.074 7.342 289 HB2 SER 40 2HB SER 40 10.442 -18.949 6.290 290 HB3 SER 40 3HB SER 40 10.780 -20.105 7.562 291 HG SER 40 HG SER 40 11.393 -20.493 5.099 292 H THR 41 HN THR 41 8.350 -20.264 9.471 293 HA THR 41 HA THR 41 6.700 -18.088 9.913 294 HB THR 41 HB THR 41 8.663 -19.682 11.617 295 HG1 THR 41 HG1 THR 41 6.657 -20.654 12.143 296 HG21 THR 41 1HG2 THR 41 7.257 -17.161 12.288 297 HG22 THR 41 2HG2 THR 41 6.778 -18.521 13.332 298 HG23 THR 41 3HG2 THR 41 8.490 -18.044 13.220 299 H ASP 42 HN ASP 42 10.075 -18.144 9.090 300 HA ASP 42 HA ASP 42 10.885 -15.857 10.402 301 HB2 ASP 42 2HB ASP 42 11.731 -17.292 7.876 302 HB3 ASP 42 3HB ASP 42 12.445 -15.732 8.232 303 HD2 ASP 42 HD2 ASP 42 13.602 -19.071 9.605 304 H GLU 43 HN GLU 43 9.949 -16.311 6.898 305 HA GLU 43 HA GLU 43 9.861 -13.625 6.309 306 HB2 GLU 43 2HB GLU 43 8.992 -14.282 4.227 307 HB3 GLU 43 3HB GLU 43 9.824 -15.729 4.760 308 HG2 GLU 43 2HG GLU 43 7.676 -16.658 5.627 309 HG3 GLU 43 3HG GLU 43 6.836 -15.203 5.128 310 HE2 GLU 43 HE2 GLU 43 9.238 -16.887 2.957 311 H VAL 44 HN VAL 44 7.307 -15.879 7.495 312 HA VAL 44 HA VAL 44 5.059 -14.456 7.190 313 HB VAL 44 HB VAL 44 6.035 -16.013 9.586 314 HG11 VAL 44 1HG1 VAL 44 3.309 -14.841 9.002 315 HG12 VAL 44 2HG1 VAL 44 3.523 -16.262 10.052 316 HG13 VAL 44 3HG1 VAL 44 4.285 -14.713 10.485 317 HG21 VAL 44 1HG2 VAL 44 5.902 -17.269 7.477 318 HG22 VAL 44 2HG2 VAL 44 4.676 -17.823 8.642 319 HG23 VAL 44 3HG2 VAL 44 4.203 -16.773 7.285 320 H LYS 45 HN LYS 45 7.503 -13.962 9.824 321 HA LYS 45 HA LYS 45 6.142 -11.844 11.030 322 HB2 LYS 45 2HB LYS 45 9.118 -12.424 11.016 323 HB3 LYS 45 3HB LYS 45 8.263 -11.416 12.166 324 HG2 LYS 45 2HG LYS 45 7.244 -13.231 13.229 325 HG3 LYS 45 3HG LYS 45 7.243 -14.222 11.783 326 HD2 LYS 45 2HD LYS 45 9.544 -14.803 12.023 327 HD3 LYS 45 3HD LYS 45 9.871 -13.458 13.098 328 HE2 LYS 45 2HE LYS 45 8.014 -14.717 14.615 329 HE3 LYS 45 3HE LYS 45 8.573 -16.107 13.705 330 HZ1 LYS 45 1HZ LYS 45 10.873 -15.495 14.391 331 HZ2 LYS 45 2HZ LYS 45 10.284 -14.299 15.326 332 H LYS 46 HN LYS 46 8.837 -11.873 8.600 333 HA LYS 46 HA LYS 46 9.006 -9.116 8.341 334 HB2 LYS 46 2HB LYS 46 9.544 -11.074 6.106 335 HB3 LYS 46 3HB LYS 46 10.333 -9.543 6.428 336 HG2 LYS 46 2HG LYS 46 10.893 -10.751 8.780 337 HG3 LYS 46 3HG LYS 46 10.693 -12.196 7.809 338 HD2 LYS 46 2HD LYS 46 12.396 -11.411 6.204 339 HD3 LYS 46 3HD LYS 46 12.528 -9.877 7.042 340 HE2 LYS 46 2HE LYS 46 13.238 -11.177 9.130 341 HE3 LYS 46 3HE LYS 46 13.287 -12.623 8.142 342 HZ1 LYS 46 1HZ LYS 46 15.299 -10.747 8.388 343 HZ2 LYS 46 2HZ LYS 46 15.270 -11.985 7.330 344 H ALA 47 HN ALA 47 6.528 -11.356 7.359 345 HA ALA 47 HA ALA 47 5.524 -9.608 5.285 346 HB1 ALA 47 1HB ALA 47 5.206 -11.851 4.738 347 HB2 ALA 47 2HB ALA 47 4.834 -12.316 6.415 348 HB3 ALA 47 3HB ALA 47 3.628 -11.433 5.449 349 H PHE 48 HN PHE 48 4.858 -10.537 8.687 350 HA PHE 48 HA PHE 48 2.380 -9.232 8.857 351 HB2 PHE 48 2HB PHE 48 3.071 -10.895 10.507 352 HB3 PHE 48 3HB PHE 48 4.610 -10.098 10.770 353 HD1 PHE 48 HD1 PHE 48 4.667 -7.933 12.032 354 HD2 PHE 48 HD2 PHE 48 1.151 -10.293 11.765 355 HE1 PHE 48 HE1 PHE 48 3.702 -6.718 14.005 356 HE2 PHE 48 HE2 PHE 48 0.185 -9.079 13.737 357 HZ PHE 48 HZ PHE 48 1.472 -7.306 14.834 358 H ALA 49 HN ALA 49 5.676 -8.063 8.759 359 HA ALA 49 HA ALA 49 5.039 -5.601 10.131 360 HB1 ALA 49 1HB ALA 49 7.298 -7.016 10.001 361 HB2 ALA 49 2HB ALA 49 7.553 -6.023 8.546 362 HB3 ALA 49 3HB ALA 49 7.321 -5.240 10.127 363 H ILE 50 HN ILE 50 4.393 -6.921 7.098 364 HA ILE 50 HA ILE 50 4.960 -4.609 5.519 365 HB ILE 50 HB ILE 50 3.223 -7.006 4.924 366 HG12 ILE 50 2HG1 ILE 50 5.589 -7.548 5.594 367 HG13 ILE 50 3HG1 ILE 50 5.114 -8.085 3.995 368 HG21 ILE 50 1HG2 ILE 50 3.982 -4.611 3.401 369 HG22 ILE 50 2HG2 ILE 50 4.293 -6.146 2.554 370 HG23 ILE 50 3HG2 ILE 50 2.656 -5.772 3.145 371 HD11 ILE 50 1HD1 ILE 50 6.360 -6.377 2.905 372 HD12 ILE 50 2HD1 ILE 50 6.472 -5.396 4.386 373 HD13 ILE 50 3HD1 ILE 50 7.416 -6.898 4.240 374 H ILE 51 HN ILE 51 1.950 -6.161 6.832 375 HA ILE 51 HA ILE 51 0.266 -4.101 5.945 376 HB ILE 51 HB ILE 51 -0.256 -5.883 8.310 377 HG12 ILE 51 2HG1 ILE 51 -1.200 -7.133 5.947 378 HG13 ILE 51 3HG1 ILE 51 0.479 -6.725 5.654 379 HG21 ILE 51 1HG2 ILE 51 -2.397 -5.301 8.074 380 HG22 ILE 51 2HG2 ILE 51 -1.795 -3.964 7.064 381 HG23 ILE 51 3HG2 ILE 51 -2.346 -5.476 6.303 382 HD11 ILE 51 1HD1 ILE 51 0.706 -7.682 8.196 383 HD12 ILE 51 2HD1 ILE 51 -0.697 -8.624 7.640 384 HD13 ILE 51 3HD1 ILE 51 0.843 -8.715 6.753 385 H ASP 52 HN ASP 52 1.347 -4.855 9.337 386 HA ASP 52 HA ASP 52 0.428 -2.744 10.603 387 HB2 ASP 52 2HB ASP 52 3.278 -3.820 10.834 388 HB3 ASP 52 3HB ASP 52 2.494 -2.835 12.053 389 HD2 ASP 52 HD2 ASP 52 1.548 -6.612 11.328 390 H GLN 53 HN GLN 53 0.365 -0.641 9.736 391 HA GLN 53 HA GLN 53 2.700 0.328 8.364 392 HB2 GLN 53 2HB GLN 53 0.076 1.789 8.875 393 HB3 GLN 53 3HB GLN 53 1.290 2.189 7.676 394 HG2 GLN 53 2HG GLN 53 0.885 -0.069 6.589 395 HG3 GLN 53 3HG GLN 53 -0.413 -0.346 7.733 396 HE21 GLN 53 1HE2 GLN 53 -2.372 0.316 7.251 397 HE22 GLN 53 2HE2 GLN 53 -2.816 1.427 5.998 398 H ASP 54 HN ASP 54 1.410 0.303 11.454 399 HA ASP 54 HA ASP 54 3.018 2.697 12.288 400 HB2 ASP 54 2HB ASP 54 1.378 2.770 14.184 401 HB3 ASP 54 3HB ASP 54 0.608 2.958 12.611 402 H LYS 55 HN LYS 55 2.975 -0.744 12.300 403 HA LYS 55 HA LYS 55 3.788 -2.297 13.684 404 HB2 LYS 55 2HB LYS 55 6.083 -0.472 14.290 405 HB3 LYS 55 3HB LYS 55 6.086 -2.168 13.849 406 HG2 LYS 55 2HG LYS 55 5.387 0.140 11.971 407 HG3 LYS 55 3HG LYS 55 6.913 -0.722 11.989 408 HD2 LYS 55 2HD LYS 55 4.190 -1.986 11.418 409 HD3 LYS 55 3HD LYS 55 5.376 -1.559 10.201 410 HE2 LYS 55 2HE LYS 55 5.903 -3.811 10.507 411 HE3 LYS 55 3HE LYS 55 7.003 -3.083 11.661 412 HZ1 LYS 55 1HZ LYS 55 4.301 -3.827 12.563 413 HZ2 LYS 55 2HZ LYS 55 5.430 -4.993 12.424 414 H SER 56 HN SER 56 1.813 -0.679 14.966 415 HA SER 56 HA SER 56 2.569 0.414 17.339 416 HB2 SER 56 2HB SER 56 0.169 -0.479 18.062 417 HB3 SER 56 3HB SER 56 0.332 0.782 16.856 418 HG SER 56 HG SER 56 -0.049 -2.047 16.365 419 H GLY 57 HN GLY 57 2.660 -2.914 16.315 420 HA2 GLY 57 1HA GLY 57 4.089 -4.293 17.774 421 HA3 GLY 57 2HA GLY 57 3.082 -3.781 19.114 422 H PHE 58 HN PHE 58 0.601 -3.821 17.295 423 HA PHE 58 HA PHE 58 0.378 -6.664 16.752 424 HB2 PHE 58 2HB PHE 58 -1.168 -4.986 18.796 425 HB3 PHE 58 3HB PHE 58 -1.913 -6.406 18.091 426 HD1 PHE 58 HD1 PHE 58 -1.488 -8.530 18.977 427 HD2 PHE 58 HD2 PHE 58 1.066 -5.304 20.018 428 HE1 PHE 58 HE1 PHE 58 -0.367 -9.972 20.698 429 HE2 PHE 58 HE2 PHE 58 2.187 -6.747 21.739 430 HZ PHE 58 HZ PHE 58 1.457 -9.064 22.059 431 H ILE 59 HN ILE 59 -1.788 -7.163 15.666 432 HA ILE 59 HA ILE 59 -2.420 -4.912 13.913 433 HB ILE 59 HB ILE 59 -2.764 -7.895 13.639 434 HG12 ILE 59 2HG1 ILE 59 -1.035 -5.875 12.182 435 HG13 ILE 59 3HG1 ILE 59 -0.486 -7.107 13.300 436 HG21 ILE 59 1HG2 ILE 59 -4.433 -5.933 12.533 437 HG22 ILE 59 2HG2 ILE 59 -3.319 -6.403 11.226 438 HG23 ILE 59 3HG2 ILE 59 -4.295 -7.642 12.052 439 HD11 ILE 59 1HD1 ILE 59 -0.246 -8.467 11.499 440 HD12 ILE 59 2HD1 ILE 59 -2.023 -8.550 11.440 441 HD13 ILE 59 3HD1 ILE 59 -1.155 -7.349 10.454 442 H GLU 60 HN GLU 60 -3.774 -3.754 15.397 443 HA GLU 60 HA GLU 60 -5.819 -4.915 16.814 444 HB2 GLU 60 2HB GLU 60 -5.659 -2.100 15.649 445 HB3 GLU 60 3HB GLU 60 -6.769 -2.598 16.910 446 HG2 GLU 60 2HG GLU 60 -5.080 -1.833 18.281 447 HG3 GLU 60 3HG GLU 60 -4.471 -3.461 18.055 448 HE2 GLU 60 HE2 GLU 60 -1.682 -1.986 17.573 449 H GLU 61 HN GLU 61 -8.237 -4.623 16.442 450 HA GLU 61 HA GLU 61 -9.045 -5.949 14.248 451 HB2 GLU 61 2HB GLU 61 -10.425 -5.508 16.276 452 HB3 GLU 61 3HB GLU 61 -10.629 -3.839 15.781 453 HG2 GLU 61 2HG GLU 61 -11.366 -5.989 13.798 454 HG3 GLU 61 3HG GLU 61 -12.438 -5.737 15.161 455 HE2 GLU 61 HE2 GLU 61 -13.020 -2.639 14.866 456 H GLU 62 HN GLU 62 -8.950 -2.351 14.694 457 HA GLU 62 HA GLU 62 -10.041 -1.703 12.264 458 HB2 GLU 62 2HB GLU 62 -7.898 -0.176 13.808 459 HB3 GLU 62 3HB GLU 62 -8.959 0.506 12.591 460 HG2 GLU 62 2HG GLU 62 -10.945 -0.202 14.021 461 HG3 GLU 62 3HG GLU 62 -9.813 -0.697 15.265 462 HE2 GLU 62 HE2 GLU 62 -8.308 1.698 15.936 463 H GLU 63 HN GLU 63 -6.819 -2.890 13.108 464 HA GLU 63 HA GLU 63 -5.705 -2.062 10.611 465 HB2 GLU 63 2HB GLU 63 -4.691 -3.646 12.989 466 HB3 GLU 63 3HB GLU 63 -3.766 -3.596 11.501 467 HG2 GLU 63 2HG GLU 63 -4.084 -0.982 11.665 468 HG3 GLU 63 3HG GLU 63 -4.500 -1.294 13.339 469 H LEU 64 HN LEU 64 -7.207 -4.944 12.060 470 HA LEU 64 HA LEU 64 -6.296 -6.875 10.308 471 HB2 LEU 64 2HB LEU 64 -8.599 -6.513 12.127 472 HB3 LEU 64 3HB LEU 64 -8.805 -7.715 10.868 473 HG LEU 64 HG LEU 64 -6.521 -7.665 12.860 474 HD11 LEU 64 1HD1 LEU 64 -9.086 -8.241 13.489 475 HD12 LEU 64 2HD1 LEU 64 -8.525 -9.840 12.944 476 HD13 LEU 64 3HD1 LEU 64 -7.673 -9.000 14.262 477 HD21 LEU 64 1HD2 LEU 64 -6.564 -8.862 10.384 478 HD22 LEU 64 2HD2 LEU 64 -5.553 -9.353 11.764 479 HD23 LEU 64 3HD2 LEU 64 -7.104 -10.173 11.461 480 H LYS 65 HN LYS 65 -9.193 -4.709 10.061 481 HA LYS 65 HA LYS 65 -10.077 -5.706 7.622 482 HB2 LYS 65 2HB LYS 65 -11.625 -4.022 7.700 483 HB3 LYS 65 3HB LYS 65 -11.152 -4.079 9.387 484 HG2 LYS 65 2HG LYS 65 -9.552 -2.212 9.029 485 HG3 LYS 65 3HG LYS 65 -9.940 -2.182 7.321 486 HD2 LYS 65 2HD LYS 65 -11.204 -0.417 8.454 487 HD3 LYS 65 3HD LYS 65 -12.322 -1.635 7.874 488 HE2 LYS 65 2HE LYS 65 -12.807 -2.427 10.024 489 HE3 LYS 65 3HE LYS 65 -11.241 -1.973 10.666 490 HZ1 LYS 65 1HZ LYS 65 -13.368 -0.549 11.199 491 HZ2 LYS 65 2HZ LYS 65 -11.932 0.192 10.994 492 H LEU 66 HN LEU 66 -7.235 -3.912 8.432 493 HA LEU 66 HA LEU 66 -6.988 -2.874 5.721 494 HB2 LEU 66 2HB LEU 66 -5.281 -2.476 8.181 495 HB3 LEU 66 3HB LEU 66 -4.997 -1.730 6.621 496 HG LEU 66 HG LEU 66 -7.363 -1.268 8.454 497 HD11 LEU 66 1HD1 LEU 66 -5.074 -0.213 8.947 498 HD12 LEU 66 2HD1 LEU 66 -5.370 0.784 7.502 499 HD13 LEU 66 3HD1 LEU 66 -6.493 0.859 8.881 500 HD21 LEU 66 1HD2 LEU 66 -7.071 -0.814 5.573 501 HD22 LEU 66 2HD2 LEU 66 -8.526 -0.825 6.598 502 HD23 LEU 66 3HD2 LEU 66 -7.527 0.644 6.485 503 H PHE 67 HN PHE 67 -7.008 -5.798 6.349 504 HA PHE 67 HA PHE 67 -4.312 -6.678 6.207 505 HB2 PHE 67 2HB PHE 67 -6.177 -8.031 7.156 506 HB3 PHE 67 3HB PHE 67 -7.075 -7.908 5.656 507 HD1 PHE 67 HD1 PHE 67 -7.233 -9.972 4.655 508 HD2 PHE 67 HD2 PHE 67 -3.545 -8.864 6.437 509 HE1 PHE 67 HE1 PHE 67 -6.205 -12.120 3.862 510 HE2 PHE 67 HE2 PHE 67 -2.517 -11.012 5.645 511 HZ PHE 67 HZ PHE 67 -3.859 -12.615 4.367 512 H LEU 68 HN LEU 68 -6.147 -5.014 3.976 513 HA LEU 68 HA LEU 68 -4.858 -6.427 1.745 514 HB2 LEU 68 2HB LEU 68 -7.557 -5.133 1.977 515 HB3 LEU 68 3HB LEU 68 -6.766 -5.280 0.420 516 HG LEU 68 HG LEU 68 -7.705 -7.488 2.252 517 HD11 LEU 68 1HD1 LEU 68 -8.536 -6.365 -0.375 518 HD12 LEU 68 2HD1 LEU 68 -8.660 -8.128 -0.160 519 HD13 LEU 68 3HD1 LEU 68 -9.511 -7.033 0.956 520 HD21 LEU 68 1HD2 LEU 68 -5.538 -7.551 0.233 521 HD22 LEU 68 2HD2 LEU 68 -5.829 -8.588 1.650 522 HD23 LEU 68 3HD2 LEU 68 -6.736 -8.864 0.144 523 H GLN 69 HN GLN 69 -4.830 -3.704 3.745 524 HA GLN 69 HA GLN 69 -4.102 -1.882 1.646 525 HB2 GLN 69 2HB GLN 69 -4.380 -1.622 4.663 526 HB3 GLN 69 3HB GLN 69 -3.718 -0.327 3.686 527 HG2 GLN 69 2HG GLN 69 -5.937 -0.790 2.220 528 HG3 GLN 69 3HG GLN 69 -6.527 -1.418 3.746 529 HE21 GLN 69 1HE2 GLN 69 -7.984 0.491 3.182 530 HE22 GLN 69 2HE2 GLN 69 -7.583 2.020 3.889 531 H ASN 70 HN ASN 70 -2.573 -4.430 3.051 532 HA ASN 70 HA ASN 70 -0.113 -3.130 3.686 533 HB2 ASN 70 2HB ASN 70 0.690 -5.384 4.210 534 HB3 ASN 70 3HB ASN 70 -0.935 -5.233 4.849 535 HD21 ASN 70 1HD2 ASN 70 -2.687 -6.188 3.754 536 HD22 ASN 70 2HD2 ASN 70 -2.478 -7.525 2.674 537 H PHE 71 HN PHE 71 -1.500 -5.323 1.150 538 HA PHE 71 HA PHE 71 0.932 -5.292 -0.372 539 HB2 PHE 71 2HB PHE 71 -1.942 -6.190 -1.012 540 HB3 PHE 71 3HB PHE 71 -0.520 -6.659 -1.923 541 HD1 PHE 71 HD1 PHE 71 1.398 -7.733 -0.329 542 HD2 PHE 71 HD2 PHE 71 -2.774 -7.755 0.449 543 HE1 PHE 71 HE1 PHE 71 1.685 -9.738 1.152 544 HE2 PHE 71 HE2 PHE 71 -2.487 -9.761 1.930 545 HZ PHE 71 HZ PHE 71 -0.261 -10.728 2.264 546 H LYS 72 HN LYS 72 -1.231 -2.897 0.209 547 HA LYS 72 HA LYS 72 -0.487 -1.399 -2.019 548 HB2 LYS 72 2HB LYS 72 -2.027 -2.988 -3.189 549 HB3 LYS 72 3HB LYS 72 -3.343 -2.402 -2.190 550 HG2 LYS 72 2HG LYS 72 -3.571 -1.021 -4.064 551 HG3 LYS 72 3HG LYS 72 -2.577 -0.010 -3.034 552 HD2 LYS 72 2HD LYS 72 -1.495 0.052 -5.160 553 HD3 LYS 72 3HD LYS 72 -0.525 -1.050 -4.204 554 HE2 LYS 72 2HE LYS 72 -0.814 -2.194 -6.269 555 HE3 LYS 72 3HE LYS 72 -1.978 -2.957 -5.203 556 HZ1 LYS 72 1HZ LYS 72 -3.377 -2.447 -6.911 557 HZ2 LYS 72 2HZ LYS 72 -3.466 -0.981 -6.208 558 H ALA 73 HN ALA 73 -1.262 0.805 -1.851 559 HA ALA 73 HA ALA 73 -2.305 1.331 0.834 560 HB1 ALA 73 1HB ALA 73 -1.458 3.741 -0.201 561 HB2 ALA 73 2HB ALA 73 -0.460 2.650 0.791 562 HB3 ALA 73 3HB ALA 73 -0.346 2.593 -0.985 563 H GLY 74 HN GLY 74 -3.866 0.451 -1.647 564 HA2 GLY 74 1HA GLY 74 -5.870 2.573 -1.467 565 HA3 GLY 74 2HA GLY 74 -5.235 2.199 -3.057 566 H ALA 75 HN ALA 75 -5.279 -0.447 -0.754 567 HA ALA 75 HA ALA 75 -7.286 -1.766 -2.367 568 HB1 ALA 75 1HB ALA 75 -6.353 -3.288 -0.091 569 HB2 ALA 75 2HB ALA 75 -6.071 -3.575 -1.825 570 HB3 ALA 75 3HB ALA 75 -4.971 -2.520 -0.907 571 H ARG 76 HN ARG 76 -9.334 -2.410 -1.652 572 HA ARG 76 HA ARG 76 -10.632 -0.785 0.058 573 HB2 ARG 76 2HB ARG 76 -12.438 -2.490 0.063 574 HB3 ARG 76 3HB ARG 76 -11.744 -2.336 -1.539 575 HG2 ARG 76 2HG ARG 76 -10.708 -4.425 -1.455 576 HG3 ARG 76 3HG ARG 76 -10.500 -4.378 0.285 577 HD2 ARG 76 2HD ARG 76 -12.929 -4.784 0.617 578 HD3 ARG 76 3HD ARG 76 -13.194 -4.745 -1.115 579 HE ARG 76 HE ARG 76 -11.231 -6.692 -0.788 580 HH11 ARG 76 HH1 ARG 76 -13.109 -9.479 0.089 581 HH21 ARG 76 1HH2 ARG 76 -14.794 -7.897 0.721 582 HH22 ARG 76 2HH2 ARG 76 -14.484 -6.204 0.529 583 H ALA 77 HN ALA 77 -12.016 -1.990 2.064 584 HA ALA 77 HA ALA 77 -9.952 -3.157 3.803 585 HB1 ALA 77 1HB ALA 77 -11.219 -1.896 5.652 586 HB2 ALA 77 2HB ALA 77 -10.217 -0.915 4.554 587 HB3 ALA 77 3HB ALA 77 -11.984 -0.968 4.340 588 H LEU 78 HN LEU 78 -10.489 -5.152 4.529 589 HA LEU 78 HA LEU 78 -12.680 -6.535 3.774 590 HB2 LEU 78 2HB LEU 78 -10.776 -6.747 6.057 591 HB3 LEU 78 3HB LEU 78 -12.197 -7.772 6.074 592 HG LEU 78 HG LEU 78 -11.515 -9.016 4.258 593 HD11 LEU 78 1HD1 LEU 78 -9.742 -8.233 2.636 594 HD12 LEU 78 2HD1 LEU 78 -11.283 -7.344 2.594 595 HD13 LEU 78 3HD1 LEU 78 -9.866 -6.630 3.401 596 HD21 LEU 78 1HD2 LEU 78 -8.701 -8.594 4.715 597 HD22 LEU 78 2HD2 LEU 78 -9.592 -8.526 6.254 598 HD23 LEU 78 3HD2 LEU 78 -9.741 -9.954 5.202 599 H SER 79 HN SER 79 -14.812 -6.748 4.356 600 HA SER 79 HA SER 79 -15.986 -4.650 5.708 601 HB2 SER 79 2HB SER 79 -17.019 -6.303 4.020 602 HB3 SER 79 3HB SER 79 -17.210 -7.416 5.360 603 HG SER 79 HG SER 79 -18.913 -6.313 6.044 604 H ASP 80 HN ASP 80 -17.534 -5.013 7.696 605 HA ASP 80 HA ASP 80 -15.991 -5.537 9.877 606 HB2 ASP 80 2HB ASP 80 -18.403 -5.903 10.972 607 HB3 ASP 80 3HB ASP 80 -17.891 -4.321 10.418 608 HD2 ASP 80 HD2 ASP 80 -20.994 -6.085 8.722 609 H ALA 81 HN ALA 81 -17.609 -7.706 7.670 610 HA ALA 81 HA ALA 81 -17.799 -9.876 9.578 611 HB1 ALA 81 1HB ALA 81 -18.900 -11.046 7.800 612 HB2 ALA 81 2HB ALA 81 -19.495 -9.370 7.742 613 HB3 ALA 81 3HB ALA 81 -18.268 -9.920 6.576 614 H GLU 82 HN GLU 82 -16.187 -9.360 6.353 615 HA GLU 82 HA GLU 82 -14.618 -11.537 6.377 616 HB2 GLU 82 2HB GLU 82 -13.976 -8.736 5.362 617 HB3 GLU 82 3HB GLU 82 -13.004 -10.141 4.975 618 HG2 GLU 82 2HG GLU 82 -14.437 -10.214 3.160 619 HG3 GLU 82 3HG GLU 82 -15.393 -11.168 4.276 620 HE2 GLU 82 HE2 GLU 82 -15.236 -8.214 2.630 621 H THR 83 HN THR 83 -13.997 -8.377 8.005 622 HA THR 83 HA THR 83 -11.400 -9.056 8.895 623 HB THR 83 HB THR 83 -13.498 -7.006 9.770 624 HG1 THR 83 HG1 THR 83 -12.494 -5.927 8.104 625 HG21 THR 83 1HG2 THR 83 -10.806 -7.671 10.868 626 HG22 THR 83 2HG2 THR 83 -10.999 -5.971 10.378 627 HG23 THR 83 3HG2 THR 83 -12.103 -6.681 11.581 628 H LYS 84 HN LYS 84 -14.658 -9.777 10.074 629 HA LYS 84 HA LYS 84 -13.813 -10.451 12.698 630 HB2 LYS 84 2HB LYS 84 -16.307 -10.579 11.096 631 HB3 LYS 84 3HB LYS 84 -16.170 -11.761 12.382 632 HG2 LYS 84 2HG LYS 84 -15.740 -9.987 14.038 633 HG3 LYS 84 3HG LYS 84 -15.692 -8.770 12.778 634 HD2 LYS 84 2HD LYS 84 -18.063 -9.143 12.244 635 HD3 LYS 84 3HD LYS 84 -18.141 -10.505 13.344 636 HE2 LYS 84 2HE LYS 84 -18.031 -9.137 15.271 637 HE3 LYS 84 3HE LYS 84 -17.262 -7.814 14.417 638 HZ1 LYS 84 1HZ LYS 84 -19.502 -7.757 13.119 639 HZ2 LYS 84 2HZ LYS 84 -20.106 -8.575 14.391 640 H ALA 85 HN ALA 85 -14.304 -12.236 9.612 641 HA ALA 85 HA ALA 85 -13.894 -14.787 10.727 642 HB1 ALA 85 1HB ALA 85 -15.018 -14.416 8.581 643 HB2 ALA 85 2HB ALA 85 -13.528 -13.722 7.898 644 HB3 ALA 85 3HB ALA 85 -13.583 -15.443 8.347 645 H PHE 86 HN PHE 86 -11.709 -12.429 9.050 646 HA PHE 86 HA PHE 86 -9.440 -14.068 9.239 647 HB2 PHE 86 2HB PHE 86 -9.907 -12.012 7.749 648 HB3 PHE 86 3HB PHE 86 -9.730 -11.005 9.171 649 HD1 PHE 86 HD1 PHE 86 -7.652 -13.959 8.342 650 HD2 PHE 86 HD2 PHE 86 -7.858 -9.724 8.535 651 HE1 PHE 86 HE1 PHE 86 -5.179 -13.820 7.937 652 HE2 PHE 86 HE2 PHE 86 -5.384 -9.586 8.130 653 HZ PHE 86 HZ PHE 86 -4.075 -11.635 7.835 654 H LEU 87 HN LEU 87 -11.197 -12.279 11.622 655 HA LEU 87 HA LEU 87 -8.887 -11.784 13.279 656 HB2 LEU 87 2HB LEU 87 -10.620 -10.142 13.254 657 HB3 LEU 87 3HB LEU 87 -11.849 -11.335 13.626 658 HG LEU 87 HG LEU 87 -10.787 -11.684 15.859 659 HD11 LEU 87 1HD1 LEU 87 -9.229 -9.153 15.515 660 HD12 LEU 87 2HD1 LEU 87 -8.977 -10.514 16.634 661 HD13 LEU 87 3HD1 LEU 87 -8.538 -10.681 14.918 662 HD21 LEU 87 1HD2 LEU 87 -12.505 -9.689 15.014 663 HD22 LEU 87 2HD2 LEU 87 -12.190 -10.169 16.699 664 HD23 LEU 87 3HD2 LEU 87 -11.294 -8.810 15.978 665 H LYS 88 HN LYS 88 -11.917 -13.783 13.489 666 HA LYS 88 HA LYS 88 -10.911 -15.227 15.720 667 HB2 LYS 88 2HB LYS 88 -13.356 -15.259 14.014 668 HB3 LYS 88 3HB LYS 88 -12.969 -16.736 14.873 669 HG2 LYS 88 2HG LYS 88 -13.042 -15.648 17.014 670 HG3 LYS 88 3HG LYS 88 -12.955 -14.050 16.301 671 HD2 LYS 88 2HD LYS 88 -15.243 -14.241 16.841 672 HD3 LYS 88 3HD LYS 88 -15.222 -14.659 15.139 673 HE2 LYS 88 2HE LYS 88 -16.591 -16.296 16.350 674 HE3 LYS 88 3HE LYS 88 -15.154 -17.092 15.740 675 HZ1 LYS 88 1HZ LYS 88 -15.751 -16.324 18.522 676 HZ2 LYS 88 2HZ LYS 88 -15.234 -17.761 17.958 677 H ALA 89 HN ALA 89 -10.447 -15.365 12.277 678 HA ALA 89 HA ALA 89 -10.023 -18.113 11.974 679 HB1 ALA 89 1HB ALA 89 -10.274 -16.931 9.982 680 HB2 ALA 89 2HB ALA 89 -9.222 -15.599 10.517 681 HB3 ALA 89 3HB ALA 89 -8.509 -17.157 10.034 682 H GLY 90 HN GLY 90 -7.914 -15.400 13.038 683 HA2 GLY 90 1HA GLY 90 -5.772 -17.369 13.559 684 HA3 GLY 90 2HA GLY 90 -5.534 -15.661 13.251 685 H ASP 91 HN ASP 91 -7.246 -14.299 14.854 686 HA ASP 91 HA ASP 91 -6.049 -14.419 17.299 687 HB2 ASP 91 2HB ASP 91 -7.737 -12.690 16.081 688 HB3 ASP 91 3HB ASP 91 -8.906 -13.477 17.123 689 HD2 ASP 91 HD2 ASP 91 -8.186 -10.624 18.474 690 H SER 92 HN SER 92 -6.104 -16.386 18.468 691 HA SER 92 HA SER 92 -8.644 -17.746 18.651 692 HB2 SER 92 2HB SER 92 -6.313 -18.853 18.197 693 HB3 SER 92 3HB SER 92 -6.043 -18.662 19.918 694 HG SER 92 HG SER 92 -6.944 -20.717 19.602 695 H ASP 93 HN ASP 93 -7.387 -15.230 20.098 696 HA ASP 93 HA ASP 93 -8.332 -15.978 22.847 697 HB2 ASP 93 2HB ASP 93 -6.666 -13.990 23.380 698 HB3 ASP 93 3HB ASP 93 -6.038 -15.611 23.093 699 H GLY 94 HN GLY 94 -9.262 -14.293 20.083 700 HA2 GLY 94 1HA GLY 94 -10.384 -12.353 19.694 701 HA3 GLY 94 2HA GLY 94 -11.356 -12.946 21.026 702 H ASP 95 HN ASP 95 -8.275 -11.130 20.387 703 HA ASP 95 HA ASP 95 -8.858 -9.630 22.814 704 HB2 ASP 95 2HB ASP 95 -6.227 -9.885 21.283 705 HB3 ASP 95 3HB ASP 95 -6.443 -9.028 22.796 706 HD2 ASP 95 HD2 ASP 95 -7.001 -10.652 24.716 707 H GLY 96 HN GLY 96 -9.498 -9.499 19.624 708 HA2 GLY 96 1HA GLY 96 -10.085 -7.799 18.258 709 HA3 GLY 96 2HA GLY 96 -9.661 -6.653 19.514 710 H LYS 97 HN LYS 97 -7.014 -8.722 19.159 711 HA LYS 97 HA LYS 97 -5.856 -7.121 17.001 712 HB2 LYS 97 2HB LYS 97 -4.363 -7.673 19.571 713 HB3 LYS 97 3HB LYS 97 -3.892 -6.625 18.249 714 HG2 LYS 97 2HG LYS 97 -5.539 -4.988 18.787 715 HG3 LYS 97 3HG LYS 97 -6.490 -6.115 19.732 716 HD2 LYS 97 2HD LYS 97 -5.034 -4.368 21.012 717 HD3 LYS 97 3HD LYS 97 -5.020 -6.025 21.582 718 HE2 LYS 97 2HE LYS 97 -2.835 -6.396 20.902 719 HE3 LYS 97 3HE LYS 97 -2.982 -5.370 19.489 720 HZ1 LYS 97 1HZ LYS 97 -2.022 -4.671 22.076 721 HZ2 LYS 97 2HZ LYS 97 -1.919 -3.816 20.694 722 H ILE 98 HN ILE 98 -3.942 -8.166 16.007 723 HA ILE 98 HA ILE 98 -3.904 -11.054 16.524 724 HB ILE 98 HB ILE 98 -4.378 -9.584 13.971 725 HG12 ILE 98 2HG1 ILE 98 -5.538 -11.946 15.423 726 HG13 ILE 98 3HG1 ILE 98 -6.338 -10.505 14.828 727 HG21 ILE 98 1HG2 ILE 98 -3.622 -11.489 12.650 728 HG22 ILE 98 2HG2 ILE 98 -2.274 -10.778 13.570 729 HG23 ILE 98 3HG2 ILE 98 -3.027 -12.293 14.122 730 HD11 ILE 98 1HD1 ILE 98 -5.752 -11.293 12.453 731 HD12 ILE 98 2HD1 ILE 98 -5.266 -12.838 13.190 732 HD13 ILE 98 3HD1 ILE 98 -6.951 -12.278 13.325 733 H GLY 99 HN GLY 99 -1.952 -11.350 17.489 734 HA2 GLY 99 1HA GLY 99 0.294 -9.672 16.910 735 HA3 GLY 99 2HA GLY 99 0.251 -11.092 17.937 736 H ILE 100 HN ILE 100 2.430 -11.480 16.874 737 HA ILE 100 HA ILE 100 2.312 -12.312 14.114 738 HB ILE 100 HB ILE 100 4.213 -11.095 15.501 739 HG12 ILE 100 2HG1 ILE 100 4.155 -11.526 13.064 740 HG13 ILE 100 3HG1 ILE 100 5.759 -11.676 13.754 741 HG21 ILE 100 1HG2 ILE 100 4.581 -12.847 17.122 742 HG22 ILE 100 2HG2 ILE 100 4.876 -14.033 15.828 743 HG23 ILE 100 3HG2 ILE 100 6.016 -12.689 16.080 744 HD11 ILE 100 1HD1 ILE 100 3.868 -13.957 13.028 745 HD12 ILE 100 2HD1 ILE 100 5.412 -13.549 12.243 746 HD13 ILE 100 3HD1 ILE 100 5.399 -14.183 13.906 747 H ASP 101 HN ASP 101 2.469 -13.737 17.397 748 HA ASP 101 HA ASP 101 2.998 -16.326 16.534 749 HB2 ASP 101 2HB ASP 101 1.300 -15.815 18.974 750 HB3 ASP 101 3HB ASP 101 2.620 -16.950 18.772 751 HD2 ASP 101 HD2 ASP 101 4.960 -15.649 19.595 752 H GLU 102 HN GLU 102 0.131 -14.282 16.582 753 HA GLU 102 HA GLU 102 -1.622 -16.564 16.323 754 HB2 GLU 102 2HB GLU 102 -2.020 -13.605 16.788 755 HB3 GLU 102 3HB GLU 102 -3.352 -14.552 16.156 756 HG2 GLU 102 2HG GLU 102 -3.486 -15.912 18.092 757 HG3 GLU 102 3HG GLU 102 -1.837 -15.566 18.575 758 H PHE 103 HN PHE 103 -0.400 -13.712 14.494 759 HA PHE 103 HA PHE 103 -2.014 -14.162 12.228 760 HB2 PHE 103 2HB PHE 103 -0.989 -11.987 12.628 761 HB3 PHE 103 3HB PHE 103 0.586 -12.700 12.911 762 HD1 PHE 103 HD1 PHE 103 2.152 -12.749 11.194 763 HD2 PHE 103 HD2 PHE 103 -1.945 -12.231 10.220 764 HE1 PHE 103 HE1 PHE 103 2.775 -12.324 8.800 765 HE2 PHE 103 HE2 PHE 103 -1.323 -11.806 7.825 766 HZ PHE 103 HZ PHE 103 1.030 -11.858 7.144 767 H ALA 104 HN ALA 104 1.100 -15.455 13.364 768 HA ALA 104 HA ALA 104 1.688 -16.584 10.764 769 HB1 ALA 104 1HB ALA 104 3.705 -17.449 11.983 770 HB2 ALA 104 2HB ALA 104 3.522 -15.680 12.076 771 HB3 ALA 104 3HB ALA 104 3.078 -16.695 13.469 772 H ALA 105 HN ALA 105 -0.348 -17.294 13.373 773 HA ALA 105 HA ALA 105 0.088 -20.137 13.385 774 HB1 ALA 105 1HB ALA 105 -2.433 -19.173 14.516 775 HB2 ALA 105 2HB ALA 105 -1.078 -20.011 15.309 776 HB3 ALA 105 3HB ALA 105 -1.037 -18.243 15.109 777 H MET 106 HN MET 106 -2.567 -17.886 12.331 778 HA MET 106 HA MET 106 -4.221 -19.721 11.256 779 HB2 MET 106 2HB MET 106 -4.896 -17.802 9.685 780 HB3 MET 106 3HB MET 106 -4.828 -17.360 11.379 781 HG2 MET 106 2HG MET 106 -2.321 -16.684 10.839 782 HG3 MET 106 3HG MET 106 -2.861 -16.678 9.172 783 HE1 MET 106 1HE MET 106 -6.041 -16.069 10.434 784 HE2 MET 106 2HE MET 106 -6.176 -14.370 9.920 785 HE3 MET 106 3HE MET 106 -5.531 -15.590 8.797 786 H ILE 107 HN ILE 107 -1.041 -18.798 10.123 787 HA ILE 107 HA ILE 107 -1.566 -20.052 7.530 788 HB ILE 107 HB ILE 107 0.844 -19.091 7.163 789 HG12 ILE 107 2HG1 ILE 107 -0.173 -17.247 9.345 790 HG13 ILE 107 3HG1 ILE 107 1.105 -18.426 9.560 791 HG21 ILE 107 1HG2 ILE 107 -1.466 -17.147 7.256 792 HG22 ILE 107 2HG2 ILE 107 -0.106 -17.209 6.109 793 HG23 ILE 107 3HG2 ILE 107 -1.364 -18.467 6.066 794 HD11 ILE 107 1HD1 ILE 107 2.644 -17.132 8.482 795 HD12 ILE 107 2HD1 ILE 107 1.506 -16.714 7.179 796 HD13 ILE 107 3HD1 ILE 107 1.474 -15.811 8.712 797 H LYS 108 HN LYS 108 0.471 -20.185 10.490 798 HA LYS 108 HA LYS 108 2.077 -22.312 9.602 799 HB2 LYS 108 2HB LYS 108 2.836 -20.909 11.382 800 HB3 LYS 108 3HB LYS 108 1.405 -21.223 12.344 801 HG2 LYS 108 2HG LYS 108 2.093 -23.389 12.930 802 HG3 LYS 108 3HG LYS 108 3.068 -23.590 11.488 803 HD2 LYS 108 2HD LYS 108 4.595 -23.329 13.351 804 HD3 LYS 108 3HD LYS 108 4.684 -21.860 12.400 805 HE2 LYS 108 2HE LYS 108 3.059 -20.760 13.976 806 HE3 LYS 108 3HE LYS 108 3.020 -22.224 14.938 807 HZ1 LYS 108 1HZ LYS 108 5.410 -21.967 15.337 808 HZ2 LYS 108 2HZ LYS 108 5.470 -20.626 14.415 809 H GLY 109 HN GLY 109 -1.255 -22.125 10.443 810 HA2 GLY 109 1HA GLY 109 -2.237 -24.400 9.757 811 HA3 GLY 109 2HA GLY 109 -1.356 -24.980 11.157 Start of MODEL 15 1 H SER 0 HN SER 0 1.042 -0.135 1.856 2 HA SER 0 HA SER 0 2.074 0.536 -0.681 3 HB2 SER 0 2HB SER 0 3.610 -0.198 1.849 4 HB3 SER 0 3HB SER 0 4.225 0.715 0.485 5 HG SER 0 HG SER 0 3.512 2.462 1.479 6 H MET 1 HN MET 1 2.916 -0.815 -2.240 7 HA MET 1 HA MET 1 2.694 -3.572 -1.912 8 HB2 MET 1 2HB MET 1 3.991 -1.721 -3.961 9 HB3 MET 1 3HB MET 1 4.157 -3.458 -4.130 10 HG2 MET 1 2HG MET 1 2.216 -3.041 -5.395 11 HG3 MET 1 3HG MET 1 1.535 -3.508 -3.849 12 HE1 MET 1 1HE MET 1 1.494 -0.437 -6.489 13 HE2 MET 1 2HE MET 1 2.183 0.752 -5.357 14 HE3 MET 1 3HE MET 1 3.093 -0.724 -5.759 15 H ALA 2 HN ALA 2 3.981 -3.776 0.157 16 HA ALA 2 HA ALA 2 6.852 -3.540 -0.186 17 HB1 ALA 2 1HB ALA 2 5.164 -4.424 2.191 18 HB2 ALA 2 2HB ALA 2 6.905 -4.055 2.213 19 HB3 ALA 2 3HB ALA 2 5.726 -2.762 1.889 20 H PHE 3 HN PHE 3 4.285 -6.030 0.298 21 HA PHE 3 HA PHE 3 5.893 -8.229 0.598 22 HB2 PHE 3 2HB PHE 3 3.165 -7.551 -0.533 23 HB3 PHE 3 3HB PHE 3 3.761 -9.163 -0.876 24 HD1 PHE 3 HD1 PHE 3 4.477 -10.607 1.125 25 HD2 PHE 3 HD2 PHE 3 2.152 -7.080 1.520 26 HE1 PHE 3 HE1 PHE 3 3.693 -11.377 3.381 27 HE2 PHE 3 HE2 PHE 3 1.368 -7.850 3.777 28 HZ PHE 3 HZ PHE 3 2.147 -9.990 4.680 29 H ALA 4 HN ALA 4 5.507 -6.175 -2.190 30 HA ALA 4 HA ALA 4 5.854 -7.941 -4.274 31 HB1 ALA 4 1HB ALA 4 6.564 -6.014 -5.522 32 HB2 ALA 4 2HB ALA 4 5.365 -5.449 -4.334 33 HB3 ALA 4 3HB ALA 4 7.100 -5.178 -4.045 34 H SER 5 HN SER 5 8.018 -7.084 -1.671 35 HA SER 5 HA SER 5 10.309 -7.978 -3.181 36 HB2 SER 5 2HB SER 5 9.864 -6.549 -0.578 37 HB3 SER 5 3HB SER 5 11.320 -7.514 -0.713 38 HG SER 5 HG SER 5 12.186 -6.007 -1.955 39 H VAL 6 HN VAL 6 8.444 -8.786 -0.174 40 HA VAL 6 HA VAL 6 9.926 -11.092 0.428 41 HB VAL 6 HB VAL 6 7.040 -10.615 1.142 42 HG11 VAL 6 1HG1 VAL 6 9.366 -12.090 2.365 43 HG12 VAL 6 2HG1 VAL 6 8.012 -11.531 3.377 44 HG13 VAL 6 3HG1 VAL 6 7.712 -12.660 2.034 45 HG21 VAL 6 1HG2 VAL 6 9.379 -8.937 1.774 46 HG22 VAL 6 2HG2 VAL 6 7.639 -8.574 1.882 47 HG23 VAL 6 3HG2 VAL 6 8.447 -9.461 3.197 48 H LEU 7 HN LEU 7 6.578 -10.785 -0.969 49 HA LEU 7 HA LEU 7 6.965 -13.448 -2.112 50 HB2 LEU 7 2HB LEU 7 4.412 -11.859 -1.887 51 HB3 LEU 7 3HB LEU 7 4.584 -13.554 -2.297 52 HG LEU 7 HG LEU 7 5.592 -12.603 0.363 53 HD11 LEU 7 1HD1 LEU 7 3.503 -12.601 1.399 54 HD12 LEU 7 2HD1 LEU 7 3.230 -11.688 -0.104 55 HD13 LEU 7 3HD1 LEU 7 2.703 -13.384 0.015 56 HD21 LEU 7 1HD2 LEU 7 4.169 -15.174 -0.330 57 HD22 LEU 7 2HD2 LEU 7 5.918 -14.951 -0.574 58 HD23 LEU 7 3HD2 LEU 7 5.223 -14.819 1.059 59 H LYS 8 HN LYS 8 5.374 -13.482 -4.297 60 HA LYS 8 HA LYS 8 6.820 -11.689 -6.063 61 HB2 LYS 8 2HB LYS 8 6.587 -14.229 -6.378 62 HB3 LYS 8 3HB LYS 8 4.933 -13.910 -6.861 63 HG2 LYS 8 2HG LYS 8 5.955 -13.762 -8.940 64 HG3 LYS 8 3HG LYS 8 6.087 -12.085 -8.447 65 HD2 LYS 8 2HD LYS 8 8.389 -12.699 -7.442 66 HD3 LYS 8 3HD LYS 8 8.243 -14.234 -8.276 67 HE2 LYS 8 2HE LYS 8 8.072 -13.090 -10.456 68 HE3 LYS 8 3HE LYS 8 8.049 -11.523 -9.672 69 HZ1 LYS 8 1HZ LYS 8 10.321 -13.438 -9.605 70 HZ2 LYS 8 2HZ LYS 8 10.281 -12.037 -10.435 71 H ASP 9 HN ASP 9 5.974 -9.810 -6.774 72 HA ASP 9 HA ASP 9 3.670 -8.768 -5.925 73 HB2 ASP 9 2HB ASP 9 3.759 -7.456 -8.223 74 HB3 ASP 9 3HB ASP 9 5.040 -7.247 -7.046 75 HD2 ASP 9 HD2 ASP 9 6.891 -7.234 -7.988 76 H ALA 10 HN ALA 10 4.258 -10.890 -8.776 77 HA ALA 10 HA ALA 10 1.680 -10.609 -9.897 78 HB1 ALA 10 1HB ALA 10 4.084 -12.359 -10.241 79 HB2 ALA 10 2HB ALA 10 2.536 -12.961 -10.882 80 HB3 ALA 10 3HB ALA 10 3.185 -11.402 -11.443 81 H GLU 11 HN GLU 11 3.168 -12.774 -7.454 82 HA GLU 11 HA GLU 11 1.050 -14.584 -7.391 83 HB2 GLU 11 2HB GLU 11 3.359 -13.897 -5.583 84 HB3 GLU 11 3HB GLU 11 2.085 -14.913 -4.939 85 HG2 GLU 11 2HG GLU 11 2.391 -16.560 -6.713 86 HG3 GLU 11 3HG GLU 11 3.469 -15.496 -7.594 87 HE2 GLU 11 HE2 GLU 11 6.202 -16.689 -5.885 88 H VAL 12 HN VAL 12 1.925 -11.870 -5.126 89 HA VAL 12 HA VAL 12 -0.406 -12.075 -3.604 90 HB VAL 12 HB VAL 12 0.286 -10.074 -2.603 91 HG11 VAL 12 1HG1 VAL 12 2.973 -10.989 -3.579 92 HG12 VAL 12 2HG1 VAL 12 2.430 -10.595 -1.930 93 HG13 VAL 12 3HG1 VAL 12 1.940 -12.130 -2.685 94 HG21 VAL 12 1HG2 VAL 12 2.007 -9.431 -5.018 95 HG22 VAL 12 2HG2 VAL 12 0.389 -8.749 -4.726 96 HG23 VAL 12 3HG2 VAL 12 1.717 -8.408 -3.591 97 H THR 13 HN THR 13 0.388 -10.325 -6.631 98 HA THR 13 HA THR 13 -1.763 -8.614 -6.763 99 HB THR 13 HB THR 13 -0.011 -10.087 -8.753 100 HG1 THR 13 HG1 THR 13 -0.714 -7.299 -8.159 101 HG21 THR 13 1HG2 THR 13 -2.569 -8.582 -9.315 102 HG22 THR 13 2HG2 THR 13 -1.158 -8.228 -10.341 103 HG23 THR 13 3HG2 THR 13 -1.802 -9.885 -10.253 104 H ALA 14 HN ALA 14 -1.607 -12.031 -7.967 105 HA ALA 14 HA ALA 14 -4.269 -12.082 -8.810 106 HB1 ALA 14 1HB ALA 14 -3.329 -14.669 -7.911 107 HB2 ALA 14 2HB ALA 14 -3.562 -14.073 -9.572 108 HB3 ALA 14 3HB ALA 14 -2.014 -13.800 -8.737 109 H ALA 15 HN ALA 15 -2.741 -12.350 -5.631 110 HA ALA 15 HA ALA 15 -4.956 -13.611 -4.371 111 HB1 ALA 15 1HB ALA 15 -2.496 -13.573 -3.643 112 HB2 ALA 15 2HB ALA 15 -2.803 -11.918 -3.065 113 HB3 ALA 15 3HB ALA 15 -3.706 -13.285 -2.370 114 H LEU 16 HN LEU 16 -4.029 -10.296 -5.230 115 HA LEU 16 HA LEU 16 -5.930 -9.104 -3.452 116 HB2 LEU 16 2HB LEU 16 -3.999 -8.172 -5.525 117 HB3 LEU 16 3HB LEU 16 -5.324 -7.110 -5.089 118 HG LEU 16 HG LEU 16 -3.560 -8.304 -2.959 119 HD11 LEU 16 1HD1 LEU 16 -2.661 -6.565 -5.044 120 HD12 LEU 16 2HD1 LEU 16 -2.688 -5.659 -3.512 121 HD13 LEU 16 3HD1 LEU 16 -1.772 -7.181 -3.630 122 HD21 LEU 16 1HD2 LEU 16 -4.990 -7.193 -1.670 123 HD22 LEU 16 2HD2 LEU 16 -4.289 -5.689 -2.314 124 HD23 LEU 16 3HD2 LEU 16 -5.739 -6.391 -3.071 125 H ASP 17 HN ASP 17 -5.709 -9.844 -6.983 126 HA ASP 17 HA ASP 17 -8.201 -8.706 -7.546 127 HB2 ASP 17 2HB ASP 17 -6.201 -9.390 -9.116 128 HB3 ASP 17 3HB ASP 17 -6.942 -10.978 -9.123 129 HD2 ASP 17 HD2 ASP 17 -7.988 -9.108 -11.989 130 H GLY 18 HN GLY 18 -7.018 -11.899 -6.467 131 HA2 GLY 18 1HA GLY 18 -9.227 -13.489 -7.127 132 HA3 GLY 18 2HA GLY 18 -8.060 -13.793 -5.856 133 H CYS 19 HN CYS 19 -8.956 -10.841 -4.910 134 HA CYS 19 HA CYS 19 -11.444 -11.723 -3.652 135 HB2 CYS 19 2HB CYS 19 -10.685 -10.650 -1.526 136 HB3 CYS 19 3HB CYS 19 -9.785 -12.090 -1.961 137 HG CYS 19 HG CYS 19 -9.010 -8.900 -2.128 138 H LYS 20 HN LYS 20 -10.876 -10.055 -6.040 139 HA LYS 20 HA LYS 20 -10.942 -7.329 -5.351 140 HB2 LYS 20 2HB LYS 20 -10.400 -8.615 -7.603 141 HB3 LYS 20 3HB LYS 20 -12.104 -8.358 -7.915 142 HG2 LYS 20 2HG LYS 20 -11.503 -5.857 -7.094 143 HG3 LYS 20 3HG LYS 20 -9.898 -6.326 -7.618 144 HD2 LYS 20 2HD LYS 20 -10.858 -5.383 -9.570 145 HD3 LYS 20 3HD LYS 20 -11.025 -7.108 -9.829 146 HE2 LYS 20 2HE LYS 20 -13.378 -6.701 -8.568 147 HE3 LYS 20 3HE LYS 20 -13.147 -5.071 -9.169 148 HZ1 LYS 20 1HZ LYS 20 -13.314 -5.782 -11.345 149 HZ2 LYS 20 2HZ LYS 20 -12.745 -7.280 -11.057 150 H ALA 21 HN ALA 21 -13.267 -9.860 -5.072 151 HA ALA 21 HA ALA 21 -15.492 -7.972 -5.192 152 HB1 ALA 21 1HB ALA 21 -16.440 -9.770 -6.163 153 HB2 ALA 21 2HB ALA 21 -15.092 -10.825 -5.677 154 HB3 ALA 21 3HB ALA 21 -16.443 -10.533 -4.555 155 H ALA 22 HN ALA 22 -17.211 -8.396 -3.363 156 HA ALA 22 HA ALA 22 -15.713 -8.331 -0.844 157 HB1 ALA 22 1HB ALA 22 -17.117 -6.342 -1.683 158 HB2 ALA 22 2HB ALA 22 -18.541 -7.350 -1.333 159 HB3 ALA 22 3HB ALA 22 -17.424 -6.903 -0.022 160 H GLY 23 HN GLY 23 -16.208 -9.742 0.831 161 HA2 GLY 23 1HA GLY 23 -17.374 -11.352 1.957 162 HA3 GLY 23 2HA GLY 23 -18.584 -11.390 0.690 163 H SER 24 HN SER 24 -15.871 -11.507 -1.126 164 HA SER 24 HA SER 24 -15.891 -14.411 -1.066 165 HB2 SER 24 2HB SER 24 -14.880 -14.185 -3.380 166 HB3 SER 24 3HB SER 24 -16.503 -13.542 -3.226 167 HG SER 24 HG SER 24 -14.017 -12.066 -3.288 168 H PHE 25 HN PHE 25 -14.314 -12.364 0.675 169 HA PHE 25 HA PHE 25 -11.598 -12.958 -0.159 170 HB2 PHE 25 2HB PHE 25 -11.915 -10.704 0.608 171 HB3 PHE 25 3HB PHE 25 -13.068 -11.190 1.836 172 HD1 PHE 25 HD1 PHE 25 -12.232 -12.301 3.926 173 HD2 PHE 25 HD2 PHE 25 -9.603 -10.535 1.101 174 HE1 PHE 25 HE1 PHE 25 -10.415 -12.237 5.657 175 HE2 PHE 25 HE2 PHE 25 -7.786 -10.472 2.832 176 HZ PHE 25 HZ PHE 25 -8.214 -11.323 5.089 177 H ASP 26 HN ASP 26 -10.340 -14.534 0.745 178 HA ASP 26 HA ASP 26 -11.240 -15.593 3.296 179 HB2 ASP 26 2HB ASP 26 -11.764 -16.980 1.056 180 HB3 ASP 26 3HB ASP 26 -10.084 -17.452 1.214 181 HD2 ASP 26 HD2 ASP 26 -11.071 -18.852 4.511 182 H HIS 27 HN HIS 27 -9.459 -14.644 4.429 183 HA HIS 27 HA HIS 27 -6.968 -14.178 3.605 184 HB2 HIS 27 2HB HIS 27 -6.256 -14.466 5.963 185 HB3 HIS 27 3HB HIS 27 -7.711 -13.508 5.774 186 HD1 HIS 27 HD1 HIS 27 -10.022 -14.699 6.442 187 HD2 HIS 27 HD2 HIS 27 -6.530 -16.760 7.514 188 HE1 HIS 27 HE1 HIS 27 -10.724 -16.448 8.161 189 H LYS 28 HN LYS 28 -8.000 -17.305 5.155 190 HA LYS 28 HA LYS 28 -5.715 -18.695 5.012 191 HB2 LYS 28 2HB LYS 28 -8.595 -19.438 4.716 192 HB3 LYS 28 3HB LYS 28 -7.396 -20.665 4.361 193 HG2 LYS 28 2HG LYS 28 -6.350 -20.328 6.588 194 HG3 LYS 28 3HG LYS 28 -7.478 -19.036 6.945 195 HD2 LYS 28 2HD LYS 28 -8.117 -21.266 7.961 196 HD3 LYS 28 3HD LYS 28 -9.367 -20.558 6.957 197 HE2 LYS 28 2HE LYS 28 -8.997 -22.087 5.178 198 HE3 LYS 28 3HE LYS 28 -7.375 -22.475 5.714 199 HZ1 LYS 28 1HZ LYS 28 -9.777 -23.762 6.432 200 HZ2 LYS 28 2HZ LYS 28 -8.259 -24.187 6.840 201 H LYS 29 HN LYS 29 -8.068 -18.282 2.283 202 HA LYS 29 HA LYS 29 -6.544 -19.736 0.444 203 HB2 LYS 29 2HB LYS 29 -8.552 -17.522 -0.070 204 HB3 LYS 29 3HB LYS 29 -8.001 -18.710 -1.233 205 HG2 LYS 29 2HG LYS 29 -9.331 -19.483 1.401 206 HG3 LYS 29 3HG LYS 29 -10.239 -19.221 -0.074 207 HD2 LYS 29 2HD LYS 29 -9.007 -21.016 -1.220 208 HD3 LYS 29 3HD LYS 29 -7.930 -21.207 0.150 209 HE2 LYS 29 2HE LYS 29 -9.455 -22.928 0.570 210 HE3 LYS 29 3HE LYS 29 -10.175 -21.635 1.508 211 HZ1 LYS 29 1HZ LYS 29 -11.387 -21.169 -0.772 212 HZ2 LYS 29 2HZ LYS 29 -11.080 -22.744 -1.049 213 H PHE 30 HN PHE 30 -6.915 -16.134 0.811 214 HA PHE 30 HA PHE 30 -5.182 -15.259 -1.004 215 HB2 PHE 30 2HB PHE 30 -6.530 -14.162 1.045 216 HB3 PHE 30 3HB PHE 30 -5.005 -14.308 1.896 217 HD1 PHE 30 HD1 PHE 30 -2.968 -13.531 0.088 218 HD2 PHE 30 HD2 PHE 30 -6.911 -11.992 0.395 219 HE1 PHE 30 HE1 PHE 30 -2.200 -11.362 -0.915 220 HE2 PHE 30 HE2 PHE 30 -6.143 -9.824 -0.609 221 HZ PHE 30 HZ PHE 30 -3.796 -9.534 -1.251 222 H PHE 31 HN PHE 31 -4.125 -15.971 2.409 223 HA PHE 31 HA PHE 31 -1.420 -15.728 1.874 224 HB2 PHE 31 2HB PHE 31 -3.118 -17.313 3.880 225 HB3 PHE 31 3HB PHE 31 -1.370 -17.285 4.005 226 HD1 PHE 31 HD1 PHE 31 -4.248 -15.841 5.233 227 HD2 PHE 31 HD2 PHE 31 -0.390 -14.752 3.841 228 HE1 PHE 31 HE1 PHE 31 -4.377 -13.706 6.547 229 HE2 PHE 31 HE2 PHE 31 -0.518 -12.617 5.155 230 HZ PHE 31 HZ PHE 31 -2.510 -12.120 6.492 231 H LYS 32 HN LYS 32 -3.685 -18.372 1.250 232 HA LYS 32 HA LYS 32 -1.605 -20.333 0.973 233 HB2 LYS 32 2HB LYS 32 -4.592 -20.301 0.580 234 HB3 LYS 32 3HB LYS 32 -3.631 -21.642 -0.007 235 HG2 LYS 32 2HG LYS 32 -2.811 -22.160 2.206 236 HG3 LYS 32 3HG LYS 32 -3.383 -20.636 2.857 237 HD2 LYS 32 2HD LYS 32 -5.716 -21.314 2.602 238 HD3 LYS 32 3HD LYS 32 -5.260 -22.743 1.695 239 HE2 LYS 32 2HE LYS 32 -3.817 -23.254 3.917 240 HE3 LYS 32 3HE LYS 32 -5.020 -22.214 4.654 241 HZ1 LYS 32 1HZ LYS 32 -6.752 -23.672 3.923 242 HZ2 LYS 32 2HZ LYS 32 -5.762 -24.532 2.957 243 H ALA 33 HN ALA 33 -3.069 -17.826 -0.961 244 HA ALA 33 HA ALA 33 -2.504 -19.068 -3.477 245 HB1 ALA 33 1HB ALA 33 -3.947 -16.803 -2.466 246 HB2 ALA 33 2HB ALA 33 -2.786 -16.226 -3.686 247 HB3 ALA 33 3HB ALA 33 -3.967 -17.488 -4.109 248 H CYS 34 HN CYS 34 -1.172 -16.141 -1.768 249 HA CYS 34 HA CYS 34 1.012 -15.908 -3.476 250 HB2 CYS 34 2HB CYS 34 1.968 -14.487 -1.599 251 HB3 CYS 34 3HB CYS 34 0.409 -13.994 -2.229 252 HG CYS 34 HG CYS 34 -0.091 -13.650 0.148 253 H GLY 35 HN GLY 35 0.230 -18.129 -0.906 254 HA2 GLY 35 1HA GLY 35 1.444 -20.093 -0.559 255 HA3 GLY 35 2HA GLY 35 2.909 -19.305 -1.110 256 H LEU 36 HN LEU 36 1.576 -16.936 0.740 257 HA LEU 36 HA LEU 36 3.382 -16.917 2.718 258 HB2 LEU 36 2HB LEU 36 0.640 -15.865 2.385 259 HB3 LEU 36 3HB LEU 36 1.243 -15.903 4.030 260 HG LEU 36 HG LEU 36 2.650 -14.559 1.706 261 HD11 LEU 36 1HD1 LEU 36 1.009 -13.327 3.937 262 HD12 LEU 36 2HD1 LEU 36 1.927 -12.444 2.693 263 HD13 LEU 36 3HD1 LEU 36 0.533 -13.448 2.226 264 HD21 LEU 36 1HD2 LEU 36 4.284 -15.195 3.303 265 HD22 LEU 36 2HD2 LEU 36 3.960 -13.464 3.564 266 HD23 LEU 36 3HD2 LEU 36 3.262 -14.676 4.664 267 H SER 37 HN SER 37 0.577 -19.060 2.425 268 HA SER 37 HA SER 37 0.506 -19.845 5.097 269 HB2 SER 37 2HB SER 37 -1.117 -21.359 4.413 270 HB3 SER 37 3HB SER 37 -1.170 -20.227 3.077 271 HG SER 37 HG SER 37 -0.267 -22.895 3.147 272 H GLY 38 HN GLY 38 2.018 -21.335 2.145 273 HA2 GLY 38 1HA GLY 38 3.369 -23.337 3.746 274 HA3 GLY 38 2HA GLY 38 3.426 -23.133 2.006 275 H LYS 39 HN LYS 39 3.870 -20.067 3.351 276 HA LYS 39 HA LYS 39 6.597 -20.019 2.602 277 HB2 LYS 39 2HB LYS 39 4.637 -18.066 3.765 278 HB3 LYS 39 3HB LYS 39 6.345 -17.675 3.790 279 HG2 LYS 39 2HG LYS 39 4.708 -18.407 1.316 280 HG3 LYS 39 3HG LYS 39 5.289 -16.806 1.729 281 HD2 LYS 39 2HD LYS 39 7.662 -18.114 1.805 282 HD3 LYS 39 3HD LYS 39 6.823 -19.178 0.694 283 HE2 LYS 39 2HE LYS 39 6.142 -16.948 -0.550 284 HE3 LYS 39 3HE LYS 39 7.454 -16.227 0.361 285 HZ1 LYS 39 1HZ LYS 39 8.321 -18.669 -0.790 286 HZ2 LYS 39 2HZ LYS 39 7.688 -17.728 -1.959 287 H SER 40 HN SER 40 8.156 -18.797 4.332 288 HA SER 40 HA SER 40 8.340 -20.735 6.441 289 HB2 SER 40 2HB SER 40 10.169 -18.660 5.240 290 HB3 SER 40 3HB SER 40 10.515 -19.229 6.861 291 HG SER 40 HG SER 40 11.330 -20.406 4.713 292 H THR 41 HN THR 41 8.148 -20.280 8.670 293 HA THR 41 HA THR 41 6.487 -18.177 9.424 294 HB THR 41 HB THR 41 8.283 -20.188 10.819 295 HG1 THR 41 HG1 THR 41 5.965 -20.601 11.597 296 HG21 THR 41 1HG2 THR 41 6.430 -18.240 12.269 297 HG22 THR 41 2HG2 THR 41 7.539 -19.432 12.990 298 HG23 THR 41 3HG2 THR 41 8.190 -17.983 12.187 299 H ASP 42 HN ASP 42 9.853 -18.152 8.644 300 HA ASP 42 HA ASP 42 10.633 -16.126 10.394 301 HB2 ASP 42 2HB ASP 42 12.294 -17.490 9.257 302 HB3 ASP 42 3HB ASP 42 11.664 -17.055 7.681 303 HD2 ASP 42 HD2 ASP 42 14.337 -16.154 7.588 304 H GLU 43 HN GLU 43 10.015 -16.069 6.791 305 HA GLU 43 HA GLU 43 10.046 -13.353 6.522 306 HB2 GLU 43 2HB GLU 43 9.257 -13.721 4.346 307 HB3 GLU 43 3HB GLU 43 9.949 -15.280 4.749 308 HG2 GLU 43 2HG GLU 43 7.686 -16.112 5.420 309 HG3 GLU 43 3HG GLU 43 6.993 -14.552 5.024 310 HE2 GLU 43 HE2 GLU 43 9.213 -15.880 2.284 311 H VAL 44 HN VAL 44 7.362 -15.555 7.450 312 HA VAL 44 HA VAL 44 5.192 -13.983 7.187 313 HB VAL 44 HB VAL 44 5.980 -15.809 9.462 314 HG11 VAL 44 1HG1 VAL 44 3.186 -14.848 8.765 315 HG12 VAL 44 2HG1 VAL 44 3.659 -15.920 10.105 316 HG13 VAL 44 3HG1 VAL 44 4.164 -14.213 10.110 317 HG21 VAL 44 1HG2 VAL 44 5.804 -16.642 7.016 318 HG22 VAL 44 2HG2 VAL 44 4.939 -17.543 8.284 319 HG23 VAL 44 3HG2 VAL 44 4.050 -16.423 7.224 320 H LYS 45 HN LYS 45 7.573 -13.892 9.920 321 HA LYS 45 HA LYS 45 6.314 -11.902 11.372 322 HB2 LYS 45 2HB LYS 45 9.261 -12.581 11.138 323 HB3 LYS 45 3HB LYS 45 8.571 -11.542 12.368 324 HG2 LYS 45 2HG LYS 45 7.358 -13.319 13.381 325 HG3 LYS 45 3HG LYS 45 7.437 -14.323 11.947 326 HD2 LYS 45 2HD LYS 45 9.917 -14.564 12.266 327 HD3 LYS 45 3HD LYS 45 9.816 -13.588 13.718 328 HE2 LYS 45 2HE LYS 45 8.553 -16.323 13.243 329 HE3 LYS 45 3HE LYS 45 9.804 -15.919 14.403 330 HZ1 LYS 45 1HZ LYS 45 8.069 -15.658 15.811 331 HZ2 LYS 45 2HZ LYS 45 7.801 -14.224 15.087 332 H LYS 46 HN LYS 46 8.598 -11.716 8.596 333 HA LYS 46 HA LYS 46 8.856 -8.906 8.722 334 HB2 LYS 46 2HB LYS 46 9.274 -10.640 6.281 335 HB3 LYS 46 3HB LYS 46 10.038 -9.112 6.668 336 HG2 LYS 46 2HG LYS 46 10.788 -10.496 8.876 337 HG3 LYS 46 3HG LYS 46 10.589 -11.851 7.783 338 HD2 LYS 46 2HD LYS 46 12.785 -11.334 7.271 339 HD3 LYS 46 3HD LYS 46 12.003 -10.263 6.126 340 HE2 LYS 46 2HE LYS 46 12.088 -8.428 7.902 341 HE3 LYS 46 3HE LYS 46 13.041 -9.510 8.898 342 HZ1 LYS 46 1HZ LYS 46 14.646 -8.325 7.721 343 HZ2 LYS 46 2HZ LYS 46 14.531 -9.659 6.794 344 H ALA 47 HN ALA 47 6.483 -11.150 7.339 345 HA ALA 47 HA ALA 47 5.313 -9.267 5.576 346 HB1 ALA 47 1HB ALA 47 4.852 -11.471 5.008 347 HB2 ALA 47 2HB ALA 47 4.629 -11.973 6.701 348 HB3 ALA 47 3HB ALA 47 3.361 -11.035 5.876 349 H PHE 48 HN PHE 48 4.768 -10.275 8.987 350 HA PHE 48 HA PHE 48 2.368 -8.991 9.407 351 HB2 PHE 48 2HB PHE 48 3.432 -10.521 11.025 352 HB3 PHE 48 3HB PHE 48 4.867 -9.520 11.110 353 HD1 PHE 48 HD1 PHE 48 1.826 -10.320 12.680 354 HD2 PHE 48 HD2 PHE 48 4.475 -7.075 12.002 355 HE1 PHE 48 HE1 PHE 48 0.876 -9.128 14.674 356 HE2 PHE 48 HE2 PHE 48 3.525 -5.883 13.996 357 HZ PHE 48 HZ PHE 48 1.736 -6.923 15.308 358 H ALA 49 HN ALA 49 5.573 -7.656 8.883 359 HA ALA 49 HA ALA 49 4.901 -5.132 10.124 360 HB1 ALA 49 1HB ALA 49 7.137 -5.035 10.291 361 HB2 ALA 49 2HB ALA 49 7.270 -6.567 9.394 362 HB3 ALA 49 3HB ALA 49 7.273 -5.018 8.516 363 H ILE 50 HN ILE 50 4.889 -6.713 6.949 364 HA ILE 50 HA ILE 50 4.955 -4.533 5.286 365 HB ILE 50 HB ILE 50 3.393 -7.107 5.058 366 HG12 ILE 50 2HG1 ILE 50 5.928 -7.182 5.364 367 HG13 ILE 50 3HG1 ILE 50 5.254 -8.032 3.988 368 HG21 ILE 50 1HG2 ILE 50 3.529 -4.766 3.299 369 HG22 ILE 50 2HG2 ILE 50 3.970 -6.292 2.497 370 HG23 ILE 50 3HG2 ILE 50 2.394 -6.137 3.310 371 HD11 ILE 50 1HD1 ILE 50 7.332 -6.531 3.572 372 HD12 ILE 50 2HD1 ILE 50 5.967 -6.365 2.443 373 HD13 ILE 50 3HD1 ILE 50 6.209 -5.159 3.729 374 H ILE 51 HN ILE 51 2.040 -6.067 6.822 375 HA ILE 51 HA ILE 51 0.295 -4.070 5.867 376 HB ILE 51 HB ILE 51 -0.202 -5.774 8.288 377 HG12 ILE 51 2HG1 ILE 51 -1.096 -7.303 6.186 378 HG13 ILE 51 3HG1 ILE 51 0.417 -6.683 5.553 379 HG21 ILE 51 1HG2 ILE 51 -2.282 -5.588 6.265 380 HG22 ILE 51 2HG2 ILE 51 -2.334 -5.208 8.003 381 HG23 ILE 51 3HG2 ILE 51 -1.766 -3.985 6.841 382 HD11 ILE 51 1HD1 ILE 51 1.354 -8.417 6.710 383 HD12 ILE 51 2HD1 ILE 51 1.167 -7.352 8.124 384 HD13 ILE 51 3HD1 ILE 51 -0.061 -8.593 7.776 385 H ASP 52 HN ASP 52 1.241 -4.744 9.311 386 HA ASP 52 HA ASP 52 0.350 -2.542 10.444 387 HB2 ASP 52 2HB ASP 52 2.735 -4.275 10.878 388 HB3 ASP 52 3HB ASP 52 2.836 -2.709 11.658 389 HD2 ASP 52 HD2 ASP 52 0.918 -5.515 13.445 390 H GLN 53 HN GLN 53 0.459 -0.471 9.508 391 HA GLN 53 HA GLN 53 2.785 0.325 8.092 392 HB2 GLN 53 2HB GLN 53 0.375 1.987 8.951 393 HB3 GLN 53 3HB GLN 53 1.555 2.437 7.736 394 HG2 GLN 53 2HG GLN 53 0.897 0.530 6.318 395 HG3 GLN 53 3HG GLN 53 -0.184 -0.067 7.561 396 HE21 GLN 53 1HE2 GLN 53 -2.224 0.476 7.445 397 HE22 GLN 53 2HE2 GLN 53 -2.906 1.809 6.575 398 H ASP 54 HN ASP 54 1.901 0.238 11.303 399 HA ASP 54 HA ASP 54 3.846 2.400 12.047 400 HB2 ASP 54 2HB ASP 54 2.417 2.242 14.237 401 HB3 ASP 54 3HB ASP 54 1.726 3.057 12.837 402 H LYS 55 HN LYS 55 2.689 -0.988 12.703 403 HA LYS 55 HA LYS 55 3.708 -2.696 13.661 404 HB2 LYS 55 2HB LYS 55 6.263 -1.070 13.535 405 HB3 LYS 55 3HB LYS 55 6.133 -2.805 13.741 406 HG2 LYS 55 2HG LYS 55 6.557 -2.556 11.421 407 HG3 LYS 55 3HG LYS 55 4.824 -2.810 11.492 408 HD2 LYS 55 2HD LYS 55 4.325 -0.569 10.997 409 HD3 LYS 55 3HD LYS 55 5.839 0.027 11.647 410 HE2 LYS 55 2HE LYS 55 6.100 -1.810 9.301 411 HE3 LYS 55 3HE LYS 55 5.334 -0.271 8.961 412 HZ1 LYS 55 1HZ LYS 55 7.368 0.644 8.997 413 HZ2 LYS 55 2HZ LYS 55 7.556 0.260 10.569 414 H SER 56 HN SER 56 2.159 -1.414 15.344 415 HA SER 56 HA SER 56 3.521 -0.263 17.516 416 HB2 SER 56 2HB SER 56 0.727 -1.474 17.554 417 HB3 SER 56 3HB SER 56 1.348 -0.207 18.593 418 HG SER 56 HG SER 56 0.914 1.265 17.093 419 H GLY 57 HN GLY 57 2.815 -3.536 16.484 420 HA2 GLY 57 1HA GLY 57 4.350 -5.089 17.778 421 HA3 GLY 57 2HA GLY 57 3.424 -4.582 19.177 422 H PHE 58 HN PHE 58 0.896 -4.306 17.461 423 HA PHE 58 HA PHE 58 0.425 -7.105 16.806 424 HB2 PHE 58 2HB PHE 58 -0.966 -5.319 18.868 425 HB3 PHE 58 3HB PHE 58 -1.848 -6.639 18.126 426 HD1 PHE 58 HD1 PHE 58 1.275 -5.933 20.026 427 HD2 PHE 58 HD2 PHE 58 -1.720 -8.774 19.043 428 HE1 PHE 58 HE1 PHE 58 2.223 -7.520 21.725 429 HE2 PHE 58 HE2 PHE 58 -0.772 -10.361 20.741 430 HZ PHE 58 HZ PHE 58 1.188 -9.715 22.061 431 H ILE 59 HN ILE 59 -1.598 -7.418 15.540 432 HA ILE 59 HA ILE 59 -2.082 -5.047 13.914 433 HB ILE 59 HB ILE 59 -2.440 -8.000 13.489 434 HG12 ILE 59 2HG1 ILE 59 -0.837 -5.845 12.084 435 HG13 ILE 59 3HG1 ILE 59 -0.212 -7.139 13.087 436 HG21 ILE 59 1HG2 ILE 59 -3.144 -6.665 11.113 437 HG22 ILE 59 2HG2 ILE 59 -4.183 -7.662 12.160 438 HG23 ILE 59 3HG2 ILE 59 -4.094 -5.902 12.410 439 HD11 ILE 59 1HD1 ILE 59 -1.912 -8.289 11.038 440 HD12 ILE 59 2HD1 ILE 59 -0.718 -7.206 10.283 441 HD13 ILE 59 3HD1 ILE 59 -0.173 -8.547 11.318 442 H GLU 60 HN GLU 60 -3.411 -3.929 15.482 443 HA GLU 60 HA GLU 60 -5.523 -4.974 16.799 444 HB2 GLU 60 2HB GLU 60 -5.028 -2.222 15.622 445 HB3 GLU 60 3HB GLU 60 -6.502 -2.558 16.509 446 HG2 GLU 60 2HG GLU 60 -4.982 -1.712 18.147 447 HG3 GLU 60 3HG GLU 60 -5.014 -3.444 18.417 448 HE2 GLU 60 HE2 GLU 60 -1.614 -1.727 17.639 449 H GLU 61 HN GLU 61 -7.906 -4.818 16.399 450 HA GLU 61 HA GLU 61 -8.650 -6.129 14.162 451 HB2 GLU 61 2HB GLU 61 -10.074 -5.919 16.151 452 HB3 GLU 61 3HB GLU 61 -10.285 -4.202 15.868 453 HG2 GLU 61 2HG GLU 61 -11.368 -4.739 13.648 454 HG3 GLU 61 3HG GLU 61 -11.228 -6.446 14.021 455 HE2 GLU 61 HE2 GLU 61 -14.527 -5.358 15.115 456 H GLU 62 HN GLU 62 -7.919 -2.713 14.542 457 HA GLU 62 HA GLU 62 -9.405 -1.804 12.350 458 HB2 GLU 62 2HB GLU 62 -6.883 -0.590 13.560 459 HB3 GLU 62 3HB GLU 62 -8.064 0.249 12.575 460 HG2 GLU 62 2HG GLU 62 -9.798 -0.546 14.402 461 HG3 GLU 62 3HG GLU 62 -8.382 -0.813 15.399 462 HE2 GLU 62 HE2 GLU 62 -9.963 2.558 14.349 463 H GLU 63 HN GLU 63 -6.069 -3.071 12.776 464 HA GLU 63 HA GLU 63 -5.302 -2.424 10.140 465 HB2 GLU 63 2HB GLU 63 -4.137 -3.903 12.461 466 HB3 GLU 63 3HB GLU 63 -3.523 -4.359 10.885 467 HG2 GLU 63 2HG GLU 63 -2.588 -2.254 10.474 468 HG3 GLU 63 3HG GLU 63 -3.760 -1.415 11.470 469 H LEU 64 HN LEU 64 -6.664 -5.302 11.800 470 HA LEU 64 HA LEU 64 -6.245 -7.221 9.907 471 HB2 LEU 64 2HB LEU 64 -8.300 -6.699 11.986 472 HB3 LEU 64 3HB LEU 64 -8.681 -7.914 10.782 473 HG LEU 64 HG LEU 64 -6.261 -7.911 12.608 474 HD11 LEU 64 1HD1 LEU 64 -7.725 -8.716 14.091 475 HD12 LEU 64 2HD1 LEU 64 -8.974 -8.995 12.854 476 HD13 LEU 64 3HD1 LEU 64 -7.693 -10.203 13.113 477 HD21 LEU 64 1HD2 LEU 64 -6.658 -9.215 10.096 478 HD22 LEU 64 2HD2 LEU 64 -5.284 -9.336 11.222 479 HD23 LEU 64 3HD2 LEU 64 -6.669 -10.443 11.385 480 H LYS 65 HN LYS 65 -8.851 -4.719 10.025 481 HA LYS 65 HA LYS 65 -10.118 -5.641 7.681 482 HB2 LYS 65 2HB LYS 65 -11.060 -4.183 9.567 483 HB3 LYS 65 3HB LYS 65 -10.243 -2.835 8.801 484 HG2 LYS 65 2HG LYS 65 -11.454 -3.781 6.600 485 HG3 LYS 65 3HG LYS 65 -12.547 -4.493 7.770 486 HD2 LYS 65 2HD LYS 65 -11.908 -1.540 7.386 487 HD3 LYS 65 3HD LYS 65 -13.457 -2.331 7.182 488 HE2 LYS 65 2HE LYS 65 -13.726 -1.380 9.305 489 HE3 LYS 65 3HE LYS 65 -13.174 -2.988 9.733 490 HZ1 LYS 65 1HZ LYS 65 -11.124 -0.936 9.310 491 HZ2 LYS 65 2HZ LYS 65 -11.988 -0.852 10.687 492 H LEU 66 HN LEU 66 -7.281 -3.649 8.340 493 HA LEU 66 HA LEU 66 -7.242 -2.708 5.587 494 HB2 LEU 66 2HB LEU 66 -5.430 -2.114 7.930 495 HB3 LEU 66 3HB LEU 66 -5.304 -1.391 6.339 496 HG LEU 66 HG LEU 66 -7.362 -0.939 8.476 497 HD11 LEU 66 1HD1 LEU 66 -6.122 0.895 8.689 498 HD12 LEU 66 2HD1 LEU 66 -5.234 0.559 7.183 499 HD13 LEU 66 3HD1 LEU 66 -6.786 1.428 7.126 500 HD21 LEU 66 1HD2 LEU 66 -8.847 0.174 6.901 501 HD22 LEU 66 2HD2 LEU 66 -7.799 -0.304 5.544 502 HD23 LEU 66 3HD2 LEU 66 -8.662 -1.546 6.483 503 H PHE 67 HN PHE 67 -7.007 -5.607 6.321 504 HA PHE 67 HA PHE 67 -4.284 -6.322 6.085 505 HB2 PHE 67 2HB PHE 67 -5.926 -7.846 7.069 506 HB3 PHE 67 3HB PHE 67 -7.016 -7.657 5.710 507 HD1 PHE 67 HD1 PHE 67 -3.403 -8.581 5.999 508 HD2 PHE 67 HD2 PHE 67 -7.256 -9.636 4.569 509 HE1 PHE 67 HE1 PHE 67 -2.445 -10.646 4.941 510 HE2 PHE 67 HE2 PHE 67 -6.298 -11.702 3.512 511 HZ PHE 67 HZ PHE 67 -3.904 -12.182 3.711 512 H LEU 68 HN LEU 68 -6.354 -4.861 3.865 513 HA LEU 68 HA LEU 68 -5.150 -6.281 1.603 514 HB2 LEU 68 2HB LEU 68 -7.657 -4.663 1.944 515 HB3 LEU 68 3HB LEU 68 -6.952 -4.899 0.357 516 HG LEU 68 HG LEU 68 -8.100 -6.976 2.221 517 HD11 LEU 68 1HD1 LEU 68 -8.859 -5.748 -0.376 518 HD12 LEU 68 2HD1 LEU 68 -9.182 -7.487 -0.176 519 HD13 LEU 68 3HD1 LEU 68 -9.871 -6.316 0.973 520 HD21 LEU 68 1HD2 LEU 68 -7.396 -8.643 0.427 521 HD22 LEU 68 2HD2 LEU 68 -6.255 -7.396 -0.131 522 HD23 LEU 68 3HD2 LEU 68 -6.125 -8.046 1.521 523 H GLN 69 HN GLN 69 -5.098 -3.353 3.494 524 HA GLN 69 HA GLN 69 -4.049 -1.757 1.385 525 HB2 GLN 69 2HB GLN 69 -4.259 -1.320 4.394 526 HB3 GLN 69 3HB GLN 69 -3.630 -0.115 3.289 527 HG2 GLN 69 2HG GLN 69 -5.822 -0.286 1.984 528 HG3 GLN 69 3HG GLN 69 -6.435 -1.318 3.261 529 HE21 GLN 69 1HE2 GLN 69 -7.978 0.618 3.083 530 HE22 GLN 69 2HE2 GLN 69 -7.715 1.921 4.194 531 H ASN 70 HN ASN 70 -2.790 -4.377 2.916 532 HA ASN 70 HA ASN 70 -0.255 -3.313 3.629 533 HB2 ASN 70 2HB ASN 70 0.322 -5.850 3.742 534 HB3 ASN 70 3HB ASN 70 -0.908 -5.270 4.848 535 HD21 ASN 70 1HD2 ASN 70 -0.846 -7.877 4.342 536 HD22 ASN 70 2HD2 ASN 70 -2.162 -8.392 3.341 537 H PHE 71 HN PHE 71 -1.700 -5.332 0.981 538 HA PHE 71 HA PHE 71 0.794 -5.423 -0.445 539 HB2 PHE 71 2HB PHE 71 -2.058 -6.119 -1.348 540 HB3 PHE 71 3HB PHE 71 -0.572 -6.785 -1.996 541 HD1 PHE 71 HD1 PHE 71 0.960 -7.820 0.071 542 HD2 PHE 71 HD2 PHE 71 -3.275 -7.610 -0.100 543 HE1 PHE 71 HE1 PHE 71 0.800 -9.742 1.677 544 HE2 PHE 71 HE2 PHE 71 -3.435 -9.532 1.507 545 HZ PHE 71 HZ PHE 71 -1.395 -10.575 2.376 546 H LYS 72 HN LYS 72 -1.108 -2.875 0.128 547 HA LYS 72 HA LYS 72 -0.263 -1.427 -2.080 548 HB2 LYS 72 2HB LYS 72 -2.175 -3.048 -3.004 549 HB3 LYS 72 3HB LYS 72 -3.216 -1.790 -2.369 550 HG2 LYS 72 2HG LYS 72 -1.431 -0.200 -3.638 551 HG3 LYS 72 3HG LYS 72 -1.203 -1.645 -4.603 552 HD2 LYS 72 2HD LYS 72 -3.825 -1.699 -4.760 553 HD3 LYS 72 3HD LYS 72 -3.752 -0.039 -4.206 554 HE2 LYS 72 2HE LYS 72 -2.386 -1.159 -6.699 555 HE3 LYS 72 3HE LYS 72 -3.795 -0.118 -6.677 556 HZ1 LYS 72 1HZ LYS 72 -2.153 1.447 -6.918 557 HZ2 LYS 72 2HZ LYS 72 -2.134 1.398 -5.290 558 H ALA 73 HN ALA 73 -0.631 0.798 -1.753 559 HA ALA 73 HA ALA 73 -1.723 1.380 0.881 560 HB1 ALA 73 1HB ALA 73 0.552 2.193 -0.444 561 HB2 ALA 73 2HB ALA 73 -0.548 3.563 -0.729 562 HB3 ALA 73 3HB ALA 73 -0.184 3.045 0.934 563 H GLY 74 HN GLY 74 -3.519 0.592 -1.328 564 HA2 GLY 74 1HA GLY 74 -5.345 2.811 -1.135 565 HA3 GLY 74 2HA GLY 74 -4.716 2.567 -2.752 566 H ALA 75 HN ALA 75 -5.047 -0.162 -0.490 567 HA ALA 75 HA ALA 75 -6.878 -1.412 -2.337 568 HB1 ALA 75 1HB ALA 75 -4.887 -2.218 -0.433 569 HB2 ALA 75 2HB ALA 75 -6.436 -2.964 0.028 570 HB3 ALA 75 3HB ALA 75 -5.774 -3.224 -1.603 571 H ARG 76 HN ARG 76 -8.757 -2.734 -1.199 572 HA ARG 76 HA ARG 76 -10.393 -0.744 -0.045 573 HB2 ARG 76 2HB ARG 76 -12.149 -2.497 -0.100 574 HB3 ARG 76 3HB ARG 76 -11.282 -2.455 -1.623 575 HG2 ARG 76 2HG ARG 76 -10.269 -4.512 -1.275 576 HG3 ARG 76 3HG ARG 76 -10.159 -4.291 0.460 577 HD2 ARG 76 2HD ARG 76 -12.381 -5.007 0.836 578 HD3 ARG 76 3HD ARG 76 -12.897 -4.609 -0.791 579 HE ARG 76 HE ARG 76 -10.973 -6.594 -1.159 580 HH11 ARG 76 HH1 ARG 76 -12.824 -9.486 -0.630 581 HH21 ARG 76 1HH2 ARG 76 -14.350 -8.056 0.541 582 HH22 ARG 76 2HH2 ARG 76 -14.003 -6.364 0.664 583 H ALA 77 HN ALA 77 -11.986 -2.049 1.843 584 HA ALA 77 HA ALA 77 -10.097 -2.979 3.884 585 HB1 ALA 77 1HB ALA 77 -10.732 -1.375 5.404 586 HB2 ALA 77 2HB ALA 77 -10.965 -0.434 3.912 587 HB3 ALA 77 3HB ALA 77 -12.360 -1.201 4.706 588 H LEU 78 HN LEU 78 -10.730 -4.916 4.684 589 HA LEU 78 HA LEU 78 -12.926 -6.275 3.814 590 HB2 LEU 78 2HB LEU 78 -11.355 -6.522 6.378 591 HB3 LEU 78 3HB LEU 78 -12.577 -7.677 5.883 592 HG LEU 78 HG LEU 78 -10.757 -8.752 5.072 593 HD11 LEU 78 1HD1 LEU 78 -12.162 -8.263 3.125 594 HD12 LEU 78 2HD1 LEU 78 -11.217 -6.788 2.809 595 HD13 LEU 78 3HD1 LEU 78 -10.443 -8.385 2.680 596 HD21 LEU 78 1HD2 LEU 78 -9.250 -6.901 5.957 597 HD22 LEU 78 2HD2 LEU 78 -8.646 -7.836 4.568 598 HD23 LEU 78 3HD2 LEU 78 -9.317 -6.206 4.320 599 H SER 79 HN SER 79 -14.827 -7.079 5.214 600 HA SER 79 HA SER 79 -16.027 -4.692 6.344 601 HB2 SER 79 2HB SER 79 -17.221 -5.842 4.482 602 HB3 SER 79 3HB SER 79 -17.299 -7.312 5.432 603 HG SER 79 HG SER 79 -19.037 -5.260 5.437 604 H ASP 80 HN ASP 80 -17.792 -5.362 8.162 605 HA ASP 80 HA ASP 80 -16.344 -6.145 10.345 606 HB2 ASP 80 2HB ASP 80 -18.812 -6.646 11.251 607 HB3 ASP 80 3HB ASP 80 -18.272 -5.007 10.946 608 HD2 ASP 80 HD2 ASP 80 -21.002 -6.848 8.743 609 H ALA 81 HN ALA 81 -17.802 -8.004 7.784 610 HA ALA 81 HA ALA 81 -18.112 -10.402 9.377 611 HB1 ALA 81 1HB ALA 81 -18.329 -10.188 6.366 612 HB2 ALA 81 2HB ALA 81 -19.181 -11.289 7.476 613 HB3 ALA 81 3HB ALA 81 -19.617 -9.564 7.424 614 H GLU 82 HN GLU 82 -16.348 -9.595 6.296 615 HA GLU 82 HA GLU 82 -14.740 -11.745 6.252 616 HB2 GLU 82 2HB GLU 82 -14.109 -8.879 5.430 617 HB3 GLU 82 3HB GLU 82 -13.106 -10.248 4.992 618 HG2 GLU 82 2HG GLU 82 -14.472 -10.248 3.130 619 HG3 GLU 82 3HG GLU 82 -15.476 -11.246 4.163 620 HE2 GLU 82 HE2 GLU 82 -15.315 -8.061 2.744 621 H THR 83 HN THR 83 -13.978 -8.555 7.825 622 HA THR 83 HA THR 83 -11.502 -9.296 8.852 623 HB THR 83 HB THR 83 -13.640 -7.301 9.756 624 HG1 THR 83 HG1 THR 83 -11.128 -7.309 8.237 625 HG21 THR 83 1HG2 THR 83 -10.707 -7.626 10.572 626 HG22 THR 83 2HG2 THR 83 -11.617 -6.110 10.774 627 HG23 THR 83 3HG2 THR 83 -12.119 -7.573 11.655 628 H LYS 84 HN LYS 84 -14.799 -9.983 10.005 629 HA LYS 84 HA LYS 84 -13.977 -10.808 12.583 630 HB2 LYS 84 2HB LYS 84 -16.461 -10.824 10.963 631 HB3 LYS 84 3HB LYS 84 -16.352 -12.070 12.189 632 HG2 LYS 84 2HG LYS 84 -15.884 -10.376 13.930 633 HG3 LYS 84 3HG LYS 84 -15.852 -9.104 12.724 634 HD2 LYS 84 2HD LYS 84 -18.051 -8.868 13.408 635 HD3 LYS 84 3HD LYS 84 -18.300 -10.062 12.150 636 HE2 LYS 84 2HE LYS 84 -17.815 -11.792 14.141 637 HE3 LYS 84 3HE LYS 84 -18.292 -10.440 15.149 638 HZ1 LYS 84 1HZ LYS 84 -19.921 -11.943 13.236 639 HZ2 LYS 84 2HZ LYS 84 -20.332 -11.376 14.706 640 H ALA 85 HN ALA 85 -14.457 -12.447 9.417 641 HA ALA 85 HA ALA 85 -14.069 -15.048 10.447 642 HB1 ALA 85 1HB ALA 85 -14.971 -13.958 8.103 643 HB2 ALA 85 2HB ALA 85 -13.346 -14.502 7.623 644 HB3 ALA 85 3HB ALA 85 -14.509 -15.665 8.302 645 H PHE 86 HN PHE 86 -11.928 -12.448 9.244 646 HA PHE 86 HA PHE 86 -9.641 -14.196 9.256 647 HB2 PHE 86 2HB PHE 86 -10.062 -12.247 7.652 648 HB3 PHE 86 3HB PHE 86 -9.994 -11.147 9.014 649 HD1 PHE 86 HD1 PHE 86 -8.160 -9.842 8.234 650 HD2 PHE 86 HD2 PHE 86 -7.750 -14.048 8.627 651 HE1 PHE 86 HE1 PHE 86 -5.677 -9.628 7.937 652 HE2 PHE 86 HE2 PHE 86 -5.266 -13.833 8.330 653 HZ PHE 86 HZ PHE 86 -4.260 -11.626 7.988 654 H LEU 87 HN LEU 87 -11.389 -12.224 11.526 655 HA LEU 87 HA LEU 87 -9.093 -11.669 13.169 656 HB2 LEU 87 2HB LEU 87 -10.836 -10.042 13.063 657 HB3 LEU 87 3HB LEU 87 -12.058 -11.224 13.490 658 HG LEU 87 HG LEU 87 -11.034 -11.449 15.741 659 HD11 LEU 87 1HD1 LEU 87 -9.374 -9.005 15.185 660 HD12 LEU 87 2HD1 LEU 87 -9.236 -10.199 16.497 661 HD13 LEU 87 3HD1 LEU 87 -8.739 -10.633 14.844 662 HD21 LEU 87 1HD2 LEU 87 -12.636 -9.385 14.738 663 HD22 LEU 87 2HD2 LEU 87 -12.464 -9.897 16.434 664 HD23 LEU 87 3HD2 LEU 87 -11.448 -8.583 15.793 665 H LYS 88 HN LYS 88 -12.016 -13.807 13.290 666 HA LYS 88 HA LYS 88 -11.191 -15.048 15.697 667 HB2 LYS 88 2HB LYS 88 -13.423 -15.198 13.815 668 HB3 LYS 88 3HB LYS 88 -12.963 -16.776 14.424 669 HG2 LYS 88 2HG LYS 88 -13.005 -14.677 16.521 670 HG3 LYS 88 3HG LYS 88 -14.565 -14.932 15.765 671 HD2 LYS 88 2HD LYS 88 -12.861 -17.236 16.808 672 HD3 LYS 88 3HD LYS 88 -14.030 -16.404 17.814 673 HE2 LYS 88 2HE LYS 88 -14.743 -17.688 15.136 674 HE3 LYS 88 3HE LYS 88 -14.894 -18.521 16.671 675 HZ1 LYS 88 1HZ LYS 88 -16.194 -15.897 16.262 676 HZ2 LYS 88 2HZ LYS 88 -16.936 -17.270 15.798 677 H ALA 89 HN ALA 89 -10.282 -15.351 12.342 678 HA ALA 89 HA ALA 89 -9.560 -18.044 12.287 679 HB1 ALA 89 1HB ALA 89 -9.673 -16.924 10.222 680 HB2 ALA 89 2HB ALA 89 -8.702 -15.550 10.805 681 HB3 ALA 89 3HB ALA 89 -7.923 -17.118 10.483 682 H GLY 90 HN GLY 90 -7.344 -15.177 12.637 683 HA2 GLY 90 1HA GLY 90 -5.266 -16.834 13.727 684 HA3 GLY 90 2HA GLY 90 -5.247 -15.096 13.500 685 H ASP 91 HN ASP 91 -6.981 -13.892 15.017 686 HA ASP 91 HA ASP 91 -6.087 -13.974 17.518 687 HB2 ASP 91 2HB ASP 91 -7.933 -12.493 16.261 688 HB3 ASP 91 3HB ASP 91 -9.052 -13.541 17.110 689 HD2 ASP 91 HD2 ASP 91 -8.836 -10.588 18.417 690 H SER 92 HN SER 92 -6.173 -15.507 19.171 691 HA SER 92 HA SER 92 -8.077 -17.656 18.843 692 HB2 SER 92 2HB SER 92 -6.600 -18.462 20.954 693 HB3 SER 92 3HB SER 92 -6.084 -18.704 19.297 694 HG SER 92 HG SER 92 -4.908 -17.201 21.262 695 H ASP 93 HN ASP 93 -6.851 -15.472 21.353 696 HA ASP 93 HA ASP 93 -9.105 -16.028 23.163 697 HB2 ASP 93 2HB ASP 93 -7.862 -14.526 24.637 698 HB3 ASP 93 3HB ASP 93 -6.730 -15.640 23.875 699 H GLY 94 HN GLY 94 -9.095 -14.366 20.300 700 HA2 GLY 94 1HA GLY 94 -10.029 -12.442 19.533 701 HA3 GLY 94 2HA GLY 94 -11.363 -12.979 20.534 702 H ASP 95 HN ASP 95 -8.198 -11.213 20.787 703 HA ASP 95 HA ASP 95 -9.373 -9.705 22.970 704 HB2 ASP 95 2HB ASP 95 -6.948 -8.867 23.215 705 HB3 ASP 95 3HB ASP 95 -7.236 -10.553 23.595 706 HD2 ASP 95 HD2 ASP 95 -5.391 -11.516 22.970 707 H GLY 96 HN GLY 96 -9.673 -9.506 19.825 708 HA2 GLY 96 1HA GLY 96 -10.107 -7.801 18.411 709 HA3 GLY 96 2HA GLY 96 -9.767 -6.660 19.697 710 H LYS 97 HN LYS 97 -7.234 -8.987 19.249 711 HA LYS 97 HA LYS 97 -5.850 -7.330 17.303 712 HB2 LYS 97 2HB LYS 97 -4.646 -7.901 20.026 713 HB3 LYS 97 3HB LYS 97 -3.901 -7.016 18.710 714 HG2 LYS 97 2HG LYS 97 -5.798 -5.339 18.826 715 HG3 LYS 97 3HG LYS 97 -6.426 -6.194 20.220 716 HD2 LYS 97 2HD LYS 97 -3.794 -4.688 19.982 717 HD3 LYS 97 3HD LYS 97 -5.110 -4.385 21.099 718 HE2 LYS 97 2HE LYS 97 -4.667 -6.620 22.185 719 HE3 LYS 97 3HE LYS 97 -3.310 -6.856 21.101 720 HZ1 LYS 97 1HZ LYS 97 -3.551 -4.596 23.016 721 HZ2 LYS 97 2HZ LYS 97 -2.607 -5.905 23.235 722 H ILE 98 HN ILE 98 -4.046 -8.444 16.297 723 HA ILE 98 HA ILE 98 -4.038 -11.321 16.875 724 HB ILE 98 HB ILE 98 -4.421 -9.886 14.280 725 HG12 ILE 98 2HG1 ILE 98 -5.733 -12.158 15.757 726 HG13 ILE 98 3HG1 ILE 98 -6.441 -10.667 15.167 727 HG21 ILE 98 1HG2 ILE 98 -3.728 -11.828 13.017 728 HG22 ILE 98 2HG2 ILE 98 -2.369 -11.240 14.006 729 HG23 ILE 98 3HG2 ILE 98 -3.279 -12.683 14.512 730 HD11 ILE 98 1HD1 ILE 98 -7.185 -12.212 13.566 731 HD12 ILE 98 2HD1 ILE 98 -5.719 -11.572 12.785 732 HD13 ILE 98 3HD1 ILE 98 -5.671 -13.145 13.616 733 H GLY 99 HN GLY 99 -2.075 -11.891 17.623 734 HA2 GLY 99 1HA GLY 99 0.201 -10.172 17.192 735 HA3 GLY 99 2HA GLY 99 0.130 -11.647 18.136 736 H ILE 100 HN ILE 100 2.376 -11.459 16.710 737 HA ILE 100 HA ILE 100 2.133 -12.366 14.035 738 HB ILE 100 HB ILE 100 4.028 -11.071 15.268 739 HG12 ILE 100 2HG1 ILE 100 3.997 -11.576 12.880 740 HG13 ILE 100 3HG1 ILE 100 5.608 -11.762 13.544 741 HG21 ILE 100 1HG2 ILE 100 4.579 -12.625 16.987 742 HG22 ILE 100 2HG2 ILE 100 4.775 -13.952 15.817 743 HG23 ILE 100 3HG2 ILE 100 5.937 -12.604 15.836 744 HD11 ILE 100 1HD1 ILE 100 5.339 -13.695 12.204 745 HD12 ILE 100 2HD1 ILE 100 4.980 -14.285 13.845 746 HD13 ILE 100 3HD1 ILE 100 3.650 -13.927 12.717 747 H ASP 101 HN ASP 101 2.554 -13.913 17.242 748 HA ASP 101 HA ASP 101 3.166 -16.432 16.247 749 HB2 ASP 101 2HB ASP 101 1.565 -16.096 18.785 750 HB3 ASP 101 3HB ASP 101 2.916 -17.168 18.473 751 HD2 ASP 101 HD2 ASP 101 5.290 -14.745 19.336 752 H GLU 102 HN GLU 102 0.210 -14.545 16.466 753 HA GLU 102 HA GLU 102 -1.433 -16.912 16.203 754 HB2 GLU 102 2HB GLU 102 -1.914 -14.038 16.928 755 HB3 GLU 102 3HB GLU 102 -3.234 -14.895 16.157 756 HG2 GLU 102 2HG GLU 102 -3.495 -16.395 17.932 757 HG3 GLU 102 3HG GLU 102 -1.810 -16.305 18.404 758 H PHE 103 HN PHE 103 -0.116 -14.176 14.380 759 HA PHE 103 HA PHE 103 -1.923 -14.509 12.184 760 HB2 PHE 103 2HB PHE 103 -1.017 -12.308 12.489 761 HB3 PHE 103 3HB PHE 103 0.563 -12.922 12.933 762 HD1 PHE 103 HD1 PHE 103 -1.616 -13.386 9.927 763 HD2 PHE 103 HD2 PHE 103 2.161 -12.195 11.451 764 HE1 PHE 103 HE1 PHE 103 -0.800 -12.980 7.588 765 HE2 PHE 103 HE2 PHE 103 2.977 -11.789 9.112 766 HZ PHE 103 HZ PHE 103 1.486 -12.187 7.209 767 H ALA 104 HN ALA 104 1.194 -15.817 13.224 768 HA ALA 104 HA ALA 104 1.835 -16.761 10.567 769 HB1 ALA 104 1HB ALA 104 3.843 -17.652 11.686 770 HB2 ALA 104 2HB ALA 104 3.591 -15.940 12.103 771 HB3 ALA 104 3HB ALA 104 3.163 -17.213 13.271 772 H ALA 105 HN ALA 105 -0.105 -17.713 13.254 773 HA ALA 105 HA ALA 105 0.240 -20.541 12.848 774 HB1 ALA 105 1HB ALA 105 -0.517 -18.990 14.964 775 HB2 ALA 105 2HB ALA 105 -2.106 -19.505 14.349 776 HB3 ALA 105 3HB ALA 105 -0.894 -20.723 14.815 777 H MET 106 HN MET 106 -2.335 -18.050 12.263 778 HA MET 106 HA MET 106 -4.163 -19.731 11.133 779 HB2 MET 106 2HB MET 106 -5.001 -17.610 10.008 780 HB3 MET 106 3HB MET 106 -4.662 -17.389 11.713 781 HG2 MET 106 2HG MET 106 -2.331 -16.544 11.038 782 HG3 MET 106 3HG MET 106 -2.878 -16.570 9.373 783 HE1 MET 106 1HE MET 106 -5.691 -15.694 9.178 784 HE2 MET 106 2HE MET 106 -6.063 -16.032 10.886 785 HE3 MET 106 3HE MET 106 -6.290 -14.391 10.233 786 H ILE 107 HN ILE 107 -1.056 -18.780 9.920 787 HA ILE 107 HA ILE 107 -1.838 -19.458 7.183 788 HB ILE 107 HB ILE 107 0.459 -18.573 6.656 789 HG12 ILE 107 2HG1 ILE 107 0.334 -17.539 9.504 790 HG13 ILE 107 3HG1 ILE 107 1.385 -18.828 8.951 791 HG21 ILE 107 1HG2 ILE 107 -1.814 -16.932 7.717 792 HG22 ILE 107 2HG2 ILE 107 -0.315 -16.130 7.192 793 HG23 ILE 107 3HG2 ILE 107 -1.233 -17.137 6.047 794 HD11 ILE 107 1HD1 ILE 107 1.527 -15.883 8.391 795 HD12 ILE 107 2HD1 ILE 107 2.840 -17.047 8.687 796 HD13 ILE 107 3HD1 ILE 107 2.049 -16.983 7.094 797 H LYS 108 HN LYS 108 0.474 -20.283 9.833 798 HA LYS 108 HA LYS 108 1.829 -22.289 8.499 799 HB2 LYS 108 2HB LYS 108 2.504 -21.265 10.647 800 HB3 LYS 108 3HB LYS 108 1.181 -22.082 11.455 801 HG2 LYS 108 2HG LYS 108 2.313 -24.059 11.537 802 HG3 LYS 108 3HG LYS 108 2.765 -23.964 9.847 803 HD2 LYS 108 2HD LYS 108 4.164 -22.094 11.746 804 HD3 LYS 108 3HD LYS 108 4.583 -23.792 11.847 805 HE2 LYS 108 2HE LYS 108 4.753 -22.018 9.367 806 HE3 LYS 108 3HE LYS 108 6.099 -22.691 10.266 807 HZ1 LYS 108 1HZ LYS 108 4.888 -24.937 9.682 808 HZ2 LYS 108 2HZ LYS 108 4.249 -24.074 8.458 809 H GLY 109 HN GLY 109 -1.418 -22.208 9.920 810 HA2 GLY 109 1HA GLY 109 -2.481 -24.271 8.519 811 HA3 GLY 109 2HA GLY 109 -1.746 -25.071 9.894 Start of MODEL 16 1 H SER 0 HN SER 0 3.237 0.027 -6.603 2 HA SER 0 HA SER 0 5.861 -0.873 -5.785 3 HB2 SER 0 2HB SER 0 4.446 1.762 -5.940 4 HB3 SER 0 3HB SER 0 5.613 1.588 -4.645 5 HG SER 0 HG SER 0 7.224 1.692 -6.057 6 H MET 1 HN MET 1 5.553 -2.397 -4.135 7 HA MET 1 HA MET 1 4.212 -1.338 -1.781 8 HB2 MET 1 2HB MET 1 3.470 -3.845 -1.437 9 HB3 MET 1 3HB MET 1 2.568 -2.874 -2.583 10 HG2 MET 1 2HG MET 1 4.052 -3.780 -4.438 11 HG3 MET 1 3HG MET 1 4.816 -4.832 -3.263 12 HE1 MET 1 1HE MET 1 4.138 -6.695 -2.378 13 HE2 MET 1 2HE MET 1 2.637 -7.618 -2.627 14 HE3 MET 1 3HE MET 1 3.832 -7.492 -3.940 15 H ALA 2 HN ALA 2 4.673 -3.222 0.098 16 HA ALA 2 HA ALA 2 7.556 -3.193 0.276 17 HB1 ALA 2 1HB ALA 2 5.486 -2.831 2.066 18 HB2 ALA 2 2HB ALA 2 5.994 -4.501 2.413 19 HB3 ALA 2 3HB ALA 2 7.175 -3.173 2.509 20 H PHE 3 HN PHE 3 4.855 -5.617 0.349 21 HA PHE 3 HA PHE 3 6.468 -7.856 0.570 22 HB2 PHE 3 2HB PHE 3 3.716 -7.102 -0.446 23 HB3 PHE 3 3HB PHE 3 4.288 -8.697 -0.893 24 HD1 PHE 3 HD1 PHE 3 2.516 -6.904 1.511 25 HD2 PHE 3 HD2 PHE 3 5.300 -10.086 1.152 26 HE1 PHE 3 HE1 PHE 3 1.790 -7.791 3.744 27 HE2 PHE 3 HE2 PHE 3 4.574 -10.973 3.385 28 HZ PHE 3 HZ PHE 3 2.827 -9.815 4.654 29 H ALA 4 HN ALA 4 6.152 -5.626 -2.051 30 HA ALA 4 HA ALA 4 6.348 -7.244 -4.270 31 HB1 ALA 4 1HB ALA 4 7.911 -5.058 -4.886 32 HB2 ALA 4 2HB ALA 4 6.133 -5.094 -4.958 33 HB3 ALA 4 3HB ALA 4 6.952 -4.451 -3.515 34 H SER 5 HN SER 5 8.599 -6.746 -1.649 35 HA SER 5 HA SER 5 10.800 -7.680 -3.266 36 HB2 SER 5 2HB SER 5 10.498 -6.420 -0.556 37 HB3 SER 5 3HB SER 5 11.883 -7.466 -0.796 38 HG SER 5 HG SER 5 11.573 -4.903 -1.598 39 H VAL 6 HN VAL 6 8.777 -8.610 -0.421 40 HA VAL 6 HA VAL 6 10.136 -10.998 0.136 41 HB VAL 6 HB VAL 6 7.245 -10.269 0.644 42 HG11 VAL 6 1HG1 VAL 6 8.121 -11.734 2.796 43 HG12 VAL 6 2HG1 VAL 6 7.192 -12.382 1.423 44 HG13 VAL 6 3HG1 VAL 6 8.966 -12.524 1.443 45 HG21 VAL 6 1HG2 VAL 6 8.252 -9.607 2.942 46 HG22 VAL 6 2HG2 VAL 6 9.794 -9.498 2.061 47 HG23 VAL 6 3HG2 VAL 6 8.419 -8.477 1.577 48 H LEU 7 HN LEU 7 6.928 -10.495 -1.511 49 HA LEU 7 HA LEU 7 7.507 -12.966 -2.993 50 HB2 LEU 7 2HB LEU 7 4.764 -11.888 -2.377 51 HB3 LEU 7 3HB LEU 7 5.195 -13.465 -3.008 52 HG LEU 7 HG LEU 7 6.228 -12.688 -0.307 53 HD11 LEU 7 1HD1 LEU 7 3.582 -14.003 -0.299 54 HD12 LEU 7 2HD1 LEU 7 4.273 -12.786 0.802 55 HD13 LEU 7 3HD1 LEU 7 3.586 -12.284 -0.762 56 HD21 LEU 7 1HD2 LEU 7 6.505 -14.919 0.023 57 HD22 LEU 7 2HD2 LEU 7 5.084 -15.360 -0.953 58 HD23 LEU 7 3HD2 LEU 7 6.604 -14.896 -1.754 59 H LYS 8 HN LYS 8 5.749 -12.860 -5.043 60 HA LYS 8 HA LYS 8 6.763 -10.584 -6.526 61 HB2 LYS 8 2HB LYS 8 5.070 -12.789 -7.677 62 HB3 LYS 8 3HB LYS 8 6.294 -11.809 -8.459 63 HG2 LYS 8 2HG LYS 8 6.823 -13.901 -6.294 64 HG3 LYS 8 3HG LYS 8 7.113 -14.121 -8.008 65 HD2 LYS 8 2HD LYS 8 8.389 -11.780 -6.564 66 HD3 LYS 8 3HD LYS 8 9.098 -13.376 -6.416 67 HE2 LYS 8 2HE LYS 8 10.239 -12.613 -8.299 68 HE3 LYS 8 3HE LYS 8 8.878 -13.396 -9.077 69 HZ1 LYS 8 1HZ LYS 8 8.031 -11.400 -9.721 70 HZ2 LYS 8 2HZ LYS 8 8.417 -10.627 -8.342 71 H ASP 9 HN ASP 9 5.610 -8.767 -6.896 72 HA ASP 9 HA ASP 9 3.143 -8.415 -5.717 73 HB2 ASP 9 2HB ASP 9 4.664 -6.555 -6.273 74 HB3 ASP 9 3HB ASP 9 4.515 -6.899 -7.985 75 HD2 ASP 9 HD2 ASP 9 2.255 -4.244 -7.788 76 H ALA 10 HN ALA 10 4.093 -9.985 -8.657 77 HA ALA 10 HA ALA 10 1.629 -9.449 -10.068 78 HB1 ALA 10 1HB ALA 10 2.723 -10.317 -11.889 79 HB2 ALA 10 2HB ALA 10 4.150 -9.904 -10.909 80 HB3 ALA 10 3HB ALA 10 3.542 -11.576 -10.935 81 H GLU 11 HN GLU 11 2.873 -11.658 -7.685 82 HA GLU 11 HA GLU 11 1.027 -13.727 -8.436 83 HB2 GLU 11 2HB GLU 11 3.200 -13.430 -6.356 84 HB3 GLU 11 3HB GLU 11 2.000 -14.691 -6.158 85 HG2 GLU 11 2HG GLU 11 2.640 -15.805 -8.152 86 HG3 GLU 11 3HG GLU 11 3.388 -14.373 -8.833 87 HE2 GLU 11 HE2 GLU 11 5.549 -15.690 -5.758 88 H VAL 12 HN VAL 12 1.706 -11.906 -5.352 89 HA VAL 12 HA VAL 12 -0.533 -12.552 -3.988 90 HB VAL 12 HB VAL 12 -0.233 -10.447 -2.793 91 HG11 VAL 12 1HG1 VAL 12 1.493 -12.509 -2.858 92 HG12 VAL 12 2HG1 VAL 12 2.589 -11.204 -3.370 93 HG13 VAL 12 3HG1 VAL 12 1.724 -11.083 -1.819 94 HG21 VAL 12 1HG2 VAL 12 0.553 -8.586 -3.740 95 HG22 VAL 12 2HG2 VAL 12 2.054 -9.408 -4.229 96 HG23 VAL 12 3HG2 VAL 12 0.625 -9.461 -5.288 97 H THR 13 HN THR 13 -0.245 -10.474 -6.835 98 HA THR 13 HA THR 13 -2.468 -8.909 -6.680 99 HB THR 13 HB THR 13 -0.565 -9.428 -8.544 100 HG1 THR 13 HG1 THR 13 -3.321 -8.546 -9.045 101 HG21 THR 13 1HG2 THR 13 -1.772 -10.249 -10.601 102 HG22 THR 13 2HG2 THR 13 -1.578 -11.532 -9.383 103 HG23 THR 13 3HG2 THR 13 -3.148 -10.716 -9.573 104 H ALA 14 HN ALA 14 -2.364 -12.351 -7.800 105 HA ALA 14 HA ALA 14 -5.060 -12.561 -8.375 106 HB1 ALA 14 1HB ALA 14 -3.957 -14.409 -9.122 107 HB2 ALA 14 2HB ALA 14 -2.777 -14.370 -7.789 108 HB3 ALA 14 3HB ALA 14 -4.393 -15.070 -7.528 109 H ALA 15 HN ALA 15 -3.306 -12.557 -5.280 110 HA ALA 15 HA ALA 15 -5.494 -13.606 -3.783 111 HB1 ALA 15 1HB ALA 15 -2.851 -13.433 -3.342 112 HB2 ALA 15 2HB ALA 15 -3.353 -11.935 -2.523 113 HB3 ALA 15 3HB ALA 15 -4.030 -13.499 -2.011 114 H LEU 16 HN LEU 16 -4.560 -10.481 -5.091 115 HA LEU 16 HA LEU 16 -6.238 -9.033 -3.243 116 HB2 LEU 16 2HB LEU 16 -4.419 -8.322 -5.515 117 HB3 LEU 16 3HB LEU 16 -5.599 -7.158 -4.945 118 HG LEU 16 HG LEU 16 -3.778 -8.459 -2.949 119 HD11 LEU 16 1HD1 LEU 16 -1.964 -7.800 -4.079 120 HD12 LEU 16 2HD1 LEU 16 -2.903 -6.763 -5.179 121 HD13 LEU 16 3HD1 LEU 16 -2.425 -6.156 -3.575 122 HD21 LEU 16 1HD2 LEU 16 -3.982 -5.814 -2.314 123 HD22 LEU 16 2HD2 LEU 16 -5.550 -6.112 -3.103 124 HD23 LEU 16 3HD2 LEU 16 -5.055 -7.098 -1.706 125 H ASP 17 HN ASP 17 -6.339 -10.406 -6.529 126 HA ASP 17 HA ASP 17 -8.836 -9.080 -7.035 127 HB2 ASP 17 2HB ASP 17 -6.873 -9.718 -8.719 128 HB3 ASP 17 3HB ASP 17 -7.665 -11.281 -8.757 129 HD2 ASP 17 HD2 ASP 17 -9.159 -11.197 -10.735 130 H GLY 18 HN GLY 18 -7.578 -12.008 -5.642 131 HA2 GLY 18 1HA GLY 18 -9.642 -13.827 -6.355 132 HA3 GLY 18 2HA GLY 18 -8.477 -13.991 -5.056 133 H CYS 19 HN CYS 19 -9.736 -10.986 -4.489 134 HA CYS 19 HA CYS 19 -12.108 -11.988 -3.124 135 HB2 CYS 19 2HB CYS 19 -11.474 -10.671 -1.088 136 HB3 CYS 19 3HB CYS 19 -10.475 -12.080 -1.381 137 HG CYS 19 HG CYS 19 -8.383 -10.983 -1.480 138 H LYS 20 HN LYS 20 -11.348 -10.342 -5.607 139 HA LYS 20 HA LYS 20 -11.744 -7.640 -5.141 140 HB2 LYS 20 2HB LYS 20 -11.021 -9.009 -7.269 141 HB3 LYS 20 3HB LYS 20 -12.732 -8.975 -7.644 142 HG2 LYS 20 2HG LYS 20 -12.419 -6.358 -7.002 143 HG3 LYS 20 3HG LYS 20 -10.772 -6.698 -7.496 144 HD2 LYS 20 2HD LYS 20 -11.900 -5.973 -9.485 145 HD3 LYS 20 3HD LYS 20 -11.728 -7.709 -9.651 146 HE2 LYS 20 2HE LYS 20 -14.053 -6.697 -10.198 147 HE3 LYS 20 3HE LYS 20 -14.024 -8.117 -9.171 148 HZ1 LYS 20 1HZ LYS 20 -15.098 -5.641 -8.533 149 HZ2 LYS 20 2HZ LYS 20 -14.956 -6.919 -7.534 150 H ALA 21 HN ALA 21 -13.927 -10.336 -4.869 151 HA ALA 21 HA ALA 21 -16.260 -8.619 -5.145 152 HB1 ALA 21 1HB ALA 21 -15.931 -11.606 -4.654 153 HB2 ALA 21 2HB ALA 21 -17.487 -10.770 -4.873 154 HB3 ALA 21 3HB ALA 21 -16.309 -10.823 -6.207 155 H ALA 22 HN ALA 22 -17.754 -8.263 -3.411 156 HA ALA 22 HA ALA 22 -16.451 -8.085 -0.868 157 HB1 ALA 22 1HB ALA 22 -18.052 -6.394 -1.933 158 HB2 ALA 22 2HB ALA 22 -19.362 -7.530 -1.530 159 HB3 ALA 22 3HB ALA 22 -18.372 -6.817 -0.234 160 H GLY 23 HN GLY 23 -17.323 -9.017 1.143 161 HA2 GLY 23 1HA GLY 23 -17.844 -10.850 2.345 162 HA3 GLY 23 2HA GLY 23 -19.321 -10.853 1.404 163 H SER 24 HN SER 24 -16.241 -11.217 -0.293 164 HA SER 24 HA SER 24 -16.685 -14.090 -0.386 165 HB2 SER 24 2HB SER 24 -17.479 -12.567 -2.461 166 HB3 SER 24 3HB SER 24 -15.784 -12.684 -2.890 167 HG SER 24 HG SER 24 -15.973 -14.817 -3.299 168 H PHE 25 HN PHE 25 -14.771 -12.068 0.968 169 HA PHE 25 HA PHE 25 -12.265 -12.614 -0.344 170 HB2 PHE 25 2HB PHE 25 -12.465 -10.453 0.700 171 HB3 PHE 25 3HB PHE 25 -13.334 -11.102 2.076 172 HD1 PHE 25 HD1 PHE 25 -9.982 -10.938 0.505 173 HD2 PHE 25 HD2 PHE 25 -12.194 -11.713 4.043 174 HE1 PHE 25 HE1 PHE 25 -7.849 -10.992 1.827 175 HE2 PHE 25 HE2 PHE 25 -10.061 -11.766 5.365 176 HZ PHE 25 HZ PHE 25 -7.914 -11.405 4.241 177 H ASP 26 HN ASP 26 -10.700 -14.084 0.296 178 HA ASP 26 HA ASP 26 -11.383 -15.642 2.663 179 HB2 ASP 26 2HB ASP 26 -10.350 -16.545 -0.053 180 HB3 ASP 26 3HB ASP 26 -10.141 -17.546 1.370 181 HD2 ASP 26 HD2 ASP 26 -12.601 -17.681 2.517 182 H HIS 27 HN HIS 27 -9.776 -15.184 4.178 183 HA HIS 27 HA HIS 27 -7.322 -14.044 3.433 184 HB2 HIS 27 2HB HIS 27 -6.937 -13.816 5.683 185 HB3 HIS 27 3HB HIS 27 -8.686 -13.916 5.650 186 HD1 HIS 27 HD1 HIS 27 -9.740 -15.670 7.112 187 HD2 HIS 27 HD2 HIS 27 -5.675 -16.417 6.395 188 HE1 HIS 27 HE1 HIS 27 -9.111 -17.665 8.573 189 H LYS 28 HN LYS 28 -8.130 -17.309 4.822 190 HA LYS 28 HA LYS 28 -5.671 -18.425 4.770 191 HB2 LYS 28 2HB LYS 28 -6.782 -20.569 4.643 192 HB3 LYS 28 3HB LYS 28 -7.712 -19.482 5.655 193 HG2 LYS 28 2HG LYS 28 -9.041 -18.919 3.457 194 HG3 LYS 28 3HG LYS 28 -8.314 -20.378 2.815 195 HD2 LYS 28 2HD LYS 28 -9.726 -20.433 5.503 196 HD3 LYS 28 3HD LYS 28 -10.654 -20.529 4.020 197 HE2 LYS 28 2HE LYS 28 -8.882 -22.426 3.387 198 HE3 LYS 28 3HE LYS 28 -8.631 -22.493 5.120 199 HZ1 LYS 28 1HZ LYS 28 -10.387 -24.019 4.470 200 HZ2 LYS 28 2HZ LYS 28 -11.054 -22.840 5.374 201 H LYS 29 HN LYS 29 -7.982 -18.172 1.993 202 HA LYS 29 HA LYS 29 -6.330 -19.500 0.172 203 HB2 LYS 29 2HB LYS 29 -8.699 -17.672 -0.004 204 HB3 LYS 29 3HB LYS 29 -7.795 -18.017 -1.465 205 HG2 LYS 29 2HG LYS 29 -9.245 -19.818 -1.538 206 HG3 LYS 29 3HG LYS 29 -7.986 -20.548 -0.562 207 HD2 LYS 29 2HD LYS 29 -9.391 -19.401 1.442 208 HD3 LYS 29 3HD LYS 29 -10.694 -19.531 0.278 209 HE2 LYS 29 2HE LYS 29 -10.034 -22.006 -0.012 210 HE3 LYS 29 3HE LYS 29 -8.970 -21.801 1.366 211 HZ1 LYS 29 1HZ LYS 29 -11.844 -21.102 1.529 212 HZ2 LYS 29 2HZ LYS 29 -11.314 -22.606 1.860 213 H PHE 30 HN PHE 30 -6.781 -15.967 0.865 214 HA PHE 30 HA PHE 30 -5.132 -14.903 -0.975 215 HB2 PHE 30 2HB PHE 30 -6.484 -14.062 1.248 216 HB3 PHE 30 3HB PHE 30 -4.871 -14.061 1.934 217 HD1 PHE 30 HD1 PHE 30 -3.057 -12.835 0.402 218 HD2 PHE 30 HD2 PHE 30 -7.236 -12.112 0.280 219 HE1 PHE 30 HE1 PHE 30 -2.636 -10.568 -0.591 220 HE2 PHE 30 HE2 PHE 30 -6.815 -9.846 -0.714 221 HZ PHE 30 HZ PHE 30 -4.520 -9.101 -1.137 222 H PHE 31 HN PHE 31 -4.019 -15.758 2.387 223 HA PHE 31 HA PHE 31 -1.369 -15.330 2.022 224 HB2 PHE 31 2HB PHE 31 -2.934 -17.503 3.531 225 HB3 PHE 31 3HB PHE 31 -1.217 -17.259 3.786 226 HD1 PHE 31 HD1 PHE 31 -0.489 -14.864 4.497 227 HD2 PHE 31 HD2 PHE 31 -4.467 -16.309 4.806 228 HE1 PHE 31 HE1 PHE 31 -0.994 -13.106 6.216 229 HE2 PHE 31 HE2 PHE 31 -4.972 -14.550 6.525 230 HZ PHE 31 HZ PHE 31 -3.229 -12.970 7.209 231 H LYS 32 HN LYS 32 -3.344 -17.987 0.756 232 HA LYS 32 HA LYS 32 -1.113 -19.676 0.192 233 HB2 LYS 32 2HB LYS 32 -3.673 -20.217 0.562 234 HB3 LYS 32 3HB LYS 32 -3.775 -19.939 -1.165 235 HG2 LYS 32 2HG LYS 32 -1.578 -21.726 -0.097 236 HG3 LYS 32 3HG LYS 32 -3.206 -22.363 -0.215 237 HD2 LYS 32 2HD LYS 32 -3.042 -21.259 -2.684 238 HD3 LYS 32 3HD LYS 32 -1.331 -21.520 -2.411 239 HE2 LYS 32 2HE LYS 32 -1.944 -23.946 -1.749 240 HE3 LYS 32 3HE LYS 32 -3.547 -23.614 -2.375 241 HZ1 LYS 32 1HZ LYS 32 -2.514 -23.055 -4.526 242 HZ2 LYS 32 2HZ LYS 32 -1.032 -23.392 -3.942 243 H ALA 33 HN ALA 33 -3.416 -17.819 -1.927 244 HA ALA 33 HA ALA 33 -1.952 -18.152 -4.252 245 HB1 ALA 33 1HB ALA 33 -3.999 -17.319 -4.776 246 HB2 ALA 33 2HB ALA 33 -4.140 -16.432 -3.239 247 HB3 ALA 33 3HB ALA 33 -3.211 -15.734 -4.588 248 H CYS 34 HN CYS 34 -1.323 -16.217 -1.412 249 HA CYS 34 HA CYS 34 0.412 -14.412 -2.843 250 HB2 CYS 34 2HB CYS 34 -0.677 -14.594 -0.075 251 HB3 CYS 34 3HB CYS 34 0.896 -13.841 -0.248 252 HG CYS 34 HG CYS 34 -0.800 -11.918 -0.247 253 H GLY 35 HN GLY 35 0.453 -17.472 -1.101 254 HA2 GLY 35 1HA GLY 35 2.228 -18.981 -1.309 255 HA3 GLY 35 2HA GLY 35 3.350 -17.653 -1.534 256 H LEU 36 HN LEU 36 1.800 -16.206 0.799 257 HA LEU 36 HA LEU 36 3.605 -16.594 2.780 258 HB2 LEU 36 2HB LEU 36 0.764 -15.665 2.726 259 HB3 LEU 36 3HB LEU 36 1.560 -15.881 4.273 260 HG LEU 36 HG LEU 36 2.557 -14.097 2.033 261 HD11 LEU 36 1HD1 LEU 36 1.846 -12.225 3.426 262 HD12 LEU 36 2HD1 LEU 36 0.466 -13.270 3.011 263 HD13 LEU 36 3HD1 LEU 36 1.189 -13.355 4.635 264 HD21 LEU 36 1HD2 LEU 36 3.866 -13.217 4.199 265 HD22 LEU 36 2HD2 LEU 36 3.710 -14.933 4.642 266 HD23 LEU 36 3HD2 LEU 36 4.509 -14.477 3.118 267 H SER 37 HN SER 37 0.366 -18.223 2.524 268 HA SER 37 HA SER 37 0.717 -19.813 4.734 269 HB2 SER 37 2HB SER 37 -1.418 -19.414 3.409 270 HB3 SER 37 3HB SER 37 -0.827 -20.546 2.209 271 HG SER 37 HG SER 37 -1.944 -21.034 4.722 272 H GLY 38 HN GLY 38 2.576 -21.036 5.010 273 HA2 GLY 38 1HA GLY 38 3.316 -23.320 4.466 274 HA3 GLY 38 2HA GLY 38 3.315 -22.839 2.781 275 H LYS 39 HN LYS 39 4.291 -20.030 3.533 276 HA LYS 39 HA LYS 39 6.983 -20.439 3.087 277 HB2 LYS 39 2HB LYS 39 5.290 -18.139 3.978 278 HB3 LYS 39 3HB LYS 39 7.028 -17.986 4.128 279 HG2 LYS 39 2HG LYS 39 5.557 -18.754 1.562 280 HG3 LYS 39 3HG LYS 39 6.180 -17.155 1.920 281 HD2 LYS 39 2HD LYS 39 8.439 -18.648 2.360 282 HD3 LYS 39 3HD LYS 39 7.656 -19.641 1.146 283 HE2 LYS 39 2HE LYS 39 7.315 -17.183 -0.003 284 HE3 LYS 39 3HE LYS 39 8.785 -16.874 0.900 285 HZ1 LYS 39 1HZ LYS 39 8.987 -19.383 -0.398 286 HZ2 LYS 39 2HZ LYS 39 8.576 -18.256 -1.499 287 H SER 40 HN SER 40 8.487 -19.005 4.922 288 HA SER 40 HA SER 40 8.559 -20.941 7.045 289 HB2 SER 40 2HB SER 40 10.445 -18.858 5.950 290 HB3 SER 40 3HB SER 40 10.691 -19.415 7.593 291 HG SER 40 HG SER 40 10.692 -21.644 6.710 292 H THR 41 HN THR 41 8.229 -20.471 9.256 293 HA THR 41 HA THR 41 6.515 -18.359 9.879 294 HB THR 41 HB THR 41 8.189 -20.377 11.412 295 HG1 THR 41 HG1 THR 41 6.219 -21.256 10.865 296 HG21 THR 41 1HG2 THR 41 6.460 -19.440 13.306 297 HG22 THR 41 2HG2 THR 41 8.146 -18.880 13.195 298 HG23 THR 41 3HG2 THR 41 6.837 -17.912 12.475 299 H ASP 42 HN ASP 42 9.916 -18.349 9.324 300 HA ASP 42 HA ASP 42 10.582 -16.331 11.140 301 HB2 ASP 42 2HB ASP 42 12.219 -17.847 9.991 302 HB3 ASP 42 3HB ASP 42 11.855 -17.072 8.462 303 HD2 ASP 42 HD2 ASP 42 14.321 -16.219 11.123 304 H GLU 43 HN GLU 43 10.160 -16.317 7.509 305 HA GLU 43 HA GLU 43 10.253 -13.579 7.247 306 HB2 GLU 43 2HB GLU 43 9.668 -13.943 5.003 307 HB3 GLU 43 3HB GLU 43 10.358 -15.487 5.463 308 HG2 GLU 43 2HG GLU 43 8.072 -16.388 5.906 309 HG3 GLU 43 3HG GLU 43 7.371 -14.839 5.481 310 HE2 GLU 43 HE2 GLU 43 7.074 -14.472 3.363 311 H VAL 44 HN VAL 44 7.522 -15.810 7.923 312 HA VAL 44 HA VAL 44 5.353 -14.316 7.445 313 HB VAL 44 HB VAL 44 6.051 -16.088 9.779 314 HG11 VAL 44 1HG1 VAL 44 3.542 -14.526 9.274 315 HG12 VAL 44 2HG1 VAL 44 3.411 -16.172 9.939 316 HG13 VAL 44 3HG1 VAL 44 4.346 -14.932 10.809 317 HG21 VAL 44 1HG2 VAL 44 4.788 -17.759 8.624 318 HG22 VAL 44 2HG2 VAL 44 4.167 -16.572 7.452 319 HG23 VAL 44 3HG2 VAL 44 5.889 -17.020 7.437 320 H LYS 45 HN LYS 45 7.529 -14.002 10.323 321 HA LYS 45 HA LYS 45 6.073 -11.965 11.546 322 HB2 LYS 45 2HB LYS 45 9.052 -12.509 11.707 323 HB3 LYS 45 3HB LYS 45 8.096 -11.597 12.858 324 HG2 LYS 45 2HG LYS 45 7.026 -13.500 13.705 325 HG3 LYS 45 3HG LYS 45 7.180 -14.392 12.204 326 HD2 LYS 45 2HD LYS 45 9.685 -14.533 12.612 327 HD3 LYS 45 3HD LYS 45 9.435 -13.770 14.169 328 HE2 LYS 45 2HE LYS 45 8.219 -15.629 15.033 329 HE3 LYS 45 3HE LYS 45 7.856 -16.257 13.437 330 HZ1 LYS 45 1HZ LYS 45 10.403 -16.532 13.257 331 HZ2 LYS 45 2HZ LYS 45 10.428 -16.381 14.879 332 H LYS 46 HN LYS 46 8.807 -11.879 9.179 333 HA LYS 46 HA LYS 46 8.987 -9.079 9.140 334 HB2 LYS 46 2HB LYS 46 9.746 -10.893 6.850 335 HB3 LYS 46 3HB LYS 46 10.478 -9.376 7.334 336 HG2 LYS 46 2HG LYS 46 10.815 -10.781 9.650 337 HG3 LYS 46 3HG LYS 46 10.819 -12.114 8.512 338 HD2 LYS 46 2HD LYS 46 13.062 -11.595 8.375 339 HD3 LYS 46 3HD LYS 46 12.490 -10.459 7.170 340 HE2 LYS 46 2HE LYS 46 12.318 -8.689 8.965 341 HE3 LYS 46 3HE LYS 46 12.974 -9.830 10.122 342 HZ1 LYS 46 1HZ LYS 46 14.631 -8.293 8.999 343 HZ2 LYS 46 2HZ LYS 46 15.031 -9.871 8.966 344 H ALA 47 HN ALA 47 6.656 -11.324 7.854 345 HA ALA 47 HA ALA 47 5.784 -9.563 5.752 346 HB1 ALA 47 1HB ALA 47 5.693 -12.068 5.632 347 HB2 ALA 47 2HB ALA 47 4.472 -12.046 6.927 348 HB3 ALA 47 3HB ALA 47 4.117 -11.288 5.356 349 H PHE 48 HN PHE 48 4.985 -10.327 9.147 350 HA PHE 48 HA PHE 48 2.481 -9.047 9.155 351 HB2 PHE 48 2HB PHE 48 3.150 -10.644 10.896 352 HB3 PHE 48 3HB PHE 48 4.638 -9.773 11.210 353 HD1 PHE 48 HD1 PHE 48 4.612 -7.699 12.520 354 HD2 PHE 48 HD2 PHE 48 1.061 -9.930 11.872 355 HE1 PHE 48 HE1 PHE 48 3.484 -6.444 14.379 356 HE2 PHE 48 HE2 PHE 48 -0.067 -8.676 13.731 357 HZ PHE 48 HZ PHE 48 1.159 -6.948 14.962 358 H ALA 49 HN ALA 49 5.771 -7.861 9.126 359 HA ALA 49 HA ALA 49 5.063 -5.341 10.354 360 HB1 ALA 49 1HB ALA 49 7.246 -5.540 10.875 361 HB2 ALA 49 2HB ALA 49 7.477 -6.848 9.690 362 HB3 ALA 49 3HB ALA 49 7.601 -5.148 9.175 363 H ILE 50 HN ILE 50 4.487 -6.793 7.392 364 HA ILE 50 HA ILE 50 5.092 -4.494 5.761 365 HB ILE 50 HB ILE 50 3.662 -7.078 5.131 366 HG12 ILE 50 2HG1 ILE 50 6.072 -7.250 5.900 367 HG13 ILE 50 3HG1 ILE 50 5.702 -7.937 4.331 368 HG21 ILE 50 1HG2 ILE 50 4.255 -4.650 3.544 369 HG22 ILE 50 2HG2 ILE 50 4.625 -6.207 2.765 370 HG23 ILE 50 3HG2 ILE 50 2.978 -5.874 3.351 371 HD11 ILE 50 1HD1 ILE 50 6.978 -6.400 3.202 372 HD12 ILE 50 2HD1 ILE 50 6.489 -5.063 4.271 373 HD13 ILE 50 3HD1 ILE 50 7.766 -6.193 4.785 374 H ILE 51 HN ILE 51 2.124 -6.280 6.853 375 HA ILE 51 HA ILE 51 0.366 -4.354 5.800 376 HB ILE 51 HB ILE 51 -0.196 -6.247 8.073 377 HG12 ILE 51 2HG1 ILE 51 -0.879 -7.370 5.521 378 HG13 ILE 51 3HG1 ILE 51 0.819 -6.940 5.506 379 HG21 ILE 51 1HG2 ILE 51 -2.238 -5.990 6.048 380 HG22 ILE 51 2HG2 ILE 51 -2.322 -5.673 7.797 381 HG23 ILE 51 3HG2 ILE 51 -1.782 -4.392 6.686 382 HD11 ILE 51 1HD1 ILE 51 0.684 -8.060 7.985 383 HD12 ILE 51 2HD1 ILE 51 -0.614 -8.966 7.172 384 HD13 ILE 51 3HD1 ILE 51 1.040 -8.998 6.515 385 H ASP 52 HN ASP 52 1.817 -4.875 9.066 386 HA ASP 52 HA ASP 52 0.400 -2.815 10.271 387 HB2 ASP 52 2HB ASP 52 2.923 -4.356 10.859 388 HB3 ASP 52 3HB ASP 52 2.638 -2.896 11.785 389 HD2 ASP 52 HD2 ASP 52 1.488 -6.009 11.121 390 H GLN 53 HN GLN 53 0.521 -0.725 9.380 391 HA GLN 53 HA GLN 53 3.123 0.172 8.478 392 HB2 GLN 53 2HB GLN 53 0.349 1.392 8.129 393 HB3 GLN 53 3HB GLN 53 1.822 2.071 7.466 394 HG2 GLN 53 2HG GLN 53 2.172 0.173 6.017 395 HG3 GLN 53 3HG GLN 53 0.986 -0.796 6.870 396 HE21 GLN 53 1HE2 GLN 53 -1.181 -0.517 6.522 397 HE22 GLN 53 2HE2 GLN 53 -1.840 0.418 5.221 398 H ASP 54 HN ASP 54 1.126 0.279 11.142 399 HA ASP 54 HA ASP 54 2.171 2.903 12.120 400 HB2 ASP 54 2HB ASP 54 0.375 2.428 13.895 401 HB3 ASP 54 3HB ASP 54 -0.210 2.696 12.255 402 H LYS 55 HN LYS 55 2.751 -0.543 12.358 403 HA LYS 55 HA LYS 55 3.711 -1.813 13.932 404 HB2 LYS 55 2HB LYS 55 5.714 0.351 14.401 405 HB3 LYS 55 3HB LYS 55 5.956 -1.353 14.072 406 HG2 LYS 55 2HG LYS 55 4.925 0.659 12.017 407 HG3 LYS 55 3HG LYS 55 6.599 0.160 12.148 408 HD2 LYS 55 2HD LYS 55 4.267 -1.751 11.649 409 HD3 LYS 55 3HD LYS 55 5.303 -1.109 10.390 410 HE2 LYS 55 2HE LYS 55 7.218 -2.082 12.079 411 HE3 LYS 55 3HE LYS 55 5.908 -3.176 12.478 412 HZ1 LYS 55 1HZ LYS 55 5.824 -3.125 9.769 413 HZ2 LYS 55 2HZ LYS 55 7.427 -3.008 10.033 414 H SER 56 HN SER 56 1.512 -0.878 15.128 415 HA SER 56 HA SER 56 2.154 0.649 17.429 416 HB2 SER 56 2HB SER 56 -0.374 -0.962 17.305 417 HB3 SER 56 3HB SER 56 -0.136 0.697 17.819 418 HG SER 56 HG SER 56 -0.688 1.333 15.860 419 H GLY 57 HN GLY 57 1.905 -2.782 16.538 420 HA2 GLY 57 1HA GLY 57 3.407 -4.050 18.191 421 HA3 GLY 57 2HA GLY 57 2.189 -3.579 19.360 422 H PHE 58 HN PHE 58 -0.234 -3.889 18.195 423 HA PHE 58 HA PHE 58 -0.191 -6.622 17.127 424 HB2 PHE 58 2HB PHE 58 -1.915 -5.246 19.263 425 HB3 PHE 58 3HB PHE 58 -2.435 -6.735 18.500 426 HD1 PHE 58 HD1 PHE 58 -1.787 -8.776 19.404 427 HD2 PHE 58 HD2 PHE 58 0.423 -5.295 20.406 428 HE1 PHE 58 HE1 PHE 58 -0.469 -10.096 21.084 429 HE2 PHE 58 HE2 PHE 58 1.741 -6.614 22.086 430 HZ PHE 58 HZ PHE 58 1.279 -8.999 22.405 431 H ILE 59 HN ILE 59 -1.625 -7.064 15.444 432 HA ILE 59 HA ILE 59 -2.696 -4.770 14.122 433 HB ILE 59 HB ILE 59 -2.752 -7.724 13.512 434 HG12 ILE 59 2HG1 ILE 59 -1.130 -5.461 12.307 435 HG13 ILE 59 3HG1 ILE 59 -0.528 -6.633 13.463 436 HG21 ILE 59 1HG2 ILE 59 -4.324 -5.573 12.382 437 HG22 ILE 59 2HG2 ILE 59 -3.240 -6.282 11.161 438 HG23 ILE 59 3HG2 ILE 59 -4.377 -7.322 12.053 439 HD11 ILE 59 1HD1 ILE 59 0.116 -7.483 11.325 440 HD12 ILE 59 2HD1 ILE 59 -1.296 -8.459 11.797 441 HD13 ILE 59 3HD1 ILE 59 -1.481 -7.137 10.619 442 H GLU 60 HN GLU 60 -4.305 -3.851 15.428 443 HA GLU 60 HA GLU 60 -6.236 -5.334 16.728 444 HB2 GLU 60 2HB GLU 60 -6.318 -2.461 15.706 445 HB3 GLU 60 3HB GLU 60 -7.490 -3.141 16.818 446 HG2 GLU 60 2HG GLU 60 -6.080 -2.421 18.461 447 HG3 GLU 60 3HG GLU 60 -5.121 -3.834 18.065 448 HE2 GLU 60 HE2 GLU 60 -2.580 -1.514 17.569 449 H GLU 61 HN GLU 61 -8.661 -5.293 16.240 450 HA GLU 61 HA GLU 61 -9.152 -6.574 13.894 451 HB2 GLU 61 2HB GLU 61 -10.638 -6.585 15.895 452 HB3 GLU 61 3HB GLU 61 -11.108 -4.930 15.563 453 HG2 GLU 61 2HG GLU 61 -12.020 -5.639 13.339 454 HG3 GLU 61 3HG GLU 61 -11.557 -7.295 13.679 455 HE2 GLU 61 HE2 GLU 61 -13.710 -6.734 16.690 456 H GLU 62 HN GLU 62 -8.848 -3.127 14.532 457 HA GLU 62 HA GLU 62 -10.300 -2.307 12.253 458 HB2 GLU 62 2HB GLU 62 -8.242 -0.827 13.951 459 HB3 GLU 62 3HB GLU 62 -9.263 -0.073 12.743 460 HG2 GLU 62 2HG GLU 62 -11.261 -1.146 14.075 461 HG3 GLU 62 3HG GLU 62 -10.096 -1.358 15.367 462 HE2 GLU 62 HE2 GLU 62 -11.432 1.760 16.162 463 H GLU 63 HN GLU 63 -6.956 -3.278 12.950 464 HA GLU 63 HA GLU 63 -6.062 -2.266 10.411 465 HB2 GLU 63 2HB GLU 63 -4.705 -3.644 12.750 466 HB3 GLU 63 3HB GLU 63 -3.869 -3.443 11.223 467 HG2 GLU 63 2HG GLU 63 -4.215 -0.986 11.325 468 HG3 GLU 63 3HG GLU 63 -5.134 -1.157 12.808 469 H LEU 64 HN LEU 64 -7.606 -5.060 11.643 470 HA LEU 64 HA LEU 64 -6.314 -7.042 10.113 471 HB2 LEU 64 2HB LEU 64 -8.750 -6.782 11.761 472 HB3 LEU 64 3HB LEU 64 -8.815 -8.012 10.514 473 HG LEU 64 HG LEU 64 -6.649 -7.818 12.625 474 HD11 LEU 64 1HD1 LEU 64 -8.070 -8.741 14.054 475 HD12 LEU 64 2HD1 LEU 64 -9.344 -8.798 12.812 476 HD13 LEU 64 3HD1 LEU 64 -8.199 -10.152 12.977 477 HD21 LEU 64 1HD2 LEU 64 -7.129 -10.355 11.187 478 HD22 LEU 64 2HD2 LEU 64 -6.441 -9.034 10.212 479 HD23 LEU 64 3HD2 LEU 64 -5.607 -9.578 11.688 480 H LYS 65 HN LYS 65 -9.258 -5.006 9.575 481 HA LYS 65 HA LYS 65 -9.900 -6.142 7.104 482 HB2 LYS 65 2HB LYS 65 -11.343 -4.199 6.828 483 HB3 LYS 65 3HB LYS 65 -11.478 -4.850 8.449 484 HG2 LYS 65 2HG LYS 65 -10.008 -3.101 9.345 485 HG3 LYS 65 3HG LYS 65 -9.643 -2.518 7.733 486 HD2 LYS 65 2HD LYS 65 -11.518 -1.235 7.685 487 HD3 LYS 65 3HD LYS 65 -12.534 -2.594 8.122 488 HE2 LYS 65 2HE LYS 65 -12.870 -1.442 10.073 489 HE3 LYS 65 3HE LYS 65 -11.313 -2.099 10.539 490 HZ1 LYS 65 1HZ LYS 65 -10.382 -0.012 9.364 491 HZ2 LYS 65 2HZ LYS 65 -11.888 0.596 9.486 492 H LEU 66 HN LEU 66 -7.226 -4.220 8.084 493 HA LEU 66 HA LEU 66 -6.862 -3.107 5.421 494 HB2 LEU 66 2HB LEU 66 -4.961 -2.773 7.712 495 HB3 LEU 66 3HB LEU 66 -5.255 -1.713 6.348 496 HG LEU 66 HG LEU 66 -7.164 -2.179 8.656 497 HD11 LEU 66 1HD1 LEU 66 -4.954 -0.880 9.037 498 HD12 LEU 66 2HD1 LEU 66 -5.734 0.403 8.081 499 HD13 LEU 66 3HD1 LEU 66 -6.488 -0.167 9.590 500 HD21 LEU 66 1HD2 LEU 66 -8.522 -0.417 7.728 501 HD22 LEU 66 2HD2 LEU 66 -7.366 -0.171 6.397 502 HD23 LEU 66 3HD2 LEU 66 -8.292 -1.687 6.503 503 H PHE 67 HN PHE 67 -6.848 -6.052 5.945 504 HA PHE 67 HA PHE 67 -4.110 -6.844 5.861 505 HB2 PHE 67 2HB PHE 67 -5.971 -8.249 6.779 506 HB3 PHE 67 3HB PHE 67 -6.810 -8.183 5.242 507 HD1 PHE 67 HD1 PHE 67 -6.475 -9.861 3.663 508 HD2 PHE 67 HD2 PHE 67 -3.636 -9.373 6.779 509 HE1 PHE 67 HE1 PHE 67 -5.321 -11.970 2.942 510 HE2 PHE 67 HE2 PHE 67 -2.482 -11.482 6.058 511 HZ PHE 67 HZ PHE 67 -3.338 -12.755 4.148 512 H LEU 68 HN LEU 68 -5.895 -5.166 3.643 513 HA LEU 68 HA LEU 68 -4.613 -6.564 1.399 514 HB2 LEU 68 2HB LEU 68 -7.161 -4.945 1.340 515 HB3 LEU 68 3HB LEU 68 -6.416 -5.771 -0.013 516 HG LEU 68 HG LEU 68 -7.746 -7.007 2.404 517 HD11 LEU 68 1HD1 LEU 68 -8.650 -6.290 -0.199 518 HD12 LEU 68 2HD1 LEU 68 -8.631 -8.067 -0.090 519 HD13 LEU 68 3HD1 LEU 68 -9.538 -7.111 1.106 520 HD21 LEU 68 1HD2 LEU 68 -7.194 -9.203 1.142 521 HD22 LEU 68 2HD2 LEU 68 -5.888 -8.253 0.394 522 HD23 LEU 68 3HD2 LEU 68 -5.946 -8.449 2.163 523 H GLN 69 HN GLN 69 -4.553 -3.876 3.444 524 HA GLN 69 HA GLN 69 -3.763 -2.041 1.376 525 HB2 GLN 69 2HB GLN 69 -4.148 -1.817 4.379 526 HB3 GLN 69 3HB GLN 69 -3.377 -0.532 3.471 527 HG2 GLN 69 2HG GLN 69 -5.393 -0.429 1.958 528 HG3 GLN 69 3HG GLN 69 -6.166 -1.659 2.938 529 HE21 GLN 69 1HE2 GLN 69 -7.707 0.263 2.929 530 HE22 GLN 69 2HE2 GLN 69 -7.602 1.361 4.265 531 H ASN 70 HN ASN 70 -2.305 -4.626 2.785 532 HA ASN 70 HA ASN 70 0.158 -3.375 3.496 533 HB2 ASN 70 2HB ASN 70 0.915 -5.650 3.998 534 HB3 ASN 70 3HB ASN 70 -0.723 -5.486 4.600 535 HD21 ASN 70 1HD2 ASN 70 -2.461 -6.397 3.451 536 HD22 ASN 70 2HD2 ASN 70 -2.245 -7.717 2.350 537 H PHE 71 HN PHE 71 -1.202 -5.497 0.886 538 HA PHE 71 HA PHE 71 1.267 -5.480 -0.575 539 HB2 PHE 71 2HB PHE 71 -1.605 -6.313 -1.304 540 HB3 PHE 71 3HB PHE 71 -0.169 -6.792 -2.187 541 HD1 PHE 71 HD1 PHE 71 1.686 -7.934 -0.571 542 HD2 PHE 71 HD2 PHE 71 -2.502 -7.886 0.111 543 HE1 PHE 71 HE1 PHE 71 1.899 -9.971 0.880 544 HE2 PHE 71 HE2 PHE 71 -2.289 -9.923 1.562 545 HZ PHE 71 HZ PHE 71 -0.091 -10.942 1.929 546 H LYS 72 HN LYS 72 -0.824 -3.041 0.009 547 HA LYS 72 HA LYS 72 -0.001 -1.482 -2.113 548 HB2 LYS 72 2HB LYS 72 -1.796 -3.281 -3.110 549 HB3 LYS 72 3HB LYS 72 -2.867 -1.964 -2.674 550 HG2 LYS 72 2HG LYS 72 -0.921 -0.500 -3.861 551 HG3 LYS 72 3HG LYS 72 -0.640 -2.014 -4.698 552 HD2 LYS 72 2HD LYS 72 -3.477 -0.995 -4.474 553 HD3 LYS 72 3HD LYS 72 -2.404 -0.232 -5.630 554 HE2 LYS 72 2HE LYS 72 -1.974 -2.377 -6.745 555 HE3 LYS 72 3HE LYS 72 -2.851 -3.250 -5.504 556 HZ1 LYS 72 1HZ LYS 72 -3.927 -2.150 -7.804 557 HZ2 LYS 72 2HZ LYS 72 -4.763 -2.816 -6.575 558 H ALA 73 HN ALA 73 -1.037 0.690 -2.050 559 HA ALA 73 HA ALA 73 -2.232 1.108 0.599 560 HB1 ALA 73 1HB ALA 73 0.065 2.166 -0.448 561 HB2 ALA 73 2HB ALA 73 -1.122 3.410 -0.909 562 HB3 ALA 73 3HB ALA 73 -0.924 2.958 0.802 563 H GLY 74 HN GLY 74 -3.604 0.230 -1.954 564 HA2 GLY 74 1HA GLY 74 -5.575 2.412 -2.004 565 HA3 GLY 74 2HA GLY 74 -4.906 1.828 -3.515 566 H ALA 75 HN ALA 75 -5.045 -0.611 -1.048 567 HA ALA 75 HA ALA 75 -7.170 -1.930 -2.510 568 HB1 ALA 75 1HB ALA 75 -4.813 -2.750 -1.276 569 HB2 ALA 75 2HB ALA 75 -6.078 -3.279 -0.141 570 HB3 ALA 75 3HB ALA 75 -6.124 -3.815 -1.838 571 H ARG 76 HN ARG 76 -9.195 -2.493 -1.647 572 HA ARG 76 HA ARG 76 -10.246 -0.705 0.158 573 HB2 ARG 76 2HB ARG 76 -12.265 -2.148 0.098 574 HB3 ARG 76 3HB ARG 76 -11.595 -1.968 -1.511 575 HG2 ARG 76 2HG ARG 76 -10.783 -4.174 -1.580 576 HG3 ARG 76 3HG ARG 76 -10.655 -4.297 0.164 577 HD2 ARG 76 2HD ARG 76 -13.157 -4.334 0.342 578 HD3 ARG 76 3HD ARG 76 -13.281 -4.218 -1.402 579 HE ARG 76 HE ARG 76 -11.666 -6.414 -1.109 580 HH11 ARG 76 HH1 ARG 76 -13.826 -8.956 -0.143 581 HH21 ARG 76 1HH2 ARG 76 -15.265 -7.184 0.589 582 HH22 ARG 76 2HH2 ARG 76 -14.756 -5.541 0.388 583 H ALA 77 HN ALA 77 -11.788 -2.036 2.053 584 HA ALA 77 HA ALA 77 -9.827 -3.531 3.647 585 HB1 ALA 77 1HB ALA 77 -9.970 -1.162 4.396 586 HB2 ALA 77 2HB ALA 77 -11.722 -1.363 4.638 587 HB3 ALA 77 3HB ALA 77 -10.574 -2.296 5.627 588 H LEU 78 HN LEU 78 -10.593 -5.468 4.351 589 HA LEU 78 HA LEU 78 -12.944 -6.532 3.500 590 HB2 LEU 78 2HB LEU 78 -11.380 -7.186 6.001 591 HB3 LEU 78 3HB LEU 78 -12.627 -8.202 5.306 592 HG LEU 78 HG LEU 78 -10.729 -9.201 4.492 593 HD11 LEU 78 1HD1 LEU 78 -11.357 -7.124 2.377 594 HD12 LEU 78 2HD1 LEU 78 -10.467 -8.643 2.111 595 HD13 LEU 78 3HD1 LEU 78 -12.176 -8.687 2.608 596 HD21 LEU 78 1HD2 LEU 78 -9.356 -7.115 5.388 597 HD22 LEU 78 2HD2 LEU 78 -8.655 -8.286 4.246 598 HD23 LEU 78 3HD2 LEU 78 -9.283 -6.730 3.652 599 H SER 79 HN SER 79 -15.041 -6.857 4.375 600 HA SER 79 HA SER 79 -16.023 -4.633 5.730 601 HB2 SER 79 2HB SER 79 -17.342 -6.045 4.147 602 HB3 SER 79 3HB SER 79 -17.310 -7.366 5.298 603 HG SER 79 HG SER 79 -18.391 -4.762 5.943 604 H ASP 80 HN ASP 80 -16.988 -4.502 7.892 605 HA ASP 80 HA ASP 80 -15.479 -5.257 9.911 606 HB2 ASP 80 2HB ASP 80 -17.885 -4.014 9.701 607 HB3 ASP 80 3HB ASP 80 -18.438 -5.528 10.389 608 HD2 ASP 80 HD2 ASP 80 -16.534 -2.611 11.586 609 H ALA 81 HN ALA 81 -17.795 -7.265 8.102 610 HA ALA 81 HA ALA 81 -17.780 -9.394 10.038 611 HB1 ALA 81 1HB ALA 81 -18.737 -9.685 7.200 612 HB2 ALA 81 2HB ALA 81 -19.428 -10.339 8.704 613 HB3 ALA 81 3HB ALA 81 -19.630 -8.616 8.307 614 H GLU 82 HN GLU 82 -16.594 -8.929 6.630 615 HA GLU 82 HA GLU 82 -15.335 -11.297 6.354 616 HB2 GLU 82 2HB GLU 82 -14.612 -8.533 5.314 617 HB3 GLU 82 3HB GLU 82 -13.729 -9.963 4.816 618 HG2 GLU 82 2HG GLU 82 -15.507 -10.817 3.588 619 HG3 GLU 82 3HG GLU 82 -16.718 -10.148 4.664 620 HE2 GLU 82 HE2 GLU 82 -14.841 -7.436 2.477 621 H THR 83 HN THR 83 -14.445 -8.583 8.410 622 HA THR 83 HA THR 83 -11.735 -9.564 8.780 623 HB THR 83 HB THR 83 -13.364 -7.186 9.796 624 HG1 THR 83 HG1 THR 83 -12.518 -6.791 7.744 625 HG21 THR 83 1HG2 THR 83 -11.822 -6.877 11.452 626 HG22 THR 83 2HG2 THR 83 -10.988 -8.378 10.984 627 HG23 THR 83 3HG2 THR 83 -10.549 -6.837 10.208 628 H LYS 84 HN LYS 84 -14.924 -9.762 10.293 629 HA LYS 84 HA LYS 84 -14.116 -10.433 12.863 630 HB2 LYS 84 2HB LYS 84 -16.563 -10.700 11.213 631 HB3 LYS 84 3HB LYS 84 -16.437 -11.821 12.553 632 HG2 LYS 84 2HG LYS 84 -16.044 -9.942 14.127 633 HG3 LYS 84 3HG LYS 84 -16.072 -8.797 12.801 634 HD2 LYS 84 2HD LYS 84 -18.428 -9.368 12.305 635 HD3 LYS 84 3HD LYS 84 -18.415 -10.617 13.534 636 HE2 LYS 84 2HE LYS 84 -19.363 -8.872 14.754 637 HE3 LYS 84 3HE LYS 84 -17.672 -8.616 15.138 638 HZ1 LYS 84 1HZ LYS 84 -19.398 -6.864 13.782 639 HZ2 LYS 84 2HZ LYS 84 -17.841 -6.605 14.186 640 H ALA 85 HN ALA 85 -14.727 -12.513 9.961 641 HA ALA 85 HA ALA 85 -14.039 -14.897 11.329 642 HB1 ALA 85 1HB ALA 85 -13.796 -15.594 8.763 643 HB2 ALA 85 2HB ALA 85 -15.389 -15.297 9.499 644 HB3 ALA 85 3HB ALA 85 -14.615 -14.034 8.513 645 H PHE 86 HN PHE 86 -12.227 -12.230 10.080 646 HA PHE 86 HA PHE 86 -9.880 -13.798 9.504 647 HB2 PHE 86 2HB PHE 86 -10.909 -11.415 8.618 648 HB3 PHE 86 3HB PHE 86 -9.927 -10.792 9.929 649 HD1 PHE 86 HD1 PHE 86 -7.933 -13.314 9.331 650 HD2 PHE 86 HD2 PHE 86 -9.442 -10.001 7.151 651 HE1 PHE 86 HE1 PHE 86 -5.911 -13.371 7.845 652 HE2 PHE 86 HE2 PHE 86 -7.420 -10.058 5.665 653 HZ PHE 86 HZ PHE 86 -5.679 -11.742 6.030 654 H LEU 87 HN LEU 87 -11.376 -12.260 12.259 655 HA LEU 87 HA LEU 87 -8.879 -11.901 13.659 656 HB2 LEU 87 2HB LEU 87 -10.694 -10.303 13.920 657 HB3 LEU 87 3HB LEU 87 -11.759 -11.564 14.507 658 HG LEU 87 HG LEU 87 -10.222 -11.887 16.459 659 HD11 LEU 87 1HD1 LEU 87 -8.284 -10.801 16.728 660 HD12 LEU 87 2HD1 LEU 87 -8.392 -10.483 14.980 661 HD13 LEU 87 3HD1 LEU 87 -8.952 -9.258 16.144 662 HD21 LEU 87 1HD2 LEU 87 -12.118 -10.688 17.006 663 HD22 LEU 87 2HD2 LEU 87 -10.821 -9.567 17.485 664 HD23 LEU 87 3HD2 LEU 87 -11.691 -9.318 15.952 665 H LYS 88 HN LYS 88 -11.915 -13.786 14.347 666 HA LYS 88 HA LYS 88 -10.724 -15.419 16.249 667 HB2 LYS 88 2HB LYS 88 -13.232 -15.433 14.647 668 HB3 LYS 88 3HB LYS 88 -12.753 -16.959 15.361 669 HG2 LYS 88 2HG LYS 88 -12.656 -15.960 17.598 670 HG3 LYS 88 3HG LYS 88 -12.903 -14.353 16.944 671 HD2 LYS 88 2HD LYS 88 -15.165 -15.019 16.129 672 HD3 LYS 88 3HD LYS 88 -14.918 -16.642 16.743 673 HE2 LYS 88 2HE LYS 88 -16.139 -15.626 18.488 674 HE3 LYS 88 3HE LYS 88 -14.488 -15.483 19.058 675 HZ1 LYS 88 1HZ LYS 88 -14.672 -13.257 18.983 676 HZ2 LYS 88 2HZ LYS 88 -15.157 -13.252 17.429 677 H ALA 89 HN ALA 89 -10.359 -15.317 12.799 678 HA ALA 89 HA ALA 89 -9.836 -18.030 12.320 679 HB1 ALA 89 1HB ALA 89 -10.116 -16.941 10.337 680 HB2 ALA 89 2HB ALA 89 -9.457 -15.411 10.965 681 HB3 ALA 89 3HB ALA 89 -8.354 -16.709 10.449 682 H GLY 90 HN GLY 90 -7.471 -15.274 12.577 683 HA2 GLY 90 1HA GLY 90 -5.352 -17.164 13.195 684 HA3 GLY 90 2HA GLY 90 -5.207 -15.440 12.918 685 H ASP 91 HN ASP 91 -6.997 -14.309 14.735 686 HA ASP 91 HA ASP 91 -5.518 -14.359 17.046 687 HB2 ASP 91 2HB ASP 91 -7.287 -12.647 16.139 688 HB3 ASP 91 3HB ASP 91 -8.473 -13.644 16.958 689 HD2 ASP 91 HD2 ASP 91 -9.008 -12.235 18.455 690 H SER 92 HN SER 92 -5.326 -16.658 17.667 691 HA SER 92 HA SER 92 -7.644 -18.187 18.124 692 HB2 SER 92 2HB SER 92 -4.754 -18.550 18.197 693 HB3 SER 92 3HB SER 92 -5.481 -19.289 19.610 694 HG SER 92 HG SER 92 -5.304 -20.524 17.417 695 H ASP 93 HN ASP 93 -5.233 -16.683 20.247 696 HA ASP 93 HA ASP 93 -6.445 -17.267 22.757 697 HB2 ASP 93 2HB ASP 93 -5.074 -15.177 23.405 698 HB3 ASP 93 3HB ASP 93 -4.188 -16.506 22.661 699 H GLY 94 HN GLY 94 -7.323 -14.905 20.221 700 HA2 GLY 94 1HA GLY 94 -8.855 -13.254 20.171 701 HA3 GLY 94 2HA GLY 94 -9.803 -14.316 21.193 702 H ASP 95 HN ASP 95 -7.060 -11.942 21.382 703 HA ASP 95 HA ASP 95 -7.910 -11.355 24.087 704 HB2 ASP 95 2HB ASP 95 -5.511 -10.188 22.620 705 HB3 ASP 95 3HB ASP 95 -5.768 -10.261 24.352 706 HD2 ASP 95 HD2 ASP 95 -5.682 -13.356 24.781 707 H GLY 96 HN GLY 96 -8.088 -10.253 20.792 708 HA2 GLY 96 1HA GLY 96 -9.769 -8.482 20.471 709 HA3 GLY 96 2HA GLY 96 -8.909 -7.551 21.682 710 H LYS 97 HN LYS 97 -6.637 -9.384 19.932 711 HA LYS 97 HA LYS 97 -6.407 -7.533 17.730 712 HB2 LYS 97 2HB LYS 97 -3.985 -7.737 19.486 713 HB3 LYS 97 3HB LYS 97 -4.410 -6.513 18.306 714 HG2 LYS 97 2HG LYS 97 -6.200 -5.654 19.782 715 HG3 LYS 97 3HG LYS 97 -5.903 -6.937 20.938 716 HD2 LYS 97 2HD LYS 97 -3.706 -4.994 20.118 717 HD3 LYS 97 3HD LYS 97 -4.826 -4.616 21.412 718 HE2 LYS 97 2HE LYS 97 -3.487 -7.310 21.511 719 HE3 LYS 97 3HE LYS 97 -2.486 -5.912 21.849 720 HZ1 LYS 97 1HZ LYS 97 -4.682 -6.987 23.416 721 HZ2 LYS 97 2HZ LYS 97 -3.352 -6.194 23.921 722 H ILE 98 HN ILE 98 -4.076 -8.185 16.614 723 HA ILE 98 HA ILE 98 -3.858 -11.097 16.771 724 HB ILE 98 HB ILE 98 -4.710 -9.457 14.439 725 HG12 ILE 98 2HG1 ILE 98 -5.427 -12.105 15.676 726 HG13 ILE 98 3HG1 ILE 98 -6.446 -10.710 15.380 727 HG21 ILE 98 1HG2 ILE 98 -2.552 -10.307 13.693 728 HG22 ILE 98 2HG2 ILE 98 -3.014 -11.956 14.179 729 HG23 ILE 98 3HG2 ILE 98 -3.884 -11.141 12.857 730 HD11 ILE 98 1HD1 ILE 98 -5.252 -12.545 13.252 731 HD12 ILE 98 2HD1 ILE 98 -6.962 -12.458 13.739 732 HD13 ILE 98 3HD1 ILE 98 -6.203 -11.081 12.905 733 H GLY 99 HN GLY 99 -1.806 -11.358 17.493 734 HA2 GLY 99 1HA GLY 99 0.247 -9.444 16.769 735 HA3 GLY 99 2HA GLY 99 0.386 -10.809 17.859 736 H ILE 100 HN ILE 100 2.482 -11.189 16.702 737 HA ILE 100 HA ILE 100 2.323 -12.020 13.963 738 HB ILE 100 HB ILE 100 4.251 -10.855 15.247 739 HG12 ILE 100 2HG1 ILE 100 4.371 -11.418 12.902 740 HG13 ILE 100 3HG1 ILE 100 5.887 -11.825 13.679 741 HG21 ILE 100 1HG2 ILE 100 5.967 -12.409 16.086 742 HG22 ILE 100 2HG2 ILE 100 4.476 -12.456 17.056 743 HG23 ILE 100 3HG2 ILE 100 4.823 -13.759 15.895 744 HD11 ILE 100 1HD1 ILE 100 3.651 -13.740 12.890 745 HD12 ILE 100 2HD1 ILE 100 5.310 -13.683 12.248 746 HD13 ILE 100 3HD1 ILE 100 5.022 -14.219 13.921 747 H ASP 101 HN ASP 101 2.921 -13.624 17.163 748 HA ASP 101 HA ASP 101 3.229 -16.150 16.264 749 HB2 ASP 101 2HB ASP 101 1.856 -16.649 18.546 750 HB3 ASP 101 3HB ASP 101 3.514 -16.082 18.546 751 HD2 ASP 101 HD2 ASP 101 3.113 -13.326 20.043 752 H GLU 102 HN GLU 102 0.321 -14.127 16.455 753 HA GLU 102 HA GLU 102 -1.423 -16.382 16.094 754 HB2 GLU 102 2HB GLU 102 -1.958 -13.386 16.267 755 HB3 GLU 102 3HB GLU 102 -3.218 -14.589 16.078 756 HG2 GLU 102 2HG GLU 102 -2.824 -15.533 18.227 757 HG3 GLU 102 3HG GLU 102 -1.211 -14.857 18.337 758 H PHE 103 HN PHE 103 -0.255 -13.482 14.281 759 HA PHE 103 HA PHE 103 -1.804 -13.844 12.012 760 HB2 PHE 103 2HB PHE 103 -0.521 -11.801 12.416 761 HB3 PHE 103 3HB PHE 103 0.965 -12.699 12.649 762 HD1 PHE 103 HD1 PHE 103 2.461 -12.932 10.883 763 HD2 PHE 103 HD2 PHE 103 -1.566 -11.895 10.039 764 HE1 PHE 103 HE1 PHE 103 3.061 -12.562 8.474 765 HE2 PHE 103 HE2 PHE 103 -0.966 -11.525 7.630 766 HZ PHE 103 HZ PHE 103 1.340 -11.863 6.876 767 H ALA 104 HN ALA 104 1.128 -15.501 13.142 768 HA ALA 104 HA ALA 104 1.590 -16.683 10.541 769 HB1 ALA 104 1HB ALA 104 3.600 -17.470 11.475 770 HB2 ALA 104 2HB ALA 104 3.350 -15.915 12.304 771 HB3 ALA 104 3HB ALA 104 2.954 -17.439 13.133 772 H ALA 105 HN ALA 105 -0.555 -17.146 13.114 773 HA ALA 105 HA ALA 105 -0.483 -20.024 13.095 774 HB1 ALA 105 1HB ALA 105 -1.219 -18.166 14.939 775 HB2 ALA 105 2HB ALA 105 -2.807 -18.550 14.232 776 HB3 ALA 105 3HB ALA 105 -1.812 -19.844 14.943 777 H MET 106 HN MET 106 -2.801 -17.422 12.058 778 HA MET 106 HA MET 106 -4.662 -19.054 10.941 779 HB2 MET 106 2HB MET 106 -5.176 -17.008 9.491 780 HB3 MET 106 3HB MET 106 -5.019 -16.644 11.198 781 HG2 MET 106 2HG MET 106 -2.453 -16.234 10.564 782 HG3 MET 106 3HG MET 106 -3.094 -16.029 8.946 783 HE1 MET 106 1HE MET 106 -5.705 -14.982 9.044 784 HE2 MET 106 2HE MET 106 -6.154 -14.932 10.765 785 HE3 MET 106 3HE MET 106 -6.003 -13.419 9.841 786 H ILE 107 HN ILE 107 -1.412 -18.363 9.831 787 HA ILE 107 HA ILE 107 -2.040 -19.343 7.156 788 HB ILE 107 HB ILE 107 0.388 -18.720 6.764 789 HG12 ILE 107 2HG1 ILE 107 0.057 -17.220 9.376 790 HG13 ILE 107 3HG1 ILE 107 0.980 -18.700 9.210 791 HG21 ILE 107 1HG2 ILE 107 -0.189 -16.238 6.718 792 HG22 ILE 107 2HG2 ILE 107 -1.273 -17.339 5.833 793 HG23 ILE 107 3HG2 ILE 107 -1.757 -16.700 7.422 794 HD11 ILE 107 1HD1 ILE 107 2.757 -17.464 8.553 795 HD12 ILE 107 2HD1 ILE 107 1.854 -17.011 7.088 796 HD13 ILE 107 3HD1 ILE 107 1.764 -15.987 8.542 797 H LYS 108 HN LYS 108 -0.065 -20.064 10.086 798 HA LYS 108 HA LYS 108 1.134 -22.365 9.011 799 HB2 LYS 108 2HB LYS 108 2.111 -21.221 10.889 800 HB3 LYS 108 3HB LYS 108 0.664 -21.432 11.854 801 HG2 LYS 108 2HG LYS 108 1.136 -23.639 12.340 802 HG3 LYS 108 3HG LYS 108 1.803 -23.960 10.752 803 HD2 LYS 108 2HD LYS 108 3.753 -22.324 11.601 804 HD3 LYS 108 3HD LYS 108 3.165 -22.796 13.183 805 HE2 LYS 108 2HE LYS 108 3.352 -25.248 12.371 806 HE3 LYS 108 3HE LYS 108 4.228 -24.625 10.987 807 HZ1 LYS 108 1HZ LYS 108 6.010 -24.032 12.300 808 HZ2 LYS 108 2HZ LYS 108 5.126 -23.765 13.641 809 H GLY 109 HN GLY 109 -2.102 -21.661 10.023 810 HA2 GLY 109 1HA GLY 109 -2.689 -24.529 10.385 811 HA3 GLY 109 2HA GLY 109 -3.667 -23.192 10.955 Start of MODEL 17 1 H SER 0 HN SER 0 4.337 2.374 -2.255 2 HA SER 0 HA SER 0 3.791 1.384 0.063 3 HB2 SER 0 2HB SER 0 1.488 0.664 -0.867 4 HB3 SER 0 3HB SER 0 1.984 2.322 -1.146 5 HG SER 0 HG SER 0 1.187 0.645 -2.994 6 H MET 1 HN MET 1 2.987 -0.787 -2.741 7 HA MET 1 HA MET 1 2.727 -3.071 -1.390 8 HB2 MET 1 2HB MET 1 3.746 -4.108 -3.625 9 HB3 MET 1 3HB MET 1 2.260 -3.182 -3.711 10 HG2 MET 1 2HG MET 1 3.305 -1.320 -4.689 11 HG3 MET 1 3HG MET 1 4.863 -1.676 -3.970 12 HE1 MET 1 1HE MET 1 2.197 -3.355 -6.465 13 HE2 MET 1 2HE MET 1 2.727 -1.724 -6.941 14 HE3 MET 1 3HE MET 1 3.187 -3.133 -7.927 15 H ALA 2 HN ALA 2 4.117 -3.512 0.346 16 HA ALA 2 HA ALA 2 6.959 -3.379 -0.030 17 HB1 ALA 2 1HB ALA 2 7.019 -4.077 2.317 18 HB2 ALA 2 2HB ALA 2 5.821 -2.779 2.100 19 HB3 ALA 2 3HB ALA 2 5.283 -4.467 2.268 20 H PHE 3 HN PHE 3 4.418 -5.927 0.323 21 HA PHE 3 HA PHE 3 6.047 -8.124 0.406 22 HB2 PHE 3 2HB PHE 3 3.289 -7.385 -0.599 23 HB3 PHE 3 3HB PHE 3 3.887 -8.954 -1.099 24 HD1 PHE 3 HD1 PHE 3 4.759 -10.508 0.800 25 HD2 PHE 3 HD2 PHE 3 2.235 -7.162 1.460 26 HE1 PHE 3 HE1 PHE 3 4.041 -11.484 2.998 27 HE2 PHE 3 HE2 PHE 3 1.516 -8.138 3.658 28 HZ PHE 3 HZ PHE 3 2.428 -10.287 4.401 29 H ALA 4 HN ALA 4 5.564 -5.873 -2.216 30 HA ALA 4 HA ALA 4 5.886 -7.469 -4.432 31 HB1 ALA 4 1HB ALA 4 6.718 -4.634 -3.754 32 HB2 ALA 4 2HB ALA 4 6.991 -5.331 -5.369 33 HB3 ALA 4 3HB ALA 4 5.336 -5.184 -4.731 34 H SER 5 HN SER 5 8.107 -6.779 -1.824 35 HA SER 5 HA SER 5 10.339 -7.633 -3.461 36 HB2 SER 5 2HB SER 5 10.707 -5.636 -2.088 37 HB3 SER 5 3HB SER 5 10.196 -6.483 -0.641 38 HG SER 5 HG SER 5 12.665 -6.267 -1.461 39 H VAL 6 HN VAL 6 8.509 -8.438 -0.447 40 HA VAL 6 HA VAL 6 10.039 -10.689 0.223 41 HB VAL 6 HB VAL 6 7.119 -10.277 0.844 42 HG11 VAL 6 1HG1 VAL 6 7.428 -11.690 2.605 43 HG12 VAL 6 2HG1 VAL 6 8.715 -12.320 1.549 44 HG13 VAL 6 3HG1 VAL 6 9.116 -11.186 2.861 45 HG21 VAL 6 1HG2 VAL 6 9.498 -8.697 1.768 46 HG22 VAL 6 2HG2 VAL 6 7.842 -8.158 1.399 47 HG23 VAL 6 3HG2 VAL 6 8.177 -9.028 2.915 48 H LEU 7 HN LEU 7 6.727 -10.508 -1.277 49 HA LEU 7 HA LEU 7 7.296 -13.134 -2.453 50 HB2 LEU 7 2HB LEU 7 4.600 -11.830 -2.113 51 HB3 LEU 7 3HB LEU 7 4.948 -13.496 -2.530 52 HG LEU 7 HG LEU 7 5.964 -12.476 0.090 53 HD11 LEU 7 1HD1 LEU 7 3.404 -11.861 -0.462 54 HD12 LEU 7 2HD1 LEU 7 3.190 -13.529 0.123 55 HD13 LEU 7 3HD1 LEU 7 3.979 -12.315 1.160 56 HD21 LEU 7 1HD2 LEU 7 6.361 -14.805 -0.894 57 HD22 LEU 7 2HD2 LEU 7 5.778 -14.707 0.785 58 HD23 LEU 7 3HD2 LEU 7 4.648 -15.119 -0.527 59 H LYS 8 HN LYS 8 5.655 -13.270 -4.584 60 HA LYS 8 HA LYS 8 6.867 -11.329 -6.351 61 HB2 LYS 8 2HB LYS 8 5.030 -13.592 -7.141 62 HB3 LYS 8 3HB LYS 8 6.247 -12.784 -8.109 63 HG2 LYS 8 2HG LYS 8 6.840 -14.475 -5.633 64 HG3 LYS 8 3HG LYS 8 6.990 -15.041 -7.285 65 HD2 LYS 8 2HD LYS 8 8.468 -12.560 -6.325 66 HD3 LYS 8 3HD LYS 8 9.140 -14.163 -6.100 67 HE2 LYS 8 2HE LYS 8 10.072 -13.518 -8.168 68 HE3 LYS 8 3HE LYS 8 8.698 -14.484 -8.668 69 HZ1 LYS 8 1HZ LYS 8 7.751 -12.678 -9.596 70 HZ2 LYS 8 2HZ LYS 8 7.971 -11.741 -8.282 71 H ASP 9 HN ASP 9 5.866 -9.569 -7.207 72 HA ASP 9 HA ASP 9 3.561 -8.627 -6.120 73 HB2 ASP 9 2HB ASP 9 5.153 -8.049 -8.602 74 HB3 ASP 9 3HB ASP 9 3.540 -7.367 -8.539 75 HD2 ASP 9 HD2 ASP 9 6.622 -7.283 -6.941 76 H ALA 10 HN ALA 10 4.143 -10.768 -8.925 77 HA ALA 10 HA ALA 10 1.487 -10.552 -9.955 78 HB1 ALA 10 1HB ALA 10 3.851 -11.266 -11.026 79 HB2 ALA 10 2HB ALA 10 3.251 -12.884 -10.589 80 HB3 ALA 10 3HB ALA 10 2.297 -11.844 -11.674 81 H GLU 11 HN GLU 11 3.121 -12.353 -7.425 82 HA GLU 11 HA GLU 11 1.219 -14.466 -7.423 83 HB2 GLU 11 2HB GLU 11 3.546 -13.647 -5.679 84 HB3 GLU 11 3HB GLU 11 2.405 -14.830 -5.070 85 HG2 GLU 11 2HG GLU 11 2.790 -16.282 -7.027 86 HG3 GLU 11 3HG GLU 11 3.818 -15.070 -7.767 87 HE2 GLU 11 HE2 GLU 11 5.182 -17.688 -6.879 88 H VAL 12 HN VAL 12 1.951 -11.601 -5.317 89 HA VAL 12 HA VAL 12 -0.252 -12.059 -3.609 90 HB VAL 12 HB VAL 12 0.296 -9.920 -2.686 91 HG11 VAL 12 1HG1 VAL 12 2.886 -10.195 -2.528 92 HG12 VAL 12 2HG1 VAL 12 1.830 -11.482 -1.897 93 HG13 VAL 12 3HG1 VAL 12 2.613 -11.671 -3.484 94 HG21 VAL 12 1HG2 VAL 12 0.514 -8.515 -4.593 95 HG22 VAL 12 2HG2 VAL 12 2.097 -8.502 -3.779 96 HG23 VAL 12 3HG2 VAL 12 1.858 -9.483 -5.245 97 H THR 13 HN THR 13 0.241 -10.351 -6.696 98 HA THR 13 HA THR 13 -2.008 -8.730 -6.681 99 HB THR 13 HB THR 13 -0.290 -10.092 -8.782 100 HG1 THR 13 HG1 THR 13 0.520 -8.010 -8.699 101 HG21 THR 13 1HG2 THR 13 -2.390 -9.976 -9.984 102 HG22 THR 13 2HG2 THR 13 -2.819 -8.431 -9.212 103 HG23 THR 13 3HG2 THR 13 -1.508 -8.492 -10.414 104 H ALA 14 HN ALA 14 -1.685 -12.156 -7.807 105 HA ALA 14 HA ALA 14 -4.358 -12.394 -8.584 106 HB1 ALA 14 1HB ALA 14 -2.202 -13.883 -8.964 107 HB2 ALA 14 2HB ALA 14 -2.780 -14.718 -7.501 108 HB3 ALA 14 3HB ALA 14 -3.820 -14.625 -8.943 109 H ALA 15 HN ALA 15 -2.845 -12.172 -5.455 110 HA ALA 15 HA ALA 15 -5.008 -13.548 -4.113 111 HB1 ALA 15 1HB ALA 15 -2.813 -11.920 -2.813 112 HB2 ALA 15 2HB ALA 15 -3.676 -13.343 -2.182 113 HB3 ALA 15 3HB ALA 15 -2.482 -13.533 -3.489 114 H LEU 16 HN LEU 16 -3.991 -10.284 -5.046 115 HA LEU 16 HA LEU 16 -5.734 -8.974 -3.205 116 HB2 LEU 16 2HB LEU 16 -3.881 -8.213 -5.393 117 HB3 LEU 16 3HB LEU 16 -5.186 -7.096 -5.046 118 HG LEU 16 HG LEU 16 -3.322 -8.122 -2.898 119 HD11 LEU 16 1HD1 LEU 16 -2.713 -5.424 -3.607 120 HD12 LEU 16 2HD1 LEU 16 -1.661 -6.859 -3.643 121 HD13 LEU 16 3HD1 LEU 16 -2.629 -6.429 -5.074 122 HD21 LEU 16 1HD2 LEU 16 -4.742 -7.068 -1.557 123 HD22 LEU 16 2HD2 LEU 16 -4.234 -5.539 -2.313 124 HD23 LEU 16 3HD2 LEU 16 -5.654 -6.412 -2.938 125 H ASP 17 HN ASP 17 -5.912 -10.237 -6.535 126 HA ASP 17 HA ASP 17 -8.399 -8.919 -6.995 127 HB2 ASP 17 2HB ASP 17 -6.496 -9.744 -8.684 128 HB3 ASP 17 3HB ASP 17 -7.387 -11.252 -8.635 129 HD2 ASP 17 HD2 ASP 17 -8.132 -7.819 -9.934 130 H GLY 18 HN GLY 18 -7.193 -11.873 -5.562 131 HA2 GLY 18 1HA GLY 18 -9.344 -13.626 -6.105 132 HA3 GLY 18 2HA GLY 18 -8.163 -13.763 -4.817 133 H CYS 19 HN CYS 19 -9.235 -10.712 -4.302 134 HA CYS 19 HA CYS 19 -11.659 -11.534 -2.905 135 HB2 CYS 19 2HB CYS 19 -9.630 -9.776 -1.525 136 HB3 CYS 19 3HB CYS 19 -11.011 -10.607 -0.836 137 HG CYS 19 HG CYS 19 -8.019 -11.567 -1.564 138 H LYS 20 HN LYS 20 -11.020 -10.078 -5.455 139 HA LYS 20 HA LYS 20 -11.111 -7.332 -5.147 140 HB2 LYS 20 2HB LYS 20 -11.961 -7.324 -7.468 141 HB3 LYS 20 3HB LYS 20 -10.568 -8.365 -7.254 142 HG2 LYS 20 2HG LYS 20 -12.483 -10.211 -6.784 143 HG3 LYS 20 3HG LYS 20 -13.442 -9.115 -7.758 144 HD2 LYS 20 2HD LYS 20 -10.695 -9.849 -8.766 145 HD3 LYS 20 3HD LYS 20 -11.952 -11.066 -8.867 146 HE2 LYS 20 2HE LYS 20 -13.377 -9.598 -10.202 147 HE3 LYS 20 3HE LYS 20 -12.320 -8.228 -9.927 148 HZ1 LYS 20 1HZ LYS 20 -11.900 -10.520 -11.698 149 HZ2 LYS 20 2HZ LYS 20 -11.548 -8.951 -11.954 150 H ALA 21 HN ALA 21 -13.772 -9.770 -5.289 151 HA ALA 21 HA ALA 21 -15.817 -7.815 -5.134 152 HB1 ALA 21 1HB ALA 21 -17.138 -9.962 -4.444 153 HB2 ALA 21 2HB ALA 21 -16.448 -9.867 -6.082 154 HB3 ALA 21 3HB ALA 21 -15.623 -10.815 -4.822 155 H ALA 22 HN ALA 22 -17.526 -8.481 -3.123 156 HA ALA 22 HA ALA 22 -15.914 -7.978 -0.715 157 HB1 ALA 22 1HB ALA 22 -17.360 -6.312 -0.109 158 HB2 ALA 22 2HB ALA 22 -17.630 -6.226 -1.866 159 HB3 ALA 22 3HB ALA 22 -18.769 -7.123 -0.834 160 H GLY 23 HN GLY 23 -16.224 -9.322 1.030 161 HA2 GLY 23 1HA GLY 23 -17.325 -10.820 2.370 162 HA3 GLY 23 2HA GLY 23 -18.618 -10.955 1.195 163 H SER 24 HN SER 24 -16.206 -11.246 -0.896 164 HA SER 24 HA SER 24 -16.253 -14.110 -0.703 165 HB2 SER 24 2HB SER 24 -14.733 -12.701 -2.875 166 HB3 SER 24 3HB SER 24 -15.747 -14.127 -2.973 167 HG SER 24 HG SER 24 -16.464 -11.379 -3.088 168 H PHE 25 HN PHE 25 -14.343 -11.600 0.498 169 HA PHE 25 HA PHE 25 -11.753 -12.295 -0.034 170 HB2 PHE 25 2HB PHE 25 -12.424 -10.296 1.245 171 HB3 PHE 25 3HB PHE 25 -13.229 -11.274 2.456 172 HD1 PHE 25 HD1 PHE 25 -9.834 -10.732 1.005 173 HD2 PHE 25 HD2 PHE 25 -12.124 -11.725 4.437 174 HE1 PHE 25 HE1 PHE 25 -7.747 -10.722 2.400 175 HE2 PHE 25 HE2 PHE 25 -10.037 -11.716 5.832 176 HZ PHE 25 HZ PHE 25 -7.874 -11.214 4.797 177 H ASP 26 HN ASP 26 -10.477 -14.036 0.395 178 HA ASP 26 HA ASP 26 -11.328 -15.725 2.611 179 HB2 ASP 26 2HB ASP 26 -10.508 -16.470 -0.212 180 HB3 ASP 26 3HB ASP 26 -10.221 -17.602 1.095 181 HD2 ASP 26 HD2 ASP 26 -13.391 -18.823 0.708 182 H HIS 27 HN HIS 27 -9.651 -14.544 3.872 183 HA HIS 27 HA HIS 27 -7.134 -13.977 3.210 184 HB2 HIS 27 2HB HIS 27 -6.582 -14.576 5.656 185 HB3 HIS 27 3HB HIS 27 -7.781 -13.339 5.336 186 HD1 HIS 27 HD1 HIS 27 -10.315 -13.960 5.793 187 HD2 HIS 27 HD2 HIS 27 -7.532 -16.877 6.950 188 HE1 HIS 27 HE1 HIS 27 -11.570 -15.582 7.311 189 H LYS 28 HN LYS 28 -8.067 -17.163 4.708 190 HA LYS 28 HA LYS 28 -5.723 -18.453 4.541 191 HB2 LYS 28 2HB LYS 28 -7.035 -20.536 4.321 192 HB3 LYS 28 3HB LYS 28 -7.682 -19.446 5.531 193 HG2 LYS 28 2HG LYS 28 -9.202 -18.551 3.564 194 HG3 LYS 28 3HG LYS 28 -8.772 -20.049 2.763 195 HD2 LYS 28 2HD LYS 28 -9.465 -21.135 5.110 196 HD3 LYS 28 3HD LYS 28 -10.366 -19.643 5.299 197 HE2 LYS 28 2HE LYS 28 -11.826 -21.316 4.269 198 HE3 LYS 28 3HE LYS 28 -11.496 -20.060 3.093 199 HZ1 LYS 28 1HZ LYS 28 -9.770 -22.449 3.166 200 HZ2 LYS 28 2HZ LYS 28 -11.207 -22.526 2.402 201 H LYS 29 HN LYS 29 -8.135 -18.179 1.842 202 HA LYS 29 HA LYS 29 -6.652 -19.584 -0.024 203 HB2 LYS 29 2HB LYS 29 -8.750 -17.424 -0.252 204 HB3 LYS 29 3HB LYS 29 -8.023 -18.150 -1.670 205 HG2 LYS 29 2HG LYS 29 -9.296 -19.798 0.560 206 HG3 LYS 29 3HG LYS 29 -10.193 -19.244 -0.840 207 HD2 LYS 29 2HD LYS 29 -8.436 -20.397 -2.306 208 HD3 LYS 29 3HD LYS 29 -7.761 -21.088 -0.844 209 HE2 LYS 29 2HE LYS 29 -9.247 -22.769 -1.640 210 HE3 LYS 29 3HE LYS 29 -10.140 -21.994 -0.347 211 HZ1 LYS 29 1HZ LYS 29 -10.459 -21.391 -3.239 212 HZ2 LYS 29 2HZ LYS 29 -11.524 -22.210 -2.319 213 H PHE 30 HN PHE 30 -6.624 -16.081 0.853 214 HA PHE 30 HA PHE 30 -4.944 -15.186 -1.117 215 HB2 PHE 30 2HB PHE 30 -6.221 -14.145 1.043 216 HB3 PHE 30 3HB PHE 30 -4.648 -14.330 1.792 217 HD1 PHE 30 HD1 PHE 30 -6.692 -12.125 0.040 218 HD2 PHE 30 HD2 PHE 30 -2.641 -13.362 0.308 219 HE1 PHE 30 HE1 PHE 30 -5.959 -9.942 -0.958 220 HE2 PHE 30 HE2 PHE 30 -1.908 -11.178 -0.689 221 HZ PHE 30 HZ PHE 30 -3.576 -9.494 -1.310 222 H PHE 31 HN PHE 31 -3.927 -16.078 2.265 223 HA PHE 31 HA PHE 31 -1.213 -15.975 1.731 224 HB2 PHE 31 2HB PHE 31 -2.916 -17.653 3.670 225 HB3 PHE 31 3HB PHE 31 -1.179 -17.483 3.831 226 HD1 PHE 31 HD1 PHE 31 -0.257 -15.092 4.120 227 HD2 PHE 31 HD2 PHE 31 -4.343 -16.099 4.667 228 HE1 PHE 31 HE1 PHE 31 -0.587 -13.011 5.484 229 HE2 PHE 31 HE2 PHE 31 -4.673 -14.018 6.031 230 HZ PHE 31 HZ PHE 31 -2.792 -12.499 6.423 231 H LYS 32 HN LYS 32 -3.627 -18.496 1.086 232 HA LYS 32 HA LYS 32 -1.637 -20.528 0.681 233 HB2 LYS 32 2HB LYS 32 -4.066 -20.808 1.524 234 HB3 LYS 32 3HB LYS 32 -4.533 -20.666 -0.158 235 HG2 LYS 32 2HG LYS 32 -2.659 -22.500 -0.561 236 HG3 LYS 32 3HG LYS 32 -2.834 -22.806 1.156 237 HD2 LYS 32 2HD LYS 32 -5.277 -22.700 -0.649 238 HD3 LYS 32 3HD LYS 32 -4.322 -24.165 -0.529 239 HE2 LYS 32 2HE LYS 32 -4.622 -24.109 1.984 240 HE3 LYS 32 3HE LYS 32 -5.659 -22.707 1.802 241 HZ1 LYS 32 1HZ LYS 32 -6.176 -25.430 0.749 242 HZ2 LYS 32 2HZ LYS 32 -7.061 -24.618 1.848 243 H ALA 33 HN ALA 33 -3.007 -17.888 -1.111 244 HA ALA 33 HA ALA 33 -2.562 -19.104 -3.683 245 HB1 ALA 33 1HB ALA 33 -3.971 -16.845 -2.584 246 HB2 ALA 33 2HB ALA 33 -2.867 -16.273 -3.858 247 HB3 ALA 33 3HB ALA 33 -4.071 -17.533 -4.223 248 H CYS 34 HN CYS 34 -1.164 -16.296 -1.837 249 HA CYS 34 HA CYS 34 0.960 -15.958 -3.623 250 HB2 CYS 34 2HB CYS 34 0.029 -14.295 -1.904 251 HB3 CYS 34 3HB CYS 34 0.992 -15.140 -0.709 252 HG CYS 34 HG CYS 34 1.929 -13.659 -3.515 253 H GLY 35 HN GLY 35 0.306 -18.142 -0.921 254 HA2 GLY 35 1HA GLY 35 1.508 -20.171 -0.746 255 HA3 GLY 35 2HA GLY 35 2.954 -19.367 -1.324 256 H LEU 36 HN LEU 36 1.639 -17.065 0.644 257 HA LEU 36 HA LEU 36 3.537 -17.152 2.575 258 HB2 LEU 36 2HB LEU 36 0.843 -15.948 2.311 259 HB3 LEU 36 3HB LEU 36 1.507 -16.014 3.931 260 HG LEU 36 HG LEU 36 3.067 -14.848 1.623 261 HD11 LEU 36 1HD1 LEU 36 2.278 -12.605 2.551 262 HD12 LEU 36 2HD1 LEU 36 1.120 -13.535 1.570 263 HD13 LEU 36 3HD1 LEU 36 0.973 -13.520 3.344 264 HD21 LEU 36 1HD2 LEU 36 3.898 -13.492 3.764 265 HD22 LEU 36 2HD2 LEU 36 3.377 -14.985 4.582 266 HD23 LEU 36 3HD2 LEU 36 4.598 -15.059 3.290 267 H SER 37 HN SER 37 0.648 -19.158 2.258 268 HA SER 37 HA SER 37 0.505 -19.953 4.922 269 HB2 SER 37 2HB SER 37 -1.159 -21.404 4.203 270 HB3 SER 37 3HB SER 37 -1.144 -20.270 2.867 271 HG SER 37 HG SER 37 -0.174 -22.951 2.984 272 H GLY 38 HN GLY 38 2.237 -21.245 2.029 273 HA2 GLY 38 1HA GLY 38 3.419 -23.388 3.630 274 HA3 GLY 38 2HA GLY 38 3.525 -23.169 1.894 275 H LYS 39 HN LYS 39 3.987 -20.152 3.423 276 HA LYS 39 HA LYS 39 6.741 -20.141 2.702 277 HB2 LYS 39 2HB LYS 39 4.799 -18.151 3.845 278 HB3 LYS 39 3HB LYS 39 6.515 -17.802 3.873 279 HG2 LYS 39 2HG LYS 39 4.856 -18.478 1.399 280 HG3 LYS 39 3HG LYS 39 5.499 -16.901 1.812 281 HD2 LYS 39 2HD LYS 39 7.817 -18.319 1.884 282 HD3 LYS 39 3HD LYS 39 6.931 -19.322 0.754 283 HE2 LYS 39 2HE LYS 39 6.350 -16.964 -0.384 284 HE3 LYS 39 3HE LYS 39 7.794 -16.441 0.460 285 HZ1 LYS 39 1HZ LYS 39 9.106 -17.708 -0.886 286 HZ2 LYS 39 2HZ LYS 39 8.057 -18.949 -0.987 287 H SER 40 HN SER 40 8.199 -18.877 4.553 288 HA SER 40 HA SER 40 8.203 -20.827 6.692 289 HB2 SER 40 2HB SER 40 10.313 -18.842 5.740 290 HB3 SER 40 3HB SER 40 10.531 -19.905 7.116 291 HG SER 40 HG SER 40 9.933 -21.684 5.471 292 H THR 41 HN THR 41 8.018 -20.241 8.891 293 HA THR 41 HA THR 41 6.560 -17.977 9.525 294 HB THR 41 HB THR 41 8.354 -19.836 11.165 295 HG1 THR 41 HG1 THR 41 6.292 -20.843 11.427 296 HG21 THR 41 1HG2 THR 41 7.875 -18.594 13.020 297 HG22 THR 41 2HG2 THR 41 7.093 -17.369 11.993 298 HG23 THR 41 3HG2 THR 41 6.140 -18.722 12.647 299 H ASP 42 HN ASP 42 9.943 -18.268 8.799 300 HA ASP 42 HA ASP 42 10.907 -16.225 10.385 301 HB2 ASP 42 2HB ASP 42 12.148 -17.947 8.867 302 HB3 ASP 42 3HB ASP 42 11.863 -16.819 7.556 303 HD2 ASP 42 HD2 ASP 42 14.559 -17.284 8.273 304 H GLU 43 HN GLU 43 10.006 -16.231 6.843 305 HA GLU 43 HA GLU 43 10.209 -13.486 6.555 306 HB2 GLU 43 2HB GLU 43 9.405 -13.829 4.376 307 HB3 GLU 43 3HB GLU 43 10.084 -15.395 4.774 308 HG2 GLU 43 2HG GLU 43 7.818 -16.215 5.440 309 HG3 GLU 43 3HG GLU 43 7.135 -14.647 5.059 310 HE2 GLU 43 HE2 GLU 43 6.824 -14.350 2.534 311 H VAL 44 HN VAL 44 7.498 -15.625 7.522 312 HA VAL 44 HA VAL 44 5.344 -14.039 7.238 313 HB VAL 44 HB VAL 44 6.136 -15.818 9.547 314 HG11 VAL 44 1HG1 VAL 44 3.548 -14.385 8.966 315 HG12 VAL 44 2HG1 VAL 44 3.552 -15.949 9.817 316 HG13 VAL 44 3HG1 VAL 44 4.424 -14.558 10.506 317 HG21 VAL 44 1HG2 VAL 44 5.959 -16.772 7.193 318 HG22 VAL 44 2HG2 VAL 44 4.944 -17.543 8.436 319 HG23 VAL 44 3HG2 VAL 44 4.219 -16.403 7.276 320 H LYS 45 HN LYS 45 7.769 -13.884 9.925 321 HA LYS 45 HA LYS 45 6.528 -11.834 11.327 322 HB2 LYS 45 2HB LYS 45 9.476 -12.521 11.137 323 HB3 LYS 45 3HB LYS 45 8.742 -11.516 12.369 324 HG2 LYS 45 2HG LYS 45 7.566 -13.329 13.344 325 HG3 LYS 45 3HG LYS 45 7.643 -14.297 11.886 326 HD2 LYS 45 2HD LYS 45 10.170 -14.444 12.205 327 HD3 LYS 45 3HD LYS 45 9.971 -13.639 13.748 328 HE2 LYS 45 2HE LYS 45 9.823 -15.814 14.512 329 HE3 LYS 45 3HE LYS 45 8.133 -15.594 14.103 330 HZ1 LYS 45 1HZ LYS 45 9.577 -16.402 11.800 331 HZ2 LYS 45 2HZ LYS 45 9.865 -17.459 13.004 332 H LYS 46 HN LYS 46 8.962 -11.754 8.656 333 HA LYS 46 HA LYS 46 9.163 -8.937 8.672 334 HB2 LYS 46 2HB LYS 46 9.759 -10.640 6.267 335 HB3 LYS 46 3HB LYS 46 10.579 -9.201 6.838 336 HG2 LYS 46 2HG LYS 46 11.014 -10.764 9.002 337 HG3 LYS 46 3HG LYS 46 10.814 -12.040 7.817 338 HD2 LYS 46 2HD LYS 46 12.888 -9.819 7.850 339 HD3 LYS 46 3HD LYS 46 13.157 -11.551 7.819 340 HE2 LYS 46 2HE LYS 46 11.984 -9.878 5.546 341 HE3 LYS 46 3HE LYS 46 13.593 -10.571 5.589 342 HZ1 LYS 46 1HZ LYS 46 12.183 -12.770 5.972 343 HZ2 LYS 46 2HZ LYS 46 11.039 -11.931 5.172 344 H ALA 47 HN ALA 47 6.763 -11.189 7.532 345 HA ALA 47 HA ALA 47 5.725 -9.389 5.533 346 HB1 ALA 47 1HB ALA 47 5.655 -11.852 5.263 347 HB2 ALA 47 2HB ALA 47 4.626 -11.975 6.710 348 HB3 ALA 47 3HB ALA 47 4.022 -11.144 5.256 349 H PHE 48 HN PHE 48 5.195 -10.259 8.950 350 HA PHE 48 HA PHE 48 2.656 -9.138 9.220 351 HB2 PHE 48 2HB PHE 48 3.640 -10.608 10.917 352 HB3 PHE 48 3HB PHE 48 5.084 -9.620 11.028 353 HD1 PHE 48 HD1 PHE 48 1.565 -9.905 12.014 354 HD2 PHE 48 HD2 PHE 48 5.119 -7.615 12.377 355 HE1 PHE 48 HE1 PHE 48 0.570 -8.671 13.960 356 HE2 PHE 48 HE2 PHE 48 4.124 -6.381 14.323 357 HZ PHE 48 HZ PHE 48 1.862 -6.923 15.091 358 H ALA 49 HN ALA 49 5.822 -7.685 8.827 359 HA ALA 49 HA ALA 49 5.029 -5.192 10.050 360 HB1 ALA 49 1HB ALA 49 7.301 -4.486 9.349 361 HB2 ALA 49 2HB ALA 49 7.336 -6.017 10.255 362 HB3 ALA 49 3HB ALA 49 7.504 -6.028 8.484 363 H ILE 50 HN ILE 50 4.743 -6.815 6.994 364 HA ILE 50 HA ILE 50 4.857 -4.575 5.302 365 HB ILE 50 HB ILE 50 3.451 -7.231 4.997 366 HG12 ILE 50 2HG1 ILE 50 5.967 -7.218 5.416 367 HG13 ILE 50 3HG1 ILE 50 5.396 -8.060 3.989 368 HG21 ILE 50 1HG2 ILE 50 4.091 -6.379 2.474 369 HG22 ILE 50 2HG2 ILE 50 2.484 -6.256 3.229 370 HG23 ILE 50 3HG2 ILE 50 3.593 -4.863 3.263 371 HD11 ILE 50 1HD1 ILE 50 6.275 -5.150 3.868 372 HD12 ILE 50 2HD1 ILE 50 7.427 -6.494 3.681 373 HD13 ILE 50 3HD1 ILE 50 6.090 -6.300 2.522 374 H ILE 51 HN ILE 51 2.125 -6.261 6.978 375 HA ILE 51 HA ILE 51 0.240 -4.348 5.997 376 HB ILE 51 HB ILE 51 -0.211 -6.266 8.261 377 HG12 ILE 51 2HG1 ILE 51 -0.978 -7.665 6.025 378 HG13 ILE 51 3HG1 ILE 51 0.507 -6.913 5.476 379 HG21 ILE 51 1HG2 ILE 51 -2.339 -5.697 8.010 380 HG22 ILE 51 2HG2 ILE 51 -1.838 -4.469 6.822 381 HG23 ILE 51 3HG2 ILE 51 -2.289 -6.103 6.278 382 HD11 ILE 51 1HD1 ILE 51 0.095 -8.984 7.583 383 HD12 ILE 51 2HD1 ILE 51 1.478 -8.728 6.493 384 HD13 ILE 51 3HD1 ILE 51 1.305 -7.734 7.960 385 H ASP 52 HN ASP 52 1.270 -5.224 9.374 386 HA ASP 52 HA ASP 52 0.196 -3.237 10.715 387 HB2 ASP 52 2HB ASP 52 1.924 -5.083 11.427 388 HB3 ASP 52 3HB ASP 52 3.143 -3.859 11.132 389 HD2 ASP 52 HD2 ASP 52 2.967 -4.758 13.670 390 H GLN 53 HN GLN 53 0.042 -1.099 9.946 391 HA GLN 53 HA GLN 53 2.422 0.073 8.801 392 HB2 GLN 53 2HB GLN 53 -0.331 1.348 9.020 393 HB3 GLN 53 3HB GLN 53 0.967 1.792 7.930 394 HG2 GLN 53 2HG GLN 53 0.776 -0.596 6.951 395 HG3 GLN 53 3HG GLN 53 -0.707 -0.755 7.870 396 HE21 GLN 53 1HE2 GLN 53 -2.475 -0.320 6.816 397 HE22 GLN 53 2HE2 GLN 53 -2.676 0.792 5.503 398 H ASP 54 HN ASP 54 0.005 0.710 11.304 399 HA ASP 54 HA ASP 54 1.193 3.042 12.449 400 HB2 ASP 54 2HB ASP 54 -0.192 2.227 14.457 401 HB3 ASP 54 3HB ASP 54 -1.071 2.454 12.947 402 H LYS 55 HN LYS 55 1.914 -0.478 12.840 403 HA LYS 55 HA LYS 55 3.592 -1.496 13.855 404 HB2 LYS 55 2HB LYS 55 4.798 1.251 14.292 405 HB3 LYS 55 3HB LYS 55 5.632 -0.283 14.429 406 HG2 LYS 55 2HG LYS 55 4.576 1.080 11.939 407 HG3 LYS 55 3HG LYS 55 6.180 0.440 12.240 408 HD2 LYS 55 2HD LYS 55 3.641 -1.218 11.861 409 HD3 LYS 55 3HD LYS 55 4.917 -1.018 10.676 410 HE2 LYS 55 2HE LYS 55 5.471 -2.150 13.451 411 HE3 LYS 55 3HE LYS 55 4.968 -3.174 12.121 412 HZ1 LYS 55 1HZ LYS 55 7.058 -3.120 11.337 413 HZ2 LYS 55 2HZ LYS 55 7.072 -1.493 11.256 414 H SER 56 HN SER 56 1.113 -0.388 15.213 415 HA SER 56 HA SER 56 1.687 0.483 17.737 416 HB2 SER 56 2HB SER 56 -0.567 0.419 17.905 417 HB3 SER 56 3HB SER 56 -0.594 -0.270 16.294 418 HG SER 56 HG SER 56 -0.864 -1.557 18.824 419 H GLY 57 HN GLY 57 2.309 -2.598 16.265 420 HA2 GLY 57 1HA GLY 57 3.731 -4.155 17.298 421 HA3 GLY 57 2HA GLY 57 3.133 -3.674 18.874 422 H PHE 58 HN PHE 58 0.257 -3.624 17.706 423 HA PHE 58 HA PHE 58 -0.113 -6.513 17.427 424 HB2 PHE 58 2HB PHE 58 -1.619 -4.520 19.228 425 HB3 PHE 58 3HB PHE 58 -2.087 -6.196 19.022 426 HD1 PHE 58 HD1 PHE 58 -0.004 -3.911 20.825 427 HD2 PHE 58 HD2 PHE 58 -0.463 -7.999 19.782 428 HE1 PHE 58 HE1 PHE 58 1.499 -4.565 22.726 429 HE2 PHE 58 HE2 PHE 58 1.040 -8.653 21.683 430 HZ PHE 58 HZ PHE 58 2.003 -6.928 23.132 431 H ILE 59 HN ILE 59 -1.279 -6.945 15.620 432 HA ILE 59 HA ILE 59 -2.513 -4.834 14.186 433 HB ILE 59 HB ILE 59 -2.501 -7.830 13.822 434 HG12 ILE 59 2HG1 ILE 59 -0.918 -5.613 12.491 435 HG13 ILE 59 3HG1 ILE 59 -0.298 -6.789 13.633 436 HG21 ILE 59 1HG2 ILE 59 -3.968 -7.672 12.163 437 HG22 ILE 59 2HG2 ILE 59 -4.299 -6.004 12.689 438 HG23 ILE 59 3HG2 ILE 59 -3.081 -6.314 11.429 439 HD11 ILE 59 1HD1 ILE 59 -1.429 -7.362 10.858 440 HD12 ILE 59 2HD1 ILE 59 0.258 -7.553 11.393 441 HD13 ILE 59 3HD1 ILE 59 -1.007 -8.630 12.034 442 H GLU 60 HN GLU 60 -4.128 -3.854 15.431 443 HA GLU 60 HA GLU 60 -6.005 -5.335 16.857 444 HB2 GLU 60 2HB GLU 60 -6.151 -2.485 15.776 445 HB3 GLU 60 3HB GLU 60 -7.257 -3.156 16.959 446 HG2 GLU 60 2HG GLU 60 -5.692 -3.112 18.666 447 HG3 GLU 60 3HG GLU 60 -4.350 -3.468 17.597 448 HE2 GLU 60 HE2 GLU 60 -3.083 -1.583 17.164 449 H GLU 61 HN GLU 61 -8.430 -5.339 16.412 450 HA GLU 61 HA GLU 61 -9.012 -6.710 14.189 451 HB2 GLU 61 2HB GLU 61 -10.558 -6.533 16.067 452 HB3 GLU 61 3HB GLU 61 -10.798 -4.821 15.778 453 HG2 GLU 61 2HG GLU 61 -11.594 -5.583 13.377 454 HG3 GLU 61 3HG GLU 61 -11.762 -7.166 14.110 455 HE2 GLU 61 HE2 GLU 61 -13.222 -6.695 16.500 456 H GLU 62 HN GLU 62 -8.726 -3.179 14.544 457 HA GLU 62 HA GLU 62 -10.016 -2.546 12.144 458 HB2 GLU 62 2HB GLU 62 -7.850 -0.921 13.540 459 HB3 GLU 62 3HB GLU 62 -9.101 -0.314 12.473 460 HG2 GLU 62 2HG GLU 62 -10.766 -1.398 14.224 461 HG3 GLU 62 3HG GLU 62 -9.383 -1.372 15.301 462 HE2 GLU 62 HE2 GLU 62 -11.786 1.202 15.174 463 H GLU 63 HN GLU 63 -6.628 -3.329 13.037 464 HA GLU 63 HA GLU 63 -5.552 -2.579 10.565 465 HB2 GLU 63 2HB GLU 63 -4.642 -4.052 12.994 466 HB3 GLU 63 3HB GLU 63 -3.773 -4.437 11.522 467 HG2 GLU 63 2HG GLU 63 -3.183 -2.100 11.159 468 HG3 GLU 63 3HG GLU 63 -4.264 -1.567 12.432 469 H LEU 64 HN LEU 64 -6.887 -5.639 11.897 470 HA LEU 64 HA LEU 64 -6.043 -7.364 9.917 471 HB2 LEU 64 2HB LEU 64 -8.418 -7.295 11.753 472 HB3 LEU 64 3HB LEU 64 -8.248 -8.570 10.562 473 HG LEU 64 HG LEU 64 -6.119 -7.937 12.618 474 HD11 LEU 64 1HD1 LEU 64 -8.679 -9.296 12.949 475 HD12 LEU 64 2HD1 LEU 64 -7.293 -10.327 13.377 476 HD13 LEU 64 3HD1 LEU 64 -7.503 -8.745 14.166 477 HD21 LEU 64 1HD2 LEU 64 -6.461 -10.606 11.321 478 HD22 LEU 64 2HD2 LEU 64 -5.732 -9.286 10.375 479 HD23 LEU 64 3HD2 LEU 64 -4.992 -9.794 11.912 480 H LYS 65 HN LYS 65 -8.999 -5.279 10.069 481 HA LYS 65 HA LYS 65 -10.054 -6.141 7.635 482 HB2 LYS 65 2HB LYS 65 -11.262 -4.902 9.439 483 HB3 LYS 65 3HB LYS 65 -10.400 -3.447 8.981 484 HG2 LYS 65 2HG LYS 65 -11.315 -4.144 6.528 485 HG3 LYS 65 3HG LYS 65 -12.548 -4.934 7.489 486 HD2 LYS 65 2HD LYS 65 -11.777 -1.982 7.651 487 HD3 LYS 65 3HD LYS 65 -13.230 -2.622 6.909 488 HE2 LYS 65 2HE LYS 65 -13.504 -3.753 9.363 489 HE3 LYS 65 3HE LYS 65 -12.538 -2.366 9.825 490 HZ1 LYS 65 1HZ LYS 65 -14.190 -0.932 8.728 491 HZ2 LYS 65 2HZ LYS 65 -15.089 -2.223 8.306 492 H LEU 66 HN LEU 66 -7.218 -4.321 8.362 493 HA LEU 66 HA LEU 66 -7.227 -3.117 5.696 494 HB2 LEU 66 2HB LEU 66 -5.494 -2.611 8.117 495 HB3 LEU 66 3HB LEU 66 -5.286 -1.833 6.561 496 HG LEU 66 HG LEU 66 -7.591 -1.535 8.493 497 HD11 LEU 66 1HD1 LEU 66 -5.265 -0.211 8.487 498 HD12 LEU 66 2HD1 LEU 66 -6.152 0.780 7.304 499 HD13 LEU 66 3HD1 LEU 66 -6.810 0.546 8.941 500 HD21 LEU 66 1HD2 LEU 66 -8.708 -1.656 6.426 501 HD22 LEU 66 2HD2 LEU 66 -8.509 0.083 6.750 502 HD23 LEU 66 3HD2 LEU 66 -7.438 -0.734 5.586 503 H PHE 67 HN PHE 67 -6.939 -6.045 6.254 504 HA PHE 67 HA PHE 67 -4.195 -6.685 6.008 505 HB2 PHE 67 2HB PHE 67 -5.792 -8.307 6.894 506 HB3 PHE 67 3HB PHE 67 -6.899 -8.052 5.559 507 HD1 PHE 67 HD1 PHE 67 -3.399 -9.225 6.144 508 HD2 PHE 67 HD2 PHE 67 -6.981 -9.659 3.910 509 HE1 PHE 67 HE1 PHE 67 -2.415 -11.201 4.949 510 HE2 PHE 67 HE2 PHE 67 -5.996 -11.635 2.715 511 HZ PHE 67 HZ PHE 67 -3.725 -12.383 3.249 512 H LEU 68 HN LEU 68 -6.267 -5.136 3.860 513 HA LEU 68 HA LEU 68 -5.031 -6.412 1.530 514 HB2 LEU 68 2HB LEU 68 -7.557 -4.834 1.932 515 HB3 LEU 68 3HB LEU 68 -6.841 -5.006 0.342 516 HG LEU 68 HG LEU 68 -8.002 -7.150 2.117 517 HD11 LEU 68 1HD1 LEU 68 -9.771 -6.603 0.857 518 HD12 LEU 68 2HD1 LEU 68 -8.777 -5.763 -0.358 519 HD13 LEU 68 3HD1 LEU 68 -8.950 -7.534 -0.419 520 HD21 LEU 68 1HD2 LEU 68 -7.232 -8.602 0.003 521 HD22 LEU 68 2HD2 LEU 68 -5.900 -7.422 0.032 522 HD23 LEU 68 3HD2 LEU 68 -6.239 -8.418 1.468 523 H GLN 69 HN GLN 69 -5.056 -3.580 3.573 524 HA GLN 69 HA GLN 69 -4.009 -1.860 1.568 525 HB2 GLN 69 2HB GLN 69 -4.306 -1.614 4.587 526 HB3 GLN 69 3HB GLN 69 -3.593 -0.348 3.608 527 HG2 GLN 69 2HG GLN 69 -5.775 -0.541 2.154 528 HG3 GLN 69 3HG GLN 69 -6.440 -1.405 3.525 529 HE21 GLN 69 1HE2 GLN 69 -7.750 0.741 2.948 530 HE22 GLN 69 2HE2 GLN 69 -7.430 2.076 4.005 531 H ASN 70 HN ASN 70 -2.718 -4.542 2.947 532 HA ASN 70 HA ASN 70 -0.206 -3.483 3.747 533 HB2 ASN 70 2HB ASN 70 0.410 -6.017 3.701 534 HB3 ASN 70 3HB ASN 70 -0.828 -5.521 4.839 535 HD21 ASN 70 1HD2 ASN 70 -0.715 -8.095 4.154 536 HD22 ASN 70 2HD2 ASN 70 -2.030 -8.562 3.129 537 H PHE 71 HN PHE 71 -1.570 -5.413 0.984 538 HA PHE 71 HA PHE 71 0.925 -5.367 -0.426 539 HB2 PHE 71 2HB PHE 71 -1.911 -6.024 -1.405 540 HB3 PHE 71 3HB PHE 71 -0.413 -6.639 -2.074 541 HD1 PHE 71 HD1 PHE 71 -3.133 -7.584 -0.249 542 HD2 PHE 71 HD2 PHE 71 1.101 -7.802 -0.072 543 HE1 PHE 71 HE1 PHE 71 -3.299 -9.602 1.234 544 HE2 PHE 71 HE2 PHE 71 0.935 -9.821 1.411 545 HZ PHE 71 HZ PHE 71 -1.263 -10.696 2.046 546 H LYS 72 HN LYS 72 -1.082 -2.898 0.267 547 HA LYS 72 HA LYS 72 -0.199 -1.299 -1.835 548 HB2 LYS 72 2HB LYS 72 -1.808 -2.680 -3.152 549 HB3 LYS 72 3HB LYS 72 -3.106 -2.110 -2.123 550 HG2 LYS 72 2HG LYS 72 -3.271 -0.503 -3.777 551 HG3 LYS 72 3HG LYS 72 -2.080 0.298 -2.772 552 HD2 LYS 72 2HD LYS 72 -0.306 -1.011 -4.206 553 HD3 LYS 72 3HD LYS 72 -1.624 -1.275 -5.331 554 HE2 LYS 72 2HE LYS 72 -2.007 1.314 -5.185 555 HE3 LYS 72 3HE LYS 72 -0.415 1.376 -4.455 556 HZ1 LYS 72 1HZ LYS 72 -0.858 -0.001 -7.040 557 HZ2 LYS 72 2HZ LYS 72 -0.521 1.591 -6.974 558 H ALA 73 HN ALA 73 -0.588 0.898 -1.375 559 HA ALA 73 HA ALA 73 -1.696 1.310 1.282 560 HB1 ALA 73 1HB ALA 73 -0.679 3.646 0.836 561 HB2 ALA 73 2HB ALA 73 0.447 2.278 1.010 562 HB3 ALA 73 3HB ALA 73 0.054 2.907 -0.608 563 H GLY 74 HN GLY 74 -3.340 0.701 -1.223 564 HA2 GLY 74 1HA GLY 74 -5.213 2.915 -0.861 565 HA3 GLY 74 2HA GLY 74 -4.614 2.632 -2.483 566 H ALA 75 HN ALA 75 -4.799 -0.172 -0.377 567 HA ALA 75 HA ALA 75 -6.729 -1.369 -2.109 568 HB1 ALA 75 1HB ALA 75 -4.738 -2.503 -1.005 569 HB2 ALA 75 2HB ALA 75 -5.635 -2.407 0.530 570 HB3 ALA 75 3HB ALA 75 -6.292 -3.352 -0.828 571 H ARG 76 HN ARG 76 -8.678 -2.566 -1.081 572 HA ARG 76 HA ARG 76 -10.189 -0.556 0.229 573 HB2 ARG 76 2HB ARG 76 -12.077 -2.144 -0.036 574 HB3 ARG 76 3HB ARG 76 -11.180 -2.011 -1.535 575 HG2 ARG 76 2HG ARG 76 -10.350 -4.172 -1.402 576 HG3 ARG 76 3HG ARG 76 -10.243 -4.143 0.347 577 HD2 ARG 76 2HD ARG 76 -12.676 -4.450 0.559 578 HD3 ARG 76 3HD ARG 76 -12.891 -4.290 -1.173 579 HE ARG 76 HE ARG 76 -11.101 -6.381 -0.988 580 HH11 ARG 76 HH1 ARG 76 -13.100 -9.088 -0.127 581 HH21 ARG 76 1HH2 ARG 76 -14.647 -7.439 0.666 582 HH22 ARG 76 2HH2 ARG 76 -14.242 -5.760 0.530 583 H ALA 77 HN ALA 77 -11.928 -1.996 1.921 584 HA ALA 77 HA ALA 77 -10.104 -3.130 3.927 585 HB1 ALA 77 1HB ALA 77 -11.093 -1.844 5.626 586 HB2 ALA 77 2HB ALA 77 -10.961 -0.690 4.277 587 HB3 ALA 77 3HB ALA 77 -12.524 -1.462 4.638 588 H LEU 78 HN LEU 78 -10.775 -5.046 4.838 589 HA LEU 78 HA LEU 78 -12.745 -6.523 3.577 590 HB2 LEU 78 2HB LEU 78 -11.387 -6.817 6.253 591 HB3 LEU 78 3HB LEU 78 -12.511 -8.005 5.622 592 HG LEU 78 HG LEU 78 -10.494 -8.914 5.008 593 HD11 LEU 78 1HD1 LEU 78 -11.942 -8.666 3.027 594 HD12 LEU 78 2HD1 LEU 78 -11.105 -7.148 2.622 595 HD13 LEU 78 3HD1 LEU 78 -10.211 -8.687 2.611 596 HD21 LEU 78 1HD2 LEU 78 -8.503 -7.762 4.404 597 HD22 LEU 78 2HD2 LEU 78 -9.377 -6.229 4.174 598 HD23 LEU 78 3HD2 LEU 78 -9.193 -6.912 5.807 599 H SER 79 HN SER 79 -14.750 -7.472 4.636 600 HA SER 79 HA SER 79 -16.348 -5.285 5.461 601 HB2 SER 79 2HB SER 79 -17.192 -7.077 3.959 602 HB3 SER 79 3HB SER 79 -16.988 -8.260 5.236 603 HG SER 79 HG SER 79 -18.840 -6.048 5.133 604 H ASP 80 HN ASP 80 -17.770 -5.376 7.460 605 HA ASP 80 HA ASP 80 -16.276 -5.560 9.711 606 HB2 ASP 80 2HB ASP 80 -19.291 -5.935 9.397 607 HB3 ASP 80 3HB ASP 80 -18.499 -5.616 10.927 608 HD2 ASP 80 HD2 ASP 80 -19.165 -2.777 8.245 609 H ALA 81 HN ALA 81 -17.871 -8.069 7.831 610 HA ALA 81 HA ALA 81 -17.882 -9.975 10.011 611 HB1 ALA 81 1HB ALA 81 -19.004 -11.413 8.448 612 HB2 ALA 81 2HB ALA 81 -19.688 -9.784 8.232 613 HB3 ALA 81 3HB ALA 81 -18.498 -10.412 7.067 614 H GLU 82 HN GLU 82 -16.354 -9.662 6.723 615 HA GLU 82 HA GLU 82 -14.763 -11.801 6.781 616 HB2 GLU 82 2HB GLU 82 -14.238 -9.002 5.723 617 HB3 GLU 82 3HB GLU 82 -13.099 -10.306 5.452 618 HG2 GLU 82 2HG GLU 82 -14.503 -11.429 3.990 619 HG3 GLU 82 3HG GLU 82 -15.958 -10.947 4.840 620 HE2 GLU 82 HE2 GLU 82 -14.314 -8.159 2.452 621 H THR 83 HN THR 83 -14.051 -8.585 8.290 622 HA THR 83 HA THR 83 -11.499 -9.267 9.232 623 HB THR 83 HB THR 83 -13.545 -7.275 10.343 624 HG1 THR 83 HG1 THR 83 -11.569 -7.327 8.179 625 HG21 THR 83 1HG2 THR 83 -11.651 -6.024 11.119 626 HG22 THR 83 2HG2 THR 83 -11.285 -7.698 11.600 627 HG23 THR 83 3HG2 THR 83 -10.515 -6.998 10.156 628 H LYS 84 HN LYS 84 -14.767 -9.898 10.495 629 HA LYS 84 HA LYS 84 -13.857 -10.636 13.078 630 HB2 LYS 84 2HB LYS 84 -16.409 -10.651 11.564 631 HB3 LYS 84 3HB LYS 84 -16.274 -11.849 12.835 632 HG2 LYS 84 2HG LYS 84 -15.404 -9.024 13.449 633 HG3 LYS 84 3HG LYS 84 -17.122 -9.354 13.348 634 HD2 LYS 84 2HD LYS 84 -16.830 -9.867 15.582 635 HD3 LYS 84 3HD LYS 84 -16.441 -11.442 14.920 636 HE2 LYS 84 2HE LYS 84 -14.143 -11.195 15.287 637 HE3 LYS 84 3HE LYS 84 -14.192 -9.450 15.130 638 HZ1 LYS 84 1HZ LYS 84 -14.261 -9.383 17.362 639 HZ2 LYS 84 2HZ LYS 84 -15.747 -10.049 17.344 640 H ALA 85 HN ALA 85 -14.531 -12.374 9.999 641 HA ALA 85 HA ALA 85 -14.116 -14.942 11.123 642 HB1 ALA 85 1HB ALA 85 -15.446 -14.725 9.139 643 HB2 ALA 85 2HB ALA 85 -14.157 -13.838 8.292 644 HB3 ALA 85 3HB ALA 85 -13.953 -15.567 8.660 645 H PHE 86 HN PHE 86 -12.047 -12.402 9.722 646 HA PHE 86 HA PHE 86 -9.784 -14.202 9.634 647 HB2 PHE 86 2HB PHE 86 -10.431 -12.279 7.974 648 HB3 PHE 86 3HB PHE 86 -9.971 -11.160 9.242 649 HD1 PHE 86 HD1 PHE 86 -8.278 -14.339 8.335 650 HD2 PHE 86 HD2 PHE 86 -8.107 -10.099 8.305 651 HE1 PHE 86 HE1 PHE 86 -5.893 -14.440 7.560 652 HE2 PHE 86 HE2 PHE 86 -5.722 -10.200 7.529 653 HZ PHE 86 HZ PHE 86 -4.643 -12.370 7.166 654 H LEU 87 HN LEU 87 -11.369 -12.173 11.921 655 HA LEU 87 HA LEU 87 -8.950 -11.444 13.314 656 HB2 LEU 87 2HB LEU 87 -10.612 -9.804 13.343 657 HB3 LEU 87 3HB LEU 87 -11.884 -10.953 13.708 658 HG LEU 87 HG LEU 87 -10.913 -11.268 15.980 659 HD11 LEU 87 1HD1 LEU 87 -9.189 -9.861 16.833 660 HD12 LEU 87 2HD1 LEU 87 -8.584 -10.591 15.326 661 HD13 LEU 87 3HD1 LEU 87 -9.142 -8.900 15.335 662 HD21 LEU 87 1HD2 LEU 87 -11.305 -8.525 16.374 663 HD22 LEU 87 2HD2 LEU 87 -12.268 -8.934 14.934 664 HD23 LEU 87 3HD2 LEU 87 -12.525 -9.818 16.458 665 H LYS 88 HN LYS 88 -11.741 -13.703 13.688 666 HA LYS 88 HA LYS 88 -10.649 -14.767 16.116 667 HB2 LYS 88 2HB LYS 88 -13.092 -15.195 14.451 668 HB3 LYS 88 3HB LYS 88 -12.585 -16.506 15.497 669 HG2 LYS 88 2HG LYS 88 -12.553 -14.949 17.449 670 HG3 LYS 88 3HG LYS 88 -13.032 -13.623 16.408 671 HD2 LYS 88 2HD LYS 88 -14.659 -16.122 17.054 672 HD3 LYS 88 3HD LYS 88 -15.020 -14.478 17.541 673 HE2 LYS 88 2HE LYS 88 -15.147 -13.895 15.028 674 HE3 LYS 88 3HE LYS 88 -15.086 -15.618 14.712 675 HZ1 LYS 88 1HZ LYS 88 -17.342 -14.177 15.342 676 HZ2 LYS 88 2HZ LYS 88 -17.239 -15.802 15.296 677 H ALA 89 HN ALA 89 -10.610 -15.502 12.629 678 HA ALA 89 HA ALA 89 -9.802 -18.132 12.712 679 HB1 ALA 89 1HB ALA 89 -9.434 -15.813 10.831 680 HB2 ALA 89 2HB ALA 89 -8.540 -17.321 10.523 681 HB3 ALA 89 3HB ALA 89 -10.318 -17.340 10.594 682 H GLY 90 HN GLY 90 -7.828 -15.100 12.897 683 HA2 GLY 90 1HA GLY 90 -5.414 -16.663 13.365 684 HA3 GLY 90 2HA GLY 90 -5.545 -14.927 13.165 685 H ASP 91 HN ASP 91 -7.274 -14.008 15.029 686 HA ASP 91 HA ASP 91 -5.783 -14.292 17.380 687 HB2 ASP 91 2HB ASP 91 -7.394 -12.362 16.416 688 HB3 ASP 91 3HB ASP 91 -8.592 -13.184 17.395 689 HD2 ASP 91 HD2 ASP 91 -8.803 -11.685 18.882 690 H SER 92 HN SER 92 -5.958 -16.062 18.763 691 HA SER 92 HA SER 92 -8.487 -17.483 18.755 692 HB2 SER 92 2HB SER 92 -6.841 -19.084 18.399 693 HB3 SER 92 3HB SER 92 -5.635 -18.216 19.328 694 HG SER 92 HG SER 92 -6.275 -20.083 20.492 695 H ASP 93 HN ASP 93 -6.284 -15.654 20.708 696 HA ASP 93 HA ASP 93 -7.452 -16.264 23.302 697 HB2 ASP 93 2HB ASP 93 -5.896 -14.603 24.056 698 HB3 ASP 93 3HB ASP 93 -5.103 -15.421 22.712 699 H GLY 94 HN GLY 94 -8.459 -14.263 20.590 700 HA2 GLY 94 1HA GLY 94 -10.006 -12.640 20.384 701 HA3 GLY 94 2HA GLY 94 -10.850 -13.485 21.666 702 H ASP 95 HN ASP 95 -7.876 -11.395 21.395 703 HA ASP 95 HA ASP 95 -8.691 -10.156 23.878 704 HB2 ASP 95 2HB ASP 95 -6.399 -9.124 23.792 705 HB3 ASP 95 3HB ASP 95 -6.369 -10.876 23.786 706 HD2 ASP 95 HD2 ASP 95 -6.104 -11.234 20.562 707 H GLY 96 HN GLY 96 -8.498 -9.695 20.397 708 HA2 GLY 96 1HA GLY 96 -9.907 -7.916 19.521 709 HA3 GLY 96 2HA GLY 96 -9.219 -6.844 20.725 710 H LYS 97 HN LYS 97 -6.632 -8.745 19.976 711 HA LYS 97 HA LYS 97 -5.935 -7.251 17.559 712 HB2 LYS 97 2HB LYS 97 -3.876 -7.541 19.714 713 HB3 LYS 97 3HB LYS 97 -3.988 -6.362 18.423 714 HG2 LYS 97 2HG LYS 97 -5.902 -5.261 19.537 715 HG3 LYS 97 3HG LYS 97 -5.921 -6.491 20.785 716 HD2 LYS 97 2HD LYS 97 -3.530 -4.671 20.237 717 HD3 LYS 97 3HD LYS 97 -4.749 -4.335 21.450 718 HE2 LYS 97 2HE LYS 97 -4.221 -6.619 22.484 719 HE3 LYS 97 3HE LYS 97 -2.878 -6.747 21.366 720 HZ1 LYS 97 1HZ LYS 97 -2.725 -5.547 23.776 721 HZ2 LYS 97 2HZ LYS 97 -1.688 -5.247 22.556 722 H ILE 98 HN ILE 98 -3.904 -8.221 16.516 723 HA ILE 98 HA ILE 98 -3.764 -11.089 17.110 724 HB ILE 98 HB ILE 98 -4.430 -9.720 14.548 725 HG12 ILE 98 2HG1 ILE 98 -5.400 -12.094 16.116 726 HG13 ILE 98 3HG1 ILE 98 -6.295 -10.699 15.547 727 HG21 ILE 98 1HG2 ILE 98 -2.285 -10.853 14.093 728 HG22 ILE 98 2HG2 ILE 98 -2.988 -12.383 14.671 729 HG23 ILE 98 3HG2 ILE 98 -3.650 -11.591 13.221 730 HD11 ILE 98 1HD1 ILE 98 -6.969 -12.363 14.031 731 HD12 ILE 98 2HD1 ILE 98 -5.646 -11.573 13.140 732 HD13 ILE 98 3HD1 ILE 98 -5.355 -13.112 13.984 733 H GLY 99 HN GLY 99 -1.746 -11.402 17.892 734 HA2 GLY 99 1HA GLY 99 0.412 -9.640 17.265 735 HA3 GLY 99 2HA GLY 99 0.474 -11.118 18.204 736 H ILE 100 HN ILE 100 2.612 -11.267 16.934 737 HA ILE 100 HA ILE 100 2.359 -11.943 14.159 738 HB ILE 100 HB ILE 100 4.303 -10.793 15.485 739 HG12 ILE 100 2HG1 ILE 100 4.277 -11.082 13.081 740 HG13 ILE 100 3HG1 ILE 100 5.863 -11.475 13.713 741 HG21 ILE 100 1HG2 ILE 100 4.734 -12.553 17.076 742 HG22 ILE 100 2HG2 ILE 100 4.993 -13.730 15.766 743 HG23 ILE 100 3HG2 ILE 100 6.136 -12.385 15.993 744 HD11 ILE 100 1HD1 ILE 100 5.156 -13.930 13.731 745 HD12 ILE 100 2HD1 ILE 100 3.691 -13.432 12.851 746 HD13 ILE 100 3HD1 ILE 100 5.295 -13.196 12.115 747 H ASP 101 HN ASP 101 3.171 -13.700 17.228 748 HA ASP 101 HA ASP 101 3.554 -16.153 16.190 749 HB2 ASP 101 2HB ASP 101 2.246 -16.835 18.467 750 HB3 ASP 101 3HB ASP 101 3.881 -16.205 18.466 751 HD2 ASP 101 HD2 ASP 101 0.855 -13.854 19.636 752 H GLU 102 HN GLU 102 0.555 -14.288 16.560 753 HA GLU 102 HA GLU 102 -1.091 -16.597 16.111 754 HB2 GLU 102 2HB GLU 102 -1.524 -13.727 16.844 755 HB3 GLU 102 3HB GLU 102 -2.822 -14.499 15.957 756 HG2 GLU 102 2HG GLU 102 -3.303 -16.001 17.671 757 HG3 GLU 102 3HG GLU 102 -1.645 -16.062 18.235 758 H PHE 103 HN PHE 103 -0.053 -13.587 14.407 759 HA PHE 103 HA PHE 103 -1.638 -13.886 12.156 760 HB2 PHE 103 2HB PHE 103 -0.396 -11.834 12.611 761 HB3 PHE 103 3HB PHE 103 1.114 -12.705 12.798 762 HD1 PHE 103 HD1 PHE 103 2.634 -12.518 11.083 763 HD2 PHE 103 HD2 PHE 103 -1.496 -12.186 10.169 764 HE1 PHE 103 HE1 PHE 103 3.203 -12.048 8.684 765 HE2 PHE 103 HE2 PHE 103 -0.927 -11.716 7.770 766 HZ PHE 103 HZ PHE 103 1.415 -11.652 7.056 767 H ALA 104 HN ALA 104 1.396 -15.482 13.128 768 HA ALA 104 HA ALA 104 1.783 -16.570 10.475 769 HB1 ALA 104 1HB ALA 104 3.828 -17.450 11.384 770 HB2 ALA 104 2HB ALA 104 3.646 -15.796 12.016 771 HB3 ALA 104 3HB ALA 104 3.268 -17.191 13.054 772 H ALA 105 HN ALA 105 -0.259 -17.179 13.083 773 HA ALA 105 HA ALA 105 -0.069 -20.055 12.989 774 HB1 ALA 105 1HB ALA 105 -1.095 -19.886 14.985 775 HB2 ALA 105 2HB ALA 105 -0.971 -18.118 14.820 776 HB3 ALA 105 3HB ALA 105 -2.442 -18.961 14.279 777 H MET 106 HN MET 106 -2.517 -17.509 12.126 778 HA MET 106 HA MET 106 -4.366 -19.176 11.040 779 HB2 MET 106 2HB MET 106 -5.017 -17.110 9.679 780 HB3 MET 106 3HB MET 106 -4.793 -16.787 11.387 781 HG2 MET 106 2HG MET 106 -2.283 -16.254 10.667 782 HG3 MET 106 3HG MET 106 -2.981 -16.058 9.072 783 HE1 MET 106 1HE MET 106 -5.961 -13.606 10.030 784 HE2 MET 106 2HE MET 106 -5.660 -15.235 9.379 785 HE3 MET 106 3HE MET 106 -6.027 -15.022 11.107 786 H ILE 107 HN ILE 107 -1.187 -18.366 9.831 787 HA ILE 107 HA ILE 107 -1.894 -19.270 7.148 788 HB ILE 107 HB ILE 107 0.511 -18.573 6.698 789 HG12 ILE 107 2HG1 ILE 107 0.204 -17.124 9.341 790 HG13 ILE 107 3HG1 ILE 107 1.155 -18.582 9.138 791 HG21 ILE 107 1HG2 ILE 107 -1.211 -17.227 5.836 792 HG22 ILE 107 2HG2 ILE 107 -1.686 -16.644 7.450 793 HG23 ILE 107 3HG2 ILE 107 -0.150 -16.108 6.726 794 HD11 ILE 107 1HD1 ILE 107 1.963 -16.876 7.018 795 HD12 ILE 107 2HD1 ILE 107 1.849 -15.838 8.459 796 HD13 ILE 107 3HD1 ILE 107 2.889 -17.282 8.483 797 H LYS 108 HN LYS 108 0.200 -20.034 9.981 798 HA LYS 108 HA LYS 108 1.442 -22.250 8.796 799 HB2 LYS 108 2HB LYS 108 2.389 -21.130 10.720 800 HB3 LYS 108 3HB LYS 108 0.978 -21.493 11.694 801 HG2 LYS 108 2HG LYS 108 1.660 -23.639 12.107 802 HG3 LYS 108 3HG LYS 108 2.149 -23.906 10.445 803 HD2 LYS 108 2HD LYS 108 4.150 -22.265 11.063 804 HD3 LYS 108 3HD LYS 108 3.745 -22.691 12.714 805 HE2 LYS 108 2HE LYS 108 4.580 -24.586 10.475 806 HE3 LYS 108 3HE LYS 108 5.454 -24.243 11.954 807 HZ1 LYS 108 1HZ LYS 108 2.799 -25.574 11.846 808 HZ2 LYS 108 2HZ LYS 108 4.213 -26.338 12.104 809 H GLY 109 HN GLY 109 -1.788 -21.704 9.977 810 HA2 GLY 109 1HA GLY 109 -2.291 -24.619 9.869 811 HA3 GLY 109 2HA GLY 109 -3.097 -23.534 10.984 Start of MODEL 18 1 H SER 0 HN SER 0 2.722 1.135 1.382 2 HA SER 0 HA SER 0 2.244 1.337 -1.490 3 HB2 SER 0 2HB SER 0 4.809 1.340 -1.644 4 HB3 SER 0 3HB SER 0 4.063 2.796 -1.017 5 HG SER 0 HG SER 0 4.842 2.407 0.988 6 H MET 1 HN MET 1 3.012 -0.472 -2.813 7 HA MET 1 HA MET 1 2.533 -2.930 -1.644 8 HB2 MET 1 2HB MET 1 4.058 -2.246 -4.220 9 HB3 MET 1 3HB MET 1 3.363 -3.813 -3.859 10 HG2 MET 1 2HG MET 1 1.150 -3.057 -4.132 11 HG3 MET 1 3HG MET 1 1.551 -1.399 -3.733 12 HE1 MET 1 1HE MET 1 0.752 -3.883 -5.977 13 HE2 MET 1 2HE MET 1 0.782 -3.126 -7.587 14 HE3 MET 1 3HE MET 1 2.186 -4.059 -7.016 15 H ALA 2 HN ALA 2 3.914 -3.154 0.223 16 HA ALA 2 HA ALA 2 6.747 -3.007 -0.083 17 HB1 ALA 2 1HB ALA 2 6.550 -2.788 2.142 18 HB2 ALA 2 2HB ALA 2 4.807 -3.128 2.023 19 HB3 ALA 2 3HB ALA 2 5.960 -4.463 2.259 20 H PHE 3 HN PHE 3 4.253 -5.609 0.086 21 HA PHE 3 HA PHE 3 6.006 -7.754 0.165 22 HB2 PHE 3 2HB PHE 3 3.176 -7.138 -0.733 23 HB3 PHE 3 3HB PHE 3 3.830 -8.685 -1.234 24 HD1 PHE 3 HD1 PHE 3 2.227 -6.906 1.383 25 HD2 PHE 3 HD2 PHE 3 4.796 -10.199 0.629 26 HE1 PHE 3 HE1 PHE 3 1.631 -7.882 3.617 27 HE2 PHE 3 HE2 PHE 3 4.200 -11.175 2.864 28 HZ PHE 3 HZ PHE 3 2.625 -10.005 4.331 29 H ALA 4 HN ALA 4 5.458 -5.449 -2.348 30 HA ALA 4 HA ALA 4 5.632 -6.932 -4.646 31 HB1 ALA 4 1HB ALA 4 6.683 -4.848 -5.591 32 HB2 ALA 4 2HB ALA 4 5.204 -4.547 -4.648 33 HB3 ALA 4 3HB ALA 4 6.799 -4.214 -3.932 34 H SER 5 HN SER 5 7.994 -6.475 -2.102 35 HA SER 5 HA SER 5 10.086 -7.438 -3.868 36 HB2 SER 5 2HB SER 5 10.145 -6.216 -1.079 37 HB3 SER 5 3HB SER 5 11.564 -6.922 -1.828 38 HG SER 5 HG SER 5 9.997 -4.719 -2.874 39 H VAL 6 HN VAL 6 8.225 -8.174 -0.883 40 HA VAL 6 HA VAL 6 9.690 -10.448 -0.143 41 HB VAL 6 HB VAL 6 6.810 -9.671 0.363 42 HG11 VAL 6 1HG1 VAL 6 6.550 -11.469 1.681 43 HG12 VAL 6 2HG1 VAL 6 7.967 -12.137 0.836 44 HG13 VAL 6 3HG1 VAL 6 8.173 -11.296 2.391 45 HG21 VAL 6 1HG2 VAL 6 9.414 -8.982 1.707 46 HG22 VAL 6 2HG2 VAL 6 8.045 -7.928 1.277 47 HG23 VAL 6 3HG2 VAL 6 7.907 -9.050 2.652 48 H LEU 7 HN LEU 7 6.442 -10.213 -1.771 49 HA LEU 7 HA LEU 7 7.047 -12.827 -2.965 50 HB2 LEU 7 2HB LEU 7 4.374 -11.552 -2.361 51 HB3 LEU 7 3HB LEU 7 4.612 -13.100 -3.148 52 HG LEU 7 HG LEU 7 5.819 -12.672 -0.439 53 HD11 LEU 7 1HD1 LEU 7 2.980 -12.450 -1.012 54 HD12 LEU 7 2HD1 LEU 7 3.332 -13.817 0.073 55 HD13 LEU 7 3HD1 LEU 7 3.869 -12.176 0.506 56 HD21 LEU 7 1HD2 LEU 7 5.345 -15.068 -0.205 57 HD22 LEU 7 2HD2 LEU 7 4.588 -15.074 -1.816 58 HD23 LEU 7 3HD2 LEU 7 6.325 -14.723 -1.651 59 H LYS 8 HN LYS 8 5.536 -13.021 -5.116 60 HA LYS 8 HA LYS 8 6.638 -11.006 -6.839 61 HB2 LYS 8 2HB LYS 8 6.460 -13.558 -7.246 62 HB3 LYS 8 3HB LYS 8 4.790 -13.240 -7.670 63 HG2 LYS 8 2HG LYS 8 5.878 -13.052 -9.752 64 HG3 LYS 8 3HG LYS 8 5.754 -11.379 -9.245 65 HD2 LYS 8 2HD LYS 8 8.007 -11.438 -9.818 66 HD3 LYS 8 3HD LYS 8 8.131 -11.863 -8.122 67 HE2 LYS 8 2HE LYS 8 9.478 -13.439 -9.416 68 HE3 LYS 8 3HE LYS 8 8.106 -14.300 -8.748 69 HZ1 LYS 8 1HZ LYS 8 7.488 -14.820 -10.828 70 HZ2 LYS 8 2HZ LYS 8 7.369 -13.254 -11.258 71 H ASP 9 HN ASP 9 5.671 -9.116 -7.323 72 HA ASP 9 HA ASP 9 3.327 -8.304 -6.298 73 HB2 ASP 9 2HB ASP 9 3.299 -6.637 -8.253 74 HB3 ASP 9 3HB ASP 9 4.765 -6.679 -7.295 75 HD2 ASP 9 HD2 ASP 9 6.483 -6.348 -9.110 76 H ALA 10 HN ALA 10 3.968 -10.311 -9.161 77 HA ALA 10 HA ALA 10 1.364 -9.977 -10.302 78 HB1 ALA 10 1HB ALA 10 3.660 -11.909 -10.807 79 HB2 ALA 10 2HB ALA 10 2.170 -11.854 -11.779 80 HB3 ALA 10 3HB ALA 10 3.258 -10.446 -11.737 81 H GLU 11 HN GLU 11 3.014 -12.218 -8.054 82 HA GLU 11 HA GLU 11 0.977 -14.150 -8.149 83 HB2 GLU 11 2HB GLU 11 3.324 -13.582 -6.331 84 HB3 GLU 11 3HB GLU 11 2.137 -14.774 -5.842 85 HG2 GLU 11 2HG GLU 11 3.264 -14.909 -8.647 86 HG3 GLU 11 3HG GLU 11 4.250 -15.477 -7.314 87 HE2 GLU 11 HE2 GLU 11 3.448 -18.187 -7.904 88 H VAL 12 HN VAL 12 1.909 -11.743 -5.576 89 HA VAL 12 HA VAL 12 -0.264 -12.175 -3.940 90 HB VAL 12 HB VAL 12 0.337 -10.165 -2.882 91 HG11 VAL 12 1HG1 VAL 12 2.166 -12.092 -3.346 92 HG12 VAL 12 2HG1 VAL 12 3.026 -10.696 -4.038 93 HG13 VAL 12 3HG1 VAL 12 2.490 -10.659 -2.341 94 HG21 VAL 12 1HG2 VAL 12 0.160 -8.690 -4.861 95 HG22 VAL 12 2HG2 VAL 12 1.628 -8.370 -3.906 96 HG23 VAL 12 3HG2 VAL 12 1.739 -9.286 -5.428 97 H THR 13 HN THR 13 0.089 -10.104 -6.857 98 HA THR 13 HA THR 13 -2.181 -8.600 -6.697 99 HB THR 13 HB THR 13 -0.530 -9.833 -8.909 100 HG1 THR 13 HG1 THR 13 -1.464 -7.209 -7.982 101 HG21 THR 13 1HG2 THR 13 -2.464 -9.835 -10.230 102 HG22 THR 13 2HG2 THR 13 -3.298 -8.661 -9.184 103 HG23 THR 13 3HG2 THR 13 -2.053 -8.106 -10.329 104 H ALA 14 HN ALA 14 -1.941 -11.961 -8.032 105 HA ALA 14 HA ALA 14 -4.674 -12.158 -8.593 106 HB1 ALA 14 1HB ALA 14 -2.378 -13.665 -8.995 107 HB2 ALA 14 2HB ALA 14 -3.318 -14.663 -7.860 108 HB3 ALA 14 3HB ALA 14 -4.034 -14.165 -9.411 109 H ALA 15 HN ALA 15 -2.813 -12.343 -5.610 110 HA ALA 15 HA ALA 15 -4.798 -13.814 -4.172 111 HB1 ALA 15 1HB ALA 15 -3.338 -13.538 -2.323 112 HB2 ALA 15 2HB ALA 15 -2.261 -13.661 -3.735 113 HB3 ALA 15 3HB ALA 15 -2.605 -12.070 -3.014 114 H LEU 16 HN LEU 16 -4.298 -10.498 -5.176 115 HA LEU 16 HA LEU 16 -5.979 -9.438 -3.079 116 HB2 LEU 16 2HB LEU 16 -4.427 -8.292 -5.376 117 HB3 LEU 16 3HB LEU 16 -5.660 -7.336 -4.579 118 HG LEU 16 HG LEU 16 -3.545 -8.651 -2.907 119 HD11 LEU 16 1HD1 LEU 16 -2.937 -6.871 -5.052 120 HD12 LEU 16 2HD1 LEU 16 -2.684 -6.008 -3.515 121 HD13 LEU 16 3HD1 LEU 16 -1.850 -7.552 -3.818 122 HD21 LEU 16 1HD2 LEU 16 -4.216 -5.932 -2.233 123 HD22 LEU 16 2HD2 LEU 16 -5.697 -6.900 -2.433 124 HD23 LEU 16 3HD2 LEU 16 -4.438 -7.426 -1.290 125 H ASP 17 HN ASP 17 -6.117 -10.204 -6.594 126 HA ASP 17 HA ASP 17 -8.680 -9.120 -6.912 127 HB2 ASP 17 2HB ASP 17 -6.843 -9.771 -8.678 128 HB3 ASP 17 3HB ASP 17 -7.526 -11.382 -8.582 129 HD2 ASP 17 HD2 ASP 17 -10.079 -8.569 -9.786 130 H GLY 18 HN GLY 18 -7.420 -11.985 -5.425 131 HA2 GLY 18 1HA GLY 18 -9.629 -13.742 -5.978 132 HA3 GLY 18 2HA GLY 18 -8.307 -13.997 -4.856 133 H CYS 19 HN CYS 19 -8.856 -11.197 -3.643 134 HA CYS 19 HA CYS 19 -11.092 -12.102 -1.987 135 HB2 CYS 19 2HB CYS 19 -9.174 -11.920 -0.618 136 HB3 CYS 19 3HB CYS 19 -8.661 -10.419 -1.365 137 HG CYS 19 HG CYS 19 -10.612 -8.939 -0.539 138 H LYS 20 HN LYS 20 -9.900 -9.738 -4.276 139 HA LYS 20 HA LYS 20 -11.106 -7.422 -3.683 140 HB2 LYS 20 2HB LYS 20 -10.541 -8.870 -6.224 141 HB3 LYS 20 3HB LYS 20 -11.613 -7.488 -6.326 142 HG2 LYS 20 2HG LYS 20 -9.049 -7.219 -4.745 143 HG3 LYS 20 3HG LYS 20 -8.964 -7.183 -6.495 144 HD2 LYS 20 2HD LYS 20 -9.240 -4.903 -5.939 145 HD3 LYS 20 3HD LYS 20 -10.865 -5.397 -6.369 146 HE2 LYS 20 2HE LYS 20 -11.611 -5.404 -4.132 147 HE3 LYS 20 3HE LYS 20 -10.003 -5.663 -3.484 148 HZ1 LYS 20 1HZ LYS 20 -10.166 -3.195 -4.924 149 HZ2 LYS 20 2HZ LYS 20 -11.255 -3.236 -3.713 150 H ALA 21 HN ALA 21 -12.683 -10.487 -4.499 151 HA ALA 21 HA ALA 21 -15.221 -9.366 -5.063 152 HB1 ALA 21 1HB ALA 21 -14.982 -11.497 -5.926 153 HB2 ALA 21 2HB ALA 21 -14.061 -12.082 -4.520 154 HB3 ALA 21 3HB ALA 21 -15.825 -11.878 -4.405 155 H ALA 22 HN ALA 22 -15.918 -7.920 -3.478 156 HA ALA 22 HA ALA 22 -15.575 -8.006 -0.817 157 HB1 ALA 22 1HB ALA 22 -18.313 -7.361 -1.891 158 HB2 ALA 22 2HB ALA 22 -17.321 -6.475 -0.709 159 HB3 ALA 22 3HB ALA 22 -16.916 -6.405 -2.441 160 H GLY 23 HN GLY 23 -16.434 -9.062 0.984 161 HA2 GLY 23 1HA GLY 23 -17.431 -10.704 2.150 162 HA3 GLY 23 2HA GLY 23 -18.726 -10.669 0.969 163 H SER 24 HN SER 24 -15.468 -11.236 -0.239 164 HA SER 24 HA SER 24 -16.044 -14.089 -0.305 165 HB2 SER 24 2HB SER 24 -16.415 -12.657 -2.519 166 HB3 SER 24 3HB SER 24 -14.669 -12.746 -2.637 167 HG SER 24 HG SER 24 -14.738 -14.944 -2.903 168 H PHE 25 HN PHE 25 -14.216 -11.967 1.179 169 HA PHE 25 HA PHE 25 -11.583 -12.468 0.402 170 HB2 PHE 25 2HB PHE 25 -12.366 -10.613 1.895 171 HB3 PHE 25 3HB PHE 25 -12.938 -11.774 3.076 172 HD1 PHE 25 HD1 PHE 25 -9.740 -12.250 1.347 173 HD2 PHE 25 HD2 PHE 25 -11.631 -10.814 4.864 174 HE1 PHE 25 HE1 PHE 25 -7.516 -12.165 2.508 175 HE2 PHE 25 HE2 PHE 25 -9.407 -10.729 6.025 176 HZ PHE 25 HZ PHE 25 -7.376 -11.405 4.833 177 H ASP 26 HN ASP 26 -10.528 -14.393 0.390 178 HA ASP 26 HA ASP 26 -11.285 -16.276 2.481 179 HB2 ASP 26 2HB ASP 26 -10.294 -16.612 -0.363 180 HB3 ASP 26 3HB ASP 26 -10.016 -17.897 0.796 181 HD2 ASP 26 HD2 ASP 26 -13.357 -18.855 0.886 182 H HIS 27 HN HIS 27 -9.699 -14.973 3.870 183 HA HIS 27 HA HIS 27 -7.140 -14.419 3.373 184 HB2 HIS 27 2HB HIS 27 -6.723 -14.903 5.817 185 HB3 HIS 27 3HB HIS 27 -8.045 -13.811 5.454 186 HD1 HIS 27 HD1 HIS 27 -7.386 -17.370 6.607 187 HD2 HIS 27 HD2 HIS 27 -10.562 -14.645 6.315 188 HE1 HIS 27 HE1 HIS 27 -9.338 -18.409 7.879 189 H LYS 28 HN LYS 28 -8.384 -17.657 4.436 190 HA LYS 28 HA LYS 28 -5.978 -18.967 4.547 191 HB2 LYS 28 2HB LYS 28 -8.795 -19.838 3.946 192 HB3 LYS 28 3HB LYS 28 -7.481 -20.994 3.861 193 HG2 LYS 28 2HG LYS 28 -6.835 -19.936 6.242 194 HG3 LYS 28 3HG LYS 28 -8.528 -19.482 6.257 195 HD2 LYS 28 2HD LYS 28 -8.995 -21.980 5.610 196 HD3 LYS 28 3HD LYS 28 -7.340 -22.276 6.105 197 HE2 LYS 28 2HE LYS 28 -9.232 -20.773 7.945 198 HE3 LYS 28 3HE LYS 28 -9.279 -22.523 7.878 199 HZ1 LYS 28 1HZ LYS 28 -7.494 -22.535 9.217 200 HZ2 LYS 28 2HZ LYS 28 -6.593 -21.775 8.093 201 H LYS 29 HN LYS 29 -8.148 -18.450 1.695 202 HA LYS 29 HA LYS 29 -6.569 -19.880 -0.103 203 HB2 LYS 29 2HB LYS 29 -8.532 -17.608 -0.514 204 HB3 LYS 29 3HB LYS 29 -7.818 -18.529 -1.821 205 HG2 LYS 29 2HG LYS 29 -9.158 -20.013 0.451 206 HG3 LYS 29 3HG LYS 29 -10.159 -19.254 -0.771 207 HD2 LYS 29 2HD LYS 29 -9.857 -21.347 -1.748 208 HD3 LYS 29 3HD LYS 29 -8.512 -20.485 -2.468 209 HE2 LYS 29 2HE LYS 29 -6.916 -21.578 -1.160 210 HE3 LYS 29 3HE LYS 29 -8.011 -21.803 0.189 211 HZ1 LYS 29 1HZ LYS 29 -8.154 -23.304 -2.372 212 HZ2 LYS 29 2HZ LYS 29 -7.599 -23.902 -0.962 213 H PHE 30 HN PHE 30 -6.756 -16.292 0.469 214 HA PHE 30 HA PHE 30 -4.904 -15.391 -1.202 215 HB2 PHE 30 2HB PHE 30 -6.252 -14.351 0.856 216 HB3 PHE 30 3HB PHE 30 -4.807 -14.707 1.781 217 HD1 PHE 30 HD1 PHE 30 -6.412 -12.119 0.345 218 HD2 PHE 30 HD2 PHE 30 -2.586 -13.950 0.221 219 HE1 PHE 30 HE1 PHE 30 -5.397 -9.949 -0.406 220 HE2 PHE 30 HE2 PHE 30 -1.571 -11.780 -0.529 221 HZ PHE 30 HZ PHE 30 -2.989 -9.806 -0.834 222 H PHE 31 HN PHE 31 -4.016 -16.446 2.171 223 HA PHE 31 HA PHE 31 -1.297 -16.307 1.811 224 HB2 PHE 31 2HB PHE 31 -3.167 -18.094 3.464 225 HB3 PHE 31 3HB PHE 31 -1.430 -18.156 3.688 226 HD1 PHE 31 HD1 PHE 31 -0.764 -15.256 3.425 227 HD2 PHE 31 HD2 PHE 31 -3.923 -17.202 5.485 228 HE1 PHE 31 HE1 PHE 31 -0.902 -13.332 5.031 229 HE2 PHE 31 HE2 PHE 31 -4.061 -15.278 7.091 230 HZ PHE 31 HZ PHE 31 -2.549 -13.366 6.844 231 H LYS 32 HN LYS 32 -3.597 -18.958 1.028 232 HA LYS 32 HA LYS 32 -1.549 -20.832 0.441 233 HB2 LYS 32 2HB LYS 32 -3.953 -21.307 1.133 234 HB3 LYS 32 3HB LYS 32 -4.424 -20.890 -0.502 235 HG2 LYS 32 2HG LYS 32 -2.759 -22.626 -1.349 236 HG3 LYS 32 3HG LYS 32 -2.488 -23.106 0.315 237 HD2 LYS 32 2HD LYS 32 -5.111 -23.370 0.422 238 HD3 LYS 32 3HD LYS 32 -5.028 -23.368 -1.328 239 HE2 LYS 32 2HE LYS 32 -4.902 -25.676 -0.707 240 HE3 LYS 32 3HE LYS 32 -3.261 -25.234 -1.133 241 HZ1 LYS 32 1HZ LYS 32 -4.305 -25.285 1.649 242 HZ2 LYS 32 2HZ LYS 32 -3.367 -26.442 0.991 243 H ALA 33 HN ALA 33 -2.959 -18.099 -1.214 244 HA ALA 33 HA ALA 33 -2.362 -19.042 -3.846 245 HB1 ALA 33 1HB ALA 33 -2.649 -16.130 -3.337 246 HB2 ALA 33 2HB ALA 33 -3.499 -17.179 -4.497 247 HB3 ALA 33 3HB ALA 33 -4.013 -17.136 -2.793 248 H CYS 34 HN CYS 34 -1.008 -16.365 -1.781 249 HA CYS 34 HA CYS 34 1.232 -16.036 -3.430 250 HB2 CYS 34 2HB CYS 34 2.133 -14.724 -1.465 251 HB3 CYS 34 3HB CYS 34 0.583 -14.193 -2.086 252 HG CYS 34 HG CYS 34 -0.267 -14.086 0.141 253 H GLY 35 HN GLY 35 0.315 -18.366 -0.996 254 HA2 GLY 35 1HA GLY 35 1.499 -20.382 -0.759 255 HA3 GLY 35 2HA GLY 35 2.998 -19.560 -1.145 256 H LEU 36 HN LEU 36 1.798 -17.249 0.725 257 HA LEU 36 HA LEU 36 3.392 -17.552 2.855 258 HB2 LEU 36 2HB LEU 36 0.747 -16.214 2.471 259 HB3 LEU 36 3HB LEU 36 1.450 -16.257 4.075 260 HG LEU 36 HG LEU 36 3.105 -15.282 1.765 261 HD11 LEU 36 1HD1 LEU 36 1.820 -13.525 1.350 262 HD12 LEU 36 2HD1 LEU 36 0.613 -14.117 2.517 263 HD13 LEU 36 3HD1 LEU 36 1.921 -13.038 3.059 264 HD21 LEU 36 1HD2 LEU 36 3.806 -15.709 4.293 265 HD22 LEU 36 2HD2 LEU 36 4.464 -14.358 3.340 266 HD23 LEU 36 3HD2 LEU 36 3.136 -14.072 4.489 267 H SER 37 HN SER 37 0.369 -19.283 2.203 268 HA SER 37 HA SER 37 -0.011 -20.180 4.824 269 HB2 SER 37 2HB SER 37 -1.697 -20.156 2.888 270 HB3 SER 37 3HB SER 37 -0.894 -21.586 2.270 271 HG SER 37 HG SER 37 -2.418 -21.268 4.681 272 H GLY 38 HN GLY 38 1.861 -21.102 5.742 273 HA2 GLY 38 1HA GLY 38 2.762 -23.271 6.197 274 HA3 GLY 38 2HA GLY 38 2.754 -23.619 4.480 275 H LYS 39 HN LYS 39 3.619 -20.424 4.552 276 HA LYS 39 HA LYS 39 6.236 -20.868 3.790 277 HB2 LYS 39 2HB LYS 39 4.590 -18.504 4.558 278 HB3 LYS 39 3HB LYS 39 6.329 -18.290 4.539 279 HG2 LYS 39 2HG LYS 39 4.624 -19.333 2.228 280 HG3 LYS 39 3HG LYS 39 5.367 -17.749 2.325 281 HD2 LYS 39 2HD LYS 39 7.591 -19.256 2.711 282 HD3 LYS 39 3HD LYS 39 6.645 -20.422 1.808 283 HE2 LYS 39 2HE LYS 39 6.214 -18.472 0.113 284 HE3 LYS 39 3HE LYS 39 7.530 -17.648 0.926 285 HZ1 LYS 39 1HZ LYS 39 8.860 -18.844 -0.423 286 HZ2 LYS 39 2HZ LYS 39 8.510 -20.164 0.463 287 H SER 40 HN SER 40 8.063 -19.422 5.100 288 HA SER 40 HA SER 40 8.463 -21.007 7.418 289 HB2 SER 40 2HB SER 40 10.138 -19.862 5.586 290 HB3 SER 40 3HB SER 40 10.259 -18.679 6.873 291 HG SER 40 HG SER 40 10.825 -21.511 7.027 292 H THR 41 HN THR 41 8.510 -20.309 9.614 293 HA THR 41 HA THR 41 6.733 -18.246 10.289 294 HB THR 41 HB THR 41 8.751 -19.994 11.750 295 HG1 THR 41 HG1 THR 41 6.836 -21.102 11.667 296 HG21 THR 41 1HG2 THR 41 8.368 -17.610 12.858 297 HG22 THR 41 2HG2 THR 41 6.733 -18.233 13.183 298 HG23 THR 41 3HG2 THR 41 8.153 -19.070 13.852 299 H ASP 42 HN ASP 42 10.073 -18.169 9.341 300 HA ASP 42 HA ASP 42 10.751 -15.875 10.810 301 HB2 ASP 42 2HB ASP 42 11.893 -17.166 8.295 302 HB3 ASP 42 3HB ASP 42 12.610 -15.737 9.012 303 HD2 ASP 42 HD2 ASP 42 11.870 -18.245 11.599 304 H GLU 43 HN GLU 43 10.133 -16.461 7.256 305 HA GLU 43 HA GLU 43 10.068 -13.795 6.566 306 HB2 GLU 43 2HB GLU 43 9.364 -14.534 4.441 307 HB3 GLU 43 3HB GLU 43 10.213 -15.926 5.083 308 HG2 GLU 43 2HG GLU 43 8.049 -16.927 5.813 309 HG3 GLU 43 3HG GLU 43 7.186 -15.522 5.218 310 HE2 GLU 43 HE2 GLU 43 6.974 -15.408 2.873 311 H VAL 44 HN VAL 44 7.445 -16.055 7.584 312 HA VAL 44 HA VAL 44 5.235 -14.599 7.040 313 HB VAL 44 HB VAL 44 5.926 -16.247 9.476 314 HG11 VAL 44 1HG1 VAL 44 3.320 -14.986 8.630 315 HG12 VAL 44 2HG1 VAL 44 3.344 -16.504 9.560 316 HG13 VAL 44 3HG1 VAL 44 4.082 -15.033 10.238 317 HG21 VAL 44 1HG2 VAL 44 4.067 -17.196 7.348 318 HG22 VAL 44 2HG2 VAL 44 5.795 -17.099 6.932 319 HG23 VAL 44 3HG2 VAL 44 5.266 -18.092 8.311 320 H LYS 45 HN LYS 45 7.593 -14.099 9.712 321 HA LYS 45 HA LYS 45 6.076 -12.064 10.956 322 HB2 LYS 45 2HB LYS 45 9.040 -12.680 11.142 323 HB3 LYS 45 3HB LYS 45 8.131 -11.660 12.238 324 HG2 LYS 45 2HG LYS 45 6.952 -13.469 13.176 325 HG3 LYS 45 3HG LYS 45 7.133 -14.468 11.748 326 HD2 LYS 45 2HD LYS 45 9.483 -14.886 12.234 327 HD3 LYS 45 3HD LYS 45 9.499 -13.675 13.501 328 HE2 LYS 45 2HE LYS 45 7.531 -15.960 13.721 329 HE3 LYS 45 3HE LYS 45 9.217 -16.274 14.081 330 HZ1 LYS 45 1HZ LYS 45 7.572 -15.352 15.915 331 HZ2 LYS 45 2HZ LYS 45 9.142 -14.921 15.922 332 H LYS 46 HN LYS 46 8.667 -12.138 8.462 333 HA LYS 46 HA LYS 46 8.994 -9.343 8.375 334 HB2 LYS 46 2HB LYS 46 9.555 -11.256 6.105 335 HB3 LYS 46 3HB LYS 46 10.358 -9.745 6.479 336 HG2 LYS 46 2HG LYS 46 10.539 -12.385 7.975 337 HG3 LYS 46 3HG LYS 46 11.842 -11.458 7.257 338 HD2 LYS 46 2HD LYS 46 10.207 -10.692 9.719 339 HD3 LYS 46 3HD LYS 46 11.893 -11.169 9.692 340 HE2 LYS 46 2HE LYS 46 12.556 -9.152 8.539 341 HE3 LYS 46 3HE LYS 46 10.901 -8.751 8.127 342 HZ1 LYS 46 1HZ LYS 46 10.589 -8.703 10.693 343 HZ2 LYS 46 2HZ LYS 46 12.209 -8.545 10.758 344 H ALA 47 HN ALA 47 6.513 -11.514 7.235 345 HA ALA 47 HA ALA 47 5.600 -9.688 5.192 346 HB1 ALA 47 1HB ALA 47 4.892 -12.425 6.202 347 HB2 ALA 47 2HB ALA 47 3.642 -11.497 5.338 348 HB3 ALA 47 3HB ALA 47 5.189 -11.865 4.538 349 H PHE 48 HN PHE 48 4.864 -10.637 8.565 350 HA PHE 48 HA PHE 48 2.390 -9.322 8.711 351 HB2 PHE 48 2HB PHE 48 3.011 -10.972 10.381 352 HB3 PHE 48 3HB PHE 48 4.589 -10.248 10.622 353 HD1 PHE 48 HD1 PHE 48 4.778 -8.109 11.898 354 HD2 PHE 48 HD2 PHE 48 1.126 -10.254 11.642 355 HE1 PHE 48 HE1 PHE 48 3.898 -6.846 13.880 356 HE2 PHE 48 HE2 PHE 48 0.245 -8.991 13.624 357 HZ PHE 48 HZ PHE 48 1.641 -7.302 14.720 358 H ALA 49 HN ALA 49 5.689 -8.165 8.648 359 HA ALA 49 HA ALA 49 5.037 -5.700 10.013 360 HB1 ALA 49 1HB ALA 49 7.411 -7.207 9.267 361 HB2 ALA 49 2HB ALA 49 7.554 -5.507 8.759 362 HB3 ALA 49 3HB ALA 49 7.231 -5.902 10.464 363 H ILE 50 HN ILE 50 4.490 -7.030 6.955 364 HA ILE 50 HA ILE 50 5.102 -4.733 5.383 365 HB ILE 50 HB ILE 50 3.404 -7.166 4.821 366 HG12 ILE 50 2HG1 ILE 50 5.885 -7.478 5.374 367 HG13 ILE 50 3HG1 ILE 50 5.284 -8.184 3.887 368 HG21 ILE 50 1HG2 ILE 50 2.669 -5.929 3.099 369 HG22 ILE 50 2HG2 ILE 50 3.983 -4.739 3.252 370 HG23 ILE 50 3HG2 ILE 50 4.268 -6.274 2.398 371 HD11 ILE 50 1HD1 ILE 50 7.504 -6.870 3.741 372 HD12 ILE 50 2HD1 ILE 50 6.259 -6.469 2.533 373 HD13 ILE 50 3HD1 ILE 50 6.515 -5.403 3.935 374 H ILE 51 HN ILE 51 2.057 -6.209 6.695 375 HA ILE 51 HA ILE 51 0.406 -4.153 5.742 376 HB ILE 51 HB ILE 51 -0.143 -5.869 8.151 377 HG12 ILE 51 2HG1 ILE 51 -1.106 -7.130 5.786 378 HG13 ILE 51 3HG1 ILE 51 0.594 -6.789 5.534 379 HG21 ILE 51 1HG2 ILE 51 -1.654 -3.957 6.821 380 HG22 ILE 51 2HG2 ILE 51 -2.252 -5.504 6.175 381 HG23 ILE 51 3HG2 ILE 51 -2.258 -5.210 7.931 382 HD11 ILE 51 1HD1 ILE 51 0.672 -7.706 8.118 383 HD12 ILE 51 2HD1 ILE 51 -0.701 -8.639 7.477 384 HD13 ILE 51 3HD1 ILE 51 0.892 -8.746 6.691 385 H ASP 52 HN ASP 52 1.881 -4.759 9.003 386 HA ASP 52 HA ASP 52 0.893 -2.780 10.419 387 HB2 ASP 52 2HB ASP 52 3.833 -3.562 10.174 388 HB3 ASP 52 3HB ASP 52 3.229 -2.531 11.456 389 HD2 ASP 52 HD2 ASP 52 4.381 -5.175 11.957 390 H GLN 53 HN GLN 53 0.411 -0.713 9.600 391 HA GLN 53 HA GLN 53 2.411 0.565 7.953 392 HB2 GLN 53 2HB GLN 53 -0.335 1.664 8.654 393 HB3 GLN 53 3HB GLN 53 0.675 2.089 7.287 394 HG2 GLN 53 2HG GLN 53 0.459 -0.348 6.503 395 HG3 GLN 53 3HG GLN 53 -0.742 -0.571 7.759 396 HE21 GLN 53 1HE2 GLN 53 -2.761 0.227 7.543 397 HE22 GLN 53 2HE2 GLN 53 -3.370 1.017 6.128 398 H ASP 54 HN ASP 54 1.074 0.604 11.107 399 HA ASP 54 HA ASP 54 2.486 3.163 11.777 400 HB2 ASP 54 2HB ASP 54 0.877 3.303 13.602 401 HB3 ASP 54 3HB ASP 54 -0.003 2.975 12.111 402 H LYS 55 HN LYS 55 2.678 -0.311 12.093 403 HA LYS 55 HA LYS 55 3.860 -1.653 13.391 404 HB2 LYS 55 2HB LYS 55 5.756 0.557 14.101 405 HB3 LYS 55 3HB LYS 55 6.089 -1.109 13.673 406 HG2 LYS 55 2HG LYS 55 5.161 1.102 11.784 407 HG3 LYS 55 3HG LYS 55 6.744 0.352 11.813 408 HD2 LYS 55 2HD LYS 55 5.288 -1.894 11.481 409 HD3 LYS 55 3HD LYS 55 4.129 -0.764 10.811 410 HE2 LYS 55 2HE LYS 55 5.649 -1.692 9.056 411 HE3 LYS 55 3HE LYS 55 5.779 0.051 9.178 412 HZ1 LYS 55 1HZ LYS 55 7.922 -1.429 9.192 413 HZ2 LYS 55 2HZ LYS 55 7.863 -0.107 10.142 414 H SER 56 HN SER 56 1.636 -1.031 14.678 415 HA SER 56 HA SER 56 2.165 0.276 17.140 416 HB2 SER 56 2HB SER 56 -0.216 -0.956 17.576 417 HB3 SER 56 3HB SER 56 -0.064 0.552 16.697 418 HG SER 56 HG SER 56 -0.869 -0.450 14.996 419 H GLY 57 HN GLY 57 3.012 -2.735 15.906 420 HA2 GLY 57 1HA GLY 57 4.219 -4.293 17.156 421 HA3 GLY 57 2HA GLY 57 3.355 -3.824 18.607 422 H PHE 58 HN PHE 58 0.760 -3.820 16.808 423 HA PHE 58 HA PHE 58 0.477 -6.696 16.459 424 HB2 PHE 58 2HB PHE 58 -1.330 -4.844 18.129 425 HB3 PHE 58 3HB PHE 58 -1.680 -6.530 17.802 426 HD1 PHE 58 HD1 PHE 58 -1.089 -8.094 19.392 427 HD2 PHE 58 HD2 PHE 58 1.034 -4.422 19.265 428 HE1 PHE 58 HE1 PHE 58 0.182 -8.757 21.453 429 HE2 PHE 58 HE2 PHE 58 2.305 -5.085 21.325 430 HZ PHE 58 HZ PHE 58 1.864 -7.245 22.394 431 H ILE 59 HN ILE 59 -2.137 -6.942 15.810 432 HA ILE 59 HA ILE 59 -2.638 -4.833 13.835 433 HB ILE 59 HB ILE 59 -2.606 -7.816 13.403 434 HG12 ILE 59 2HG1 ILE 59 -1.175 -5.538 12.002 435 HG13 ILE 59 3HG1 ILE 59 -0.455 -6.635 13.164 436 HG21 ILE 59 1HG2 ILE 59 -3.314 -6.357 11.035 437 HG22 ILE 59 2HG2 ILE 59 -4.185 -7.676 11.854 438 HG23 ILE 59 3HG2 ILE 59 -4.475 -5.986 12.331 439 HD11 ILE 59 1HD1 ILE 59 0.102 -7.493 10.984 440 HD12 ILE 59 2HD1 ILE 59 -1.166 -8.564 11.628 441 HD13 ILE 59 3HD1 ILE 59 -1.577 -7.326 10.417 442 H GLU 60 HN GLU 60 -4.061 -4.022 15.581 443 HA GLU 60 HA GLU 60 -6.054 -5.507 16.710 444 HB2 GLU 60 2HB GLU 60 -6.036 -2.550 15.961 445 HB3 GLU 60 3HB GLU 60 -7.213 -3.282 17.033 446 HG2 GLU 60 2HG GLU 60 -5.684 -2.615 18.633 447 HG3 GLU 60 3HG GLU 60 -4.994 -4.184 18.270 448 HE2 GLU 60 HE2 GLU 60 -2.132 -2.821 16.877 449 H GLU 61 HN GLU 61 -8.439 -5.492 16.282 450 HA GLU 61 HA GLU 61 -9.056 -6.482 13.864 451 HB2 GLU 61 2HB GLU 61 -10.545 -6.662 15.795 452 HB3 GLU 61 3HB GLU 61 -10.835 -4.934 15.796 453 HG2 GLU 61 2HG GLU 61 -11.686 -5.309 13.328 454 HG3 GLU 61 3HG GLU 61 -11.779 -7.000 13.780 455 HE2 GLU 61 HE2 GLU 61 -13.689 -4.687 16.338 456 H GLU 62 HN GLU 62 -8.883 -3.054 14.850 457 HA GLU 62 HA GLU 62 -10.249 -2.014 12.671 458 HB2 GLU 62 2HB GLU 62 -7.962 -0.644 14.139 459 HB3 GLU 62 3HB GLU 62 -9.323 0.118 13.340 460 HG2 GLU 62 2HG GLU 62 -10.309 0.136 15.395 461 HG3 GLU 62 3HG GLU 62 -10.612 -1.569 15.126 462 HE2 GLU 62 HE2 GLU 62 -10.026 -2.199 17.521 463 H GLU 63 HN GLU 63 -6.836 -2.994 13.169 464 HA GLU 63 HA GLU 63 -6.076 -1.910 10.635 465 HB2 GLU 63 2HB GLU 63 -4.598 -3.584 12.707 466 HB3 GLU 63 3HB GLU 63 -3.860 -3.054 11.209 467 HG2 GLU 63 2HG GLU 63 -4.731 -0.652 11.967 468 HG3 GLU 63 3HG GLU 63 -4.784 -1.384 13.558 469 H LEU 64 HN LEU 64 -7.255 -4.947 11.974 470 HA LEU 64 HA LEU 64 -6.223 -6.769 10.193 471 HB2 LEU 64 2HB LEU 64 -8.642 -6.571 11.902 472 HB3 LEU 64 3HB LEU 64 -8.663 -7.790 10.643 473 HG LEU 64 HG LEU 64 -6.482 -7.547 12.732 474 HD11 LEU 64 1HD1 LEU 64 -8.120 -9.891 13.034 475 HD12 LEU 64 2HD1 LEU 64 -7.761 -8.600 14.205 476 HD13 LEU 64 3HD1 LEU 64 -9.138 -8.432 13.089 477 HD21 LEU 64 1HD2 LEU 64 -5.462 -9.347 11.820 478 HD22 LEU 64 2HD2 LEU 64 -6.990 -10.087 11.284 479 HD23 LEU 64 3HD2 LEU 64 -6.264 -8.761 10.343 480 H LYS 65 HN LYS 65 -9.240 -4.774 9.905 481 HA LYS 65 HA LYS 65 -9.990 -5.742 7.419 482 HB2 LYS 65 2HB LYS 65 -11.605 -4.114 7.467 483 HB3 LYS 65 3HB LYS 65 -11.205 -4.217 9.169 484 HG2 LYS 65 2HG LYS 65 -9.702 -2.269 8.984 485 HG3 LYS 65 3HG LYS 65 -9.939 -2.207 7.249 486 HD2 LYS 65 2HD LYS 65 -11.380 -0.527 8.260 487 HD3 LYS 65 3HD LYS 65 -12.402 -1.804 7.631 488 HE2 LYS 65 2HE LYS 65 -13.233 -1.294 9.838 489 HE3 LYS 65 3HE LYS 65 -12.417 -2.840 9.965 490 HZ1 LYS 65 1HZ LYS 65 -10.600 -0.686 10.419 491 HZ2 LYS 65 2HZ LYS 65 -11.855 -0.596 11.452 492 H LEU 66 HN LEU 66 -7.273 -3.806 8.355 493 HA LEU 66 HA LEU 66 -6.992 -2.698 5.680 494 HB2 LEU 66 2HB LEU 66 -5.113 -2.337 8.002 495 HB3 LEU 66 3HB LEU 66 -5.292 -1.335 6.576 496 HG LEU 66 HG LEU 66 -7.323 -1.617 8.808 497 HD11 LEU 66 1HD1 LEU 66 -5.739 0.856 8.121 498 HD12 LEU 66 2HD1 LEU 66 -6.664 0.488 9.597 499 HD13 LEU 66 3HD1 LEU 66 -5.136 -0.365 9.268 500 HD21 LEU 66 1HD2 LEU 66 -8.845 -0.560 7.572 501 HD22 LEU 66 2HD2 LEU 66 -7.662 0.633 6.983 502 HD23 LEU 66 3HD2 LEU 66 -7.820 -0.941 6.168 503 H PHE 67 HN PHE 67 -6.921 -5.640 6.210 504 HA PHE 67 HA PHE 67 -4.154 -6.356 6.009 505 HB2 PHE 67 2HB PHE 67 -5.805 -7.827 7.116 506 HB3 PHE 67 3HB PHE 67 -6.871 -7.759 5.726 507 HD1 PHE 67 HD1 PHE 67 -3.558 -9.005 6.842 508 HD2 PHE 67 HD2 PHE 67 -6.701 -9.354 4.013 509 HE1 PHE 67 HE1 PHE 67 -2.512 -11.100 5.939 510 HE2 PHE 67 HE2 PHE 67 -5.655 -11.449 3.109 511 HZ PHE 67 HZ PHE 67 -3.573 -12.297 4.083 512 H LEU 68 HN LEU 68 -6.007 -4.736 3.878 513 HA LEU 68 HA LEU 68 -4.961 -6.257 1.591 514 HB2 LEU 68 2HB LEU 68 -7.548 -4.780 1.972 515 HB3 LEU 68 3HB LEU 68 -6.872 -5.008 0.371 516 HG LEU 68 HG LEU 68 -7.826 -7.120 2.309 517 HD11 LEU 68 1HD1 LEU 68 -8.891 -5.830 -0.079 518 HD12 LEU 68 2HD1 LEU 68 -8.873 -7.605 -0.211 519 HD13 LEU 68 3HD1 LEU 68 -9.706 -6.823 1.153 520 HD21 LEU 68 1HD2 LEU 68 -5.848 -8.103 1.528 521 HD22 LEU 68 2HD2 LEU 68 -7.119 -8.747 0.461 522 HD23 LEU 68 3HD2 LEU 68 -6.054 -7.441 -0.111 523 H GLN 69 HN GLN 69 -4.631 -3.517 3.542 524 HA GLN 69 HA GLN 69 -3.863 -1.813 1.345 525 HB2 GLN 69 2HB GLN 69 -4.238 -1.420 4.323 526 HB3 GLN 69 3HB GLN 69 -3.329 -0.240 3.399 527 HG2 GLN 69 2HG GLN 69 -5.203 0.319 2.028 528 HG3 GLN 69 3HG GLN 69 -6.063 -1.151 2.440 529 HE21 GLN 69 1HE2 GLN 69 -7.882 -0.323 3.261 530 HE22 GLN 69 2HE2 GLN 69 -7.992 0.665 4.679 531 H ASN 70 HN ASN 70 -2.475 -4.368 2.882 532 HA ASN 70 HA ASN 70 0.050 -3.188 3.469 533 HB2 ASN 70 2HB ASN 70 0.728 -5.460 4.069 534 HB3 ASN 70 3HB ASN 70 -0.896 -5.213 4.682 535 HD21 ASN 70 1HD2 ASN 70 -2.678 -6.115 3.594 536 HD22 ASN 70 2HD2 ASN 70 -2.521 -7.490 2.552 537 H PHE 71 HN PHE 71 -1.450 -5.361 0.983 538 HA PHE 71 HA PHE 71 0.990 -5.498 -0.526 539 HB2 PHE 71 2HB PHE 71 -1.922 -6.290 -1.136 540 HB3 PHE 71 3HB PHE 71 -0.528 -6.840 -2.043 541 HD1 PHE 71 HD1 PHE 71 -2.812 -7.802 0.346 542 HD2 PHE 71 HD2 PHE 71 1.361 -7.932 -0.412 543 HE1 PHE 71 HE1 PHE 71 -2.595 -9.780 1.876 544 HE2 PHE 71 HE2 PHE 71 1.578 -9.910 1.119 545 HZ PHE 71 HZ PHE 71 -0.403 -10.810 2.244 546 H LYS 72 HN LYS 72 -1.025 -2.978 -0.019 547 HA LYS 72 HA LYS 72 -0.231 -1.604 -2.309 548 HB2 LYS 72 2HB LYS 72 -1.903 -3.164 -3.370 549 HB3 LYS 72 3HB LYS 72 -3.152 -2.401 -2.408 550 HG2 LYS 72 2HG LYS 72 -3.308 -1.046 -4.273 551 HG3 LYS 72 3HG LYS 72 -2.058 -0.155 -3.429 552 HD2 LYS 72 2HD LYS 72 -0.298 -1.222 -4.735 553 HD3 LYS 72 3HD LYS 72 -1.426 -2.372 -5.426 554 HE2 LYS 72 2HE LYS 72 -0.986 -0.621 -7.077 555 HE3 LYS 72 3HE LYS 72 -2.649 -0.479 -6.542 556 HZ1 LYS 72 1HZ LYS 72 -2.131 1.634 -6.025 557 HZ2 LYS 72 2HZ LYS 72 -1.213 1.091 -4.794 558 H ALA 73 HN ALA 73 -0.793 0.643 -2.167 559 HA ALA 73 HA ALA 73 -1.813 1.318 0.491 560 HB1 ALA 73 1HB ALA 73 0.349 2.243 -1.197 561 HB2 ALA 73 2HB ALA 73 -0.752 3.593 -0.831 562 HB3 ALA 73 3HB ALA 73 -0.013 2.662 0.494 563 H GLY 74 HN GLY 74 -3.995 0.631 -0.605 564 HA2 GLY 74 1HA GLY 74 -5.539 2.916 -0.988 565 HA3 GLY 74 2HA GLY 74 -5.129 2.305 -2.579 566 H ALA 75 HN ALA 75 -4.949 -0.547 -1.737 567 HA ALA 75 HA ALA 75 -7.362 -1.486 -2.394 568 HB1 ALA 75 1HB ALA 75 -6.202 -3.382 -2.083 569 HB2 ALA 75 2HB ALA 75 -4.966 -2.480 -1.174 570 HB3 ALA 75 3HB ALA 75 -6.357 -3.192 -0.320 571 H ARG 76 HN ARG 76 -9.383 -1.796 -1.491 572 HA ARG 76 HA ARG 76 -10.134 -0.163 0.562 573 HB2 ARG 76 2HB ARG 76 -12.279 -1.402 0.515 574 HB3 ARG 76 3HB ARG 76 -11.694 -1.152 -1.117 575 HG2 ARG 76 2HG ARG 76 -11.076 -3.413 -1.397 576 HG3 ARG 76 3HG ARG 76 -10.910 -3.691 0.325 577 HD2 ARG 76 2HD ARG 76 -13.213 -3.986 0.650 578 HD3 ARG 76 3HD ARG 76 -13.649 -2.951 -0.695 579 HE ARG 76 HE ARG 76 -13.361 -4.768 -2.197 580 HH11 ARG 76 HH1 ARG 76 -12.819 -8.126 -1.494 581 HH21 ARG 76 1HH2 ARG 76 -12.269 -7.370 0.713 582 HH22 ARG 76 2HH2 ARG 76 -12.340 -5.677 1.072 583 H ALA 77 HN ALA 77 -11.660 -1.521 2.444 584 HA ALA 77 HA ALA 77 -9.680 -3.224 3.799 585 HB1 ALA 77 1HB ALA 77 -9.625 -1.586 5.348 586 HB2 ALA 77 2HB ALA 77 -11.008 -0.742 4.612 587 HB3 ALA 77 3HB ALA 77 -11.286 -2.065 5.769 588 H LEU 78 HN LEU 78 -10.429 -5.149 4.670 589 HA LEU 78 HA LEU 78 -12.596 -6.375 3.608 590 HB2 LEU 78 2HB LEU 78 -11.245 -6.792 6.272 591 HB3 LEU 78 3HB LEU 78 -12.460 -7.879 5.632 592 HG LEU 78 HG LEU 78 -10.443 -8.902 5.082 593 HD11 LEU 78 1HD1 LEU 78 -11.127 -7.296 2.605 594 HD12 LEU 78 2HD1 LEU 78 -10.285 -8.864 2.667 595 HD13 LEU 78 3HD1 LEU 78 -11.991 -8.749 3.164 596 HD21 LEU 78 1HD2 LEU 78 -8.440 -7.903 4.500 597 HD22 LEU 78 2HD2 LEU 78 -9.229 -6.446 3.850 598 HD23 LEU 78 3HD2 LEU 78 -9.151 -6.707 5.609 599 H SER 79 HN SER 79 -14.761 -6.837 4.290 600 HA SER 79 HA SER 79 -16.082 -4.609 5.255 601 HB2 SER 79 2HB SER 79 -17.193 -6.225 3.811 602 HB3 SER 79 3HB SER 79 -16.953 -7.515 4.973 603 HG SER 79 HG SER 79 -18.949 -6.954 5.571 604 H ASP 80 HN ASP 80 -17.967 -5.376 7.147 605 HA ASP 80 HA ASP 80 -16.423 -5.250 9.487 606 HB2 ASP 80 2HB ASP 80 -18.766 -5.560 10.574 607 HB3 ASP 80 3HB ASP 80 -18.503 -4.130 9.596 608 HD2 ASP 80 HD2 ASP 80 -21.424 -6.007 9.572 609 H ALA 81 HN ALA 81 -18.032 -7.786 7.589 610 HA ALA 81 HA ALA 81 -17.874 -9.716 9.745 611 HB1 ALA 81 1HB ALA 81 -18.580 -10.410 6.907 612 HB2 ALA 81 2HB ALA 81 -19.271 -11.015 8.432 613 HB3 ALA 81 3HB ALA 81 -19.704 -9.393 7.840 614 H GLU 82 HN GLU 82 -16.396 -9.039 6.512 615 HA GLU 82 HA GLU 82 -14.832 -11.243 6.322 616 HB2 GLU 82 2HB GLU 82 -14.390 -8.373 5.432 617 HB3 GLU 82 3HB GLU 82 -13.233 -9.630 5.043 618 HG2 GLU 82 2HG GLU 82 -14.851 -10.883 3.772 619 HG3 GLU 82 3HG GLU 82 -16.194 -9.968 4.428 620 HE2 GLU 82 HE2 GLU 82 -15.388 -7.116 2.448 621 H THR 83 HN THR 83 -14.028 -8.091 7.935 622 HA THR 83 HA THR 83 -11.465 -8.844 8.770 623 HB THR 83 HB THR 83 -13.530 -6.818 9.760 624 HG1 THR 83 HG1 THR 83 -12.641 -5.936 7.933 625 HG21 THR 83 1HG2 THR 83 -11.429 -7.619 11.337 626 HG22 THR 83 2HG2 THR 83 -10.602 -6.446 10.284 627 HG23 THR 83 3HG2 THR 83 -11.998 -5.934 11.262 628 H LYS 84 HN LYS 84 -14.668 -9.669 9.992 629 HA LYS 84 HA LYS 84 -13.726 -10.442 12.567 630 HB2 LYS 84 2HB LYS 84 -16.288 -10.485 11.067 631 HB3 LYS 84 3HB LYS 84 -16.105 -11.711 12.305 632 HG2 LYS 84 2HG LYS 84 -15.295 -9.758 13.848 633 HG3 LYS 84 3HG LYS 84 -15.964 -8.690 12.630 634 HD2 LYS 84 2HD LYS 84 -18.188 -9.781 12.864 635 HD3 LYS 84 3HD LYS 84 -17.530 -10.907 14.035 636 HE2 LYS 84 2HE LYS 84 -17.269 -9.241 15.699 637 HE3 LYS 84 3HE LYS 84 -17.235 -7.934 14.532 638 HZ1 LYS 84 1HZ LYS 84 -19.473 -8.939 15.878 639 HZ2 LYS 84 2HZ LYS 84 -19.441 -7.724 14.795 640 H ALA 85 HN ALA 85 -14.373 -12.074 9.425 641 HA ALA 85 HA ALA 85 -13.974 -14.681 10.373 642 HB1 ALA 85 1HB ALA 85 -14.906 -13.611 8.093 643 HB2 ALA 85 2HB ALA 85 -13.236 -13.935 7.568 644 HB3 ALA 85 3HB ALA 85 -14.256 -15.267 8.166 645 H PHE 86 HN PHE 86 -11.758 -12.189 8.988 646 HA PHE 86 HA PHE 86 -9.513 -13.928 9.054 647 HB2 PHE 86 2HB PHE 86 -9.964 -11.828 7.600 648 HB3 PHE 86 3HB PHE 86 -9.720 -10.859 9.040 649 HD1 PHE 86 HD1 PHE 86 -7.775 -13.864 8.070 650 HD2 PHE 86 HD2 PHE 86 -7.810 -9.635 8.423 651 HE1 PHE 86 HE1 PHE 86 -5.308 -13.805 7.613 652 HE2 PHE 86 HE2 PHE 86 -5.343 -9.576 7.966 653 HZ PHE 86 HZ PHE 86 -4.121 -11.662 7.566 654 H LEU 87 HN LEU 87 -11.262 -12.208 11.471 655 HA LEU 87 HA LEU 87 -8.962 -11.701 13.133 656 HB2 LEU 87 2HB LEU 87 -10.761 -10.119 13.145 657 HB3 LEU 87 3HB LEU 87 -11.934 -11.363 13.526 658 HG LEU 87 HG LEU 87 -10.656 -11.709 15.714 659 HD11 LEU 87 1HD1 LEU 87 -9.543 -8.960 15.132 660 HD12 LEU 87 2HD1 LEU 87 -9.194 -10.029 16.512 661 HD13 LEU 87 3HD1 LEU 87 -8.617 -10.460 14.884 662 HD21 LEU 87 1HD2 LEU 87 -12.751 -10.733 15.930 663 HD22 LEU 87 2HD2 LEU 87 -11.675 -9.534 16.686 664 HD23 LEU 87 3HD2 LEU 87 -12.279 -9.270 15.033 665 H LYS 88 HN LYS 88 -12.002 -13.662 13.533 666 HA LYS 88 HA LYS 88 -11.050 -15.131 15.678 667 HB2 LYS 88 2HB LYS 88 -13.274 -15.367 13.713 668 HB3 LYS 88 3HB LYS 88 -12.847 -16.822 14.591 669 HG2 LYS 88 2HG LYS 88 -12.849 -15.148 16.694 670 HG3 LYS 88 3HG LYS 88 -13.896 -14.200 15.657 671 HD2 LYS 88 2HD LYS 88 -15.432 -16.127 15.388 672 HD3 LYS 88 3HD LYS 88 -14.360 -17.144 16.329 673 HE2 LYS 88 2HE LYS 88 -14.863 -16.044 18.358 674 HE3 LYS 88 3HE LYS 88 -15.355 -14.565 17.558 675 HZ1 LYS 88 1HZ LYS 88 -16.923 -16.942 18.080 676 HZ2 LYS 88 2HZ LYS 88 -17.421 -15.400 17.917 677 H ALA 89 HN ALA 89 -10.735 -15.629 12.135 678 HA ALA 89 HA ALA 89 -9.842 -18.182 12.026 679 HB1 ALA 89 1HB ALA 89 -9.252 -15.657 10.514 680 HB2 ALA 89 2HB ALA 89 -8.260 -17.095 10.170 681 HB3 ALA 89 3HB ALA 89 -10.027 -17.161 9.962 682 H GLY 90 HN GLY 90 -7.600 -15.324 12.268 683 HA2 GLY 90 1HA GLY 90 -5.437 -16.992 13.138 684 HA3 GLY 90 2HA GLY 90 -5.455 -15.245 12.994 685 H ASP 91 HN ASP 91 -7.120 -14.159 14.692 686 HA ASP 91 HA ASP 91 -6.013 -14.393 17.124 687 HB2 ASP 91 2HB ASP 91 -7.953 -12.831 16.031 688 HB3 ASP 91 3HB ASP 91 -8.968 -13.841 17.042 689 HD2 ASP 91 HD2 ASP 91 -9.205 -11.579 17.775 690 H SER 92 HN SER 92 -5.767 -16.558 17.924 691 HA SER 92 HA SER 92 -8.123 -18.202 18.044 692 HB2 SER 92 2HB SER 92 -5.204 -18.606 18.161 693 HB3 SER 92 3HB SER 92 -6.056 -19.558 19.361 694 HG SER 92 HG SER 92 -7.403 -20.424 17.650 695 H ASP 93 HN ASP 93 -7.053 -15.740 19.768 696 HA ASP 93 HA ASP 93 -7.899 -16.883 22.411 697 HB2 ASP 93 2HB ASP 93 -6.385 -14.879 23.199 698 HB3 ASP 93 3HB ASP 93 -5.621 -16.369 22.650 699 H GLY 94 HN GLY 94 -8.841 -14.813 19.853 700 HA2 GLY 94 1HA GLY 94 -10.102 -12.923 19.742 701 HA3 GLY 94 2HA GLY 94 -11.099 -13.826 20.866 702 H ASP 95 HN ASP 95 -8.153 -11.699 20.803 703 HA ASP 95 HA ASP 95 -8.916 -10.809 23.460 704 HB2 ASP 95 2HB ASP 95 -6.346 -10.217 21.925 705 HB3 ASP 95 3HB ASP 95 -6.632 -9.932 23.631 706 HD2 ASP 95 HD2 ASP 95 -7.048 -12.961 24.550 707 H GLY 96 HN GLY 96 -8.700 -9.951 20.056 708 HA2 GLY 96 1HA GLY 96 -10.071 -8.063 19.381 709 HA3 GLY 96 2HA GLY 96 -9.388 -7.148 20.710 710 H LYS 97 HN LYS 97 -7.019 -9.239 19.372 711 HA LYS 97 HA LYS 97 -6.224 -7.418 17.278 712 HB2 LYS 97 2HB LYS 97 -4.189 -7.894 19.434 713 HB3 LYS 97 3HB LYS 97 -4.234 -6.651 18.200 714 HG2 LYS 97 2HG LYS 97 -6.161 -5.563 19.322 715 HG3 LYS 97 3HG LYS 97 -6.214 -6.841 20.521 716 HD2 LYS 97 2HD LYS 97 -3.770 -5.066 20.072 717 HD3 LYS 97 3HD LYS 97 -5.011 -4.710 21.257 718 HE2 LYS 97 2HE LYS 97 -4.572 -6.849 22.421 719 HE3 LYS 97 3HE LYS 97 -3.415 -7.316 21.190 720 HZ1 LYS 97 1HZ LYS 97 -2.904 -4.742 22.441 721 HZ2 LYS 97 2HZ LYS 97 -2.722 -6.028 23.424 722 H ILE 98 HN ILE 98 -4.033 -8.301 16.306 723 HA ILE 98 HA ILE 98 -3.987 -11.214 16.587 724 HB ILE 98 HB ILE 98 -4.563 -9.605 14.145 725 HG12 ILE 98 2HG1 ILE 98 -5.592 -12.113 15.448 726 HG13 ILE 98 3HG1 ILE 98 -6.462 -10.660 14.998 727 HG21 ILE 98 1HG2 ILE 98 -3.073 -12.244 14.107 728 HG22 ILE 98 2HG2 ILE 98 -3.788 -11.429 12.695 729 HG23 ILE 98 3HG2 ILE 98 -2.446 -10.664 13.579 730 HD11 ILE 98 1HD1 ILE 98 -7.055 -12.342 13.379 731 HD12 ILE 98 2HD1 ILE 98 -5.943 -11.226 12.552 732 HD13 ILE 98 3HD1 ILE 98 -5.352 -12.800 13.135 733 H GLY 99 HN GLY 99 -2.012 -11.513 17.504 734 HA2 GLY 99 1HA GLY 99 0.191 -9.762 16.926 735 HA3 GLY 99 2HA GLY 99 0.191 -11.191 17.941 736 H ILE 100 HN ILE 100 2.356 -11.538 16.839 737 HA ILE 100 HA ILE 100 2.226 -12.320 14.072 738 HB ILE 100 HB ILE 100 4.138 -11.169 15.534 739 HG12 ILE 100 2HG1 ILE 100 4.151 -11.303 13.124 740 HG13 ILE 100 3HG1 ILE 100 5.716 -11.792 13.745 741 HG21 ILE 100 1HG2 ILE 100 5.941 -12.809 15.975 742 HG22 ILE 100 2HG2 ILE 100 4.520 -13.030 17.024 743 HG23 ILE 100 3HG2 ILE 100 4.788 -14.126 15.647 744 HD11 ILE 100 1HD1 ILE 100 3.524 -13.526 12.572 745 HD12 ILE 100 2HD1 ILE 100 5.247 -13.452 12.132 746 HD13 ILE 100 3HD1 ILE 100 4.750 -14.233 13.652 747 H ASP 101 HN ASP 101 2.389 -13.834 17.318 748 HA ASP 101 HA ASP 101 2.881 -16.405 16.362 749 HB2 ASP 101 2HB ASP 101 1.257 -15.960 18.863 750 HB3 ASP 101 3HB ASP 101 2.571 -17.086 18.590 751 HD2 ASP 101 HD2 ASP 101 1.965 -14.401 20.337 752 H GLU 102 HN GLU 102 0.089 -14.314 16.379 753 HA GLU 102 HA GLU 102 -1.719 -16.571 16.159 754 HB2 GLU 102 2HB GLU 102 -2.175 -13.587 16.547 755 HB3 GLU 102 3HB GLU 102 -3.487 -14.698 16.206 756 HG2 GLU 102 2HG GLU 102 -3.107 -15.939 18.242 757 HG3 GLU 102 3HG GLU 102 -1.546 -15.186 18.501 758 H PHE 103 HN PHE 103 -0.491 -13.681 14.397 759 HA PHE 103 HA PHE 103 -2.151 -14.090 12.139 760 HB2 PHE 103 2HB PHE 103 -1.189 -11.893 12.633 761 HB3 PHE 103 3HB PHE 103 0.419 -12.565 12.820 762 HD1 PHE 103 HD1 PHE 103 1.903 -12.600 11.012 763 HD2 PHE 103 HD2 PHE 103 -2.225 -11.938 10.286 764 HE1 PHE 103 HE1 PHE 103 2.414 -12.043 8.618 765 HE2 PHE 103 HE2 PHE 103 -1.715 -11.381 7.892 766 HZ PHE 103 HZ PHE 103 0.598 -11.440 7.087 767 H ALA 104 HN ALA 104 0.961 -15.375 13.237 768 HA ALA 104 HA ALA 104 1.617 -16.348 10.588 769 HB1 ALA 104 1HB ALA 104 3.378 -15.453 12.060 770 HB2 ALA 104 2HB ALA 104 2.979 -16.673 13.293 771 HB3 ALA 104 3HB ALA 104 3.652 -17.179 11.725 772 H ALA 105 HN ALA 105 -0.369 -17.250 13.216 773 HA ALA 105 HA ALA 105 0.092 -20.073 13.040 774 HB1 ALA 105 1HB ALA 105 -2.448 -19.284 14.220 775 HB2 ALA 105 2HB ALA 105 -1.031 -20.039 14.989 776 HB3 ALA 105 3HB ALA 105 -1.122 -18.268 14.835 777 H MET 106 HN MET 106 -2.573 -17.797 12.073 778 HA MET 106 HA MET 106 -4.193 -19.618 10.896 779 HB2 MET 106 2HB MET 106 -4.939 -17.627 9.468 780 HB3 MET 106 3HB MET 106 -4.849 -17.277 11.183 781 HG2 MET 106 2HG MET 106 -2.385 -16.491 10.660 782 HG3 MET 106 3HG MET 106 -2.917 -16.445 8.991 783 HE1 MET 106 1HE MET 106 -5.603 -15.490 8.648 784 HE2 MET 106 2HE MET 106 -6.148 -15.928 10.285 785 HE3 MET 106 3HE MET 106 -6.281 -14.244 9.723 786 H ILE 107 HN ILE 107 -1.016 -18.633 9.885 787 HA ILE 107 HA ILE 107 -1.507 -19.713 7.202 788 HB ILE 107 HB ILE 107 0.918 -18.630 6.982 789 HG12 ILE 107 2HG1 ILE 107 -0.423 -16.978 9.143 790 HG13 ILE 107 3HG1 ILE 107 1.051 -17.910 9.317 791 HG21 ILE 107 1HG2 ILE 107 -1.398 -18.181 5.830 792 HG22 ILE 107 2HG2 ILE 107 -1.398 -16.734 6.866 793 HG23 ILE 107 3HG2 ILE 107 -0.074 -16.997 5.706 794 HD11 ILE 107 1HD1 ILE 107 2.267 -16.489 7.813 795 HD12 ILE 107 2HD1 ILE 107 0.774 -15.733 7.207 796 HD13 ILE 107 3HD1 ILE 107 1.336 -15.392 8.861 797 H LYS 108 HN LYS 108 0.401 -19.993 10.213 798 HA LYS 108 HA LYS 108 2.125 -22.000 9.186 799 HB2 LYS 108 2HB LYS 108 2.896 -20.650 10.993 800 HB3 LYS 108 3HB LYS 108 1.484 -21.004 11.968 801 HG2 LYS 108 2HG LYS 108 2.200 -23.184 12.478 802 HG3 LYS 108 3HG LYS 108 3.172 -23.323 11.027 803 HD2 LYS 108 2HD LYS 108 4.760 -21.591 11.988 804 HD3 LYS 108 3HD LYS 108 3.823 -21.606 13.469 805 HE2 LYS 108 2HE LYS 108 4.222 -24.184 13.491 806 HE3 LYS 108 3HE LYS 108 5.437 -23.890 12.263 807 HZ1 LYS 108 1HZ LYS 108 5.479 -22.375 14.802 808 HZ2 LYS 108 2HZ LYS 108 6.186 -23.838 14.696 809 H GLY 109 HN GLY 109 -1.196 -21.933 10.029 810 HA2 GLY 109 1HA GLY 109 -1.187 -24.861 10.457 811 HA3 GLY 109 2HA GLY 109 -2.353 -23.758 11.158 Start of MODEL 19 1 H SER 0 HN SER 0 0.935 -0.247 0.289 2 HA SER 0 HA SER 0 3.656 0.757 0.285 3 HB2 SER 0 2HB SER 0 2.057 -1.021 2.135 4 HB3 SER 0 3HB SER 0 3.806 -1.126 2.154 5 HG SER 0 HG SER 0 3.974 0.858 3.034 6 H MET 1 HN MET 1 4.996 -0.153 -1.230 7 HA MET 1 HA MET 1 4.306 -2.757 -2.244 8 HB2 MET 1 2HB MET 1 6.647 -0.935 -3.016 9 HB3 MET 1 3HB MET 1 5.972 -2.232 -3.982 10 HG2 MET 1 2HG MET 1 3.726 -0.879 -3.868 11 HG3 MET 1 3HG MET 1 4.717 0.461 -3.326 12 HE1 MET 1 1HE MET 1 3.246 -1.474 -5.759 13 HE2 MET 1 2HE MET 1 3.168 -0.042 -6.814 14 HE3 MET 1 3HE MET 1 4.165 -1.440 -7.283 15 H ALA 2 HN ALA 2 5.013 -3.040 0.403 16 HA ALA 2 HA ALA 2 7.815 -3.484 0.698 17 HB1 ALA 2 1HB ALA 2 5.471 -3.313 2.339 18 HB2 ALA 2 2HB ALA 2 6.263 -4.873 2.668 19 HB3 ALA 2 3HB ALA 2 7.177 -3.357 2.846 20 H PHE 3 HN PHE 3 4.940 -5.718 0.725 21 HA PHE 3 HA PHE 3 6.362 -8.057 0.626 22 HB2 PHE 3 2HB PHE 3 3.651 -7.015 -0.237 23 HB3 PHE 3 3HB PHE 3 4.086 -8.606 -0.828 24 HD1 PHE 3 HD1 PHE 3 5.159 -10.148 1.146 25 HD2 PHE 3 HD2 PHE 3 2.399 -6.970 1.688 26 HE1 PHE 3 HE1 PHE 3 4.423 -11.158 3.323 27 HE2 PHE 3 HE2 PHE 3 1.663 -7.980 3.865 28 HZ PHE 3 HZ PHE 3 2.684 -10.062 4.656 29 H ALA 4 HN ALA 4 5.998 -5.619 -1.844 30 HA ALA 4 HA ALA 4 6.086 -7.091 -4.160 31 HB1 ALA 4 1HB ALA 4 7.542 -4.486 -3.554 32 HB2 ALA 4 2HB ALA 4 7.031 -5.074 -5.155 33 HB3 ALA 4 3HB ALA 4 5.810 -4.616 -3.944 34 H SER 5 HN SER 5 8.463 -6.785 -1.611 35 HA SER 5 HA SER 5 10.550 -7.725 -3.378 36 HB2 SER 5 2HB SER 5 10.911 -5.874 -1.646 37 HB3 SER 5 3HB SER 5 10.739 -7.097 -0.403 38 HG SER 5 HG SER 5 12.713 -7.116 -2.526 39 H VAL 6 HN VAL 6 8.604 -8.669 -0.495 40 HA VAL 6 HA VAL 6 9.937 -11.086 -0.002 41 HB VAL 6 HB VAL 6 7.066 -10.328 0.570 42 HG11 VAL 6 1HG1 VAL 6 8.840 -12.161 2.194 43 HG12 VAL 6 2HG1 VAL 6 7.072 -11.972 2.260 44 HG13 VAL 6 3HG1 VAL 6 7.831 -12.761 0.857 45 HG21 VAL 6 1HG2 VAL 6 8.123 -9.709 2.858 46 HG22 VAL 6 2HG2 VAL 6 9.649 -9.604 1.949 47 HG23 VAL 6 3HG2 VAL 6 8.277 -8.562 1.506 48 H LEU 7 HN LEU 7 6.708 -10.508 -1.583 49 HA LEU 7 HA LEU 7 7.163 -13.019 -3.034 50 HB2 LEU 7 2HB LEU 7 4.485 -11.716 -2.697 51 HB3 LEU 7 3HB LEU 7 4.870 -13.388 -3.054 52 HG LEU 7 HG LEU 7 5.702 -12.245 -0.408 53 HD11 LEU 7 1HD1 LEU 7 2.924 -12.559 -1.341 54 HD12 LEU 7 2HD1 LEU 7 3.292 -13.355 0.208 55 HD13 LEU 7 3HD1 LEU 7 3.590 -11.612 0.010 56 HD21 LEU 7 1HD2 LEU 7 6.262 -14.597 -1.367 57 HD22 LEU 7 2HD2 LEU 7 5.729 -14.439 0.324 58 HD23 LEU 7 3HD2 LEU 7 4.582 -14.985 -0.923 59 H LYS 8 HN LYS 8 5.582 -12.856 -5.183 60 HA LYS 8 HA LYS 8 6.816 -10.683 -6.657 61 HB2 LYS 8 2HB LYS 8 6.785 -13.176 -7.342 62 HB3 LYS 8 3HB LYS 8 5.118 -12.898 -7.805 63 HG2 LYS 8 2HG LYS 8 6.075 -10.815 -9.113 64 HG3 LYS 8 3HG LYS 8 7.624 -11.614 -8.938 65 HD2 LYS 8 2HD LYS 8 5.213 -13.110 -10.033 66 HD3 LYS 8 3HD LYS 8 6.204 -12.113 -11.080 67 HE2 LYS 8 2HE LYS 8 7.277 -14.179 -11.314 68 HE3 LYS 8 3HE LYS 8 8.224 -13.471 -10.021 69 HZ1 LYS 8 1HZ LYS 8 6.280 -15.643 -9.868 70 HZ2 LYS 8 2HZ LYS 8 7.672 -15.452 -9.044 71 H ASP 9 HN ASP 9 5.770 -8.862 -7.290 72 HA ASP 9 HA ASP 9 3.403 -8.144 -6.206 73 HB2 ASP 9 2HB ASP 9 5.026 -6.606 -7.316 74 HB3 ASP 9 3HB ASP 9 4.584 -7.259 -8.882 75 HD2 ASP 9 HD2 ASP 9 4.148 -4.413 -8.238 76 H ALA 10 HN ALA 10 4.099 -10.144 -9.039 77 HA ALA 10 HA ALA 10 1.504 -9.852 -10.220 78 HB1 ALA 10 1HB ALA 10 3.594 -10.311 -11.509 79 HB2 ALA 10 2HB ALA 10 3.701 -11.901 -10.715 80 HB3 ALA 10 3HB ALA 10 2.329 -11.533 -11.787 81 H GLU 11 HN GLU 11 3.142 -11.989 -7.886 82 HA GLU 11 HA GLU 11 1.173 -13.996 -8.015 83 HB2 GLU 11 2HB GLU 11 3.520 -13.350 -6.257 84 HB3 GLU 11 3HB GLU 11 2.315 -14.443 -5.604 85 HG2 GLU 11 2HG GLU 11 2.561 -15.967 -7.502 86 HG3 GLU 11 3HG GLU 11 3.580 -14.824 -8.355 87 HE2 GLU 11 HE2 GLU 11 3.855 -17.531 -6.549 88 H VAL 12 HN VAL 12 1.937 -11.430 -5.549 89 HA VAL 12 HA VAL 12 -0.289 -11.934 -3.954 90 HB VAL 12 HB VAL 12 0.247 -9.901 -2.880 91 HG11 VAL 12 1HG1 VAL 12 2.415 -10.332 -2.240 92 HG12 VAL 12 2HG1 VAL 12 2.025 -11.853 -3.077 93 HG13 VAL 12 3HG1 VAL 12 2.975 -10.599 -3.909 94 HG21 VAL 12 1HG2 VAL 12 1.864 -9.076 -5.314 95 HG22 VAL 12 2HG2 VAL 12 0.236 -8.473 -4.919 96 HG23 VAL 12 3HG2 VAL 12 1.601 -8.130 -3.829 97 H THR 13 HN THR 13 0.175 -9.972 -6.910 98 HA THR 13 HA THR 13 -2.109 -8.437 -6.828 99 HB THR 13 HB THR 13 -0.319 -9.625 -8.953 100 HG1 THR 13 HG1 THR 13 0.057 -7.614 -7.676 101 HG21 THR 13 1HG2 THR 13 -3.105 -8.598 -9.376 102 HG22 THR 13 2HG2 THR 13 -1.844 -7.853 -10.387 103 HG23 THR 13 3HG2 THR 13 -2.103 -9.614 -10.440 104 H ALA 14 HN ALA 14 -1.753 -11.769 -8.213 105 HA ALA 14 HA ALA 14 -4.416 -12.023 -8.956 106 HB1 ALA 14 1HB ALA 14 -2.893 -13.579 -9.846 107 HB2 ALA 14 2HB ALA 14 -2.193 -13.949 -8.252 108 HB3 ALA 14 3HB ALA 14 -3.818 -14.542 -8.669 109 H ALA 15 HN ALA 15 -2.781 -12.311 -5.812 110 HA ALA 15 HA ALA 15 -4.973 -13.636 -4.551 111 HB1 ALA 15 1HB ALA 15 -2.283 -13.170 -4.001 112 HB2 ALA 15 2HB ALA 15 -3.131 -12.142 -2.822 113 HB3 ALA 15 3HB ALA 15 -3.470 -13.888 -2.886 114 H LEU 16 HN LEU 16 -4.234 -10.381 -5.539 115 HA LEU 16 HA LEU 16 -5.957 -9.201 -3.537 116 HB2 LEU 16 2HB LEU 16 -4.120 -8.211 -5.670 117 HB3 LEU 16 3HB LEU 16 -5.410 -7.157 -5.124 118 HG LEU 16 HG LEU 16 -3.649 -8.438 -3.066 119 HD11 LEU 16 1HD1 LEU 16 -1.831 -7.677 -4.172 120 HD12 LEU 16 2HD1 LEU 16 -2.758 -6.484 -5.113 121 HD13 LEU 16 3HD1 LEU 16 -2.309 -6.133 -3.427 122 HD21 LEU 16 1HD2 LEU 16 -4.424 -5.589 -2.918 123 HD22 LEU 16 2HD2 LEU 16 -5.766 -6.758 -2.879 124 HD23 LEU 16 3HD2 LEU 16 -4.458 -6.864 -1.676 125 H ASP 17 HN ASP 17 -6.095 -10.507 -6.793 126 HA ASP 17 HA ASP 17 -8.540 -9.107 -7.346 127 HB2 ASP 17 2HB ASP 17 -6.728 -9.680 -9.079 128 HB3 ASP 17 3HB ASP 17 -7.221 -11.355 -8.933 129 HD2 ASP 17 HD2 ASP 17 -9.636 -11.650 -9.498 130 H GLY 18 HN GLY 18 -7.373 -12.072 -5.917 131 HA2 GLY 18 1HA GLY 18 -9.592 -13.760 -6.546 132 HA3 GLY 18 2HA GLY 18 -8.341 -14.035 -5.350 133 H CYS 19 HN CYS 19 -9.154 -11.051 -4.433 134 HA CYS 19 HA CYS 19 -11.587 -11.839 -3.025 135 HB2 CYS 19 2HB CYS 19 -10.573 -10.658 -0.970 136 HB3 CYS 19 3HB CYS 19 -10.053 -12.293 -1.327 137 HG CYS 19 HG CYS 19 -8.591 -9.496 -2.339 138 H LYS 20 HN LYS 20 -10.980 -10.157 -5.423 139 HA LYS 20 HA LYS 20 -10.907 -7.447 -4.691 140 HB2 LYS 20 2HB LYS 20 -10.505 -8.739 -6.981 141 HB3 LYS 20 3HB LYS 20 -12.194 -8.348 -7.238 142 HG2 LYS 20 2HG LYS 20 -11.643 -5.923 -6.665 143 HG3 LYS 20 3HG LYS 20 -9.950 -6.371 -6.621 144 HD2 LYS 20 2HD LYS 20 -11.817 -6.607 -9.027 145 HD3 LYS 20 3HD LYS 20 -10.518 -5.446 -8.835 146 HE2 LYS 20 2HE LYS 20 -10.143 -8.479 -8.932 147 HE3 LYS 20 3HE LYS 20 -9.869 -7.395 -10.281 148 HZ1 LYS 20 1HZ LYS 20 -7.772 -7.423 -9.404 149 HZ2 LYS 20 2HZ LYS 20 -8.339 -6.229 -8.452 150 H ALA 21 HN ALA 21 -13.605 -9.737 -5.426 151 HA ALA 21 HA ALA 21 -15.606 -7.761 -5.074 152 HB1 ALA 21 1HB ALA 21 -16.768 -10.267 -4.656 153 HB2 ALA 21 2HB ALA 21 -16.611 -9.425 -6.217 154 HB3 ALA 21 3HB ALA 21 -15.380 -10.610 -5.718 155 H ALA 22 HN ALA 22 -17.144 -7.598 -3.298 156 HA ALA 22 HA ALA 22 -15.817 -7.937 -0.765 157 HB1 ALA 22 1HB ALA 22 -16.927 -5.869 -1.029 158 HB2 ALA 22 2HB ALA 22 -18.371 -6.632 -1.738 159 HB3 ALA 22 3HB ALA 22 -18.027 -6.818 -0.001 160 H GLY 23 HN GLY 23 -16.737 -9.105 1.056 161 HA2 GLY 23 1HA GLY 23 -17.653 -10.917 2.017 162 HA3 GLY 23 2HA GLY 23 -19.015 -10.704 0.935 163 H SER 24 HN SER 24 -15.830 -11.113 -0.519 164 HA SER 24 HA SER 24 -16.426 -13.928 -0.943 165 HB2 SER 24 2HB SER 24 -16.266 -13.794 -3.257 166 HB3 SER 24 3HB SER 24 -17.013 -12.248 -2.909 167 HG SER 24 HG SER 24 -14.504 -12.803 -3.971 168 H PHE 25 HN PHE 25 -14.507 -12.107 0.720 169 HA PHE 25 HA PHE 25 -11.953 -12.883 -0.419 170 HB2 PHE 25 2HB PHE 25 -11.978 -10.656 0.473 171 HB3 PHE 25 3HB PHE 25 -13.056 -11.097 1.782 172 HD1 PHE 25 HD1 PHE 25 -12.165 -11.217 3.903 173 HD2 PHE 25 HD2 PHE 25 -9.604 -11.885 0.586 174 HE1 PHE 25 HE1 PHE 25 -10.202 -11.403 5.456 175 HE2 PHE 25 HE2 PHE 25 -7.641 -12.071 2.140 176 HZ PHE 25 HZ PHE 25 -7.963 -11.828 4.556 177 H ASP 26 HN ASP 26 -10.477 -14.305 0.580 178 HA ASP 26 HA ASP 26 -11.499 -15.650 2.946 179 HB2 ASP 26 2HB ASP 26 -10.638 -16.837 0.305 180 HB3 ASP 26 3HB ASP 26 -10.272 -17.734 1.766 181 HD2 ASP 26 HD2 ASP 26 -13.438 -19.020 1.916 182 H HIS 27 HN HIS 27 -9.897 -14.494 4.220 183 HA HIS 27 HA HIS 27 -7.370 -13.887 3.637 184 HB2 HIS 27 2HB HIS 27 -6.917 -13.840 5.964 185 HB3 HIS 27 3HB HIS 27 -8.608 -13.427 5.761 186 HD1 HIS 27 HD1 HIS 27 -6.374 -16.245 6.966 187 HD2 HIS 27 HD2 HIS 27 -10.429 -15.171 6.969 188 HE1 HIS 27 HE1 HIS 27 -7.546 -17.881 8.535 189 H LYS 28 HN LYS 28 -8.384 -17.075 5.066 190 HA LYS 28 HA LYS 28 -5.978 -18.307 5.125 191 HB2 LYS 28 2HB LYS 28 -7.281 -20.430 4.770 192 HB3 LYS 28 3HB LYS 28 -7.880 -19.383 6.041 193 HG2 LYS 28 2HG LYS 28 -9.346 -18.385 3.990 194 HG3 LYS 28 3HG LYS 28 -9.089 -19.998 3.355 195 HD2 LYS 28 2HD LYS 28 -9.911 -20.912 5.607 196 HD3 LYS 28 3HD LYS 28 -10.354 -19.271 6.036 197 HE2 LYS 28 2HE LYS 28 -12.077 -19.162 4.436 198 HE3 LYS 28 3HE LYS 28 -11.337 -20.364 3.397 199 HZ1 LYS 28 1HZ LYS 28 -12.720 -21.822 4.379 200 HZ2 LYS 28 2HZ LYS 28 -11.849 -21.697 5.749 201 H LYS 29 HN LYS 29 -8.274 -18.448 2.305 202 HA LYS 29 HA LYS 29 -6.652 -19.767 0.570 203 HB2 LYS 29 2HB LYS 29 -8.898 -17.833 0.318 204 HB3 LYS 29 3HB LYS 29 -7.938 -18.101 -1.122 205 HG2 LYS 29 2HG LYS 29 -8.437 -20.661 0.153 206 HG3 LYS 29 3HG LYS 29 -9.959 -19.807 -0.009 207 HD2 LYS 29 2HD LYS 29 -9.968 -20.597 -2.150 208 HD3 LYS 29 3HD LYS 29 -8.817 -19.317 -2.480 209 HE2 LYS 29 2HE LYS 29 -7.919 -21.450 -3.306 210 HE3 LYS 29 3HE LYS 29 -6.928 -20.881 -1.977 211 HZ1 LYS 29 1HZ LYS 29 -8.601 -23.225 -2.095 212 HZ2 LYS 29 2HZ LYS 29 -7.320 -22.929 -1.134 213 H PHE 30 HN PHE 30 -6.915 -16.147 0.839 214 HA PHE 30 HA PHE 30 -5.069 -15.362 -0.897 215 HB2 PHE 30 2HB PHE 30 -6.460 -14.171 1.052 216 HB3 PHE 30 3HB PHE 30 -5.009 -14.396 2.007 217 HD1 PHE 30 HD1 PHE 30 -2.884 -13.285 1.291 218 HD2 PHE 30 HD2 PHE 30 -6.602 -12.447 -0.576 219 HE1 PHE 30 HE1 PHE 30 -1.928 -11.169 0.338 220 HE2 PHE 30 HE2 PHE 30 -5.646 -10.330 -1.529 221 HZ PHE 30 HZ PHE 30 -3.321 -9.717 -1.060 222 H PHE 31 HN PHE 31 -4.188 -16.073 2.566 223 HA PHE 31 HA PHE 31 -1.487 -15.875 2.282 224 HB2 PHE 31 2HB PHE 31 -3.264 -17.780 3.917 225 HB3 PHE 31 3HB PHE 31 -1.553 -17.588 4.239 226 HD1 PHE 31 HD1 PHE 31 -0.847 -14.976 4.460 227 HD2 PHE 31 HD2 PHE 31 -4.692 -16.584 5.262 228 HE1 PHE 31 HE1 PHE 31 -1.349 -13.028 5.962 229 HE2 PHE 31 HE2 PHE 31 -5.193 -14.636 6.764 230 HZ PHE 31 HZ PHE 31 -3.516 -12.882 7.096 231 H LYS 32 HN LYS 32 -3.638 -18.621 1.444 232 HA LYS 32 HA LYS 32 -1.477 -20.421 0.998 233 HB2 LYS 32 2HB LYS 32 -3.940 -20.927 1.609 234 HB3 LYS 32 3HB LYS 32 -4.274 -20.708 -0.097 235 HG2 LYS 32 2HG LYS 32 -2.132 -22.360 -0.320 236 HG3 LYS 32 3HG LYS 32 -2.679 -22.861 1.268 237 HD2 LYS 32 2HD LYS 32 -4.005 -24.276 0.013 238 HD3 LYS 32 3HD LYS 32 -5.078 -22.890 0.030 239 HE2 LYS 32 2HE LYS 32 -4.130 -22.127 -2.159 240 HE3 LYS 32 3HE LYS 32 -3.052 -23.508 -2.175 241 HZ1 LYS 32 1HZ LYS 32 -5.779 -24.291 -1.764 242 HZ2 LYS 32 2HZ LYS 32 -5.599 -23.482 -3.166 243 H ALA 33 HN ALA 33 -3.124 -17.898 -0.833 244 HA ALA 33 HA ALA 33 -2.376 -18.848 -3.397 245 HB1 ALA 33 1HB ALA 33 -3.932 -17.288 -3.843 246 HB2 ALA 33 2HB ALA 33 -3.807 -16.621 -2.198 247 HB3 ALA 33 3HB ALA 33 -2.711 -16.046 -3.477 248 H CYS 34 HN CYS 34 -1.149 -16.063 -1.396 249 HA CYS 34 HA CYS 34 1.088 -15.671 -3.017 250 HB2 CYS 34 2HB CYS 34 1.939 -14.343 -1.028 251 HB3 CYS 34 3HB CYS 34 0.391 -13.848 -1.684 252 HG CYS 34 HG CYS 34 -0.581 -13.801 0.484 253 H GLY 35 HN GLY 35 0.249 -18.053 -0.614 254 HA2 GLY 35 1HA GLY 35 1.478 -20.010 -0.315 255 HA3 GLY 35 2HA GLY 35 2.948 -19.181 -0.790 256 H LEU 36 HN LEU 36 1.579 -16.902 1.125 257 HA LEU 36 HA LEU 36 3.326 -16.976 3.151 258 HB2 LEU 36 2HB LEU 36 0.569 -15.931 2.828 259 HB3 LEU 36 3HB LEU 36 1.196 -15.995 4.463 260 HG LEU 36 HG LEU 36 2.778 -14.698 2.248 261 HD11 LEU 36 1HD1 LEU 36 1.298 -13.064 2.019 262 HD12 LEU 36 2HD1 LEU 36 0.224 -13.821 3.220 263 HD13 LEU 36 3HD1 LEU 36 1.484 -12.678 3.747 264 HD21 LEU 36 1HD2 LEU 36 4.220 -14.741 3.986 265 HD22 LEU 36 2HD2 LEU 36 3.314 -13.291 4.481 266 HD23 LEU 36 3HD2 LEU 36 2.929 -14.870 5.204 267 H SER 37 HN SER 37 0.514 -19.088 2.698 268 HA SER 37 HA SER 37 0.437 -20.003 5.342 269 HB2 SER 37 2HB SER 37 -0.560 -21.184 2.718 270 HB3 SER 37 3HB SER 37 -0.854 -21.950 4.267 271 HG SER 37 HG SER 37 -2.186 -19.862 3.110 272 H GLY 38 HN GLY 38 1.830 -21.374 2.275 273 HA2 GLY 38 1HA GLY 38 3.114 -23.537 3.692 274 HA3 GLY 38 2HA GLY 38 3.203 -23.168 1.981 275 H LYS 39 HN LYS 39 3.750 -20.245 3.535 276 HA LYS 39 HA LYS 39 6.523 -20.327 2.912 277 HB2 LYS 39 2HB LYS 39 4.603 -18.275 3.975 278 HB3 LYS 39 3HB LYS 39 6.326 -17.977 4.081 279 HG2 LYS 39 2HG LYS 39 4.766 -18.611 1.533 280 HG3 LYS 39 3HG LYS 39 5.426 -17.049 1.977 281 HD2 LYS 39 2HD LYS 39 7.708 -18.502 2.155 282 HD3 LYS 39 3HD LYS 39 6.855 -19.512 1.004 283 HE2 LYS 39 2HE LYS 39 6.367 -17.226 -0.248 284 HE3 LYS 39 3HE LYS 39 7.702 -16.614 0.708 285 HZ1 LYS 39 1HZ LYS 39 8.680 -18.956 -0.263 286 HZ2 LYS 39 2HZ LYS 39 7.779 -18.439 -1.517 287 H SER 40 HN SER 40 8.016 -19.180 4.758 288 HA SER 40 HA SER 40 7.937 -21.128 6.874 289 HB2 SER 40 2HB SER 40 10.028 -19.003 6.220 290 HB3 SER 40 3HB SER 40 10.218 -20.286 7.399 291 HG SER 40 HG SER 40 10.955 -21.472 5.785 292 H THR 41 HN THR 41 7.645 -20.631 9.083 293 HA THR 41 HA THR 41 6.097 -18.422 9.729 294 HB THR 41 HB THR 41 7.680 -20.535 11.208 295 HG1 THR 41 HG1 THR 41 5.565 -21.082 10.573 296 HG21 THR 41 1HG2 THR 41 6.517 -19.589 13.319 297 HG22 THR 41 2HG2 THR 41 7.970 -18.714 12.777 298 HG23 THR 41 3HG2 THR 41 6.352 -18.063 12.417 299 H ASP 42 HN ASP 42 9.507 -18.616 9.144 300 HA ASP 42 HA ASP 42 10.318 -16.599 10.875 301 HB2 ASP 42 2HB ASP 42 11.836 -18.194 9.670 302 HB3 ASP 42 3HB ASP 42 11.447 -17.406 8.154 303 HD2 ASP 42 HD2 ASP 42 12.347 -14.435 9.680 304 H GLU 43 HN GLU 43 9.847 -16.555 7.251 305 HA GLU 43 HA GLU 43 10.012 -13.828 6.993 306 HB2 GLU 43 2HB GLU 43 9.355 -14.164 4.761 307 HB3 GLU 43 3HB GLU 43 10.018 -15.725 5.202 308 HG2 GLU 43 2HG GLU 43 7.722 -16.571 5.700 309 HG3 GLU 43 3HG GLU 43 7.049 -15.005 5.292 310 HE2 GLU 43 HE2 GLU 43 9.574 -16.348 2.988 311 H VAL 44 HN VAL 44 7.220 -15.958 7.737 312 HA VAL 44 HA VAL 44 5.097 -14.382 7.301 313 HB VAL 44 HB VAL 44 5.752 -16.151 9.656 314 HG11 VAL 44 1HG1 VAL 44 4.036 -14.705 10.471 315 HG12 VAL 44 2HG1 VAL 44 3.130 -14.807 8.942 316 HG13 VAL 44 3HG1 VAL 44 3.247 -16.231 10.004 317 HG21 VAL 44 1HG2 VAL 44 4.626 -17.861 8.501 318 HG22 VAL 44 2HG2 VAL 44 3.852 -16.719 7.376 319 HG23 VAL 44 3HG2 VAL 44 5.597 -17.049 7.249 320 H LYS 45 HN LYS 45 7.407 -14.122 10.068 321 HA LYS 45 HA LYS 45 6.049 -12.080 11.391 322 HB2 LYS 45 2HB LYS 45 9.027 -12.654 11.362 323 HB3 LYS 45 3HB LYS 45 8.156 -11.737 12.574 324 HG2 LYS 45 2HG LYS 45 7.106 -13.635 13.470 325 HG3 LYS 45 3HG LYS 45 7.186 -14.526 11.963 326 HD2 LYS 45 2HD LYS 45 9.718 -14.647 12.254 327 HD3 LYS 45 3HD LYS 45 9.520 -13.924 13.838 328 HE2 LYS 45 2HE LYS 45 8.367 -15.813 14.705 329 HE3 LYS 45 3HE LYS 45 7.918 -16.396 13.114 330 HZ1 LYS 45 1HZ LYS 45 10.772 -16.247 13.838 331 HZ2 LYS 45 2HZ LYS 45 9.886 -17.515 14.344 332 H LYS 46 HN LYS 46 8.638 -11.999 8.865 333 HA LYS 46 HA LYS 46 8.768 -9.179 8.829 334 HB2 LYS 46 2HB LYS 46 9.552 -10.906 6.497 335 HB3 LYS 46 3HB LYS 46 10.307 -9.445 7.102 336 HG2 LYS 46 2HG LYS 46 10.631 -10.973 9.309 337 HG3 LYS 46 3HG LYS 46 10.530 -12.267 8.131 338 HD2 LYS 46 2HD LYS 46 12.583 -10.049 8.332 339 HD3 LYS 46 3HD LYS 46 12.848 -11.777 8.209 340 HE2 LYS 46 2HE LYS 46 11.670 -11.518 5.842 341 HE3 LYS 46 3HE LYS 46 12.078 -9.823 6.022 342 HZ1 LYS 46 1HZ LYS 46 13.951 -10.738 4.994 343 HZ2 LYS 46 2HZ LYS 46 14.427 -10.726 6.551 344 H ALA 47 HN ALA 47 6.494 -11.510 7.599 345 HA ALA 47 HA ALA 47 5.556 -9.842 5.462 346 HB1 ALA 47 1HB ALA 47 5.201 -12.083 5.003 347 HB2 ALA 47 2HB ALA 47 4.841 -12.486 6.699 348 HB3 ALA 47 3HB ALA 47 3.622 -11.653 5.704 349 H PHE 48 HN PHE 48 4.685 -10.589 8.869 350 HA PHE 48 HA PHE 48 2.234 -9.219 8.825 351 HB2 PHE 48 2HB PHE 48 2.680 -10.781 10.609 352 HB3 PHE 48 3HB PHE 48 4.299 -10.159 10.863 353 HD1 PHE 48 HD1 PHE 48 4.547 -7.862 11.932 354 HD2 PHE 48 HD2 PHE 48 0.878 -9.994 11.895 355 HE1 PHE 48 HE1 PHE 48 3.706 -6.449 13.829 356 HE2 PHE 48 HE2 PHE 48 0.038 -8.582 13.792 357 HZ PHE 48 HZ PHE 48 1.462 -6.826 14.736 358 H ALA 49 HN ALA 49 5.596 -8.170 9.060 359 HA ALA 49 HA ALA 49 4.965 -5.651 10.268 360 HB1 ALA 49 1HB ALA 49 7.179 -7.086 10.277 361 HB2 ALA 49 2HB ALA 49 7.499 -6.238 8.745 362 HB3 ALA 49 3HB ALA 49 7.269 -5.309 10.246 363 H ILE 50 HN ILE 50 4.316 -6.990 7.257 364 HA ILE 50 HA ILE 50 4.972 -4.692 5.670 365 HB ILE 50 HB ILE 50 3.221 -7.048 4.975 366 HG12 ILE 50 2HG1 ILE 50 5.457 -7.743 5.864 367 HG13 ILE 50 3HG1 ILE 50 5.141 -8.226 4.209 368 HG21 ILE 50 1HG2 ILE 50 4.482 -6.335 2.693 369 HG22 ILE 50 2HG2 ILE 50 2.885 -5.721 3.185 370 HG23 ILE 50 3HG2 ILE 50 4.345 -4.749 3.489 371 HD11 ILE 50 1HD1 ILE 50 7.444 -7.027 4.939 372 HD12 ILE 50 2HD1 ILE 50 6.728 -6.788 3.327 373 HD13 ILE 50 3HD1 ILE 50 6.483 -5.568 4.600 374 H ILE 51 HN ILE 51 2.002 -6.185 7.093 375 HA ILE 51 HA ILE 51 0.312 -4.146 6.073 376 HB ILE 51 HB ILE 51 -0.322 -5.919 8.410 377 HG12 ILE 51 2HG1 ILE 51 -1.109 -7.260 6.061 378 HG13 ILE 51 3HG1 ILE 51 0.558 -6.794 5.792 379 HG21 ILE 51 1HG2 ILE 51 -1.788 -4.194 6.588 380 HG22 ILE 51 2HG2 ILE 51 -2.431 -5.854 6.594 381 HG23 ILE 51 3HG2 ILE 51 -2.299 -4.945 8.119 382 HD11 ILE 51 1HD1 ILE 51 0.689 -7.669 8.403 383 HD12 ILE 51 2HD1 ILE 51 -0.573 -8.733 7.737 384 HD13 ILE 51 3HD1 ILE 51 1.040 -8.685 6.985 385 H ASP 52 HN ASP 52 1.746 -4.857 9.327 386 HA ASP 52 HA ASP 52 0.686 -2.966 10.814 387 HB2 ASP 52 2HB ASP 52 2.812 -4.584 11.116 388 HB3 ASP 52 3HB ASP 52 3.704 -3.106 10.815 389 HD2 ASP 52 HD2 ASP 52 4.065 -4.063 13.384 390 H GLN 53 HN GLN 53 0.167 -0.876 10.080 391 HA GLN 53 HA GLN 53 2.068 0.500 8.427 392 HB2 GLN 53 2HB GLN 53 -0.589 1.559 9.468 393 HB3 GLN 53 3HB GLN 53 0.310 2.126 8.074 394 HG2 GLN 53 2HG GLN 53 0.033 -0.297 7.138 395 HG3 GLN 53 3HG GLN 53 -1.173 -0.512 8.391 396 HE21 GLN 53 1HE2 GLN 53 -2.314 -0.875 6.219 397 HE22 GLN 53 2HE2 GLN 53 -3.167 0.478 5.555 398 H ASP 54 HN ASP 54 0.303 1.179 11.431 399 HA ASP 54 HA ASP 54 1.997 3.415 12.196 400 HB2 ASP 54 2HB ASP 54 0.622 3.326 14.224 401 HB3 ASP 54 3HB ASP 54 -0.405 3.082 12.813 402 H LYS 55 HN LYS 55 2.725 0.101 12.043 403 HA LYS 55 HA LYS 55 4.121 -1.242 13.116 404 HB2 LYS 55 2HB LYS 55 5.734 1.101 14.058 405 HB3 LYS 55 3HB LYS 55 6.266 -0.422 13.375 406 HG2 LYS 55 2HG LYS 55 4.914 1.865 11.870 407 HG3 LYS 55 3HG LYS 55 6.590 1.372 11.727 408 HD2 LYS 55 2HD LYS 55 5.456 -1.006 11.133 409 HD3 LYS 55 3HD LYS 55 4.113 0.020 10.670 410 HE2 LYS 55 2HE LYS 55 5.369 -0.142 8.670 411 HE3 LYS 55 3HE LYS 55 5.869 1.406 9.322 412 HZ1 LYS 55 1HZ LYS 55 7.437 -0.969 8.969 413 HZ2 LYS 55 2HZ LYS 55 7.942 0.565 9.178 414 H SER 56 HN SER 56 1.949 -1.207 14.575 415 HA SER 56 HA SER 56 2.595 -0.268 17.219 416 HB2 SER 56 2HB SER 56 0.220 -1.360 17.638 417 HB3 SER 56 3HB SER 56 0.349 0.175 16.803 418 HG SER 56 HG SER 56 -0.176 -2.432 15.716 419 H GLY 57 HN GLY 57 3.150 -3.015 15.306 420 HA2 GLY 57 1HA GLY 57 4.225 -4.932 15.933 421 HA3 GLY 57 2HA GLY 57 3.912 -4.579 17.621 422 H PHE 58 HN PHE 58 0.942 -4.023 16.388 423 HA PHE 58 HA PHE 58 0.185 -6.847 16.276 424 HB2 PHE 58 2HB PHE 58 -1.364 -4.662 17.763 425 HB3 PHE 58 3HB PHE 58 -1.572 -6.395 17.918 426 HD1 PHE 58 HD1 PHE 58 1.093 -7.404 18.396 427 HD2 PHE 58 HD2 PHE 58 -0.701 -3.828 19.809 428 HE1 PHE 58 HE1 PHE 58 2.636 -7.413 20.376 429 HE2 PHE 58 HE2 PHE 58 0.841 -3.836 21.789 430 HZ PHE 58 HZ PHE 58 2.491 -5.628 22.049 431 H ILE 59 HN ILE 59 -2.322 -6.944 15.679 432 HA ILE 59 HA ILE 59 -2.879 -4.814 13.744 433 HB ILE 59 HB ILE 59 -2.965 -7.792 13.273 434 HG12 ILE 59 2HG1 ILE 59 -1.424 -5.553 11.929 435 HG13 ILE 59 3HG1 ILE 59 -0.760 -6.775 12.995 436 HG21 ILE 59 1HG2 ILE 59 -3.857 -5.713 11.282 437 HG22 ILE 59 2HG2 ILE 59 -4.115 -7.474 11.264 438 HG23 ILE 59 3HG2 ILE 59 -4.993 -6.458 12.432 439 HD11 ILE 59 1HD1 ILE 59 -0.408 -7.336 10.588 440 HD12 ILE 59 2HD1 ILE 59 -1.398 -8.562 11.415 441 HD13 ILE 59 3HD1 ILE 59 -2.172 -7.363 10.352 442 H GLU 60 HN GLU 60 -4.414 -3.822 15.075 443 HA GLU 60 HA GLU 60 -6.245 -5.193 16.599 444 HB2 GLU 60 2HB GLU 60 -6.470 -2.436 15.313 445 HB3 GLU 60 3HB GLU 60 -7.523 -3.023 16.585 446 HG2 GLU 60 2HG GLU 60 -5.969 -1.990 17.938 447 HG3 GLU 60 3HG GLU 60 -5.148 -3.531 17.785 448 HE2 GLU 60 HE2 GLU 60 -2.424 -1.922 16.445 449 H GLU 61 HN GLU 61 -8.765 -4.970 16.218 450 HA GLU 61 HA GLU 61 -9.381 -6.580 14.077 451 HB2 GLU 61 2HB GLU 61 -10.806 -6.471 16.044 452 HB3 GLU 61 3HB GLU 61 -11.126 -4.767 15.793 453 HG2 GLU 61 2HG GLU 61 -11.814 -6.705 13.577 454 HG3 GLU 61 3HG GLU 61 -12.864 -6.631 14.978 455 HE2 GLU 61 HE2 GLU 61 -13.329 -3.046 14.255 456 H GLU 62 HN GLU 62 -9.495 -3.006 14.459 457 HA GLU 62 HA GLU 62 -10.846 -2.542 12.062 458 HB2 GLU 62 2HB GLU 62 -8.896 -0.626 13.395 459 HB3 GLU 62 3HB GLU 62 -10.289 -0.221 12.413 460 HG2 GLU 62 2HG GLU 62 -11.442 -0.040 14.367 461 HG3 GLU 62 3HG GLU 62 -11.424 -1.791 14.418 462 HE2 GLU 62 HE2 GLU 62 -10.569 -2.415 16.514 463 H GLU 63 HN GLU 63 -7.394 -2.941 12.932 464 HA GLU 63 HA GLU 63 -6.476 -2.072 10.404 465 HB2 GLU 63 2HB GLU 63 -5.023 -3.751 12.495 466 HB3 GLU 63 3HB GLU 63 -4.276 -2.849 11.192 467 HG2 GLU 63 2HG GLU 63 -5.343 -0.733 12.176 468 HG3 GLU 63 3HG GLU 63 -5.823 -1.699 13.557 469 H LEU 64 HN LEU 64 -7.614 -5.113 11.801 470 HA LEU 64 HA LEU 64 -6.377 -6.936 10.145 471 HB2 LEU 64 2HB LEU 64 -8.859 -6.828 11.761 472 HB3 LEU 64 3HB LEU 64 -8.784 -8.077 10.534 473 HG LEU 64 HG LEU 64 -6.683 -7.674 12.680 474 HD11 LEU 64 1HD1 LEU 64 -9.159 -8.409 13.296 475 HD12 LEU 64 2HD1 LEU 64 -8.563 -9.990 12.734 476 HD13 LEU 64 3HD1 LEU 64 -7.733 -9.149 14.065 477 HD21 LEU 64 1HD2 LEU 64 -6.326 -8.927 10.327 478 HD22 LEU 64 2HD2 LEU 64 -5.540 -9.434 11.842 479 HD23 LEU 64 3HD2 LEU 64 -7.008 -10.268 11.278 480 H LYS 65 HN LYS 65 -9.443 -5.073 9.642 481 HA LYS 65 HA LYS 65 -10.073 -6.198 7.185 482 HB2 LYS 65 2HB LYS 65 -11.726 -4.600 7.072 483 HB3 LYS 65 3HB LYS 65 -11.417 -4.647 8.795 484 HG2 LYS 65 2HG LYS 65 -9.616 -2.751 8.187 485 HG3 LYS 65 3HG LYS 65 -10.643 -2.531 6.784 486 HD2 LYS 65 2HD LYS 65 -11.735 -2.567 9.633 487 HD3 LYS 65 3HD LYS 65 -11.213 -1.094 8.840 488 HE2 LYS 65 2HE LYS 65 -12.841 -2.020 6.885 489 HE3 LYS 65 3HE LYS 65 -13.597 -2.834 8.240 490 HZ1 LYS 65 1HZ LYS 65 -13.632 -0.568 9.348 491 HZ2 LYS 65 2HZ LYS 65 -13.214 0.087 7.917 492 H LEU 66 HN LEU 66 -7.445 -4.148 8.117 493 HA LEU 66 HA LEU 66 -7.099 -3.153 5.405 494 HB2 LEU 66 2HB LEU 66 -5.450 -2.641 7.883 495 HB3 LEU 66 3HB LEU 66 -5.320 -1.810 6.346 496 HG LEU 66 HG LEU 66 -7.751 -1.737 8.155 497 HD11 LEU 66 1HD1 LEU 66 -5.333 -0.503 8.612 498 HD12 LEU 66 2HD1 LEU 66 -6.263 0.754 7.761 499 HD13 LEU 66 3HD1 LEU 66 -6.911 0.020 9.247 500 HD21 LEU 66 1HD2 LEU 66 -8.874 -0.769 6.504 501 HD22 LEU 66 2HD2 LEU 66 -7.569 0.413 6.242 502 HD23 LEU 66 3HD2 LEU 66 -7.523 -1.161 5.412 503 H PHE 67 HN PHE 67 -6.981 -6.065 6.053 504 HA PHE 67 HA PHE 67 -4.242 -6.797 6.092 505 HB2 PHE 67 2HB PHE 67 -6.002 -8.307 6.904 506 HB3 PHE 67 3HB PHE 67 -6.926 -8.123 5.426 507 HD1 PHE 67 HD1 PHE 67 -6.784 -9.772 3.809 508 HD2 PHE 67 HD2 PHE 67 -3.613 -9.374 6.601 509 HE1 PHE 67 HE1 PHE 67 -5.705 -11.838 2.879 510 HE2 PHE 67 HE2 PHE 67 -2.534 -11.441 5.670 511 HZ PHE 67 HZ PHE 67 -3.593 -12.648 3.820 512 H LEU 68 HN LEU 68 -5.993 -5.216 3.736 513 HA LEU 68 HA LEU 68 -4.499 -6.566 1.595 514 HB2 LEU 68 2HB LEU 68 -7.231 -5.321 1.649 515 HB3 LEU 68 3HB LEU 68 -6.330 -5.437 0.150 516 HG LEU 68 HG LEU 68 -7.376 -7.673 1.884 517 HD11 LEU 68 1HD1 LEU 68 -9.064 -7.420 0.438 518 HD12 LEU 68 2HD1 LEU 68 -8.083 -6.460 -0.696 519 HD13 LEU 68 3HD1 LEU 68 -7.993 -8.238 -0.725 520 HD21 LEU 68 1HD2 LEU 68 -5.412 -8.714 1.458 521 HD22 LEU 68 2HD2 LEU 68 -6.205 -9.050 -0.100 522 HD23 LEU 68 3HD2 LEU 68 -5.049 -7.703 0.039 523 H GLN 69 HN GLN 69 -4.681 -3.854 3.611 524 HA GLN 69 HA GLN 69 -3.871 -1.981 1.602 525 HB2 GLN 69 2HB GLN 69 -4.395 -1.859 4.577 526 HB3 GLN 69 3HB GLN 69 -3.506 -0.558 3.811 527 HG2 GLN 69 2HG GLN 69 -5.446 -0.476 2.076 528 HG3 GLN 69 3HG GLN 69 -6.336 -1.494 3.191 529 HE21 GLN 69 1HE2 GLN 69 -7.818 0.303 3.248 530 HE22 GLN 69 2HE2 GLN 69 -7.552 1.629 4.330 531 H ASN 70 HN ASN 70 -2.360 -4.533 3.087 532 HA ASN 70 HA ASN 70 0.071 -3.192 3.752 533 HB2 ASN 70 2HB ASN 70 0.863 -5.387 4.419 534 HB3 ASN 70 3HB ASN 70 -0.815 -5.300 4.917 535 HD21 ASN 70 1HD2 ASN 70 -2.258 -6.702 4.156 536 HD22 ASN 70 2HD2 ASN 70 -1.958 -7.927 2.968 537 H PHE 71 HN PHE 71 -1.294 -5.355 1.197 538 HA PHE 71 HA PHE 71 1.196 -5.399 -0.249 539 HB2 PHE 71 2HB PHE 71 -1.681 -6.342 -0.802 540 HB3 PHE 71 3HB PHE 71 -0.336 -6.699 -1.867 541 HD1 PHE 71 HD1 PHE 71 1.657 -7.987 -0.825 542 HD2 PHE 71 HD2 PHE 71 -2.195 -7.793 0.945 543 HE1 PHE 71 HE1 PHE 71 2.167 -10.051 0.511 544 HE2 PHE 71 HE2 PHE 71 -1.686 -9.856 2.281 545 HZ PHE 71 HZ PHE 71 0.489 -10.960 2.048 546 H LYS 72 HN LYS 72 -0.905 -2.958 0.250 547 HA LYS 72 HA LYS 72 -0.126 -1.534 -2.014 548 HB2 LYS 72 2HB LYS 72 -1.718 -3.119 -3.133 549 HB3 LYS 72 3HB LYS 72 -3.012 -2.450 -2.159 550 HG2 LYS 72 2HG LYS 72 -3.208 -1.089 -4.033 551 HG3 LYS 72 3HG LYS 72 -2.093 -0.118 -3.092 552 HD2 LYS 72 2HD LYS 72 -0.922 -2.221 -4.908 553 HD3 LYS 72 3HD LYS 72 -1.589 -0.783 -5.656 554 HE2 LYS 72 2HE LYS 72 -0.153 0.475 -3.775 555 HE3 LYS 72 3HE LYS 72 0.758 -1.023 -3.766 556 HZ1 LYS 72 1HZ LYS 72 0.182 0.115 -6.392 557 HZ2 LYS 72 2HZ LYS 72 1.268 0.923 -5.487 558 H ALA 73 HN ALA 73 -0.805 0.693 -1.879 559 HA ALA 73 HA ALA 73 -1.832 1.312 0.789 560 HB1 ALA 73 1HB ALA 73 -0.206 2.861 -1.259 561 HB2 ALA 73 2HB ALA 73 -0.873 3.599 0.217 562 HB3 ALA 73 3HB ALA 73 0.317 2.281 0.341 563 H GLY 74 HN GLY 74 -3.490 0.378 -1.561 564 HA2 GLY 74 1HA GLY 74 -5.490 2.457 -1.372 565 HA3 GLY 74 2HA GLY 74 -4.809 2.259 -2.974 566 H ALA 75 HN ALA 75 -4.963 -0.511 -0.757 567 HA ALA 75 HA ALA 75 -6.616 -1.910 -2.638 568 HB1 ALA 75 1HB ALA 75 -6.012 -3.071 0.038 569 HB2 ALA 75 2HB ALA 75 -5.824 -3.777 -1.585 570 HB3 ALA 75 3HB ALA 75 -4.605 -2.639 -0.963 571 H ARG 76 HN ARG 76 -8.309 -3.482 -1.197 572 HA ARG 76 HA ARG 76 -10.137 -1.482 -0.178 573 HB2 ARG 76 2HB ARG 76 -11.919 -2.997 -0.755 574 HB3 ARG 76 3HB ARG 76 -10.789 -3.071 -2.093 575 HG2 ARG 76 2HG ARG 76 -11.018 -5.343 -1.752 576 HG3 ARG 76 3HG ARG 76 -9.730 -5.059 -0.599 577 HD2 ARG 76 2HD ARG 76 -11.153 -5.229 1.256 578 HD3 ARG 76 3HD ARG 76 -12.559 -4.674 0.370 579 HE ARG 76 HE ARG 76 -11.481 -7.276 -0.512 580 HH11 ARG 76 HH1 ARG 76 -14.260 -9.031 0.612 581 HH21 ARG 76 1HH2 ARG 76 -14.860 -6.985 1.708 582 HH22 ARG 76 2HH2 ARG 76 -13.828 -5.603 1.549 583 H ALA 77 HN ALA 77 -11.578 -2.193 1.719 584 HA ALA 77 HA ALA 77 -9.934 -3.719 3.609 585 HB1 ALA 77 1HB ALA 77 -11.990 -2.372 4.980 586 HB2 ALA 77 2HB ALA 77 -10.276 -1.903 4.892 587 HB3 ALA 77 3HB ALA 77 -11.443 -1.231 3.729 588 H LEU 78 HN LEU 78 -10.873 -5.408 4.842 589 HA LEU 78 HA LEU 78 -12.990 -6.755 3.495 590 HB2 LEU 78 2HB LEU 78 -11.559 -7.373 6.084 591 HB3 LEU 78 3HB LEU 78 -12.661 -8.450 5.249 592 HG LEU 78 HG LEU 78 -10.536 -9.227 4.676 593 HD11 LEU 78 1HD1 LEU 78 -11.998 -9.042 2.730 594 HD12 LEU 78 2HD1 LEU 78 -11.373 -7.409 2.399 595 HD13 LEU 78 3HD1 LEU 78 -10.292 -8.818 2.274 596 HD21 LEU 78 1HD2 LEU 78 -9.571 -6.485 3.867 597 HD22 LEU 78 2HD2 LEU 78 -9.400 -7.102 5.528 598 HD23 LEU 78 3HD2 LEU 78 -8.625 -7.960 4.175 599 H SER 79 HN SER 79 -15.091 -7.274 4.317 600 HA SER 79 HA SER 79 -16.311 -5.118 5.569 601 HB2 SER 79 2HB SER 79 -17.566 -6.548 4.065 602 HB3 SER 79 3HB SER 79 -17.233 -7.970 5.034 603 HG SER 79 HG SER 79 -19.410 -6.979 5.321 604 H ASP 80 HN ASP 80 -17.973 -5.791 7.560 605 HA ASP 80 HA ASP 80 -16.253 -6.073 9.741 606 HB2 ASP 80 2HB ASP 80 -19.223 -5.863 9.304 607 HB3 ASP 80 3HB ASP 80 -18.694 -6.460 10.864 608 HD2 ASP 80 HD2 ASP 80 -18.890 -3.033 11.558 609 H ALA 81 HN ALA 81 -18.450 -8.233 7.906 610 HA ALA 81 HA ALA 81 -18.363 -10.354 9.810 611 HB1 ALA 81 1HB ALA 81 -19.662 -11.541 8.197 612 HB2 ALA 81 2HB ALA 81 -20.185 -9.843 8.085 613 HB3 ALA 81 3HB ALA 81 -19.078 -10.516 6.863 614 H GLU 82 HN GLU 82 -16.624 -9.476 6.777 615 HA GLU 82 HA GLU 82 -15.236 -11.878 6.589 616 HB2 GLU 82 2HB GLU 82 -14.584 -9.087 5.553 617 HB3 GLU 82 3HB GLU 82 -13.677 -10.518 5.106 618 HG2 GLU 82 2HG GLU 82 -15.397 -11.384 3.803 619 HG3 GLU 82 3HG GLU 82 -16.657 -10.700 4.812 620 HE2 GLU 82 HE2 GLU 82 -14.097 -9.340 2.667 621 H THR 83 HN THR 83 -14.391 -8.682 8.071 622 HA THR 83 HA THR 83 -11.823 -9.548 8.931 623 HB THR 83 HB THR 83 -13.661 -7.197 9.600 624 HG1 THR 83 HG1 THR 83 -11.210 -7.736 8.077 625 HG21 THR 83 1HG2 THR 83 -12.102 -7.483 11.506 626 HG22 THR 83 2HG2 THR 83 -10.743 -7.712 10.380 627 HG23 THR 83 3HG2 THR 83 -11.552 -6.130 10.488 628 H LYS 84 HN LYS 84 -15.047 -10.132 10.063 629 HA LYS 84 HA LYS 84 -14.433 -10.378 12.808 630 HB2 LYS 84 2HB LYS 84 -16.707 -11.011 11.006 631 HB3 LYS 84 3HB LYS 84 -16.612 -11.956 12.478 632 HG2 LYS 84 2HG LYS 84 -16.212 -8.970 12.680 633 HG3 LYS 84 3HG LYS 84 -17.839 -9.568 12.423 634 HD2 LYS 84 2HD LYS 84 -16.022 -10.598 14.649 635 HD3 LYS 84 3HD LYS 84 -17.146 -9.271 14.871 636 HE2 LYS 84 2HE LYS 84 -17.855 -12.136 14.084 637 HE3 LYS 84 3HE LYS 84 -18.198 -11.363 15.618 638 HZ1 LYS 84 1HZ LYS 84 -19.990 -11.416 13.711 639 HZ2 LYS 84 2HZ LYS 84 -19.883 -10.116 14.687 640 H ALA 85 HN ALA 85 -14.864 -12.842 10.170 641 HA ALA 85 HA ALA 85 -13.994 -14.971 11.801 642 HB1 ALA 85 1HB ALA 85 -13.634 -15.924 9.318 643 HB2 ALA 85 2HB ALA 85 -15.255 -15.712 10.023 644 HB3 ALA 85 3HB ALA 85 -14.602 -14.488 8.908 645 H PHE 86 HN PHE 86 -12.360 -12.410 10.061 646 HA PHE 86 HA PHE 86 -9.912 -13.810 9.701 647 HB2 PHE 86 2HB PHE 86 -11.075 -11.559 8.685 648 HB3 PHE 86 3HB PHE 86 -10.182 -10.794 9.984 649 HD1 PHE 86 HD1 PHE 86 -8.011 -13.228 9.513 650 HD2 PHE 86 HD2 PHE 86 -9.653 -10.049 7.231 651 HE1 PHE 86 HE1 PHE 86 -5.951 -13.194 8.078 652 HE2 PHE 86 HE2 PHE 86 -7.594 -10.015 5.796 653 HZ PHE 86 HZ PHE 86 -5.767 -11.587 6.237 654 H LEU 87 HN LEU 87 -11.502 -12.302 12.404 655 HA LEU 87 HA LEU 87 -9.063 -11.627 13.768 656 HB2 LEU 87 2HB LEU 87 -11.102 -10.301 14.018 657 HB3 LEU 87 3HB LEU 87 -11.941 -11.687 14.686 658 HG LEU 87 HG LEU 87 -10.457 -11.693 16.631 659 HD11 LEU 87 1HD1 LEU 87 -8.800 -9.973 17.014 660 HD12 LEU 87 2HD1 LEU 87 -8.434 -10.834 15.500 661 HD13 LEU 87 3HD1 LEU 87 -9.174 -9.216 15.447 662 HD21 LEU 87 1HD2 LEU 87 -12.422 -10.470 16.987 663 HD22 LEU 87 2HD2 LEU 87 -11.119 -9.393 17.543 664 HD23 LEU 87 3HD2 LEU 87 -11.881 -9.122 15.958 665 H LYS 88 HN LYS 88 -11.794 -13.926 14.476 666 HA LYS 88 HA LYS 88 -10.293 -15.354 16.368 667 HB2 LYS 88 2HB LYS 88 -12.936 -15.531 15.084 668 HB3 LYS 88 3HB LYS 88 -12.262 -17.086 15.526 669 HG2 LYS 88 2HG LYS 88 -11.821 -15.113 17.653 670 HG3 LYS 88 3HG LYS 88 -13.523 -15.230 17.253 671 HD2 LYS 88 2HD LYS 88 -13.516 -17.651 17.622 672 HD3 LYS 88 3HD LYS 88 -11.773 -17.670 17.800 673 HE2 LYS 88 2HE LYS 88 -12.016 -16.147 19.819 674 HE3 LYS 88 3HE LYS 88 -13.757 -16.292 19.671 675 HZ1 LYS 88 1HZ LYS 88 -13.664 -18.288 20.674 676 HZ2 LYS 88 2HZ LYS 88 -12.545 -18.866 19.642 677 H ALA 89 HN ALA 89 -10.234 -15.269 12.900 678 HA ALA 89 HA ALA 89 -9.593 -17.866 12.253 679 HB1 ALA 89 1HB ALA 89 -9.279 -15.168 11.118 680 HB2 ALA 89 2HB ALA 89 -8.015 -16.304 10.588 681 HB3 ALA 89 3HB ALA 89 -9.731 -16.695 10.323 682 H GLY 90 HN GLY 90 -7.268 -15.153 12.959 683 HA2 GLY 90 1HA GLY 90 -5.218 -17.180 13.540 684 HA3 GLY 90 2HA GLY 90 -4.950 -15.488 13.169 685 H ASP 91 HN ASP 91 -6.926 -14.299 14.908 686 HA ASP 91 HA ASP 91 -5.441 -14.162 17.228 687 HB2 ASP 91 2HB ASP 91 -7.288 -12.579 16.184 688 HB3 ASP 91 3HB ASP 91 -8.408 -13.533 17.136 689 HD2 ASP 91 HD2 ASP 91 -8.874 -11.722 18.418 690 H SER 92 HN SER 92 -5.223 -16.485 17.868 691 HA SER 92 HA SER 92 -7.483 -18.035 18.403 692 HB2 SER 92 2HB SER 92 -4.554 -18.241 18.734 693 HB3 SER 92 3HB SER 92 -5.439 -19.084 19.990 694 HG SER 92 HG SER 92 -5.612 -20.646 18.534 695 H ASP 93 HN ASP 93 -5.199 -16.326 20.511 696 HA ASP 93 HA ASP 93 -6.585 -16.807 22.987 697 HB2 ASP 93 2HB ASP 93 -5.105 -14.822 23.674 698 HB3 ASP 93 3HB ASP 93 -4.266 -16.212 22.989 699 H GLY 94 HN GLY 94 -7.298 -14.677 20.268 700 HA2 GLY 94 1HA GLY 94 -8.605 -12.828 20.086 701 HA3 GLY 94 2HA GLY 94 -9.713 -13.815 21.018 702 H ASP 95 HN ASP 95 -6.854 -11.617 21.459 703 HA ASP 95 HA ASP 95 -7.866 -10.978 24.086 704 HB2 ASP 95 2HB ASP 95 -5.377 -9.856 22.737 705 HB3 ASP 95 3HB ASP 95 -5.725 -9.903 24.454 706 HD2 ASP 95 HD2 ASP 95 -6.030 -12.591 25.040 707 H GLY 96 HN GLY 96 -8.009 -9.919 20.810 708 HA2 GLY 96 1HA GLY 96 -9.615 -8.104 20.442 709 HA3 GLY 96 2HA GLY 96 -8.745 -7.177 21.649 710 H LYS 97 HN LYS 97 -6.553 -9.130 19.884 711 HA LYS 97 HA LYS 97 -6.239 -7.298 17.685 712 HB2 LYS 97 2HB LYS 97 -4.053 -7.504 19.777 713 HB3 LYS 97 3HB LYS 97 -3.959 -6.633 18.260 714 HG2 LYS 97 2HG LYS 97 -5.957 -5.242 19.012 715 HG3 LYS 97 3HG LYS 97 -5.867 -6.041 20.569 716 HD2 LYS 97 2HD LYS 97 -3.514 -4.540 19.335 717 HD3 LYS 97 3HD LYS 97 -4.667 -3.782 20.415 718 HE2 LYS 97 2HE LYS 97 -4.118 -5.526 22.164 719 HE3 LYS 97 3HE LYS 97 -2.904 -6.187 21.087 720 HZ1 LYS 97 1HZ LYS 97 -2.432 -3.442 21.249 721 HZ2 LYS 97 2HZ LYS 97 -2.667 -3.944 22.780 722 H ILE 98 HN ILE 98 -3.975 -8.032 16.540 723 HA ILE 98 HA ILE 98 -3.785 -10.939 16.771 724 HB ILE 98 HB ILE 98 -4.684 -9.362 14.407 725 HG12 ILE 98 2HG1 ILE 98 -5.444 -11.922 15.790 726 HG13 ILE 98 3HG1 ILE 98 -6.430 -10.516 15.439 727 HG21 ILE 98 1HG2 ILE 98 -2.580 -10.307 13.629 728 HG22 ILE 98 2HG2 ILE 98 -3.068 -11.919 14.205 729 HG23 ILE 98 3HG2 ILE 98 -3.961 -11.141 12.876 730 HD11 ILE 98 1HD1 ILE 98 -5.461 -12.656 13.512 731 HD12 ILE 98 2HD1 ILE 98 -7.131 -12.136 13.844 732 HD13 ILE 98 3HD1 ILE 98 -6.033 -11.075 12.928 733 H GLY 99 HN GLY 99 -1.715 -11.146 17.477 734 HA2 GLY 99 1HA GLY 99 0.325 -9.293 16.586 735 HA3 GLY 99 2HA GLY 99 0.491 -10.603 17.739 736 H ILE 100 HN ILE 100 2.548 -11.055 16.539 737 HA ILE 100 HA ILE 100 2.303 -12.018 13.851 738 HB ILE 100 HB ILE 100 4.276 -10.809 15.026 739 HG12 ILE 100 2HG1 ILE 100 4.277 -11.520 12.695 740 HG13 ILE 100 3HG1 ILE 100 5.840 -11.801 13.435 741 HG21 ILE 100 1HG2 ILE 100 4.577 -12.297 16.897 742 HG22 ILE 100 2HG2 ILE 100 4.807 -13.688 15.810 743 HG23 ILE 100 3HG2 ILE 100 6.014 -12.380 15.849 744 HD11 ILE 100 1HD1 ILE 100 3.681 -13.858 12.825 745 HD12 ILE 100 2HD1 ILE 100 5.341 -13.788 12.185 746 HD13 ILE 100 3HD1 ILE 100 5.062 -14.212 13.891 747 H ASP 101 HN ASP 101 2.903 -13.452 17.124 748 HA ASP 101 HA ASP 101 3.195 -16.031 16.339 749 HB2 ASP 101 2HB ASP 101 1.892 -16.415 18.672 750 HB3 ASP 101 3HB ASP 101 3.542 -15.828 18.609 751 HD2 ASP 101 HD2 ASP 101 3.511 -13.793 20.254 752 H GLU 102 HN GLU 102 0.309 -13.969 16.510 753 HA GLU 102 HA GLU 102 -1.459 -16.226 16.285 754 HB2 GLU 102 2HB GLU 102 -1.935 -13.220 16.419 755 HB3 GLU 102 3HB GLU 102 -3.233 -14.380 16.213 756 HG2 GLU 102 2HG GLU 102 -2.870 -15.360 18.359 757 HG3 GLU 102 3HG GLU 102 -1.253 -14.697 18.494 758 H PHE 103 HN PHE 103 -0.344 -13.387 14.343 759 HA PHE 103 HA PHE 103 -1.953 -13.836 12.131 760 HB2 PHE 103 2HB PHE 103 -0.690 -11.769 12.412 761 HB3 PHE 103 3HB PHE 103 0.811 -12.636 12.670 762 HD1 PHE 103 HD1 PHE 103 -1.709 -11.798 10.082 763 HD2 PHE 103 HD2 PHE 103 2.248 -13.112 10.871 764 HE1 PHE 103 HE1 PHE 103 -1.136 -11.529 7.654 765 HE2 PHE 103 HE2 PHE 103 2.822 -12.843 8.442 766 HZ PHE 103 HZ PHE 103 1.123 -12.054 6.863 767 H ALA 104 HN ALA 104 1.012 -15.439 13.244 768 HA ALA 104 HA ALA 104 1.427 -16.698 10.671 769 HB1 ALA 104 1HB ALA 104 3.351 -15.959 12.003 770 HB2 ALA 104 2HB ALA 104 2.823 -16.980 13.363 771 HB3 ALA 104 3HB ALA 104 3.359 -17.732 11.841 772 H ALA 105 HN ALA 105 -0.665 -17.091 13.296 773 HA ALA 105 HA ALA 105 -0.570 -19.966 13.380 774 HB1 ALA 105 1HB ALA 105 -2.210 -19.751 15.083 775 HB2 ALA 105 2HB ALA 105 -1.141 -18.345 15.300 776 HB3 ALA 105 3HB ALA 105 -2.721 -18.147 14.504 777 H MET 106 HN MET 106 -2.932 -17.428 12.283 778 HA MET 106 HA MET 106 -4.793 -19.109 11.253 779 HB2 MET 106 2HB MET 106 -5.317 -17.127 9.708 780 HB3 MET 106 3HB MET 106 -5.172 -16.700 11.402 781 HG2 MET 106 2HG MET 106 -2.588 -16.330 10.723 782 HG3 MET 106 3HG MET 106 -3.278 -16.114 9.127 783 HE1 MET 106 1HE MET 106 -5.772 -14.913 9.118 784 HE2 MET 106 2HE MET 106 -6.296 -15.035 10.815 785 HE3 MET 106 3HE MET 106 -6.100 -13.436 10.057 786 H ILE 107 HN ILE 107 -1.579 -18.356 10.015 787 HA ILE 107 HA ILE 107 -2.231 -19.482 7.413 788 HB ILE 107 HB ILE 107 0.193 -18.872 6.970 789 HG12 ILE 107 2HG1 ILE 107 -0.107 -17.240 9.504 790 HG13 ILE 107 3HG1 ILE 107 0.780 -18.750 9.430 791 HG21 ILE 107 1HG2 ILE 107 -0.355 -16.586 6.488 792 HG22 ILE 107 2HG2 ILE 107 -1.805 -17.584 6.221 793 HG23 ILE 107 3HG2 ILE 107 -1.665 -16.593 7.693 794 HD11 ILE 107 1HD1 ILE 107 1.634 -16.105 8.606 795 HD12 ILE 107 2HD1 ILE 107 2.587 -17.606 8.694 796 HD13 ILE 107 3HD1 ILE 107 1.689 -17.208 7.210 797 H LYS 108 HN LYS 108 -0.238 -20.099 10.351 798 HA LYS 108 HA LYS 108 0.943 -22.445 9.335 799 HB2 LYS 108 2HB LYS 108 1.997 -21.250 11.123 800 HB3 LYS 108 3HB LYS 108 0.570 -21.356 12.134 801 HG2 LYS 108 2HG LYS 108 0.972 -23.557 12.725 802 HG3 LYS 108 3HG LYS 108 1.632 -23.974 11.156 803 HD2 LYS 108 2HD LYS 108 3.631 -22.375 11.889 804 HD3 LYS 108 3HD LYS 108 3.021 -22.666 13.506 805 HE2 LYS 108 2HE LYS 108 3.192 -25.146 13.104 806 HE3 LYS 108 3HE LYS 108 3.852 -24.828 11.512 807 HZ1 LYS 108 1HZ LYS 108 5.103 -24.290 14.125 808 HZ2 LYS 108 2HZ LYS 108 5.741 -25.052 12.835 809 H GLY 109 HN GLY 109 -2.266 -21.683 10.340 810 HA2 GLY 109 1HA GLY 109 -3.506 -23.937 9.624 811 HA3 GLY 109 2HA GLY 109 -2.911 -24.380 11.212 Start of MODEL 20 1 H SER 0 HN SER 0 2.047 -2.033 2.255 2 HA SER 0 HA SER 0 0.951 -0.104 0.360 3 HB2 SER 0 2HB SER 0 2.855 1.382 1.027 4 HB3 SER 0 3HB SER 0 1.762 1.036 2.352 5 HG SER 0 HG SER 0 4.170 0.845 2.759 6 H MET 1 HN MET 1 1.500 -2.544 -0.715 7 HA MET 1 HA MET 1 2.721 -3.679 -2.120 8 HB2 MET 1 2HB MET 1 3.540 -0.805 -2.754 9 HB3 MET 1 3HB MET 1 4.170 -2.134 -3.706 10 HG2 MET 1 2HG MET 1 1.615 -2.848 -3.899 11 HG3 MET 1 3HG MET 1 1.302 -1.183 -3.454 12 HE1 MET 1 1HE MET 1 1.024 -3.172 -6.265 13 HE2 MET 1 2HE MET 1 0.063 -1.695 -6.016 14 HE3 MET 1 3HE MET 1 1.052 -1.876 -7.485 15 H ALA 2 HN ALA 2 3.852 -3.545 0.517 16 HA ALA 2 HA ALA 2 6.681 -3.083 0.181 17 HB1 ALA 2 1HB ALA 2 6.451 -2.676 2.378 18 HB2 ALA 2 2HB ALA 2 4.768 -3.256 2.337 19 HB3 ALA 2 3HB ALA 2 6.097 -4.402 2.634 20 H PHE 3 HN PHE 3 4.331 -5.737 0.094 21 HA PHE 3 HA PHE 3 6.219 -7.807 0.467 22 HB2 PHE 3 2HB PHE 3 3.375 -7.391 -0.492 23 HB3 PHE 3 3HB PHE 3 4.123 -8.910 -0.943 24 HD1 PHE 3 HD1 PHE 3 5.016 -10.408 0.900 25 HD2 PHE 3 HD2 PHE 3 2.518 -7.067 1.677 26 HE1 PHE 3 HE1 PHE 3 4.447 -11.357 3.153 27 HE2 PHE 3 HE2 PHE 3 1.948 -8.016 3.930 28 HZ PHE 3 HZ PHE 3 2.919 -10.150 4.641 29 H ALA 4 HN ALA 4 5.890 -5.561 -2.031 30 HA ALA 4 HA ALA 4 6.075 -7.109 -4.328 31 HB1 ALA 4 1HB ALA 4 5.615 -4.707 -4.334 32 HB2 ALA 4 2HB ALA 4 7.228 -4.370 -3.662 33 HB3 ALA 4 3HB ALA 4 7.070 -5.041 -5.303 34 H SER 5 HN SER 5 8.282 -6.703 -1.679 35 HA SER 5 HA SER 5 10.524 -7.470 -3.337 36 HB2 SER 5 2HB SER 5 10.736 -5.639 -1.604 37 HB3 SER 5 3HB SER 5 10.448 -6.834 -0.355 38 HG SER 5 HG SER 5 12.584 -7.057 -0.414 39 H VAL 6 HN VAL 6 8.631 -8.547 -0.440 40 HA VAL 6 HA VAL 6 10.047 -10.940 -0.072 41 HB VAL 6 HB VAL 6 7.165 -10.407 0.644 42 HG11 VAL 6 1HG1 VAL 6 7.324 -12.326 1.766 43 HG12 VAL 6 2HG1 VAL 6 8.994 -12.533 1.186 44 HG13 VAL 6 3HG1 VAL 6 8.682 -11.670 2.711 45 HG21 VAL 6 1HG2 VAL 6 8.137 -8.452 1.445 46 HG22 VAL 6 2HG2 VAL 6 8.273 -9.544 2.844 47 HG23 VAL 6 3HG2 VAL 6 9.688 -9.246 1.807 48 H LEU 7 HN LEU 7 6.736 -10.399 -1.487 49 HA LEU 7 HA LEU 7 7.212 -12.828 -3.070 50 HB2 LEU 7 2HB LEU 7 4.489 -11.744 -2.445 51 HB3 LEU 7 3HB LEU 7 4.958 -13.364 -2.924 52 HG LEU 7 HG LEU 7 5.698 -12.149 -0.252 53 HD11 LEU 7 1HD1 LEU 7 3.769 -12.860 0.718 54 HD12 LEU 7 2HD1 LEU 7 3.140 -12.509 -0.909 55 HD13 LEU 7 3HD1 LEU 7 3.531 -14.183 -0.448 56 HD21 LEU 7 1HD2 LEU 7 7.134 -13.905 -0.437 57 HD22 LEU 7 2HD2 LEU 7 5.715 -14.771 0.199 58 HD23 LEU 7 3HD2 LEU 7 6.072 -14.809 -1.544 59 H LYS 8 HN LYS 8 5.778 -12.772 -5.177 60 HA LYS 8 HA LYS 8 6.543 -10.321 -6.513 61 HB2 LYS 8 2HB LYS 8 7.170 -12.352 -7.607 62 HB3 LYS 8 3HB LYS 8 5.553 -13.013 -7.475 63 HG2 LYS 8 2HG LYS 8 4.689 -11.630 -9.167 64 HG3 LYS 8 3HG LYS 8 5.888 -10.379 -8.909 65 HD2 LYS 8 2HD LYS 8 6.514 -11.411 -10.972 66 HD3 LYS 8 3HD LYS 8 7.646 -12.041 -9.793 67 HE2 LYS 8 2HE LYS 8 6.152 -14.076 -9.522 68 HE3 LYS 8 3HE LYS 8 5.136 -13.457 -10.809 69 HZ1 LYS 8 1HZ LYS 8 7.652 -14.787 -11.028 70 HZ2 LYS 8 2HZ LYS 8 6.556 -14.491 -12.196 71 H ASP 9 HN ASP 9 5.188 -8.638 -6.801 72 HA ASP 9 HA ASP 9 2.731 -8.486 -5.748 73 HB2 ASP 9 2HB ASP 9 4.269 -6.702 -6.933 74 HB3 ASP 9 3HB ASP 9 3.366 -7.106 -8.380 75 HD2 ASP 9 HD2 ASP 9 0.420 -6.602 -6.690 76 H ALA 10 HN ALA 10 3.716 -9.564 -9.053 77 HA ALA 10 HA ALA 10 1.131 -9.762 -10.124 78 HB1 ALA 10 1HB ALA 10 2.222 -10.597 -11.975 79 HB2 ALA 10 2HB ALA 10 3.606 -9.847 -11.145 80 HB3 ALA 10 3HB ALA 10 3.329 -11.600 -11.008 81 H GLU 11 HN GLU 11 3.112 -11.870 -8.045 82 HA GLU 11 HA GLU 11 1.470 -14.134 -8.477 83 HB2 GLU 11 2HB GLU 11 3.763 -13.418 -6.667 84 HB3 GLU 11 3HB GLU 11 2.768 -14.786 -6.211 85 HG2 GLU 11 2HG GLU 11 4.060 -14.452 -8.959 86 HG3 GLU 11 3HG GLU 11 4.755 -15.398 -7.657 87 HE2 GLU 11 HE2 GLU 11 3.542 -16.231 -10.281 88 H VAL 12 HN VAL 12 2.049 -12.048 -5.544 89 HA VAL 12 HA VAL 12 -0.031 -13.054 -4.045 90 HB VAL 12 HB VAL 12 0.178 -11.011 -2.748 91 HG11 VAL 12 1HG1 VAL 12 2.579 -11.130 -2.244 92 HG12 VAL 12 2HG1 VAL 12 1.890 -12.752 -2.492 93 HG13 VAL 12 3HG1 VAL 12 2.863 -11.993 -3.775 94 HG21 VAL 12 1HG2 VAL 12 0.835 -9.831 -5.242 95 HG22 VAL 12 2HG2 VAL 12 0.681 -9.039 -3.656 96 HG23 VAL 12 3HG2 VAL 12 2.262 -9.655 -4.194 97 H THR 13 HN THR 13 -0.027 -10.797 -6.777 98 HA THR 13 HA THR 13 -2.396 -9.469 -6.414 99 HB THR 13 HB THR 13 -0.754 -10.443 -8.754 100 HG1 THR 13 HG1 THR 13 -0.294 -8.270 -8.587 101 HG21 THR 13 1HG2 THR 13 -3.069 -10.674 -9.632 102 HG22 THR 13 2HG2 THR 13 -3.492 -9.081 -8.960 103 HG23 THR 13 3HG2 THR 13 -2.315 -9.202 -10.289 104 H ALA 14 HN ALA 14 -1.929 -12.770 -7.818 105 HA ALA 14 HA ALA 14 -4.542 -13.259 -8.489 106 HB1 ALA 14 1HB ALA 14 -3.047 -15.507 -7.248 107 HB2 ALA 14 2HB ALA 14 -3.773 -15.370 -8.868 108 HB3 ALA 14 3HB ALA 14 -2.185 -14.636 -8.539 109 H ALA 15 HN ALA 15 -2.982 -13.131 -5.298 110 HA ALA 15 HA ALA 15 -5.210 -14.383 -3.983 111 HB1 ALA 15 1HB ALA 15 -2.508 -13.930 -3.423 112 HB2 ALA 15 2HB ALA 15 -3.368 -12.841 -2.309 113 HB3 ALA 15 3HB ALA 15 -3.724 -14.585 -2.300 114 H LEU 16 HN LEU 16 -4.056 -11.108 -4.798 115 HA LEU 16 HA LEU 16 -5.796 -9.764 -3.020 116 HB2 LEU 16 2HB LEU 16 -3.986 -9.064 -5.263 117 HB3 LEU 16 3HB LEU 16 -5.268 -7.925 -4.905 118 HG LEU 16 HG LEU 16 -3.453 -8.934 -2.721 119 HD11 LEU 16 1HD1 LEU 16 -2.560 -7.511 -4.996 120 HD12 LEU 16 2HD1 LEU 16 -2.616 -6.351 -3.647 121 HD13 LEU 16 3HD1 LEU 16 -1.677 -7.854 -3.489 122 HD21 LEU 16 1HD2 LEU 16 -5.601 -6.988 -2.955 123 HD22 LEU 16 2HD2 LEU 16 -4.836 -7.684 -1.507 124 HD23 LEU 16 3HD2 LEU 16 -4.113 -6.264 -2.299 125 H ASP 17 HN ASP 17 -6.070 -11.089 -6.317 126 HA ASP 17 HA ASP 17 -8.488 -9.715 -6.837 127 HB2 ASP 17 2HB ASP 17 -6.721 -10.782 -8.483 128 HB3 ASP 17 3HB ASP 17 -7.598 -12.274 -8.209 129 HD2 ASP 17 HD2 ASP 17 -8.817 -9.399 -10.563 130 H GLY 18 HN GLY 18 -7.490 -12.557 -5.077 131 HA2 GLY 18 1HA GLY 18 -9.836 -14.145 -5.410 132 HA3 GLY 18 2HA GLY 18 -8.579 -14.333 -4.203 133 H CYS 19 HN CYS 19 -9.268 -11.157 -3.823 134 HA CYS 19 HA CYS 19 -11.585 -11.668 -2.110 135 HB2 CYS 19 2HB CYS 19 -10.472 -9.919 -0.541 136 HB3 CYS 19 3HB CYS 19 -9.936 -11.586 -0.481 137 HG CYS 19 HG CYS 19 -7.704 -11.352 -1.338 138 H LYS 20 HN LYS 20 -11.195 -10.581 -4.908 139 HA LYS 20 HA LYS 20 -11.536 -7.741 -4.638 140 HB2 LYS 20 2HB LYS 20 -11.198 -9.701 -6.842 141 HB3 LYS 20 3HB LYS 20 -12.148 -8.279 -7.225 142 HG2 LYS 20 2HG LYS 20 -9.386 -8.181 -5.922 143 HG3 LYS 20 3HG LYS 20 -9.660 -8.012 -7.645 144 HD2 LYS 20 2HD LYS 20 -10.530 -6.141 -5.415 145 HD3 LYS 20 3HD LYS 20 -9.540 -5.772 -6.813 146 HE2 LYS 20 2HE LYS 20 -12.534 -6.340 -6.766 147 HE3 LYS 20 3HE LYS 20 -11.742 -4.848 -7.231 148 HZ1 LYS 20 1HZ LYS 20 -12.116 -5.825 -9.276 149 HZ2 LYS 20 2HZ LYS 20 -10.623 -6.412 -9.000 150 H ALA 21 HN ALA 21 -13.507 -10.567 -4.392 151 HA ALA 21 HA ALA 21 -15.911 -9.061 -5.096 152 HB1 ALA 21 1HB ALA 21 -16.341 -11.069 -6.043 153 HB2 ALA 21 2HB ALA 21 -15.064 -11.881 -5.107 154 HB3 ALA 21 3HB ALA 21 -16.673 -11.631 -4.388 155 H ALA 22 HN ALA 22 -16.469 -7.728 -3.410 156 HA ALA 22 HA ALA 22 -15.872 -7.948 -0.801 157 HB1 ALA 22 1HB ALA 22 -18.626 -7.105 -1.752 158 HB2 ALA 22 2HB ALA 22 -17.666 -6.440 -0.408 159 HB3 ALA 22 3HB ALA 22 -17.171 -6.138 -2.090 160 H GLY 23 HN GLY 23 -16.453 -9.170 0.965 161 HA2 GLY 23 1HA GLY 23 -17.515 -10.735 2.195 162 HA3 GLY 23 2HA GLY 23 -18.870 -10.663 1.086 163 H SER 24 HN SER 24 -15.762 -11.212 -0.415 164 HA SER 24 HA SER 24 -16.344 -14.068 -0.467 165 HB2 SER 24 2HB SER 24 -16.161 -14.184 -2.770 166 HB3 SER 24 3HB SER 24 -16.822 -12.567 -2.621 167 HG SER 24 HG SER 24 -14.326 -13.384 -3.539 168 H PHE 25 HN PHE 25 -14.398 -11.982 0.934 169 HA PHE 25 HA PHE 25 -11.829 -12.735 -0.031 170 HB2 PHE 25 2HB PHE 25 -12.001 -10.607 1.066 171 HB3 PHE 25 3HB PHE 25 -13.088 -11.226 2.292 172 HD1 PHE 25 HD1 PHE 25 -9.617 -10.730 1.345 173 HD2 PHE 25 HD2 PHE 25 -12.200 -12.494 4.212 174 HE1 PHE 25 HE1 PHE 25 -7.690 -10.965 2.936 175 HE2 PHE 25 HE2 PHE 25 -10.273 -12.729 5.803 176 HZ PHE 25 HZ PHE 25 -8.041 -11.962 5.146 177 H ASP 26 HN ASP 26 -10.413 -14.302 0.721 178 HA ASP 26 HA ASP 26 -11.284 -15.781 3.060 179 HB2 ASP 26 2HB ASP 26 -10.875 -16.796 0.268 180 HB3 ASP 26 3HB ASP 26 -10.211 -17.794 1.546 181 HD2 ASP 26 HD2 ASP 26 -12.921 -19.388 2.067 182 H HIS 27 HN HIS 27 -9.514 -14.902 4.286 183 HA HIS 27 HA HIS 27 -7.039 -14.289 3.512 184 HB2 HIS 27 2HB HIS 27 -6.304 -14.820 5.811 185 HB3 HIS 27 3HB HIS 27 -7.799 -13.908 5.752 186 HD1 HIS 27 HD1 HIS 27 -6.423 -17.301 6.651 187 HD2 HIS 27 HD2 HIS 27 -10.086 -15.258 6.719 188 HE1 HIS 27 HE1 HIS 27 -8.009 -18.724 8.055 189 H LYS 28 HN LYS 28 -7.960 -17.594 4.728 190 HA LYS 28 HA LYS 28 -5.618 -18.871 4.330 191 HB2 LYS 28 2HB LYS 28 -8.481 -19.671 4.273 192 HB3 LYS 28 3HB LYS 28 -7.343 -20.818 3.595 193 HG2 LYS 28 2HG LYS 28 -5.966 -20.651 5.706 194 HG3 LYS 28 3HG LYS 28 -7.174 -19.576 6.382 195 HD2 LYS 28 2HD LYS 28 -7.931 -22.331 5.333 196 HD3 LYS 28 3HD LYS 28 -7.328 -22.117 6.965 197 HE2 LYS 28 2HE LYS 28 -9.192 -20.205 7.080 198 HE3 LYS 28 3HE LYS 28 -9.902 -21.094 5.747 199 HZ1 LYS 28 1HZ LYS 28 -10.632 -22.622 7.201 200 HZ2 LYS 28 2HZ LYS 28 -9.135 -22.913 7.772 201 H LYS 29 HN LYS 29 -8.147 -18.178 1.839 202 HA LYS 29 HA LYS 29 -6.794 -19.480 -0.242 203 HB2 LYS 29 2HB LYS 29 -9.023 -17.485 -0.034 204 HB3 LYS 29 3HB LYS 29 -8.299 -17.780 -1.602 205 HG2 LYS 29 2HG LYS 29 -10.313 -19.265 -0.961 206 HG3 LYS 29 3HG LYS 29 -8.900 -20.088 -1.592 207 HD2 LYS 29 2HD LYS 29 -8.148 -20.615 0.722 208 HD3 LYS 29 3HD LYS 29 -9.518 -19.744 1.381 209 HE2 LYS 29 2HE LYS 29 -10.955 -21.383 -0.133 210 HE3 LYS 29 3HE LYS 29 -9.504 -22.366 -0.143 211 HZ1 LYS 29 1HZ LYS 29 -9.929 -21.588 2.501 212 HZ2 LYS 29 2HZ LYS 29 -11.378 -22.081 1.946 213 H PHE 30 HN PHE 30 -6.654 -16.149 1.089 214 HA PHE 30 HA PHE 30 -5.138 -15.034 -0.959 215 HB2 PHE 30 2HB PHE 30 -6.380 -14.115 1.234 216 HB3 PHE 30 3HB PHE 30 -4.841 -14.408 2.020 217 HD1 PHE 30 HD1 PHE 30 -6.760 -12.038 0.300 218 HD2 PHE 30 HD2 PHE 30 -2.754 -13.352 0.777 219 HE1 PHE 30 HE1 PHE 30 -5.933 -9.802 -0.487 220 HE2 PHE 30 HE2 PHE 30 -1.927 -11.116 -0.010 221 HZ PHE 30 HZ PHE 30 -3.526 -9.368 -0.633 222 H PHE 31 HN PHE 31 -3.994 -16.138 2.319 223 HA PHE 31 HA PHE 31 -1.317 -15.885 1.824 224 HB2 PHE 31 2HB PHE 31 -2.986 -17.893 3.444 225 HB3 PHE 31 3HB PHE 31 -1.244 -17.801 3.607 226 HD1 PHE 31 HD1 PHE 31 -3.715 -17.202 5.558 227 HD2 PHE 31 HD2 PHE 31 -0.891 -14.825 3.463 228 HE1 PHE 31 HE1 PHE 31 -3.970 -15.387 7.273 229 HE2 PHE 31 HE2 PHE 31 -1.147 -13.010 5.178 230 HZ PHE 31 HZ PHE 31 -2.683 -13.313 7.062 231 H LYS 32 HN LYS 32 -3.578 -18.257 0.557 232 HA LYS 32 HA LYS 32 -1.571 -20.214 -0.022 233 HB2 LYS 32 2HB LYS 32 -4.503 -19.918 -0.357 234 HB3 LYS 32 3HB LYS 32 -3.701 -20.904 -1.563 235 HG2 LYS 32 2HG LYS 32 -2.911 -22.464 0.034 236 HG3 LYS 32 3HG LYS 32 -3.035 -21.325 1.361 237 HD2 LYS 32 2HD LYS 32 -4.850 -22.919 1.599 238 HD3 LYS 32 3HD LYS 32 -5.556 -21.387 1.122 239 HE2 LYS 32 2HE LYS 32 -6.637 -22.880 -0.338 240 HE3 LYS 32 3HE LYS 32 -5.319 -22.302 -1.339 241 HZ1 LYS 32 1HZ LYS 32 -5.753 -24.945 -0.319 242 HZ2 LYS 32 2HZ LYS 32 -4.786 -24.470 -1.541 243 H ALA 33 HN ALA 33 -3.488 -17.791 -1.922 244 HA ALA 33 HA ALA 33 -2.177 -18.362 -4.346 245 HB1 ALA 33 1HB ALA 33 -4.019 -17.192 -4.913 246 HB2 ALA 33 2HB ALA 33 -4.172 -16.502 -3.280 247 HB3 ALA 33 3HB ALA 33 -3.105 -15.729 -4.476 248 H CYS 34 HN CYS 34 -1.339 -16.483 -1.487 249 HA CYS 34 HA CYS 34 0.704 -15.030 -2.929 250 HB2 CYS 34 2HB CYS 34 -0.255 -14.955 -0.057 251 HB3 CYS 34 3HB CYS 34 1.172 -14.090 -0.594 252 HG CYS 34 HG CYS 34 -0.193 -12.164 -0.984 253 H GLY 35 HN GLY 35 0.186 -17.905 -0.945 254 HA2 GLY 35 1HA GLY 35 1.660 -19.683 -0.827 255 HA3 GLY 35 2HA GLY 35 2.989 -18.641 -1.294 256 H LEU 36 HN LEU 36 1.674 -16.627 0.830 257 HA LEU 36 HA LEU 36 3.510 -16.846 2.784 258 HB2 LEU 36 2HB LEU 36 0.746 -15.749 2.649 259 HB3 LEU 36 3HB LEU 36 1.497 -15.865 4.228 260 HG LEU 36 HG LEU 36 2.815 -14.471 1.888 261 HD11 LEU 36 1HD1 LEU 36 0.954 -13.332 3.985 262 HD12 LEU 36 2HD1 LEU 36 2.049 -12.347 2.984 263 HD13 LEU 36 3HD1 LEU 36 0.761 -13.306 2.216 264 HD21 LEU 36 1HD2 LEU 36 4.524 -14.046 3.251 265 HD22 LEU 36 2HD2 LEU 36 3.448 -13.551 4.580 266 HD23 LEU 36 3HD2 LEU 36 3.833 -15.273 4.340 267 H SER 37 HN SER 37 0.682 -18.898 2.259 268 HA SER 37 HA SER 37 0.534 -19.933 4.836 269 HB2 SER 37 2HB SER 37 -1.289 -20.196 3.224 270 HB3 SER 37 3HB SER 37 -0.260 -21.107 2.137 271 HG SER 37 HG SER 37 -1.728 -21.997 4.282 272 H GLY 38 HN GLY 38 2.221 -21.065 1.829 273 HA2 GLY 38 1HA GLY 38 3.515 -23.220 3.304 274 HA3 GLY 38 2HA GLY 38 3.591 -22.903 1.582 275 H LYS 39 HN LYS 39 3.994 -19.964 3.273 276 HA LYS 39 HA LYS 39 6.720 -19.808 2.500 277 HB2 LYS 39 2HB LYS 39 4.745 -17.995 3.851 278 HB3 LYS 39 3HB LYS 39 6.450 -17.592 3.903 279 HG2 LYS 39 2HG LYS 39 4.793 -18.090 1.385 280 HG3 LYS 39 3HG LYS 39 5.386 -16.537 1.941 281 HD2 LYS 39 2HD LYS 39 7.756 -17.837 1.865 282 HD3 LYS 39 3HD LYS 39 6.906 -18.814 0.685 283 HE2 LYS 39 2HE LYS 39 6.226 -16.590 -0.459 284 HE3 LYS 39 3HE LYS 39 7.392 -15.807 0.588 285 HZ1 LYS 39 1HZ LYS 39 7.943 -17.111 -1.788 286 HZ2 LYS 39 2HZ LYS 39 9.041 -16.532 -0.734 287 H SER 40 HN SER 40 8.219 -18.681 4.391 288 HA SER 40 HA SER 40 8.480 -20.843 6.260 289 HB2 SER 40 2HB SER 40 10.336 -19.484 4.854 290 HB3 SER 40 3HB SER 40 10.322 -18.465 6.280 291 HG SER 40 HG SER 40 11.839 -20.436 6.170 292 H THR 41 HN THR 41 8.749 -20.457 8.616 293 HA THR 41 HA THR 41 6.786 -18.651 9.595 294 HB THR 41 HB THR 41 8.787 -20.631 10.731 295 HG1 THR 41 HG1 THR 41 6.534 -21.022 9.791 296 HG21 THR 41 1HG2 THR 41 8.817 -19.485 12.723 297 HG22 THR 41 2HG2 THR 41 7.590 -18.327 12.156 298 HG23 THR 41 3HG2 THR 41 7.088 -19.893 12.836 299 H ASP 42 HN ASP 42 10.246 -18.434 8.981 300 HA ASP 42 HA ASP 42 10.749 -16.382 10.798 301 HB2 ASP 42 2HB ASP 42 12.665 -17.468 9.946 302 HB3 ASP 42 3HB ASP 42 12.071 -17.445 8.298 303 HD2 ASP 42 HD2 ASP 42 13.328 -13.821 9.373 304 H GLU 43 HN GLU 43 10.468 -16.327 7.154 305 HA GLU 43 HA GLU 43 10.406 -13.629 6.862 306 HB2 GLU 43 2HB GLU 43 9.707 -14.031 4.647 307 HB3 GLU 43 3HB GLU 43 10.493 -15.533 5.093 308 HG2 GLU 43 2HG GLU 43 8.284 -16.543 5.650 309 HG3 GLU 43 3HG GLU 43 7.482 -15.035 5.257 310 HE2 GLU 43 HE2 GLU 43 7.233 -14.803 2.630 311 H VAL 44 HN VAL 44 7.767 -15.879 7.751 312 HA VAL 44 HA VAL 44 5.559 -14.374 7.313 313 HB VAL 44 HB VAL 44 6.330 -16.237 9.548 314 HG11 VAL 44 1HG1 VAL 44 3.765 -14.701 9.178 315 HG12 VAL 44 2HG1 VAL 44 3.750 -16.324 9.909 316 HG13 VAL 44 3HG1 VAL 44 4.692 -15.016 10.665 317 HG21 VAL 44 1HG2 VAL 44 4.133 -16.941 7.725 318 HG22 VAL 44 2HG2 VAL 44 5.695 -16.694 6.907 319 HG23 VAL 44 3HG2 VAL 44 5.559 -17.883 8.225 320 H LYS 45 HN LYS 45 7.834 -14.155 10.121 321 HA LYS 45 HA LYS 45 6.406 -12.129 11.427 322 HB2 LYS 45 2HB LYS 45 9.245 -13.138 11.570 323 HB3 LYS 45 3HB LYS 45 8.724 -11.763 12.521 324 HG2 LYS 45 2HG LYS 45 8.201 -13.443 14.028 325 HG3 LYS 45 3HG LYS 45 6.686 -13.399 13.149 326 HD2 LYS 45 2HD LYS 45 7.095 -15.405 12.043 327 HD3 LYS 45 3HD LYS 45 8.830 -15.163 12.009 328 HE2 LYS 45 2HE LYS 45 8.666 -16.865 13.605 329 HE3 LYS 45 3HE LYS 45 8.658 -15.452 14.641 330 HZ1 LYS 45 1HZ LYS 45 6.484 -17.281 14.062 331 HZ2 LYS 45 2HZ LYS 45 6.751 -16.396 15.403 332 H LYS 46 HN LYS 46 8.793 -12.138 8.779 333 HA LYS 46 HA LYS 46 9.197 -9.312 8.907 334 HB2 LYS 46 2HB LYS 46 9.851 -11.059 6.541 335 HB3 LYS 46 3HB LYS 46 10.666 -9.613 7.103 336 HG2 LYS 46 2HG LYS 46 10.682 -12.374 8.391 337 HG3 LYS 46 3HG LYS 46 12.049 -11.489 7.744 338 HD2 LYS 46 2HD LYS 46 10.393 -10.485 10.103 339 HD3 LYS 46 3HD LYS 46 11.825 -11.476 10.299 340 HE2 LYS 46 2HE LYS 46 12.621 -9.237 10.510 341 HE3 LYS 46 3HE LYS 46 13.079 -9.709 8.886 342 HZ1 LYS 46 1HZ LYS 46 11.191 -7.700 9.699 343 HZ2 LYS 46 2HZ LYS 46 11.967 -7.857 8.276 344 H ALA 47 HN ALA 47 6.782 -11.471 7.623 345 HA ALA 47 HA ALA 47 5.905 -9.616 5.599 346 HB1 ALA 47 1HB ALA 47 5.249 -12.374 6.528 347 HB2 ALA 47 2HB ALA 47 3.923 -11.450 5.782 348 HB3 ALA 47 3HB ALA 47 5.428 -11.735 4.876 349 H PHE 48 HN PHE 48 5.068 -10.612 8.940 350 HA PHE 48 HA PHE 48 2.601 -9.322 9.069 351 HB2 PHE 48 2HB PHE 48 3.334 -10.948 10.750 352 HB3 PHE 48 3HB PHE 48 4.826 -10.075 11.037 353 HD1 PHE 48 HD1 PHE 48 1.368 -10.436 11.966 354 HD2 PHE 48 HD2 PHE 48 4.739 -7.874 12.248 355 HE1 PHE 48 HE1 PHE 48 0.296 -9.238 13.894 356 HE2 PHE 48 HE2 PHE 48 3.668 -6.676 14.176 357 HZ PHE 48 HZ PHE 48 1.459 -7.372 14.976 358 H ALA 49 HN ALA 49 5.870 -8.077 8.992 359 HA ALA 49 HA ALA 49 5.140 -5.600 10.295 360 HB1 ALA 49 1HB ALA 49 7.335 -6.366 10.774 361 HB2 ALA 49 2HB ALA 49 7.665 -6.745 9.066 362 HB3 ALA 49 3HB ALA 49 7.560 -5.050 9.597 363 H ILE 50 HN ILE 50 4.716 -7.026 7.244 364 HA ILE 50 HA ILE 50 5.262 -4.747 5.633 365 HB ILE 50 HB ILE 50 3.623 -7.226 5.094 366 HG12 ILE 50 2HG1 ILE 50 6.062 -7.544 5.734 367 HG13 ILE 50 3HG1 ILE 50 5.552 -8.228 4.203 368 HG21 ILE 50 1HG2 ILE 50 4.538 -6.407 2.675 369 HG22 ILE 50 2HG2 ILE 50 2.930 -6.016 3.329 370 HG23 ILE 50 3HG2 ILE 50 4.258 -4.840 3.472 371 HD11 ILE 50 1HD1 ILE 50 6.675 -5.417 4.265 372 HD12 ILE 50 2HD1 ILE 50 7.776 -6.815 4.314 373 HD13 ILE 50 3HD1 ILE 50 6.676 -6.597 2.932 374 H ILE 51 HN ILE 51 2.280 -6.240 7.045 375 HA ILE 51 HA ILE 51 0.568 -4.268 5.986 376 HB ILE 51 HB ILE 51 0.026 -5.923 8.435 377 HG12 ILE 51 2HG1 ILE 51 -0.843 -7.323 6.124 378 HG13 ILE 51 3HG1 ILE 51 0.839 -6.911 5.856 379 HG21 ILE 51 1HG2 ILE 51 -2.030 -5.684 6.374 380 HG22 ILE 51 2HG2 ILE 51 -2.113 -5.376 8.125 381 HG23 ILE 51 3HG2 ILE 51 -1.513 -4.111 7.027 382 HD11 ILE 51 1HD1 ILE 51 -0.373 -8.714 7.905 383 HD12 ILE 51 2HD1 ILE 51 1.202 -8.822 7.083 384 HD13 ILE 51 3HD1 ILE 51 0.991 -7.715 8.460 385 H ASP 52 HN ASP 52 1.838 -4.802 9.352 386 HA ASP 52 HA ASP 52 0.819 -2.732 10.610 387 HB2 ASP 52 2HB ASP 52 3.768 -3.530 10.666 388 HB3 ASP 52 3HB ASP 52 2.977 -2.580 11.908 389 HD2 ASP 52 HD2 ASP 52 4.053 -4.913 12.824 390 H GLN 53 HN GLN 53 0.500 -0.679 9.681 391 HA GLN 53 HA GLN 53 2.610 0.435 8.083 392 HB2 GLN 53 2HB GLN 53 -0.061 1.701 8.820 393 HB3 GLN 53 3HB GLN 53 0.993 2.156 7.496 394 HG2 GLN 53 2HG GLN 53 0.684 -0.320 6.676 395 HG3 GLN 53 3HG GLN 53 -0.674 -0.369 7.782 396 HE21 GLN 53 1HE2 GLN 53 -2.564 0.413 7.176 397 HE22 GLN 53 2HE2 GLN 53 -2.887 1.347 5.754 398 H ASP 54 HN ASP 54 1.580 0.442 11.286 399 HA ASP 54 HA ASP 54 3.131 2.939 11.896 400 HB2 ASP 54 2HB ASP 54 1.616 2.984 13.930 401 HB3 ASP 54 3HB ASP 54 0.775 3.192 12.395 402 H LYS 55 HN LYS 55 2.914 -0.557 12.316 403 HA LYS 55 HA LYS 55 4.101 -1.987 13.504 404 HB2 LYS 55 2HB LYS 55 6.122 0.118 14.219 405 HB3 LYS 55 3HB LYS 55 6.367 -1.573 13.834 406 HG2 LYS 55 2HG LYS 55 5.523 0.611 11.871 407 HG3 LYS 55 3HG LYS 55 7.102 -0.144 11.955 408 HD2 LYS 55 2HD LYS 55 5.900 -2.396 11.540 409 HD3 LYS 55 3HD LYS 55 4.468 -1.458 11.165 410 HE2 LYS 55 2HE LYS 55 5.794 -2.049 9.117 411 HE3 LYS 55 3HE LYS 55 5.611 -0.319 9.321 412 HZ1 LYS 55 1HZ LYS 55 8.022 -1.929 9.931 413 HZ2 LYS 55 2HZ LYS 55 7.895 -0.706 8.864 414 H SER 56 HN SER 56 1.903 -0.621 14.748 415 HA SER 56 HA SER 56 2.494 0.414 17.213 416 HB2 SER 56 2HB SER 56 0.099 -0.704 17.726 417 HB3 SER 56 3HB SER 56 0.268 0.717 16.716 418 HG SER 56 HG SER 56 -0.642 -0.429 15.164 419 H GLY 57 HN GLY 57 2.879 -2.812 16.008 420 HA2 GLY 57 1HA GLY 57 4.242 -4.258 17.396 421 HA3 GLY 57 2HA GLY 57 3.249 -3.810 18.769 422 H PHE 58 HN PHE 58 0.692 -3.829 17.194 423 HA PHE 58 HA PHE 58 0.511 -6.691 16.600 424 HB2 PHE 58 2HB PHE 58 -1.301 -4.894 18.320 425 HB3 PHE 58 3HB PHE 58 -1.756 -6.515 17.832 426 HD1 PHE 58 HD1 PHE 58 -1.414 -8.194 19.365 427 HD2 PHE 58 HD2 PHE 58 1.136 -4.804 19.475 428 HE1 PHE 58 HE1 PHE 58 -0.260 -9.128 21.389 429 HE2 PHE 58 HE2 PHE 58 2.290 -5.738 21.499 430 HZ PHE 58 HZ PHE 58 1.578 -7.888 22.431 431 H ILE 59 HN ILE 59 -2.178 -6.859 15.960 432 HA ILE 59 HA ILE 59 -2.524 -4.784 13.914 433 HB ILE 59 HB ILE 59 -2.684 -7.775 13.615 434 HG12 ILE 59 2HG1 ILE 59 -1.192 -5.653 12.044 435 HG13 ILE 59 3HG1 ILE 59 -0.487 -6.677 13.279 436 HG21 ILE 59 1HG2 ILE 59 -4.338 -7.607 12.151 437 HG22 ILE 59 2HG2 ILE 59 -4.446 -5.856 12.453 438 HG23 ILE 59 3HG2 ILE 59 -3.368 -6.475 11.178 439 HD11 ILE 59 1HD1 ILE 59 -1.865 -7.728 10.765 440 HD12 ILE 59 2HD1 ILE 59 -0.104 -7.547 10.956 441 HD13 ILE 59 3HD1 ILE 59 -0.997 -8.698 11.979 442 H GLU 60 HN GLU 60 -3.892 -3.778 15.590 443 HA GLU 60 HA GLU 60 -5.976 -5.023 16.813 444 HB2 GLU 60 2HB GLU 60 -5.630 -2.158 15.853 445 HB3 GLU 60 3HB GLU 60 -7.027 -2.654 16.787 446 HG2 GLU 60 2HG GLU 60 -5.551 -1.921 18.467 447 HG3 GLU 60 3HG GLU 60 -5.285 -3.653 18.477 448 HE2 GLU 60 HE2 GLU 60 -2.455 -1.488 16.591 449 H GLU 61 HN GLU 61 -8.416 -4.583 16.366 450 HA GLU 61 HA GLU 61 -9.126 -5.881 14.090 451 HB2 GLU 61 2HB GLU 61 -10.501 -5.352 16.217 452 HB3 GLU 61 3HB GLU 61 -10.904 -3.825 15.457 453 HG2 GLU 61 2HG GLU 61 -11.845 -5.045 13.490 454 HG3 GLU 61 3HG GLU 61 -11.424 -6.576 14.231 455 HE2 GLU 61 HE2 GLU 61 -14.638 -6.533 15.359 456 H GLU 62 HN GLU 62 -8.793 -2.346 14.681 457 HA GLU 62 HA GLU 62 -9.916 -1.555 12.267 458 HB2 GLU 62 2HB GLU 62 -7.867 -0.191 14.066 459 HB3 GLU 62 3HB GLU 62 -8.654 0.604 12.717 460 HG2 GLU 62 2HG GLU 62 -10.890 0.136 13.754 461 HG3 GLU 62 3HG GLU 62 -10.094 -0.641 15.108 462 HE2 GLU 62 HE2 GLU 62 -9.227 3.247 14.667 463 H GLU 63 HN GLU 63 -6.804 -2.950 13.096 464 HA GLU 63 HA GLU 63 -5.595 -1.995 10.671 465 HB2 GLU 63 2HB GLU 63 -4.610 -3.764 12.943 466 HB3 GLU 63 3HB GLU 63 -3.647 -3.453 11.513 467 HG2 GLU 63 2HG GLU 63 -4.216 -0.898 12.064 468 HG3 GLU 63 3HG GLU 63 -4.511 -1.523 13.675 469 H LEU 64 HN LEU 64 -7.104 -4.929 12.027 470 HA LEU 64 HA LEU 64 -6.196 -6.819 10.254 471 HB2 LEU 64 2HB LEU 64 -8.610 -6.448 11.941 472 HB3 LEU 64 3HB LEU 64 -8.704 -7.666 10.685 473 HG LEU 64 HG LEU 64 -6.572 -7.559 12.838 474 HD11 LEU 64 1HD1 LEU 64 -8.159 -8.350 14.189 475 HD12 LEU 64 2HD1 LEU 64 -9.294 -8.616 12.844 476 HD13 LEU 64 3HD1 LEU 64 -8.071 -9.850 13.233 477 HD21 LEU 64 1HD2 LEU 64 -7.007 -10.098 11.455 478 HD22 LEU 64 2HD2 LEU 64 -6.444 -8.800 10.375 479 HD23 LEU 64 3HD2 LEU 64 -5.498 -9.229 11.821 480 H LYS 65 HN LYS 65 -9.129 -4.697 9.949 481 HA LYS 65 HA LYS 65 -9.916 -5.588 7.468 482 HB2 LYS 65 2HB LYS 65 -11.205 -3.563 7.331 483 HB3 LYS 65 3HB LYS 65 -11.231 -4.139 8.985 484 HG2 LYS 65 2HG LYS 65 -9.103 -2.535 9.245 485 HG3 LYS 65 3HG LYS 65 -9.780 -1.752 7.831 486 HD2 LYS 65 2HD LYS 65 -11.241 -2.237 10.470 487 HD3 LYS 65 3HD LYS 65 -10.615 -0.697 9.916 488 HE2 LYS 65 2HE LYS 65 -12.712 -2.314 8.392 489 HE3 LYS 65 3HE LYS 65 -13.107 -1.031 9.518 490 HZ1 LYS 65 1HZ LYS 65 -12.138 -0.803 6.834 491 HZ2 LYS 65 2HZ LYS 65 -12.857 0.331 7.756 492 H LEU 66 HN LEU 66 -7.087 -3.774 8.395 493 HA LEU 66 HA LEU 66 -6.700 -2.807 5.678 494 HB2 LEU 66 2HB LEU 66 -4.945 -2.419 8.102 495 HB3 LEU 66 3HB LEU 66 -4.862 -1.558 6.578 496 HG LEU 66 HG LEU 66 -7.152 -1.411 8.558 497 HD11 LEU 66 1HD1 LEU 66 -6.204 1.071 8.555 498 HD12 LEU 66 2HD1 LEU 66 -5.574 -0.185 9.648 499 HD13 LEU 66 3HD1 LEU 66 -4.690 0.223 8.158 500 HD21 LEU 66 1HD2 LEU 66 -7.753 -1.126 6.121 501 HD22 LEU 66 2HD2 LEU 66 -8.143 0.247 7.184 502 HD23 LEU 66 3HD2 LEU 66 -6.719 0.322 6.119 503 H PHE 67 HN PHE 67 -6.776 -5.725 6.372 504 HA PHE 67 HA PHE 67 -4.060 -6.597 6.291 505 HB2 PHE 67 2HB PHE 67 -5.797 -7.973 7.345 506 HB3 PHE 67 3HB PHE 67 -6.851 -7.820 5.954 507 HD1 PHE 67 HD1 PHE 67 -3.291 -8.886 6.382 508 HD2 PHE 67 HD2 PHE 67 -7.158 -9.851 4.924 509 HE1 PHE 67 HE1 PHE 67 -2.408 -11.053 5.473 510 HE2 PHE 67 HE2 PHE 67 -6.275 -12.017 4.016 511 HZ PHE 67 HZ PHE 67 -3.910 -12.593 4.301 512 H LEU 68 HN LEU 68 -5.835 -5.006 4.010 513 HA LEU 68 HA LEU 68 -4.654 -6.587 1.832 514 HB2 LEU 68 2HB LEU 68 -7.242 -5.044 1.943 515 HB3 LEU 68 3HB LEU 68 -6.494 -5.542 0.439 516 HG LEU 68 HG LEU 68 -7.693 -7.263 2.603 517 HD11 LEU 68 1HD1 LEU 68 -8.493 -8.183 0.120 518 HD12 LEU 68 2HD1 LEU 68 -9.420 -7.117 1.202 519 HD13 LEU 68 3HD1 LEU 68 -8.422 -6.417 -0.095 520 HD21 LEU 68 1HD2 LEU 68 -6.869 -9.224 1.182 521 HD22 LEU 68 2HD2 LEU 68 -5.694 -8.078 0.495 522 HD23 LEU 68 3HD2 LEU 68 -5.685 -8.421 2.241 523 H GLN 69 HN GLN 69 -4.454 -3.782 3.702 524 HA GLN 69 HA GLN 69 -3.648 -2.111 1.502 525 HB2 GLN 69 2HB GLN 69 -4.177 -1.719 4.437 526 HB3 GLN 69 3HB GLN 69 -3.092 -0.587 3.654 527 HG2 GLN 69 2HG GLN 69 -4.791 0.027 2.011 528 HG3 GLN 69 3HG GLN 69 -5.849 -1.267 2.537 529 HE21 GLN 69 1HE2 GLN 69 -7.530 0.085 3.030 530 HE22 GLN 69 2HE2 GLN 69 -7.549 1.148 4.398 531 H ASN 70 HN ASN 70 -2.251 -4.644 3.062 532 HA ASN 70 HA ASN 70 0.270 -3.422 3.623 533 HB2 ASN 70 2HB ASN 70 0.956 -5.660 4.328 534 HB3 ASN 70 3HB ASN 70 -0.669 -5.395 4.928 535 HD21 ASN 70 1HD2 ASN 70 -2.447 -6.348 3.871 536 HD22 ASN 70 2HD2 ASN 70 -2.282 -7.770 2.896 537 H PHE 71 HN PHE 71 -1.233 -5.712 1.245 538 HA PHE 71 HA PHE 71 1.204 -5.901 -0.269 539 HB2 PHE 71 2HB PHE 71 -1.703 -6.759 -0.812 540 HB3 PHE 71 3HB PHE 71 -0.311 -7.330 -1.711 541 HD1 PHE 71 HD1 PHE 71 1.617 -8.303 -0.037 542 HD2 PHE 71 HD2 PHE 71 -2.556 -8.230 0.730 543 HE1 PHE 71 HE1 PHE 71 1.880 -10.206 1.579 544 HE2 PHE 71 HE2 PHE 71 -2.293 -10.133 2.346 545 HZ PHE 71 HZ PHE 71 -0.078 -11.098 2.751 546 H LYS 72 HN LYS 72 -0.706 -3.335 0.142 547 HA LYS 72 HA LYS 72 0.015 -2.087 -2.218 548 HB2 LYS 72 2HB LYS 72 -1.937 -3.840 -2.868 549 HB3 LYS 72 3HB LYS 72 -2.927 -2.468 -2.412 550 HG2 LYS 72 2HG LYS 72 -0.586 -1.761 -4.108 551 HG3 LYS 72 3HG LYS 72 -1.746 -2.812 -4.895 552 HD2 LYS 72 2HD LYS 72 -3.521 -1.082 -3.877 553 HD3 LYS 72 3HD LYS 72 -2.137 -0.008 -3.840 554 HE2 LYS 72 2HE LYS 72 -1.745 -0.638 -6.316 555 HE3 LYS 72 3HE LYS 72 -3.317 -1.411 -6.277 556 HZ1 LYS 72 1HZ LYS 72 -2.691 1.426 -6.214 557 HZ2 LYS 72 2HZ LYS 72 -3.993 0.675 -6.842 558 H ALA 73 HN ALA 73 -0.754 0.159 -2.274 559 HA ALA 73 HA ALA 73 -1.709 0.955 0.384 560 HB1 ALA 73 1HB ALA 73 -0.690 3.188 -1.009 561 HB2 ALA 73 2HB ALA 73 0.098 2.292 0.312 562 HB3 ALA 73 3HB ALA 73 0.422 1.849 -1.381 563 H GLY 74 HN GLY 74 -3.388 -0.049 -1.898 564 HA2 GLY 74 1HA GLY 74 -5.216 2.223 -1.965 565 HA3 GLY 74 2HA GLY 74 -4.628 1.645 -3.511 566 H ALA 75 HN ALA 75 -4.864 -0.707 -0.901 567 HA ALA 75 HA ALA 75 -7.022 -2.007 -2.358 568 HB1 ALA 75 1HB ALA 75 -4.676 -2.841 -0.965 569 HB2 ALA 75 2HB ALA 75 -6.076 -3.480 -0.070 570 HB3 ALA 75 3HB ALA 75 -5.878 -3.856 -1.799 571 H ARG 76 HN ARG 76 -9.071 -2.379 -1.506 572 HA ARG 76 HA ARG 76 -10.003 -0.569 0.320 573 HB2 ARG 76 2HB ARG 76 -12.087 -1.916 0.302 574 HB3 ARG 76 3HB ARG 76 -11.432 -1.785 -1.319 575 HG2 ARG 76 2HG ARG 76 -10.713 -4.027 -1.367 576 HG3 ARG 76 3HG ARG 76 -10.591 -4.139 0.378 577 HD2 ARG 76 2HD ARG 76 -13.088 -4.063 0.560 578 HD3 ARG 76 3HD ARG 76 -13.214 -3.940 -1.184 579 HE ARG 76 HE ARG 76 -11.730 -6.210 -0.945 580 HH11 ARG 76 HH1 ARG 76 -13.933 -8.651 0.174 581 HH21 ARG 76 1HH2 ARG 76 -15.242 -6.815 0.986 582 HH22 ARG 76 2HH2 ARG 76 -14.676 -5.197 0.743 583 H ALA 77 HN ALA 77 -11.611 -1.915 2.209 584 HA ALA 77 HA ALA 77 -9.620 -3.328 3.847 585 HB1 ALA 77 1HB ALA 77 -11.301 -2.132 5.662 586 HB2 ALA 77 2HB ALA 77 -9.735 -1.465 5.141 587 HB3 ALA 77 3HB ALA 77 -11.241 -0.906 4.373 588 H LEU 78 HN LEU 78 -10.324 -5.199 4.868 589 HA LEU 78 HA LEU 78 -12.458 -6.560 3.791 590 HB2 LEU 78 2HB LEU 78 -10.990 -6.895 6.405 591 HB3 LEU 78 3HB LEU 78 -12.187 -8.034 5.822 592 HG LEU 78 HG LEU 78 -10.201 -9.015 5.169 593 HD11 LEU 78 1HD1 LEU 78 -10.053 -8.879 2.750 594 HD12 LEU 78 2HD1 LEU 78 -11.755 -8.823 3.268 595 HD13 LEU 78 3HD1 LEU 78 -10.931 -7.330 2.757 596 HD21 LEU 78 1HD2 LEU 78 -8.869 -6.919 5.790 597 HD22 LEU 78 2HD2 LEU 78 -8.216 -7.962 4.503 598 HD23 LEU 78 3HD2 LEU 78 -9.050 -6.447 4.083 599 H SER 79 HN SER 79 -14.616 -6.897 4.357 600 HA SER 79 HA SER 79 -15.894 -4.747 5.523 601 HB2 SER 79 2HB SER 79 -17.038 -6.194 3.938 602 HB3 SER 79 3HB SER 79 -16.819 -7.595 4.967 603 HG SER 79 HG SER 79 -18.985 -6.631 5.085 604 H ASP 80 HN ASP 80 -17.453 -4.947 7.486 605 HA ASP 80 HA ASP 80 -16.022 -5.303 9.745 606 HB2 ASP 80 2HB ASP 80 -18.467 -5.723 10.757 607 HB3 ASP 80 3HB ASP 80 -17.992 -4.153 10.141 608 HD2 ASP 80 HD2 ASP 80 -19.802 -3.380 8.748 609 H ALA 81 HN ALA 81 -17.682 -7.670 7.705 610 HA ALA 81 HA ALA 81 -17.641 -9.720 9.751 611 HB1 ALA 81 1HB ALA 81 -19.479 -9.318 7.973 612 HB2 ALA 81 2HB ALA 81 -18.339 -10.057 6.822 613 HB3 ALA 81 3HB ALA 81 -18.922 -10.990 8.222 614 H GLU 82 HN GLU 82 -16.200 -9.133 6.465 615 HA GLU 82 HA GLU 82 -14.655 -11.309 6.282 616 HB2 GLU 82 2HB GLU 82 -14.120 -8.437 5.446 617 HB3 GLU 82 3HB GLU 82 -13.007 -9.726 5.033 618 HG2 GLU 82 2HG GLU 82 -14.583 -10.834 3.654 619 HG3 GLU 82 3HG GLU 82 -15.956 -10.078 4.438 620 HE2 GLU 82 HE2 GLU 82 -13.582 -7.670 2.385 621 H THR 83 HN THR 83 -13.958 -8.308 8.158 622 HA THR 83 HA THR 83 -11.348 -9.097 8.925 623 HB THR 83 HB THR 83 -13.385 -7.085 10.008 624 HG1 THR 83 HG1 THR 83 -10.928 -7.043 8.397 625 HG21 THR 83 1HG2 THR 83 -11.830 -6.315 11.529 626 HG22 THR 83 2HG2 THR 83 -11.172 -7.966 11.432 627 HG23 THR 83 3HG2 THR 83 -10.466 -6.667 10.441 628 H LYS 84 HN LYS 84 -14.605 -9.767 10.182 629 HA LYS 84 HA LYS 84 -13.741 -10.663 12.709 630 HB2 LYS 84 2HB LYS 84 -16.237 -10.686 11.111 631 HB3 LYS 84 3HB LYS 84 -16.095 -11.965 12.299 632 HG2 LYS 84 2HG LYS 84 -15.410 -10.123 13.989 633 HG3 LYS 84 3HG LYS 84 -15.932 -8.961 12.786 634 HD2 LYS 84 2HD LYS 84 -17.712 -11.204 13.849 635 HD3 LYS 84 3HD LYS 84 -17.703 -9.581 14.509 636 HE2 LYS 84 2HE LYS 84 -18.199 -8.743 12.113 637 HE3 LYS 84 3HE LYS 84 -18.489 -10.417 11.684 638 HZ1 LYS 84 1HZ LYS 84 -20.469 -10.377 12.745 639 HZ2 LYS 84 2HZ LYS 84 -19.890 -9.629 14.070 640 H ALA 85 HN ALA 85 -14.202 -12.237 9.510 641 HA ALA 85 HA ALA 85 -13.784 -14.857 10.462 642 HB1 ALA 85 1HB ALA 85 -13.127 -15.042 7.866 643 HB2 ALA 85 2HB ALA 85 -14.812 -14.850 8.404 644 HB3 ALA 85 3HB ALA 85 -13.895 -13.437 7.828 645 H PHE 86 HN PHE 86 -11.624 -12.373 8.947 646 HA PHE 86 HA PHE 86 -9.341 -14.034 9.085 647 HB2 PHE 86 2HB PHE 86 -9.868 -11.954 7.606 648 HB3 PHE 86 3HB PHE 86 -9.592 -10.969 9.028 649 HD1 PHE 86 HD1 PHE 86 -7.644 -9.782 8.636 650 HD2 PHE 86 HD2 PHE 86 -7.719 -13.931 7.750 651 HE1 PHE 86 HE1 PHE 86 -5.190 -9.714 8.112 652 HE2 PHE 86 HE2 PHE 86 -5.265 -13.864 7.226 653 HZ PHE 86 HZ PHE 86 -4.030 -11.756 7.413 654 H LEU 87 HN LEU 87 -11.123 -12.305 11.473 655 HA LEU 87 HA LEU 87 -8.825 -11.729 13.120 656 HB2 LEU 87 2HB LEU 87 -10.569 -10.139 13.167 657 HB3 LEU 87 3HB LEU 87 -11.797 -11.363 13.418 658 HG LEU 87 HG LEU 87 -10.900 -11.801 15.680 659 HD11 LEU 87 1HD1 LEU 87 -9.217 -9.336 15.572 660 HD12 LEU 87 2HD1 LEU 87 -9.077 -10.780 16.603 661 HD13 LEU 87 3HD1 LEU 87 -8.556 -10.847 14.902 662 HD21 LEU 87 1HD2 LEU 87 -12.460 -9.675 14.829 663 HD22 LEU 87 2HD2 LEU 87 -12.291 -10.267 16.499 664 HD23 LEU 87 3HD2 LEU 87 -11.278 -8.921 15.925 665 H LYS 88 HN LYS 88 -11.767 -13.854 13.330 666 HA LYS 88 HA LYS 88 -10.750 -15.250 15.569 667 HB2 LYS 88 2HB LYS 88 -13.142 -15.286 13.866 668 HB3 LYS 88 3HB LYS 88 -12.671 -16.879 14.424 669 HG2 LYS 88 2HG LYS 88 -12.467 -14.849 16.558 670 HG3 LYS 88 3HG LYS 88 -14.089 -14.956 15.902 671 HD2 LYS 88 2HD LYS 88 -12.541 -17.456 16.686 672 HD3 LYS 88 3HD LYS 88 -13.455 -16.547 17.873 673 HE2 LYS 88 2HE LYS 88 -14.691 -17.550 15.269 674 HE3 LYS 88 3HE LYS 88 -14.695 -18.500 16.741 675 HZ1 LYS 88 1HZ LYS 88 -16.011 -16.858 17.828 676 HZ2 LYS 88 2HZ LYS 88 -15.780 -15.742 16.665 677 H ALA 89 HN ALA 89 -10.272 -15.450 12.093 678 HA ALA 89 HA ALA 89 -9.537 -18.148 11.934 679 HB1 ALA 89 1HB ALA 89 -10.045 -16.991 9.925 680 HB2 ALA 89 2HB ALA 89 -8.922 -15.664 10.306 681 HB3 ALA 89 3HB ALA 89 -8.288 -17.266 9.860 682 H GLY 90 HN GLY 90 -7.618 -15.121 12.480 683 HA2 GLY 90 1HA GLY 90 -5.219 -16.706 12.962 684 HA3 GLY 90 2HA GLY 90 -5.349 -14.961 12.870 685 H ASP 91 HN ASP 91 -7.055 -14.079 14.696 686 HA ASP 91 HA ASP 91 -5.734 -14.452 17.080 687 HB2 ASP 91 2HB ASP 91 -7.466 -12.615 16.174 688 HB3 ASP 91 3HB ASP 91 -8.634 -13.602 17.030 689 HD2 ASP 91 HD2 ASP 91 -8.949 -11.837 18.299 690 H SER 92 HN SER 92 -5.874 -16.161 18.543 691 HA SER 92 HA SER 92 -8.154 -17.929 18.244 692 HB2 SER 92 2HB SER 92 -5.802 -18.845 18.087 693 HB3 SER 92 3HB SER 92 -5.545 -18.382 19.757 694 HG SER 92 HG SER 92 -6.496 -20.685 18.954 695 H ASP 93 HN ASP 93 -6.913 -15.481 20.166 696 HA ASP 93 HA ASP 93 -8.281 -16.358 22.662 697 HB2 ASP 93 2HB ASP 93 -6.963 -14.635 23.685 698 HB3 ASP 93 3HB ASP 93 -5.902 -15.413 22.513 699 H GLY 94 HN GLY 94 -8.832 -14.356 19.813 700 HA2 GLY 94 1HA GLY 94 -10.388 -12.806 19.321 701 HA3 GLY 94 2HA GLY 94 -11.421 -13.700 20.419 702 H ASP 95 HN ASP 95 -8.693 -11.295 20.498 703 HA ASP 95 HA ASP 95 -9.994 -10.157 22.840 704 HB2 ASP 95 2HB ASP 95 -7.754 -9.036 23.212 705 HB3 ASP 95 3HB ASP 95 -7.707 -10.784 23.315 706 HD2 ASP 95 HD2 ASP 95 -5.387 -9.241 22.697 707 H GLY 96 HN GLY 96 -9.044 -9.729 19.481 708 HA2 GLY 96 1HA GLY 96 -10.278 -7.996 18.293 709 HA3 GLY 96 2HA GLY 96 -9.879 -6.892 19.594 710 H LYS 97 HN LYS 97 -7.186 -8.845 19.345 711 HA LYS 97 HA LYS 97 -6.004 -7.240 17.199 712 HB2 LYS 97 2HB LYS 97 -4.561 -7.771 19.800 713 HB3 LYS 97 3HB LYS 97 -4.103 -6.685 18.503 714 HG2 LYS 97 2HG LYS 97 -6.265 -5.381 18.965 715 HG3 LYS 97 3HG LYS 97 -6.483 -6.378 20.389 716 HD2 LYS 97 2HD LYS 97 -4.009 -4.669 19.843 717 HD3 LYS 97 3HD LYS 97 -5.342 -4.179 20.870 718 HE2 LYS 97 2HE LYS 97 -4.920 -6.025 22.422 719 HE3 LYS 97 3HE LYS 97 -3.742 -6.738 21.337 720 HZ1 LYS 97 1HZ LYS 97 -3.456 -4.116 22.704 721 HZ2 LYS 97 2HZ LYS 97 -2.612 -5.467 23.041 722 H ILE 98 HN ILE 98 -4.324 -8.289 16.026 723 HA ILE 98 HA ILE 98 -4.125 -11.158 16.632 724 HB ILE 98 HB ILE 98 -4.696 -9.700 14.107 725 HG12 ILE 98 2HG1 ILE 98 -5.629 -12.194 15.504 726 HG13 ILE 98 3HG1 ILE 98 -6.556 -10.802 14.979 727 HG21 ILE 98 1HG2 ILE 98 -3.093 -12.271 14.189 728 HG22 ILE 98 2HG2 ILE 98 -3.822 -11.540 12.739 729 HG23 ILE 98 3HG2 ILE 98 -2.525 -10.686 13.610 730 HD11 ILE 98 1HD1 ILE 98 -7.046 -12.593 13.435 731 HD12 ILE 98 2HD1 ILE 98 -5.996 -11.446 12.569 732 HD13 ILE 98 3HD1 ILE 98 -5.317 -12.958 13.217 733 H GLY 99 HN GLY 99 -2.158 -11.497 17.528 734 HA2 GLY 99 1HA GLY 99 0.055 -9.753 17.001 735 HA3 GLY 99 2HA GLY 99 0.041 -11.203 17.985 736 H ILE 100 HN ILE 100 2.207 -11.571 16.923 737 HA ILE 100 HA ILE 100 2.110 -12.286 14.130 738 HB ILE 100 HB ILE 100 4.006 -11.154 15.628 739 HG12 ILE 100 2HG1 ILE 100 4.119 -11.176 13.256 740 HG13 ILE 100 3HG1 ILE 100 5.625 -11.853 13.843 741 HG21 ILE 100 1HG2 ILE 100 4.152 -13.389 16.923 742 HG22 ILE 100 2HG2 ILE 100 5.043 -13.975 15.498 743 HG23 ILE 100 3HG2 ILE 100 5.657 -12.583 16.420 744 HD11 ILE 100 1HD1 ILE 100 4.456 -14.178 13.597 745 HD12 ILE 100 2HD1 ILE 100 3.266 -13.305 12.602 746 HD13 ILE 100 3HD1 ILE 100 4.978 -13.342 12.115 747 H ASP 101 HN ASP 101 2.205 -13.845 17.351 748 HA ASP 101 HA ASP 101 2.727 -16.402 16.362 749 HB2 ASP 101 2HB ASP 101 1.071 -16.013 18.848 750 HB3 ASP 101 3HB ASP 101 2.406 -17.114 18.575 751 HD2 ASP 101 HD2 ASP 101 4.060 -15.480 20.657 752 H GLU 102 HN GLU 102 -0.039 -14.312 16.285 753 HA GLU 102 HA GLU 102 -1.848 -16.572 16.026 754 HB2 GLU 102 2HB GLU 102 -2.202 -13.656 16.709 755 HB3 GLU 102 3HB GLU 102 -3.545 -14.504 15.969 756 HG2 GLU 102 2HG GLU 102 -3.884 -15.882 17.808 757 HG3 GLU 102 3HG GLU 102 -2.183 -15.928 18.229 758 H PHE 103 HN PHE 103 -0.479 -13.725 14.339 759 HA PHE 103 HA PHE 103 -2.142 -14.068 12.043 760 HB2 PHE 103 2HB PHE 103 -1.246 -11.861 12.627 761 HB3 PHE 103 3HB PHE 103 0.375 -12.498 12.816 762 HD1 PHE 103 HD1 PHE 103 -2.247 -11.824 10.276 763 HD2 PHE 103 HD2 PHE 103 1.880 -12.482 11.017 764 HE1 PHE 103 HE1 PHE 103 -1.719 -11.185 7.907 765 HE2 PHE 103 HE2 PHE 103 2.407 -11.843 8.648 766 HZ PHE 103 HZ PHE 103 0.601 -11.202 7.121 767 H ALA 104 HN ALA 104 0.916 -15.370 13.218 768 HA ALA 104 HA ALA 104 1.708 -16.222 10.561 769 HB1 ALA 104 1HB ALA 104 2.953 -16.636 13.311 770 HB2 ALA 104 2HB ALA 104 3.699 -17.079 11.757 771 HB3 ALA 104 3HB ALA 104 3.394 -15.369 12.141 772 H ALA 105 HN ALA 105 -0.330 -17.259 13.124 773 HA ALA 105 HA ALA 105 0.151 -20.065 12.811 774 HB1 ALA 105 1HB ALA 105 -2.414 -19.206 13.984 775 HB2 ALA 105 2HB ALA 105 -1.117 -20.207 14.680 776 HB3 ALA 105 3HB ALA 105 -0.995 -18.432 14.731 777 H MET 106 HN MET 106 -2.429 -17.710 11.828 778 HA MET 106 HA MET 106 -4.040 -19.510 10.553 779 HB2 MET 106 2HB MET 106 -4.817 -17.462 9.254 780 HB3 MET 106 3HB MET 106 -4.710 -17.181 10.981 781 HG2 MET 106 2HG MET 106 -2.293 -16.310 10.512 782 HG3 MET 106 3HG MET 106 -2.759 -16.280 8.823 783 HE1 MET 106 1HE MET 106 -6.266 -14.222 9.620 784 HE2 MET 106 2HE MET 106 -5.565 -15.393 8.478 785 HE3 MET 106 3HE MET 106 -6.008 -15.910 10.123 786 H ILE 107 HN ILE 107 -0.837 -18.545 9.719 787 HA ILE 107 HA ILE 107 -1.260 -19.407 6.945 788 HB ILE 107 HB ILE 107 1.202 -18.325 6.923 789 HG12 ILE 107 2HG1 ILE 107 -0.324 -16.833 9.074 790 HG13 ILE 107 3HG1 ILE 107 1.215 -17.654 9.244 791 HG21 ILE 107 1HG2 ILE 107 -1.007 -17.872 5.596 792 HG22 ILE 107 2HG2 ILE 107 -1.143 -16.471 6.686 793 HG23 ILE 107 3HG2 ILE 107 0.285 -16.649 5.638 794 HD11 ILE 107 1HD1 ILE 107 2.342 -16.066 7.824 795 HD12 ILE 107 2HD1 ILE 107 0.801 -15.376 7.263 796 HD13 ILE 107 3HD1 ILE 107 1.336 -15.112 8.940 797 H LYS 108 HN LYS 108 0.464 -19.952 10.010 798 HA LYS 108 HA LYS 108 2.429 -21.671 9.123 799 HB2 LYS 108 2HB LYS 108 2.427 -20.781 11.359 800 HB3 LYS 108 3HB LYS 108 0.902 -21.557 11.736 801 HG2 LYS 108 2HG LYS 108 1.856 -23.698 11.878 802 HG3 LYS 108 3HG LYS 108 3.172 -23.305 10.789 803 HD2 LYS 108 2HD LYS 108 4.125 -21.776 12.576 804 HD3 LYS 108 3HD LYS 108 2.862 -22.316 13.663 805 HE2 LYS 108 2HE LYS 108 4.838 -24.209 12.304 806 HE3 LYS 108 3HE LYS 108 5.077 -23.551 13.910 807 HZ1 LYS 108 1HZ LYS 108 3.067 -25.497 13.028 808 HZ2 LYS 108 2HZ LYS 108 3.974 -25.509 14.380 809 H GLY 109 HN GLY 109 -1.042 -22.264 9.858 810 HA2 GLY 109 1HA GLY 109 -1.050 -24.562 8.139 811 HA3 GLY 109 2HA GLY 109 -1.152 -24.992 9.834
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