NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504345 | 2ecw | 11161 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -6.783 -59.494 -35.481 2 HA2 GLY 1 1HA GLY 1 -5.706 -57.311 -36.952 3 HA3 GLY 1 2HA GLY 1 -6.506 -56.738 -35.497 4 H SER 2 H SER 2 -4.089 -56.044 -35.349 5 HA SER 2 HA SER 2 -2.928 -57.579 -33.261 6 HB2 SER 2 1HB SER 2 -1.817 -57.862 -36.023 7 HB3 SER 2 2HB SER 2 -0.700 -57.833 -34.659 8 HG SER 2 HG SER 2 -2.361 -59.487 -33.813 9 H SER 3 H SER 3 -2.189 -56.059 -31.953 10 HA SER 3 HA SER 3 -0.257 -54.142 -32.720 11 HB2 SER 3 1HB SER 3 -2.620 -53.275 -33.582 12 HB3 SER 3 2HB SER 3 -2.765 -52.743 -31.907 13 HG SER 3 HG SER 3 -0.810 -51.597 -32.181 14 H GLY 4 H GLY 4 0.321 -52.680 -30.919 15 HA2 GLY 4 1HA GLY 4 -0.799 -53.304 -28.315 16 HA3 GLY 4 2HA GLY 4 0.845 -53.870 -28.571 17 H SER 5 H SER 5 0.594 -52.215 -26.547 18 HA SER 5 HA SER 5 2.170 -49.962 -27.313 19 HB2 SER 5 1HB SER 5 0.575 -48.243 -26.392 20 HB3 SER 5 2HB SER 5 0.069 -48.965 -27.919 21 HG SER 5 HG SER 5 -1.505 -50.041 -26.914 22 H SER 6 H SER 6 2.410 -48.444 -25.295 23 HA SER 6 HA SER 6 2.333 -50.050 -22.835 24 HB2 SER 6 1HB SER 6 4.603 -49.404 -22.267 25 HB3 SER 6 2HB SER 6 4.606 -50.182 -23.850 26 HG SER 6 HG SER 6 4.429 -47.905 -24.653 27 H GLY 7 H GLY 7 3.258 -48.452 -20.979 28 HA2 GLY 7 1HA GLY 7 1.328 -46.286 -20.939 29 HA3 GLY 7 2HA GLY 7 2.327 -46.822 -19.596 30 H MET 8 H MET 8 1.816 -44.107 -20.469 31 HA MET 8 HA MET 8 4.595 -43.264 -20.754 32 HB2 MET 8 1HB MET 8 2.365 -42.520 -22.630 33 HB3 MET 8 2HB MET 8 3.757 -41.469 -22.404 34 HG2 MET 8 1HG MET 8 5.209 -42.946 -23.402 35 HG3 MET 8 2HG MET 8 4.181 -44.340 -23.076 36 HE1 MET 8 3HE MET 8 2.254 -45.013 -24.174 37 HE2 MET 8 1HE MET 8 1.772 -44.617 -25.824 38 HE3 MET 8 2HE MET 8 3.272 -45.497 -25.532 39 H ALA 9 H ALA 9 5.077 -41.609 -19.446 40 HA ALA 9 HA ALA 9 2.845 -40.065 -18.295 41 HB1 ALA 9 3HB ALA 9 4.856 -39.917 -16.422 42 HB2 ALA 9 1HB ALA 9 3.439 -40.964 -16.341 43 HB3 ALA 9 2HB ALA 9 4.957 -41.583 -16.992 44 H SER 10 H SER 10 2.980 -38.237 -19.513 45 HA SER 10 HA SER 10 5.375 -36.605 -19.129 46 HB2 SER 10 1HB SER 10 5.532 -37.787 -21.357 47 HB3 SER 10 2HB SER 10 4.091 -36.900 -21.851 48 HG SER 10 HG SER 10 5.217 -34.988 -21.637 49 H SER 11 H SER 11 4.666 -34.832 -18.160 50 HA SER 11 HA SER 11 2.088 -33.692 -19.023 51 HB2 SER 11 1HB SER 11 1.848 -32.767 -16.770 52 HB3 SER 11 2HB SER 11 2.060 -34.516 -16.693 53 HG SER 11 HG SER 11 3.654 -32.513 -15.725 54 H VAL 12 H VAL 12 1.978 -31.263 -18.459 55 HA VAL 12 HA VAL 12 4.537 -29.985 -19.171 56 HB VAL 12 HB VAL 12 1.789 -29.216 -20.166 57 HG11 VAL 12 1HG1 VAL 12 3.021 -27.549 -21.529 58 HG12 VAL 12 2HG1 VAL 12 3.104 -27.234 -19.794 59 HG13 VAL 12 3HG1 VAL 12 4.485 -27.947 -20.630 60 HG21 VAL 12 3HG2 VAL 12 2.615 -29.845 -22.360 61 HG22 VAL 12 1HG2 VAL 12 4.177 -30.283 -21.669 62 HG23 VAL 12 2HG2 VAL 12 2.737 -31.212 -21.252 63 H LEU 13 H LEU 13 4.867 -27.856 -18.387 64 HA LEU 13 HA LEU 13 3.686 -27.406 -15.799 65 HB2 LEU 13 1HB LEU 13 5.698 -25.799 -17.367 66 HB3 LEU 13 2HB LEU 13 5.235 -25.488 -15.695 67 HG LEU 13 HG LEU 13 6.056 -27.949 -15.326 68 HD11 LEU 13 1HD1 LEU 13 6.478 -28.634 -17.539 69 HD12 LEU 13 2HD1 LEU 13 8.062 -28.350 -16.819 70 HD13 LEU 13 3HD1 LEU 13 7.364 -27.156 -17.913 71 HD21 LEU 13 3HD2 LEU 13 7.880 -27.039 -14.350 72 HD22 LEU 13 1HD2 LEU 13 7.055 -25.529 -14.740 73 HD23 LEU 13 2HD2 LEU 13 8.336 -26.131 -15.792 74 H GLU 14 H GLU 14 3.166 -24.997 -15.265 75 HA GLU 14 HA GLU 14 0.813 -24.319 -16.650 76 HB2 GLU 14 1HB GLU 14 0.819 -22.278 -15.273 77 HB3 GLU 14 2HB GLU 14 1.138 -23.718 -14.316 78 HG2 GLU 14 1HG GLU 14 3.461 -23.204 -14.180 79 HG3 GLU 14 2HG GLU 14 3.292 -21.890 -15.342 80 H MET 15 H MET 15 0.413 -23.018 -18.337 81 HA MET 15 HA MET 15 2.608 -22.061 -19.909 82 HB2 MET 15 1HB MET 15 -0.375 -22.047 -20.201 83 HB3 MET 15 2HB MET 15 0.612 -21.055 -21.266 84 HG2 MET 15 1HG MET 15 1.033 -24.008 -20.911 85 HG3 MET 15 2HG MET 15 -0.020 -23.318 -22.143 86 HE1 MET 15 3HE MET 15 0.955 -24.351 -23.990 87 HE2 MET 15 1HE MET 15 2.519 -24.004 -24.729 88 HE3 MET 15 2HE MET 15 2.406 -25.165 -23.405 89 H ILE 16 H ILE 16 3.673 -20.439 -18.829 90 HA ILE 16 HA ILE 16 2.773 -18.400 -17.299 91 HB ILE 16 HB ILE 16 4.885 -18.154 -19.445 92 HG12 ILE 16 1HG1 ILE 16 6.305 -18.399 -17.223 93 HG13 ILE 16 2HG1 ILE 16 4.857 -19.224 -16.655 94 HG21 ILE 16 1HG2 ILE 16 4.404 -16.455 -17.000 95 HG22 ILE 16 2HG2 ILE 16 5.761 -16.301 -18.114 96 HG23 ILE 16 3HG2 ILE 16 4.121 -15.969 -18.671 97 HD11 ILE 16 3HD1 ILE 16 5.636 -20.166 -19.264 98 HD12 ILE 16 1HD1 ILE 16 6.951 -20.320 -18.100 99 HD13 ILE 16 2HD1 ILE 16 5.386 -21.062 -17.767 100 H LYS 17 H LYS 17 0.915 -17.338 -17.680 101 HA LYS 17 HA LYS 17 0.076 -16.497 -20.271 102 HB2 LYS 17 1HB LYS 17 -1.316 -16.988 -18.103 103 HB3 LYS 17 2HB LYS 17 -1.006 -15.293 -17.751 104 HG2 LYS 17 1HG LYS 17 -3.105 -15.386 -18.820 105 HG3 LYS 17 2HG LYS 17 -1.966 -14.760 -20.014 106 HD2 LYS 17 1HD LYS 17 -3.021 -16.321 -21.299 107 HD3 LYS 17 2HD LYS 17 -1.753 -17.337 -20.608 108 HE2 LYS 17 1HE LYS 17 -4.320 -17.069 -19.128 109 HE3 LYS 17 2HE LYS 17 -4.294 -18.069 -20.579 110 HZ1 LYS 17 3HZ LYS 17 -3.475 -18.782 -18.036 111 HZ2 LYS 17 1HZ LYS 17 -2.058 -18.655 -18.951 112 HZ3 LYS 17 2HZ LYS 17 -3.302 -19.682 -19.457 113 H GLU 18 H GLU 18 0.550 -14.695 -21.350 114 HA GLU 18 HA GLU 18 2.242 -12.702 -20.064 115 HB2 GLU 18 1HB GLU 18 1.522 -13.310 -22.917 116 HB3 GLU 18 2HB GLU 18 2.285 -11.786 -22.485 117 HG2 GLU 18 1HG GLU 18 3.499 -14.372 -21.618 118 HG3 GLU 18 2HG GLU 18 3.742 -13.776 -23.259 119 H GLU 19 H GLU 19 -0.591 -12.875 -19.386 120 HA GLU 19 HA GLU 19 -1.456 -10.215 -20.317 121 HB2 GLU 19 1HB GLU 19 -3.047 -12.702 -19.755 122 HB3 GLU 19 2HB GLU 19 -3.799 -11.115 -19.693 123 HG2 GLU 19 1HG GLU 19 -3.243 -10.709 -22.000 124 HG3 GLU 19 2HG GLU 19 -2.348 -12.225 -22.083 125 H VAL 20 H VAL 20 -1.531 -12.512 -17.616 126 HA VAL 20 HA VAL 20 -2.504 -10.573 -15.741 127 HB VAL 20 HB VAL 20 -2.047 -12.277 -14.031 128 HG11 VAL 20 1HG1 VAL 20 -3.393 -14.177 -15.286 129 HG12 VAL 20 2HG1 VAL 20 -4.147 -12.642 -14.850 130 HG13 VAL 20 3HG1 VAL 20 -3.578 -12.910 -16.499 131 HG21 VAL 20 3HG2 VAL 20 -0.942 -13.938 -16.294 132 HG22 VAL 20 1HG2 VAL 20 0.028 -13.158 -15.045 133 HG23 VAL 20 2HG2 VAL 20 -1.113 -14.430 -14.609 134 H THR 21 H THR 21 0.644 -11.894 -16.608 135 HA THR 21 HA THR 21 2.214 -10.997 -14.533 136 HB THR 21 HB THR 21 3.014 -10.913 -17.448 137 HG1 THR 21 1HG THR 21 2.141 -12.977 -16.192 138 HG21 THR 21 3HG2 THR 21 5.258 -11.161 -16.674 139 HG22 THR 21 1HG2 THR 21 4.722 -11.411 -15.013 140 HG23 THR 21 2HG2 THR 21 4.541 -9.828 -15.769 141 H CYS 22 H CYS 22 3.486 -9.126 -14.195 142 HA CYS 22 HA CYS 22 2.172 -6.694 -14.482 143 HB2 CYS 22 1HB CYS 22 4.037 -7.276 -12.860 144 HB3 CYS 22 2HB CYS 22 5.162 -6.982 -14.182 145 HA PRO 23 HA PRO 23 2.978 -5.876 -18.790 146 HB2 PRO 23 1HB PRO 23 1.707 -3.478 -18.851 147 HB3 PRO 23 2HB PRO 23 0.846 -5.022 -18.867 148 HG2 PRO 23 1HG PRO 23 1.366 -3.166 -16.576 149 HG3 PRO 23 2HG PRO 23 -0.120 -4.038 -16.995 150 HD2 PRO 23 1HD PRO 23 1.576 -4.893 -15.066 151 HD3 PRO 23 2HD PRO 23 0.626 -6.011 -16.066 152 H ILE 24 H ILE 24 4.478 -4.640 -16.174 153 HA ILE 24 HA ILE 24 5.898 -2.570 -17.717 154 HB ILE 24 HB ILE 24 5.607 -2.862 -14.726 155 HG12 ILE 24 1HG1 ILE 24 4.728 -0.593 -16.515 156 HG13 ILE 24 2HG1 ILE 24 3.670 -1.927 -16.069 157 HG21 ILE 24 1HG2 ILE 24 6.747 -0.440 -15.078 158 HG22 ILE 24 2HG2 ILE 24 7.647 -1.910 -14.708 159 HG23 ILE 24 3HG2 ILE 24 7.518 -1.352 -16.376 160 HD11 ILE 24 3HD1 ILE 24 5.017 -0.509 -13.859 161 HD12 ILE 24 1HD1 ILE 24 3.763 0.373 -14.731 162 HD13 ILE 24 2HD1 ILE 24 3.385 -1.169 -13.963 163 H CYS 25 H CYS 25 6.557 -4.795 -15.003 164 HA CYS 25 HA CYS 25 9.313 -5.061 -15.910 165 HB2 CYS 25 1HB CYS 25 9.657 -6.283 -13.794 166 HB3 CYS 25 2HB CYS 25 8.944 -4.696 -13.528 167 H LEU 26 H LEU 26 6.336 -6.750 -16.054 168 HA LEU 26 HA LEU 26 5.720 -8.742 -16.960 169 HB2 LEU 26 1HB LEU 26 8.490 -8.602 -18.138 170 HB3 LEU 26 2HB LEU 26 7.257 -9.769 -18.609 171 HG LEU 26 HG LEU 26 6.980 -6.782 -18.922 172 HD11 LEU 26 1HD1 LEU 26 8.797 -8.013 -20.293 173 HD12 LEU 26 2HD1 LEU 26 7.662 -6.951 -21.125 174 HD13 LEU 26 3HD1 LEU 26 7.431 -8.699 -21.172 175 HD21 LEU 26 3HD2 LEU 26 4.851 -7.909 -18.747 176 HD22 LEU 26 1HD2 LEU 26 5.349 -9.103 -19.946 177 HD23 LEU 26 2HD2 LEU 26 5.123 -7.420 -20.420 178 H GLU 27 H GLU 27 6.530 -8.873 -14.352 179 HA GLU 27 HA GLU 27 7.629 -11.583 -14.239 180 HB2 GLU 27 1HB GLU 27 8.715 -9.169 -12.831 181 HB3 GLU 27 2HB GLU 27 8.855 -10.756 -12.088 182 HG2 GLU 27 1HG GLU 27 9.746 -10.415 -14.903 183 HG3 GLU 27 2HG GLU 27 10.760 -9.787 -13.605 184 H LEU 28 H LEU 28 7.374 -12.484 -11.946 185 HA LEU 28 HA LEU 28 4.733 -12.674 -11.260 186 HB2 LEU 28 1HB LEU 28 7.265 -13.133 -9.762 187 HB3 LEU 28 2HB LEU 28 5.738 -13.210 -8.885 188 HG LEU 28 HG LEU 28 6.441 -14.906 -11.281 189 HD11 LEU 28 1HD1 LEU 28 7.226 -15.139 -8.550 190 HD12 LEU 28 2HD1 LEU 28 7.563 -16.223 -9.899 191 HD13 LEU 28 3HD1 LEU 28 6.101 -16.440 -8.938 192 HD21 LEU 28 3HD2 LEU 28 4.063 -14.560 -11.093 193 HD22 LEU 28 1HD2 LEU 28 4.105 -14.954 -9.374 194 HD23 LEU 28 2HD2 LEU 28 4.455 -16.200 -10.573 195 H LEU 29 H LEU 29 3.311 -11.251 -10.529 196 HA LEU 29 HA LEU 29 4.000 -8.678 -9.610 197 HB2 LEU 29 1HB LEU 29 1.413 -10.200 -9.339 198 HB3 LEU 29 2HB LEU 29 1.609 -8.477 -9.027 199 HG LEU 29 HG LEU 29 2.366 -9.495 -11.715 200 HD11 LEU 29 1HD1 LEU 29 0.328 -10.626 -11.594 201 HD12 LEU 29 2HD1 LEU 29 -0.076 -9.094 -12.368 202 HD13 LEU 29 3HD1 LEU 29 -0.437 -9.341 -10.659 203 HD21 LEU 29 3HD2 LEU 29 2.337 -7.046 -10.614 204 HD22 LEU 29 1HD2 LEU 29 0.707 -7.092 -11.285 205 HD23 LEU 29 2HD2 LEU 29 2.101 -7.340 -12.337 206 H LYS 30 H LYS 30 4.986 -8.268 -7.749 207 HA LYS 30 HA LYS 30 4.552 -9.989 -5.440 208 HB2 LYS 30 1HB LYS 30 6.827 -9.012 -6.297 209 HB3 LYS 30 2HB LYS 30 6.327 -7.575 -5.414 210 HG2 LYS 30 1HG LYS 30 5.959 -9.226 -3.447 211 HG3 LYS 30 2HG LYS 30 7.020 -10.286 -4.377 212 HD2 LYS 30 1HD LYS 30 8.515 -9.157 -3.015 213 HD3 LYS 30 2HD LYS 30 8.568 -8.206 -4.501 214 HE2 LYS 30 1HE LYS 30 8.366 -6.572 -2.876 215 HE3 LYS 30 2HE LYS 30 6.692 -6.812 -3.375 216 HZ1 LYS 30 3HZ LYS 30 8.005 -7.531 -0.865 217 HZ2 LYS 30 1HZ LYS 30 6.786 -8.560 -1.428 218 HZ3 LYS 30 2HZ LYS 30 6.448 -6.929 -1.136 219 H GLU 31 H GLU 31 2.887 -9.557 -4.156 220 HA GLU 31 HA GLU 31 1.202 -8.414 -3.107 221 HB2 GLU 31 1HB GLU 31 3.597 -6.669 -2.524 222 HB3 GLU 31 2HB GLU 31 2.044 -6.495 -1.719 223 HG2 GLU 31 1HG GLU 31 3.715 -8.996 -1.682 224 HG3 GLU 31 2HG GLU 31 3.707 -7.772 -0.413 225 HA PRO 32 HA PRO 32 0.935 -5.248 -6.610 226 HB2 PRO 32 1HB PRO 32 -0.977 -6.524 -8.055 227 HB3 PRO 32 2HB PRO 32 0.753 -6.794 -8.301 228 HG2 PRO 32 1HG PRO 32 -1.221 -8.437 -6.763 229 HG3 PRO 32 2HG PRO 32 0.061 -8.971 -7.866 230 HD2 PRO 32 1HD PRO 32 0.334 -9.040 -5.173 231 HD3 PRO 32 2HD PRO 32 1.704 -8.750 -6.265 232 H VAL 33 H VAL 33 -1.158 -4.177 -7.350 233 HA VAL 33 HA VAL 33 -3.325 -4.443 -5.398 234 HB VAL 33 HB VAL 33 -3.445 -2.047 -5.017 235 HG11 VAL 33 1HG1 VAL 33 -0.658 -3.077 -4.498 236 HG12 VAL 33 2HG1 VAL 33 -1.471 -1.772 -3.632 237 HG13 VAL 33 3HG1 VAL 33 -2.076 -3.424 -3.509 238 HG21 VAL 33 3HG2 VAL 33 -2.642 -0.820 -6.733 239 HG22 VAL 33 1HG2 VAL 33 -1.146 -0.874 -5.799 240 HG23 VAL 33 2HG2 VAL 33 -1.394 -2.001 -7.134 241 H SER 34 H SER 34 -5.255 -4.409 -6.348 242 HA SER 34 HA SER 34 -5.518 -4.108 -9.152 243 HB2 SER 34 1HB SER 34 -7.599 -4.277 -6.963 244 HB3 SER 34 2HB SER 34 -7.977 -4.302 -8.685 245 HG SER 34 HG SER 34 -6.892 -6.267 -7.080 246 H ALA 35 H ALA 35 -6.913 -2.585 -10.268 247 HA ALA 35 HA ALA 35 -7.147 0.021 -8.924 248 HB1 ALA 35 3HB ALA 35 -6.186 -0.334 -11.759 249 HB2 ALA 35 1HB ALA 35 -6.313 1.175 -10.855 250 HB3 ALA 35 2HB ALA 35 -5.130 -0.043 -10.377 251 H ASP 36 H ASP 36 -8.539 1.553 -10.277 252 HA ASP 36 HA ASP 36 -11.111 0.600 -10.477 253 HB2 ASP 36 1HB ASP 36 -10.238 3.031 -10.497 254 HB3 ASP 36 2HB ASP 36 -10.145 2.834 -12.245 255 H CYS 37 H CYS 37 -8.629 0.736 -12.973 256 HA CYS 37 HA CYS 37 -10.440 -0.297 -14.992 257 HB2 CYS 37 1HB CYS 37 -8.349 -0.256 -16.424 258 HB3 CYS 37 2HB CYS 37 -8.877 1.304 -15.801 259 H ASN 38 H ASN 38 -10.116 -1.994 -12.765 260 HA ASN 38 HA ASN 38 -9.373 -4.077 -12.106 261 HB2 ASN 38 1HB ASN 38 -11.215 -4.272 -13.966 262 HB3 ASN 38 2HB ASN 38 -9.894 -4.921 -14.933 263 HD21 ASN 38 1HD2 ASN 38 -8.757 -6.783 -14.092 264 HD22 ASN 38 2HD2 ASN 38 -9.609 -7.920 -13.108 265 H HIS 39 H HIS 39 -7.176 -2.492 -12.855 266 HA HIS 39 HA HIS 39 -5.412 -4.519 -14.066 267 HB2 HIS 39 1HB HIS 39 -5.330 -1.513 -14.348 268 HB3 HIS 39 2HB HIS 39 -3.988 -2.559 -14.803 269 HD2 HIS 39 2HD HIS 39 -6.287 -4.795 -16.159 270 HE1 HIS 39 1HE HIS 39 -6.609 -1.617 -18.951 271 HE2 HIS 39 2HE HIS 39 -7.149 -4.031 -18.475 272 H SER 40 H SER 40 -4.009 -5.317 -12.662 273 HA SER 40 HA SER 40 -3.272 -3.699 -10.320 274 HB2 SER 40 1HB SER 40 -2.636 -5.848 -9.270 275 HB3 SER 40 2HB SER 40 -4.325 -5.836 -9.775 276 HG SER 40 HG SER 40 -3.872 -7.525 -10.918 277 H PHE 41 H PHE 41 -1.095 -3.618 -9.628 278 HA PHE 41 HA PHE 41 0.953 -4.624 -11.437 279 HB2 PHE 41 1HB PHE 41 1.064 -1.720 -10.681 280 HB3 PHE 41 2HB PHE 41 1.903 -2.558 -11.983 281 HD1 PHE 41 1HD PHE 41 -1.385 -1.281 -10.887 282 HD2 PHE 41 2HD PHE 41 0.961 -2.724 -14.132 283 HE1 PHE 41 1HE PHE 41 -3.135 -0.571 -12.463 284 HE2 PHE 41 2HE PHE 41 -0.786 -2.016 -15.714 285 HZ PHE 41 HZ PHE 41 -2.837 -0.937 -14.880 286 H CYS 42 H CYS 42 3.126 -4.441 -10.544 287 HA CYS 42 HA CYS 42 3.345 -5.317 -7.940 288 HB2 CYS 42 1HB CYS 42 5.460 -3.776 -9.457 289 HB3 CYS 42 2HB CYS 42 5.730 -4.890 -8.121 290 H ARG 43 H ARG 43 3.140 -4.382 -6.021 291 HA ARG 43 HA ARG 43 2.217 -1.974 -5.386 292 HB2 ARG 43 1HB ARG 43 2.748 -3.685 -3.711 293 HB3 ARG 43 2HB ARG 43 4.463 -3.338 -3.892 294 HG2 ARG 43 1HG ARG 43 4.344 -1.406 -2.699 295 HG3 ARG 43 2HG ARG 43 2.673 -1.089 -3.169 296 HD2 ARG 43 1HD ARG 43 1.810 -2.420 -1.516 297 HD3 ARG 43 2HD ARG 43 3.235 -3.457 -1.461 298 HE ARG 43 HE ARG 43 2.751 -1.130 0.110 299 HH11 ARG 43 1HH1 ARG 43 5.259 -3.000 -1.417 300 HH12 ARG 43 2HH1 ARG 43 6.493 -2.487 -0.315 301 HH21 ARG 43 1HH2 ARG 43 4.367 -0.448 1.568 302 HH22 ARG 43 2HH2 ARG 43 5.985 -1.037 1.384 303 H ALA 44 H ALA 44 5.588 -2.621 -6.196 304 HA ALA 44 HA ALA 44 6.433 0.084 -5.709 305 HB1 ALA 44 3HB ALA 44 8.329 -1.075 -5.506 306 HB2 ALA 44 1HB ALA 44 7.690 -2.443 -6.419 307 HB3 ALA 44 2HB ALA 44 8.388 -1.064 -7.269 308 H CYS 45 H CYS 45 6.301 -1.898 -8.679 309 HA CYS 45 HA CYS 45 6.869 -0.113 -10.600 310 HB2 CYS 45 1HB CYS 45 4.716 -2.215 -10.545 311 HB3 CYS 45 2HB CYS 45 5.015 -1.252 -11.988 312 H ILE 46 H ILE 46 3.479 -0.601 -9.597 313 HA ILE 46 HA ILE 46 2.281 1.469 -10.873 314 HB ILE 46 HB ILE 46 1.064 -0.136 -9.465 315 HG12 ILE 46 1HG1 ILE 46 -0.396 1.699 -8.263 316 HG13 ILE 46 2HG1 ILE 46 0.645 2.811 -9.144 317 HG21 ILE 46 1HG2 ILE 46 2.026 1.505 -7.127 318 HG22 ILE 46 2HG2 ILE 46 0.955 0.105 -7.069 319 HG23 ILE 46 3HG2 ILE 46 2.638 -0.092 -7.558 320 HD11 ILE 46 3HD1 ILE 46 -0.066 1.939 -11.235 321 HD12 ILE 46 1HD1 ILE 46 -0.917 0.605 -10.455 322 HD13 ILE 46 2HD1 ILE 46 -1.508 2.257 -10.270 323 H THR 47 H THR 47 3.999 1.667 -7.776 324 HA THR 47 HA THR 47 3.485 4.376 -7.250 325 HB THR 47 HB THR 47 5.923 2.782 -6.435 326 HG1 THR 47 1HG THR 47 3.908 1.833 -5.784 327 HG21 THR 47 3HG2 THR 47 6.407 4.414 -4.890 328 HG22 THR 47 1HG2 THR 47 4.744 4.993 -4.818 329 HG23 THR 47 2HG2 THR 47 5.761 5.403 -6.198 330 H LEU 48 H LEU 48 6.469 2.909 -8.556 331 HA LEU 48 HA LEU 48 7.777 5.280 -9.181 332 HB2 LEU 48 1HB LEU 48 8.615 2.844 -9.210 333 HB3 LEU 48 2HB LEU 48 8.030 2.818 -10.872 334 HG LEU 48 HG LEU 48 9.973 4.915 -9.970 335 HD11 LEU 48 1HD1 LEU 48 10.810 2.267 -11.114 336 HD12 LEU 48 2HD1 LEU 48 10.788 2.586 -9.380 337 HD13 LEU 48 3HD1 LEU 48 11.823 3.543 -10.439 338 HD21 LEU 48 3HD2 LEU 48 8.619 4.632 -12.275 339 HD22 LEU 48 1HD2 LEU 48 10.049 3.667 -12.643 340 HD23 LEU 48 2HD2 LEU 48 10.224 5.358 -12.170 341 H ASN 49 H ASN 49 6.057 3.156 -11.479 342 HA ASN 49 HA ASN 49 6.138 4.567 -13.758 343 HB2 ASN 49 1HB ASN 49 4.837 2.440 -13.328 344 HB3 ASN 49 2HB ASN 49 3.528 3.451 -12.724 345 HD21 ASN 49 1HD2 ASN 49 5.550 2.830 -15.541 346 HD22 ASN 49 2HD2 ASN 49 4.382 3.327 -16.713 347 H TYR 50 H TYR 50 3.905 5.254 -11.084 348 HA TYR 50 HA TYR 50 2.570 7.407 -12.290 349 HB2 TYR 50 1HB TYR 50 1.527 6.531 -10.386 350 HB3 TYR 50 2HB TYR 50 3.007 6.577 -9.436 351 HD1 TYR 50 1HD TYR 50 3.894 8.824 -8.688 352 HD2 TYR 50 2HD TYR 50 0.011 8.334 -10.358 353 HE1 TYR 50 1HE TYR 50 3.216 10.985 -7.731 354 HE2 TYR 50 2HE TYR 50 -0.677 10.496 -9.407 355 HH TYR 50 HH TYR 50 0.981 12.774 -8.626 356 H GLU 51 H GLU 51 5.341 7.382 -10.057 357 HA GLU 51 HA GLU 51 5.741 10.128 -9.891 358 HB2 GLU 51 1HB GLU 51 7.654 7.809 -9.694 359 HB3 GLU 51 2HB GLU 51 8.177 9.470 -9.454 360 HG2 GLU 51 1HG GLU 51 6.327 9.610 -7.699 361 HG3 GLU 51 2HG GLU 51 6.278 7.851 -7.800 362 H SER 52 H SER 52 7.426 7.828 -12.037 363 HA SER 52 HA SER 52 8.895 9.671 -13.494 364 HB2 SER 52 1HB SER 52 7.746 6.997 -14.306 365 HB3 SER 52 2HB SER 52 8.845 7.921 -15.330 366 HG SER 52 HG SER 52 10.464 7.447 -14.042 367 H ASN 53 H ASN 53 5.711 8.295 -14.314 368 HA ASN 53 HA ASN 53 5.305 10.564 -16.148 369 HB2 ASN 53 1HB ASN 53 3.465 8.940 -17.072 370 HB3 ASN 53 2HB ASN 53 5.150 8.710 -17.531 371 HD21 ASN 53 1HD2 ASN 53 6.306 6.985 -16.673 372 HD22 ASN 53 2HD2 ASN 53 5.523 5.645 -15.914 373 H ARG 54 H ARG 54 4.283 12.056 -14.920 374 HA ARG 54 HA ARG 54 1.702 11.262 -13.759 375 HB2 ARG 54 1HB ARG 54 2.106 12.856 -11.895 376 HB3 ARG 54 2HB ARG 54 3.216 11.491 -11.895 377 HG2 ARG 54 1HG ARG 54 5.022 12.786 -12.504 378 HG3 ARG 54 2HG ARG 54 4.011 14.044 -13.218 379 HD2 ARG 54 1HD ARG 54 3.157 14.318 -10.754 380 HD3 ARG 54 2HD ARG 54 4.689 13.540 -10.356 381 HE ARG 54 HE ARG 54 5.252 15.607 -12.124 382 HH11 ARG 54 1HH1 ARG 54 3.957 15.213 -8.917 383 HH12 ARG 54 2HH1 ARG 54 4.528 16.750 -8.356 384 HH21 ARG 54 1HH2 ARG 54 6.009 17.632 -11.398 385 HH22 ARG 54 2HH2 ARG 54 5.694 18.125 -9.769 386 H ASN 55 H ASN 55 0.159 13.020 -13.559 387 HA ASN 55 HA ASN 55 0.469 14.935 -15.747 388 HB2 ASN 55 1HB ASN 55 -1.550 13.625 -15.848 389 HB3 ASN 55 2HB ASN 55 -1.952 14.028 -14.181 390 HD21 ASN 55 1HD2 ASN 55 -3.989 14.712 -15.102 391 HD22 ASN 55 2HD2 ASN 55 -4.123 16.296 -15.778 392 H THR 56 H THR 56 0.573 17.089 -15.462 393 HA THR 56 HA THR 56 1.423 18.246 -13.124 394 HB THR 56 HB THR 56 1.632 19.417 -15.230 395 HG1 THR 56 1HG THR 56 0.356 21.454 -14.403 396 HG21 THR 56 3HG2 THR 56 -0.579 20.641 -15.978 397 HG22 THR 56 1HG2 THR 56 -1.346 19.256 -15.203 398 HG23 THR 56 2HG2 THR 56 -0.216 19.008 -16.535 399 H ASP 57 H ASP 57 -1.830 17.506 -14.097 400 HA ASP 57 HA ASP 57 -3.257 19.213 -12.398 401 HB2 ASP 57 1HB ASP 57 -4.182 17.764 -14.265 402 HB3 ASP 57 2HB ASP 57 -4.105 16.412 -13.139 403 H GLY 58 H GLY 58 -2.171 15.861 -11.867 404 HA2 GLY 58 1HA GLY 58 -1.278 15.981 -9.335 405 HA3 GLY 58 2HA GLY 58 -3.019 15.955 -9.095 406 H LYS 59 H LYS 59 -3.782 14.217 -11.125 407 HA LYS 59 HA LYS 59 -3.029 11.699 -9.935 408 HB2 LYS 59 1HB LYS 59 -4.908 12.341 -12.215 409 HB3 LYS 59 2HB LYS 59 -4.704 10.746 -11.502 410 HG2 LYS 59 1HG LYS 59 -5.401 11.772 -9.306 411 HG3 LYS 59 2HG LYS 59 -5.856 13.209 -10.225 412 HD2 LYS 59 1HD LYS 59 -7.495 12.009 -11.454 413 HD3 LYS 59 2HD LYS 59 -6.896 10.456 -10.865 414 HE2 LYS 59 1HE LYS 59 -7.665 10.932 -8.646 415 HE3 LYS 59 2HE LYS 59 -8.078 12.587 -9.091 416 HZ1 LYS 59 3HZ LYS 59 -10.070 11.326 -9.057 417 HZ2 LYS 59 1HZ LYS 59 -9.402 10.097 -10.009 418 HZ3 LYS 59 2HZ LYS 59 -9.708 11.617 -10.684 419 H GLY 60 H GLY 60 -2.799 9.806 -11.638 420 HA2 GLY 60 1HA GLY 60 -0.638 10.627 -13.477 421 HA3 GLY 60 2HA GLY 60 -0.682 9.085 -12.636 422 H ASN 61 H ASN 61 -0.616 7.781 -14.427 423 HA ASN 61 HA ASN 61 -3.111 7.505 -15.864 424 HB2 ASN 61 1HB ASN 61 -1.981 7.523 -18.097 425 HB3 ASN 61 2HB ASN 61 -2.023 9.098 -17.309 426 HD21 ASN 61 1HD2 ASN 61 -0.288 9.626 -18.771 427 HD22 ASN 61 2HD2 ASN 61 1.332 9.180 -18.368 428 H CYS 62 H CYS 62 -3.417 5.456 -16.728 429 HA CYS 62 HA CYS 62 -1.784 3.392 -15.581 430 HB2 CYS 62 1HB CYS 62 -4.288 3.270 -15.824 431 HB3 CYS 62 2HB CYS 62 -4.049 3.076 -17.557 432 HA PRO 63 HA PRO 63 0.991 3.041 -19.023 433 HB2 PRO 63 1HB PRO 63 2.227 0.769 -18.198 434 HB3 PRO 63 2HB PRO 63 2.552 2.352 -17.484 435 HG2 PRO 63 1HG PRO 63 0.788 0.149 -16.485 436 HG3 PRO 63 2HG PRO 63 1.922 1.171 -15.582 437 HD2 PRO 63 1HD PRO 63 -0.748 1.618 -15.595 438 HD3 PRO 63 2HD PRO 63 0.439 2.931 -15.465 439 H VAL 64 H VAL 64 -1.754 1.370 -18.566 440 HA VAL 64 HA VAL 64 -1.215 -0.453 -20.820 441 HB VAL 64 HB VAL 64 -3.133 -0.894 -18.528 442 HG11 VAL 64 1HG1 VAL 64 -3.593 -1.725 -21.020 443 HG12 VAL 64 2HG1 VAL 64 -2.528 -3.028 -20.490 444 HG13 VAL 64 3HG1 VAL 64 -4.015 -2.688 -19.604 445 HG21 VAL 64 3HG2 VAL 64 -1.588 -2.185 -17.539 446 HG22 VAL 64 1HG2 VAL 64 -1.057 -2.882 -19.069 447 HG23 VAL 64 2HG2 VAL 64 -0.434 -1.316 -18.550 448 H CYS 65 H CYS 65 -3.852 1.242 -19.120 449 HA CYS 65 HA CYS 65 -5.205 1.567 -21.714 450 HB2 CYS 65 1HB CYS 65 -7.268 1.927 -20.397 451 HB3 CYS 65 2HB CYS 65 -6.546 0.351 -20.088 452 H ARG 66 H ARG 66 -3.470 3.208 -19.339 453 HA ARG 66 HA ARG 66 -2.995 5.400 -18.962 454 HB2 ARG 66 1HB ARG 66 -4.208 5.738 -21.712 455 HB3 ARG 66 2HB ARG 66 -3.269 6.959 -20.863 456 HG2 ARG 66 1HG ARG 66 -2.188 4.242 -21.562 457 HG3 ARG 66 2HG ARG 66 -2.033 5.653 -22.611 458 HD2 ARG 66 1HD ARG 66 -1.187 5.895 -19.768 459 HD3 ARG 66 2HD ARG 66 -0.149 5.002 -20.879 460 HE ARG 66 HE ARG 66 -0.661 7.853 -20.874 461 HH11 ARG 66 1HH1 ARG 66 0.589 5.107 -22.612 462 HH12 ARG 66 2HH1 ARG 66 1.580 6.060 -23.666 463 HH21 ARG 66 1HH2 ARG 66 0.639 9.119 -22.256 464 HH22 ARG 66 2HH2 ARG 66 1.608 8.342 -23.462 465 H VAL 67 H VAL 67 -5.161 4.649 -17.616 466 HA VAL 67 HA VAL 67 -7.169 6.758 -18.056 467 HB VAL 67 HB VAL 67 -8.030 4.431 -18.082 468 HG11 VAL 67 1HG1 VAL 67 -7.850 2.969 -16.319 469 HG12 VAL 67 2HG1 VAL 67 -6.292 3.791 -16.226 470 HG13 VAL 67 3HG1 VAL 67 -7.600 4.253 -15.137 471 HG21 VAL 67 3HG2 VAL 67 -9.824 4.821 -16.348 472 HG22 VAL 67 1HG2 VAL 67 -8.936 6.271 -15.881 473 HG23 VAL 67 2HG2 VAL 67 -9.588 6.124 -17.513 474 HA PRO 68 HA PRO 68 -5.700 8.772 -14.411 475 HB2 PRO 68 1HB PRO 68 -7.849 10.374 -13.980 476 HB3 PRO 68 2HB PRO 68 -6.672 10.671 -15.265 477 HG2 PRO 68 1HG PRO 68 -9.367 9.377 -15.426 478 HG3 PRO 68 2HG PRO 68 -8.625 10.558 -16.522 479 HD2 PRO 68 1HD PRO 68 -8.697 7.907 -17.070 480 HD3 PRO 68 2HD PRO 68 -7.366 8.955 -17.599 481 H TYR 69 H TYR 69 -5.610 7.379 -12.715 482 HA TYR 69 HA TYR 69 -8.141 6.748 -11.344 483 HB2 TYR 69 1HB TYR 69 -7.009 4.769 -10.427 484 HB3 TYR 69 2HB TYR 69 -7.006 4.750 -12.187 485 HD1 TYR 69 1HD TYR 69 -4.943 5.102 -9.178 486 HD2 TYR 69 2HD TYR 69 -4.940 5.003 -13.432 487 HE1 TYR 69 1HE TYR 69 -2.500 4.816 -9.164 488 HE2 TYR 69 2HE TYR 69 -2.498 4.716 -13.429 489 HH TYR 69 HH TYR 69 -0.722 4.100 -10.508 490 HA PRO 70 HA PRO 70 -6.726 9.185 -7.954 491 HB2 PRO 70 1HB PRO 70 -8.336 8.154 -6.025 492 HB3 PRO 70 2HB PRO 70 -8.924 9.245 -7.286 493 HG2 PRO 70 1HG PRO 70 -9.095 6.260 -7.132 494 HG3 PRO 70 2HG PRO 70 -10.333 7.427 -7.632 495 HD2 PRO 70 1HD PRO 70 -8.866 6.007 -9.411 496 HD3 PRO 70 2HD PRO 70 -9.446 7.651 -9.748 497 H PHE 71 H PHE 71 -4.709 8.747 -7.262 498 HA PHE 71 HA PHE 71 -3.655 6.284 -6.558 499 HB2 PHE 71 1HB PHE 71 -2.496 8.587 -6.935 500 HB3 PHE 71 2HB PHE 71 -2.723 8.795 -5.202 501 HD1 PHE 71 2HD PHE 71 -1.571 7.332 -3.615 502 HD2 PHE 71 1HD PHE 71 -0.892 7.048 -7.807 503 HE1 PHE 71 2HE PHE 71 0.476 6.033 -3.192 504 HE2 PHE 71 1HE PHE 71 1.156 5.748 -7.391 505 HZ PHE 71 HZ PHE 71 1.843 5.241 -5.082 506 H GLY 72 H GLY 72 -3.172 5.306 -4.545 507 HA2 GLY 72 1HA GLY 72 -3.408 4.943 -2.244 508 HA3 GLY 72 2HA GLY 72 -4.466 6.343 -2.154 509 H ASN 73 H ASN 73 -6.227 5.499 -4.277 510 HA ASN 73 HA ASN 73 -7.915 3.755 -2.729 511 HB2 ASN 73 1HB ASN 73 -8.206 5.399 -5.190 512 HB3 ASN 73 2HB ASN 73 -9.291 4.023 -5.014 513 HD21 ASN 73 1HD2 ASN 73 -9.176 7.186 -4.603 514 HD22 ASN 73 2HD2 ASN 73 -10.220 7.383 -3.240 515 H LEU 74 H LEU 74 -5.614 2.396 -3.376 516 HA LEU 74 HA LEU 74 -6.426 0.561 -5.526 517 HB2 LEU 74 1HB LEU 74 -3.735 0.984 -4.236 518 HB3 LEU 74 2HB LEU 74 -4.079 -0.210 -5.485 519 HG LEU 74 HG LEU 74 -4.483 2.732 -5.948 520 HD11 LEU 74 1HD1 LEU 74 -2.024 1.339 -6.880 521 HD12 LEU 74 2HD1 LEU 74 -2.086 1.939 -5.223 522 HD13 LEU 74 3HD1 LEU 74 -2.306 3.053 -6.573 523 HD21 LEU 74 3HD2 LEU 74 -4.624 2.186 -8.188 524 HD22 LEU 74 1HD2 LEU 74 -5.431 0.816 -7.425 525 HD23 LEU 74 2HD2 LEU 74 -3.764 0.659 -7.979 526 H LYS 75 H LYS 75 -7.010 -1.464 -5.060 527 HA LYS 75 HA LYS 75 -6.947 -2.310 -2.268 528 HB2 LYS 75 1HB LYS 75 -8.334 -3.529 -4.663 529 HB3 LYS 75 2HB LYS 75 -8.494 -4.087 -3.003 530 HG2 LYS 75 1HG LYS 75 -9.219 -1.301 -3.865 531 HG3 LYS 75 2HG LYS 75 -10.363 -2.646 -3.876 532 HD2 LYS 75 1HD LYS 75 -10.411 -2.800 -1.579 533 HD3 LYS 75 2HD LYS 75 -8.810 -2.081 -1.392 534 HE2 LYS 75 1HE LYS 75 -9.689 0.101 -1.970 535 HE3 LYS 75 2HE LYS 75 -11.280 -0.594 -2.281 536 HZ1 LYS 75 3HZ LYS 75 -11.588 -1.050 -0.015 537 HZ2 LYS 75 1HZ LYS 75 -10.948 0.516 -0.057 538 HZ3 LYS 75 2HZ LYS 75 -9.959 -0.791 0.361 539 HA PRO 76 HA PRO 76 -3.581 -5.090 -2.833 540 HB2 PRO 76 1HB PRO 76 -4.101 -6.814 -0.801 541 HB3 PRO 76 2HB PRO 76 -3.470 -5.184 -0.539 542 HG2 PRO 76 1HG PRO 76 -6.282 -6.184 -0.314 543 HG3 PRO 76 2HG PRO 76 -5.396 -5.086 0.760 544 HD2 PRO 76 1HD PRO 76 -7.178 -4.204 -1.079 545 HD3 PRO 76 2HD PRO 76 -5.747 -3.264 -0.609 546 H ASN 77 H ASN 77 -3.346 -6.632 -4.315 547 HA ASN 77 HA ASN 77 -5.560 -8.499 -4.785 548 HB2 ASN 77 1HB ASN 77 -4.388 -6.979 -6.606 549 HB3 ASN 77 2HB ASN 77 -3.219 -8.296 -6.630 550 HD21 ASN 77 1HD2 ASN 77 -3.726 -8.962 -8.681 551 HD22 ASN 77 2HD2 ASN 77 -5.223 -9.727 -9.079 552 H LEU 78 H LEU 78 -3.998 -9.003 -2.542 553 HA LEU 78 HA LEU 78 -2.159 -11.141 -3.317 554 HB2 LEU 78 1HB LEU 78 -1.364 -11.104 -1.075 555 HB3 LEU 78 2HB LEU 78 -1.473 -9.438 -1.640 556 HG LEU 78 HG LEU 78 -3.827 -9.576 -0.418 557 HD11 LEU 78 1HD1 LEU 78 -3.819 -10.943 1.520 558 HD12 LEU 78 2HD1 LEU 78 -2.151 -11.443 1.242 559 HD13 LEU 78 3HD1 LEU 78 -3.428 -11.988 0.155 560 HD21 LEU 78 3HD2 LEU 78 -1.151 -8.731 0.329 561 HD22 LEU 78 1HD2 LEU 78 -2.158 -9.101 1.729 562 HD23 LEU 78 2HD2 LEU 78 -2.698 -7.912 0.544 563 H HIS 79 H HIS 79 -5.127 -10.588 -1.489 564 HA HIS 79 HA HIS 79 -5.399 -13.385 -0.810 565 HB2 HIS 79 1HB HIS 79 -6.907 -10.884 -0.225 566 HB3 HIS 79 2HB HIS 79 -7.784 -12.409 -0.128 567 HD2 HIS 79 2HD HIS 79 -5.962 -14.321 1.528 568 HE1 HIS 79 1HE HIS 79 -5.259 -11.092 4.188 569 HE2 HIS 79 2HE HIS 79 -5.059 -13.577 3.835 570 H VAL 80 H VAL 80 -5.202 -12.987 -3.574 571 HA VAL 80 HA VAL 80 -7.682 -12.852 -4.902 572 HB VAL 80 HB VAL 80 -6.509 -13.963 -6.795 573 HG11 VAL 80 1HG1 VAL 80 -6.382 -11.598 -6.698 574 HG12 VAL 80 2HG1 VAL 80 -5.164 -11.647 -5.421 575 HG13 VAL 80 3HG1 VAL 80 -4.753 -12.174 -7.054 576 HG21 VAL 80 3HG2 VAL 80 -3.849 -13.911 -5.994 577 HG22 VAL 80 1HG2 VAL 80 -4.697 -14.703 -4.665 578 HG23 VAL 80 2HG2 VAL 80 -4.830 -15.344 -6.302 579 H ALA 81 H ALA 81 -9.050 -14.185 -3.576 580 HA ALA 81 HA ALA 81 -8.916 -17.006 -4.367 581 HB1 ALA 81 3HB ALA 81 -8.003 -16.652 -2.031 582 HB2 ALA 81 1HB ALA 81 -9.643 -16.204 -1.562 583 HB3 ALA 81 2HB ALA 81 -9.315 -17.820 -2.189 584 H ASN 82 H ASN 82 -10.863 -17.942 -4.806 585 HA ASN 82 HA ASN 82 -13.275 -16.324 -4.322 586 HB2 ASN 82 1HB ASN 82 -12.815 -17.963 -6.818 587 HB3 ASN 82 2HB ASN 82 -14.113 -16.812 -6.509 588 HD21 ASN 82 1HD2 ASN 82 -13.729 -14.635 -6.717 589 HD22 ASN 82 2HD2 ASN 82 -12.294 -14.001 -7.439 590 H ILE 83 H ILE 83 -12.011 -19.554 -5.069 591 HA ILE 83 HA ILE 83 -14.336 -21.021 -4.614 592 HB ILE 83 HB ILE 83 -11.486 -21.867 -4.077 593 HG12 ILE 83 1HG1 ILE 83 -11.844 -21.112 -6.385 594 HG13 ILE 83 2HG1 ILE 83 -11.589 -22.853 -6.325 595 HG21 ILE 83 1HG2 ILE 83 -14.060 -23.398 -4.246 596 HG22 ILE 83 2HG2 ILE 83 -12.505 -24.164 -4.564 597 HG23 ILE 83 3HG2 ILE 83 -12.826 -23.443 -2.987 598 HD11 ILE 83 3HD1 ILE 83 -13.973 -21.307 -7.101 599 HD12 ILE 83 1HD1 ILE 83 -13.360 -22.844 -7.712 600 HD13 ILE 83 2HD1 ILE 83 -14.259 -22.794 -6.196 601 H VAL 84 H VAL 84 -12.529 -19.207 -2.426 602 HA VAL 84 HA VAL 84 -13.052 -20.808 -0.086 603 HB VAL 84 HB VAL 84 -12.143 -18.914 1.180 604 HG11 VAL 84 1HG1 VAL 84 -10.558 -20.497 0.344 605 HG12 VAL 84 2HG1 VAL 84 -10.560 -19.737 -1.249 606 HG13 VAL 84 3HG1 VAL 84 -9.875 -18.885 0.136 607 HG21 VAL 84 3HG2 VAL 84 -11.101 -17.094 -0.453 608 HG22 VAL 84 1HG2 VAL 84 -12.508 -17.537 -1.421 609 HG23 VAL 84 2HG2 VAL 84 -12.722 -16.931 0.222 610 H GLU 85 H GLU 85 -15.420 -20.338 -1.456 611 HA GLU 85 HA GLU 85 -16.824 -18.137 -0.230 612 HB2 GLU 85 1HB GLU 85 -17.364 -18.879 -2.516 613 HB3 GLU 85 2HB GLU 85 -17.871 -20.439 -1.886 614 HG2 GLU 85 1HG GLU 85 -19.821 -19.149 -2.300 615 HG3 GLU 85 2HG GLU 85 -19.611 -19.263 -0.554 Start of MODEL 2 1 H1 GLY 1 H GLY 1 9.549 6.144 3.140 2 HA2 GLY 1 1HA GLY 1 7.041 4.801 3.560 3 HA3 GLY 1 2HA GLY 1 7.521 4.835 1.870 4 H SER 2 H SER 2 7.237 2.588 3.790 5 HA SER 2 HA SER 2 10.007 1.588 3.762 6 HB2 SER 2 1HB SER 2 7.685 1.100 5.582 7 HB3 SER 2 2HB SER 2 8.873 -0.185 5.364 8 HG SER 2 HG SER 2 9.745 0.949 6.966 9 H SER 3 H SER 3 10.304 -0.698 3.263 10 HA SER 3 HA SER 3 8.198 -2.105 1.891 11 HB2 SER 3 1HB SER 3 9.404 -2.256 -0.268 12 HB3 SER 3 2HB SER 3 8.917 -0.602 0.104 13 HG SER 3 HG SER 3 11.010 -0.125 0.667 14 H GLY 4 H GLY 4 9.177 -4.167 0.831 15 HA2 GLY 4 1HA GLY 4 11.473 -5.410 1.188 16 HA3 GLY 4 2HA GLY 4 10.926 -5.348 2.857 17 H SER 5 H SER 5 11.304 -7.502 0.647 18 HA SER 5 HA SER 5 9.341 -9.277 1.609 19 HB2 SER 5 1HB SER 5 7.946 -9.553 -0.373 20 HB3 SER 5 2HB SER 5 7.848 -7.887 0.198 21 HG SER 5 HG SER 5 9.870 -8.150 -1.556 22 H SER 6 H SER 6 9.307 -11.347 0.287 23 HA SER 6 HA SER 6 11.543 -11.773 -1.487 24 HB2 SER 6 1HB SER 6 12.754 -13.328 -0.129 25 HB3 SER 6 2HB SER 6 12.518 -11.879 0.847 26 HG SER 6 HG SER 6 12.001 -13.658 2.092 27 H GLY 7 H GLY 7 11.699 -14.188 -2.049 28 HA2 GLY 7 1HA GLY 7 9.278 -15.720 -1.649 29 HA3 GLY 7 2HA GLY 7 9.474 -15.097 -3.280 30 H MET 8 H MET 8 9.314 -17.697 -3.212 31 HA MET 8 HA MET 8 11.989 -18.563 -3.920 32 HB2 MET 8 1HB MET 8 11.394 -19.078 -1.401 33 HB3 MET 8 2HB MET 8 10.483 -20.404 -2.111 34 HG2 MET 8 1HG MET 8 12.401 -21.410 -2.984 35 HG3 MET 8 2HG MET 8 13.363 -19.947 -2.787 36 HE1 MET 8 3HE MET 8 14.938 -22.709 -0.598 37 HE2 MET 8 1HE MET 8 14.785 -22.037 -2.222 38 HE3 MET 8 2HE MET 8 15.521 -21.078 -0.938 39 H ALA 9 H ALA 9 11.940 -20.776 -4.923 40 HA ALA 9 HA ALA 9 10.078 -20.880 -6.993 41 HB1 ALA 9 3HB ALA 9 12.049 -22.002 -7.440 42 HB2 ALA 9 1HB ALA 9 12.041 -22.847 -5.892 43 HB3 ALA 9 2HB ALA 9 10.920 -23.329 -7.166 44 H SER 10 H SER 10 8.515 -22.599 -7.469 45 HA SER 10 HA SER 10 7.274 -23.794 -5.096 46 HB2 SER 10 1HB SER 10 6.040 -21.836 -6.981 47 HB3 SER 10 2HB SER 10 5.030 -23.142 -6.362 48 HG SER 10 HG SER 10 6.601 -21.660 -4.573 49 H SER 11 H SER 11 5.299 -25.197 -5.949 50 HA SER 11 HA SER 11 6.301 -26.750 -8.246 51 HB2 SER 11 1HB SER 11 5.299 -28.747 -7.144 52 HB3 SER 11 2HB SER 11 6.591 -28.015 -6.193 53 HG SER 11 HG SER 11 4.993 -28.294 -4.753 54 H VAL 12 H VAL 12 4.972 -25.479 -9.646 55 HA VAL 12 HA VAL 12 2.204 -26.430 -9.698 56 HB VAL 12 HB VAL 12 2.944 -23.521 -10.046 57 HG11 VAL 12 1HG1 VAL 12 0.931 -24.792 -11.297 58 HG12 VAL 12 2HG1 VAL 12 0.131 -24.368 -9.782 59 HG13 VAL 12 3HG1 VAL 12 0.851 -23.107 -10.784 60 HG21 VAL 12 3HG2 VAL 12 1.858 -23.085 -7.984 61 HG22 VAL 12 1HG2 VAL 12 1.243 -24.734 -7.880 62 HG23 VAL 12 2HG2 VAL 12 2.968 -24.422 -7.686 63 H LEU 13 H LEU 13 1.422 -26.822 -11.714 64 HA LEU 13 HA LEU 13 2.893 -27.501 -13.823 65 HB2 LEU 13 1HB LEU 13 0.285 -27.345 -13.479 66 HB3 LEU 13 2HB LEU 13 0.467 -25.899 -14.471 67 HG LEU 13 HG LEU 13 1.388 -28.640 -15.323 68 HD11 LEU 13 1HD1 LEU 13 -0.871 -27.683 -16.782 69 HD12 LEU 13 2HD1 LEU 13 -1.258 -27.710 -15.062 70 HD13 LEU 13 3HD1 LEU 13 -0.692 -29.176 -15.861 71 HD21 LEU 13 3HD2 LEU 13 1.581 -27.676 -17.499 72 HD22 LEU 13 1HD2 LEU 13 2.457 -26.640 -16.372 73 HD23 LEU 13 2HD2 LEU 13 0.862 -26.160 -16.953 74 H GLU 14 H GLU 14 4.651 -26.423 -14.509 75 HA GLU 14 HA GLU 14 5.044 -23.687 -14.604 76 HB2 GLU 14 1HB GLU 14 6.226 -25.908 -16.264 77 HB3 GLU 14 2HB GLU 14 6.759 -24.239 -16.409 78 HG2 GLU 14 1HG GLU 14 6.770 -25.725 -13.801 79 HG3 GLU 14 2HG GLU 14 8.133 -25.736 -14.918 80 H MET 15 H MET 15 4.506 -22.075 -15.961 81 HA MET 15 HA MET 15 3.586 -22.601 -18.645 82 HB2 MET 15 1HB MET 15 1.719 -21.902 -16.435 83 HB3 MET 15 2HB MET 15 1.461 -21.126 -17.991 84 HG2 MET 15 1HG MET 15 1.694 -23.620 -18.850 85 HG3 MET 15 2HG MET 15 1.154 -23.964 -17.209 86 HE1 MET 15 3HE MET 15 -0.681 -24.327 -20.377 87 HE2 MET 15 1HE MET 15 -0.425 -25.231 -18.884 88 HE3 MET 15 2HE MET 15 -2.022 -24.581 -19.258 89 H ILE 16 H ILE 16 3.825 -20.854 -19.972 90 HA ILE 16 HA ILE 16 5.078 -18.499 -18.769 91 HB ILE 16 HB ILE 16 4.926 -19.345 -21.665 92 HG12 ILE 16 1HG1 ILE 16 7.430 -19.260 -20.020 93 HG13 ILE 16 2HG1 ILE 16 6.358 -20.651 -19.896 94 HG21 ILE 16 1HG2 ILE 16 6.896 -17.344 -20.754 95 HG22 ILE 16 2HG2 ILE 16 6.008 -17.454 -22.272 96 HG23 ILE 16 3HG2 ILE 16 5.216 -16.814 -20.831 97 HD11 ILE 16 3HD1 ILE 16 6.572 -20.471 -22.564 98 HD12 ILE 16 1HD1 ILE 16 8.138 -19.817 -22.083 99 HD13 ILE 16 2HD1 ILE 16 7.655 -21.429 -21.555 100 H LYS 17 H LYS 17 3.087 -17.609 -17.973 101 HA LYS 17 HA LYS 17 1.050 -16.820 -19.866 102 HB2 LYS 17 1HB LYS 17 0.757 -17.472 -17.362 103 HB3 LYS 17 2HB LYS 17 1.227 -15.808 -17.046 104 HG2 LYS 17 1HG LYS 17 -1.131 -15.856 -17.063 105 HG3 LYS 17 2HG LYS 17 -0.635 -15.100 -18.579 106 HD2 LYS 17 1HD LYS 17 -0.779 -17.552 -19.493 107 HD3 LYS 17 2HD LYS 17 -1.833 -17.793 -18.097 108 HE2 LYS 17 1HE LYS 17 -3.314 -16.060 -18.847 109 HE3 LYS 17 2HE LYS 17 -2.209 -15.613 -20.145 110 HZ1 LYS 17 3HZ LYS 17 -2.605 -18.188 -20.689 111 HZ2 LYS 17 1HZ LYS 17 -3.546 -16.942 -21.342 112 HZ3 LYS 17 2HZ LYS 17 -4.102 -17.806 -19.998 113 H GLU 18 H GLU 18 0.976 -14.966 -20.955 114 HA GLU 18 HA GLU 18 2.712 -12.757 -20.064 115 HB2 GLU 18 1HB GLU 18 2.128 -13.771 -22.838 116 HB3 GLU 18 2HB GLU 18 2.728 -12.143 -22.559 117 HG2 GLU 18 1HG GLU 18 4.561 -13.434 -21.169 118 HG3 GLU 18 2HG GLU 18 4.101 -14.752 -22.245 119 H GLU 19 H GLU 19 -0.054 -13.214 -19.345 120 HA GLU 19 HA GLU 19 -1.264 -10.839 -20.601 121 HB2 GLU 19 1HB GLU 19 -2.439 -13.506 -19.966 122 HB3 GLU 19 2HB GLU 19 -3.464 -12.087 -19.808 123 HG2 GLU 19 1HG GLU 19 -3.008 -11.499 -22.136 124 HG3 GLU 19 2HG GLU 19 -1.989 -12.928 -22.293 125 H VAL 20 H VAL 20 -1.024 -12.817 -17.679 126 HA VAL 20 HA VAL 20 -2.286 -10.771 -16.057 127 HB VAL 20 HB VAL 20 -1.856 -12.305 -14.167 128 HG11 VAL 20 1HG1 VAL 20 -3.012 -14.160 -16.123 129 HG12 VAL 20 2HG1 VAL 20 -3.704 -13.488 -14.645 130 HG13 VAL 20 3HG1 VAL 20 -3.716 -12.543 -16.135 131 HG21 VAL 20 3HG2 VAL 20 -0.598 -14.048 -16.284 132 HG22 VAL 20 1HG2 VAL 20 0.218 -13.303 -14.910 133 HG23 VAL 20 2HG2 VAL 20 -0.983 -14.566 -14.643 134 H THR 21 H THR 21 0.930 -12.189 -16.479 135 HA THR 21 HA THR 21 2.376 -11.078 -14.472 136 HB THR 21 HB THR 21 3.336 -11.062 -17.336 137 HG1 THR 21 1HG THR 21 2.542 -13.119 -16.886 138 HG21 THR 21 3HG2 THR 21 5.530 -11.369 -16.374 139 HG22 THR 21 1HG2 THR 21 4.846 -11.467 -14.752 140 HG23 THR 21 2HG2 THR 21 4.779 -9.949 -15.648 141 H CYS 22 H CYS 22 3.518 -9.148 -14.119 142 HA CYS 22 HA CYS 22 2.181 -6.780 -14.535 143 HB2 CYS 22 1HB CYS 22 4.152 -7.306 -12.957 144 HB3 CYS 22 2HB CYS 22 5.182 -6.866 -14.315 145 HA PRO 23 HA PRO 23 2.893 -6.102 -18.882 146 HB2 PRO 23 1HB PRO 23 1.547 -3.748 -19.013 147 HB3 PRO 23 2HB PRO 23 0.735 -5.318 -18.956 148 HG2 PRO 23 1HG PRO 23 1.232 -3.360 -16.746 149 HG3 PRO 23 2HG PRO 23 -0.232 -4.292 -17.106 150 HD2 PRO 23 1HD PRO 23 1.521 -5.020 -15.175 151 HD3 PRO 23 2HD PRO 23 0.590 -6.204 -16.115 152 H ILE 24 H ILE 24 4.354 -4.673 -16.321 153 HA ILE 24 HA ILE 24 5.677 -2.614 -17.957 154 HB ILE 24 HB ILE 24 5.495 -2.877 -14.955 155 HG12 ILE 24 1HG1 ILE 24 4.578 -0.512 -16.541 156 HG13 ILE 24 2HG1 ILE 24 3.562 -1.949 -16.491 157 HG21 ILE 24 1HG2 ILE 24 6.676 -0.671 -14.947 158 HG22 ILE 24 2HG2 ILE 24 7.668 -2.037 -15.454 159 HG23 ILE 24 3HG2 ILE 24 7.024 -0.921 -16.658 160 HD11 ILE 24 3HD1 ILE 24 3.946 0.110 -14.513 161 HD12 ILE 24 1HD1 ILE 24 2.706 -1.139 -14.618 162 HD13 ILE 24 2HD1 ILE 24 4.251 -1.493 -13.845 163 H CYS 25 H CYS 25 6.540 -4.726 -15.210 164 HA CYS 25 HA CYS 25 9.263 -4.913 -16.211 165 HB2 CYS 25 1HB CYS 25 9.632 -6.227 -14.094 166 HB3 CYS 25 2HB CYS 25 9.076 -4.574 -13.851 167 H LEU 26 H LEU 26 6.361 -6.791 -16.118 168 HA LEU 26 HA LEU 26 5.800 -8.791 -17.044 169 HB2 LEU 26 1HB LEU 26 8.533 -8.686 -18.310 170 HB3 LEU 26 2HB LEU 26 7.186 -9.711 -18.804 171 HG LEU 26 HG LEU 26 6.986 -6.716 -18.886 172 HD11 LEU 26 1HD1 LEU 26 8.648 -6.736 -20.389 173 HD12 LEU 26 2HD1 LEU 26 7.439 -7.430 -21.468 174 HD13 LEU 26 3HD1 LEU 26 8.564 -8.484 -20.611 175 HD21 LEU 26 3HD2 LEU 26 5.575 -8.971 -20.304 176 HD22 LEU 26 1HD2 LEU 26 5.341 -7.261 -20.663 177 HD23 LEU 26 2HD2 LEU 26 4.902 -7.896 -19.077 178 H GLU 27 H GLU 27 6.517 -8.998 -14.503 179 HA GLU 27 HA GLU 27 7.753 -11.623 -14.395 180 HB2 GLU 27 1HB GLU 27 9.522 -11.120 -13.000 181 HB3 GLU 27 2HB GLU 27 9.506 -9.713 -14.054 182 HG2 GLU 27 1HG GLU 27 8.223 -8.485 -12.345 183 HG3 GLU 27 2HG GLU 27 8.346 -9.886 -11.282 184 H LEU 28 H LEU 28 7.446 -12.676 -12.301 185 HA LEU 28 HA LEU 28 4.960 -12.844 -11.371 186 HB2 LEU 28 1HB LEU 28 7.579 -13.159 -10.012 187 HB3 LEU 28 2HB LEU 28 6.131 -13.181 -9.007 188 HG LEU 28 HG LEU 28 6.899 -15.435 -9.613 189 HD11 LEU 28 1HD1 LEU 28 4.288 -14.372 -9.869 190 HD12 LEU 28 2HD1 LEU 28 4.770 -16.007 -9.416 191 HD13 LEU 28 3HD1 LEU 28 4.492 -15.608 -11.111 192 HD21 LEU 28 3HD2 LEU 28 6.578 -16.185 -11.964 193 HD22 LEU 28 1HD2 LEU 28 7.895 -15.032 -11.755 194 HD23 LEU 28 2HD2 LEU 28 6.354 -14.497 -12.426 195 H LEU 29 H LEU 29 3.501 -11.466 -10.628 196 HA LEU 29 HA LEU 29 4.157 -8.831 -9.795 197 HB2 LEU 29 1HB LEU 29 1.581 -10.380 -9.580 198 HB3 LEU 29 2HB LEU 29 1.747 -8.657 -9.253 199 HG LEU 29 HG LEU 29 2.567 -9.675 -11.929 200 HD11 LEU 29 1HD1 LEU 29 -0.299 -9.211 -11.115 201 HD12 LEU 29 2HD1 LEU 29 0.416 -10.767 -11.535 202 HD13 LEU 29 3HD1 LEU 29 0.283 -9.500 -12.754 203 HD21 LEU 29 3HD2 LEU 29 1.145 -7.169 -11.038 204 HD22 LEU 29 1HD2 LEU 29 1.818 -7.496 -12.635 205 HD23 LEU 29 2HD2 LEU 29 2.891 -7.320 -11.246 206 H LYS 30 H LYS 30 4.772 -8.140 -7.863 207 HA LYS 30 HA LYS 30 4.399 -9.907 -5.548 208 HB2 LYS 30 1HB LYS 30 6.253 -7.540 -5.864 209 HB3 LYS 30 2HB LYS 30 6.201 -8.641 -4.493 210 HG2 LYS 30 1HG LYS 30 6.855 -9.500 -7.301 211 HG3 LYS 30 2HG LYS 30 8.065 -9.046 -6.099 212 HD2 LYS 30 1HD LYS 30 6.912 -10.815 -4.609 213 HD3 LYS 30 2HD LYS 30 6.210 -11.402 -6.119 214 HE2 LYS 30 1HE LYS 30 8.293 -11.971 -7.003 215 HE3 LYS 30 2HE LYS 30 9.162 -10.947 -5.861 216 HZ1 LYS 30 3HZ LYS 30 8.665 -12.465 -4.101 217 HZ2 LYS 30 1HZ LYS 30 9.337 -13.348 -5.378 218 HZ3 LYS 30 2HZ LYS 30 7.669 -13.397 -5.101 219 H GLU 31 H GLU 31 2.859 -9.426 -4.139 220 HA GLU 31 HA GLU 31 1.086 -8.277 -3.224 221 HB2 GLU 31 1HB GLU 31 3.408 -6.414 -2.698 222 HB3 GLU 31 2HB GLU 31 1.859 -6.337 -1.870 223 HG2 GLU 31 1HG GLU 31 2.405 -8.861 -1.345 224 HG3 GLU 31 2HG GLU 31 4.059 -8.310 -1.604 225 HA PRO 32 HA PRO 32 0.835 -5.249 -6.856 226 HB2 PRO 32 1HB PRO 32 -0.989 -6.630 -8.318 227 HB3 PRO 32 2HB PRO 32 0.756 -6.851 -8.501 228 HG2 PRO 32 1HG PRO 32 -1.213 -8.509 -6.973 229 HG3 PRO 32 2HG PRO 32 0.119 -9.035 -8.018 230 HD2 PRO 32 1HD PRO 32 0.309 -9.011 -5.317 231 HD3 PRO 32 2HD PRO 32 1.703 -8.711 -6.375 232 H VAL 33 H VAL 33 -0.956 -3.895 -7.316 233 HA VAL 33 HA VAL 33 -3.279 -4.286 -5.543 234 HB VAL 33 HB VAL 33 -3.433 -1.821 -5.351 235 HG11 VAL 33 1HG1 VAL 33 -0.768 -2.075 -4.308 236 HG12 VAL 33 2HG1 VAL 33 -2.308 -2.032 -3.446 237 HG13 VAL 33 3HG1 VAL 33 -1.673 -3.565 -4.044 238 HG21 VAL 33 3HG2 VAL 33 -2.297 -1.112 -7.333 239 HG22 VAL 33 1HG2 VAL 33 -1.399 -0.496 -5.945 240 HG23 VAL 33 2HG2 VAL 33 -0.806 -1.904 -6.825 241 H SER 34 H SER 34 -5.209 -4.261 -6.500 242 HA SER 34 HA SER 34 -5.415 -3.994 -9.333 243 HB2 SER 34 1HB SER 34 -7.816 -4.428 -8.980 244 HB3 SER 34 2HB SER 34 -6.817 -5.581 -8.096 245 HG SER 34 HG SER 34 -8.715 -4.146 -7.098 246 H ALA 35 H ALA 35 -6.885 -2.538 -10.448 247 HA ALA 35 HA ALA 35 -7.291 0.029 -9.069 248 HB1 ALA 35 3HB ALA 35 -5.406 0.548 -10.310 249 HB2 ALA 35 1HB ALA 35 -5.892 -0.470 -11.665 250 HB3 ALA 35 2HB ALA 35 -6.716 1.062 -11.373 251 H ASP 36 H ASP 36 -8.679 1.513 -10.571 252 HA ASP 36 HA ASP 36 -11.217 0.414 -10.780 253 HB2 ASP 36 1HB ASP 36 -11.175 2.743 -10.671 254 HB3 ASP 36 2HB ASP 36 -9.946 2.878 -11.925 255 H CYS 37 H CYS 37 -8.682 0.703 -13.206 256 HA CYS 37 HA CYS 37 -10.372 -0.335 -15.312 257 HB2 CYS 37 1HB CYS 37 -8.289 -0.230 -16.676 258 HB3 CYS 37 2HB CYS 37 -8.706 1.305 -15.922 259 H ASN 38 H ASN 38 -10.112 -2.041 -13.045 260 HA ASN 38 HA ASN 38 -9.396 -4.132 -12.380 261 HB2 ASN 38 1HB ASN 38 -10.321 -4.466 -15.234 262 HB3 ASN 38 2HB ASN 38 -9.931 -5.837 -14.200 263 HD21 ASN 38 1HD2 ASN 38 -11.153 -6.092 -12.234 264 HD22 ASN 38 2HD2 ASN 38 -12.783 -5.524 -12.164 265 H HIS 39 H HIS 39 -7.141 -2.708 -12.867 266 HA HIS 39 HA HIS 39 -5.401 -4.710 -14.138 267 HB2 HIS 39 1HB HIS 39 -5.288 -1.710 -14.448 268 HB3 HIS 39 2HB HIS 39 -3.928 -2.759 -14.837 269 HD2 HIS 39 2HD HIS 39 -6.251 -4.995 -16.218 270 HE1 HIS 39 1HE HIS 39 -6.331 -1.897 -19.116 271 HE2 HIS 39 2HE HIS 39 -6.981 -4.273 -18.592 272 H SER 40 H SER 40 -3.819 -5.413 -12.862 273 HA SER 40 HA SER 40 -3.186 -3.843 -10.450 274 HB2 SER 40 1HB SER 40 -2.780 -6.818 -10.782 275 HB3 SER 40 2HB SER 40 -2.742 -5.881 -9.288 276 HG SER 40 HG SER 40 -4.857 -5.909 -9.207 277 H PHE 41 H PHE 41 -1.020 -3.719 -9.758 278 HA PHE 41 HA PHE 41 1.054 -4.733 -11.531 279 HB2 PHE 41 1HB PHE 41 1.147 -1.817 -10.832 280 HB3 PHE 41 2HB PHE 41 1.975 -2.675 -12.127 281 HD1 PHE 41 1HD PHE 41 -1.197 -1.182 -11.056 282 HD2 PHE 41 2HD PHE 41 0.905 -3.082 -14.232 283 HE1 PHE 41 1HE PHE 41 -2.963 -0.501 -12.628 284 HE2 PHE 41 2HE PHE 41 -0.857 -2.404 -15.809 285 HZ PHE 41 HZ PHE 41 -2.794 -1.111 -15.008 286 H CYS 42 H CYS 42 3.202 -4.562 -10.618 287 HA CYS 42 HA CYS 42 3.428 -5.381 -8.014 288 HB2 CYS 42 1HB CYS 42 5.527 -3.765 -9.470 289 HB3 CYS 42 2HB CYS 42 5.794 -4.924 -8.173 290 H ARG 43 H ARG 43 3.237 -4.454 -6.086 291 HA ARG 43 HA ARG 43 2.211 -2.072 -5.468 292 HB2 ARG 43 1HB ARG 43 2.814 -3.800 -3.805 293 HB3 ARG 43 2HB ARG 43 4.501 -3.318 -3.937 294 HG2 ARG 43 1HG ARG 43 3.781 -2.242 -2.018 295 HG3 ARG 43 2HG ARG 43 3.669 -0.984 -3.251 296 HD2 ARG 43 1HD ARG 43 1.261 -1.535 -3.512 297 HD3 ARG 43 2HD ARG 43 1.414 -2.668 -2.170 298 HE ARG 43 HE ARG 43 1.485 -0.891 -0.701 299 HH11 ARG 43 1HH1 ARG 43 1.708 0.254 -3.981 300 HH12 ARG 43 2HH1 ARG 43 1.469 1.917 -3.555 301 HH21 ARG 43 1HH2 ARG 43 1.170 1.294 -0.127 302 HH22 ARG 43 2HH2 ARG 43 1.164 2.507 -1.363 303 H ALA 44 H ALA 44 5.629 -2.621 -6.179 304 HA ALA 44 HA ALA 44 6.396 0.096 -5.698 305 HB1 ALA 44 3HB ALA 44 8.538 -0.570 -6.141 306 HB2 ALA 44 1HB ALA 44 7.818 -2.121 -5.707 307 HB3 ALA 44 2HB ALA 44 8.045 -1.697 -7.405 308 H CYS 45 H CYS 45 6.233 -1.849 -8.689 309 HA CYS 45 HA CYS 45 6.770 -0.008 -10.586 310 HB2 CYS 45 1HB CYS 45 4.666 -2.165 -10.572 311 HB3 CYS 45 2HB CYS 45 4.978 -1.185 -12.001 312 H ILE 46 H ILE 46 3.424 -0.606 -9.495 313 HA ILE 46 HA ILE 46 2.158 1.460 -10.760 314 HB ILE 46 HB ILE 46 1.008 -0.257 -9.400 315 HG12 ILE 46 1HG1 ILE 46 -0.619 1.434 -8.273 316 HG13 ILE 46 2HG1 ILE 46 0.415 2.661 -8.997 317 HG21 ILE 46 1HG2 ILE 46 2.674 0.737 -7.356 318 HG22 ILE 46 2HG2 ILE 46 1.013 1.084 -6.880 319 HG23 ILE 46 3HG2 ILE 46 1.493 -0.570 -7.258 320 HD11 ILE 46 3HD1 ILE 46 -1.152 2.452 -10.625 321 HD12 ILE 46 1HD1 ILE 46 -0.002 1.231 -11.169 322 HD13 ILE 46 2HD1 ILE 46 -1.448 0.748 -10.281 323 H THR 47 H THR 47 4.244 1.624 -7.973 324 HA THR 47 HA THR 47 3.522 4.322 -7.278 325 HB THR 47 HB THR 47 5.935 2.729 -6.392 326 HG1 THR 47 1HG THR 47 4.677 1.918 -4.827 327 HG21 THR 47 3HG2 THR 47 6.370 4.356 -4.852 328 HG22 THR 47 1HG2 THR 47 4.681 4.847 -4.730 329 HG23 THR 47 2HG2 THR 47 5.652 5.363 -6.109 330 H LEU 48 H LEU 48 6.482 2.815 -8.586 331 HA LEU 48 HA LEU 48 7.816 5.223 -9.136 332 HB2 LEU 48 1HB LEU 48 9.112 3.265 -9.054 333 HB3 LEU 48 2HB LEU 48 8.080 2.436 -10.217 334 HG LEU 48 HG LEU 48 8.937 4.214 -11.890 335 HD11 LEU 48 1HD1 LEU 48 10.953 4.437 -9.668 336 HD12 LEU 48 2HD1 LEU 48 10.023 5.729 -10.426 337 HD13 LEU 48 3HD1 LEU 48 11.289 4.904 -11.336 338 HD21 LEU 48 3HD2 LEU 48 10.322 2.625 -12.695 339 HD22 LEU 48 1HD2 LEU 48 9.603 1.652 -11.412 340 HD23 LEU 48 2HD2 LEU 48 11.167 2.427 -11.159 341 H ASN 49 H ASN 49 6.122 3.034 -11.389 342 HA ASN 49 HA ASN 49 6.327 4.394 -13.723 343 HB2 ASN 49 1HB ASN 49 5.066 2.234 -13.291 344 HB3 ASN 49 2HB ASN 49 3.698 3.229 -12.800 345 HD21 ASN 49 1HD2 ASN 49 5.004 1.577 -15.300 346 HD22 ASN 49 2HD2 ASN 49 4.246 2.393 -16.622 347 H TYR 50 H TYR 50 4.002 5.081 -11.135 348 HA TYR 50 HA TYR 50 2.654 7.174 -12.456 349 HB2 TYR 50 1HB TYR 50 1.442 6.453 -10.648 350 HB3 TYR 50 2HB TYR 50 2.870 6.217 -9.646 351 HD1 TYR 50 2HD TYR 50 1.079 9.054 -11.308 352 HD2 TYR 50 1HD TYR 50 3.083 7.623 -7.838 353 HE1 TYR 50 2HE TYR 50 0.627 11.189 -10.174 354 HE2 TYR 50 1HE TYR 50 2.636 9.754 -6.694 355 HH TYR 50 HH TYR 50 0.891 12.385 -8.327 356 H GLU 51 H GLU 51 5.052 7.387 -9.819 357 HA GLU 51 HA GLU 51 5.438 10.081 -9.727 358 HB2 GLU 51 1HB GLU 51 7.618 7.992 -9.557 359 HB3 GLU 51 2HB GLU 51 7.720 9.635 -8.940 360 HG2 GLU 51 1HG GLU 51 5.544 7.826 -7.996 361 HG3 GLU 51 2HG GLU 51 7.171 7.674 -7.335 362 H SER 52 H SER 52 6.945 7.820 -12.000 363 HA SER 52 HA SER 52 8.546 9.765 -13.306 364 HB2 SER 52 1HB SER 52 9.037 7.350 -13.413 365 HB3 SER 52 2HB SER 52 7.559 7.094 -14.340 366 HG SER 52 HG SER 52 9.471 8.944 -15.242 367 H ASN 53 H ASN 53 5.399 8.314 -14.077 368 HA ASN 53 HA ASN 53 4.948 10.524 -15.974 369 HB2 ASN 53 1HB ASN 53 3.709 7.781 -16.211 370 HB3 ASN 53 2HB ASN 53 3.714 9.071 -17.410 371 HD21 ASN 53 1HD2 ASN 53 4.768 6.201 -17.225 372 HD22 ASN 53 2HD2 ASN 53 6.374 6.326 -17.847 373 H ARG 54 H ARG 54 3.538 11.896 -15.116 374 HA ARG 54 HA ARG 54 0.992 10.919 -14.144 375 HB2 ARG 54 1HB ARG 54 1.182 12.316 -12.044 376 HB3 ARG 54 2HB ARG 54 2.146 10.845 -12.071 377 HG2 ARG 54 1HG ARG 54 3.982 12.517 -13.003 378 HG3 ARG 54 2HG ARG 54 3.002 13.679 -12.106 379 HD2 ARG 54 1HD ARG 54 3.724 11.133 -10.758 380 HD3 ARG 54 2HD ARG 54 4.993 12.338 -10.976 381 HE ARG 54 HE ARG 54 2.687 12.523 -9.236 382 HH11 ARG 54 1HH1 ARG 54 5.290 14.204 -10.823 383 HH12 ARG 54 2HH1 ARG 54 5.265 15.546 -9.727 384 HH21 ARG 54 1HH2 ARG 54 2.644 14.284 -7.787 385 HH22 ARG 54 2HH2 ARG 54 3.760 15.590 -8.000 386 H ASN 55 H ASN 55 -0.437 12.849 -13.512 387 HA ASN 55 HA ASN 55 -0.090 14.884 -15.582 388 HB2 ASN 55 1HB ASN 55 -2.450 13.934 -13.973 389 HB3 ASN 55 2HB ASN 55 -2.509 15.449 -14.870 390 HD21 ASN 55 1HD2 ASN 55 -2.127 11.981 -15.138 391 HD22 ASN 55 2HD2 ASN 55 -2.580 11.868 -16.801 392 H THR 56 H THR 56 -0.669 17.134 -15.071 393 HA THR 56 HA THR 56 0.883 18.214 -13.051 394 HB THR 56 HB THR 56 -0.410 20.322 -13.385 395 HG1 THR 56 1HG THR 56 -2.399 20.039 -14.047 396 HG21 THR 56 3HG2 THR 56 0.232 18.991 -16.012 397 HG22 THR 56 1HG2 THR 56 1.468 19.560 -14.891 398 HG23 THR 56 2HG2 THR 56 0.337 20.706 -15.612 399 H ASP 57 H ASP 57 -2.666 17.865 -13.080 400 HA ASP 57 HA ASP 57 -3.214 18.852 -10.561 401 HB2 ASP 57 1HB ASP 57 -4.605 16.521 -11.898 402 HB3 ASP 57 2HB ASP 57 -5.273 17.551 -10.634 403 H GLY 58 H GLY 58 -2.567 15.457 -11.442 404 HA2 GLY 58 1HA GLY 58 -0.909 14.750 -9.409 405 HA3 GLY 58 2HA GLY 58 -2.503 14.639 -8.678 406 H LYS 59 H LYS 59 -4.114 13.482 -10.335 407 HA LYS 59 HA LYS 59 -3.680 10.822 -10.289 408 HB2 LYS 59 1HB LYS 59 -5.233 12.535 -12.187 409 HB3 LYS 59 2HB LYS 59 -5.110 10.809 -12.501 410 HG2 LYS 59 1HG LYS 59 -6.152 10.283 -10.419 411 HG3 LYS 59 2HG LYS 59 -6.095 11.971 -9.906 412 HD2 LYS 59 1HD LYS 59 -8.254 11.886 -10.635 413 HD3 LYS 59 2HD LYS 59 -7.463 12.307 -12.156 414 HE2 LYS 59 1HE LYS 59 -7.413 9.933 -12.772 415 HE3 LYS 59 2HE LYS 59 -8.220 9.527 -11.259 416 HZ1 LYS 59 3HZ LYS 59 -10.189 10.075 -12.100 417 HZ2 LYS 59 1HZ LYS 59 -9.447 10.086 -13.621 418 HZ3 LYS 59 2HZ LYS 59 -9.619 11.527 -12.754 419 H GLY 60 H GLY 60 -3.163 9.229 -11.970 420 HA2 GLY 60 1HA GLY 60 -1.035 10.216 -13.769 421 HA3 GLY 60 2HA GLY 60 -0.920 8.694 -12.897 422 H ASN 61 H ASN 61 -0.498 7.909 -15.132 423 HA ASN 61 HA ASN 61 -3.047 7.257 -16.453 424 HB2 ASN 61 1HB ASN 61 -1.507 7.116 -18.574 425 HB3 ASN 61 2HB ASN 61 -2.130 8.674 -18.040 426 HD21 ASN 61 1HD2 ASN 61 -0.744 10.177 -17.167 427 HD22 ASN 61 2HD2 ASN 61 0.975 10.020 -17.246 428 H CYS 62 H CYS 62 -3.316 5.169 -17.143 429 HA CYS 62 HA CYS 62 -1.599 3.199 -15.940 430 HB2 CYS 62 1HB CYS 62 -4.024 2.878 -15.951 431 HB3 CYS 62 2HB CYS 62 -4.032 2.886 -17.712 432 HA PRO 63 HA PRO 63 1.038 2.681 -19.460 433 HB2 PRO 63 1HB PRO 63 2.280 0.421 -18.610 434 HB3 PRO 63 2HB PRO 63 2.643 2.022 -17.954 435 HG2 PRO 63 1HG PRO 63 0.893 -0.133 -16.833 436 HG3 PRO 63 2HG PRO 63 2.067 0.903 -15.999 437 HD2 PRO 63 1HD PRO 63 -0.598 1.377 -15.936 438 HD3 PRO 63 2HD PRO 63 0.605 2.682 -15.884 439 H VAL 64 H VAL 64 -1.705 1.052 -18.861 440 HA VAL 64 HA VAL 64 -1.254 -0.859 -21.061 441 HB VAL 64 HB VAL 64 -3.125 -1.157 -18.708 442 HG11 VAL 64 1HG1 VAL 64 -4.029 -3.041 -19.660 443 HG12 VAL 64 2HG1 VAL 64 -3.791 -2.032 -21.088 444 HG13 VAL 64 3HG1 VAL 64 -2.638 -3.312 -20.709 445 HG21 VAL 64 3HG2 VAL 64 -1.288 -3.320 -19.085 446 HG22 VAL 64 1HG2 VAL 64 -0.401 -1.798 -18.998 447 HG23 VAL 64 2HG2 VAL 64 -1.488 -2.261 -17.689 448 H CYS 65 H CYS 65 -3.930 0.792 -19.368 449 HA CYS 65 HA CYS 65 -5.293 1.084 -21.952 450 HB2 CYS 65 1HB CYS 65 -7.305 1.592 -20.581 451 HB3 CYS 65 2HB CYS 65 -6.633 -0.002 -20.254 452 H ARG 66 H ARG 66 -3.536 2.830 -19.629 453 HA ARG 66 HA ARG 66 -3.004 5.028 -19.395 454 HB2 ARG 66 1HB ARG 66 -4.193 5.235 -22.167 455 HB3 ARG 66 2HB ARG 66 -3.224 6.476 -21.384 456 HG2 ARG 66 1HG ARG 66 -2.145 3.714 -21.778 457 HG3 ARG 66 2HG ARG 66 -2.100 4.905 -23.080 458 HD2 ARG 66 1HD ARG 66 -1.093 6.413 -21.139 459 HD3 ARG 66 2HD ARG 66 -0.625 4.837 -20.504 460 HE ARG 66 HE ARG 66 0.058 5.312 -23.276 461 HH11 ARG 66 1HH1 ARG 66 1.081 5.455 -19.951 462 HH12 ARG 66 2HH1 ARG 66 2.770 5.448 -20.334 463 HH21 ARG 66 1HH2 ARG 66 2.280 5.301 -23.793 464 HH22 ARG 66 2HH2 ARG 66 3.451 5.361 -22.520 465 H VAL 67 H VAL 67 -5.252 4.344 -18.078 466 HA VAL 67 HA VAL 67 -7.183 6.494 -18.635 467 HB VAL 67 HB VAL 67 -7.550 4.017 -16.944 468 HG11 VAL 67 1HG1 VAL 67 -9.737 5.844 -17.864 469 HG12 VAL 67 2HG1 VAL 67 -9.739 4.680 -16.537 470 HG13 VAL 67 3HG1 VAL 67 -8.836 6.188 -16.387 471 HG21 VAL 67 3HG2 VAL 67 -9.088 4.500 -19.437 472 HG22 VAL 67 1HG2 VAL 67 -7.412 3.971 -19.593 473 HG23 VAL 67 2HG2 VAL 67 -8.570 2.983 -18.702 474 HA PRO 68 HA PRO 68 -5.754 8.637 -15.050 475 HB2 PRO 68 1HB PRO 68 -7.897 10.267 -14.701 476 HB3 PRO 68 2HB PRO 68 -6.707 10.507 -15.986 477 HG2 PRO 68 1HG PRO 68 -9.408 9.224 -16.122 478 HG3 PRO 68 2HG PRO 68 -8.649 10.356 -17.256 479 HD2 PRO 68 1HD PRO 68 -8.733 7.687 -17.700 480 HD3 PRO 68 2HD PRO 68 -7.391 8.706 -18.258 481 H TYR 69 H TYR 69 -5.681 7.400 -13.252 482 HA TYR 69 HA TYR 69 -8.231 6.791 -11.906 483 HB2 TYR 69 1HB TYR 69 -7.131 4.860 -10.894 484 HB3 TYR 69 2HB TYR 69 -7.023 4.775 -12.649 485 HD1 TYR 69 1HD TYR 69 -5.132 5.409 -9.552 486 HD2 TYR 69 2HD TYR 69 -4.906 4.866 -13.765 487 HE1 TYR 69 1HE TYR 69 -2.691 5.156 -9.382 488 HE2 TYR 69 2HE TYR 69 -2.465 4.610 -13.607 489 HH TYR 69 HH TYR 69 -0.638 5.365 -11.969 490 HA PRO 70 HA PRO 70 -6.928 9.358 -8.576 491 HB2 PRO 70 1HB PRO 70 -8.442 8.287 -6.593 492 HB3 PRO 70 2HB PRO 70 -9.115 9.299 -7.876 493 HG2 PRO 70 1HG PRO 70 -9.095 6.316 -7.631 494 HG3 PRO 70 2HG PRO 70 -10.411 7.387 -8.146 495 HD2 PRO 70 1HD PRO 70 -8.881 6.009 -9.905 496 HD3 PRO 70 2HD PRO 70 -9.569 7.601 -10.281 497 H PHE 71 H PHE 71 -4.736 8.557 -8.518 498 HA PHE 71 HA PHE 71 -3.727 6.282 -7.452 499 HB2 PHE 71 1HB PHE 71 -2.448 8.285 -8.355 500 HB3 PHE 71 2HB PHE 71 -2.584 8.984 -6.745 501 HD1 PHE 71 2HD PHE 71 -1.675 7.584 -4.788 502 HD2 PHE 71 1HD PHE 71 -0.691 6.868 -8.867 503 HE1 PHE 71 2HE PHE 71 0.336 6.354 -4.084 504 HE2 PHE 71 1HE PHE 71 1.321 5.636 -8.169 505 HZ PHE 71 HZ PHE 71 1.837 5.379 -5.774 506 H GLY 72 H GLY 72 -3.853 5.243 -5.575 507 HA2 GLY 72 1HA GLY 72 -3.498 5.424 -3.132 508 HA3 GLY 72 2HA GLY 72 -4.585 6.805 -3.174 509 H ASN 73 H ASN 73 -6.483 5.618 -4.990 510 HA ASN 73 HA ASN 73 -7.969 4.071 -3.058 511 HB2 ASN 73 1HB ASN 73 -8.906 5.880 -4.635 512 HB3 ASN 73 2HB ASN 73 -8.842 4.639 -5.884 513 HD21 ASN 73 1HD2 ASN 73 -10.880 4.085 -6.227 514 HD22 ASN 73 2HD2 ASN 73 -12.007 3.599 -5.011 515 H LEU 74 H LEU 74 -5.661 2.731 -3.889 516 HA LEU 74 HA LEU 74 -6.595 0.669 -5.746 517 HB2 LEU 74 1HB LEU 74 -3.868 1.026 -4.515 518 HB3 LEU 74 2HB LEU 74 -4.300 -0.087 -5.811 519 HG LEU 74 HG LEU 74 -4.610 2.872 -6.170 520 HD11 LEU 74 1HD1 LEU 74 -2.124 1.388 -5.870 521 HD12 LEU 74 2HD1 LEU 74 -2.411 3.127 -5.897 522 HD13 LEU 74 3HD1 LEU 74 -2.245 2.237 -7.411 523 HD21 LEU 74 3HD2 LEU 74 -4.249 2.253 -8.528 524 HD22 LEU 74 1HD2 LEU 74 -5.647 1.443 -7.822 525 HD23 LEU 74 2HD2 LEU 74 -4.138 0.559 -8.048 526 H LYS 75 H LYS 75 -6.669 -1.511 -5.201 527 HA LYS 75 HA LYS 75 -6.689 -2.057 -2.306 528 HB2 LYS 75 1HB LYS 75 -8.231 -3.467 -4.493 529 HB3 LYS 75 2HB LYS 75 -8.330 -3.811 -2.771 530 HG2 LYS 75 1HG LYS 75 -9.211 -1.548 -2.389 531 HG3 LYS 75 2HG LYS 75 -9.160 -1.254 -4.129 532 HD2 LYS 75 1HD LYS 75 -11.337 -1.916 -3.916 533 HD3 LYS 75 2HD LYS 75 -10.577 -3.487 -4.185 534 HE2 LYS 75 1HE LYS 75 -12.129 -3.629 -2.335 535 HE3 LYS 75 2HE LYS 75 -10.479 -3.830 -1.749 536 HZ1 LYS 75 3HZ LYS 75 -10.532 -1.865 -0.645 537 HZ2 LYS 75 1HZ LYS 75 -12.185 -2.221 -0.579 538 HZ3 LYS 75 2HZ LYS 75 -11.599 -1.131 -1.733 539 HA PRO 76 HA PRO 76 -3.408 -4.934 -2.892 540 HB2 PRO 76 1HB PRO 76 -3.815 -6.498 -0.710 541 HB3 PRO 76 2HB PRO 76 -3.143 -4.866 -0.611 542 HG2 PRO 76 1HG PRO 76 -5.948 -5.793 -0.125 543 HG3 PRO 76 2HG PRO 76 -4.975 -4.638 0.804 544 HD2 PRO 76 1HD PRO 76 -6.864 -3.855 -0.971 545 HD3 PRO 76 2HD PRO 76 -5.391 -2.912 -0.667 546 H ASN 77 H ASN 77 -3.224 -6.665 -4.166 547 HA ASN 77 HA ASN 77 -5.546 -8.294 -4.728 548 HB2 ASN 77 1HB ASN 77 -3.674 -7.404 -6.370 549 HB3 ASN 77 2HB ASN 77 -2.855 -8.887 -5.887 550 HD21 ASN 77 1HD2 ASN 77 -3.054 -9.492 -8.118 551 HD22 ASN 77 2HD2 ASN 77 -4.532 -10.177 -8.694 552 H LEU 78 H LEU 78 -4.608 -8.585 -2.089 553 HA LEU 78 HA LEU 78 -2.873 -10.669 -1.574 554 HB2 LEU 78 1HB LEU 78 -3.813 -10.802 0.553 555 HB3 LEU 78 2HB LEU 78 -4.092 -9.135 0.055 556 HG LEU 78 HG LEU 78 -6.236 -11.188 -0.323 557 HD11 LEU 78 1HD1 LEU 78 -5.383 -11.306 2.036 558 HD12 LEU 78 2HD1 LEU 78 -7.077 -10.845 1.869 559 HD13 LEU 78 3HD1 LEU 78 -5.860 -9.617 2.216 560 HD21 LEU 78 3HD2 LEU 78 -6.394 -8.907 -1.315 561 HD22 LEU 78 1HD2 LEU 78 -6.357 -8.246 0.320 562 HD23 LEU 78 2HD2 LEU 78 -7.688 -9.290 -0.179 563 H HIS 79 H HIS 79 -3.719 -12.827 -0.527 564 HA HIS 79 HA HIS 79 -4.335 -14.652 -2.368 565 HB2 HIS 79 1HB HIS 79 -5.081 -14.488 0.521 566 HB3 HIS 79 2HB HIS 79 -5.730 -15.812 -0.442 567 HD2 HIS 79 2HD HIS 79 -3.290 -16.968 -2.012 568 HE1 HIS 79 1HE HIS 79 -1.063 -16.713 1.590 569 HE2 HIS 79 2HE HIS 79 -1.147 -17.663 -0.741 570 H VAL 80 H VAL 80 -5.821 -14.719 -3.909 571 HA VAL 80 HA VAL 80 -8.456 -13.537 -3.435 572 HB VAL 80 HB VAL 80 -8.776 -13.826 -5.888 573 HG11 VAL 80 1HG1 VAL 80 -6.424 -12.312 -6.168 574 HG12 VAL 80 2HG1 VAL 80 -8.066 -11.722 -5.899 575 HG13 VAL 80 3HG1 VAL 80 -7.004 -12.035 -4.526 576 HG21 VAL 80 3HG2 VAL 80 -6.525 -15.514 -5.613 577 HG22 VAL 80 1HG2 VAL 80 -7.444 -15.148 -7.073 578 HG23 VAL 80 2HG2 VAL 80 -6.047 -14.163 -6.640 579 H ALA 81 H ALA 81 -9.940 -14.869 -2.634 580 HA ALA 81 HA ALA 81 -9.807 -17.692 -2.787 581 HB1 ALA 81 3HB ALA 81 -10.966 -16.921 -0.938 582 HB2 ALA 81 1HB ALA 81 -11.886 -15.745 -1.877 583 HB3 ALA 81 2HB ALA 81 -12.266 -17.463 -2.001 584 H ASN 82 H ASN 82 -12.308 -15.536 -4.148 585 HA ASN 82 HA ASN 82 -12.209 -16.610 -6.745 586 HB2 ASN 82 1HB ASN 82 -13.172 -18.553 -5.316 587 HB3 ASN 82 2HB ASN 82 -14.645 -17.589 -5.282 588 HD21 ASN 82 1HD2 ASN 82 -12.464 -19.428 -7.260 589 HD22 ASN 82 2HD2 ASN 82 -13.499 -19.558 -8.637 590 H ILE 83 H ILE 83 -14.577 -16.215 -7.806 591 HA ILE 83 HA ILE 83 -14.943 -13.514 -8.003 592 HB ILE 83 HB ILE 83 -17.104 -15.603 -8.300 593 HG12 ILE 83 1HG1 ILE 83 -15.397 -14.397 -10.475 594 HG13 ILE 83 2HG1 ILE 83 -14.945 -15.880 -9.640 595 HG21 ILE 83 1HG2 ILE 83 -18.264 -14.024 -9.678 596 HG22 ILE 83 2HG2 ILE 83 -17.908 -13.254 -8.133 597 HG23 ILE 83 3HG2 ILE 83 -16.938 -12.869 -9.554 598 HD11 ILE 83 3HD1 ILE 83 -17.015 -15.402 -11.669 599 HD12 ILE 83 1HD1 ILE 83 -16.041 -16.836 -11.348 600 HD13 ILE 83 2HD1 ILE 83 -17.460 -16.493 -10.358 601 H VAL 84 H VAL 84 -16.051 -15.609 -5.486 602 HA VAL 84 HA VAL 84 -18.217 -14.509 -4.359 603 HB VAL 84 HB VAL 84 -17.289 -14.973 -2.124 604 HG11 VAL 84 1HG1 VAL 84 -17.669 -16.778 -4.234 605 HG12 VAL 84 2HG1 VAL 84 -16.226 -17.327 -3.379 606 HG13 VAL 84 3HG1 VAL 84 -17.743 -17.114 -2.505 607 HG21 VAL 84 3HG2 VAL 84 -14.754 -16.053 -3.056 608 HG22 VAL 84 1HG2 VAL 84 -14.868 -14.305 -3.260 609 HG23 VAL 84 2HG2 VAL 84 -15.103 -15.024 -1.667 610 H GLU 85 H GLU 85 -15.114 -12.960 -4.655 611 HA GLU 85 HA GLU 85 -15.237 -10.957 -2.774 612 HB2 GLU 85 1HB GLU 85 -13.308 -11.320 -4.245 613 HB3 GLU 85 2HB GLU 85 -14.234 -10.728 -5.617 614 HG2 GLU 85 1HG GLU 85 -14.217 -8.533 -4.838 615 HG3 GLU 85 2HG GLU 85 -13.784 -9.021 -3.200 Start of MODEL 3 1 H1 GLY 1 H GLY 1 34.620 10.985 -0.505 2 HA2 GLY 1 1HA GLY 1 31.783 10.873 -0.087 3 HA3 GLY 1 2HA GLY 1 32.203 11.621 -1.620 4 H SER 2 H SER 2 30.755 9.519 -1.983 5 HA SER 2 HA SER 2 32.506 7.643 -3.260 6 HB2 SER 2 1HB SER 2 30.948 6.818 -0.812 7 HB3 SER 2 2HB SER 2 31.453 5.653 -2.037 8 HG SER 2 HG SER 2 32.899 6.089 -0.140 9 H SER 3 H SER 3 31.334 6.068 -4.557 10 HA SER 3 HA SER 3 28.488 6.247 -4.813 11 HB2 SER 3 1HB SER 3 30.266 7.710 -6.740 12 HB3 SER 3 2HB SER 3 28.743 7.017 -7.297 13 HG SER 3 HG SER 3 27.989 8.224 -5.220 14 H GLY 4 H GLY 4 27.750 5.007 -6.831 15 HA2 GLY 4 1HA GLY 4 29.044 3.380 -8.473 16 HA3 GLY 4 2HA GLY 4 29.344 2.565 -6.946 17 H SER 5 H SER 5 28.047 1.229 -8.931 18 HA SER 5 HA SER 5 25.671 0.403 -7.655 19 HB2 SER 5 1HB SER 5 24.880 2.564 -8.677 20 HB3 SER 5 2HB SER 5 25.200 1.862 -10.263 21 HG SER 5 HG SER 5 23.017 1.619 -8.853 22 H SER 6 H SER 6 24.760 -1.460 -8.608 23 HA SER 6 HA SER 6 25.947 -2.473 -11.065 24 HB2 SER 6 1HB SER 6 26.406 -3.669 -8.350 25 HB3 SER 6 2HB SER 6 26.360 -4.707 -9.775 26 HG SER 6 HG SER 6 28.125 -3.699 -10.580 27 H GLY 7 H GLY 7 24.974 -4.691 -11.596 28 HA2 GLY 7 1HA GLY 7 22.251 -4.965 -10.526 29 HA3 GLY 7 2HA GLY 7 22.461 -4.751 -12.257 30 H MET 8 H MET 8 21.193 -6.890 -11.960 31 HA MET 8 HA MET 8 23.132 -9.036 -12.327 32 HB2 MET 8 1HB MET 8 22.012 -10.562 -10.832 33 HB3 MET 8 2HB MET 8 22.457 -9.115 -9.936 34 HG2 MET 8 1HG MET 8 20.060 -8.329 -10.447 35 HG3 MET 8 2HG MET 8 19.752 -10.023 -10.822 36 HE1 MET 8 3HE MET 8 18.938 -11.662 -9.052 37 HE2 MET 8 1HE MET 8 18.388 -10.962 -7.530 38 HE3 MET 8 2HE MET 8 17.905 -10.232 -9.061 39 H ALA 9 H ALA 9 22.141 -10.979 -13.298 40 HA ALA 9 HA ALA 9 19.713 -10.320 -14.834 41 HB1 ALA 9 3HB ALA 9 21.678 -10.170 -16.268 42 HB2 ALA 9 1HB ALA 9 22.136 -11.815 -15.829 43 HB3 ALA 9 2HB ALA 9 20.655 -11.525 -16.742 44 H SER 10 H SER 10 18.372 -12.091 -15.436 45 HA SER 10 HA SER 10 18.920 -14.710 -14.332 46 HB2 SER 10 1HB SER 10 17.870 -13.221 -12.492 47 HB3 SER 10 2HB SER 10 16.381 -13.369 -13.426 48 HG SER 10 HG SER 10 17.926 -15.521 -12.401 49 H SER 11 H SER 11 17.679 -16.335 -15.248 50 HA SER 11 HA SER 11 15.415 -15.748 -16.916 51 HB2 SER 11 1HB SER 11 18.091 -16.391 -18.137 52 HB3 SER 11 2HB SER 11 16.589 -16.801 -18.963 53 HG SER 11 HG SER 11 16.192 -14.378 -18.314 54 H VAL 12 H VAL 12 14.289 -17.607 -17.565 55 HA VAL 12 HA VAL 12 15.270 -20.240 -17.285 56 HB VAL 12 HB VAL 12 15.197 -19.744 -14.891 57 HG11 VAL 12 1HG1 VAL 12 12.533 -19.649 -14.204 58 HG12 VAL 12 2HG1 VAL 12 13.651 -18.282 -14.211 59 HG13 VAL 12 3HG1 VAL 12 12.623 -18.591 -15.612 60 HG21 VAL 12 3HG2 VAL 12 14.691 -22.018 -15.693 61 HG22 VAL 12 1HG2 VAL 12 13.858 -21.638 -14.185 62 HG23 VAL 12 2HG2 VAL 12 12.975 -21.613 -15.712 63 H LEU 13 H LEU 13 13.875 -21.726 -18.154 64 HA LEU 13 HA LEU 13 11.853 -20.865 -19.850 65 HB2 LEU 13 1HB LEU 13 11.228 -23.221 -20.050 66 HB3 LEU 13 2HB LEU 13 12.972 -22.987 -20.141 67 HG LEU 13 HG LEU 13 11.781 -23.715 -17.512 68 HD11 LEU 13 1HD1 LEU 13 11.177 -25.218 -19.768 69 HD12 LEU 13 2HD1 LEU 13 11.081 -25.742 -18.088 70 HD13 LEU 13 3HD1 LEU 13 12.541 -26.053 -19.026 71 HD21 LEU 13 3HD2 LEU 13 14.377 -24.028 -18.950 72 HD22 LEU 13 1HD2 LEU 13 13.964 -25.143 -17.648 73 HD23 LEU 13 2HD2 LEU 13 14.055 -23.411 -17.330 74 H GLU 14 H GLU 14 9.808 -20.278 -19.551 75 HA GLU 14 HA GLU 14 8.245 -21.390 -17.374 76 HB2 GLU 14 1HB GLU 14 9.075 -18.512 -17.516 77 HB3 GLU 14 2HB GLU 14 7.522 -18.943 -16.813 78 HG2 GLU 14 1HG GLU 14 10.121 -20.139 -15.899 79 HG3 GLU 14 2HG GLU 14 9.432 -18.674 -15.202 80 H MET 15 H MET 15 6.014 -21.212 -17.677 81 HA MET 15 HA MET 15 5.017 -21.354 -20.215 82 HB2 MET 15 1HB MET 15 3.545 -20.312 -17.788 83 HB3 MET 15 2HB MET 15 2.795 -20.934 -19.252 84 HG2 MET 15 1HG MET 15 3.417 -23.121 -18.795 85 HG3 MET 15 2HG MET 15 4.679 -22.629 -17.668 86 HE1 MET 15 3HE MET 15 3.128 -23.144 -14.401 87 HE2 MET 15 1HE MET 15 4.423 -23.539 -15.532 88 HE3 MET 15 2HE MET 15 4.141 -21.861 -15.067 89 H ILE 16 H ILE 16 4.370 -19.977 -21.775 90 HA ILE 16 HA ILE 16 5.177 -17.243 -21.618 91 HB ILE 16 HB ILE 16 3.521 -18.607 -23.744 92 HG12 ILE 16 1HG1 ILE 16 5.773 -19.625 -23.331 93 HG13 ILE 16 2HG1 ILE 16 5.579 -18.951 -24.945 94 HG21 ILE 16 1HG2 ILE 16 4.966 -15.969 -23.675 95 HG22 ILE 16 2HG2 ILE 16 4.441 -16.744 -25.169 96 HG23 ILE 16 3HG2 ILE 16 3.251 -16.262 -23.961 97 HD11 ILE 16 3HD1 ILE 16 7.084 -17.288 -24.579 98 HD12 ILE 16 1HD1 ILE 16 6.762 -17.222 -22.847 99 HD13 ILE 16 2HD1 ILE 16 7.744 -18.528 -23.512 100 H LYS 17 H LYS 17 4.050 -15.934 -20.304 101 HA LYS 17 HA LYS 17 1.160 -15.700 -20.792 102 HB2 LYS 17 1HB LYS 17 2.528 -15.620 -18.096 103 HB3 LYS 17 2HB LYS 17 0.834 -15.241 -18.376 104 HG2 LYS 17 1HG LYS 17 2.135 -17.904 -18.907 105 HG3 LYS 17 2HG LYS 17 1.144 -17.504 -17.503 106 HD2 LYS 17 1HD LYS 17 -0.732 -16.986 -19.057 107 HD3 LYS 17 2HD LYS 17 0.269 -17.568 -20.389 108 HE2 LYS 17 1HE LYS 17 -0.173 -19.313 -18.007 109 HE3 LYS 17 2HE LYS 17 -1.447 -19.160 -19.216 110 HZ1 LYS 17 3HZ LYS 17 -0.346 -20.486 -20.592 111 HZ2 LYS 17 1HZ LYS 17 0.715 -20.842 -19.323 112 HZ3 LYS 17 2HZ LYS 17 1.093 -19.613 -20.422 113 H GLU 18 H GLU 18 1.028 -13.809 -21.839 114 HA GLU 18 HA GLU 18 2.422 -11.492 -20.664 115 HB2 GLU 18 1HB GLU 18 2.354 -10.496 -22.950 116 HB3 GLU 18 2HB GLU 18 3.349 -11.940 -22.834 117 HG2 GLU 18 1HG GLU 18 0.502 -12.088 -23.745 118 HG3 GLU 18 2HG GLU 18 1.804 -11.676 -24.859 119 H GLU 19 H GLU 19 -0.031 -12.265 -19.661 120 HA GLU 19 HA GLU 19 -1.733 -10.051 -20.574 121 HB2 GLU 19 1HB GLU 19 -2.697 -12.830 -19.872 122 HB3 GLU 19 2HB GLU 19 -3.732 -11.454 -20.231 123 HG2 GLU 19 1HG GLU 19 -3.731 -12.474 -22.258 124 HG3 GLU 19 2HG GLU 19 -2.335 -11.416 -22.461 125 H VAL 20 H VAL 20 -1.191 -12.444 -18.000 126 HA VAL 20 HA VAL 20 -2.438 -10.704 -16.036 127 HB VAL 20 HB VAL 20 -2.025 -12.504 -14.437 128 HG11 VAL 20 1HG1 VAL 20 -3.038 -13.994 -16.792 129 HG12 VAL 20 2HG1 VAL 20 -3.728 -13.819 -15.177 130 HG13 VAL 20 3HG1 VAL 20 -3.876 -12.507 -16.347 131 HG21 VAL 20 3HG2 VAL 20 0.138 -13.252 -15.332 132 HG22 VAL 20 1HG2 VAL 20 -0.986 -14.594 -15.117 133 HG23 VAL 20 2HG2 VAL 20 -0.689 -13.943 -16.729 134 H THR 21 H THR 21 0.768 -11.923 -16.860 135 HA THR 21 HA THR 21 2.204 -11.033 -14.657 136 HB THR 21 HB THR 21 3.232 -10.986 -17.497 137 HG1 THR 21 1HG THR 21 3.611 -13.159 -17.273 138 HG21 THR 21 3HG2 THR 21 4.751 -9.982 -15.903 139 HG22 THR 21 1HG2 THR 21 5.379 -11.553 -16.397 140 HG23 THR 21 2HG2 THR 21 4.592 -11.371 -14.829 141 H CYS 22 H CYS 22 3.549 -9.173 -14.354 142 HA CYS 22 HA CYS 22 2.274 -6.734 -14.688 143 HB2 CYS 22 1HB CYS 22 4.185 -7.347 -13.097 144 HB3 CYS 22 2HB CYS 22 5.267 -7.000 -14.442 145 HA PRO 23 HA PRO 23 3.048 -6.061 -19.035 146 HB2 PRO 23 1HB PRO 23 1.704 -3.707 -19.174 147 HB3 PRO 23 2HB PRO 23 0.892 -5.276 -19.145 148 HG2 PRO 23 1HG PRO 23 1.344 -3.336 -16.911 149 HG3 PRO 23 2HG PRO 23 -0.113 -4.266 -17.307 150 HD2 PRO 23 1HD PRO 23 1.602 -5.009 -15.347 151 HD3 PRO 23 2HD PRO 23 0.691 -6.186 -16.315 152 H ILE 24 H ILE 24 4.489 -4.688 -16.449 153 HA ILE 24 HA ILE 24 5.850 -2.623 -18.049 154 HB ILE 24 HB ILE 24 5.603 -2.844 -15.048 155 HG12 ILE 24 1HG1 ILE 24 4.609 -0.569 -16.734 156 HG13 ILE 24 2HG1 ILE 24 3.636 -2.026 -16.560 157 HG21 ILE 24 1HG2 ILE 24 7.217 -1.320 -14.794 158 HG22 ILE 24 2HG2 ILE 24 7.693 -1.740 -16.438 159 HG23 ILE 24 3HG2 ILE 24 6.640 -0.354 -16.151 160 HD11 ILE 24 3HD1 ILE 24 2.786 -1.020 -14.769 161 HD12 ILE 24 1HD1 ILE 24 4.298 -1.450 -13.972 162 HD13 ILE 24 2HD1 ILE 24 4.102 0.150 -14.688 163 H CYS 25 H CYS 25 6.607 -4.694 -15.242 164 HA CYS 25 HA CYS 25 9.366 -4.895 -16.124 165 HB2 CYS 25 1HB CYS 25 9.749 -6.048 -14.002 166 HB3 CYS 25 2HB CYS 25 8.873 -4.544 -13.739 167 H LEU 26 H LEU 26 6.464 -6.693 -16.350 168 HA LEU 26 HA LEU 26 5.947 -8.709 -17.263 169 HB2 LEU 26 1HB LEU 26 8.747 -8.526 -18.365 170 HB3 LEU 26 2HB LEU 26 7.508 -9.657 -18.902 171 HG LEU 26 HG LEU 26 7.235 -6.664 -19.121 172 HD11 LEU 26 1HD1 LEU 26 7.973 -8.539 -21.350 173 HD12 LEU 26 2HD1 LEU 26 9.177 -7.655 -20.414 174 HD13 LEU 26 3HD1 LEU 26 7.972 -6.775 -21.353 175 HD21 LEU 26 3HD2 LEU 26 5.224 -8.306 -19.138 176 HD22 LEU 26 1HD2 LEU 26 5.801 -8.718 -20.753 177 HD23 LEU 26 2HD2 LEU 26 5.336 -7.058 -20.380 178 H GLU 27 H GLU 27 6.637 -8.850 -14.649 179 HA GLU 27 HA GLU 27 7.824 -11.511 -14.500 180 HB2 GLU 27 1HB GLU 27 8.902 -9.058 -13.181 181 HB3 GLU 27 2HB GLU 27 8.985 -10.585 -12.313 182 HG2 GLU 27 1HG GLU 27 10.115 -11.537 -14.364 183 HG3 GLU 27 2HG GLU 27 10.251 -9.877 -14.940 184 H LEU 28 H LEU 28 7.396 -12.579 -12.424 185 HA LEU 28 HA LEU 28 4.792 -12.673 -11.694 186 HB2 LEU 28 1HB LEU 28 7.312 -13.314 -10.257 187 HB3 LEU 28 2HB LEU 28 5.810 -13.330 -9.334 188 HG LEU 28 HG LEU 28 6.514 -15.561 -10.167 189 HD11 LEU 28 1HD1 LEU 28 4.239 -15.368 -9.637 190 HD12 LEU 28 2HD1 LEU 28 4.267 -16.084 -11.247 191 HD13 LEU 28 3HD1 LEU 28 3.904 -14.370 -11.052 192 HD21 LEU 28 3HD2 LEU 28 7.520 -14.991 -12.261 193 HD22 LEU 28 1HD2 LEU 28 6.015 -14.284 -12.850 194 HD23 LEU 28 2HD2 LEU 28 6.127 -16.024 -12.587 195 H LEU 29 H LEU 29 3.466 -11.115 -11.054 196 HA LEU 29 HA LEU 29 4.231 -8.663 -9.955 197 HB2 LEU 29 1HB LEU 29 1.576 -10.077 -9.754 198 HB3 LEU 29 2HB LEU 29 1.852 -8.371 -9.407 199 HG LEU 29 HG LEU 29 2.597 -9.348 -12.108 200 HD11 LEU 29 1HD1 LEU 29 0.232 -8.991 -12.850 201 HD12 LEU 29 2HD1 LEU 29 -0.241 -9.046 -11.153 202 HD13 LEU 29 3HD1 LEU 29 0.503 -10.456 -11.906 203 HD21 LEU 29 3HD2 LEU 29 2.231 -7.170 -12.728 204 HD22 LEU 29 1HD2 LEU 29 2.719 -6.951 -11.048 205 HD23 LEU 29 2HD2 LEU 29 1.010 -6.903 -11.483 206 H LYS 30 H LYS 30 4.879 -8.106 -7.990 207 HA LYS 30 HA LYS 30 4.479 -10.000 -5.785 208 HB2 LYS 30 1HB LYS 30 6.443 -7.745 -6.190 209 HB3 LYS 30 2HB LYS 30 6.256 -8.585 -4.656 210 HG2 LYS 30 1HG LYS 30 6.956 -10.657 -5.634 211 HG3 LYS 30 2HG LYS 30 6.968 -9.940 -7.248 212 HD2 LYS 30 1HD LYS 30 8.658 -8.792 -5.057 213 HD3 LYS 30 2HD LYS 30 9.204 -10.204 -5.965 214 HE2 LYS 30 1HE LYS 30 8.891 -8.914 -8.059 215 HE3 LYS 30 2HE LYS 30 8.477 -7.501 -7.090 216 HZ1 LYS 30 3HZ LYS 30 11.079 -8.843 -7.388 217 HZ2 LYS 30 1HZ LYS 30 10.747 -7.961 -5.983 218 HZ3 LYS 30 2HZ LYS 30 10.707 -7.196 -7.491 219 H GLU 31 H GLU 31 2.821 -9.593 -4.489 220 HA GLU 31 HA GLU 31 1.094 -8.459 -3.486 221 HB2 GLU 31 1HB GLU 31 3.625 -7.088 -2.673 222 HB3 GLU 31 2HB GLU 31 2.087 -6.434 -2.129 223 HG2 GLU 31 1HG GLU 31 1.568 -8.360 -0.906 224 HG3 GLU 31 2HG GLU 31 2.800 -9.316 -1.728 225 HA PRO 32 HA PRO 32 1.067 -5.101 -6.822 226 HB2 PRO 32 1HB PRO 32 -0.778 -6.259 -8.442 227 HB3 PRO 32 2HB PRO 32 0.958 -6.542 -8.608 228 HG2 PRO 32 1HG PRO 32 -1.120 -8.239 -7.280 229 HG3 PRO 32 2HG PRO 32 0.214 -8.729 -8.341 230 HD2 PRO 32 1HD PRO 32 0.337 -8.959 -5.646 231 HD3 PRO 32 2HD PRO 32 1.769 -8.629 -6.642 232 H VAL 33 H VAL 33 -0.857 -3.827 -7.482 233 HA VAL 33 HA VAL 33 -3.119 -4.164 -5.626 234 HB VAL 33 HB VAL 33 -3.260 -1.735 -5.361 235 HG11 VAL 33 1HG1 VAL 33 -0.461 -2.605 -4.684 236 HG12 VAL 33 2HG1 VAL 33 -1.501 -1.484 -3.803 237 HG13 VAL 33 3HG1 VAL 33 -1.882 -3.206 -3.830 238 HG21 VAL 33 3HG2 VAL 33 -2.349 -0.837 -7.320 239 HG22 VAL 33 1HG2 VAL 33 -1.176 -0.419 -6.070 240 HG23 VAL 33 2HG2 VAL 33 -0.859 -1.767 -7.162 241 H SER 34 H SER 34 -5.042 -4.190 -6.585 242 HA SER 34 HA SER 34 -5.298 -3.947 -9.399 243 HB2 SER 34 1HB SER 34 -7.279 -4.269 -7.153 244 HB3 SER 34 2HB SER 34 -7.811 -4.061 -8.821 245 HG SER 34 HG SER 34 -7.414 -6.299 -7.925 246 H ALA 35 H ALA 35 -6.802 -2.490 -10.513 247 HA ALA 35 HA ALA 35 -7.088 0.132 -9.218 248 HB1 ALA 35 3HB ALA 35 -6.162 1.307 -11.025 249 HB2 ALA 35 1HB ALA 35 -5.044 -0.026 -10.733 250 HB3 ALA 35 2HB ALA 35 -6.189 -0.112 -12.073 251 H ASP 36 H ASP 36 -8.528 1.601 -10.559 252 HA ASP 36 HA ASP 36 -11.060 0.575 -10.790 253 HB2 ASP 36 1HB ASP 36 -10.963 2.901 -10.747 254 HB3 ASP 36 2HB ASP 36 -9.733 2.973 -12.006 255 H CYS 37 H CYS 37 -8.530 0.669 -13.224 256 HA CYS 37 HA CYS 37 -10.295 -0.400 -15.271 257 HB2 CYS 37 1HB CYS 37 -8.201 -0.351 -16.674 258 HB3 CYS 37 2HB CYS 37 -8.712 1.213 -16.049 259 H ASN 38 H ASN 38 -9.998 -2.050 -13.002 260 HA ASN 38 HA ASN 38 -9.240 -4.111 -12.287 261 HB2 ASN 38 1HB ASN 38 -11.115 -4.488 -13.936 262 HB3 ASN 38 2HB ASN 38 -9.886 -4.815 -15.154 263 HD21 ASN 38 1HD2 ASN 38 -11.015 -6.885 -15.265 264 HD22 ASN 38 2HD2 ASN 38 -10.564 -8.136 -14.162 265 H HIS 39 H HIS 39 -7.051 -2.521 -13.083 266 HA HIS 39 HA HIS 39 -5.271 -4.564 -14.241 267 HB2 HIS 39 1HB HIS 39 -5.163 -1.559 -14.543 268 HB3 HIS 39 2HB HIS 39 -3.854 -2.635 -15.023 269 HD2 HIS 39 2HD HIS 39 -6.454 -4.739 -16.231 270 HE1 HIS 39 1HE HIS 39 -6.366 -1.703 -19.193 271 HE2 HIS 39 2HE HIS 39 -7.221 -3.993 -18.586 272 H SER 40 H SER 40 -3.805 -5.309 -12.869 273 HA SER 40 HA SER 40 -3.068 -3.639 -10.558 274 HB2 SER 40 1HB SER 40 -2.400 -5.874 -9.522 275 HB3 SER 40 2HB SER 40 -4.129 -5.609 -9.753 276 HG SER 40 HG SER 40 -2.709 -7.616 -10.643 277 H PHE 41 H PHE 41 -0.889 -3.616 -9.865 278 HA PHE 41 HA PHE 41 1.119 -4.797 -11.608 279 HB2 PHE 41 1HB PHE 41 1.295 -1.848 -11.042 280 HB3 PHE 41 2HB PHE 41 2.168 -2.792 -12.245 281 HD1 PHE 41 1HD PHE 41 -1.124 -1.365 -11.381 282 HD2 PHE 41 2HD PHE 41 1.296 -3.123 -14.409 283 HE1 PHE 41 1HE PHE 41 -2.798 -0.745 -13.075 284 HE2 PHE 41 2HE PHE 41 -0.373 -2.505 -16.107 285 HZ PHE 41 HZ PHE 41 -2.423 -1.314 -15.441 286 H CYS 42 H CYS 42 3.239 -4.809 -10.697 287 HA CYS 42 HA CYS 42 3.491 -5.526 -8.105 288 HB2 CYS 42 1HB CYS 42 5.598 -3.921 -9.563 289 HB3 CYS 42 2HB CYS 42 5.860 -5.077 -8.262 290 H ARG 43 H ARG 43 3.376 -4.600 -6.165 291 HA ARG 43 HA ARG 43 2.325 -2.233 -5.527 292 HB2 ARG 43 1HB ARG 43 2.907 -3.840 -3.817 293 HB3 ARG 43 2HB ARG 43 4.623 -3.573 -4.095 294 HG2 ARG 43 1HG ARG 43 4.346 -2.285 -2.249 295 HG3 ARG 43 2HG ARG 43 3.962 -1.085 -3.485 296 HD2 ARG 43 1HD ARG 43 1.571 -1.599 -3.208 297 HD3 ARG 43 2HD ARG 43 1.980 -2.752 -1.938 298 HE ARG 43 HE ARG 43 2.930 -0.053 -1.511 299 HH11 ARG 43 1HH1 ARG 43 0.389 -2.369 -0.967 300 HH12 ARG 43 2HH1 ARG 43 -0.244 -1.544 0.419 301 HH21 ARG 43 1HH2 ARG 43 2.106 1.042 0.312 302 HH22 ARG 43 2HH2 ARG 43 0.733 0.396 1.145 303 H ALA 44 H ALA 44 5.781 -2.720 -6.175 304 HA ALA 44 HA ALA 44 6.476 0.019 -5.787 305 HB1 ALA 44 3HB ALA 44 8.362 -1.194 -5.529 306 HB2 ALA 44 1HB ALA 44 7.851 -2.434 -6.674 307 HB3 ALA 44 2HB ALA 44 8.522 -0.913 -7.262 308 H CYS 45 H CYS 45 6.505 -1.952 -8.766 309 HA CYS 45 HA CYS 45 6.955 -0.177 -10.695 310 HB2 CYS 45 1HB CYS 45 4.826 -2.307 -10.614 311 HB3 CYS 45 2HB CYS 45 5.129 -1.359 -12.067 312 H ILE 46 H ILE 46 3.571 -0.743 -9.717 313 HA ILE 46 HA ILE 46 2.380 1.363 -10.972 314 HB ILE 46 HB ILE 46 1.153 -0.351 -9.689 315 HG12 ILE 46 1HG1 ILE 46 0.267 2.244 -8.509 316 HG13 ILE 46 2HG1 ILE 46 0.334 2.110 -10.263 317 HG21 ILE 46 1HG2 ILE 46 1.950 1.244 -7.258 318 HG22 ILE 46 2HG2 ILE 46 0.901 -0.173 -7.291 319 HG23 ILE 46 3HG2 ILE 46 2.610 -0.331 -7.699 320 HD11 ILE 46 3HD1 ILE 46 -1.413 0.685 -8.319 321 HD12 ILE 46 1HD1 ILE 46 -1.834 1.511 -9.819 322 HD13 ILE 46 2HD1 ILE 46 -1.038 -0.063 -9.871 323 H THR 47 H THR 47 3.993 1.428 -7.818 324 HA THR 47 HA THR 47 3.390 4.098 -7.170 325 HB THR 47 HB THR 47 5.744 2.402 -6.318 326 HG1 THR 47 1HG THR 47 4.052 1.459 -5.382 327 HG21 THR 47 3HG2 THR 47 6.561 4.171 -5.243 328 HG22 THR 47 1HG2 THR 47 5.027 4.388 -4.402 329 HG23 THR 47 2HG2 THR 47 5.301 5.179 -5.955 330 H LEU 48 H LEU 48 6.449 2.742 -8.419 331 HA LEU 48 HA LEU 48 7.700 5.202 -8.885 332 HB2 LEU 48 1HB LEU 48 8.088 2.427 -9.907 333 HB3 LEU 48 2HB LEU 48 8.978 3.751 -10.656 334 HG LEU 48 HG LEU 48 10.314 2.587 -8.969 335 HD11 LEU 48 1HD1 LEU 48 11.065 4.531 -7.751 336 HD12 LEU 48 2HD1 LEU 48 9.549 5.366 -8.088 337 HD13 LEU 48 3HD1 LEU 48 10.659 4.988 -9.405 338 HD21 LEU 48 3HD2 LEU 48 8.094 2.204 -7.569 339 HD22 LEU 48 1HD2 LEU 48 8.650 3.671 -6.764 340 HD23 LEU 48 2HD2 LEU 48 9.685 2.244 -6.808 341 H ASN 49 H ASN 49 6.326 3.009 -11.346 342 HA ASN 49 HA ASN 49 6.481 4.499 -13.577 343 HB2 ASN 49 1HB ASN 49 5.225 2.230 -13.065 344 HB3 ASN 49 2HB ASN 49 3.809 3.276 -13.023 345 HD21 ASN 49 1HD2 ASN 49 2.877 3.810 -14.879 346 HD22 ASN 49 2HD2 ASN 49 3.537 3.521 -16.450 347 H TYR 50 H TYR 50 3.938 4.858 -11.121 348 HA TYR 50 HA TYR 50 2.468 6.875 -12.349 349 HB2 TYR 50 1HB TYR 50 1.422 5.963 -10.490 350 HB3 TYR 50 2HB TYR 50 2.876 6.044 -9.502 351 HD1 TYR 50 2HD TYR 50 0.564 8.386 -11.283 352 HD2 TYR 50 1HD TYR 50 2.897 7.608 -7.811 353 HE1 TYR 50 2HE TYR 50 -0.245 10.480 -10.277 354 HE2 TYR 50 1HE TYR 50 2.094 9.699 -6.795 355 HH TYR 50 HH TYR 50 1.110 11.755 -7.348 356 H GLU 51 H GLU 51 4.904 7.301 -9.773 357 HA GLU 51 HA GLU 51 5.058 10.023 -9.709 358 HB2 GLU 51 1HB GLU 51 7.184 7.926 -9.370 359 HB3 GLU 51 2HB GLU 51 7.565 9.634 -9.203 360 HG2 GLU 51 1HG GLU 51 5.295 8.479 -7.656 361 HG3 GLU 51 2HG GLU 51 6.951 8.205 -7.116 362 H SER 52 H SER 52 6.862 7.885 -11.903 363 HA SER 52 HA SER 52 8.306 9.847 -13.256 364 HB2 SER 52 1HB SER 52 7.422 7.070 -13.907 365 HB3 SER 52 2HB SER 52 8.075 8.064 -15.210 366 HG SER 52 HG SER 52 9.965 8.323 -14.003 367 H ASN 53 H ASN 53 5.272 8.284 -14.298 368 HA ASN 53 HA ASN 53 4.752 10.635 -15.993 369 HB2 ASN 53 1HB ASN 53 3.083 8.980 -17.105 370 HB3 ASN 53 2HB ASN 53 4.802 8.814 -17.450 371 HD21 ASN 53 1HD2 ASN 53 5.958 7.107 -16.519 372 HD22 ASN 53 2HD2 ASN 53 5.159 5.708 -15.894 373 H ARG 54 H ARG 54 3.500 12.003 -14.878 374 HA ARG 54 HA ARG 54 0.893 11.075 -13.999 375 HB2 ARG 54 1HB ARG 54 1.072 12.035 -11.774 376 HB3 ARG 54 2HB ARG 54 2.318 10.816 -12.002 377 HG2 ARG 54 1HG ARG 54 3.571 12.438 -11.035 378 HG3 ARG 54 2HG ARG 54 3.737 12.932 -12.722 379 HD2 ARG 54 1HD ARG 54 1.664 14.381 -12.294 380 HD3 ARG 54 2HD ARG 54 1.985 14.099 -10.583 381 HE ARG 54 HE ARG 54 3.516 15.752 -12.398 382 HH11 ARG 54 1HH1 ARG 54 3.428 14.087 -9.342 383 HH12 ARG 54 2HH1 ARG 54 4.673 15.058 -8.629 384 HH21 ARG 54 1HH2 ARG 54 5.156 17.038 -11.471 385 HH22 ARG 54 2HH2 ARG 54 5.654 16.737 -9.840 386 H ASN 55 H ASN 55 -0.627 12.793 -13.678 387 HA ASN 55 HA ASN 55 -0.111 15.040 -15.411 388 HB2 ASN 55 1HB ASN 55 -2.546 14.159 -13.857 389 HB3 ASN 55 2HB ASN 55 -2.509 15.626 -14.831 390 HD21 ASN 55 1HD2 ASN 55 -2.373 12.143 -14.889 391 HD22 ASN 55 2HD2 ASN 55 -2.743 11.961 -16.567 392 H THR 56 H THR 56 0.015 17.182 -14.853 393 HA THR 56 HA THR 56 1.299 18.001 -12.614 394 HB THR 56 HB THR 56 0.317 20.277 -12.975 395 HG1 THR 56 1HG THR 56 -1.063 20.428 -14.881 396 HG21 THR 56 3HG2 THR 56 2.238 19.931 -14.230 397 HG22 THR 56 1HG2 THR 56 1.058 20.358 -15.469 398 HG23 THR 56 2HG2 THR 56 1.495 18.668 -15.210 399 H ASP 57 H ASP 57 -2.231 17.922 -13.024 400 HA ASP 57 HA ASP 57 -2.968 18.979 -10.566 401 HB2 ASP 57 1HB ASP 57 -4.276 17.057 -12.458 402 HB3 ASP 57 2HB ASP 57 -5.022 17.385 -10.897 403 H GLY 58 H GLY 58 -2.301 15.598 -11.433 404 HA2 GLY 58 1HA GLY 58 -0.991 14.674 -9.321 405 HA3 GLY 58 2HA GLY 58 -2.609 14.791 -8.646 406 H LYS 59 H LYS 59 -4.140 13.993 -10.811 407 HA LYS 59 HA LYS 59 -4.228 11.259 -10.569 408 HB2 LYS 59 1HB LYS 59 -5.118 13.031 -12.843 409 HB3 LYS 59 2HB LYS 59 -5.473 11.309 -12.785 410 HG2 LYS 59 1HG LYS 59 -6.229 13.115 -10.521 411 HG3 LYS 59 2HG LYS 59 -7.250 12.961 -11.952 412 HD2 LYS 59 1HD LYS 59 -7.236 10.480 -11.581 413 HD3 LYS 59 2HD LYS 59 -6.422 10.779 -10.044 414 HE2 LYS 59 1HE LYS 59 -8.672 10.618 -9.458 415 HE3 LYS 59 2HE LYS 59 -8.386 12.355 -9.542 416 HZ1 LYS 59 3HZ LYS 59 -10.304 12.172 -10.740 417 HZ2 LYS 59 1HZ LYS 59 -9.931 10.637 -11.346 418 HZ3 LYS 59 2HZ LYS 59 -9.177 12.007 -11.991 419 H GLY 60 H GLY 60 -3.163 9.562 -11.402 420 HA2 GLY 60 1HA GLY 60 -0.903 10.124 -13.168 421 HA3 GLY 60 2HA GLY 60 -1.168 8.644 -12.259 422 H ASN 61 H ASN 61 -0.445 7.908 -14.525 423 HA ASN 61 HA ASN 61 -2.878 7.377 -16.091 424 HB2 ASN 61 1HB ASN 61 -1.271 7.321 -18.112 425 HB3 ASN 61 2HB ASN 61 -1.753 8.894 -17.482 426 HD21 ASN 61 1HD2 ASN 61 -0.253 10.204 -16.532 427 HD22 ASN 61 2HD2 ASN 61 1.441 9.866 -16.539 428 H CYS 62 H CYS 62 -3.174 5.307 -16.749 429 HA CYS 62 HA CYS 62 -1.557 3.278 -15.531 430 HB2 CYS 62 1HB CYS 62 -4.018 3.074 -15.767 431 HB3 CYS 62 2HB CYS 62 -3.823 2.985 -17.514 432 HA PRO 63 HA PRO 63 1.302 2.768 -18.869 433 HB2 PRO 63 1HB PRO 63 2.379 0.417 -18.040 434 HB3 PRO 63 2HB PRO 63 2.759 1.968 -17.282 435 HG2 PRO 63 1HG PRO 63 0.838 -0.152 -16.399 436 HG3 PRO 63 2HG PRO 63 1.988 0.790 -15.431 437 HD2 PRO 63 1HD PRO 63 -0.652 1.383 -15.543 438 HD3 PRO 63 2HD PRO 63 0.598 2.627 -15.339 439 H VAL 64 H VAL 64 -1.548 1.257 -18.569 440 HA VAL 64 HA VAL 64 -1.014 -0.565 -20.825 441 HB VAL 64 HB VAL 64 -3.058 -0.919 -18.628 442 HG11 VAL 64 1HG1 VAL 64 -3.650 -1.646 -21.029 443 HG12 VAL 64 2HG1 VAL 64 -2.453 -2.918 -20.777 444 HG13 VAL 64 3HG1 VAL 64 -3.862 -2.809 -19.721 445 HG21 VAL 64 3HG2 VAL 64 -0.752 -2.731 -19.288 446 HG22 VAL 64 1HG2 VAL 64 -0.612 -1.411 -18.128 447 HG23 VAL 64 2HG2 VAL 64 -1.760 -2.718 -17.841 448 H CYS 65 H CYS 65 -3.826 0.948 -19.228 449 HA CYS 65 HA CYS 65 -4.934 1.524 -21.882 450 HB2 CYS 65 1HB CYS 65 -7.072 1.866 -20.700 451 HB3 CYS 65 2HB CYS 65 -6.398 0.269 -20.387 452 H ARG 66 H ARG 66 -3.216 3.015 -19.451 453 HA ARG 66 HA ARG 66 -2.752 5.175 -18.902 454 HB2 ARG 66 1HB ARG 66 -3.768 5.659 -21.709 455 HB3 ARG 66 2HB ARG 66 -2.844 6.809 -20.752 456 HG2 ARG 66 1HG ARG 66 -1.264 5.856 -22.160 457 HG3 ARG 66 2HG ARG 66 -1.051 4.983 -20.641 458 HD2 ARG 66 1HD ARG 66 -1.963 3.045 -21.469 459 HD3 ARG 66 2HD ARG 66 -2.937 3.891 -22.670 460 HE ARG 66 HE ARG 66 -0.239 2.946 -22.978 461 HH11 ARG 66 1HH1 ARG 66 -2.626 5.219 -24.098 462 HH12 ARG 66 2HH1 ARG 66 -1.897 5.416 -25.657 463 HH21 ARG 66 1HH2 ARG 66 0.730 3.196 -25.028 464 HH22 ARG 66 2HH2 ARG 66 0.011 4.264 -26.185 465 H VAL 67 H VAL 67 -4.960 4.508 -17.664 466 HA VAL 67 HA VAL 67 -6.941 6.614 -18.216 467 HB VAL 67 HB VAL 67 -7.677 4.174 -18.138 468 HG11 VAL 67 1HG1 VAL 67 -6.246 4.040 -15.859 469 HG12 VAL 67 2HG1 VAL 67 -7.854 4.347 -15.201 470 HG13 VAL 67 3HG1 VAL 67 -7.578 2.951 -16.245 471 HG21 VAL 67 3HG2 VAL 67 -9.755 4.721 -16.949 472 HG22 VAL 67 1HG2 VAL 67 -8.985 6.159 -16.279 473 HG23 VAL 67 2HG2 VAL 67 -9.249 6.029 -18.018 474 HA PRO 68 HA PRO 68 -5.579 8.735 -14.590 475 HB2 PRO 68 1HB PRO 68 -7.732 10.359 -14.280 476 HB3 PRO 68 2HB PRO 68 -6.512 10.611 -15.533 477 HG2 PRO 68 1HG PRO 68 -9.206 9.324 -15.745 478 HG3 PRO 68 2HG PRO 68 -8.422 10.467 -16.851 479 HD2 PRO 68 1HD PRO 68 -8.490 7.801 -17.319 480 HD3 PRO 68 2HD PRO 68 -7.137 8.827 -17.835 481 H TYR 69 H TYR 69 -5.553 7.389 -12.852 482 HA TYR 69 HA TYR 69 -8.130 6.854 -11.525 483 HB2 TYR 69 1HB TYR 69 -7.051 4.855 -10.540 484 HB3 TYR 69 2HB TYR 69 -7.110 4.788 -12.298 485 HD1 TYR 69 1HD TYR 69 -4.905 5.309 -9.387 486 HD2 TYR 69 2HD TYR 69 -5.107 4.741 -13.599 487 HE1 TYR 69 1HE TYR 69 -2.477 4.919 -9.445 488 HE2 TYR 69 2HE TYR 69 -2.680 4.348 -13.669 489 HH TYR 69 HH TYR 69 -0.818 4.109 -12.478 490 HA PRO 70 HA PRO 70 -6.651 9.294 -8.162 491 HB2 PRO 70 1HB PRO 70 -8.355 8.395 -6.250 492 HB3 PRO 70 2HB PRO 70 -8.855 9.490 -7.545 493 HG2 PRO 70 1HG PRO 70 -9.196 6.523 -7.336 494 HG3 PRO 70 2HG PRO 70 -10.356 7.747 -7.886 495 HD2 PRO 70 1HD PRO 70 -8.934 6.210 -9.603 496 HD3 PRO 70 2HD PRO 70 -9.414 7.876 -9.986 497 H PHE 71 H PHE 71 -4.678 8.762 -7.412 498 HA PHE 71 HA PHE 71 -3.692 6.311 -6.695 499 HB2 PHE 71 1HB PHE 71 -2.461 8.551 -6.887 500 HB3 PHE 71 2HB PHE 71 -2.920 8.816 -5.208 501 HD1 PHE 71 1HD PHE 71 -1.454 6.059 -7.259 502 HD2 PHE 71 2HD PHE 71 -1.314 8.324 -3.658 503 HE1 PHE 71 1HE PHE 71 0.508 4.768 -6.526 504 HE2 PHE 71 2HE PHE 71 0.649 7.037 -2.920 505 HZ PHE 71 HZ PHE 71 1.563 5.257 -4.355 506 H GLY 72 H GLY 72 -3.216 5.347 -4.612 507 HA2 GLY 72 1HA GLY 72 -3.646 4.876 -2.366 508 HA3 GLY 72 2HA GLY 72 -4.805 6.197 -2.336 509 H ASN 73 H ASN 73 -6.740 5.714 -3.936 510 HA ASN 73 HA ASN 73 -8.435 3.944 -2.870 511 HB2 ASN 73 1HB ASN 73 -8.709 5.541 -4.930 512 HB3 ASN 73 2HB ASN 73 -8.387 4.083 -5.864 513 HD21 ASN 73 1HD2 ASN 73 -10.460 4.120 -6.739 514 HD22 ASN 73 2HD2 ASN 73 -11.849 3.664 -5.817 515 H LEU 74 H LEU 74 -5.931 3.145 -5.217 516 HA LEU 74 HA LEU 74 -6.446 0.678 -6.084 517 HB2 LEU 74 1HB LEU 74 -3.846 1.408 -4.745 518 HB3 LEU 74 2HB LEU 74 -4.085 0.135 -5.940 519 HG LEU 74 HG LEU 74 -4.751 2.936 -6.702 520 HD11 LEU 74 1HD1 LEU 74 -2.195 2.186 -5.699 521 HD12 LEU 74 2HD1 LEU 74 -2.703 3.722 -6.399 522 HD13 LEU 74 3HD1 LEU 74 -2.068 2.447 -7.438 523 HD21 LEU 74 3HD2 LEU 74 -3.565 0.565 -8.142 524 HD22 LEU 74 1HD2 LEU 74 -3.905 2.134 -8.874 525 HD23 LEU 74 2HD2 LEU 74 -5.228 1.145 -8.255 526 H LYS 75 H LYS 75 -6.836 -1.313 -5.329 527 HA LYS 75 HA LYS 75 -6.790 -1.693 -2.421 528 HB2 LYS 75 1HB LYS 75 -8.423 -3.389 -2.712 529 HB3 LYS 75 2HB LYS 75 -8.910 -2.061 -3.757 530 HG2 LYS 75 1HG LYS 75 -8.497 -3.226 -5.668 531 HG3 LYS 75 2HG LYS 75 -7.221 -4.199 -4.933 532 HD2 LYS 75 1HD LYS 75 -8.859 -5.782 -5.103 533 HD3 LYS 75 2HD LYS 75 -9.248 -5.130 -3.509 534 HE2 LYS 75 1HE LYS 75 -10.489 -3.932 -5.949 535 HE3 LYS 75 2HE LYS 75 -11.125 -5.442 -5.298 536 HZ1 LYS 75 3HZ LYS 75 -10.702 -3.347 -3.347 537 HZ2 LYS 75 1HZ LYS 75 -12.009 -4.405 -3.536 538 HZ3 LYS 75 2HZ LYS 75 -11.901 -3.015 -4.493 539 HA PRO 76 HA PRO 76 -3.455 -4.548 -2.541 540 HB2 PRO 76 1HB PRO 76 -4.131 -6.206 -0.500 541 HB3 PRO 76 2HB PRO 76 -3.546 -4.558 -0.245 542 HG2 PRO 76 1HG PRO 76 -6.354 -5.596 -0.230 543 HG3 PRO 76 2HG PRO 76 -5.581 -4.445 0.875 544 HD2 PRO 76 1HD PRO 76 -7.205 -3.659 -1.144 545 HD3 PRO 76 2HD PRO 76 -5.833 -2.679 -0.585 546 H ASN 77 H ASN 77 -2.915 -6.398 -3.573 547 HA ASN 77 HA ASN 77 -5.117 -8.168 -4.394 548 HB2 ASN 77 1HB ASN 77 -3.568 -6.855 -6.075 549 HB3 ASN 77 2HB ASN 77 -2.451 -8.178 -5.754 550 HD21 ASN 77 1HD2 ASN 77 -2.612 -9.872 -7.024 551 HD22 ASN 77 2HD2 ASN 77 -4.003 -10.328 -7.941 552 H LEU 78 H LEU 78 -3.857 -8.429 -1.847 553 HA LEU 78 HA LEU 78 -2.611 -11.075 -2.187 554 HB2 LEU 78 1HB LEU 78 -1.059 -10.666 -0.475 555 HB3 LEU 78 2HB LEU 78 -1.012 -9.241 -1.510 556 HG LEU 78 HG LEU 78 -2.719 -9.220 0.942 557 HD11 LEU 78 1HD1 LEU 78 -0.443 -8.056 1.821 558 HD12 LEU 78 2HD1 LEU 78 0.213 -9.380 0.860 559 HD13 LEU 78 3HD1 LEU 78 -0.910 -9.719 2.176 560 HD21 LEU 78 3HD2 LEU 78 -2.704 -6.966 0.677 561 HD22 LEU 78 1HD2 LEU 78 -2.421 -7.423 -1.003 562 HD23 LEU 78 2HD2 LEU 78 -1.067 -6.941 0.020 563 H HIS 79 H HIS 79 -3.316 -12.677 -0.855 564 HA HIS 79 HA HIS 79 -4.842 -13.798 0.421 565 HB2 HIS 79 1HB HIS 79 -4.133 -11.449 2.176 566 HB3 HIS 79 2HB HIS 79 -5.160 -12.767 2.733 567 HD2 HIS 79 2HD HIS 79 -2.063 -12.134 3.916 568 HE1 HIS 79 1HE HIS 79 -1.242 -15.899 2.141 569 HE2 HIS 79 2HE HIS 79 -0.506 -14.199 3.848 570 H VAL 80 H VAL 80 -6.036 -12.208 -1.552 571 HA VAL 80 HA VAL 80 -8.345 -10.961 -0.258 572 HB VAL 80 HB VAL 80 -8.949 -10.156 -2.493 573 HG11 VAL 80 1HG1 VAL 80 -7.678 -8.416 -1.962 574 HG12 VAL 80 2HG1 VAL 80 -6.606 -9.453 -1.019 575 HG13 VAL 80 3HG1 VAL 80 -6.305 -9.203 -2.739 576 HG21 VAL 80 3HG2 VAL 80 -6.956 -12.130 -3.298 577 HG22 VAL 80 1HG2 VAL 80 -8.291 -11.428 -4.211 578 HG23 VAL 80 2HG2 VAL 80 -6.756 -10.568 -4.091 579 H ALA 81 H ALA 81 -8.209 -13.721 0.051 580 HA ALA 81 HA ALA 81 -9.817 -15.027 -1.944 581 HB1 ALA 81 3HB ALA 81 -8.081 -16.179 -0.556 582 HB2 ALA 81 1HB ALA 81 -9.169 -16.021 0.824 583 HB3 ALA 81 2HB ALA 81 -9.656 -16.974 -0.579 584 H ASN 82 H ASN 82 -11.162 -12.780 -1.115 585 HA ASN 82 HA ASN 82 -13.399 -13.919 0.427 586 HB2 ASN 82 1HB ASN 82 -12.245 -11.134 0.485 587 HB3 ASN 82 2HB ASN 82 -13.872 -11.482 1.063 588 HD21 ASN 82 1HD2 ASN 82 -10.469 -12.194 1.525 589 HD22 ASN 82 2HD2 ASN 82 -10.603 -12.678 3.178 590 H ILE 83 H ILE 83 -13.430 -14.367 -2.208 591 HA ILE 83 HA ILE 83 -15.516 -12.528 -3.157 592 HB ILE 83 HB ILE 83 -14.663 -12.683 -5.449 593 HG12 ILE 83 1HG1 ILE 83 -13.494 -14.847 -5.216 594 HG13 ILE 83 2HG1 ILE 83 -12.451 -13.609 -5.907 595 HG21 ILE 83 1HG2 ILE 83 -14.013 -10.739 -4.274 596 HG22 ILE 83 2HG2 ILE 83 -12.782 -11.612 -3.363 597 HG23 ILE 83 3HG2 ILE 83 -12.562 -11.324 -5.088 598 HD11 ILE 83 3HD1 ILE 83 -10.959 -14.251 -4.396 599 HD12 ILE 83 1HD1 ILE 83 -11.956 -13.402 -3.215 600 HD13 ILE 83 2HD1 ILE 83 -12.163 -15.137 -3.460 601 H VAL 84 H VAL 84 -15.948 -14.966 -1.861 602 HA VAL 84 HA VAL 84 -16.660 -16.833 -4.011 603 HB VAL 84 HB VAL 84 -16.668 -17.262 -1.019 604 HG11 VAL 84 1HG1 VAL 84 -17.539 -19.314 -1.332 605 HG12 VAL 84 2HG1 VAL 84 -18.166 -18.612 -2.825 606 HG13 VAL 84 3HG1 VAL 84 -16.679 -19.562 -2.851 607 HG21 VAL 84 3HG2 VAL 84 -14.692 -17.980 -3.169 608 HG22 VAL 84 1HG2 VAL 84 -14.414 -17.076 -1.680 609 HG23 VAL 84 2HG2 VAL 84 -14.739 -18.808 -1.613 610 H GLU 85 H GLU 85 -18.733 -17.339 -4.493 611 HA GLU 85 HA GLU 85 -20.816 -15.674 -4.233 612 HB2 GLU 85 1HB GLU 85 -20.721 -17.894 -5.484 613 HB3 GLU 85 2HB GLU 85 -21.239 -18.648 -3.983 614 HG2 GLU 85 1HG GLU 85 -22.764 -16.490 -5.420 615 HG3 GLU 85 2HG GLU 85 -23.079 -18.217 -5.576 Start of MODEL 4 1 H1 GLY 1 H GLY 1 19.116 17.702 -4.361 2 HA2 GLY 1 1HA GLY 1 21.289 16.976 -5.784 3 HA3 GLY 1 2HA GLY 1 21.580 16.187 -4.241 4 H SER 2 H SER 2 21.107 15.014 -6.885 5 HA SER 2 HA SER 2 18.943 13.214 -6.098 6 HB2 SER 2 1HB SER 2 19.105 14.584 -8.792 7 HB3 SER 2 2HB SER 2 18.026 13.240 -8.419 8 HG SER 2 HG SER 2 16.731 14.812 -7.861 9 H SER 3 H SER 3 18.864 11.309 -7.722 10 HA SER 3 HA SER 3 21.327 10.668 -9.054 11 HB2 SER 3 1HB SER 3 21.811 10.249 -6.599 12 HB3 SER 3 2HB SER 3 20.600 8.969 -6.663 13 HG SER 3 HG SER 3 23.044 8.607 -7.164 14 H GLY 4 H GLY 4 21.256 8.208 -9.681 15 HA2 GLY 4 1HA GLY 4 18.548 7.195 -10.001 16 HA3 GLY 4 2HA GLY 4 19.355 7.688 -11.482 17 H SER 5 H SER 5 18.777 5.275 -11.780 18 HA SER 5 HA SER 5 21.245 3.801 -11.464 19 HB2 SER 5 1HB SER 5 18.690 2.952 -10.108 20 HB3 SER 5 2HB SER 5 19.946 1.790 -10.534 21 HG SER 5 HG SER 5 20.478 4.116 -9.013 22 H SER 6 H SER 6 20.867 1.477 -12.427 23 HA SER 6 HA SER 6 18.826 1.170 -14.379 24 HB2 SER 6 1HB SER 6 20.099 1.468 -16.404 25 HB3 SER 6 2HB SER 6 20.240 2.947 -15.455 26 HG SER 6 HG SER 6 22.157 0.997 -16.021 27 H GLY 7 H GLY 7 19.065 -0.806 -15.626 28 HA2 GLY 7 1HA GLY 7 20.005 -2.907 -16.074 29 HA3 GLY 7 2HA GLY 7 21.246 -2.584 -14.872 30 H MET 8 H MET 8 20.799 -4.815 -14.214 31 HA MET 8 HA MET 8 20.034 -6.233 -12.600 32 HB2 MET 8 1HB MET 8 19.704 -3.903 -11.393 33 HB3 MET 8 2HB MET 8 18.001 -4.273 -11.631 34 HG2 MET 8 1HG MET 8 19.733 -6.369 -10.444 35 HG3 MET 8 2HG MET 8 19.295 -4.983 -9.449 36 HE1 MET 8 3HE MET 8 15.682 -4.819 -10.588 37 HE2 MET 8 1HE MET 8 15.835 -4.943 -8.835 38 HE3 MET 8 2HE MET 8 17.005 -3.999 -9.757 39 H ALA 9 H ALA 9 18.993 -6.347 -15.169 40 HA ALA 9 HA ALA 9 16.115 -6.768 -14.856 41 HB1 ALA 9 3HB ALA 9 16.845 -5.510 -16.812 42 HB2 ALA 9 1HB ALA 9 17.836 -6.875 -17.330 43 HB3 ALA 9 2HB ALA 9 16.079 -7.026 -17.287 44 H SER 10 H SER 10 15.115 -8.750 -15.380 45 HA SER 10 HA SER 10 16.916 -11.078 -15.212 46 HB2 SER 10 1HB SER 10 14.164 -10.630 -14.056 47 HB3 SER 10 2HB SER 10 14.868 -12.240 -14.212 48 HG SER 10 HG SER 10 15.342 -11.433 -12.177 49 H SER 11 H SER 11 16.919 -12.406 -16.894 50 HA SER 11 HA SER 11 14.906 -12.066 -18.974 51 HB2 SER 11 1HB SER 11 17.255 -12.077 -19.658 52 HB3 SER 11 2HB SER 11 17.472 -13.676 -18.946 53 HG SER 11 HG SER 11 17.070 -13.614 -21.273 54 H VAL 12 H VAL 12 13.220 -13.372 -19.165 55 HA VAL 12 HA VAL 12 13.447 -16.168 -18.335 56 HB VAL 12 HB VAL 12 11.171 -14.390 -17.448 57 HG11 VAL 12 1HG1 VAL 12 10.241 -16.501 -17.739 58 HG12 VAL 12 2HG1 VAL 12 11.709 -17.328 -17.216 59 HG13 VAL 12 3HG1 VAL 12 10.697 -16.496 -16.036 60 HG21 VAL 12 3HG2 VAL 12 13.639 -15.354 -16.077 61 HG22 VAL 12 1HG2 VAL 12 12.842 -13.783 -15.990 62 HG23 VAL 12 2HG2 VAL 12 12.154 -15.170 -15.146 63 H LEU 13 H LEU 13 11.977 -17.575 -19.351 64 HA LEU 13 HA LEU 13 10.548 -16.399 -21.644 65 HB2 LEU 13 1HB LEU 13 11.016 -18.425 -22.889 66 HB3 LEU 13 2HB LEU 13 12.510 -17.669 -22.340 67 HG LEU 13 HG LEU 13 11.348 -19.863 -20.696 68 HD11 LEU 13 1HD1 LEU 13 12.326 -21.572 -22.041 69 HD12 LEU 13 2HD1 LEU 13 12.996 -20.385 -23.161 70 HD13 LEU 13 3HD1 LEU 13 11.251 -20.626 -23.071 71 HD21 LEU 13 3HD2 LEU 13 13.429 -19.998 -19.831 72 HD22 LEU 13 1HD2 LEU 13 13.549 -18.345 -20.433 73 HD23 LEU 13 2HD2 LEU 13 14.212 -19.677 -21.379 74 H GLU 14 H GLU 14 9.020 -16.406 -19.559 75 HA GLU 14 HA GLU 14 7.731 -18.861 -18.931 76 HB2 GLU 14 1HB GLU 14 7.783 -16.492 -17.709 77 HB3 GLU 14 2HB GLU 14 6.286 -16.279 -18.605 78 HG2 GLU 14 1HG GLU 14 5.495 -17.146 -16.649 79 HG3 GLU 14 2HG GLU 14 5.696 -18.616 -17.601 80 H MET 15 H MET 15 5.510 -19.421 -19.410 81 HA MET 15 HA MET 15 4.902 -19.620 -22.068 82 HB2 MET 15 1HB MET 15 3.021 -19.546 -19.707 83 HB3 MET 15 2HB MET 15 2.528 -20.012 -21.329 84 HG2 MET 15 1HG MET 15 4.170 -21.845 -21.272 85 HG3 MET 15 2HG MET 15 4.577 -21.398 -19.617 86 HE1 MET 15 3HE MET 15 4.362 -23.723 -19.158 87 HE2 MET 15 1HE MET 15 2.887 -24.403 -18.471 88 HE3 MET 15 2HE MET 15 3.254 -24.641 -20.179 89 H ILE 16 H ILE 16 2.802 -18.718 -23.095 90 HA ILE 16 HA ILE 16 3.155 -15.884 -23.338 91 HB ILE 16 HB ILE 16 1.057 -17.675 -24.568 92 HG12 ILE 16 1HG1 ILE 16 3.388 -18.250 -25.189 93 HG13 ILE 16 2HG1 ILE 16 2.457 -17.647 -26.555 94 HG21 ILE 16 1HG2 ILE 16 0.224 -15.914 -25.692 95 HG22 ILE 16 2HG2 ILE 16 0.922 -14.981 -24.369 96 HG23 ILE 16 3HG2 ILE 16 1.805 -15.157 -25.885 97 HD11 ILE 16 3HD1 ILE 16 4.945 -16.766 -25.680 98 HD12 ILE 16 1HD1 ILE 16 3.916 -16.023 -26.904 99 HD13 ILE 16 2HD1 ILE 16 3.814 -15.492 -25.224 100 H LYS 17 H LYS 17 2.637 -15.317 -21.112 101 HA LYS 17 HA LYS 17 -0.272 -15.163 -20.659 102 HB2 LYS 17 1HB LYS 17 1.973 -15.810 -18.824 103 HB3 LYS 17 2HB LYS 17 0.673 -14.820 -18.173 104 HG2 LYS 17 1HG LYS 17 0.132 -17.049 -17.648 105 HG3 LYS 17 2HG LYS 17 -0.925 -16.592 -18.985 106 HD2 LYS 17 1HD LYS 17 0.673 -17.685 -20.545 107 HD3 LYS 17 2HD LYS 17 1.601 -18.236 -19.148 108 HE2 LYS 17 1HE LYS 17 0.026 -19.774 -18.539 109 HE3 LYS 17 2HE LYS 17 -1.308 -18.836 -19.207 110 HZ1 LYS 17 3HZ LYS 17 -0.717 -19.514 -21.398 111 HZ2 LYS 17 1HZ LYS 17 -0.799 -20.907 -20.442 112 HZ3 LYS 17 2HZ LYS 17 0.705 -20.257 -20.861 113 H GLU 18 H GLU 18 0.821 -13.240 -22.206 114 HA GLU 18 HA GLU 18 1.675 -10.985 -20.625 115 HB2 GLU 18 1HB GLU 18 1.624 -9.760 -22.769 116 HB3 GLU 18 2HB GLU 18 2.556 -11.247 -22.870 117 HG2 GLU 18 1HG GLU 18 1.380 -11.432 -24.793 118 HG3 GLU 18 2HG GLU 18 0.240 -12.214 -23.700 119 H GLU 19 H GLU 19 -0.722 -11.856 -19.636 120 HA GLU 19 HA GLU 19 -2.494 -9.619 -20.336 121 HB2 GLU 19 1HB GLU 19 -3.204 -12.528 -20.100 122 HB3 GLU 19 2HB GLU 19 -4.405 -11.285 -19.776 123 HG2 GLU 19 1HG GLU 19 -4.259 -10.448 -21.994 124 HG3 GLU 19 2HG GLU 19 -2.850 -11.448 -22.341 125 H VAL 20 H VAL 20 -1.708 -12.132 -17.960 126 HA VAL 20 HA VAL 20 -2.965 -10.574 -15.838 127 HB VAL 20 HB VAL 20 -2.485 -12.485 -14.388 128 HG11 VAL 20 1HG1 VAL 20 -3.653 -13.500 -16.969 129 HG12 VAL 20 2HG1 VAL 20 -4.047 -14.002 -15.324 130 HG13 VAL 20 3HG1 VAL 20 -4.510 -12.397 -15.892 131 HG21 VAL 20 3HG2 VAL 20 -0.985 -13.460 -16.793 132 HG22 VAL 20 1HG2 VAL 20 -0.455 -13.365 -15.113 133 HG23 VAL 20 2HG2 VAL 20 -1.626 -14.591 -15.601 134 H THR 21 H THR 21 0.220 -11.719 -16.840 135 HA THR 21 HA THR 21 1.691 -10.920 -14.605 136 HB THR 21 HB THR 21 2.708 -10.840 -17.447 137 HG1 THR 21 1HG THR 21 1.910 -12.869 -17.274 138 HG21 THR 21 3HG2 THR 21 4.114 -11.469 -14.850 139 HG22 THR 21 1HG2 THR 21 4.186 -9.917 -15.684 140 HG23 THR 21 2HG2 THR 21 4.851 -11.361 -16.448 141 H CYS 22 H CYS 22 2.924 -9.067 -14.165 142 HA CYS 22 HA CYS 22 1.736 -6.619 -14.483 143 HB2 CYS 22 1HB CYS 22 3.741 -7.354 -12.994 144 HB3 CYS 22 2HB CYS 22 4.730 -6.817 -14.349 145 HA PRO 23 HA PRO 23 2.403 -5.796 -18.810 146 HB2 PRO 23 1HB PRO 23 1.222 -3.351 -18.810 147 HB3 PRO 23 2HB PRO 23 0.304 -4.861 -18.795 148 HG2 PRO 23 1HG PRO 23 0.988 -3.038 -16.521 149 HG3 PRO 23 2HG PRO 23 -0.546 -3.851 -16.881 150 HD2 PRO 23 1HD PRO 23 1.195 -4.780 -15.027 151 HD3 PRO 23 2HD PRO 23 0.163 -5.856 -15.990 152 H ILE 24 H ILE 24 4.017 -4.579 -16.230 153 HA ILE 24 HA ILE 24 5.450 -2.557 -17.821 154 HB ILE 24 HB ILE 24 5.316 -2.907 -14.824 155 HG12 ILE 24 1HG1 ILE 24 4.440 -0.517 -16.433 156 HG13 ILE 24 2HG1 ILE 24 3.354 -1.871 -16.137 157 HG21 ILE 24 1HG2 ILE 24 6.518 -0.452 -15.787 158 HG22 ILE 24 2HG2 ILE 24 7.099 -1.596 -14.578 159 HG23 ILE 24 3HG2 ILE 24 7.426 -1.878 -16.288 160 HD11 ILE 24 3HD1 ILE 24 3.422 0.250 -14.570 161 HD12 ILE 24 1HD1 ILE 24 3.105 -1.366 -13.940 162 HD13 ILE 24 2HD1 ILE 24 4.718 -0.666 -13.801 163 H CYS 25 H CYS 25 6.261 -4.727 -15.107 164 HA CYS 25 HA CYS 25 8.935 -5.083 -16.153 165 HB2 CYS 25 1HB CYS 25 9.177 -6.572 -14.109 166 HB3 CYS 25 2HB CYS 25 8.814 -4.879 -13.791 167 H LEU 26 H LEU 26 5.923 -6.781 -16.160 168 HA LEU 26 HA LEU 26 5.242 -8.691 -17.190 169 HB2 LEU 26 1HB LEU 26 7.971 -8.649 -18.468 170 HB3 LEU 26 2HB LEU 26 6.587 -9.601 -18.999 171 HG LEU 26 HG LEU 26 6.532 -6.595 -18.951 172 HD11 LEU 26 1HD1 LEU 26 8.428 -7.298 -20.328 173 HD12 LEU 26 2HD1 LEU 26 7.127 -6.624 -21.308 174 HD13 LEU 26 3HD1 LEU 26 7.366 -8.370 -21.242 175 HD21 LEU 26 3HD2 LEU 26 4.380 -7.136 -19.335 176 HD22 LEU 26 1HD2 LEU 26 4.774 -8.772 -19.866 177 HD23 LEU 26 2HD2 LEU 26 4.951 -7.416 -20.981 178 H GLU 27 H GLU 27 6.070 -9.013 -14.643 179 HA GLU 27 HA GLU 27 7.040 -11.749 -14.681 180 HB2 GLU 27 1HB GLU 27 8.874 -11.450 -13.237 181 HB3 GLU 27 2HB GLU 27 9.043 -10.183 -14.443 182 HG2 GLU 27 1HG GLU 27 8.309 -8.519 -12.946 183 HG3 GLU 27 2HG GLU 27 7.726 -9.713 -11.789 184 H LEU 28 H LEU 28 6.769 -12.824 -12.585 185 HA LEU 28 HA LEU 28 4.344 -12.806 -11.509 186 HB2 LEU 28 1HB LEU 28 6.996 -13.272 -10.224 187 HB3 LEU 28 2HB LEU 28 5.540 -13.318 -9.232 188 HG LEU 28 HG LEU 28 6.069 -15.072 -11.630 189 HD11 LEU 28 1HD1 LEU 28 6.487 -16.844 -10.100 190 HD12 LEU 28 2HD1 LEU 28 6.055 -15.836 -8.718 191 HD13 LEU 28 3HD1 LEU 28 7.523 -15.494 -9.634 192 HD21 LEU 28 3HD2 LEU 28 4.107 -16.325 -10.746 193 HD22 LEU 28 1HD2 LEU 28 3.716 -14.717 -11.357 194 HD23 LEU 28 2HD2 LEU 28 3.824 -14.997 -9.619 195 H LEU 29 H LEU 29 3.039 -11.320 -10.693 196 HA LEU 29 HA LEU 29 3.950 -8.760 -9.862 197 HB2 LEU 29 1HB LEU 29 1.267 -10.105 -9.601 198 HB3 LEU 29 2HB LEU 29 1.573 -8.419 -9.188 199 HG LEU 29 HG LEU 29 2.268 -9.298 -11.937 200 HD11 LEU 29 1HD1 LEU 29 -0.576 -8.780 -11.082 201 HD12 LEU 29 2HD1 LEU 29 0.080 -10.360 -11.507 202 HD13 LEU 29 3HD1 LEU 29 -0.000 -9.084 -12.722 203 HD21 LEU 29 3HD2 LEU 29 2.700 -7.021 -11.260 204 HD22 LEU 29 1HD2 LEU 29 1.028 -6.826 -10.733 205 HD23 LEU 29 2HD2 LEU 29 1.392 -7.044 -12.445 206 H LYS 30 H LYS 30 4.795 -8.227 -7.971 207 HA LYS 30 HA LYS 30 4.375 -9.981 -5.667 208 HB2 LYS 30 1HB LYS 30 6.335 -7.715 -6.080 209 HB3 LYS 30 2HB LYS 30 6.261 -8.746 -4.658 210 HG2 LYS 30 1HG LYS 30 7.167 -10.546 -5.743 211 HG3 LYS 30 2HG LYS 30 6.598 -10.016 -7.328 212 HD2 LYS 30 1HD LYS 30 8.712 -8.522 -5.798 213 HD3 LYS 30 2HD LYS 30 9.102 -9.858 -6.883 214 HE2 LYS 30 1HE LYS 30 8.322 -8.701 -8.766 215 HE3 LYS 30 2HE LYS 30 7.434 -7.534 -7.789 216 HZ1 LYS 30 3HZ LYS 30 9.597 -6.765 -8.825 217 HZ2 LYS 30 1HZ LYS 30 10.382 -7.733 -7.681 218 HZ3 LYS 30 2HZ LYS 30 9.397 -6.455 -7.174 219 H GLU 31 H GLU 31 2.745 -9.479 -4.365 220 HA GLU 31 HA GLU 31 1.106 -8.267 -3.320 221 HB2 GLU 31 1HB GLU 31 3.650 -6.783 -2.719 222 HB3 GLU 31 2HB GLU 31 2.115 -6.266 -2.037 223 HG2 GLU 31 1HG GLU 31 3.143 -9.066 -1.725 224 HG3 GLU 31 2HG GLU 31 3.569 -7.770 -0.609 225 HA PRO 32 HA PRO 32 0.967 -5.089 -6.821 226 HB2 PRO 32 1HB PRO 32 -0.991 -6.286 -8.272 227 HB3 PRO 32 2HB PRO 32 0.727 -6.622 -8.516 228 HG2 PRO 32 1HG PRO 32 -1.311 -8.191 -6.984 229 HG3 PRO 32 2HG PRO 32 -0.050 -8.772 -8.087 230 HD2 PRO 32 1HD PRO 32 0.217 -8.857 -5.394 231 HD3 PRO 32 2HD PRO 32 1.599 -8.618 -6.483 232 H VAL 33 H VAL 33 -0.992 -3.837 -7.478 233 HA VAL 33 HA VAL 33 -3.205 -4.054 -5.560 234 HB VAL 33 HB VAL 33 -3.215 -1.590 -5.281 235 HG11 VAL 33 1HG1 VAL 33 -2.019 -3.288 -3.749 236 HG12 VAL 33 2HG1 VAL 33 -0.533 -2.604 -4.412 237 HG13 VAL 33 3HG1 VAL 33 -1.671 -1.572 -3.544 238 HG21 VAL 33 3HG2 VAL 33 -1.996 -0.316 -6.632 239 HG22 VAL 33 1HG2 VAL 33 -0.533 -0.974 -5.900 240 HG23 VAL 33 2HG2 VAL 33 -1.226 -1.742 -7.328 241 H SER 34 H SER 34 -5.020 -4.236 -6.681 242 HA SER 34 HA SER 34 -5.227 -3.633 -9.439 243 HB2 SER 34 1HB SER 34 -6.604 -5.288 -7.921 244 HB3 SER 34 2HB SER 34 -7.661 -3.892 -7.711 245 HG SER 34 HG SER 34 -6.925 -4.355 -10.315 246 H ALA 35 H ALA 35 -6.900 -2.180 -10.371 247 HA ALA 35 HA ALA 35 -7.268 0.272 -8.786 248 HB1 ALA 35 3HB ALA 35 -6.954 1.053 -11.474 249 HB2 ALA 35 1HB ALA 35 -5.890 1.396 -10.110 250 HB3 ALA 35 2HB ALA 35 -5.620 -0.038 -11.101 251 H ASP 36 H ASP 36 -8.698 1.823 -10.368 252 HA ASP 36 HA ASP 36 -11.275 0.815 -10.288 253 HB2 ASP 36 1HB ASP 36 -9.989 3.137 -11.649 254 HB3 ASP 36 2HB ASP 36 -11.635 2.712 -12.112 255 H CYS 37 H CYS 37 -8.909 0.705 -12.877 256 HA CYS 37 HA CYS 37 -10.826 -0.494 -14.713 257 HB2 CYS 37 1HB CYS 37 -8.805 -0.529 -16.262 258 HB3 CYS 37 2HB CYS 37 -9.381 1.060 -15.769 259 H ASN 38 H ASN 38 -10.304 -1.986 -12.376 260 HA ASN 38 HA ASN 38 -9.525 -4.006 -11.605 261 HB2 ASN 38 1HB ASN 38 -10.633 -4.462 -14.345 262 HB3 ASN 38 2HB ASN 38 -9.883 -5.811 -13.498 263 HD21 ASN 38 1HD2 ASN 38 -12.516 -3.545 -13.522 264 HD22 ASN 38 2HD2 ASN 38 -13.497 -4.364 -12.359 265 H HIS 39 H HIS 39 -7.464 -2.287 -12.792 266 HA HIS 39 HA HIS 39 -5.614 -4.308 -13.859 267 HB2 HIS 39 1HB HIS 39 -5.627 -1.297 -14.045 268 HB3 HIS 39 2HB HIS 39 -4.230 -2.269 -14.498 269 HD2 HIS 39 2HD HIS 39 -7.058 -4.292 -15.724 270 HE1 HIS 39 1HE HIS 39 -6.311 -1.530 -18.856 271 HE2 HIS 39 2HE HIS 39 -7.543 -3.618 -18.174 272 H SER 40 H SER 40 -3.994 -5.014 -12.635 273 HA SER 40 HA SER 40 -3.303 -3.472 -10.219 274 HB2 SER 40 1HB SER 40 -2.621 -5.705 -9.252 275 HB3 SER 40 2HB SER 40 -4.351 -5.516 -9.535 276 HG SER 40 HG SER 40 -3.641 -7.520 -10.309 277 H PHE 41 H PHE 41 -1.121 -3.401 -9.582 278 HA PHE 41 HA PHE 41 0.882 -4.498 -11.388 279 HB2 PHE 41 1HB PHE 41 1.039 -1.570 -10.732 280 HB3 PHE 41 2HB PHE 41 1.867 -2.463 -12.003 281 HD1 PHE 41 1HD PHE 41 -1.255 -0.848 -11.003 282 HD2 PHE 41 2HD PHE 41 0.770 -2.962 -14.092 283 HE1 PHE 41 1HE PHE 41 -3.000 -0.176 -12.602 284 HE2 PHE 41 2HE PHE 41 -0.971 -2.293 -15.696 285 HZ PHE 41 HZ PHE 41 -2.859 -0.897 -14.952 286 H CYS 42 H CYS 42 2.942 -4.675 -10.477 287 HA CYS 42 HA CYS 42 3.218 -5.360 -7.885 288 HB2 CYS 42 1HB CYS 42 5.377 -3.876 -9.392 289 HB3 CYS 42 2HB CYS 42 5.599 -5.047 -8.097 290 H ARG 43 H ARG 43 3.197 -4.407 -5.954 291 HA ARG 43 HA ARG 43 2.277 -1.984 -5.324 292 HB2 ARG 43 1HB ARG 43 2.892 -3.689 -3.657 293 HB3 ARG 43 2HB ARG 43 4.591 -3.304 -3.896 294 HG2 ARG 43 1HG ARG 43 4.099 -2.124 -1.987 295 HG3 ARG 43 2HG ARG 43 3.869 -0.898 -3.236 296 HD2 ARG 43 1HD ARG 43 1.406 -1.709 -3.223 297 HD3 ARG 43 2HD ARG 43 1.819 -2.400 -1.654 298 HE ARG 43 HE ARG 43 1.412 0.368 -2.268 299 HH11 ARG 43 1HH1 ARG 43 3.052 -1.858 -0.152 300 HH12 ARG 43 2HH1 ARG 43 3.192 -0.722 1.149 301 HH21 ARG 43 1HH2 ARG 43 1.591 1.873 -0.562 302 HH22 ARG 43 2HH2 ARG 43 2.360 1.399 0.915 303 H ALA 44 H ALA 44 5.657 -2.652 -6.136 304 HA ALA 44 HA ALA 44 6.503 0.060 -5.774 305 HB1 ALA 44 3HB ALA 44 7.736 -2.481 -6.478 306 HB2 ALA 44 1HB ALA 44 8.410 -1.116 -7.369 307 HB3 ALA 44 2HB ALA 44 8.402 -1.102 -5.605 308 H CYS 45 H CYS 45 6.215 -1.984 -8.688 309 HA CYS 45 HA CYS 45 6.744 -0.227 -10.664 310 HB2 CYS 45 1HB CYS 45 4.645 -2.370 -10.487 311 HB3 CYS 45 2HB CYS 45 4.813 -1.403 -11.948 312 H ILE 46 H ILE 46 3.398 -0.712 -9.518 313 HA ILE 46 HA ILE 46 2.159 1.345 -10.805 314 HB ILE 46 HB ILE 46 1.189 -0.387 -9.143 315 HG12 ILE 46 1HG1 ILE 46 0.057 1.591 -10.449 316 HG13 ILE 46 2HG1 ILE 46 -0.832 0.741 -9.190 317 HG21 ILE 46 1HG2 ILE 46 1.747 1.922 -7.288 318 HG22 ILE 46 2HG2 ILE 46 0.686 0.564 -6.917 319 HG23 ILE 46 3HG2 ILE 46 2.408 0.291 -7.176 320 HD11 ILE 46 3HD1 ILE 46 -0.157 2.536 -7.605 321 HD12 ILE 46 1HD1 ILE 46 0.533 3.409 -8.973 322 HD13 ILE 46 2HD1 ILE 46 -1.198 3.076 -8.923 323 H THR 47 H THR 47 4.053 1.544 -7.830 324 HA THR 47 HA THR 47 3.501 4.294 -7.336 325 HB THR 47 HB THR 47 5.818 2.618 -6.348 326 HG1 THR 47 1HG THR 47 3.322 2.266 -5.848 327 HG21 THR 47 3HG2 THR 47 5.317 4.469 -4.423 328 HG22 THR 47 1HG2 THR 47 4.982 5.400 -5.882 329 HG23 THR 47 2HG2 THR 47 6.557 4.637 -5.665 330 H LEU 48 H LEU 48 6.615 2.786 -8.211 331 HA LEU 48 HA LEU 48 8.007 5.032 -8.902 332 HB2 LEU 48 1HB LEU 48 9.205 3.034 -8.871 333 HB3 LEU 48 2HB LEU 48 8.082 2.236 -9.969 334 HG LEU 48 HG LEU 48 8.946 3.720 -11.793 335 HD11 LEU 48 1HD1 LEU 48 9.880 5.383 -10.065 336 HD12 LEU 48 2HD1 LEU 48 10.826 5.057 -11.517 337 HD13 LEU 48 3HD1 LEU 48 11.266 4.295 -9.989 338 HD21 LEU 48 3HD2 LEU 48 10.651 1.718 -10.366 339 HD22 LEU 48 1HD2 LEU 48 11.246 2.527 -11.816 340 HD23 LEU 48 2HD2 LEU 48 9.773 1.559 -11.888 341 H ASN 49 H ASN 49 6.113 3.026 -11.163 342 HA ASN 49 HA ASN 49 6.449 4.488 -13.464 343 HB2 ASN 49 1HB ASN 49 5.042 2.301 -12.905 344 HB3 ASN 49 2HB ASN 49 3.710 3.453 -12.889 345 HD21 ASN 49 1HD2 ASN 49 2.704 3.638 -14.742 346 HD22 ASN 49 2HD2 ASN 49 3.397 3.425 -16.310 347 H TYR 50 H TYR 50 3.903 4.945 -11.016 348 HA TYR 50 HA TYR 50 2.516 7.028 -12.140 349 HB2 TYR 50 1HB TYR 50 1.536 6.314 -10.190 350 HB3 TYR 50 2HB TYR 50 3.069 6.194 -9.334 351 HD1 TYR 50 2HD TYR 50 1.269 8.994 -11.045 352 HD2 TYR 50 1HD TYR 50 3.092 7.556 -7.479 353 HE1 TYR 50 2HE TYR 50 0.824 11.153 -9.954 354 HE2 TYR 50 1HE TYR 50 2.651 9.711 -6.378 355 HH TYR 50 HH TYR 50 1.923 11.801 -6.645 356 H GLU 51 H GLU 51 5.203 7.398 -9.817 357 HA GLU 51 HA GLU 51 5.485 10.107 -9.815 358 HB2 GLU 51 1HB GLU 51 7.735 8.088 -9.876 359 HB3 GLU 51 2HB GLU 51 7.880 9.756 -9.341 360 HG2 GLU 51 1HG GLU 51 6.734 9.379 -7.390 361 HG3 GLU 51 2HG GLU 51 5.873 7.984 -8.039 362 H SER 52 H SER 52 6.814 7.861 -12.215 363 HA SER 52 HA SER 52 8.201 9.776 -13.740 364 HB2 SER 52 1HB SER 52 8.485 7.279 -13.886 365 HB3 SER 52 2HB SER 52 6.966 7.217 -14.779 366 HG SER 52 HG SER 52 8.151 8.921 -16.133 367 H ASN 53 H ASN 53 4.927 8.445 -14.067 368 HA ASN 53 HA ASN 53 4.320 10.616 -15.964 369 HB2 ASN 53 1HB ASN 53 2.742 8.060 -15.709 370 HB3 ASN 53 2HB ASN 53 2.728 9.223 -17.032 371 HD21 ASN 53 1HD2 ASN 53 3.735 6.255 -16.181 372 HD22 ASN 53 2HD2 ASN 53 5.089 6.076 -17.240 373 H ARG 54 H ARG 54 3.352 12.213 -14.887 374 HA ARG 54 HA ARG 54 0.872 11.690 -13.512 375 HB2 ARG 54 1HB ARG 54 1.461 12.576 -11.385 376 HB3 ARG 54 2HB ARG 54 2.674 11.365 -11.775 377 HG2 ARG 54 1HG ARG 54 4.341 12.897 -11.989 378 HG3 ARG 54 2HG ARG 54 3.247 14.176 -12.520 379 HD2 ARG 54 1HD ARG 54 3.696 14.943 -10.427 380 HD3 ARG 54 2HD ARG 54 2.331 13.894 -10.046 381 HE ARG 54 HE ARG 54 3.750 12.573 -8.844 382 HH11 ARG 54 1HH1 ARG 54 5.627 14.528 -11.028 383 HH12 ARG 54 2HH1 ARG 54 7.152 14.012 -10.387 384 HH21 ARG 54 1HH2 ARG 54 5.750 11.886 -7.990 385 HH22 ARG 54 2HH2 ARG 54 7.221 12.509 -8.659 386 H ASN 55 H ASN 55 -0.113 13.798 -12.721 387 HA ASN 55 HA ASN 55 0.505 15.896 -14.685 388 HB2 ASN 55 1HB ASN 55 -1.908 16.641 -13.813 389 HB3 ASN 55 2HB ASN 55 -1.702 15.457 -15.100 390 HD21 ASN 55 1HD2 ASN 55 -3.506 14.278 -14.759 391 HD22 ASN 55 2HD2 ASN 55 -3.812 13.367 -13.323 392 H THR 56 H THR 56 2.112 15.761 -12.423 393 HA THR 56 HA THR 56 2.761 16.872 -10.514 394 HB THR 56 HB THR 56 3.051 19.229 -10.847 395 HG1 THR 56 1HG THR 56 1.104 19.004 -12.921 396 HG21 THR 56 3HG2 THR 56 4.405 17.780 -12.284 397 HG22 THR 56 1HG2 THR 56 4.022 19.299 -13.093 398 HG23 THR 56 2HG2 THR 56 3.149 17.827 -13.521 399 H ASP 57 H ASP 57 -0.096 16.028 -10.560 400 HA ASP 57 HA ASP 57 -1.101 17.965 -8.580 401 HB2 ASP 57 1HB ASP 57 -2.476 16.663 -10.879 402 HB3 ASP 57 2HB ASP 57 -3.402 16.886 -9.397 403 H GLY 58 H GLY 58 -1.263 14.580 -9.667 404 HA2 GLY 58 1HA GLY 58 -0.589 13.256 -7.438 405 HA3 GLY 58 2HA GLY 58 -2.241 13.727 -7.069 406 H LYS 59 H LYS 59 -3.255 13.480 -9.735 407 HA LYS 59 HA LYS 59 -3.791 10.670 -9.738 408 HB2 LYS 59 1HB LYS 59 -4.583 12.875 -11.646 409 HB3 LYS 59 2HB LYS 59 -5.149 11.215 -11.778 410 HG2 LYS 59 1HG LYS 59 -5.998 11.513 -9.382 411 HG3 LYS 59 2HG LYS 59 -5.756 13.240 -9.656 412 HD2 LYS 59 1HD LYS 59 -7.935 13.039 -10.323 413 HD3 LYS 59 2HD LYS 59 -7.122 12.725 -11.858 414 HE2 LYS 59 1HE LYS 59 -7.631 10.499 -11.828 415 HE3 LYS 59 2HE LYS 59 -7.648 10.415 -10.067 416 HZ1 LYS 59 3HZ LYS 59 -9.757 11.552 -11.818 417 HZ2 LYS 59 1HZ LYS 59 -9.758 11.681 -10.131 418 HZ3 LYS 59 2HZ LYS 59 -9.866 10.160 -10.862 419 H GLY 60 H GLY 60 -3.116 9.103 -11.145 420 HA2 GLY 60 1HA GLY 60 -1.053 9.911 -13.102 421 HA3 GLY 60 2HA GLY 60 -0.890 8.478 -12.098 422 H ASN 61 H ASN 61 -0.994 8.872 -15.064 423 HA ASN 61 HA ASN 61 -3.461 7.675 -15.922 424 HB2 ASN 61 1HB ASN 61 -0.864 8.303 -17.323 425 HB3 ASN 61 2HB ASN 61 -2.193 7.477 -18.132 426 HD21 ASN 61 1HD2 ASN 61 -0.844 10.236 -18.263 427 HD22 ASN 61 2HD2 ASN 61 -2.183 11.325 -18.325 428 H CYS 62 H CYS 62 -3.775 5.588 -16.715 429 HA CYS 62 HA CYS 62 -2.196 3.562 -15.421 430 HB2 CYS 62 1HB CYS 62 -4.743 3.554 -15.788 431 HB3 CYS 62 2HB CYS 62 -4.376 3.057 -17.437 432 HA PRO 63 HA PRO 63 0.610 2.933 -18.788 433 HB2 PRO 63 1HB PRO 63 1.715 0.629 -17.870 434 HB3 PRO 63 2HB PRO 63 2.103 2.216 -17.195 435 HG2 PRO 63 1HG PRO 63 0.211 0.133 -16.173 436 HG3 PRO 63 2HG PRO 63 1.375 1.125 -15.275 437 HD2 PRO 63 1HD PRO 63 -1.269 1.701 -15.361 438 HD3 PRO 63 2HD PRO 63 -0.022 2.958 -15.243 439 H VAL 64 H VAL 64 -2.208 1.358 -18.292 440 HA VAL 64 HA VAL 64 -1.716 -0.545 -20.492 441 HB VAL 64 HB VAL 64 -3.748 -0.808 -18.270 442 HG11 VAL 64 1HG1 VAL 64 -4.177 -1.739 -20.683 443 HG12 VAL 64 2HG1 VAL 64 -3.051 -2.997 -20.170 444 HG13 VAL 64 3HG1 VAL 64 -4.539 -2.721 -19.264 445 HG21 VAL 64 3HG2 VAL 64 -1.188 -2.320 -18.786 446 HG22 VAL 64 1HG2 VAL 64 -1.496 -1.202 -17.457 447 HG23 VAL 64 2HG2 VAL 64 -2.380 -2.725 -17.551 448 H CYS 65 H CYS 65 -4.273 1.387 -18.931 449 HA CYS 65 HA CYS 65 -5.421 1.847 -21.606 450 HB2 CYS 65 1HB CYS 65 -7.645 1.961 -20.534 451 HB3 CYS 65 2HB CYS 65 -6.894 0.381 -20.338 452 H ARG 66 H ARG 66 -3.521 3.355 -19.739 453 HA ARG 66 HA ARG 66 -3.320 5.458 -18.777 454 HB2 ARG 66 1HB ARG 66 -4.389 6.003 -21.552 455 HB3 ARG 66 2HB ARG 66 -3.594 7.199 -20.536 456 HG2 ARG 66 1HG ARG 66 -2.276 4.628 -21.361 457 HG3 ARG 66 2HG ARG 66 -2.169 6.114 -22.306 458 HD2 ARG 66 1HD ARG 66 -1.087 7.260 -20.510 459 HD3 ARG 66 2HD ARG 66 -1.385 5.919 -19.404 460 HE ARG 66 HE ARG 66 0.134 5.027 -21.607 461 HH11 ARG 66 1HH1 ARG 66 0.402 6.964 -18.727 462 HH12 ARG 66 2HH1 ARG 66 2.096 6.664 -18.525 463 HH21 ARG 66 1HH2 ARG 66 2.365 4.624 -21.353 464 HH22 ARG 66 2HH2 ARG 66 3.212 5.334 -20.020 465 H VAL 67 H VAL 67 -5.459 4.590 -17.546 466 HA VAL 67 HA VAL 67 -7.645 6.491 -18.001 467 HB VAL 67 HB VAL 67 -8.270 4.123 -17.805 468 HG11 VAL 67 1HG1 VAL 67 -8.120 3.086 -15.504 469 HG12 VAL 67 2HG1 VAL 67 -6.599 3.227 -16.389 470 HG13 VAL 67 3HG1 VAL 67 -6.979 4.369 -15.098 471 HG21 VAL 67 3HG2 VAL 67 -10.035 5.481 -17.191 472 HG22 VAL 67 1HG2 VAL 67 -9.852 4.462 -15.762 473 HG23 VAL 67 2HG2 VAL 67 -9.200 6.101 -15.766 474 HA PRO 68 HA PRO 68 -6.290 8.982 -14.612 475 HB2 PRO 68 1HB PRO 68 -8.580 10.397 -14.263 476 HB3 PRO 68 2HB PRO 68 -7.467 10.686 -15.605 477 HG2 PRO 68 1HG PRO 68 -10.020 9.123 -15.565 478 HG3 PRO 68 2HG PRO 68 -9.425 10.262 -16.786 479 HD2 PRO 68 1HD PRO 68 -9.240 7.578 -17.086 480 HD3 PRO 68 2HD PRO 68 -8.033 8.698 -17.750 481 H TYR 69 H TYR 69 -6.023 7.768 -12.799 482 HA TYR 69 HA TYR 69 -8.446 7.145 -11.241 483 HB2 TYR 69 1HB TYR 69 -7.332 5.179 -10.356 484 HB3 TYR 69 2HB TYR 69 -7.333 5.110 -12.114 485 HD1 TYR 69 1HD TYR 69 -5.250 5.621 -9.127 486 HD2 TYR 69 2HD TYR 69 -5.278 5.217 -13.362 487 HE1 TYR 69 1HE TYR 69 -2.810 5.314 -9.108 488 HE2 TYR 69 2HE TYR 69 -2.838 4.908 -13.355 489 HH TYR 69 HH TYR 69 -1.038 4.571 -10.372 490 HA PRO 70 HA PRO 70 -6.702 9.793 -8.168 491 HB2 PRO 70 1HB PRO 70 -8.275 9.029 -6.091 492 HB3 PRO 70 2HB PRO 70 -8.854 10.057 -7.408 493 HG2 PRO 70 1HG PRO 70 -9.213 7.112 -7.006 494 HG3 PRO 70 2HG PRO 70 -10.395 8.321 -7.542 495 HD2 PRO 70 1HD PRO 70 -9.116 6.669 -9.265 496 HD3 PRO 70 2HD PRO 70 -9.604 8.317 -9.707 497 H PHE 71 H PHE 71 -4.627 8.767 -8.083 498 HA PHE 71 HA PHE 71 -3.766 6.466 -7.055 499 HB2 PHE 71 1HB PHE 71 -2.276 8.311 -7.763 500 HB3 PHE 71 2HB PHE 71 -2.609 9.142 -6.247 501 HD1 PHE 71 1HD PHE 71 -1.501 5.763 -7.386 502 HD2 PHE 71 2HD PHE 71 -1.021 8.954 -4.611 503 HE1 PHE 71 1HE PHE 71 0.360 4.554 -6.323 504 HE2 PHE 71 2HE PHE 71 0.841 7.751 -3.544 505 HZ PHE 71 HZ PHE 71 1.534 5.548 -4.401 506 H GLY 72 H GLY 72 -4.022 5.305 -5.265 507 HA2 GLY 72 1HA GLY 72 -3.755 5.399 -2.774 508 HA3 GLY 72 2HA GLY 72 -4.922 6.713 -2.827 509 H ASN 73 H ASN 73 -6.685 5.590 -4.743 510 HA ASN 73 HA ASN 73 -8.153 3.818 -3.012 511 HB2 ASN 73 1HB ASN 73 -8.726 5.038 -5.709 512 HB3 ASN 73 2HB ASN 73 -9.813 3.872 -4.961 513 HD21 ASN 73 1HD2 ASN 73 -11.432 4.756 -3.924 514 HD22 ASN 73 2HD2 ASN 73 -11.421 6.283 -3.115 515 H LEU 74 H LEU 74 -5.805 2.584 -3.685 516 HA LEU 74 HA LEU 74 -6.519 0.620 -5.748 517 HB2 LEU 74 1HB LEU 74 -3.855 0.948 -4.391 518 HB3 LEU 74 2HB LEU 74 -4.213 0.042 -5.860 519 HG LEU 74 HG LEU 74 -4.626 3.005 -5.792 520 HD11 LEU 74 1HD1 LEU 74 -2.343 2.524 -4.924 521 HD12 LEU 74 2HD1 LEU 74 -2.363 3.398 -6.456 522 HD13 LEU 74 3HD1 LEU 74 -2.001 1.672 -6.431 523 HD21 LEU 74 3HD2 LEU 74 -3.658 1.275 -8.045 524 HD22 LEU 74 1HD2 LEU 74 -4.436 2.856 -8.117 525 HD23 LEU 74 2HD2 LEU 74 -5.374 1.431 -7.668 526 H LYS 75 H LYS 75 -6.930 -1.453 -5.258 527 HA LYS 75 HA LYS 75 -6.931 -2.194 -2.428 528 HB2 LYS 75 1HB LYS 75 -8.392 -4.040 -3.113 529 HB3 LYS 75 2HB LYS 75 -9.023 -2.491 -3.657 530 HG2 LYS 75 1HG LYS 75 -7.665 -3.137 -5.843 531 HG3 LYS 75 2HG LYS 75 -7.952 -4.765 -5.225 532 HD2 LYS 75 1HD LYS 75 -9.817 -4.426 -6.545 533 HD3 LYS 75 2HD LYS 75 -10.408 -3.931 -4.957 534 HE2 LYS 75 1HE LYS 75 -9.721 -1.571 -5.615 535 HE3 LYS 75 2HE LYS 75 -9.544 -2.194 -7.255 536 HZ1 LYS 75 3HZ LYS 75 -11.730 -1.188 -6.843 537 HZ2 LYS 75 1HZ LYS 75 -12.038 -2.350 -5.652 538 HZ3 LYS 75 2HZ LYS 75 -11.849 -2.822 -7.265 539 HA PRO 76 HA PRO 76 -3.409 -4.806 -2.841 540 HB2 PRO 76 1HB PRO 76 -3.867 -6.466 -0.742 541 HB3 PRO 76 2HB PRO 76 -3.322 -4.796 -0.545 542 HG2 PRO 76 1HG PRO 76 -6.083 -5.929 -0.304 543 HG3 PRO 76 2HG PRO 76 -5.267 -4.741 0.729 544 HD2 PRO 76 1HD PRO 76 -7.068 -4.032 -1.165 545 HD3 PRO 76 2HD PRO 76 -5.693 -3.000 -0.721 546 H ASN 77 H ASN 77 -3.287 -6.210 -4.480 547 HA ASN 77 HA ASN 77 -5.268 -8.368 -4.666 548 HB2 ASN 77 1HB ASN 77 -4.913 -6.869 -6.644 549 HB3 ASN 77 2HB ASN 77 -3.267 -7.484 -6.755 550 HD21 ASN 77 1HD2 ASN 77 -6.085 -7.716 -8.194 551 HD22 ASN 77 2HD2 ASN 77 -6.084 -9.372 -8.686 552 H LEU 78 H LEU 78 -4.513 -9.929 -3.300 553 HA LEU 78 HA LEU 78 -1.794 -10.943 -3.811 554 HB2 LEU 78 1HB LEU 78 -2.004 -11.978 -1.536 555 HB3 LEU 78 2HB LEU 78 -1.915 -10.219 -1.568 556 HG LEU 78 HG LEU 78 -4.572 -11.589 -1.412 557 HD11 LEU 78 1HD1 LEU 78 -2.479 -11.742 0.563 558 HD12 LEU 78 2HD1 LEU 78 -4.073 -12.495 0.552 559 HD13 LEU 78 3HD1 LEU 78 -3.875 -10.860 1.184 560 HD21 LEU 78 3HD2 LEU 78 -5.337 -9.523 -1.105 561 HD22 LEU 78 1HD2 LEU 78 -3.731 -8.944 -1.547 562 HD23 LEU 78 2HD2 LEU 78 -4.142 -9.194 0.150 563 H HIS 79 H HIS 79 -5.180 -11.754 -3.526 564 HA HIS 79 HA HIS 79 -4.561 -14.535 -4.273 565 HB2 HIS 79 1HB HIS 79 -6.713 -15.162 -3.356 566 HB3 HIS 79 2HB HIS 79 -5.819 -14.245 -2.149 567 HD2 HIS 79 2HD HIS 79 -9.264 -14.456 -2.685 568 HE1 HIS 79 1HE HIS 79 -8.726 -10.252 -2.863 569 HE2 HIS 79 2HE HIS 79 -10.370 -12.125 -2.500 570 H VAL 80 H VAL 80 -4.708 -14.818 -6.397 571 HA VAL 80 HA VAL 80 -6.829 -13.401 -7.869 572 HB VAL 80 HB VAL 80 -4.251 -14.578 -8.916 573 HG11 VAL 80 1HG1 VAL 80 -6.709 -13.774 -10.238 574 HG12 VAL 80 2HG1 VAL 80 -5.299 -12.903 -10.844 575 HG13 VAL 80 3HG1 VAL 80 -5.325 -14.666 -10.869 576 HG21 VAL 80 3HG2 VAL 80 -3.551 -12.639 -7.910 577 HG22 VAL 80 1HG2 VAL 80 -3.999 -12.025 -9.502 578 HG23 VAL 80 2HG2 VAL 80 -5.102 -11.831 -8.139 579 H ALA 81 H ALA 81 -8.471 -14.904 -7.464 580 HA ALA 81 HA ALA 81 -8.104 -17.515 -8.784 581 HB1 ALA 81 3HB ALA 81 -9.691 -18.476 -7.226 582 HB2 ALA 81 1HB ALA 81 -8.360 -17.724 -6.347 583 HB3 ALA 81 2HB ALA 81 -9.920 -16.907 -6.454 584 H ASN 82 H ASN 82 -8.813 -16.588 -10.774 585 HA ASN 82 HA ASN 82 -11.706 -16.031 -10.848 586 HB2 ASN 82 1HB ASN 82 -11.346 -14.569 -12.733 587 HB3 ASN 82 2HB ASN 82 -10.265 -14.075 -11.433 588 HD21 ASN 82 1HD2 ASN 82 -8.038 -14.813 -11.555 589 HD22 ASN 82 2HD2 ASN 82 -7.309 -15.021 -13.108 590 H ILE 83 H ILE 83 -12.936 -17.009 -12.432 591 HA ILE 83 HA ILE 83 -12.458 -19.557 -13.206 592 HB ILE 83 HB ILE 83 -13.996 -19.128 -15.178 593 HG12 ILE 83 1HG1 ILE 83 -14.272 -16.384 -13.953 594 HG13 ILE 83 2HG1 ILE 83 -13.258 -16.696 -15.357 595 HG21 ILE 83 1HG2 ILE 83 -15.928 -18.927 -13.796 596 HG22 ILE 83 2HG2 ILE 83 -14.708 -19.806 -12.876 597 HG23 ILE 83 3HG2 ILE 83 -15.011 -18.103 -12.535 598 HD11 ILE 83 3HD1 ILE 83 -15.197 -17.459 -16.604 599 HD12 ILE 83 1HD1 ILE 83 -16.221 -17.192 -15.193 600 HD13 ILE 83 2HD1 ILE 83 -15.441 -15.824 -15.989 601 H VAL 84 H VAL 84 -11.084 -20.571 -14.506 602 HA VAL 84 HA VAL 84 -9.886 -19.076 -16.743 603 HB VAL 84 HB VAL 84 -7.783 -20.394 -16.349 604 HG11 VAL 84 1HG1 VAL 84 -7.045 -18.520 -15.417 605 HG12 VAL 84 2HG1 VAL 84 -8.717 -18.047 -15.110 606 HG13 VAL 84 3HG1 VAL 84 -7.813 -18.938 -13.886 607 HG21 VAL 84 3HG2 VAL 84 -9.368 -21.765 -14.523 608 HG22 VAL 84 1HG2 VAL 84 -7.624 -21.921 -14.735 609 HG23 VAL 84 2HG2 VAL 84 -8.270 -20.809 -13.527 610 H GLU 85 H GLU 85 -10.308 -20.009 -18.624 611 HA GLU 85 HA GLU 85 -11.252 -21.572 -20.052 612 HB2 GLU 85 1HB GLU 85 -9.652 -23.326 -20.560 613 HB3 GLU 85 2HB GLU 85 -8.805 -21.819 -20.239 614 HG2 GLU 85 1HG GLU 85 -8.386 -22.626 -17.923 615 HG3 GLU 85 2HG GLU 85 -9.082 -24.176 -18.392 Start of MODEL 5 1 H1 GLY 1 H GLY 1 23.312 16.765 -25.863 2 HA2 GLY 1 1HA GLY 1 21.753 14.261 -25.732 3 HA3 GLY 1 2HA GLY 1 23.226 14.369 -26.684 4 H SER 2 H SER 2 22.737 12.524 -24.566 5 HA SER 2 HA SER 2 25.065 13.109 -22.940 6 HB2 SER 2 1HB SER 2 23.911 12.692 -20.806 7 HB3 SER 2 2HB SER 2 23.245 14.106 -21.623 8 HG SER 2 HG SER 2 21.918 11.928 -22.419 9 H SER 3 H SER 3 25.517 11.190 -21.437 10 HA SER 3 HA SER 3 25.224 8.771 -23.033 11 HB2 SER 3 1HB SER 3 26.954 7.840 -21.538 12 HB3 SER 3 2HB SER 3 27.468 9.370 -22.250 13 HG SER 3 HG SER 3 27.350 8.752 -19.698 14 H GLY 4 H GLY 4 25.151 6.685 -21.550 15 HA2 GLY 4 1HA GLY 4 24.161 5.725 -19.551 16 HA3 GLY 4 2HA GLY 4 23.021 7.062 -19.543 17 H SER 5 H SER 5 22.629 4.108 -19.577 18 HA SER 5 HA SER 5 20.501 4.077 -21.506 19 HB2 SER 5 1HB SER 5 22.654 3.430 -22.772 20 HB3 SER 5 2HB SER 5 22.582 1.926 -21.854 21 HG SER 5 HG SER 5 21.276 2.526 -24.060 22 H SER 6 H SER 6 19.486 1.770 -21.526 23 HA SER 6 HA SER 6 19.574 0.721 -18.772 24 HB2 SER 6 1HB SER 6 17.167 0.200 -19.016 25 HB3 SER 6 2HB SER 6 17.486 1.927 -19.174 26 HG SER 6 HG SER 6 17.341 0.225 -21.425 27 H GLY 7 H GLY 7 19.833 -1.422 -18.507 28 HA2 GLY 7 1HA GLY 7 20.053 -3.042 -20.956 29 HA3 GLY 7 2HA GLY 7 20.866 -3.383 -19.436 30 H MET 8 H MET 8 19.808 -5.532 -20.236 31 HA MET 8 HA MET 8 17.763 -6.166 -18.402 32 HB2 MET 8 1HB MET 8 15.906 -6.611 -19.859 33 HB3 MET 8 2HB MET 8 16.404 -4.942 -20.100 34 HG2 MET 8 1HG MET 8 17.793 -5.884 -22.060 35 HG3 MET 8 2HG MET 8 16.744 -7.292 -21.912 36 HE1 MET 8 3HE MET 8 17.239 -3.870 -23.432 37 HE2 MET 8 1HE MET 8 15.638 -3.132 -23.464 38 HE3 MET 8 2HE MET 8 16.485 -3.334 -21.930 39 H ALA 9 H ALA 9 17.330 -8.407 -18.306 40 HA ALA 9 HA ALA 9 18.211 -10.277 -20.223 41 HB1 ALA 9 3HB ALA 9 20.372 -9.238 -19.064 42 HB2 ALA 9 1HB ALA 9 20.005 -10.488 -17.876 43 HB3 ALA 9 2HB ALA 9 20.282 -10.927 -19.562 44 H SER 10 H SER 10 16.831 -11.884 -19.906 45 HA SER 10 HA SER 10 16.505 -13.050 -17.276 46 HB2 SER 10 1HB SER 10 14.351 -11.492 -18.641 47 HB3 SER 10 2HB SER 10 13.898 -12.943 -17.747 48 HG SER 10 HG SER 10 14.754 -12.053 -15.897 49 H SER 11 H SER 11 14.726 -14.881 -17.502 50 HA SER 11 HA SER 11 15.627 -16.521 -19.723 51 HB2 SER 11 1HB SER 11 14.442 -18.350 -18.542 52 HB3 SER 11 2HB SER 11 15.595 -17.521 -17.497 53 HG SER 11 HG SER 11 13.827 -16.333 -16.641 54 H VAL 12 H VAL 12 14.597 -16.213 -21.593 55 HA VAL 12 HA VAL 12 11.666 -15.918 -21.550 56 HB VAL 12 HB VAL 12 13.399 -15.251 -23.913 57 HG11 VAL 12 1HG1 VAL 12 10.935 -15.491 -24.176 58 HG12 VAL 12 2HG1 VAL 12 10.729 -14.158 -23.039 59 HG13 VAL 12 3HG1 VAL 12 11.544 -13.886 -24.580 60 HG21 VAL 12 3HG2 VAL 12 13.791 -13.086 -23.174 61 HG22 VAL 12 1HG2 VAL 12 12.531 -13.172 -21.943 62 HG23 VAL 12 2HG2 VAL 12 14.048 -14.043 -21.715 63 H LEU 13 H LEU 13 12.690 -18.468 -21.253 64 HA LEU 13 HA LEU 13 12.301 -19.687 -23.903 65 HB2 LEU 13 1HB LEU 13 13.572 -21.531 -23.210 66 HB3 LEU 13 2HB LEU 13 14.450 -20.113 -22.643 67 HG LEU 13 HG LEU 13 12.588 -21.444 -20.746 68 HD11 LEU 13 1HD1 LEU 13 14.053 -23.186 -20.195 69 HD12 LEU 13 2HD1 LEU 13 15.356 -22.520 -21.177 70 HD13 LEU 13 3HD1 LEU 13 13.943 -23.232 -21.955 71 HD21 LEU 13 3HD2 LEU 13 15.328 -20.667 -20.008 72 HD22 LEU 13 1HD2 LEU 13 13.797 -20.359 -19.188 73 HD23 LEU 13 2HD2 LEU 13 14.285 -19.350 -20.550 74 H GLU 14 H GLU 14 10.170 -18.745 -22.145 75 HA GLU 14 HA GLU 14 8.607 -21.184 -22.109 76 HB2 GLU 14 1HB GLU 14 7.918 -21.027 -19.811 77 HB3 GLU 14 2HB GLU 14 9.675 -21.088 -19.860 78 HG2 GLU 14 1HG GLU 14 8.133 -18.520 -19.644 79 HG3 GLU 14 2HG GLU 14 8.663 -19.449 -18.243 80 H MET 15 H MET 15 6.309 -20.778 -21.821 81 HA MET 15 HA MET 15 5.228 -18.871 -23.394 82 HB2 MET 15 1HB MET 15 4.117 -20.154 -20.910 83 HB3 MET 15 2HB MET 15 3.158 -19.036 -21.870 84 HG2 MET 15 1HG MET 15 4.457 -21.475 -23.041 85 HG3 MET 15 2HG MET 15 2.843 -21.496 -22.335 86 HE1 MET 15 3HE MET 15 1.000 -21.607 -23.787 87 HE2 MET 15 1HE MET 15 0.993 -21.200 -25.503 88 HE3 MET 15 2HE MET 15 2.064 -22.466 -24.901 89 H ILE 16 H ILE 16 5.303 -16.732 -23.417 90 HA ILE 16 HA ILE 16 5.725 -15.296 -20.891 91 HB ILE 16 HB ILE 16 6.086 -14.302 -23.720 92 HG12 ILE 16 1HG1 ILE 16 7.710 -16.063 -23.030 93 HG13 ILE 16 2HG1 ILE 16 8.465 -14.501 -23.331 94 HG21 ILE 16 1HG2 ILE 16 5.511 -12.676 -21.786 95 HG22 ILE 16 2HG2 ILE 16 7.168 -12.980 -21.266 96 HG23 ILE 16 3HG2 ILE 16 6.856 -12.295 -22.861 97 HD11 ILE 16 3HD1 ILE 16 7.691 -15.398 -20.577 98 HD12 ILE 16 1HD1 ILE 16 9.249 -15.793 -21.302 99 HD13 ILE 16 2HD1 ILE 16 8.798 -14.107 -21.044 100 H LYS 17 H LYS 17 3.525 -15.389 -20.232 101 HA LYS 17 HA LYS 17 1.412 -14.359 -21.840 102 HB2 LYS 17 1HB LYS 17 1.310 -15.951 -19.787 103 HB3 LYS 17 2HB LYS 17 1.320 -14.469 -18.840 104 HG2 LYS 17 1HG LYS 17 -0.941 -15.099 -19.104 105 HG3 LYS 17 2HG LYS 17 -0.672 -13.723 -20.177 106 HD2 LYS 17 1HD LYS 17 -1.812 -15.137 -21.581 107 HD3 LYS 17 2HD LYS 17 -0.147 -15.607 -21.933 108 HE2 LYS 17 1HE LYS 17 -0.598 -17.291 -19.937 109 HE3 LYS 17 2HE LYS 17 -2.270 -17.065 -20.448 110 HZ1 LYS 17 3HZ LYS 17 -0.306 -18.682 -21.615 111 HZ2 LYS 17 1HZ LYS 17 -0.707 -17.474 -22.730 112 HZ3 LYS 17 2HZ LYS 17 -1.914 -18.476 -22.097 113 H GLU 18 H GLU 18 0.852 -12.317 -22.209 114 HA GLU 18 HA GLU 18 2.091 -10.217 -20.566 115 HB2 GLU 18 1HB GLU 18 1.104 -10.248 -23.411 116 HB3 GLU 18 2HB GLU 18 1.419 -8.744 -22.556 117 HG2 GLU 18 1HG GLU 18 3.746 -9.724 -22.103 118 HG3 GLU 18 2HG GLU 18 3.351 -10.876 -23.377 119 H GLU 19 H GLU 19 -0.306 -11.685 -19.799 120 HA GLU 19 HA GLU 19 -2.216 -9.441 -19.759 121 HB2 GLU 19 1HB GLU 19 -2.664 -12.362 -20.193 122 HB3 GLU 19 2HB GLU 19 -3.900 -11.437 -19.352 123 HG2 GLU 19 1HG GLU 19 -3.987 -9.884 -21.273 124 HG3 GLU 19 2HG GLU 19 -2.839 -10.920 -22.119 125 H VAL 20 H VAL 20 -0.948 -12.253 -18.028 126 HA VAL 20 HA VAL 20 -2.140 -11.305 -15.534 127 HB VAL 20 HB VAL 20 -1.318 -13.408 -14.559 128 HG11 VAL 20 1HG1 VAL 20 -2.565 -14.687 -16.772 129 HG12 VAL 20 2HG1 VAL 20 -3.262 -14.258 -15.209 130 HG13 VAL 20 3HG1 VAL 20 -3.316 -13.108 -16.545 131 HG21 VAL 20 3HG2 VAL 20 -0.372 -15.134 -16.085 132 HG22 VAL 20 1HG2 VAL 20 -0.225 -13.890 -17.327 133 HG23 VAL 20 2HG2 VAL 20 0.692 -13.752 -15.827 134 H THR 21 H THR 21 1.010 -11.864 -17.018 135 HA THR 21 HA THR 21 2.512 -11.171 -14.686 136 HB THR 21 HB THR 21 3.567 -11.061 -17.505 137 HG1 THR 21 1HG THR 21 3.665 -13.225 -17.546 138 HG21 THR 21 3HG2 THR 21 4.734 -10.655 -15.008 139 HG22 THR 21 1HG2 THR 21 5.574 -10.918 -16.535 140 HG23 THR 21 2HG2 THR 21 5.226 -12.283 -15.474 141 H CYS 22 H CYS 22 3.410 -9.253 -14.100 142 HA CYS 22 HA CYS 22 2.253 -6.863 -14.560 143 HB2 CYS 22 1HB CYS 22 4.153 -7.413 -12.950 144 HB3 CYS 22 2HB CYS 22 5.249 -7.079 -14.286 145 HA PRO 23 HA PRO 23 3.024 -6.121 -18.890 146 HB2 PRO 23 1HB PRO 23 1.695 -3.756 -18.996 147 HB3 PRO 23 2HB PRO 23 0.872 -5.321 -18.979 148 HG2 PRO 23 1HG PRO 23 1.350 -3.408 -16.727 149 HG3 PRO 23 2HG PRO 23 -0.115 -4.324 -17.125 150 HD2 PRO 23 1HD PRO 23 1.606 -5.099 -15.183 151 HD3 PRO 23 2HD PRO 23 0.681 -6.259 -16.158 152 H ILE 24 H ILE 24 4.489 -4.786 -16.298 153 HA ILE 24 HA ILE 24 5.858 -2.717 -17.886 154 HB ILE 24 HB ILE 24 5.553 -2.955 -14.893 155 HG12 ILE 24 1HG1 ILE 24 4.770 -0.560 -16.495 156 HG13 ILE 24 2HG1 ILE 24 3.729 -1.978 -16.555 157 HG21 ILE 24 1HG2 ILE 24 7.341 -1.672 -14.607 158 HG22 ILE 24 2HG2 ILE 24 7.690 -1.833 -16.327 159 HG23 ILE 24 3HG2 ILE 24 6.717 -0.482 -15.748 160 HD11 ILE 24 3HD1 ILE 24 4.367 -1.464 -13.841 161 HD12 ILE 24 1HD1 ILE 24 3.844 0.045 -14.589 162 HD13 ILE 24 2HD1 ILE 24 2.801 -1.376 -14.647 163 H CYS 25 H CYS 25 6.655 -4.714 -15.039 164 HA CYS 25 HA CYS 25 9.395 -4.950 -15.931 165 HB2 CYS 25 1HB CYS 25 9.737 -6.181 -13.825 166 HB3 CYS 25 2HB CYS 25 8.931 -4.639 -13.553 167 H LEU 26 H LEU 26 6.492 -6.813 -16.063 168 HA LEU 26 HA LEU 26 5.986 -8.787 -17.073 169 HB2 LEU 26 1HB LEU 26 8.812 -8.790 -18.106 170 HB3 LEU 26 2HB LEU 26 7.428 -9.656 -18.768 171 HG LEU 26 HG LEU 26 7.649 -6.651 -18.729 172 HD11 LEU 26 1HD1 LEU 26 9.463 -7.652 -20.061 173 HD12 LEU 26 2HD1 LEU 26 8.298 -6.774 -21.052 174 HD13 LEU 26 3HD1 LEU 26 8.260 -8.536 -21.001 175 HD21 LEU 26 3HD2 LEU 26 6.026 -7.744 -20.804 176 HD22 LEU 26 1HD2 LEU 26 5.561 -6.680 -19.476 177 HD23 LEU 26 2HD2 LEU 26 5.520 -8.430 -19.259 178 H GLU 27 H GLU 27 6.728 -8.885 -14.425 179 HA GLU 27 HA GLU 27 7.877 -11.572 -14.279 180 HB2 GLU 27 1HB GLU 27 8.880 -9.133 -12.855 181 HB3 GLU 27 2HB GLU 27 9.022 -10.710 -12.092 182 HG2 GLU 27 1HG GLU 27 9.996 -10.368 -14.882 183 HG3 GLU 27 2HG GLU 27 10.961 -9.734 -13.550 184 H LEU 28 H LEU 28 7.561 -12.500 -12.018 185 HA LEU 28 HA LEU 28 4.901 -12.708 -11.399 186 HB2 LEU 28 1HB LEU 28 7.383 -13.155 -9.795 187 HB3 LEU 28 2HB LEU 28 5.802 -13.344 -9.041 188 HG LEU 28 HG LEU 28 6.774 -14.886 -11.446 189 HD11 LEU 28 1HD1 LEU 28 8.031 -15.808 -9.770 190 HD12 LEU 28 2HD1 LEU 28 6.556 -16.763 -9.626 191 HD13 LEU 28 3HD1 LEU 28 6.849 -15.424 -8.518 192 HD21 LEU 28 3HD2 LEU 28 4.558 -15.985 -9.944 193 HD22 LEU 28 1HD2 LEU 28 4.707 -15.677 -11.674 194 HD23 LEU 28 2HD2 LEU 28 4.181 -14.387 -10.592 195 H LEU 29 H LEU 29 3.465 -11.298 -10.672 196 HA LEU 29 HA LEU 29 4.117 -8.740 -9.704 197 HB2 LEU 29 1HB LEU 29 1.548 -10.297 -9.454 198 HB3 LEU 29 2HB LEU 29 1.724 -8.575 -9.123 199 HG LEU 29 HG LEU 29 2.482 -9.575 -11.823 200 HD11 LEU 29 1HD1 LEU 29 0.147 -9.340 -12.571 201 HD12 LEU 29 2HD1 LEU 29 -0.359 -9.190 -10.889 202 HD13 LEU 29 3HD1 LEU 29 0.370 -10.691 -11.459 203 HD21 LEU 29 3HD2 LEU 29 2.044 -7.412 -12.488 204 HD22 LEU 29 1HD2 LEU 29 2.633 -7.164 -10.844 205 HD23 LEU 29 2HD2 LEU 29 0.901 -7.124 -11.175 206 H LYS 30 H LYS 30 4.801 -8.116 -7.774 207 HA LYS 30 HA LYS 30 4.461 -9.936 -5.496 208 HB2 LYS 30 1HB LYS 30 6.769 -9.299 -6.044 209 HB3 LYS 30 2HB LYS 30 6.349 -7.601 -5.860 210 HG2 LYS 30 1HG LYS 30 6.045 -7.827 -3.532 211 HG3 LYS 30 2HG LYS 30 6.061 -9.589 -3.627 212 HD2 LYS 30 1HD LYS 30 8.428 -7.924 -4.440 213 HD3 LYS 30 2HD LYS 30 8.176 -8.442 -2.772 214 HE2 LYS 30 1HE LYS 30 8.507 -10.667 -3.273 215 HE3 LYS 30 2HE LYS 30 8.054 -10.462 -4.965 216 HZ1 LYS 30 3HZ LYS 30 10.462 -10.849 -4.587 217 HZ2 LYS 30 1HZ LYS 30 10.543 -9.363 -3.781 218 HZ3 LYS 30 2HZ LYS 30 10.126 -9.415 -5.420 219 H GLU 31 H GLU 31 2.751 -9.494 -4.272 220 HA GLU 31 HA GLU 31 1.063 -8.343 -3.244 221 HB2 GLU 31 1HB GLU 31 3.554 -6.805 -2.582 222 HB3 GLU 31 2HB GLU 31 1.993 -6.275 -1.970 223 HG2 GLU 31 1HG GLU 31 3.214 -7.653 -0.357 224 HG3 GLU 31 2HG GLU 31 1.678 -8.376 -0.830 225 HA PRO 32 HA PRO 32 0.891 -5.170 -6.752 226 HB2 PRO 32 1HB PRO 32 -0.972 -6.445 -8.260 227 HB3 PRO 32 2HB PRO 32 0.765 -6.708 -8.454 228 HG2 PRO 32 1HG PRO 32 -1.248 -8.366 -6.984 229 HG3 PRO 32 2HG PRO 32 0.068 -8.889 -8.051 230 HD2 PRO 32 1HD PRO 32 0.261 -8.970 -5.351 231 HD3 PRO 32 2HD PRO 32 1.662 -8.670 -6.400 232 H VAL 33 H VAL 33 -1.046 -3.937 -7.400 233 HA VAL 33 HA VAL 33 -3.314 -4.268 -5.557 234 HB VAL 33 HB VAL 33 -3.433 -1.849 -5.216 235 HG11 VAL 33 1HG1 VAL 33 -2.312 -2.465 -3.385 236 HG12 VAL 33 2HG1 VAL 33 -1.241 -3.532 -4.296 237 HG13 VAL 33 3HG1 VAL 33 -0.884 -1.808 -4.184 238 HG21 VAL 33 3HG2 VAL 33 -2.440 -1.034 -7.239 239 HG22 VAL 33 1HG2 VAL 33 -1.483 -0.443 -5.881 240 HG23 VAL 33 2HG2 VAL 33 -0.898 -1.796 -6.848 241 H SER 34 H SER 34 -5.207 -4.275 -6.570 242 HA SER 34 HA SER 34 -5.392 -3.892 -9.379 243 HB2 SER 34 1HB SER 34 -7.346 -4.489 -7.188 244 HB3 SER 34 2HB SER 34 -7.950 -4.017 -8.776 245 HG SER 34 HG SER 34 -7.440 -6.383 -8.191 246 H ALA 35 H ALA 35 -6.810 -2.383 -10.478 247 HA ALA 35 HA ALA 35 -7.179 0.157 -9.037 248 HB1 ALA 35 3HB ALA 35 -6.287 0.037 -11.904 249 HB2 ALA 35 1HB ALA 35 -6.298 1.423 -10.814 250 HB3 ALA 35 2HB ALA 35 -5.147 0.110 -10.560 251 H ASP 36 H ASP 36 -8.536 1.697 -10.540 252 HA ASP 36 HA ASP 36 -11.110 0.703 -10.696 253 HB2 ASP 36 1HB ASP 36 -10.569 3.105 -10.663 254 HB3 ASP 36 2HB ASP 36 -9.933 2.983 -12.301 255 H CYS 37 H CYS 37 -8.587 0.739 -13.139 256 HA CYS 37 HA CYS 37 -10.379 -0.334 -15.164 257 HB2 CYS 37 1HB CYS 37 -8.293 -0.305 -16.586 258 HB3 CYS 37 2HB CYS 37 -8.805 1.267 -15.978 259 H ASN 38 H ASN 38 -10.084 -1.973 -12.899 260 HA ASN 38 HA ASN 38 -9.322 -4.029 -12.170 261 HB2 ASN 38 1HB ASN 38 -10.378 -4.372 -14.959 262 HB3 ASN 38 2HB ASN 38 -9.773 -5.765 -14.067 263 HD21 ASN 38 1HD2 ASN 38 -11.570 -6.852 -13.593 264 HD22 ASN 38 2HD2 ASN 38 -12.919 -6.211 -12.725 265 H HIS 39 H HIS 39 -7.127 -2.462 -12.949 266 HA HIS 39 HA HIS 39 -5.357 -4.507 -14.120 267 HB2 HIS 39 1HB HIS 39 -5.278 -1.506 -14.437 268 HB3 HIS 39 2HB HIS 39 -3.927 -2.551 -14.865 269 HD2 HIS 39 2HD HIS 39 -6.347 -4.770 -16.157 270 HE1 HIS 39 1HE HIS 39 -6.402 -1.709 -19.094 271 HE2 HIS 39 2HE HIS 39 -7.110 -4.057 -18.524 272 H SER 40 H SER 40 -3.914 -5.270 -12.736 273 HA SER 40 HA SER 40 -3.158 -3.602 -10.429 274 HB2 SER 40 1HB SER 40 -2.502 -5.853 -9.403 275 HB3 SER 40 2HB SER 40 -4.228 -5.552 -9.607 276 HG SER 40 HG SER 40 -4.174 -7.395 -10.622 277 H PHE 41 H PHE 41 -0.978 -3.602 -9.734 278 HA PHE 41 HA PHE 41 1.016 -4.796 -11.486 279 HB2 PHE 41 1HB PHE 41 1.241 -1.859 -10.884 280 HB3 PHE 41 2HB PHE 41 2.084 -2.801 -12.109 281 HD1 PHE 41 1HD PHE 41 -1.084 -1.177 -11.218 282 HD2 PHE 41 2HD PHE 41 1.096 -3.233 -14.241 283 HE1 PHE 41 1HE PHE 41 -2.764 -0.501 -12.885 284 HE2 PHE 41 2HE PHE 41 -0.579 -2.559 -15.912 285 HZ PHE 41 HZ PHE 41 -2.512 -1.191 -15.235 286 H CYS 42 H CYS 42 3.199 -4.663 -10.600 287 HA CYS 42 HA CYS 42 3.432 -5.477 -8.006 288 HB2 CYS 42 1HB CYS 42 5.522 -3.875 -9.496 289 HB3 CYS 42 2HB CYS 42 5.809 -4.981 -8.157 290 H ARG 43 H ARG 43 3.231 -4.564 -6.073 291 HA ARG 43 HA ARG 43 2.223 -2.182 -5.434 292 HB2 ARG 43 1HB ARG 43 3.142 -4.120 -3.919 293 HB3 ARG 43 2HB ARG 43 4.552 -3.078 -3.781 294 HG2 ARG 43 1HG ARG 43 3.439 -1.494 -2.570 295 HG3 ARG 43 2HG ARG 43 1.872 -1.898 -3.276 296 HD2 ARG 43 1HD ARG 43 1.801 -2.630 -1.026 297 HD3 ARG 43 2HD ARG 43 1.998 -4.077 -2.015 298 HE ARG 43 HE ARG 43 4.105 -4.378 -1.122 299 HH11 ARG 43 1HH1 ARG 43 2.827 -1.282 -0.173 300 HH12 ARG 43 2HH1 ARG 43 4.056 -0.992 1.014 301 HH21 ARG 43 1HH2 ARG 43 5.728 -4.008 0.437 302 HH22 ARG 43 2HH2 ARG 43 5.706 -2.544 1.360 303 H ALA 44 H ALA 44 5.634 -2.741 -6.167 304 HA ALA 44 HA ALA 44 6.392 -0.013 -5.679 305 HB1 ALA 44 3HB ALA 44 8.006 -1.788 -5.349 306 HB2 ALA 44 1HB ALA 44 7.878 -2.254 -7.045 307 HB3 ALA 44 2HB ALA 44 8.567 -0.690 -6.609 308 H CYS 45 H CYS 45 6.299 -2.009 -8.640 309 HA CYS 45 HA CYS 45 6.880 -0.222 -10.564 310 HB2 CYS 45 1HB CYS 45 4.749 -2.348 -10.525 311 HB3 CYS 45 2HB CYS 45 5.060 -1.390 -11.969 312 H ILE 46 H ILE 46 3.496 -0.739 -9.555 313 HA ILE 46 HA ILE 46 2.306 1.339 -10.866 314 HB ILE 46 HB ILE 46 1.031 -0.288 -9.574 315 HG12 ILE 46 1HG1 ILE 46 -0.429 1.482 -8.282 316 HG13 ILE 46 2HG1 ILE 46 0.646 2.637 -9.063 317 HG21 ILE 46 1HG2 ILE 46 1.157 -0.586 -7.329 318 HG22 ILE 46 2HG2 ILE 46 2.778 0.057 -7.589 319 HG23 ILE 46 3HG2 ILE 46 1.493 1.116 -7.011 320 HD11 ILE 46 3HD1 ILE 46 -1.653 1.442 -10.114 321 HD12 ILE 46 1HD1 ILE 46 -0.500 2.487 -10.944 322 HD13 ILE 46 2HD1 ILE 46 -0.291 0.736 -10.983 323 H THR 47 H THR 47 4.148 1.478 -7.872 324 HA THR 47 HA THR 47 3.516 4.183 -7.252 325 HB THR 47 HB THR 47 5.904 2.553 -6.365 326 HG1 THR 47 1HG THR 47 3.968 1.570 -5.723 327 HG21 THR 47 3HG2 THR 47 6.084 4.119 -4.539 328 HG22 THR 47 1HG2 THR 47 4.650 4.986 -5.089 329 HG23 THR 47 2HG2 THR 47 6.123 5.013 -6.059 330 H LEU 48 H LEU 48 6.639 2.794 -8.285 331 HA LEU 48 HA LEU 48 7.902 5.175 -8.901 332 HB2 LEU 48 1HB LEU 48 8.217 2.402 -10.005 333 HB3 LEU 48 2HB LEU 48 9.241 3.733 -10.538 334 HG LEU 48 HG LEU 48 9.032 3.032 -7.631 335 HD11 LEU 48 1HD1 LEU 48 9.617 0.944 -8.578 336 HD12 LEU 48 2HD1 LEU 48 11.117 1.671 -8.005 337 HD13 LEU 48 3HD1 LEU 48 10.728 1.695 -9.724 338 HD21 LEU 48 3HD2 LEU 48 10.717 4.481 -7.371 339 HD22 LEU 48 1HD2 LEU 48 10.264 5.073 -8.970 340 HD23 LEU 48 2HD2 LEU 48 11.567 3.896 -8.803 341 H ASN 49 H ASN 49 6.255 2.988 -11.191 342 HA ASN 49 HA ASN 49 6.504 4.341 -13.522 343 HB2 ASN 49 1HB ASN 49 5.220 2.193 -13.111 344 HB3 ASN 49 2HB ASN 49 3.854 3.196 -12.632 345 HD21 ASN 49 1HD2 ASN 49 5.607 1.852 -15.213 346 HD22 ASN 49 2HD2 ASN 49 4.701 2.554 -16.505 347 H TYR 50 H TYR 50 4.032 5.000 -11.050 348 HA TYR 50 HA TYR 50 2.755 7.107 -12.371 349 HB2 TYR 50 1HB TYR 50 1.616 6.223 -10.518 350 HB3 TYR 50 2HB TYR 50 3.023 6.362 -9.470 351 HD1 TYR 50 1HD TYR 50 3.626 8.511 -8.474 352 HD2 TYR 50 2HD TYR 50 0.166 8.114 -10.918 353 HE1 TYR 50 1HE TYR 50 2.795 10.669 -7.637 354 HE2 TYR 50 2HE TYR 50 -0.674 10.272 -10.089 355 HH TYR 50 HH TYR 50 1.117 12.125 -7.645 356 H GLU 51 H GLU 51 5.303 7.234 -9.881 357 HA GLU 51 HA GLU 51 5.734 9.827 -9.472 358 HB2 GLU 51 1HB GLU 51 7.881 7.822 -10.181 359 HB3 GLU 51 2HB GLU 51 8.188 9.384 -9.436 360 HG2 GLU 51 1HG GLU 51 6.833 8.717 -7.505 361 HG3 GLU 51 2HG GLU 51 6.571 7.140 -8.249 362 H SER 52 H SER 52 6.630 8.144 -12.450 363 HA SER 52 HA SER 52 7.435 10.692 -13.653 364 HB2 SER 52 1HB SER 52 7.927 7.814 -14.337 365 HB3 SER 52 2HB SER 52 8.067 9.045 -15.593 366 HG SER 52 HG SER 52 9.344 9.589 -13.192 367 H ASN 53 H ASN 53 4.971 8.247 -13.769 368 HA ASN 53 HA ASN 53 3.840 9.226 -16.251 369 HB2 ASN 53 1HB ASN 53 3.173 7.015 -14.339 370 HB3 ASN 53 2HB ASN 53 1.961 7.558 -15.496 371 HD21 ASN 53 1HD2 ASN 53 5.465 6.996 -15.608 372 HD22 ASN 53 2HD2 ASN 53 5.427 5.980 -17.004 373 H ARG 54 H ARG 54 4.048 10.932 -13.788 374 HA ARG 54 HA ARG 54 1.460 11.325 -12.718 375 HB2 ARG 54 1HB ARG 54 3.996 12.910 -12.764 376 HB3 ARG 54 2HB ARG 54 2.512 13.691 -12.236 377 HG2 ARG 54 1HG ARG 54 2.237 12.103 -10.461 378 HG3 ARG 54 2HG ARG 54 3.602 11.151 -11.048 379 HD2 ARG 54 1HD ARG 54 4.952 13.334 -10.729 380 HD3 ARG 54 2HD ARG 54 3.600 13.833 -9.714 381 HE ARG 54 HE ARG 54 4.191 11.450 -8.670 382 HH11 ARG 54 1HH1 ARG 54 6.227 14.129 -9.562 383 HH12 ARG 54 2HH1 ARG 54 7.421 13.794 -8.352 384 HH21 ARG 54 1HH2 ARG 54 5.755 10.999 -7.072 385 HH22 ARG 54 2HH2 ARG 54 7.152 12.013 -6.937 386 H ASN 55 H ASN 55 0.544 13.726 -12.915 387 HA ASN 55 HA ASN 55 0.475 14.538 -15.728 388 HB2 ASN 55 1HB ASN 55 -1.420 12.959 -15.303 389 HB3 ASN 55 2HB ASN 55 -2.031 14.085 -14.095 390 HD21 ASN 55 1HD2 ASN 55 -3.365 15.629 -14.737 391 HD22 ASN 55 2HD2 ASN 55 -3.665 16.079 -16.378 392 H THR 56 H THR 56 0.208 16.699 -16.051 393 HA THR 56 HA THR 56 0.996 18.570 -14.283 394 HB THR 56 HB THR 56 0.603 19.135 -16.609 395 HG1 THR 56 1HG THR 56 -0.370 21.188 -16.242 396 HG21 THR 56 3HG2 THR 56 -1.410 19.071 -17.677 397 HG22 THR 56 1HG2 THR 56 -2.319 19.481 -16.223 398 HG23 THR 56 2HG2 THR 56 -1.725 17.837 -16.458 399 H ASP 57 H ASP 57 -2.275 17.292 -14.576 400 HA ASP 57 HA ASP 57 -3.465 19.104 -12.734 401 HB2 ASP 57 1HB ASP 57 -4.625 17.645 -14.507 402 HB3 ASP 57 2HB ASP 57 -4.501 16.340 -13.330 403 H GLY 58 H GLY 58 -2.231 15.786 -12.441 404 HA2 GLY 58 1HA GLY 58 -1.009 15.737 -10.113 405 HA3 GLY 58 2HA GLY 58 -2.667 15.878 -9.548 406 H LYS 59 H LYS 59 -3.875 14.247 -11.541 407 HA LYS 59 HA LYS 59 -3.496 11.696 -10.358 408 HB2 LYS 59 1HB LYS 59 -4.969 12.442 -12.892 409 HB3 LYS 59 2HB LYS 59 -5.110 10.908 -12.042 410 HG2 LYS 59 1HG LYS 59 -5.952 12.160 -10.062 411 HG3 LYS 59 2HG LYS 59 -5.956 13.621 -11.052 412 HD2 LYS 59 1HD LYS 59 -8.146 12.872 -11.232 413 HD3 LYS 59 2HD LYS 59 -7.392 12.218 -12.688 414 HE2 LYS 59 1HE LYS 59 -6.967 10.114 -11.290 415 HE3 LYS 59 2HE LYS 59 -8.127 10.792 -10.149 416 HZ1 LYS 59 3HZ LYS 59 -8.628 10.105 -12.993 417 HZ2 LYS 59 1HZ LYS 59 -9.738 10.906 -11.998 418 HZ3 LYS 59 2HZ LYS 59 -9.263 9.325 -11.632 419 H GLY 60 H GLY 60 -3.125 9.695 -11.721 420 HA2 GLY 60 1HA GLY 60 -0.791 10.180 -13.461 421 HA3 GLY 60 2HA GLY 60 -1.027 8.737 -12.487 422 H ASN 61 H ASN 61 -0.432 8.008 -14.837 423 HA ASN 61 HA ASN 61 -2.976 7.427 -16.201 424 HB2 ASN 61 1HB ASN 61 -0.316 8.178 -17.404 425 HB3 ASN 61 2HB ASN 61 -1.551 7.332 -18.331 426 HD21 ASN 61 1HD2 ASN 61 -3.653 8.372 -18.507 427 HD22 ASN 61 2HD2 ASN 61 -3.730 10.098 -18.542 428 H CYS 62 H CYS 62 -3.241 5.360 -17.010 429 HA CYS 62 HA CYS 62 -1.626 3.329 -15.761 430 HB2 CYS 62 1HB CYS 62 -4.151 3.240 -16.050 431 HB3 CYS 62 2HB CYS 62 -3.853 2.900 -17.751 432 HA PRO 63 HA PRO 63 1.156 2.911 -19.195 433 HB2 PRO 63 1HB PRO 63 2.454 0.714 -18.268 434 HB3 PRO 63 2HB PRO 63 2.741 2.339 -17.633 435 HG2 PRO 63 1HG PRO 63 1.039 0.143 -16.518 436 HG3 PRO 63 2HG PRO 63 2.150 1.237 -15.673 437 HD2 PRO 63 1HD PRO 63 -0.531 1.614 -15.693 438 HD3 PRO 63 2HD PRO 63 0.622 2.962 -15.634 439 H VAL 64 H VAL 64 -1.555 1.232 -18.680 440 HA VAL 64 HA VAL 64 -0.962 -0.731 -20.800 441 HB VAL 64 HB VAL 64 -2.944 -1.009 -18.535 442 HG11 VAL 64 1HG1 VAL 64 -3.856 -2.807 -19.543 443 HG12 VAL 64 2HG1 VAL 64 -3.271 -2.028 -21.015 444 HG13 VAL 64 3HG1 VAL 64 -2.327 -3.313 -20.261 445 HG21 VAL 64 3HG2 VAL 64 -1.498 -2.939 -17.903 446 HG22 VAL 64 1HG2 VAL 64 -0.339 -2.408 -19.122 447 HG23 VAL 64 2HG2 VAL 64 -0.707 -1.371 -17.744 448 H CYS 65 H CYS 65 -3.692 0.999 -19.285 449 HA CYS 65 HA CYS 65 -4.939 1.189 -21.943 450 HB2 CYS 65 1HB CYS 65 -7.050 1.616 -20.705 451 HB3 CYS 65 2HB CYS 65 -6.342 0.048 -20.331 452 H ARG 66 H ARG 66 -3.308 2.975 -19.599 453 HA ARG 66 HA ARG 66 -2.857 5.188 -19.336 454 HB2 ARG 66 1HB ARG 66 -4.050 5.434 -22.104 455 HB3 ARG 66 2HB ARG 66 -3.044 6.633 -21.302 456 HG2 ARG 66 1HG ARG 66 -2.042 3.855 -21.795 457 HG3 ARG 66 2HG ARG 66 -1.965 5.097 -23.047 458 HD2 ARG 66 1HD ARG 66 -0.855 6.532 -21.189 459 HD3 ARG 66 2HD ARG 66 -0.569 4.980 -20.403 460 HE ARG 66 HE ARG 66 0.289 4.992 -23.127 461 HH11 ARG 66 1HH1 ARG 66 1.172 5.933 -19.893 462 HH12 ARG 66 2HH1 ARG 66 2.876 5.887 -20.205 463 HH21 ARG 66 1HH2 ARG 66 2.530 4.928 -23.550 464 HH22 ARG 66 2HH2 ARG 66 3.647 5.316 -22.285 465 H VAL 67 H VAL 67 -5.016 4.505 -17.971 466 HA VAL 67 HA VAL 67 -7.048 6.554 -18.563 467 HB VAL 67 HB VAL 67 -7.817 4.160 -18.455 468 HG11 VAL 67 1HG1 VAL 67 -6.286 3.547 -16.571 469 HG12 VAL 67 2HG1 VAL 67 -7.353 4.448 -15.492 470 HG13 VAL 67 3HG1 VAL 67 -7.960 3.035 -16.357 471 HG21 VAL 67 3HG2 VAL 67 -9.410 5.935 -18.186 472 HG22 VAL 67 1HG2 VAL 67 -9.779 4.673 -17.011 473 HG23 VAL 67 2HG2 VAL 67 -8.959 6.146 -16.494 474 HA PRO 68 HA PRO 68 -5.660 8.768 -15.003 475 HB2 PRO 68 1HB PRO 68 -7.827 10.375 -14.699 476 HB3 PRO 68 2HB PRO 68 -6.626 10.613 -15.974 477 HG2 PRO 68 1HG PRO 68 -9.309 9.293 -16.121 478 HG3 PRO 68 2HG PRO 68 -8.553 10.420 -17.262 479 HD2 PRO 68 1HD PRO 68 -8.598 7.743 -17.671 480 HD3 PRO 68 2HD PRO 68 -7.263 8.772 -18.228 481 H TYR 69 H TYR 69 -5.595 7.475 -13.230 482 HA TYR 69 HA TYR 69 -8.148 6.952 -11.851 483 HB2 TYR 69 1HB TYR 69 -7.091 4.957 -10.874 484 HB3 TYR 69 2HB TYR 69 -7.112 4.879 -12.632 485 HD1 TYR 69 1HD TYR 69 -4.972 5.396 -9.676 486 HD2 TYR 69 2HD TYR 69 -5.078 4.842 -13.893 487 HE1 TYR 69 1HE TYR 69 -2.544 5.004 -9.679 488 HE2 TYR 69 2HE TYR 69 -2.651 4.448 -13.908 489 HH TYR 69 HH TYR 69 -0.678 5.057 -12.448 490 HA PRO 70 HA PRO 70 -6.641 9.367 -8.495 491 HB2 PRO 70 1HB PRO 70 -8.141 8.312 -6.493 492 HB3 PRO 70 2HB PRO 70 -8.808 9.383 -7.731 493 HG2 PRO 70 1HG PRO 70 -8.907 6.396 -7.556 494 HG3 PRO 70 2HG PRO 70 -10.191 7.533 -8.006 495 HD2 PRO 70 1HD PRO 70 -8.773 6.136 -9.842 496 HD3 PRO 70 2HD PRO 70 -9.404 7.764 -10.160 497 H PHE 71 H PHE 71 -4.678 9.101 -7.648 498 HA PHE 71 HA PHE 71 -3.542 6.593 -7.016 499 HB2 PHE 71 1HB PHE 71 -2.372 8.824 -7.608 500 HB3 PHE 71 2HB PHE 71 -2.538 9.197 -5.896 501 HD1 PHE 71 1HD PHE 71 -1.126 6.722 -8.264 502 HD2 PHE 71 2HD PHE 71 -1.019 8.355 -4.335 503 HE1 PHE 71 1HE PHE 71 0.927 5.450 -7.795 504 HE2 PHE 71 2HE PHE 71 1.035 7.086 -3.860 505 HZ PHE 71 HZ PHE 71 2.011 5.632 -5.591 506 H GLY 72 H GLY 72 -3.471 5.440 -5.175 507 HA2 GLY 72 1HA GLY 72 -3.381 5.340 -2.756 508 HA3 GLY 72 2HA GLY 72 -4.482 6.710 -2.712 509 H ASN 73 H ASN 73 -6.228 5.635 -4.787 510 HA ASN 73 HA ASN 73 -7.833 3.948 -3.081 511 HB2 ASN 73 1HB ASN 73 -8.637 5.853 -4.658 512 HB3 ASN 73 2HB ASN 73 -8.525 4.632 -5.923 513 HD21 ASN 73 1HD2 ASN 73 -10.695 4.534 -6.321 514 HD22 ASN 73 2HD2 ASN 73 -11.835 3.882 -5.198 515 H LEU 74 H LEU 74 -5.433 2.705 -3.828 516 HA LEU 74 HA LEU 74 -6.213 0.733 -5.849 517 HB2 LEU 74 1HB LEU 74 -3.558 1.188 -4.495 518 HB3 LEU 74 2HB LEU 74 -3.871 0.019 -5.776 519 HG LEU 74 HG LEU 74 -4.355 2.933 -6.256 520 HD11 LEU 74 1HD1 LEU 74 -1.708 1.516 -6.214 521 HD12 LEU 74 2HD1 LEU 74 -2.154 3.041 -5.450 522 HD13 LEU 74 3HD1 LEU 74 -1.995 2.947 -7.204 523 HD21 LEU 74 3HD2 LEU 74 -4.165 0.456 -7.812 524 HD22 LEU 74 1HD2 LEU 74 -3.298 1.827 -8.505 525 HD23 LEU 74 2HD2 LEU 74 -5.023 1.957 -8.162 526 H LYS 75 H LYS 75 -6.922 -1.210 -5.280 527 HA LYS 75 HA LYS 75 -6.857 -1.986 -2.478 528 HB2 LYS 75 1HB LYS 75 -8.191 -3.314 -4.844 529 HB3 LYS 75 2HB LYS 75 -8.402 -3.772 -3.159 530 HG2 LYS 75 1HG LYS 75 -9.615 -1.849 -2.660 531 HG3 LYS 75 2HG LYS 75 -9.041 -1.001 -4.099 532 HD2 LYS 75 1HD LYS 75 -10.271 -2.855 -5.406 533 HD3 LYS 75 2HD LYS 75 -11.100 -3.172 -3.880 534 HE2 LYS 75 1HE LYS 75 -10.998 -0.494 -5.265 535 HE3 LYS 75 2HE LYS 75 -12.339 -1.633 -5.378 536 HZ1 LYS 75 3HZ LYS 75 -11.380 -0.622 -2.771 537 HZ2 LYS 75 1HZ LYS 75 -12.866 -1.342 -3.139 538 HZ3 LYS 75 2HZ LYS 75 -12.528 0.224 -3.681 539 HA PRO 76 HA PRO 76 -3.389 -4.674 -2.994 540 HB2 PRO 76 1HB PRO 76 -3.691 -6.099 -0.702 541 HB3 PRO 76 2HB PRO 76 -3.077 -4.442 -0.729 542 HG2 PRO 76 1HG PRO 76 -5.835 -5.430 -0.115 543 HG3 PRO 76 2HG PRO 76 -4.885 -4.181 0.710 544 HD2 PRO 76 1HD PRO 76 -6.839 -3.587 -1.068 545 HD3 PRO 76 2HD PRO 76 -5.395 -2.575 -0.863 546 H ASN 77 H ASN 77 -3.480 -6.232 -4.491 547 HA ASN 77 HA ASN 77 -5.651 -8.106 -4.632 548 HB2 ASN 77 1HB ASN 77 -4.529 -7.230 -6.659 549 HB3 ASN 77 2HB ASN 77 -3.049 -8.055 -6.179 550 HD21 ASN 77 1HD2 ASN 77 -5.868 -8.275 -7.943 551 HD22 ASN 77 2HD2 ASN 77 -5.864 -9.977 -8.240 552 H LEU 78 H LEU 78 -5.713 -9.528 -2.974 553 HA LEU 78 HA LEU 78 -3.525 -11.447 -2.801 554 HB2 LEU 78 1HB LEU 78 -3.108 -11.219 -0.554 555 HB3 LEU 78 2HB LEU 78 -3.350 -9.544 -1.046 556 HG LEU 78 HG LEU 78 -5.560 -11.189 0.159 557 HD11 LEU 78 1HD1 LEU 78 -5.010 -10.182 2.312 558 HD12 LEU 78 2HD1 LEU 78 -3.573 -9.444 1.607 559 HD13 LEU 78 3HD1 LEU 78 -3.693 -11.199 1.728 560 HD21 LEU 78 3HD2 LEU 78 -5.647 -8.802 -1.104 561 HD22 LEU 78 1HD2 LEU 78 -5.352 -8.281 0.555 562 HD23 LEU 78 2HD2 LEU 78 -6.756 -9.282 0.182 563 H HIS 79 H HIS 79 -4.226 -13.488 -2.557 564 HA HIS 79 HA HIS 79 -5.666 -15.250 -2.476 565 HB2 HIS 79 1HB HIS 79 -6.895 -13.516 -0.325 566 HB3 HIS 79 2HB HIS 79 -7.342 -15.195 -0.615 567 HD2 HIS 79 2HD HIS 79 -4.518 -16.666 -0.715 568 HE1 HIS 79 1HE HIS 79 -3.635 -14.629 2.900 569 HE2 HIS 79 2HE HIS 79 -2.961 -16.491 1.343 570 H VAL 80 H VAL 80 -6.193 -13.434 -4.520 571 HA VAL 80 HA VAL 80 -8.999 -12.815 -4.605 572 HB VAL 80 HB VAL 80 -8.578 -12.150 -6.939 573 HG11 VAL 80 1HG1 VAL 80 -8.181 -10.302 -5.702 574 HG12 VAL 80 2HG1 VAL 80 -7.028 -11.122 -4.648 575 HG13 VAL 80 3HG1 VAL 80 -6.523 -10.564 -6.244 576 HG21 VAL 80 3HG2 VAL 80 -6.999 -13.625 -7.789 577 HG22 VAL 80 1HG2 VAL 80 -6.071 -12.139 -7.586 578 HG23 VAL 80 2HG2 VAL 80 -5.928 -13.437 -6.401 579 H ALA 81 H ALA 81 -10.416 -14.438 -4.724 580 HA ALA 81 HA ALA 81 -9.795 -16.770 -6.390 581 HB1 ALA 81 3HB ALA 81 -11.695 -16.297 -4.129 582 HB2 ALA 81 1HB ALA 81 -11.950 -17.638 -5.246 583 HB3 ALA 81 2HB ALA 81 -10.458 -17.540 -4.310 584 H ASN 82 H ASN 82 -11.574 -17.686 -7.698 585 HA ASN 82 HA ASN 82 -12.586 -15.794 -9.512 586 HB2 ASN 82 1HB ASN 82 -14.021 -17.809 -10.276 587 HB3 ASN 82 2HB ASN 82 -12.269 -17.935 -10.402 588 HD21 ASN 82 1HD2 ASN 82 -11.145 -19.105 -8.734 589 HD22 ASN 82 2HD2 ASN 82 -11.945 -20.396 -7.909 590 H ILE 83 H ILE 83 -14.271 -17.747 -7.056 591 HA ILE 83 HA ILE 83 -16.497 -15.820 -7.190 592 HB ILE 83 HB ILE 83 -17.929 -17.653 -6.286 593 HG12 ILE 83 1HG1 ILE 83 -15.883 -19.640 -7.166 594 HG13 ILE 83 2HG1 ILE 83 -15.704 -18.917 -5.571 595 HG21 ILE 83 1HG2 ILE 83 -16.776 -18.682 -8.827 596 HG22 ILE 83 2HG2 ILE 83 -18.459 -18.420 -8.373 597 HG23 ILE 83 3HG2 ILE 83 -17.440 -17.048 -8.805 598 HD11 ILE 83 3HD1 ILE 83 -18.354 -20.024 -6.303 599 HD12 ILE 83 1HD1 ILE 83 -17.046 -21.151 -5.950 600 HD13 ILE 83 2HD1 ILE 83 -17.540 -19.967 -4.740 601 H VAL 84 H VAL 84 -17.148 -14.836 -5.356 602 HA VAL 84 HA VAL 84 -16.179 -15.820 -2.776 603 HB VAL 84 HB VAL 84 -15.444 -13.587 -2.082 604 HG11 VAL 84 1HG1 VAL 84 -14.165 -15.131 -4.223 605 HG12 VAL 84 2HG1 VAL 84 -13.562 -13.482 -4.041 606 HG13 VAL 84 3HG1 VAL 84 -13.524 -14.594 -2.671 607 HG21 VAL 84 3HG2 VAL 84 -15.146 -12.380 -4.672 608 HG22 VAL 84 1HG2 VAL 84 -16.843 -12.746 -4.360 609 HG23 VAL 84 2HG2 VAL 84 -15.934 -11.746 -3.227 610 H GLU 85 H GLU 85 -17.498 -15.344 -1.051 611 HA GLU 85 HA GLU 85 -19.861 -13.678 -1.571 612 HB2 GLU 85 1HB GLU 85 -19.896 -16.431 -0.321 613 HB3 GLU 85 2HB GLU 85 -21.277 -15.347 -0.417 614 HG2 GLU 85 1HG GLU 85 -19.797 -16.482 -2.779 615 HG3 GLU 85 2HG GLU 85 -21.319 -17.096 -2.135 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -20.858 -5.114 -50.167 2 HA2 GLY 1 1HA GLY 1 -18.417 -4.567 -51.502 3 HA3 GLY 1 2HA GLY 1 -18.861 -3.207 -50.482 4 H SER 2 H SER 2 -16.690 -3.949 -49.575 5 HA SER 2 HA SER 2 -17.152 -5.181 -47.068 6 HB2 SER 2 1HB SER 2 -15.724 -7.174 -47.350 7 HB3 SER 2 2HB SER 2 -17.142 -7.242 -48.396 8 HG SER 2 HG SER 2 -14.702 -7.546 -49.154 9 H SER 3 H SER 3 -14.907 -5.694 -45.995 10 HA SER 3 HA SER 3 -12.636 -4.277 -46.963 11 HB2 SER 3 1HB SER 3 -14.299 -2.458 -46.141 12 HB3 SER 3 2HB SER 3 -13.851 -3.003 -44.524 13 HG SER 3 HG SER 3 -12.511 -1.302 -45.192 14 H GLY 4 H GLY 4 -10.975 -4.014 -45.091 15 HA2 GLY 4 1HA GLY 4 -11.320 -5.996 -42.980 16 HA3 GLY 4 2HA GLY 4 -10.064 -6.330 -44.163 17 H SER 5 H SER 5 -8.438 -4.561 -44.480 18 HA SER 5 HA SER 5 -6.756 -3.292 -43.620 19 HB2 SER 5 1HB SER 5 -8.839 -1.760 -43.355 20 HB3 SER 5 2HB SER 5 -8.699 -2.134 -41.637 21 HG SER 5 HG SER 5 -6.987 -0.908 -41.511 22 H SER 6 H SER 6 -6.943 -5.860 -42.585 23 HA SER 6 HA SER 6 -5.866 -5.439 -39.885 24 HB2 SER 6 1HB SER 6 -7.041 -7.293 -38.978 25 HB3 SER 6 2HB SER 6 -8.247 -6.364 -39.868 26 HG SER 6 HG SER 6 -6.927 -8.730 -40.708 27 H GLY 7 H GLY 7 -4.212 -6.849 -39.264 28 HA2 GLY 7 1HA GLY 7 -3.386 -9.085 -40.801 29 HA3 GLY 7 2HA GLY 7 -2.438 -7.671 -41.239 30 H MET 8 H MET 8 -1.928 -10.296 -39.720 31 HA MET 8 HA MET 8 -0.070 -9.157 -37.854 32 HB2 MET 8 1HB MET 8 -0.928 -10.138 -35.839 33 HB3 MET 8 2HB MET 8 -2.206 -9.166 -36.556 34 HG2 MET 8 1HG MET 8 -3.360 -11.081 -37.323 35 HG3 MET 8 2HG MET 8 -1.992 -12.132 -36.965 36 HE1 MET 8 3HE MET 8 -0.993 -12.402 -34.789 37 HE2 MET 8 1HE MET 8 -1.846 -12.419 -33.245 38 HE3 MET 8 2HE MET 8 -2.191 -13.654 -34.456 39 H ALA 9 H ALA 9 1.048 -11.008 -36.593 40 HA ALA 9 HA ALA 9 0.947 -13.648 -37.591 41 HB1 ALA 9 3HB ALA 9 3.526 -12.660 -38.500 42 HB2 ALA 9 1HB ALA 9 2.355 -13.694 -39.319 43 HB3 ALA 9 2HB ALA 9 2.173 -11.940 -39.372 44 H SER 10 H SER 10 1.460 -14.677 -35.780 45 HA SER 10 HA SER 10 4.014 -14.162 -34.505 46 HB2 SER 10 1HB SER 10 1.391 -13.515 -33.244 47 HB3 SER 10 2HB SER 10 2.632 -14.247 -32.226 48 HG SER 10 HG SER 10 2.788 -11.979 -32.202 49 H SER 11 H SER 11 4.883 -16.121 -34.467 50 HA SER 11 HA SER 11 3.286 -18.345 -33.408 51 HB2 SER 11 1HB SER 11 4.790 -18.254 -36.005 52 HB3 SER 11 2HB SER 11 4.606 -19.783 -35.144 53 HG SER 11 HG SER 11 2.478 -19.743 -35.483 54 H VAL 12 H VAL 12 4.281 -18.742 -31.533 55 HA VAL 12 HA VAL 12 7.153 -19.335 -31.607 56 HB VAL 12 HB VAL 12 5.863 -17.714 -29.409 57 HG11 VAL 12 1HG1 VAL 12 8.803 -18.060 -29.820 58 HG12 VAL 12 2HG1 VAL 12 7.916 -17.659 -28.348 59 HG13 VAL 12 3HG1 VAL 12 7.876 -19.305 -28.983 60 HG21 VAL 12 3HG2 VAL 12 6.991 -16.916 -31.952 61 HG22 VAL 12 1HG2 VAL 12 6.124 -15.957 -30.752 62 HG23 VAL 12 2HG2 VAL 12 7.864 -16.198 -30.598 63 H LEU 13 H LEU 13 7.801 -21.004 -30.305 64 HA LEU 13 HA LEU 13 5.695 -22.694 -29.261 65 HB2 LEU 13 1HB LEU 13 7.300 -24.399 -29.138 66 HB3 LEU 13 2HB LEU 13 7.675 -23.503 -30.608 67 HG LEU 13 HG LEU 13 9.129 -22.992 -28.029 68 HD11 LEU 13 1HD1 LEU 13 10.489 -24.758 -28.282 69 HD12 LEU 13 2HD1 LEU 13 10.462 -24.658 -30.042 70 HD13 LEU 13 3HD1 LEU 13 9.138 -25.445 -29.185 71 HD21 LEU 13 3HD2 LEU 13 9.677 -21.279 -29.442 72 HD22 LEU 13 1HD2 LEU 13 9.446 -22.253 -30.894 73 HD23 LEU 13 2HD2 LEU 13 10.895 -22.465 -29.912 74 H GLU 14 H GLU 14 6.330 -20.153 -27.911 75 HA GLU 14 HA GLU 14 7.428 -21.075 -25.358 76 HB2 GLU 14 1HB GLU 14 7.990 -18.821 -26.649 77 HB3 GLU 14 2HB GLU 14 6.569 -18.253 -25.785 78 HG2 GLU 14 1HG GLU 14 7.564 -18.652 -23.685 79 HG3 GLU 14 2HG GLU 14 8.873 -19.590 -24.402 80 H MET 15 H MET 15 6.140 -21.626 -23.735 81 HA MET 15 HA MET 15 3.291 -20.981 -23.914 82 HB2 MET 15 1HB MET 15 4.808 -22.990 -22.246 83 HB3 MET 15 2HB MET 15 3.082 -22.697 -22.082 84 HG2 MET 15 1HG MET 15 3.148 -23.159 -24.694 85 HG3 MET 15 2HG MET 15 4.581 -24.073 -24.229 86 HE1 MET 15 3HE MET 15 3.337 -27.129 -22.484 87 HE2 MET 15 1HE MET 15 4.430 -26.506 -23.720 88 HE3 MET 15 2HE MET 15 4.457 -25.824 -22.094 89 H ILE 16 H ILE 16 5.092 -18.909 -23.171 90 HA ILE 16 HA ILE 16 4.654 -18.592 -20.291 91 HB ILE 16 HB ILE 16 6.331 -16.963 -22.202 92 HG12 ILE 16 1HG1 ILE 16 7.312 -19.135 -21.762 93 HG13 ILE 16 2HG1 ILE 16 8.221 -17.908 -20.887 94 HG21 ILE 16 1HG2 ILE 16 6.906 -15.536 -20.494 95 HG22 ILE 16 2HG2 ILE 16 5.212 -15.847 -20.119 96 HG23 ILE 16 3HG2 ILE 16 6.480 -16.697 -19.236 97 HD11 ILE 16 3HD1 ILE 16 8.024 -19.299 -19.158 98 HD12 ILE 16 1HD1 ILE 16 6.384 -18.662 -19.030 99 HD13 ILE 16 2HD1 ILE 16 6.679 -20.174 -19.890 100 H LYS 17 H LYS 17 3.086 -17.339 -19.530 101 HA LYS 17 HA LYS 17 1.351 -15.923 -21.326 102 HB2 LYS 17 1HB LYS 17 0.785 -17.181 -19.103 103 HB3 LYS 17 2HB LYS 17 1.219 -15.655 -18.343 104 HG2 LYS 17 1HG LYS 17 -1.111 -15.594 -18.618 105 HG3 LYS 17 2HG LYS 17 -0.456 -14.560 -19.890 106 HD2 LYS 17 1HD LYS 17 -0.893 -16.136 -21.559 107 HD3 LYS 17 2HD LYS 17 -1.048 -17.457 -20.398 108 HE2 LYS 17 1HE LYS 17 -3.129 -16.521 -19.574 109 HE3 LYS 17 2HE LYS 17 -2.959 -15.136 -20.651 110 HZ1 LYS 17 3HZ LYS 17 -3.474 -17.957 -21.389 111 HZ2 LYS 17 1HZ LYS 17 -2.981 -16.798 -22.519 112 HZ3 LYS 17 2HZ LYS 17 -4.445 -16.607 -21.694 113 H GLU 18 H GLU 18 1.326 -13.812 -21.805 114 HA GLU 18 HA GLU 18 3.120 -12.039 -20.280 115 HB2 GLU 18 1HB GLU 18 2.675 -12.345 -23.214 116 HB3 GLU 18 2HB GLU 18 3.032 -10.740 -22.591 117 HG2 GLU 18 1HG GLU 18 5.034 -11.854 -21.437 118 HG3 GLU 18 2HG GLU 18 4.741 -13.194 -22.544 119 H GLU 19 H GLU 19 0.309 -12.565 -19.772 120 HA GLU 19 HA GLU 19 -0.755 -9.860 -20.255 121 HB2 GLU 19 1HB GLU 19 -2.297 -12.458 -20.159 122 HB3 GLU 19 2HB GLU 19 -3.025 -10.861 -20.255 123 HG2 GLU 19 1HG GLU 19 -3.066 -11.566 -22.446 124 HG3 GLU 19 2HG GLU 19 -1.600 -10.590 -22.387 125 H VAL 20 H VAL 20 -0.750 -12.673 -18.106 126 HA VAL 20 HA VAL 20 -2.080 -11.303 -15.968 127 HB VAL 20 HB VAL 20 -1.414 -13.281 -14.602 128 HG11 VAL 20 1HG1 VAL 20 -2.599 -14.938 -16.350 129 HG12 VAL 20 2HG1 VAL 20 -3.473 -13.709 -15.435 130 HG13 VAL 20 3HG1 VAL 20 -2.985 -13.390 -17.100 131 HG21 VAL 20 3HG2 VAL 20 0.701 -13.774 -15.734 132 HG22 VAL 20 1HG2 VAL 20 -0.359 -15.183 -15.705 133 HG23 VAL 20 2HG2 VAL 20 -0.185 -14.242 -17.186 134 H THR 21 H THR 21 1.272 -12.165 -16.709 135 HA THR 21 HA THR 21 2.408 -11.273 -14.292 136 HB THR 21 HB THR 21 3.835 -11.194 -16.945 137 HG1 THR 21 1HG THR 21 2.758 -13.351 -15.601 138 HG21 THR 21 3HG2 THR 21 5.622 -12.177 -15.265 139 HG22 THR 21 1HG2 THR 21 4.610 -11.362 -14.073 140 HG23 THR 21 2HG2 THR 21 5.341 -10.440 -15.387 141 H CYS 22 H CYS 22 3.853 -9.396 -14.037 142 HA CYS 22 HA CYS 22 2.522 -6.982 -14.522 143 HB2 CYS 22 1HB CYS 22 4.155 -7.352 -12.688 144 HB3 CYS 22 2HB CYS 22 5.452 -7.369 -13.878 145 HA PRO 23 HA PRO 23 3.697 -6.407 -18.787 146 HB2 PRO 23 1HB PRO 23 2.398 -4.044 -19.103 147 HB3 PRO 23 2HB PRO 23 1.568 -5.605 -19.106 148 HG2 PRO 23 1HG PRO 23 1.845 -3.612 -16.890 149 HG3 PRO 23 2HG PRO 23 0.418 -4.538 -17.390 150 HD2 PRO 23 1HD PRO 23 1.944 -5.246 -15.268 151 HD3 PRO 23 2HD PRO 23 1.107 -6.438 -16.284 152 H ILE 24 H ILE 24 4.935 -4.998 -16.124 153 HA ILE 24 HA ILE 24 6.439 -2.969 -17.640 154 HB ILE 24 HB ILE 24 5.975 -3.154 -14.661 155 HG12 ILE 24 1HG1 ILE 24 5.078 -0.963 -16.525 156 HG13 ILE 24 2HG1 ILE 24 4.080 -2.380 -16.215 157 HG21 ILE 24 1HG2 ILE 24 8.173 -2.100 -15.869 158 HG22 ILE 24 2HG2 ILE 24 7.111 -0.696 -15.780 159 HG23 ILE 24 3HG2 ILE 24 7.532 -1.577 -14.312 160 HD11 ILE 24 3HD1 ILE 24 3.831 -0.146 -14.831 161 HD12 ILE 24 1HD1 ILE 24 3.580 -1.732 -14.101 162 HD13 ILE 24 2HD1 ILE 24 5.113 -0.889 -13.875 163 H CYS 25 H CYS 25 7.065 -4.797 -14.649 164 HA CYS 25 HA CYS 25 9.840 -5.108 -15.366 165 HB2 CYS 25 1HB CYS 25 10.074 -6.188 -13.192 166 HB3 CYS 25 2HB CYS 25 9.157 -4.694 -13.031 167 H LEU 26 H LEU 26 6.971 -6.875 -15.837 168 HA LEU 26 HA LEU 26 6.514 -8.919 -16.721 169 HB2 LEU 26 1HB LEU 26 9.404 -8.808 -17.572 170 HB3 LEU 26 2HB LEU 26 8.184 -9.910 -18.206 171 HG LEU 26 HG LEU 26 8.036 -6.912 -18.484 172 HD11 LEU 26 1HD1 LEU 26 8.539 -8.057 -20.972 173 HD12 LEU 26 2HD1 LEU 26 9.690 -8.818 -19.875 174 HD13 LEU 26 3HD1 LEU 26 9.635 -7.061 -20.015 175 HD21 LEU 26 3HD2 LEU 26 6.126 -8.908 -18.842 176 HD22 LEU 26 1HD2 LEU 26 6.688 -8.516 -20.467 177 HD23 LEU 26 2HD2 LEU 26 6.049 -7.245 -19.424 178 H GLU 27 H GLU 27 7.006 -8.976 -14.043 179 HA GLU 27 HA GLU 27 8.143 -11.649 -13.728 180 HB2 GLU 27 1HB GLU 27 9.107 -9.168 -12.367 181 HB3 GLU 27 2HB GLU 27 9.119 -10.684 -11.476 182 HG2 GLU 27 1HG GLU 27 10.420 -11.659 -13.410 183 HG3 GLU 27 2HG GLU 27 10.600 -10.007 -13.997 184 H LEU 28 H LEU 28 7.624 -12.557 -11.531 185 HA LEU 28 HA LEU 28 4.941 -12.695 -11.069 186 HB2 LEU 28 1HB LEU 28 7.332 -13.208 -9.384 187 HB3 LEU 28 2HB LEU 28 5.755 -13.200 -8.595 188 HG LEU 28 HG LEU 28 6.500 -14.973 -10.920 189 HD11 LEU 28 1HD1 LEU 28 6.325 -15.613 -7.979 190 HD12 LEU 28 2HD1 LEU 28 7.802 -15.541 -8.939 191 HD13 LEU 28 3HD1 LEU 28 6.590 -16.776 -9.278 192 HD21 LEU 28 3HD2 LEU 28 4.124 -14.514 -10.805 193 HD22 LEU 28 1HD2 LEU 28 4.102 -14.929 -9.091 194 HD23 LEU 28 2HD2 LEU 28 4.443 -16.172 -10.294 195 H LEU 29 H LEU 29 3.443 -11.346 -10.339 196 HA LEU 29 HA LEU 29 4.051 -8.732 -9.457 197 HB2 LEU 29 1HB LEU 29 1.479 -10.292 -9.262 198 HB3 LEU 29 2HB LEU 29 1.637 -8.558 -8.988 199 HG LEU 29 HG LEU 29 2.506 -9.655 -11.615 200 HD11 LEU 29 1HD1 LEU 29 0.255 -10.668 -10.991 201 HD12 LEU 29 2HD1 LEU 29 0.341 -9.770 -12.506 202 HD13 LEU 29 3HD1 LEU 29 -0.380 -9.025 -11.080 203 HD21 LEU 29 3HD2 LEU 29 2.656 -7.221 -10.771 204 HD22 LEU 29 1HD2 LEU 29 0.917 -7.177 -11.066 205 HD23 LEU 29 2HD2 LEU 29 2.028 -7.519 -12.393 206 H LYS 30 H LYS 30 5.052 -8.372 -7.582 207 HA LYS 30 HA LYS 30 4.479 -10.017 -5.254 208 HB2 LYS 30 1HB LYS 30 6.419 -7.730 -5.645 209 HB3 LYS 30 2HB LYS 30 6.291 -8.703 -4.185 210 HG2 LYS 30 1HG LYS 30 6.673 -10.671 -5.921 211 HG3 LYS 30 2HG LYS 30 7.464 -9.374 -6.820 212 HD2 LYS 30 1HD LYS 30 9.143 -10.409 -5.501 213 HD3 LYS 30 2HD LYS 30 8.767 -8.871 -4.720 214 HE2 LYS 30 1HE LYS 30 8.741 -10.246 -2.898 215 HE3 LYS 30 2HE LYS 30 7.051 -10.369 -3.386 216 HZ1 LYS 30 3HZ LYS 30 8.132 -12.529 -2.893 217 HZ2 LYS 30 1HZ LYS 30 9.154 -12.289 -4.220 218 HZ3 LYS 30 2HZ LYS 30 7.485 -12.437 -4.453 219 H GLU 31 H GLU 31 2.754 -9.529 -4.070 220 HA GLU 31 HA GLU 31 1.062 -8.334 -3.098 221 HB2 GLU 31 1HB GLU 31 3.569 -6.838 -2.410 222 HB3 GLU 31 2HB GLU 31 2.009 -6.243 -1.857 223 HG2 GLU 31 1HG GLU 31 2.989 -7.556 -0.122 224 HG3 GLU 31 2HG GLU 31 1.606 -8.431 -0.776 225 HA PRO 32 HA PRO 32 0.974 -5.245 -6.673 226 HB2 PRO 32 1HB PRO 32 -0.932 -6.507 -8.138 227 HB3 PRO 32 2HB PRO 32 0.795 -6.829 -8.328 228 HG2 PRO 32 1HG PRO 32 -1.263 -8.379 -6.805 229 HG3 PRO 32 2HG PRO 32 0.033 -8.975 -7.859 230 HD2 PRO 32 1HD PRO 32 0.232 -8.981 -5.158 231 HD3 PRO 32 2HD PRO 32 1.637 -8.756 -6.219 232 H VAL 33 H VAL 33 -1.224 -4.343 -7.623 233 HA VAL 33 HA VAL 33 -3.376 -4.421 -5.656 234 HB VAL 33 HB VAL 33 -3.487 -1.919 -5.600 235 HG11 VAL 33 1HG1 VAL 33 -2.086 -3.644 -4.019 236 HG12 VAL 33 2HG1 VAL 33 -0.859 -2.441 -4.421 237 HG13 VAL 33 3HG1 VAL 33 -2.368 -1.941 -3.658 238 HG21 VAL 33 3HG2 VAL 33 -0.640 -1.648 -6.261 239 HG22 VAL 33 1HG2 VAL 33 -1.687 -2.008 -7.634 240 HG23 VAL 33 2HG2 VAL 33 -2.000 -0.588 -6.635 241 H SER 34 H SER 34 -5.309 -4.364 -6.612 242 HA SER 34 HA SER 34 -5.505 -4.208 -9.452 243 HB2 SER 34 1HB SER 34 -7.890 -4.600 -9.116 244 HB3 SER 34 2HB SER 34 -6.956 -5.676 -8.078 245 HG SER 34 HG SER 34 -8.609 -4.756 -6.876 246 H ALA 35 H ALA 35 -6.850 -2.738 -10.658 247 HA ALA 35 HA ALA 35 -7.191 -0.104 -9.387 248 HB1 ALA 35 3HB ALA 35 -6.178 1.032 -11.136 249 HB2 ALA 35 1HB ALA 35 -5.142 -0.382 -10.940 250 HB3 ALA 35 2HB ALA 35 -6.329 -0.332 -12.244 251 H ASP 36 H ASP 36 -8.588 1.358 -10.806 252 HA ASP 36 HA ASP 36 -11.128 0.278 -11.065 253 HB2 ASP 36 1HB ASP 36 -10.334 2.758 -10.990 254 HB3 ASP 36 2HB ASP 36 -10.271 2.615 -12.745 255 H CYS 37 H CYS 37 -8.525 0.466 -13.394 256 HA CYS 37 HA CYS 37 -10.223 -0.458 -15.566 257 HB2 CYS 37 1HB CYS 37 -8.068 -0.381 -16.876 258 HB3 CYS 37 2HB CYS 37 -8.582 1.160 -16.197 259 H ASN 38 H ASN 38 -10.036 -2.221 -13.363 260 HA ASN 38 HA ASN 38 -9.377 -4.337 -12.733 261 HB2 ASN 38 1HB ASN 38 -9.878 -4.814 -15.679 262 HB3 ASN 38 2HB ASN 38 -10.003 -6.003 -14.385 263 HD21 ASN 38 1HD2 ASN 38 -11.548 -5.331 -12.594 264 HD22 ASN 38 2HD2 ASN 38 -13.058 -4.664 -13.106 265 H HIS 39 H HIS 39 -7.123 -2.727 -13.311 266 HA HIS 39 HA HIS 39 -5.287 -4.742 -14.433 267 HB2 HIS 39 1HB HIS 39 -5.148 -1.729 -14.617 268 HB3 HIS 39 2HB HIS 39 -3.806 -2.791 -15.035 269 HD2 HIS 39 2HD HIS 39 -6.282 -4.857 -16.513 270 HE1 HIS 39 1HE HIS 39 -6.022 -1.703 -19.339 271 HE2 HIS 39 2HE HIS 39 -6.887 -4.025 -18.886 272 H SER 40 H SER 40 -3.711 -5.433 -13.132 273 HA SER 40 HA SER 40 -3.183 -3.903 -10.668 274 HB2 SER 40 1HB SER 40 -2.883 -6.896 -10.929 275 HB3 SER 40 2HB SER 40 -2.918 -5.930 -9.453 276 HG SER 40 HG SER 40 -5.138 -5.807 -11.136 277 H PHE 41 H PHE 41 -1.060 -3.770 -9.935 278 HA PHE 41 HA PHE 41 1.051 -4.957 -11.556 279 HB2 PHE 41 1HB PHE 41 1.180 -2.010 -10.977 280 HB3 PHE 41 2HB PHE 41 2.102 -2.945 -12.150 281 HD1 PHE 41 1HD PHE 41 -1.232 -1.545 -11.404 282 HD2 PHE 41 2HD PHE 41 1.319 -3.258 -14.349 283 HE1 PHE 41 1HE PHE 41 -2.843 -0.922 -13.156 284 HE2 PHE 41 2HE PHE 41 -0.288 -2.637 -16.106 285 HZ PHE 41 HZ PHE 41 -2.372 -1.468 -15.511 286 H CYS 42 H CYS 42 3.226 -4.585 -10.577 287 HA CYS 42 HA CYS 42 3.260 -5.351 -7.894 288 HB2 CYS 42 1HB CYS 42 5.550 -3.975 -9.298 289 HB3 CYS 42 2HB CYS 42 5.634 -5.165 -8.002 290 H ARG 43 H ARG 43 3.081 -4.263 -6.050 291 HA ARG 43 HA ARG 43 2.210 -1.764 -5.673 292 HB2 ARG 43 1HB ARG 43 2.562 -3.366 -3.844 293 HB3 ARG 43 2HB ARG 43 4.298 -3.101 -3.942 294 HG2 ARG 43 1HG ARG 43 3.843 -1.693 -2.235 295 HG3 ARG 43 2HG ARG 43 3.530 -0.581 -3.569 296 HD2 ARG 43 1HD ARG 43 1.282 -2.278 -2.639 297 HD3 ARG 43 2HD ARG 43 1.797 -0.961 -1.585 298 HE ARG 43 HE ARG 43 0.372 -0.734 -4.053 299 HH11 ARG 43 1HH1 ARG 43 2.634 0.866 -1.944 300 HH12 ARG 43 2HH1 ARG 43 2.221 2.457 -2.493 301 HH21 ARG 43 1HH2 ARG 43 -0.180 1.355 -4.784 302 HH22 ARG 43 2HH2 ARG 43 0.619 2.734 -4.108 303 H ALA 44 H ALA 44 5.651 -2.613 -5.933 304 HA ALA 44 HA ALA 44 6.614 0.035 -5.668 305 HB1 ALA 44 3HB ALA 44 8.145 -1.700 -5.226 306 HB2 ALA 44 1HB ALA 44 7.837 -2.475 -6.780 307 HB3 ALA 44 2HB ALA 44 8.707 -0.941 -6.715 308 H CYS 45 H CYS 45 5.951 -2.000 -8.503 309 HA CYS 45 HA CYS 45 6.841 -0.237 -10.473 310 HB2 CYS 45 1HB CYS 45 4.743 -2.397 -10.477 311 HB3 CYS 45 2HB CYS 45 5.101 -1.459 -11.923 312 H ILE 46 H ILE 46 3.403 -0.858 -9.777 313 HA ILE 46 HA ILE 46 2.219 1.169 -11.086 314 HB ILE 46 HB ILE 46 0.973 -0.456 -9.734 315 HG12 ILE 46 1HG1 ILE 46 -0.543 1.424 -8.572 316 HG13 ILE 46 2HG1 ILE 46 0.456 2.468 -9.577 317 HG21 ILE 46 1HG2 ILE 46 2.553 -0.150 -7.739 318 HG22 ILE 46 2HG2 ILE 46 1.531 1.220 -7.311 319 HG23 ILE 46 3HG2 ILE 46 0.840 -0.400 -7.402 320 HD11 ILE 46 3HD1 ILE 46 -1.606 0.495 -10.346 321 HD12 ILE 46 1HD1 ILE 46 -1.238 2.080 -11.024 322 HD13 ILE 46 2HD1 ILE 46 -0.224 0.693 -11.422 323 H THR 47 H THR 47 3.883 1.463 -7.985 324 HA THR 47 HA THR 47 3.215 4.189 -7.548 325 HB THR 47 HB THR 47 5.490 2.539 -6.433 326 HG1 THR 47 1HG THR 47 3.850 1.719 -5.367 327 HG21 THR 47 3HG2 THR 47 6.307 4.451 -5.623 328 HG22 THR 47 1HG2 THR 47 4.837 4.601 -4.661 329 HG23 THR 47 2HG2 THR 47 4.935 5.365 -6.248 330 H LEU 48 H LEU 48 6.341 2.718 -8.453 331 HA LEU 48 HA LEU 48 7.743 5.014 -9.011 332 HB2 LEU 48 1HB LEU 48 8.931 2.995 -9.015 333 HB3 LEU 48 2HB LEU 48 7.858 2.267 -10.208 334 HG LEU 48 HG LEU 48 8.822 4.060 -11.812 335 HD11 LEU 48 1HD1 LEU 48 11.393 4.157 -10.866 336 HD12 LEU 48 2HD1 LEU 48 10.434 4.440 -9.413 337 HD13 LEU 48 3HD1 LEU 48 10.228 5.481 -10.822 338 HD21 LEU 48 3HD2 LEU 48 9.231 1.503 -11.663 339 HD22 LEU 48 1HD2 LEU 48 10.800 1.968 -11.003 340 HD23 LEU 48 2HD2 LEU 48 10.330 2.501 -12.617 341 H ASN 49 H ASN 49 6.068 3.024 -11.458 342 HA ASN 49 HA ASN 49 6.371 4.513 -13.686 343 HB2 ASN 49 1HB ASN 49 4.982 2.384 -13.359 344 HB3 ASN 49 2HB ASN 49 3.647 3.455 -12.946 345 HD21 ASN 49 1HD2 ASN 49 5.742 2.321 -15.461 346 HD22 ASN 49 2HD2 ASN 49 4.856 2.990 -16.784 347 H TYR 50 H TYR 50 3.978 5.141 -11.142 348 HA TYR 50 HA TYR 50 2.740 7.347 -12.355 349 HB2 TYR 50 1HB TYR 50 1.586 6.414 -10.538 350 HB3 TYR 50 2HB TYR 50 3.008 6.439 -9.501 351 HD1 TYR 50 1HD TYR 50 3.785 8.591 -8.528 352 HD2 TYR 50 2HD TYR 50 0.130 8.294 -10.685 353 HE1 TYR 50 1HE TYR 50 3.050 10.731 -7.564 354 HE2 TYR 50 2HE TYR 50 -0.615 10.434 -9.728 355 HH TYR 50 HH TYR 50 0.050 12.272 -8.587 356 H GLU 51 H GLU 51 5.221 7.318 -9.789 357 HA GLU 51 HA GLU 51 5.711 9.948 -9.441 358 HB2 GLU 51 1HB GLU 51 7.763 7.747 -9.709 359 HB3 GLU 51 2HB GLU 51 8.121 9.351 -9.083 360 HG2 GLU 51 1HG GLU 51 5.973 7.661 -7.864 361 HG3 GLU 51 2HG GLU 51 7.666 7.453 -7.420 362 H SER 52 H SER 52 7.057 7.984 -12.078 363 HA SER 52 HA SER 52 8.501 10.082 -13.298 364 HB2 SER 52 1HB SER 52 7.426 7.500 -14.453 365 HB3 SER 52 2HB SER 52 8.540 8.577 -15.294 366 HG SER 52 HG SER 52 9.759 7.024 -14.285 367 H ASN 53 H ASN 53 5.399 8.585 -14.228 368 HA ASN 53 HA ASN 53 4.685 11.125 -15.540 369 HB2 ASN 53 1HB ASN 53 3.595 8.477 -16.451 370 HB3 ASN 53 2HB ASN 53 3.685 9.998 -17.335 371 HD21 ASN 53 1HD2 ASN 53 5.171 7.034 -16.693 372 HD22 ASN 53 2HD2 ASN 53 6.642 7.304 -17.559 373 H ARG 54 H ARG 54 2.965 12.090 -14.700 374 HA ARG 54 HA ARG 54 0.657 10.610 -13.838 375 HB2 ARG 54 1HB ARG 54 0.661 11.206 -11.536 376 HB3 ARG 54 2HB ARG 54 2.239 10.507 -11.872 377 HG2 ARG 54 1HG ARG 54 1.946 13.453 -12.082 378 HG3 ARG 54 2HG ARG 54 1.967 12.724 -10.475 379 HD2 ARG 54 1HD ARG 54 4.203 13.042 -10.748 380 HD3 ARG 54 2HD ARG 54 4.059 11.453 -11.498 381 HE ARG 54 HE ARG 54 4.518 12.401 -13.541 382 HH11 ARG 54 1HH1 ARG 54 3.874 14.901 -11.205 383 HH12 ARG 54 2HH1 ARG 54 4.395 16.186 -12.243 384 HH21 ARG 54 1HH2 ARG 54 5.207 14.085 -14.917 385 HH22 ARG 54 2HH2 ARG 54 5.152 15.721 -14.355 386 H ASN 55 H ASN 55 -1.076 12.102 -13.033 387 HA ASN 55 HA ASN 55 -1.227 14.377 -14.770 388 HB2 ASN 55 1HB ASN 55 -3.149 12.824 -14.109 389 HB3 ASN 55 2HB ASN 55 -3.183 13.694 -12.578 390 HD21 ASN 55 1HD2 ASN 55 -5.439 13.914 -13.648 391 HD22 ASN 55 2HD2 ASN 55 -5.683 15.378 -14.534 392 H THR 56 H THR 56 -1.468 16.555 -14.180 393 HA THR 56 HA THR 56 0.202 17.423 -12.068 394 HB THR 56 HB THR 56 -0.023 18.811 -14.022 395 HG1 THR 56 1HG THR 56 -1.161 19.966 -11.680 396 HG21 THR 56 3HG2 THR 56 -2.790 18.218 -13.750 397 HG22 THR 56 1HG2 THR 56 -1.974 19.065 -15.064 398 HG23 THR 56 2HG2 THR 56 -2.597 19.970 -13.684 399 H ASP 57 H ASP 57 -3.097 16.550 -12.178 400 HA ASP 57 HA ASP 57 -3.881 18.135 -9.886 401 HB2 ASP 57 1HB ASP 57 -5.279 16.076 -11.583 402 HB3 ASP 57 2HB ASP 57 -5.999 16.689 -10.096 403 H GLY 58 H GLY 58 -3.321 14.698 -10.607 404 HA2 GLY 58 1HA GLY 58 -2.013 13.911 -8.393 405 HA3 GLY 58 2HA GLY 58 -3.675 13.969 -7.823 406 H LYS 59 H LYS 59 -4.787 13.148 -10.396 407 HA LYS 59 HA LYS 59 -4.898 10.387 -9.994 408 HB2 LYS 59 1HB LYS 59 -5.570 12.074 -12.405 409 HB3 LYS 59 2HB LYS 59 -5.890 10.346 -12.329 410 HG2 LYS 59 1HG LYS 59 -6.921 12.087 -10.148 411 HG3 LYS 59 2HG LYS 59 -7.738 12.098 -11.712 412 HD2 LYS 59 1HD LYS 59 -7.996 9.660 -11.580 413 HD3 LYS 59 2HD LYS 59 -7.201 9.667 -10.004 414 HE2 LYS 59 1HE LYS 59 -9.399 9.684 -9.360 415 HE3 LYS 59 2HE LYS 59 -9.075 11.416 -9.429 416 HZ1 LYS 59 3HZ LYS 59 -11.033 11.229 -10.594 417 HZ2 LYS 59 1HZ LYS 59 -10.622 9.744 -11.292 418 HZ3 LYS 59 2HZ LYS 59 -9.902 11.169 -11.850 419 H GLY 60 H GLY 60 -3.850 8.655 -10.873 420 HA2 GLY 60 1HA GLY 60 -1.329 9.260 -12.239 421 HA3 GLY 60 2HA GLY 60 -1.736 7.748 -11.440 422 H ASN 61 H ASN 61 -0.611 7.990 -14.041 423 HA ASN 61 HA ASN 61 -2.837 7.249 -15.803 424 HB2 ASN 61 1HB ASN 61 -1.035 7.406 -17.604 425 HB3 ASN 61 2HB ASN 61 -1.502 8.916 -16.826 426 HD21 ASN 61 1HD2 ASN 61 0.798 6.256 -16.328 427 HD22 ASN 61 2HD2 ASN 61 2.138 7.268 -15.922 428 H CYS 62 H CYS 62 -3.091 5.226 -16.553 429 HA CYS 62 HA CYS 62 -1.514 3.122 -15.394 430 HB2 CYS 62 1HB CYS 62 -3.984 2.965 -15.746 431 HB3 CYS 62 2HB CYS 62 -3.691 2.914 -17.482 432 HA PRO 63 HA PRO 63 1.444 2.936 -18.695 433 HB2 PRO 63 1HB PRO 63 2.671 0.654 -17.883 434 HB3 PRO 63 2HB PRO 63 2.935 2.217 -17.100 435 HG2 PRO 63 1HG PRO 63 1.156 -0.042 -16.268 436 HG3 PRO 63 2HG PRO 63 2.226 0.964 -15.274 437 HD2 PRO 63 1HD PRO 63 -0.447 1.375 -15.411 438 HD3 PRO 63 2HD PRO 63 0.712 2.699 -15.176 439 H VAL 64 H VAL 64 -1.294 1.212 -18.435 440 HA VAL 64 HA VAL 64 -0.601 -0.567 -20.683 441 HB VAL 64 HB VAL 64 -2.710 -0.992 -18.561 442 HG11 VAL 64 1HG1 VAL 64 -3.179 -1.753 -20.984 443 HG12 VAL 64 2HG1 VAL 64 -1.953 -2.983 -20.667 444 HG13 VAL 64 3HG1 VAL 64 -3.408 -2.909 -19.672 445 HG21 VAL 64 3HG2 VAL 64 -1.370 -2.802 -17.781 446 HG22 VAL 64 1HG2 VAL 64 -0.258 -2.642 -19.141 447 HG23 VAL 64 2HG2 VAL 64 -0.320 -1.389 -17.901 448 H CYS 65 H CYS 65 -3.401 1.074 -19.198 449 HA CYS 65 HA CYS 65 -4.489 1.487 -21.900 450 HB2 CYS 65 1HB CYS 65 -6.662 1.864 -20.742 451 HB3 CYS 65 2HB CYS 65 -6.002 0.254 -20.475 452 H ARG 66 H ARG 66 -3.058 3.067 -19.260 453 HA ARG 66 HA ARG 66 -2.563 5.247 -18.837 454 HB2 ARG 66 1HB ARG 66 -3.589 5.655 -21.652 455 HB3 ARG 66 2HB ARG 66 -2.730 6.864 -20.707 456 HG2 ARG 66 1HG ARG 66 -1.514 4.187 -21.275 457 HG3 ARG 66 2HG ARG 66 -1.417 5.511 -22.438 458 HD2 ARG 66 1HD ARG 66 -0.602 6.846 -20.307 459 HD3 ARG 66 2HD ARG 66 -0.158 5.230 -19.758 460 HE ARG 66 HE ARG 66 1.506 5.166 -21.352 461 HH11 ARG 66 1HH1 ARG 66 -0.553 7.923 -21.885 462 HH12 ARG 66 2HH1 ARG 66 0.504 8.651 -23.049 463 HH21 ARG 66 1HH2 ARG 66 2.905 6.115 -22.883 464 HH22 ARG 66 2HH2 ARG 66 2.470 7.621 -23.617 465 H VAL 67 H VAL 67 -4.883 4.377 -17.746 466 HA VAL 67 HA VAL 67 -6.866 6.485 -18.249 467 HB VAL 67 HB VAL 67 -7.547 4.032 -18.239 468 HG11 VAL 67 1HG1 VAL 67 -7.080 4.410 -15.284 469 HG12 VAL 67 2HG1 VAL 67 -7.988 3.073 -15.993 470 HG13 VAL 67 3HG1 VAL 67 -6.271 3.262 -16.350 471 HG21 VAL 67 3HG2 VAL 67 -8.929 5.923 -16.336 472 HG22 VAL 67 1HG2 VAL 67 -9.161 5.849 -18.083 473 HG23 VAL 67 2HG2 VAL 67 -9.653 4.492 -17.070 474 HA PRO 68 HA PRO 68 -5.636 8.567 -14.553 475 HB2 PRO 68 1HB PRO 68 -7.839 10.125 -14.255 476 HB3 PRO 68 2HB PRO 68 -6.601 10.436 -15.477 477 HG2 PRO 68 1HG PRO 68 -9.255 9.081 -15.770 478 HG3 PRO 68 2HG PRO 68 -8.480 10.267 -16.837 479 HD2 PRO 68 1HD PRO 68 -8.466 7.610 -17.359 480 HD3 PRO 68 2HD PRO 68 -7.131 8.683 -17.828 481 H TYR 69 H TYR 69 -5.607 7.194 -12.838 482 HA TYR 69 HA TYR 69 -8.195 6.558 -11.577 483 HB2 TYR 69 1HB TYR 69 -7.041 4.583 -10.586 484 HB3 TYR 69 2HB TYR 69 -7.136 4.528 -12.342 485 HD1 TYR 69 1HD TYR 69 -4.872 5.183 -9.491 486 HD2 TYR 69 2HD TYR 69 -5.173 4.451 -13.672 487 HE1 TYR 69 1HE TYR 69 -2.436 4.862 -9.604 488 HE2 TYR 69 2HE TYR 69 -2.738 4.127 -13.796 489 HH TYR 69 HH TYR 69 -0.871 3.670 -12.473 490 HA PRO 70 HA PRO 70 -6.896 8.906 -8.088 491 HB2 PRO 70 1HB PRO 70 -8.472 7.764 -6.195 492 HB3 PRO 70 2HB PRO 70 -9.097 8.861 -7.431 493 HG2 PRO 70 1HG PRO 70 -9.150 5.869 -7.352 494 HG3 PRO 70 2HG PRO 70 -10.431 6.999 -7.830 495 HD2 PRO 70 1HD PRO 70 -8.901 5.683 -9.636 496 HD3 PRO 70 2HD PRO 70 -9.545 7.310 -9.935 497 H PHE 71 H PHE 71 -4.848 8.503 -7.446 498 HA PHE 71 HA PHE 71 -3.751 6.047 -6.749 499 HB2 PHE 71 1HB PHE 71 -2.545 8.244 -7.237 500 HB3 PHE 71 2HB PHE 71 -2.855 8.667 -5.556 501 HD1 PHE 71 1HD PHE 71 -1.213 6.155 -7.727 502 HD2 PHE 71 2HD PHE 71 -1.468 7.885 -3.846 503 HE1 PHE 71 1HE PHE 71 0.811 4.931 -7.052 504 HE2 PHE 71 2HE PHE 71 0.557 6.664 -3.166 505 HZ PHE 71 HZ PHE 71 1.700 5.185 -4.769 506 H GLY 72 H GLY 72 -3.902 4.773 -5.017 507 HA2 GLY 72 1HA GLY 72 -3.822 4.652 -2.554 508 HA3 GLY 72 2HA GLY 72 -5.015 5.943 -2.540 509 H ASN 73 H ASN 73 -6.952 5.233 -4.166 510 HA ASN 73 HA ASN 73 -8.521 3.457 -2.816 511 HB2 ASN 73 1HB ASN 73 -8.518 4.491 -5.602 512 HB3 ASN 73 2HB ASN 73 -9.545 3.100 -5.271 513 HD21 ASN 73 1HD2 ASN 73 -10.579 5.529 -6.053 514 HD22 ASN 73 2HD2 ASN 73 -11.470 6.217 -4.742 515 H LEU 74 H LEU 74 -6.147 2.742 -5.300 516 HA LEU 74 HA LEU 74 -6.657 0.254 -6.149 517 HB2 LEU 74 1HB LEU 74 -3.987 1.060 -5.008 518 HB3 LEU 74 2HB LEU 74 -4.282 -0.198 -6.207 519 HG LEU 74 HG LEU 74 -4.990 2.658 -6.780 520 HD11 LEU 74 1HD1 LEU 74 -2.460 1.884 -7.907 521 HD12 LEU 74 2HD1 LEU 74 -2.403 1.823 -6.146 522 HD13 LEU 74 3HD1 LEU 74 -2.879 3.312 -6.960 523 HD21 LEU 74 3HD2 LEU 74 -3.968 0.622 -8.713 524 HD22 LEU 74 1HD2 LEU 74 -5.033 2.000 -8.991 525 HD23 LEU 74 2HD2 LEU 74 -5.647 0.561 -8.176 526 H LYS 75 H LYS 75 -7.226 -1.607 -5.258 527 HA LYS 75 HA LYS 75 -6.977 -2.004 -2.406 528 HB2 LYS 75 1HB LYS 75 -8.132 -3.783 -4.561 529 HB3 LYS 75 2HB LYS 75 -8.236 -4.093 -2.833 530 HG2 LYS 75 1HG LYS 75 -10.265 -3.130 -3.170 531 HG3 LYS 75 2HG LYS 75 -9.314 -1.684 -2.820 532 HD2 LYS 75 1HD LYS 75 -9.202 -1.074 -5.080 533 HD3 LYS 75 2HD LYS 75 -9.673 -2.684 -5.629 534 HE2 LYS 75 1HE LYS 75 -11.461 -0.796 -4.102 535 HE3 LYS 75 2HE LYS 75 -11.472 -0.990 -5.854 536 HZ1 LYS 75 3HZ LYS 75 -12.987 -2.402 -4.119 537 HZ2 LYS 75 1HZ LYS 75 -11.710 -3.470 -4.418 538 HZ3 LYS 75 2HZ LYS 75 -12.632 -2.874 -5.704 539 HA PRO 76 HA PRO 76 -3.226 -4.314 -2.507 540 HB2 PRO 76 1HB PRO 76 -3.499 -5.643 -0.155 541 HB3 PRO 76 2HB PRO 76 -3.105 -3.922 -0.246 542 HG2 PRO 76 1HG PRO 76 -5.748 -5.237 0.256 543 HG3 PRO 76 2HG PRO 76 -5.027 -3.830 1.060 544 HD2 PRO 76 1HD PRO 76 -6.914 -3.599 -0.868 545 HD3 PRO 76 2HD PRO 76 -5.632 -2.393 -0.638 546 H ASN 77 H ASN 77 -2.959 -5.972 -3.862 547 HA ASN 77 HA ASN 77 -4.847 -8.182 -3.887 548 HB2 ASN 77 1HB ASN 77 -2.644 -7.252 -5.689 549 HB3 ASN 77 2HB ASN 77 -3.193 -8.922 -5.796 550 HD21 ASN 77 1HD2 ASN 77 -3.464 -6.217 -7.359 551 HD22 ASN 77 2HD2 ASN 77 -5.117 -6.253 -7.860 552 H LEU 78 H LEU 78 -4.546 -9.971 -2.750 553 HA LEU 78 HA LEU 78 -1.797 -10.833 -2.157 554 HB2 LEU 78 1HB LEU 78 -4.119 -10.947 -0.239 555 HB3 LEU 78 2HB LEU 78 -2.480 -11.516 0.071 556 HG LEU 78 HG LEU 78 -3.100 -8.630 -0.510 557 HD11 LEU 78 1HD1 LEU 78 -2.635 -8.714 2.161 558 HD12 LEU 78 2HD1 LEU 78 -3.574 -10.188 1.930 559 HD13 LEU 78 3HD1 LEU 78 -4.236 -8.634 1.424 560 HD21 LEU 78 3HD2 LEU 78 -0.916 -8.301 -0.243 561 HD22 LEU 78 1HD2 LEU 78 -0.723 -10.052 -0.318 562 HD23 LEU 78 2HD2 LEU 78 -0.884 -9.250 1.244 563 H HIS 79 H HIS 79 -1.699 -12.507 -3.572 564 HA HIS 79 HA HIS 79 -2.292 -14.437 -4.676 565 HB2 HIS 79 1HB HIS 79 -1.456 -14.992 -2.241 566 HB3 HIS 79 2HB HIS 79 -3.119 -15.525 -2.013 567 HD2 HIS 79 2HD HIS 79 -1.540 -16.280 -5.467 568 HE1 HIS 79 1HE HIS 79 -1.603 -19.888 -3.236 569 HE2 HIS 79 2HE HIS 79 -1.104 -18.830 -5.466 570 H VAL 80 H VAL 80 -4.392 -12.639 -4.830 571 HA VAL 80 HA VAL 80 -6.838 -14.020 -4.103 572 HB VAL 80 HB VAL 80 -7.986 -12.099 -5.143 573 HG11 VAL 80 1HG1 VAL 80 -5.938 -11.756 -3.014 574 HG12 VAL 80 2HG1 VAL 80 -6.788 -10.325 -3.600 575 HG13 VAL 80 3HG1 VAL 80 -7.697 -11.673 -2.915 576 HG21 VAL 80 3HG2 VAL 80 -6.548 -11.482 -6.915 577 HG22 VAL 80 1HG2 VAL 80 -6.522 -10.133 -5.779 578 HG23 VAL 80 2HG2 VAL 80 -5.176 -11.271 -5.828 579 H ALA 81 H ALA 81 -7.620 -15.591 -5.331 580 HA ALA 81 HA ALA 81 -7.350 -15.359 -8.256 581 HB1 ALA 81 3HB ALA 81 -7.366 -17.951 -8.158 582 HB2 ALA 81 1HB ALA 81 -5.870 -17.080 -7.819 583 HB3 ALA 81 2HB ALA 81 -6.841 -17.718 -6.491 584 H ASN 82 H ASN 82 -9.369 -14.720 -8.796 585 HA ASN 82 HA ASN 82 -11.756 -15.297 -7.555 586 HB2 ASN 82 1HB ASN 82 -11.283 -13.696 -9.509 587 HB3 ASN 82 2HB ASN 82 -11.539 -15.091 -10.553 588 HD21 ASN 82 1HD2 ASN 82 -13.374 -14.347 -11.515 589 HD22 ASN 82 2HD2 ASN 82 -14.873 -14.142 -10.680 590 H ILE 83 H ILE 83 -13.588 -16.562 -8.822 591 HA ILE 83 HA ILE 83 -12.849 -19.329 -8.653 592 HB ILE 83 HB ILE 83 -15.220 -19.778 -9.192 593 HG12 ILE 83 1HG1 ILE 83 -15.578 -16.780 -9.211 594 HG13 ILE 83 2HG1 ILE 83 -15.443 -17.737 -10.682 595 HG21 ILE 83 1HG2 ILE 83 -14.661 -17.743 -7.045 596 HG22 ILE 83 2HG2 ILE 83 -16.171 -18.642 -7.175 597 HG23 ILE 83 3HG2 ILE 83 -14.657 -19.499 -6.892 598 HD11 ILE 83 3HD1 ILE 83 -17.409 -19.080 -9.785 599 HD12 ILE 83 1HD1 ILE 83 -17.618 -17.770 -8.624 600 HD13 ILE 83 2HD1 ILE 83 -17.733 -17.443 -10.353 601 H VAL 84 H VAL 84 -12.687 -17.065 -11.100 602 HA VAL 84 HA VAL 84 -12.616 -17.157 -13.394 603 HB VAL 84 HB VAL 84 -11.187 -19.730 -12.710 604 HG11 VAL 84 1HG1 VAL 84 -11.899 -18.669 -15.223 605 HG12 VAL 84 2HG1 VAL 84 -10.166 -18.400 -15.024 606 HG13 VAL 84 3HG1 VAL 84 -10.830 -20.029 -14.880 607 HG21 VAL 84 3HG2 VAL 84 -10.316 -17.701 -11.577 608 HG22 VAL 84 1HG2 VAL 84 -9.166 -18.421 -12.704 609 HG23 VAL 84 2HG2 VAL 84 -10.058 -16.969 -13.160 610 H GLU 85 H GLU 85 -15.106 -17.843 -12.770 611 HA GLU 85 HA GLU 85 -15.689 -20.337 -14.211 612 HB2 GLU 85 1HB GLU 85 -17.097 -18.803 -12.081 613 HB3 GLU 85 2HB GLU 85 -18.080 -19.701 -13.230 614 HG2 GLU 85 1HG GLU 85 -15.856 -20.902 -11.600 615 HG3 GLU 85 2HG GLU 85 -17.560 -20.940 -11.149 Start of MODEL 7 1 H1 GLY 1 H GLY 1 35.819 2.805 -27.892 2 HA2 GLY 1 1HA GLY 1 36.789 0.312 -26.645 3 HA3 GLY 1 2HA GLY 1 35.220 1.040 -26.334 4 H SER 2 H SER 2 35.672 -1.663 -27.102 5 HA SER 2 HA SER 2 33.978 -1.732 -29.464 6 HB2 SER 2 1HB SER 2 36.669 -3.110 -29.341 7 HB3 SER 2 2HB SER 2 35.426 -3.481 -30.537 8 HG SER 2 HG SER 2 35.597 -0.970 -30.760 9 H SER 3 H SER 3 33.231 -4.014 -29.911 10 HA SER 3 HA SER 3 33.457 -5.996 -27.887 11 HB2 SER 3 1HB SER 3 31.962 -4.205 -26.818 12 HB3 SER 3 2HB SER 3 30.741 -4.689 -27.995 13 HG SER 3 HG SER 3 30.333 -5.980 -26.308 14 H GLY 4 H GLY 4 31.663 -7.722 -28.216 15 HA2 GLY 4 1HA GLY 4 30.032 -8.061 -30.330 16 HA3 GLY 4 2HA GLY 4 31.616 -8.292 -31.057 17 H SER 5 H SER 5 29.162 -10.042 -30.273 18 HA SER 5 HA SER 5 30.658 -12.418 -29.830 19 HB2 SER 5 1HB SER 5 30.505 -11.281 -27.508 20 HB3 SER 5 2HB SER 5 28.809 -11.762 -27.548 21 HG SER 5 HG SER 5 29.619 -13.937 -27.955 22 H SER 6 H SER 6 29.313 -14.336 -29.825 23 HA SER 6 HA SER 6 26.499 -13.930 -30.498 24 HB2 SER 6 1HB SER 6 28.403 -15.458 -32.291 25 HB3 SER 6 2HB SER 6 26.664 -15.285 -32.530 26 HG SER 6 HG SER 6 28.412 -13.748 -33.545 27 H GLY 7 H GLY 7 25.248 -15.922 -30.468 28 HA2 GLY 7 1HA GLY 7 26.461 -18.331 -29.459 29 HA3 GLY 7 2HA GLY 7 25.540 -17.461 -28.243 30 H MET 8 H MET 8 24.751 -19.961 -28.807 31 HA MET 8 HA MET 8 22.408 -19.625 -30.560 32 HB2 MET 8 1HB MET 8 24.143 -21.408 -31.135 33 HB3 MET 8 2HB MET 8 23.585 -22.264 -29.703 34 HG2 MET 8 1HG MET 8 21.267 -22.153 -30.710 35 HG3 MET 8 2HG MET 8 22.048 -21.625 -32.199 36 HE1 MET 8 3HE MET 8 21.991 -24.917 -33.819 37 HE2 MET 8 1HE MET 8 20.590 -24.100 -33.123 38 HE3 MET 8 2HE MET 8 21.869 -23.158 -33.889 39 H ALA 9 H ALA 9 20.389 -20.350 -29.848 40 HA ALA 9 HA ALA 9 20.140 -21.322 -27.113 41 HB1 ALA 9 3HB ALA 9 19.800 -19.246 -26.337 42 HB2 ALA 9 1HB ALA 9 19.496 -18.588 -27.945 43 HB3 ALA 9 2HB ALA 9 18.204 -19.410 -27.070 44 H SER 10 H SER 10 18.021 -22.144 -26.618 45 HA SER 10 HA SER 10 16.241 -22.510 -28.919 46 HB2 SER 10 1HB SER 10 17.131 -24.789 -27.138 47 HB3 SER 10 2HB SER 10 16.058 -24.896 -28.533 48 HG SER 10 HG SER 10 18.198 -25.503 -29.057 49 H SER 11 H SER 11 14.097 -23.336 -28.296 50 HA SER 11 HA SER 11 13.376 -23.043 -25.492 51 HB2 SER 11 1HB SER 11 12.512 -21.160 -27.661 52 HB3 SER 11 2HB SER 11 11.418 -21.510 -26.323 53 HG SER 11 HG SER 11 14.090 -20.604 -26.017 54 H VAL 12 H VAL 12 11.679 -24.295 -24.915 55 HA VAL 12 HA VAL 12 10.587 -26.058 -26.958 56 HB VAL 12 HB VAL 12 9.661 -27.348 -25.093 57 HG11 VAL 12 1HG1 VAL 12 12.084 -27.533 -25.891 58 HG12 VAL 12 2HG1 VAL 12 12.507 -26.697 -24.396 59 HG13 VAL 12 3HG1 VAL 12 11.681 -28.254 -24.333 60 HG21 VAL 12 3HG2 VAL 12 10.511 -26.602 -22.759 61 HG22 VAL 12 1HG2 VAL 12 10.627 -25.006 -23.501 62 HG23 VAL 12 2HG2 VAL 12 9.073 -25.837 -23.435 63 H LEU 13 H LEU 13 8.180 -26.728 -26.425 64 HA LEU 13 HA LEU 13 6.626 -24.288 -26.729 65 HB2 LEU 13 1HB LEU 13 6.167 -27.183 -27.270 66 HB3 LEU 13 2HB LEU 13 4.774 -26.123 -27.064 67 HG LEU 13 HG LEU 13 5.791 -24.691 -28.909 68 HD11 LEU 13 1HD1 LEU 13 7.951 -26.339 -28.594 69 HD12 LEU 13 2HD1 LEU 13 7.640 -25.315 -29.995 70 HD13 LEU 13 3HD1 LEU 13 7.165 -27.013 -30.022 71 HD21 LEU 13 3HD2 LEU 13 4.047 -25.676 -29.887 72 HD22 LEU 13 1HD2 LEU 13 4.331 -27.197 -29.040 73 HD23 LEU 13 2HD2 LEU 13 5.199 -26.845 -30.535 74 H GLU 14 H GLU 14 5.847 -23.345 -24.967 75 HA GLU 14 HA GLU 14 4.558 -25.014 -22.932 76 HB2 GLU 14 1HB GLU 14 6.776 -23.051 -22.505 77 HB3 GLU 14 2HB GLU 14 5.553 -23.249 -21.258 78 HG2 GLU 14 1HG GLU 14 7.392 -25.360 -22.352 79 HG3 GLU 14 2HG GLU 14 7.418 -24.647 -20.740 80 H MET 15 H MET 15 3.111 -23.760 -21.507 81 HA MET 15 HA MET 15 1.779 -21.661 -23.051 82 HB2 MET 15 1HB MET 15 -0.076 -22.045 -21.357 83 HB3 MET 15 2HB MET 15 0.273 -23.381 -22.446 84 HG2 MET 15 1HG MET 15 1.250 -24.655 -20.782 85 HG3 MET 15 2HG MET 15 1.557 -23.257 -19.754 86 HE1 MET 15 3HE MET 15 -0.803 -25.931 -20.974 87 HE2 MET 15 1HE MET 15 -2.342 -25.621 -20.170 88 HE3 MET 15 2HE MET 15 -1.843 -24.621 -21.534 89 H ILE 16 H ILE 16 3.274 -19.988 -22.528 90 HA ILE 16 HA ILE 16 3.323 -19.144 -19.720 91 HB ILE 16 HB ILE 16 4.960 -18.157 -22.059 92 HG12 ILE 16 1HG1 ILE 16 6.034 -19.642 -19.685 93 HG13 ILE 16 2HG1 ILE 16 5.316 -20.533 -21.022 94 HG21 ILE 16 1HG2 ILE 16 6.232 -16.885 -20.460 95 HG22 ILE 16 2HG2 ILE 16 4.530 -16.446 -20.321 96 HG23 ILE 16 3HG2 ILE 16 5.264 -17.519 -19.130 97 HD11 ILE 16 3HD1 ILE 16 7.896 -20.010 -20.910 98 HD12 ILE 16 1HD1 ILE 16 7.019 -20.045 -22.440 99 HD13 ILE 16 2HD1 ILE 16 7.376 -18.503 -21.663 100 H LYS 17 H LYS 17 1.536 -17.989 -19.282 101 HA LYS 17 HA LYS 17 0.159 -16.349 -21.114 102 HB2 LYS 17 1HB LYS 17 -0.682 -17.348 -18.906 103 HB3 LYS 17 2HB LYS 17 0.102 -15.982 -18.124 104 HG2 LYS 17 1HG LYS 17 -2.154 -15.377 -18.379 105 HG3 LYS 17 2HG LYS 17 -1.275 -14.492 -19.628 106 HD2 LYS 17 1HD LYS 17 -1.909 -16.234 -21.261 107 HD3 LYS 17 2HD LYS 17 -2.849 -17.040 -20.004 108 HE2 LYS 17 1HE LYS 17 -3.313 -14.193 -20.871 109 HE3 LYS 17 2HE LYS 17 -4.169 -15.573 -21.558 110 HZ1 LYS 17 3HZ LYS 17 -5.407 -14.466 -19.765 111 HZ2 LYS 17 1HZ LYS 17 -4.170 -14.852 -18.677 112 HZ3 LYS 17 2HZ LYS 17 -5.070 -16.084 -19.406 113 H GLU 18 H GLU 18 0.631 -14.400 -21.874 114 HA GLU 18 HA GLU 18 2.636 -12.790 -20.446 115 HB2 GLU 18 1HB GLU 18 1.824 -12.682 -23.356 116 HB3 GLU 18 2HB GLU 18 3.069 -11.696 -22.602 117 HG2 GLU 18 1HG GLU 18 4.420 -13.637 -22.175 118 HG3 GLU 18 2HG GLU 18 3.144 -14.699 -22.767 119 H GLU 19 H GLU 19 -0.261 -12.892 -19.886 120 HA GLU 19 HA GLU 19 -0.936 -10.086 -20.485 121 HB2 GLU 19 1HB GLU 19 -2.781 -12.433 -20.010 122 HB3 GLU 19 2HB GLU 19 -3.314 -10.765 -20.170 123 HG2 GLU 19 1HG GLU 19 -1.789 -12.244 -22.298 124 HG3 GLU 19 2HG GLU 19 -3.548 -12.153 -22.228 125 H VAL 20 H VAL 20 -1.148 -12.655 -18.053 126 HA VAL 20 HA VAL 20 -2.148 -11.016 -15.971 127 HB VAL 20 HB VAL 20 -1.401 -12.831 -14.453 128 HG11 VAL 20 1HG1 VAL 20 -2.783 -13.905 -16.906 129 HG12 VAL 20 2HG1 VAL 20 -2.945 -14.477 -15.244 130 HG13 VAL 20 3HG1 VAL 20 -3.567 -12.890 -15.697 131 HG21 VAL 20 3HG2 VAL 20 -0.342 -14.118 -16.968 132 HG22 VAL 20 1HG2 VAL 20 0.648 -13.434 -15.678 133 HG23 VAL 20 2HG2 VAL 20 -0.374 -14.835 -15.357 134 H THR 21 H THR 21 1.118 -11.978 -16.927 135 HA THR 21 HA THR 21 2.573 -11.022 -14.782 136 HB THR 21 HB THR 21 3.451 -10.779 -17.662 137 HG1 THR 21 1HG THR 21 3.532 -13.022 -15.902 138 HG21 THR 21 3HG2 THR 21 4.834 -9.735 -15.801 139 HG22 THR 21 1HG2 THR 21 5.664 -10.896 -16.837 140 HG23 THR 21 2HG2 THR 21 5.120 -11.379 -15.230 141 H CYS 22 H CYS 22 3.620 -9.064 -14.326 142 HA CYS 22 HA CYS 22 2.153 -6.742 -14.595 143 HB2 CYS 22 1HB CYS 22 3.999 -7.128 -12.955 144 HB3 CYS 22 2HB CYS 22 5.155 -6.886 -14.260 145 HA PRO 23 HA PRO 23 2.866 -5.746 -18.877 146 HB2 PRO 23 1HB PRO 23 1.439 -3.437 -18.864 147 HB3 PRO 23 2HB PRO 23 0.682 -5.034 -18.914 148 HG2 PRO 23 1HG PRO 23 1.102 -3.208 -16.579 149 HG3 PRO 23 2HG PRO 23 -0.328 -4.165 -17.008 150 HD2 PRO 23 1HD PRO 23 1.441 -4.956 -15.117 151 HD3 PRO 23 2HD PRO 23 0.556 -6.108 -16.138 152 H ILE 24 H ILE 24 4.266 -4.438 -16.220 153 HA ILE 24 HA ILE 24 5.547 -2.257 -17.729 154 HB ILE 24 HB ILE 24 5.329 -2.632 -14.740 155 HG12 ILE 24 1HG1 ILE 24 4.264 -0.272 -16.230 156 HG13 ILE 24 2HG1 ILE 24 3.352 -1.777 -16.282 157 HG21 ILE 24 1HG2 ILE 24 6.987 -0.847 -16.420 158 HG22 ILE 24 2HG2 ILE 24 6.232 -0.136 -14.994 159 HG23 ILE 24 3HG2 ILE 24 7.307 -1.524 -14.823 160 HD11 ILE 24 3HD1 ILE 24 2.376 -0.922 -14.455 161 HD12 ILE 24 1HD1 ILE 24 3.793 -1.582 -13.638 162 HD13 ILE 24 2HD1 ILE 24 3.745 0.125 -14.080 163 H CYS 25 H CYS 25 6.406 -4.419 -15.020 164 HA CYS 25 HA CYS 25 9.161 -4.480 -15.929 165 HB2 CYS 25 1HB CYS 25 9.598 -5.725 -13.868 166 HB3 CYS 25 2HB CYS 25 8.677 -4.263 -13.528 167 H LEU 26 H LEU 26 6.335 -6.492 -15.987 168 HA LEU 26 HA LEU 26 5.884 -8.437 -17.084 169 HB2 LEU 26 1HB LEU 26 8.693 -8.325 -18.155 170 HB3 LEU 26 2HB LEU 26 7.317 -9.196 -18.829 171 HG LEU 26 HG LEU 26 7.384 -6.194 -18.661 172 HD11 LEU 26 1HD1 LEU 26 8.196 -7.835 -21.050 173 HD12 LEU 26 2HD1 LEU 26 9.347 -7.099 -19.936 174 HD13 LEU 26 3HD1 LEU 26 8.250 -6.081 -20.868 175 HD21 LEU 26 3HD2 LEU 26 5.582 -8.242 -19.734 176 HD22 LEU 26 1HD2 LEU 26 5.931 -6.918 -20.845 177 HD23 LEU 26 2HD2 LEU 26 5.254 -6.576 -19.252 178 H GLU 27 H GLU 27 6.726 -8.539 -14.440 179 HA GLU 27 HA GLU 27 7.956 -11.198 -14.384 180 HB2 GLU 27 1HB GLU 27 8.864 -8.772 -12.859 181 HB3 GLU 27 2HB GLU 27 9.139 -10.389 -12.226 182 HG2 GLU 27 1HG GLU 27 9.997 -9.681 -14.999 183 HG3 GLU 27 2HG GLU 27 10.986 -9.239 -13.608 184 H LEU 28 H LEU 28 7.730 -12.172 -12.120 185 HA LEU 28 HA LEU 28 5.087 -12.508 -11.469 186 HB2 LEU 28 1HB LEU 28 7.636 -12.944 -10.001 187 HB3 LEU 28 2HB LEU 28 6.124 -13.087 -9.107 188 HG LEU 28 HG LEU 28 6.866 -14.694 -11.552 189 HD11 LEU 28 1HD1 LEU 28 8.207 -15.213 -9.527 190 HD12 LEU 28 2HD1 LEU 28 7.184 -16.546 -10.062 191 HD13 LEU 28 3HD1 LEU 28 6.706 -15.570 -8.673 192 HD21 LEU 28 3HD2 LEU 28 4.385 -14.334 -10.025 193 HD22 LEU 28 1HD2 LEU 28 4.846 -16.012 -10.311 194 HD23 LEU 28 2HD2 LEU 28 4.634 -14.912 -11.673 195 H LEU 29 H LEU 29 3.619 -11.134 -10.738 196 HA LEU 29 HA LEU 29 4.204 -8.593 -9.686 197 HB2 LEU 29 1HB LEU 29 1.653 -10.176 -9.415 198 HB3 LEU 29 2HB LEU 29 1.827 -8.436 -9.197 199 HG LEU 29 HG LEU 29 2.581 -9.600 -11.829 200 HD11 LEU 29 1HD1 LEU 29 0.299 -10.524 -10.953 201 HD12 LEU 29 2HD1 LEU 29 0.440 -9.909 -12.599 202 HD13 LEU 29 3HD1 LEU 29 -0.276 -8.903 -11.340 203 HD21 LEU 29 3HD2 LEU 29 0.999 -7.118 -11.277 204 HD22 LEU 29 1HD2 LEU 29 2.058 -7.488 -12.639 205 HD23 LEU 29 2HD2 LEU 29 2.749 -7.144 -11.053 206 H LYS 30 H LYS 30 4.840 -8.004 -7.729 207 HA LYS 30 HA LYS 30 4.533 -9.905 -5.512 208 HB2 LYS 30 1HB LYS 30 6.476 -7.695 -6.092 209 HB3 LYS 30 2HB LYS 30 6.224 -8.228 -4.434 210 HG2 LYS 30 1HG LYS 30 6.852 -10.504 -5.072 211 HG3 LYS 30 2HG LYS 30 7.115 -9.962 -6.731 212 HD2 LYS 30 1HD LYS 30 8.534 -8.528 -4.545 213 HD3 LYS 30 2HD LYS 30 9.101 -10.141 -4.987 214 HE2 LYS 30 1HE LYS 30 8.582 -8.173 -7.158 215 HE3 LYS 30 2HE LYS 30 10.029 -7.969 -6.172 216 HZ1 LYS 30 3HZ LYS 30 9.784 -9.603 -8.338 217 HZ2 LYS 30 1HZ LYS 30 9.665 -10.673 -7.032 218 HZ3 LYS 30 2HZ LYS 30 11.017 -9.669 -7.182 219 H GLU 31 H GLU 31 2.850 -9.549 -4.231 220 HA GLU 31 HA GLU 31 1.085 -8.466 -3.237 221 HB2 GLU 31 1HB GLU 31 3.597 -7.122 -2.380 222 HB3 GLU 31 2HB GLU 31 2.078 -6.367 -1.919 223 HG2 GLU 31 1HG GLU 31 2.479 -9.275 -1.411 224 HG3 GLU 31 2HG GLU 31 3.236 -8.091 -0.347 225 HA PRO 32 HA PRO 32 0.979 -5.102 -6.563 226 HB2 PRO 32 1HB PRO 32 -0.840 -6.300 -8.183 227 HB3 PRO 32 2HB PRO 32 0.902 -6.544 -8.350 228 HG2 PRO 32 1HG PRO 32 -1.136 -8.289 -7.023 229 HG3 PRO 32 2HG PRO 32 0.208 -8.747 -8.085 230 HD2 PRO 32 1HD PRO 32 0.337 -8.977 -5.390 231 HD3 PRO 32 2HD PRO 32 1.760 -8.614 -6.387 232 H VAL 33 H VAL 33 -0.982 -3.882 -7.232 233 HA VAL 33 HA VAL 33 -3.276 -4.308 -5.445 234 HB VAL 33 HB VAL 33 -3.424 -1.856 -5.078 235 HG11 VAL 33 1HG1 VAL 33 -0.842 -3.102 -4.138 236 HG12 VAL 33 2HG1 VAL 33 -1.678 -1.740 -3.388 237 HG13 VAL 33 3HG1 VAL 33 -2.425 -3.338 -3.398 238 HG21 VAL 33 3HG2 VAL 33 -0.673 -1.225 -5.611 239 HG22 VAL 33 1HG2 VAL 33 -1.471 -1.769 -7.087 240 HG23 VAL 33 2HG2 VAL 33 -2.134 -0.414 -6.173 241 H SER 34 H SER 34 -5.130 -4.325 -6.523 242 HA SER 34 HA SER 34 -5.233 -3.709 -9.309 243 HB2 SER 34 1HB SER 34 -6.658 -5.459 -8.732 244 HB3 SER 34 2HB SER 34 -7.225 -4.650 -7.272 245 HG SER 34 HG SER 34 -8.338 -3.173 -8.636 246 H ALA 35 H ALA 35 -6.841 -2.243 -10.273 247 HA ALA 35 HA ALA 35 -7.330 0.143 -8.617 248 HB1 ALA 35 3HB ALA 35 -6.847 1.531 -10.617 249 HB2 ALA 35 1HB ALA 35 -5.444 0.646 -10.017 250 HB3 ALA 35 2HB ALA 35 -6.301 0.075 -11.449 251 H ASP 36 H ASP 36 -8.787 1.702 -10.136 252 HA ASP 36 HA ASP 36 -11.335 0.624 -10.142 253 HB2 ASP 36 1HB ASP 36 -10.490 3.101 -10.354 254 HB3 ASP 36 2HB ASP 36 -10.645 2.799 -12.082 255 H CYS 37 H CYS 37 -8.915 0.638 -12.674 256 HA CYS 37 HA CYS 37 -10.764 -0.466 -14.626 257 HB2 CYS 37 1HB CYS 37 -8.689 -0.499 -16.086 258 HB3 CYS 37 2HB CYS 37 -9.216 1.089 -15.538 259 H ASN 38 H ASN 38 -10.354 -2.039 -12.295 260 HA ASN 38 HA ASN 38 -9.604 -4.091 -11.559 261 HB2 ASN 38 1HB ASN 38 -11.516 -4.399 -13.300 262 HB3 ASN 38 2HB ASN 38 -10.244 -5.038 -14.336 263 HD21 ASN 38 1HD2 ASN 38 -11.011 -7.108 -14.374 264 HD22 ASN 38 2HD2 ASN 38 -11.001 -8.147 -12.993 265 H HIS 39 H HIS 39 -7.446 -2.524 -12.536 266 HA HIS 39 HA HIS 39 -5.729 -4.609 -13.717 267 HB2 HIS 39 1HB HIS 39 -5.646 -1.609 -14.034 268 HB3 HIS 39 2HB HIS 39 -4.299 -2.651 -14.485 269 HD2 HIS 39 2HD HIS 39 -6.699 -4.893 -15.741 270 HE1 HIS 39 1HE HIS 39 -6.884 -1.817 -18.657 271 HE2 HIS 39 2HE HIS 39 -7.529 -4.183 -18.086 272 H SER 40 H SER 40 -4.233 -5.388 -12.399 273 HA SER 40 HA SER 40 -3.412 -3.763 -10.086 274 HB2 SER 40 1HB SER 40 -4.529 -6.182 -9.945 275 HB3 SER 40 2HB SER 40 -2.856 -6.690 -10.174 276 HG SER 40 HG SER 40 -2.792 -6.395 -8.082 277 H PHE 41 H PHE 41 -1.235 -3.595 -9.540 278 HA PHE 41 HA PHE 41 0.735 -4.753 -11.357 279 HB2 PHE 41 1HB PHE 41 0.877 -1.817 -10.718 280 HB3 PHE 41 2HB PHE 41 1.730 -2.711 -11.972 281 HD1 PHE 41 1HD PHE 41 -1.429 -1.138 -11.017 282 HD2 PHE 41 2HD PHE 41 0.665 -3.242 -14.068 283 HE1 PHE 41 1HE PHE 41 -3.169 -0.510 -12.639 284 HE2 PHE 41 2HE PHE 41 -1.071 -2.615 -15.695 285 HZ PHE 41 HZ PHE 41 -2.990 -1.247 -14.982 286 H CYS 42 H CYS 42 2.966 -4.485 -10.559 287 HA CYS 42 HA CYS 42 3.291 -5.334 -7.959 288 HB2 CYS 42 1HB CYS 42 5.349 -3.720 -9.472 289 HB3 CYS 42 2HB CYS 42 5.642 -4.933 -8.230 290 H ARG 43 H ARG 43 3.082 -4.389 -6.048 291 HA ARG 43 HA ARG 43 2.135 -1.989 -5.413 292 HB2 ARG 43 1HB ARG 43 2.653 -3.619 -3.702 293 HB3 ARG 43 2HB ARG 43 4.379 -3.401 -3.963 294 HG2 ARG 43 1HG ARG 43 3.841 -2.226 -1.991 295 HG3 ARG 43 2HG ARG 43 4.074 -1.009 -3.247 296 HD2 ARG 43 1HD ARG 43 1.775 -0.603 -3.437 297 HD3 ARG 43 2HD ARG 43 1.354 -2.101 -2.606 298 HE ARG 43 HE ARG 43 2.784 -0.079 -1.071 299 HH11 ARG 43 1HH1 ARG 43 -0.229 -1.642 -1.845 300 HH12 ARG 43 2HH1 ARG 43 -1.033 -1.091 -0.413 301 HH21 ARG 43 1HH2 ARG 43 1.736 0.653 0.818 302 HH22 ARG 43 2HH2 ARG 43 0.085 0.215 1.101 303 H ALA 44 H ALA 44 5.578 -2.595 -6.033 304 HA ALA 44 HA ALA 44 6.377 0.108 -5.632 305 HB1 ALA 44 3HB ALA 44 7.948 -1.739 -5.388 306 HB2 ALA 44 1HB ALA 44 7.783 -2.120 -7.102 307 HB3 ALA 44 2HB ALA 44 8.511 -0.593 -6.604 308 H CYS 45 H CYS 45 6.230 -1.836 -8.626 309 HA CYS 45 HA CYS 45 6.747 0.012 -10.517 310 HB2 CYS 45 1HB CYS 45 4.674 -2.172 -10.508 311 HB3 CYS 45 2HB CYS 45 4.958 -1.179 -11.934 312 H ILE 46 H ILE 46 3.373 -0.650 -9.565 313 HA ILE 46 HA ILE 46 2.076 1.376 -10.786 314 HB ILE 46 HB ILE 46 0.914 -0.256 -9.399 315 HG12 ILE 46 1HG1 ILE 46 -0.527 1.508 -8.067 316 HG13 ILE 46 2HG1 ILE 46 0.463 2.667 -8.948 317 HG21 ILE 46 1HG2 ILE 46 2.400 -0.432 -7.531 318 HG22 ILE 46 2HG2 ILE 46 2.130 1.255 -7.095 319 HG23 ILE 46 3HG2 ILE 46 0.823 0.083 -6.932 320 HD11 ILE 46 3HD1 ILE 46 -0.530 0.664 -10.739 321 HD12 ILE 46 1HD1 ILE 46 -1.856 1.380 -9.823 322 HD13 ILE 46 2HD1 ILE 46 -0.774 2.410 -10.761 323 H THR 47 H THR 47 4.026 1.648 -7.867 324 HA THR 47 HA THR 47 3.349 4.380 -7.360 325 HB THR 47 HB THR 47 5.667 2.727 -6.340 326 HG1 THR 47 1HG THR 47 4.343 2.195 -4.718 327 HG21 THR 47 3HG2 THR 47 4.596 5.329 -5.249 328 HG22 THR 47 1HG2 THR 47 6.038 5.199 -6.256 329 HG23 THR 47 2HG2 THR 47 5.995 4.423 -4.673 330 H LEU 48 H LEU 48 6.418 2.874 -8.393 331 HA LEU 48 HA LEU 48 7.805 5.171 -9.019 332 HB2 LEU 48 1HB LEU 48 7.900 2.466 -10.340 333 HB3 LEU 48 2HB LEU 48 9.073 3.746 -10.640 334 HG LEU 48 HG LEU 48 8.611 2.697 -7.869 335 HD11 LEU 48 1HD1 LEU 48 10.678 1.597 -9.752 336 HD12 LEU 48 2HD1 LEU 48 9.113 0.826 -9.501 337 HD13 LEU 48 3HD1 LEU 48 10.230 1.011 -8.149 338 HD21 LEU 48 3HD2 LEU 48 11.141 3.328 -7.882 339 HD22 LEU 48 1HD2 LEU 48 9.917 4.590 -7.742 340 HD23 LEU 48 2HD2 LEU 48 10.697 4.288 -9.295 341 H ASN 49 H ASN 49 5.926 3.168 -11.297 342 HA ASN 49 HA ASN 49 6.197 4.629 -13.586 343 HB2 ASN 49 1HB ASN 49 4.843 2.468 -13.142 344 HB3 ASN 49 2HB ASN 49 3.500 3.554 -12.799 345 HD21 ASN 49 1HD2 ASN 49 5.787 2.523 -15.242 346 HD22 ASN 49 2HD2 ASN 49 4.856 3.041 -16.603 347 H TYR 50 H TYR 50 3.831 5.200 -10.998 348 HA TYR 50 HA TYR 50 2.457 7.325 -12.136 349 HB2 TYR 50 1HB TYR 50 1.467 6.557 -10.195 350 HB3 TYR 50 2HB TYR 50 2.995 6.461 -9.327 351 HD1 TYR 50 2HD TYR 50 0.311 8.722 -10.441 352 HD2 TYR 50 1HD TYR 50 3.851 8.343 -8.111 353 HE1 TYR 50 2HE TYR 50 -0.170 10.882 -9.369 354 HE2 TYR 50 1HE TYR 50 3.379 10.501 -7.031 355 HH TYR 50 HH TYR 50 0.381 12.250 -7.654 356 H GLU 51 H GLU 51 5.396 7.372 -10.147 357 HA GLU 51 HA GLU 51 5.672 10.195 -10.142 358 HB2 GLU 51 1HB GLU 51 7.795 8.080 -9.739 359 HB3 GLU 51 2HB GLU 51 7.933 9.778 -9.302 360 HG2 GLU 51 1HG GLU 51 5.913 9.391 -7.806 361 HG3 GLU 51 2HG GLU 51 6.195 7.671 -8.067 362 H SER 52 H SER 52 7.133 7.628 -12.107 363 HA SER 52 HA SER 52 8.914 9.112 -13.600 364 HB2 SER 52 1HB SER 52 8.357 6.552 -13.623 365 HB3 SER 52 2HB SER 52 7.271 6.990 -14.942 366 HG SER 52 HG SER 52 9.603 6.396 -15.395 367 H ASN 53 H ASN 53 5.458 8.586 -14.208 368 HA ASN 53 HA ASN 53 5.493 10.945 -15.961 369 HB2 ASN 53 1HB ASN 53 3.831 8.489 -16.533 370 HB3 ASN 53 2HB ASN 53 4.068 9.893 -17.569 371 HD21 ASN 53 1HD2 ASN 53 5.479 6.970 -16.329 372 HD22 ASN 53 2HD2 ASN 53 6.782 6.880 -17.460 373 H ARG 54 H ARG 54 4.528 12.329 -14.552 374 HA ARG 54 HA ARG 54 1.945 11.522 -13.399 375 HB2 ARG 54 1HB ARG 54 3.054 12.253 -11.554 376 HB3 ARG 54 2HB ARG 54 4.139 13.280 -12.483 377 HG2 ARG 54 1HG ARG 54 2.649 15.055 -12.505 378 HG3 ARG 54 2HG ARG 54 1.263 14.023 -12.146 379 HD2 ARG 54 1HD ARG 54 1.766 15.269 -10.176 380 HD3 ARG 54 2HD ARG 54 2.265 13.602 -9.895 381 HE ARG 54 HE ARG 54 4.466 14.290 -9.825 382 HH11 ARG 54 1HH1 ARG 54 2.425 16.898 -10.898 383 HH12 ARG 54 2HH1 ARG 54 3.662 18.102 -10.746 384 HH21 ARG 54 1HH2 ARG 54 6.103 15.866 -9.620 385 HH22 ARG 54 2HH2 ARG 54 5.753 17.514 -10.020 386 H ASN 55 H ASN 55 0.158 12.936 -13.523 387 HA ASN 55 HA ASN 55 0.040 14.421 -15.989 388 HB2 ASN 55 1HB ASN 55 -1.821 12.957 -15.081 389 HB3 ASN 55 2HB ASN 55 -2.114 14.213 -13.882 390 HD21 ASN 55 1HD2 ASN 55 -3.577 15.665 -14.387 391 HD22 ASN 55 2HD2 ASN 55 -4.094 16.079 -15.982 392 H THR 56 H THR 56 -0.728 16.625 -16.139 393 HA THR 56 HA THR 56 0.749 18.447 -14.667 394 HB THR 56 HB THR 56 -0.192 19.059 -16.812 395 HG1 THR 56 1HG THR 56 0.176 20.744 -15.250 396 HG21 THR 56 3HG2 THR 56 -2.280 17.888 -16.798 397 HG22 THR 56 1HG2 THR 56 -2.634 19.606 -16.972 398 HG23 THR 56 2HG2 THR 56 -2.853 18.814 -15.411 399 H ASP 57 H ASP 57 -2.521 17.258 -14.123 400 HA ASP 57 HA ASP 57 -3.181 19.088 -12.055 401 HB2 ASP 57 1HB ASP 57 -4.908 17.874 -13.287 402 HB3 ASP 57 2HB ASP 57 -4.303 16.344 -12.660 403 H GLY 58 H GLY 58 -2.003 15.731 -12.015 404 HA2 GLY 58 1HA GLY 58 -0.200 15.717 -10.079 405 HA3 GLY 58 2HA GLY 58 -1.663 15.871 -9.117 406 H LYS 59 H LYS 59 -3.384 14.226 -10.555 407 HA LYS 59 HA LYS 59 -2.806 11.713 -9.497 408 HB2 LYS 59 1HB LYS 59 -4.769 12.745 -11.494 409 HB3 LYS 59 2HB LYS 59 -4.576 11.004 -11.337 410 HG2 LYS 59 1HG LYS 59 -5.295 11.017 -9.103 411 HG3 LYS 59 2HG LYS 59 -5.109 12.767 -8.967 412 HD2 LYS 59 1HD LYS 59 -7.404 12.515 -9.195 413 HD3 LYS 59 2HD LYS 59 -6.888 12.857 -10.849 414 HE2 LYS 59 1HE LYS 59 -7.146 10.045 -9.832 415 HE3 LYS 59 2HE LYS 59 -8.537 10.925 -10.463 416 HZ1 LYS 59 3HZ LYS 59 -7.810 9.950 -12.361 417 HZ2 LYS 59 1HZ LYS 59 -6.192 9.900 -11.871 418 HZ3 LYS 59 2HZ LYS 59 -6.860 11.348 -12.432 419 H GLY 60 H GLY 60 -3.049 9.712 -11.177 420 HA2 GLY 60 1HA GLY 60 -0.952 10.079 -13.223 421 HA3 GLY 60 2HA GLY 60 -0.909 8.720 -12.109 422 H ASN 61 H ASN 61 -0.873 8.295 -14.820 423 HA ASN 61 HA ASN 61 -3.604 7.385 -15.434 424 HB2 ASN 61 1HB ASN 61 -3.057 7.476 -17.746 425 HB3 ASN 61 2HB ASN 61 -2.433 8.965 -17.043 426 HD21 ASN 61 1HD2 ASN 61 -1.727 6.986 -19.342 427 HD22 ASN 61 2HD2 ASN 61 -0.007 6.875 -19.222 428 H CYS 62 H CYS 62 -3.839 5.298 -16.476 429 HA CYS 62 HA CYS 62 -2.201 3.303 -15.203 430 HB2 CYS 62 1HB CYS 62 -4.658 3.047 -15.440 431 HB3 CYS 62 2HB CYS 62 -4.458 2.956 -17.187 432 HA PRO 63 HA PRO 63 0.672 2.866 -18.543 433 HB2 PRO 63 1HB PRO 63 1.842 0.575 -17.677 434 HB3 PRO 63 2HB PRO 63 2.164 2.152 -16.949 435 HG2 PRO 63 1HG PRO 63 0.332 -0.024 -16.019 436 HG3 PRO 63 2HG PRO 63 1.447 0.979 -15.074 437 HD2 PRO 63 1HD PRO 63 -1.214 1.466 -15.184 438 HD3 PRO 63 2HD PRO 63 -0.013 2.762 -15.008 439 H VAL 64 H VAL 64 -2.125 1.286 -18.235 440 HA VAL 64 HA VAL 64 -1.532 -0.545 -20.468 441 HB VAL 64 HB VAL 64 -3.506 -1.000 -18.226 442 HG11 VAL 64 1HG1 VAL 64 -2.856 -3.038 -20.304 443 HG12 VAL 64 2HG1 VAL 64 -4.307 -2.859 -19.315 444 HG13 VAL 64 3HG1 VAL 64 -4.025 -1.772 -20.675 445 HG21 VAL 64 3HG2 VAL 64 -2.088 -2.649 -17.404 446 HG22 VAL 64 1HG2 VAL 64 -1.185 -2.763 -18.914 447 HG23 VAL 64 2HG2 VAL 64 -0.973 -1.362 -17.864 448 H CYS 65 H CYS 65 -4.288 1.004 -18.809 449 HA CYS 65 HA CYS 65 -5.548 1.405 -21.432 450 HB2 CYS 65 1HB CYS 65 -7.633 1.785 -20.142 451 HB3 CYS 65 2HB CYS 65 -6.934 0.195 -19.850 452 H ARG 66 H ARG 66 -3.751 3.035 -19.153 453 HA ARG 66 HA ARG 66 -3.314 5.227 -18.715 454 HB2 ARG 66 1HB ARG 66 -4.343 5.381 -21.544 455 HB3 ARG 66 2HB ARG 66 -3.727 6.790 -20.692 456 HG2 ARG 66 1HG ARG 66 -1.867 6.100 -21.838 457 HG3 ARG 66 2HG ARG 66 -1.638 5.284 -20.289 458 HD2 ARG 66 1HD ARG 66 -2.148 3.214 -21.151 459 HD3 ARG 66 2HD ARG 66 -3.128 3.882 -22.455 460 HE ARG 66 HE ARG 66 -0.365 3.263 -22.562 461 HH11 ARG 66 1HH1 ARG 66 -2.712 5.581 -23.677 462 HH12 ARG 66 2HH1 ARG 66 -1.817 5.998 -25.100 463 HH21 ARG 66 1HH2 ARG 66 0.823 3.804 -24.432 464 HH22 ARG 66 2HH2 ARG 66 0.193 4.986 -25.530 465 H VAL 67 H VAL 67 -5.607 4.420 -17.512 466 HA VAL 67 HA VAL 67 -7.586 6.529 -18.014 467 HB VAL 67 HB VAL 67 -8.276 4.080 -17.866 468 HG11 VAL 67 1HG1 VAL 67 -8.099 2.898 -15.956 469 HG12 VAL 67 2HG1 VAL 67 -6.796 4.036 -15.606 470 HG13 VAL 67 3HG1 VAL 67 -8.406 4.301 -14.935 471 HG21 VAL 67 3HG2 VAL 67 -9.585 6.065 -16.009 472 HG22 VAL 67 1HG2 VAL 67 -9.868 5.924 -17.744 473 HG23 VAL 67 2HG2 VAL 67 -10.341 4.613 -16.663 474 HA PRO 68 HA PRO 68 -6.188 8.756 -14.466 475 HB2 PRO 68 1HB PRO 68 -8.366 10.343 -14.142 476 HB3 PRO 68 2HB PRO 68 -7.179 10.592 -15.428 477 HG2 PRO 68 1HG PRO 68 -9.851 9.248 -15.551 478 HG3 PRO 68 2HG PRO 68 -9.115 10.381 -16.699 479 HD2 PRO 68 1HD PRO 68 -9.140 7.705 -17.107 480 HD3 PRO 68 2HD PRO 68 -7.819 8.745 -17.676 481 H TYR 69 H TYR 69 -6.090 7.651 -12.599 482 HA TYR 69 HA TYR 69 -8.625 7.063 -11.219 483 HB2 TYR 69 1HB TYR 69 -7.525 5.072 -10.233 484 HB3 TYR 69 2HB TYR 69 -7.668 4.968 -11.984 485 HD1 TYR 69 1HD TYR 69 -5.320 5.524 -9.194 486 HD2 TYR 69 2HD TYR 69 -5.731 4.866 -13.378 487 HE1 TYR 69 1HE TYR 69 -2.902 5.102 -9.360 488 HE2 TYR 69 2HE TYR 69 -3.315 4.441 -13.554 489 HH TYR 69 HH TYR 69 -1.460 3.728 -12.101 490 HA PRO 70 HA PRO 70 -7.062 9.407 -7.847 491 HB2 PRO 70 1HB PRO 70 -8.394 8.229 -5.795 492 HB3 PRO 70 2HB PRO 70 -9.181 9.293 -6.967 493 HG2 PRO 70 1HG PRO 70 -9.120 6.301 -6.865 494 HG3 PRO 70 2HG PRO 70 -10.482 7.381 -7.215 495 HD2 PRO 70 1HD PRO 70 -9.100 6.102 -9.160 496 HD3 PRO 70 2HD PRO 70 -9.828 7.703 -9.402 497 H PHE 71 H PHE 71 -4.878 8.842 -7.775 498 HA PHE 71 HA PHE 71 -3.729 6.471 -7.003 499 HB2 PHE 71 1HB PHE 71 -2.355 8.240 -7.859 500 HB3 PHE 71 2HB PHE 71 -2.789 9.301 -6.523 501 HD1 PHE 71 1HD PHE 71 -0.898 6.274 -7.450 502 HD2 PHE 71 2HD PHE 71 -1.633 9.217 -4.463 503 HE1 PHE 71 1HE PHE 71 1.067 5.487 -6.195 504 HE2 PHE 71 2HE PHE 71 0.331 8.435 -3.205 505 HZ PHE 71 HZ PHE 71 1.684 6.569 -4.071 506 H GLY 72 H GLY 72 -4.082 5.280 -5.253 507 HA2 GLY 72 1HA GLY 72 -3.445 5.367 -2.786 508 HA3 GLY 72 2HA GLY 72 -4.632 6.661 -2.705 509 H ASN 73 H ASN 73 -6.569 5.522 -4.434 510 HA ASN 73 HA ASN 73 -7.814 3.709 -2.575 511 HB2 ASN 73 1HB ASN 73 -8.687 4.981 -5.162 512 HB3 ASN 73 2HB ASN 73 -9.664 3.750 -4.367 513 HD21 ASN 73 1HD2 ASN 73 -9.385 6.935 -4.758 514 HD22 ASN 73 2HD2 ASN 73 -10.048 7.499 -3.265 515 H LEU 74 H LEU 74 -5.541 2.513 -3.499 516 HA LEU 74 HA LEU 74 -6.426 0.576 -5.519 517 HB2 LEU 74 1HB LEU 74 -3.671 1.065 -4.397 518 HB3 LEU 74 2HB LEU 74 -4.076 -0.054 -5.696 519 HG LEU 74 HG LEU 74 -4.591 2.894 -5.946 520 HD11 LEU 74 1HD1 LEU 74 -2.453 3.192 -6.965 521 HD12 LEU 74 2HD1 LEU 74 -2.078 1.477 -6.809 522 HD13 LEU 74 3HD1 LEU 74 -2.200 2.487 -5.369 523 HD21 LEU 74 3HD2 LEU 74 -3.867 1.068 -8.179 524 HD22 LEU 74 1HD2 LEU 74 -4.928 2.477 -8.166 525 HD23 LEU 74 2HD2 LEU 74 -5.486 0.948 -7.488 526 H LYS 75 H LYS 75 -6.930 -1.445 -4.974 527 HA LYS 75 HA LYS 75 -6.498 -2.280 -2.199 528 HB2 LYS 75 1HB LYS 75 -8.284 -3.483 -4.323 529 HB3 LYS 75 2HB LYS 75 -8.213 -3.976 -2.636 530 HG2 LYS 75 1HG LYS 75 -8.830 -1.508 -2.147 531 HG3 LYS 75 2HG LYS 75 -9.355 -1.489 -3.832 532 HD2 LYS 75 1HD LYS 75 -10.264 -3.654 -1.971 533 HD3 LYS 75 2HD LYS 75 -11.072 -2.085 -1.989 534 HE2 LYS 75 1HE LYS 75 -11.779 -2.347 -4.202 535 HE3 LYS 75 2HE LYS 75 -10.609 -3.627 -4.520 536 HZ1 LYS 75 3HZ LYS 75 -12.241 -4.489 -2.437 537 HZ2 LYS 75 1HZ LYS 75 -12.168 -5.093 -4.015 538 HZ3 LYS 75 2HZ LYS 75 -13.265 -3.864 -3.630 539 HA PRO 76 HA PRO 76 -3.367 -5.164 -3.315 540 HB2 PRO 76 1HB PRO 76 -3.626 -6.912 -1.253 541 HB3 PRO 76 2HB PRO 76 -2.906 -5.308 -1.068 542 HG2 PRO 76 1HG PRO 76 -5.683 -6.224 -0.424 543 HG3 PRO 76 2HG PRO 76 -4.604 -5.176 0.515 544 HD2 PRO 76 1HD PRO 76 -6.618 -4.202 -1.012 545 HD3 PRO 76 2HD PRO 76 -5.100 -3.317 -0.755 546 H ASN 77 H ASN 77 -3.108 -7.125 -4.336 547 HA ASN 77 HA ASN 77 -5.562 -8.708 -4.736 548 HB2 ASN 77 1HB ASN 77 -4.752 -7.462 -6.753 549 HB3 ASN 77 2HB ASN 77 -3.266 -8.403 -6.682 550 HD21 ASN 77 1HD2 ASN 77 -6.173 -8.185 -8.142 551 HD22 ASN 77 2HD2 ASN 77 -6.391 -9.830 -8.623 552 H LEU 78 H LEU 78 -5.380 -10.448 -3.463 553 HA LEU 78 HA LEU 78 -2.939 -12.068 -3.714 554 HB2 LEU 78 1HB LEU 78 -4.500 -11.611 -1.176 555 HB3 LEU 78 2HB LEU 78 -3.109 -12.678 -1.356 556 HG LEU 78 HG LEU 78 -1.939 -10.421 -2.109 557 HD11 LEU 78 1HD1 LEU 78 -3.763 -8.936 -2.009 558 HD12 LEU 78 2HD1 LEU 78 -2.801 -8.604 -0.568 559 HD13 LEU 78 3HD1 LEU 78 -4.282 -9.553 -0.440 560 HD21 LEU 78 3HD2 LEU 78 -2.278 -10.524 0.809 561 HD22 LEU 78 1HD2 LEU 78 -0.814 -10.605 -0.171 562 HD23 LEU 78 2HD2 LEU 78 -1.806 -12.046 0.052 563 H HIS 79 H HIS 79 -3.539 -13.832 -4.785 564 HA HIS 79 HA HIS 79 -4.874 -15.517 -5.603 565 HB2 HIS 79 1HB HIS 79 -4.919 -15.810 -2.610 566 HB3 HIS 79 2HB HIS 79 -5.738 -16.976 -3.645 567 HD2 HIS 79 2HD HIS 79 -3.639 -18.672 -2.416 568 HE1 HIS 79 1HE HIS 79 -0.765 -17.360 -5.248 569 HE2 HIS 79 2HE HIS 79 -1.365 -19.130 -3.560 570 H VAL 80 H VAL 80 -6.277 -13.128 -5.681 571 HA VAL 80 HA VAL 80 -8.942 -13.710 -4.628 572 HB VAL 80 HB VAL 80 -8.063 -11.437 -4.308 573 HG11 VAL 80 1HG1 VAL 80 -6.887 -11.617 -6.669 574 HG12 VAL 80 2HG1 VAL 80 -8.370 -10.822 -7.200 575 HG13 VAL 80 3HG1 VAL 80 -7.348 -10.059 -5.982 576 HG21 VAL 80 3HG2 VAL 80 -10.456 -11.716 -4.409 577 HG22 VAL 80 1HG2 VAL 80 -10.016 -10.214 -5.222 578 HG23 VAL 80 2HG2 VAL 80 -10.428 -11.642 -6.170 579 H ALA 81 H ALA 81 -10.200 -14.939 -5.860 580 HA ALA 81 HA ALA 81 -10.274 -14.401 -8.754 581 HB1 ALA 81 3HB ALA 81 -9.067 -16.561 -8.035 582 HB2 ALA 81 1HB ALA 81 -10.684 -17.166 -7.676 583 HB3 ALA 81 2HB ALA 81 -10.275 -16.657 -9.315 584 H ASN 82 H ASN 82 -11.987 -13.206 -6.922 585 HA ASN 82 HA ASN 82 -14.532 -14.528 -7.583 586 HB2 ASN 82 1HB ASN 82 -13.795 -13.153 -4.992 587 HB3 ASN 82 2HB ASN 82 -15.435 -13.630 -5.424 588 HD21 ASN 82 1HD2 ASN 82 -16.080 -15.549 -4.773 589 HD22 ASN 82 2HD2 ASN 82 -15.056 -16.857 -4.299 590 H ILE 83 H ILE 83 -16.193 -13.214 -8.249 591 HA ILE 83 HA ILE 83 -17.123 -11.422 -9.307 592 HB ILE 83 HB ILE 83 -15.762 -9.800 -7.157 593 HG12 ILE 83 1HG1 ILE 83 -18.527 -10.975 -6.966 594 HG13 ILE 83 2HG1 ILE 83 -17.115 -11.862 -6.401 595 HG21 ILE 83 1HG2 ILE 83 -16.744 -8.130 -8.268 596 HG22 ILE 83 2HG2 ILE 83 -17.728 -9.233 -9.229 597 HG23 ILE 83 3HG2 ILE 83 -18.260 -8.754 -7.617 598 HD11 ILE 83 3HD1 ILE 83 -16.859 -10.555 -4.587 599 HD12 ILE 83 1HD1 ILE 83 -17.390 -9.096 -5.424 600 HD13 ILE 83 2HD1 ILE 83 -18.579 -10.262 -4.841 601 H VAL 84 H VAL 84 -14.826 -12.214 -10.554 602 HA VAL 84 HA VAL 84 -12.960 -10.098 -10.943 603 HB VAL 84 HB VAL 84 -12.121 -11.405 -12.825 604 HG11 VAL 84 1HG1 VAL 84 -12.142 -12.168 -10.171 605 HG12 VAL 84 2HG1 VAL 84 -12.568 -13.647 -11.034 606 HG13 VAL 84 3HG1 VAL 84 -11.075 -12.793 -11.428 607 HG21 VAL 84 3HG2 VAL 84 -13.195 -13.532 -13.444 608 HG22 VAL 84 1HG2 VAL 84 -14.534 -13.155 -12.360 609 HG23 VAL 84 2HG2 VAL 84 -14.231 -12.143 -13.772 610 H GLU 85 H GLU 85 -16.069 -10.818 -12.237 611 HA GLU 85 HA GLU 85 -15.882 -9.500 -14.719 612 HB2 GLU 85 1HB GLU 85 -17.748 -11.045 -13.748 613 HB3 GLU 85 2HB GLU 85 -18.419 -9.545 -13.122 614 HG2 GLU 85 1HG GLU 85 -17.807 -10.078 -16.019 615 HG3 GLU 85 2HG GLU 85 -19.397 -10.229 -15.274 Start of MODEL 8 1 H1 GLY 1 H GLY 1 22.480 17.014 5.687 2 HA2 GLY 1 1HA GLY 1 21.428 17.144 3.004 3 HA3 GLY 1 2HA GLY 1 23.081 16.553 3.083 4 H SER 2 H SER 2 22.094 14.612 2.122 5 HA SER 2 HA SER 2 21.523 12.680 4.183 6 HB2 SER 2 1HB SER 2 19.409 11.892 3.181 7 HB3 SER 2 2HB SER 2 19.271 13.552 3.763 8 HG SER 2 HG SER 2 19.635 14.227 1.581 9 H SER 3 H SER 3 21.541 10.474 3.373 10 HA SER 3 HA SER 3 23.022 10.258 0.835 11 HB2 SER 3 1HB SER 3 24.032 8.195 1.800 12 HB3 SER 3 2HB SER 3 24.418 9.645 2.727 13 HG SER 3 HG SER 3 22.535 9.007 4.060 14 H GLY 4 H GLY 4 20.763 8.508 2.960 15 HA2 GLY 4 1HA GLY 4 18.681 7.695 1.968 16 HA3 GLY 4 2HA GLY 4 19.607 7.291 0.529 17 H SER 5 H SER 5 18.211 5.275 1.232 18 HA SER 5 HA SER 5 20.096 3.325 2.144 19 HB2 SER 5 1HB SER 5 17.917 4.262 3.960 20 HB3 SER 5 2HB SER 5 18.313 2.543 3.946 21 HG SER 5 HG SER 5 19.507 4.192 5.393 22 H SER 6 H SER 6 19.338 1.150 1.868 23 HA SER 6 HA SER 6 16.864 0.935 0.284 24 HB2 SER 6 1HB SER 6 19.116 0.833 -1.010 25 HB3 SER 6 2HB SER 6 19.268 -0.774 -0.300 26 HG SER 6 HG SER 6 18.098 -1.331 -1.961 27 H GLY 7 H GLY 7 16.379 -1.560 -0.020 28 HA2 GLY 7 1HA GLY 7 17.073 -3.177 2.275 29 HA3 GLY 7 2HA GLY 7 15.410 -2.609 2.273 30 H MET 8 H MET 8 15.653 -5.230 2.299 31 HA MET 8 HA MET 8 15.181 -6.060 -0.490 32 HB2 MET 8 1HB MET 8 16.481 -7.527 1.791 33 HB3 MET 8 2HB MET 8 15.786 -8.394 0.428 34 HG2 MET 8 1HG MET 8 17.959 -8.214 -0.240 35 HG3 MET 8 2HG MET 8 17.269 -6.773 -0.981 36 HE1 MET 8 3HE MET 8 20.049 -4.548 -0.184 37 HE2 MET 8 1HE MET 8 19.172 -5.501 -1.382 38 HE3 MET 8 2HE MET 8 18.328 -4.263 -0.451 39 H ALA 9 H ALA 9 13.778 -8.106 -0.571 40 HA ALA 9 HA ALA 9 11.785 -8.235 1.551 41 HB1 ALA 9 3HB ALA 9 9.963 -8.083 -0.245 42 HB2 ALA 9 1HB ALA 9 10.728 -6.584 0.283 43 HB3 ALA 9 2HB ALA 9 11.201 -7.324 -1.247 44 H SER 10 H SER 10 11.644 -10.326 2.004 45 HA SER 10 HA SER 10 12.361 -12.348 0.092 46 HB2 SER 10 1HB SER 10 11.474 -12.366 2.961 47 HB3 SER 10 2HB SER 10 11.520 -13.868 2.040 48 HG SER 10 HG SER 10 13.486 -13.286 3.233 49 H SER 11 H SER 11 10.859 -14.342 -0.039 50 HA SER 11 HA SER 11 8.057 -13.993 0.108 51 HB2 SER 11 1HB SER 11 8.526 -12.450 -1.789 52 HB3 SER 11 2HB SER 11 9.212 -13.805 -2.685 53 HG SER 11 HG SER 11 7.268 -14.398 -3.188 54 H VAL 12 H VAL 12 7.313 -15.979 0.399 55 HA VAL 12 HA VAL 12 8.835 -18.299 0.050 56 HB VAL 12 HB VAL 12 6.789 -19.553 0.491 57 HG11 VAL 12 1HG1 VAL 12 6.970 -19.024 2.643 58 HG12 VAL 12 2HG1 VAL 12 7.956 -17.643 2.158 59 HG13 VAL 12 3HG1 VAL 12 6.216 -17.452 2.379 60 HG21 VAL 12 3HG2 VAL 12 5.549 -17.156 -0.573 61 HG22 VAL 12 1HG2 VAL 12 4.891 -18.782 -0.391 62 HG23 VAL 12 2HG2 VAL 12 4.832 -17.650 0.960 63 H LEU 13 H LEU 13 8.515 -20.093 -1.380 64 HA LEU 13 HA LEU 13 8.561 -19.483 -4.072 65 HB2 LEU 13 1HB LEU 13 8.099 -21.989 -2.531 66 HB3 LEU 13 2HB LEU 13 7.840 -22.006 -4.274 67 HG LEU 13 HG LEU 13 10.430 -20.991 -3.185 68 HD11 LEU 13 1HD1 LEU 13 9.836 -23.907 -3.650 69 HD12 LEU 13 2HD1 LEU 13 9.959 -23.157 -2.059 70 HD13 LEU 13 3HD1 LEU 13 11.362 -23.195 -3.126 71 HD21 LEU 13 3HD2 LEU 13 10.332 -20.689 -5.472 72 HD22 LEU 13 1HD2 LEU 13 9.405 -22.167 -5.734 73 HD23 LEU 13 2HD2 LEU 13 11.123 -22.261 -5.347 74 H GLU 14 H GLU 14 7.008 -18.566 -5.237 75 HA GLU 14 HA GLU 14 4.229 -19.447 -4.810 76 HB2 GLU 14 1HB GLU 14 5.367 -16.791 -5.651 77 HB3 GLU 14 2HB GLU 14 3.688 -17.211 -5.962 78 HG2 GLU 14 1HG GLU 14 3.225 -17.404 -3.635 79 HG3 GLU 14 2HG GLU 14 4.934 -17.264 -3.227 80 H MET 15 H MET 15 2.986 -20.036 -6.551 81 HA MET 15 HA MET 15 4.043 -21.349 -8.671 82 HB2 MET 15 1HB MET 15 1.537 -20.925 -7.870 83 HB3 MET 15 2HB MET 15 1.556 -19.811 -9.231 84 HG2 MET 15 1HG MET 15 0.690 -21.938 -9.933 85 HG3 MET 15 2HG MET 15 2.248 -21.649 -10.702 86 HE1 MET 15 3HE MET 15 0.969 -23.204 -7.205 87 HE2 MET 15 1HE MET 15 0.081 -23.857 -8.582 88 HE3 MET 15 2HE MET 15 1.177 -24.893 -7.668 89 H ILE 16 H ILE 16 4.508 -20.915 -10.838 90 HA ILE 16 HA ILE 16 5.384 -18.178 -11.333 91 HB ILE 16 HB ILE 16 5.877 -20.710 -12.904 92 HG12 ILE 16 1HG1 ILE 16 7.019 -20.703 -10.751 93 HG13 ILE 16 2HG1 ILE 16 8.186 -20.476 -12.049 94 HG21 ILE 16 1HG2 ILE 16 6.851 -17.892 -13.313 95 HG22 ILE 16 2HG2 ILE 16 7.619 -19.299 -14.047 96 HG23 ILE 16 3HG2 ILE 16 5.947 -18.903 -14.441 97 HD11 ILE 16 3HD1 ILE 16 7.360 -18.644 -9.895 98 HD12 ILE 16 1HD1 ILE 16 8.930 -18.862 -10.668 99 HD13 ILE 16 2HD1 ILE 16 7.675 -17.918 -11.471 100 H LYS 17 H LYS 17 3.281 -17.272 -11.654 101 HA LYS 17 HA LYS 17 1.543 -18.204 -13.713 102 HB2 LYS 17 1HB LYS 17 1.140 -16.620 -11.608 103 HB3 LYS 17 2HB LYS 17 1.440 -15.368 -12.806 104 HG2 LYS 17 1HG LYS 17 -0.796 -15.534 -13.064 105 HG3 LYS 17 2HG LYS 17 -0.325 -16.826 -14.172 106 HD2 LYS 17 1HD LYS 17 -0.672 -17.561 -11.323 107 HD3 LYS 17 2HD LYS 17 -2.134 -17.161 -12.228 108 HE2 LYS 17 1HE LYS 17 -0.071 -19.174 -13.116 109 HE3 LYS 17 2HE LYS 17 -1.553 -19.583 -12.252 110 HZ1 LYS 17 3HZ LYS 17 -2.404 -18.049 -14.335 111 HZ2 LYS 17 1HZ LYS 17 -2.476 -19.738 -14.253 112 HZ3 LYS 17 2HZ LYS 17 -1.172 -18.983 -15.023 113 H GLU 18 H GLU 18 1.537 -17.770 -15.831 114 HA GLU 18 HA GLU 18 3.323 -15.642 -16.812 115 HB2 GLU 18 1HB GLU 18 3.663 -17.061 -18.842 116 HB3 GLU 18 2HB GLU 18 4.333 -17.744 -17.367 117 HG2 GLU 18 1HG GLU 18 3.155 -19.364 -18.861 118 HG3 GLU 18 2HG GLU 18 2.587 -19.327 -17.193 119 H GLU 19 H GLU 19 0.487 -15.480 -16.182 120 HA GLU 19 HA GLU 19 -0.518 -14.812 -18.867 121 HB2 GLU 19 1HB GLU 19 -2.772 -15.431 -18.161 122 HB3 GLU 19 2HB GLU 19 -1.679 -16.802 -18.025 123 HG2 GLU 19 1HG GLU 19 -1.673 -16.734 -15.709 124 HG3 GLU 19 2HG GLU 19 -2.232 -15.063 -15.659 125 H VAL 20 H VAL 20 -0.476 -14.067 -15.433 126 HA VAL 20 HA VAL 20 -1.613 -11.415 -16.030 127 HB VAL 20 HB VAL 20 -2.112 -11.271 -13.595 128 HG11 VAL 20 1HG1 VAL 20 -3.947 -11.831 -14.934 129 HG12 VAL 20 2HG1 VAL 20 -3.325 -13.448 -15.268 130 HG13 VAL 20 3HG1 VAL 20 -3.946 -13.055 -13.665 131 HG21 VAL 20 3HG2 VAL 20 -0.486 -13.600 -13.514 132 HG22 VAL 20 1HG2 VAL 20 -1.220 -12.723 -12.172 133 HG23 VAL 20 2HG2 VAL 20 -2.100 -14.037 -12.953 134 H THR 21 H THR 21 1.261 -12.624 -16.006 135 HA THR 21 HA THR 21 2.804 -11.512 -14.008 136 HB THR 21 HB THR 21 3.670 -11.578 -16.898 137 HG1 THR 21 1HG THR 21 2.774 -13.612 -15.432 138 HG21 THR 21 3HG2 THR 21 5.872 -11.984 -15.972 139 HG22 THR 21 1HG2 THR 21 5.210 -12.022 -14.338 140 HG23 THR 21 2HG2 THR 21 5.196 -10.519 -15.261 141 H CYS 22 H CYS 22 3.915 -9.567 -13.748 142 HA CYS 22 HA CYS 22 2.554 -7.223 -14.320 143 HB2 CYS 22 1HB CYS 22 4.444 -7.674 -12.614 144 HB3 CYS 22 2HB CYS 22 5.537 -7.267 -13.933 145 HA PRO 23 HA PRO 23 3.505 -6.731 -18.642 146 HB2 PRO 23 1HB PRO 23 2.214 -4.362 -18.942 147 HB3 PRO 23 2HB PRO 23 1.369 -5.913 -18.858 148 HG2 PRO 23 1HG PRO 23 1.795 -3.868 -16.713 149 HG3 PRO 23 2HG PRO 23 0.332 -4.790 -17.106 150 HD2 PRO 23 1HD PRO 23 1.972 -5.463 -15.059 151 HD3 PRO 23 2HD PRO 23 1.066 -6.670 -15.993 152 H ILE 24 H ILE 24 4.859 -5.208 -16.072 153 HA ILE 24 HA ILE 24 6.312 -3.260 -17.733 154 HB ILE 24 HB ILE 24 5.931 -3.353 -14.740 155 HG12 ILE 24 1HG1 ILE 24 5.128 -1.215 -16.718 156 HG13 ILE 24 2HG1 ILE 24 4.047 -2.504 -16.200 157 HG21 ILE 24 1HG2 ILE 24 7.568 -1.438 -16.397 158 HG22 ILE 24 2HG2 ILE 24 7.223 -1.266 -14.677 159 HG23 ILE 24 3HG2 ILE 24 8.190 -2.624 -15.250 160 HD11 ILE 24 3HD1 ILE 24 5.248 -1.140 -13.952 161 HD12 ILE 24 1HD1 ILE 24 4.370 -0.035 -15.009 162 HD13 ILE 24 2HD1 ILE 24 3.549 -1.437 -14.322 163 H CYS 25 H CYS 25 6.971 -5.226 -14.826 164 HA CYS 25 HA CYS 25 9.743 -5.515 -15.648 165 HB2 CYS 25 1HB CYS 25 9.933 -6.747 -13.443 166 HB3 CYS 25 2HB CYS 25 9.453 -5.057 -13.330 167 H LEU 26 H LEU 26 6.805 -7.342 -15.622 168 HA LEU 26 HA LEU 26 6.263 -9.371 -16.500 169 HB2 LEU 26 1HB LEU 26 9.088 -9.434 -17.544 170 HB3 LEU 26 2HB LEU 26 7.730 -10.408 -18.105 171 HG LEU 26 HG LEU 26 7.718 -7.412 -18.328 172 HD11 LEU 26 1HD1 LEU 26 8.857 -7.425 -20.311 173 HD12 LEU 26 2HD1 LEU 26 8.501 -9.121 -20.634 174 HD13 LEU 26 3HD1 LEU 26 9.727 -8.690 -19.442 175 HD21 LEU 26 3HD2 LEU 26 6.302 -9.608 -19.836 176 HD22 LEU 26 1HD2 LEU 26 6.132 -7.877 -20.129 177 HD23 LEU 26 2HD2 LEU 26 5.589 -8.569 -18.600 178 H GLU 27 H GLU 27 6.770 -9.452 -13.904 179 HA GLU 27 HA GLU 27 7.893 -12.099 -13.548 180 HB2 GLU 27 1HB GLU 27 9.561 -11.568 -12.006 181 HB3 GLU 27 2HB GLU 27 9.746 -10.330 -13.240 182 HG2 GLU 27 1HG GLU 27 8.265 -8.876 -11.761 183 HG3 GLU 27 2HG GLU 27 8.558 -10.074 -10.501 184 H LEU 28 H LEU 28 7.393 -13.013 -11.437 185 HA LEU 28 HA LEU 28 4.854 -12.985 -10.647 186 HB2 LEU 28 1HB LEU 28 7.368 -13.372 -9.115 187 HB3 LEU 28 2HB LEU 28 5.861 -13.271 -8.207 188 HG LEU 28 HG LEU 28 6.382 -15.253 -10.420 189 HD11 LEU 28 1HD1 LEU 28 6.684 -16.905 -8.675 190 HD12 LEU 28 2HD1 LEU 28 6.481 -15.668 -7.436 191 HD13 LEU 28 3HD1 LEU 28 7.880 -15.619 -8.508 192 HD21 LEU 28 3HD2 LEU 28 4.406 -16.167 -8.688 193 HD22 LEU 28 1HD2 LEU 28 4.180 -15.539 -10.321 194 HD23 LEU 28 2HD2 LEU 28 4.036 -14.460 -8.934 195 H LEU 29 H LEU 29 3.429 -11.537 -9.968 196 HA LEU 29 HA LEU 29 4.120 -8.870 -9.358 197 HB2 LEU 29 1HB LEU 29 1.564 -10.403 -8.924 198 HB3 LEU 29 2HB LEU 29 1.727 -8.666 -8.677 199 HG LEU 29 HG LEU 29 2.442 -9.792 -11.340 200 HD11 LEU 29 1HD1 LEU 29 -0.389 -9.310 -10.424 201 HD12 LEU 29 2HD1 LEU 29 0.319 -10.878 -10.809 202 HD13 LEU 29 3HD1 LEU 29 0.125 -9.664 -12.074 203 HD21 LEU 29 3HD2 LEU 29 2.489 -7.638 -11.867 204 HD22 LEU 29 1HD2 LEU 29 2.153 -7.245 -10.180 205 HD23 LEU 29 2HD2 LEU 29 0.823 -7.432 -11.323 206 H LYS 30 H LYS 30 5.014 -8.139 -7.557 207 HA LYS 30 HA LYS 30 4.710 -9.647 -5.072 208 HB2 LYS 30 1HB LYS 30 6.625 -7.544 -6.028 209 HB3 LYS 30 2HB LYS 30 6.451 -7.862 -4.307 210 HG2 LYS 30 1HG LYS 30 7.309 -10.009 -4.486 211 HG3 LYS 30 2HG LYS 30 6.992 -10.097 -6.220 212 HD2 LYS 30 1HD LYS 30 8.875 -8.015 -5.235 213 HD3 LYS 30 2HD LYS 30 9.428 -9.691 -5.271 214 HE2 LYS 30 1HE LYS 30 8.188 -8.296 -7.635 215 HE3 LYS 30 2HE LYS 30 9.925 -8.338 -7.335 216 HZ1 LYS 30 3HZ LYS 30 8.869 -10.946 -7.157 217 HZ2 LYS 30 1HZ LYS 30 10.026 -10.342 -8.234 218 HZ3 LYS 30 2HZ LYS 30 8.382 -10.252 -8.621 219 H GLU 31 H GLU 31 2.984 -9.119 -3.898 220 HA GLU 31 HA GLU 31 1.323 -7.898 -2.915 221 HB2 GLU 31 1HB GLU 31 3.845 -6.386 -2.461 222 HB3 GLU 31 2HB GLU 31 2.335 -5.591 -2.035 223 HG2 GLU 31 1HG GLU 31 1.760 -7.396 -0.540 224 HG3 GLU 31 2HG GLU 31 3.200 -8.290 -1.023 225 HA PRO 32 HA PRO 32 0.920 -5.161 -6.750 226 HB2 PRO 32 1HB PRO 32 -0.981 -6.638 -8.005 227 HB3 PRO 32 2HB PRO 32 0.751 -6.893 -8.250 228 HG2 PRO 32 1HG PRO 32 -1.156 -8.396 -6.499 229 HG3 PRO 32 2HG PRO 32 0.121 -9.022 -7.558 230 HD2 PRO 32 1HD PRO 32 0.439 -8.776 -4.880 231 HD3 PRO 32 2HD PRO 32 1.783 -8.581 -6.023 232 H VAL 33 H VAL 33 -1.045 -4.015 -7.422 233 HA VAL 33 HA VAL 33 -3.268 -4.209 -5.513 234 HB VAL 33 HB VAL 33 -3.371 -1.798 -5.254 235 HG11 VAL 33 1HG1 VAL 33 -2.150 -2.357 -3.462 236 HG12 VAL 33 2HG1 VAL 33 -1.068 -3.385 -4.404 237 HG13 VAL 33 3HG1 VAL 33 -0.798 -1.642 -4.341 238 HG21 VAL 33 3HG2 VAL 33 -2.528 -0.588 -6.939 239 HG22 VAL 33 1HG2 VAL 33 -0.982 -0.763 -6.108 240 HG23 VAL 33 2HG2 VAL 33 -1.409 -1.865 -7.417 241 H SER 34 H SER 34 -5.133 -4.373 -6.553 242 HA SER 34 HA SER 34 -5.351 -4.085 -9.360 243 HB2 SER 34 1HB SER 34 -7.507 -4.328 -7.248 244 HB3 SER 34 2HB SER 34 -7.778 -4.471 -8.984 245 HG SER 34 HG SER 34 -7.515 -6.517 -8.058 246 H ALA 35 H ALA 35 -6.720 -2.626 -10.539 247 HA ALA 35 HA ALA 35 -7.190 -0.050 -9.197 248 HB1 ALA 35 3HB ALA 35 -6.436 1.104 -11.249 249 HB2 ALA 35 1HB ALA 35 -5.150 0.189 -10.460 250 HB3 ALA 35 2HB ALA 35 -5.930 -0.453 -11.907 251 H ASP 36 H ASP 36 -8.522 1.417 -10.776 252 HA ASP 36 HA ASP 36 -11.064 0.385 -11.015 253 HB2 ASP 36 1HB ASP 36 -10.860 2.732 -11.076 254 HB3 ASP 36 2HB ASP 36 -9.706 2.683 -12.407 255 H CYS 37 H CYS 37 -8.467 0.404 -13.395 256 HA CYS 37 HA CYS 37 -10.156 -0.802 -15.424 257 HB2 CYS 37 1HB CYS 37 -8.027 -0.808 -16.767 258 HB3 CYS 37 2HB CYS 37 -8.553 0.783 -16.227 259 H ASN 38 H ASN 38 -9.897 -2.320 -13.046 260 HA ASN 38 HA ASN 38 -9.144 -4.335 -12.205 261 HB2 ASN 38 1HB ASN 38 -9.726 -5.221 -15.034 262 HB3 ASN 38 2HB ASN 38 -9.897 -6.163 -13.555 263 HD21 ASN 38 1HD2 ASN 38 -11.929 -6.465 -13.047 264 HD22 ASN 38 2HD2 ASN 38 -13.215 -5.327 -13.242 265 H HIS 39 H HIS 39 -6.945 -2.792 -13.035 266 HA HIS 39 HA HIS 39 -5.140 -4.890 -14.048 267 HB2 HIS 39 1HB HIS 39 -5.025 -1.908 -14.531 268 HB3 HIS 39 2HB HIS 39 -3.722 -3.020 -14.940 269 HD2 HIS 39 2HD HIS 39 -6.298 -5.187 -16.049 270 HE1 HIS 39 1HE HIS 39 -6.232 -2.305 -19.161 271 HE2 HIS 39 2HE HIS 39 -7.066 -4.569 -18.440 272 H SER 40 H SER 40 -3.735 -5.556 -12.578 273 HA SER 40 HA SER 40 -3.020 -3.729 -10.382 274 HB2 SER 40 1HB SER 40 -2.413 -5.854 -9.151 275 HB3 SER 40 2HB SER 40 -4.129 -5.662 -9.505 276 HG SER 40 HG SER 40 -2.842 -6.927 -11.523 277 H PHE 41 H PHE 41 -0.852 -3.674 -9.649 278 HA PHE 41 HA PHE 41 1.179 -4.975 -11.276 279 HB2 PHE 41 1HB PHE 41 1.425 -2.010 -10.887 280 HB3 PHE 41 2HB PHE 41 2.221 -3.044 -12.069 281 HD1 PHE 41 1HD PHE 41 -0.988 -1.458 -11.169 282 HD2 PHE 41 2HD PHE 41 1.267 -3.437 -14.187 283 HE1 PHE 41 1HE PHE 41 -2.696 -0.855 -12.835 284 HE2 PHE 41 2HE PHE 41 -0.436 -2.837 -15.859 285 HZ PHE 41 HZ PHE 41 -2.420 -1.544 -15.184 286 H CYS 42 H CYS 42 3.314 -4.854 -10.346 287 HA CYS 42 HA CYS 42 3.502 -5.427 -7.696 288 HB2 CYS 42 1HB CYS 42 5.659 -3.942 -9.204 289 HB3 CYS 42 2HB CYS 42 5.872 -5.046 -7.849 290 H ARG 43 H ARG 43 3.271 -4.356 -5.850 291 HA ARG 43 HA ARG 43 2.273 -1.935 -5.410 292 HB2 ARG 43 1HB ARG 43 3.256 -3.755 -3.752 293 HB3 ARG 43 2HB ARG 43 4.594 -2.618 -3.665 294 HG2 ARG 43 1HG ARG 43 3.098 -0.866 -2.922 295 HG3 ARG 43 2HG ARG 43 1.716 -1.951 -3.087 296 HD2 ARG 43 1HD ARG 43 2.393 -1.811 -0.765 297 HD3 ARG 43 2HD ARG 43 2.699 -3.432 -1.389 298 HE ARG 43 HE ARG 43 5.076 -2.300 -1.749 299 HH11 ARG 43 1HH1 ARG 43 2.927 -2.215 0.989 300 HH12 ARG 43 2HH1 ARG 43 4.202 -2.054 2.150 301 HH21 ARG 43 1HH2 ARG 43 6.763 -2.088 -0.229 302 HH22 ARG 43 2HH2 ARG 43 6.384 -1.981 1.456 303 H ALA 44 H ALA 44 5.685 -2.540 -6.097 304 HA ALA 44 HA ALA 44 6.449 0.211 -5.820 305 HB1 ALA 44 3HB ALA 44 7.799 -2.205 -5.920 306 HB2 ALA 44 1HB ALA 44 8.262 -1.390 -7.414 307 HB3 ALA 44 2HB ALA 44 8.522 -0.598 -5.859 308 H CYS 45 H CYS 45 6.457 -1.955 -8.660 309 HA CYS 45 HA CYS 45 6.949 -0.259 -10.679 310 HB2 CYS 45 1HB CYS 45 4.941 -2.492 -10.517 311 HB3 CYS 45 2HB CYS 45 5.172 -1.590 -12.011 312 H ILE 46 H ILE 46 3.606 -0.847 -9.574 313 HA ILE 46 HA ILE 46 2.304 1.067 -11.032 314 HB ILE 46 HB ILE 46 1.100 -0.502 -9.624 315 HG12 ILE 46 1HG1 ILE 46 0.331 2.127 -8.438 316 HG13 ILE 46 2HG1 ILE 46 0.287 1.962 -10.190 317 HG21 ILE 46 1HG2 ILE 46 1.496 1.007 -7.131 318 HG22 ILE 46 2HG2 ILE 46 1.352 -0.729 -7.399 319 HG23 ILE 46 3HG2 ILE 46 2.891 0.083 -7.688 320 HD11 ILE 46 3HD1 ILE 46 -1.843 1.365 -9.682 321 HD12 ILE 46 1HD1 ILE 46 -1.070 -0.217 -9.599 322 HD13 ILE 46 2HD1 ILE 46 -1.400 0.683 -8.118 323 H THR 47 H THR 47 4.216 1.511 -8.122 324 HA THR 47 HA THR 47 3.461 4.247 -7.732 325 HB THR 47 HB THR 47 5.871 2.794 -6.626 326 HG1 THR 47 1HG THR 47 3.166 2.779 -5.945 327 HG21 THR 47 3HG2 THR 47 5.068 5.507 -6.481 328 HG22 THR 47 1HG2 THR 47 6.391 4.714 -5.627 329 HG23 THR 47 2HG2 THR 47 4.788 4.787 -4.896 330 H LEU 48 H LEU 48 6.612 2.799 -8.587 331 HA LEU 48 HA LEU 48 7.974 5.054 -9.297 332 HB2 LEU 48 1HB LEU 48 8.592 2.487 -9.345 333 HB3 LEU 48 2HB LEU 48 8.259 2.678 -11.065 334 HG LEU 48 HG LEU 48 10.230 4.416 -9.600 335 HD11 LEU 48 1HD1 LEU 48 11.002 2.030 -11.239 336 HD12 LEU 48 2HD1 LEU 48 10.706 1.891 -9.506 337 HD13 LEU 48 3HD1 LEU 48 11.975 2.962 -10.100 338 HD21 LEU 48 3HD2 LEU 48 10.121 3.694 -12.516 339 HD22 LEU 48 1HD2 LEU 48 11.007 5.007 -11.740 340 HD23 LEU 48 2HD2 LEU 48 9.248 5.074 -11.849 341 H ASN 49 H ASN 49 6.043 3.047 -11.525 342 HA ASN 49 HA ASN 49 6.337 4.500 -13.835 343 HB2 ASN 49 1HB ASN 49 5.071 2.322 -13.511 344 HB3 ASN 49 2HB ASN 49 3.703 3.296 -12.979 345 HD21 ASN 49 1HD2 ASN 49 5.897 2.718 -15.667 346 HD22 ASN 49 2HD2 ASN 49 4.806 3.229 -16.906 347 H TYR 50 H TYR 50 3.975 5.041 -11.241 348 HA TYR 50 HA TYR 50 2.675 7.228 -12.464 349 HB2 TYR 50 1HB TYR 50 1.439 6.284 -10.741 350 HB3 TYR 50 2HB TYR 50 2.831 6.161 -9.671 351 HD1 TYR 50 2HD TYR 50 0.323 8.479 -11.070 352 HD2 TYR 50 1HD TYR 50 3.410 7.939 -8.192 353 HE1 TYR 50 2HE TYR 50 -0.361 10.562 -9.953 354 HE2 TYR 50 1HE TYR 50 2.735 10.019 -7.068 355 HH TYR 50 HH TYR 50 -0.189 11.587 -7.706 356 H GLU 51 H GLU 51 4.881 7.290 -9.658 357 HA GLU 51 HA GLU 51 5.316 9.908 -9.314 358 HB2 GLU 51 1HB GLU 51 7.483 7.802 -9.417 359 HB3 GLU 51 2HB GLU 51 7.661 9.391 -8.685 360 HG2 GLU 51 1HG GLU 51 5.875 7.146 -7.796 361 HG3 GLU 51 2HG GLU 51 7.250 7.842 -6.941 362 H SER 52 H SER 52 6.942 7.969 -11.809 363 HA SER 52 HA SER 52 8.474 10.049 -12.907 364 HB2 SER 52 1HB SER 52 8.582 7.474 -13.311 365 HB3 SER 52 2HB SER 52 7.419 7.800 -14.595 366 HG SER 52 HG SER 52 9.187 9.573 -15.020 367 H ASN 53 H ASN 53 5.372 8.687 -14.016 368 HA ASN 53 HA ASN 53 4.939 11.154 -15.563 369 HB2 ASN 53 1HB ASN 53 3.111 9.620 -16.656 370 HB3 ASN 53 2HB ASN 53 4.798 9.457 -17.134 371 HD21 ASN 53 1HD2 ASN 53 5.721 7.530 -16.976 372 HD22 ASN 53 2HD2 ASN 53 5.049 6.161 -16.164 373 H ARG 54 H ARG 54 3.851 12.524 -14.275 374 HA ARG 54 HA ARG 54 1.399 11.515 -12.987 375 HB2 ARG 54 1HB ARG 54 3.253 13.704 -12.031 376 HB3 ARG 54 2HB ARG 54 1.710 13.302 -11.289 377 HG2 ARG 54 1HG ARG 54 2.491 11.205 -10.556 378 HG3 ARG 54 2HG ARG 54 3.925 11.298 -11.581 379 HD2 ARG 54 1HD ARG 54 4.771 11.825 -9.493 380 HD3 ARG 54 2HD ARG 54 4.476 13.415 -10.196 381 HE ARG 54 HE ARG 54 2.180 12.917 -8.877 382 HH11 ARG 54 1HH1 ARG 54 5.528 12.747 -7.938 383 HH12 ARG 54 2HH1 ARG 54 5.217 13.135 -6.278 384 HH21 ARG 54 1HH2 ARG 54 1.758 13.429 -6.695 385 HH22 ARG 54 2HH2 ARG 54 3.072 13.521 -5.572 386 H ASN 55 H ASN 55 -0.022 13.587 -12.395 387 HA ASN 55 HA ASN 55 -0.101 15.362 -14.735 388 HB2 ASN 55 1HB ASN 55 -2.495 13.962 -13.523 389 HB3 ASN 55 2HB ASN 55 -2.543 15.126 -14.844 390 HD21 ASN 55 1HD2 ASN 55 -2.561 11.928 -14.105 391 HD22 ASN 55 2HD2 ASN 55 -2.032 11.279 -15.616 392 H THR 56 H THR 56 -1.583 17.255 -14.366 393 HA THR 56 HA THR 56 -0.789 18.742 -12.176 394 HB THR 56 HB THR 56 -1.759 19.776 -14.165 395 HG1 THR 56 1HG THR 56 -3.378 21.125 -12.904 396 HG21 THR 56 3HG2 THR 56 -3.648 17.901 -14.142 397 HG22 THR 56 1HG2 THR 56 -3.896 19.468 -14.910 398 HG23 THR 56 2HG2 THR 56 -4.533 19.168 -13.293 399 H ASP 57 H ASP 57 -3.706 16.781 -12.582 400 HA ASP 57 HA ASP 57 -4.617 17.433 -9.899 401 HB2 ASP 57 1HB ASP 57 -5.822 15.484 -11.872 402 HB3 ASP 57 2HB ASP 57 -6.595 16.159 -10.441 403 H GLY 58 H GLY 58 -2.135 16.175 -9.898 404 HA2 GLY 58 1HA GLY 58 -0.998 14.292 -9.172 405 HA3 GLY 58 2HA GLY 58 -2.251 14.325 -7.940 406 H LYS 59 H LYS 59 -2.573 13.608 -11.393 407 HA LYS 59 HA LYS 59 -3.731 11.012 -10.656 408 HB2 LYS 59 1HB LYS 59 -4.056 12.808 -13.045 409 HB3 LYS 59 2HB LYS 59 -4.509 11.110 -13.124 410 HG2 LYS 59 1HG LYS 59 -5.566 12.731 -10.873 411 HG3 LYS 59 2HG LYS 59 -6.244 12.989 -12.482 412 HD2 LYS 59 1HD LYS 59 -7.062 10.819 -12.622 413 HD3 LYS 59 2HD LYS 59 -5.952 10.216 -11.388 414 HE2 LYS 59 1HE LYS 59 -7.231 11.036 -9.651 415 HE3 LYS 59 2HE LYS 59 -7.992 12.269 -10.654 416 HZ1 LYS 59 3HZ LYS 59 -9.608 10.874 -11.273 417 HZ2 LYS 59 1HZ LYS 59 -9.148 9.953 -9.930 418 HZ3 LYS 59 2HZ LYS 59 -8.560 9.560 -11.466 419 H GLY 60 H GLY 60 -3.393 9.274 -12.399 420 HA2 GLY 60 1HA GLY 60 -0.675 9.406 -13.518 421 HA3 GLY 60 2HA GLY 60 -1.107 8.067 -12.464 422 H ASN 61 H ASN 61 -0.218 7.774 -15.125 423 HA ASN 61 HA ASN 61 -2.661 6.944 -16.537 424 HB2 ASN 61 1HB ASN 61 -1.264 6.897 -18.570 425 HB3 ASN 61 2HB ASN 61 -1.249 8.483 -17.805 426 HD21 ASN 61 1HD2 ASN 61 0.676 9.312 -18.217 427 HD22 ASN 61 2HD2 ASN 61 2.191 8.531 -17.937 428 H CYS 62 H CYS 62 -2.935 4.854 -17.222 429 HA CYS 62 HA CYS 62 -1.409 2.849 -15.823 430 HB2 CYS 62 1HB CYS 62 -3.881 2.709 -16.101 431 HB3 CYS 62 2HB CYS 62 -3.641 2.487 -17.831 432 HA PRO 63 HA PRO 63 1.481 2.143 -19.102 433 HB2 PRO 63 1HB PRO 63 2.545 -0.153 -18.117 434 HB3 PRO 63 2HB PRO 63 2.925 1.443 -17.458 435 HG2 PRO 63 1HG PRO 63 0.993 -0.612 -16.453 436 HG3 PRO 63 2HG PRO 63 2.139 0.388 -15.540 437 HD2 PRO 63 1HD PRO 63 -0.498 0.979 -15.707 438 HD3 PRO 63 2HD PRO 63 0.754 2.230 -15.575 439 H VAL 64 H VAL 64 -1.372 0.643 -18.706 440 HA VAL 64 HA VAL 64 -0.833 -1.304 -20.854 441 HB VAL 64 HB VAL 64 -2.849 -1.543 -18.617 442 HG11 VAL 64 1HG1 VAL 64 -2.293 -3.628 -20.700 443 HG12 VAL 64 2HG1 VAL 64 -3.663 -3.501 -19.595 444 HG13 VAL 64 3HG1 VAL 64 -3.515 -2.381 -20.950 445 HG21 VAL 64 3HG2 VAL 64 -1.492 -3.658 -18.179 446 HG22 VAL 64 1HG2 VAL 64 -0.264 -2.948 -19.226 447 HG23 VAL 64 2HG2 VAL 64 -0.744 -2.121 -17.744 448 H CYS 65 H CYS 65 -3.587 0.385 -19.333 449 HA CYS 65 HA CYS 65 -4.740 0.755 -22.009 450 HB2 CYS 65 1HB CYS 65 -6.864 1.181 -20.833 451 HB3 CYS 65 2HB CYS 65 -6.192 -0.392 -20.418 452 H ARG 66 H ARG 66 -3.046 2.399 -19.630 453 HA ARG 66 HA ARG 66 -2.559 4.587 -19.243 454 HB2 ARG 66 1HB ARG 66 -3.564 4.883 -22.079 455 HB3 ARG 66 2HB ARG 66 -2.652 6.101 -21.198 456 HG2 ARG 66 1HG ARG 66 -1.573 3.342 -21.665 457 HG3 ARG 66 2HG ARG 66 -1.378 4.641 -22.842 458 HD2 ARG 66 1HD ARG 66 -0.613 5.071 -19.983 459 HD3 ARG 66 2HD ARG 66 0.477 4.214 -21.071 460 HE ARG 66 HE ARG 66 0.067 7.003 -20.965 461 HH11 ARG 66 1HH1 ARG 66 0.530 4.406 -23.236 462 HH12 ARG 66 2HH1 ARG 66 1.251 5.416 -24.444 463 HH21 ARG 66 1HH2 ARG 66 1.014 8.345 -22.548 464 HH22 ARG 66 2HH2 ARG 66 1.527 7.657 -24.052 465 H VAL 67 H VAL 67 -4.824 3.952 -18.021 466 HA VAL 67 HA VAL 67 -6.778 6.044 -18.695 467 HB VAL 67 HB VAL 67 -7.582 3.670 -18.507 468 HG11 VAL 67 1HG1 VAL 67 -6.173 2.944 -16.667 469 HG12 VAL 67 2HG1 VAL 67 -6.957 4.096 -15.586 470 HG13 VAL 67 3HG1 VAL 67 -7.874 2.744 -16.251 471 HG21 VAL 67 3HG2 VAL 67 -9.170 5.448 -18.329 472 HG22 VAL 67 1HG2 VAL 67 -9.549 4.262 -17.080 473 HG23 VAL 67 2HG2 VAL 67 -8.718 5.758 -16.653 474 HA PRO 68 HA PRO 68 -5.435 8.390 -15.202 475 HB2 PRO 68 1HB PRO 68 -7.591 10.029 -15.006 476 HB3 PRO 68 2HB PRO 68 -6.364 10.202 -16.267 477 HG2 PRO 68 1HG PRO 68 -9.057 8.903 -16.411 478 HG3 PRO 68 2HG PRO 68 -8.267 9.974 -17.583 479 HD2 PRO 68 1HD PRO 68 -8.333 7.284 -17.882 480 HD3 PRO 68 2HD PRO 68 -6.977 8.276 -18.455 481 H TYR 69 H TYR 69 -5.419 7.156 -13.383 482 HA TYR 69 HA TYR 69 -7.998 6.758 -12.013 483 HB2 TYR 69 1HB TYR 69 -7.085 4.731 -11.012 484 HB3 TYR 69 2HB TYR 69 -7.002 4.630 -12.767 485 HD1 TYR 69 1HD TYR 69 -5.025 5.105 -9.693 486 HD2 TYR 69 2HD TYR 69 -4.901 4.486 -13.900 487 HE1 TYR 69 1HE TYR 69 -2.619 4.613 -9.544 488 HE2 TYR 69 2HE TYR 69 -2.496 3.991 -13.763 489 HH TYR 69 HH TYR 69 -0.664 4.559 -10.898 490 HA PRO 70 HA PRO 70 -6.368 9.230 -8.752 491 HB2 PRO 70 1HB PRO 70 -8.006 8.403 -6.752 492 HB3 PRO 70 2HB PRO 70 -8.544 9.469 -8.055 493 HG2 PRO 70 1HG PRO 70 -8.909 6.513 -7.753 494 HG3 PRO 70 2HG PRO 70 -10.076 7.735 -8.291 495 HD2 PRO 70 1HD PRO 70 -8.738 6.137 -10.020 496 HD3 PRO 70 2HD PRO 70 -9.215 7.798 -10.428 497 H PHE 71 H PHE 71 -4.651 8.999 -7.463 498 HA PHE 71 HA PHE 71 -3.612 6.410 -6.854 499 HB2 PHE 71 1HB PHE 71 -2.265 8.519 -7.332 500 HB3 PHE 71 2HB PHE 71 -2.657 9.025 -5.692 501 HD1 PHE 71 2HD PHE 71 -1.780 7.781 -3.767 502 HD2 PHE 71 1HD PHE 71 -0.653 6.817 -7.756 503 HE1 PHE 71 2HE PHE 71 0.133 6.492 -2.911 504 HE2 PHE 71 1HE PHE 71 1.261 5.526 -6.907 505 HZ PHE 71 HZ PHE 71 1.657 5.363 -4.481 506 H GLY 72 H GLY 72 -3.899 5.198 -5.093 507 HA2 GLY 72 1HA GLY 72 -3.972 5.113 -2.640 508 HA3 GLY 72 2HA GLY 72 -5.064 6.489 -2.704 509 H ASN 73 H ASN 73 -6.600 5.442 -4.946 510 HA ASN 73 HA ASN 73 -8.383 3.761 -3.425 511 HB2 ASN 73 1HB ASN 73 -8.544 4.921 -6.211 512 HB3 ASN 73 2HB ASN 73 -9.805 3.912 -5.507 513 HD21 ASN 73 1HD2 ASN 73 -7.935 6.854 -4.926 514 HD22 ASN 73 2HD2 ASN 73 -9.202 7.710 -4.121 515 H LEU 74 H LEU 74 -5.945 2.484 -3.883 516 HA LEU 74 HA LEU 74 -6.593 0.466 -5.921 517 HB2 LEU 74 1HB LEU 74 -3.955 0.943 -4.547 518 HB3 LEU 74 2HB LEU 74 -4.260 -0.135 -5.907 519 HG LEU 74 HG LEU 74 -4.829 2.765 -6.261 520 HD11 LEU 74 1HD1 LEU 74 -2.338 1.893 -5.304 521 HD12 LEU 74 2HD1 LEU 74 -2.747 3.469 -5.981 522 HD13 LEU 74 3HD1 LEU 74 -2.131 2.192 -7.030 523 HD21 LEU 74 3HD2 LEU 74 -4.405 0.385 -7.881 524 HD22 LEU 74 1HD2 LEU 74 -3.461 1.769 -8.433 525 HD23 LEU 74 2HD2 LEU 74 -5.213 1.901 -8.282 526 H LYS 75 H LYS 75 -7.192 -1.503 -5.304 527 HA LYS 75 HA LYS 75 -7.302 -2.150 -2.492 528 HB2 LYS 75 1HB LYS 75 -8.183 -3.679 -4.946 529 HB3 LYS 75 2HB LYS 75 -8.443 -4.224 -3.294 530 HG2 LYS 75 1HG LYS 75 -9.935 -2.461 -2.837 531 HG3 LYS 75 2HG LYS 75 -9.463 -1.583 -4.294 532 HD2 LYS 75 1HD LYS 75 -11.394 -2.502 -5.065 533 HD3 LYS 75 2HD LYS 75 -10.306 -3.840 -5.436 534 HE2 LYS 75 1HE LYS 75 -11.661 -3.701 -2.774 535 HE3 LYS 75 2HE LYS 75 -12.543 -4.293 -4.181 536 HZ1 LYS 75 3HZ LYS 75 -9.896 -5.422 -3.694 537 HZ2 LYS 75 1HZ LYS 75 -11.294 -6.161 -4.297 538 HZ3 LYS 75 2HZ LYS 75 -11.133 -5.883 -2.636 539 HA PRO 76 HA PRO 76 -3.526 -4.425 -2.338 540 HB2 PRO 76 1HB PRO 76 -4.032 -5.872 -0.097 541 HB3 PRO 76 2HB PRO 76 -3.637 -4.150 -0.059 542 HG2 PRO 76 1HG PRO 76 -6.312 -5.483 0.102 543 HG3 PRO 76 2HG PRO 76 -5.683 -4.121 1.047 544 HD2 PRO 76 1HD PRO 76 -7.364 -3.787 -1.050 545 HD3 PRO 76 2HD PRO 76 -6.115 -2.597 -0.628 546 H ASN 77 H ASN 77 -2.724 -6.412 -2.919 547 HA ASN 77 HA ASN 77 -4.717 -8.393 -3.765 548 HB2 ASN 77 1HB ASN 77 -1.848 -7.956 -4.616 549 HB3 ASN 77 2HB ASN 77 -2.842 -9.303 -5.165 550 HD21 ASN 77 1HD2 ASN 77 -2.952 -8.783 -7.283 551 HD22 ASN 77 2HD2 ASN 77 -3.716 -7.357 -7.891 552 H LEU 78 H LEU 78 -5.016 -9.362 -1.722 553 HA LEU 78 HA LEU 78 -2.720 -10.963 -0.799 554 HB2 LEU 78 1HB LEU 78 -5.026 -9.924 0.840 555 HB3 LEU 78 2HB LEU 78 -3.694 -10.911 1.438 556 HG LEU 78 HG LEU 78 -3.410 -8.118 0.333 557 HD11 LEU 78 1HD1 LEU 78 -2.812 -8.509 3.142 558 HD12 LEU 78 2HD1 LEU 78 -4.498 -8.857 2.763 559 HD13 LEU 78 3HD1 LEU 78 -3.809 -7.285 2.357 560 HD21 LEU 78 3HD2 LEU 78 -1.325 -9.011 0.033 561 HD22 LEU 78 1HD2 LEU 78 -1.509 -10.169 1.350 562 HD23 LEU 78 2HD2 LEU 78 -1.190 -8.471 1.707 563 H HIS 79 H HIS 79 -3.006 -12.966 -1.543 564 HA HIS 79 HA HIS 79 -4.070 -14.872 -2.272 565 HB2 HIS 79 1HB HIS 79 -5.086 -14.428 0.531 566 HB3 HIS 79 2HB HIS 79 -5.462 -15.890 -0.377 567 HD2 HIS 79 2HD HIS 79 -2.124 -14.053 0.726 568 HE1 HIS 79 1HE HIS 79 -1.535 -18.254 0.747 569 HE2 HIS 79 2HE HIS 79 -0.532 -16.010 1.297 570 H VAL 80 H VAL 80 -5.341 -12.637 -3.341 571 HA VAL 80 HA VAL 80 -8.160 -12.702 -2.919 572 HB VAL 80 HB VAL 80 -6.585 -11.584 -5.243 573 HG11 VAL 80 1HG1 VAL 80 -8.490 -10.655 -6.085 574 HG12 VAL 80 2HG1 VAL 80 -9.174 -12.125 -5.388 575 HG13 VAL 80 3HG1 VAL 80 -9.290 -10.597 -4.515 576 HG21 VAL 80 3HG2 VAL 80 -6.057 -9.868 -3.933 577 HG22 VAL 80 1HG2 VAL 80 -7.753 -9.622 -3.517 578 HG23 VAL 80 2HG2 VAL 80 -6.764 -10.730 -2.566 579 H ALA 81 H ALA 81 -9.015 -14.718 -3.222 580 HA ALA 81 HA ALA 81 -9.146 -15.638 -5.992 581 HB1 ALA 81 3HB ALA 81 -7.531 -17.148 -5.454 582 HB2 ALA 81 1HB ALA 81 -7.943 -17.147 -3.739 583 HB3 ALA 81 2HB ALA 81 -8.940 -18.043 -4.886 584 H ASN 82 H ASN 82 -11.268 -15.448 -6.351 585 HA ASN 82 HA ASN 82 -13.094 -17.007 -4.713 586 HB2 ASN 82 1HB ASN 82 -13.736 -14.113 -5.281 587 HB3 ASN 82 2HB ASN 82 -14.607 -15.229 -4.234 588 HD21 ASN 82 1HD2 ASN 82 -11.653 -13.385 -4.611 589 HD22 ASN 82 2HD2 ASN 82 -11.250 -13.330 -2.932 590 H ILE 83 H ILE 83 -15.293 -17.103 -5.711 591 HA ILE 83 HA ILE 83 -15.249 -18.005 -8.291 592 HB ILE 83 HB ILE 83 -17.586 -16.679 -6.911 593 HG12 ILE 83 1HG1 ILE 83 -17.239 -19.635 -7.169 594 HG13 ILE 83 2HG1 ILE 83 -16.309 -18.785 -5.940 595 HG21 ILE 83 1HG2 ILE 83 -17.978 -16.825 -9.292 596 HG22 ILE 83 2HG2 ILE 83 -17.503 -18.523 -9.294 597 HG23 ILE 83 3HG2 ILE 83 -18.969 -18.019 -8.453 598 HD11 ILE 83 3HD1 ILE 83 -19.196 -19.348 -6.087 599 HD12 ILE 83 1HD1 ILE 83 -18.120 -19.260 -4.692 600 HD13 ILE 83 2HD1 ILE 83 -18.731 -17.779 -5.430 601 H VAL 84 H VAL 84 -14.625 -16.994 -10.077 602 HA VAL 84 HA VAL 84 -15.159 -14.128 -10.378 603 HB VAL 84 HB VAL 84 -13.590 -14.259 -12.305 604 HG11 VAL 84 1HG1 VAL 84 -12.519 -15.280 -9.677 605 HG12 VAL 84 2HG1 VAL 84 -11.558 -14.534 -10.955 606 HG13 VAL 84 3HG1 VAL 84 -12.787 -13.592 -10.110 607 HG21 VAL 84 3HG2 VAL 84 -12.222 -16.639 -11.786 608 HG22 VAL 84 1HG2 VAL 84 -13.928 -17.081 -11.842 609 HG23 VAL 84 2HG2 VAL 84 -13.187 -16.251 -13.210 610 H GLU 85 H GLU 85 -17.422 -14.439 -10.825 611 HA GLU 85 HA GLU 85 -18.063 -15.755 -13.357 612 HB2 GLU 85 1HB GLU 85 -19.464 -16.246 -11.384 613 HB3 GLU 85 2HB GLU 85 -19.898 -14.546 -11.281 614 HG2 GLU 85 1HG GLU 85 -21.713 -15.384 -12.379 615 HG3 GLU 85 2HG GLU 85 -20.700 -14.907 -13.741 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -16.009 3.581 -52.159 2 HA2 GLY 1 1HA GLY 1 -16.217 2.091 -49.751 3 HA3 GLY 1 2HA GLY 1 -15.936 1.011 -51.109 4 H SER 2 H SER 2 -14.235 1.667 -48.787 5 HA SER 2 HA SER 2 -11.765 1.926 -50.206 6 HB2 SER 2 1HB SER 2 -12.409 4.308 -50.045 7 HB3 SER 2 2HB SER 2 -12.517 4.150 -48.292 8 HG SER 2 HG SER 2 -10.176 3.256 -48.797 9 H SER 3 H SER 3 -10.046 1.145 -49.043 10 HA SER 3 HA SER 3 -10.261 0.740 -46.184 11 HB2 SER 3 1HB SER 3 -11.440 -1.218 -47.359 12 HB3 SER 3 2HB SER 3 -9.833 -1.702 -47.902 13 HG SER 3 HG SER 3 -10.016 -2.742 -46.024 14 H GLY 4 H GLY 4 -8.249 -0.552 -45.412 15 HA2 GLY 4 1HA GLY 4 -5.927 -1.070 -46.511 16 HA3 GLY 4 2HA GLY 4 -5.946 0.671 -46.751 17 H SER 5 H SER 5 -4.619 -1.571 -44.890 18 HA SER 5 HA SER 5 -3.832 0.223 -42.861 19 HB2 SER 5 1HB SER 5 -4.976 -0.580 -40.945 20 HB3 SER 5 2HB SER 5 -6.228 -0.348 -42.165 21 HG SER 5 HG SER 5 -5.948 -2.474 -40.847 22 H SER 6 H SER 6 -2.145 -0.583 -41.617 23 HA SER 6 HA SER 6 -1.480 -3.357 -41.529 24 HB2 SER 6 1HB SER 6 0.625 -3.203 -42.830 25 HB3 SER 6 2HB SER 6 -0.801 -2.947 -43.835 26 HG SER 6 HG SER 6 0.216 -1.192 -44.397 27 H GLY 7 H GLY 7 0.378 -3.790 -40.225 28 HA2 GLY 7 1HA GLY 7 1.822 -1.582 -39.041 29 HA3 GLY 7 2HA GLY 7 0.688 -2.365 -37.950 30 H MET 8 H MET 8 3.823 -2.366 -39.091 31 HA MET 8 HA MET 8 4.289 -5.020 -37.917 32 HB2 MET 8 1HB MET 8 4.408 -4.950 -40.479 33 HB3 MET 8 2HB MET 8 5.873 -4.000 -40.267 34 HG2 MET 8 1HG MET 8 6.878 -5.832 -39.002 35 HG3 MET 8 2HG MET 8 5.411 -6.783 -39.218 36 HE1 MET 8 3HE MET 8 4.528 -7.664 -41.218 37 HE2 MET 8 1HE MET 8 5.461 -8.124 -42.642 38 HE3 MET 8 2HE MET 8 5.818 -8.859 -41.079 39 H ALA 9 H ALA 9 6.160 -5.246 -36.715 40 HA ALA 9 HA ALA 9 8.235 -3.308 -36.649 41 HB1 ALA 9 3HB ALA 9 7.578 -2.844 -34.086 42 HB2 ALA 9 1HB ALA 9 7.109 -1.788 -35.418 43 HB3 ALA 9 2HB ALA 9 5.968 -2.978 -34.792 44 H SER 10 H SER 10 9.578 -3.652 -34.514 45 HA SER 10 HA SER 10 10.532 -6.254 -34.522 46 HB2 SER 10 1HB SER 10 11.850 -5.647 -32.596 47 HB3 SER 10 2HB SER 10 11.742 -4.236 -33.647 48 HG SER 10 HG SER 10 9.696 -4.288 -31.884 49 H SER 11 H SER 11 10.224 -8.051 -33.259 50 HA SER 11 HA SER 11 8.272 -7.969 -31.099 51 HB2 SER 11 1HB SER 11 6.887 -9.729 -32.021 52 HB3 SER 11 2HB SER 11 6.975 -8.411 -33.189 53 HG SER 11 HG SER 11 8.972 -10.203 -33.562 54 H VAL 12 H VAL 12 9.062 -9.085 -29.452 55 HA VAL 12 HA VAL 12 10.934 -11.293 -30.015 56 HB VAL 12 HB VAL 12 12.022 -9.398 -28.895 57 HG11 VAL 12 1HG1 VAL 12 10.110 -8.472 -27.724 58 HG12 VAL 12 2HG1 VAL 12 10.020 -9.903 -26.695 59 HG13 VAL 12 3HG1 VAL 12 11.409 -8.821 -26.584 60 HG21 VAL 12 3HG2 VAL 12 12.613 -11.828 -28.443 61 HG22 VAL 12 1HG2 VAL 12 13.162 -10.647 -27.254 62 HG23 VAL 12 2HG2 VAL 12 11.749 -11.646 -26.916 63 H LEU 13 H LEU 13 10.558 -13.248 -29.121 64 HA LEU 13 HA LEU 13 7.985 -13.812 -28.062 65 HB2 LEU 13 1HB LEU 13 9.742 -15.294 -29.367 66 HB3 LEU 13 2HB LEU 13 10.238 -15.728 -27.732 67 HG LEU 13 HG LEU 13 7.415 -16.034 -28.738 68 HD11 LEU 13 1HD1 LEU 13 7.920 -18.399 -29.045 69 HD12 LEU 13 2HD1 LEU 13 9.612 -18.097 -28.649 70 HD13 LEU 13 3HD1 LEU 13 8.909 -17.395 -30.106 71 HD21 LEU 13 3HD2 LEU 13 8.894 -17.144 -26.356 72 HD22 LEU 13 1HD2 LEU 13 7.256 -17.594 -26.832 73 HD23 LEU 13 2HD2 LEU 13 7.605 -15.939 -26.332 74 H GLU 14 H GLU 14 7.370 -13.264 -26.080 75 HA GLU 14 HA GLU 14 9.192 -12.775 -23.950 76 HB2 GLU 14 1HB GLU 14 6.193 -13.147 -23.842 77 HB3 GLU 14 2HB GLU 14 7.192 -12.442 -22.579 78 HG2 GLU 14 1HG GLU 14 6.333 -10.577 -23.600 79 HG3 GLU 14 2HG GLU 14 7.883 -10.754 -24.421 80 H MET 15 H MET 15 8.613 -13.835 -21.715 81 HA MET 15 HA MET 15 9.245 -16.628 -21.995 82 HB2 MET 15 1HB MET 15 10.384 -15.442 -20.265 83 HB3 MET 15 2HB MET 15 8.874 -14.830 -19.602 84 HG2 MET 15 1HG MET 15 9.357 -16.493 -18.116 85 HG3 MET 15 2HG MET 15 8.336 -17.359 -19.261 86 HE1 MET 15 3HE MET 15 10.310 -19.394 -17.473 87 HE2 MET 15 1HE MET 15 8.917 -19.479 -18.551 88 HE3 MET 15 2HE MET 15 10.389 -20.368 -18.942 89 H ILE 16 H ILE 16 8.007 -18.381 -21.418 90 HA ILE 16 HA ILE 16 5.386 -18.545 -21.959 91 HB ILE 16 HB ILE 16 6.787 -20.049 -19.747 92 HG12 ILE 16 1HG1 ILE 16 6.619 -21.828 -21.706 93 HG13 ILE 16 2HG1 ILE 16 6.556 -20.381 -22.707 94 HG21 ILE 16 1HG2 ILE 16 4.037 -20.171 -20.772 95 HG22 ILE 16 2HG2 ILE 16 4.859 -21.725 -20.644 96 HG23 ILE 16 3HG2 ILE 16 4.697 -20.693 -19.223 97 HD11 ILE 16 3HD1 ILE 16 8.751 -20.193 -22.590 98 HD12 ILE 16 1HD1 ILE 16 8.672 -20.092 -20.832 99 HD13 ILE 16 2HD1 ILE 16 8.815 -21.664 -21.620 100 H LYS 17 H LYS 17 3.878 -17.120 -21.338 101 HA LYS 17 HA LYS 17 3.117 -17.061 -18.542 102 HB2 LYS 17 1HB LYS 17 3.998 -14.589 -20.031 103 HB3 LYS 17 2HB LYS 17 2.991 -14.524 -18.590 104 HG2 LYS 17 1HG LYS 17 5.762 -15.690 -18.762 105 HG3 LYS 17 2HG LYS 17 5.324 -14.137 -18.046 106 HD2 LYS 17 1HD LYS 17 3.825 -15.409 -16.473 107 HD3 LYS 17 2HD LYS 17 4.557 -16.891 -17.093 108 HE2 LYS 17 1HE LYS 17 6.372 -14.735 -16.161 109 HE3 LYS 17 2HE LYS 17 5.482 -15.640 -14.938 110 HZ1 LYS 17 3HZ LYS 17 6.362 -17.695 -16.036 111 HZ2 LYS 17 1HZ LYS 17 7.525 -16.744 -15.259 112 HZ3 LYS 17 2HZ LYS 17 7.387 -16.702 -16.944 113 H GLU 18 H GLU 18 0.967 -17.086 -18.368 114 HA GLU 18 HA GLU 18 -0.647 -16.905 -20.746 115 HB2 GLU 18 1HB GLU 18 -1.326 -17.454 -17.857 116 HB3 GLU 18 2HB GLU 18 -2.526 -17.416 -19.140 117 HG2 GLU 18 1HG GLU 18 -1.752 -19.354 -20.110 118 HG3 GLU 18 2HG GLU 18 -0.145 -19.191 -19.404 119 H GLU 19 H GLU 19 0.455 -14.477 -20.477 120 HA GLU 19 HA GLU 19 0.072 -12.242 -20.202 121 HB2 GLU 19 1HB GLU 19 -2.525 -13.430 -21.048 122 HB3 GLU 19 2HB GLU 19 -2.520 -11.746 -20.546 123 HG2 GLU 19 1HG GLU 19 -0.534 -11.530 -22.203 124 HG3 GLU 19 2HG GLU 19 -1.174 -13.027 -22.878 125 H VAL 20 H VAL 20 0.409 -13.346 -17.773 126 HA VAL 20 HA VAL 20 -1.522 -11.864 -16.125 127 HB VAL 20 HB VAL 20 -1.251 -13.666 -14.370 128 HG11 VAL 20 1HG1 VAL 20 -2.690 -14.178 -16.959 129 HG12 VAL 20 2HG1 VAL 20 -2.874 -15.225 -15.551 130 HG13 VAL 20 3HG1 VAL 20 -3.336 -13.526 -15.453 131 HG21 VAL 20 3HG2 VAL 20 -0.728 -15.739 -16.342 132 HG22 VAL 20 1HG2 VAL 20 0.643 -14.652 -16.115 133 HG23 VAL 20 2HG2 VAL 20 -0.042 -15.509 -14.734 134 H THR 21 H THR 21 1.246 -11.360 -17.132 135 HA THR 21 HA THR 21 2.633 -11.138 -14.542 136 HB THR 21 HB THR 21 3.929 -10.999 -17.266 137 HG1 THR 21 1HG THR 21 3.784 -13.102 -17.283 138 HG21 THR 21 3HG2 THR 21 5.211 -9.936 -15.502 139 HG22 THR 21 1HG2 THR 21 5.985 -11.450 -15.969 140 HG23 THR 21 2HG2 THR 21 5.041 -11.364 -14.482 141 H CYS 22 H CYS 22 3.943 -9.203 -14.220 142 HA CYS 22 HA CYS 22 2.516 -6.842 -14.617 143 HB2 CYS 22 1HB CYS 22 4.236 -7.204 -12.852 144 HB3 CYS 22 2HB CYS 22 5.484 -7.093 -14.089 145 HA PRO 23 HA PRO 23 3.508 -6.044 -18.883 146 HB2 PRO 23 1HB PRO 23 2.187 -3.677 -19.038 147 HB3 PRO 23 2HB PRO 23 1.363 -5.241 -19.069 148 HG2 PRO 23 1HG PRO 23 1.736 -3.342 -16.785 149 HG3 PRO 23 2HG PRO 23 0.291 -4.254 -17.257 150 HD2 PRO 23 1HD PRO 23 1.918 -5.043 -15.241 151 HD3 PRO 23 2HD PRO 23 1.039 -6.196 -16.266 152 H ILE 24 H ILE 24 4.892 -4.773 -16.239 153 HA ILE 24 HA ILE 24 6.301 -2.657 -17.727 154 HB ILE 24 HB ILE 24 6.126 -2.978 -14.730 155 HG12 ILE 24 1HG1 ILE 24 4.830 -0.733 -16.211 156 HG13 ILE 24 2HG1 ILE 24 4.020 -2.295 -16.189 157 HG21 ILE 24 1HG2 ILE 24 7.824 -1.425 -16.430 158 HG22 ILE 24 2HG2 ILE 24 6.795 -0.353 -15.483 159 HG23 ILE 24 3HG2 ILE 24 7.814 -1.540 -14.670 160 HD11 ILE 24 3HD1 ILE 24 4.339 -2.171 -13.638 161 HD12 ILE 24 1HD1 ILE 24 4.625 -0.454 -13.917 162 HD13 ILE 24 2HD1 ILE 24 3.089 -1.181 -14.392 163 H CYS 25 H CYS 25 7.035 -4.732 -14.921 164 HA CYS 25 HA CYS 25 9.780 -4.994 -15.835 165 HB2 CYS 25 1HB CYS 25 10.115 -6.191 -13.681 166 HB3 CYS 25 2HB CYS 25 9.440 -4.578 -13.475 167 H LEU 26 H LEU 26 6.852 -6.734 -16.016 168 HA LEU 26 HA LEU 26 6.290 -8.771 -16.855 169 HB2 LEU 26 1HB LEU 26 9.083 -8.684 -17.988 170 HB3 LEU 26 2HB LEU 26 7.797 -9.777 -18.497 171 HG LEU 26 HG LEU 26 7.622 -6.781 -18.756 172 HD11 LEU 26 1HD1 LEU 26 8.346 -8.736 -20.926 173 HD12 LEU 26 2HD1 LEU 26 9.531 -7.773 -20.044 174 HD13 LEU 26 3HD1 LEU 26 8.301 -6.975 -21.024 175 HD21 LEU 26 3HD2 LEU 26 5.655 -8.665 -18.867 176 HD22 LEU 26 1HD2 LEU 26 6.134 -8.542 -20.560 177 HD23 LEU 26 2HD2 LEU 26 5.608 -7.103 -19.686 178 H GLU 27 H GLU 27 6.972 -8.880 -14.253 179 HA GLU 27 HA GLU 27 8.179 -11.534 -14.055 180 HB2 GLU 27 1HB GLU 27 9.159 -9.060 -12.681 181 HB3 GLU 27 2HB GLU 27 9.303 -10.615 -11.875 182 HG2 GLU 27 1HG GLU 27 10.525 -11.458 -13.876 183 HG3 GLU 27 2HG GLU 27 10.505 -9.815 -14.512 184 H LEU 28 H LEU 28 7.797 -12.513 -11.877 185 HA LEU 28 HA LEU 28 5.173 -12.726 -11.233 186 HB2 LEU 28 1HB LEU 28 7.679 -13.165 -9.710 187 HB3 LEU 28 2HB LEU 28 6.168 -13.180 -8.804 188 HG LEU 28 HG LEU 28 6.902 -15.434 -9.437 189 HD11 LEU 28 1HD1 LEU 28 4.800 -16.215 -10.246 190 HD12 LEU 28 2HD1 LEU 28 4.423 -14.645 -10.953 191 HD13 LEU 28 3HD1 LEU 28 4.490 -14.829 -9.200 192 HD21 LEU 28 3HD2 LEU 28 8.073 -14.981 -11.483 193 HD22 LEU 28 1HD2 LEU 28 6.598 -14.387 -12.248 194 HD23 LEU 28 2HD2 LEU 28 6.748 -16.094 -11.829 195 H LEU 29 H LEU 29 3.721 -11.260 -10.659 196 HA LEU 29 HA LEU 29 4.318 -8.699 -9.685 197 HB2 LEU 29 1HB LEU 29 1.716 -10.184 -9.377 198 HB3 LEU 29 2HB LEU 29 1.950 -8.438 -9.342 199 HG LEU 29 HG LEU 29 2.727 -9.902 -11.812 200 HD11 LEU 29 1HD1 LEU 29 0.680 -10.528 -12.433 201 HD12 LEU 29 2HD1 LEU 29 -0.052 -9.042 -11.829 202 HD13 LEU 29 3HD1 LEU 29 0.247 -10.388 -10.729 203 HD21 LEU 29 3HD2 LEU 29 1.192 -7.347 -11.629 204 HD22 LEU 29 1HD2 LEU 29 2.354 -7.876 -12.845 205 HD23 LEU 29 2HD2 LEU 29 2.916 -7.364 -11.254 206 H LYS 30 H LYS 30 4.856 -8.008 -7.729 207 HA LYS 30 HA LYS 30 4.482 -9.815 -5.447 208 HB2 LYS 30 1HB LYS 30 6.780 -9.113 -5.850 209 HB3 LYS 30 2HB LYS 30 6.298 -7.423 -5.794 210 HG2 LYS 30 1HG LYS 30 5.958 -7.464 -3.496 211 HG3 LYS 30 2HG LYS 30 5.839 -9.225 -3.450 212 HD2 LYS 30 1HD LYS 30 8.373 -7.827 -4.256 213 HD3 LYS 30 2HD LYS 30 7.990 -8.158 -2.565 214 HE2 LYS 30 1HE LYS 30 7.948 -10.506 -2.954 215 HE3 LYS 30 2HE LYS 30 8.015 -10.280 -4.701 216 HZ1 LYS 30 3HZ LYS 30 10.169 -10.897 -3.977 217 HZ2 LYS 30 1HZ LYS 30 10.169 -9.750 -2.733 218 HZ3 LYS 30 2HZ LYS 30 10.243 -9.248 -4.346 219 H GLU 31 H GLU 31 2.755 -9.433 -4.235 220 HA GLU 31 HA GLU 31 0.941 -8.344 -3.345 221 HB2 GLU 31 1HB GLU 31 3.322 -6.687 -2.551 222 HB3 GLU 31 2HB GLU 31 1.706 -6.284 -1.988 223 HG2 GLU 31 1HG GLU 31 2.587 -7.561 -0.268 224 HG3 GLU 31 2HG GLU 31 1.596 -8.707 -1.168 225 HA PRO 32 HA PRO 32 0.884 -5.143 -6.839 226 HB2 PRO 32 1HB PRO 32 -0.798 -6.481 -8.498 227 HB3 PRO 32 2HB PRO 32 0.960 -6.658 -8.564 228 HG2 PRO 32 1HG PRO 32 -1.075 -8.432 -7.270 229 HG3 PRO 32 2HG PRO 32 0.341 -8.876 -8.241 230 HD2 PRO 32 1HD PRO 32 0.336 -8.990 -5.535 231 HD3 PRO 32 2HD PRO 32 1.794 -8.608 -6.472 232 H VAL 33 H VAL 33 -0.837 -3.737 -7.240 233 HA VAL 33 HA VAL 33 -3.233 -4.222 -5.596 234 HB VAL 33 HB VAL 33 -3.510 -1.788 -5.491 235 HG11 VAL 33 1HG1 VAL 33 -2.280 -2.861 -3.712 236 HG12 VAL 33 2HG1 VAL 33 -0.785 -2.766 -4.645 237 HG13 VAL 33 3HG1 VAL 33 -1.557 -1.291 -4.062 238 HG21 VAL 33 3HG2 VAL 33 -0.861 -1.631 -6.926 239 HG22 VAL 33 1HG2 VAL 33 -2.428 -1.277 -7.655 240 HG23 VAL 33 2HG2 VAL 33 -1.823 -0.277 -6.334 241 H SER 34 H SER 34 -5.227 -4.077 -6.486 242 HA SER 34 HA SER 34 -5.429 -4.162 -9.344 243 HB2 SER 34 1HB SER 34 -7.895 -4.377 -8.873 244 HB3 SER 34 2HB SER 34 -6.891 -5.590 -8.080 245 HG SER 34 HG SER 34 -7.101 -4.485 -6.160 246 H ALA 35 H ALA 35 -6.888 -2.804 -10.601 247 HA ALA 35 HA ALA 35 -7.188 -0.084 -9.517 248 HB1 ALA 35 3HB ALA 35 -6.579 0.772 -11.797 249 HB2 ALA 35 1HB ALA 35 -5.254 0.039 -10.892 250 HB3 ALA 35 2HB ALA 35 -6.040 -0.861 -12.190 251 H ASP 36 H ASP 36 -8.523 1.243 -11.275 252 HA ASP 36 HA ASP 36 -11.117 0.169 -11.262 253 HB2 ASP 36 1HB ASP 36 -10.326 2.637 -11.446 254 HB3 ASP 36 2HB ASP 36 -10.278 2.325 -13.179 255 H CYS 37 H CYS 37 -8.608 0.208 -13.723 256 HA CYS 37 HA CYS 37 -10.359 -0.972 -15.713 257 HB2 CYS 37 1HB CYS 37 -8.181 -1.030 -17.060 258 HB3 CYS 37 2HB CYS 37 -8.820 0.556 -16.638 259 H ASN 38 H ASN 38 -9.933 -2.470 -13.290 260 HA ASN 38 HA ASN 38 -9.262 -4.520 -12.515 261 HB2 ASN 38 1HB ASN 38 -10.318 -4.891 -15.271 262 HB3 ASN 38 2HB ASN 38 -9.523 -6.273 -14.523 263 HD21 ASN 38 1HD2 ASN 38 -10.765 -7.555 -13.376 264 HD22 ASN 38 2HD2 ASN 38 -12.273 -7.130 -12.647 265 H HIS 39 H HIS 39 -7.075 -2.898 -13.352 266 HA HIS 39 HA HIS 39 -5.219 -4.938 -14.391 267 HB2 HIS 39 1HB HIS 39 -5.119 -1.926 -14.608 268 HB3 HIS 39 2HB HIS 39 -3.772 -2.976 -15.037 269 HD2 HIS 39 2HD HIS 39 -6.535 -4.945 -16.352 270 HE1 HIS 39 1HE HIS 39 -5.855 -2.064 -19.391 271 HE2 HIS 39 2HE HIS 39 -7.029 -4.207 -18.781 272 H SER 40 H SER 40 -3.606 -5.589 -13.113 273 HA SER 40 HA SER 40 -3.103 -4.057 -10.645 274 HB2 SER 40 1HB SER 40 -3.329 -6.993 -11.159 275 HB3 SER 40 2HB SER 40 -2.233 -6.442 -9.892 276 HG SER 40 HG SER 40 -4.800 -6.783 -9.677 277 H PHE 41 H PHE 41 -0.975 -3.849 -9.918 278 HA PHE 41 HA PHE 41 1.175 -4.868 -11.597 279 HB2 PHE 41 1HB PHE 41 1.201 -1.939 -10.950 280 HB3 PHE 41 2HB PHE 41 2.078 -2.807 -12.206 281 HD1 PHE 41 1HD PHE 41 -1.244 -1.534 -11.218 282 HD2 PHE 41 2HD PHE 41 1.173 -3.077 -14.365 283 HE1 PHE 41 1HE PHE 41 -2.975 -0.908 -12.851 284 HE2 PHE 41 2HE PHE 41 -0.554 -2.452 -16.002 285 HZ PHE 41 HZ PHE 41 -2.631 -1.365 -15.246 286 H CYS 42 H CYS 42 3.275 -4.692 -10.612 287 HA CYS 42 HA CYS 42 3.434 -5.445 -7.992 288 HB2 CYS 42 1HB CYS 42 5.572 -3.789 -9.335 289 HB3 CYS 42 2HB CYS 42 5.784 -5.016 -8.090 290 H ARG 43 H ARG 43 3.158 -4.494 -6.086 291 HA ARG 43 HA ARG 43 2.068 -2.124 -5.538 292 HB2 ARG 43 1HB ARG 43 2.765 -3.900 -3.878 293 HB3 ARG 43 2HB ARG 43 4.361 -3.160 -3.871 294 HG2 ARG 43 1HG ARG 43 3.663 -1.329 -2.708 295 HG3 ARG 43 2HG ARG 43 2.016 -1.421 -3.336 296 HD2 ARG 43 1HD ARG 43 1.350 -2.925 -1.755 297 HD3 ARG 43 2HD ARG 43 2.956 -3.636 -1.600 298 HE ARG 43 HE ARG 43 3.228 -1.126 -0.575 299 HH11 ARG 43 1HH1 ARG 43 1.124 -3.823 0.068 300 HH12 ARG 43 2HH1 ARG 43 0.929 -3.439 1.746 301 HH21 ARG 43 1HH2 ARG 43 2.980 -0.610 1.633 302 HH22 ARG 43 2HH2 ARG 43 1.985 -1.611 2.635 303 H ALA 44 H ALA 44 5.527 -2.612 -6.099 304 HA ALA 44 HA ALA 44 6.219 0.126 -5.646 305 HB1 ALA 44 3HB ALA 44 7.776 -2.054 -7.031 306 HB2 ALA 44 1HB ALA 44 8.418 -0.499 -6.502 307 HB3 ALA 44 2HB ALA 44 7.841 -1.667 -5.312 308 H CYS 45 H CYS 45 6.427 -1.823 -8.631 309 HA CYS 45 HA CYS 45 6.919 -0.008 -10.516 310 HB2 CYS 45 1HB CYS 45 4.813 -2.170 -10.616 311 HB3 CYS 45 2HB CYS 45 5.310 -1.249 -12.032 312 H ILE 46 H ILE 46 3.503 -0.735 -9.801 313 HA ILE 46 HA ILE 46 2.238 1.257 -11.078 314 HB ILE 46 HB ILE 46 1.119 -0.432 -9.638 315 HG12 ILE 46 1HG1 ILE 46 0.154 2.314 -8.872 316 HG13 ILE 46 2HG1 ILE 46 0.056 1.743 -10.534 317 HG21 ILE 46 1HG2 ILE 46 1.809 1.453 -7.389 318 HG22 ILE 46 2HG2 ILE 46 0.812 0.005 -7.270 319 HG23 ILE 46 3HG2 ILE 46 2.528 -0.136 -7.650 320 HD11 ILE 46 3HD1 ILE 46 -1.317 0.635 -8.109 321 HD12 ILE 46 1HD1 ILE 46 -2.042 1.325 -9.561 322 HD13 ILE 46 2HD1 ILE 46 -1.225 -0.236 -9.639 323 H THR 47 H THR 47 3.968 1.606 -8.020 324 HA THR 47 HA THR 47 3.243 4.340 -7.628 325 HB THR 47 HB THR 47 5.500 2.732 -6.416 326 HG1 THR 47 1HG THR 47 3.324 2.036 -5.925 327 HG21 THR 47 3HG2 THR 47 5.320 4.540 -4.623 328 HG22 THR 47 1HG2 THR 47 4.443 5.487 -5.824 329 HG23 THR 47 2HG2 THR 47 6.108 4.993 -6.134 330 H LEU 48 H LEU 48 6.393 2.849 -8.413 331 HA LEU 48 HA LEU 48 7.789 5.155 -8.993 332 HB2 LEU 48 1HB LEU 48 8.002 2.343 -9.985 333 HB3 LEU 48 2HB LEU 48 9.050 3.595 -10.650 334 HG LEU 48 HG LEU 48 10.124 2.267 -8.868 335 HD11 LEU 48 1HD1 LEU 48 9.667 5.144 -8.096 336 HD12 LEU 48 2HD1 LEU 48 10.794 4.595 -9.336 337 HD13 LEU 48 3HD1 LEU 48 11.044 4.135 -7.652 338 HD21 LEU 48 3HD2 LEU 48 9.408 2.635 -6.535 339 HD22 LEU 48 1HD2 LEU 48 8.201 1.775 -7.492 340 HD23 LEU 48 2HD2 LEU 48 7.982 3.488 -7.130 341 H ASN 49 H ASN 49 6.142 3.052 -11.360 342 HA ASN 49 HA ASN 49 6.553 4.572 -13.624 343 HB2 ASN 49 1HB ASN 49 5.321 2.255 -13.209 344 HB3 ASN 49 2HB ASN 49 3.887 3.276 -13.280 345 HD21 ASN 49 1HD2 ASN 49 3.086 3.752 -15.205 346 HD22 ASN 49 2HD2 ASN 49 3.885 3.504 -16.716 347 H TYR 50 H TYR 50 4.133 4.969 -11.103 348 HA TYR 50 HA TYR 50 2.597 6.944 -12.442 349 HB2 TYR 50 1HB TYR 50 1.397 5.999 -10.720 350 HB3 TYR 50 2HB TYR 50 2.790 5.921 -9.647 351 HD1 TYR 50 2HD TYR 50 0.151 8.116 -10.985 352 HD2 TYR 50 1HD TYR 50 3.325 7.734 -8.176 353 HE1 TYR 50 2HE TYR 50 -0.624 10.150 -9.841 354 HE2 TYR 50 1HE TYR 50 2.557 9.766 -7.024 355 HH TYR 50 HH TYR 50 0.692 11.987 -8.258 356 H GLU 51 H GLU 51 5.128 7.146 -9.951 357 HA GLU 51 HA GLU 51 5.164 9.908 -9.635 358 HB2 GLU 51 1HB GLU 51 7.438 7.927 -9.435 359 HB3 GLU 51 2HB GLU 51 7.525 9.594 -8.883 360 HG2 GLU 51 1HG GLU 51 5.326 7.882 -7.856 361 HG3 GLU 51 2HG GLU 51 6.957 7.621 -7.241 362 H SER 52 H SER 52 7.204 7.918 -11.777 363 HA SER 52 HA SER 52 8.445 10.139 -13.032 364 HB2 SER 52 1HB SER 52 9.172 8.433 -14.731 365 HB3 SER 52 2HB SER 52 9.565 8.009 -13.065 366 HG SER 52 HG SER 52 8.176 6.400 -13.131 367 H ASN 53 H ASN 53 5.729 8.050 -13.933 368 HA ASN 53 HA ASN 53 5.112 9.906 -16.134 369 HB2 ASN 53 1HB ASN 53 4.196 7.042 -15.785 370 HB3 ASN 53 2HB ASN 53 3.875 8.076 -17.174 371 HD21 ASN 53 1HD2 ASN 53 5.707 5.611 -16.150 372 HD22 ASN 53 2HD2 ASN 53 7.100 5.822 -17.151 373 H ARG 54 H ARG 54 3.547 11.294 -15.677 374 HA ARG 54 HA ARG 54 0.985 10.505 -14.807 375 HB2 ARG 54 1HB ARG 54 0.953 11.678 -12.616 376 HB3 ARG 54 2HB ARG 54 1.982 10.252 -12.627 377 HG2 ARG 54 1HG ARG 54 3.953 11.562 -12.695 378 HG3 ARG 54 2HG ARG 54 3.041 13.034 -13.034 379 HD2 ARG 54 1HD ARG 54 2.189 13.141 -10.855 380 HD3 ARG 54 2HD ARG 54 2.595 11.459 -10.520 381 HE ARG 54 HE ARG 54 4.670 12.146 -9.868 382 HH11 ARG 54 1HH1 ARG 54 3.235 14.639 -11.829 383 HH12 ARG 54 2HH1 ARG 54 4.518 15.771 -11.560 384 HH21 ARG 54 1HH2 ARG 54 6.366 13.627 -9.507 385 HH22 ARG 54 2HH2 ARG 54 6.299 15.194 -10.240 386 H ASN 55 H ASN 55 -0.408 12.469 -14.297 387 HA ASN 55 HA ASN 55 0.454 14.674 -16.039 388 HB2 ASN 55 1HB ASN 55 -1.952 15.187 -16.271 389 HB3 ASN 55 2HB ASN 55 -1.578 13.542 -16.779 390 HD21 ASN 55 1HD2 ASN 55 -3.231 12.301 -16.287 391 HD22 ASN 55 2HD2 ASN 55 -4.081 12.287 -14.783 392 H THR 56 H THR 56 0.366 16.785 -15.367 393 HA THR 56 HA THR 56 0.975 17.509 -12.835 394 HB THR 56 HB THR 56 1.053 19.082 -14.713 395 HG1 THR 56 1HG THR 56 1.010 19.909 -12.555 396 HG21 THR 56 3HG2 THR 56 -1.930 19.375 -14.377 397 HG22 THR 56 1HG2 THR 56 -1.177 18.430 -15.660 398 HG23 THR 56 2HG2 THR 56 -0.901 20.170 -15.568 399 H ASP 57 H ASP 57 -2.326 17.462 -14.168 400 HA ASP 57 HA ASP 57 -3.873 18.404 -12.212 401 HB2 ASP 57 1HB ASP 57 -4.187 16.014 -13.968 402 HB3 ASP 57 2HB ASP 57 -5.364 16.253 -12.679 403 H GLY 58 H GLY 58 -2.654 15.048 -12.169 404 HA2 GLY 58 1HA GLY 58 -1.689 14.731 -9.724 405 HA3 GLY 58 2HA GLY 58 -3.405 14.824 -9.356 406 H LYS 59 H LYS 59 -4.323 13.455 -11.692 407 HA LYS 59 HA LYS 59 -4.062 10.771 -10.771 408 HB2 LYS 59 1HB LYS 59 -5.392 11.994 -13.185 409 HB3 LYS 59 2HB LYS 59 -5.407 10.263 -12.874 410 HG2 LYS 59 1HG LYS 59 -6.434 10.805 -10.630 411 HG3 LYS 59 2HG LYS 59 -6.646 12.451 -11.232 412 HD2 LYS 59 1HD LYS 59 -8.130 11.756 -12.919 413 HD3 LYS 59 2HD LYS 59 -7.664 10.062 -12.745 414 HE2 LYS 59 1HE LYS 59 -9.767 10.225 -11.713 415 HE3 LYS 59 2HE LYS 59 -8.607 10.211 -10.386 416 HZ1 LYS 59 3HZ LYS 59 -10.011 11.930 -9.822 417 HZ2 LYS 59 1HZ LYS 59 -10.211 12.454 -11.418 418 HZ3 LYS 59 2HZ LYS 59 -8.761 12.760 -10.603 419 H GLY 60 H GLY 60 -3.260 8.956 -11.960 420 HA2 GLY 60 1HA GLY 60 -0.998 9.687 -13.706 421 HA3 GLY 60 2HA GLY 60 -1.061 8.251 -12.694 422 H ASN 61 H ASN 61 -0.393 8.082 -15.365 423 HA ASN 61 HA ASN 61 -2.799 7.145 -16.740 424 HB2 ASN 61 1HB ASN 61 -1.129 6.847 -18.671 425 HB3 ASN 61 2HB ASN 61 -1.505 8.494 -18.172 426 HD21 ASN 61 1HD2 ASN 61 0.926 6.353 -18.877 427 HD22 ASN 61 2HD2 ASN 61 2.252 7.200 -18.163 428 H CYS 62 H CYS 62 -3.063 5.042 -17.452 429 HA CYS 62 HA CYS 62 -1.665 3.038 -15.912 430 HB2 CYS 62 1HB CYS 62 -4.180 3.082 -16.466 431 HB3 CYS 62 2HB CYS 62 -3.707 2.490 -18.056 432 HA PRO 63 HA PRO 63 1.351 2.159 -19.028 433 HB2 PRO 63 1HB PRO 63 2.275 -0.160 -17.962 434 HB3 PRO 63 2HB PRO 63 2.681 1.429 -17.303 435 HG2 PRO 63 1HG PRO 63 0.623 -0.536 -16.374 436 HG3 PRO 63 2HG PRO 63 1.758 0.432 -15.416 437 HD2 PRO 63 1HD PRO 63 -0.843 1.119 -15.727 438 HD3 PRO 63 2HD PRO 63 0.448 2.324 -15.546 439 H VAL 64 H VAL 64 -1.574 0.778 -18.767 440 HA VAL 64 HA VAL 64 -1.002 -1.208 -20.869 441 HB VAL 64 HB VAL 64 -3.210 -1.390 -18.815 442 HG11 VAL 64 1HG1 VAL 64 -4.127 -2.817 -20.252 443 HG12 VAL 64 2HG1 VAL 64 -2.734 -2.714 -21.330 444 HG13 VAL 64 3HG1 VAL 64 -2.738 -3.873 -20.000 445 HG21 VAL 64 3HG2 VAL 64 -1.889 -2.610 -17.475 446 HG22 VAL 64 1HG2 VAL 64 -1.137 -3.454 -18.829 447 HG23 VAL 64 2HG2 VAL 64 -0.557 -1.858 -18.353 448 H CYS 65 H CYS 65 -3.744 0.604 -19.472 449 HA CYS 65 HA CYS 65 -4.694 1.088 -22.219 450 HB2 CYS 65 1HB CYS 65 -6.945 1.367 -21.211 451 HB3 CYS 65 2HB CYS 65 -6.277 -0.240 -20.948 452 H ARG 66 H ARG 66 -2.839 2.603 -20.242 453 HA ARG 66 HA ARG 66 -2.558 4.747 -19.437 454 HB2 ARG 66 1HB ARG 66 -3.313 4.910 -22.324 455 HB3 ARG 66 2HB ARG 66 -3.084 6.402 -21.422 456 HG2 ARG 66 1HG ARG 66 -0.999 6.046 -22.331 457 HG3 ARG 66 2HG ARG 66 -0.828 5.344 -20.721 458 HD2 ARG 66 1HD ARG 66 -1.399 3.122 -21.735 459 HD3 ARG 66 2HD ARG 66 -1.303 3.893 -23.318 460 HE ARG 66 HE ARG 66 0.899 3.191 -21.581 461 HH11 ARG 66 1HH1 ARG 66 -0.171 5.078 -24.304 462 HH12 ARG 66 2HH1 ARG 66 1.420 5.267 -24.965 463 HH21 ARG 66 1HH2 ARG 66 2.998 3.432 -22.441 464 HH22 ARG 66 2HH2 ARG 66 3.221 4.329 -23.904 465 H VAL 67 H VAL 67 -5.004 3.775 -18.531 466 HA VAL 67 HA VAL 67 -6.984 5.860 -18.997 467 HB VAL 67 HB VAL 67 -7.611 3.424 -18.823 468 HG11 VAL 67 1HG1 VAL 67 -6.184 2.748 -17.008 469 HG12 VAL 67 2HG1 VAL 67 -6.956 3.903 -15.919 470 HG13 VAL 67 3HG1 VAL 67 -7.866 2.519 -16.528 471 HG21 VAL 67 3HG2 VAL 67 -8.937 5.255 -16.825 472 HG22 VAL 67 1HG2 VAL 67 -9.224 5.279 -18.565 473 HG23 VAL 67 2HG2 VAL 67 -9.662 3.857 -17.619 474 HA PRO 68 HA PRO 68 -5.677 8.228 -15.496 475 HB2 PRO 68 1HB PRO 68 -7.862 9.830 -15.327 476 HB3 PRO 68 2HB PRO 68 -6.620 10.028 -16.569 477 HG2 PRO 68 1HG PRO 68 -9.289 8.685 -16.757 478 HG3 PRO 68 2HG PRO 68 -8.500 9.773 -17.914 479 HD2 PRO 68 1HD PRO 68 -8.516 7.083 -18.222 480 HD3 PRO 68 2HD PRO 68 -7.168 8.100 -18.772 481 H TYR 69 H TYR 69 -5.667 6.982 -13.684 482 HA TYR 69 HA TYR 69 -8.261 6.404 -12.415 483 HB2 TYR 69 1HB TYR 69 -7.086 4.604 -11.198 484 HB3 TYR 69 2HB TYR 69 -7.009 4.383 -12.942 485 HD1 TYR 69 2HD TYR 69 -4.897 4.719 -14.146 486 HD2 TYR 69 1HD TYR 69 -5.100 5.048 -9.908 487 HE1 TYR 69 2HE TYR 69 -2.446 4.551 -14.021 488 HE2 TYR 69 1HE TYR 69 -2.650 4.883 -9.772 489 HH TYR 69 HH TYR 69 -0.689 5.333 -11.277 490 HA PRO 70 HA PRO 70 -7.224 9.230 -9.198 491 HB2 PRO 70 1HB PRO 70 -8.888 8.284 -7.273 492 HB3 PRO 70 2HB PRO 70 -9.460 9.204 -8.669 493 HG2 PRO 70 1HG PRO 70 -9.455 6.244 -8.226 494 HG3 PRO 70 2HG PRO 70 -10.727 7.270 -8.912 495 HD2 PRO 70 1HD PRO 70 -9.063 5.788 -10.450 496 HD3 PRO 70 2HD PRO 70 -9.722 7.348 -10.984 497 H PHE 71 H PHE 71 -5.227 8.992 -8.360 498 HA PHE 71 HA PHE 71 -4.098 6.673 -7.328 499 HB2 PHE 71 1HB PHE 71 -3.038 8.991 -7.932 500 HB3 PHE 71 2HB PHE 71 -3.324 9.354 -6.233 501 HD1 PHE 71 1HD PHE 71 -2.062 6.396 -8.133 502 HD2 PHE 71 2HD PHE 71 -1.438 9.161 -4.957 503 HE1 PHE 71 1HE PHE 71 0.027 5.238 -7.539 504 HE2 PHE 71 2HE PHE 71 0.652 8.008 -4.359 505 HZ PHE 71 HZ PHE 71 1.387 6.044 -5.651 506 H GLY 72 H GLY 72 -3.928 5.774 -5.309 507 HA2 GLY 72 1HA GLY 72 -4.158 5.830 -2.925 508 HA3 GLY 72 2HA GLY 72 -5.375 7.084 -3.109 509 H ASN 73 H ASN 73 -6.844 5.747 -5.200 510 HA ASN 73 HA ASN 73 -8.421 4.005 -3.527 511 HB2 ASN 73 1HB ASN 73 -8.759 4.967 -6.372 512 HB3 ASN 73 2HB ASN 73 -9.900 3.889 -5.573 513 HD21 ASN 73 1HD2 ASN 73 -10.601 6.380 -6.584 514 HD22 ASN 73 2HD2 ASN 73 -11.037 7.411 -5.268 515 H LEU 74 H LEU 74 -5.994 2.833 -3.816 516 HA LEU 74 HA LEU 74 -6.484 0.649 -5.733 517 HB2 LEU 74 1HB LEU 74 -3.854 1.594 -4.602 518 HB3 LEU 74 2HB LEU 74 -4.071 0.264 -5.737 519 HG LEU 74 HG LEU 74 -4.940 3.037 -6.464 520 HD11 LEU 74 1HD1 LEU 74 -2.313 2.403 -5.755 521 HD12 LEU 74 2HD1 LEU 74 -2.872 3.817 -6.647 522 HD13 LEU 74 3HD1 LEU 74 -2.348 2.377 -7.518 523 HD21 LEU 74 3HD2 LEU 74 -4.681 0.451 -7.758 524 HD22 LEU 74 1HD2 LEU 74 -3.849 1.732 -8.640 525 HD23 LEU 74 2HD2 LEU 74 -5.566 1.889 -8.269 526 H LYS 75 H LYS 75 -6.790 -1.327 -4.936 527 HA LYS 75 HA LYS 75 -6.256 -1.760 -2.075 528 HB2 LYS 75 1HB LYS 75 -8.202 -3.154 -3.923 529 HB3 LYS 75 2HB LYS 75 -7.948 -3.569 -2.233 530 HG2 LYS 75 1HG LYS 75 -8.754 -1.393 -1.544 531 HG3 LYS 75 2HG LYS 75 -8.931 -0.902 -3.230 532 HD2 LYS 75 1HD LYS 75 -10.786 -2.212 -3.558 533 HD3 LYS 75 2HD LYS 75 -10.319 -3.374 -2.314 534 HE2 LYS 75 1HE LYS 75 -11.008 -0.583 -1.518 535 HE3 LYS 75 2HE LYS 75 -12.306 -1.704 -1.922 536 HZ1 LYS 75 3HZ LYS 75 -11.628 -1.592 0.488 537 HZ2 LYS 75 1HZ LYS 75 -10.195 -2.372 0.042 538 HZ3 LYS 75 2HZ LYS 75 -11.684 -3.140 -0.192 539 HA PRO 76 HA PRO 76 -3.250 -4.842 -2.939 540 HB2 PRO 76 1HB PRO 76 -3.635 -6.542 -0.857 541 HB3 PRO 76 2HB PRO 76 -2.887 -4.951 -0.673 542 HG2 PRO 76 1HG PRO 76 -5.708 -5.793 -0.129 543 HG3 PRO 76 2HG PRO 76 -4.647 -4.750 0.835 544 HD2 PRO 76 1HD PRO 76 -6.572 -3.763 -0.794 545 HD3 PRO 76 2HD PRO 76 -5.047 -2.906 -0.490 546 H ASN 77 H ASN 77 -3.190 -6.489 -4.331 547 HA ASN 77 HA ASN 77 -5.575 -8.188 -4.590 548 HB2 ASN 77 1HB ASN 77 -4.506 -6.756 -6.540 549 HB3 ASN 77 2HB ASN 77 -3.418 -8.135 -6.659 550 HD21 ASN 77 1HD2 ASN 77 -4.178 -10.075 -7.411 551 HD22 ASN 77 2HD2 ASN 77 -5.739 -10.262 -8.127 552 H LEU 78 H LEU 78 -3.765 -8.731 -2.516 553 HA LEU 78 HA LEU 78 -2.009 -10.863 -3.364 554 HB2 LEU 78 1HB LEU 78 -1.551 -11.113 -0.952 555 HB3 LEU 78 2HB LEU 78 -1.288 -9.475 -1.549 556 HG LEU 78 HG LEU 78 -3.714 -9.079 -0.639 557 HD11 LEU 78 1HD1 LEU 78 -3.083 -11.741 0.317 558 HD12 LEU 78 2HD1 LEU 78 -4.614 -10.868 0.329 559 HD13 LEU 78 3HD1 LEU 78 -3.454 -10.629 1.635 560 HD21 LEU 78 3HD2 LEU 78 -2.787 -8.147 1.290 561 HD22 LEU 78 1HD2 LEU 78 -1.450 -8.159 0.140 562 HD23 LEU 78 2HD2 LEU 78 -1.538 -9.388 1.403 563 H HIS 79 H HIS 79 -2.210 -13.053 -2.800 564 HA HIS 79 HA HIS 79 -3.295 -15.032 -2.517 565 HB2 HIS 79 1HB HIS 79 -4.687 -13.233 -0.590 566 HB3 HIS 79 2HB HIS 79 -5.418 -14.798 -0.931 567 HD2 HIS 79 2HD HIS 79 -1.966 -13.463 0.455 568 HE1 HIS 79 1HE HIS 79 -2.668 -17.383 1.918 569 HE2 HIS 79 2HE HIS 79 -1.192 -15.346 2.051 570 H VAL 80 H VAL 80 -3.893 -13.594 -4.822 571 HA VAL 80 HA VAL 80 -6.655 -14.477 -5.307 572 HB VAL 80 HB VAL 80 -5.456 -11.895 -6.320 573 HG11 VAL 80 1HG1 VAL 80 -6.808 -12.464 -8.070 574 HG12 VAL 80 2HG1 VAL 80 -7.888 -13.433 -7.067 575 HG13 VAL 80 3HG1 VAL 80 -7.991 -11.673 -7.029 576 HG21 VAL 80 3HG2 VAL 80 -6.646 -12.404 -3.882 577 HG22 VAL 80 1HG2 VAL 80 -6.478 -10.824 -4.649 578 HG23 VAL 80 2HG2 VAL 80 -7.964 -11.752 -4.856 579 H ALA 81 H ALA 81 -6.874 -15.733 -7.048 580 HA ALA 81 HA ALA 81 -4.682 -15.767 -9.020 581 HB1 ALA 81 3HB ALA 81 -4.727 -17.775 -7.562 582 HB2 ALA 81 1HB ALA 81 -6.341 -18.137 -8.173 583 HB3 ALA 81 2HB ALA 81 -4.960 -18.141 -9.271 584 H ASN 82 H ASN 82 -5.505 -17.024 -11.080 585 HA ASN 82 HA ASN 82 -7.081 -15.507 -12.598 586 HB2 ASN 82 1HB ASN 82 -6.994 -18.527 -12.574 587 HB3 ASN 82 2HB ASN 82 -7.776 -17.596 -13.848 588 HD21 ASN 82 1HD2 ASN 82 -4.751 -18.448 -12.360 589 HD22 ASN 82 2HD2 ASN 82 -3.735 -17.896 -13.643 590 H ILE 83 H ILE 83 -8.372 -18.173 -10.619 591 HA ILE 83 HA ILE 83 -10.995 -16.831 -10.704 592 HB ILE 83 HB ILE 83 -10.468 -19.801 -10.546 593 HG12 ILE 83 1HG1 ILE 83 -10.095 -18.865 -12.790 594 HG13 ILE 83 2HG1 ILE 83 -11.526 -19.888 -12.756 595 HG21 ILE 83 1HG2 ILE 83 -12.843 -18.152 -10.018 596 HG22 ILE 83 2HG2 ILE 83 -13.112 -19.546 -11.062 597 HG23 ILE 83 3HG2 ILE 83 -12.433 -19.770 -9.450 598 HD11 ILE 83 3HD1 ILE 83 -11.504 -16.881 -12.673 599 HD12 ILE 83 1HD1 ILE 83 -11.902 -17.883 -14.068 600 HD13 ILE 83 2HD1 ILE 83 -12.939 -17.905 -12.642 601 H VAL 84 H VAL 84 -12.178 -16.719 -8.812 602 HA VAL 84 HA VAL 84 -10.916 -17.769 -6.374 603 HB VAL 84 HB VAL 84 -11.442 -15.678 -5.182 604 HG11 VAL 84 1HG1 VAL 84 -9.771 -14.863 -7.517 605 HG12 VAL 84 2HG1 VAL 84 -9.504 -14.594 -5.793 606 HG13 VAL 84 3HG1 VAL 84 -9.238 -16.193 -6.489 607 HG21 VAL 84 3HG2 VAL 84 -12.661 -14.029 -6.058 608 HG22 VAL 84 1HG2 VAL 84 -11.693 -14.000 -7.533 609 HG23 VAL 84 2HG2 VAL 84 -13.036 -15.133 -7.381 610 H GLU 85 H GLU 85 -12.306 -18.435 -4.782 611 HA GLU 85 HA GLU 85 -14.992 -19.005 -5.575 612 HB2 GLU 85 1HB GLU 85 -15.192 -20.149 -3.462 613 HB3 GLU 85 2HB GLU 85 -13.623 -20.524 -4.162 614 HG2 GLU 85 1HG GLU 85 -12.804 -18.539 -2.688 615 HG3 GLU 85 2HG GLU 85 -14.287 -18.851 -1.787 Start of MODEL 10 1 H1 GLY 1 H GLY 1 13.687 24.007 -21.374 2 HA2 GLY 1 1HA GLY 1 14.085 22.660 -23.776 3 HA3 GLY 1 2HA GLY 1 15.663 23.228 -23.250 4 H SER 2 H SER 2 15.022 20.517 -23.538 5 HA SER 2 HA SER 2 15.901 19.491 -21.067 6 HB2 SER 2 1HB SER 2 13.958 18.270 -20.311 7 HB3 SER 2 2HB SER 2 13.517 19.971 -20.460 8 HG SER 2 HG SER 2 13.109 18.532 -22.753 9 H SER 3 H SER 3 15.655 16.986 -21.063 10 HA SER 3 HA SER 3 15.248 15.636 -23.515 11 HB2 SER 3 1HB SER 3 17.994 16.630 -22.923 12 HB3 SER 3 2HB SER 3 17.841 15.003 -23.587 13 HG SER 3 HG SER 3 16.933 17.437 -24.718 14 H GLY 4 H GLY 4 16.208 13.352 -23.408 15 HA2 GLY 4 1HA GLY 4 17.101 12.239 -20.992 16 HA3 GLY 4 2HA GLY 4 15.347 12.130 -21.026 17 H SER 5 H SER 5 16.423 9.791 -20.862 18 HA SER 5 HA SER 5 15.800 8.529 -23.354 19 HB2 SER 5 1HB SER 5 17.956 7.447 -23.732 20 HB3 SER 5 2HB SER 5 18.148 9.199 -23.773 21 HG SER 5 HG SER 5 19.139 9.151 -21.833 22 H SER 6 H SER 6 16.191 6.086 -23.170 23 HA SER 6 HA SER 6 16.256 5.060 -20.461 24 HB2 SER 6 1HB SER 6 13.751 5.275 -22.056 25 HB3 SER 6 2HB SER 6 14.004 3.788 -21.141 26 HG SER 6 HG SER 6 14.496 6.173 -19.805 27 H GLY 7 H GLY 7 15.692 2.566 -20.601 28 HA2 GLY 7 1HA GLY 7 16.972 1.503 -23.043 29 HA3 GLY 7 2HA GLY 7 17.436 0.950 -21.441 30 H MET 8 H MET 8 16.909 -1.194 -22.161 31 HA MET 8 HA MET 8 14.308 -1.999 -21.391 32 HB2 MET 8 1HB MET 8 14.142 -1.067 -23.861 33 HB3 MET 8 2HB MET 8 14.781 -2.655 -24.265 34 HG2 MET 8 1HG MET 8 12.916 -3.730 -23.186 35 HG3 MET 8 2HG MET 8 12.302 -2.175 -22.632 36 HE1 MET 8 3HE MET 8 13.515 -3.601 -26.309 37 HE2 MET 8 1HE MET 8 12.655 -4.741 -25.274 38 HE3 MET 8 2HE MET 8 11.874 -4.103 -26.720 39 H ALA 9 H ALA 9 13.990 -4.387 -21.727 40 HA ALA 9 HA ALA 9 16.174 -6.034 -22.475 41 HB1 ALA 9 3HB ALA 9 15.718 -5.963 -19.506 42 HB2 ALA 9 1HB ALA 9 17.007 -6.769 -20.401 43 HB3 ALA 9 2HB ALA 9 16.974 -5.008 -20.295 44 H SER 10 H SER 10 15.803 -8.353 -21.501 45 HA SER 10 HA SER 10 13.125 -9.025 -20.771 46 HB2 SER 10 1HB SER 10 12.987 -8.509 -23.273 47 HB3 SER 10 2HB SER 10 13.959 -9.961 -23.517 48 HG SER 10 HG SER 10 11.317 -9.736 -22.988 49 H SER 11 H SER 11 12.813 -11.437 -20.745 50 HA SER 11 HA SER 11 15.210 -13.050 -20.824 51 HB2 SER 11 1HB SER 11 13.862 -12.329 -18.223 52 HB3 SER 11 2HB SER 11 14.837 -13.787 -18.399 53 HG SER 11 HG SER 11 16.086 -12.048 -17.628 54 H VAL 12 H VAL 12 14.762 -15.159 -21.182 55 HA VAL 12 HA VAL 12 11.928 -15.964 -21.054 56 HB VAL 12 HB VAL 12 12.352 -17.481 -22.924 57 HG11 VAL 12 1HG1 VAL 12 11.958 -14.817 -23.078 58 HG12 VAL 12 2HG1 VAL 12 13.431 -14.976 -24.036 59 HG13 VAL 12 3HG1 VAL 12 11.987 -15.889 -24.478 60 HG21 VAL 12 3HG2 VAL 12 15.094 -16.887 -22.302 61 HG22 VAL 12 1HG2 VAL 12 14.430 -18.147 -23.342 62 HG23 VAL 12 2HG2 VAL 12 14.764 -16.546 -24.001 63 H LEU 13 H LEU 13 11.470 -17.575 -19.714 64 HA LEU 13 HA LEU 13 13.340 -19.746 -19.291 65 HB2 LEU 13 1HB LEU 13 12.740 -17.679 -17.252 66 HB3 LEU 13 2HB LEU 13 12.810 -19.354 -16.710 67 HG LEU 13 HG LEU 13 15.073 -18.191 -18.287 68 HD11 LEU 13 1HD1 LEU 13 15.570 -18.091 -15.464 69 HD12 LEU 13 2HD1 LEU 13 14.178 -17.088 -15.872 70 HD13 LEU 13 3HD1 LEU 13 15.725 -16.817 -16.674 71 HD21 LEU 13 3HD2 LEU 13 16.147 -19.810 -16.440 72 HD22 LEU 13 1HD2 LEU 13 15.573 -20.379 -18.008 73 HD23 LEU 13 2HD2 LEU 13 14.550 -20.546 -16.581 74 H GLU 14 H GLU 14 12.363 -21.421 -17.788 75 HA GLU 14 HA GLU 14 9.819 -22.146 -18.733 76 HB2 GLU 14 1HB GLU 14 11.360 -23.155 -16.336 77 HB3 GLU 14 2HB GLU 14 9.916 -23.920 -16.985 78 HG2 GLU 14 1HG GLU 14 11.044 -24.386 -19.063 79 HG3 GLU 14 2HG GLU 14 12.475 -23.513 -18.516 80 H MET 15 H MET 15 7.930 -21.271 -18.232 81 HA MET 15 HA MET 15 6.999 -21.015 -15.581 82 HB2 MET 15 1HB MET 15 6.806 -18.597 -15.402 83 HB3 MET 15 2HB MET 15 8.494 -19.057 -15.579 84 HG2 MET 15 1HG MET 15 8.350 -18.497 -17.982 85 HG3 MET 15 2HG MET 15 6.701 -17.935 -17.717 86 HE1 MET 15 3HE MET 15 9.965 -15.887 -18.400 87 HE2 MET 15 1HE MET 15 8.468 -16.425 -19.162 88 HE3 MET 15 2HE MET 15 8.579 -14.799 -18.490 89 H ILE 16 H ILE 16 4.838 -21.130 -15.612 90 HA ILE 16 HA ILE 16 3.494 -20.892 -18.191 91 HB ILE 16 HB ILE 16 2.467 -21.954 -15.556 92 HG12 ILE 16 1HG1 ILE 16 3.031 -23.592 -18.008 93 HG13 ILE 16 2HG1 ILE 16 4.335 -23.191 -16.896 94 HG21 ILE 16 1HG2 ILE 16 0.915 -20.972 -17.505 95 HG22 ILE 16 2HG2 ILE 16 1.132 -22.614 -18.107 96 HG23 ILE 16 3HG2 ILE 16 0.450 -22.346 -16.503 97 HD11 ILE 16 3HD1 ILE 16 1.805 -24.656 -16.183 98 HD12 ILE 16 1HD1 ILE 16 3.393 -25.383 -16.427 99 HD13 ILE 16 2HD1 ILE 16 3.128 -24.273 -15.082 100 H LYS 17 H LYS 17 3.037 -18.795 -18.602 101 HA LYS 17 HA LYS 17 1.351 -17.396 -16.635 102 HB2 LYS 17 1HB LYS 17 3.462 -16.148 -18.405 103 HB3 LYS 17 2HB LYS 17 2.376 -15.269 -17.337 104 HG2 LYS 17 1HG LYS 17 4.392 -17.309 -16.422 105 HG3 LYS 17 2HG LYS 17 4.647 -15.563 -16.414 106 HD2 LYS 17 1HD LYS 17 2.701 -15.314 -14.918 107 HD3 LYS 17 2HD LYS 17 2.520 -17.070 -14.891 108 HE2 LYS 17 1HE LYS 17 5.079 -15.717 -14.087 109 HE3 LYS 17 2HE LYS 17 3.763 -15.979 -12.943 110 HZ1 LYS 17 3HZ LYS 17 5.678 -17.842 -13.968 111 HZ2 LYS 17 1HZ LYS 17 4.091 -18.404 -14.137 112 HZ3 LYS 17 2HZ LYS 17 4.675 -17.965 -12.612 113 H GLU 18 H GLU 18 -0.510 -16.578 -17.399 114 HA GLU 18 HA GLU 18 -0.852 -16.375 -20.313 115 HB2 GLU 18 1HB GLU 18 -2.612 -17.775 -18.320 116 HB3 GLU 18 2HB GLU 18 -3.278 -17.140 -19.818 117 HG2 GLU 18 1HG GLU 18 -1.897 -18.561 -21.131 118 HG3 GLU 18 2HG GLU 18 -0.966 -19.056 -19.718 119 H GLU 19 H GLU 19 -0.512 -14.110 -20.038 120 HA GLU 19 HA GLU 19 -1.147 -11.944 -19.737 121 HB2 GLU 19 1HB GLU 19 -3.694 -13.415 -20.191 122 HB3 GLU 19 2HB GLU 19 -3.806 -11.753 -19.628 123 HG2 GLU 19 1HG GLU 19 -2.644 -10.941 -21.532 124 HG3 GLU 19 2HG GLU 19 -2.210 -12.572 -22.038 125 H VAL 20 H VAL 20 -0.518 -13.438 -17.381 126 HA VAL 20 HA VAL 20 -2.126 -11.940 -15.420 127 HB VAL 20 HB VAL 20 -1.777 -13.822 -13.816 128 HG11 VAL 20 1HG1 VAL 20 -3.923 -13.635 -14.796 129 HG12 VAL 20 2HG1 VAL 20 -3.360 -14.300 -16.330 130 HG13 VAL 20 3HG1 VAL 20 -3.477 -15.337 -14.907 131 HG21 VAL 20 3HG2 VAL 20 -1.377 -15.840 -15.862 132 HG22 VAL 20 1HG2 VAL 20 -0.003 -14.742 -15.730 133 HG23 VAL 20 2HG2 VAL 20 -0.564 -15.628 -14.312 134 H THR 21 H THR 21 0.491 -11.428 -16.742 135 HA THR 21 HA THR 21 2.182 -11.352 -14.328 136 HB THR 21 HB THR 21 3.217 -11.247 -17.160 137 HG1 THR 21 1HG THR 21 2.143 -13.337 -15.990 138 HG21 THR 21 3HG2 THR 21 4.400 -11.250 -14.452 139 HG22 THR 21 1HG2 THR 21 4.993 -10.527 -15.947 140 HG23 THR 21 2HG2 THR 21 5.209 -12.253 -15.656 141 H CYS 22 H CYS 22 3.519 -9.480 -14.043 142 HA CYS 22 HA CYS 22 2.196 -7.052 -14.415 143 HB2 CYS 22 1HB CYS 22 4.085 -7.690 -12.759 144 HB3 CYS 22 2HB CYS 22 5.177 -7.212 -14.055 145 HA PRO 23 HA PRO 23 3.162 -6.359 -18.715 146 HB2 PRO 23 1HB PRO 23 1.868 -3.979 -18.897 147 HB3 PRO 23 2HB PRO 23 1.026 -5.533 -18.903 148 HG2 PRO 23 1HG PRO 23 1.431 -3.607 -16.648 149 HG3 PRO 23 2HG PRO 23 -0.027 -4.508 -17.101 150 HD2 PRO 23 1HD PRO 23 1.598 -5.288 -15.081 151 HD3 PRO 23 2HD PRO 23 0.702 -6.444 -16.086 152 H ILE 24 H ILE 24 4.471 -4.950 -16.047 153 HA ILE 24 HA ILE 24 5.916 -2.894 -17.574 154 HB ILE 24 HB ILE 24 5.556 -3.241 -14.599 155 HG12 ILE 24 1HG1 ILE 24 4.764 -0.976 -16.440 156 HG13 ILE 24 2HG1 ILE 24 3.671 -2.245 -15.900 157 HG21 ILE 24 1HG2 ILE 24 6.788 -0.949 -14.627 158 HG22 ILE 24 2HG2 ILE 24 7.719 -2.445 -14.680 159 HG23 ILE 24 3HG2 ILE 24 7.439 -1.528 -16.160 160 HD11 ILE 24 3HD1 ILE 24 4.105 0.182 -14.674 161 HD12 ILE 24 1HD1 ILE 24 3.303 -1.221 -13.968 162 HD13 ILE 24 2HD1 ILE 24 5.025 -0.956 -13.689 163 H CYS 25 H CYS 25 6.684 -5.002 -14.800 164 HA CYS 25 HA CYS 25 9.429 -5.217 -15.684 165 HB2 CYS 25 1HB CYS 25 9.640 -6.673 -13.621 166 HB3 CYS 25 2HB CYS 25 9.138 -5.010 -13.331 167 H LEU 26 H LEU 26 6.522 -7.103 -15.811 168 HA LEU 26 HA LEU 26 6.012 -9.018 -16.934 169 HB2 LEU 26 1HB LEU 26 8.857 -9.051 -17.913 170 HB3 LEU 26 2HB LEU 26 7.458 -9.842 -18.636 171 HG LEU 26 HG LEU 26 7.644 -6.851 -18.443 172 HD11 LEU 26 1HD1 LEU 26 9.586 -7.271 -19.643 173 HD12 LEU 26 2HD1 LEU 26 8.370 -7.078 -20.905 174 HD13 LEU 26 3HD1 LEU 26 8.907 -8.691 -20.439 175 HD21 LEU 26 3HD2 LEU 26 5.459 -7.813 -18.933 176 HD22 LEU 26 1HD2 LEU 26 6.149 -8.723 -20.277 177 HD23 LEU 26 2HD2 LEU 26 6.101 -6.961 -20.338 178 H GLU 27 H GLU 27 6.560 -9.286 -14.313 179 HA GLU 27 HA GLU 27 7.634 -11.981 -14.200 180 HB2 GLU 27 1HB GLU 27 9.250 -11.583 -12.517 181 HB3 GLU 27 2HB GLU 27 9.542 -10.371 -13.756 182 HG2 GLU 27 1HG GLU 27 8.880 -8.647 -12.431 183 HG3 GLU 27 2HG GLU 27 7.751 -9.640 -11.512 184 H LEU 28 H LEU 28 7.255 -12.976 -12.028 185 HA LEU 28 HA LEU 28 4.693 -13.089 -11.272 186 HB2 LEU 28 1HB LEU 28 7.209 -13.420 -9.721 187 HB3 LEU 28 2HB LEU 28 5.678 -13.455 -8.849 188 HG LEU 28 HG LEU 28 6.304 -15.273 -11.169 189 HD11 LEU 28 1HD1 LEU 28 6.578 -15.835 -8.219 190 HD12 LEU 28 2HD1 LEU 28 7.909 -15.658 -9.363 191 HD13 LEU 28 3HD1 LEU 28 6.779 -17.002 -9.527 192 HD21 LEU 28 3HD2 LEU 28 4.051 -14.926 -9.272 193 HD22 LEU 28 1HD2 LEU 28 4.490 -16.573 -9.726 194 HD23 LEU 28 2HD2 LEU 28 4.043 -15.405 -10.970 195 H LEU 29 H LEU 29 3.209 -11.745 -10.505 196 HA LEU 29 HA LEU 29 3.859 -9.082 -9.735 197 HB2 LEU 29 1HB LEU 29 1.280 -10.633 -9.594 198 HB3 LEU 29 2HB LEU 29 1.423 -8.915 -9.225 199 HG LEU 29 HG LEU 29 2.348 -9.848 -11.893 200 HD11 LEU 29 1HD1 LEU 29 0.156 -10.983 -11.457 201 HD12 LEU 29 2HD1 LEU 29 0.163 -9.872 -12.826 202 HD13 LEU 29 3HD1 LEU 29 -0.565 -9.381 -11.297 203 HD21 LEU 29 3HD2 LEU 29 2.116 -7.680 -12.457 204 HD22 LEU 29 1HD2 LEU 29 2.192 -7.426 -10.713 205 HD23 LEU 29 2HD2 LEU 29 0.628 -7.486 -11.528 206 H LYS 30 H LYS 30 4.687 -8.541 -7.836 207 HA LYS 30 HA LYS 30 4.113 -10.184 -5.484 208 HB2 LYS 30 1HB LYS 30 6.465 -9.691 -5.968 209 HB3 LYS 30 2HB LYS 30 6.129 -7.967 -5.894 210 HG2 LYS 30 1HG LYS 30 5.260 -8.593 -3.483 211 HG3 LYS 30 2HG LYS 30 6.363 -9.954 -3.701 212 HD2 LYS 30 1HD LYS 30 7.670 -8.305 -2.675 213 HD3 LYS 30 2HD LYS 30 8.098 -8.199 -4.384 214 HE2 LYS 30 1HE LYS 30 6.664 -6.290 -4.676 215 HE3 LYS 30 2HE LYS 30 6.046 -6.451 -3.033 216 HZ1 LYS 30 3HZ LYS 30 7.634 -5.014 -2.485 217 HZ2 LYS 30 1HZ LYS 30 8.442 -5.188 -3.962 218 HZ3 LYS 30 2HZ LYS 30 8.739 -6.276 -2.702 219 H GLU 31 H GLU 31 2.527 -9.596 -4.170 220 HA GLU 31 HA GLU 31 0.826 -8.322 -3.294 221 HB2 GLU 31 1HB GLU 31 3.237 -6.589 -2.724 222 HB3 GLU 31 2HB GLU 31 1.680 -6.443 -1.921 223 HG2 GLU 31 1HG GLU 31 3.479 -8.853 -1.836 224 HG3 GLU 31 2HG GLU 31 3.294 -7.655 -0.557 225 HA PRO 32 HA PRO 32 0.839 -5.336 -6.960 226 HB2 PRO 32 1HB PRO 32 -1.083 -6.591 -8.409 227 HB3 PRO 32 2HB PRO 32 0.638 -6.957 -8.576 228 HG2 PRO 32 1HG PRO 32 -1.468 -8.420 -7.031 229 HG3 PRO 32 2HG PRO 32 -0.177 -9.072 -8.058 230 HD2 PRO 32 1HD PRO 32 -0.001 -9.012 -5.356 231 HD3 PRO 32 2HD PRO 32 1.418 -8.847 -6.410 232 H VAL 33 H VAL 33 -1.079 -4.099 -7.746 233 HA VAL 33 HA VAL 33 -3.296 -4.133 -5.808 234 HB VAL 33 HB VAL 33 -3.352 -1.689 -5.817 235 HG11 VAL 33 1HG1 VAL 33 -1.916 -3.089 -4.210 236 HG12 VAL 33 2HG1 VAL 33 -0.541 -2.467 -5.125 237 HG13 VAL 33 3HG1 VAL 33 -1.624 -1.352 -4.289 238 HG21 VAL 33 3HG2 VAL 33 -1.315 -2.055 -7.899 239 HG22 VAL 33 1HG2 VAL 33 -2.461 -0.738 -7.648 240 HG23 VAL 33 2HG2 VAL 33 -0.957 -0.786 -6.728 241 H SER 34 H SER 34 -5.179 -4.405 -6.790 242 HA SER 34 HA SER 34 -5.463 -4.286 -9.614 243 HB2 SER 34 1HB SER 34 -7.489 -4.580 -7.390 244 HB3 SER 34 2HB SER 34 -7.909 -4.660 -9.101 245 HG SER 34 HG SER 34 -7.545 -6.734 -8.476 246 H ALA 35 H ALA 35 -6.715 -2.876 -10.877 247 HA ALA 35 HA ALA 35 -7.366 -0.294 -9.617 248 HB1 ALA 35 3HB ALA 35 -5.269 -0.094 -10.861 249 HB2 ALA 35 1HB ALA 35 -6.077 -0.675 -12.317 250 HB3 ALA 35 2HB ALA 35 -6.552 0.865 -11.600 251 H ASP 36 H ASP 36 -8.791 1.060 -11.115 252 HA ASP 36 HA ASP 36 -11.229 -0.173 -11.494 253 HB2 ASP 36 1HB ASP 36 -10.014 2.361 -12.499 254 HB3 ASP 36 2HB ASP 36 -11.540 1.832 -13.203 255 H CYS 37 H CYS 37 -8.595 0.265 -13.797 256 HA CYS 37 HA CYS 37 -10.096 -0.904 -15.971 257 HB2 CYS 37 1HB CYS 37 -7.905 -0.723 -17.192 258 HB3 CYS 37 2HB CYS 37 -8.520 0.801 -16.561 259 H ASN 38 H ASN 38 -9.903 -2.584 -13.701 260 HA ASN 38 HA ASN 38 -9.104 -4.623 -12.963 261 HB2 ASN 38 1HB ASN 38 -9.671 -5.150 -15.890 262 HB3 ASN 38 2HB ASN 38 -9.541 -6.389 -14.644 263 HD21 ASN 38 1HD2 ASN 38 -11.791 -6.009 -16.260 264 HD22 ASN 38 2HD2 ASN 38 -13.107 -5.515 -15.255 265 H HIS 39 H HIS 39 -6.929 -2.955 -13.529 266 HA HIS 39 HA HIS 39 -4.991 -4.897 -14.605 267 HB2 HIS 39 1HB HIS 39 -4.994 -1.887 -14.875 268 HB3 HIS 39 2HB HIS 39 -3.605 -2.898 -15.264 269 HD2 HIS 39 2HD HIS 39 -5.917 -5.136 -16.707 270 HE1 HIS 39 1HE HIS 39 -5.913 -2.014 -19.579 271 HE2 HIS 39 2HE HIS 39 -6.592 -4.389 -19.089 272 H SER 40 H SER 40 -3.668 -5.632 -13.092 273 HA SER 40 HA SER 40 -3.132 -3.942 -10.742 274 HB2 SER 40 1HB SER 40 -2.634 -6.032 -9.540 275 HB3 SER 40 2HB SER 40 -4.261 -6.062 -10.221 276 HG SER 40 HG SER 40 -3.126 -7.159 -12.076 277 H PHE 41 H PHE 41 -1.030 -3.727 -9.964 278 HA PHE 41 HA PHE 41 1.145 -4.882 -11.531 279 HB2 PHE 41 1HB PHE 41 1.287 -1.953 -10.935 280 HB3 PHE 41 2HB PHE 41 2.111 -2.878 -12.186 281 HD1 PHE 41 1HD PHE 41 -1.084 -1.335 -11.209 282 HD2 PHE 41 2HD PHE 41 1.132 -3.209 -14.323 283 HE1 PHE 41 1HE PHE 41 -2.789 -0.635 -12.840 284 HE2 PHE 41 2HE PHE 41 -0.569 -2.511 -15.958 285 HZ PHE 41 HZ PHE 41 -2.532 -1.222 -15.218 286 H CYS 42 H CYS 42 3.200 -4.803 -10.475 287 HA CYS 42 HA CYS 42 3.256 -5.494 -7.843 288 HB2 CYS 42 1HB CYS 42 5.469 -3.951 -9.207 289 HB3 CYS 42 2HB CYS 42 5.634 -5.068 -7.856 290 H ARG 43 H ARG 43 3.026 -4.507 -5.942 291 HA ARG 43 HA ARG 43 1.955 -2.119 -5.441 292 HB2 ARG 43 1HB ARG 43 2.421 -3.661 -3.645 293 HB3 ARG 43 2HB ARG 43 4.154 -3.430 -3.838 294 HG2 ARG 43 1HG ARG 43 3.518 -2.192 -1.936 295 HG3 ARG 43 2HG ARG 43 3.786 -1.017 -3.224 296 HD2 ARG 43 1HD ARG 43 1.396 -0.872 -3.623 297 HD3 ARG 43 2HD ARG 43 1.098 -2.112 -2.405 298 HE ARG 43 HE ARG 43 2.525 0.046 -1.270 299 HH11 ARG 43 1HH1 ARG 43 -0.639 -0.823 -2.434 300 HH12 ARG 43 2HH1 ARG 43 -1.470 0.286 -1.393 301 HH21 ARG 43 1HH2 ARG 43 1.443 1.509 0.105 302 HH22 ARG 43 2HH2 ARG 43 -0.284 1.612 0.050 303 H ALA 44 H ALA 44 5.410 -2.643 -5.994 304 HA ALA 44 HA ALA 44 6.087 0.124 -5.631 305 HB1 ALA 44 3HB ALA 44 8.194 -0.609 -5.593 306 HB2 ALA 44 1HB ALA 44 7.507 -2.234 -5.630 307 HB3 ALA 44 2HB ALA 44 8.016 -1.456 -7.130 308 H CYS 45 H CYS 45 6.095 -2.041 -8.470 309 HA CYS 45 HA CYS 45 6.770 -0.418 -10.490 310 HB2 CYS 45 1HB CYS 45 4.638 -2.511 -10.306 311 HB3 CYS 45 2HB CYS 45 4.802 -1.582 -11.793 312 H ILE 46 H ILE 46 3.323 -0.738 -9.628 313 HA ILE 46 HA ILE 46 2.315 1.351 -11.070 314 HB ILE 46 HB ILE 46 0.884 -0.181 -9.828 315 HG12 ILE 46 1HG1 ILE 46 -0.546 1.710 -8.646 316 HG13 ILE 46 2HG1 ILE 46 0.610 2.769 -9.447 317 HG21 ILE 46 1HG2 ILE 46 1.848 -0.614 -7.789 318 HG22 ILE 46 2HG2 ILE 46 2.212 1.082 -7.479 319 HG23 ILE 46 3HG2 ILE 46 0.558 0.492 -7.319 320 HD11 ILE 46 3HD1 ILE 46 -0.804 0.655 -11.005 321 HD12 ILE 46 1HD1 ILE 46 -1.617 2.171 -10.617 322 HD13 ILE 46 2HD1 ILE 46 -0.121 2.186 -11.552 323 H THR 47 H THR 47 4.069 1.493 -8.043 324 HA THR 47 HA THR 47 3.492 4.250 -7.523 325 HB THR 47 HB THR 47 5.743 2.575 -6.398 326 HG1 THR 47 1HG THR 47 4.166 1.551 -5.434 327 HG21 THR 47 3HG2 THR 47 5.603 4.168 -4.511 328 HG22 THR 47 1HG2 THR 47 4.417 5.105 -5.417 329 HG23 THR 47 2HG2 THR 47 6.066 4.949 -6.022 330 H LEU 48 H LEU 48 6.575 2.628 -8.309 331 HA LEU 48 HA LEU 48 8.091 4.854 -8.843 332 HB2 LEU 48 1HB LEU 48 8.585 2.247 -8.911 333 HB3 LEU 48 2HB LEU 48 8.425 2.516 -10.645 334 HG LEU 48 HG LEU 48 10.747 2.598 -10.057 335 HD11 LEU 48 1HD1 LEU 48 11.349 4.755 -10.918 336 HD12 LEU 48 2HD1 LEU 48 9.778 5.421 -10.473 337 HD13 LEU 48 3HD1 LEU 48 9.891 4.204 -11.744 338 HD21 LEU 48 3HD2 LEU 48 11.446 4.566 -8.515 339 HD22 LEU 48 1HD2 LEU 48 10.881 3.058 -7.796 340 HD23 LEU 48 2HD2 LEU 48 9.795 4.443 -7.905 341 H ASN 49 H ASN 49 5.876 3.161 -11.014 342 HA ASN 49 HA ASN 49 6.505 4.612 -13.349 343 HB2 ASN 49 1HB ASN 49 5.246 2.457 -13.299 344 HB3 ASN 49 2HB ASN 49 3.861 3.324 -12.642 345 HD21 ASN 49 1HD2 ASN 49 5.848 2.787 -15.437 346 HD22 ASN 49 2HD2 ASN 49 4.788 3.525 -16.584 347 H TYR 50 H TYR 50 3.877 5.021 -10.983 348 HA TYR 50 HA TYR 50 2.582 7.181 -12.095 349 HB2 TYR 50 1HB TYR 50 1.534 6.268 -10.223 350 HB3 TYR 50 2HB TYR 50 3.004 6.310 -9.255 351 HD1 TYR 50 2HD TYR 50 0.194 8.299 -10.542 352 HD2 TYR 50 1HD TYR 50 3.642 8.294 -8.049 353 HE1 TYR 50 2HE TYR 50 -0.538 10.420 -9.536 354 HE2 TYR 50 1HE TYR 50 2.919 10.415 -7.035 355 HH TYR 50 HH TYR 50 1.429 12.064 -7.079 356 H GLU 51 H GLU 51 5.434 7.191 -9.992 357 HA GLU 51 HA GLU 51 5.746 9.877 -9.528 358 HB2 GLU 51 1HB GLU 51 7.871 7.808 -10.105 359 HB3 GLU 51 2HB GLU 51 8.212 9.415 -9.480 360 HG2 GLU 51 1HG GLU 51 6.578 7.282 -8.127 361 HG3 GLU 51 2HG GLU 51 8.206 7.797 -7.690 362 H SER 52 H SER 52 6.868 8.058 -12.367 363 HA SER 52 HA SER 52 7.804 10.459 -13.672 364 HB2 SER 52 1HB SER 52 7.786 7.541 -14.325 365 HB3 SER 52 2HB SER 52 7.986 8.698 -15.641 366 HG SER 52 HG SER 52 9.960 7.924 -14.551 367 H ASN 53 H ASN 53 5.370 7.984 -14.507 368 HA ASN 53 HA ASN 53 4.124 9.777 -16.405 369 HB2 ASN 53 1HB ASN 53 3.343 6.995 -15.503 370 HB3 ASN 53 2HB ASN 53 2.588 7.882 -16.824 371 HD21 ASN 53 1HD2 ASN 53 5.711 6.663 -15.707 372 HD22 ASN 53 2HD2 ASN 53 6.339 6.322 -17.280 373 H ARG 54 H ARG 54 3.081 11.432 -15.430 374 HA ARG 54 HA ARG 54 0.666 10.823 -13.981 375 HB2 ARG 54 1HB ARG 54 1.176 12.115 -11.999 376 HB3 ARG 54 2HB ARG 54 2.371 10.840 -12.186 377 HG2 ARG 54 1HG ARG 54 4.023 12.365 -12.918 378 HG3 ARG 54 2HG ARG 54 2.837 13.656 -13.120 379 HD2 ARG 54 1HD ARG 54 2.597 13.955 -10.815 380 HD3 ARG 54 2HD ARG 54 3.310 12.385 -10.447 381 HE ARG 54 HE ARG 54 5.081 14.276 -11.733 382 HH11 ARG 54 1HH1 ARG 54 3.901 12.961 -8.734 383 HH12 ARG 54 2HH1 ARG 54 5.289 13.454 -7.821 384 HH21 ARG 54 1HH2 ARG 54 6.914 14.930 -10.543 385 HH22 ARG 54 2HH2 ARG 54 7.001 14.574 -8.851 386 H ASN 55 H ASN 55 -0.637 12.785 -13.574 387 HA ASN 55 HA ASN 55 -0.137 14.774 -15.677 388 HB2 ASN 55 1HB ASN 55 -2.622 13.686 -14.407 389 HB3 ASN 55 2HB ASN 55 -2.655 15.295 -15.120 390 HD21 ASN 55 1HD2 ASN 55 -3.812 12.563 -15.818 391 HD22 ASN 55 2HD2 ASN 55 -3.440 12.381 -17.496 392 H THR 56 H THR 56 -1.087 16.994 -15.160 393 HA THR 56 HA THR 56 0.115 17.891 -12.680 394 HB THR 56 HB THR 56 0.448 19.124 -14.832 395 HG1 THR 56 1HG THR 56 -0.711 21.112 -13.417 396 HG21 THR 56 3HG2 THR 56 -2.502 19.433 -14.548 397 HG22 THR 56 1HG2 THR 56 -1.528 19.192 -15.998 398 HG23 THR 56 2HG2 THR 56 -1.578 20.775 -15.223 399 H ASP 57 H ASP 57 -2.348 16.307 -12.566 400 HA ASP 57 HA ASP 57 -4.059 18.276 -11.196 401 HB2 ASP 57 1HB ASP 57 -5.053 15.783 -12.586 402 HB3 ASP 57 2HB ASP 57 -6.026 17.067 -11.874 403 H GLY 58 H GLY 58 -3.012 14.891 -11.345 404 HA2 GLY 58 1HA GLY 58 -2.271 14.367 -8.860 405 HA3 GLY 58 2HA GLY 58 -4.013 14.426 -8.641 406 H LYS 59 H LYS 59 -4.792 13.240 -11.073 407 HA LYS 59 HA LYS 59 -4.394 10.477 -10.398 408 HB2 LYS 59 1HB LYS 59 -5.948 11.872 -12.573 409 HB3 LYS 59 2HB LYS 59 -5.853 10.120 -12.459 410 HG2 LYS 59 1HG LYS 59 -6.735 10.372 -10.094 411 HG3 LYS 59 2HG LYS 59 -7.102 12.045 -10.525 412 HD2 LYS 59 1HD LYS 59 -8.566 11.325 -12.292 413 HD3 LYS 59 2HD LYS 59 -8.096 9.641 -12.052 414 HE2 LYS 59 1HE LYS 59 -8.953 10.054 -9.619 415 HE3 LYS 59 2HE LYS 59 -9.828 11.392 -10.361 416 HZ1 LYS 59 3HZ LYS 59 -10.741 9.739 -11.964 417 HZ2 LYS 59 1HZ LYS 59 -11.246 9.509 -10.366 418 HZ3 LYS 59 2HZ LYS 59 -10.051 8.511 -11.027 419 H GLY 60 H GLY 60 -3.459 8.864 -11.689 420 HA2 GLY 60 1HA GLY 60 -1.438 9.896 -13.570 421 HA3 GLY 60 2HA GLY 60 -1.301 8.398 -12.661 422 H ASN 61 H ASN 61 -0.755 8.174 -15.233 423 HA ASN 61 HA ASN 61 -3.208 7.161 -16.507 424 HB2 ASN 61 1HB ASN 61 -1.975 7.335 -18.641 425 HB3 ASN 61 2HB ASN 61 -2.088 8.887 -17.817 426 HD21 ASN 61 1HD2 ASN 61 -0.241 9.765 -16.855 427 HD22 ASN 61 2HD2 ASN 61 1.346 9.236 -17.290 428 H CYS 62 H CYS 62 -3.299 5.081 -17.282 429 HA CYS 62 HA CYS 62 -1.471 3.207 -16.077 430 HB2 CYS 62 1HB CYS 62 -3.916 2.786 -16.195 431 HB3 CYS 62 2HB CYS 62 -3.792 2.693 -17.949 432 HA PRO 63 HA PRO 63 1.247 3.006 -19.575 433 HB2 PRO 63 1HB PRO 63 2.699 0.876 -18.724 434 HB3 PRO 63 2HB PRO 63 2.896 2.501 -18.057 435 HG2 PRO 63 1HG PRO 63 1.359 0.178 -16.961 436 HG3 PRO 63 2HG PRO 63 2.416 1.320 -16.112 437 HD2 PRO 63 1HD PRO 63 -0.283 1.527 -16.072 438 HD3 PRO 63 2HD PRO 63 0.784 2.944 -16.003 439 H VAL 64 H VAL 64 -1.341 1.145 -19.044 440 HA VAL 64 HA VAL 64 -0.669 -0.732 -21.217 441 HB VAL 64 HB VAL 64 -2.589 -1.173 -18.926 442 HG11 VAL 64 1HG1 VAL 64 -3.259 -3.161 -19.883 443 HG12 VAL 64 2HG1 VAL 64 -3.105 -2.122 -21.302 444 HG13 VAL 64 3HG1 VAL 64 -1.828 -3.274 -20.907 445 HG21 VAL 64 3HG2 VAL 64 -1.062 -2.855 -18.165 446 HG22 VAL 64 1HG2 VAL 64 -0.042 -2.642 -19.588 447 HG23 VAL 64 2HG2 VAL 64 -0.159 -1.356 -18.387 448 H CYS 65 H CYS 65 -3.470 0.805 -19.625 449 HA CYS 65 HA CYS 65 -4.788 0.944 -22.249 450 HB2 CYS 65 1HB CYS 65 -6.885 1.224 -20.997 451 HB3 CYS 65 2HB CYS 65 -6.053 -0.256 -20.531 452 H ARG 66 H ARG 66 -3.159 2.815 -19.980 453 HA ARG 66 HA ARG 66 -2.837 5.050 -19.701 454 HB2 ARG 66 1HB ARG 66 -3.787 4.910 -22.548 455 HB3 ARG 66 2HB ARG 66 -3.422 6.457 -21.796 456 HG2 ARG 66 1HG ARG 66 -1.467 5.857 -22.921 457 HG3 ARG 66 2HG ARG 66 -1.149 5.464 -21.230 458 HD2 ARG 66 1HD ARG 66 -2.002 3.110 -21.858 459 HD3 ARG 66 2HD ARG 66 -1.727 3.623 -23.523 460 HE ARG 66 HE ARG 66 0.278 3.025 -21.525 461 HH11 ARG 66 1HH1 ARG 66 -0.431 4.527 -24.585 462 HH12 ARG 66 2HH1 ARG 66 1.210 4.477 -25.138 463 HH21 ARG 66 1HH2 ARG 66 2.442 2.954 -22.241 464 HH22 ARG 66 2HH2 ARG 66 2.843 3.582 -23.804 465 H VAL 67 H VAL 67 -5.159 4.082 -18.555 466 HA VAL 67 HA VAL 67 -7.197 6.119 -19.123 467 HB VAL 67 HB VAL 67 -7.391 3.582 -17.494 468 HG11 VAL 67 1HG1 VAL 67 -9.713 5.290 -18.305 469 HG12 VAL 67 2HG1 VAL 67 -9.615 4.069 -17.034 470 HG13 VAL 67 3HG1 VAL 67 -8.819 5.629 -16.823 471 HG21 VAL 67 3HG2 VAL 67 -8.864 4.175 -20.036 472 HG22 VAL 67 1HG2 VAL 67 -7.236 3.497 -20.066 473 HG23 VAL 67 2HG2 VAL 67 -8.543 2.617 -19.274 474 HA PRO 68 HA PRO 68 -6.083 8.363 -15.492 475 HB2 PRO 68 1HB PRO 68 -8.381 9.774 -15.184 476 HB3 PRO 68 2HB PRO 68 -7.193 10.137 -16.441 477 HG2 PRO 68 1HG PRO 68 -9.752 8.597 -16.642 478 HG3 PRO 68 2HG PRO 68 -9.083 9.805 -17.754 479 HD2 PRO 68 1HD PRO 68 -8.896 7.143 -18.212 480 HD3 PRO 68 2HD PRO 68 -7.647 8.292 -18.735 481 H TYR 69 H TYR 69 -5.925 7.040 -13.745 482 HA TYR 69 HA TYR 69 -8.436 6.336 -12.372 483 HB2 TYR 69 1HB TYR 69 -7.404 4.308 -11.563 484 HB3 TYR 69 2HB TYR 69 -7.248 4.361 -13.315 485 HD1 TYR 69 2HD TYR 69 -5.047 4.894 -14.341 486 HD2 TYR 69 1HD TYR 69 -5.484 4.301 -10.150 487 HE1 TYR 69 2HE TYR 69 -2.617 4.573 -14.138 488 HE2 TYR 69 1HE TYR 69 -3.055 3.979 -9.936 489 HH TYR 69 HH TYR 69 -0.877 4.880 -12.178 490 HA PRO 70 HA PRO 70 -6.982 8.546 -8.866 491 HB2 PRO 70 1HB PRO 70 -8.169 7.145 -6.867 492 HB3 PRO 70 2HB PRO 70 -9.065 8.212 -7.955 493 HG2 PRO 70 1HG PRO 70 -8.768 5.234 -8.041 494 HG3 PRO 70 2HG PRO 70 -10.218 6.221 -8.297 495 HD2 PRO 70 1HD PRO 70 -8.786 5.176 -10.344 496 HD3 PRO 70 2HD PRO 70 -9.643 6.726 -10.472 497 H PHE 71 H PHE 71 -5.664 8.387 -6.951 498 HA PHE 71 HA PHE 71 -3.793 6.143 -7.103 499 HB2 PHE 71 1HB PHE 71 -2.951 8.502 -7.212 500 HB3 PHE 71 2HB PHE 71 -3.507 8.726 -5.557 501 HD1 PHE 71 1HD PHE 71 -1.551 6.135 -7.405 502 HD2 PHE 71 2HD PHE 71 -1.830 8.682 -4.007 503 HE1 PHE 71 1HE PHE 71 0.589 5.252 -6.572 504 HE2 PHE 71 2HE PHE 71 0.310 7.804 -3.169 505 HZ PHE 71 HZ PHE 71 1.523 6.088 -4.452 506 H GLY 72 H GLY 72 -5.463 8.055 -4.594 507 HA2 GLY 72 1HA GLY 72 -4.905 6.103 -2.558 508 HA3 GLY 72 2HA GLY 72 -5.923 7.526 -2.390 509 H ASN 73 H ASN 73 -6.159 4.763 -4.613 510 HA ASN 73 HA ASN 73 -8.689 4.015 -3.324 511 HB2 ASN 73 1HB ASN 73 -8.254 4.402 -6.293 512 HB3 ASN 73 2HB ASN 73 -9.678 3.642 -5.588 513 HD21 ASN 73 1HD2 ASN 73 -11.232 5.066 -6.045 514 HD22 ASN 73 2HD2 ASN 73 -11.230 6.724 -5.558 515 H LEU 74 H LEU 74 -6.162 3.093 -5.635 516 HA LEU 74 HA LEU 74 -6.575 0.542 -6.232 517 HB2 LEU 74 1HB LEU 74 -3.987 1.470 -4.997 518 HB3 LEU 74 2HB LEU 74 -4.199 0.101 -6.086 519 HG LEU 74 HG LEU 74 -4.680 2.977 -6.859 520 HD11 LEU 74 1HD1 LEU 74 -2.366 1.418 -7.870 521 HD12 LEU 74 2HD1 LEU 74 -2.261 2.102 -6.249 522 HD13 LEU 74 3HD1 LEU 74 -2.547 3.156 -7.633 523 HD21 LEU 74 3HD2 LEU 74 -4.086 1.196 -9.013 524 HD22 LEU 74 1HD2 LEU 74 -5.535 2.164 -8.737 525 HD23 LEU 74 2HD2 LEU 74 -5.421 0.538 -8.065 526 H LYS 75 H LYS 75 -6.345 -1.516 -5.326 527 HA LYS 75 HA LYS 75 -6.296 -1.594 -2.381 528 HB2 LYS 75 1HB LYS 75 -7.979 -3.311 -4.215 529 HB3 LYS 75 2HB LYS 75 -7.927 -3.424 -2.461 530 HG2 LYS 75 1HG LYS 75 -9.141 -1.503 -2.162 531 HG3 LYS 75 2HG LYS 75 -8.656 -0.825 -3.718 532 HD2 LYS 75 1HD LYS 75 -10.943 -1.419 -3.925 533 HD3 LYS 75 2HD LYS 75 -10.026 -2.646 -4.803 534 HE2 LYS 75 1HE LYS 75 -10.813 -3.036 -1.935 535 HE3 LYS 75 2HE LYS 75 -11.926 -3.416 -3.249 536 HZ1 LYS 75 3HZ LYS 75 -9.834 -4.979 -2.252 537 HZ2 LYS 75 1HZ LYS 75 -9.436 -4.553 -3.840 538 HZ3 LYS 75 2HZ LYS 75 -10.898 -5.341 -3.517 539 HA PRO 76 HA PRO 76 -3.054 -4.543 -2.735 540 HB2 PRO 76 1HB PRO 76 -3.395 -5.894 -0.405 541 HB3 PRO 76 2HB PRO 76 -2.736 -4.255 -0.478 542 HG2 PRO 76 1HG PRO 76 -5.520 -5.149 0.162 543 HG3 PRO 76 2HG PRO 76 -4.535 -3.904 0.952 544 HD2 PRO 76 1HD PRO 76 -6.473 -3.307 -0.842 545 HD3 PRO 76 2HD PRO 76 -5.001 -2.330 -0.665 546 H ASN 77 H ASN 77 -3.231 -6.109 -4.223 547 HA ASN 77 HA ASN 77 -5.427 -7.981 -4.203 548 HB2 ASN 77 1HB ASN 77 -4.669 -7.208 -6.350 549 HB3 ASN 77 2HB ASN 77 -3.012 -7.689 -5.997 550 HD21 ASN 77 1HD2 ASN 77 -5.936 -8.597 -7.372 551 HD22 ASN 77 2HD2 ASN 77 -5.584 -10.267 -7.639 552 H LEU 78 H LEU 78 -5.377 -9.538 -2.706 553 HA LEU 78 HA LEU 78 -2.837 -10.963 -2.265 554 HB2 LEU 78 1HB LEU 78 -5.146 -10.353 -0.464 555 HB3 LEU 78 2HB LEU 78 -4.104 -11.736 -0.135 556 HG LEU 78 HG LEU 78 -3.434 -9.838 1.208 557 HD11 LEU 78 1HD1 LEU 78 -1.714 -11.390 0.337 558 HD12 LEU 78 2HD1 LEU 78 -1.098 -9.766 0.642 559 HD13 LEU 78 3HD1 LEU 78 -1.441 -10.283 -1.009 560 HD21 LEU 78 3HD2 LEU 78 -3.541 -7.756 0.454 561 HD22 LEU 78 1HD2 LEU 78 -4.048 -8.365 -1.122 562 HD23 LEU 78 2HD2 LEU 78 -2.335 -8.116 -0.783 563 H HIS 79 H HIS 79 -3.213 -12.328 -4.082 564 HA HIS 79 HA HIS 79 -3.963 -14.191 -5.157 565 HB2 HIS 79 1HB HIS 79 -3.291 -14.986 -2.731 566 HB3 HIS 79 2HB HIS 79 -5.021 -15.279 -2.580 567 HD2 HIS 79 2HD HIS 79 -4.855 -18.035 -2.669 568 HE1 HIS 79 1HE HIS 79 -3.065 -18.288 -6.507 569 HE2 HIS 79 2HE HIS 79 -4.204 -19.559 -4.654 570 H VAL 80 H VAL 80 -5.769 -12.037 -5.139 571 HA VAL 80 HA VAL 80 -8.402 -12.868 -4.448 572 HB VAL 80 HB VAL 80 -7.503 -10.712 -6.364 573 HG11 VAL 80 1HG1 VAL 80 -10.114 -10.470 -5.056 574 HG12 VAL 80 2HG1 VAL 80 -9.642 -10.135 -6.723 575 HG13 VAL 80 3HG1 VAL 80 -9.999 -11.788 -6.222 576 HG21 VAL 80 3HG2 VAL 80 -8.603 -9.647 -3.999 577 HG22 VAL 80 1HG2 VAL 80 -7.452 -10.890 -3.511 578 HG23 VAL 80 2HG2 VAL 80 -6.930 -9.564 -4.550 579 H ALA 81 H ALA 81 -8.934 -14.813 -5.367 580 HA ALA 81 HA ALA 81 -8.646 -15.174 -8.243 581 HB1 ALA 81 3HB ALA 81 -8.245 -17.246 -7.523 582 HB2 ALA 81 1HB ALA 81 -8.945 -16.917 -5.937 583 HB3 ALA 81 2HB ALA 81 -9.987 -17.384 -7.283 584 H ASN 82 H ASN 82 -10.442 -15.809 -9.583 585 HA ASN 82 HA ASN 82 -12.774 -14.210 -9.082 586 HB2 ASN 82 1HB ASN 82 -12.358 -16.183 -11.332 587 HB3 ASN 82 2HB ASN 82 -13.459 -14.809 -11.301 588 HD21 ASN 82 1HD2 ASN 82 -12.779 -12.944 -12.103 589 HD22 ASN 82 2HD2 ASN 82 -11.145 -12.569 -12.522 590 H ILE 83 H ILE 83 -14.920 -15.471 -9.953 591 HA ILE 83 HA ILE 83 -15.481 -17.359 -7.843 592 HB ILE 83 HB ILE 83 -17.792 -17.329 -8.726 593 HG12 ILE 83 1HG1 ILE 83 -18.003 -15.266 -10.451 594 HG13 ILE 83 2HG1 ILE 83 -16.430 -15.892 -10.934 595 HG21 ILE 83 1HG2 ILE 83 -18.318 -15.134 -7.992 596 HG22 ILE 83 2HG2 ILE 83 -16.896 -15.648 -7.085 597 HG23 ILE 83 3HG2 ILE 83 -16.722 -14.531 -8.439 598 HD11 ILE 83 3HD1 ILE 83 -17.308 -17.913 -11.631 599 HD12 ILE 83 1HD1 ILE 83 -18.773 -17.724 -10.668 600 HD13 ILE 83 2HD1 ILE 83 -18.542 -16.752 -12.122 601 H VAL 84 H VAL 84 -13.599 -18.239 -9.844 602 HA VAL 84 HA VAL 84 -14.997 -20.153 -11.507 603 HB VAL 84 HB VAL 84 -12.773 -20.834 -12.273 604 HG11 VAL 84 1HG1 VAL 84 -14.013 -18.395 -12.704 605 HG12 VAL 84 2HG1 VAL 84 -12.323 -17.974 -12.421 606 HG13 VAL 84 3HG1 VAL 84 -12.746 -19.119 -13.695 607 HG21 VAL 84 3HG2 VAL 84 -11.434 -18.694 -10.716 608 HG22 VAL 84 1HG2 VAL 84 -11.836 -20.187 -9.868 609 HG23 VAL 84 2HG2 VAL 84 -10.805 -20.236 -11.298 610 H GLU 85 H GLU 85 -13.495 -20.066 -8.404 611 HA GLU 85 HA GLU 85 -12.702 -22.692 -8.028 612 HB2 GLU 85 1HB GLU 85 -12.599 -20.600 -6.451 613 HB3 GLU 85 2HB GLU 85 -14.120 -21.228 -5.834 614 HG2 GLU 85 1HG GLU 85 -11.610 -22.870 -5.989 615 HG3 GLU 85 2HG GLU 85 -12.055 -21.910 -4.579 Start of MODEL 11 1 H1 GLY 1 H GLY 1 14.528 -0.438 -43.134 2 HA2 GLY 1 1HA GLY 1 14.445 -3.306 -43.499 3 HA3 GLY 1 2HA GLY 1 15.907 -2.545 -44.110 4 H SER 2 H SER 2 16.383 -4.331 -42.266 5 HA SER 2 HA SER 2 17.605 -2.891 -40.168 6 HB2 SER 2 1HB SER 2 14.945 -4.119 -39.617 7 HB3 SER 2 2HB SER 2 16.191 -4.273 -38.378 8 HG SER 2 HG SER 2 14.650 -2.229 -38.744 9 H SER 3 H SER 3 18.305 -4.563 -38.357 10 HA SER 3 HA SER 3 18.682 -7.253 -39.347 11 HB2 SER 3 1HB SER 3 20.870 -5.218 -39.361 12 HB3 SER 3 2HB SER 3 21.271 -6.877 -38.920 13 HG SER 3 HG SER 3 19.739 -6.993 -41.064 14 H GLY 4 H GLY 4 20.342 -8.397 -37.760 15 HA2 GLY 4 1HA GLY 4 20.585 -7.430 -35.119 16 HA3 GLY 4 2HA GLY 4 19.149 -8.435 -35.234 17 H SER 5 H SER 5 20.525 -9.603 -33.565 18 HA SER 5 HA SER 5 21.980 -11.729 -34.954 19 HB2 SER 5 1HB SER 5 23.502 -9.888 -33.861 20 HB3 SER 5 2HB SER 5 23.087 -10.714 -32.359 21 HG SER 5 HG SER 5 24.769 -11.484 -34.366 22 H SER 6 H SER 6 22.522 -13.523 -33.255 23 HA SER 6 HA SER 6 20.373 -13.779 -31.282 24 HB2 SER 6 1HB SER 6 20.978 -15.793 -33.457 25 HB3 SER 6 2HB SER 6 19.957 -16.125 -32.059 26 HG SER 6 HG SER 6 18.562 -14.478 -32.761 27 H GLY 7 H GLY 7 20.726 -15.971 -30.050 28 HA2 GLY 7 1HA GLY 7 23.589 -16.525 -29.721 29 HA3 GLY 7 2HA GLY 7 22.685 -15.957 -28.325 30 H MET 8 H MET 8 22.432 -17.627 -26.994 31 HA MET 8 HA MET 8 21.089 -20.008 -28.002 32 HB2 MET 8 1HB MET 8 23.697 -20.116 -26.478 33 HB3 MET 8 2HB MET 8 22.678 -21.506 -26.823 34 HG2 MET 8 1HG MET 8 23.184 -21.489 -29.073 35 HG3 MET 8 2HG MET 8 23.663 -19.794 -29.057 36 HE1 MET 8 3HE MET 8 24.795 -22.593 -30.155 37 HE2 MET 8 1HE MET 8 25.986 -21.380 -30.626 38 HE3 MET 8 2HE MET 8 26.493 -22.810 -29.726 39 H ALA 9 H ALA 9 20.074 -21.266 -26.347 40 HA ALA 9 HA ALA 9 20.176 -20.612 -23.603 41 HB1 ALA 9 3HB ALA 9 18.976 -18.595 -24.747 42 HB2 ALA 9 1HB ALA 9 17.589 -19.685 -24.767 43 HB3 ALA 9 2HB ALA 9 18.352 -19.257 -23.235 44 H SER 10 H SER 10 18.210 -21.574 -22.419 45 HA SER 10 HA SER 10 17.242 -23.942 -23.881 46 HB2 SER 10 1HB SER 10 17.515 -25.278 -21.855 47 HB3 SER 10 2HB SER 10 19.056 -24.549 -22.306 48 HG SER 10 HG SER 10 17.305 -23.346 -20.439 49 H SER 11 H SER 11 15.165 -24.633 -23.440 50 HA SER 11 HA SER 11 13.580 -23.471 -21.352 51 HB2 SER 11 1HB SER 11 13.722 -21.732 -23.286 52 HB3 SER 11 2HB SER 11 12.615 -22.820 -24.123 53 HG SER 11 HG SER 11 11.792 -21.010 -22.651 54 H VAL 12 H VAL 12 11.163 -24.091 -21.759 55 HA VAL 12 HA VAL 12 11.136 -26.836 -22.833 56 HB VAL 12 HB VAL 12 9.359 -27.343 -21.220 57 HG11 VAL 12 1HG1 VAL 12 12.067 -26.500 -20.419 58 HG12 VAL 12 2HG1 VAL 12 10.912 -26.739 -19.106 59 HG13 VAL 12 3HG1 VAL 12 11.257 -28.055 -20.229 60 HG21 VAL 12 3HG2 VAL 12 9.840 -24.889 -19.650 61 HG22 VAL 12 1HG2 VAL 12 8.874 -24.705 -21.114 62 HG23 VAL 12 2HG2 VAL 12 8.366 -25.833 -19.858 63 H LEU 13 H LEU 13 8.876 -27.581 -23.432 64 HA LEU 13 HA LEU 13 7.648 -25.502 -25.090 65 HB2 LEU 13 1HB LEU 13 7.838 -28.464 -25.227 66 HB3 LEU 13 2HB LEU 13 6.420 -27.695 -25.938 67 HG LEU 13 HG LEU 13 9.141 -26.734 -26.707 68 HD11 LEU 13 1HD1 LEU 13 8.206 -28.688 -28.568 69 HD12 LEU 13 2HD1 LEU 13 8.359 -29.426 -26.973 70 HD13 LEU 13 3HD1 LEU 13 9.744 -28.617 -27.706 71 HD21 LEU 13 3HD2 LEU 13 6.374 -26.562 -27.685 72 HD22 LEU 13 1HD2 LEU 13 7.601 -26.797 -28.929 73 HD23 LEU 13 2HD2 LEU 13 7.709 -25.418 -27.836 74 H GLU 14 H GLU 14 6.592 -24.565 -23.197 75 HA GLU 14 HA GLU 14 3.979 -25.781 -22.788 76 HB2 GLU 14 1HB GLU 14 6.022 -25.403 -20.658 77 HB3 GLU 14 2HB GLU 14 4.352 -25.031 -20.255 78 HG2 GLU 14 1HG GLU 14 5.217 -27.650 -21.446 79 HG3 GLU 14 2HG GLU 14 5.113 -27.356 -19.711 80 H MET 15 H MET 15 2.360 -24.312 -22.537 81 HA MET 15 HA MET 15 2.782 -21.662 -23.341 82 HB2 MET 15 1HB MET 15 0.431 -21.291 -22.726 83 HB3 MET 15 2HB MET 15 0.637 -22.783 -23.634 84 HG2 MET 15 1HG MET 15 0.304 -24.115 -21.741 85 HG3 MET 15 2HG MET 15 0.554 -22.762 -20.640 86 HE1 MET 15 3HE MET 15 -1.727 -24.684 -20.165 87 HE2 MET 15 1HE MET 15 -3.307 -24.303 -20.849 88 HE3 MET 15 2HE MET 15 -2.079 -25.079 -21.848 89 H ILE 16 H ILE 16 3.195 -19.817 -22.273 90 HA ILE 16 HA ILE 16 3.593 -20.001 -19.373 91 HB ILE 16 HB ILE 16 4.556 -17.861 -21.275 92 HG12 ILE 16 1HG1 ILE 16 6.325 -19.895 -19.961 93 HG13 ILE 16 2HG1 ILE 16 5.472 -20.310 -21.444 94 HG21 ILE 16 1HG2 ILE 16 6.007 -18.152 -18.796 95 HG22 ILE 16 2HG2 ILE 16 5.260 -16.720 -19.501 96 HG23 ILE 16 3HG2 ILE 16 4.301 -17.815 -18.506 97 HD11 ILE 16 3HD1 ILE 16 7.887 -19.369 -21.542 98 HD12 ILE 16 1HD1 ILE 16 6.683 -18.827 -22.711 99 HD13 ILE 16 2HD1 ILE 16 7.090 -17.811 -21.327 100 H LYS 17 H LYS 17 2.640 -18.600 -17.941 101 HA LYS 17 HA LYS 17 0.169 -17.402 -18.789 102 HB2 LYS 17 1HB LYS 17 1.575 -17.571 -16.126 103 HB3 LYS 17 2HB LYS 17 0.057 -16.709 -16.341 104 HG2 LYS 17 1HG LYS 17 -0.748 -18.719 -15.663 105 HG3 LYS 17 2HG LYS 17 -0.686 -19.013 -17.402 106 HD2 LYS 17 1HD LYS 17 0.341 -20.905 -16.563 107 HD3 LYS 17 2HD LYS 17 1.725 -19.860 -16.897 108 HE2 LYS 17 1HE LYS 17 0.402 -19.903 -14.203 109 HE3 LYS 17 2HE LYS 17 1.641 -21.080 -14.638 110 HZ1 LYS 17 3HZ LYS 17 3.015 -19.517 -13.837 111 HZ2 LYS 17 1HZ LYS 17 1.899 -18.260 -14.033 112 HZ3 LYS 17 2HZ LYS 17 2.816 -18.790 -15.352 113 H GLU 18 H GLU 18 1.946 -16.092 -20.238 114 HA GLU 18 HA GLU 18 2.949 -13.732 -18.944 115 HB2 GLU 18 1HB GLU 18 2.711 -14.467 -21.866 116 HB3 GLU 18 2HB GLU 18 3.503 -13.015 -21.271 117 HG2 GLU 18 1HG GLU 18 4.912 -14.690 -19.865 118 HG3 GLU 18 2HG GLU 18 4.365 -15.860 -21.064 119 H GLU 19 H GLU 19 0.284 -13.895 -18.369 120 HA GLU 19 HA GLU 19 -0.832 -11.666 -19.939 121 HB2 GLU 19 1HB GLU 19 -2.107 -14.215 -19.050 122 HB3 GLU 19 2HB GLU 19 -3.093 -12.760 -19.105 123 HG2 GLU 19 1HG GLU 19 -2.229 -12.497 -21.501 124 HG3 GLU 19 2HG GLU 19 -1.714 -14.177 -21.353 125 H VAL 20 H VAL 20 -0.756 -13.320 -16.812 126 HA VAL 20 HA VAL 20 -1.990 -11.056 -15.476 127 HB VAL 20 HB VAL 20 -1.757 -12.393 -13.423 128 HG11 VAL 20 1HG1 VAL 20 -2.938 -13.869 -15.774 129 HG12 VAL 20 2HG1 VAL 20 -3.267 -14.237 -14.079 130 HG13 VAL 20 3HG1 VAL 20 -3.751 -12.681 -14.755 131 HG21 VAL 20 3HG2 VAL 20 -0.368 -14.346 -15.251 132 HG22 VAL 20 1HG2 VAL 20 0.295 -13.549 -13.824 133 HG23 VAL 20 2HG2 VAL 20 -0.976 -14.759 -13.648 134 H THR 21 H THR 21 1.166 -12.631 -15.669 135 HA THR 21 HA THR 21 2.588 -11.405 -13.697 136 HB THR 21 HB THR 21 3.651 -11.735 -16.506 137 HG1 THR 21 1HG THR 21 4.334 -13.846 -15.379 138 HG21 THR 21 3HG2 THR 21 5.642 -11.229 -15.643 139 HG22 THR 21 1HG2 THR 21 5.447 -12.442 -14.379 140 HG23 THR 21 2HG2 THR 21 4.838 -10.805 -14.133 141 H CYS 22 H CYS 22 3.599 -9.462 -13.356 142 HA CYS 22 HA CYS 22 2.480 -7.112 -14.074 143 HB2 CYS 22 1HB CYS 22 4.338 -7.469 -12.400 144 HB3 CYS 22 2HB CYS 22 5.468 -7.419 -13.749 145 HA PRO 23 HA PRO 23 3.260 -6.932 -18.470 146 HB2 PRO 23 1HB PRO 23 1.891 -4.623 -18.877 147 HB3 PRO 23 2HB PRO 23 1.095 -6.189 -18.674 148 HG2 PRO 23 1HG PRO 23 1.518 -4.004 -16.671 149 HG3 PRO 23 2HG PRO 23 0.073 -4.989 -16.964 150 HD2 PRO 23 1HD PRO 23 1.788 -5.487 -14.928 151 HD3 PRO 23 2HD PRO 23 0.893 -6.775 -15.760 152 H ILE 24 H ILE 24 4.616 -5.191 -16.032 153 HA ILE 24 HA ILE 24 5.934 -3.274 -17.829 154 HB ILE 24 HB ILE 24 5.800 -3.328 -14.813 155 HG12 ILE 24 1HG1 ILE 24 4.691 -1.262 -16.713 156 HG13 ILE 24 2HG1 ILE 24 3.743 -2.630 -16.140 157 HG21 ILE 24 1HG2 ILE 24 7.822 -2.270 -16.368 158 HG22 ILE 24 2HG2 ILE 24 6.780 -0.887 -16.037 159 HG23 ILE 24 3HG2 ILE 24 7.446 -1.829 -14.703 160 HD11 ILE 24 3HD1 ILE 24 4.949 -1.317 -13.912 161 HD12 ILE 24 1HD1 ILE 24 4.105 -0.135 -14.912 162 HD13 ILE 24 2HD1 ILE 24 3.241 -1.540 -14.287 163 H CYS 25 H CYS 25 6.833 -5.198 -14.958 164 HA CYS 25 HA CYS 25 9.555 -5.415 -15.967 165 HB2 CYS 25 1HB CYS 25 10.035 -6.457 -13.774 166 HB3 CYS 25 2HB CYS 25 9.277 -4.876 -13.612 167 H LEU 26 H LEU 26 6.680 -7.316 -15.679 168 HA LEU 26 HA LEU 26 6.133 -9.375 -16.481 169 HB2 LEU 26 1HB LEU 26 8.899 -9.462 -17.665 170 HB3 LEU 26 2HB LEU 26 7.498 -10.415 -18.150 171 HG LEU 26 HG LEU 26 7.562 -7.421 -18.417 172 HD11 LEU 26 1HD1 LEU 26 8.513 -7.531 -20.511 173 HD12 LEU 26 2HD1 LEU 26 8.149 -9.245 -20.705 174 HD13 LEU 26 3HD1 LEU 26 9.452 -8.737 -19.631 175 HD21 LEU 26 3HD2 LEU 26 5.392 -7.987 -18.761 176 HD22 LEU 26 1HD2 LEU 26 5.782 -9.636 -19.252 177 HD23 LEU 26 2HD2 LEU 26 6.000 -8.304 -20.387 178 H GLU 27 H GLU 27 7.027 -9.193 -13.882 179 HA GLU 27 HA GLU 27 8.231 -11.842 -13.531 180 HB2 GLU 27 1HB GLU 27 9.258 -9.250 -12.474 181 HB3 GLU 27 2HB GLU 27 9.376 -10.669 -11.443 182 HG2 GLU 27 1HG GLU 27 10.521 -11.823 -13.371 183 HG3 GLU 27 2HG GLU 27 10.609 -10.242 -14.146 184 H LEU 28 H LEU 28 7.852 -12.753 -11.381 185 HA LEU 28 HA LEU 28 5.332 -12.992 -10.578 186 HB2 LEU 28 1HB LEU 28 7.877 -13.043 -9.059 187 HB3 LEU 28 2HB LEU 28 6.381 -13.051 -8.128 188 HG LEU 28 HG LEU 28 7.265 -15.308 -8.473 189 HD11 LEU 28 1HD1 LEU 28 5.163 -16.005 -8.417 190 HD12 LEU 28 2HD1 LEU 28 4.972 -15.679 -10.139 191 HD13 LEU 28 3HD1 LEU 28 4.644 -14.409 -8.960 192 HD21 LEU 28 3HD2 LEU 28 8.402 -15.033 -10.574 193 HD22 LEU 28 1HD2 LEU 28 6.883 -14.672 -11.395 194 HD23 LEU 28 2HD2 LEU 28 7.174 -16.288 -10.751 195 H LEU 29 H LEU 29 3.742 -11.811 -9.721 196 HA LEU 29 HA LEU 29 4.168 -9.019 -9.208 197 HB2 LEU 29 1HB LEU 29 1.737 -10.780 -8.983 198 HB3 LEU 29 2HB LEU 29 1.719 -9.047 -8.667 199 HG LEU 29 HG LEU 29 2.718 -9.988 -11.308 200 HD11 LEU 29 1HD1 LEU 29 0.348 -9.895 -12.137 201 HD12 LEU 29 2HD1 LEU 29 -0.166 -9.986 -10.453 202 HD13 LEU 29 3HD1 LEU 29 0.756 -11.310 -11.166 203 HD21 LEU 29 3HD2 LEU 29 2.247 -7.537 -10.137 204 HD22 LEU 29 1HD2 LEU 29 0.837 -7.777 -11.170 205 HD23 LEU 29 2HD2 LEU 29 2.458 -7.844 -11.862 206 H LYS 30 H LYS 30 4.920 -8.267 -7.351 207 HA LYS 30 HA LYS 30 4.400 -9.773 -4.883 208 HB2 LYS 30 1HB LYS 30 6.573 -7.922 -5.767 209 HB3 LYS 30 2HB LYS 30 6.214 -8.041 -4.049 210 HG2 LYS 30 1HG LYS 30 7.834 -9.631 -4.237 211 HG3 LYS 30 2HG LYS 30 6.398 -10.619 -4.520 212 HD2 LYS 30 1HD LYS 30 7.928 -11.227 -6.209 213 HD3 LYS 30 2HD LYS 30 6.755 -10.167 -6.994 214 HE2 LYS 30 1HE LYS 30 8.841 -9.427 -7.766 215 HE3 LYS 30 2HE LYS 30 8.397 -8.276 -6.507 216 HZ1 LYS 30 3HZ LYS 30 9.965 -9.110 -5.068 217 HZ2 LYS 30 1HZ LYS 30 10.765 -9.274 -6.550 218 HZ3 LYS 30 2HZ LYS 30 10.040 -10.620 -5.827 219 H GLU 31 H GLU 31 2.604 -9.084 -3.905 220 HA GLU 31 HA GLU 31 1.064 -7.725 -2.926 221 HB2 GLU 31 1HB GLU 31 3.506 -5.963 -2.790 222 HB3 GLU 31 2HB GLU 31 1.963 -5.487 -2.094 223 HG2 GLU 31 1HG GLU 31 2.991 -6.397 -0.273 224 HG3 GLU 31 2HG GLU 31 2.124 -7.801 -0.894 225 HA PRO 32 HA PRO 32 0.670 -5.407 -7.032 226 HB2 PRO 32 1HB PRO 32 -1.249 -6.990 -8.120 227 HB3 PRO 32 2HB PRO 32 0.480 -7.285 -8.343 228 HG2 PRO 32 1HG PRO 32 -1.433 -8.579 -6.439 229 HG3 PRO 32 2HG PRO 32 -0.166 -9.324 -7.430 230 HD2 PRO 32 1HD PRO 32 0.165 -8.803 -4.794 231 HD3 PRO 32 2HD PRO 32 1.506 -8.741 -5.955 232 H VAL 33 H VAL 33 -0.921 -3.912 -7.402 233 HA VAL 33 HA VAL 33 -3.252 -4.008 -5.599 234 HB VAL 33 HB VAL 33 -3.285 -1.551 -5.679 235 HG11 VAL 33 1HG1 VAL 33 -0.639 -2.717 -4.817 236 HG12 VAL 33 2HG1 VAL 33 -1.289 -1.160 -4.300 237 HG13 VAL 33 3HG1 VAL 33 -2.116 -2.654 -3.856 238 HG21 VAL 33 3HG2 VAL 33 -2.202 -0.447 -7.272 239 HG22 VAL 33 1HG2 VAL 33 -0.666 -0.997 -6.603 240 HG23 VAL 33 2HG2 VAL 33 -1.480 -1.952 -7.842 241 H SER 34 H SER 34 -5.180 -4.137 -6.531 242 HA SER 34 HA SER 34 -5.489 -4.211 -9.345 243 HB2 SER 34 1HB SER 34 -7.923 -4.371 -8.840 244 HB3 SER 34 2HB SER 34 -6.954 -5.512 -7.907 245 HG SER 34 HG SER 34 -7.038 -3.952 -6.176 246 H ALA 35 H ALA 35 -6.744 -2.824 -10.690 247 HA ALA 35 HA ALA 35 -7.102 -0.087 -9.676 248 HB1 ALA 35 3HB ALA 35 -5.887 -0.744 -12.355 249 HB2 ALA 35 1HB ALA 35 -6.126 0.859 -11.659 250 HB3 ALA 35 2HB ALA 35 -4.969 -0.256 -10.930 251 H ASP 36 H ASP 36 -8.354 1.255 -11.367 252 HA ASP 36 HA ASP 36 -10.896 0.182 -11.677 253 HB2 ASP 36 1HB ASP 36 -10.845 2.503 -11.742 254 HB3 ASP 36 2HB ASP 36 -9.490 2.544 -12.867 255 H CYS 37 H CYS 37 -8.232 0.374 -13.995 256 HA CYS 37 HA CYS 37 -9.785 -0.877 -16.087 257 HB2 CYS 37 1HB CYS 37 -7.622 -0.810 -17.348 258 HB3 CYS 37 2HB CYS 37 -8.164 0.762 -16.769 259 H ASN 38 H ASN 38 -9.582 -2.416 -13.704 260 HA ASN 38 HA ASN 38 -8.802 -4.421 -12.856 261 HB2 ASN 38 1HB ASN 38 -10.633 -4.983 -14.427 262 HB3 ASN 38 2HB ASN 38 -9.448 -5.183 -15.713 263 HD21 ASN 38 1HD2 ASN 38 -9.877 -7.320 -16.071 264 HD22 ASN 38 2HD2 ASN 38 -9.492 -8.566 -14.938 265 H HIS 39 H HIS 39 -6.587 -2.930 -13.474 266 HA HIS 39 HA HIS 39 -4.761 -4.970 -14.559 267 HB2 HIS 39 1HB HIS 39 -4.715 -1.984 -15.002 268 HB3 HIS 39 2HB HIS 39 -3.322 -3.015 -15.315 269 HD2 HIS 39 2HD HIS 39 -5.503 -5.384 -16.661 270 HE1 HIS 39 1HE HIS 39 -5.691 -2.394 -19.665 271 HE2 HIS 39 2HE HIS 39 -6.228 -4.781 -19.070 272 H SER 40 H SER 40 -3.548 -5.725 -12.965 273 HA SER 40 HA SER 40 -2.897 -3.977 -10.703 274 HB2 SER 40 1HB SER 40 -3.138 -6.929 -11.062 275 HB3 SER 40 2HB SER 40 -2.012 -6.335 -9.841 276 HG SER 40 HG SER 40 -3.659 -5.429 -8.741 277 H PHE 41 H PHE 41 -0.749 -3.882 -9.875 278 HA PHE 41 HA PHE 41 1.402 -4.893 -11.550 279 HB2 PHE 41 1HB PHE 41 1.485 -1.974 -10.884 280 HB3 PHE 41 2HB PHE 41 2.321 -2.849 -12.163 281 HD1 PHE 41 1HD PHE 41 -0.958 -1.515 -11.111 282 HD2 PHE 41 2HD PHE 41 1.384 -3.060 -14.311 283 HE1 PHE 41 1HE PHE 41 -2.696 -0.826 -12.711 284 HE2 PHE 41 2HE PHE 41 -0.349 -2.373 -15.916 285 HZ PHE 41 HZ PHE 41 -2.392 -1.254 -15.117 286 H CYS 42 H CYS 42 3.463 -4.843 -10.531 287 HA CYS 42 HA CYS 42 3.588 -5.579 -7.919 288 HB2 CYS 42 1HB CYS 42 5.745 -3.988 -9.321 289 HB3 CYS 42 2HB CYS 42 5.965 -5.096 -7.970 290 H ARG 43 H ARG 43 3.322 -4.635 -6.007 291 HA ARG 43 HA ARG 43 2.263 -2.257 -5.446 292 HB2 ARG 43 1HB ARG 43 3.224 -4.173 -3.882 293 HB3 ARG 43 2HB ARG 43 4.538 -3.022 -3.677 294 HG2 ARG 43 1HG ARG 43 1.754 -2.046 -3.336 295 HG3 ARG 43 2HG ARG 43 2.456 -3.051 -2.067 296 HD2 ARG 43 1HD ARG 43 3.639 -0.504 -3.168 297 HD3 ARG 43 2HD ARG 43 2.804 -0.671 -1.624 298 HE ARG 43 HE ARG 43 5.099 -2.396 -1.984 299 HH11 ARG 43 1HH1 ARG 43 3.895 0.646 -0.793 300 HH12 ARG 43 2HH1 ARG 43 5.213 0.887 0.305 301 HH21 ARG 43 1HH2 ARG 43 6.840 -2.090 -0.542 302 HH22 ARG 43 2HH2 ARG 43 6.888 -0.670 0.446 303 H ALA 44 H ALA 44 5.701 -2.779 -6.065 304 HA ALA 44 HA ALA 44 6.404 -0.031 -5.604 305 HB1 ALA 44 3HB ALA 44 8.616 -0.712 -6.503 306 HB2 ALA 44 1HB ALA 44 8.054 -1.719 -5.169 307 HB3 ALA 44 2HB ALA 44 7.949 -2.312 -6.827 308 H CYS 45 H CYS 45 6.527 -2.075 -8.531 309 HA CYS 45 HA CYS 45 7.111 -0.295 -10.455 310 HB2 CYS 45 1HB CYS 45 5.073 -2.510 -10.480 311 HB3 CYS 45 2HB CYS 45 5.412 -1.562 -11.924 312 H ILE 46 H ILE 46 3.737 -0.900 -9.461 313 HA ILE 46 HA ILE 46 2.459 1.035 -10.899 314 HB ILE 46 HB ILE 46 1.274 -0.562 -9.469 315 HG12 ILE 46 1HG1 ILE 46 -0.374 1.112 -8.450 316 HG13 ILE 46 2HG1 ILE 46 0.707 2.369 -9.040 317 HG21 ILE 46 1HG2 ILE 46 2.342 1.130 -7.218 318 HG22 ILE 46 2HG2 ILE 46 1.044 -0.049 -7.037 319 HG23 ILE 46 3HG2 ILE 46 2.655 -0.579 -7.519 320 HD11 ILE 46 3HD1 ILE 46 -0.974 0.447 -10.587 321 HD12 ILE 46 1HD1 ILE 46 -0.882 2.204 -10.707 322 HD13 ILE 46 2HD1 ILE 46 0.437 1.208 -11.323 323 H THR 47 H THR 47 4.238 1.450 -7.880 324 HA THR 47 HA THR 47 3.532 4.185 -7.513 325 HB THR 47 HB THR 47 5.960 2.769 -6.404 326 HG1 THR 47 1HG THR 47 4.638 1.742 -5.114 327 HG21 THR 47 3HG2 THR 47 4.385 5.042 -5.211 328 HG22 THR 47 1HG2 THR 47 5.798 5.291 -6.235 329 HG23 THR 47 2HG2 THR 47 5.958 4.427 -4.706 330 H LEU 48 H LEU 48 6.642 2.697 -8.446 331 HA LEU 48 HA LEU 48 8.056 4.949 -9.083 332 HB2 LEU 48 1HB LEU 48 8.596 2.359 -9.236 333 HB3 LEU 48 2HB LEU 48 8.278 2.644 -10.946 334 HG LEU 48 HG LEU 48 10.683 2.733 -10.325 335 HD11 LEU 48 1HD1 LEU 48 9.570 4.001 -12.251 336 HD12 LEU 48 2HD1 LEU 48 11.185 4.506 -11.755 337 HD13 LEU 48 3HD1 LEU 48 9.776 5.437 -11.248 338 HD21 LEU 48 3HD2 LEU 48 11.543 4.167 -8.804 339 HD22 LEU 48 1HD2 LEU 48 9.921 4.053 -8.120 340 HD23 LEU 48 2HD2 LEU 48 10.350 5.421 -9.147 341 H ASN 49 H ASN 49 6.113 3.044 -11.392 342 HA ASN 49 HA ASN 49 6.403 4.611 -13.628 343 HB2 ASN 49 1HB ASN 49 5.152 2.408 -13.410 344 HB3 ASN 49 2HB ASN 49 3.775 3.348 -12.845 345 HD21 ASN 49 1HD2 ASN 49 5.575 2.293 -15.536 346 HD22 ASN 49 2HD2 ASN 49 4.652 3.091 -16.760 347 H TYR 50 H TYR 50 3.840 4.921 -11.170 348 HA TYR 50 HA TYR 50 2.506 7.103 -12.198 349 HB2 TYR 50 1HB TYR 50 1.612 5.931 -10.304 350 HB3 TYR 50 2HB TYR 50 3.014 6.336 -9.320 351 HD1 TYR 50 2HD TYR 50 -0.047 7.676 -10.877 352 HD2 TYR 50 1HD TYR 50 3.179 8.449 -8.213 353 HE1 TYR 50 2HE TYR 50 -1.207 9.687 -10.066 354 HE2 TYR 50 1HE TYR 50 2.028 10.462 -7.393 355 HH TYR 50 HH TYR 50 -1.028 11.539 -8.819 356 H GLU 51 H GLU 51 5.147 7.185 -9.800 357 HA GLU 51 HA GLU 51 5.480 9.818 -9.365 358 HB2 GLU 51 1HB GLU 51 7.521 7.662 -9.800 359 HB3 GLU 51 2HB GLU 51 8.031 9.312 -9.474 360 HG2 GLU 51 1HG GLU 51 7.033 9.309 -7.342 361 HG3 GLU 51 2HG GLU 51 6.129 7.835 -7.685 362 H SER 52 H SER 52 6.467 8.105 -12.291 363 HA SER 52 HA SER 52 7.565 10.499 -13.487 364 HB2 SER 52 1HB SER 52 7.367 7.625 -14.240 365 HB3 SER 52 2HB SER 52 7.517 8.796 -15.550 366 HG SER 52 HG SER 52 9.503 7.855 -14.416 367 H ASN 53 H ASN 53 4.786 8.360 -14.080 368 HA ASN 53 HA ASN 53 3.698 10.191 -16.044 369 HB2 ASN 53 1HB ASN 53 2.549 7.635 -14.899 370 HB3 ASN 53 2HB ASN 53 1.892 8.532 -16.265 371 HD21 ASN 53 1HD2 ASN 53 4.646 6.681 -15.129 372 HD22 ASN 53 2HD2 ASN 53 5.212 6.210 -16.692 373 H ARG 54 H ARG 54 2.898 12.026 -15.206 374 HA ARG 54 HA ARG 54 0.684 11.796 -13.320 375 HB2 ARG 54 1HB ARG 54 3.215 13.334 -12.831 376 HB3 ARG 54 2HB ARG 54 1.695 13.885 -12.140 377 HG2 ARG 54 1HG ARG 54 1.438 11.810 -10.939 378 HG3 ARG 54 2HG ARG 54 2.884 11.154 -11.709 379 HD2 ARG 54 1HD ARG 54 3.541 11.866 -9.550 380 HD3 ARG 54 2HD ARG 54 4.159 13.069 -10.681 381 HE ARG 54 HE ARG 54 1.584 13.701 -9.546 382 HH11 ARG 54 1HH1 ARG 54 5.038 13.973 -9.211 383 HH12 ARG 54 2HH1 ARG 54 4.960 15.377 -8.197 384 HH21 ARG 54 1HH2 ARG 54 1.468 15.548 -8.212 385 HH22 ARG 54 2HH2 ARG 54 2.929 16.271 -7.629 386 H ASN 55 H ASN 55 -0.888 12.589 -14.582 387 HA ASN 55 HA ASN 55 -0.519 14.583 -16.554 388 HB2 ASN 55 1HB ASN 55 -2.732 14.267 -17.067 389 HB3 ASN 55 2HB ASN 55 -2.438 12.782 -16.168 390 HD21 ASN 55 1HD2 ASN 55 -4.467 15.347 -16.509 391 HD22 ASN 55 2HD2 ASN 55 -5.247 15.303 -14.968 392 H THR 56 H THR 56 -1.742 16.669 -16.576 393 HA THR 56 HA THR 56 -0.832 18.495 -14.807 394 HB THR 56 HB THR 56 -2.023 19.166 -16.816 395 HG1 THR 56 1HG THR 56 -1.924 20.648 -15.023 396 HG21 THR 56 3HG2 THR 56 -3.815 17.401 -16.589 397 HG22 THR 56 1HG2 THR 56 -4.382 18.996 -17.080 398 HG23 THR 56 2HG2 THR 56 -4.596 18.458 -15.414 399 H ASP 57 H ASP 57 -3.998 16.879 -14.532 400 HA ASP 57 HA ASP 57 -4.739 18.040 -12.089 401 HB2 ASP 57 1HB ASP 57 -5.534 15.302 -13.096 402 HB3 ASP 57 2HB ASP 57 -6.414 16.302 -11.944 403 H GLY 58 H GLY 58 -2.937 15.087 -12.819 404 HA2 GLY 58 1HA GLY 58 -1.124 14.764 -11.048 405 HA3 GLY 58 2HA GLY 58 -2.479 14.719 -9.929 406 H LYS 59 H LYS 59 -4.266 13.233 -11.562 407 HA LYS 59 HA LYS 59 -3.896 10.674 -10.802 408 HB2 LYS 59 1HB LYS 59 -5.048 11.532 -13.463 409 HB3 LYS 59 2HB LYS 59 -5.313 9.973 -12.693 410 HG2 LYS 59 1HG LYS 59 -6.116 12.614 -11.493 411 HG3 LYS 59 2HG LYS 59 -7.190 11.569 -12.425 412 HD2 LYS 59 1HD LYS 59 -6.651 9.744 -10.763 413 HD3 LYS 59 2HD LYS 59 -5.871 10.986 -9.781 414 HE2 LYS 59 1HE LYS 59 -8.733 11.127 -10.713 415 HE3 LYS 59 2HE LYS 59 -8.241 10.476 -9.150 416 HZ1 LYS 59 3HZ LYS 59 -8.835 13.068 -9.653 417 HZ2 LYS 59 1HZ LYS 59 -7.144 13.074 -9.703 418 HZ3 LYS 59 2HZ LYS 59 -7.947 12.511 -8.325 419 H GLY 60 H GLY 60 -3.282 8.705 -11.998 420 HA2 GLY 60 1HA GLY 60 -0.836 9.202 -13.571 421 HA3 GLY 60 2HA GLY 60 -1.114 7.784 -12.572 422 H ASN 61 H ASN 61 -0.358 7.907 -15.377 423 HA ASN 61 HA ASN 61 -2.752 6.857 -16.707 424 HB2 ASN 61 1HB ASN 61 -0.170 8.019 -17.668 425 HB3 ASN 61 2HB ASN 61 -1.027 6.888 -18.711 426 HD21 ASN 61 1HD2 ASN 61 -0.569 10.026 -18.202 427 HD22 ASN 61 2HD2 ASN 61 -2.086 10.664 -18.730 428 H CYS 62 H CYS 62 -2.885 4.789 -17.470 429 HA CYS 62 HA CYS 62 -1.099 2.863 -16.283 430 HB2 CYS 62 1HB CYS 62 -3.513 2.435 -16.363 431 HB3 CYS 62 2HB CYS 62 -3.471 2.480 -18.122 432 HA PRO 63 HA PRO 63 1.612 2.683 -19.794 433 HB2 PRO 63 1HB PRO 63 3.085 0.572 -18.932 434 HB3 PRO 63 2HB PRO 63 3.274 2.205 -18.282 435 HG2 PRO 63 1HG PRO 63 1.761 -0.119 -17.155 436 HG3 PRO 63 2HG PRO 63 2.814 1.039 -16.323 437 HD2 PRO 63 1HD PRO 63 0.114 1.227 -16.268 438 HD3 PRO 63 2HD PRO 63 1.171 2.652 -16.220 439 H VAL 64 H VAL 64 -0.934 0.753 -19.174 440 HA VAL 64 HA VAL 64 -0.256 -1.150 -21.322 441 HB VAL 64 HB VAL 64 -2.217 -1.492 -19.049 442 HG11 VAL 64 1HG1 VAL 64 -1.692 -3.892 -20.518 443 HG12 VAL 64 2HG1 VAL 64 -3.233 -3.087 -20.214 444 HG13 VAL 64 3HG1 VAL 64 -2.265 -2.639 -21.619 445 HG21 VAL 64 3HG2 VAL 64 0.502 -2.610 -19.632 446 HG22 VAL 64 1HG2 VAL 64 -0.105 -1.876 -18.148 447 HG23 VAL 64 2HG2 VAL 64 -0.643 -3.489 -18.618 448 H CYS 65 H CYS 65 -3.080 0.456 -19.842 449 HA CYS 65 HA CYS 65 -4.333 0.535 -22.500 450 HB2 CYS 65 1HB CYS 65 -6.452 0.894 -21.299 451 HB3 CYS 65 2HB CYS 65 -5.658 -0.591 -20.784 452 H ARG 66 H ARG 66 -2.933 2.475 -20.050 453 HA ARG 66 HA ARG 66 -2.504 4.707 -19.919 454 HB2 ARG 66 1HB ARG 66 -2.240 4.283 -22.489 455 HB3 ARG 66 2HB ARG 66 -3.758 5.164 -22.600 456 HG2 ARG 66 1HG ARG 66 -2.205 6.834 -22.894 457 HG3 ARG 66 2HG ARG 66 -2.538 6.945 -21.164 458 HD2 ARG 66 1HD ARG 66 -0.509 5.999 -20.581 459 HD3 ARG 66 2HD ARG 66 -0.315 5.205 -22.143 460 HE ARG 66 HE ARG 66 -0.159 7.768 -22.846 461 HH11 ARG 66 1HH1 ARG 66 1.347 6.031 -20.231 462 HH12 ARG 66 2HH1 ARG 66 2.756 7.039 -20.200 463 HH21 ARG 66 1HH2 ARG 66 1.692 9.102 -22.815 464 HH22 ARG 66 2HH2 ARG 66 2.950 8.786 -21.670 465 H VAL 67 H VAL 67 -4.828 3.773 -18.753 466 HA VAL 67 HA VAL 67 -6.841 5.830 -19.350 467 HB VAL 67 HB VAL 67 -7.062 3.230 -17.834 468 HG11 VAL 67 1HG1 VAL 67 -9.554 4.628 -18.342 469 HG12 VAL 67 2HG1 VAL 67 -8.952 3.895 -16.854 470 HG13 VAL 67 3HG1 VAL 67 -8.479 5.540 -17.282 471 HG21 VAL 67 3HG2 VAL 67 -7.088 3.441 -20.444 472 HG22 VAL 67 1HG2 VAL 67 -8.258 2.410 -19.621 473 HG23 VAL 67 2HG2 VAL 67 -8.735 4.014 -20.178 474 HA PRO 68 HA PRO 68 -5.641 8.003 -15.690 475 HB2 PRO 68 1HB PRO 68 -7.813 9.623 -15.514 476 HB3 PRO 68 2HB PRO 68 -6.527 9.866 -16.703 477 HG2 PRO 68 1HG PRO 68 -9.203 8.568 -17.045 478 HG3 PRO 68 2HG PRO 68 -8.364 9.702 -18.119 479 HD2 PRO 68 1HD PRO 68 -8.400 7.030 -18.561 480 HD3 PRO 68 2HD PRO 68 -7.023 8.055 -19.016 481 H TYR 69 H TYR 69 -5.702 6.756 -13.896 482 HA TYR 69 HA TYR 69 -8.346 6.189 -12.724 483 HB2 TYR 69 1HB TYR 69 -7.322 4.219 -11.649 484 HB3 TYR 69 2HB TYR 69 -7.235 4.127 -13.404 485 HD1 TYR 69 1HD TYR 69 -5.309 4.551 -10.314 486 HD2 TYR 69 2HD TYR 69 -5.106 4.262 -14.554 487 HE1 TYR 69 1HE TYR 69 -2.879 4.197 -10.168 488 HE2 TYR 69 2HE TYR 69 -2.676 3.905 -14.419 489 HH TYR 69 HH TYR 69 -0.876 3.983 -13.068 490 HA PRO 70 HA PRO 70 -7.187 8.558 -9.210 491 HB2 PRO 70 1HB PRO 70 -8.650 7.317 -7.290 492 HB3 PRO 70 2HB PRO 70 -9.370 8.356 -8.525 493 HG2 PRO 70 1HG PRO 70 -9.201 5.369 -8.426 494 HG3 PRO 70 2HG PRO 70 -10.568 6.397 -8.894 495 HD2 PRO 70 1HD PRO 70 -8.967 5.185 -10.711 496 HD3 PRO 70 2HD PRO 70 -9.733 6.757 -11.012 497 H PHE 71 H PHE 71 -5.438 8.545 -7.949 498 HA PHE 71 HA PHE 71 -3.890 6.215 -7.543 499 HB2 PHE 71 1HB PHE 71 -3.011 8.570 -7.659 500 HB3 PHE 71 2HB PHE 71 -3.652 8.825 -6.039 501 HD1 PHE 71 1HD PHE 71 -1.631 6.195 -7.757 502 HD2 PHE 71 2HD PHE 71 -2.073 8.759 -4.389 503 HE1 PHE 71 1HE PHE 71 0.447 5.289 -6.799 504 HE2 PHE 71 2HE PHE 71 0.004 7.858 -3.426 505 HZ PHE 71 HZ PHE 71 1.267 6.121 -4.631 506 H GLY 72 H GLY 72 -5.721 8.229 -5.235 507 HA2 GLY 72 1HA GLY 72 -5.326 6.387 -3.076 508 HA3 GLY 72 2HA GLY 72 -6.396 7.781 -3.074 509 H ASN 73 H ASN 73 -6.336 4.889 -5.142 510 HA ASN 73 HA ASN 73 -8.959 4.133 -4.060 511 HB2 ASN 73 1HB ASN 73 -9.403 5.350 -6.123 512 HB3 ASN 73 2HB ASN 73 -8.258 4.337 -6.997 513 HD21 ASN 73 1HD2 ASN 73 -8.778 2.134 -7.341 514 HD22 ASN 73 2HD2 ASN 73 -10.422 1.604 -7.333 515 H LEU 74 H LEU 74 -6.196 3.169 -6.062 516 HA LEU 74 HA LEU 74 -6.485 0.572 -6.538 517 HB2 LEU 74 1HB LEU 74 -4.044 1.669 -5.154 518 HB3 LEU 74 2HB LEU 74 -4.118 0.223 -6.158 519 HG LEU 74 HG LEU 74 -4.766 2.935 -7.272 520 HD11 LEU 74 1HD1 LEU 74 -2.337 2.394 -6.143 521 HD12 LEU 74 2HD1 LEU 74 -2.625 3.548 -7.446 522 HD13 LEU 74 3HD1 LEU 74 -2.087 1.911 -7.821 523 HD21 LEU 74 3HD2 LEU 74 -5.347 0.786 -8.472 524 HD22 LEU 74 1HD2 LEU 74 -3.612 0.507 -8.621 525 HD23 LEU 74 2HD2 LEU 74 -4.343 1.928 -9.367 526 H LYS 75 H LYS 75 -6.318 -1.413 -5.492 527 HA LYS 75 HA LYS 75 -6.317 -1.360 -2.554 528 HB2 LYS 75 1HB LYS 75 -8.298 -2.789 -4.332 529 HB3 LYS 75 2HB LYS 75 -8.113 -3.120 -2.614 530 HG2 LYS 75 1HG LYS 75 -8.813 -0.903 -2.046 531 HG3 LYS 75 2HG LYS 75 -8.815 -0.421 -3.744 532 HD2 LYS 75 1HD LYS 75 -11.060 -0.828 -3.339 533 HD3 LYS 75 2HD LYS 75 -10.518 -2.359 -4.030 534 HE2 LYS 75 1HE LYS 75 -10.105 -3.068 -1.591 535 HE3 LYS 75 2HE LYS 75 -11.119 -1.689 -1.168 536 HZ1 LYS 75 3HZ LYS 75 -12.970 -2.659 -2.055 537 HZ2 LYS 75 1HZ LYS 75 -12.150 -4.042 -1.529 538 HZ3 LYS 75 2HZ LYS 75 -12.104 -3.602 -3.161 539 HA PRO 76 HA PRO 76 -3.524 -4.738 -2.791 540 HB2 PRO 76 1HB PRO 76 -4.164 -6.112 -0.539 541 HB3 PRO 76 2HB PRO 76 -3.307 -4.566 -0.511 542 HG2 PRO 76 1HG PRO 76 -6.213 -5.130 -0.060 543 HG3 PRO 76 2HG PRO 76 -5.133 -4.042 0.832 544 HD2 PRO 76 1HD PRO 76 -6.874 -3.153 -1.041 545 HD3 PRO 76 2HD PRO 76 -5.308 -2.371 -0.746 546 H ASN 77 H ASN 77 -3.544 -6.509 -4.017 547 HA ASN 77 HA ASN 77 -5.995 -7.865 -4.628 548 HB2 ASN 77 1HB ASN 77 -4.268 -7.520 -6.341 549 HB3 ASN 77 2HB ASN 77 -3.149 -8.522 -5.421 550 HD21 ASN 77 1HD2 ASN 77 -5.282 -8.493 -7.925 551 HD22 ASN 77 2HD2 ASN 77 -5.608 -10.185 -8.042 552 H LEU 78 H LEU 78 -6.813 -9.628 -3.704 553 HA LEU 78 HA LEU 78 -5.047 -11.293 -2.038 554 HB2 LEU 78 1HB LEU 78 -7.817 -10.296 -1.422 555 HB3 LEU 78 2HB LEU 78 -7.075 -11.648 -0.569 556 HG LEU 78 HG LEU 78 -5.166 -9.830 -0.174 557 HD11 LEU 78 1HD1 LEU 78 -5.728 -7.722 -0.566 558 HD12 LEU 78 2HD1 LEU 78 -7.226 -7.903 0.346 559 HD13 LEU 78 3HD1 LEU 78 -7.187 -8.303 -1.371 560 HD21 LEU 78 3HD2 LEU 78 -6.686 -11.156 1.440 561 HD22 LEU 78 1HD2 LEU 78 -7.630 -9.668 1.519 562 HD23 LEU 78 2HD2 LEU 78 -5.935 -9.664 2.009 563 H HIS 79 H HIS 79 -8.362 -11.278 -3.364 564 HA HIS 79 HA HIS 79 -7.854 -13.982 -4.410 565 HB2 HIS 79 1HB HIS 79 -10.349 -14.387 -3.937 566 HB3 HIS 79 2HB HIS 79 -9.243 -14.424 -2.567 567 HD2 HIS 79 2HD HIS 79 -10.578 -13.279 -0.520 568 HE1 HIS 79 1HE HIS 79 -12.305 -10.045 -2.655 569 HE2 HIS 79 2HE HIS 79 -11.950 -11.091 -0.391 570 H VAL 80 H VAL 80 -8.481 -14.342 -6.467 571 HA VAL 80 HA VAL 80 -10.296 -12.445 -7.763 572 HB VAL 80 HB VAL 80 -7.564 -13.156 -8.840 573 HG11 VAL 80 1HG1 VAL 80 -8.943 -13.111 -10.725 574 HG12 VAL 80 2HG1 VAL 80 -9.924 -11.789 -10.090 575 HG13 VAL 80 3HG1 VAL 80 -8.278 -11.479 -10.645 576 HG21 VAL 80 3HG2 VAL 80 -7.250 -11.446 -7.276 577 HG22 VAL 80 1HG2 VAL 80 -7.379 -10.598 -8.817 578 HG23 VAL 80 2HG2 VAL 80 -8.756 -10.641 -7.715 579 H ALA 81 H ALA 81 -11.759 -13.462 -8.967 580 HA ALA 81 HA ALA 81 -11.096 -15.912 -10.372 581 HB1 ALA 81 3HB ALA 81 -13.054 -17.122 -9.403 582 HB2 ALA 81 1HB ALA 81 -11.733 -16.847 -8.268 583 HB3 ALA 81 2HB ALA 81 -13.180 -15.841 -8.198 584 H ASN 82 H ASN 82 -12.702 -16.528 -11.935 585 HA ASN 82 HA ASN 82 -13.960 -14.274 -13.153 586 HB2 ASN 82 1HB ASN 82 -12.937 -16.391 -14.267 587 HB3 ASN 82 2HB ASN 82 -14.510 -17.117 -13.951 588 HD21 ASN 82 1HD2 ASN 82 -15.340 -17.262 -15.939 589 HD22 ASN 82 2HD2 ASN 82 -15.593 -15.926 -17.004 590 H ILE 83 H ILE 83 -15.376 -13.670 -11.377 591 HA ILE 83 HA ILE 83 -17.285 -13.834 -10.068 592 HB ILE 83 HB ILE 83 -19.300 -13.725 -11.447 593 HG12 ILE 83 1HG1 ILE 83 -17.685 -14.143 -13.929 594 HG13 ILE 83 2HG1 ILE 83 -18.266 -15.552 -13.049 595 HG21 ILE 83 1HG2 ILE 83 -18.540 -11.880 -12.992 596 HG22 ILE 83 2HG2 ILE 83 -18.087 -11.699 -11.298 597 HG23 ILE 83 3HG2 ILE 83 -16.893 -12.243 -12.476 598 HD11 ILE 83 3HD1 ILE 83 -20.477 -13.884 -13.254 599 HD12 ILE 83 1HD1 ILE 83 -19.677 -13.779 -14.821 600 HD13 ILE 83 2HD1 ILE 83 -20.156 -15.350 -14.179 601 H VAL 84 H VAL 84 -16.100 -16.206 -9.700 602 HA VAL 84 HA VAL 84 -18.040 -18.308 -10.309 603 HB VAL 84 HB VAL 84 -15.295 -18.449 -9.057 604 HG11 VAL 84 1HG1 VAL 84 -15.583 -20.923 -9.351 605 HG12 VAL 84 2HG1 VAL 84 -16.589 -20.202 -8.093 606 HG13 VAL 84 3HG1 VAL 84 -17.294 -20.621 -9.655 607 HG21 VAL 84 3HG2 VAL 84 -14.564 -18.495 -11.154 608 HG22 VAL 84 1HG2 VAL 84 -15.489 -19.974 -11.416 609 HG23 VAL 84 2HG2 VAL 84 -16.216 -18.406 -11.766 610 H GLU 85 H GLU 85 -16.969 -16.301 -7.710 611 HA GLU 85 HA GLU 85 -18.640 -17.842 -5.835 612 HB2 GLU 85 1HB GLU 85 -16.339 -17.866 -5.107 613 HB3 GLU 85 2HB GLU 85 -16.217 -16.122 -5.292 614 HG2 GLU 85 1HG GLU 85 -18.130 -17.414 -3.373 615 HG3 GLU 85 2HG GLU 85 -16.472 -17.001 -2.939 Start of MODEL 12 1 H1 GLY 1 H GLY 1 36.897 -54.641 -27.326 2 HA2 GLY 1 1HA GLY 1 35.186 -54.924 -25.290 3 HA3 GLY 1 2HA GLY 1 36.474 -54.009 -24.520 4 H SER 2 H SER 2 34.263 -52.716 -24.379 5 HA SER 2 HA SER 2 34.609 -50.470 -26.150 6 HB2 SER 2 1HB SER 2 33.126 -51.921 -27.490 7 HB3 SER 2 2HB SER 2 31.971 -51.958 -26.157 8 HG SER 2 HG SER 2 32.749 -49.741 -27.737 9 H SER 3 H SER 3 33.343 -48.607 -25.492 10 HA SER 3 HA SER 3 31.890 -48.744 -22.997 11 HB2 SER 3 1HB SER 3 34.434 -48.589 -22.491 12 HB3 SER 3 2HB SER 3 34.279 -46.917 -23.031 13 HG SER 3 HG SER 3 33.285 -46.442 -21.239 14 H GLY 4 H GLY 4 30.954 -46.645 -22.394 15 HA2 GLY 4 1HA GLY 4 30.828 -44.245 -23.240 16 HA3 GLY 4 2HA GLY 4 30.520 -44.993 -24.800 17 H SER 5 H SER 5 28.769 -43.169 -23.600 18 HA SER 5 HA SER 5 26.370 -44.786 -23.523 19 HB2 SER 5 1HB SER 5 26.860 -44.845 -21.183 20 HB3 SER 5 2HB SER 5 27.252 -43.126 -21.156 21 HG SER 5 HG SER 5 24.863 -44.326 -20.849 22 H SER 6 H SER 6 24.595 -43.706 -24.253 23 HA SER 6 HA SER 6 24.447 -40.844 -24.321 24 HB2 SER 6 1HB SER 6 24.994 -42.368 -26.872 25 HB3 SER 6 2HB SER 6 24.306 -40.745 -26.849 26 HG SER 6 HG SER 6 26.281 -40.075 -26.695 27 H GLY 7 H GLY 7 22.447 -40.098 -25.454 28 HA2 GLY 7 1HA GLY 7 20.277 -40.547 -26.324 29 HA3 GLY 7 2HA GLY 7 20.419 -42.200 -25.744 30 H MET 8 H MET 8 20.414 -38.882 -24.434 31 HA MET 8 HA MET 8 18.377 -39.699 -22.511 32 HB2 MET 8 1HB MET 8 19.643 -38.571 -20.663 33 HB3 MET 8 2HB MET 8 20.369 -40.065 -21.239 34 HG2 MET 8 1HG MET 8 22.084 -38.929 -22.364 35 HG3 MET 8 2HG MET 8 21.243 -37.385 -22.253 36 HE1 MET 8 3HE MET 8 24.679 -37.562 -20.023 37 HE2 MET 8 1HE MET 8 24.273 -38.398 -21.522 38 HE3 MET 8 2HE MET 8 23.979 -36.665 -21.371 39 H ALA 9 H ALA 9 16.817 -38.226 -22.434 40 HA ALA 9 HA ALA 9 17.257 -35.437 -22.307 41 HB1 ALA 9 3HB ALA 9 17.109 -34.709 -24.412 42 HB2 ALA 9 1HB ALA 9 17.481 -36.368 -24.881 43 HB3 ALA 9 2HB ALA 9 15.803 -35.829 -24.801 44 H SER 10 H SER 10 15.393 -34.306 -21.789 45 HA SER 10 HA SER 10 12.884 -35.837 -21.745 46 HB2 SER 10 1HB SER 10 13.897 -35.945 -19.502 47 HB3 SER 10 2HB SER 10 13.968 -34.184 -19.450 48 HG SER 10 HG SER 10 11.936 -35.778 -18.801 49 H SER 11 H SER 11 11.104 -34.720 -22.317 50 HA SER 11 HA SER 11 11.407 -31.817 -22.731 51 HB2 SER 11 1HB SER 11 11.235 -33.325 -24.805 52 HB3 SER 11 2HB SER 11 9.553 -33.571 -24.337 53 HG SER 11 HG SER 11 10.442 -30.944 -24.410 54 H VAL 12 H VAL 12 10.358 -30.878 -21.089 55 HA VAL 12 HA VAL 12 7.509 -31.296 -20.843 56 HB VAL 12 HB VAL 12 8.406 -33.007 -19.312 57 HG11 VAL 12 1HG1 VAL 12 10.334 -31.112 -18.733 58 HG12 VAL 12 2HG1 VAL 12 9.345 -31.169 -17.272 59 HG13 VAL 12 3HG1 VAL 12 10.088 -32.643 -17.895 60 HG21 VAL 12 3HG2 VAL 12 7.374 -31.605 -17.169 61 HG22 VAL 12 1HG2 VAL 12 6.651 -30.813 -18.570 62 HG23 VAL 12 2HG2 VAL 12 6.449 -32.550 -18.337 63 H LEU 13 H LEU 13 6.443 -29.535 -20.000 64 HA LEU 13 HA LEU 13 7.805 -27.444 -18.595 65 HB2 LEU 13 1HB LEU 13 7.596 -25.709 -20.233 66 HB3 LEU 13 2HB LEU 13 8.535 -27.033 -20.917 67 HG LEU 13 HG LEU 13 6.198 -27.732 -21.915 68 HD11 LEU 13 1HD1 LEU 13 5.754 -24.817 -22.113 69 HD12 LEU 13 2HD1 LEU 13 5.314 -25.587 -20.589 70 HD13 LEU 13 3HD1 LEU 13 4.596 -26.147 -22.099 71 HD21 LEU 13 3HD2 LEU 13 8.076 -27.268 -23.301 72 HD22 LEU 13 1HD2 LEU 13 7.996 -25.544 -22.939 73 HD23 LEU 13 2HD2 LEU 13 6.730 -26.302 -23.906 74 H GLU 14 H GLU 14 6.387 -25.867 -17.760 75 HA GLU 14 HA GLU 14 3.561 -26.661 -17.885 76 HB2 GLU 14 1HB GLU 14 4.643 -26.716 -15.659 77 HB3 GLU 14 2HB GLU 14 4.987 -24.998 -15.801 78 HG2 GLU 14 1HG GLU 14 3.091 -24.930 -14.545 79 HG3 GLU 14 2HG GLU 14 2.395 -24.831 -16.162 80 H MET 15 H MET 15 2.288 -25.451 -19.107 81 HA MET 15 HA MET 15 2.867 -23.210 -20.502 82 HB2 MET 15 1HB MET 15 0.224 -23.936 -19.232 83 HB3 MET 15 2HB MET 15 0.413 -22.672 -20.440 84 HG2 MET 15 1HG MET 15 0.990 -25.601 -20.814 85 HG3 MET 15 2HG MET 15 -0.385 -24.709 -21.460 86 HE1 MET 15 3HE MET 15 -0.112 -23.085 -23.821 87 HE2 MET 15 1HE MET 15 0.410 -22.198 -22.388 88 HE3 MET 15 2HE MET 15 1.404 -22.182 -23.845 89 H ILE 16 H ILE 16 3.374 -21.169 -20.063 90 HA ILE 16 HA ILE 16 2.813 -20.144 -17.362 91 HB ILE 16 HB ILE 16 4.955 -19.318 -19.323 92 HG12 ILE 16 1HG1 ILE 16 5.166 -20.645 -16.612 93 HG13 ILE 16 2HG1 ILE 16 5.334 -21.476 -18.154 94 HG21 ILE 16 1HG2 ILE 16 4.435 -18.282 -16.540 95 HG22 ILE 16 2HG2 ILE 16 5.745 -17.795 -17.614 96 HG23 ILE 16 3HG2 ILE 16 4.074 -17.415 -18.033 97 HD11 ILE 16 3HD1 ILE 16 7.169 -19.553 -18.479 98 HD12 ILE 16 1HD1 ILE 16 7.222 -19.728 -16.726 99 HD13 ILE 16 2HD1 ILE 16 7.519 -21.125 -17.761 100 H LYS 17 H LYS 17 1.428 -18.518 -17.142 101 HA LYS 17 HA LYS 17 0.094 -17.394 -19.391 102 HB2 LYS 17 1HB LYS 17 -0.789 -17.782 -16.988 103 HB3 LYS 17 2HB LYS 17 -0.020 -16.245 -16.616 104 HG2 LYS 17 1HG LYS 17 -2.198 -15.637 -17.087 105 HG3 LYS 17 2HG LYS 17 -1.370 -15.340 -18.618 106 HD2 LYS 17 1HD LYS 17 -3.169 -16.501 -19.400 107 HD3 LYS 17 2HD LYS 17 -2.093 -17.858 -19.057 108 HE2 LYS 17 1HE LYS 17 -3.207 -18.370 -17.051 109 HE3 LYS 17 2HE LYS 17 -4.035 -16.814 -17.017 110 HZ1 LYS 17 3HZ LYS 17 -5.711 -18.072 -17.818 111 HZ2 LYS 17 1HZ LYS 17 -4.687 -19.233 -18.500 112 HZ3 LYS 17 2HZ LYS 17 -4.956 -17.768 -19.301 113 H GLU 18 H GLU 18 0.682 -15.722 -20.598 114 HA GLU 18 HA GLU 18 2.644 -13.821 -19.493 115 HB2 GLU 18 1HB GLU 18 2.233 -14.818 -22.308 116 HB3 GLU 18 2HB GLU 18 3.179 -13.381 -21.948 117 HG2 GLU 18 1HG GLU 18 4.755 -14.650 -20.682 118 HG3 GLU 18 2HG GLU 18 3.752 -16.095 -20.788 119 H GLU 19 H GLU 19 -0.073 -13.471 -18.983 120 HA GLU 19 HA GLU 19 -0.596 -11.027 -20.527 121 HB2 GLU 19 1HB GLU 19 -2.490 -13.283 -19.945 122 HB3 GLU 19 2HB GLU 19 -3.094 -11.649 -20.180 123 HG2 GLU 19 1HG GLU 19 -1.262 -12.827 -22.209 124 HG3 GLU 19 2HG GLU 19 -2.953 -13.320 -22.177 125 H VAL 20 H VAL 20 -1.271 -12.881 -17.588 126 HA VAL 20 HA VAL 20 -2.380 -10.645 -16.180 127 HB VAL 20 HB VAL 20 -2.233 -12.107 -14.183 128 HG11 VAL 20 1HG1 VAL 20 -3.366 -13.689 -16.468 129 HG12 VAL 20 2HG1 VAL 20 -3.975 -13.536 -14.819 130 HG13 VAL 20 3HG1 VAL 20 -4.097 -12.175 -15.935 131 HG21 VAL 20 3HG2 VAL 20 -0.135 -13.266 -14.951 132 HG22 VAL 20 1HG2 VAL 20 -1.387 -14.324 -14.301 133 HG23 VAL 20 2HG2 VAL 20 -1.147 -14.211 -16.044 134 H THR 21 H THR 21 0.782 -12.150 -16.431 135 HA THR 21 HA THR 21 2.127 -11.130 -14.278 136 HB THR 21 HB THR 21 3.261 -11.217 -17.078 137 HG1 THR 21 1HG THR 21 2.352 -13.229 -16.549 138 HG21 THR 21 3HG2 THR 21 4.773 -10.110 -15.603 139 HG22 THR 21 1HG2 THR 21 5.369 -11.756 -15.811 140 HG23 THR 21 2HG2 THR 21 4.512 -11.309 -14.336 141 H CYS 22 H CYS 22 3.453 -9.271 -13.947 142 HA CYS 22 HA CYS 22 2.234 -6.834 -14.407 143 HB2 CYS 22 1HB CYS 22 4.073 -7.404 -12.730 144 HB3 CYS 22 2HB CYS 22 5.213 -7.139 -14.045 145 HA PRO 23 HA PRO 23 3.145 -6.242 -18.730 146 HB2 PRO 23 1HB PRO 23 1.921 -3.828 -18.935 147 HB3 PRO 23 2HB PRO 23 1.032 -5.356 -18.896 148 HG2 PRO 23 1HG PRO 23 1.536 -3.401 -16.686 149 HG3 PRO 23 2HG PRO 23 0.044 -4.266 -17.096 150 HD2 PRO 23 1HD PRO 23 1.682 -5.057 -15.090 151 HD3 PRO 23 2HD PRO 23 0.733 -6.205 -16.057 152 H ILE 24 H ILE 24 4.594 -4.887 -16.136 153 HA ILE 24 HA ILE 24 6.060 -2.888 -17.724 154 HB ILE 24 HB ILE 24 5.843 -3.156 -14.723 155 HG12 ILE 24 1HG1 ILE 24 4.925 -0.775 -16.280 156 HG13 ILE 24 2HG1 ILE 24 3.908 -2.212 -16.263 157 HG21 ILE 24 1HG2 ILE 24 6.910 -0.654 -15.616 158 HG22 ILE 24 2HG2 ILE 24 7.619 -1.842 -14.523 159 HG23 ILE 24 3HG2 ILE 24 7.878 -1.979 -16.262 160 HD11 ILE 24 3HD1 ILE 24 3.201 -0.679 -14.552 161 HD12 ILE 24 1HD1 ILE 24 3.878 -2.126 -13.806 162 HD13 ILE 24 2HD1 ILE 24 4.826 -0.640 -13.869 163 H CYS 25 H CYS 25 6.780 -4.987 -14.929 164 HA CYS 25 HA CYS 25 9.499 -5.334 -15.886 165 HB2 CYS 25 1HB CYS 25 9.794 -6.605 -13.748 166 HB3 CYS 25 2HB CYS 25 9.253 -4.944 -13.527 167 H LEU 26 H LEU 26 6.507 -7.005 -15.965 168 HA LEU 26 HA LEU 26 5.867 -8.996 -16.856 169 HB2 LEU 26 1HB LEU 26 8.645 -8.900 -18.018 170 HB3 LEU 26 2HB LEU 26 7.422 -10.089 -18.461 171 HG LEU 26 HG LEU 26 7.095 -7.117 -18.852 172 HD11 LEU 26 1HD1 LEU 26 8.994 -8.227 -20.149 173 HD12 LEU 26 2HD1 LEU 26 7.782 -7.345 -21.076 174 HD13 LEU 26 3HD1 LEU 26 7.729 -9.106 -21.007 175 HD21 LEU 26 3HD2 LEU 26 5.552 -9.525 -19.801 176 HD22 LEU 26 1HD2 LEU 26 5.330 -7.896 -20.440 177 HD23 LEU 26 2HD2 LEU 26 4.987 -8.231 -18.743 178 H GLU 27 H GLU 27 6.765 -9.028 -14.226 179 HA GLU 27 HA GLU 27 7.766 -11.777 -14.048 180 HB2 GLU 27 1HB GLU 27 8.793 -9.471 -12.384 181 HB3 GLU 27 2HB GLU 27 9.213 -11.162 -12.148 182 HG2 GLU 27 1HG GLU 27 10.573 -11.229 -13.977 183 HG3 GLU 27 2HG GLU 27 9.689 -9.958 -14.819 184 H LEU 28 H LEU 28 7.412 -12.709 -11.843 185 HA LEU 28 HA LEU 28 4.827 -12.829 -11.100 186 HB2 LEU 28 1HB LEU 28 7.078 -13.929 -10.149 187 HB3 LEU 28 2HB LEU 28 6.721 -12.818 -8.828 188 HG LEU 28 HG LEU 28 5.004 -15.083 -9.830 189 HD11 LEU 28 1HD1 LEU 28 5.622 -16.230 -7.982 190 HD12 LEU 28 2HD1 LEU 28 5.798 -14.777 -7.000 191 HD13 LEU 28 3HD1 LEU 28 7.068 -15.232 -8.136 192 HD21 LEU 28 3HD2 LEU 28 3.876 -12.827 -9.096 193 HD22 LEU 28 1HD2 LEU 28 4.264 -13.412 -7.478 194 HD23 LEU 28 2HD2 LEU 28 3.243 -14.378 -8.544 195 H LEU 29 H LEU 29 3.385 -11.373 -10.486 196 HA LEU 29 HA LEU 29 4.072 -8.759 -9.642 197 HB2 LEU 29 1HB LEU 29 1.460 -10.257 -9.566 198 HB3 LEU 29 2HB LEU 29 1.628 -8.549 -9.164 199 HG LEU 29 HG LEU 29 2.591 -9.448 -11.828 200 HD11 LEU 29 1HD1 LEU 29 0.459 -10.598 -11.641 201 HD12 LEU 29 2HD1 LEU 29 0.340 -9.247 -12.767 202 HD13 LEU 29 3HD1 LEU 29 -0.324 -9.099 -11.140 203 HD21 LEU 29 3HD2 LEU 29 1.152 -7.002 -10.807 204 HD22 LEU 29 1HD2 LEU 29 1.705 -7.243 -12.464 205 HD23 LEU 29 2HD2 LEU 29 2.877 -7.138 -11.150 206 H LYS 30 H LYS 30 4.911 -8.273 -7.731 207 HA LYS 30 HA LYS 30 4.319 -9.924 -5.403 208 HB2 LYS 30 1HB LYS 30 6.290 -7.693 -5.896 209 HB3 LYS 30 2HB LYS 30 6.046 -8.414 -4.311 210 HG2 LYS 30 1HG LYS 30 6.951 -10.449 -4.954 211 HG3 LYS 30 2HG LYS 30 6.707 -10.126 -6.672 212 HD2 LYS 30 1HD LYS 30 8.523 -8.347 -5.114 213 HD3 LYS 30 2HD LYS 30 9.097 -9.949 -5.586 214 HE2 LYS 30 1HE LYS 30 9.774 -8.561 -7.338 215 HE3 LYS 30 2HE LYS 30 8.305 -9.327 -7.942 216 HZ1 LYS 30 3HZ LYS 30 8.132 -6.728 -6.576 217 HZ2 LYS 30 1HZ LYS 30 7.110 -7.391 -7.750 218 HZ3 LYS 30 2HZ LYS 30 8.626 -6.786 -8.193 219 H GLU 31 H GLU 31 2.694 -9.430 -4.099 220 HA GLU 31 HA GLU 31 0.925 -8.256 -3.222 221 HB2 GLU 31 1HB GLU 31 3.390 -6.677 -2.568 222 HB3 GLU 31 2HB GLU 31 1.813 -6.112 -2.034 223 HG2 GLU 31 1HG GLU 31 1.459 -8.230 -0.857 224 HG3 GLU 31 2HG GLU 31 3.055 -8.773 -1.374 225 HA PRO 32 HA PRO 32 0.806 -5.251 -6.876 226 HB2 PRO 32 1HB PRO 32 -1.006 -6.616 -8.367 227 HB3 PRO 32 2HB PRO 32 0.738 -6.867 -8.508 228 HG2 PRO 32 1HG PRO 32 -1.294 -8.478 -7.011 229 HG3 PRO 32 2HG PRO 32 0.054 -9.035 -8.020 230 HD2 PRO 32 1HD PRO 32 0.181 -8.989 -5.316 231 HD3 PRO 32 2HD PRO 32 1.604 -8.722 -6.344 232 H VAL 33 H VAL 33 -0.882 -3.806 -7.284 233 HA VAL 33 HA VAL 33 -3.253 -4.142 -5.563 234 HB VAL 33 HB VAL 33 -3.380 -1.711 -5.387 235 HG11 VAL 33 1HG1 VAL 33 -0.887 -3.124 -4.557 236 HG12 VAL 33 2HG1 VAL 33 -1.054 -1.397 -4.232 237 HG13 VAL 33 3HG1 VAL 33 -2.228 -2.537 -3.574 238 HG21 VAL 33 3HG2 VAL 33 -1.061 -0.607 -6.169 239 HG22 VAL 33 1HG2 VAL 33 -1.228 -1.855 -7.404 240 HG23 VAL 33 2HG2 VAL 33 -2.501 -0.654 -7.185 241 H SER 34 H SER 34 -5.107 -4.366 -6.610 242 HA SER 34 HA SER 34 -5.302 -4.052 -9.433 243 HB2 SER 34 1HB SER 34 -7.536 -4.430 -7.425 244 HB3 SER 34 2HB SER 34 -7.625 -4.725 -9.161 245 HG SER 34 HG SER 34 -5.584 -6.117 -8.305 246 H ALA 35 H ALA 35 -6.465 -2.553 -10.635 247 HA ALA 35 HA ALA 35 -7.160 -0.071 -9.204 248 HB1 ALA 35 3HB ALA 35 -5.133 -0.032 -10.745 249 HB2 ALA 35 1HB ALA 35 -6.283 -0.177 -12.075 250 HB3 ALA 35 2HB ALA 35 -6.354 1.216 -10.995 251 H ASP 36 H ASP 36 -8.743 1.313 -10.444 252 HA ASP 36 HA ASP 36 -11.185 0.100 -10.692 253 HB2 ASP 36 1HB ASP 36 -10.846 2.545 -10.554 254 HB3 ASP 36 2HB ASP 36 -10.265 2.545 -12.218 255 H CYS 37 H CYS 37 -8.680 0.414 -13.116 256 HA CYS 37 HA CYS 37 -10.390 -0.662 -15.207 257 HB2 CYS 37 1HB CYS 37 -8.267 -0.477 -16.585 258 HB3 CYS 37 2HB CYS 37 -8.909 1.038 -15.958 259 H ASN 38 H ASN 38 -9.999 -2.370 -12.988 260 HA ASN 38 HA ASN 38 -9.179 -4.426 -12.355 261 HB2 ASN 38 1HB ASN 38 -10.249 -4.610 -15.123 262 HB3 ASN 38 2HB ASN 38 -9.378 -6.012 -14.509 263 HD21 ASN 38 1HD2 ASN 38 -10.044 -6.362 -12.039 264 HD22 ASN 38 2HD2 ASN 38 -11.752 -6.500 -11.813 265 H HIS 39 H HIS 39 -7.090 -2.604 -13.172 266 HA HIS 39 HA HIS 39 -5.144 -4.500 -14.312 267 HB2 HIS 39 1HB HIS 39 -5.227 -1.482 -14.410 268 HB3 HIS 39 2HB HIS 39 -3.813 -2.424 -14.876 269 HD2 HIS 39 2HD HIS 39 -6.498 -4.493 -16.245 270 HE1 HIS 39 1HE HIS 39 -5.918 -1.514 -19.210 271 HE2 HIS 39 2HE HIS 39 -7.013 -3.714 -18.657 272 H SER 40 H SER 40 -3.757 -5.305 -12.897 273 HA SER 40 HA SER 40 -3.110 -3.719 -10.499 274 HB2 SER 40 1HB SER 40 -2.535 -5.949 -9.464 275 HB3 SER 40 2HB SER 40 -4.242 -5.732 -9.849 276 HG SER 40 HG SER 40 -2.310 -7.302 -11.171 277 H PHE 41 H PHE 41 -0.989 -3.490 -9.868 278 HA PHE 41 HA PHE 41 1.088 -4.713 -11.529 279 HB2 PHE 41 1HB PHE 41 1.238 -1.784 -10.867 280 HB3 PHE 41 2HB PHE 41 2.145 -2.687 -12.075 281 HD1 PHE 41 1HD PHE 41 -1.096 -1.159 -11.272 282 HD2 PHE 41 2HD PHE 41 1.254 -3.086 -14.252 283 HE1 PHE 41 1HE PHE 41 -2.728 -0.488 -12.987 284 HE2 PHE 41 2HE PHE 41 -0.373 -2.417 -15.972 285 HZ PHE 41 HZ PHE 41 -2.366 -1.116 -15.341 286 H CYS 42 H CYS 42 3.253 -4.524 -10.581 287 HA CYS 42 HA CYS 42 3.394 -5.372 -7.970 288 HB2 CYS 42 1HB CYS 42 5.540 -3.827 -9.441 289 HB3 CYS 42 2HB CYS 42 5.786 -4.900 -8.067 290 H ARG 43 H ARG 43 3.176 -4.440 -6.048 291 HA ARG 43 HA ARG 43 2.187 -2.047 -5.441 292 HB2 ARG 43 1HB ARG 43 2.783 -3.803 -3.783 293 HB3 ARG 43 2HB ARG 43 4.459 -3.278 -3.873 294 HG2 ARG 43 1HG ARG 43 3.622 -2.257 -1.952 295 HG3 ARG 43 2HG ARG 43 3.602 -0.982 -3.173 296 HD2 ARG 43 1HD ARG 43 1.187 -1.627 -3.599 297 HD3 ARG 43 2HD ARG 43 1.288 -2.598 -2.132 298 HE ARG 43 HE ARG 43 1.291 -0.663 -0.872 299 HH11 ARG 43 1HH1 ARG 43 1.613 0.099 -4.254 300 HH12 ARG 43 2HH1 ARG 43 1.335 1.795 -4.032 301 HH21 ARG 43 1HH2 ARG 43 0.923 1.567 -0.567 302 HH22 ARG 43 2HH2 ARG 43 0.943 2.629 -1.934 303 H ALA 44 H ALA 44 5.605 -2.634 -6.120 304 HA ALA 44 HA ALA 44 6.370 0.096 -5.658 305 HB1 ALA 44 3HB ALA 44 7.809 -2.065 -5.494 306 HB2 ALA 44 1HB ALA 44 8.041 -1.821 -7.225 307 HB3 ALA 44 2HB ALA 44 8.538 -0.571 -6.084 308 H CYS 45 H CYS 45 6.384 -1.928 -8.601 309 HA CYS 45 HA CYS 45 6.976 -0.164 -10.531 310 HB2 CYS 45 1HB CYS 45 4.842 -2.289 -10.519 311 HB3 CYS 45 2HB CYS 45 5.205 -1.355 -11.967 312 H ILE 46 H ILE 46 3.584 -0.669 -9.538 313 HA ILE 46 HA ILE 46 2.403 1.379 -10.912 314 HB ILE 46 HB ILE 46 1.144 -0.256 -9.581 315 HG12 ILE 46 1HG1 ILE 46 0.349 2.408 -8.474 316 HG13 ILE 46 2HG1 ILE 46 0.341 2.173 -10.218 317 HG21 ILE 46 1HG2 ILE 46 1.375 1.239 -7.070 318 HG22 ILE 46 2HG2 ILE 46 1.311 -0.499 -7.357 319 HG23 ILE 46 3HG2 ILE 46 2.833 0.370 -7.548 320 HD11 ILE 46 3HD1 ILE 46 -1.131 0.405 -8.285 321 HD12 ILE 46 1HD1 ILE 46 -1.848 1.794 -9.102 322 HD13 ILE 46 2HD1 ILE 46 -1.261 0.421 -10.043 323 H THR 47 H THR 47 4.268 1.576 -7.948 324 HA THR 47 HA THR 47 3.603 4.301 -7.386 325 HB THR 47 HB THR 47 5.920 2.639 -6.375 326 HG1 THR 47 1HG THR 47 4.557 1.926 -4.891 327 HG21 THR 47 3HG2 THR 47 6.247 4.273 -4.698 328 HG22 THR 47 1HG2 THR 47 4.747 5.105 -5.106 329 HG23 THR 47 2HG2 THR 47 6.120 5.170 -6.211 330 H LEU 48 H LEU 48 6.350 2.663 -8.912 331 HA LEU 48 HA LEU 48 7.899 5.000 -9.311 332 HB2 LEU 48 1HB LEU 48 7.936 2.214 -10.348 333 HB3 LEU 48 2HB LEU 48 8.871 3.435 -11.208 334 HG LEU 48 HG LEU 48 9.202 2.869 -8.267 335 HD11 LEU 48 1HD1 LEU 48 9.798 1.088 -10.270 336 HD12 LEU 48 2HD1 LEU 48 10.553 1.143 -8.677 337 HD13 LEU 48 3HD1 LEU 48 11.318 1.953 -10.044 338 HD21 LEU 48 3HD2 LEU 48 10.662 4.507 -10.307 339 HD22 LEU 48 1HD2 LEU 48 11.486 3.900 -8.871 340 HD23 LEU 48 2HD2 LEU 48 10.095 4.971 -8.702 341 H ASN 49 H ASN 49 5.972 3.073 -11.615 342 HA ASN 49 HA ASN 49 6.227 4.657 -13.845 343 HB2 ASN 49 1HB ASN 49 4.970 2.414 -13.521 344 HB3 ASN 49 2HB ASN 49 3.576 3.422 -13.144 345 HD21 ASN 49 1HD2 ASN 49 6.008 2.754 -15.599 346 HD22 ASN 49 2HD2 ASN 49 5.043 3.241 -16.947 347 H TYR 50 H TYR 50 3.815 4.970 -11.255 348 HA TYR 50 HA TYR 50 2.430 7.157 -12.334 349 HB2 TYR 50 1HB TYR 50 1.285 6.141 -10.599 350 HB3 TYR 50 2HB TYR 50 2.722 5.998 -9.593 351 HD1 TYR 50 2HD TYR 50 1.038 8.908 -11.231 352 HD2 TYR 50 1HD TYR 50 2.408 7.138 -7.613 353 HE1 TYR 50 2HE TYR 50 0.367 10.927 -9.996 354 HE2 TYR 50 1HE TYR 50 1.739 9.151 -6.368 355 HH TYR 50 HH TYR 50 0.550 12.024 -8.024 356 H GLU 51 H GLU 51 5.105 7.050 -9.994 357 HA GLU 51 HA GLU 51 5.331 9.787 -9.529 358 HB2 GLU 51 1HB GLU 51 7.449 7.633 -9.525 359 HB3 GLU 51 2HB GLU 51 7.717 9.269 -8.939 360 HG2 GLU 51 1HG GLU 51 5.423 7.762 -7.821 361 HG3 GLU 51 2HG GLU 51 7.047 7.283 -7.330 362 H SER 52 H SER 52 6.964 7.774 -11.960 363 HA SER 52 HA SER 52 8.593 9.682 -13.115 364 HB2 SER 52 1HB SER 52 7.186 7.287 -14.286 365 HB3 SER 52 2HB SER 52 8.259 8.297 -15.256 366 HG SER 52 HG SER 52 9.883 7.874 -13.627 367 H ASN 53 H ASN 53 5.243 8.866 -13.993 368 HA ASN 53 HA ASN 53 5.074 11.466 -15.373 369 HB2 ASN 53 1HB ASN 53 3.173 10.293 -16.676 370 HB3 ASN 53 2HB ASN 53 4.836 9.894 -17.094 371 HD21 ASN 53 1HD2 ASN 53 5.350 7.829 -17.181 372 HD22 ASN 53 2HD2 ASN 53 4.452 6.531 -16.478 373 H ARG 54 H ARG 54 4.073 12.787 -13.980 374 HA ARG 54 HA ARG 54 2.056 11.867 -12.156 375 HB2 ARG 54 1HB ARG 54 3.334 14.498 -12.776 376 HB3 ARG 54 2HB ARG 54 1.824 14.479 -11.875 377 HG2 ARG 54 1HG ARG 54 3.135 12.686 -10.434 378 HG3 ARG 54 2HG ARG 54 4.526 13.561 -11.077 379 HD2 ARG 54 1HD ARG 54 2.236 15.066 -9.884 380 HD3 ARG 54 2HD ARG 54 3.433 14.311 -8.832 381 HE ARG 54 HE ARG 54 4.949 15.708 -10.578 382 HH11 ARG 54 1HH1 ARG 54 2.230 16.552 -8.575 383 HH12 ARG 54 2HH1 ARG 54 2.729 18.198 -8.366 384 HH21 ARG 54 1HH2 ARG 54 5.616 17.872 -10.311 385 HH22 ARG 54 2HH2 ARG 54 4.654 18.948 -9.355 386 H ASN 55 H ASN 55 -0.025 13.279 -12.019 387 HA ASN 55 HA ASN 55 -1.128 13.806 -14.679 388 HB2 ASN 55 1HB ASN 55 -1.629 11.412 -13.771 389 HB3 ASN 55 2HB ASN 55 -2.761 12.240 -12.705 390 HD21 ASN 55 1HD2 ASN 55 -1.825 12.313 -16.130 391 HD22 ASN 55 2HD2 ASN 55 -3.440 12.343 -16.744 392 H THR 56 H THR 56 -3.646 14.454 -14.161 393 HA THR 56 HA THR 56 -3.420 16.944 -12.788 394 HB THR 56 HB THR 56 -4.880 16.715 -14.739 395 HG1 THR 56 1HG THR 56 -5.530 18.351 -13.414 396 HG21 THR 56 3HG2 THR 56 -6.324 15.035 -14.983 397 HG22 THR 56 1HG2 THR 56 -7.134 15.452 -13.475 398 HG23 THR 56 2HG2 THR 56 -5.741 14.371 -13.457 399 H ASP 57 H ASP 57 -3.659 17.315 -10.692 400 HA ASP 57 HA ASP 57 -4.428 17.198 -8.545 401 HB2 ASP 57 1HB ASP 57 -6.352 15.043 -9.410 402 HB3 ASP 57 2HB ASP 57 -6.497 16.145 -8.044 403 H GLY 58 H GLY 58 -2.302 15.509 -9.650 404 HA2 GLY 58 1HA GLY 58 -0.823 14.024 -8.662 405 HA3 GLY 58 2HA GLY 58 -1.987 13.777 -7.369 406 H LYS 59 H LYS 59 -3.946 13.262 -9.758 407 HA LYS 59 HA LYS 59 -4.386 10.637 -9.555 408 HB2 LYS 59 1HB LYS 59 -4.570 12.453 -11.923 409 HB3 LYS 59 2HB LYS 59 -4.887 10.737 -12.143 410 HG2 LYS 59 1HG LYS 59 -6.291 12.403 -10.074 411 HG3 LYS 59 2HG LYS 59 -6.895 12.193 -11.719 412 HD2 LYS 59 1HD LYS 59 -6.928 9.754 -11.369 413 HD3 LYS 59 2HD LYS 59 -6.380 10.000 -9.709 414 HE2 LYS 59 1HE LYS 59 -8.919 11.156 -10.852 415 HE3 LYS 59 2HE LYS 59 -8.839 9.649 -9.940 416 HZ1 LYS 59 3HZ LYS 59 -9.471 11.476 -8.513 417 HZ2 LYS 59 1HZ LYS 59 -8.077 12.338 -8.934 418 HZ3 LYS 59 2HZ LYS 59 -7.948 10.897 -8.058 419 H GLY 60 H GLY 60 -3.749 8.703 -10.604 420 HA2 GLY 60 1HA GLY 60 -0.947 8.774 -11.516 421 HA3 GLY 60 2HA GLY 60 -1.728 7.392 -10.763 422 H ASN 61 H ASN 61 -0.429 8.226 -13.529 423 HA ASN 61 HA ASN 61 -2.508 7.513 -15.388 424 HB2 ASN 61 1HB ASN 61 0.468 7.922 -15.731 425 HB3 ASN 61 2HB ASN 61 -0.630 7.557 -17.059 426 HD21 ASN 61 1HD2 ASN 61 0.157 9.894 -14.567 427 HD22 ASN 61 2HD2 ASN 61 -0.574 11.252 -15.346 428 H CYS 62 H CYS 62 -2.815 5.592 -16.428 429 HA CYS 62 HA CYS 62 -1.549 3.266 -15.215 430 HB2 CYS 62 1HB CYS 62 -4.095 3.594 -15.688 431 HB3 CYS 62 2HB CYS 62 -3.671 3.122 -17.331 432 HA PRO 63 HA PRO 63 1.281 2.881 -18.613 433 HB2 PRO 63 1HB PRO 63 2.298 0.469 -17.891 434 HB3 PRO 63 2HB PRO 63 2.740 1.978 -17.084 435 HG2 PRO 63 1HG PRO 63 0.770 -0.113 -16.243 436 HG3 PRO 63 2HG PRO 63 1.965 0.757 -15.263 437 HD2 PRO 63 1HD PRO 63 -0.656 1.434 -15.303 438 HD3 PRO 63 2HD PRO 63 0.636 2.630 -15.078 439 H VAL 64 H VAL 64 -1.614 1.479 -18.340 440 HA VAL 64 HA VAL 64 -1.174 -0.292 -20.656 441 HB VAL 64 HB VAL 64 -3.280 -0.645 -18.520 442 HG11 VAL 64 1HG1 VAL 64 -4.243 -1.631 -20.343 443 HG12 VAL 64 2HG1 VAL 64 -2.693 -2.001 -21.101 444 HG13 VAL 64 3HG1 VAL 64 -3.273 -2.979 -19.752 445 HG21 VAL 64 3HG2 VAL 64 -2.015 -2.427 -17.638 446 HG22 VAL 64 1HG2 VAL 64 -0.911 -2.428 -19.013 447 HG23 VAL 64 2HG2 VAL 64 -0.870 -1.103 -17.850 448 H CYS 65 H CYS 65 -3.898 1.289 -18.974 449 HA CYS 65 HA CYS 65 -4.928 2.102 -21.609 450 HB2 CYS 65 1HB CYS 65 -7.137 2.259 -20.506 451 HB3 CYS 65 2HB CYS 65 -6.455 0.638 -20.409 452 H ARG 66 H ARG 66 -2.941 3.436 -19.722 453 HA ARG 66 HA ARG 66 -2.630 5.475 -18.656 454 HB2 ARG 66 1HB ARG 66 -2.857 7.313 -20.307 455 HB3 ARG 66 2HB ARG 66 -2.046 5.897 -20.962 456 HG2 ARG 66 1HG ARG 66 -4.978 6.109 -21.351 457 HG3 ARG 66 2HG ARG 66 -3.936 7.180 -22.291 458 HD2 ARG 66 1HD ARG 66 -2.613 4.994 -22.795 459 HD3 ARG 66 2HD ARG 66 -4.109 4.195 -22.316 460 HE ARG 66 HE ARG 66 -5.006 5.953 -24.110 461 HH11 ARG 66 1HH1 ARG 66 -2.300 3.765 -24.208 462 HH12 ARG 66 2HH1 ARG 66 -2.364 3.555 -25.926 463 HH21 ARG 66 1HH2 ARG 66 -5.102 5.684 -26.373 464 HH22 ARG 66 2HH2 ARG 66 -3.958 4.648 -27.157 465 H VAL 67 H VAL 67 -5.090 4.385 -17.813 466 HA VAL 67 HA VAL 67 -7.069 6.503 -17.958 467 HB VAL 67 HB VAL 67 -7.626 4.017 -17.943 468 HG11 VAL 67 1HG1 VAL 67 -7.579 4.113 -14.981 469 HG12 VAL 67 2HG1 VAL 67 -7.403 2.740 -16.075 470 HG13 VAL 67 3HG1 VAL 67 -6.046 3.834 -15.807 471 HG21 VAL 67 3HG2 VAL 67 -8.909 6.161 -16.352 472 HG22 VAL 67 1HG2 VAL 67 -9.524 5.244 -17.727 473 HG23 VAL 67 2HG2 VAL 67 -9.509 4.520 -16.119 474 HA PRO 68 HA PRO 68 -5.470 8.538 -14.348 475 HB2 PRO 68 1HB PRO 68 -7.494 10.329 -14.090 476 HB3 PRO 68 2HB PRO 68 -6.224 10.484 -15.309 477 HG2 PRO 68 1HG PRO 68 -9.007 9.418 -15.597 478 HG3 PRO 68 2HG PRO 68 -8.104 10.496 -16.678 479 HD2 PRO 68 1HD PRO 68 -8.374 7.844 -17.156 480 HD3 PRO 68 2HD PRO 68 -6.929 8.759 -17.634 481 H TYR 69 H TYR 69 -5.602 7.178 -12.623 482 HA TYR 69 HA TYR 69 -8.252 6.790 -11.399 483 HB2 TYR 69 1HB TYR 69 -7.297 4.790 -10.318 484 HB3 TYR 69 2HB TYR 69 -7.211 4.689 -12.073 485 HD1 TYR 69 2HD TYR 69 -5.044 4.933 -13.224 486 HD2 TYR 69 1HD TYR 69 -5.309 4.872 -8.978 487 HE1 TYR 69 2HE TYR 69 -2.627 4.496 -13.085 488 HE2 TYR 69 1HE TYR 69 -2.893 4.436 -8.828 489 HH TYR 69 HH TYR 69 -0.992 3.644 -11.605 490 HA PRO 70 HA PRO 70 -6.959 9.223 -7.967 491 HB2 PRO 70 1HB PRO 70 -8.655 8.244 -6.086 492 HB3 PRO 70 2HB PRO 70 -9.182 9.315 -7.390 493 HG2 PRO 70 1HG PRO 70 -9.387 6.336 -7.186 494 HG3 PRO 70 2HG PRO 70 -10.593 7.504 -7.759 495 HD2 PRO 70 1HD PRO 70 -9.069 6.037 -9.449 496 HD3 PRO 70 2HD PRO 70 -9.619 7.678 -9.841 497 H PHE 71 H PHE 71 -4.998 8.813 -7.134 498 HA PHE 71 HA PHE 71 -3.917 6.390 -6.402 499 HB2 PHE 71 1HB PHE 71 -2.878 8.806 -6.554 500 HB3 PHE 71 2HB PHE 71 -3.189 8.823 -4.821 501 HD1 PHE 71 1HD PHE 71 -1.781 6.444 -7.333 502 HD2 PHE 71 2HD PHE 71 -1.412 8.258 -3.500 503 HE1 PHE 71 1HE PHE 71 0.310 5.205 -6.952 504 HE2 PHE 71 2HE PHE 71 0.680 7.022 -3.113 505 HZ PHE 71 HZ PHE 71 1.544 5.494 -4.840 506 H GLY 72 H GLY 72 -3.738 5.210 -4.513 507 HA2 GLY 72 1HA GLY 72 -4.080 4.837 -2.186 508 HA3 GLY 72 2HA GLY 72 -5.284 6.116 -2.188 509 H ASN 73 H ASN 73 -7.139 5.548 -3.883 510 HA ASN 73 HA ASN 73 -8.804 3.721 -2.840 511 HB2 ASN 73 1HB ASN 73 -8.471 4.763 -5.607 512 HB3 ASN 73 2HB ASN 73 -9.549 3.387 -5.390 513 HD21 ASN 73 1HD2 ASN 73 -9.007 6.741 -4.723 514 HD22 ASN 73 2HD2 ASN 73 -10.590 7.091 -4.126 515 H LEU 74 H LEU 74 -6.236 3.021 -5.154 516 HA LEU 74 HA LEU 74 -6.641 0.535 -6.022 517 HB2 LEU 74 1HB LEU 74 -4.088 1.366 -4.652 518 HB3 LEU 74 2HB LEU 74 -4.262 0.085 -5.849 519 HG LEU 74 HG LEU 74 -4.930 2.928 -6.530 520 HD11 LEU 74 1HD1 LEU 74 -2.748 3.240 -5.787 521 HD12 LEU 74 2HD1 LEU 74 -2.555 2.932 -7.513 522 HD13 LEU 74 3HD1 LEU 74 -2.226 1.651 -6.347 523 HD21 LEU 74 3HD2 LEU 74 -3.673 1.163 -8.490 524 HD22 LEU 74 1HD2 LEU 74 -5.116 2.169 -8.626 525 HD23 LEU 74 2HD2 LEU 74 -5.222 0.570 -7.889 526 H LYS 75 H LYS 75 -6.857 -1.504 -5.285 527 HA LYS 75 HA LYS 75 -6.788 -1.880 -2.367 528 HB2 LYS 75 1HB LYS 75 -8.278 -3.477 -4.459 529 HB3 LYS 75 2HB LYS 75 -8.352 -3.734 -2.721 530 HG2 LYS 75 1HG LYS 75 -9.072 -1.063 -3.827 531 HG3 LYS 75 2HG LYS 75 -10.223 -2.395 -3.953 532 HD2 LYS 75 1HD LYS 75 -10.262 -2.676 -1.578 533 HD3 LYS 75 2HD LYS 75 -8.923 -1.545 -1.369 534 HE2 LYS 75 1HE LYS 75 -10.431 0.202 -2.427 535 HE3 LYS 75 2HE LYS 75 -11.746 -0.955 -2.225 536 HZ1 LYS 75 3HZ LYS 75 -10.235 -0.621 0.174 537 HZ2 LYS 75 1HZ LYS 75 -11.901 -0.467 -0.078 538 HZ3 LYS 75 2HZ LYS 75 -10.877 0.848 -0.366 539 HA PRO 76 HA PRO 76 -3.403 -4.665 -2.766 540 HB2 PRO 76 1HB PRO 76 -3.770 -6.124 -0.506 541 HB3 PRO 76 2HB PRO 76 -3.163 -4.464 -0.490 542 HG2 PRO 76 1HG PRO 76 -5.935 -5.472 0.024 543 HG3 PRO 76 2HG PRO 76 -5.016 -4.231 0.896 544 HD2 PRO 76 1HD PRO 76 -6.917 -3.620 -0.933 545 HD3 PRO 76 2HD PRO 76 -5.484 -2.605 -0.669 546 H ASN 77 H ASN 77 -3.365 -6.257 -4.219 547 HA ASN 77 HA ASN 77 -5.541 -8.159 -4.406 548 HB2 ASN 77 1HB ASN 77 -4.632 -7.255 -6.470 549 HB3 ASN 77 2HB ASN 77 -3.021 -7.825 -6.047 550 HD21 ASN 77 1HD2 ASN 77 -4.150 -8.502 -8.433 551 HD22 ASN 77 2HD2 ASN 77 -4.531 -10.187 -8.445 552 H LEU 78 H LEU 78 -5.397 -9.472 -2.610 553 HA LEU 78 HA LEU 78 -3.331 -11.502 -2.724 554 HB2 LEU 78 1HB LEU 78 -2.442 -11.217 -0.611 555 HB3 LEU 78 2HB LEU 78 -2.589 -9.563 -1.202 556 HG LEU 78 HG LEU 78 -4.567 -10.882 0.655 557 HD11 LEU 78 1HD1 LEU 78 -2.531 -8.818 1.428 558 HD12 LEU 78 2HD1 LEU 78 -2.199 -10.545 1.549 559 HD13 LEU 78 3HD1 LEU 78 -3.526 -9.836 2.469 560 HD21 LEU 78 3HD2 LEU 78 -5.702 -9.151 -0.387 561 HD22 LEU 78 1HD2 LEU 78 -4.261 -8.140 -0.506 562 HD23 LEU 78 2HD2 LEU 78 -5.050 -8.370 1.055 563 H HIS 79 H HIS 79 -4.217 -13.432 -2.392 564 HA HIS 79 HA HIS 79 -5.813 -15.014 -1.989 565 HB2 HIS 79 1HB HIS 79 -5.924 -13.412 0.571 566 HB3 HIS 79 2HB HIS 79 -6.731 -14.962 0.357 567 HD2 HIS 79 2HD HIS 79 -4.085 -16.378 -1.203 568 HE1 HIS 79 1HE HIS 79 -2.243 -15.670 2.553 569 HE2 HIS 79 2HE HIS 79 -2.081 -16.884 0.352 570 H VAL 80 H VAL 80 -6.770 -12.973 -3.595 571 HA VAL 80 HA VAL 80 -9.538 -12.629 -2.640 572 HB VAL 80 HB VAL 80 -9.699 -10.736 -4.243 573 HG11 VAL 80 1HG1 VAL 80 -9.387 -9.833 -2.193 574 HG12 VAL 80 2HG1 VAL 80 -7.936 -10.785 -1.873 575 HG13 VAL 80 3HG1 VAL 80 -7.843 -9.348 -2.892 576 HG21 VAL 80 3HG2 VAL 80 -6.811 -11.422 -4.669 577 HG22 VAL 80 1HG2 VAL 80 -8.073 -11.129 -5.865 578 HG23 VAL 80 2HG2 VAL 80 -7.408 -9.785 -4.938 579 H ALA 81 H ALA 81 -10.897 -12.070 -4.849 580 HA ALA 81 HA ALA 81 -10.622 -14.518 -6.451 581 HB1 ALA 81 3HB ALA 81 -12.815 -14.749 -6.215 582 HB2 ALA 81 1HB ALA 81 -12.838 -13.306 -5.199 583 HB3 ALA 81 2HB ALA 81 -13.089 -13.165 -6.940 584 H ASN 82 H ASN 82 -9.891 -14.358 -8.459 585 HA ASN 82 HA ASN 82 -9.269 -11.892 -9.680 586 HB2 ASN 82 1HB ASN 82 -8.199 -14.185 -10.091 587 HB3 ASN 82 2HB ASN 82 -9.561 -14.502 -11.161 588 HD21 ASN 82 1HD2 ASN 82 -8.470 -14.564 -13.054 589 HD22 ASN 82 2HD2 ASN 82 -7.646 -13.208 -13.738 590 H ILE 83 H ILE 83 -11.803 -14.287 -10.398 591 HA ILE 83 HA ILE 83 -13.099 -12.362 -12.179 592 HB ILE 83 HB ILE 83 -14.594 -14.241 -12.786 593 HG12 ILE 83 1HG1 ILE 83 -12.754 -15.926 -11.077 594 HG13 ILE 83 2HG1 ILE 83 -14.370 -15.429 -10.588 595 HG21 ILE 83 1HG2 ILE 83 -12.026 -13.776 -13.585 596 HG22 ILE 83 2HG2 ILE 83 -11.980 -15.491 -13.180 597 HG23 ILE 83 3HG2 ILE 83 -13.144 -14.896 -14.363 598 HD11 ILE 83 3HD1 ILE 83 -13.687 -17.730 -11.950 599 HD12 ILE 83 1HD1 ILE 83 -15.309 -17.070 -11.743 600 HD13 ILE 83 2HD1 ILE 83 -14.378 -16.684 -13.191 601 H VAL 84 H VAL 84 -14.994 -11.383 -11.732 602 HA VAL 84 HA VAL 84 -16.665 -12.312 -9.545 603 HB VAL 84 HB VAL 84 -16.718 -10.109 -8.434 604 HG11 VAL 84 1HG1 VAL 84 -15.328 -11.829 -7.482 605 HG12 VAL 84 2HG1 VAL 84 -14.011 -11.429 -8.586 606 HG13 VAL 84 3HG1 VAL 84 -14.500 -10.279 -7.341 607 HG21 VAL 84 3HG2 VAL 84 -14.317 -9.433 -10.128 608 HG22 VAL 84 1HG2 VAL 84 -15.943 -8.814 -10.416 609 HG23 VAL 84 2HG2 VAL 84 -15.096 -8.408 -8.923 610 H GLU 85 H GLU 85 -18.776 -11.870 -9.875 611 HA GLU 85 HA GLU 85 -19.498 -10.572 -12.361 612 HB2 GLU 85 1HB GLU 85 -21.700 -11.443 -11.995 613 HB3 GLU 85 2HB GLU 85 -20.548 -12.710 -11.597 614 HG2 GLU 85 1HG GLU 85 -20.805 -11.790 -9.172 615 HG3 GLU 85 2HG GLU 85 -22.311 -11.120 -9.798 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -35.068 5.426 -35.018 2 HA2 GLY 1 1HA GLY 1 -33.472 3.906 -34.363 3 HA3 GLY 1 2HA GLY 1 -34.769 2.739 -34.151 4 H SER 2 H SER 2 -34.666 1.007 -35.402 5 HA SER 2 HA SER 2 -34.200 -0.386 -37.140 6 HB2 SER 2 1HB SER 2 -35.392 1.391 -38.458 7 HB3 SER 2 2HB SER 2 -33.821 2.116 -38.798 8 HG SER 2 HG SER 2 -33.620 -0.441 -39.386 9 H SER 3 H SER 3 -32.142 0.178 -35.401 10 HA SER 3 HA SER 3 -29.836 -0.214 -37.146 11 HB2 SER 3 1HB SER 3 -30.039 2.252 -36.437 12 HB3 SER 3 2HB SER 3 -29.614 1.691 -34.821 13 HG SER 3 HG SER 3 -27.963 2.278 -36.744 14 H GLY 4 H GLY 4 -27.902 -0.960 -35.878 15 HA2 GLY 4 1HA GLY 4 -27.424 -1.762 -33.468 16 HA3 GLY 4 2HA GLY 4 -28.829 -2.777 -33.757 17 H SER 5 H SER 5 -25.516 -2.659 -33.859 18 HA SER 5 HA SER 5 -25.250 -5.267 -34.886 19 HB2 SER 5 1HB SER 5 -24.153 -4.873 -36.998 20 HB3 SER 5 2HB SER 5 -25.709 -4.044 -37.029 21 HG SER 5 HG SER 5 -23.303 -3.009 -37.412 22 H SER 6 H SER 6 -23.261 -6.117 -34.423 23 HA SER 6 HA SER 6 -20.906 -4.590 -34.058 24 HB2 SER 6 1HB SER 6 -22.369 -3.984 -32.013 25 HB3 SER 6 2HB SER 6 -22.009 -5.616 -31.451 26 HG SER 6 HG SER 6 -19.816 -5.099 -31.488 27 H GLY 7 H GLY 7 -19.089 -5.888 -33.374 28 HA2 GLY 7 1HA GLY 7 -19.226 -8.586 -32.650 29 HA3 GLY 7 2HA GLY 7 -19.169 -8.513 -34.405 30 H MET 8 H MET 8 -17.335 -8.709 -31.643 31 HA MET 8 HA MET 8 -14.919 -7.966 -33.139 32 HB2 MET 8 1HB MET 8 -13.931 -7.025 -31.096 33 HB3 MET 8 2HB MET 8 -15.379 -6.149 -31.577 34 HG2 MET 8 1HG MET 8 -16.555 -7.777 -29.905 35 HG3 MET 8 2HG MET 8 -14.931 -7.938 -29.241 36 HE1 MET 8 3HE MET 8 -17.845 -6.397 -27.844 37 HE2 MET 8 1HE MET 8 -17.919 -4.741 -28.448 38 HE3 MET 8 2HE MET 8 -18.071 -6.095 -29.567 39 H ALA 9 H ALA 9 -13.647 -9.676 -33.334 40 HA ALA 9 HA ALA 9 -13.437 -11.557 -31.085 41 HB1 ALA 9 3HB ALA 9 -14.648 -12.995 -32.318 42 HB2 ALA 9 1HB ALA 9 -14.347 -12.122 -33.821 43 HB3 ALA 9 2HB ALA 9 -13.133 -13.235 -33.189 44 H SER 10 H SER 10 -11.422 -12.403 -30.726 45 HA SER 10 HA SER 10 -9.296 -12.025 -32.656 46 HB2 SER 10 1HB SER 10 -9.559 -10.371 -30.190 47 HB3 SER 10 2HB SER 10 -7.946 -10.934 -30.628 48 HG SER 10 HG SER 10 -9.075 -8.844 -31.569 49 H SER 11 H SER 11 -7.732 -13.534 -32.456 50 HA SER 11 HA SER 11 -7.239 -14.904 -29.971 51 HB2 SER 11 1HB SER 11 -7.974 -17.068 -30.569 52 HB3 SER 11 2HB SER 11 -9.305 -16.007 -31.030 53 HG SER 11 HG SER 11 -7.314 -17.095 -32.734 54 H VAL 12 H VAL 12 -5.185 -15.584 -29.884 55 HA VAL 12 HA VAL 12 -3.565 -15.328 -32.303 56 HB VAL 12 HB VAL 12 -1.627 -15.435 -30.796 57 HG11 VAL 12 1HG1 VAL 12 -1.786 -13.239 -30.438 58 HG12 VAL 12 2HG1 VAL 12 -3.426 -13.362 -31.078 59 HG13 VAL 12 3HG1 VAL 12 -3.150 -13.436 -29.337 60 HG21 VAL 12 3HG2 VAL 12 -1.717 -16.036 -28.628 61 HG22 VAL 12 1HG2 VAL 12 -3.233 -15.180 -28.349 62 HG23 VAL 12 2HG2 VAL 12 -3.247 -16.782 -29.086 63 H LEU 13 H LEU 13 -1.557 -16.939 -32.170 64 HA LEU 13 HA LEU 13 -2.659 -19.652 -31.841 65 HB2 LEU 13 1HB LEU 13 -1.074 -20.267 -33.721 66 HB3 LEU 13 2HB LEU 13 -2.508 -19.338 -34.154 67 HG LEU 13 HG LEU 13 -0.788 -17.318 -33.874 68 HD11 LEU 13 1HD1 LEU 13 1.123 -18.597 -33.243 69 HD12 LEU 13 2HD1 LEU 13 1.381 -18.027 -34.891 70 HD13 LEU 13 3HD1 LEU 13 0.905 -19.700 -34.601 71 HD21 LEU 13 3HD2 LEU 13 -1.552 -17.162 -35.956 72 HD22 LEU 13 1HD2 LEU 13 -1.814 -18.903 -36.056 73 HD23 LEU 13 2HD2 LEU 13 -0.234 -18.225 -36.450 74 H GLU 14 H GLU 14 -1.211 -18.192 -29.855 75 HA GLU 14 HA GLU 14 0.997 -20.057 -29.475 76 HB2 GLU 14 1HB GLU 14 1.277 -17.082 -29.673 77 HB3 GLU 14 2HB GLU 14 2.333 -17.980 -28.592 78 HG2 GLU 14 1HG GLU 14 2.850 -19.445 -30.628 79 HG3 GLU 14 2HG GLU 14 2.125 -18.145 -31.572 80 H MET 15 H MET 15 1.476 -20.485 -27.331 81 HA MET 15 HA MET 15 -0.559 -19.609 -25.433 82 HB2 MET 15 1HB MET 15 0.528 -21.392 -23.973 83 HB3 MET 15 2HB MET 15 -0.293 -21.952 -25.423 84 HG2 MET 15 1HG MET 15 1.816 -22.192 -26.572 85 HG3 MET 15 2HG MET 15 2.674 -21.522 -25.186 86 HE1 MET 15 3HE MET 15 4.233 -24.354 -25.236 87 HE2 MET 15 1HE MET 15 3.102 -25.471 -26.001 88 HE3 MET 15 2HE MET 15 3.379 -23.878 -26.706 89 H ILE 16 H ILE 16 0.359 -17.435 -25.305 90 HA ILE 16 HA ILE 16 2.787 -17.311 -23.643 91 HB ILE 16 HB ILE 16 1.559 -15.114 -25.313 92 HG12 ILE 16 1HG1 ILE 16 4.156 -16.570 -25.810 93 HG13 ILE 16 2HG1 ILE 16 2.636 -17.066 -26.548 94 HG21 ILE 16 1HG2 ILE 16 4.285 -15.102 -24.061 95 HG22 ILE 16 2HG2 ILE 16 3.353 -13.748 -24.696 96 HG23 ILE 16 3HG2 ILE 16 2.865 -14.525 -23.190 97 HD11 ILE 16 3HD1 ILE 16 2.821 -15.522 -28.121 98 HD12 ILE 16 1HD1 ILE 16 3.096 -14.250 -26.930 99 HD13 ILE 16 2HD1 ILE 16 4.451 -15.210 -27.525 100 H LYS 17 H LYS 17 2.528 -16.811 -21.577 101 HA LYS 17 HA LYS 17 -0.033 -15.760 -20.664 102 HB2 LYS 17 1HB LYS 17 2.351 -16.862 -19.169 103 HB3 LYS 17 2HB LYS 17 0.901 -16.247 -18.386 104 HG2 LYS 17 1HG LYS 17 0.868 -18.496 -20.381 105 HG3 LYS 17 2HG LYS 17 1.024 -18.737 -18.639 106 HD2 LYS 17 1HD LYS 17 -1.114 -17.667 -18.264 107 HD3 LYS 17 2HD LYS 17 -1.259 -17.291 -19.983 108 HE2 LYS 17 1HE LYS 17 -0.970 -20.110 -18.983 109 HE3 LYS 17 2HE LYS 17 -2.541 -19.319 -19.104 110 HZ1 LYS 17 3HZ LYS 17 -2.587 -19.783 -21.253 111 HZ2 LYS 17 1HZ LYS 17 -1.107 -20.592 -21.124 112 HZ3 LYS 17 2HZ LYS 17 -1.140 -18.946 -21.510 113 H GLU 18 H GLU 18 1.333 -13.869 -22.085 114 HA GLU 18 HA GLU 18 2.772 -12.168 -20.218 115 HB2 GLU 18 1HB GLU 18 3.168 -10.718 -22.127 116 HB3 GLU 18 2HB GLU 18 3.559 -12.380 -22.544 117 HG2 GLU 18 1HG GLU 18 1.588 -12.619 -23.831 118 HG3 GLU 18 2HG GLU 18 0.923 -11.108 -23.214 119 H GLU 19 H GLU 19 0.146 -12.617 -19.430 120 HA GLU 19 HA GLU 19 -1.033 -9.946 -19.817 121 HB2 GLU 19 1HB GLU 19 -2.424 -12.619 -19.690 122 HB3 GLU 19 2HB GLU 19 -3.270 -11.098 -19.438 123 HG2 GLU 19 1HG GLU 19 -2.325 -10.411 -21.713 124 HG3 GLU 19 2HG GLU 19 -1.961 -12.122 -21.928 125 H VAL 20 H VAL 20 -1.156 -12.810 -17.695 126 HA VAL 20 HA VAL 20 -2.081 -11.366 -15.431 127 HB VAL 20 HB VAL 20 -1.519 -13.389 -14.142 128 HG11 VAL 20 1HG1 VAL 20 -2.914 -14.999 -15.561 129 HG12 VAL 20 2HG1 VAL 20 -3.649 -13.459 -15.111 130 HG13 VAL 20 3HG1 VAL 20 -3.000 -13.687 -16.735 131 HG21 VAL 20 3HG2 VAL 20 -0.829 -15.231 -16.132 132 HG22 VAL 20 1HG2 VAL 20 0.237 -13.846 -16.374 133 HG23 VAL 20 2HG2 VAL 20 0.184 -14.655 -14.808 134 H THR 21 H THR 21 1.042 -11.915 -16.796 135 HA THR 21 HA THR 21 2.504 -11.313 -14.383 136 HB THR 21 HB THR 21 3.581 -11.355 -17.205 137 HG1 THR 21 1HG THR 21 3.179 -13.472 -15.344 138 HG21 THR 21 3HG2 THR 21 4.787 -10.597 -14.856 139 HG22 THR 21 1HG2 THR 21 5.625 -11.163 -16.300 140 HG23 THR 21 2HG2 THR 21 5.251 -12.292 -14.998 141 H CYS 22 H CYS 22 3.518 -9.418 -13.848 142 HA CYS 22 HA CYS 22 2.406 -7.001 -14.379 143 HB2 CYS 22 1HB CYS 22 4.117 -7.421 -12.635 144 HB3 CYS 22 2HB CYS 22 5.356 -7.458 -13.885 145 HA PRO 23 HA PRO 23 3.379 -6.390 -18.692 146 HB2 PRO 23 1HB PRO 23 2.088 -4.013 -18.917 147 HB3 PRO 23 2HB PRO 23 1.245 -5.566 -18.901 148 HG2 PRO 23 1HG PRO 23 1.644 -3.603 -16.676 149 HG3 PRO 23 2HG PRO 23 0.187 -4.510 -17.119 150 HD2 PRO 23 1HD PRO 23 1.805 -5.259 -15.081 151 HD3 PRO 23 2HD PRO 23 0.910 -6.431 -16.070 152 H ILE 24 H ILE 24 4.703 -4.967 -16.052 153 HA ILE 24 HA ILE 24 6.150 -2.929 -17.606 154 HB ILE 24 HB ILE 24 5.894 -3.223 -14.611 155 HG12 ILE 24 1HG1 ILE 24 4.844 -0.990 -16.343 156 HG13 ILE 24 2HG1 ILE 24 3.880 -2.415 -15.971 157 HG21 ILE 24 1HG2 ILE 24 7.814 -2.080 -14.571 158 HG22 ILE 24 2HG2 ILE 24 7.723 -1.694 -16.288 159 HG23 ILE 24 3HG2 ILE 24 6.854 -0.704 -15.116 160 HD11 ILE 24 3HD1 ILE 24 3.385 -0.508 -14.508 161 HD12 ILE 24 1HD1 ILE 24 3.977 -1.911 -13.618 162 HD13 ILE 24 2HD1 ILE 24 5.049 -0.544 -13.926 163 H CYS 25 H CYS 25 6.827 -5.129 -14.875 164 HA CYS 25 HA CYS 25 9.590 -5.365 -15.783 165 HB2 CYS 25 1HB CYS 25 9.984 -6.491 -13.638 166 HB3 CYS 25 2HB CYS 25 9.193 -4.937 -13.402 167 H LEU 26 H LEU 26 6.644 -7.196 -15.625 168 HA LEU 26 HA LEU 26 6.050 -9.173 -16.589 169 HB2 LEU 26 1HB LEU 26 8.854 -9.401 -17.644 170 HB3 LEU 26 2HB LEU 26 7.391 -10.151 -18.278 171 HG LEU 26 HG LEU 26 7.767 -7.170 -18.285 172 HD11 LEU 26 1HD1 LEU 26 8.274 -7.874 -20.838 173 HD12 LEU 26 2HD1 LEU 26 9.055 -9.201 -19.980 174 HD13 LEU 26 3HD1 LEU 26 9.524 -7.535 -19.641 175 HD21 LEU 26 3HD2 LEU 26 5.539 -8.504 -18.700 176 HD22 LEU 26 1HD2 LEU 26 6.243 -8.746 -20.300 177 HD23 LEU 26 2HD2 LEU 26 5.965 -7.112 -19.697 178 H GLU 27 H GLU 27 6.808 -9.162 -13.949 179 HA GLU 27 HA GLU 27 7.903 -11.866 -13.673 180 HB2 GLU 27 1HB GLU 27 8.891 -9.383 -12.306 181 HB3 GLU 27 2HB GLU 27 9.040 -10.950 -11.522 182 HG2 GLU 27 1HG GLU 27 10.318 -11.779 -13.439 183 HG3 GLU 27 2HG GLU 27 10.189 -10.194 -14.199 184 H LEU 28 H LEU 28 7.442 -12.809 -11.514 185 HA LEU 28 HA LEU 28 4.805 -12.915 -10.896 186 HB2 LEU 28 1HB LEU 28 7.273 -13.432 -9.331 187 HB3 LEU 28 2HB LEU 28 5.742 -13.406 -8.459 188 HG LEU 28 HG LEU 28 6.366 -15.207 -10.798 189 HD11 LEU 28 1HD1 LEU 28 6.588 -15.577 -7.840 190 HD12 LEU 28 2HD1 LEU 28 7.705 -16.057 -9.117 191 HD13 LEU 28 3HD1 LEU 28 6.199 -16.945 -8.884 192 HD21 LEU 28 3HD2 LEU 28 4.214 -16.009 -9.055 193 HD22 LEU 28 1HD2 LEU 28 4.218 -15.776 -10.803 194 HD23 LEU 28 2HD2 LEU 28 3.916 -14.407 -9.733 195 H LEU 29 H LEU 29 3.394 -11.417 -10.308 196 HA LEU 29 HA LEU 29 4.090 -8.867 -9.346 197 HB2 LEU 29 1HB LEU 29 1.451 -10.320 -9.233 198 HB3 LEU 29 2HB LEU 29 1.673 -8.601 -8.910 199 HG LEU 29 HG LEU 29 2.560 -9.657 -11.547 200 HD11 LEU 29 1HD1 LEU 29 0.381 -10.701 -11.263 201 HD12 LEU 29 2HD1 LEU 29 0.305 -9.406 -12.457 202 HD13 LEU 29 3HD1 LEU 29 -0.324 -9.143 -10.830 203 HD21 LEU 29 3HD2 LEU 29 2.132 -7.484 -12.279 204 HD22 LEU 29 1HD2 LEU 29 2.785 -7.260 -10.656 205 HD23 LEU 29 2HD2 LEU 29 1.046 -7.141 -10.931 206 H LYS 30 H LYS 30 4.870 -8.380 -7.414 207 HA LYS 30 HA LYS 30 4.249 -10.094 -5.126 208 HB2 LYS 30 1HB LYS 30 6.420 -8.158 -5.783 209 HB3 LYS 30 2HB LYS 30 6.022 -8.409 -4.088 210 HG2 LYS 30 1HG LYS 30 6.290 -10.901 -4.579 211 HG3 LYS 30 2HG LYS 30 7.070 -10.390 -6.078 212 HD2 LYS 30 1HD LYS 30 7.953 -9.271 -3.443 213 HD3 LYS 30 2HD LYS 30 8.530 -10.848 -3.986 214 HE2 LYS 30 1HE LYS 30 8.712 -8.399 -5.717 215 HE3 LYS 30 2HE LYS 30 9.963 -8.807 -4.544 216 HZ1 LYS 30 3HZ LYS 30 9.276 -11.049 -6.158 217 HZ2 LYS 30 1HZ LYS 30 10.788 -10.332 -5.906 218 HZ3 LYS 30 2HZ LYS 30 9.763 -9.741 -7.114 219 H GLU 31 H GLU 31 2.562 -9.548 -3.920 220 HA GLU 31 HA GLU 31 0.881 -8.300 -2.993 221 HB2 GLU 31 1HB GLU 31 3.430 -6.910 -2.268 222 HB3 GLU 31 2HB GLU 31 1.896 -6.207 -1.777 223 HG2 GLU 31 1HG GLU 31 1.468 -8.673 -0.913 224 HG3 GLU 31 2HG GLU 31 3.230 -8.687 -0.860 225 HA PRO 32 HA PRO 32 0.962 -5.213 -6.581 226 HB2 PRO 32 1HB PRO 32 -0.895 -6.451 -8.126 227 HB3 PRO 32 2HB PRO 32 0.836 -6.786 -8.251 228 HG2 PRO 32 1HG PRO 32 -1.293 -8.327 -6.818 229 HG3 PRO 32 2HG PRO 32 0.038 -8.928 -7.823 230 HD2 PRO 32 1HD PRO 32 0.131 -8.950 -5.117 231 HD3 PRO 32 2HD PRO 32 1.579 -8.731 -6.120 232 H VAL 33 H VAL 33 -0.956 -3.985 -7.392 233 HA VAL 33 HA VAL 33 -3.280 -4.161 -5.605 234 HB VAL 33 HB VAL 33 -3.292 -1.619 -5.558 235 HG11 VAL 33 1HG1 VAL 33 -2.780 -2.869 -3.578 236 HG12 VAL 33 2HG1 VAL 33 -1.128 -3.155 -4.128 237 HG13 VAL 33 3HG1 VAL 33 -1.644 -1.525 -3.694 238 HG21 VAL 33 3HG2 VAL 33 -1.504 -1.539 -7.402 239 HG22 VAL 33 1HG2 VAL 33 -1.365 -0.401 -6.062 240 HG23 VAL 33 2HG2 VAL 33 -0.350 -1.843 -6.104 241 H SER 34 H SER 34 -5.024 -4.400 -6.822 242 HA SER 34 HA SER 34 -5.054 -3.810 -9.610 243 HB2 SER 34 1HB SER 34 -6.428 -5.565 -8.155 244 HB3 SER 34 2HB SER 34 -7.603 -4.251 -8.124 245 HG SER 34 HG SER 34 -8.091 -5.361 -9.931 246 H ALA 35 H ALA 35 -6.778 -2.468 -10.627 247 HA ALA 35 HA ALA 35 -7.415 -0.077 -9.036 248 HB1 ALA 35 3HB ALA 35 -5.548 -0.190 -11.137 249 HB2 ALA 35 1HB ALA 35 -6.962 0.657 -11.763 250 HB3 ALA 35 2HB ALA 35 -6.159 1.240 -10.304 251 H ASP 36 H ASP 36 -9.007 1.358 -10.338 252 HA ASP 36 HA ASP 36 -11.432 0.108 -10.560 253 HB2 ASP 36 1HB ASP 36 -10.407 2.608 -11.900 254 HB3 ASP 36 2HB ASP 36 -12.083 2.084 -12.043 255 H CYS 37 H CYS 37 -8.981 0.513 -13.050 256 HA CYS 37 HA CYS 37 -10.665 -0.650 -15.100 257 HB2 CYS 37 1HB CYS 37 -8.475 -0.504 -16.440 258 HB3 CYS 37 2HB CYS 37 -9.230 1.007 -15.944 259 H ASN 38 H ASN 38 -10.030 -2.239 -12.726 260 HA ASN 38 HA ASN 38 -9.195 -4.282 -12.099 261 HB2 ASN 38 1HB ASN 38 -10.224 -4.730 -14.898 262 HB3 ASN 38 2HB ASN 38 -9.659 -6.054 -13.884 263 HD21 ASN 38 1HD2 ASN 38 -12.259 -4.098 -14.707 264 HD22 ASN 38 2HD2 ASN 38 -13.341 -4.567 -13.444 265 H HIS 39 H HIS 39 -7.086 -2.682 -12.726 266 HA HIS 39 HA HIS 39 -5.253 -4.557 -14.065 267 HB2 HIS 39 1HB HIS 39 -5.266 -1.540 -14.275 268 HB3 HIS 39 2HB HIS 39 -3.963 -2.569 -14.863 269 HD2 HIS 39 2HD HIS 39 -6.360 -4.760 -16.119 270 HE1 HIS 39 1HE HIS 39 -6.880 -1.491 -18.773 271 HE2 HIS 39 2HE HIS 39 -7.388 -3.919 -18.339 272 H SER 40 H SER 40 -3.987 -5.378 -12.538 273 HA SER 40 HA SER 40 -3.146 -3.656 -10.309 274 HB2 SER 40 1HB SER 40 -2.456 -5.909 -9.285 275 HB3 SER 40 2HB SER 40 -4.184 -5.593 -9.438 276 HG SER 40 HG SER 40 -2.568 -7.185 -11.141 277 H PHE 41 H PHE 41 -0.952 -3.700 -9.605 278 HA PHE 41 HA PHE 41 1.024 -4.869 -11.391 279 HB2 PHE 41 1HB PHE 41 1.289 -1.945 -10.760 280 HB3 PHE 41 2HB PHE 41 2.073 -2.880 -12.030 281 HD1 PHE 41 1HD PHE 41 -1.199 -1.511 -10.955 282 HD2 PHE 41 2HD PHE 41 1.168 -2.968 -14.178 283 HE1 PHE 41 1HE PHE 41 -2.925 -0.779 -12.549 284 HE2 PHE 41 2HE PHE 41 -0.553 -2.238 -15.777 285 HZ PHE 41 HZ PHE 41 -2.603 -1.142 -14.964 286 H CYS 42 H CYS 42 3.252 -4.613 -10.535 287 HA CYS 42 HA CYS 42 3.468 -5.465 -7.913 288 HB2 CYS 42 1HB CYS 42 5.593 -3.981 -9.473 289 HB3 CYS 42 2HB CYS 42 5.857 -5.069 -8.115 290 H ARG 43 H ARG 43 3.160 -4.472 -6.043 291 HA ARG 43 HA ARG 43 2.323 -2.021 -5.480 292 HB2 ARG 43 1HB ARG 43 2.901 -3.869 -3.833 293 HB3 ARG 43 2HB ARG 43 4.535 -3.221 -3.818 294 HG2 ARG 43 1HG ARG 43 3.667 -2.154 -2.005 295 HG3 ARG 43 2HG ARG 43 3.281 -0.976 -3.261 296 HD2 ARG 43 1HD ARG 43 1.028 -1.777 -3.407 297 HD3 ARG 43 2HD ARG 43 1.389 -3.129 -2.334 298 HE ARG 43 HE ARG 43 1.126 -1.730 -0.542 299 HH11 ARG 43 1HH1 ARG 43 1.476 0.174 -3.435 300 HH12 ARG 43 2HH1 ARG 43 1.095 1.672 -2.651 301 HH21 ARG 43 1HH2 ARG 43 0.624 0.235 0.501 302 HH22 ARG 43 2HH2 ARG 43 0.612 1.706 -0.412 303 H ALA 44 H ALA 44 5.669 -2.807 -6.233 304 HA ALA 44 HA ALA 44 6.613 -0.128 -5.744 305 HB1 ALA 44 3HB ALA 44 8.472 -1.553 -7.326 306 HB2 ALA 44 1HB ALA 44 8.548 -1.199 -5.599 307 HB3 ALA 44 2HB ALA 44 7.789 -2.688 -6.162 308 H CYS 45 H CYS 45 6.284 -2.160 -8.660 309 HA CYS 45 HA CYS 45 7.014 -0.362 -10.588 310 HB2 CYS 45 1HB CYS 45 4.889 -2.499 -10.618 311 HB3 CYS 45 2HB CYS 45 5.289 -1.563 -12.054 312 H ILE 46 H ILE 46 3.730 -0.789 -9.278 313 HA ILE 46 HA ILE 46 2.489 1.230 -10.752 314 HB ILE 46 HB ILE 46 1.240 -0.439 -9.454 315 HG12 ILE 46 1HG1 ILE 46 -0.338 1.285 -8.293 316 HG13 ILE 46 2HG1 ILE 46 0.748 2.486 -8.984 317 HG21 ILE 46 1HG2 ILE 46 2.195 -0.817 -7.431 318 HG22 ILE 46 2HG2 ILE 46 2.646 0.872 -7.205 319 HG23 ILE 46 3HG2 ILE 46 0.983 0.359 -6.922 320 HD11 ILE 46 3HD1 ILE 46 -0.239 0.424 -10.838 321 HD12 ILE 46 1HD1 ILE 46 -1.438 1.562 -10.223 322 HD13 ILE 46 2HD1 ILE 46 -0.012 2.157 -11.074 323 H THR 47 H THR 47 4.492 1.385 -7.908 324 HA THR 47 HA THR 47 3.767 4.031 -7.127 325 HB THR 47 HB THR 47 6.305 2.513 -6.493 326 HG1 THR 47 1HG THR 47 5.040 1.360 -5.261 327 HG21 THR 47 3HG2 THR 47 5.119 4.559 -4.690 328 HG22 THR 47 1HG2 THR 47 5.994 5.121 -6.113 329 HG23 THR 47 2HG2 THR 47 6.806 4.102 -4.925 330 H LEU 48 H LEU 48 6.722 2.749 -8.667 331 HA LEU 48 HA LEU 48 7.942 5.184 -9.204 332 HB2 LEU 48 1HB LEU 48 8.120 2.448 -10.332 333 HB3 LEU 48 2HB LEU 48 8.835 3.756 -11.271 334 HG LEU 48 HG LEU 48 10.112 4.341 -9.124 335 HD11 LEU 48 1HD1 LEU 48 10.213 2.871 -7.386 336 HD12 LEU 48 2HD1 LEU 48 9.791 1.482 -8.387 337 HD13 LEU 48 3HD1 LEU 48 8.540 2.619 -7.884 338 HD21 LEU 48 3HD2 LEU 48 11.089 1.714 -9.989 339 HD22 LEU 48 1HD2 LEU 48 11.876 3.292 -10.033 340 HD23 LEU 48 2HD2 LEU 48 10.736 2.839 -11.301 341 H ASN 49 H ASN 49 5.959 3.225 -11.432 342 HA ASN 49 HA ASN 49 5.916 4.810 -13.637 343 HB2 ASN 49 1HB ASN 49 4.745 2.712 -13.637 344 HB3 ASN 49 2HB ASN 49 3.625 3.276 -12.401 345 HD21 ASN 49 1HD2 ASN 49 4.456 3.316 -15.747 346 HD22 ASN 49 2HD2 ASN 49 3.033 4.117 -16.310 347 H TYR 50 H TYR 50 3.599 5.097 -10.940 348 HA TYR 50 HA TYR 50 2.158 7.267 -11.774 349 HB2 TYR 50 1HB TYR 50 1.362 6.379 -9.799 350 HB3 TYR 50 2HB TYR 50 2.964 6.265 -9.079 351 HD1 TYR 50 2HD TYR 50 0.926 9.079 -10.473 352 HD2 TYR 50 1HD TYR 50 3.124 7.541 -7.170 353 HE1 TYR 50 2HE TYR 50 0.512 11.163 -9.235 354 HE2 TYR 50 1HE TYR 50 2.715 9.620 -5.922 355 HH TYR 50 HH TYR 50 2.021 11.781 -6.120 356 H GLU 51 H GLU 51 5.221 7.335 -9.969 357 HA GLU 51 HA GLU 51 5.426 10.151 -9.864 358 HB2 GLU 51 1HB GLU 51 7.640 8.095 -9.756 359 HB3 GLU 51 2HB GLU 51 7.762 9.771 -9.239 360 HG2 GLU 51 1HG GLU 51 5.754 9.101 -7.687 361 HG3 GLU 51 2HG GLU 51 6.393 7.477 -7.937 362 H SER 52 H SER 52 6.686 7.743 -12.127 363 HA SER 52 HA SER 52 8.357 9.290 -13.667 364 HB2 SER 52 1HB SER 52 8.191 6.926 -14.077 365 HB3 SER 52 2HB SER 52 6.489 7.067 -14.515 366 HG SER 52 HG SER 52 7.817 6.937 -16.363 367 H ASN 53 H ASN 53 4.864 8.802 -14.174 368 HA ASN 53 HA ASN 53 4.828 11.340 -15.669 369 HB2 ASN 53 1HB ASN 53 2.960 9.034 -16.211 370 HB3 ASN 53 2HB ASN 53 3.225 10.469 -17.197 371 HD21 ASN 53 1HD2 ASN 53 4.045 7.262 -16.703 372 HD22 ASN 53 2HD2 ASN 53 5.409 7.178 -17.761 373 H ARG 54 H ARG 54 3.955 12.763 -14.293 374 HA ARG 54 HA ARG 54 1.490 11.979 -12.880 375 HB2 ARG 54 1HB ARG 54 2.791 12.481 -11.084 376 HB3 ARG 54 2HB ARG 54 3.868 13.509 -12.019 377 HG2 ARG 54 1HG ARG 54 2.462 15.365 -11.818 378 HG3 ARG 54 2HG ARG 54 1.086 14.377 -11.323 379 HD2 ARG 54 1HD ARG 54 2.498 13.761 -9.282 380 HD3 ARG 54 2HD ARG 54 3.534 15.111 -9.746 381 HE ARG 54 HE ARG 54 0.724 15.747 -9.500 382 HH11 ARG 54 1HH1 ARG 54 3.823 15.593 -7.920 383 HH12 ARG 54 2HH1 ARG 54 3.399 16.739 -6.692 384 HH21 ARG 54 1HH2 ARG 54 0.155 17.256 -7.888 385 HH22 ARG 54 2HH2 ARG 54 1.312 17.684 -6.673 386 H ASN 55 H ASN 55 -0.297 13.225 -13.103 387 HA ASN 55 HA ASN 55 -0.228 15.259 -15.175 388 HB2 ASN 55 1HB ASN 55 -2.804 15.220 -14.551 389 HB3 ASN 55 2HB ASN 55 -2.086 13.953 -15.540 390 HD21 ASN 55 1HD2 ASN 55 -2.331 11.927 -14.906 391 HD22 ASN 55 2HD2 ASN 55 -2.873 11.418 -13.346 392 H THR 56 H THR 56 -1.301 17.333 -14.886 393 HA THR 56 HA THR 56 -0.317 18.804 -12.749 394 HB THR 56 HB THR 56 -2.105 20.517 -13.417 395 HG1 THR 56 1HG THR 56 -3.501 18.858 -14.365 396 HG21 THR 56 3HG2 THR 56 -0.060 19.405 -15.320 397 HG22 THR 56 1HG2 THR 56 0.057 20.831 -14.289 398 HG23 THR 56 2HG2 THR 56 -0.999 20.847 -15.702 399 H ASP 57 H ASP 57 -3.209 16.914 -12.994 400 HA ASP 57 HA ASP 57 -4.607 18.123 -10.820 401 HB2 ASP 57 1HB ASP 57 -5.903 16.914 -12.420 402 HB3 ASP 57 2HB ASP 57 -4.912 15.470 -12.228 403 H GLY 58 H GLY 58 -2.545 15.256 -11.147 404 HA2 GLY 58 1HA GLY 58 -1.039 15.028 -9.112 405 HA3 GLY 58 2HA GLY 58 -2.544 15.020 -8.204 406 H LYS 59 H LYS 59 -3.999 13.439 -10.146 407 HA LYS 59 HA LYS 59 -3.468 10.873 -9.159 408 HB2 LYS 59 1HB LYS 59 -4.988 11.689 -11.642 409 HB3 LYS 59 2HB LYS 59 -5.039 10.091 -10.910 410 HG2 LYS 59 1HG LYS 59 -6.106 10.934 -8.957 411 HG3 LYS 59 2HG LYS 59 -5.852 12.604 -9.471 412 HD2 LYS 59 1HD LYS 59 -7.412 12.385 -11.246 413 HD3 LYS 59 2HD LYS 59 -7.485 10.631 -11.056 414 HE2 LYS 59 1HE LYS 59 -9.471 11.575 -10.107 415 HE3 LYS 59 2HE LYS 59 -8.457 10.984 -8.792 416 HZ1 LYS 59 3HZ LYS 59 -9.555 13.391 -8.802 417 HZ2 LYS 59 1HZ LYS 59 -8.088 13.766 -9.556 418 HZ3 LYS 59 2HZ LYS 59 -8.093 13.056 -8.021 419 H GLY 60 H GLY 60 -3.289 8.983 -10.921 420 HA2 GLY 60 1HA GLY 60 -0.925 9.605 -12.582 421 HA3 GLY 60 2HA GLY 60 -1.024 8.146 -11.607 422 H ASN 61 H ASN 61 -0.532 8.093 -14.352 423 HA ASN 61 HA ASN 61 -3.068 7.260 -15.558 424 HB2 ASN 61 1HB ASN 61 -1.495 7.026 -17.628 425 HB3 ASN 61 2HB ASN 61 -1.974 8.631 -17.085 426 HD21 ASN 61 1HD2 ASN 61 -0.191 9.638 -17.944 427 HD22 ASN 61 2HD2 ASN 61 1.398 9.446 -17.294 428 H CYS 62 H CYS 62 -3.186 5.234 -16.719 429 HA CYS 62 HA CYS 62 -1.849 3.108 -15.264 430 HB2 CYS 62 1HB CYS 62 -4.385 3.322 -16.131 431 HB3 CYS 62 2HB CYS 62 -3.687 2.477 -17.509 432 HA PRO 63 HA PRO 63 1.264 2.648 -18.396 433 HB2 PRO 63 1HB PRO 63 2.374 0.384 -17.389 434 HB3 PRO 63 2HB PRO 63 2.652 1.984 -16.690 435 HG2 PRO 63 1HG PRO 63 0.761 -0.165 -15.813 436 HG3 PRO 63 2HG PRO 63 1.816 0.867 -14.829 437 HD2 PRO 63 1HD PRO 63 -0.832 1.349 -15.122 438 HD3 PRO 63 2HD PRO 63 0.357 2.650 -14.910 439 H VAL 64 H VAL 64 -1.557 1.151 -18.296 440 HA VAL 64 HA VAL 64 -0.837 -0.725 -20.445 441 HB VAL 64 HB VAL 64 -2.805 -2.142 -19.607 442 HG11 VAL 64 1HG1 VAL 64 -0.315 -2.641 -19.442 443 HG12 VAL 64 2HG1 VAL 64 -0.432 -2.111 -17.763 444 HG13 VAL 64 3HG1 VAL 64 -1.375 -3.494 -18.321 445 HG21 VAL 64 3HG2 VAL 64 -3.940 -1.253 -17.899 446 HG22 VAL 64 1HG2 VAL 64 -2.583 -1.752 -16.889 447 HG23 VAL 64 2HG2 VAL 64 -2.650 -0.109 -17.528 448 H CYS 65 H CYS 65 -3.497 1.042 -18.880 449 HA CYS 65 HA CYS 65 -4.790 1.275 -21.517 450 HB2 CYS 65 1HB CYS 65 -6.899 1.592 -20.330 451 HB3 CYS 65 2HB CYS 65 -6.139 0.083 -19.833 452 H ARG 66 H ARG 66 -3.052 2.961 -19.218 453 HA ARG 66 HA ARG 66 -2.644 5.165 -18.809 454 HB2 ARG 66 1HB ARG 66 -3.620 5.368 -21.662 455 HB3 ARG 66 2HB ARG 66 -2.820 6.670 -20.792 456 HG2 ARG 66 1HG ARG 66 -1.550 3.980 -21.200 457 HG3 ARG 66 2HG ARG 66 -1.386 5.302 -22.357 458 HD2 ARG 66 1HD ARG 66 -0.727 5.653 -19.449 459 HD3 ARG 66 2HD ARG 66 0.451 5.014 -20.594 460 HE ARG 66 HE ARG 66 -0.335 7.731 -20.296 461 HH11 ARG 66 1HH1 ARG 66 0.679 5.369 -22.644 462 HH12 ARG 66 2HH1 ARG 66 1.348 6.543 -23.728 463 HH21 ARG 66 1HH2 ARG 66 0.543 9.286 -21.715 464 HH22 ARG 66 2HH2 ARG 66 1.271 8.770 -23.198 465 H VAL 67 H VAL 67 -5.012 4.364 -17.720 466 HA VAL 67 HA VAL 67 -6.947 6.479 -18.354 467 HB VAL 67 HB VAL 67 -7.283 3.996 -16.666 468 HG11 VAL 67 1HG1 VAL 67 -9.505 5.775 -17.598 469 HG12 VAL 67 2HG1 VAL 67 -9.502 4.585 -16.296 470 HG13 VAL 67 3HG1 VAL 67 -8.644 6.113 -16.097 471 HG21 VAL 67 3HG2 VAL 67 -7.065 3.855 -19.248 472 HG22 VAL 67 1HG2 VAL 67 -8.386 3.004 -18.445 473 HG23 VAL 67 2HG2 VAL 67 -8.689 4.544 -19.250 474 HA PRO 68 HA PRO 68 -5.773 8.741 -14.752 475 HB2 PRO 68 1HB PRO 68 -7.994 10.285 -14.527 476 HB3 PRO 68 2HB PRO 68 -6.760 10.552 -15.763 477 HG2 PRO 68 1HG PRO 68 -9.397 9.154 -15.991 478 HG3 PRO 68 2HG PRO 68 -8.636 10.298 -17.113 479 HD2 PRO 68 1HD PRO 68 -8.590 7.620 -17.509 480 HD3 PRO 68 2HD PRO 68 -7.268 8.685 -18.028 481 H TYR 69 H TYR 69 -5.729 7.447 -12.976 482 HA TYR 69 HA TYR 69 -8.304 6.933 -11.637 483 HB2 TYR 69 1HB TYR 69 -7.337 4.871 -10.720 484 HB3 TYR 69 2HB TYR 69 -7.341 4.843 -12.480 485 HD1 TYR 69 1HD TYR 69 -5.182 5.359 -9.513 486 HD2 TYR 69 2HD TYR 69 -5.331 4.596 -13.696 487 HE1 TYR 69 1HE TYR 69 -2.771 4.872 -9.504 488 HE2 TYR 69 2HE TYR 69 -2.921 4.106 -13.699 489 HH TYR 69 HH TYR 69 -1.098 3.831 -10.745 490 HA PRO 70 HA PRO 70 -6.718 9.164 -8.196 491 HB2 PRO 70 1HB PRO 70 -8.181 8.035 -6.207 492 HB3 PRO 70 2HB PRO 70 -8.868 9.158 -7.386 493 HG2 PRO 70 1HG PRO 70 -8.979 6.167 -7.332 494 HG3 PRO 70 2HG PRO 70 -10.266 7.328 -7.707 495 HD2 PRO 70 1HD PRO 70 -8.895 6.000 -9.628 496 HD3 PRO 70 2HD PRO 70 -9.523 7.643 -9.867 497 H PHE 71 H PHE 71 -5.005 8.991 -6.872 498 HA PHE 71 HA PHE 71 -3.743 6.418 -6.549 499 HB2 PHE 71 1HB PHE 71 -2.560 8.645 -7.014 500 HB3 PHE 71 2HB PHE 71 -2.823 9.007 -5.311 501 HD1 PHE 71 1HD PHE 71 -1.397 6.367 -7.516 502 HD2 PHE 71 2HD PHE 71 -1.232 8.377 -3.768 503 HE1 PHE 71 1HE PHE 71 0.646 5.122 -6.942 504 HE2 PHE 71 2HE PHE 71 0.811 7.136 -3.188 505 HZ PHE 71 HZ PHE 71 1.754 5.506 -4.777 506 H GLY 72 H GLY 72 -6.212 6.500 -5.242 507 HA2 GLY 72 1HA GLY 72 -5.349 5.871 -2.541 508 HA3 GLY 72 2HA GLY 72 -6.504 7.189 -2.670 509 H ASN 73 H ASN 73 -6.856 4.829 -5.085 510 HA ASN 73 HA ASN 73 -9.139 3.673 -3.627 511 HB2 ASN 73 1HB ASN 73 -8.734 4.357 -6.522 512 HB3 ASN 73 2HB ASN 73 -9.899 3.120 -6.060 513 HD21 ASN 73 1HD2 ASN 73 -11.257 4.802 -7.195 514 HD22 ASN 73 2HD2 ASN 73 -11.972 6.018 -6.197 515 H LEU 74 H LEU 74 -6.331 2.990 -5.601 516 HA LEU 74 HA LEU 74 -6.499 0.458 -6.409 517 HB2 LEU 74 1HB LEU 74 -4.201 1.446 -4.727 518 HB3 LEU 74 2HB LEU 74 -4.153 0.135 -5.904 519 HG LEU 74 HG LEU 74 -4.749 2.990 -6.654 520 HD11 LEU 74 1HD1 LEU 74 -2.393 2.275 -5.574 521 HD12 LEU 74 2HD1 LEU 74 -2.561 3.494 -6.837 522 HD13 LEU 74 3HD1 LEU 74 -2.103 1.844 -7.259 523 HD21 LEU 74 3HD2 LEU 74 -3.557 0.956 -8.466 524 HD22 LEU 74 1HD2 LEU 74 -4.630 2.308 -8.829 525 HD23 LEU 74 2HD2 LEU 74 -5.278 0.842 -8.094 526 H LYS 75 H LYS 75 -6.780 -1.548 -5.624 527 HA LYS 75 HA LYS 75 -7.072 -1.822 -2.709 528 HB2 LYS 75 1HB LYS 75 -8.626 -3.581 -3.098 529 HB3 LYS 75 2HB LYS 75 -9.069 -2.271 -4.184 530 HG2 LYS 75 1HG LYS 75 -7.679 -3.508 -5.941 531 HG3 LYS 75 2HG LYS 75 -7.754 -4.883 -4.836 532 HD2 LYS 75 1HD LYS 75 -9.604 -5.304 -6.114 533 HD3 LYS 75 2HD LYS 75 -10.332 -4.307 -4.852 534 HE2 LYS 75 1HE LYS 75 -9.930 -2.323 -6.356 535 HE3 LYS 75 2HE LYS 75 -9.506 -3.472 -7.624 536 HZ1 LYS 75 3HZ LYS 75 -12.118 -3.279 -6.225 537 HZ2 LYS 75 1HZ LYS 75 -11.719 -4.470 -7.360 538 HZ3 LYS 75 2HZ LYS 75 -11.801 -2.847 -7.830 539 HA PRO 76 HA PRO 76 -3.534 -4.452 -2.618 540 HB2 PRO 76 1HB PRO 76 -4.031 -5.709 -0.264 541 HB3 PRO 76 2HB PRO 76 -3.476 -4.033 -0.360 542 HG2 PRO 76 1HG PRO 76 -6.248 -5.090 0.040 543 HG3 PRO 76 2HG PRO 76 -5.436 -3.742 0.857 544 HD2 PRO 76 1HD PRO 76 -7.208 -3.371 -1.157 545 HD3 PRO 76 2HD PRO 76 -5.830 -2.285 -0.885 546 H ASN 77 H ASN 77 -3.339 -6.167 -3.909 547 HA ASN 77 HA ASN 77 -5.437 -8.157 -4.077 548 HB2 ASN 77 1HB ASN 77 -4.309 -7.338 -6.118 549 HB3 ASN 77 2HB ASN 77 -2.787 -8.002 -5.531 550 HD21 ASN 77 1HD2 ASN 77 -2.937 -9.100 -7.649 551 HD22 ASN 77 2HD2 ASN 77 -3.777 -10.609 -7.718 552 H LEU 78 H LEU 78 -5.430 -9.370 -2.231 553 HA LEU 78 HA LEU 78 -2.918 -10.705 -1.491 554 HB2 LEU 78 1HB LEU 78 -5.336 -9.868 0.009 555 HB3 LEU 78 2HB LEU 78 -4.518 -11.336 0.541 556 HG LEU 78 HG LEU 78 -2.430 -10.018 0.801 557 HD11 LEU 78 1HD1 LEU 78 -3.523 -8.196 -0.818 558 HD12 LEU 78 2HD1 LEU 78 -2.260 -7.808 0.349 559 HD13 LEU 78 3HD1 LEU 78 -3.950 -7.483 0.737 560 HD21 LEU 78 3HD2 LEU 78 -3.726 -10.430 2.756 561 HD22 LEU 78 1HD2 LEU 78 -4.873 -9.157 2.339 562 HD23 LEU 78 2HD2 LEU 78 -3.224 -8.740 2.806 563 H HIS 79 H HIS 79 -6.403 -11.480 -1.454 564 HA HIS 79 HA HIS 79 -5.930 -14.286 -1.654 565 HB2 HIS 79 1HB HIS 79 -8.484 -14.242 -2.200 566 HB3 HIS 79 2HB HIS 79 -7.934 -13.808 -0.584 567 HD2 HIS 79 2HD HIS 79 -7.991 -11.290 -3.613 568 HE1 HIS 79 1HE HIS 79 -10.666 -9.937 -0.611 569 HE2 HIS 79 2HE HIS 79 -9.652 -9.454 -2.865 570 H VAL 80 H VAL 80 -4.592 -14.425 -3.528 571 HA VAL 80 HA VAL 80 -6.155 -14.563 -5.994 572 HB VAL 80 HB VAL 80 -5.102 -12.403 -6.182 573 HG11 VAL 80 1HG1 VAL 80 -2.431 -13.739 -5.802 574 HG12 VAL 80 2HG1 VAL 80 -2.769 -12.013 -5.937 575 HG13 VAL 80 3HG1 VAL 80 -3.295 -12.906 -4.510 576 HG21 VAL 80 3HG2 VAL 80 -5.138 -14.055 -8.136 577 HG22 VAL 80 1HG2 VAL 80 -4.073 -12.656 -8.270 578 HG23 VAL 80 2HG2 VAL 80 -3.406 -14.234 -7.852 579 H ALA 81 H ALA 81 -5.884 -16.497 -6.874 580 HA ALA 81 HA ALA 81 -3.286 -17.717 -7.081 581 HB1 ALA 81 3HB ALA 81 -3.365 -19.045 -5.307 582 HB2 ALA 81 1HB ALA 81 -4.947 -18.398 -4.867 583 HB3 ALA 81 2HB ALA 81 -4.831 -19.791 -5.944 584 H ASN 82 H ASN 82 -3.170 -18.908 -8.888 585 HA ASN 82 HA ASN 82 -5.050 -18.917 -10.857 586 HB2 ASN 82 1HB ASN 82 -3.098 -21.176 -10.363 587 HB3 ASN 82 2HB ASN 82 -3.829 -20.738 -11.904 588 HD21 ASN 82 1HD2 ASN 82 -1.218 -20.903 -11.941 589 HD22 ASN 82 2HD2 ASN 82 -0.465 -19.348 -11.948 590 H ILE 83 H ILE 83 -4.691 -21.284 -8.264 591 HA ILE 83 HA ILE 83 -7.178 -22.581 -9.160 592 HB ILE 83 HB ILE 83 -5.039 -23.658 -7.319 593 HG12 ILE 83 1HG1 ILE 83 -4.328 -23.543 -9.671 594 HG13 ILE 83 2HG1 ILE 83 -4.543 -25.210 -9.150 595 HG21 ILE 83 1HG2 ILE 83 -7.778 -24.483 -7.864 596 HG22 ILE 83 2HG2 ILE 83 -6.600 -25.766 -8.138 597 HG23 ILE 83 3HG2 ILE 83 -6.685 -24.968 -6.568 598 HD11 ILE 83 3HD1 ILE 83 -6.041 -23.633 -11.141 599 HD12 ILE 83 1HD1 ILE 83 -5.608 -25.342 -11.132 600 HD13 ILE 83 2HD1 ILE 83 -6.968 -24.771 -10.164 601 H VAL 84 H VAL 84 -8.955 -22.424 -7.949 602 HA VAL 84 HA VAL 84 -8.769 -21.905 -5.095 603 HB VAL 84 HB VAL 84 -10.323 -19.991 -5.186 604 HG11 VAL 84 1HG1 VAL 84 -7.725 -19.662 -6.678 605 HG12 VAL 84 2HG1 VAL 84 -8.682 -18.325 -6.038 606 HG13 VAL 84 3HG1 VAL 84 -7.985 -19.516 -4.940 607 HG21 VAL 84 3HG2 VAL 84 -9.920 -20.272 -8.156 608 HG22 VAL 84 1HG2 VAL 84 -11.436 -20.312 -7.257 609 HG23 VAL 84 2HG2 VAL 84 -10.535 -18.803 -7.399 610 H GLU 85 H GLU 85 -10.894 -22.043 -4.023 611 HA GLU 85 HA GLU 85 -12.427 -24.206 -5.148 612 HB2 GLU 85 1HB GLU 85 -11.782 -23.718 -2.642 613 HB3 GLU 85 2HB GLU 85 -13.252 -22.754 -2.667 614 HG2 GLU 85 1HG GLU 85 -13.376 -25.541 -3.684 615 HG3 GLU 85 2HG GLU 85 -13.268 -25.281 -1.944 Start of MODEL 14 1 H1 GLY 1 H GLY 1 33.804 2.349 9.577 2 HA2 GLY 1 1HA GLY 1 35.331 0.590 7.762 3 HA3 GLY 1 2HA GLY 1 34.149 -0.062 8.888 4 H SER 2 H SER 2 32.914 -0.966 7.224 5 HA SER 2 HA SER 2 30.866 0.686 6.201 6 HB2 SER 2 1HB SER 2 32.756 1.301 4.648 7 HB3 SER 2 2HB SER 2 32.747 -0.368 4.080 8 HG SER 2 HG SER 2 30.406 0.072 3.677 9 H SER 3 H SER 3 29.191 -0.501 5.210 10 HA SER 3 HA SER 3 29.454 -3.276 4.595 11 HB2 SER 3 1HB SER 3 28.255 -4.254 6.396 12 HB3 SER 3 2HB SER 3 29.459 -3.207 7.148 13 HG SER 3 HG SER 3 27.821 -1.635 7.401 14 H GLY 4 H GLY 4 27.434 -4.230 3.873 15 HA2 GLY 4 1HA GLY 4 25.079 -2.589 3.675 16 HA3 GLY 4 2HA GLY 4 25.959 -2.708 2.159 17 H SER 5 H SER 5 23.378 -3.609 2.324 18 HA SER 5 HA SER 5 23.766 -6.494 1.959 19 HB2 SER 5 1HB SER 5 22.670 -5.885 4.213 20 HB3 SER 5 2HB SER 5 21.263 -5.427 3.254 21 HG SER 5 HG SER 5 21.470 -7.621 2.329 22 H SER 6 H SER 6 23.459 -6.735 -0.159 23 HA SER 6 HA SER 6 20.930 -6.377 -1.342 24 HB2 SER 6 1HB SER 6 21.293 -4.555 -2.849 25 HB3 SER 6 2HB SER 6 21.725 -3.974 -1.241 26 HG SER 6 HG SER 6 23.793 -3.914 -1.795 27 H GLY 7 H GLY 7 20.804 -7.918 -2.830 28 HA2 GLY 7 1HA GLY 7 22.430 -8.339 -4.998 29 HA3 GLY 7 2HA GLY 7 23.154 -9.300 -3.717 30 H MET 8 H MET 8 21.155 -9.481 -6.281 31 HA MET 8 HA MET 8 19.979 -11.962 -5.312 32 HB2 MET 8 1HB MET 8 18.346 -9.688 -6.448 33 HB3 MET 8 2HB MET 8 17.749 -11.333 -6.268 34 HG2 MET 8 1HG MET 8 18.823 -9.781 -3.941 35 HG3 MET 8 2HG MET 8 17.146 -9.641 -4.464 36 HE1 MET 8 3HE MET 8 16.195 -10.109 -2.536 37 HE2 MET 8 1HE MET 8 15.697 -11.736 -2.069 38 HE3 MET 8 2HE MET 8 17.104 -10.993 -1.309 39 H ALA 9 H ALA 9 20.262 -13.498 -6.784 40 HA ALA 9 HA ALA 9 19.873 -13.046 -9.584 41 HB1 ALA 9 3HB ALA 9 21.971 -12.269 -9.917 42 HB2 ALA 9 1HB ALA 9 22.607 -13.042 -8.465 43 HB3 ALA 9 2HB ALA 9 22.355 -13.990 -9.930 44 H SER 10 H SER 10 18.982 -14.848 -10.328 45 HA SER 10 HA SER 10 20.067 -17.438 -9.832 46 HB2 SER 10 1HB SER 10 18.036 -18.368 -8.703 47 HB3 SER 10 2HB SER 10 18.938 -17.230 -7.702 48 HG SER 10 HG SER 10 17.338 -15.828 -7.823 49 H SER 11 H SER 11 18.888 -19.133 -10.971 50 HA SER 11 HA SER 11 18.220 -18.518 -13.550 51 HB2 SER 11 1HB SER 11 17.442 -20.735 -13.792 52 HB3 SER 11 2HB SER 11 18.622 -20.823 -12.484 53 HG SER 11 HG SER 11 16.139 -21.614 -12.404 54 H VAL 12 H VAL 12 16.547 -17.617 -14.557 55 HA VAL 12 HA VAL 12 14.093 -17.134 -13.009 56 HB VAL 12 HB VAL 12 15.142 -15.699 -15.453 57 HG11 VAL 12 1HG1 VAL 12 12.576 -15.508 -13.938 58 HG12 VAL 12 2HG1 VAL 12 13.260 -14.063 -14.685 59 HG13 VAL 12 3HG1 VAL 12 12.859 -15.466 -15.677 60 HG21 VAL 12 3HG2 VAL 12 14.741 -14.157 -13.019 61 HG22 VAL 12 1HG2 VAL 12 15.933 -15.443 -12.825 62 HG23 VAL 12 2HG2 VAL 12 16.138 -14.234 -14.092 63 H LEU 13 H LEU 13 12.083 -17.622 -13.841 64 HA LEU 13 HA LEU 13 11.883 -18.827 -16.482 65 HB2 LEU 13 1HB LEU 13 11.270 -20.281 -13.922 66 HB3 LEU 13 2HB LEU 13 10.605 -20.769 -15.480 67 HG LEU 13 HG LEU 13 13.568 -20.557 -15.039 68 HD11 LEU 13 1HD1 LEU 13 11.776 -22.902 -14.437 69 HD12 LEU 13 2HD1 LEU 13 12.820 -22.037 -13.310 70 HD13 LEU 13 3HD1 LEU 13 13.529 -23.002 -14.604 71 HD21 LEU 13 3HD2 LEU 13 11.808 -22.045 -16.980 72 HD22 LEU 13 1HD2 LEU 13 13.551 -22.275 -16.847 73 HD23 LEU 13 2HD2 LEU 13 12.903 -20.708 -17.332 74 H GLU 14 H GLU 14 9.675 -19.091 -17.202 75 HA GLU 14 HA GLU 14 7.651 -17.712 -15.599 76 HB2 GLU 14 1HB GLU 14 8.500 -16.957 -18.390 77 HB3 GLU 14 2HB GLU 14 6.927 -16.518 -17.737 78 HG2 GLU 14 1HG GLU 14 8.095 -14.634 -17.243 79 HG3 GLU 14 2HG GLU 14 8.379 -15.558 -15.768 80 H MET 15 H MET 15 6.030 -19.100 -15.409 81 HA MET 15 HA MET 15 5.636 -21.274 -17.216 82 HB2 MET 15 1HB MET 15 3.654 -21.770 -15.828 83 HB3 MET 15 2HB MET 15 5.104 -21.531 -14.862 84 HG2 MET 15 1HG MET 15 3.648 -20.300 -13.642 85 HG3 MET 15 2HG MET 15 4.195 -19.055 -14.762 86 HE1 MET 15 3HE MET 15 2.049 -22.039 -14.652 87 HE2 MET 15 1HE MET 15 0.530 -21.300 -14.141 88 HE3 MET 15 2HE MET 15 0.787 -21.705 -15.839 89 H ILE 16 H ILE 16 3.046 -21.594 -17.694 90 HA ILE 16 HA ILE 16 2.532 -19.970 -19.914 91 HB ILE 16 HB ILE 16 0.573 -21.647 -18.341 92 HG12 ILE 16 1HG1 ILE 16 2.522 -22.906 -19.194 93 HG13 ILE 16 2HG1 ILE 16 1.028 -23.380 -19.996 94 HG21 ILE 16 1HG2 ILE 16 0.261 -21.015 -21.235 95 HG22 ILE 16 2HG2 ILE 16 -0.962 -21.414 -20.030 96 HG23 ILE 16 3HG2 ILE 16 -0.222 -19.813 -20.038 97 HD11 ILE 16 3HD1 ILE 16 1.882 -22.893 -21.974 98 HD12 ILE 16 1HD1 ILE 16 2.297 -21.261 -21.450 99 HD13 ILE 16 2HD1 ILE 16 3.427 -22.589 -21.180 100 H LYS 17 H LYS 17 2.398 -17.808 -19.590 101 HA LYS 17 HA LYS 17 0.528 -16.809 -17.562 102 HB2 LYS 17 1HB LYS 17 2.701 -15.412 -19.130 103 HB3 LYS 17 2HB LYS 17 1.611 -14.598 -18.017 104 HG2 LYS 17 1HG LYS 17 3.480 -16.829 -17.247 105 HG3 LYS 17 2HG LYS 17 3.826 -15.109 -17.047 106 HD2 LYS 17 1HD LYS 17 1.950 -14.865 -15.544 107 HD3 LYS 17 2HD LYS 17 1.470 -16.542 -15.820 108 HE2 LYS 17 1HE LYS 17 3.859 -17.096 -14.974 109 HE3 LYS 17 2HE LYS 17 3.818 -15.465 -14.306 110 HZ1 LYS 17 3HZ LYS 17 2.890 -16.499 -12.563 111 HZ2 LYS 17 1HZ LYS 17 2.399 -17.844 -13.464 112 HZ3 LYS 17 2HZ LYS 17 1.469 -16.431 -13.479 113 H GLU 18 H GLU 18 -1.442 -16.253 -18.190 114 HA GLU 18 HA GLU 18 -1.834 -15.376 -20.976 115 HB2 GLU 18 1HB GLU 18 -3.482 -17.119 -19.191 116 HB3 GLU 18 2HB GLU 18 -4.288 -16.146 -20.413 117 HG2 GLU 18 1HG GLU 18 -3.278 -17.281 -22.167 118 HG3 GLU 18 2HG GLU 18 -1.991 -17.915 -21.143 119 H GLU 19 H GLU 19 -1.350 -13.206 -20.229 120 HA GLU 19 HA GLU 19 -1.979 -11.094 -19.666 121 HB2 GLU 19 1HB GLU 19 -4.581 -12.483 -20.041 122 HB3 GLU 19 2HB GLU 19 -4.611 -10.928 -19.222 123 HG2 GLU 19 1HG GLU 19 -3.192 -11.258 -21.834 124 HG3 GLU 19 2HG GLU 19 -4.934 -11.001 -21.770 125 H VAL 20 H VAL 20 -1.120 -12.913 -17.629 126 HA VAL 20 HA VAL 20 -2.511 -11.746 -15.306 127 HB VAL 20 HB VAL 20 -1.861 -13.814 -14.041 128 HG11 VAL 20 1HG1 VAL 20 -3.846 -13.796 -16.269 129 HG12 VAL 20 2HG1 VAL 20 -3.624 -15.264 -15.314 130 HG13 VAL 20 3HG1 VAL 20 -4.110 -13.763 -14.526 131 HG21 VAL 20 3HG2 VAL 20 -0.692 -15.473 -14.969 132 HG22 VAL 20 1HG2 VAL 20 -1.714 -15.490 -16.406 133 HG23 VAL 20 2HG2 VAL 20 -0.361 -14.364 -16.299 134 H THR 21 H THR 21 -0.089 -10.921 -16.839 135 HA THR 21 HA THR 21 1.827 -10.981 -14.599 136 HB THR 21 HB THR 21 2.606 -10.758 -17.508 137 HG1 THR 21 1HG THR 21 2.785 -13.063 -15.841 138 HG21 THR 21 3HG2 THR 21 4.840 -11.392 -16.595 139 HG22 THR 21 1HG2 THR 21 4.169 -11.246 -14.972 140 HG23 THR 21 2HG2 THR 21 4.254 -9.831 -16.021 141 H CYS 22 H CYS 22 3.153 -9.095 -14.344 142 HA CYS 22 HA CYS 22 1.761 -6.682 -14.499 143 HB2 CYS 22 1HB CYS 22 3.791 -7.348 -13.032 144 HB3 CYS 22 2HB CYS 22 4.763 -6.795 -14.392 145 HA PRO 23 HA PRO 23 2.351 -5.780 -18.826 146 HB2 PRO 23 1HB PRO 23 1.021 -3.414 -18.790 147 HB3 PRO 23 2HB PRO 23 0.198 -4.978 -18.795 148 HG2 PRO 23 1HG PRO 23 0.773 -3.148 -16.497 149 HG3 PRO 23 2HG PRO 23 -0.708 -4.050 -16.865 150 HD2 PRO 23 1HD PRO 23 1.092 -4.893 -15.027 151 HD3 PRO 23 2HD PRO 23 0.126 -6.018 -16.004 152 H ILE 24 H ILE 24 3.931 -4.544 -16.255 153 HA ILE 24 HA ILE 24 5.225 -2.409 -17.817 154 HB ILE 24 HB ILE 24 5.071 -2.781 -14.826 155 HG12 ILE 24 1HG1 ILE 24 4.190 -0.346 -16.332 156 HG13 ILE 24 2HG1 ILE 24 3.143 -1.761 -16.294 157 HG21 ILE 24 1HG2 ILE 24 7.139 -1.854 -14.928 158 HG22 ILE 24 2HG2 ILE 24 6.861 -1.140 -16.516 159 HG23 ILE 24 3HG2 ILE 24 6.191 -0.374 -15.076 160 HD11 ILE 24 3HD1 ILE 24 2.407 -1.198 -14.292 161 HD12 ILE 24 1HD1 ILE 24 4.049 -1.189 -13.650 162 HD13 ILE 24 2HD1 ILE 24 3.378 0.271 -14.377 163 H CYS 25 H CYS 25 6.172 -4.511 -15.096 164 HA CYS 25 HA CYS 25 8.861 -4.705 -16.127 165 HB2 CYS 25 1HB CYS 25 9.230 -6.142 -14.106 166 HB3 CYS 25 2HB CYS 25 8.617 -4.532 -13.743 167 H LEU 26 H LEU 26 5.968 -6.624 -16.127 168 HA LEU 26 HA LEU 26 5.416 -8.535 -17.235 169 HB2 LEU 26 1HB LEU 26 8.175 -8.453 -18.434 170 HB3 LEU 26 2HB LEU 26 6.759 -9.298 -19.056 171 HG LEU 26 HG LEU 26 6.959 -6.297 -18.874 172 HD11 LEU 26 1HD1 LEU 26 8.101 -6.208 -20.779 173 HD12 LEU 26 2HD1 LEU 26 7.074 -7.425 -21.536 174 HD13 LEU 26 3HD1 LEU 26 8.449 -7.922 -20.550 175 HD21 LEU 26 3HD2 LEU 26 5.058 -8.186 -20.248 176 HD22 LEU 26 1HD2 LEU 26 5.125 -6.453 -20.567 177 HD23 LEU 26 2HD2 LEU 26 4.694 -7.038 -18.959 178 H GLU 27 H GLU 27 6.142 -8.869 -14.681 179 HA GLU 27 HA GLU 27 7.292 -11.531 -14.714 180 HB2 GLU 27 1HB GLU 27 9.038 -11.141 -13.179 181 HB3 GLU 27 2HB GLU 27 9.185 -9.861 -14.375 182 HG2 GLU 27 1HG GLU 27 8.603 -8.229 -12.910 183 HG3 GLU 27 2HG GLU 27 7.563 -9.292 -11.965 184 H LEU 28 H LEU 28 7.068 -12.613 -12.583 185 HA LEU 28 HA LEU 28 4.599 -12.813 -11.623 186 HB2 LEU 28 1HB LEU 28 7.237 -13.095 -10.296 187 HB3 LEU 28 2HB LEU 28 5.804 -13.129 -9.271 188 HG LEU 28 HG LEU 28 6.320 -14.990 -11.590 189 HD11 LEU 28 1HD1 LEU 28 6.567 -16.682 -9.744 190 HD12 LEU 28 2HD1 LEU 28 6.690 -15.326 -8.624 191 HD13 LEU 28 3HD1 LEU 28 7.890 -15.526 -9.901 192 HD21 LEU 28 3HD2 LEU 28 3.919 -14.296 -10.465 193 HD22 LEU 28 1HD2 LEU 28 4.372 -15.734 -9.548 194 HD23 LEU 28 2HD2 LEU 28 4.259 -15.809 -11.307 195 H LEU 29 H LEU 29 3.136 -11.412 -10.931 196 HA LEU 29 HA LEU 29 3.699 -8.775 -10.153 197 HB2 LEU 29 1HB LEU 29 1.264 -10.506 -9.830 198 HB3 LEU 29 2HB LEU 29 1.305 -8.827 -9.299 199 HG LEU 29 HG LEU 29 2.024 -9.429 -12.124 200 HD11 LEU 29 1HD1 LEU 29 -0.831 -9.254 -11.183 201 HD12 LEU 29 2HD1 LEU 29 -0.026 -10.759 -11.624 202 HD13 LEU 29 3HD1 LEU 29 -0.255 -9.495 -12.832 203 HD21 LEU 29 3HD2 LEU 29 1.196 -7.158 -10.486 204 HD22 LEU 29 1HD2 LEU 29 0.346 -7.268 -12.027 205 HD23 LEU 29 2HD2 LEU 29 2.108 -7.198 -11.996 206 H LYS 30 H LYS 30 4.761 -8.205 -8.378 207 HA LYS 30 HA LYS 30 4.451 -9.790 -5.935 208 HB2 LYS 30 1HB LYS 30 6.441 -7.636 -6.669 209 HB3 LYS 30 2HB LYS 30 6.407 -8.477 -5.125 210 HG2 LYS 30 1HG LYS 30 7.167 -10.452 -6.028 211 HG3 LYS 30 2HG LYS 30 6.604 -10.049 -7.652 212 HD2 LYS 30 1HD LYS 30 8.967 -9.879 -7.702 213 HD3 LYS 30 2HD LYS 30 8.352 -8.225 -7.672 214 HE2 LYS 30 1HE LYS 30 10.189 -8.365 -6.145 215 HE3 LYS 30 2HE LYS 30 8.705 -8.212 -5.205 216 HZ1 LYS 30 3HZ LYS 30 8.904 -10.845 -5.324 217 HZ2 LYS 30 1HZ LYS 30 9.624 -9.930 -4.097 218 HZ3 LYS 30 2HZ LYS 30 10.547 -10.455 -5.413 219 H GLU 31 H GLU 31 3.071 -9.140 -4.432 220 HA GLU 31 HA GLU 31 1.527 -7.836 -3.351 221 HB2 GLU 31 1HB GLU 31 2.544 -5.781 -2.336 222 HB3 GLU 31 2HB GLU 31 3.461 -7.257 -2.072 223 HG2 GLU 31 1HG GLU 31 4.991 -6.633 -3.869 224 HG3 GLU 31 2HG GLU 31 4.071 -5.153 -4.136 225 HA PRO 32 HA PRO 32 0.851 -5.137 -7.182 226 HB2 PRO 32 1HB PRO 32 -1.196 -6.569 -8.243 227 HB3 PRO 32 2HB PRO 32 0.498 -6.875 -8.642 228 HG2 PRO 32 1HG PRO 32 -1.281 -8.310 -6.709 229 HG3 PRO 32 2HG PRO 32 -0.124 -8.980 -7.872 230 HD2 PRO 32 1HD PRO 32 0.444 -8.721 -5.237 231 HD3 PRO 32 2HD PRO 32 1.683 -8.574 -6.500 232 H VAL 33 H VAL 33 -1.028 -3.832 -7.593 233 HA VAL 33 HA VAL 33 -3.106 -3.980 -5.513 234 HB VAL 33 HB VAL 33 -3.112 -1.538 -5.330 235 HG11 VAL 33 1HG1 VAL 33 -1.482 -3.205 -4.054 236 HG12 VAL 33 2HG1 VAL 33 -0.264 -2.200 -4.841 237 HG13 VAL 33 3HG1 VAL 33 -1.458 -1.465 -3.771 238 HG21 VAL 33 3HG2 VAL 33 -2.217 -0.321 -6.962 239 HG22 VAL 33 1HG2 VAL 33 -0.623 -0.798 -6.377 240 HG23 VAL 33 2HG2 VAL 33 -1.414 -1.736 -7.643 241 H SER 34 H SER 34 -5.013 -4.250 -6.447 242 HA SER 34 HA SER 34 -5.500 -3.911 -9.196 243 HB2 SER 34 1HB SER 34 -7.557 -4.020 -6.978 244 HB3 SER 34 2HB SER 34 -7.821 -4.395 -8.681 245 HG SER 34 HG SER 34 -7.508 -6.279 -7.409 246 H ALA 35 H ALA 35 -6.766 -2.390 -10.312 247 HA ALA 35 HA ALA 35 -7.190 0.167 -8.911 248 HB1 ALA 35 3HB ALA 35 -6.450 0.215 -11.787 249 HB2 ALA 35 1HB ALA 35 -6.126 1.391 -10.512 250 HB3 ALA 35 2HB ALA 35 -5.176 -0.092 -10.606 251 H ASP 36 H ASP 36 -8.584 1.664 -10.380 252 HA ASP 36 HA ASP 36 -11.133 0.603 -10.570 253 HB2 ASP 36 1HB ASP 36 -10.283 2.867 -12.350 254 HB3 ASP 36 2HB ASP 36 -11.800 2.649 -11.482 255 H CYS 37 H CYS 37 -8.617 0.822 -13.021 256 HA CYS 37 HA CYS 37 -10.355 -0.246 -15.082 257 HB2 CYS 37 1HB CYS 37 -8.286 -0.132 -16.492 258 HB3 CYS 37 2HB CYS 37 -8.766 1.410 -15.791 259 H ASN 38 H ASN 38 -10.059 -1.940 -12.849 260 HA ASN 38 HA ASN 38 -9.271 -4.005 -12.169 261 HB2 ASN 38 1HB ASN 38 -9.846 -5.748 -13.880 262 HB3 ASN 38 2HB ASN 38 -11.138 -4.594 -13.565 263 HD21 ASN 38 1HD2 ASN 38 -11.797 -3.220 -15.160 264 HD22 ASN 38 2HD2 ASN 38 -11.248 -3.331 -16.795 265 H HIS 39 H HIS 39 -7.077 -2.450 -12.832 266 HA HIS 39 HA HIS 39 -5.296 -4.452 -14.054 267 HB2 HIS 39 1HB HIS 39 -5.226 -1.449 -14.389 268 HB3 HIS 39 2HB HIS 39 -3.902 -2.512 -14.857 269 HD2 HIS 39 2HD HIS 39 -6.344 -4.716 -16.092 270 HE1 HIS 39 1HE HIS 39 -6.529 -1.628 -18.994 271 HE2 HIS 39 2HE HIS 39 -7.195 -3.988 -18.423 272 H SER 40 H SER 40 -3.959 -5.230 -12.575 273 HA SER 40 HA SER 40 -3.198 -3.524 -10.307 274 HB2 SER 40 1HB SER 40 -2.796 -6.508 -10.478 275 HB3 SER 40 2HB SER 40 -2.834 -5.492 -9.037 276 HG SER 40 HG SER 40 -4.914 -6.562 -10.512 277 H PHE 41 H PHE 41 -1.019 -3.459 -9.601 278 HA PHE 41 HA PHE 41 1.025 -4.568 -11.346 279 HB2 PHE 41 1HB PHE 41 1.266 -1.648 -10.761 280 HB3 PHE 41 2HB PHE 41 1.939 -2.582 -12.093 281 HD1 PHE 41 1HD PHE 41 -1.005 -0.814 -10.842 282 HD2 PHE 41 2HD PHE 41 0.649 -3.025 -14.081 283 HE1 PHE 41 1HE PHE 41 -2.842 -0.056 -12.293 284 HE2 PHE 41 2HE PHE 41 -1.185 -2.271 -15.538 285 HZ PHE 41 HZ PHE 41 -2.933 -0.784 -14.644 286 H CYS 42 H CYS 42 3.057 -4.727 -10.384 287 HA CYS 42 HA CYS 42 3.275 -5.316 -7.759 288 HB2 CYS 42 1HB CYS 42 5.488 -3.909 -9.260 289 HB3 CYS 42 2HB CYS 42 5.656 -5.066 -7.944 290 H ARG 43 H ARG 43 3.176 -4.279 -5.879 291 HA ARG 43 HA ARG 43 2.293 -1.818 -5.375 292 HB2 ARG 43 1HB ARG 43 2.762 -3.377 -3.582 293 HB3 ARG 43 2HB ARG 43 4.493 -3.219 -3.849 294 HG2 ARG 43 1HG ARG 43 4.027 -1.920 -1.955 295 HG3 ARG 43 2HG ARG 43 4.213 -0.766 -3.277 296 HD2 ARG 43 1HD ARG 43 1.800 -0.603 -3.504 297 HD3 ARG 43 2HD ARG 43 1.582 -1.815 -2.242 298 HE ARG 43 HE ARG 43 2.982 0.043 -0.942 299 HH11 ARG 43 1HH1 ARG 43 0.213 0.320 -3.033 300 HH12 ARG 43 2HH1 ARG 43 -0.411 1.727 -2.237 301 HH21 ARG 43 1HH2 ARG 43 2.170 1.894 0.115 302 HH22 ARG 43 2HH2 ARG 43 0.704 2.622 -0.447 303 H ALA 44 H ALA 44 5.708 -2.569 -5.978 304 HA ALA 44 HA ALA 44 6.598 0.124 -5.710 305 HB1 ALA 44 3HB ALA 44 8.216 -1.548 -5.342 306 HB2 ALA 44 1HB ALA 44 7.856 -2.345 -6.874 307 HB3 ALA 44 2HB ALA 44 8.669 -0.779 -6.863 308 H CYS 45 H CYS 45 6.172 -1.975 -8.565 309 HA CYS 45 HA CYS 45 6.823 -0.294 -10.588 310 HB2 CYS 45 1HB CYS 45 4.637 -2.339 -10.360 311 HB3 CYS 45 2HB CYS 45 4.830 -1.409 -11.842 312 H ILE 46 H ILE 46 3.451 -0.598 -9.458 313 HA ILE 46 HA ILE 46 2.300 1.469 -10.791 314 HB ILE 46 HB ILE 46 0.987 0.031 -9.363 315 HG12 ILE 46 1HG1 ILE 46 -0.265 1.879 -8.035 316 HG13 ILE 46 2HG1 ILE 46 0.893 2.978 -8.777 317 HG21 ILE 46 1HG2 ILE 46 1.011 0.367 -6.890 318 HG22 ILE 46 2HG2 ILE 46 2.489 -0.338 -7.541 319 HG23 ILE 46 3HG2 ILE 46 2.449 1.367 -7.094 320 HD11 ILE 46 3HD1 ILE 46 0.122 2.441 -10.956 321 HD12 ILE 46 1HD1 ILE 46 -0.861 1.111 -10.346 322 HD13 ILE 46 2HD1 ILE 46 -1.293 2.777 -9.960 323 H THR 47 H THR 47 4.186 1.702 -7.807 324 HA THR 47 HA THR 47 3.768 4.431 -7.303 325 HB THR 47 HB THR 47 6.221 2.793 -6.630 326 HG1 THR 47 1HG THR 47 4.659 1.772 -5.550 327 HG21 THR 47 3HG2 THR 47 6.258 5.377 -6.455 328 HG22 THR 47 1HG2 THR 47 6.796 4.426 -5.071 329 HG23 THR 47 2HG2 THR 47 5.183 5.139 -5.078 330 H LEU 48 H LEU 48 6.767 2.977 -8.581 331 HA LEU 48 HA LEU 48 7.954 5.324 -9.437 332 HB2 LEU 48 1HB LEU 48 8.175 2.525 -10.521 333 HB3 LEU 48 2HB LEU 48 9.206 3.852 -11.051 334 HG LEU 48 HG LEU 48 9.053 2.872 -8.204 335 HD11 LEU 48 1HD1 LEU 48 9.999 1.050 -9.245 336 HD12 LEU 48 2HD1 LEU 48 11.421 2.024 -8.875 337 HD13 LEU 48 3HD1 LEU 48 10.752 2.025 -10.507 338 HD21 LEU 48 3HD2 LEU 48 9.957 4.941 -7.974 339 HD22 LEU 48 1HD2 LEU 48 10.548 4.991 -9.635 340 HD23 LEU 48 2HD2 LEU 48 11.425 4.067 -8.415 341 H ASN 49 H ASN 49 6.074 3.029 -11.418 342 HA ASN 49 HA ASN 49 6.111 4.363 -13.820 343 HB2 ASN 49 1HB ASN 49 4.948 2.108 -13.029 344 HB3 ASN 49 2HB ASN 49 3.525 3.143 -12.968 345 HD21 ASN 49 1HD2 ASN 49 3.315 4.575 -14.988 346 HD22 ASN 49 2HD2 ASN 49 3.535 3.763 -16.497 347 H TYR 50 H TYR 50 4.161 5.035 -10.981 348 HA TYR 50 HA TYR 50 2.500 6.976 -12.288 349 HB2 TYR 50 1HB TYR 50 1.402 6.080 -10.468 350 HB3 TYR 50 2HB TYR 50 2.861 6.008 -9.487 351 HD1 TYR 50 1HD TYR 50 3.615 7.949 -8.230 352 HD2 TYR 50 2HD TYR 50 0.077 8.111 -10.588 353 HE1 TYR 50 1HE TYR 50 2.956 10.026 -7.088 354 HE2 TYR 50 2HE TYR 50 -0.592 10.188 -9.453 355 HH TYR 50 HH TYR 50 1.289 12.126 -7.905 356 H GLU 51 H GLU 51 4.960 7.264 -9.717 357 HA GLU 51 HA GLU 51 5.142 10.040 -9.727 358 HB2 GLU 51 1HB GLU 51 7.395 9.702 -8.712 359 HB3 GLU 51 2HB GLU 51 6.120 8.773 -7.937 360 HG2 GLU 51 1HG GLU 51 6.971 6.783 -8.596 361 HG3 GLU 51 2HG GLU 51 7.624 7.432 -10.099 362 H SER 52 H SER 52 6.411 7.711 -11.943 363 HA SER 52 HA SER 52 8.405 9.425 -13.090 364 HB2 SER 52 1HB SER 52 7.253 6.745 -13.776 365 HB3 SER 52 2HB SER 52 8.205 7.611 -14.982 366 HG SER 52 HG SER 52 9.696 6.483 -13.891 367 H ASN 53 H ASN 53 5.084 8.526 -13.864 368 HA ASN 53 HA ASN 53 5.102 10.535 -16.019 369 HB2 ASN 53 1HB ASN 53 3.520 7.993 -15.679 370 HB3 ASN 53 2HB ASN 53 3.006 9.259 -16.790 371 HD21 ASN 53 1HD2 ASN 53 5.834 7.300 -15.955 372 HD22 ASN 53 2HD2 ASN 53 6.403 7.119 -17.577 373 H ARG 54 H ARG 54 4.643 10.858 -13.074 374 HA ARG 54 HA ARG 54 1.874 11.377 -12.674 375 HB2 ARG 54 1HB ARG 54 2.480 12.221 -10.561 376 HB3 ARG 54 2HB ARG 54 3.653 10.953 -10.892 377 HG2 ARG 54 1HG ARG 54 5.372 12.470 -11.277 378 HG3 ARG 54 2HG ARG 54 4.255 13.809 -11.547 379 HD2 ARG 54 1HD ARG 54 3.640 13.787 -9.190 380 HD3 ARG 54 2HD ARG 54 4.711 12.414 -8.912 381 HE ARG 54 HE ARG 54 6.418 14.207 -9.892 382 HH11 ARG 54 1HH1 ARG 54 3.933 14.519 -7.474 383 HH12 ARG 54 2HH1 ARG 54 4.761 15.763 -6.596 384 HH21 ARG 54 1HH2 ARG 54 7.518 15.843 -8.745 385 HH22 ARG 54 2HH2 ARG 54 6.799 16.516 -7.321 386 H ASN 55 H ASN 55 0.737 13.286 -12.748 387 HA ASN 55 HA ASN 55 1.883 15.355 -14.442 388 HB2 ASN 55 1HB ASN 55 -0.618 16.230 -14.042 389 HB3 ASN 55 2HB ASN 55 -0.227 15.001 -15.242 390 HD21 ASN 55 1HD2 ASN 55 -2.427 15.739 -13.058 391 HD22 ASN 55 2HD2 ASN 55 -2.904 14.168 -12.518 392 H THR 56 H THR 56 2.812 15.078 -11.699 393 HA THR 56 HA THR 56 3.127 16.278 -9.769 394 HB THR 56 HB THR 56 4.340 17.606 -11.500 395 HG1 THR 56 1HG THR 56 4.732 18.384 -9.514 396 HG21 THR 56 3HG2 THR 56 2.693 18.461 -12.923 397 HG22 THR 56 1HG2 THR 56 3.213 19.870 -12.000 398 HG23 THR 56 2HG2 THR 56 1.709 19.049 -11.584 399 H ASP 57 H ASP 57 0.351 15.669 -10.323 400 HA ASP 57 HA ASP 57 -0.893 17.907 -8.870 401 HB2 ASP 57 1HB ASP 57 -1.874 16.440 -11.287 402 HB3 ASP 57 2HB ASP 57 -3.045 17.051 -10.121 403 H GLY 58 H GLY 58 -1.228 14.464 -9.721 404 HA2 GLY 58 1HA GLY 58 -1.234 13.311 -7.294 405 HA3 GLY 58 2HA GLY 58 -2.859 13.975 -7.372 406 H LYS 59 H LYS 59 -3.227 13.558 -10.189 407 HA LYS 59 HA LYS 59 -4.005 10.786 -10.100 408 HB2 LYS 59 1HB LYS 59 -4.335 12.949 -12.178 409 HB3 LYS 59 2HB LYS 59 -4.901 11.301 -12.417 410 HG2 LYS 59 1HG LYS 59 -6.094 11.757 -10.103 411 HG3 LYS 59 2HG LYS 59 -5.948 13.432 -10.640 412 HD2 LYS 59 1HD LYS 59 -7.960 12.915 -11.584 413 HD3 LYS 59 2HD LYS 59 -6.892 12.402 -12.893 414 HE2 LYS 59 1HE LYS 59 -7.125 10.140 -12.349 415 HE3 LYS 59 2HE LYS 59 -7.736 10.498 -10.734 416 HZ1 LYS 59 3HZ LYS 59 -9.800 11.167 -11.606 417 HZ2 LYS 59 1HZ LYS 59 -9.422 9.728 -12.410 418 HZ3 LYS 59 2HZ LYS 59 -9.222 11.212 -13.195 419 H GLY 60 H GLY 60 -3.596 9.364 -12.034 420 HA2 GLY 60 1HA GLY 60 -1.024 9.853 -13.341 421 HA3 GLY 60 2HA GLY 60 -1.153 8.427 -12.321 422 H ASN 61 H ASN 61 -0.641 8.597 -15.189 423 HA ASN 61 HA ASN 61 -3.077 7.530 -16.385 424 HB2 ASN 61 1HB ASN 61 -1.435 7.394 -18.431 425 HB3 ASN 61 2HB ASN 61 -2.081 8.951 -17.919 426 HD21 ASN 61 1HD2 ASN 61 -0.719 10.506 -17.270 427 HD22 ASN 61 2HD2 ASN 61 0.995 10.323 -17.150 428 H CYS 62 H CYS 62 -3.384 5.438 -16.947 429 HA CYS 62 HA CYS 62 -1.724 3.457 -15.726 430 HB2 CYS 62 1HB CYS 62 -4.233 3.312 -16.010 431 HB3 CYS 62 2HB CYS 62 -3.946 2.991 -17.717 432 HA PRO 63 HA PRO 63 1.100 2.897 -19.087 433 HB2 PRO 63 1HB PRO 63 2.228 0.592 -18.200 434 HB3 PRO 63 2HB PRO 63 2.592 2.173 -17.498 435 HG2 PRO 63 1HG PRO 63 0.722 0.051 -16.518 436 HG3 PRO 63 2HG PRO 63 1.868 1.043 -15.599 437 HD2 PRO 63 1HD PRO 63 -0.782 1.588 -15.690 438 HD3 PRO 63 2HD PRO 63 0.449 2.858 -15.545 439 H VAL 64 H VAL 64 -1.721 1.354 -18.701 440 HA VAL 64 HA VAL 64 -1.200 -0.493 -20.938 441 HB VAL 64 HB VAL 64 -3.100 -0.926 -18.629 442 HG11 VAL 64 1HG1 VAL 64 -3.862 -2.882 -19.668 443 HG12 VAL 64 2HG1 VAL 64 -3.854 -1.676 -20.956 444 HG13 VAL 64 3HG1 VAL 64 -2.557 -2.867 -20.854 445 HG21 VAL 64 3HG2 VAL 64 -0.801 -1.377 -18.021 446 HG22 VAL 64 1HG2 VAL 64 -1.683 -2.896 -18.179 447 HG23 VAL 64 2HG2 VAL 64 -0.587 -2.376 -19.459 448 H CYS 65 H CYS 65 -3.884 1.107 -19.211 449 HA CYS 65 HA CYS 65 -5.247 1.459 -21.786 450 HB2 CYS 65 1HB CYS 65 -7.252 1.962 -20.400 451 HB3 CYS 65 2HB CYS 65 -6.595 0.355 -20.109 452 H ARG 66 H ARG 66 -3.410 3.142 -19.512 453 HA ARG 66 HA ARG 66 -2.862 5.332 -19.235 454 HB2 ARG 66 1HB ARG 66 -4.112 5.573 -21.977 455 HB3 ARG 66 2HB ARG 66 -3.155 6.824 -21.196 456 HG2 ARG 66 1HG ARG 66 -2.063 4.077 -21.699 457 HG3 ARG 66 2HG ARG 66 -1.993 5.354 -22.915 458 HD2 ARG 66 1HD ARG 66 -0.964 6.753 -20.965 459 HD3 ARG 66 2HD ARG 66 -0.617 5.170 -20.271 460 HE ARG 66 HE ARG 66 0.770 6.423 -22.399 461 HH11 ARG 66 1HH1 ARG 66 -0.347 3.316 -21.294 462 HH12 ARG 66 2HH1 ARG 66 0.893 2.431 -22.120 463 HH21 ARG 66 1HH2 ARG 66 2.407 5.269 -23.491 464 HH22 ARG 66 2HH2 ARG 66 2.460 3.543 -23.368 465 H VAL 67 H VAL 67 -5.171 4.562 -17.959 466 HA VAL 67 HA VAL 67 -7.061 6.770 -18.391 467 HB VAL 67 HB VAL 67 -7.935 4.413 -18.343 468 HG11 VAL 67 1HG1 VAL 67 -7.952 3.130 -16.408 469 HG12 VAL 67 2HG1 VAL 67 -6.331 3.828 -16.402 470 HG13 VAL 67 3HG1 VAL 67 -7.590 4.509 -15.371 471 HG21 VAL 67 3HG2 VAL 67 -9.452 6.231 -17.981 472 HG22 VAL 67 1HG2 VAL 67 -9.835 4.961 -16.819 473 HG23 VAL 67 2HG2 VAL 67 -8.941 6.390 -16.301 474 HA PRO 68 HA PRO 68 -5.516 8.811 -14.791 475 HB2 PRO 68 1HB PRO 68 -7.605 10.499 -14.397 476 HB3 PRO 68 2HB PRO 68 -6.418 10.724 -15.687 477 HG2 PRO 68 1HG PRO 68 -9.158 9.526 -15.823 478 HG3 PRO 68 2HG PRO 68 -8.373 10.655 -16.944 479 HD2 PRO 68 1HD PRO 68 -8.542 7.997 -17.433 480 HD3 PRO 68 2HD PRO 68 -7.173 8.984 -17.984 481 H TYR 69 H TYR 69 -5.475 7.470 -13.054 482 HA TYR 69 HA TYR 69 -8.028 6.967 -11.670 483 HB2 TYR 69 1HB TYR 69 -6.994 4.952 -10.727 484 HB3 TYR 69 2HB TYR 69 -6.981 4.906 -12.487 485 HD1 TYR 69 1HD TYR 69 -4.911 5.286 -9.473 486 HD2 TYR 69 2HD TYR 69 -4.911 4.966 -13.716 487 HE1 TYR 69 1HE TYR 69 -2.484 4.888 -9.437 488 HE2 TYR 69 2HE TYR 69 -2.484 4.566 -13.692 489 HH TYR 69 HH TYR 69 -0.647 4.467 -12.447 490 HA PRO 70 HA PRO 70 -6.479 9.406 -8.339 491 HB2 PRO 70 1HB PRO 70 -8.142 8.508 -6.390 492 HB3 PRO 70 2HB PRO 70 -8.670 9.601 -7.674 493 HG2 PRO 70 1HG PRO 70 -9.004 6.634 -7.454 494 HG3 PRO 70 2HG PRO 70 -10.176 7.856 -7.981 495 HD2 PRO 70 1HD PRO 70 -8.790 6.319 -9.727 496 HD3 PRO 70 2HD PRO 70 -9.280 7.984 -10.101 497 H PHE 71 H PHE 71 -4.492 8.879 -7.629 498 HA PHE 71 HA PHE 71 -3.555 6.386 -6.884 499 HB2 PHE 71 1HB PHE 71 -2.122 8.361 -7.325 500 HB3 PHE 71 2HB PHE 71 -2.633 9.051 -5.788 501 HD1 PHE 71 1HD PHE 71 -0.837 6.204 -7.321 502 HD2 PHE 71 2HD PHE 71 -1.584 8.446 -3.781 503 HE1 PHE 71 1HE PHE 71 0.992 5.013 -6.186 504 HE2 PHE 71 2HE PHE 71 0.245 7.259 -2.640 505 HZ PHE 71 HZ PHE 71 1.536 5.540 -3.842 506 H GLY 72 H GLY 72 -3.140 5.401 -4.861 507 HA2 GLY 72 1HA GLY 72 -3.408 5.081 -2.554 508 HA3 GLY 72 2HA GLY 72 -4.431 6.509 -2.498 509 H ASN 73 H ASN 73 -6.162 5.661 -4.661 510 HA ASN 73 HA ASN 73 -7.935 4.003 -3.114 511 HB2 ASN 73 1HB ASN 73 -8.542 5.995 -4.668 512 HB3 ASN 73 2HB ASN 73 -8.431 4.809 -5.966 513 HD21 ASN 73 1HD2 ASN 73 -10.228 5.911 -3.239 514 HD22 ASN 73 2HD2 ASN 73 -11.598 4.881 -3.456 515 H LEU 74 H LEU 74 -5.636 2.584 -3.687 516 HA LEU 74 HA LEU 74 -6.502 0.671 -5.751 517 HB2 LEU 74 1HB LEU 74 -3.743 0.969 -4.583 518 HB3 LEU 74 2HB LEU 74 -4.216 -0.013 -5.968 519 HG LEU 74 HG LEU 74 -4.569 2.957 -6.054 520 HD11 LEU 74 1HD1 LEU 74 -2.380 3.391 -6.588 521 HD12 LEU 74 2HD1 LEU 74 -2.039 1.718 -7.030 522 HD13 LEU 74 3HD1 LEU 74 -2.183 2.169 -5.331 523 HD21 LEU 74 3HD2 LEU 74 -4.952 2.622 -8.233 524 HD22 LEU 74 1HD2 LEU 74 -5.187 0.932 -7.785 525 HD23 LEU 74 2HD2 LEU 74 -3.621 1.475 -8.388 526 H LYS 75 H LYS 75 -6.959 -1.375 -5.196 527 HA LYS 75 HA LYS 75 -6.730 -2.089 -2.363 528 HB2 LYS 75 1HB LYS 75 -8.352 -3.370 -4.570 529 HB3 LYS 75 2HB LYS 75 -8.379 -3.844 -2.876 530 HG2 LYS 75 1HG LYS 75 -9.165 -1.525 -2.338 531 HG3 LYS 75 2HG LYS 75 -9.338 -1.258 -4.074 532 HD2 LYS 75 1HD LYS 75 -10.908 -3.126 -4.209 533 HD3 LYS 75 2HD LYS 75 -10.723 -3.414 -2.477 534 HE2 LYS 75 1HE LYS 75 -11.727 -1.318 -1.947 535 HE3 LYS 75 2HE LYS 75 -11.691 -0.807 -3.633 536 HZ1 LYS 75 3HZ LYS 75 -13.779 -2.019 -2.359 537 HZ2 LYS 75 1HZ LYS 75 -13.104 -3.264 -3.284 538 HZ3 LYS 75 2HZ LYS 75 -13.606 -1.832 -4.031 539 HA PRO 76 HA PRO 76 -3.484 -4.961 -3.139 540 HB2 PRO 76 1HB PRO 76 -3.839 -6.595 -1.001 541 HB3 PRO 76 2HB PRO 76 -3.154 -4.972 -0.865 542 HG2 PRO 76 1HG PRO 76 -5.950 -5.899 -0.332 543 HG3 PRO 76 2HG PRO 76 -4.944 -4.781 0.607 544 HD2 PRO 76 1HD PRO 76 -6.877 -3.928 -1.085 545 HD3 PRO 76 2HD PRO 76 -5.390 -3.004 -0.791 546 H ASN 77 H ASN 77 -3.138 -6.973 -4.028 547 HA ASN 77 HA ASN 77 -5.530 -8.646 -4.434 548 HB2 ASN 77 1HB ASN 77 -4.890 -7.550 -6.517 549 HB3 ASN 77 2HB ASN 77 -3.241 -8.144 -6.349 550 HD21 ASN 77 1HD2 ASN 77 -3.028 -9.481 -8.020 551 HD22 ASN 77 2HD2 ASN 77 -4.051 -10.834 -8.349 552 H LEU 78 H LEU 78 -5.394 -10.682 -3.751 553 HA LEU 78 HA LEU 78 -2.723 -11.767 -3.143 554 HB2 LEU 78 1HB LEU 78 -5.331 -11.936 -1.712 555 HB3 LEU 78 2HB LEU 78 -4.201 -13.283 -1.583 556 HG LEU 78 HG LEU 78 -2.493 -11.555 -0.802 557 HD11 LEU 78 1HD1 LEU 78 -3.107 -9.424 -0.910 558 HD12 LEU 78 2HD1 LEU 78 -4.231 -9.749 0.408 559 HD13 LEU 78 3HD1 LEU 78 -4.779 -9.858 -1.264 560 HD21 LEU 78 3HD2 LEU 78 -3.065 -12.850 0.952 561 HD22 LEU 78 1HD2 LEU 78 -4.795 -12.685 0.649 562 HD23 LEU 78 2HD2 LEU 78 -3.919 -11.399 1.479 563 H HIS 79 H HIS 79 -2.839 -14.276 -2.995 564 HA HIS 79 HA HIS 79 -3.001 -15.411 -5.424 565 HB2 HIS 79 1HB HIS 79 -2.268 -16.500 -3.248 566 HB3 HIS 79 2HB HIS 79 -3.962 -16.898 -2.979 567 HD2 HIS 79 2HD HIS 79 -0.989 -17.991 -5.255 568 HE1 HIS 79 1HE HIS 79 -4.217 -20.676 -5.866 569 HE2 HIS 79 2HE HIS 79 -1.773 -20.232 -6.282 570 H VAL 80 H VAL 80 -4.602 -15.029 -6.844 571 HA VAL 80 HA VAL 80 -7.215 -16.179 -6.268 572 HB VAL 80 HB VAL 80 -7.492 -13.842 -5.609 573 HG11 VAL 80 1HG1 VAL 80 -5.672 -12.987 -7.118 574 HG12 VAL 80 2HG1 VAL 80 -6.826 -13.091 -8.449 575 HG13 VAL 80 3HG1 VAL 80 -7.142 -12.014 -7.088 576 HG21 VAL 80 3HG2 VAL 80 -9.359 -13.266 -7.159 577 HG22 VAL 80 1HG2 VAL 80 -8.849 -14.603 -8.191 578 HG23 VAL 80 2HG2 VAL 80 -9.415 -14.921 -6.551 579 H ALA 81 H ALA 81 -7.691 -17.461 -7.915 580 HA ALA 81 HA ALA 81 -6.380 -17.108 -10.479 581 HB1 ALA 81 3HB ALA 81 -8.397 -19.240 -10.121 582 HB2 ALA 81 1HB ALA 81 -6.798 -19.300 -10.864 583 HB3 ALA 81 2HB ALA 81 -6.957 -19.328 -9.107 584 H ASN 82 H ASN 82 -7.254 -16.123 -12.175 585 HA ASN 82 HA ASN 82 -10.178 -15.757 -12.230 586 HB2 ASN 82 1HB ASN 82 -9.108 -13.627 -11.770 587 HB3 ASN 82 2HB ASN 82 -8.025 -13.838 -13.143 588 HD21 ASN 82 1HD2 ASN 82 -10.501 -12.090 -12.206 589 HD22 ASN 82 2HD2 ASN 82 -11.354 -11.878 -13.694 590 H ILE 83 H ILE 83 -7.324 -15.614 -14.368 591 HA ILE 83 HA ILE 83 -8.882 -16.330 -16.675 592 HB ILE 83 HB ILE 83 -5.887 -16.134 -16.335 593 HG12 ILE 83 1HG1 ILE 83 -6.997 -13.994 -15.979 594 HG13 ILE 83 2HG1 ILE 83 -6.153 -13.979 -17.524 595 HG21 ILE 83 1HG2 ILE 83 -6.314 -17.549 -18.193 596 HG22 ILE 83 2HG2 ILE 83 -7.602 -16.499 -18.780 597 HG23 ILE 83 3HG2 ILE 83 -5.926 -15.957 -18.844 598 HD11 ILE 83 3HD1 ILE 83 -9.089 -14.096 -16.983 599 HD12 ILE 83 1HD1 ILE 83 -8.183 -12.970 -17.993 600 HD13 ILE 83 2HD1 ILE 83 -8.426 -14.634 -18.525 601 H VAL 84 H VAL 84 -7.241 -18.033 -14.210 602 HA VAL 84 HA VAL 84 -6.692 -20.409 -15.733 603 HB VAL 84 HB VAL 84 -6.774 -20.018 -12.738 604 HG11 VAL 84 1HG1 VAL 84 -6.812 -22.278 -12.822 605 HG12 VAL 84 2HG1 VAL 84 -6.183 -22.338 -14.469 606 HG13 VAL 84 3HG1 VAL 84 -5.086 -22.068 -13.114 607 HG21 VAL 84 3HG2 VAL 84 -4.490 -19.565 -12.785 608 HG22 VAL 84 1HG2 VAL 84 -4.298 -20.212 -14.415 609 HG23 VAL 84 2HG2 VAL 84 -5.109 -18.665 -14.170 610 H GLU 85 H GLU 85 -9.393 -19.117 -14.030 611 HA GLU 85 HA GLU 85 -11.025 -21.357 -14.832 612 HB2 GLU 85 1HB GLU 85 -9.958 -21.867 -12.518 613 HB3 GLU 85 2HB GLU 85 -11.094 -20.672 -11.909 614 HG2 GLU 85 1HG GLU 85 -12.928 -21.981 -12.361 615 HG3 GLU 85 2HG GLU 85 -12.095 -22.905 -13.609 Start of MODEL 15 1 H1 GLY 1 H GLY 1 31.629 8.656 -21.884 2 HA2 GLY 1 1HA GLY 1 31.523 7.848 -19.115 3 HA3 GLY 1 2HA GLY 1 29.997 7.654 -19.965 4 H SER 2 H SER 2 31.314 5.490 -18.862 5 HA SER 2 HA SER 2 31.641 3.834 -21.195 6 HB2 SER 2 1HB SER 2 33.972 4.464 -19.395 7 HB3 SER 2 2HB SER 2 33.888 2.942 -20.282 8 HG SER 2 HG SER 2 34.994 4.457 -21.515 9 H SER 3 H SER 3 31.476 1.613 -20.741 10 HA SER 3 HA SER 3 31.368 0.609 -18.070 11 HB2 SER 3 1HB SER 3 29.014 0.122 -17.915 12 HB3 SER 3 2HB SER 3 29.187 1.846 -18.243 13 HG SER 3 HG SER 3 29.058 0.491 -20.554 14 H GLY 4 H GLY 4 30.256 -1.691 -18.151 15 HA2 GLY 4 1HA GLY 4 31.312 -2.998 -20.577 16 HA3 GLY 4 2HA GLY 4 31.271 -3.738 -18.983 17 H SER 5 H SER 5 30.246 -5.508 -20.220 18 HA SER 5 HA SER 5 27.373 -5.310 -19.982 19 HB2 SER 5 1HB SER 5 28.039 -4.535 -22.352 20 HB3 SER 5 2HB SER 5 28.442 -6.227 -22.646 21 HG SER 5 HG SER 5 26.353 -6.067 -23.233 22 H SER 6 H SER 6 26.566 -7.174 -19.253 23 HA SER 6 HA SER 6 27.927 -9.687 -19.857 24 HB2 SER 6 1HB SER 6 28.126 -10.360 -17.569 25 HB3 SER 6 2HB SER 6 28.843 -8.753 -17.689 26 HG SER 6 HG SER 6 27.196 -9.316 -15.929 27 H GLY 7 H GLY 7 26.631 -11.590 -19.099 28 HA2 GLY 7 1HA GLY 7 23.864 -11.208 -18.459 29 HA3 GLY 7 2HA GLY 7 24.099 -11.616 -20.152 30 H MET 8 H MET 8 22.637 -13.236 -18.433 31 HA MET 8 HA MET 8 24.281 -15.656 -18.496 32 HB2 MET 8 1HB MET 8 23.474 -16.370 -16.300 33 HB3 MET 8 2HB MET 8 24.369 -14.861 -16.180 34 HG2 MET 8 1HG MET 8 21.395 -14.827 -16.432 35 HG3 MET 8 2HG MET 8 22.156 -15.151 -14.877 36 HE1 MET 8 3HE MET 8 21.104 -11.942 -13.918 37 HE2 MET 8 1HE MET 8 21.417 -13.649 -13.602 38 HE3 MET 8 2HE MET 8 22.658 -12.446 -13.251 39 H ALA 9 H ALA 9 23.073 -17.612 -18.651 40 HA ALA 9 HA ALA 9 20.292 -17.202 -19.542 41 HB1 ALA 9 3HB ALA 9 22.159 -17.912 -21.224 42 HB2 ALA 9 1HB ALA 9 21.922 -19.507 -20.507 43 HB3 ALA 9 2HB ALA 9 20.572 -18.679 -21.284 44 H SER 10 H SER 10 18.760 -18.809 -19.044 45 HA SER 10 HA SER 10 19.587 -20.807 -17.054 46 HB2 SER 10 1HB SER 10 17.113 -19.083 -16.798 47 HB3 SER 10 2HB SER 10 17.679 -20.294 -15.648 48 HG SER 10 HG SER 10 18.528 -17.704 -16.051 49 H SER 11 H SER 11 18.431 -22.720 -17.058 50 HA SER 11 HA SER 11 17.074 -23.332 -19.522 51 HB2 SER 11 1HB SER 11 17.913 -24.934 -17.120 52 HB3 SER 11 2HB SER 11 16.834 -25.629 -18.329 53 HG SER 11 HG SER 11 19.525 -24.947 -18.519 54 H VAL 12 H VAL 12 15.242 -21.919 -19.274 55 HA VAL 12 HA VAL 12 13.183 -23.036 -17.483 56 HB VAL 12 HB VAL 12 12.156 -20.803 -17.377 57 HG11 VAL 12 1HG1 VAL 12 14.358 -21.709 -15.998 58 HG12 VAL 12 2HG1 VAL 12 14.828 -20.077 -16.479 59 HG13 VAL 12 3HG1 VAL 12 13.350 -20.333 -15.550 60 HG21 VAL 12 3HG2 VAL 12 14.406 -20.142 -19.209 61 HG22 VAL 12 1HG2 VAL 12 12.729 -19.596 -19.235 62 HG23 VAL 12 2HG2 VAL 12 13.861 -18.914 -18.067 63 H LEU 13 H LEU 13 11.680 -24.066 -18.609 64 HA LEU 13 HA LEU 13 10.935 -23.010 -21.258 65 HB2 LEU 13 1HB LEU 13 11.943 -25.082 -21.663 66 HB3 LEU 13 2HB LEU 13 11.185 -25.824 -20.255 67 HG LEU 13 HG LEU 13 8.974 -25.469 -21.554 68 HD11 LEU 13 1HD1 LEU 13 9.564 -25.783 -24.079 69 HD12 LEU 13 2HD1 LEU 13 11.046 -24.939 -23.632 70 HD13 LEU 13 3HD1 LEU 13 9.481 -24.167 -23.377 71 HD21 LEU 13 3HD2 LEU 13 9.331 -27.612 -22.757 72 HD22 LEU 13 1HD2 LEU 13 9.852 -27.653 -21.073 73 HD23 LEU 13 2HD2 LEU 13 11.047 -27.506 -22.361 74 H GLU 14 H GLU 14 9.089 -21.922 -20.988 75 HA GLU 14 HA GLU 14 6.687 -23.247 -20.364 76 HB2 GLU 14 1HB GLU 14 6.078 -22.196 -18.267 77 HB3 GLU 14 2HB GLU 14 7.571 -23.102 -18.060 78 HG2 GLU 14 1HG GLU 14 7.573 -20.158 -18.622 79 HG3 GLU 14 2HG GLU 14 7.422 -20.799 -16.987 80 H MET 15 H MET 15 4.923 -22.069 -21.002 81 HA MET 15 HA MET 15 5.317 -19.889 -22.711 82 HB2 MET 15 1HB MET 15 3.387 -21.306 -22.967 83 HB3 MET 15 2HB MET 15 2.813 -20.896 -21.356 84 HG2 MET 15 1HG MET 15 2.009 -18.870 -22.002 85 HG3 MET 15 2HG MET 15 3.197 -18.684 -23.290 86 HE1 MET 15 3HE MET 15 2.121 -19.654 -26.228 87 HE2 MET 15 1HE MET 15 0.949 -18.404 -25.807 88 HE3 MET 15 2HE MET 15 2.596 -18.313 -25.184 89 H ILE 16 H ILE 16 5.796 -17.855 -22.244 90 HA ILE 16 HA ILE 16 5.500 -16.828 -19.569 91 HB ILE 16 HB ILE 16 6.444 -15.444 -22.083 92 HG12 ILE 16 1HG1 ILE 16 8.665 -15.712 -20.637 93 HG13 ILE 16 2HG1 ILE 16 7.788 -17.097 -19.996 94 HG21 ILE 16 1HG2 ILE 16 5.607 -13.884 -20.387 95 HG22 ILE 16 2HG2 ILE 16 6.700 -14.596 -19.202 96 HG23 ILE 16 3HG2 ILE 16 7.351 -13.745 -20.601 97 HD11 ILE 16 3HD1 ILE 16 8.152 -16.668 -22.940 98 HD12 ILE 16 1HD1 ILE 16 9.347 -17.506 -21.951 99 HD13 ILE 16 2HD1 ILE 16 7.709 -18.147 -22.087 100 H LYS 17 H LYS 17 3.369 -16.547 -19.072 101 HA LYS 17 HA LYS 17 1.376 -15.555 -20.761 102 HB2 LYS 17 1HB LYS 17 1.220 -16.678 -18.415 103 HB3 LYS 17 2HB LYS 17 1.344 -15.033 -17.805 104 HG2 LYS 17 1HG LYS 17 -0.921 -15.268 -17.908 105 HG3 LYS 17 2HG LYS 17 -0.603 -14.592 -19.507 106 HD2 LYS 17 1HD LYS 17 -0.386 -17.096 -20.210 107 HD3 LYS 17 2HD LYS 17 -1.307 -17.393 -18.734 108 HE2 LYS 17 1HE LYS 17 -3.039 -17.154 -20.189 109 HE3 LYS 17 2HE LYS 17 -2.820 -15.462 -19.749 110 HZ1 LYS 17 3HZ LYS 17 -1.103 -15.783 -21.814 111 HZ2 LYS 17 1HZ LYS 17 -2.658 -15.128 -21.933 112 HZ3 LYS 17 2HZ LYS 17 -2.402 -16.764 -22.276 113 H GLU 18 H GLU 18 1.094 -13.613 -21.622 114 HA GLU 18 HA GLU 18 2.430 -11.312 -20.372 115 HB2 GLU 18 1HB GLU 18 1.554 -11.832 -23.211 116 HB3 GLU 18 2HB GLU 18 2.048 -10.242 -22.648 117 HG2 GLU 18 1HG GLU 18 3.803 -12.663 -22.398 118 HG3 GLU 18 2HG GLU 18 3.801 -11.627 -23.823 119 H GLU 19 H GLU 19 -0.093 -12.355 -19.432 120 HA GLU 19 HA GLU 19 -1.812 -10.037 -20.025 121 HB2 GLU 19 1HB GLU 19 -2.619 -12.905 -19.535 122 HB3 GLU 19 2HB GLU 19 -3.753 -11.562 -19.503 123 HG2 GLU 19 1HG GLU 19 -2.883 -11.046 -21.866 124 HG3 GLU 19 2HG GLU 19 -2.236 -12.686 -21.822 125 H VAL 20 H VAL 20 -0.815 -12.433 -17.631 126 HA VAL 20 HA VAL 20 -2.042 -10.862 -15.492 127 HB VAL 20 HB VAL 20 -1.432 -12.732 -14.016 128 HG11 VAL 20 1HG1 VAL 20 -2.838 -13.654 -16.520 129 HG12 VAL 20 2HG1 VAL 20 -2.988 -14.360 -14.909 130 HG13 VAL 20 3HG1 VAL 20 -3.583 -12.728 -15.217 131 HG21 VAL 20 3HG2 VAL 20 0.580 -13.537 -14.989 132 HG22 VAL 20 1HG2 VAL 20 -0.601 -14.841 -15.114 133 HG23 VAL 20 2HG2 VAL 20 -0.216 -13.861 -16.529 134 H THR 21 H THR 21 1.114 -11.997 -16.596 135 HA THR 21 HA THR 21 2.670 -11.113 -14.455 136 HB THR 21 HB THR 21 3.574 -11.066 -17.334 137 HG1 THR 21 1HG THR 21 2.771 -13.175 -15.761 138 HG21 THR 21 3HG2 THR 21 5.353 -12.087 -15.249 139 HG22 THR 21 1HG2 THR 21 4.907 -10.395 -15.032 140 HG23 THR 21 2HG2 THR 21 5.668 -10.921 -16.534 141 H CYS 22 H CYS 22 3.698 -9.208 -13.970 142 HA CYS 22 HA CYS 22 2.507 -6.805 -14.368 143 HB2 CYS 22 1HB CYS 22 4.461 -7.353 -12.833 144 HB3 CYS 22 2HB CYS 22 5.510 -7.064 -14.217 145 HA PRO 23 HA PRO 23 3.096 -6.097 -18.733 146 HB2 PRO 23 1HB PRO 23 1.772 -3.727 -18.798 147 HB3 PRO 23 2HB PRO 23 0.945 -5.289 -18.737 148 HG2 PRO 23 1HG PRO 23 1.525 -3.364 -16.518 149 HG3 PRO 23 2HG PRO 23 0.041 -4.276 -16.849 150 HD2 PRO 23 1HD PRO 23 1.838 -5.047 -14.976 151 HD3 PRO 23 2HD PRO 23 0.869 -6.209 -15.904 152 H ILE 24 H ILE 24 4.666 -4.743 -16.208 153 HA ILE 24 HA ILE 24 5.980 -2.695 -17.869 154 HB ILE 24 HB ILE 24 5.894 -2.903 -14.857 155 HG12 ILE 24 1HG1 ILE 24 4.721 -0.708 -16.549 156 HG13 ILE 24 2HG1 ILE 24 3.798 -2.157 -16.165 157 HG21 ILE 24 1HG2 ILE 24 8.007 -1.978 -15.726 158 HG22 ILE 24 2HG2 ILE 24 7.089 -0.749 -16.594 159 HG23 ILE 24 3HG2 ILE 24 7.064 -0.786 -14.831 160 HD11 ILE 24 3HD1 ILE 24 5.038 -0.889 -13.846 161 HD12 ILE 24 1HD1 ILE 24 3.850 0.115 -14.676 162 HD13 ILE 24 2HD1 ILE 24 3.393 -1.480 -14.079 163 H CYS 25 H CYS 25 6.823 -4.777 -15.093 164 HA CYS 25 HA CYS 25 9.537 -5.025 -16.112 165 HB2 CYS 25 1HB CYS 25 10.018 -6.132 -13.980 166 HB3 CYS 25 2HB CYS 25 9.203 -4.594 -13.718 167 H LEU 26 H LEU 26 6.601 -6.816 -16.021 168 HA LEU 26 HA LEU 26 5.999 -8.836 -16.874 169 HB2 LEU 26 1HB LEU 26 8.735 -8.725 -18.136 170 HB3 LEU 26 2HB LEU 26 7.467 -9.876 -18.553 171 HG LEU 26 HG LEU 26 7.147 -6.899 -18.873 172 HD11 LEU 26 1HD1 LEU 26 8.329 -6.912 -20.751 173 HD12 LEU 26 2HD1 LEU 26 7.495 -8.351 -21.336 174 HD13 LEU 26 3HD1 LEU 26 8.915 -8.514 -20.302 175 HD21 LEU 26 3HD2 LEU 26 5.582 -8.160 -20.718 176 HD22 LEU 26 1HD2 LEU 26 5.030 -7.578 -19.147 177 HD23 LEU 26 2HD2 LEU 26 5.494 -9.268 -19.348 178 H GLU 27 H GLU 27 6.848 -8.886 -14.295 179 HA GLU 27 HA GLU 27 8.048 -11.550 -14.126 180 HB2 GLU 27 1HB GLU 27 8.961 -9.160 -12.517 181 HB3 GLU 27 2HB GLU 27 9.434 -10.821 -12.191 182 HG2 GLU 27 1HG GLU 27 10.728 -10.965 -14.110 183 HG3 GLU 27 2HG GLU 27 9.921 -9.597 -14.875 184 H LEU 28 H LEU 28 7.825 -12.437 -11.846 185 HA LEU 28 HA LEU 28 5.215 -12.697 -11.110 186 HB2 LEU 28 1HB LEU 28 7.777 -13.009 -9.625 187 HB3 LEU 28 2HB LEU 28 6.262 -13.126 -8.732 188 HG LEU 28 HG LEU 28 7.022 -14.857 -11.084 189 HD11 LEU 28 1HD1 LEU 28 8.445 -15.576 -9.405 190 HD12 LEU 28 2HD1 LEU 28 7.034 -16.610 -9.184 191 HD13 LEU 28 3HD1 LEU 28 7.283 -15.222 -8.126 192 HD21 LEU 28 3HD2 LEU 28 4.517 -14.280 -10.030 193 HD22 LEU 28 1HD2 LEU 28 4.956 -15.831 -9.312 194 HD23 LEU 28 2HD2 LEU 28 4.942 -15.644 -11.066 195 H LEU 29 H LEU 29 3.746 -11.298 -10.428 196 HA LEU 29 HA LEU 29 4.353 -8.683 -9.560 197 HB2 LEU 29 1HB LEU 29 1.811 -10.284 -9.313 198 HB3 LEU 29 2HB LEU 29 1.944 -8.557 -8.987 199 HG LEU 29 HG LEU 29 2.788 -9.510 -11.669 200 HD11 LEU 29 1HD1 LEU 29 0.836 -10.350 -12.295 201 HD12 LEU 29 2HD1 LEU 29 -0.008 -8.914 -11.717 202 HD13 LEU 29 3HD1 LEU 29 0.289 -10.262 -10.620 203 HD21 LEU 29 3HD2 LEU 29 1.606 -7.070 -10.425 204 HD22 LEU 29 1HD2 LEU 29 1.381 -7.356 -12.151 205 HD23 LEU 29 2HD2 LEU 29 3.009 -7.230 -11.483 206 H LYS 30 H LYS 30 4.982 -7.974 -7.639 207 HA LYS 30 HA LYS 30 4.662 -9.734 -5.311 208 HB2 LYS 30 1HB LYS 30 6.961 -8.974 -5.955 209 HB3 LYS 30 2HB LYS 30 6.463 -7.324 -5.604 210 HG2 LYS 30 1HG LYS 30 5.868 -8.213 -3.272 211 HG3 LYS 30 2HG LYS 30 6.847 -9.614 -3.713 212 HD2 LYS 30 1HD LYS 30 8.315 -8.157 -2.586 213 HD3 LYS 30 2HD LYS 30 8.682 -7.952 -4.301 214 HE2 LYS 30 1HE LYS 30 7.647 -5.870 -4.398 215 HE3 LYS 30 2HE LYS 30 6.706 -6.162 -2.936 216 HZ1 LYS 30 3HZ LYS 30 8.653 -5.915 -1.608 217 HZ2 LYS 30 1HZ LYS 30 8.572 -4.581 -2.645 218 HZ3 LYS 30 2HZ LYS 30 9.656 -5.838 -2.969 219 H GLU 31 H GLU 31 2.927 -9.296 -4.122 220 HA GLU 31 HA GLU 31 1.194 -8.151 -3.160 221 HB2 GLU 31 1HB GLU 31 3.697 -6.710 -2.436 222 HB3 GLU 31 2HB GLU 31 2.169 -5.950 -2.013 223 HG2 GLU 31 1HG GLU 31 1.576 -8.221 -0.962 224 HG3 GLU 31 2HG GLU 31 3.306 -8.545 -1.059 225 HA PRO 32 HA PRO 32 1.027 -5.066 -6.742 226 HB2 PRO 32 1HB PRO 32 -0.804 -6.402 -8.237 227 HB3 PRO 32 2HB PRO 32 0.939 -6.649 -8.405 228 HG2 PRO 32 1HG PRO 32 -1.073 -8.291 -6.916 229 HG3 PRO 32 2HG PRO 32 0.261 -8.827 -7.953 230 HD2 PRO 32 1HD PRO 32 0.423 -8.836 -5.251 231 HD3 PRO 32 2HD PRO 32 1.833 -8.547 -6.291 232 H VAL 33 H VAL 33 -0.921 -3.879 -7.450 233 HA VAL 33 HA VAL 33 -3.196 -4.177 -5.609 234 HB VAL 33 HB VAL 33 -3.352 -1.680 -5.512 235 HG11 VAL 33 1HG1 VAL 33 -1.692 -1.429 -3.775 236 HG12 VAL 33 2HG1 VAL 33 -2.402 -3.042 -3.681 237 HG13 VAL 33 3HG1 VAL 33 -0.799 -2.822 -4.384 238 HG21 VAL 33 3HG2 VAL 33 -1.907 -0.315 -6.550 239 HG22 VAL 33 1HG2 VAL 33 -0.516 -1.313 -6.125 240 HG23 VAL 33 2HG2 VAL 33 -1.503 -1.727 -7.527 241 H SER 34 H SER 34 -5.101 -4.212 -6.606 242 HA SER 34 HA SER 34 -5.271 -3.942 -9.441 243 HB2 SER 34 1HB SER 34 -7.341 -4.393 -7.290 244 HB3 SER 34 2HB SER 34 -7.761 -4.268 -8.998 245 HG SER 34 HG SER 34 -6.967 -6.407 -7.729 246 H ALA 35 H ALA 35 -6.801 -2.528 -10.559 247 HA ALA 35 HA ALA 35 -7.306 0.017 -9.183 248 HB1 ALA 35 3HB ALA 35 -5.998 -0.261 -11.885 249 HB2 ALA 35 1HB ALA 35 -6.536 1.256 -11.165 250 HB3 ALA 35 2HB ALA 35 -5.241 0.329 -10.406 251 H ASP 36 H ASP 36 -8.619 1.487 -10.810 252 HA ASP 36 HA ASP 36 -11.128 0.347 -11.132 253 HB2 ASP 36 1HB ASP 36 -9.882 2.772 -12.428 254 HB3 ASP 36 2HB ASP 36 -11.575 2.338 -12.645 255 H CYS 37 H CYS 37 -8.484 0.668 -13.441 256 HA CYS 37 HA CYS 37 -10.042 -0.458 -15.603 257 HB2 CYS 37 1HB CYS 37 -7.906 -0.308 -16.874 258 HB3 CYS 37 2HB CYS 37 -8.399 1.225 -16.162 259 H ASN 38 H ASN 38 -9.836 -2.118 -13.298 260 HA ASN 38 HA ASN 38 -9.051 -4.167 -12.559 261 HB2 ASN 38 1HB ASN 38 -10.901 -4.563 -14.227 262 HB3 ASN 38 2HB ASN 38 -9.656 -4.871 -15.435 263 HD21 ASN 38 1HD2 ASN 38 -9.566 -6.960 -15.805 264 HD22 ASN 38 2HD2 ASN 38 -9.575 -8.208 -14.609 265 H HIS 39 H HIS 39 -6.827 -2.695 -13.065 266 HA HIS 39 HA HIS 39 -5.026 -4.685 -14.265 267 HB2 HIS 39 1HB HIS 39 -4.949 -1.688 -14.631 268 HB3 HIS 39 2HB HIS 39 -3.598 -2.745 -15.029 269 HD2 HIS 39 2HD HIS 39 -5.884 -5.013 -16.366 270 HE1 HIS 39 1HE HIS 39 -6.117 -1.921 -19.261 271 HE2 HIS 39 2HE HIS 39 -6.687 -4.315 -18.723 272 H SER 40 H SER 40 -3.620 -5.411 -12.824 273 HA SER 40 HA SER 40 -2.942 -3.695 -10.530 274 HB2 SER 40 1HB SER 40 -2.665 -6.701 -10.672 275 HB3 SER 40 2HB SER 40 -2.573 -5.679 -9.238 276 HG SER 40 HG SER 40 -4.631 -6.015 -9.071 277 H PHE 41 H PHE 41 -0.779 -3.656 -9.774 278 HA PHE 41 HA PHE 41 1.281 -4.831 -11.458 279 HB2 PHE 41 1HB PHE 41 1.496 -1.894 -10.895 280 HB3 PHE 41 2HB PHE 41 2.295 -2.848 -12.141 281 HD1 PHE 41 1HD PHE 41 -1.006 -1.503 -11.116 282 HD2 PHE 41 2HD PHE 41 1.421 -2.958 -14.296 283 HE1 PHE 41 1HE PHE 41 -2.723 -0.813 -12.738 284 HE2 PHE 41 2HE PHE 41 -0.292 -2.269 -15.923 285 HZ PHE 41 HZ PHE 41 -2.366 -1.194 -15.145 286 H CYS 42 H CYS 42 3.426 -4.678 -10.515 287 HA CYS 42 HA CYS 42 3.577 -5.399 -7.877 288 HB2 CYS 42 1HB CYS 42 5.765 -3.885 -9.308 289 HB3 CYS 42 2HB CYS 42 5.949 -5.060 -8.010 290 H ARG 43 H ARG 43 3.352 -4.391 -5.996 291 HA ARG 43 HA ARG 43 2.383 -1.974 -5.476 292 HB2 ARG 43 1HB ARG 43 2.894 -3.578 -3.711 293 HB3 ARG 43 2HB ARG 43 4.615 -3.270 -3.902 294 HG2 ARG 43 1HG ARG 43 4.168 -1.967 -2.089 295 HG3 ARG 43 2HG ARG 43 3.898 -0.797 -3.383 296 HD2 ARG 43 1HD ARG 43 1.446 -1.654 -3.283 297 HD3 ARG 43 2HD ARG 43 1.904 -2.243 -1.685 298 HE ARG 43 HE ARG 43 2.706 0.335 -1.635 299 HH11 ARG 43 1HH1 ARG 43 -0.301 -1.207 -2.472 300 HH12 ARG 43 2HH1 ARG 43 -1.279 0.131 -1.968 301 HH21 ARG 43 1HH2 ARG 43 1.429 2.104 -0.967 302 HH22 ARG 43 2HH2 ARG 43 -0.293 2.015 -1.113 303 H ALA 44 H ALA 44 5.814 -2.596 -6.088 304 HA ALA 44 HA ALA 44 6.588 0.141 -5.749 305 HB1 ALA 44 3HB ALA 44 8.765 -0.547 -6.347 306 HB2 ALA 44 1HB ALA 44 8.073 -1.880 -5.421 307 HB3 ALA 44 2HB ALA 44 8.166 -1.981 -7.180 308 H CYS 45 H CYS 45 6.709 -1.955 -8.638 309 HA CYS 45 HA CYS 45 7.256 -0.263 -10.615 310 HB2 CYS 45 1HB CYS 45 5.178 -2.427 -10.506 311 HB3 CYS 45 2HB CYS 45 5.407 -1.491 -11.980 312 H ILE 46 H ILE 46 3.842 -0.755 -9.699 313 HA ILE 46 HA ILE 46 2.660 1.239 -11.109 314 HB ILE 46 HB ILE 46 1.448 -0.344 -9.638 315 HG12 ILE 46 1HG1 ILE 46 0.635 2.445 -8.867 316 HG13 ILE 46 2HG1 ILE 46 0.533 1.912 -10.541 317 HG21 ILE 46 1HG2 ILE 46 3.053 0.193 -7.680 318 HG22 ILE 46 2HG2 ILE 46 1.932 1.510 -7.342 319 HG23 ILE 46 3HG2 ILE 46 1.361 -0.158 -7.330 320 HD11 ILE 46 3HD1 ILE 46 -0.899 0.027 -9.777 321 HD12 ILE 46 1HD1 ILE 46 -0.901 0.751 -8.169 322 HD13 ILE 46 2HD1 ILE 46 -1.601 1.626 -9.531 323 H THR 47 H THR 47 4.386 1.591 -8.046 324 HA THR 47 HA THR 47 3.783 4.327 -7.647 325 HB THR 47 HB THR 47 6.170 2.766 -6.637 326 HG1 THR 47 1HG THR 47 4.839 1.965 -5.194 327 HG21 THR 47 3HG2 THR 47 5.383 4.743 -4.807 328 HG22 THR 47 1HG2 THR 47 5.416 5.531 -6.384 329 HG23 THR 47 2HG2 THR 47 6.853 4.707 -5.779 330 H LEU 48 H LEU 48 6.655 2.710 -8.995 331 HA LEU 48 HA LEU 48 8.093 5.047 -9.588 332 HB2 LEU 48 1HB LEU 48 8.170 2.234 -10.593 333 HB3 LEU 48 2HB LEU 48 9.151 3.472 -11.375 334 HG LEU 48 HG LEU 48 10.178 3.925 -9.119 335 HD11 LEU 48 1HD1 LEU 48 9.947 1.649 -7.730 336 HD12 LEU 48 2HD1 LEU 48 8.329 1.730 -8.425 337 HD13 LEU 48 3HD1 LEU 48 8.934 3.063 -7.442 338 HD21 LEU 48 3HD2 LEU 48 10.520 1.490 -10.765 339 HD22 LEU 48 1HD2 LEU 48 11.342 1.524 -9.204 340 HD23 LEU 48 2HD2 LEU 48 11.662 2.784 -10.396 341 H ASN 49 H ASN 49 5.687 3.244 -11.419 342 HA ASN 49 HA ASN 49 6.028 4.780 -13.817 343 HB2 ASN 49 1HB ASN 49 4.289 2.574 -12.901 344 HB3 ASN 49 2HB ASN 49 3.579 3.640 -14.110 345 HD21 ASN 49 1HD2 ASN 49 6.315 1.554 -13.408 346 HD22 ASN 49 2HD2 ASN 49 6.709 1.206 -15.054 347 H TYR 50 H TYR 50 3.795 4.811 -11.085 348 HA TYR 50 HA TYR 50 2.037 6.769 -12.131 349 HB2 TYR 50 1HB TYR 50 1.057 5.631 -10.388 350 HB3 TYR 50 2HB TYR 50 2.543 5.572 -9.447 351 HD1 TYR 50 2HD TYR 50 0.604 8.425 -10.886 352 HD2 TYR 50 1HD TYR 50 2.156 6.556 -7.393 353 HE1 TYR 50 2HE TYR 50 -0.186 10.318 -9.529 354 HE2 TYR 50 1HE TYR 50 1.369 8.443 -6.026 355 HH TYR 50 HH TYR 50 0.639 11.326 -7.119 356 H GLU 51 H GLU 51 4.790 6.977 -9.894 357 HA GLU 51 HA GLU 51 4.624 9.794 -9.563 358 HB2 GLU 51 1HB GLU 51 6.926 7.890 -9.099 359 HB3 GLU 51 2HB GLU 51 6.905 9.574 -8.594 360 HG2 GLU 51 1HG GLU 51 4.746 7.715 -7.704 361 HG3 GLU 51 2HG GLU 51 6.312 7.716 -6.896 362 H SER 52 H SER 52 7.059 7.829 -11.282 363 HA SER 52 HA SER 52 8.559 9.698 -12.494 364 HB2 SER 52 1HB SER 52 8.981 7.362 -12.900 365 HB3 SER 52 2HB SER 52 7.449 7.182 -13.755 366 HG SER 52 HG SER 52 9.835 8.379 -14.593 367 H ASN 53 H ASN 53 5.465 8.531 -13.822 368 HA ASN 53 HA ASN 53 5.316 11.018 -15.397 369 HB2 ASN 53 1HB ASN 53 4.049 8.358 -16.084 370 HB3 ASN 53 2HB ASN 53 4.047 9.812 -17.078 371 HD21 ASN 53 1HD2 ASN 53 6.046 7.267 -15.740 372 HD22 ASN 53 2HD2 ASN 53 7.326 7.407 -16.891 373 H ARG 54 H ARG 54 3.859 12.373 -14.606 374 HA ARG 54 HA ARG 54 1.406 11.260 -13.411 375 HB2 ARG 54 1HB ARG 54 3.072 13.631 -12.601 376 HB3 ARG 54 2HB ARG 54 1.384 13.493 -12.126 377 HG2 ARG 54 1HG ARG 54 1.803 11.537 -10.862 378 HG3 ARG 54 2HG ARG 54 3.424 11.368 -11.539 379 HD2 ARG 54 1HD ARG 54 2.577 13.753 -9.914 380 HD3 ARG 54 2HD ARG 54 3.268 12.302 -9.187 381 HE ARG 54 HE ARG 54 4.825 13.505 -11.313 382 HH11 ARG 54 1HH1 ARG 54 4.247 13.256 -7.889 383 HH12 ARG 54 2HH1 ARG 54 5.823 13.826 -7.449 384 HH21 ARG 54 1HH2 ARG 54 6.903 14.257 -10.747 385 HH22 ARG 54 2HH2 ARG 54 7.332 14.396 -9.076 386 H ASN 55 H ASN 55 -0.391 12.996 -13.369 387 HA ASN 55 HA ASN 55 -0.682 13.955 -16.105 388 HB2 ASN 55 1HB ASN 55 -2.439 12.619 -14.662 389 HB3 ASN 55 2HB ASN 55 -2.838 14.221 -14.047 390 HD21 ASN 55 1HD2 ASN 55 -4.220 15.405 -15.166 391 HD22 ASN 55 2HD2 ASN 55 -4.724 15.100 -16.790 392 H THR 56 H THR 56 -1.494 16.092 -16.561 393 HA THR 56 HA THR 56 -0.028 18.151 -15.460 394 HB THR 56 HB THR 56 -1.109 18.435 -17.598 395 HG1 THR 56 1HG THR 56 -1.199 20.500 -17.178 396 HG21 THR 56 3HG2 THR 56 -3.571 17.899 -16.020 397 HG22 THR 56 1HG2 THR 56 -3.130 17.364 -17.641 398 HG23 THR 56 2HG2 THR 56 -3.690 19.016 -17.379 399 H ASP 57 H ASP 57 -2.951 16.712 -14.298 400 HA ASP 57 HA ASP 57 -3.468 18.899 -12.441 401 HB2 ASP 57 1HB ASP 57 -4.937 16.296 -12.912 402 HB3 ASP 57 2HB ASP 57 -5.446 17.547 -11.781 403 H GLY 58 H GLY 58 -2.471 15.506 -12.416 404 HA2 GLY 58 1HA GLY 58 -0.678 15.130 -10.662 405 HA3 GLY 58 2HA GLY 58 -1.863 15.782 -9.540 406 H LYS 59 H LYS 59 -2.529 13.602 -12.229 407 HA LYS 59 HA LYS 59 -3.444 11.606 -10.268 408 HB2 LYS 59 1HB LYS 59 -4.357 12.230 -13.072 409 HB3 LYS 59 2HB LYS 59 -4.795 10.735 -12.255 410 HG2 LYS 59 1HG LYS 59 -5.323 13.357 -10.931 411 HG3 LYS 59 2HG LYS 59 -6.405 12.771 -12.196 412 HD2 LYS 59 1HD LYS 59 -5.635 11.107 -9.808 413 HD3 LYS 59 2HD LYS 59 -7.037 12.180 -9.814 414 HE2 LYS 59 1HE LYS 59 -6.565 9.955 -11.794 415 HE3 LYS 59 2HE LYS 59 -7.586 9.824 -10.363 416 HZ1 LYS 59 3HZ LYS 59 -8.015 11.836 -12.500 417 HZ2 LYS 59 1HZ LYS 59 -9.057 11.456 -11.223 418 HZ3 LYS 59 2HZ LYS 59 -8.793 10.335 -12.461 419 H GLY 60 H GLY 60 -3.481 9.307 -11.350 420 HA2 GLY 60 1HA GLY 60 -0.757 8.867 -12.387 421 HA3 GLY 60 2HA GLY 60 -1.685 7.696 -11.463 422 H ASN 61 H ASN 61 -0.419 7.953 -14.315 423 HA ASN 61 HA ASN 61 -2.778 7.134 -15.856 424 HB2 ASN 61 1HB ASN 61 -1.058 7.281 -17.794 425 HB3 ASN 61 2HB ASN 61 -1.657 8.776 -17.081 426 HD21 ASN 61 1HD2 ASN 61 0.943 6.410 -16.598 427 HD22 ASN 61 2HD2 ASN 61 2.175 7.577 -16.276 428 H CYS 62 H CYS 62 -2.966 5.132 -16.753 429 HA CYS 62 HA CYS 62 -1.266 3.061 -15.670 430 HB2 CYS 62 1HB CYS 62 -3.688 2.721 -15.752 431 HB3 CYS 62 2HB CYS 62 -3.666 2.896 -17.504 432 HA PRO 63 HA PRO 63 1.418 3.016 -19.209 433 HB2 PRO 63 1HB PRO 63 2.839 0.821 -18.478 434 HB3 PRO 63 2HB PRO 63 3.078 2.410 -17.741 435 HG2 PRO 63 1HG PRO 63 1.510 0.069 -16.729 436 HG3 PRO 63 2HG PRO 63 2.601 1.151 -15.845 437 HD2 PRO 63 1HD PRO 63 -0.093 1.408 -15.755 438 HD3 PRO 63 2HD PRO 63 1.004 2.799 -15.638 439 H VAL 64 H VAL 64 -1.188 1.153 -18.699 440 HA VAL 64 HA VAL 64 -0.578 -0.652 -20.950 441 HB VAL 64 HB VAL 64 -2.531 -1.081 -18.685 442 HG11 VAL 64 1HG1 VAL 64 -3.269 -3.022 -19.701 443 HG12 VAL 64 2HG1 VAL 64 -3.102 -1.928 -21.076 444 HG13 VAL 64 3HG1 VAL 64 -1.857 -3.134 -20.750 445 HG21 VAL 64 3HG2 VAL 64 -0.074 -1.385 -18.203 446 HG22 VAL 64 1HG2 VAL 64 -1.086 -2.804 -17.930 447 HG23 VAL 64 2HG2 VAL 64 -0.088 -2.698 -19.380 448 H CYS 65 H CYS 65 -3.301 1.004 -19.348 449 HA CYS 65 HA CYS 65 -4.587 1.262 -21.983 450 HB2 CYS 65 1HB CYS 65 -6.692 1.596 -20.732 451 HB3 CYS 65 2HB CYS 65 -5.942 0.045 -20.365 452 H ARG 66 H ARG 66 -2.960 2.981 -19.582 453 HA ARG 66 HA ARG 66 -2.547 5.189 -19.225 454 HB2 ARG 66 1HB ARG 66 -3.614 5.382 -22.046 455 HB3 ARG 66 2HB ARG 66 -2.849 6.713 -21.187 456 HG2 ARG 66 1HG ARG 66 -1.448 4.093 -21.583 457 HG3 ARG 66 2HG ARG 66 -1.425 5.358 -22.814 458 HD2 ARG 66 1HD ARG 66 -0.716 6.860 -20.768 459 HD3 ARG 66 2HD ARG 66 -0.193 5.313 -20.104 460 HE ARG 66 HE ARG 66 1.492 5.225 -21.680 461 HH11 ARG 66 1HH1 ARG 66 -0.671 7.864 -22.372 462 HH12 ARG 66 2HH1 ARG 66 0.374 8.582 -23.552 463 HH21 ARG 66 1HH2 ARG 66 2.877 6.162 -23.232 464 HH22 ARG 66 2HH2 ARG 66 2.391 7.613 -24.041 465 H VAL 67 H VAL 67 -4.881 4.284 -18.101 466 HA VAL 67 HA VAL 67 -6.858 6.398 -18.612 467 HB VAL 67 HB VAL 67 -7.114 3.773 -17.142 468 HG11 VAL 67 1HG1 VAL 67 -8.931 4.514 -16.103 469 HG12 VAL 67 2HG1 VAL 67 -8.545 6.139 -16.673 470 HG13 VAL 67 3HG1 VAL 67 -9.613 5.102 -17.620 471 HG21 VAL 67 3HG2 VAL 67 -7.111 3.979 -19.739 472 HG22 VAL 67 1HG2 VAL 67 -8.341 2.999 -18.940 473 HG23 VAL 67 2HG2 VAL 67 -8.737 4.623 -19.505 474 HA PRO 68 HA PRO 68 -5.509 8.431 -14.913 475 HB2 PRO 68 1HB PRO 68 -7.555 10.208 -14.753 476 HB3 PRO 68 2HB PRO 68 -6.231 10.371 -15.912 477 HG2 PRO 68 1HG PRO 68 -8.989 9.285 -16.328 478 HG3 PRO 68 2HG PRO 68 -8.044 10.367 -17.367 479 HD2 PRO 68 1HD PRO 68 -8.272 7.713 -17.854 480 HD3 PRO 68 2HD PRO 68 -6.813 8.637 -18.264 481 H TYR 69 H TYR 69 -5.710 7.086 -13.186 482 HA TYR 69 HA TYR 69 -8.405 6.782 -12.032 483 HB2 TYR 69 1HB TYR 69 -7.727 4.640 -11.124 484 HB3 TYR 69 2HB TYR 69 -7.442 4.648 -12.861 485 HD1 TYR 69 2HD TYR 69 -5.161 4.704 -13.747 486 HD2 TYR 69 1HD TYR 69 -5.891 4.538 -9.559 487 HE1 TYR 69 2HE TYR 69 -2.820 4.051 -13.371 488 HE2 TYR 69 1HE TYR 69 -3.552 3.886 -9.171 489 HH TYR 69 HH TYR 69 -1.437 3.919 -10.193 490 HA PRO 70 HA PRO 70 -6.955 8.852 -8.436 491 HB2 PRO 70 1HB PRO 70 -8.599 7.761 -6.572 492 HB3 PRO 70 2HB PRO 70 -9.152 8.936 -7.771 493 HG2 PRO 70 1HG PRO 70 -9.408 5.954 -7.784 494 HG3 PRO 70 2HG PRO 70 -10.611 7.182 -8.221 495 HD2 PRO 70 1HD PRO 70 -9.178 5.823 -10.073 496 HD3 PRO 70 2HD PRO 70 -9.711 7.498 -10.319 497 H PHE 71 H PHE 71 -5.058 8.440 -7.503 498 HA PHE 71 HA PHE 71 -3.947 5.928 -7.069 499 HB2 PHE 71 1HB PHE 71 -2.776 8.199 -7.114 500 HB3 PHE 71 2HB PHE 71 -3.254 8.361 -5.427 501 HD1 PHE 71 1HD PHE 71 -1.777 5.661 -7.546 502 HD2 PHE 71 2HD PHE 71 -1.562 7.932 -3.952 503 HE1 PHE 71 1HE PHE 71 0.216 4.389 -6.866 504 HE2 PHE 71 2HE PHE 71 0.432 6.665 -3.267 505 HZ PHE 71 HZ PHE 71 1.324 4.891 -4.724 506 H GLY 72 H GLY 72 -5.851 7.975 -4.918 507 HA2 GLY 72 1HA GLY 72 -5.502 6.235 -2.646 508 HA3 GLY 72 2HA GLY 72 -6.578 7.621 -2.747 509 H ASN 73 H ASN 73 -6.474 4.789 -4.867 510 HA ASN 73 HA ASN 73 -9.079 3.949 -3.798 511 HB2 ASN 73 1HB ASN 73 -9.358 5.292 -5.903 512 HB3 ASN 73 2HB ASN 73 -8.430 4.057 -6.750 513 HD21 ASN 73 1HD2 ASN 73 -10.836 4.527 -7.710 514 HD22 ASN 73 2HD2 ASN 73 -11.949 3.272 -7.300 515 H LEU 74 H LEU 74 -6.189 3.120 -5.636 516 HA LEU 74 HA LEU 74 -6.391 0.562 -6.321 517 HB2 LEU 74 1HB LEU 74 -4.128 1.593 -4.618 518 HB3 LEU 74 2HB LEU 74 -4.070 0.198 -5.693 519 HG LEU 74 HG LEU 74 -4.718 2.877 -6.836 520 HD11 LEU 74 1HD1 LEU 74 -2.547 3.632 -6.874 521 HD12 LEU 74 2HD1 LEU 74 -1.868 2.030 -6.587 522 HD13 LEU 74 3HD1 LEU 74 -2.635 2.911 -5.266 523 HD21 LEU 74 3HD2 LEU 74 -3.465 1.913 -8.746 524 HD22 LEU 74 1HD2 LEU 74 -4.879 0.964 -8.285 525 HD23 LEU 74 2HD2 LEU 74 -3.266 0.424 -7.820 526 H LYS 75 H LYS 75 -6.557 -1.450 -5.443 527 HA LYS 75 HA LYS 75 -6.950 -1.582 -2.525 528 HB2 LYS 75 1HB LYS 75 -8.682 -3.127 -2.801 529 HB3 LYS 75 2HB LYS 75 -8.962 -1.963 -4.088 530 HG2 LYS 75 1HG LYS 75 -9.216 -3.884 -5.266 531 HG3 LYS 75 2HG LYS 75 -7.476 -3.665 -5.461 532 HD2 LYS 75 1HD LYS 75 -7.685 -5.904 -4.839 533 HD3 LYS 75 2HD LYS 75 -7.269 -5.091 -3.329 534 HE2 LYS 75 1HE LYS 75 -9.022 -6.461 -2.691 535 HE3 LYS 75 2HE LYS 75 -9.835 -4.928 -3.001 536 HZ1 LYS 75 3HZ LYS 75 -10.775 -7.124 -3.980 537 HZ2 LYS 75 1HZ LYS 75 -9.599 -6.890 -5.174 538 HZ3 LYS 75 2HZ LYS 75 -10.787 -5.714 -4.915 539 HA PRO 76 HA PRO 76 -3.748 -4.574 -2.251 540 HB2 PRO 76 1HB PRO 76 -4.641 -6.099 -0.190 541 HB3 PRO 76 2HB PRO 76 -4.007 -4.463 0.029 542 HG2 PRO 76 1HG PRO 76 -6.850 -5.389 -0.118 543 HG3 PRO 76 2HG PRO 76 -6.112 -4.214 0.986 544 HD2 PRO 76 1HD PRO 76 -7.548 -3.470 -1.186 545 HD3 PRO 76 2HD PRO 76 -6.181 -2.517 -0.573 546 H ASN 77 H ASN 77 -3.618 -5.936 -3.954 547 HA ASN 77 HA ASN 77 -5.695 -7.829 -4.567 548 HB2 ASN 77 1HB ASN 77 -4.341 -6.744 -6.335 549 HB3 ASN 77 2HB ASN 77 -2.912 -7.578 -5.732 550 HD21 ASN 77 1HD2 ASN 77 -2.720 -8.477 -7.845 551 HD22 ASN 77 2HD2 ASN 77 -3.678 -9.841 -8.302 552 H LEU 78 H LEU 78 -3.809 -7.873 -2.061 553 HA LEU 78 HA LEU 78 -2.541 -9.426 -0.899 554 HB2 LEU 78 1HB LEU 78 -5.105 -10.795 -1.662 555 HB3 LEU 78 2HB LEU 78 -3.950 -11.513 -0.541 556 HG LEU 78 HG LEU 78 -5.470 -8.936 -0.153 557 HD11 LEU 78 1HD1 LEU 78 -6.130 -10.463 1.931 558 HD12 LEU 78 2HD1 LEU 78 -5.839 -11.731 0.740 559 HD13 LEU 78 3HD1 LEU 78 -7.031 -10.473 0.415 560 HD21 LEU 78 3HD2 LEU 78 -4.416 -9.360 2.232 561 HD22 LEU 78 1HD2 LEU 78 -3.554 -8.451 0.990 562 HD23 LEU 78 2HD2 LEU 78 -3.160 -10.146 1.275 563 H HIS 79 H HIS 79 -1.507 -9.332 -3.450 564 HA HIS 79 HA HIS 79 -0.550 -10.576 -5.153 565 HB2 HIS 79 1HB HIS 79 1.098 -10.573 -3.342 566 HB3 HIS 79 2HB HIS 79 0.365 -12.019 -2.655 567 HD2 HIS 79 2HD HIS 79 2.823 -13.376 -3.057 568 HE1 HIS 79 1HE HIS 79 2.476 -13.470 -7.285 569 HE2 HIS 79 2HE HIS 79 3.660 -14.416 -5.273 570 H VAL 80 H VAL 80 -3.099 -11.362 -5.190 571 HA VAL 80 HA VAL 80 -2.965 -14.305 -5.331 572 HB VAL 80 HB VAL 80 -4.571 -13.692 -3.654 573 HG11 VAL 80 1HG1 VAL 80 -6.633 -12.357 -4.926 574 HG12 VAL 80 2HG1 VAL 80 -5.483 -11.661 -3.783 575 HG13 VAL 80 3HG1 VAL 80 -5.179 -11.552 -5.517 576 HG21 VAL 80 3HG2 VAL 80 -5.646 -15.463 -4.496 577 HG22 VAL 80 1HG2 VAL 80 -6.738 -14.295 -5.241 578 HG23 VAL 80 2HG2 VAL 80 -5.378 -14.941 -6.159 579 H ALA 81 H ALA 81 -3.106 -15.143 -7.300 580 HA ALA 81 HA ALA 81 -3.300 -13.647 -9.638 581 HB1 ALA 81 3HB ALA 81 -2.560 -15.584 -10.427 582 HB2 ALA 81 1HB ALA 81 -3.026 -16.407 -8.938 583 HB3 ALA 81 2HB ALA 81 -4.186 -16.245 -10.257 584 H ASN 82 H ASN 82 -4.961 -13.729 -11.315 585 HA ASN 82 HA ASN 82 -7.488 -12.949 -10.334 586 HB2 ASN 82 1HB ASN 82 -6.386 -13.526 -13.065 587 HB3 ASN 82 2HB ASN 82 -8.111 -13.244 -12.855 588 HD21 ASN 82 1HD2 ASN 82 -8.448 -11.271 -11.253 589 HD22 ASN 82 2HD2 ASN 82 -7.593 -9.846 -11.728 590 H ILE 83 H ILE 83 -6.385 -15.919 -11.934 591 HA ILE 83 HA ILE 83 -8.981 -17.161 -11.676 592 HB ILE 83 HB ILE 83 -6.344 -18.333 -12.568 593 HG12 ILE 83 1HG1 ILE 83 -7.126 -16.575 -14.067 594 HG13 ILE 83 2HG1 ILE 83 -7.313 -18.149 -14.834 595 HG21 ILE 83 1HG2 ILE 83 -8.008 -19.966 -11.656 596 HG22 ILE 83 2HG2 ILE 83 -9.106 -19.470 -12.944 597 HG23 ILE 83 3HG2 ILE 83 -7.564 -20.228 -13.343 598 HD11 ILE 83 3HD1 ILE 83 -9.231 -16.714 -15.246 599 HD12 ILE 83 1HD1 ILE 83 -9.687 -18.133 -14.303 600 HD13 ILE 83 2HD1 ILE 83 -9.504 -16.568 -13.510 601 H VAL 84 H VAL 84 -9.650 -17.941 -9.795 602 HA VAL 84 HA VAL 84 -7.841 -19.603 -8.217 603 HB VAL 84 HB VAL 84 -9.389 -17.298 -7.024 604 HG11 VAL 84 1HG1 VAL 84 -8.831 -18.041 -4.911 605 HG12 VAL 84 2HG1 VAL 84 -9.163 -19.559 -5.747 606 HG13 VAL 84 3HG1 VAL 84 -7.498 -19.034 -5.497 607 HG21 VAL 84 3HG2 VAL 84 -7.288 -16.680 -8.196 608 HG22 VAL 84 1HG2 VAL 84 -7.248 -16.355 -6.463 609 HG23 VAL 84 2HG2 VAL 84 -6.410 -17.763 -7.117 610 H GLU 85 H GLU 85 -8.836 -21.453 -7.797 611 HA GLU 85 HA GLU 85 -11.640 -21.786 -8.238 612 HB2 GLU 85 1HB GLU 85 -10.174 -23.605 -8.792 613 HB3 GLU 85 2HB GLU 85 -9.518 -23.643 -7.162 614 HG2 GLU 85 1HG GLU 85 -11.054 -25.481 -7.524 615 HG3 GLU 85 2HG GLU 85 -11.674 -24.377 -6.299 Start of MODEL 16 1 H1 GLY 1 H GLY 1 10.708 21.919 -19.772 2 HA2 GLY 1 1HA GLY 1 8.700 20.175 -20.774 3 HA3 GLY 1 2HA GLY 1 9.918 20.477 -22.005 4 H SER 2 H SER 2 9.471 17.933 -21.042 5 HA SER 2 HA SER 2 12.086 17.324 -19.944 6 HB2 SER 2 1HB SER 2 9.550 16.453 -18.535 7 HB3 SER 2 2HB SER 2 11.178 15.903 -18.136 8 HG SER 2 HG SER 2 11.669 17.863 -17.351 9 H SER 3 H SER 3 12.630 15.055 -20.108 10 HA SER 3 HA SER 3 10.892 13.204 -21.401 11 HB2 SER 3 1HB SER 3 11.753 14.911 -23.219 12 HB3 SER 3 2HB SER 3 13.218 13.932 -23.140 13 HG SER 3 HG SER 3 11.962 12.115 -23.657 14 H GLY 4 H GLY 4 11.667 11.124 -21.299 15 HA2 GLY 4 1HA GLY 4 14.472 10.713 -20.566 16 HA3 GLY 4 2HA GLY 4 13.246 10.168 -19.431 17 H SER 5 H SER 5 14.986 8.339 -20.378 18 HA SER 5 HA SER 5 13.266 6.429 -21.592 19 HB2 SER 5 1HB SER 5 14.358 6.107 -23.701 20 HB3 SER 5 2HB SER 5 13.969 7.823 -23.580 21 HG SER 5 HG SER 5 16.014 8.237 -23.725 22 H SER 6 H SER 6 14.248 4.316 -21.757 23 HA SER 6 HA SER 6 16.924 3.823 -20.958 24 HB2 SER 6 1HB SER 6 14.788 3.768 -18.860 25 HB3 SER 6 2HB SER 6 16.100 2.592 -18.780 26 HG SER 6 HG SER 6 17.569 4.293 -18.700 27 H GLY 7 H GLY 7 17.192 1.410 -20.363 28 HA2 GLY 7 1HA GLY 7 15.136 -0.381 -21.264 29 HA3 GLY 7 2HA GLY 7 16.419 -0.182 -22.448 30 H MET 8 H MET 8 15.622 -2.564 -20.940 31 HA MET 8 HA MET 8 18.269 -3.231 -19.907 32 HB2 MET 8 1HB MET 8 15.753 -3.201 -18.322 33 HB3 MET 8 2HB MET 8 16.853 -4.549 -18.064 34 HG2 MET 8 1HG MET 8 18.605 -3.101 -17.386 35 HG3 MET 8 2HG MET 8 17.707 -1.675 -17.903 36 HE1 MET 8 3HE MET 8 18.985 -3.482 -15.173 37 HE2 MET 8 1HE MET 8 18.942 -1.749 -14.848 38 HE3 MET 8 2HE MET 8 18.087 -2.866 -13.785 39 H ALA 9 H ALA 9 18.437 -5.640 -19.492 40 HA ALA 9 HA ALA 9 17.439 -7.020 -21.808 41 HB1 ALA 9 3HB ALA 9 19.620 -7.316 -20.032 42 HB2 ALA 9 1HB ALA 9 18.690 -8.815 -19.987 43 HB3 ALA 9 2HB ALA 9 19.296 -8.198 -21.524 44 H SER 10 H SER 10 16.403 -9.159 -21.664 45 HA SER 10 HA SER 10 14.594 -9.362 -19.347 46 HB2 SER 10 1HB SER 10 13.881 -9.925 -22.236 47 HB3 SER 10 2HB SER 10 12.801 -10.076 -20.850 48 HG SER 10 HG SER 10 13.416 -7.729 -20.536 49 H SER 11 H SER 11 15.947 -10.928 -18.402 50 HA SER 11 HA SER 11 15.968 -13.523 -19.800 51 HB2 SER 11 1HB SER 11 17.996 -14.069 -18.475 52 HB3 SER 11 2HB SER 11 18.238 -12.678 -19.532 53 HG SER 11 HG SER 11 17.320 -12.100 -16.989 54 H VAL 12 H VAL 12 14.089 -14.355 -18.967 55 HA VAL 12 HA VAL 12 13.964 -14.642 -16.035 56 HB VAL 12 HB VAL 12 11.546 -14.919 -16.253 57 HG11 VAL 12 1HG1 VAL 12 12.992 -12.551 -16.604 58 HG12 VAL 12 2HG1 VAL 12 11.653 -12.464 -17.750 59 HG13 VAL 12 3HG1 VAL 12 11.332 -12.717 -16.034 60 HG21 VAL 12 3HG2 VAL 12 10.392 -14.625 -18.340 61 HG22 VAL 12 1HG2 VAL 12 11.906 -14.278 -19.177 62 HG23 VAL 12 2HG2 VAL 12 11.600 -15.894 -18.542 63 H LEU 13 H LEU 13 13.146 -16.650 -15.199 64 HA LEU 13 HA LEU 13 14.184 -18.918 -16.613 65 HB2 LEU 13 1HB LEU 13 12.735 -18.625 -13.993 66 HB3 LEU 13 2HB LEU 13 13.283 -20.177 -14.622 67 HG LEU 13 HG LEU 13 15.609 -18.903 -14.700 68 HD11 LEU 13 1HD1 LEU 13 14.234 -17.578 -12.372 69 HD12 LEU 13 2HD1 LEU 13 14.556 -16.781 -13.911 70 HD13 LEU 13 3HD1 LEU 13 15.896 -17.347 -12.915 71 HD21 LEU 13 3HD2 LEU 13 15.835 -19.678 -12.211 72 HD22 LEU 13 1HD2 LEU 13 15.577 -20.859 -13.495 73 HD23 LEU 13 2HD2 LEU 13 14.225 -20.345 -12.486 74 H GLU 14 H GLU 14 13.068 -20.682 -17.429 75 HA GLU 14 HA GLU 14 10.692 -20.217 -18.777 76 HB2 GLU 14 1HB GLU 14 10.569 -22.719 -19.004 77 HB3 GLU 14 2HB GLU 14 12.100 -22.005 -19.490 78 HG2 GLU 14 1HG GLU 14 13.211 -22.805 -17.604 79 HG3 GLU 14 2HG GLU 14 11.708 -23.113 -16.737 80 H MET 15 H MET 15 8.595 -20.278 -18.257 81 HA MET 15 HA MET 15 7.476 -21.916 -16.248 82 HB2 MET 15 1HB MET 15 6.862 -20.245 -14.594 83 HB3 MET 15 2HB MET 15 8.611 -20.311 -14.760 84 HG2 MET 15 1HG MET 15 8.190 -18.362 -16.473 85 HG3 MET 15 2HG MET 15 6.709 -18.168 -15.538 86 HE1 MET 15 3HE MET 15 8.770 -15.283 -14.619 87 HE2 MET 15 1HE MET 15 7.302 -15.973 -15.313 88 HE3 MET 15 2HE MET 15 7.415 -15.708 -13.573 89 H ILE 16 H ILE 16 5.473 -22.286 -16.918 90 HA ILE 16 HA ILE 16 4.241 -20.517 -18.849 91 HB ILE 16 HB ILE 16 3.380 -23.169 -17.701 92 HG12 ILE 16 1HG1 ILE 16 4.063 -22.507 -20.559 93 HG13 ILE 16 2HG1 ILE 16 5.306 -22.956 -19.396 94 HG21 ILE 16 1HG2 ILE 16 1.442 -21.694 -18.217 95 HG22 ILE 16 2HG2 ILE 16 2.008 -21.610 -19.884 96 HG23 ILE 16 3HG2 ILE 16 1.509 -23.157 -19.199 97 HD11 ILE 16 3HD1 ILE 16 3.123 -24.604 -20.569 98 HD12 ILE 16 1HD1 ILE 16 4.839 -24.967 -20.388 99 HD13 ILE 16 2HD1 ILE 16 3.774 -25.019 -18.983 100 H LYS 17 H LYS 17 3.448 -18.700 -17.932 101 HA LYS 17 HA LYS 17 1.838 -18.909 -15.499 102 HB2 LYS 17 1HB LYS 17 3.702 -17.099 -16.108 103 HB3 LYS 17 2HB LYS 17 2.319 -16.292 -16.836 104 HG2 LYS 17 1HG LYS 17 2.493 -15.427 -14.662 105 HG3 LYS 17 2HG LYS 17 1.153 -16.574 -14.608 106 HD2 LYS 17 1HD LYS 17 2.299 -17.176 -12.713 107 HD3 LYS 17 2HD LYS 17 3.044 -18.255 -13.896 108 HE2 LYS 17 1HE LYS 17 4.787 -16.414 -14.211 109 HE3 LYS 17 2HE LYS 17 4.133 -15.706 -12.735 110 HZ1 LYS 17 3HZ LYS 17 5.671 -17.011 -11.777 111 HZ2 LYS 17 1HZ LYS 17 5.764 -18.079 -13.086 112 HZ3 LYS 17 2HZ LYS 17 4.508 -18.226 -11.962 113 H GLU 18 H GLU 18 -0.302 -18.251 -15.381 114 HA GLU 18 HA GLU 18 -1.808 -18.544 -17.811 115 HB2 GLU 18 1HB GLU 18 -2.547 -18.110 -14.929 116 HB3 GLU 18 2HB GLU 18 -3.760 -18.047 -16.199 117 HG2 GLU 18 1HG GLU 18 -1.954 -20.408 -16.035 118 HG3 GLU 18 2HG GLU 18 -3.294 -20.262 -14.899 119 H GLU 19 H GLU 19 -0.214 -16.364 -18.140 120 HA GLU 19 HA GLU 19 -0.195 -14.155 -18.694 121 HB2 GLU 19 1HB GLU 19 -2.990 -15.043 -19.199 122 HB3 GLU 19 2HB GLU 19 -2.666 -13.316 -19.249 123 HG2 GLU 19 1HG GLU 19 -0.886 -15.139 -20.778 124 HG3 GLU 19 2HG GLU 19 -2.501 -14.806 -21.403 125 H VAL 20 H VAL 20 0.113 -14.328 -16.092 126 HA VAL 20 HA VAL 20 -1.588 -12.179 -15.019 127 HB VAL 20 HB VAL 20 -1.247 -13.276 -12.741 128 HG11 VAL 20 1HG1 VAL 20 -3.129 -13.890 -14.864 129 HG12 VAL 20 2HG1 VAL 20 -2.998 -15.196 -13.684 130 HG13 VAL 20 3HG1 VAL 20 -3.419 -13.566 -13.155 131 HG21 VAL 20 3HG2 VAL 20 -0.610 -15.500 -12.569 132 HG22 VAL 20 1HG2 VAL 20 -0.910 -15.822 -14.277 133 HG23 VAL 20 2HG2 VAL 20 0.499 -14.879 -13.792 134 H THR 21 H THR 21 1.187 -12.411 -16.232 135 HA THR 21 HA THR 21 2.940 -11.726 -14.031 136 HB THR 21 HB THR 21 3.574 -11.519 -16.974 137 HG1 THR 21 1HG THR 21 3.391 -13.751 -15.279 138 HG21 THR 21 3HG2 THR 21 5.310 -11.928 -14.536 139 HG22 THR 21 1HG2 THR 21 5.168 -10.439 -15.469 140 HG23 THR 21 2HG2 THR 21 5.878 -11.875 -16.205 141 H CYS 22 H CYS 22 4.168 -9.724 -13.985 142 HA CYS 22 HA CYS 22 2.503 -7.444 -14.224 143 HB2 CYS 22 1HB CYS 22 4.293 -7.678 -12.522 144 HB3 CYS 22 2HB CYS 22 5.497 -7.555 -13.800 145 HA PRO 23 HA PRO 23 3.274 -6.610 -18.526 146 HB2 PRO 23 1HB PRO 23 1.861 -4.294 -18.624 147 HB3 PRO 23 2HB PRO 23 1.095 -5.887 -18.613 148 HG2 PRO 23 1HG PRO 23 1.505 -3.967 -16.353 149 HG3 PRO 23 2HG PRO 23 0.073 -4.933 -16.755 150 HD2 PRO 23 1HD PRO 23 1.819 -5.654 -14.816 151 HD3 PRO 23 2HD PRO 23 0.937 -6.843 -15.796 152 H ILE 24 H ILE 24 4.693 -5.238 -15.930 153 HA ILE 24 HA ILE 24 5.980 -3.106 -17.505 154 HB ILE 24 HB ILE 24 5.755 -3.391 -14.507 155 HG12 ILE 24 1HG1 ILE 24 4.729 -1.073 -16.099 156 HG13 ILE 24 2HG1 ILE 24 3.788 -2.560 -16.051 157 HG21 ILE 24 1HG2 ILE 24 7.919 -2.449 -15.201 158 HG22 ILE 24 2HG2 ILE 24 7.068 -1.202 -16.112 159 HG23 ILE 24 3HG2 ILE 24 6.917 -1.269 -14.356 160 HD11 ILE 24 3HD1 ILE 24 2.976 -1.074 -14.370 161 HD12 ILE 24 1HD1 ILE 24 3.798 -2.418 -13.578 162 HD13 ILE 24 2HD1 ILE 24 4.598 -0.852 -13.714 163 H CYS 25 H CYS 25 6.846 -5.158 -14.715 164 HA CYS 25 HA CYS 25 9.591 -5.282 -15.642 165 HB2 CYS 25 1HB CYS 25 9.986 -6.532 -13.535 166 HB3 CYS 25 2HB CYS 25 9.218 -4.970 -13.267 167 H LEU 26 H LEU 26 6.742 -7.212 -15.744 168 HA LEU 26 HA LEU 26 6.278 -9.190 -16.770 169 HB2 LEU 26 1HB LEU 26 9.135 -9.162 -17.720 170 HB3 LEU 26 2HB LEU 26 7.794 -10.081 -18.400 171 HG LEU 26 HG LEU 26 7.837 -7.074 -18.403 172 HD11 LEU 26 1HD1 LEU 26 9.602 -8.779 -19.815 173 HD12 LEU 26 2HD1 LEU 26 9.392 -7.036 -19.978 174 HD13 LEU 26 3HD1 LEU 26 8.434 -8.136 -20.969 175 HD21 LEU 26 3HD2 LEU 26 6.371 -7.562 -20.440 176 HD22 LEU 26 1HD2 LEU 26 5.679 -7.866 -18.846 177 HD23 LEU 26 2HD2 LEU 26 6.275 -9.211 -19.820 178 H GLU 27 H GLU 27 6.904 -9.273 -14.108 179 HA GLU 27 HA GLU 27 8.052 -11.950 -13.890 180 HB2 GLU 27 1HB GLU 27 8.946 -9.589 -12.228 181 HB3 GLU 27 2HB GLU 27 9.343 -11.263 -11.868 182 HG2 GLU 27 1HG GLU 27 10.693 -11.469 -13.774 183 HG3 GLU 27 2HG GLU 27 10.043 -9.997 -14.493 184 H LEU 28 H LEU 28 7.787 -12.699 -11.484 185 HA LEU 28 HA LEU 28 5.109 -12.973 -10.927 186 HB2 LEU 28 1HB LEU 28 7.601 -13.316 -9.358 187 HB3 LEU 28 2HB LEU 28 6.080 -13.302 -8.468 188 HG LEU 28 HG LEU 28 6.711 -15.185 -10.739 189 HD11 LEU 28 1HD1 LEU 28 8.150 -15.492 -8.718 190 HD12 LEU 28 2HD1 LEU 28 7.125 -16.872 -9.110 191 HD13 LEU 28 3HD1 LEU 28 6.680 -15.790 -7.790 192 HD21 LEU 28 3HD2 LEU 28 4.286 -14.465 -9.474 193 HD22 LEU 28 1HD2 LEU 28 4.700 -16.094 -8.941 194 HD23 LEU 28 2HD2 LEU 28 4.565 -15.738 -10.663 195 H LEU 29 H LEU 29 3.594 -11.622 -10.244 196 HA LEU 29 HA LEU 29 4.134 -8.958 -9.485 197 HB2 LEU 29 1HB LEU 29 1.637 -10.620 -9.198 198 HB3 LEU 29 2HB LEU 29 1.716 -8.885 -8.901 199 HG LEU 29 HG LEU 29 2.555 -9.926 -11.567 200 HD11 LEU 29 1HD1 LEU 29 0.257 -9.830 -12.367 201 HD12 LEU 29 2HD1 LEU 29 -0.312 -9.526 -10.726 202 HD13 LEU 29 3HD1 LEU 29 0.442 -11.069 -11.125 203 HD21 LEU 29 3HD2 LEU 29 2.698 -7.502 -10.724 204 HD22 LEU 29 1HD2 LEU 29 0.945 -7.480 -10.924 205 HD23 LEU 29 2HD2 LEU 29 1.986 -7.793 -12.313 206 H LYS 30 H LYS 30 4.903 -8.256 -7.618 207 HA LYS 30 HA LYS 30 4.499 -9.876 -5.204 208 HB2 LYS 30 1HB LYS 30 6.827 -9.184 -5.975 209 HB3 LYS 30 2HB LYS 30 6.386 -7.544 -5.517 210 HG2 LYS 30 1HG LYS 30 7.419 -8.211 -3.607 211 HG3 LYS 30 2HG LYS 30 5.769 -8.716 -3.236 212 HD2 LYS 30 1HD LYS 30 7.063 -10.576 -2.673 213 HD3 LYS 30 2HD LYS 30 6.443 -10.967 -4.279 214 HE2 LYS 30 1HE LYS 30 8.625 -9.955 -5.157 215 HE3 LYS 30 2HE LYS 30 9.200 -10.071 -3.495 216 HZ1 LYS 30 3HZ LYS 30 8.030 -12.434 -4.800 217 HZ2 LYS 30 1HZ LYS 30 9.165 -12.355 -3.548 218 HZ3 LYS 30 2HZ LYS 30 9.631 -12.003 -5.135 219 H GLU 31 H GLU 31 2.714 -9.299 -4.136 220 HA GLU 31 HA GLU 31 1.098 -8.033 -3.146 221 HB2 GLU 31 1HB GLU 31 3.561 -6.357 -2.704 222 HB3 GLU 31 2HB GLU 31 1.998 -5.912 -2.034 223 HG2 GLU 31 1HG GLU 31 2.839 -7.055 -0.270 224 HG3 GLU 31 2HG GLU 31 2.078 -8.392 -1.131 225 HA PRO 32 HA PRO 32 0.896 -5.245 -6.962 226 HB2 PRO 32 1HB PRO 32 -1.001 -6.654 -8.299 227 HB3 PRO 32 2HB PRO 32 0.731 -6.953 -8.490 228 HG2 PRO 32 1HG PRO 32 -1.272 -8.426 -6.823 229 HG3 PRO 32 2HG PRO 32 0.022 -9.073 -7.847 230 HD2 PRO 32 1HD PRO 32 0.257 -8.868 -5.157 231 HD3 PRO 32 2HD PRO 32 1.644 -8.695 -6.253 232 H VAL 33 H VAL 33 -0.948 -3.961 -7.608 233 HA VAL 33 HA VAL 33 -3.229 -4.115 -5.753 234 HB VAL 33 HB VAL 33 -3.295 -1.621 -5.752 235 HG11 VAL 33 1HG1 VAL 33 -1.501 -1.339 -4.118 236 HG12 VAL 33 2HG1 VAL 33 -2.350 -2.866 -3.873 237 HG13 VAL 33 3HG1 VAL 33 -0.768 -2.850 -4.654 238 HG21 VAL 33 3HG2 VAL 33 -1.271 -0.396 -6.403 239 HG22 VAL 33 1HG2 VAL 33 -0.570 -1.894 -7.016 240 HG23 VAL 33 2HG2 VAL 33 -2.008 -1.217 -7.779 241 H SER 34 H SER 34 -5.134 -4.179 -6.741 242 HA SER 34 HA SER 34 -5.350 -4.049 -9.570 243 HB2 SER 34 1HB SER 34 -7.772 -4.357 -9.180 244 HB3 SER 34 2HB SER 34 -6.808 -5.501 -8.246 245 HG SER 34 HG SER 34 -7.441 -3.091 -7.014 246 H ALA 35 H ALA 35 -6.625 -2.591 -10.826 247 HA ALA 35 HA ALA 35 -7.035 0.054 -9.602 248 HB1 ALA 35 3HB ALA 35 -4.939 0.068 -10.877 249 HB2 ALA 35 1HB ALA 35 -5.821 -0.437 -12.319 250 HB3 ALA 35 2HB ALA 35 -6.149 1.135 -11.588 251 H ASP 36 H ASP 36 -8.327 1.495 -11.193 252 HA ASP 36 HA ASP 36 -10.869 0.427 -11.510 253 HB2 ASP 36 1HB ASP 36 -9.492 2.861 -12.569 254 HB3 ASP 36 2HB ASP 36 -11.077 2.438 -13.209 255 H CYS 37 H CYS 37 -8.180 0.552 -13.762 256 HA CYS 37 HA CYS 37 -9.789 -0.510 -15.936 257 HB2 CYS 37 1HB CYS 37 -7.621 -0.436 -17.197 258 HB3 CYS 37 2HB CYS 37 -8.144 1.121 -16.562 259 H ASN 38 H ASN 38 -9.626 -2.161 -13.636 260 HA ASN 38 HA ASN 38 -8.916 -4.225 -12.884 261 HB2 ASN 38 1HB ASN 38 -9.885 -4.489 -15.694 262 HB3 ASN 38 2HB ASN 38 -9.192 -5.910 -14.917 263 HD21 ASN 38 1HD2 ASN 38 -11.821 -5.820 -15.737 264 HD22 ASN 38 2HD2 ASN 38 -12.850 -5.842 -14.349 265 H HIS 39 H HIS 39 -6.670 -2.693 -13.419 266 HA HIS 39 HA HIS 39 -4.828 -4.715 -14.512 267 HB2 HIS 39 1HB HIS 39 -4.741 -1.714 -14.832 268 HB3 HIS 39 2HB HIS 39 -3.354 -2.751 -15.156 269 HD2 HIS 39 2HD HIS 39 -5.623 -5.005 -16.621 270 HE1 HIS 39 1HE HIS 39 -5.546 -1.937 -19.550 271 HE2 HIS 39 2HE HIS 39 -6.236 -4.303 -19.034 272 H SER 40 H SER 40 -3.450 -5.461 -13.054 273 HA SER 40 HA SER 40 -2.872 -3.802 -10.689 274 HB2 SER 40 1HB SER 40 -2.629 -6.810 -10.902 275 HB3 SER 40 2HB SER 40 -2.531 -5.831 -9.438 276 HG SER 40 HG SER 40 -4.624 -6.954 -10.071 277 H PHE 41 H PHE 41 -0.754 -3.673 -9.910 278 HA PHE 41 HA PHE 41 1.381 -4.878 -11.482 279 HB2 PHE 41 1HB PHE 41 1.672 -1.961 -10.955 280 HB3 PHE 41 2HB PHE 41 2.338 -2.938 -12.259 281 HD1 PHE 41 1HD PHE 41 -0.724 -1.280 -11.035 282 HD2 PHE 41 2HD PHE 41 1.233 -3.130 -14.330 283 HE1 PHE 41 1HE PHE 41 -2.502 -0.480 -12.535 284 HE2 PHE 41 2HE PHE 41 -0.540 -2.332 -15.837 285 HZ PHE 41 HZ PHE 41 -2.411 -1.004 -14.940 286 H CYS 42 H CYS 42 3.416 -4.888 -10.427 287 HA CYS 42 HA CYS 42 3.495 -5.506 -7.798 288 HB2 CYS 42 1HB CYS 42 5.711 -3.987 -9.184 289 HB3 CYS 42 2HB CYS 42 5.876 -5.091 -7.822 290 H ARG 43 H ARG 43 3.280 -4.501 -5.905 291 HA ARG 43 HA ARG 43 2.216 -2.112 -5.412 292 HB2 ARG 43 1HB ARG 43 3.152 -3.943 -3.778 293 HB3 ARG 43 2HB ARG 43 4.535 -2.862 -3.674 294 HG2 ARG 43 1HG ARG 43 3.369 -1.245 -2.566 295 HG3 ARG 43 2HG ARG 43 1.825 -1.713 -3.281 296 HD2 ARG 43 1HD ARG 43 1.859 -2.267 -0.920 297 HD3 ARG 43 2HD ARG 43 1.812 -3.737 -1.892 298 HE ARG 43 HE ARG 43 4.482 -3.190 -1.359 299 HH11 ARG 43 1HH1 ARG 43 1.592 -3.995 0.407 300 HH12 ARG 43 2HH1 ARG 43 2.441 -4.801 1.685 301 HH21 ARG 43 1HH2 ARG 43 5.611 -4.248 0.316 302 HH22 ARG 43 2HH2 ARG 43 4.727 -4.944 1.632 303 H ALA 44 H ALA 44 5.655 -2.630 -6.043 304 HA ALA 44 HA ALA 44 6.324 0.149 -5.715 305 HB1 ALA 44 3HB ALA 44 7.789 -2.331 -6.416 306 HB2 ALA 44 1HB ALA 44 8.485 -0.797 -6.939 307 HB3 ALA 44 2HB ALA 44 8.170 -1.085 -5.228 308 H CYS 45 H CYS 45 6.381 -2.059 -8.523 309 HA CYS 45 HA CYS 45 6.991 -0.416 -10.557 310 HB2 CYS 45 1HB CYS 45 4.935 -2.597 -10.389 311 HB3 CYS 45 2HB CYS 45 5.162 -1.707 -11.891 312 H ILE 46 H ILE 46 3.637 -0.818 -9.408 313 HA ILE 46 HA ILE 46 2.467 1.151 -10.974 314 HB ILE 46 HB ILE 46 1.157 -0.447 -9.664 315 HG12 ILE 46 1HG1 ILE 46 0.443 2.317 -8.702 316 HG13 ILE 46 2HG1 ILE 46 0.284 1.857 -10.394 317 HG21 ILE 46 1HG2 ILE 46 1.231 -0.661 -7.425 318 HG22 ILE 46 2HG2 ILE 46 2.793 0.139 -7.597 319 HG23 ILE 46 3HG2 ILE 46 1.366 1.077 -7.158 320 HD11 ILE 46 3HD1 ILE 46 -1.826 1.453 -9.623 321 HD12 ILE 46 1HD1 ILE 46 -1.090 -0.134 -9.404 322 HD13 ILE 46 2HD1 ILE 46 -1.269 0.953 -8.027 323 H THR 47 H THR 47 4.212 1.429 -7.942 324 HA THR 47 HA THR 47 3.505 4.112 -7.370 325 HB THR 47 HB THR 47 5.980 2.595 -6.520 326 HG1 THR 47 1HG THR 47 4.492 1.502 -5.463 327 HG21 THR 47 3HG2 THR 47 6.052 5.102 -6.289 328 HG22 THR 47 1HG2 THR 47 6.220 4.209 -4.779 329 HG23 THR 47 2HG2 THR 47 4.682 4.969 -5.188 330 H LEU 48 H LEU 48 6.496 2.734 -8.744 331 HA LEU 48 HA LEU 48 7.725 5.185 -9.324 332 HB2 LEU 48 1HB LEU 48 8.045 2.411 -10.411 333 HB3 LEU 48 2HB LEU 48 8.971 3.757 -11.072 334 HG LEU 48 HG LEU 48 9.569 4.072 -8.486 335 HD11 LEU 48 1HD1 LEU 48 9.245 2.307 -7.172 336 HD12 LEU 48 2HD1 LEU 48 9.834 1.187 -8.399 337 HD13 LEU 48 3HD1 LEU 48 8.148 1.702 -8.413 338 HD21 LEU 48 3HD2 LEU 48 11.635 2.847 -8.938 339 HD22 LEU 48 1HD2 LEU 48 11.162 3.837 -10.318 340 HD23 LEU 48 2HD2 LEU 48 10.886 2.095 -10.347 341 H ASN 49 H ASN 49 5.809 3.029 -11.408 342 HA ASN 49 HA ASN 49 5.942 4.301 -13.807 343 HB2 ASN 49 1HB ASN 49 4.662 2.321 -13.711 344 HB3 ASN 49 2HB ASN 49 3.614 2.959 -12.448 345 HD21 ASN 49 1HD2 ASN 49 4.469 3.218 -15.841 346 HD22 ASN 49 2HD2 ASN 49 2.958 3.872 -16.364 347 H TYR 50 H TYR 50 3.613 5.088 -11.227 348 HA TYR 50 HA TYR 50 2.547 7.349 -12.570 349 HB2 TYR 50 1HB TYR 50 1.095 6.501 -10.974 350 HB3 TYR 50 2HB TYR 50 2.372 6.258 -9.788 351 HD1 TYR 50 2HD TYR 50 0.358 8.885 -11.471 352 HD2 TYR 50 1HD TYR 50 2.786 7.866 -8.130 353 HE1 TYR 50 2HE TYR 50 -0.255 11.006 -10.386 354 HE2 TYR 50 1HE TYR 50 2.179 9.983 -7.035 355 HH TYR 50 HH TYR 50 0.593 12.516 -8.684 356 H GLU 51 H GLU 51 4.740 7.088 -9.769 357 HA GLU 51 HA GLU 51 5.274 9.672 -9.205 358 HB2 GLU 51 1HB GLU 51 7.114 7.301 -9.323 359 HB3 GLU 51 2HB GLU 51 7.717 8.880 -8.841 360 HG2 GLU 51 1HG GLU 51 5.291 7.840 -7.487 361 HG3 GLU 51 2HG GLU 51 6.848 7.119 -7.083 362 H SER 52 H SER 52 6.806 7.825 -11.826 363 HA SER 52 HA SER 52 8.236 10.137 -12.788 364 HB2 SER 52 1HB SER 52 7.868 7.429 -14.093 365 HB3 SER 52 2HB SER 52 9.053 8.655 -14.546 366 HG SER 52 HG SER 52 8.986 7.680 -11.912 367 H ASN 53 H ASN 53 5.656 8.059 -14.109 368 HA ASN 53 HA ASN 53 4.973 10.202 -15.995 369 HB2 ASN 53 1HB ASN 53 4.074 7.312 -15.973 370 HB3 ASN 53 2HB ASN 53 3.733 8.495 -17.232 371 HD21 ASN 53 1HD2 ASN 53 5.273 5.883 -17.074 372 HD22 ASN 53 2HD2 ASN 53 6.781 6.247 -17.833 373 H ARG 54 H ARG 54 3.590 11.586 -15.060 374 HA ARG 54 HA ARG 54 1.024 10.541 -14.163 375 HB2 ARG 54 1HB ARG 54 1.023 11.775 -12.089 376 HB3 ARG 54 2HB ARG 54 2.431 10.723 -12.124 377 HG2 ARG 54 1HG ARG 54 3.906 12.489 -12.403 378 HG3 ARG 54 2HG ARG 54 2.646 13.574 -12.994 379 HD2 ARG 54 1HD ARG 54 1.628 13.538 -10.732 380 HD3 ARG 54 2HD ARG 54 2.988 12.566 -10.173 381 HE ARG 54 HE ARG 54 2.985 15.398 -10.744 382 HH11 ARG 54 1HH1 ARG 54 4.903 12.531 -10.281 383 HH12 ARG 54 2HH1 ARG 54 6.342 13.402 -9.865 384 HH21 ARG 54 1HH2 ARG 54 4.872 16.557 -10.198 385 HH22 ARG 54 2HH2 ARG 54 6.323 15.692 -9.817 386 H ASN 55 H ASN 55 -0.606 12.272 -13.914 387 HA ASN 55 HA ASN 55 -0.313 14.197 -16.052 388 HB2 ASN 55 1HB ASN 55 -2.621 13.446 -14.256 389 HB3 ASN 55 2HB ASN 55 -2.721 14.739 -15.447 390 HD21 ASN 55 1HD2 ASN 55 -4.259 13.757 -16.694 391 HD22 ASN 55 2HD2 ASN 55 -3.951 12.339 -17.632 392 H THR 56 H THR 56 -0.097 16.361 -15.863 393 HA THR 56 HA THR 56 1.075 17.545 -13.689 394 HB THR 56 HB THR 56 1.095 18.680 -15.801 395 HG1 THR 56 1HG THR 56 0.472 20.774 -15.086 396 HG21 THR 56 3HG2 THR 56 -0.700 18.837 -17.112 397 HG22 THR 56 1HG2 THR 56 -1.544 19.795 -15.897 398 HG23 THR 56 2HG2 THR 56 -1.649 18.035 -15.861 399 H ASP 57 H ASP 57 -2.250 16.768 -14.119 400 HA ASP 57 HA ASP 57 -3.249 18.608 -12.145 401 HB2 ASP 57 1HB ASP 57 -4.942 18.112 -13.613 402 HB3 ASP 57 2HB ASP 57 -4.399 16.453 -13.846 403 H GLY 58 H GLY 58 -2.678 15.097 -12.278 404 HA2 GLY 58 1HA GLY 58 -1.588 14.635 -9.871 405 HA3 GLY 58 2HA GLY 58 -3.285 14.824 -9.453 406 H LYS 59 H LYS 59 -4.476 13.602 -11.651 407 HA LYS 59 HA LYS 59 -4.646 10.972 -10.925 408 HB2 LYS 59 1HB LYS 59 -5.140 12.360 -13.539 409 HB3 LYS 59 2HB LYS 59 -5.337 10.617 -13.414 410 HG2 LYS 59 1HG LYS 59 -6.747 12.590 -11.634 411 HG3 LYS 59 2HG LYS 59 -7.433 11.935 -13.123 412 HD2 LYS 59 1HD LYS 59 -7.234 9.670 -12.212 413 HD3 LYS 59 2HD LYS 59 -6.551 10.328 -10.724 414 HE2 LYS 59 1HE LYS 59 -9.304 10.915 -11.811 415 HE3 LYS 59 2HE LYS 59 -8.937 9.810 -10.487 416 HZ1 LYS 59 3HZ LYS 59 -9.228 12.640 -10.439 417 HZ2 LYS 59 1HZ LYS 59 -7.732 12.176 -9.798 418 HZ3 LYS 59 2HZ LYS 59 -9.162 11.548 -9.150 419 H GLY 60 H GLY 60 -3.958 8.997 -12.066 420 HA2 GLY 60 1HA GLY 60 -1.173 9.274 -13.011 421 HA3 GLY 60 2HA GLY 60 -1.777 7.891 -12.109 422 H ASN 61 H ASN 61 -0.489 8.203 -14.818 423 HA ASN 61 HA ASN 61 -2.610 7.194 -16.559 424 HB2 ASN 61 1HB ASN 61 -0.911 8.981 -17.275 425 HB3 ASN 61 2HB ASN 61 0.259 7.667 -17.352 426 HD21 ASN 61 1HD2 ASN 61 0.586 7.187 -19.397 427 HD22 ASN 61 2HD2 ASN 61 -0.637 6.973 -20.599 428 H CYS 62 H CYS 62 -2.766 5.123 -17.197 429 HA CYS 62 HA CYS 62 -1.132 3.156 -15.872 430 HB2 CYS 62 1HB CYS 62 -3.576 2.856 -16.191 431 HB3 CYS 62 2HB CYS 62 -3.314 2.765 -17.930 432 HA PRO 63 HA PRO 63 1.850 2.835 -19.137 433 HB2 PRO 63 1HB PRO 63 3.114 0.624 -18.196 434 HB3 PRO 63 2HB PRO 63 3.340 2.230 -17.495 435 HG2 PRO 63 1HG PRO 63 1.598 -0.017 -16.559 436 HG3 PRO 63 2HG PRO 63 2.640 1.061 -15.611 437 HD2 PRO 63 1HD PRO 63 -0.039 1.411 -15.790 438 HD3 PRO 63 2HD PRO 63 1.091 2.768 -15.617 439 H VAL 64 H VAL 64 -0.858 1.078 -18.813 440 HA VAL 64 HA VAL 64 -0.118 -0.780 -20.980 441 HB VAL 64 HB VAL 64 -2.184 -1.208 -18.818 442 HG11 VAL 64 1HG1 VAL 64 -2.396 -2.125 -21.339 443 HG12 VAL 64 2HG1 VAL 64 -1.417 -3.408 -20.626 444 HG13 VAL 64 3HG1 VAL 64 -2.986 -3.003 -19.928 445 HG21 VAL 64 3HG2 VAL 64 -0.256 -1.751 -17.728 446 HG22 VAL 64 1HG2 VAL 64 -0.552 -3.283 -18.550 447 HG23 VAL 64 2HG2 VAL 64 0.609 -2.135 -19.216 448 H CYS 65 H CYS 65 -2.824 1.028 -19.542 449 HA CYS 65 HA CYS 65 -4.024 1.203 -22.227 450 HB2 CYS 65 1HB CYS 65 -6.181 1.574 -21.069 451 HB3 CYS 65 2HB CYS 65 -5.466 0.015 -20.673 452 H ARG 66 H ARG 66 -2.524 2.942 -19.747 453 HA ARG 66 HA ARG 66 -2.108 5.151 -19.403 454 HB2 ARG 66 1HB ARG 66 -3.029 5.307 -22.276 455 HB3 ARG 66 2HB ARG 66 -2.321 6.656 -21.398 456 HG2 ARG 66 1HG ARG 66 -0.460 5.882 -22.434 457 HG3 ARG 66 2HG ARG 66 -0.395 4.890 -20.976 458 HD2 ARG 66 1HD ARG 66 -0.055 3.355 -22.693 459 HD3 ARG 66 2HD ARG 66 -1.772 3.189 -22.325 460 HE ARG 66 HE ARG 66 -1.804 4.991 -24.306 461 HH11 ARG 66 1HH1 ARG 66 -0.177 1.930 -23.981 462 HH12 ARG 66 2HH1 ARG 66 -0.207 1.586 -25.679 463 HH21 ARG 66 1HH2 ARG 66 -1.850 4.549 -26.543 464 HH22 ARG 66 2HH2 ARG 66 -1.158 3.077 -27.135 465 H VAL 67 H VAL 67 -4.393 4.384 -18.252 466 HA VAL 67 HA VAL 67 -6.375 6.454 -18.927 467 HB VAL 67 HB VAL 67 -7.037 3.969 -18.860 468 HG11 VAL 67 1HG1 VAL 67 -5.893 3.404 -16.781 469 HG12 VAL 67 2HG1 VAL 67 -6.923 4.533 -15.898 470 HG13 VAL 67 3HG1 VAL 67 -7.624 3.100 -16.652 471 HG21 VAL 67 3HG2 VAL 67 -8.574 5.972 -17.208 472 HG22 VAL 67 1HG2 VAL 67 -8.642 5.804 -18.963 473 HG23 VAL 67 2HG2 VAL 67 -9.235 4.504 -17.928 474 HA PRO 68 HA PRO 68 -5.243 8.593 -15.230 475 HB2 PRO 68 1HB PRO 68 -7.413 10.217 -15.072 476 HB3 PRO 68 2HB PRO 68 -6.110 10.465 -16.241 477 HG2 PRO 68 1HG PRO 68 -8.784 9.176 -16.629 478 HG3 PRO 68 2HG PRO 68 -7.927 10.315 -17.684 479 HD2 PRO 68 1HD PRO 68 -7.963 7.647 -18.145 480 HD3 PRO 68 2HD PRO 68 -6.578 8.672 -18.574 481 H TYR 69 H TYR 69 -5.334 7.259 -13.486 482 HA TYR 69 HA TYR 69 -7.994 6.672 -12.364 483 HB2 TYR 69 1HB TYR 69 -6.938 4.749 -11.236 484 HB3 TYR 69 2HB TYR 69 -6.788 4.646 -12.987 485 HD1 TYR 69 1HD TYR 69 -4.955 5.404 -9.868 486 HD2 TYR 69 2HD TYR 69 -4.657 4.608 -14.037 487 HE1 TYR 69 1HE TYR 69 -2.521 5.139 -9.637 488 HE2 TYR 69 2HE TYR 69 -2.222 4.340 -13.817 489 HH TYR 69 HH TYR 69 -0.470 4.478 -12.458 490 HA PRO 70 HA PRO 70 -6.998 9.201 -8.902 491 HB2 PRO 70 1HB PRO 70 -8.686 8.112 -7.076 492 HB3 PRO 70 2HB PRO 70 -9.240 9.139 -8.404 493 HG2 PRO 70 1HG PRO 70 -9.243 6.153 -8.191 494 HG3 PRO 70 2HG PRO 70 -10.506 7.231 -8.811 495 HD2 PRO 70 1HD PRO 70 -8.824 5.870 -10.439 496 HD3 PRO 70 2HD PRO 70 -9.474 7.467 -10.859 497 H PHE 71 H PHE 71 -5.019 8.905 -8.045 498 HA PHE 71 HA PHE 71 -3.900 6.509 -7.187 499 HB2 PHE 71 1HB PHE 71 -2.846 8.882 -7.586 500 HB3 PHE 71 2HB PHE 71 -3.135 9.082 -5.861 501 HD1 PHE 71 1HD PHE 71 -1.728 6.505 -8.168 502 HD2 PHE 71 2HD PHE 71 -1.389 8.585 -4.470 503 HE1 PHE 71 1HE PHE 71 0.361 5.298 -7.684 504 HE2 PHE 71 2HE PHE 71 0.701 7.382 -3.980 505 HZ PHE 71 HZ PHE 71 1.579 5.736 -5.589 506 H GLY 72 H GLY 72 -3.447 5.699 -5.070 507 HA2 GLY 72 1HA GLY 72 -3.839 5.385 -2.797 508 HA3 GLY 72 2HA GLY 72 -4.919 6.770 -2.818 509 H ASN 73 H ASN 73 -6.482 5.723 -5.069 510 HA ASN 73 HA ASN 73 -8.262 4.058 -3.518 511 HB2 ASN 73 1HB ASN 73 -8.429 5.385 -6.212 512 HB3 ASN 73 2HB ASN 73 -9.628 4.192 -5.719 513 HD21 ASN 73 1HD2 ASN 73 -11.286 5.687 -5.704 514 HD22 ASN 73 2HD2 ASN 73 -11.425 6.907 -4.488 515 H LEU 74 H LEU 74 -5.856 2.754 -4.003 516 HA LEU 74 HA LEU 74 -6.596 0.721 -6.002 517 HB2 LEU 74 1HB LEU 74 -3.876 1.372 -4.876 518 HB3 LEU 74 2HB LEU 74 -4.223 0.129 -6.075 519 HG LEU 74 HG LEU 74 -4.958 2.945 -6.704 520 HD11 LEU 74 1HD1 LEU 74 -2.880 3.672 -6.355 521 HD12 LEU 74 2HD1 LEU 74 -2.426 2.685 -7.743 522 HD13 LEU 74 3HD1 LEU 74 -2.257 2.040 -6.111 523 HD21 LEU 74 3HD2 LEU 74 -3.643 1.564 -8.794 524 HD22 LEU 74 1HD2 LEU 74 -5.349 1.997 -8.669 525 HD23 LEU 74 2HD2 LEU 74 -4.787 0.443 -8.053 526 H LYS 75 H LYS 75 -7.008 -1.292 -5.340 527 HA LYS 75 HA LYS 75 -6.983 -1.874 -2.515 528 HB2 LYS 75 1HB LYS 75 -7.891 -3.416 -4.942 529 HB3 LYS 75 2HB LYS 75 -7.919 -4.105 -3.324 530 HG2 LYS 75 1HG LYS 75 -9.266 -1.495 -3.878 531 HG3 LYS 75 2HG LYS 75 -10.058 -3.021 -4.278 532 HD2 LYS 75 1HD LYS 75 -10.108 -3.710 -2.035 533 HD3 LYS 75 2HD LYS 75 -8.908 -2.509 -1.551 534 HE2 LYS 75 1HE LYS 75 -10.843 -1.539 -0.776 535 HE3 LYS 75 2HE LYS 75 -10.715 -0.808 -2.375 536 HZ1 LYS 75 3HZ LYS 75 -12.764 -1.561 -2.711 537 HZ2 LYS 75 1HZ LYS 75 -12.732 -2.539 -1.331 538 HZ3 LYS 75 2HZ LYS 75 -12.109 -3.118 -2.793 539 HA PRO 76 HA PRO 76 -3.145 -4.008 -2.306 540 HB2 PRO 76 1HB PRO 76 -3.675 -5.731 -0.276 541 HB3 PRO 76 2HB PRO 76 -3.424 -4.000 -0.025 542 HG2 PRO 76 1HG PRO 76 -5.987 -5.536 -0.202 543 HG3 PRO 76 2HG PRO 76 -5.531 -4.246 0.927 544 HD2 PRO 76 1HD PRO 76 -7.097 -3.803 -1.238 545 HD3 PRO 76 2HD PRO 76 -5.979 -2.580 -0.602 546 H ASN 77 H ASN 77 -5.883 -5.347 -3.555 547 HA ASN 77 HA ASN 77 -6.395 -7.267 -4.669 548 HB2 ASN 77 1HB ASN 77 -4.124 -6.385 -5.718 549 HB3 ASN 77 2HB ASN 77 -3.496 -7.882 -5.035 550 HD21 ASN 77 1HD2 ASN 77 -3.122 -8.921 -6.931 551 HD22 ASN 77 2HD2 ASN 77 -4.372 -9.410 -8.019 552 H LEU 78 H LEU 78 -6.351 -7.593 -1.925 553 HA LEU 78 HA LEU 78 -5.104 -10.230 -1.545 554 HB2 LEU 78 1HB LEU 78 -6.052 -8.194 0.464 555 HB3 LEU 78 2HB LEU 78 -5.465 -9.802 0.882 556 HG LEU 78 HG LEU 78 -3.800 -7.731 -0.541 557 HD11 LEU 78 1HD1 LEU 78 -4.680 -7.551 2.059 558 HD12 LEU 78 2HD1 LEU 78 -3.240 -6.779 1.395 559 HD13 LEU 78 3HD1 LEU 78 -3.107 -8.333 2.219 560 HD21 LEU 78 3HD2 LEU 78 -2.548 -9.851 1.049 561 HD22 LEU 78 1HD2 LEU 78 -2.136 -9.234 -0.551 562 HD23 LEU 78 2HD2 LEU 78 -3.428 -10.421 -0.370 563 H HIS 79 H HIS 79 -8.097 -8.408 -0.984 564 HA HIS 79 HA HIS 79 -9.527 -10.971 -0.743 565 HB2 HIS 79 1HB HIS 79 -10.509 -8.266 0.176 566 HB3 HIS 79 2HB HIS 79 -11.212 -9.839 0.539 567 HD2 HIS 79 2HD HIS 79 -9.196 -7.347 2.336 568 HE1 HIS 79 1HE HIS 79 -7.838 -11.065 3.864 569 HE2 HIS 79 2HE HIS 79 -7.943 -8.576 4.236 570 H VAL 80 H VAL 80 -9.002 -8.311 -2.744 571 HA VAL 80 HA VAL 80 -10.291 -7.306 -4.411 572 HB VAL 80 HB VAL 80 -10.476 -8.786 -6.290 573 HG11 VAL 80 1HG1 VAL 80 -8.244 -9.810 -6.311 574 HG12 VAL 80 2HG1 VAL 80 -8.213 -8.177 -5.644 575 HG13 VAL 80 3HG1 VAL 80 -8.127 -9.572 -4.568 576 HG21 VAL 80 3HG2 VAL 80 -9.772 -11.285 -4.986 577 HG22 VAL 80 1HG2 VAL 80 -11.332 -10.660 -4.451 578 HG23 VAL 80 2HG2 VAL 80 -11.037 -10.943 -6.166 579 H ALA 81 H ALA 81 -12.007 -7.471 -2.322 580 HA ALA 81 HA ALA 81 -14.182 -7.895 -1.656 581 HB1 ALA 81 3HB ALA 81 -15.709 -6.664 -2.972 582 HB2 ALA 81 1HB ALA 81 -14.145 -5.873 -3.174 583 HB3 ALA 81 2HB ALA 81 -14.771 -6.928 -4.442 584 H ASN 82 H ASN 82 -13.275 -10.325 -2.212 585 HA ASN 82 HA ASN 82 -14.338 -11.801 -4.285 586 HB2 ASN 82 1HB ASN 82 -13.589 -12.474 -1.464 587 HB3 ASN 82 2HB ASN 82 -14.379 -13.692 -2.460 588 HD21 ASN 82 1HD2 ASN 82 -11.477 -12.584 -1.474 589 HD22 ASN 82 2HD2 ASN 82 -10.486 -13.137 -2.776 590 H ILE 83 H ILE 83 -15.792 -11.264 -1.077 591 HA ILE 83 HA ILE 83 -18.379 -12.110 -2.198 592 HB ILE 83 HB ILE 83 -17.520 -11.995 0.696 593 HG12 ILE 83 1HG1 ILE 83 -16.445 -13.818 -0.547 594 HG13 ILE 83 2HG1 ILE 83 -17.626 -14.447 0.597 595 HG21 ILE 83 1HG2 ILE 83 -20.128 -12.378 -0.624 596 HG22 ILE 83 2HG2 ILE 83 -19.754 -13.491 0.691 597 HG23 ILE 83 3HG2 ILE 83 -19.746 -11.751 0.979 598 HD11 ILE 83 3HD1 ILE 83 -18.952 -14.032 -1.865 599 HD12 ILE 83 1HD1 ILE 83 -17.446 -14.888 -2.194 600 HD13 ILE 83 2HD1 ILE 83 -18.605 -15.552 -1.042 601 H VAL 84 H VAL 84 -20.007 -10.694 -2.334 602 HA VAL 84 HA VAL 84 -19.584 -8.012 -1.202 603 HB VAL 84 HB VAL 84 -21.224 -7.223 -2.862 604 HG11 VAL 84 1HG1 VAL 84 -19.620 -6.951 -4.409 605 HG12 VAL 84 2HG1 VAL 84 -18.607 -7.843 -3.272 606 HG13 VAL 84 3HG1 VAL 84 -19.383 -8.687 -4.613 607 HG21 VAL 84 3HG2 VAL 84 -21.948 -9.902 -3.013 608 HG22 VAL 84 1HG2 VAL 84 -22.545 -8.587 -4.026 609 HG23 VAL 84 2HG2 VAL 84 -21.178 -9.563 -4.563 610 H GLU 85 H GLU 85 -21.610 -10.793 -1.094 611 HA GLU 85 HA GLU 85 -23.926 -9.518 -0.011 612 HB2 GLU 85 1HB GLU 85 -23.014 -12.378 -0.198 613 HB3 GLU 85 2HB GLU 85 -24.471 -11.940 0.683 614 HG2 GLU 85 1HG GLU 85 -25.278 -10.829 -1.424 615 HG3 GLU 85 2HG GLU 85 -23.911 -11.580 -2.246 Start of MODEL 17 1 H1 GLY 1 H GLY 1 44.606 -23.260 -23.376 2 HA2 GLY 1 1HA GLY 1 44.445 -20.589 -22.213 3 HA3 GLY 1 2HA GLY 1 43.700 -20.803 -23.790 4 H SER 2 H SER 2 41.682 -20.235 -22.818 5 HA SER 2 HA SER 2 40.365 -22.551 -21.620 6 HB2 SER 2 1HB SER 2 41.170 -20.803 -19.855 7 HB3 SER 2 2HB SER 2 39.815 -19.841 -20.446 8 HG SER 2 HG SER 2 39.453 -21.366 -18.608 9 H SER 3 H SER 3 37.916 -22.068 -21.438 10 HA SER 3 HA SER 3 36.782 -20.140 -23.193 11 HB2 SER 3 1HB SER 3 35.943 -21.659 -24.927 12 HB3 SER 3 2HB SER 3 37.706 -21.670 -24.894 13 HG SER 3 HG SER 3 37.695 -23.684 -24.216 14 H GLY 4 H GLY 4 34.378 -20.715 -23.614 15 HA2 GLY 4 1HA GLY 4 33.302 -21.620 -21.047 16 HA3 GLY 4 2HA GLY 4 32.439 -20.688 -22.261 17 H SER 5 H SER 5 30.686 -22.184 -21.998 18 HA SER 5 HA SER 5 30.847 -24.367 -23.868 19 HB2 SER 5 1HB SER 5 31.685 -25.310 -21.657 20 HB3 SER 5 2HB SER 5 30.054 -25.054 -21.035 21 HG SER 5 HG SER 5 30.303 -26.417 -23.451 22 H SER 6 H SER 6 28.644 -25.583 -23.857 23 HA SER 6 HA SER 6 26.455 -23.744 -23.196 24 HB2 SER 6 1HB SER 6 27.339 -23.754 -25.704 25 HB3 SER 6 2HB SER 6 26.318 -25.189 -25.804 26 HG SER 6 HG SER 6 24.571 -23.920 -25.098 27 H GLY 7 H GLY 7 24.325 -24.779 -23.215 28 HA2 GLY 7 1HA GLY 7 24.474 -27.703 -22.842 29 HA3 GLY 7 2HA GLY 7 23.673 -26.682 -21.657 30 H MET 8 H MET 8 22.187 -28.645 -22.634 31 HA MET 8 HA MET 8 20.277 -27.228 -24.343 32 HB2 MET 8 1HB MET 8 19.862 -29.278 -25.649 33 HB3 MET 8 2HB MET 8 21.506 -28.687 -25.850 34 HG2 MET 8 1HG MET 8 20.855 -30.816 -23.850 35 HG3 MET 8 2HG MET 8 21.135 -31.201 -25.546 36 HE1 MET 8 3HE MET 8 22.805 -32.339 -25.916 37 HE2 MET 8 1HE MET 8 24.184 -31.356 -26.410 38 HE3 MET 8 2HE MET 8 24.331 -32.454 -25.038 39 H ALA 9 H ALA 9 18.182 -27.503 -23.773 40 HA ALA 9 HA ALA 9 17.401 -29.709 -22.050 41 HB1 ALA 9 3HB ALA 9 18.190 -28.058 -20.447 42 HB2 ALA 9 1HB ALA 9 17.122 -26.843 -21.151 43 HB3 ALA 9 2HB ALA 9 16.440 -28.249 -20.332 44 H SER 10 H SER 10 15.579 -30.469 -22.879 45 HA SER 10 HA SER 10 14.075 -29.292 -24.875 46 HB2 SER 10 1HB SER 10 14.036 -31.721 -24.087 47 HB3 SER 10 2HB SER 10 12.902 -31.193 -22.843 48 HG SER 10 HG SER 10 12.461 -31.693 -25.463 49 H SER 11 H SER 11 11.946 -28.384 -24.887 50 HA SER 11 HA SER 11 11.076 -27.169 -22.362 51 HB2 SER 11 1HB SER 11 11.444 -25.673 -24.968 52 HB3 SER 11 2HB SER 11 10.696 -25.010 -23.515 53 HG SER 11 HG SER 11 12.621 -25.005 -22.507 54 H VAL 12 H VAL 12 9.037 -27.716 -22.021 55 HA VAL 12 HA VAL 12 7.362 -28.620 -24.205 56 HB VAL 12 HB VAL 12 5.725 -29.182 -22.466 57 HG11 VAL 12 1HG1 VAL 12 7.423 -30.819 -23.002 58 HG12 VAL 12 2HG1 VAL 12 8.540 -30.079 -21.854 59 HG13 VAL 12 3HG1 VAL 12 7.074 -30.871 -21.275 60 HG21 VAL 12 3HG2 VAL 12 6.689 -28.955 -20.045 61 HG22 VAL 12 1HG2 VAL 12 7.614 -27.631 -20.754 62 HG23 VAL 12 2HG2 VAL 12 5.851 -27.598 -20.798 63 H LEU 13 H LEU 13 5.159 -27.831 -24.485 64 HA LEU 13 HA LEU 13 5.000 -24.928 -24.028 65 HB2 LEU 13 1HB LEU 13 5.016 -25.303 -26.337 66 HB3 LEU 13 2HB LEU 13 3.954 -26.704 -26.205 67 HG LEU 13 HG LEU 13 2.126 -25.085 -25.528 68 HD11 LEU 13 1HD1 LEU 13 2.404 -22.842 -25.608 69 HD12 LEU 13 2HD1 LEU 13 3.613 -22.924 -26.889 70 HD13 LEU 13 3HD1 LEU 13 4.070 -23.277 -25.223 71 HD21 LEU 13 3HD2 LEU 13 3.379 -25.096 -28.258 72 HD22 LEU 13 1HD2 LEU 13 1.856 -24.269 -27.929 73 HD23 LEU 13 2HD2 LEU 13 1.986 -26.011 -27.679 74 H GLU 14 H GLU 14 3.082 -24.000 -23.300 75 HA GLU 14 HA GLU 14 0.709 -25.482 -22.820 76 HB2 GLU 14 1HB GLU 14 0.745 -25.693 -20.450 77 HB3 GLU 14 2HB GLU 14 2.244 -26.396 -21.042 78 HG2 GLU 14 1HG GLU 14 2.167 -23.545 -20.157 79 HG3 GLU 14 2HG GLU 14 2.286 -24.847 -18.975 80 H MET 15 H MET 15 -0.805 -24.187 -21.325 81 HA MET 15 HA MET 15 -0.940 -21.535 -22.336 82 HB2 MET 15 1HB MET 15 -2.928 -21.314 -20.909 83 HB3 MET 15 2HB MET 15 -2.959 -22.808 -21.834 84 HG2 MET 15 1HG MET 15 -1.923 -23.857 -19.707 85 HG3 MET 15 2HG MET 15 -2.527 -22.407 -18.909 86 HE1 MET 15 3HE MET 15 -3.287 -24.837 -17.743 87 HE2 MET 15 1HE MET 15 -4.910 -25.465 -18.033 88 HE3 MET 15 2HE MET 15 -3.566 -26.000 -19.041 89 H ILE 16 H ILE 16 0.719 -20.238 -21.702 90 HA ILE 16 HA ILE 16 1.555 -20.120 -18.938 91 HB ILE 16 HB ILE 16 2.394 -18.240 -21.136 92 HG12 ILE 16 1HG1 ILE 16 4.022 -20.641 -20.441 93 HG13 ILE 16 2HG1 ILE 16 2.629 -20.865 -21.494 94 HG21 ILE 16 1HG2 ILE 16 4.524 -18.792 -19.445 95 HG22 ILE 16 2HG2 ILE 16 3.539 -17.330 -19.459 96 HG23 ILE 16 3HG2 ILE 16 3.132 -18.656 -18.371 97 HD11 ILE 16 3HD1 ILE 16 3.746 -18.797 -22.736 98 HD12 ILE 16 1HD1 ILE 16 5.191 -19.488 -21.999 99 HD13 ILE 16 2HD1 ILE 16 4.194 -20.470 -23.072 100 H LYS 17 H LYS 17 1.343 -18.358 -17.554 101 HA LYS 17 HA LYS 17 -1.078 -16.853 -17.868 102 HB2 LYS 17 1HB LYS 17 1.001 -17.137 -15.741 103 HB3 LYS 17 2HB LYS 17 -0.086 -15.756 -15.679 104 HG2 LYS 17 1HG LYS 17 -1.130 -17.341 -14.346 105 HG3 LYS 17 2HG LYS 17 -1.972 -17.480 -15.891 106 HD2 LYS 17 1HD LYS 17 -0.631 -19.415 -16.479 107 HD3 LYS 17 2HD LYS 17 0.301 -19.250 -14.988 108 HE2 LYS 17 1HE LYS 17 -1.232 -20.905 -14.454 109 HE3 LYS 17 2HE LYS 17 -1.993 -19.450 -13.813 110 HZ1 LYS 17 3HZ LYS 17 -3.549 -19.419 -15.497 111 HZ2 LYS 17 1HZ LYS 17 -3.385 -21.079 -15.213 112 HZ3 LYS 17 2HZ LYS 17 -2.617 -20.368 -16.542 113 H GLU 18 H GLU 18 0.295 -16.092 -19.988 114 HA GLU 18 HA GLU 18 1.898 -13.748 -19.459 115 HB2 GLU 18 1HB GLU 18 1.077 -15.278 -21.879 116 HB3 GLU 18 2HB GLU 18 1.538 -13.596 -22.093 117 HG2 GLU 18 1HG GLU 18 3.193 -15.895 -21.141 118 HG3 GLU 18 2HG GLU 18 3.507 -14.763 -22.455 119 H GLU 19 H GLU 19 -0.631 -13.493 -18.335 120 HA GLU 19 HA GLU 19 -1.703 -11.264 -19.920 121 HB2 GLU 19 1HB GLU 19 -3.403 -13.276 -18.438 122 HB3 GLU 19 2HB GLU 19 -3.984 -11.894 -19.356 123 HG2 GLU 19 1HG GLU 19 -2.862 -12.951 -21.371 124 HG3 GLU 19 2HG GLU 19 -2.702 -14.402 -20.384 125 H VAL 20 H VAL 20 -1.935 -12.866 -16.742 126 HA VAL 20 HA VAL 20 -2.660 -10.483 -15.365 127 HB VAL 20 HB VAL 20 -2.243 -11.766 -13.307 128 HG11 VAL 20 1HG1 VAL 20 -3.639 -13.880 -14.625 129 HG12 VAL 20 2HG1 VAL 20 -4.281 -12.598 -13.596 130 HG13 VAL 20 3HG1 VAL 20 -4.121 -12.339 -15.333 131 HG21 VAL 20 3HG2 VAL 20 -1.719 -14.290 -13.800 132 HG22 VAL 20 1HG2 VAL 20 -0.930 -13.626 -15.231 133 HG23 VAL 20 2HG2 VAL 20 -0.412 -13.119 -13.624 134 H THR 21 H THR 21 0.382 -12.258 -15.755 135 HA THR 21 HA THR 21 2.114 -11.136 -14.070 136 HB THR 21 HB THR 21 2.856 -11.120 -16.985 137 HG1 THR 21 1HG THR 21 2.269 -13.331 -15.313 138 HG21 THR 21 3HG2 THR 21 4.765 -10.584 -15.865 139 HG22 THR 21 1HG2 THR 21 4.871 -12.338 -15.721 140 HG23 THR 21 2HG2 THR 21 4.248 -11.379 -14.378 141 H CYS 22 H CYS 22 3.261 -9.247 -13.778 142 HA CYS 22 HA CYS 22 2.037 -6.828 -14.238 143 HB2 CYS 22 1HB CYS 22 4.028 -7.420 -12.697 144 HB3 CYS 22 2HB CYS 22 5.034 -7.041 -14.091 145 HA PRO 23 HA PRO 23 2.681 -6.331 -18.622 146 HB2 PRO 23 1HB PRO 23 1.420 -3.933 -18.807 147 HB3 PRO 23 2HB PRO 23 0.552 -5.468 -18.682 148 HG2 PRO 23 1HG PRO 23 1.165 -3.460 -16.549 149 HG3 PRO 23 2HG PRO 23 -0.340 -4.348 -16.850 150 HD2 PRO 23 1HD PRO 23 1.423 -5.078 -14.929 151 HD3 PRO 23 2HD PRO 23 0.430 -6.256 -15.812 152 H ILE 24 H ILE 24 4.215 -4.839 -16.124 153 HA ILE 24 HA ILE 24 5.574 -2.877 -17.843 154 HB ILE 24 HB ILE 24 5.525 -3.103 -14.832 155 HG12 ILE 24 1HG1 ILE 24 4.482 -0.842 -16.528 156 HG13 ILE 24 2HG1 ILE 24 3.475 -2.224 -16.108 157 HG21 ILE 24 1HG2 ILE 24 6.961 -1.272 -14.688 158 HG22 ILE 24 2HG2 ILE 24 7.677 -2.267 -15.955 159 HG23 ILE 24 3HG2 ILE 24 6.733 -0.841 -16.383 160 HD11 ILE 24 3HD1 ILE 24 3.673 0.057 -14.660 161 HD12 ILE 24 1HD1 ILE 24 3.157 -1.503 -14.019 162 HD13 ILE 24 2HD1 ILE 24 4.833 -0.984 -13.834 163 H CYS 25 H CYS 25 6.517 -4.897 -15.057 164 HA CYS 25 HA CYS 25 9.181 -5.201 -16.141 165 HB2 CYS 25 1HB CYS 25 9.543 -6.564 -14.046 166 HB3 CYS 25 2HB CYS 25 9.058 -4.893 -13.777 167 H LEU 26 H LEU 26 6.234 -7.009 -16.009 168 HA LEU 26 HA LEU 26 5.604 -8.981 -16.953 169 HB2 LEU 26 1HB LEU 26 8.314 -8.967 -18.269 170 HB3 LEU 26 2HB LEU 26 6.900 -9.894 -18.765 171 HG LEU 26 HG LEU 26 7.022 -6.883 -18.813 172 HD11 LEU 26 1HD1 LEU 26 7.040 -8.201 -21.388 173 HD12 LEU 26 2HD1 LEU 26 8.470 -8.600 -20.437 174 HD13 LEU 26 3HD1 LEU 26 8.076 -6.914 -20.769 175 HD21 LEU 26 3HD2 LEU 26 5.218 -8.389 -20.578 176 HD22 LEU 26 1HD2 LEU 26 4.934 -6.920 -19.644 177 HD23 LEU 26 2HD2 LEU 26 4.847 -8.496 -18.856 178 H GLU 27 H GLU 27 6.412 -9.208 -14.420 179 HA GLU 27 HA GLU 27 7.537 -11.883 -14.364 180 HB2 GLU 27 1HB GLU 27 9.379 -11.460 -13.029 181 HB3 GLU 27 2HB GLU 27 9.394 -10.071 -14.106 182 HG2 GLU 27 1HG GLU 27 8.204 -8.774 -12.356 183 HG3 GLU 27 2HG GLU 27 8.377 -10.157 -11.276 184 H LEU 28 H LEU 28 7.325 -12.892 -12.212 185 HA LEU 28 HA LEU 28 4.872 -12.992 -11.184 186 HB2 LEU 28 1HB LEU 28 7.535 -13.320 -9.908 187 HB3 LEU 28 2HB LEU 28 6.115 -13.319 -8.864 188 HG LEU 28 HG LEU 28 6.853 -15.586 -9.467 189 HD11 LEU 28 1HD1 LEU 28 4.670 -15.809 -8.979 190 HD12 LEU 28 2HD1 LEU 28 4.511 -16.099 -10.711 191 HD13 LEU 28 3HD1 LEU 28 4.185 -14.496 -10.052 192 HD21 LEU 28 3HD2 LEU 28 6.455 -16.360 -11.798 193 HD22 LEU 28 1HD2 LEU 28 7.785 -15.212 -11.643 194 HD23 LEU 28 2HD2 LEU 28 6.227 -14.676 -12.272 195 H LEU 29 H LEU 29 3.466 -11.650 -10.280 196 HA LEU 29 HA LEU 29 4.233 -8.989 -9.540 197 HB2 LEU 29 1HB LEU 29 1.629 -10.489 -9.434 198 HB3 LEU 29 2HB LEU 29 1.794 -8.827 -8.871 199 HG LEU 29 HG LEU 29 2.639 -9.476 -11.653 200 HD11 LEU 29 1HD1 LEU 29 0.322 -9.081 -12.425 201 HD12 LEU 29 2HD1 LEU 29 -0.222 -9.188 -10.751 202 HD13 LEU 29 3HD1 LEU 29 0.511 -10.590 -11.531 203 HD21 LEU 29 3HD2 LEU 29 3.037 -7.251 -10.861 204 HD22 LEU 29 1HD2 LEU 29 1.378 -7.107 -10.281 205 HD23 LEU 29 2HD2 LEU 29 1.702 -7.195 -12.013 206 H LYS 30 H LYS 30 4.804 -8.265 -7.601 207 HA LYS 30 HA LYS 30 4.416 -10.034 -5.284 208 HB2 LYS 30 1HB LYS 30 6.367 -7.750 -5.634 209 HB3 LYS 30 2HB LYS 30 6.272 -8.822 -4.243 210 HG2 LYS 30 1HG LYS 30 6.718 -10.715 -5.906 211 HG3 LYS 30 2HG LYS 30 7.201 -9.438 -7.025 212 HD2 LYS 30 1HD LYS 30 8.693 -8.638 -5.048 213 HD3 LYS 30 2HD LYS 30 8.469 -10.283 -4.449 214 HE2 LYS 30 1HE LYS 30 9.537 -9.548 -7.172 215 HE3 LYS 30 2HE LYS 30 10.520 -10.033 -5.792 216 HZ1 LYS 30 3HZ LYS 30 9.858 -11.784 -7.540 217 HZ2 LYS 30 1HZ LYS 30 8.359 -11.788 -6.755 218 HZ3 LYS 30 2HZ LYS 30 9.762 -12.193 -5.901 219 H GLU 31 H GLU 31 2.721 -9.504 -4.077 220 HA GLU 31 HA GLU 31 1.057 -8.274 -3.102 221 HB2 GLU 31 1HB GLU 31 3.625 -6.926 -2.437 222 HB3 GLU 31 2HB GLU 31 2.138 -6.090 -2.014 223 HG2 GLU 31 1HG GLU 31 1.436 -7.861 -0.608 224 HG3 GLU 31 2HG GLU 31 2.709 -8.925 -1.204 225 HA PRO 32 HA PRO 32 0.968 -5.243 -6.736 226 HB2 PRO 32 1HB PRO 32 -0.916 -6.539 -8.200 227 HB3 PRO 32 2HB PRO 32 0.816 -6.846 -8.375 228 HG2 PRO 32 1HG PRO 32 -1.238 -8.400 -6.850 229 HG3 PRO 32 2HG PRO 32 0.071 -8.994 -7.888 230 HD2 PRO 32 1HD PRO 32 0.251 -8.969 -5.186 231 HD3 PRO 32 2HD PRO 32 1.662 -8.742 -6.239 232 H VAL 33 H VAL 33 -0.837 -3.888 -7.321 233 HA VAL 33 HA VAL 33 -3.188 -4.158 -5.571 234 HB VAL 33 HB VAL 33 -3.179 -1.631 -5.389 235 HG11 VAL 33 1HG1 VAL 33 -1.993 -1.690 -3.408 236 HG12 VAL 33 2HG1 VAL 33 -2.337 -3.401 -3.675 237 HG13 VAL 33 3HG1 VAL 33 -0.745 -2.749 -4.064 238 HG21 VAL 33 3HG2 VAL 33 -0.264 -1.873 -6.090 239 HG22 VAL 33 1HG2 VAL 33 -1.488 -1.386 -7.262 240 HG23 VAL 33 2HG2 VAL 33 -1.206 -0.406 -5.823 241 H SER 34 H SER 34 -5.004 -4.183 -6.706 242 HA SER 34 HA SER 34 -5.055 -3.605 -9.494 243 HB2 SER 34 1HB SER 34 -6.537 -5.227 -8.001 244 HB3 SER 34 2HB SER 34 -7.590 -3.814 -7.929 245 HG SER 34 HG SER 34 -7.844 -5.412 -9.742 246 H ALA 35 H ALA 35 -6.824 -2.166 -10.419 247 HA ALA 35 HA ALA 35 -7.222 0.274 -8.846 248 HB1 ALA 35 3HB ALA 35 -5.164 0.255 -10.517 249 HB2 ALA 35 1HB ALA 35 -6.430 0.642 -11.683 250 HB3 ALA 35 2HB ALA 35 -6.167 1.688 -10.287 251 H ASP 36 H ASP 36 -8.483 1.876 -10.539 252 HA ASP 36 HA ASP 36 -11.067 0.896 -10.705 253 HB2 ASP 36 1HB ASP 36 -10.211 3.325 -10.859 254 HB3 ASP 36 2HB ASP 36 -10.048 3.013 -12.585 255 H CYS 37 H CYS 37 -8.510 0.885 -13.130 256 HA CYS 37 HA CYS 37 -10.254 -0.304 -15.124 257 HB2 CYS 37 1HB CYS 37 -8.132 -0.324 -16.505 258 HB3 CYS 37 2HB CYS 37 -8.689 1.266 -15.993 259 H ASN 38 H ASN 38 -9.948 -1.835 -12.767 260 HA ASN 38 HA ASN 38 -9.169 -3.851 -11.949 261 HB2 ASN 38 1HB ASN 38 -9.830 -4.723 -14.765 262 HB3 ASN 38 2HB ASN 38 -9.956 -5.675 -13.288 263 HD21 ASN 38 1HD2 ASN 38 -11.511 -4.896 -11.667 264 HD22 ASN 38 2HD2 ASN 38 -12.981 -4.180 -12.225 265 H HIS 39 H HIS 39 -7.000 -2.288 -12.883 266 HA HIS 39 HA HIS 39 -5.235 -4.366 -14.003 267 HB2 HIS 39 1HB HIS 39 -5.155 -1.364 -14.307 268 HB3 HIS 39 2HB HIS 39 -3.790 -2.399 -14.719 269 HD2 HIS 39 2HD HIS 39 -6.287 -4.593 -16.004 270 HE1 HIS 39 1HE HIS 39 -6.136 -1.601 -19.008 271 HE2 HIS 39 2HE HIS 39 -6.965 -3.901 -18.402 272 H SER 40 H SER 40 -3.841 -5.171 -12.594 273 HA SER 40 HA SER 40 -3.068 -3.532 -10.276 274 HB2 SER 40 1HB SER 40 -2.393 -5.797 -9.297 275 HB3 SER 40 2HB SER 40 -4.121 -5.510 -9.500 276 HG SER 40 HG SER 40 -2.487 -6.902 -11.357 277 H PHE 41 H PHE 41 -0.885 -3.557 -9.565 278 HA PHE 41 HA PHE 41 1.119 -4.681 -11.349 279 HB2 PHE 41 1HB PHE 41 1.399 -1.777 -10.664 280 HB3 PHE 41 2HB PHE 41 2.133 -2.686 -11.981 281 HD1 PHE 41 1HD PHE 41 -1.048 -1.229 -10.782 282 HD2 PHE 41 2HD PHE 41 1.125 -2.780 -14.097 283 HE1 PHE 41 1HE PHE 41 -2.809 -0.432 -12.304 284 HE2 PHE 41 2HE PHE 41 -0.631 -1.984 -15.625 285 HZ PHE 41 HZ PHE 41 -2.601 -0.808 -14.729 286 H CYS 42 H CYS 42 3.285 -4.603 -10.452 287 HA CYS 42 HA CYS 42 3.507 -5.453 -7.868 288 HB2 CYS 42 1HB CYS 42 5.625 -3.860 -9.325 289 HB3 CYS 42 2HB CYS 42 5.888 -5.008 -8.017 290 H ARG 43 H ARG 43 3.363 -4.564 -5.916 291 HA ARG 43 HA ARG 43 2.368 -2.199 -5.222 292 HB2 ARG 43 1HB ARG 43 3.018 -3.940 -3.602 293 HB3 ARG 43 2HB ARG 43 4.704 -3.477 -3.790 294 HG2 ARG 43 1HG ARG 43 3.936 -2.487 -1.787 295 HG3 ARG 43 2HG ARG 43 4.061 -1.190 -2.978 296 HD2 ARG 43 1HD ARG 43 2.006 -0.757 -2.026 297 HD3 ARG 43 2HD ARG 43 1.556 -1.729 -3.426 298 HE ARG 43 HE ARG 43 0.822 -3.370 -2.008 299 HH11 ARG 43 1HH1 ARG 43 2.809 -1.128 -0.233 300 HH12 ARG 43 2HH1 ARG 43 2.439 -1.822 1.311 301 HH21 ARG 43 1HH2 ARG 43 0.327 -4.291 0.019 302 HH22 ARG 43 2HH2 ARG 43 1.028 -3.621 1.453 303 H ALA 44 H ALA 44 5.728 -2.716 -6.147 304 HA ALA 44 HA ALA 44 6.475 0.024 -5.639 305 HB1 ALA 44 3HB ALA 44 7.865 -2.352 -5.880 306 HB2 ALA 44 1HB ALA 44 8.294 -1.462 -7.342 307 HB3 ALA 44 2HB ALA 44 8.565 -0.738 -5.756 308 H CYS 45 H CYS 45 6.274 -1.995 -8.577 309 HA CYS 45 HA CYS 45 6.804 -0.186 -10.521 310 HB2 CYS 45 1HB CYS 45 4.746 -2.383 -10.444 311 HB3 CYS 45 2HB CYS 45 5.010 -1.422 -11.895 312 H ILE 46 H ILE 46 3.570 -0.705 -9.113 313 HA ILE 46 HA ILE 46 2.193 1.250 -10.504 314 HB ILE 46 HB ILE 46 1.026 -0.332 -9.097 315 HG12 ILE 46 1HG1 ILE 46 -0.337 1.403 -7.690 316 HG13 ILE 46 2HG1 ILE 46 0.687 2.587 -8.495 317 HG21 ILE 46 1HG2 ILE 46 2.968 0.195 -7.237 318 HG22 ILE 46 2HG2 ILE 46 1.547 0.971 -6.541 319 HG23 ILE 46 3HG2 ILE 46 1.503 -0.743 -6.952 320 HD11 ILE 46 3HD1 ILE 46 -0.414 2.393 -10.425 321 HD12 ILE 46 1HD1 ILE 46 -0.522 0.638 -10.302 322 HD13 ILE 46 2HD1 ILE 46 -1.680 1.655 -9.444 323 H THR 47 H THR 47 4.311 1.563 -7.730 324 HA THR 47 HA THR 47 3.622 4.304 -7.209 325 HB THR 47 HB THR 47 5.965 2.657 -6.237 326 HG1 THR 47 1HG THR 47 3.530 2.331 -5.628 327 HG21 THR 47 3HG2 THR 47 6.108 4.422 -4.468 328 HG22 THR 47 1HG2 THR 47 4.974 5.386 -5.414 329 HG23 THR 47 2HG2 THR 47 6.555 4.976 -6.082 330 H LEU 48 H LEU 48 6.466 2.662 -8.591 331 HA LEU 48 HA LEU 48 7.950 4.943 -9.198 332 HB2 LEU 48 1HB LEU 48 9.082 2.908 -9.324 333 HB3 LEU 48 2HB LEU 48 7.853 2.184 -10.359 334 HG LEU 48 HG LEU 48 8.623 3.735 -12.183 335 HD11 LEU 48 1HD1 LEU 48 9.721 5.432 -10.908 336 HD12 LEU 48 2HD1 LEU 48 10.930 4.633 -11.912 337 HD13 LEU 48 3HD1 LEU 48 10.824 4.255 -10.193 338 HD21 LEU 48 3HD2 LEU 48 9.539 1.790 -12.769 339 HD22 LEU 48 1HD2 LEU 48 9.933 1.385 -11.098 340 HD23 LEU 48 2HD2 LEU 48 11.033 2.387 -12.045 341 H ASN 49 H ASN 49 5.669 3.130 -11.239 342 HA ASN 49 HA ASN 49 5.876 4.522 -13.590 343 HB2 ASN 49 1HB ASN 49 4.456 2.573 -13.413 344 HB3 ASN 49 2HB ASN 49 3.388 3.403 -12.286 345 HD21 ASN 49 1HD2 ASN 49 4.654 3.574 -15.579 346 HD22 ASN 49 2HD2 ASN 49 3.234 4.267 -16.277 347 H TYR 50 H TYR 50 3.520 5.256 -11.011 348 HA TYR 50 HA TYR 50 2.388 7.525 -11.993 349 HB2 TYR 50 1HB TYR 50 1.644 6.589 -9.903 350 HB3 TYR 50 2HB TYR 50 3.193 6.935 -9.140 351 HD1 TYR 50 2HD TYR 50 0.173 8.524 -10.591 352 HD2 TYR 50 1HD TYR 50 3.598 9.019 -8.116 353 HE1 TYR 50 2HE TYR 50 -0.690 10.703 -9.843 354 HE2 TYR 50 1HE TYR 50 2.745 11.198 -7.360 355 HH TYR 50 HH TYR 50 1.215 12.935 -8.105 356 H GLU 51 H GLU 51 5.281 7.500 -9.903 357 HA GLU 51 HA GLU 51 5.896 10.165 -9.915 358 HB2 GLU 51 1HB GLU 51 7.852 7.868 -10.097 359 HB3 GLU 51 2HB GLU 51 8.252 9.504 -9.594 360 HG2 GLU 51 1HG GLU 51 6.910 9.308 -7.633 361 HG3 GLU 51 2HG GLU 51 6.253 7.765 -8.174 362 H SER 52 H SER 52 6.772 7.766 -12.375 363 HA SER 52 HA SER 52 8.262 9.539 -14.000 364 HB2 SER 52 1HB SER 52 8.286 6.988 -14.059 365 HB3 SER 52 2HB SER 52 6.792 7.095 -14.991 366 HG SER 52 HG SER 52 8.363 7.069 -16.497 367 H ASN 53 H ASN 53 4.918 8.343 -14.261 368 HA ASN 53 HA ASN 53 4.322 10.676 -15.960 369 HB2 ASN 53 1HB ASN 53 2.430 9.087 -16.835 370 HB3 ASN 53 2HB ASN 53 4.064 8.937 -17.474 371 HD21 ASN 53 1HD2 ASN 53 5.333 7.181 -16.866 372 HD22 ASN 53 2HD2 ASN 53 4.649 5.763 -16.155 373 H ARG 54 H ARG 54 3.348 12.047 -14.583 374 HA ARG 54 HA ARG 54 0.928 11.087 -13.226 375 HB2 ARG 54 1HB ARG 54 1.449 12.298 -11.219 376 HB3 ARG 54 2HB ARG 54 2.814 11.256 -11.598 377 HG2 ARG 54 1HG ARG 54 4.075 13.112 -12.442 378 HG3 ARG 54 2HG ARG 54 2.682 14.183 -12.281 379 HD2 ARG 54 1HD ARG 54 2.722 13.884 -9.860 380 HD3 ARG 54 2HD ARG 54 4.091 12.784 -10.011 381 HE ARG 54 HE ARG 54 5.047 14.988 -11.177 382 HH11 ARG 54 1HH1 ARG 54 3.343 14.532 -8.176 383 HH12 ARG 54 2HH1 ARG 54 4.108 15.870 -7.387 384 HH21 ARG 54 1HH2 ARG 54 6.062 16.753 -10.149 385 HH22 ARG 54 2HH2 ARG 54 5.654 17.134 -8.511 386 H ASN 55 H ASN 55 -0.475 12.948 -12.512 387 HA ASN 55 HA ASN 55 -0.519 14.948 -14.654 388 HB2 ASN 55 1HB ASN 55 -2.546 13.611 -14.415 389 HB3 ASN 55 2HB ASN 55 -2.680 14.080 -12.722 390 HD21 ASN 55 1HD2 ASN 55 -4.539 15.186 -12.732 391 HD22 ASN 55 2HD2 ASN 55 -4.838 16.602 -13.677 392 H THR 56 H THR 56 -0.765 17.151 -14.230 393 HA THR 56 HA THR 56 0.699 18.228 -12.144 394 HB THR 56 HB THR 56 0.185 19.511 -14.153 395 HG1 THR 56 1HG THR 56 0.304 21.310 -13.028 396 HG21 THR 56 3HG2 THR 56 -2.579 20.055 -13.144 397 HG22 THR 56 1HG2 THR 56 -2.271 18.626 -14.131 398 HG23 THR 56 2HG2 THR 56 -1.927 20.233 -14.773 399 H ASP 57 H ASP 57 -2.802 17.745 -12.382 400 HA ASP 57 HA ASP 57 -3.400 18.969 -9.882 401 HB2 ASP 57 1HB ASP 57 -5.062 16.938 -11.384 402 HB3 ASP 57 2HB ASP 57 -5.630 18.091 -10.180 403 H GLY 58 H GLY 58 -2.888 15.623 -10.923 404 HA2 GLY 58 1HA GLY 58 -1.642 14.548 -8.836 405 HA3 GLY 58 2HA GLY 58 -3.277 14.655 -8.201 406 H LYS 59 H LYS 59 -4.627 14.093 -10.658 407 HA LYS 59 HA LYS 59 -5.063 11.427 -10.557 408 HB2 LYS 59 1HB LYS 59 -5.153 13.303 -12.907 409 HB3 LYS 59 2HB LYS 59 -5.616 11.614 -13.071 410 HG2 LYS 59 1HG LYS 59 -6.867 13.109 -10.854 411 HG3 LYS 59 2HG LYS 59 -7.348 13.564 -12.491 412 HD2 LYS 59 1HD LYS 59 -8.863 11.902 -12.119 413 HD3 LYS 59 2HD LYS 59 -7.537 10.928 -12.756 414 HE2 LYS 59 1HE LYS 59 -8.540 9.971 -10.712 415 HE3 LYS 59 2HE LYS 59 -6.829 10.353 -10.523 416 HZ1 LYS 59 3HZ LYS 59 -7.289 11.746 -8.878 417 HZ2 LYS 59 1HZ LYS 59 -8.879 11.169 -8.894 418 HZ3 LYS 59 2HZ LYS 59 -8.474 12.552 -9.778 419 H GLY 60 H GLY 60 -4.248 9.555 -11.454 420 HA2 GLY 60 1HA GLY 60 -1.523 9.797 -12.561 421 HA3 GLY 60 2HA GLY 60 -2.106 8.424 -11.632 422 H ASN 61 H ASN 61 -0.886 8.557 -14.319 423 HA ASN 61 HA ASN 61 -3.103 7.633 -16.000 424 HB2 ASN 61 1HB ASN 61 -0.257 8.024 -16.909 425 HB3 ASN 61 2HB ASN 61 -1.726 8.018 -17.881 426 HD21 ASN 61 1HD2 ASN 61 -2.969 9.850 -18.013 427 HD22 ASN 61 2HD2 ASN 61 -2.442 11.386 -17.423 428 H CYS 62 H CYS 62 -3.220 5.582 -16.803 429 HA CYS 62 HA CYS 62 -1.602 3.584 -15.457 430 HB2 CYS 62 1HB CYS 62 -4.085 3.357 -15.690 431 HB3 CYS 62 2HB CYS 62 -3.860 3.177 -17.427 432 HA PRO 63 HA PRO 63 1.213 3.203 -18.861 433 HB2 PRO 63 1HB PRO 63 2.484 0.975 -17.974 434 HB3 PRO 63 2HB PRO 63 2.770 2.580 -17.291 435 HG2 PRO 63 1HG PRO 63 1.039 0.364 -16.262 436 HG3 PRO 63 2HG PRO 63 2.143 1.428 -15.371 437 HD2 PRO 63 1HD PRO 63 -0.536 1.821 -15.421 438 HD3 PRO 63 2HD PRO 63 0.624 3.160 -15.308 439 H VAL 64 H VAL 64 -1.519 1.539 -18.446 440 HA VAL 64 HA VAL 64 -0.901 -0.378 -20.600 441 HB VAL 64 HB VAL 64 -2.930 -0.693 -18.384 442 HG11 VAL 64 1HG1 VAL 64 -3.236 -1.640 -20.885 443 HG12 VAL 64 2HG1 VAL 64 -2.292 -2.949 -20.172 444 HG13 VAL 64 3HG1 VAL 64 -3.827 -2.471 -19.447 445 HG21 VAL 64 3HG2 VAL 64 -0.415 -2.258 -18.960 446 HG22 VAL 64 1HG2 VAL 64 -0.598 -1.053 -17.685 447 HG23 VAL 64 2HG2 VAL 64 -1.546 -2.540 -17.636 448 H CYS 65 H CYS 65 -3.744 1.169 -19.092 449 HA CYS 65 HA CYS 65 -4.887 1.510 -21.775 450 HB2 CYS 65 1HB CYS 65 -7.037 1.858 -20.589 451 HB3 CYS 65 2HB CYS 65 -6.316 0.290 -20.239 452 H ARG 66 H ARG 66 -3.258 3.213 -19.411 453 HA ARG 66 HA ARG 66 -2.856 5.419 -19.025 454 HB2 ARG 66 1HB ARG 66 -3.895 5.564 -21.855 455 HB3 ARG 66 2HB ARG 66 -3.246 6.957 -21.000 456 HG2 ARG 66 1HG ARG 66 -1.403 6.256 -22.156 457 HG3 ARG 66 2HG ARG 66 -1.182 5.395 -20.631 458 HD2 ARG 66 1HD ARG 66 -1.756 3.359 -21.542 459 HD3 ARG 66 2HD ARG 66 -2.709 4.088 -22.833 460 HE ARG 66 HE ARG 66 -0.796 4.297 -24.103 461 HH11 ARG 66 1HH1 ARG 66 0.022 3.357 -20.853 462 HH12 ARG 66 2HH1 ARG 66 1.672 2.990 -21.235 463 HH21 ARG 66 1HH2 ARG 66 1.373 3.817 -24.619 464 HH22 ARG 66 2HH2 ARG 66 2.440 3.254 -23.377 465 H VAL 67 H VAL 67 -5.236 4.459 -17.959 466 HA VAL 67 HA VAL 67 -7.228 6.548 -18.451 467 HB VAL 67 HB VAL 67 -7.748 4.001 -18.247 468 HG11 VAL 67 1HG1 VAL 67 -8.321 3.306 -15.965 469 HG12 VAL 67 2HG1 VAL 67 -6.596 3.641 -16.133 470 HG13 VAL 67 3HG1 VAL 67 -7.650 4.814 -15.343 471 HG21 VAL 67 3HG2 VAL 67 -9.384 6.043 -16.744 472 HG22 VAL 67 1HG2 VAL 67 -9.417 5.781 -18.488 473 HG23 VAL 67 2HG2 VAL 67 -9.971 4.512 -17.395 474 HA PRO 68 HA PRO 68 -5.896 8.792 -14.878 475 HB2 PRO 68 1HB PRO 68 -8.048 10.434 -14.679 476 HB3 PRO 68 2HB PRO 68 -6.793 10.640 -15.906 477 HG2 PRO 68 1HG PRO 68 -9.488 9.359 -16.149 478 HG3 PRO 68 2HG PRO 68 -8.668 10.462 -17.270 479 HD2 PRO 68 1HD PRO 68 -8.738 7.782 -17.653 480 HD3 PRO 68 2HD PRO 68 -7.365 8.785 -18.166 481 H TYR 69 H TYR 69 -5.922 7.529 -13.084 482 HA TYR 69 HA TYR 69 -8.537 7.043 -11.814 483 HB2 TYR 69 1HB TYR 69 -7.494 5.071 -10.733 484 HB3 TYR 69 2HB TYR 69 -7.518 4.944 -12.489 485 HD1 TYR 69 1HD TYR 69 -5.363 5.567 -9.558 486 HD2 TYR 69 2HD TYR 69 -5.494 4.820 -13.745 487 HE1 TYR 69 1HE TYR 69 -2.938 5.158 -9.555 488 HE2 TYR 69 2HE TYR 69 -3.070 4.408 -13.753 489 HH TYR 69 HH TYR 69 -1.335 3.586 -11.735 490 HA PRO 70 HA PRO 70 -7.203 9.447 -8.385 491 HB2 PRO 70 1HB PRO 70 -8.674 8.304 -6.410 492 HB3 PRO 70 2HB PRO 70 -9.378 9.349 -7.650 493 HG2 PRO 70 1HG PRO 70 -9.328 6.359 -7.497 494 HG3 PRO 70 2HG PRO 70 -10.662 7.434 -7.957 495 HD2 PRO 70 1HD PRO 70 -9.151 6.123 -9.782 496 HD3 PRO 70 2HD PRO 70 -9.859 7.720 -10.098 497 H PHE 71 H PHE 71 -5.069 9.017 -7.979 498 HA PHE 71 HA PHE 71 -3.923 6.633 -7.180 499 HB2 PHE 71 1HB PHE 71 -2.604 8.569 -7.883 500 HB3 PHE 71 2HB PHE 71 -3.080 9.440 -6.429 501 HD1 PHE 71 1HD PHE 71 -1.547 6.161 -7.346 502 HD2 PHE 71 2HD PHE 71 -1.551 9.517 -4.728 503 HE1 PHE 71 1HE PHE 71 0.400 5.235 -6.161 504 HE2 PHE 71 2HE PHE 71 0.397 8.597 -3.540 505 HZ PHE 71 HZ PHE 71 1.375 6.453 -4.256 506 H GLY 72 H GLY 72 -3.831 5.492 -5.340 507 HA2 GLY 72 1HA GLY 72 -3.649 5.452 -2.912 508 HA3 GLY 72 2HA GLY 72 -4.793 6.785 -2.866 509 H ASN 73 H ASN 73 -6.592 5.673 -4.829 510 HA ASN 73 HA ASN 73 -8.081 3.944 -3.073 511 HB2 ASN 73 1HB ASN 73 -8.635 5.133 -5.787 512 HB3 ASN 73 2HB ASN 73 -9.734 3.982 -5.032 513 HD21 ASN 73 1HD2 ASN 73 -11.434 5.162 -4.471 514 HD22 ASN 73 2HD2 ASN 73 -11.384 6.591 -3.500 515 H LEU 74 H LEU 74 -5.728 2.693 -3.751 516 HA LEU 74 HA LEU 74 -6.473 0.693 -5.766 517 HB2 LEU 74 1HB LEU 74 -3.800 1.120 -4.444 518 HB3 LEU 74 2HB LEU 74 -4.147 0.065 -5.812 519 HG LEU 74 HG LEU 74 -4.696 2.973 -6.115 520 HD11 LEU 74 1HD1 LEU 74 -2.447 2.747 -5.010 521 HD12 LEU 74 2HD1 LEU 74 -2.442 3.523 -6.593 522 HD13 LEU 74 3HD1 LEU 74 -1.925 1.845 -6.433 523 HD21 LEU 74 3HD2 LEU 74 -3.748 2.390 -8.400 524 HD22 LEU 74 1HD2 LEU 74 -5.288 1.649 -7.965 525 HD23 LEU 74 2HD2 LEU 74 -3.799 0.707 -7.874 526 H LYS 75 H LYS 75 -6.916 -1.357 -5.226 527 HA LYS 75 HA LYS 75 -6.799 -2.064 -2.383 528 HB2 LYS 75 1HB LYS 75 -8.383 -3.871 -2.992 529 HB3 LYS 75 2HB LYS 75 -8.994 -2.268 -3.379 530 HG2 LYS 75 1HG LYS 75 -8.669 -2.575 -5.678 531 HG3 LYS 75 2HG LYS 75 -7.618 -3.971 -5.429 532 HD2 LYS 75 1HD LYS 75 -9.577 -5.005 -6.044 533 HD3 LYS 75 2HD LYS 75 -9.751 -4.983 -4.288 534 HE2 LYS 75 1HE LYS 75 -11.821 -4.247 -5.121 535 HE3 LYS 75 2HE LYS 75 -10.990 -2.784 -4.595 536 HZ1 LYS 75 3HZ LYS 75 -11.639 -3.683 -7.302 537 HZ2 LYS 75 1HZ LYS 75 -10.210 -2.803 -7.090 538 HZ3 LYS 75 2HZ LYS 75 -11.693 -2.128 -6.638 539 HA PRO 76 HA PRO 76 -3.591 -5.013 -2.926 540 HB2 PRO 76 1HB PRO 76 -4.288 -6.879 -1.082 541 HB3 PRO 76 2HB PRO 76 -3.634 -5.296 -0.646 542 HG2 PRO 76 1HG PRO 76 -6.479 -6.225 -0.684 543 HG3 PRO 76 2HG PRO 76 -5.638 -5.245 0.531 544 HD2 PRO 76 1HD PRO 76 -7.272 -4.162 -1.337 545 HD3 PRO 76 2HD PRO 76 -5.851 -3.308 -0.700 546 H ASN 77 H ASN 77 -3.519 -6.165 -4.760 547 HA ASN 77 HA ASN 77 -5.669 -8.010 -5.427 548 HB2 ASN 77 1HB ASN 77 -4.929 -6.638 -7.245 549 HB3 ASN 77 2HB ASN 77 -3.243 -7.052 -6.950 550 HD21 ASN 77 1HD2 ASN 77 -5.258 -7.400 -9.232 551 HD22 ASN 77 2HD2 ASN 77 -5.034 -9.045 -9.713 552 H LEU 78 H LEU 78 -5.497 -9.827 -4.218 553 HA LEU 78 HA LEU 78 -2.979 -11.338 -4.453 554 HB2 LEU 78 1HB LEU 78 -4.687 -10.787 -2.085 555 HB3 LEU 78 2HB LEU 78 -3.915 -12.366 -2.199 556 HG LEU 78 HG LEU 78 -1.729 -11.046 -2.509 557 HD11 LEU 78 1HD1 LEU 78 -3.605 -8.902 -1.574 558 HD12 LEU 78 2HD1 LEU 78 -2.444 -8.858 -2.900 559 HD13 LEU 78 3HD1 LEU 78 -1.876 -8.837 -1.230 560 HD21 LEU 78 3HD2 LEU 78 -2.012 -10.469 0.144 561 HD22 LEU 78 1HD2 LEU 78 -1.604 -12.054 -0.514 562 HD23 LEU 78 2HD2 LEU 78 -3.277 -11.672 -0.108 563 H HIS 79 H HIS 79 -6.329 -11.912 -3.363 564 HA HIS 79 HA HIS 79 -6.342 -14.355 -5.006 565 HB2 HIS 79 1HB HIS 79 -6.685 -14.416 -2.427 566 HB3 HIS 79 2HB HIS 79 -8.301 -13.821 -2.793 567 HD2 HIS 79 2HD HIS 79 -7.969 -16.820 -1.546 568 HE1 HIS 79 1HE HIS 79 -8.871 -18.123 -5.481 569 HE2 HIS 79 2HE HIS 79 -8.828 -18.747 -3.041 570 H VAL 80 H VAL 80 -6.823 -11.912 -6.252 571 HA VAL 80 HA VAL 80 -9.532 -11.180 -6.414 572 HB VAL 80 HB VAL 80 -8.910 -10.215 -8.651 573 HG11 VAL 80 1HG1 VAL 80 -7.592 -9.592 -6.073 574 HG12 VAL 80 2HG1 VAL 80 -6.977 -8.775 -7.511 575 HG13 VAL 80 3HG1 VAL 80 -8.675 -8.612 -7.061 576 HG21 VAL 80 3HG2 VAL 80 -7.238 -11.761 -9.379 577 HG22 VAL 80 1HG2 VAL 80 -6.464 -10.189 -9.173 578 HG23 VAL 80 2HG2 VAL 80 -6.248 -11.446 -7.954 579 H ALA 81 H ALA 81 -11.106 -12.574 -6.896 580 HA ALA 81 HA ALA 81 -10.732 -14.328 -9.236 581 HB1 ALA 81 3HB ALA 81 -10.825 -15.845 -7.488 582 HB2 ALA 81 1HB ALA 81 -12.001 -14.889 -6.585 583 HB3 ALA 81 2HB ALA 81 -12.503 -15.777 -8.024 584 H ASN 82 H ASN 82 -12.673 -14.822 -10.448 585 HA ASN 82 HA ASN 82 -14.103 -12.704 -11.341 586 HB2 ASN 82 1HB ASN 82 -14.076 -15.097 -12.238 587 HB3 ASN 82 2HB ASN 82 -15.378 -15.426 -11.099 588 HD21 ASN 82 1HD2 ASN 82 -17.212 -15.521 -12.165 589 HD22 ASN 82 2HD2 ASN 82 -17.737 -14.420 -13.389 590 H ILE 83 H ILE 83 -15.144 -14.911 -8.754 591 HA ILE 83 HA ILE 83 -17.418 -13.201 -8.149 592 HB ILE 83 HB ILE 83 -17.858 -14.920 -6.350 593 HG12 ILE 83 1HG1 ILE 83 -15.986 -16.749 -7.783 594 HG13 ILE 83 2HG1 ILE 83 -15.312 -15.648 -6.586 595 HG21 ILE 83 1HG2 ILE 83 -18.618 -14.869 -8.891 596 HG22 ILE 83 2HG2 ILE 83 -17.710 -16.379 -8.927 597 HG23 ILE 83 3HG2 ILE 83 -19.059 -16.189 -7.808 598 HD11 ILE 83 3HD1 ILE 83 -17.240 -16.609 -5.092 599 HD12 ILE 83 1HD1 ILE 83 -17.142 -17.957 -6.225 600 HD13 ILE 83 2HD1 ILE 83 -15.720 -17.480 -5.296 601 H VAL 84 H VAL 84 -16.024 -11.376 -7.546 602 HA VAL 84 HA VAL 84 -14.372 -11.547 -5.215 603 HB VAL 84 HB VAL 84 -14.310 -9.072 -5.340 604 HG11 VAL 84 1HG1 VAL 84 -12.769 -9.118 -6.988 605 HG12 VAL 84 2HG1 VAL 84 -13.074 -10.855 -6.937 606 HG13 VAL 84 3HG1 VAL 84 -13.874 -9.854 -8.148 607 HG21 VAL 84 3HG2 VAL 84 -15.413 -7.915 -7.173 608 HG22 VAL 84 1HG2 VAL 84 -16.141 -9.429 -7.711 609 HG23 VAL 84 2HG2 VAL 84 -16.602 -8.732 -6.158 610 H GLU 85 H GLU 85 -14.867 -11.193 -3.129 611 HA GLU 85 HA GLU 85 -17.675 -10.873 -2.443 612 HB2 GLU 85 1HB GLU 85 -15.215 -11.676 -0.924 613 HB3 GLU 85 2HB GLU 85 -16.673 -11.201 -0.064 614 HG2 GLU 85 1HG GLU 85 -16.632 -13.360 -2.151 615 HG3 GLU 85 2HG GLU 85 -16.362 -13.665 -0.436 Start of MODEL 18 1 H1 GLY 1 H GLY 1 22.442 6.740 -20.824 2 HA2 GLY 1 1HA GLY 1 22.910 5.843 -18.185 3 HA3 GLY 1 2HA GLY 1 21.273 5.414 -18.662 4 H SER 2 H SER 2 22.608 3.299 -18.113 5 HA SER 2 HA SER 2 22.848 1.888 -20.563 6 HB2 SER 2 1HB SER 2 25.251 1.233 -20.303 7 HB3 SER 2 2HB SER 2 25.022 2.932 -20.718 8 HG SER 2 HG SER 2 25.016 2.976 -18.166 9 H SER 3 H SER 3 23.007 -0.366 -20.269 10 HA SER 3 HA SER 3 23.481 -1.564 -17.736 11 HB2 SER 3 1HB SER 3 21.093 -0.439 -17.646 12 HB3 SER 3 2HB SER 3 20.619 -1.876 -18.552 13 HG SER 3 HG SER 3 21.809 -1.746 -15.985 14 H GLY 4 H GLY 4 22.550 -3.943 -17.804 15 HA2 GLY 4 1HA GLY 4 22.298 -5.062 -20.449 16 HA3 GLY 4 2HA GLY 4 23.855 -5.385 -19.700 17 H SER 5 H SER 5 22.345 -7.505 -20.373 18 HA SER 5 HA SER 5 21.954 -8.799 -17.857 19 HB2 SER 5 1HB SER 5 19.632 -9.199 -17.896 20 HB3 SER 5 2HB SER 5 19.778 -7.487 -18.293 21 HG SER 5 HG SER 5 19.448 -9.612 -20.149 22 H SER 6 H SER 6 21.217 -11.097 -18.172 23 HA SER 6 HA SER 6 21.864 -12.109 -20.853 24 HB2 SER 6 1HB SER 6 23.149 -13.974 -19.737 25 HB3 SER 6 2HB SER 6 23.909 -12.386 -19.630 26 HG SER 6 HG SER 6 22.319 -13.586 -17.606 27 H GLY 7 H GLY 7 21.390 -14.579 -20.911 28 HA2 GLY 7 1HA GLY 7 19.205 -15.396 -19.179 29 HA3 GLY 7 2HA GLY 7 18.766 -15.113 -20.857 30 H MET 8 H MET 8 18.152 -17.470 -20.482 31 HA MET 8 HA MET 8 20.215 -19.094 -21.691 32 HB2 MET 8 1HB MET 8 19.250 -19.534 -18.892 33 HB3 MET 8 2HB MET 8 19.666 -20.923 -19.887 34 HG2 MET 8 1HG MET 8 21.906 -19.952 -20.243 35 HG3 MET 8 2HG MET 8 21.477 -18.635 -19.153 36 HE1 MET 8 3HE MET 8 23.964 -20.906 -19.002 37 HE2 MET 8 1HE MET 8 23.865 -19.444 -18.019 38 HE3 MET 8 2HE MET 8 24.067 -21.015 -17.244 39 H ALA 9 H ALA 9 19.387 -21.204 -22.399 40 HA ALA 9 HA ALA 9 16.464 -21.388 -22.507 41 HB1 ALA 9 3HB ALA 9 18.227 -20.773 -24.747 42 HB2 ALA 9 1HB ALA 9 17.171 -22.154 -25.044 43 HB3 ALA 9 2HB ALA 9 16.479 -20.595 -24.596 44 H SER 10 H SER 10 15.693 -23.505 -23.202 45 HA SER 10 HA SER 10 17.594 -25.685 -23.276 46 HB2 SER 10 1HB SER 10 15.676 -25.329 -20.968 47 HB3 SER 10 2HB SER 10 16.439 -26.870 -21.360 48 HG SER 10 HG SER 10 18.247 -24.850 -21.251 49 H SER 11 H SER 11 16.494 -27.796 -23.606 50 HA SER 11 HA SER 11 14.418 -27.500 -25.557 51 HB2 SER 11 1HB SER 11 16.325 -29.214 -25.579 52 HB3 SER 11 2HB SER 11 15.373 -30.117 -24.400 53 HG SER 11 HG SER 11 13.729 -30.299 -25.909 54 H VAL 12 H VAL 12 12.762 -26.564 -24.210 55 HA VAL 12 HA VAL 12 11.081 -28.613 -23.011 56 HB VAL 12 HB VAL 12 11.903 -26.143 -21.476 57 HG11 VAL 12 1HG1 VAL 12 9.684 -26.407 -20.889 58 HG12 VAL 12 2HG1 VAL 12 9.739 -28.163 -21.059 59 HG13 VAL 12 3HG1 VAL 12 10.503 -27.386 -19.672 60 HG21 VAL 12 3HG2 VAL 12 12.816 -27.733 -19.850 61 HG22 VAL 12 1HG2 VAL 12 12.376 -29.069 -20.914 62 HG23 VAL 12 2HG2 VAL 12 13.594 -27.899 -21.424 63 H LEU 13 H LEU 13 8.945 -28.236 -23.306 64 HA LEU 13 HA LEU 13 8.214 -25.681 -24.573 65 HB2 LEU 13 1HB LEU 13 7.126 -28.461 -24.907 66 HB3 LEU 13 2HB LEU 13 6.250 -27.035 -25.460 67 HG LEU 13 HG LEU 13 8.520 -26.573 -26.737 68 HD11 LEU 13 1HD1 LEU 13 9.221 -28.929 -27.602 69 HD12 LEU 13 2HD1 LEU 13 8.602 -29.474 -26.043 70 HD13 LEU 13 3HD1 LEU 13 9.911 -28.294 -26.108 71 HD21 LEU 13 3HD2 LEU 13 7.375 -27.112 -28.610 72 HD22 LEU 13 1HD2 LEU 13 6.043 -27.295 -27.468 73 HD23 LEU 13 2HD2 LEU 13 6.936 -28.714 -28.014 74 H GLU 14 H GLU 14 7.657 -24.529 -22.746 75 HA GLU 14 HA GLU 14 5.360 -25.579 -21.225 76 HB2 GLU 14 1HB GLU 14 7.620 -25.201 -20.021 77 HB3 GLU 14 2HB GLU 14 7.240 -23.490 -20.162 78 HG2 GLU 14 1HG GLU 14 5.353 -23.679 -18.787 79 HG3 GLU 14 2HG GLU 14 5.327 -25.436 -18.924 80 H MET 15 H MET 15 3.846 -23.953 -20.425 81 HA MET 15 HA MET 15 3.444 -21.861 -22.424 82 HB2 MET 15 1HB MET 15 1.681 -23.324 -20.516 83 HB3 MET 15 2HB MET 15 1.202 -21.706 -21.010 84 HG2 MET 15 1HG MET 15 0.121 -23.003 -22.557 85 HG3 MET 15 2HG MET 15 1.610 -22.602 -23.410 86 HE1 MET 15 3HE MET 15 -0.243 -26.246 -21.974 87 HE2 MET 15 1HE MET 15 -0.833 -24.770 -22.741 88 HE3 MET 15 2HE MET 15 -0.268 -26.114 -23.733 89 H ILE 16 H ILE 16 4.216 -19.909 -21.990 90 HA ILE 16 HA ILE 16 4.848 -19.088 -19.307 91 HB ILE 16 HB ILE 16 4.942 -17.482 -21.863 92 HG12 ILE 16 1HG1 ILE 16 7.501 -17.966 -21.394 93 HG13 ILE 16 2HG1 ILE 16 6.854 -19.374 -20.559 94 HG21 ILE 16 1HG2 ILE 16 6.839 -16.608 -19.964 95 HG22 ILE 16 2HG2 ILE 16 5.431 -15.742 -20.578 96 HG23 ILE 16 3HG2 ILE 16 5.290 -16.742 -19.132 97 HD11 ILE 16 3HD1 ILE 16 6.396 -20.424 -22.466 98 HD12 ILE 16 1HD1 ILE 16 5.712 -18.978 -23.207 99 HD13 ILE 16 2HD1 ILE 16 7.457 -19.232 -23.216 100 H LYS 17 H LYS 17 3.782 -17.679 -18.020 101 HA LYS 17 HA LYS 17 1.062 -16.989 -18.787 102 HB2 LYS 17 1HB LYS 17 2.563 -16.815 -16.174 103 HB3 LYS 17 2HB LYS 17 0.922 -16.215 -16.379 104 HG2 LYS 17 1HG LYS 17 1.736 -19.061 -16.917 105 HG3 LYS 17 2HG LYS 17 1.098 -18.492 -15.373 106 HD2 LYS 17 1HD LYS 17 -0.935 -17.708 -16.560 107 HD3 LYS 17 2HD LYS 17 -0.301 -18.420 -18.046 108 HE2 LYS 17 1HE LYS 17 -0.129 -20.586 -16.622 109 HE3 LYS 17 2HE LYS 17 -1.275 -19.770 -15.559 110 HZ1 LYS 17 3HZ LYS 17 -2.758 -20.737 -16.926 111 HZ2 LYS 17 1HZ LYS 17 -1.673 -20.871 -18.217 112 HZ3 LYS 17 2HZ LYS 17 -2.446 -19.398 -17.912 113 H GLU 18 H GLU 18 2.374 -15.508 -20.409 114 HA GLU 18 HA GLU 18 3.184 -12.981 -19.248 115 HB2 GLU 18 1HB GLU 18 3.773 -12.329 -21.488 116 HB3 GLU 18 2HB GLU 18 4.353 -13.966 -21.212 117 HG2 GLU 18 1HG GLU 18 1.684 -13.600 -22.465 118 HG3 GLU 18 2HG GLU 18 3.124 -13.297 -23.434 119 H GLU 19 H GLU 19 0.524 -13.607 -18.664 120 HA GLU 19 HA GLU 19 -0.888 -11.529 -20.200 121 HB2 GLU 19 1HB GLU 19 -2.042 -14.103 -19.113 122 HB3 GLU 19 2HB GLU 19 -2.983 -12.807 -19.839 123 HG2 GLU 19 1HG GLU 19 -1.915 -13.145 -21.961 124 HG3 GLU 19 2HG GLU 19 -0.813 -14.329 -21.261 125 H VAL 20 H VAL 20 -0.674 -13.271 -17.123 126 HA VAL 20 HA VAL 20 -2.123 -11.118 -15.777 127 HB VAL 20 HB VAL 20 -2.118 -12.564 -13.808 128 HG11 VAL 20 1HG1 VAL 20 -3.443 -14.462 -14.770 129 HG12 VAL 20 2HG1 VAL 20 -3.959 -12.857 -15.293 130 HG13 VAL 20 3HG1 VAL 20 -3.002 -13.873 -16.372 131 HG21 VAL 20 3HG2 VAL 20 -0.154 -13.769 -13.789 132 HG22 VAL 20 1HG2 VAL 20 -1.308 -14.998 -14.306 133 HG23 VAL 20 2HG2 VAL 20 -0.277 -14.201 -15.495 134 H THR 21 H THR 21 1.067 -12.493 -16.071 135 HA THR 21 HA THR 21 2.306 -11.428 -13.815 136 HB THR 21 HB THR 21 3.565 -11.766 -16.543 137 HG1 THR 21 1HG THR 21 2.454 -13.658 -15.549 138 HG21 THR 21 3HG2 THR 21 4.597 -11.150 -13.850 139 HG22 THR 21 1HG2 THR 21 5.277 -10.784 -15.435 140 HG23 THR 21 2HG2 THR 21 5.478 -12.392 -14.738 141 H CYS 22 H CYS 22 3.496 -9.540 -13.448 142 HA CYS 22 HA CYS 22 2.416 -7.139 -14.136 143 HB2 CYS 22 1HB CYS 22 4.182 -7.557 -12.391 144 HB3 CYS 22 2HB CYS 22 5.377 -7.544 -13.684 145 HA PRO 23 HA PRO 23 3.387 -6.920 -18.497 146 HB2 PRO 23 1HB PRO 23 2.032 -4.609 -18.937 147 HB3 PRO 23 2HB PRO 23 1.233 -6.179 -18.793 148 HG2 PRO 23 1HG PRO 23 1.555 -4.021 -16.743 149 HG3 PRO 23 2HG PRO 23 0.128 -5.005 -17.117 150 HD2 PRO 23 1HD PRO 23 1.745 -5.527 -15.010 151 HD3 PRO 23 2HD PRO 23 0.895 -6.806 -15.900 152 H ILE 24 H ILE 24 4.623 -5.212 -15.975 153 HA ILE 24 HA ILE 24 6.035 -3.285 -17.691 154 HB ILE 24 HB ILE 24 5.704 -3.325 -14.690 155 HG12 ILE 24 1HG1 ILE 24 4.724 -1.279 -16.683 156 HG13 ILE 24 2HG1 ILE 24 3.738 -2.630 -16.135 157 HG21 ILE 24 1HG2 ILE 24 6.720 -0.913 -15.137 158 HG22 ILE 24 2HG2 ILE 24 7.738 -2.317 -14.823 159 HG23 ILE 24 3HG2 ILE 24 7.483 -1.767 -16.479 160 HD11 ILE 24 3HD1 ILE 24 3.089 -1.415 -14.412 161 HD12 ILE 24 1HD1 ILE 24 4.754 -1.368 -13.832 162 HD13 ILE 24 2HD1 ILE 24 4.157 -0.102 -14.905 163 H CYS 25 H CYS 25 6.756 -5.188 -14.757 164 HA CYS 25 HA CYS 25 9.541 -5.381 -15.556 165 HB2 CYS 25 1HB CYS 25 9.915 -6.361 -13.370 166 HB3 CYS 25 2HB CYS 25 8.919 -4.920 -13.197 167 H LEU 26 H LEU 26 6.675 -7.326 -15.543 168 HA LEU 26 HA LEU 26 6.221 -9.359 -16.462 169 HB2 LEU 26 1HB LEU 26 9.079 -9.424 -17.398 170 HB3 LEU 26 2HB LEU 26 7.711 -10.323 -18.051 171 HG LEU 26 HG LEU 26 8.022 -7.327 -18.215 172 HD11 LEU 26 1HD1 LEU 26 8.391 -9.308 -20.444 173 HD12 LEU 26 2HD1 LEU 26 9.735 -8.689 -19.484 174 HD13 LEU 26 3HD1 LEU 26 8.752 -7.581 -20.441 175 HD21 LEU 26 3HD2 LEU 26 5.952 -9.275 -19.077 176 HD22 LEU 26 1HD2 LEU 26 6.301 -7.908 -20.135 177 HD23 LEU 26 2HD2 LEU 26 5.776 -7.626 -18.475 178 H GLU 27 H GLU 27 6.804 -9.299 -13.805 179 HA GLU 27 HA GLU 27 8.028 -11.929 -13.423 180 HB2 GLU 27 1HB GLU 27 8.778 -9.433 -11.898 181 HB3 GLU 27 2HB GLU 27 9.161 -11.057 -11.345 182 HG2 GLU 27 1HG GLU 27 10.618 -11.442 -13.150 183 HG3 GLU 27 2HG GLU 27 10.024 -10.034 -14.030 184 H LEU 28 H LEU 28 7.553 -12.806 -11.216 185 HA LEU 28 HA LEU 28 4.890 -13.025 -10.707 186 HB2 LEU 28 1HB LEU 28 7.322 -13.404 -9.052 187 HB3 LEU 28 2HB LEU 28 5.767 -13.403 -8.222 188 HG LEU 28 HG LEU 28 6.543 -15.669 -8.751 189 HD11 LEU 28 1HD1 LEU 28 4.337 -15.746 -10.553 190 HD12 LEU 28 2HD1 LEU 28 4.012 -14.548 -9.301 191 HD13 LEU 28 3HD1 LEU 28 4.398 -16.209 -8.852 192 HD21 LEU 28 3HD2 LEU 28 7.815 -15.290 -10.741 193 HD22 LEU 28 1HD2 LEU 28 6.394 -14.694 -11.598 194 HD23 LEU 28 2HD2 LEU 28 6.496 -16.393 -11.137 195 H LEU 29 H LEU 29 3.378 -11.619 -10.148 196 HA LEU 29 HA LEU 29 3.930 -9.000 -9.255 197 HB2 LEU 29 1HB LEU 29 1.379 -10.601 -9.256 198 HB3 LEU 29 2HB LEU 29 1.466 -8.889 -8.846 199 HG LEU 29 HG LEU 29 2.517 -9.776 -11.490 200 HD11 LEU 29 1HD1 LEU 29 -0.345 -9.782 -10.651 201 HD12 LEU 29 2HD1 LEU 29 0.515 -10.875 -11.735 202 HD13 LEU 29 3HD1 LEU 29 0.082 -9.255 -12.279 203 HD21 LEU 29 3HD2 LEU 29 0.843 -7.368 -10.945 204 HD22 LEU 29 1HD2 LEU 29 2.145 -7.596 -12.113 205 HD23 LEU 29 2HD2 LEU 29 2.521 -7.397 -10.401 206 H LYS 30 H LYS 30 4.694 -8.486 -7.319 207 HA LYS 30 HA LYS 30 3.947 -10.115 -4.998 208 HB2 LYS 30 1HB LYS 30 6.165 -8.109 -5.419 209 HB3 LYS 30 2HB LYS 30 5.817 -8.863 -3.869 210 HG2 LYS 30 1HG LYS 30 6.256 -10.626 -6.219 211 HG3 LYS 30 2HG LYS 30 7.651 -9.822 -5.495 212 HD2 LYS 30 1HD LYS 30 7.655 -11.668 -4.183 213 HD3 LYS 30 2HD LYS 30 6.461 -10.742 -3.271 214 HE2 LYS 30 1HE LYS 30 4.740 -11.862 -4.838 215 HE3 LYS 30 2HE LYS 30 6.036 -13.002 -5.194 216 HZ1 LYS 30 3HZ LYS 30 5.845 -13.965 -3.196 217 HZ2 LYS 30 1HZ LYS 30 4.307 -13.262 -3.165 218 HZ3 LYS 30 2HZ LYS 30 5.599 -12.504 -2.380 219 H GLU 31 H GLU 31 2.280 -9.415 -3.847 220 HA GLU 31 HA GLU 31 0.706 -8.042 -2.926 221 HB2 GLU 31 1HB GLU 31 3.323 -6.709 -2.391 222 HB3 GLU 31 2HB GLU 31 1.846 -5.853 -1.972 223 HG2 GLU 31 1HG GLU 31 1.184 -7.972 -0.714 224 HG3 GLU 31 2HG GLU 31 2.870 -8.452 -0.892 225 HA PRO 32 HA PRO 32 0.773 -5.272 -6.775 226 HB2 PRO 32 1HB PRO 32 -1.098 -6.623 -8.204 227 HB3 PRO 32 2HB PRO 32 0.631 -6.972 -8.314 228 HG2 PRO 32 1HG PRO 32 -1.492 -8.388 -6.749 229 HG3 PRO 32 2HG PRO 32 -0.169 -9.071 -7.712 230 HD2 PRO 32 1HD PRO 32 -0.057 -8.879 -5.014 231 HD3 PRO 32 2HD PRO 32 1.385 -8.745 -6.041 232 H VAL 33 H VAL 33 -1.034 -3.973 -7.545 233 HA VAL 33 HA VAL 33 -3.404 -4.061 -5.804 234 HB VAL 33 HB VAL 33 -3.403 -1.631 -5.614 235 HG11 VAL 33 1HG1 VAL 33 -0.794 -2.883 -4.764 236 HG12 VAL 33 2HG1 VAL 33 -1.455 -1.375 -4.130 237 HG13 VAL 33 3HG1 VAL 33 -2.308 -2.895 -3.860 238 HG21 VAL 33 3HG2 VAL 33 -1.231 -0.445 -6.275 239 HG22 VAL 33 1HG2 VAL 33 -0.931 -1.847 -7.302 240 HG23 VAL 33 2HG2 VAL 33 -2.364 -0.853 -7.562 241 H SER 34 H SER 34 -5.231 -4.092 -6.925 242 HA SER 34 HA SER 34 -5.228 -3.771 -9.768 243 HB2 SER 34 1HB SER 34 -7.452 -4.245 -7.775 244 HB3 SER 34 2HB SER 34 -7.714 -4.155 -9.516 245 HG SER 34 HG SER 34 -6.289 -6.079 -8.031 246 H ALA 35 H ALA 35 -6.721 -2.337 -10.926 247 HA ALA 35 HA ALA 35 -7.216 0.199 -9.518 248 HB1 ALA 35 3HB ALA 35 -5.830 -0.201 -12.151 249 HB2 ALA 35 1HB ALA 35 -6.579 1.333 -11.708 250 HB3 ALA 35 2HB ALA 35 -5.265 0.677 -10.730 251 H ASP 36 H ASP 36 -8.493 1.681 -11.242 252 HA ASP 36 HA ASP 36 -11.049 0.548 -11.457 253 HB2 ASP 36 1HB ASP 36 -10.958 2.899 -11.316 254 HB3 ASP 36 2HB ASP 36 -9.797 3.019 -12.635 255 H CYS 37 H CYS 37 -8.403 0.784 -13.745 256 HA CYS 37 HA CYS 37 -10.009 -0.209 -15.943 257 HB2 CYS 37 1HB CYS 37 -7.828 -0.158 -17.183 258 HB3 CYS 37 2HB CYS 37 -8.315 1.394 -16.509 259 H ASN 38 H ASN 38 -9.877 -1.919 -13.665 260 HA ASN 38 HA ASN 38 -9.249 -4.026 -12.977 261 HB2 ASN 38 1HB ASN 38 -10.946 -4.188 -14.953 262 HB3 ASN 38 2HB ASN 38 -9.568 -4.810 -15.857 263 HD21 ASN 38 1HD2 ASN 38 -8.928 -6.864 -15.554 264 HD22 ASN 38 2HD2 ASN 38 -9.668 -7.964 -14.447 265 H HIS 39 H HIS 39 -6.959 -2.539 -13.418 266 HA HIS 39 HA HIS 39 -5.141 -4.586 -14.503 267 HB2 HIS 39 1HB HIS 39 -4.991 -1.590 -14.850 268 HB3 HIS 39 2HB HIS 39 -3.627 -2.661 -15.158 269 HD2 HIS 39 2HD HIS 39 -5.870 -4.895 -16.639 270 HE1 HIS 39 1HE HIS 39 -5.826 -1.814 -19.555 271 HE2 HIS 39 2HE HIS 39 -6.490 -4.190 -19.049 272 H SER 40 H SER 40 -3.680 -5.284 -13.093 273 HA SER 40 HA SER 40 -3.094 -3.602 -10.744 274 HB2 SER 40 1HB SER 40 -4.425 -5.764 -10.371 275 HB3 SER 40 2HB SER 40 -2.930 -6.614 -10.759 276 HG SER 40 HG SER 40 -2.060 -5.043 -9.050 277 H PHE 41 H PHE 41 -0.972 -3.610 -9.934 278 HA PHE 41 HA PHE 41 1.085 -4.990 -11.466 279 HB2 PHE 41 1HB PHE 41 1.485 -2.059 -11.010 280 HB3 PHE 41 2HB PHE 41 2.222 -3.112 -12.213 281 HD1 PHE 41 1HD PHE 41 -1.013 -1.548 -11.271 282 HD2 PHE 41 2HD PHE 41 1.403 -3.161 -14.383 283 HE1 PHE 41 1HE PHE 41 -2.653 -0.782 -12.938 284 HE2 PHE 41 2HE PHE 41 -0.233 -2.396 -16.054 285 HZ PHE 41 HZ PHE 41 -2.263 -1.204 -15.332 286 H CYS 42 H CYS 42 3.257 -4.729 -10.462 287 HA CYS 42 HA CYS 42 3.256 -5.422 -7.789 288 HB2 CYS 42 1HB CYS 42 5.542 -4.037 -9.199 289 HB3 CYS 42 2HB CYS 42 5.646 -5.138 -7.830 290 H ARG 43 H ARG 43 2.963 -4.338 -5.961 291 HA ARG 43 HA ARG 43 2.076 -1.851 -5.594 292 HB2 ARG 43 1HB ARG 43 2.783 -3.731 -3.872 293 HB3 ARG 43 2HB ARG 43 4.199 -2.707 -3.678 294 HG2 ARG 43 1HG ARG 43 3.026 -1.031 -2.679 295 HG3 ARG 43 2HG ARG 43 1.528 -1.425 -3.526 296 HD2 ARG 43 1HD ARG 43 1.407 -3.509 -2.130 297 HD3 ARG 43 2HD ARG 43 2.759 -2.876 -1.192 298 HE ARG 43 HE ARG 43 0.724 -0.942 -1.301 299 HH11 ARG 43 1HH1 ARG 43 1.407 -4.050 0.111 300 HH12 ARG 43 2HH1 ARG 43 0.383 -3.796 1.486 301 HH21 ARG 43 1HH2 ARG 43 -0.627 -0.595 0.504 302 HH22 ARG 43 2HH2 ARG 43 -0.774 -1.831 1.708 303 H ALA 44 H ALA 44 5.497 -2.683 -5.946 304 HA ALA 44 HA ALA 44 6.416 0.006 -5.611 305 HB1 ALA 44 3HB ALA 44 8.442 -1.304 -6.917 306 HB2 ALA 44 1HB ALA 44 8.220 -1.234 -5.169 307 HB3 ALA 44 2HB ALA 44 7.607 -2.613 -6.081 308 H CYS 45 H CYS 45 6.495 -2.150 -8.459 309 HA CYS 45 HA CYS 45 7.275 -0.489 -10.417 310 HB2 CYS 45 1HB CYS 45 5.080 -2.550 -10.453 311 HB3 CYS 45 2HB CYS 45 5.553 -1.687 -11.912 312 H ILE 46 H ILE 46 3.805 -0.860 -9.664 313 HA ILE 46 HA ILE 46 2.798 1.177 -11.185 314 HB ILE 46 HB ILE 46 1.421 -0.404 -9.863 315 HG12 ILE 46 1HG1 ILE 46 -0.232 1.446 -9.037 316 HG13 ILE 46 2HG1 ILE 46 0.928 2.554 -9.759 317 HG21 ILE 46 1HG2 ILE 46 2.534 -0.385 -7.756 318 HG22 ILE 46 2HG2 ILE 46 2.275 1.348 -7.569 319 HG23 ILE 46 3HG2 ILE 46 0.906 0.239 -7.497 320 HD11 ILE 46 3HD1 ILE 46 0.087 0.304 -11.455 321 HD12 ILE 46 1HD1 ILE 46 -1.156 1.495 -11.074 322 HD13 ILE 46 2HD1 ILE 46 0.342 2.003 -11.856 323 H THR 47 H THR 47 4.453 1.417 -8.106 324 HA THR 47 HA THR 47 3.820 4.162 -7.641 325 HB THR 47 HB THR 47 6.122 2.566 -6.502 326 HG1 THR 47 1HG THR 47 3.480 2.953 -5.497 327 HG21 THR 47 3HG2 THR 47 6.109 5.115 -6.300 328 HG22 THR 47 1HG2 THR 47 6.259 4.192 -4.805 329 HG23 THR 47 2HG2 THR 47 4.709 4.907 -5.249 330 H LEU 48 H LEU 48 6.709 2.483 -8.862 331 HA LEU 48 HA LEU 48 8.235 4.817 -9.302 332 HB2 LEU 48 1HB LEU 48 9.414 2.793 -9.185 333 HB3 LEU 48 2HB LEU 48 8.370 2.018 -10.374 334 HG LEU 48 HG LEU 48 9.362 3.564 -12.096 335 HD11 LEU 48 1HD1 LEU 48 10.384 4.876 -9.900 336 HD12 LEU 48 2HD1 LEU 48 10.872 5.117 -11.578 337 HD13 LEU 48 3HD1 LEU 48 11.779 4.010 -10.546 338 HD21 LEU 48 3HD2 LEU 48 11.760 2.265 -11.513 339 HD22 LEU 48 1HD2 LEU 48 10.447 1.675 -12.534 340 HD23 LEU 48 2HD2 LEU 48 10.500 1.239 -10.826 341 H ASN 49 H ASN 49 5.864 3.119 -11.235 342 HA ASN 49 HA ASN 49 6.448 4.553 -13.654 343 HB2 ASN 49 1HB ASN 49 4.510 2.491 -12.788 344 HB3 ASN 49 2HB ASN 49 3.966 3.554 -14.082 345 HD21 ASN 49 1HD2 ASN 49 5.346 3.728 -15.975 346 HD22 ASN 49 2HD2 ASN 49 6.278 2.357 -16.462 347 H TYR 50 H TYR 50 3.908 4.695 -11.179 348 HA TYR 50 HA TYR 50 2.458 6.810 -12.371 349 HB2 TYR 50 1HB TYR 50 1.207 5.646 -10.807 350 HB3 TYR 50 2HB TYR 50 2.532 5.563 -9.652 351 HD1 TYR 50 2HD TYR 50 0.123 7.944 -11.194 352 HD2 TYR 50 1HD TYR 50 2.638 7.074 -7.874 353 HE1 TYR 50 2HE TYR 50 -0.821 9.865 -9.983 354 HE2 TYR 50 1HE TYR 50 1.700 8.992 -6.653 355 HH TYR 50 HH TYR 50 0.507 11.322 -7.523 356 H GLU 51 H GLU 51 4.811 6.777 -9.699 357 HA GLU 51 HA GLU 51 4.875 9.376 -8.945 358 HB2 GLU 51 1HB GLU 51 7.128 7.423 -9.335 359 HB3 GLU 51 2HB GLU 51 7.425 9.042 -8.717 360 HG2 GLU 51 1HG GLU 51 5.366 7.308 -7.430 361 HG3 GLU 51 2HG GLU 51 7.076 7.073 -7.072 362 H SER 52 H SER 52 5.917 8.087 -11.995 363 HA SER 52 HA SER 52 6.994 10.707 -12.780 364 HB2 SER 52 1HB SER 52 8.323 8.507 -13.086 365 HB3 SER 52 2HB SER 52 7.220 8.197 -14.427 366 HG SER 52 HG SER 52 8.797 10.541 -14.141 367 H ASN 53 H ASN 53 4.559 8.307 -13.545 368 HA ASN 53 HA ASN 53 3.623 9.803 -15.853 369 HB2 ASN 53 1HB ASN 53 3.008 7.147 -14.643 370 HB3 ASN 53 2HB ASN 53 1.769 7.910 -15.635 371 HD21 ASN 53 1HD2 ASN 53 4.769 6.268 -15.589 372 HD22 ASN 53 2HD2 ASN 53 5.015 6.200 -17.298 373 H ARG 54 H ARG 54 3.497 10.825 -13.017 374 HA ARG 54 HA ARG 54 0.630 11.003 -12.545 375 HB2 ARG 54 1HB ARG 54 1.158 11.970 -10.455 376 HB3 ARG 54 2HB ARG 54 2.357 10.707 -10.702 377 HG2 ARG 54 1HG ARG 54 4.054 12.255 -11.173 378 HG3 ARG 54 2HG ARG 54 2.900 13.569 -11.415 379 HD2 ARG 54 1HD ARG 54 2.272 13.293 -8.983 380 HD3 ARG 54 2HD ARG 54 3.670 12.230 -8.832 381 HE ARG 54 HE ARG 54 3.684 15.102 -9.071 382 HH11 ARG 54 1HH1 ARG 54 5.518 12.168 -9.457 383 HH12 ARG 54 2HH1 ARG 54 7.054 12.954 -9.313 384 HH21 ARG 54 1HH2 ARG 54 5.701 16.149 -8.879 385 HH22 ARG 54 2HH2 ARG 54 7.158 15.219 -8.983 386 H ASN 55 H ASN 55 -0.087 13.323 -11.817 387 HA ASN 55 HA ASN 55 0.952 15.312 -13.715 388 HB2 ASN 55 1HB ASN 55 -1.550 16.033 -13.896 389 HB3 ASN 55 2HB ASN 55 -0.969 14.681 -14.863 390 HD21 ASN 55 1HD2 ASN 55 -2.517 13.231 -14.989 391 HD22 ASN 55 2HD2 ASN 55 -3.487 12.661 -13.678 392 H THR 56 H THR 56 0.219 17.547 -13.182 393 HA THR 56 HA THR 56 1.008 18.409 -10.741 394 HB THR 56 HB THR 56 -0.485 20.424 -11.083 395 HG1 THR 56 1HG THR 56 -1.314 20.285 -13.434 396 HG21 THR 56 3HG2 THR 56 1.357 19.438 -13.248 397 HG22 THR 56 1HG2 THR 56 1.706 20.576 -11.947 398 HG23 THR 56 2HG2 THR 56 0.650 21.053 -13.278 399 H ASP 57 H ASP 57 -2.390 17.787 -11.627 400 HA ASP 57 HA ASP 57 -3.557 18.341 -9.177 401 HB2 ASP 57 1HB ASP 57 -4.293 16.557 -11.463 402 HB3 ASP 57 2HB ASP 57 -5.235 16.472 -9.977 403 H GLY 58 H GLY 58 -2.283 15.238 -10.362 404 HA2 GLY 58 1HA GLY 58 -1.009 14.195 -8.319 405 HA3 GLY 58 2HA GLY 58 -2.647 14.086 -7.693 406 H LYS 59 H LYS 59 -4.015 13.401 -10.023 407 HA LYS 59 HA LYS 59 -3.768 10.635 -10.062 408 HB2 LYS 59 1HB LYS 59 -4.919 12.433 -12.205 409 HB3 LYS 59 2HB LYS 59 -5.202 10.702 -12.071 410 HG2 LYS 59 1HG LYS 59 -6.338 11.013 -9.962 411 HG3 LYS 59 2HG LYS 59 -5.979 12.740 -9.995 412 HD2 LYS 59 1HD LYS 59 -8.138 12.711 -10.798 413 HD3 LYS 59 2HD LYS 59 -7.212 12.654 -12.299 414 HE2 LYS 59 1HE LYS 59 -8.140 10.159 -10.908 415 HE3 LYS 59 2HE LYS 59 -9.171 11.027 -12.044 416 HZ1 LYS 59 3HZ LYS 59 -6.919 10.820 -13.454 417 HZ2 LYS 59 1HZ LYS 59 -8.175 9.690 -13.526 418 HZ3 LYS 59 2HZ LYS 59 -6.829 9.396 -12.546 419 H GLY 60 H GLY 60 -3.318 9.293 -12.057 420 HA2 GLY 60 1HA GLY 60 -1.042 10.371 -13.588 421 HA3 GLY 60 2HA GLY 60 -0.899 8.824 -12.767 422 H ASN 61 H ASN 61 -0.443 7.873 -14.824 423 HA ASN 61 HA ASN 61 -2.895 7.265 -16.316 424 HB2 ASN 61 1HB ASN 61 -0.259 8.160 -17.479 425 HB3 ASN 61 2HB ASN 61 -1.461 7.289 -18.427 426 HD21 ASN 61 1HD2 ASN 61 -0.347 10.271 -17.610 427 HD22 ASN 61 2HD2 ASN 61 -1.744 11.214 -17.989 428 H CYS 62 H CYS 62 -2.948 5.216 -17.291 429 HA CYS 62 HA CYS 62 -1.226 3.269 -16.004 430 HB2 CYS 62 1HB CYS 62 -3.663 2.891 -16.127 431 HB3 CYS 62 2HB CYS 62 -3.561 2.862 -17.885 432 HA PRO 63 HA PRO 63 1.516 3.048 -19.487 433 HB2 PRO 63 1HB PRO 63 2.945 0.909 -18.617 434 HB3 PRO 63 2HB PRO 63 3.153 2.536 -17.959 435 HG2 PRO 63 1HG PRO 63 1.590 0.233 -16.857 436 HG3 PRO 63 2HG PRO 63 2.654 1.371 -16.009 437 HD2 PRO 63 1HD PRO 63 -0.044 1.602 -15.983 438 HD3 PRO 63 2HD PRO 63 1.036 3.010 -15.917 439 H VAL 64 H VAL 64 -1.070 1.162 -18.907 440 HA VAL 64 HA VAL 64 -0.403 -0.737 -21.063 441 HB VAL 64 HB VAL 64 -2.401 -1.088 -18.823 442 HG11 VAL 64 1HG1 VAL 64 -2.765 -2.101 -21.240 443 HG12 VAL 64 2HG1 VAL 64 -1.619 -3.303 -20.643 444 HG13 VAL 64 3HG1 VAL 64 -3.134 -3.024 -19.783 445 HG21 VAL 64 3HG2 VAL 64 -0.933 -2.705 -17.910 446 HG22 VAL 64 1HG2 VAL 64 0.098 -2.682 -19.341 447 HG23 VAL 64 2HG2 VAL 64 0.058 -1.289 -18.261 448 H CYS 65 H CYS 65 -3.166 0.968 -19.584 449 HA CYS 65 HA CYS 65 -4.439 1.043 -22.235 450 HB2 CYS 65 1HB CYS 65 -6.546 1.447 -21.031 451 HB3 CYS 65 2HB CYS 65 -5.780 -0.048 -20.504 452 H ARG 66 H ARG 66 -2.930 2.953 -19.849 453 HA ARG 66 HA ARG 66 -2.476 5.177 -19.702 454 HB2 ARG 66 1HB ARG 66 -3.568 5.197 -22.521 455 HB3 ARG 66 2HB ARG 66 -2.758 6.557 -21.755 456 HG2 ARG 66 1HG ARG 66 -1.421 3.888 -21.999 457 HG3 ARG 66 2HG ARG 66 -1.399 5.058 -23.320 458 HD2 ARG 66 1HD ARG 66 -0.631 6.682 -21.375 459 HD3 ARG 66 2HD ARG 66 -0.091 5.167 -20.653 460 HE ARG 66 HE ARG 66 1.150 6.558 -22.784 461 HH11 ARG 66 1HH1 ARG 66 0.416 3.346 -21.660 462 HH12 ARG 66 2HH1 ARG 66 1.764 2.615 -22.465 463 HH21 ARG 66 1HH2 ARG 66 2.929 5.608 -23.849 464 HH22 ARG 66 2HH2 ARG 66 3.194 3.903 -23.710 465 H VAL 67 H VAL 67 -4.830 4.311 -18.544 466 HA VAL 67 HA VAL 67 -6.787 6.414 -19.167 467 HB VAL 67 HB VAL 67 -7.143 3.917 -17.502 468 HG11 VAL 67 1HG1 VAL 67 -9.441 4.470 -17.343 469 HG12 VAL 67 2HG1 VAL 67 -8.548 5.925 -16.896 470 HG13 VAL 67 3HG1 VAL 67 -9.275 5.792 -18.498 471 HG21 VAL 67 3HG2 VAL 67 -8.147 2.891 -19.311 472 HG22 VAL 67 1HG2 VAL 67 -8.485 4.420 -20.124 473 HG23 VAL 67 2HG2 VAL 67 -6.840 3.784 -20.088 474 HA PRO 68 HA PRO 68 -5.533 8.575 -15.516 475 HB2 PRO 68 1HB PRO 68 -7.638 10.284 -15.386 476 HB3 PRO 68 2HB PRO 68 -6.327 10.462 -16.558 477 HG2 PRO 68 1HG PRO 68 -9.049 9.272 -16.927 478 HG3 PRO 68 2HG PRO 68 -8.149 10.360 -18.000 479 HD2 PRO 68 1HD PRO 68 -8.288 7.688 -18.417 480 HD3 PRO 68 2HD PRO 68 -6.864 8.651 -18.861 481 H TYR 69 H TYR 69 -5.669 7.370 -13.701 482 HA TYR 69 HA TYR 69 -8.353 6.870 -12.588 483 HB2 TYR 69 1HB TYR 69 -7.391 4.928 -11.432 484 HB3 TYR 69 2HB TYR 69 -7.196 4.794 -13.176 485 HD1 TYR 69 1HD TYR 69 -5.467 5.282 -9.983 486 HD2 TYR 69 2HD TYR 69 -4.997 4.922 -14.196 487 HE1 TYR 69 1HE TYR 69 -3.051 4.937 -9.678 488 HE2 TYR 69 2HE TYR 69 -2.580 4.575 -13.903 489 HH TYR 69 HH TYR 69 -1.152 3.626 -11.369 490 HA PRO 70 HA PRO 70 -7.291 9.394 -9.147 491 HB2 PRO 70 1HB PRO 70 -8.918 8.306 -7.266 492 HB3 PRO 70 2HB PRO 70 -9.518 9.315 -8.587 493 HG2 PRO 70 1HG PRO 70 -9.486 6.331 -8.346 494 HG3 PRO 70 2HG PRO 70 -10.776 7.392 -8.942 495 HD2 PRO 70 1HD PRO 70 -9.127 6.031 -10.602 496 HD3 PRO 70 2HD PRO 70 -9.804 7.618 -11.019 497 H PHE 71 H PHE 71 -5.277 9.111 -8.363 498 HA PHE 71 HA PHE 71 -4.113 6.740 -7.510 499 HB2 PHE 71 1HB PHE 71 -2.977 8.967 -8.001 500 HB3 PHE 71 2HB PHE 71 -3.423 9.445 -6.367 501 HD1 PHE 71 1HD PHE 71 -1.840 6.520 -8.066 502 HD2 PHE 71 2HD PHE 71 -1.802 9.214 -4.770 503 HE1 PHE 71 1HE PHE 71 0.187 5.427 -7.199 504 HE2 PHE 71 2HE PHE 71 0.225 8.126 -3.899 505 HZ PHE 71 HZ PHE 71 1.223 6.230 -5.114 506 H GLY 72 H GLY 72 -3.518 6.030 -5.358 507 HA2 GLY 72 1HA GLY 72 -3.857 5.740 -3.075 508 HA3 GLY 72 2HA GLY 72 -5.009 7.066 -3.105 509 H ASN 73 H ASN 73 -6.477 5.791 -5.367 510 HA ASN 73 HA ASN 73 -8.190 4.132 -3.728 511 HB2 ASN 73 1HB ASN 73 -8.412 5.257 -6.514 512 HB3 ASN 73 2HB ASN 73 -9.571 4.083 -5.899 513 HD21 ASN 73 1HD2 ASN 73 -8.048 7.162 -5.039 514 HD22 ASN 73 2HD2 ASN 73 -9.451 7.847 -4.301 515 H LEU 74 H LEU 74 -5.661 2.987 -4.210 516 HA LEU 74 HA LEU 74 -6.214 0.853 -6.148 517 HB2 LEU 74 1HB LEU 74 -3.646 1.581 -4.746 518 HB3 LEU 74 2HB LEU 74 -3.834 0.311 -5.954 519 HG LEU 74 HG LEU 74 -4.465 3.165 -6.620 520 HD11 LEU 74 1HD1 LEU 74 -1.980 2.394 -5.700 521 HD12 LEU 74 2HD1 LEU 74 -2.334 3.799 -6.704 522 HD13 LEU 74 3HD1 LEU 74 -1.830 2.285 -7.454 523 HD21 LEU 74 3HD2 LEU 74 -4.749 0.809 -7.995 524 HD22 LEU 74 1HD2 LEU 74 -3.204 1.419 -8.587 525 HD23 LEU 74 2HD2 LEU 74 -4.653 2.416 -8.717 526 H LYS 75 H LYS 75 -6.872 -1.061 -5.448 527 HA LYS 75 HA LYS 75 -7.022 -1.640 -2.642 528 HB2 LYS 75 1HB LYS 75 -7.722 -3.262 -5.092 529 HB3 LYS 75 2HB LYS 75 -7.982 -3.826 -3.446 530 HG2 LYS 75 1HG LYS 75 -9.376 -1.740 -3.100 531 HG3 LYS 75 2HG LYS 75 -9.301 -1.524 -4.850 532 HD2 LYS 75 1HD LYS 75 -10.339 -3.691 -5.190 533 HD3 LYS 75 2HD LYS 75 -10.342 -3.986 -3.449 534 HE2 LYS 75 1HE LYS 75 -12.484 -3.240 -3.723 535 HE3 LYS 75 2HE LYS 75 -11.670 -1.708 -3.415 536 HZ1 LYS 75 3HZ LYS 75 -12.172 -0.982 -5.440 537 HZ2 LYS 75 1HZ LYS 75 -13.221 -2.303 -5.580 538 HZ3 LYS 75 2HZ LYS 75 -11.645 -2.406 -6.185 539 HA PRO 76 HA PRO 76 -3.267 -3.857 -2.095 540 HB2 PRO 76 1HB PRO 76 -4.010 -5.595 -0.147 541 HB3 PRO 76 2HB PRO 76 -3.759 -3.870 0.149 542 HG2 PRO 76 1HG PRO 76 -6.316 -5.365 -0.286 543 HG3 PRO 76 2HG PRO 76 -5.949 -4.095 0.896 544 HD2 PRO 76 1HD PRO 76 -7.299 -3.603 -1.400 545 HD3 PRO 76 2HD PRO 76 -6.227 -2.405 -0.646 546 H ASN 77 H ASN 77 -5.902 -5.145 -3.603 547 HA ASN 77 HA ASN 77 -6.338 -7.046 -4.779 548 HB2 ASN 77 1HB ASN 77 -3.993 -6.175 -5.636 549 HB3 ASN 77 2HB ASN 77 -3.416 -7.668 -4.900 550 HD21 ASN 77 1HD2 ASN 77 -3.379 -6.967 -7.673 551 HD22 ASN 77 2HD2 ASN 77 -4.338 -8.138 -8.505 552 H LEU 78 H LEU 78 -6.457 -7.375 -2.005 553 HA LEU 78 HA LEU 78 -5.196 -9.962 -1.476 554 HB2 LEU 78 1HB LEU 78 -6.454 -7.851 0.214 555 HB3 LEU 78 2HB LEU 78 -6.376 -9.505 0.820 556 HG LEU 78 HG LEU 78 -3.922 -8.046 -0.116 557 HD11 LEU 78 1HD1 LEU 78 -5.400 -7.796 2.456 558 HD12 LEU 78 2HD1 LEU 78 -4.509 -6.579 1.541 559 HD13 LEU 78 3HD1 LEU 78 -3.636 -7.791 2.480 560 HD21 LEU 78 3HD2 LEU 78 -3.861 -10.510 0.157 561 HD22 LEU 78 1HD2 LEU 78 -4.297 -10.298 1.853 562 HD23 LEU 78 2HD2 LEU 78 -2.769 -9.656 1.249 563 H HIS 79 H HIS 79 -6.378 -11.488 -2.522 564 HA HIS 79 HA HIS 79 -8.147 -12.803 -3.119 565 HB2 HIS 79 1HB HIS 79 -8.902 -12.139 -0.267 566 HB3 HIS 79 2HB HIS 79 -9.655 -13.412 -1.223 567 HD2 HIS 79 2HD HIS 79 -5.769 -12.974 -1.254 568 HE1 HIS 79 1HE HIS 79 -6.724 -16.557 0.807 569 HE2 HIS 79 2HE HIS 79 -4.872 -15.088 -0.064 570 H VAL 80 H VAL 80 -8.455 -10.255 -4.093 571 HA VAL 80 HA VAL 80 -11.085 -9.253 -3.457 572 HB VAL 80 HB VAL 80 -10.685 -7.642 -5.283 573 HG11 VAL 80 1HG1 VAL 80 -9.543 -6.354 -3.864 574 HG12 VAL 80 2HG1 VAL 80 -9.440 -7.775 -2.823 575 HG13 VAL 80 3HG1 VAL 80 -8.123 -7.397 -3.935 576 HG21 VAL 80 3HG2 VAL 80 -8.486 -9.515 -5.864 577 HG22 VAL 80 1HG2 VAL 80 -9.408 -8.471 -6.947 578 HG23 VAL 80 2HG2 VAL 80 -8.085 -7.802 -5.991 579 H ALA 81 H ALA 81 -11.221 -11.918 -4.251 580 HA ALA 81 HA ALA 81 -12.672 -11.671 -6.802 581 HB1 ALA 81 3HB ALA 81 -10.859 -12.909 -7.503 582 HB2 ALA 81 1HB ALA 81 -10.695 -13.743 -5.957 583 HB3 ALA 81 2HB ALA 81 -12.002 -14.176 -7.059 584 H ASN 82 H ASN 82 -14.638 -11.419 -5.703 585 HA ASN 82 HA ASN 82 -15.503 -13.647 -4.005 586 HB2 ASN 82 1HB ASN 82 -16.391 -10.809 -4.336 587 HB3 ASN 82 2HB ASN 82 -17.544 -11.998 -3.739 588 HD21 ASN 82 1HD2 ASN 82 -14.176 -11.017 -3.205 589 HD22 ASN 82 2HD2 ASN 82 -14.241 -11.123 -1.482 590 H ILE 83 H ILE 83 -15.264 -14.266 -6.686 591 HA ILE 83 HA ILE 83 -16.389 -15.005 -8.537 592 HB ILE 83 HB ILE 83 -18.521 -15.643 -6.497 593 HG12 ILE 83 1HG1 ILE 83 -16.406 -17.576 -7.368 594 HG13 ILE 83 2HG1 ILE 83 -16.031 -16.397 -6.116 595 HG21 ILE 83 1HG2 ILE 83 -17.993 -16.493 -9.299 596 HG22 ILE 83 2HG2 ILE 83 -18.685 -17.662 -8.176 597 HG23 ILE 83 3HG2 ILE 83 -19.522 -16.143 -8.494 598 HD11 ILE 83 3HD1 ILE 83 -17.208 -18.873 -5.771 599 HD12 ILE 83 1HD1 ILE 83 -17.108 -17.575 -4.582 600 HD13 ILE 83 2HD1 ILE 83 -18.539 -17.729 -5.601 601 H VAL 84 H VAL 84 -16.592 -12.396 -8.663 602 HA VAL 84 HA VAL 84 -19.174 -11.273 -8.513 603 HB VAL 84 HB VAL 84 -16.844 -10.444 -10.249 604 HG11 VAL 84 1HG1 VAL 84 -18.894 -8.503 -9.356 605 HG12 VAL 84 2HG1 VAL 84 -17.961 -8.563 -10.853 606 HG13 VAL 84 3HG1 VAL 84 -19.355 -9.623 -10.638 607 HG21 VAL 84 3HG2 VAL 84 -16.166 -9.017 -8.516 608 HG22 VAL 84 1HG2 VAL 84 -17.694 -9.194 -7.655 609 HG23 VAL 84 2HG2 VAL 84 -16.552 -10.536 -7.708 610 H GLU 85 H GLU 85 -20.802 -12.297 -9.546 611 HA GLU 85 HA GLU 85 -20.673 -13.696 -11.941 612 HB2 GLU 85 1HB GLU 85 -22.570 -13.754 -10.324 613 HB3 GLU 85 2HB GLU 85 -23.060 -12.165 -10.895 614 HG2 GLU 85 1HG GLU 85 -24.444 -13.611 -12.055 615 HG3 GLU 85 2HG GLU 85 -23.167 -13.247 -13.215 Start of MODEL 19 1 H1 GLY 1 H GLY 1 18.508 20.300 -13.105 2 HA2 GLY 1 1HA GLY 1 16.298 18.748 -12.260 3 HA3 GLY 1 2HA GLY 1 15.968 19.425 -13.847 4 H SER 2 H SER 2 16.159 16.666 -13.312 5 HA SER 2 HA SER 2 18.236 15.970 -15.209 6 HB2 SER 2 1HB SER 2 18.263 15.049 -12.346 7 HB3 SER 2 2HB SER 2 18.951 14.043 -13.621 8 HG SER 2 HG SER 2 19.710 16.713 -13.601 9 H SER 3 H SER 3 18.162 13.452 -15.526 10 HA SER 3 HA SER 3 15.601 12.231 -15.049 11 HB2 SER 3 1HB SER 3 15.492 13.858 -17.146 12 HB3 SER 3 2HB SER 3 16.242 12.483 -17.955 13 HG SER 3 HG SER 3 14.144 11.761 -16.367 14 H GLY 4 H GLY 4 15.632 10.020 -15.344 15 HA2 GLY 4 1HA GLY 4 17.725 8.704 -16.803 16 HA3 GLY 4 2HA GLY 4 17.971 8.628 -15.065 17 H SER 5 H SER 5 17.641 6.342 -16.597 18 HA SER 5 HA SER 5 15.516 5.065 -15.212 19 HB2 SER 5 1HB SER 5 14.456 6.344 -17.263 20 HB3 SER 5 2HB SER 5 15.075 4.964 -18.170 21 HG SER 5 HG SER 5 13.025 4.446 -17.513 22 H SER 6 H SER 6 15.272 2.744 -15.949 23 HA SER 6 HA SER 6 17.630 1.715 -17.338 24 HB2 SER 6 1HB SER 6 16.812 0.884 -14.544 25 HB3 SER 6 2HB SER 6 18.003 0.036 -15.530 26 HG SER 6 HG SER 6 18.153 2.601 -14.377 27 H GLY 7 H GLY 7 17.434 -0.727 -17.629 28 HA2 GLY 7 1HA GLY 7 14.858 -1.936 -17.461 29 HA3 GLY 7 2HA GLY 7 15.169 -1.345 -19.087 30 H MET 8 H MET 8 14.751 -3.943 -18.938 31 HA MET 8 HA MET 8 17.174 -5.073 -19.884 32 HB2 MET 8 1HB MET 8 17.406 -6.859 -18.185 33 HB3 MET 8 2HB MET 8 17.731 -5.257 -17.535 34 HG2 MET 8 1HG MET 8 15.359 -5.243 -16.694 35 HG3 MET 8 2HG MET 8 15.283 -6.948 -17.135 36 HE1 MET 8 3HE MET 8 18.100 -8.502 -15.371 37 HE2 MET 8 1HE MET 8 16.477 -8.914 -14.816 38 HE3 MET 8 2HE MET 8 16.769 -8.594 -16.525 39 H ALA 9 H ALA 9 16.874 -7.504 -20.289 40 HA ALA 9 HA ALA 9 14.303 -8.654 -20.303 41 HB1 ALA 9 3HB ALA 9 14.233 -6.711 -22.076 42 HB2 ALA 9 1HB ALA 9 15.028 -7.914 -23.092 43 HB3 ALA 9 2HB ALA 9 13.448 -8.259 -22.388 44 H SER 10 H SER 10 14.220 -10.651 -21.658 45 HA SER 10 HA SER 10 16.867 -11.680 -22.381 46 HB2 SER 10 1HB SER 10 16.038 -12.304 -19.967 47 HB3 SER 10 2HB SER 10 15.013 -13.452 -20.829 48 HG SER 10 HG SER 10 16.886 -14.520 -20.414 49 H SER 11 H SER 11 16.697 -13.801 -23.548 50 HA SER 11 HA SER 11 14.374 -13.710 -25.342 51 HB2 SER 11 1HB SER 11 17.217 -14.602 -25.686 52 HB3 SER 11 2HB SER 11 15.965 -15.244 -26.748 53 HG SER 11 HG SER 11 16.909 -12.614 -26.487 54 H VAL 12 H VAL 12 13.938 -14.897 -22.886 55 HA VAL 12 HA VAL 12 14.383 -17.667 -22.779 56 HB VAL 12 HB VAL 12 12.530 -17.742 -21.159 57 HG11 VAL 12 1HG1 VAL 12 14.517 -15.499 -20.896 58 HG12 VAL 12 2HG1 VAL 12 13.466 -16.010 -19.573 59 HG13 VAL 12 3HG1 VAL 12 14.633 -17.140 -20.260 60 HG21 VAL 12 3HG2 VAL 12 10.978 -16.214 -22.185 61 HG22 VAL 12 1HG2 VAL 12 11.376 -15.624 -20.571 62 HG23 VAL 12 2HG2 VAL 12 12.107 -14.873 -21.989 63 H LEU 13 H LEU 13 12.688 -19.357 -22.922 64 HA LEU 13 HA LEU 13 10.783 -18.826 -25.103 65 HB2 LEU 13 1HB LEU 13 12.524 -20.059 -26.108 66 HB3 LEU 13 2HB LEU 13 12.648 -21.151 -24.730 67 HG LEU 13 HG LEU 13 10.356 -22.008 -25.356 68 HD11 LEU 13 1HD1 LEU 13 9.276 -21.348 -27.226 69 HD12 LEU 13 2HD1 LEU 13 10.767 -21.024 -28.109 70 HD13 LEU 13 3HD1 LEU 13 10.167 -19.854 -26.935 71 HD21 LEU 13 3HD2 LEU 13 11.326 -23.208 -27.448 72 HD22 LEU 13 1HD2 LEU 13 12.068 -23.469 -25.870 73 HD23 LEU 13 2HD2 LEU 13 12.813 -22.360 -27.021 74 H GLU 14 H GLU 14 9.046 -18.611 -23.693 75 HA GLU 14 HA GLU 14 8.023 -21.136 -22.658 76 HB2 GLU 14 1HB GLU 14 8.311 -18.657 -20.953 77 HB3 GLU 14 2HB GLU 14 7.392 -20.085 -20.496 78 HG2 GLU 14 1HG GLU 14 9.293 -21.382 -20.228 79 HG3 GLU 14 2HG GLU 14 10.285 -20.307 -21.213 80 H MET 15 H MET 15 5.724 -21.048 -22.151 81 HA MET 15 HA MET 15 4.103 -20.112 -24.074 82 HB2 MET 15 1HB MET 15 2.284 -19.963 -22.262 83 HB3 MET 15 2HB MET 15 3.097 -21.506 -22.485 84 HG2 MET 15 1HG MET 15 4.679 -20.501 -20.605 85 HG3 MET 15 2HG MET 15 3.210 -19.607 -20.221 86 HE1 MET 15 3HE MET 15 4.990 -22.878 -19.017 87 HE2 MET 15 1HE MET 15 4.026 -24.063 -19.899 88 HE3 MET 15 2HE MET 15 4.938 -22.837 -20.780 89 H ILE 16 H ILE 16 3.253 -18.235 -24.761 90 HA ILE 16 HA ILE 16 4.286 -15.778 -23.769 91 HB ILE 16 HB ILE 16 2.126 -16.372 -25.787 92 HG12 ILE 16 1HG1 ILE 16 4.085 -15.163 -27.161 93 HG13 ILE 16 2HG1 ILE 16 5.053 -15.858 -25.866 94 HG21 ILE 16 1HG2 ILE 16 2.503 -13.912 -26.406 95 HG22 ILE 16 2HG2 ILE 16 1.503 -14.266 -24.998 96 HG23 ILE 16 3HG2 ILE 16 3.175 -13.749 -24.784 97 HD11 ILE 16 3HD1 ILE 16 3.112 -17.566 -27.350 98 HD12 ILE 16 1HD1 ILE 16 4.680 -17.182 -28.058 99 HD13 ILE 16 2HD1 ILE 16 4.593 -18.019 -26.507 100 H LYS 17 H LYS 17 3.668 -15.455 -21.655 101 HA LYS 17 HA LYS 17 0.781 -15.083 -21.195 102 HB2 LYS 17 1HB LYS 17 2.938 -15.856 -19.223 103 HB3 LYS 17 2HB LYS 17 1.269 -15.503 -18.792 104 HG2 LYS 17 1HG LYS 17 2.130 -17.714 -20.647 105 HG3 LYS 17 2HG LYS 17 1.759 -17.917 -18.933 106 HD2 LYS 17 1HD LYS 17 -0.518 -17.010 -19.388 107 HD3 LYS 17 2HD LYS 17 -0.123 -17.007 -21.109 108 HE2 LYS 17 1HE LYS 17 0.305 -19.444 -20.963 109 HE3 LYS 17 2HE LYS 17 -0.219 -19.405 -19.281 110 HZ1 LYS 17 3HZ LYS 17 -1.798 -19.223 -21.722 111 HZ2 LYS 17 1HZ LYS 17 -2.303 -18.262 -20.424 112 HZ3 LYS 17 2HZ LYS 17 -2.178 -19.938 -20.237 113 H GLU 18 H GLU 18 2.220 -13.041 -22.356 114 HA GLU 18 HA GLU 18 3.112 -11.197 -20.322 115 HB2 GLU 18 1HB GLU 18 3.542 -9.670 -22.151 116 HB3 GLU 18 2HB GLU 18 4.156 -11.265 -22.565 117 HG2 GLU 18 1HG GLU 18 1.989 -11.624 -23.818 118 HG3 GLU 18 2HG GLU 18 1.694 -9.900 -23.603 119 H GLU 19 H GLU 19 0.498 -12.000 -19.836 120 HA GLU 19 HA GLU 19 -0.971 -9.494 -20.321 121 HB2 GLU 19 1HB GLU 19 -2.119 -12.291 -20.244 122 HB3 GLU 19 2HB GLU 19 -3.064 -10.813 -20.355 123 HG2 GLU 19 1HG GLU 19 -1.841 -10.310 -22.487 124 HG3 GLU 19 2HG GLU 19 -1.164 -11.934 -22.393 125 H VAL 20 H VAL 20 -0.574 -12.309 -18.206 126 HA VAL 20 HA VAL 20 -1.969 -10.976 -16.033 127 HB VAL 20 HB VAL 20 -1.500 -13.044 -14.754 128 HG11 VAL 20 1HG1 VAL 20 -3.543 -13.319 -15.683 129 HG12 VAL 20 2HG1 VAL 20 -2.968 -12.978 -17.316 130 HG13 VAL 20 3HG1 VAL 20 -2.707 -14.570 -16.603 131 HG21 VAL 20 3HG2 VAL 20 -0.698 -14.766 -16.860 132 HG22 VAL 20 1HG2 VAL 20 0.443 -13.423 -16.792 133 HG23 VAL 20 2HG2 VAL 20 0.149 -14.404 -15.357 134 H THR 21 H THR 21 1.279 -11.614 -17.082 135 HA THR 21 HA THR 21 2.494 -11.016 -14.539 136 HB THR 21 HB THR 21 3.850 -11.116 -17.237 137 HG1 THR 21 1HG THR 21 2.716 -13.079 -16.773 138 HG21 THR 21 3HG2 THR 21 4.933 -10.196 -15.009 139 HG22 THR 21 1HG2 THR 21 5.850 -11.215 -16.117 140 HG23 THR 21 2HG2 THR 21 5.128 -11.914 -14.668 141 H CYS 22 H CYS 22 3.423 -9.132 -13.881 142 HA CYS 22 HA CYS 22 2.468 -6.701 -14.478 143 HB2 CYS 22 1HB CYS 22 4.130 -7.212 -12.682 144 HB3 CYS 22 2HB CYS 22 5.398 -7.181 -13.904 145 HA PRO 23 HA PRO 23 3.619 -6.104 -18.750 146 HB2 PRO 23 1HB PRO 23 2.372 -3.708 -19.023 147 HB3 PRO 23 2HB PRO 23 1.507 -5.249 -19.044 148 HG2 PRO 23 1HG PRO 23 1.843 -3.296 -16.800 149 HG3 PRO 23 2HG PRO 23 0.392 -4.182 -17.305 150 HD2 PRO 23 1HD PRO 23 1.915 -4.956 -15.204 151 HD3 PRO 23 2HD PRO 23 1.046 -6.114 -16.231 152 H ILE 24 H ILE 24 4.885 -4.739 -16.068 153 HA ILE 24 HA ILE 24 6.405 -2.699 -17.548 154 HB ILE 24 HB ILE 24 6.039 -3.022 -14.567 155 HG12 ILE 24 1HG1 ILE 24 5.107 -0.738 -16.299 156 HG13 ILE 24 2HG1 ILE 24 4.100 -2.151 -16.006 157 HG21 ILE 24 1HG2 ILE 24 8.203 -2.132 -14.903 158 HG22 ILE 24 2HG2 ILE 24 7.643 -1.060 -16.186 159 HG23 ILE 24 3HG2 ILE 24 7.165 -0.760 -14.515 160 HD11 ILE 24 3HD1 ILE 24 3.976 -1.691 -13.692 161 HD12 ILE 24 1HD1 ILE 24 5.243 -0.469 -13.798 162 HD13 ILE 24 2HD1 ILE 24 3.667 -0.171 -14.532 163 H CYS 25 H CYS 25 6.995 -4.871 -14.776 164 HA CYS 25 HA CYS 25 9.773 -5.149 -15.595 165 HB2 CYS 25 1HB CYS 25 10.038 -6.369 -13.462 166 HB3 CYS 25 2HB CYS 25 9.322 -4.778 -13.231 167 H LEU 26 H LEU 26 6.808 -6.876 -15.794 168 HA LEU 26 HA LEU 26 6.241 -8.853 -16.766 169 HB2 LEU 26 1HB LEU 26 9.097 -8.925 -17.725 170 HB3 LEU 26 2HB LEU 26 7.745 -9.853 -18.370 171 HG LEU 26 HG LEU 26 7.915 -6.846 -18.487 172 HD11 LEU 26 1HD1 LEU 26 8.209 -8.037 -21.038 173 HD12 LEU 26 2HD1 LEU 26 9.401 -8.765 -19.963 174 HD13 LEU 26 3HD1 LEU 26 9.350 -7.014 -20.165 175 HD21 LEU 26 3HD2 LEU 26 6.087 -6.960 -19.962 176 HD22 LEU 26 1HD2 LEU 26 5.672 -8.035 -18.626 177 HD23 LEU 26 2HD2 LEU 26 6.244 -8.707 -20.154 178 H GLU 27 H GLU 27 6.924 -8.922 -14.093 179 HA GLU 27 HA GLU 27 7.938 -11.659 -13.867 180 HB2 GLU 27 1HB GLU 27 8.974 -9.261 -12.372 181 HB3 GLU 27 2HB GLU 27 9.128 -10.887 -11.722 182 HG2 GLU 27 1HG GLU 27 10.421 -11.571 -13.646 183 HG3 GLU 27 2HG GLU 27 10.208 -9.983 -14.381 184 H LEU 28 H LEU 28 7.472 -12.585 -11.670 185 HA LEU 28 HA LEU 28 4.832 -12.683 -11.085 186 HB2 LEU 28 1HB LEU 28 7.279 -13.160 -9.479 187 HB3 LEU 28 2HB LEU 28 5.742 -13.100 -8.617 188 HG LEU 28 HG LEU 28 6.382 -14.976 -10.893 189 HD11 LEU 28 1HD1 LEU 28 6.431 -15.328 -7.910 190 HD12 LEU 28 2HD1 LEU 28 7.705 -15.675 -9.079 191 HD13 LEU 28 3HD1 LEU 28 6.260 -16.686 -9.024 192 HD21 LEU 28 3HD2 LEU 28 3.987 -14.644 -9.104 193 HD22 LEU 28 1HD2 LEU 28 4.306 -16.119 -10.017 194 HD23 LEU 28 2HD2 LEU 28 4.049 -14.594 -10.866 195 H LEU 29 H LEU 29 3.393 -11.204 -10.521 196 HA LEU 29 HA LEU 29 4.029 -8.610 -9.661 197 HB2 LEU 29 1HB LEU 29 1.456 -10.166 -9.498 198 HB3 LEU 29 2HB LEU 29 1.592 -8.452 -9.112 199 HG LEU 29 HG LEU 29 2.488 -9.373 -11.799 200 HD11 LEU 29 1HD1 LEU 29 -0.406 -8.917 -11.091 201 HD12 LEU 29 2HD1 LEU 29 0.316 -10.491 -11.424 202 HD13 LEU 29 3HD1 LEU 29 0.254 -9.265 -12.690 203 HD21 LEU 29 3HD2 LEU 29 1.936 -7.191 -12.450 204 HD22 LEU 29 1HD2 LEU 29 2.660 -7.007 -10.852 205 HD23 LEU 29 2HD2 LEU 29 0.908 -6.935 -11.039 206 H LYS 30 H LYS 30 4.903 -8.075 -7.779 207 HA LYS 30 HA LYS 30 4.415 -9.707 -5.414 208 HB2 LYS 30 1HB LYS 30 6.255 -7.339 -5.815 209 HB3 LYS 30 2HB LYS 30 6.188 -8.351 -4.378 210 HG2 LYS 30 1HG LYS 30 6.653 -9.751 -6.931 211 HG3 LYS 30 2HG LYS 30 7.953 -8.703 -6.361 212 HD2 LYS 30 1HD LYS 30 8.511 -10.686 -5.339 213 HD3 LYS 30 2HD LYS 30 7.527 -9.930 -4.083 214 HE2 LYS 30 1HE LYS 30 6.143 -11.623 -6.091 215 HE3 LYS 30 2HE LYS 30 7.137 -12.436 -4.884 216 HZ1 LYS 30 3HZ LYS 30 4.553 -11.433 -4.585 217 HZ2 LYS 30 1HZ LYS 30 5.565 -10.495 -3.605 218 HZ3 LYS 30 2HZ LYS 30 5.523 -12.175 -3.414 219 H GLU 31 H GLU 31 2.771 -9.239 -4.124 220 HA GLU 31 HA GLU 31 1.019 -8.092 -3.191 221 HB2 GLU 31 1HB GLU 31 3.279 -7.383 -2.001 222 HB3 GLU 31 2HB GLU 31 2.871 -5.811 -2.674 223 HG2 GLU 31 1HG GLU 31 1.971 -5.788 -0.526 224 HG3 GLU 31 2HG GLU 31 0.596 -6.111 -1.580 225 HA PRO 32 HA PRO 32 0.716 -5.164 -6.899 226 HB2 PRO 32 1HB PRO 32 -1.085 -6.614 -8.322 227 HB3 PRO 32 2HB PRO 32 0.662 -6.811 -8.500 228 HG2 PRO 32 1HG PRO 32 -1.278 -8.460 -6.927 229 HG3 PRO 32 2HG PRO 32 0.062 -8.991 -7.959 230 HD2 PRO 32 1HD PRO 32 0.252 -8.892 -5.260 231 HD3 PRO 32 2HD PRO 32 1.641 -8.597 -6.326 232 H VAL 33 H VAL 33 -1.101 -3.856 -7.398 233 HA VAL 33 HA VAL 33 -3.470 -4.288 -5.705 234 HB VAL 33 HB VAL 33 -3.608 -1.878 -5.282 235 HG11 VAL 33 1HG1 VAL 33 -1.925 -1.753 -3.607 236 HG12 VAL 33 2HG1 VAL 33 -2.391 -3.449 -3.742 237 HG13 VAL 33 3HG1 VAL 33 -0.888 -2.886 -4.474 238 HG21 VAL 33 3HG2 VAL 33 -1.458 -1.819 -7.239 239 HG22 VAL 33 1HG2 VAL 33 -2.548 -0.535 -6.716 240 HG23 VAL 33 2HG2 VAL 33 -1.087 -0.882 -5.792 241 H SER 34 H SER 34 -5.261 -4.385 -6.874 242 HA SER 34 HA SER 34 -5.310 -3.767 -9.646 243 HB2 SER 34 1HB SER 34 -6.739 -5.475 -8.268 244 HB3 SER 34 2HB SER 34 -7.816 -4.099 -8.029 245 HG SER 34 HG SER 34 -8.156 -5.528 -9.945 246 H ALA 35 H ALA 35 -6.808 -2.272 -10.689 247 HA ALA 35 HA ALA 35 -7.370 0.124 -9.073 248 HB1 ALA 35 3HB ALA 35 -5.319 0.404 -10.462 249 HB2 ALA 35 1HB ALA 35 -6.321 0.188 -11.897 250 HB3 ALA 35 2HB ALA 35 -6.600 1.561 -10.826 251 H ASP 36 H ASP 36 -8.654 1.705 -10.766 252 HA ASP 36 HA ASP 36 -11.227 0.689 -10.925 253 HB2 ASP 36 1HB ASP 36 -10.603 3.108 -11.001 254 HB3 ASP 36 2HB ASP 36 -10.086 2.880 -12.669 255 H CYS 37 H CYS 37 -8.636 0.609 -13.288 256 HA CYS 37 HA CYS 37 -10.379 -0.566 -15.306 257 HB2 CYS 37 1HB CYS 37 -8.241 -0.570 -16.677 258 HB3 CYS 37 2HB CYS 37 -8.845 1.012 -16.197 259 H ASN 38 H ASN 38 -10.092 -2.099 -12.970 260 HA ASN 38 HA ASN 38 -9.294 -4.103 -12.138 261 HB2 ASN 38 1HB ASN 38 -10.375 -4.544 -14.890 262 HB3 ASN 38 2HB ASN 38 -9.644 -5.905 -14.044 263 HD21 ASN 38 1HD2 ASN 38 -11.963 -6.598 -14.407 264 HD22 ASN 38 2HD2 ASN 38 -13.074 -6.257 -13.128 265 H HIS 39 H HIS 39 -7.133 -2.499 -13.023 266 HA HIS 39 HA HIS 39 -5.306 -4.549 -14.095 267 HB2 HIS 39 1HB HIS 39 -5.297 -1.552 -14.442 268 HB3 HIS 39 2HB HIS 39 -3.887 -2.548 -14.794 269 HD2 HIS 39 2HD HIS 39 -6.164 -4.880 -16.151 270 HE1 HIS 39 1HE HIS 39 -6.202 -1.870 -19.141 271 HE2 HIS 39 2HE HIS 39 -6.848 -4.235 -18.561 272 H SER 40 H SER 40 -3.751 -5.221 -12.776 273 HA SER 40 HA SER 40 -3.089 -3.552 -10.438 274 HB2 SER 40 1HB SER 40 -2.551 -5.663 -9.257 275 HB3 SER 40 2HB SER 40 -4.236 -5.603 -9.773 276 HG SER 40 HG SER 40 -3.077 -6.704 -11.765 277 H PHE 41 H PHE 41 -0.914 -3.548 -9.711 278 HA PHE 41 HA PHE 41 1.108 -4.746 -11.423 279 HB2 PHE 41 1HB PHE 41 1.357 -1.807 -10.884 280 HB3 PHE 41 2HB PHE 41 2.134 -2.777 -12.132 281 HD1 PHE 41 1HD PHE 41 -1.148 -1.406 -11.077 282 HD2 PHE 41 2HD PHE 41 1.237 -2.887 -14.276 283 HE1 PHE 41 1HE PHE 41 -2.879 -0.713 -12.683 284 HE2 PHE 41 2HE PHE 41 -0.489 -2.196 -15.888 285 HZ PHE 41 HZ PHE 41 -2.550 -1.107 -15.092 286 H CYS 42 H CYS 42 3.204 -4.786 -10.482 287 HA CYS 42 HA CYS 42 3.419 -5.451 -7.874 288 HB2 CYS 42 1HB CYS 42 5.573 -3.911 -9.331 289 HB3 CYS 42 2HB CYS 42 5.794 -5.063 -8.018 290 H ARG 43 H ARG 43 3.218 -4.474 -5.972 291 HA ARG 43 HA ARG 43 2.248 -2.046 -5.432 292 HB2 ARG 43 1HB ARG 43 2.706 -3.701 -3.692 293 HB3 ARG 43 2HB ARG 43 4.432 -3.401 -3.841 294 HG2 ARG 43 1HG ARG 43 3.869 -2.177 -1.972 295 HG3 ARG 43 2HG ARG 43 3.816 -0.960 -3.249 296 HD2 ARG 43 1HD ARG 43 1.294 -1.712 -3.389 297 HD3 ARG 43 2HD ARG 43 1.591 -2.227 -1.729 298 HE ARG 43 HE ARG 43 1.314 0.457 -2.673 299 HH11 ARG 43 1HH1 ARG 43 2.811 -1.543 -0.249 300 HH12 ARG 43 2HH1 ARG 43 2.943 -0.264 0.912 301 HH21 ARG 43 1HH2 ARG 43 1.482 2.150 -1.154 302 HH22 ARG 43 2HH2 ARG 43 2.186 1.836 0.397 303 H ALA 44 H ALA 44 5.664 -2.721 -6.041 304 HA ALA 44 HA ALA 44 6.516 -0.027 -5.596 305 HB1 ALA 44 3HB ALA 44 8.155 -1.676 -5.252 306 HB2 ALA 44 1HB ALA 44 7.839 -2.433 -6.814 307 HB3 ALA 44 2HB ALA 44 8.628 -0.857 -6.741 308 H CYS 45 H CYS 45 6.343 -2.004 -8.566 309 HA CYS 45 HA CYS 45 6.966 -0.193 -10.470 310 HB2 CYS 45 1HB CYS 45 4.862 -2.341 -10.459 311 HB3 CYS 45 2HB CYS 45 5.133 -1.349 -11.889 312 H ILE 46 H ILE 46 3.537 -0.771 -9.692 313 HA ILE 46 HA ILE 46 2.348 1.298 -10.925 314 HB ILE 46 HB ILE 46 1.109 -0.321 -9.570 315 HG12 ILE 46 1HG1 ILE 46 0.342 2.309 -8.385 316 HG13 ILE 46 2HG1 ILE 46 0.336 2.155 -10.138 317 HG21 ILE 46 1HG2 ILE 46 0.908 0.030 -7.128 318 HG22 ILE 46 2HG2 ILE 46 2.530 -0.444 -7.630 319 HG23 ILE 46 3HG2 ILE 46 2.188 1.239 -7.228 320 HD11 ILE 46 3HD1 ILE 46 -1.860 1.738 -9.101 321 HD12 ILE 46 1HD1 ILE 46 -1.255 0.363 -10.024 322 HD13 ILE 46 2HD1 ILE 46 -1.168 0.349 -8.262 323 H THR 47 H THR 47 4.198 1.512 -7.938 324 HA THR 47 HA THR 47 3.567 4.246 -7.417 325 HB THR 47 HB THR 47 5.935 2.659 -6.408 326 HG1 THR 47 1HG THR 47 3.348 3.022 -5.259 327 HG21 THR 47 3HG2 THR 47 4.668 5.257 -5.597 328 HG22 THR 47 1HG2 THR 47 6.367 4.904 -5.908 329 HG23 THR 47 2HG2 THR 47 5.593 4.293 -4.446 330 H LEU 48 H LEU 48 6.571 2.677 -8.542 331 HA LEU 48 HA LEU 48 7.999 4.994 -9.101 332 HB2 LEU 48 1HB LEU 48 8.827 2.603 -9.061 333 HB3 LEU 48 2HB LEU 48 8.192 2.452 -10.698 334 HG LEU 48 HG LEU 48 10.170 4.602 -10.048 335 HD11 LEU 48 1HD1 LEU 48 10.758 2.005 -9.470 336 HD12 LEU 48 2HD1 LEU 48 11.936 3.233 -9.931 337 HD13 LEU 48 3HD1 LEU 48 11.289 2.132 -11.147 338 HD21 LEU 48 3HD2 LEU 48 8.942 4.539 -12.218 339 HD22 LEU 48 1HD2 LEU 48 9.708 2.985 -12.549 340 HD23 LEU 48 2HD2 LEU 48 10.697 4.435 -12.377 341 H ASN 49 H ASN 49 6.085 3.003 -11.355 342 HA ASN 49 HA ASN 49 6.403 4.417 -13.671 343 HB2 ASN 49 1HB ASN 49 5.043 2.301 -13.306 344 HB3 ASN 49 2HB ASN 49 3.721 3.345 -12.791 345 HD21 ASN 49 1HD2 ASN 49 5.259 1.888 -15.394 346 HD22 ASN 49 2HD2 ASN 49 4.433 2.709 -16.670 347 H TYR 50 H TYR 50 3.978 5.059 -11.148 348 HA TYR 50 HA TYR 50 2.764 7.262 -12.360 349 HB2 TYR 50 1HB TYR 50 1.695 6.236 -10.484 350 HB3 TYR 50 2HB TYR 50 3.091 6.521 -9.451 351 HD1 TYR 50 1HD TYR 50 3.654 8.892 -8.799 352 HD2 TYR 50 2HD TYR 50 -0.009 7.854 -10.699 353 HE1 TYR 50 1HE TYR 50 2.669 11.016 -8.046 354 HE2 TYR 50 2HE TYR 50 -1.004 9.976 -9.952 355 HH TYR 50 HH TYR 50 -0.504 12.052 -9.119 356 H GLU 51 H GLU 51 5.304 7.236 -9.855 357 HA GLU 51 HA GLU 51 5.843 9.786 -9.380 358 HB2 GLU 51 1HB GLU 51 7.833 7.641 -10.104 359 HB3 GLU 51 2HB GLU 51 8.327 9.223 -9.517 360 HG2 GLU 51 1HG GLU 51 6.918 8.805 -7.487 361 HG3 GLU 51 2HG GLU 51 6.709 7.152 -8.062 362 H SER 52 H SER 52 6.642 8.182 -12.426 363 HA SER 52 HA SER 52 7.544 10.734 -13.545 364 HB2 SER 52 1HB SER 52 8.859 8.543 -13.815 365 HB3 SER 52 2HB SER 52 7.600 8.068 -14.955 366 HG SER 52 HG SER 52 8.978 9.067 -16.255 367 H ASN 53 H ASN 53 4.963 8.414 -13.720 368 HA ASN 53 HA ASN 53 3.821 9.670 -16.090 369 HB2 ASN 53 1HB ASN 53 3.244 7.181 -14.532 370 HB3 ASN 53 2HB ASN 53 1.976 7.872 -15.540 371 HD21 ASN 53 1HD2 ASN 53 5.467 7.269 -15.802 372 HD22 ASN 53 2HD2 ASN 53 5.393 6.544 -17.368 373 H ARG 54 H ARG 54 4.038 10.978 -13.387 374 HA ARG 54 HA ARG 54 1.277 11.251 -12.544 375 HB2 ARG 54 1HB ARG 54 2.079 12.386 -10.686 376 HB3 ARG 54 2HB ARG 54 3.403 11.286 -11.046 377 HG2 ARG 54 1HG ARG 54 4.747 12.983 -11.895 378 HG3 ARG 54 2HG ARG 54 3.380 14.072 -12.135 379 HD2 ARG 54 1HD ARG 54 3.985 13.160 -9.371 380 HD3 ARG 54 2HD ARG 54 5.053 14.356 -10.104 381 HE ARG 54 HE ARG 54 2.356 15.129 -10.433 382 HH11 ARG 54 1HH1 ARG 54 4.849 14.882 -8.015 383 HH12 ARG 54 2HH1 ARG 54 4.213 16.166 -7.041 384 HH21 ARG 54 1HH2 ARG 54 1.508 16.820 -9.158 385 HH22 ARG 54 2HH2 ARG 54 2.312 17.267 -7.691 386 H ASN 55 H ASN 55 0.044 13.127 -12.686 387 HA ASN 55 HA ASN 55 0.872 14.954 -14.826 388 HB2 ASN 55 1HB ASN 55 -1.867 14.422 -13.653 389 HB3 ASN 55 2HB ASN 55 -1.529 15.543 -14.969 390 HD21 ASN 55 1HD2 ASN 55 -3.329 13.522 -15.292 391 HD22 ASN 55 2HD2 ASN 55 -2.700 12.348 -16.393 392 H THR 56 H THR 56 -0.034 17.238 -14.580 393 HA THR 56 HA THR 56 1.128 18.422 -12.293 394 HB THR 56 HB THR 56 1.005 19.623 -14.415 395 HG1 THR 56 1HG THR 56 -0.644 21.178 -12.774 396 HG21 THR 56 3HG2 THR 56 -1.280 18.712 -15.013 397 HG22 THR 56 1HG2 THR 56 -1.021 20.421 -15.361 398 HG23 THR 56 2HG2 THR 56 -1.953 19.942 -13.943 399 H ASP 57 H ASP 57 -2.219 17.745 -13.199 400 HA ASP 57 HA ASP 57 -3.453 19.106 -11.065 401 HB2 ASP 57 1HB ASP 57 -4.375 16.741 -12.707 402 HB3 ASP 57 2HB ASP 57 -5.399 17.588 -11.551 403 H GLY 58 H GLY 58 -2.602 15.664 -11.436 404 HA2 GLY 58 1HA GLY 58 -1.500 14.770 -9.332 405 HA3 GLY 58 2HA GLY 58 -2.936 15.373 -8.518 406 H LYS 59 H LYS 59 -2.706 13.700 -11.631 407 HA LYS 59 HA LYS 59 -4.394 11.568 -10.497 408 HB2 LYS 59 1HB LYS 59 -4.281 12.708 -13.290 409 HB3 LYS 59 2HB LYS 59 -5.121 11.213 -12.898 410 HG2 LYS 59 1HG LYS 59 -5.802 13.591 -11.278 411 HG3 LYS 59 2HG LYS 59 -6.332 13.583 -12.962 412 HD2 LYS 59 1HD LYS 59 -8.120 12.513 -12.066 413 HD3 LYS 59 2HD LYS 59 -7.072 11.106 -12.264 414 HE2 LYS 59 1HE LYS 59 -7.816 10.902 -10.074 415 HE3 LYS 59 2HE LYS 59 -6.242 11.675 -9.888 416 HZ1 LYS 59 3HZ LYS 59 -7.331 13.182 -8.688 417 HZ2 LYS 59 1HZ LYS 59 -8.850 12.666 -9.228 418 HZ3 LYS 59 2HZ LYS 59 -7.954 13.766 -10.149 419 H GLY 60 H GLY 60 -4.219 9.496 -11.940 420 HA2 GLY 60 1HA GLY 60 -1.353 9.006 -12.473 421 HA3 GLY 60 2HA GLY 60 -2.361 7.846 -11.620 422 H ASN 61 H ASN 61 -0.898 8.271 -14.434 423 HA ASN 61 HA ASN 61 -3.090 7.384 -16.146 424 HB2 ASN 61 1HB ASN 61 -0.346 8.463 -16.616 425 HB3 ASN 61 2HB ASN 61 -1.064 7.439 -17.856 426 HD21 ASN 61 1HD2 ASN 61 -3.443 8.065 -18.305 427 HD22 ASN 61 2HD2 ASN 61 -3.721 9.753 -18.544 428 H CYS 62 H CYS 62 -3.283 5.363 -16.955 429 HA CYS 62 HA CYS 62 -1.622 3.299 -15.778 430 HB2 CYS 62 1HB CYS 62 -4.156 3.174 -15.976 431 HB3 CYS 62 2HB CYS 62 -3.916 2.911 -17.700 432 HA PRO 63 HA PRO 63 1.023 3.140 -19.351 433 HB2 PRO 63 1HB PRO 63 2.489 1.009 -18.527 434 HB3 PRO 63 2HB PRO 63 2.714 2.638 -17.879 435 HG2 PRO 63 1HG PRO 63 1.199 0.331 -16.720 436 HG3 PRO 63 2HG PRO 63 2.286 1.475 -15.912 437 HD2 PRO 63 1HD PRO 63 -0.410 1.695 -15.793 438 HD3 PRO 63 2HD PRO 63 0.666 3.107 -15.767 439 H VAL 64 H VAL 64 -1.575 1.340 -18.774 440 HA VAL 64 HA VAL 64 -0.958 -0.601 -20.907 441 HB VAL 64 HB VAL 64 -2.908 -0.933 -18.624 442 HG11 VAL 64 1HG1 VAL 64 -3.314 -1.956 -21.036 443 HG12 VAL 64 2HG1 VAL 64 -2.177 -3.166 -20.438 444 HG13 VAL 64 3HG1 VAL 64 -3.679 -2.859 -19.566 445 HG21 VAL 64 3HG2 VAL 64 -0.503 -1.150 -18.025 446 HG22 VAL 64 1HG2 VAL 64 -1.427 -2.636 -17.802 447 HG23 VAL 64 2HG2 VAL 64 -0.370 -2.456 -19.203 448 H CYS 65 H CYS 65 -3.750 0.990 -19.352 449 HA CYS 65 HA CYS 65 -5.012 1.177 -22.002 450 HB2 CYS 65 1HB CYS 65 -7.138 1.452 -20.776 451 HB3 CYS 65 2HB CYS 65 -6.335 -0.062 -20.374 452 H ARG 66 H ARG 66 -3.378 2.990 -19.725 453 HA ARG 66 HA ARG 66 -3.019 5.217 -19.431 454 HB2 ARG 66 1HB ARG 66 -4.320 5.357 -22.155 455 HB3 ARG 66 2HB ARG 66 -3.504 6.703 -21.372 456 HG2 ARG 66 1HG ARG 66 -2.128 4.095 -21.933 457 HG3 ARG 66 2HG ARG 66 -2.183 5.416 -23.102 458 HD2 ARG 66 1HD ARG 66 -1.304 6.839 -21.097 459 HD3 ARG 66 2HD ARG 66 -0.806 5.275 -20.455 460 HE ARG 66 HE ARG 66 0.346 6.687 -22.691 461 HH11 ARG 66 1HH1 ARG 66 -0.038 3.615 -21.097 462 HH12 ARG 66 2HH1 ARG 66 1.389 2.926 -21.799 463 HH21 ARG 66 1HH2 ARG 66 2.226 5.790 -23.621 464 HH22 ARG 66 2HH2 ARG 66 2.676 4.164 -23.234 465 H VAL 67 H VAL 67 -5.114 4.348 -18.011 466 HA VAL 67 HA VAL 67 -7.275 6.296 -18.444 467 HB VAL 67 HB VAL 67 -7.957 3.924 -18.283 468 HG11 VAL 67 1HG1 VAL 67 -7.705 2.651 -16.306 469 HG12 VAL 67 2HG1 VAL 67 -6.114 3.332 -16.654 470 HG13 VAL 67 3HG1 VAL 67 -7.124 4.045 -15.395 471 HG21 VAL 67 3HG2 VAL 67 -9.804 5.035 -17.663 472 HG22 VAL 67 1HG2 VAL 67 -9.410 4.477 -16.038 473 HG23 VAL 67 2HG2 VAL 67 -8.917 6.087 -16.561 474 HA PRO 68 HA PRO 68 -5.610 8.613 -15.042 475 HB2 PRO 68 1HB PRO 68 -7.654 10.389 -14.853 476 HB3 PRO 68 2HB PRO 68 -6.424 10.471 -16.120 477 HG2 PRO 68 1HG PRO 68 -9.196 9.347 -16.241 478 HG3 PRO 68 2HG PRO 68 -8.345 10.354 -17.426 479 HD2 PRO 68 1HD PRO 68 -8.584 7.671 -17.700 480 HD3 PRO 68 2HD PRO 68 -7.170 8.568 -18.288 481 H TYR 69 H TYR 69 -5.661 7.416 -13.202 482 HA TYR 69 HA TYR 69 -8.261 7.159 -11.836 483 HB2 TYR 69 1HB TYR 69 -7.412 5.129 -10.771 484 HB3 TYR 69 2HB TYR 69 -7.352 4.979 -12.524 485 HD1 TYR 69 1HD TYR 69 -5.328 5.450 -9.481 486 HD2 TYR 69 2HD TYR 69 -5.266 4.739 -13.675 487 HE1 TYR 69 1HE TYR 69 -2.941 4.874 -9.342 488 HE2 TYR 69 2HE TYR 69 -2.879 4.160 -13.547 489 HH TYR 69 HH TYR 69 -1.084 4.425 -10.507 490 HA PRO 70 HA PRO 70 -6.586 9.624 -8.596 491 HB2 PRO 70 1HB PRO 70 -8.216 8.834 -6.574 492 HB3 PRO 70 2HB PRO 70 -8.754 9.890 -7.885 493 HG2 PRO 70 1HG PRO 70 -9.144 6.941 -7.548 494 HG3 PRO 70 2HG PRO 70 -10.304 8.169 -8.090 495 HD2 PRO 70 1HD PRO 70 -8.995 6.539 -9.812 496 HD3 PRO 70 2HD PRO 70 -9.459 8.200 -10.235 497 H PHE 71 H PHE 71 -4.586 9.066 -7.937 498 HA PHE 71 HA PHE 71 -3.714 6.572 -7.095 499 HB2 PHE 71 1HB PHE 71 -2.281 8.553 -7.718 500 HB3 PHE 71 2HB PHE 71 -2.599 9.202 -6.113 501 HD1 PHE 71 1HD PHE 71 -0.863 6.618 -8.026 502 HD2 PHE 71 2HD PHE 71 -1.610 8.206 -4.148 503 HE1 PHE 71 1HE PHE 71 1.020 5.312 -7.132 504 HE2 PHE 71 2HE PHE 71 0.273 6.903 -3.248 505 HZ PHE 71 HZ PHE 71 1.591 5.454 -4.741 506 H GLY 72 H GLY 72 -4.531 5.411 -5.477 507 HA2 GLY 72 1HA GLY 72 -4.235 5.492 -2.906 508 HA3 GLY 72 2HA GLY 72 -5.404 6.798 -3.035 509 H ASN 73 H ASN 73 -6.888 5.515 -5.200 510 HA ASN 73 HA ASN 73 -8.558 3.834 -3.550 511 HB2 ASN 73 1HB ASN 73 -9.301 5.605 -5.308 512 HB3 ASN 73 2HB ASN 73 -9.020 4.319 -6.477 513 HD21 ASN 73 1HD2 ASN 73 -11.336 4.655 -6.859 514 HD22 ASN 73 2HD2 ASN 73 -12.464 3.792 -5.875 515 H LEU 74 H LEU 74 -6.141 2.600 -3.852 516 HA LEU 74 HA LEU 74 -6.623 0.488 -5.842 517 HB2 LEU 74 1HB LEU 74 -4.070 1.116 -4.372 518 HB3 LEU 74 2HB LEU 74 -4.274 -0.038 -5.688 519 HG LEU 74 HG LEU 74 -4.813 2.882 -6.106 520 HD11 LEU 74 1HD1 LEU 74 -2.373 2.709 -7.106 521 HD12 LEU 74 2HD1 LEU 74 -2.193 1.513 -5.823 522 HD13 LEU 74 3HD1 LEU 74 -2.657 3.168 -5.427 523 HD21 LEU 74 3HD2 LEU 74 -5.466 1.020 -7.738 524 HD22 LEU 74 1HD2 LEU 74 -3.736 0.863 -8.046 525 HD23 LEU 74 2HD2 LEU 74 -4.555 2.390 -8.376 526 H LYS 75 H LYS 75 -6.928 -1.578 -5.223 527 HA LYS 75 HA LYS 75 -7.038 -2.100 -2.338 528 HB2 LYS 75 1HB LYS 75 -8.328 -3.483 -4.691 529 HB3 LYS 75 2HB LYS 75 -8.388 -4.115 -3.051 530 HG2 LYS 75 1HG LYS 75 -9.385 -1.379 -3.797 531 HG3 LYS 75 2HG LYS 75 -10.404 -2.821 -3.797 532 HD2 LYS 75 1HD LYS 75 -9.538 -3.125 -1.371 533 HD3 LYS 75 2HD LYS 75 -9.104 -1.419 -1.491 534 HE2 LYS 75 1HE LYS 75 -11.249 -1.412 -0.556 535 HE3 LYS 75 2HE LYS 75 -11.512 -1.045 -2.260 536 HZ1 LYS 75 3HZ LYS 75 -12.429 -3.273 -0.722 537 HZ2 LYS 75 1HZ LYS 75 -11.638 -3.766 -2.134 538 HZ3 LYS 75 2HZ LYS 75 -12.959 -2.714 -2.228 539 HA PRO 76 HA PRO 76 -3.489 -4.704 -2.540 540 HB2 PRO 76 1HB PRO 76 -3.938 -6.186 -0.310 541 HB3 PRO 76 2HB PRO 76 -3.403 -4.503 -0.252 542 HG2 PRO 76 1HG PRO 76 -6.157 -5.626 0.082 543 HG3 PRO 76 2HG PRO 76 -5.348 -4.352 1.013 544 HD2 PRO 76 1HD PRO 76 -7.152 -3.812 -0.932 545 HD3 PRO 76 2HD PRO 76 -5.783 -2.740 -0.576 546 H ASN 77 H ASN 77 -2.990 -6.575 -3.526 547 HA ASN 77 HA ASN 77 -5.120 -8.595 -3.797 548 HB2 ASN 77 1HB ASN 77 -4.431 -7.319 -5.892 549 HB3 ASN 77 2HB ASN 77 -2.883 -8.149 -5.773 550 HD21 ASN 77 1HD2 ASN 77 -3.771 -8.760 -7.986 551 HD22 ASN 77 2HD2 ASN 77 -4.665 -10.236 -8.062 552 H LEU 78 H LEU 78 -4.621 -10.111 -2.319 553 HA LEU 78 HA LEU 78 -1.912 -11.262 -2.431 554 HB2 LEU 78 1HB LEU 78 -2.134 -11.809 -0.045 555 HB3 LEU 78 2HB LEU 78 -2.153 -10.074 -0.353 556 HG LEU 78 HG LEU 78 -4.728 -11.563 -0.031 557 HD11 LEU 78 1HD1 LEU 78 -4.446 -11.962 2.132 558 HD12 LEU 78 2HD1 LEU 78 -3.861 -10.323 2.416 559 HD13 LEU 78 3HD1 LEU 78 -2.735 -11.587 1.923 560 HD21 LEU 78 3HD2 LEU 78 -4.937 -9.135 1.186 561 HD22 LEU 78 1HD2 LEU 78 -5.379 -9.468 -0.489 562 HD23 LEU 78 2HD2 LEU 78 -3.796 -8.787 -0.114 563 H HIS 79 H HIS 79 -5.353 -11.816 -2.009 564 HA HIS 79 HA HIS 79 -4.891 -14.681 -2.523 565 HB2 HIS 79 1HB HIS 79 -5.909 -13.829 -0.229 566 HB3 HIS 79 2HB HIS 79 -7.393 -13.764 -1.175 567 HD2 HIS 79 2HD HIS 79 -7.858 -16.420 -2.516 568 HE1 HIS 79 1HE HIS 79 -6.138 -18.426 0.803 569 HE2 HIS 79 2HE HIS 79 -7.481 -18.679 -1.313 570 H VAL 80 H VAL 80 -5.136 -14.605 -4.732 571 HA VAL 80 HA VAL 80 -7.473 -13.329 -5.892 572 HB VAL 80 HB VAL 80 -6.546 -14.033 -8.055 573 HG11 VAL 80 1HG1 VAL 80 -5.824 -11.921 -7.028 574 HG12 VAL 80 2HG1 VAL 80 -4.473 -12.764 -6.267 575 HG13 VAL 80 3HG1 VAL 80 -4.558 -12.638 -8.025 576 HG21 VAL 80 3HG2 VAL 80 -4.308 -15.097 -8.118 577 HG22 VAL 80 1HG2 VAL 80 -4.410 -15.337 -6.373 578 HG23 VAL 80 2HG2 VAL 80 -5.557 -16.144 -7.443 579 H ALA 81 H ALA 81 -8.127 -15.410 -4.139 580 HA ALA 81 HA ALA 81 -9.137 -17.464 -5.999 581 HB1 ALA 81 3HB ALA 81 -7.454 -18.033 -4.036 582 HB2 ALA 81 1HB ALA 81 -8.946 -18.057 -3.095 583 HB3 ALA 81 2HB ALA 81 -8.762 -19.127 -4.486 584 H ASN 82 H ASN 82 -9.877 -16.095 -2.783 585 HA ASN 82 HA ASN 82 -12.540 -16.777 -2.646 586 HB2 ASN 82 1HB ASN 82 -12.803 -14.982 -1.034 587 HB3 ASN 82 2HB ASN 82 -11.235 -15.749 -0.799 588 HD21 ASN 82 1HD2 ASN 82 -12.457 -12.965 -0.370 589 HD22 ASN 82 2HD2 ASN 82 -11.252 -11.903 -1.007 590 H ILE 83 H ILE 83 -14.264 -14.812 -2.502 591 HA ILE 83 HA ILE 83 -15.105 -14.296 -5.070 592 HB ILE 83 HB ILE 83 -16.671 -12.735 -4.187 593 HG12 ILE 83 1HG1 ILE 83 -14.992 -11.369 -2.936 594 HG13 ILE 83 2HG1 ILE 83 -16.471 -11.672 -2.030 595 HG21 ILE 83 1HG2 ILE 83 -16.971 -14.055 -1.779 596 HG22 ILE 83 2HG2 ILE 83 -17.631 -14.556 -3.335 597 HG23 ILE 83 3HG2 ILE 83 -16.088 -15.205 -2.782 598 HD11 ILE 83 3HD1 ILE 83 -15.335 -13.450 -0.793 599 HD12 ILE 83 1HD1 ILE 83 -13.852 -13.113 -1.686 600 HD13 ILE 83 2HD1 ILE 83 -14.529 -11.892 -0.608 601 H VAL 84 H VAL 84 -14.954 -12.593 -6.502 602 HA VAL 84 HA VAL 84 -13.061 -10.443 -5.846 603 HB VAL 84 HB VAL 84 -12.099 -10.598 -8.122 604 HG11 VAL 84 1HG1 VAL 84 -11.057 -13.015 -7.623 605 HG12 VAL 84 2HG1 VAL 84 -10.611 -11.569 -6.716 606 HG13 VAL 84 3HG1 VAL 84 -11.800 -12.692 -6.057 607 HG21 VAL 84 3HG2 VAL 84 -12.561 -13.154 -8.966 608 HG22 VAL 84 1HG2 VAL 84 -14.148 -12.673 -8.366 609 HG23 VAL 84 2HG2 VAL 84 -13.350 -11.715 -9.612 610 H GLU 85 H GLU 85 -15.873 -10.291 -5.816 611 HA GLU 85 HA GLU 85 -16.270 -8.298 -7.918 612 HB2 GLU 85 1HB GLU 85 -17.975 -10.718 -7.444 613 HB3 GLU 85 2HB GLU 85 -18.703 -9.238 -8.053 614 HG2 GLU 85 1HG GLU 85 -16.401 -10.674 -9.354 615 HG3 GLU 85 2HG GLU 85 -18.092 -10.845 -9.823 Start of MODEL 20 1 H1 GLY 1 H GLY 1 20.127 11.409 -17.327 2 HA2 GLY 1 1HA GLY 1 19.493 11.592 -15.048 3 HA3 GLY 1 2HA GLY 1 18.457 12.947 -15.472 4 H SER 2 H SER 2 18.772 9.451 -15.522 5 HA SER 2 HA SER 2 15.863 9.256 -15.952 6 HB2 SER 2 1HB SER 2 17.929 7.116 -16.509 7 HB3 SER 2 2HB SER 2 16.213 7.062 -16.913 8 HG SER 2 HG SER 2 16.756 9.076 -18.163 9 H SER 3 H SER 3 14.641 8.184 -14.491 10 HA SER 3 HA SER 3 16.043 7.076 -12.149 11 HB2 SER 3 1HB SER 3 14.777 9.017 -11.507 12 HB3 SER 3 2HB SER 3 13.348 8.433 -12.361 13 HG SER 3 HG SER 3 13.028 7.914 -10.254 14 H GLY 4 H GLY 4 15.848 4.967 -11.803 15 HA2 GLY 4 1HA GLY 4 13.990 3.227 -11.512 16 HA3 GLY 4 2HA GLY 4 13.705 3.522 -13.221 17 H SER 5 H SER 5 16.598 2.975 -11.206 18 HA SER 5 HA SER 5 17.953 1.541 -13.242 19 HB2 SER 5 1HB SER 5 19.554 0.947 -11.412 20 HB3 SER 5 2HB SER 5 19.225 2.676 -11.526 21 HG SER 5 HG SER 5 17.796 2.463 -9.781 22 H SER 6 H SER 6 17.981 -0.566 -13.741 23 HA SER 6 HA SER 6 15.969 -2.300 -12.885 24 HB2 SER 6 1HB SER 6 17.308 -2.474 -15.020 25 HB3 SER 6 2HB SER 6 18.621 -3.156 -14.061 26 HG SER 6 HG SER 6 16.095 -4.297 -13.775 27 H GLY 7 H GLY 7 16.370 -4.503 -11.905 28 HA2 GLY 7 1HA GLY 7 18.011 -4.142 -9.487 29 HA3 GLY 7 2HA GLY 7 16.611 -5.197 -9.615 30 H MET 8 H MET 8 19.604 -5.522 -8.939 31 HA MET 8 HA MET 8 20.438 -7.450 -10.943 32 HB2 MET 8 1HB MET 8 22.017 -5.836 -9.802 33 HB3 MET 8 2HB MET 8 21.812 -6.788 -8.338 34 HG2 MET 8 1HG MET 8 23.853 -7.369 -9.551 35 HG3 MET 8 2HG MET 8 22.741 -8.730 -9.422 36 HE1 MET 8 3HE MET 8 21.016 -8.948 -12.658 37 HE2 MET 8 1HE MET 8 22.204 -10.165 -12.190 38 HE3 MET 8 2HE MET 8 21.188 -9.408 -10.964 39 H ALA 9 H ALA 9 18.089 -8.262 -9.800 40 HA ALA 9 HA ALA 9 18.673 -10.155 -7.678 41 HB1 ALA 9 3HB ALA 9 16.147 -10.735 -8.291 42 HB2 ALA 9 1HB ALA 9 16.586 -9.362 -7.274 43 HB3 ALA 9 2HB ALA 9 16.227 -9.115 -8.983 44 H SER 10 H SER 10 18.708 -12.361 -7.867 45 HA SER 10 HA SER 10 18.398 -13.501 -10.558 46 HB2 SER 10 1HB SER 10 20.398 -14.955 -10.074 47 HB3 SER 10 2HB SER 10 20.773 -13.245 -10.292 48 HG SER 10 HG SER 10 21.498 -14.679 -8.294 49 H SER 11 H SER 11 16.898 -15.023 -10.494 50 HA SER 11 HA SER 11 16.847 -16.893 -8.243 51 HB2 SER 11 1HB SER 11 14.348 -16.745 -8.178 52 HB3 SER 11 2HB SER 11 15.158 -15.273 -7.643 53 HG SER 11 HG SER 11 14.125 -14.272 -9.159 54 H VAL 12 H VAL 12 16.430 -18.958 -8.815 55 HA VAL 12 HA VAL 12 15.792 -19.451 -11.649 56 HB VAL 12 HB VAL 12 17.214 -21.335 -9.767 57 HG11 VAL 12 1HG1 VAL 12 17.773 -21.741 -12.536 58 HG12 VAL 12 2HG1 VAL 12 17.007 -22.839 -11.386 59 HG13 VAL 12 3HG1 VAL 12 16.026 -21.695 -12.303 60 HG21 VAL 12 3HG2 VAL 12 19.121 -20.596 -11.518 61 HG22 VAL 12 1HG2 VAL 12 18.212 -19.089 -11.398 62 HG23 VAL 12 2HG2 VAL 12 18.889 -19.828 -9.947 63 H LEU 13 H LEU 13 13.845 -19.024 -9.514 64 HA LEU 13 HA LEU 13 12.480 -21.627 -9.661 65 HB2 LEU 13 1HB LEU 13 11.468 -21.119 -7.455 66 HB3 LEU 13 2HB LEU 13 13.209 -21.387 -7.403 67 HG LEU 13 HG LEU 13 12.229 -18.584 -7.583 68 HD11 LEU 13 1HD1 LEU 13 12.221 -18.665 -5.001 69 HD12 LEU 13 2HD1 LEU 13 11.899 -20.385 -5.218 70 HD13 LEU 13 3HD1 LEU 13 10.783 -19.190 -5.878 71 HD21 LEU 13 3HD2 LEU 13 14.630 -19.160 -7.634 72 HD22 LEU 13 1HD2 LEU 13 14.466 -19.884 -6.034 73 HD23 LEU 13 2HD2 LEU 13 14.196 -18.154 -6.251 74 H GLU 14 H GLU 14 11.529 -20.664 -11.597 75 HA GLU 14 HA GLU 14 9.510 -18.607 -11.025 76 HB2 GLU 14 1HB GLU 14 11.277 -18.478 -12.968 77 HB3 GLU 14 2HB GLU 14 10.149 -19.544 -13.794 78 HG2 GLU 14 1HG GLU 14 9.132 -17.040 -12.544 79 HG3 GLU 14 2HG GLU 14 9.996 -16.956 -14.078 80 H MET 15 H MET 15 7.505 -19.277 -10.696 81 HA MET 15 HA MET 15 6.703 -21.961 -11.376 82 HB2 MET 15 1HB MET 15 5.320 -19.666 -9.998 83 HB3 MET 15 2HB MET 15 4.487 -21.169 -10.375 84 HG2 MET 15 1HG MET 15 5.667 -22.376 -8.831 85 HG3 MET 15 2HG MET 15 7.058 -21.295 -8.888 86 HE1 MET 15 3HE MET 15 4.962 -21.711 -5.395 87 HE2 MET 15 1HE MET 15 3.697 -21.976 -6.596 88 HE3 MET 15 2HE MET 15 5.255 -22.786 -6.763 89 H ILE 16 H ILE 16 4.340 -22.143 -12.278 90 HA ILE 16 HA ILE 16 4.415 -20.935 -14.909 91 HB ILE 16 HB ILE 16 2.538 -22.965 -13.698 92 HG12 ILE 16 1HG1 ILE 16 4.505 -23.384 -15.938 93 HG13 ILE 16 2HG1 ILE 16 4.991 -23.539 -14.254 94 HG21 ILE 16 1HG2 ILE 16 1.515 -23.220 -15.828 95 HG22 ILE 16 2HG2 ILE 16 1.491 -21.499 -15.446 96 HG23 ILE 16 3HG2 ILE 16 2.677 -22.133 -16.587 97 HD11 ILE 16 3HD1 ILE 16 4.365 -25.658 -14.400 98 HD12 ILE 16 1HD1 ILE 16 2.701 -25.075 -14.433 99 HD13 ILE 16 2HD1 ILE 16 3.556 -25.387 -15.944 100 H LYS 17 H LYS 17 3.729 -18.876 -14.964 101 HA LYS 17 HA LYS 17 1.509 -17.976 -13.347 102 HB2 LYS 17 1HB LYS 17 3.646 -16.654 -14.065 103 HB3 LYS 17 2HB LYS 17 2.746 -16.355 -15.546 104 HG2 LYS 17 1HG LYS 17 2.328 -14.494 -14.199 105 HG3 LYS 17 2HG LYS 17 0.879 -15.491 -14.048 106 HD2 LYS 17 1HD LYS 17 2.956 -16.089 -12.071 107 HD3 LYS 17 2HD LYS 17 2.303 -14.453 -11.959 108 HE2 LYS 17 1HE LYS 17 0.167 -15.197 -11.488 109 HE3 LYS 17 2HE LYS 17 0.442 -16.773 -12.230 110 HZ1 LYS 17 3HZ LYS 17 1.407 -17.588 -10.363 111 HZ2 LYS 17 1HZ LYS 17 0.396 -16.448 -9.630 112 HZ3 LYS 17 2HZ LYS 17 2.031 -16.094 -9.875 113 H GLU 18 H GLU 18 -0.526 -17.452 -14.035 114 HA GLU 18 HA GLU 18 -1.437 -18.719 -16.446 115 HB2 GLU 18 1HB GLU 18 -2.747 -17.256 -14.187 116 HB3 GLU 18 2HB GLU 18 -3.648 -17.538 -15.670 117 HG2 GLU 18 1HG GLU 18 -3.267 -19.943 -15.440 118 HG3 GLU 18 2HG GLU 18 -2.382 -19.654 -13.944 119 H GLU 19 H GLU 19 0.377 -16.813 -17.175 120 HA GLU 19 HA GLU 19 0.711 -15.029 -18.550 121 HB2 GLU 19 1HB GLU 19 -1.960 -16.081 -19.321 122 HB3 GLU 19 2HB GLU 19 -1.505 -14.505 -19.954 123 HG2 GLU 19 1HG GLU 19 0.709 -15.765 -20.594 124 HG3 GLU 19 2HG GLU 19 -0.337 -17.181 -20.503 125 H VAL 20 H VAL 20 0.285 -14.231 -16.017 126 HA VAL 20 HA VAL 20 -1.229 -11.740 -16.383 127 HB VAL 20 HB VAL 20 -1.934 -11.873 -13.984 128 HG11 VAL 20 1HG1 VAL 20 -3.007 -13.239 -16.259 129 HG12 VAL 20 2HG1 VAL 20 -3.395 -14.137 -14.790 130 HG13 VAL 20 3HG1 VAL 20 -3.857 -12.441 -14.937 131 HG21 VAL 20 3HG2 VAL 20 -0.146 -13.824 -13.688 132 HG22 VAL 20 1HG2 VAL 20 -1.577 -13.691 -12.665 133 HG23 VAL 20 2HG2 VAL 20 -1.566 -14.815 -14.024 134 H THR 21 H THR 21 1.654 -12.509 -16.451 135 HA THR 21 HA THR 21 2.948 -11.592 -14.115 136 HB THR 21 HB THR 21 4.068 -11.471 -16.917 137 HG1 THR 21 1HG THR 21 3.899 -13.647 -15.087 138 HG21 THR 21 3HG2 THR 21 6.214 -11.814 -15.768 139 HG22 THR 21 1HG2 THR 21 5.381 -11.783 -14.215 140 HG23 THR 21 2HG2 THR 21 5.414 -10.339 -15.226 141 H CYS 22 H CYS 22 4.218 -9.625 -13.882 142 HA CYS 22 HA CYS 22 2.708 -7.302 -14.279 143 HB2 CYS 22 1HB CYS 22 4.469 -7.626 -12.527 144 HB3 CYS 22 2HB CYS 22 5.688 -7.448 -13.785 145 HA PRO 23 HA PRO 23 3.659 -6.559 -18.567 146 HB2 PRO 23 1HB PRO 23 2.258 -4.242 -18.761 147 HB3 PRO 23 2HB PRO 23 1.488 -5.832 -18.761 148 HG2 PRO 23 1HG PRO 23 1.802 -3.880 -16.513 149 HG3 PRO 23 2HG PRO 23 0.387 -4.849 -16.964 150 HD2 PRO 23 1HD PRO 23 2.044 -5.546 -14.939 151 HD3 PRO 23 2HD PRO 23 1.202 -6.746 -15.940 152 H ILE 24 H ILE 24 4.958 -5.143 -15.928 153 HA ILE 24 HA ILE 24 6.357 -3.078 -17.497 154 HB ILE 24 HB ILE 24 5.887 -3.195 -14.516 155 HG12 ILE 24 1HG1 ILE 24 5.027 -0.938 -16.271 156 HG13 ILE 24 2HG1 ILE 24 4.082 -2.423 -16.301 157 HG21 ILE 24 1HG2 ILE 24 8.027 -2.260 -14.770 158 HG22 ILE 24 2HG2 ILE 24 7.550 -1.349 -16.202 159 HG23 ILE 24 3HG2 ILE 24 6.940 -0.880 -14.615 160 HD11 ILE 24 3HD1 ILE 24 4.135 -0.313 -14.345 161 HD12 ILE 24 1HD1 ILE 24 2.984 -1.632 -14.551 162 HD13 ILE 24 2HD1 ILE 24 4.452 -1.882 -13.605 163 H CYS 25 H CYS 25 6.947 -5.053 -14.580 164 HA CYS 25 HA CYS 25 9.770 -5.206 -15.246 165 HB2 CYS 25 1HB CYS 25 10.058 -6.202 -13.068 166 HB3 CYS 25 2HB CYS 25 9.000 -4.804 -12.907 167 H LEU 26 H LEU 26 6.922 -7.142 -15.479 168 HA LEU 26 HA LEU 26 6.525 -9.173 -16.423 169 HB2 LEU 26 1HB LEU 26 9.411 -9.072 -17.282 170 HB3 LEU 26 2HB LEU 26 8.153 -10.116 -17.941 171 HG LEU 26 HG LEU 26 8.057 -7.113 -18.142 172 HD11 LEU 26 1HD1 LEU 26 10.068 -7.795 -19.257 173 HD12 LEU 26 2HD1 LEU 26 8.841 -7.441 -20.474 174 HD13 LEU 26 3HD1 LEU 26 9.224 -9.114 -20.069 175 HD21 LEU 26 3HD2 LEU 26 6.356 -7.447 -19.719 176 HD22 LEU 26 1HD2 LEU 26 5.978 -8.568 -18.411 177 HD23 LEU 26 2HD2 LEU 26 6.731 -9.162 -19.891 178 H GLU 27 H GLU 27 7.057 -9.157 -13.741 179 HA GLU 27 HA GLU 27 8.233 -11.807 -13.390 180 HB2 GLU 27 1HB GLU 27 9.184 -9.292 -12.067 181 HB3 GLU 27 2HB GLU 27 9.281 -10.821 -11.204 182 HG2 GLU 27 1HG GLU 27 10.566 -11.739 -13.138 183 HG3 GLU 27 2HG GLU 27 10.601 -10.109 -13.809 184 H LEU 28 H LEU 28 7.772 -12.670 -11.164 185 HA LEU 28 HA LEU 28 5.136 -12.891 -10.621 186 HB2 LEU 28 1HB LEU 28 7.567 -13.135 -8.938 187 HB3 LEU 28 2HB LEU 28 6.007 -13.130 -8.117 188 HG LEU 28 HG LEU 28 6.866 -15.400 -8.550 189 HD11 LEU 28 1HD1 LEU 28 4.289 -14.391 -9.591 190 HD12 LEU 28 2HD1 LEU 28 4.621 -15.576 -8.329 191 HD13 LEU 28 3HD1 LEU 28 4.736 -16.041 -10.026 192 HD21 LEU 28 3HD2 LEU 28 6.758 -16.220 -10.915 193 HD22 LEU 28 1HD2 LEU 28 8.079 -15.101 -10.578 194 HD23 LEU 28 2HD2 LEU 28 6.640 -14.536 -11.428 195 H LEU 29 H LEU 29 3.615 -11.437 -10.224 196 HA LEU 29 HA LEU 29 4.101 -8.788 -9.427 197 HB2 LEU 29 1HB LEU 29 1.583 -10.439 -9.374 198 HB3 LEU 29 2HB LEU 29 1.629 -8.710 -9.036 199 HG LEU 29 HG LEU 29 2.702 -9.716 -11.634 200 HD11 LEU 29 1HD1 LEU 29 0.600 -10.832 -11.563 201 HD12 LEU 29 2HD1 LEU 29 0.410 -9.408 -12.585 202 HD13 LEU 29 3HD1 LEU 29 -0.209 -9.396 -10.934 203 HD21 LEU 29 3HD2 LEU 29 2.492 -7.562 -12.307 204 HD22 LEU 29 1HD2 LEU 29 2.628 -7.266 -10.573 205 HD23 LEU 29 2HD2 LEU 29 1.041 -7.285 -11.342 206 H LYS 30 H LYS 30 4.844 -8.166 -7.515 207 HA LYS 30 HA LYS 30 4.195 -9.717 -5.124 208 HB2 LYS 30 1HB LYS 30 6.037 -8.712 -4.088 209 HB3 LYS 30 2HB LYS 30 6.564 -8.932 -5.751 210 HG2 LYS 30 1HG LYS 30 6.408 -6.666 -6.234 211 HG3 LYS 30 2HG LYS 30 5.341 -6.350 -4.864 212 HD2 LYS 30 1HD LYS 30 7.264 -5.549 -3.963 213 HD3 LYS 30 2HD LYS 30 7.481 -7.248 -3.535 214 HE2 LYS 30 1HE LYS 30 8.934 -7.613 -5.377 215 HE3 LYS 30 2HE LYS 30 8.531 -6.052 -6.089 216 HZ1 LYS 30 3HZ LYS 30 9.630 -4.948 -4.268 217 HZ2 LYS 30 1HZ LYS 30 10.699 -6.046 -4.984 218 HZ3 LYS 30 2HZ LYS 30 9.958 -6.425 -3.512 219 H GLU 31 H GLU 31 3.011 -8.952 -3.439 220 HA GLU 31 HA GLU 31 1.126 -7.784 -2.714 221 HB2 GLU 31 1HB GLU 31 3.428 -5.835 -2.541 222 HB3 GLU 31 2HB GLU 31 1.893 -5.620 -1.712 223 HG2 GLU 31 1HG GLU 31 3.418 -6.515 -0.143 224 HG3 GLU 31 2HG GLU 31 2.298 -7.807 -0.572 225 HA PRO 32 HA PRO 32 0.602 -5.341 -6.726 226 HB2 PRO 32 1HB PRO 32 -1.300 -6.936 -7.825 227 HB3 PRO 32 2HB PRO 32 0.430 -7.185 -8.086 228 HG2 PRO 32 1HG PRO 32 -1.417 -8.578 -6.187 229 HG3 PRO 32 2HG PRO 32 -0.152 -9.264 -7.222 230 HD2 PRO 32 1HD PRO 32 0.215 -8.810 -4.578 231 HD3 PRO 32 2HD PRO 32 1.533 -8.683 -5.760 232 H VAL 33 H VAL 33 -1.370 -4.247 -7.418 233 HA VAL 33 HA VAL 33 -3.571 -4.349 -5.476 234 HB VAL 33 HB VAL 33 -3.696 -1.903 -5.411 235 HG11 VAL 33 1HG1 VAL 33 -2.305 -1.799 -3.655 236 HG12 VAL 33 2HG1 VAL 33 -1.978 -3.495 -4.016 237 HG13 VAL 33 3HG1 VAL 33 -0.897 -2.240 -4.621 238 HG21 VAL 33 3HG2 VAL 33 -2.762 -1.219 -7.463 239 HG22 VAL 33 1HG2 VAL 33 -1.647 -0.638 -6.226 240 HG23 VAL 33 2HG2 VAL 33 -1.255 -2.083 -7.157 241 H SER 34 H SER 34 -5.499 -4.429 -6.423 242 HA SER 34 HA SER 34 -5.744 -4.371 -9.259 243 HB2 SER 34 1HB SER 34 -8.203 -4.637 -8.771 244 HB3 SER 34 2HB SER 34 -7.172 -5.857 -8.024 245 HG SER 34 HG SER 34 -8.171 -3.529 -6.739 246 H ALA 35 H ALA 35 -6.994 -2.947 -10.542 247 HA ALA 35 HA ALA 35 -7.521 -0.312 -9.342 248 HB1 ALA 35 3HB ALA 35 -5.397 -0.232 -10.565 249 HB2 ALA 35 1HB ALA 35 -6.223 -0.779 -12.024 250 HB3 ALA 35 2HB ALA 35 -6.625 0.786 -11.316 251 H ASP 36 H ASP 36 -8.810 1.079 -10.989 252 HA ASP 36 HA ASP 36 -11.319 -0.031 -11.337 253 HB2 ASP 36 1HB ASP 36 -9.950 2.365 -12.500 254 HB3 ASP 36 2HB ASP 36 -11.537 1.901 -13.107 255 H CYS 37 H CYS 37 -8.611 0.105 -13.583 256 HA CYS 37 HA CYS 37 -10.152 -1.087 -15.727 257 HB2 CYS 37 1HB CYS 37 -7.959 -1.044 -16.944 258 HB3 CYS 37 2HB CYS 37 -8.502 0.532 -16.376 259 H ASN 38 H ASN 38 -10.034 -2.650 -13.366 260 HA ASN 38 HA ASN 38 -9.299 -4.671 -12.513 261 HB2 ASN 38 1HB ASN 38 -11.082 -5.142 -14.220 262 HB3 ASN 38 2HB ASN 38 -9.803 -5.470 -15.386 263 HD21 ASN 38 1HD2 ASN 38 -11.156 -6.476 -12.299 264 HD22 ASN 38 2HD2 ASN 38 -10.619 -8.116 -12.391 265 H HIS 39 H HIS 39 -7.056 -3.167 -13.112 266 HA HIS 39 HA HIS 39 -5.218 -5.227 -14.139 267 HB2 HIS 39 1HB HIS 39 -5.096 -2.234 -14.533 268 HB3 HIS 39 2HB HIS 39 -3.744 -3.311 -14.869 269 HD2 HIS 39 2HD HIS 39 -6.175 -5.506 -16.214 270 HE1 HIS 39 1HE HIS 39 -5.967 -2.543 -19.242 271 HE2 HIS 39 2HE HIS 39 -6.789 -4.846 -18.638 272 H SER 40 H SER 40 -3.609 -5.803 -12.816 273 HA SER 40 HA SER 40 -3.124 -4.132 -10.436 274 HB2 SER 40 1HB SER 40 -3.065 -7.144 -10.714 275 HB3 SER 40 2HB SER 40 -2.486 -6.278 -9.291 276 HG SER 40 HG SER 40 -5.123 -6.209 -10.343 277 H PHE 41 H PHE 41 -1.017 -3.830 -9.752 278 HA PHE 41 HA PHE 41 1.143 -5.036 -11.299 279 HB2 PHE 41 1HB PHE 41 1.240 -2.072 -10.884 280 HB3 PHE 41 2HB PHE 41 2.063 -3.057 -12.089 281 HD1 PHE 41 1HD PHE 41 -1.220 -1.654 -11.126 282 HD2 PHE 41 2HD PHE 41 1.129 -3.403 -14.215 283 HE1 PHE 41 1HE PHE 41 -2.964 -1.090 -12.768 284 HE2 PHE 41 2HE PHE 41 -0.610 -2.841 -15.861 285 HZ PHE 41 HZ PHE 41 -2.660 -1.682 -15.139 286 H CYS 42 H CYS 42 3.232 -4.814 -10.304 287 HA CYS 42 HA CYS 42 3.318 -5.325 -7.609 288 HB2 CYS 42 1HB CYS 42 5.555 -3.937 -9.086 289 HB3 CYS 42 2HB CYS 42 5.687 -5.042 -7.722 290 H ARG 43 H ARG 43 2.960 -4.152 -5.854 291 HA ARG 43 HA ARG 43 2.057 -1.656 -5.616 292 HB2 ARG 43 1HB ARG 43 2.734 -3.440 -3.795 293 HB3 ARG 43 2HB ARG 43 4.164 -2.428 -3.642 294 HG2 ARG 43 1HG ARG 43 2.958 -0.616 -2.852 295 HG3 ARG 43 2HG ARG 43 1.436 -1.215 -3.514 296 HD2 ARG 43 1HD ARG 43 1.082 -2.648 -1.772 297 HD3 ARG 43 2HD ARG 43 2.804 -2.870 -1.464 298 HE ARG 43 HE ARG 43 2.698 -1.163 0.043 299 HH11 ARG 43 1HH1 ARG 43 -0.036 -0.927 -2.099 300 HH12 ARG 43 2HH1 ARG 43 -0.772 0.376 -1.227 301 HH21 ARG 43 1HH2 ARG 43 1.739 0.554 1.199 302 HH22 ARG 43 2HH2 ARG 43 0.239 1.219 0.648 303 H ALA 44 H ALA 44 5.483 -2.486 -5.907 304 HA ALA 44 HA ALA 44 6.405 0.206 -5.662 305 HB1 ALA 44 3HB ALA 44 7.954 -1.996 -6.982 306 HB2 ALA 44 1HB ALA 44 8.549 -0.633 -6.034 307 HB3 ALA 44 2HB ALA 44 7.709 -1.963 -5.236 308 H CYS 45 H CYS 45 6.427 -2.016 -8.459 309 HA CYS 45 HA CYS 45 7.193 -0.377 -10.458 310 HB2 CYS 45 1HB CYS 45 5.031 -2.477 -10.450 311 HB3 CYS 45 2HB CYS 45 5.511 -1.646 -11.926 312 H ILE 46 H ILE 46 3.731 -0.819 -9.707 313 HA ILE 46 HA ILE 46 2.655 1.144 -11.255 314 HB ILE 46 HB ILE 46 1.410 -0.452 -9.741 315 HG12 ILE 46 1HG1 ILE 46 0.403 2.373 -9.461 316 HG13 ILE 46 2HG1 ILE 46 0.457 1.567 -11.025 317 HG21 ILE 46 1HG2 ILE 46 1.201 -0.120 -7.505 318 HG22 ILE 46 2HG2 ILE 46 2.790 0.611 -7.726 319 HG23 ILE 46 3HG2 ILE 46 1.355 1.632 -7.638 320 HD11 ILE 46 3HD1 ILE 46 -0.805 -0.092 -9.032 321 HD12 ILE 46 1HD1 ILE 46 -1.596 1.477 -9.171 322 HD13 ILE 46 2HD1 ILE 46 -1.408 0.454 -10.596 323 H THR 47 H THR 47 4.365 1.544 -8.221 324 HA THR 47 HA THR 47 3.690 4.302 -7.879 325 HB THR 47 HB THR 47 6.004 2.778 -6.665 326 HG1 THR 47 1HG THR 47 4.557 1.881 -5.418 327 HG21 THR 47 3HG2 THR 47 4.586 5.222 -5.613 328 HG22 THR 47 1HG2 THR 47 6.065 5.298 -6.569 329 HG23 THR 47 2HG2 THR 47 6.068 4.485 -5.004 330 H LEU 48 H LEU 48 6.765 2.695 -8.728 331 HA LEU 48 HA LEU 48 8.260 4.923 -9.329 332 HB2 LEU 48 1HB LEU 48 9.787 3.499 -10.200 333 HB3 LEU 48 2HB LEU 48 8.760 2.320 -9.387 334 HG LEU 48 HG LEU 48 7.579 2.080 -11.656 335 HD11 LEU 48 1HD1 LEU 48 9.220 4.164 -12.353 336 HD12 LEU 48 2HD1 LEU 48 8.378 3.095 -13.475 337 HD13 LEU 48 3HD1 LEU 48 10.053 2.766 -13.033 338 HD21 LEU 48 3HD2 LEU 48 9.823 0.829 -10.501 339 HD22 LEU 48 1HD2 LEU 48 10.148 0.967 -12.229 340 HD23 LEU 48 2HD2 LEU 48 8.684 0.157 -11.669 341 H ASN 49 H ASN 49 5.952 3.219 -11.386 342 HA ASN 49 HA ASN 49 6.497 4.699 -13.744 343 HB2 ASN 49 1HB ASN 49 5.224 2.442 -13.431 344 HB3 ASN 49 2HB ASN 49 3.817 3.470 -13.180 345 HD21 ASN 49 1HD2 ASN 49 6.135 2.288 -15.447 346 HD22 ASN 49 2HD2 ASN 49 5.379 2.914 -16.869 347 H TYR 50 H TYR 50 3.929 4.961 -11.295 348 HA TYR 50 HA TYR 50 2.578 7.135 -12.405 349 HB2 TYR 50 1HB TYR 50 1.386 6.139 -10.699 350 HB3 TYR 50 2HB TYR 50 2.797 5.982 -9.659 351 HD1 TYR 50 2HD TYR 50 0.269 8.363 -10.928 352 HD2 TYR 50 1HD TYR 50 3.342 7.660 -8.071 353 HE1 TYR 50 2HE TYR 50 -0.424 10.376 -9.695 354 HE2 TYR 50 1HE TYR 50 2.657 9.670 -6.830 355 HH TYR 50 HH TYR 50 -0.092 11.071 -6.974 356 H GLU 51 H GLU 51 5.087 7.126 -9.874 357 HA GLU 51 HA GLU 51 5.325 9.770 -9.315 358 HB2 GLU 51 1HB GLU 51 7.490 7.703 -9.673 359 HB3 GLU 51 2HB GLU 51 7.827 9.325 -9.083 360 HG2 GLU 51 1HG GLU 51 5.736 7.672 -7.746 361 HG3 GLU 51 2HG GLU 51 7.441 7.375 -7.411 362 H SER 52 H SER 52 7.198 8.168 -11.898 363 HA SER 52 HA SER 52 8.385 10.380 -13.009 364 HB2 SER 52 1HB SER 52 8.924 8.113 -13.731 365 HB3 SER 52 2HB SER 52 7.325 7.938 -14.452 366 HG SER 52 HG SER 52 7.907 9.719 -15.839 367 H ASN 53 H ASN 53 5.280 8.949 -14.027 368 HA ASN 53 HA ASN 53 4.602 11.533 -15.267 369 HB2 ASN 53 1HB ASN 53 2.918 10.142 -16.580 370 HB3 ASN 53 2HB ASN 53 4.616 9.881 -16.969 371 HD21 ASN 53 1HD2 ASN 53 5.460 7.900 -16.758 372 HD22 ASN 53 2HD2 ASN 53 4.608 6.528 -16.143 373 H ARG 54 H ARG 54 3.378 12.680 -13.915 374 HA ARG 54 HA ARG 54 0.854 11.617 -13.032 375 HB2 ARG 54 1HB ARG 54 1.159 11.863 -10.682 376 HB3 ARG 54 2HB ARG 54 2.496 10.883 -11.268 377 HG2 ARG 54 1HG ARG 54 3.990 12.762 -11.164 378 HG3 ARG 54 2HG ARG 54 2.660 13.841 -10.741 379 HD2 ARG 54 1HD ARG 54 2.419 12.896 -8.613 380 HD3 ARG 54 2HD ARG 54 3.334 11.455 -9.055 381 HE ARG 54 HE ARG 54 5.249 12.557 -8.486 382 HH11 ARG 54 1HH1 ARG 54 2.721 14.896 -8.997 383 HH12 ARG 54 2HH1 ARG 54 3.676 16.238 -8.462 384 HH21 ARG 54 1HH2 ARG 54 6.516 14.317 -7.779 385 HH22 ARG 54 2HH2 ARG 54 5.835 15.908 -7.770 386 H ASN 55 H ASN 55 -0.614 13.229 -12.390 387 HA ASN 55 HA ASN 55 0.189 15.926 -13.204 388 HB2 ASN 55 1HB ASN 55 -2.419 14.462 -13.096 389 HB3 ASN 55 2HB ASN 55 -2.424 16.221 -13.017 390 HD21 ASN 55 1HD2 ASN 55 -3.701 15.229 -15.068 391 HD22 ASN 55 2HD2 ASN 55 -2.800 15.372 -16.535 392 H THR 56 H THR 56 -0.663 17.769 -11.984 393 HA THR 56 HA THR 56 0.091 17.786 -9.336 394 HB THR 56 HB THR 56 -1.115 19.902 -9.098 395 HG1 THR 56 1HG THR 56 -2.296 20.556 -11.122 396 HG21 THR 56 3HG2 THR 56 0.664 20.699 -10.185 397 HG22 THR 56 1HG2 THR 56 -0.299 20.650 -11.661 398 HG23 THR 56 2HG2 THR 56 0.731 19.283 -11.235 399 H ASP 57 H ASP 57 -3.154 17.306 -10.679 400 HA ASP 57 HA ASP 57 -4.658 17.306 -8.370 401 HB2 ASP 57 1HB ASP 57 -4.911 15.786 -10.948 402 HB3 ASP 57 2HB ASP 57 -6.060 15.519 -9.640 403 H GLY 58 H GLY 58 -3.034 14.503 -9.863 404 HA2 GLY 58 1HA GLY 58 -1.783 13.103 -8.191 405 HA3 GLY 58 2HA GLY 58 -3.274 13.125 -7.260 406 H LYS 59 H LYS 59 -2.917 12.745 -10.757 407 HA LYS 59 HA LYS 59 -4.097 10.056 -10.491 408 HB2 LYS 59 1HB LYS 59 -4.552 12.242 -12.495 409 HB3 LYS 59 2HB LYS 59 -4.836 10.565 -12.942 410 HG2 LYS 59 1HG LYS 59 -6.240 10.586 -10.701 411 HG3 LYS 59 2HG LYS 59 -6.324 12.311 -11.063 412 HD2 LYS 59 1HD LYS 59 -7.525 11.982 -13.000 413 HD3 LYS 59 2HD LYS 59 -6.907 10.345 -13.230 414 HE2 LYS 59 1HE LYS 59 -8.315 9.490 -11.509 415 HE3 LYS 59 2HE LYS 59 -8.774 11.113 -10.995 416 HZ1 LYS 59 3HZ LYS 59 -10.098 9.514 -12.802 417 HZ2 LYS 59 1HZ LYS 59 -9.365 10.714 -13.743 418 HZ3 LYS 59 2HZ LYS 59 -10.402 11.147 -12.479 419 H GLY 60 H GLY 60 -3.351 8.408 -11.864 420 HA2 GLY 60 1HA GLY 60 -0.812 9.014 -13.249 421 HA3 GLY 60 2HA GLY 60 -1.011 7.580 -12.253 422 H ASN 61 H ASN 61 -0.320 7.826 -15.099 423 HA ASN 61 HA ASN 61 -2.653 6.792 -16.489 424 HB2 ASN 61 1HB ASN 61 0.178 7.255 -17.457 425 HB3 ASN 61 2HB ASN 61 -1.180 6.782 -18.473 426 HD21 ASN 61 1HD2 ASN 61 0.423 9.346 -16.873 427 HD22 ASN 61 2HD2 ASN 61 -0.604 10.625 -17.413 428 H CYS 62 H CYS 62 -2.932 4.716 -17.184 429 HA CYS 62 HA CYS 62 -1.444 2.679 -15.797 430 HB2 CYS 62 1HB CYS 62 -3.916 2.571 -16.159 431 HB3 CYS 62 2HB CYS 62 -3.612 2.347 -17.879 432 HA PRO 63 HA PRO 63 1.530 2.058 -19.025 433 HB2 PRO 63 1HB PRO 63 2.621 -0.217 -18.021 434 HB3 PRO 63 2HB PRO 63 2.958 1.386 -17.355 435 HG2 PRO 63 1HG PRO 63 1.049 -0.705 -16.384 436 HG3 PRO 63 2HG PRO 63 2.159 0.316 -15.452 437 HD2 PRO 63 1HD PRO 63 -0.486 0.856 -15.665 438 HD3 PRO 63 2HD PRO 63 0.740 2.131 -15.512 439 H VAL 64 H VAL 64 -1.302 0.511 -18.686 440 HA VAL 64 HA VAL 64 -0.687 -1.429 -20.820 441 HB VAL 64 HB VAL 64 -2.731 -1.703 -18.613 442 HG11 VAL 64 1HG1 VAL 64 -3.673 -2.590 -20.630 443 HG12 VAL 64 2HG1 VAL 64 -2.178 -3.448 -21.008 444 HG13 VAL 64 3HG1 VAL 64 -3.154 -3.940 -19.623 445 HG21 VAL 64 3HG2 VAL 64 -0.304 -3.382 -19.238 446 HG22 VAL 64 1HG2 VAL 64 -0.388 -2.162 -17.967 447 HG23 VAL 64 2HG2 VAL 64 -1.415 -3.593 -17.884 448 H CYS 65 H CYS 65 -3.516 0.181 -19.352 449 HA CYS 65 HA CYS 65 -4.626 0.531 -22.046 450 HB2 CYS 65 1HB CYS 65 -6.769 0.971 -20.874 451 HB3 CYS 65 2HB CYS 65 -6.104 -0.616 -20.504 452 H ARG 66 H ARG 66 -2.978 2.220 -19.673 453 HA ARG 66 HA ARG 66 -2.537 4.420 -19.290 454 HB2 ARG 66 1HB ARG 66 -3.381 4.497 -22.183 455 HB3 ARG 66 2HB ARG 66 -2.799 5.923 -21.335 456 HG2 ARG 66 1HG ARG 66 -0.914 5.116 -22.420 457 HG3 ARG 66 2HG ARG 66 -0.737 4.506 -20.774 458 HD2 ARG 66 1HD ARG 66 -0.208 2.776 -22.405 459 HD3 ARG 66 2HD ARG 66 -1.643 2.347 -21.474 460 HE ARG 66 HE ARG 66 -2.918 2.529 -23.389 461 HH11 ARG 66 1HH1 ARG 66 0.299 3.726 -23.969 462 HH12 ARG 66 2HH1 ARG 66 0.099 3.810 -25.688 463 HH21 ARG 66 1HH2 ARG 66 -3.194 2.634 -25.650 464 HH22 ARG 66 2HH2 ARG 66 -1.889 3.189 -26.643 465 H VAL 67 H VAL 67 -4.798 3.793 -18.087 466 HA VAL 67 HA VAL 67 -6.758 5.862 -18.824 467 HB VAL 67 HB VAL 67 -7.550 3.475 -18.678 468 HG11 VAL 67 1HG1 VAL 67 -6.234 2.726 -16.798 469 HG12 VAL 67 2HG1 VAL 67 -7.007 3.910 -15.743 470 HG13 VAL 67 3HG1 VAL 67 -7.947 2.575 -16.410 471 HG21 VAL 67 3HG2 VAL 67 -9.592 4.047 -17.404 472 HG22 VAL 67 1HG2 VAL 67 -8.789 5.506 -16.824 473 HG23 VAL 67 2HG2 VAL 67 -9.120 5.307 -18.545 474 HA PRO 68 HA PRO 68 -5.537 8.179 -15.268 475 HB2 PRO 68 1HB PRO 68 -7.709 9.800 -15.117 476 HB3 PRO 68 2HB PRO 68 -6.448 9.996 -16.340 477 HG2 PRO 68 1HG PRO 68 -9.127 8.679 -16.575 478 HG3 PRO 68 2HG PRO 68 -8.312 9.769 -17.712 479 HD2 PRO 68 1HD PRO 68 -8.349 7.081 -18.041 480 HD3 PRO 68 2HD PRO 68 -6.985 8.089 -18.565 481 H TYR 69 H TYR 69 -5.563 6.926 -13.462 482 HA TYR 69 HA TYR 69 -8.181 6.413 -12.211 483 HB2 TYR 69 1HB TYR 69 -7.139 4.501 -11.080 484 HB3 TYR 69 2HB TYR 69 -7.006 4.351 -12.829 485 HD1 TYR 69 1HD TYR 69 -5.127 5.221 -9.759 486 HD2 TYR 69 2HD TYR 69 -4.893 4.196 -13.882 487 HE1 TYR 69 1HE TYR 69 -2.695 4.927 -9.542 488 HE2 TYR 69 2HE TYR 69 -2.461 3.897 -13.676 489 HH TYR 69 HH TYR 69 -0.627 4.706 -12.184 490 HA PRO 70 HA PRO 70 -7.004 9.011 -8.863 491 HB2 PRO 70 1HB PRO 70 -8.541 7.938 -6.899 492 HB3 PRO 70 2HB PRO 70 -9.205 8.919 -8.210 493 HG2 PRO 70 1HG PRO 70 -9.133 5.941 -7.923 494 HG3 PRO 70 2HG PRO 70 -10.458 6.979 -8.482 495 HD2 PRO 70 1HD PRO 70 -8.863 5.607 -10.187 496 HD3 PRO 70 2HD PRO 70 -9.573 7.180 -10.601 497 H PHE 71 H PHE 71 -4.851 8.534 -8.464 498 HA PHE 71 HA PHE 71 -3.752 6.219 -7.465 499 HB2 PHE 71 1HB PHE 71 -2.470 8.199 -8.266 500 HB3 PHE 71 2HB PHE 71 -2.864 9.023 -6.761 501 HD1 PHE 71 1HD PHE 71 -1.145 6.042 -8.138 502 HD2 PHE 71 2HD PHE 71 -1.548 8.725 -4.859 503 HE1 PHE 71 1HE PHE 71 0.838 5.040 -7.079 504 HE2 PHE 71 2HE PHE 71 0.434 7.729 -3.795 505 HZ PHE 71 HZ PHE 71 1.630 5.884 -4.905 506 H GLY 72 H GLY 72 -4.087 5.108 -5.663 507 HA2 GLY 72 1HA GLY 72 -3.844 5.227 -3.190 508 HA3 GLY 72 2HA GLY 72 -4.949 6.592 -3.255 509 H ASN 73 H ASN 73 -6.685 5.385 -5.249 510 HA ASN 73 HA ASN 73 -8.291 3.806 -3.445 511 HB2 ASN 73 1HB ASN 73 -9.356 5.495 -4.861 512 HB3 ASN 73 2HB ASN 73 -8.791 4.660 -6.305 513 HD21 ASN 73 1HD2 ASN 73 -10.905 4.419 -7.046 514 HD22 ASN 73 2HD2 ASN 73 -11.985 3.259 -6.358 515 H LEU 74 H LEU 74 -5.890 2.518 -4.093 516 HA LEU 74 HA LEU 74 -6.737 0.364 -5.906 517 HB2 LEU 74 1HB LEU 74 -3.963 0.895 -4.865 518 HB3 LEU 74 2HB LEU 74 -4.429 -0.204 -6.162 519 HG LEU 74 HG LEU 74 -5.008 2.699 -6.492 520 HD11 LEU 74 1HD1 LEU 74 -2.529 2.378 -7.649 521 HD12 LEU 74 2HD1 LEU 74 -2.354 1.593 -6.080 522 HD13 LEU 74 3HD1 LEU 74 -2.881 3.274 -6.171 523 HD21 LEU 74 3HD2 LEU 74 -5.278 0.442 -8.055 524 HD22 LEU 74 1HD2 LEU 74 -3.813 1.201 -8.676 525 HD23 LEU 74 2HD2 LEU 74 -5.322 2.112 -8.620 526 H LYS 75 H LYS 75 -7.362 -1.492 -5.042 527 HA LYS 75 HA LYS 75 -6.952 -1.984 -2.213 528 HB2 LYS 75 1HB LYS 75 -8.491 -3.506 -4.323 529 HB3 LYS 75 2HB LYS 75 -8.424 -3.964 -2.626 530 HG2 LYS 75 1HG LYS 75 -9.292 -1.205 -3.303 531 HG3 LYS 75 2HG LYS 75 -10.411 -2.538 -3.596 532 HD2 LYS 75 1HD LYS 75 -9.015 -2.278 -0.959 533 HD3 LYS 75 2HD LYS 75 -10.459 -1.323 -1.306 534 HE2 LYS 75 1HE LYS 75 -11.818 -3.192 -1.442 535 HE3 LYS 75 2HE LYS 75 -10.469 -4.273 -1.788 536 HZ1 LYS 75 3HZ LYS 75 -9.813 -4.278 0.437 537 HZ2 LYS 75 1HZ LYS 75 -11.499 -4.396 0.511 538 HZ3 LYS 75 2HZ LYS 75 -10.740 -2.917 0.825 539 HA PRO 76 HA PRO 76 -3.472 -4.641 -2.720 540 HB2 PRO 76 1HB PRO 76 -3.654 -5.999 -0.376 541 HB3 PRO 76 2HB PRO 76 -3.099 -4.324 -0.475 542 HG2 PRO 76 1HG PRO 76 -5.801 -5.385 0.257 543 HG3 PRO 76 2HG PRO 76 -4.870 -4.078 1.012 544 HD2 PRO 76 1HD PRO 76 -6.898 -3.610 -0.720 545 HD3 PRO 76 2HD PRO 76 -5.485 -2.543 -0.594 546 H ASN 77 H ASN 77 -3.208 -6.488 -3.805 547 HA ASN 77 HA ASN 77 -5.320 -8.534 -3.610 548 HB2 ASN 77 1HB ASN 77 -4.768 -7.216 -5.846 549 HB3 ASN 77 2HB ASN 77 -3.489 -8.421 -5.965 550 HD21 ASN 77 1HD2 ASN 77 -5.626 -8.161 -7.769 551 HD22 ASN 77 2HD2 ASN 77 -6.584 -9.596 -7.677 552 H LEU 78 H LEU 78 -3.611 -8.835 -1.667 553 HA LEU 78 HA LEU 78 -1.260 -10.317 -2.369 554 HB2 LEU 78 1HB LEU 78 -1.130 -10.761 0.073 555 HB3 LEU 78 2HB LEU 78 -1.215 -9.053 -0.354 556 HG LEU 78 HG LEU 78 -3.731 -10.472 0.384 557 HD11 LEU 78 1HD1 LEU 78 -3.206 -10.822 2.513 558 HD12 LEU 78 2HD1 LEU 78 -2.464 -9.230 2.666 559 HD13 LEU 78 3HD1 LEU 78 -1.519 -10.587 2.055 560 HD21 LEU 78 3HD2 LEU 78 -4.449 -8.383 0.134 561 HD22 LEU 78 1HD2 LEU 78 -2.802 -7.770 -0.013 562 HD23 LEU 78 2HD2 LEU 78 -3.531 -7.963 1.581 563 H HIS 79 H HIS 79 -2.118 -11.993 -3.685 564 HA HIS 79 HA HIS 79 -3.068 -14.021 -4.151 565 HB2 HIS 79 1HB HIS 79 -2.605 -15.747 -2.326 566 HB3 HIS 79 2HB HIS 79 -1.211 -14.887 -2.974 567 HD2 HIS 79 2HD HIS 79 0.222 -13.417 -1.138 568 HE1 HIS 79 1HE HIS 79 -2.329 -14.136 2.176 569 HE2 HIS 79 2HE HIS 79 -0.170 -13.096 1.399 570 H VAL 80 H VAL 80 -4.962 -12.145 -3.272 571 HA VAL 80 HA VAL 80 -6.813 -13.827 -1.710 572 HB VAL 80 HB VAL 80 -6.159 -11.624 -0.676 573 HG11 VAL 80 1HG1 VAL 80 -6.034 -9.961 -2.199 574 HG12 VAL 80 2HG1 VAL 80 -7.265 -10.677 -3.241 575 HG13 VAL 80 3HG1 VAL 80 -7.743 -9.767 -1.808 576 HG21 VAL 80 3HG2 VAL 80 -8.771 -10.966 -0.538 577 HG22 VAL 80 1HG2 VAL 80 -8.891 -12.605 -1.178 578 HG23 VAL 80 2HG2 VAL 80 -8.051 -12.313 0.345 579 H ALA 81 H ALA 81 -6.332 -13.904 -4.608 580 HA ALA 81 HA ALA 81 -8.626 -12.661 -5.840 581 HB1 ALA 81 3HB ALA 81 -7.594 -14.546 -7.616 582 HB2 ALA 81 1HB ALA 81 -7.259 -12.814 -7.585 583 HB3 ALA 81 2HB ALA 81 -6.198 -13.934 -6.730 584 H ASN 82 H ASN 82 -9.443 -14.294 -3.753 585 HA ASN 82 HA ASN 82 -10.336 -16.818 -4.869 586 HB2 ASN 82 1HB ASN 82 -10.392 -15.538 -2.174 587 HB3 ASN 82 2HB ASN 82 -11.582 -16.789 -2.523 588 HD21 ASN 82 1HD2 ASN 82 -8.327 -16.094 -1.780 589 HD22 ASN 82 2HD2 ASN 82 -7.741 -17.719 -1.768 590 H ILE 83 H ILE 83 -11.990 -14.071 -3.299 591 HA ILE 83 HA ILE 83 -14.456 -14.788 -4.677 592 HB ILE 83 HB ILE 83 -13.980 -12.592 -2.660 593 HG12 ILE 83 1HG1 ILE 83 -13.563 -14.914 -1.805 594 HG13 ILE 83 2HG1 ILE 83 -14.881 -14.075 -0.995 595 HG21 ILE 83 1HG2 ILE 83 -16.255 -13.358 -4.293 596 HG22 ILE 83 2HG2 ILE 83 -16.633 -13.348 -2.571 597 HG23 ILE 83 3HG2 ILE 83 -15.987 -11.899 -3.340 598 HD11 ILE 83 3HD1 ILE 83 -16.494 -15.413 -1.957 599 HD12 ILE 83 1HD1 ILE 83 -15.447 -15.894 -3.292 600 HD13 ILE 83 2HD1 ILE 83 -15.172 -16.545 -1.675 601 H VAL 84 H VAL 84 -11.822 -12.702 -5.083 602 HA VAL 84 HA VAL 84 -11.343 -11.091 -6.620 603 HB VAL 84 HB VAL 84 -13.996 -11.832 -7.863 604 HG11 VAL 84 1HG1 VAL 84 -13.572 -10.361 -9.481 605 HG12 VAL 84 2HG1 VAL 84 -12.317 -9.699 -8.431 606 HG13 VAL 84 3HG1 VAL 84 -11.905 -10.913 -9.642 607 HG21 VAL 84 3HG2 VAL 84 -11.424 -12.790 -8.979 608 HG22 VAL 84 1HG2 VAL 84 -12.009 -13.571 -7.510 609 HG23 VAL 84 2HG2 VAL 84 -13.010 -13.561 -8.962 610 H GLU 85 H GLU 85 -12.146 -10.049 -4.344 611 HA GLU 85 HA GLU 85 -14.022 -7.910 -5.112 612 HB2 GLU 85 1HB GLU 85 -15.100 -9.266 -3.447 613 HB3 GLU 85 2HB GLU 85 -13.667 -9.247 -2.429 614 HG2 GLU 85 1HG GLU 85 -13.957 -6.799 -2.160 615 HG3 GLU 85 2HG GLU 85 -15.468 -6.921 -3.059
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