NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
460838 | 2dav | 11212 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 2.435 23.489 9.034 2 HA2 GLY 1 1HA GLY 1 1.655 21.004 8.335 3 HA3 GLY 1 2HA GLY 1 3.289 21.579 8.040 4 H SER 2 H SER 2 1.391 19.296 9.634 5 HA SER 2 HA SER 2 3.463 18.645 11.591 6 HB2 SER 2 1HB SER 2 1.788 16.972 12.413 7 HB3 SER 2 2HB SER 2 1.213 18.638 12.465 8 HG SER 2 HG SER 2 0.685 17.269 10.123 9 H SER 3 H SER 3 4.500 18.249 9.187 10 HA SER 3 HA SER 3 4.329 15.337 8.761 11 HB2 SER 3 1HB SER 3 3.542 16.889 6.863 12 HB3 SER 3 2HB SER 3 5.247 17.290 6.656 13 HG SER 3 HG SER 3 4.254 14.635 6.642 14 H GLY 4 H GLY 4 6.047 14.382 9.626 15 HA2 GLY 4 1HA GLY 4 8.657 15.750 9.399 16 HA3 GLY 4 2HA GLY 4 8.213 14.720 10.752 17 H SER 5 H SER 5 10.156 14.795 8.204 18 HA SER 5 HA SER 5 10.209 11.885 7.992 19 HB2 SER 5 1HB SER 5 10.068 13.727 5.594 20 HB3 SER 5 2HB SER 5 10.447 12.007 5.515 21 HG SER 5 HG SER 5 8.363 11.784 5.383 22 H SER 6 H SER 6 12.230 11.030 7.444 23 HA SER 6 HA SER 6 14.444 12.827 6.914 24 HB2 SER 6 1HB SER 6 14.014 12.638 9.479 25 HB3 SER 6 2HB SER 6 14.724 11.033 9.308 26 HG SER 6 HG SER 6 15.919 13.526 8.674 27 H GLY 7 H GLY 7 15.316 11.840 5.210 28 HA2 GLY 7 1HA GLY 7 15.905 10.107 3.777 29 HA3 GLY 7 2HA GLY 7 16.878 9.665 5.172 30 H ILE 8 H ILE 8 13.469 9.403 4.150 31 HA ILE 8 HA ILE 8 13.005 7.031 5.634 32 HB ILE 8 HB ILE 8 10.946 6.835 4.181 33 HG12 ILE 8 1HG1 ILE 8 11.817 9.539 3.152 34 HG13 ILE 8 2HG1 ILE 8 12.013 8.049 2.236 35 HG21 ILE 8 1HG2 ILE 8 11.571 9.300 5.773 36 HG22 ILE 8 2HG2 ILE 8 9.968 9.017 5.096 37 HG23 ILE 8 3HG2 ILE 8 10.649 7.875 6.254 38 HD11 ILE 8 1HD1 ILE 8 9.884 8.049 1.598 39 HD12 ILE 8 2HD1 ILE 8 9.305 8.424 3.221 40 HD13 ILE 8 3HD1 ILE 8 9.846 9.721 2.156 41 H LEU 9 H LEU 9 12.520 4.915 4.782 42 HA LEU 9 HA LEU 9 14.415 4.135 2.730 43 HB2 LEU 9 1HB LEU 9 13.837 2.954 5.002 44 HB3 LEU 9 2HB LEU 9 12.550 2.219 4.049 45 HG LEU 9 HG LEU 9 14.478 1.549 2.440 46 HD11 LEU 9 1HD1 LEU 9 15.909 2.651 4.741 47 HD12 LEU 9 2HD1 LEU 9 16.460 2.358 3.091 48 HD13 LEU 9 3HD1 LEU 9 16.440 1.038 4.261 49 HD21 LEU 9 1HD2 LEU 9 14.742 -0.535 3.611 50 HD22 LEU 9 2HD2 LEU 9 13.081 0.024 3.808 51 HD23 LEU 9 3HD2 LEU 9 14.236 0.207 5.129 52 H PHE 10 H PHE 10 10.919 3.797 3.309 53 HA PHE 10 HA PHE 10 10.282 2.549 0.888 54 HB2 PHE 10 1HB PHE 10 8.866 3.162 3.088 55 HB3 PHE 10 2HB PHE 10 8.305 4.450 2.027 56 HD1 PHE 10 2HD PHE 10 9.180 0.909 1.283 57 HD2 PHE 10 1HD PHE 10 6.153 3.899 1.406 58 HE1 PHE 10 2HE PHE 10 7.598 -0.653 0.229 59 HE2 PHE 10 1HE PHE 10 4.566 2.341 0.353 60 HZ PHE 10 HZ PHE 10 5.288 0.062 -0.238 61 H ILE 11 H ILE 11 11.550 3.630 -0.701 62 HA ILE 11 HA ILE 11 11.825 6.172 -1.423 63 HB ILE 11 HB ILE 11 11.029 3.930 -3.278 64 HG12 ILE 11 1HG1 ILE 11 13.719 5.157 -2.632 65 HG13 ILE 11 2HG1 ILE 11 13.129 3.618 -2.014 66 HG21 ILE 11 1HG2 ILE 11 12.235 6.594 -4.013 67 HG22 ILE 11 2HG2 ILE 11 11.841 5.274 -5.113 68 HG23 ILE 11 3HG2 ILE 11 10.552 6.137 -4.276 69 HD11 ILE 11 1HD1 ILE 11 12.878 3.421 -4.775 70 HD12 ILE 11 2HD1 ILE 11 14.429 4.219 -4.506 71 HD13 ILE 11 3HD1 ILE 11 14.097 2.659 -3.754 72 H GLU 12 H GLU 12 9.141 4.464 -3.005 73 HA GLU 12 HA GLU 12 7.618 6.971 -2.954 74 HB2 GLU 12 1HB GLU 12 8.145 5.489 -5.084 75 HB3 GLU 12 2HB GLU 12 6.736 4.595 -4.531 76 HG2 GLU 12 1HG GLU 12 5.938 6.153 -6.091 77 HG3 GLU 12 2HG GLU 12 5.503 6.795 -4.508 78 H LYS 13 H LYS 13 5.294 6.860 -2.570 79 HA LYS 13 HA LYS 13 4.488 4.609 -0.858 80 HB2 LYS 13 1HB LYS 13 3.918 7.520 -0.270 81 HB3 LYS 13 2HB LYS 13 3.436 6.142 0.711 82 HG2 LYS 13 1HG LYS 13 5.549 5.811 1.535 83 HG3 LYS 13 2HG LYS 13 6.328 6.557 0.138 84 HD2 LYS 13 1HD LYS 13 6.637 8.199 1.709 85 HD3 LYS 13 2HD LYS 13 5.096 8.711 1.018 86 HE2 LYS 13 1HE LYS 13 4.592 8.815 3.247 87 HE3 LYS 13 2HE LYS 13 4.118 7.153 2.903 88 HZ1 LYS 13 1HZ LYS 13 6.249 8.149 4.567 89 HZ2 LYS 13 2HZ LYS 13 6.726 6.899 3.532 90 HZ3 LYS 13 3HZ LYS 13 5.446 6.660 4.612 91 HA PRO 14 HA PRO 14 0.850 4.542 -3.332 92 HB2 PRO 14 1HB PRO 14 -0.839 3.306 -1.603 93 HB3 PRO 14 2HB PRO 14 0.463 2.458 -2.446 94 HG2 PRO 14 1HG PRO 14 0.393 3.517 0.354 95 HG3 PRO 14 2HG PRO 14 1.021 1.969 -0.242 96 HD2 PRO 14 1HD PRO 14 2.629 4.071 0.330 97 HD3 PRO 14 2HD PRO 14 3.003 2.904 -0.954 98 H GLN 15 H GLN 15 0.353 6.754 -3.483 99 HA GLN 15 HA GLN 15 -0.906 8.204 -1.383 100 HB2 GLN 15 1HB GLN 15 -0.702 8.741 -4.348 101 HB3 GLN 15 2HB GLN 15 -1.398 9.871 -3.194 102 HG2 GLN 15 1HG GLN 15 0.753 10.653 -3.421 103 HG3 GLN 15 2HG GLN 15 0.865 9.654 -1.973 104 HE21 GLN 15 1HE2 GLN 15 3.154 9.638 -2.463 105 HE22 GLN 15 2HE2 GLN 15 3.768 8.493 -3.601 106 H GLY 16 H GLY 16 -2.814 7.501 -0.626 107 HA2 GLY 16 1HA GLY 16 -4.751 6.023 -1.879 108 HA3 GLY 16 2HA GLY 16 -5.092 7.167 -0.590 109 H GLY 17 H GLY 17 -6.954 6.652 -2.560 110 HA2 GLY 17 1HA GLY 17 -7.256 9.313 -3.679 111 HA3 GLY 17 2HA GLY 17 -7.110 8.021 -4.861 112 H THR 18 H THR 18 -9.209 8.439 -5.636 113 HA THR 18 HA THR 18 -11.306 7.264 -3.956 114 HB THR 18 HB THR 18 -11.766 9.768 -5.582 115 HG1 THR 18 1HG THR 18 -10.520 9.603 -3.289 116 HG21 THR 18 1HG2 THR 18 -13.804 8.609 -5.370 117 HG22 THR 18 2HG2 THR 18 -13.837 9.812 -4.080 118 HG23 THR 18 3HG2 THR 18 -13.456 8.130 -3.709 119 H VAL 19 H VAL 19 -12.044 5.560 -5.027 120 HA VAL 19 HA VAL 19 -12.190 5.690 -7.967 121 HB VAL 19 HB VAL 19 -10.690 3.934 -7.080 122 HG11 VAL 19 1HG1 VAL 19 -11.852 3.473 -4.990 123 HG12 VAL 19 2HG1 VAL 19 -13.216 2.798 -5.884 124 HG13 VAL 19 3HG1 VAL 19 -11.646 1.996 -5.929 125 HG21 VAL 19 1HG2 VAL 19 -12.880 3.587 -8.915 126 HG22 VAL 19 2HG2 VAL 19 -11.227 2.981 -9.017 127 HG23 VAL 19 3HG2 VAL 19 -12.455 2.052 -8.157 128 H LYS 20 H LYS 20 -14.065 5.141 -9.013 129 HA LYS 20 HA LYS 20 -16.494 5.403 -7.525 130 HB2 LYS 20 1HB LYS 20 -16.036 6.216 -9.908 131 HB3 LYS 20 2HB LYS 20 -16.274 4.546 -10.406 132 HG2 LYS 20 1HG LYS 20 -18.326 5.672 -10.741 133 HG3 LYS 20 2HG LYS 20 -18.532 4.644 -9.321 134 HD2 LYS 20 1HD LYS 20 -19.513 6.750 -8.807 135 HD3 LYS 20 2HD LYS 20 -17.994 6.656 -7.913 136 HE2 LYS 20 1HE LYS 20 -18.242 8.851 -8.909 137 HE3 LYS 20 2HE LYS 20 -16.902 7.990 -9.665 138 HZ1 LYS 20 1HZ LYS 20 -18.560 9.228 -11.153 139 HZ2 LYS 20 2HZ LYS 20 -19.596 7.923 -10.863 140 HZ3 LYS 20 3HZ LYS 20 -18.098 7.664 -11.604 141 H VAL 21 H VAL 21 -18.258 3.874 -7.535 142 HA VAL 21 HA VAL 21 -17.484 1.287 -6.737 143 HB VAL 21 HB VAL 21 -20.185 2.410 -7.470 144 HG11 VAL 21 1HG1 VAL 21 -19.411 -0.332 -7.189 145 HG12 VAL 21 2HG1 VAL 21 -20.495 0.118 -5.871 146 HG13 VAL 21 3HG1 VAL 21 -20.999 0.346 -7.546 147 HG21 VAL 21 1HG2 VAL 21 -20.563 2.498 -5.107 148 HG22 VAL 21 2HG2 VAL 21 -19.051 1.653 -4.781 149 HG23 VAL 21 3HG2 VAL 21 -19.022 3.287 -5.443 150 H GLY 22 H GLY 22 -16.818 -0.334 -7.974 151 HA2 GLY 22 1HA GLY 22 -17.230 -1.994 -9.627 152 HA3 GLY 22 2HA GLY 22 -18.187 -0.823 -10.523 153 H GLU 23 H GLU 23 -15.710 1.008 -9.749 154 HA GLU 23 HA GLU 23 -14.431 0.659 -12.309 155 HB2 GLU 23 1HB GLU 23 -14.324 2.673 -10.116 156 HB3 GLU 23 2HB GLU 23 -12.947 2.573 -11.205 157 HG2 GLU 23 1HG GLU 23 -14.484 2.885 -13.114 158 HG3 GLU 23 2HG GLU 23 -15.808 3.100 -11.971 159 H ASP 24 H ASP 24 -11.874 1.102 -12.136 160 HA ASP 24 HA ASP 24 -10.771 -0.841 -10.220 161 HB2 ASP 24 1HB ASP 24 -9.338 -1.770 -11.931 162 HB3 ASP 24 2HB ASP 24 -11.008 -1.851 -12.485 163 H ILE 25 H ILE 25 -9.263 0.049 -8.991 164 HA ILE 25 HA ILE 25 -7.671 2.268 -10.100 165 HB ILE 25 HB ILE 25 -9.185 3.116 -8.397 166 HG12 ILE 25 1HG1 ILE 25 -6.527 3.005 -7.015 167 HG13 ILE 25 2HG1 ILE 25 -6.654 3.778 -8.591 168 HG21 ILE 25 1HG2 ILE 25 -9.266 0.821 -7.226 169 HG22 ILE 25 2HG2 ILE 25 -7.857 1.396 -6.336 170 HG23 ILE 25 3HG2 ILE 25 -9.382 2.276 -6.238 171 HD11 ILE 25 1HD1 ILE 25 -7.007 5.583 -7.276 172 HD12 ILE 25 2HD1 ILE 25 -8.671 5.010 -7.391 173 HD13 ILE 25 3HD1 ILE 25 -7.706 4.632 -5.965 174 H THR 26 H THR 26 -5.493 2.430 -9.420 175 HA THR 26 HA THR 26 -4.395 0.046 -8.093 176 HB THR 26 HB THR 26 -3.035 1.337 -10.455 177 HG1 THR 26 1HG THR 26 -4.534 0.374 -11.602 178 HG21 THR 26 1HG2 THR 26 -2.674 -1.309 -9.043 179 HG22 THR 26 2HG2 THR 26 -1.573 0.068 -8.998 180 HG23 THR 26 3HG2 THR 26 -1.815 -0.818 -10.503 181 H PHE 27 H PHE 27 -2.591 0.377 -6.821 182 HA PHE 27 HA PHE 27 -1.866 3.197 -6.379 183 HB2 PHE 27 1HB PHE 27 -1.711 0.903 -4.413 184 HB3 PHE 27 2HB PHE 27 -1.351 2.592 -4.072 185 HD1 PHE 27 1HD PHE 27 -4.019 0.176 -4.801 186 HD2 PHE 27 2HD PHE 27 -3.091 4.177 -3.685 187 HE1 PHE 27 1HE PHE 27 -6.372 0.546 -4.185 188 HE2 PHE 27 2HE PHE 27 -5.442 4.554 -3.067 189 HZ PHE 27 HZ PHE 27 -7.086 2.737 -3.315 190 H ILE 28 H ILE 28 0.344 3.637 -5.737 191 HA ILE 28 HA ILE 28 2.240 1.670 -6.845 192 HB ILE 28 HB ILE 28 2.409 4.684 -6.888 193 HG12 ILE 28 1HG1 ILE 28 0.918 3.734 -8.587 194 HG13 ILE 28 2HG1 ILE 28 2.370 4.397 -9.329 195 HG21 ILE 28 1HG2 ILE 28 4.425 2.577 -7.607 196 HG22 ILE 28 2HG2 ILE 28 4.497 4.214 -8.257 197 HG23 ILE 28 3HG2 ILE 28 4.613 3.950 -6.517 198 HD11 ILE 28 1HD1 ILE 28 1.795 1.492 -8.799 199 HD12 ILE 28 2HD1 ILE 28 1.795 2.305 -10.365 200 HD13 ILE 28 3HD1 ILE 28 3.301 2.124 -9.465 201 H ALA 29 H ALA 29 4.033 1.156 -5.686 202 HA ALA 29 HA ALA 29 4.841 2.715 -3.392 203 HB1 ALA 29 1HB ALA 29 2.933 1.230 -2.620 204 HB2 ALA 29 2HB ALA 29 4.024 -0.131 -2.879 205 HB3 ALA 29 3HB ALA 29 4.439 1.120 -1.708 206 H LYS 30 H LYS 30 6.966 2.804 -3.659 207 HA LYS 30 HA LYS 30 8.377 0.382 -4.567 208 HB2 LYS 30 1HB LYS 30 8.742 3.272 -5.168 209 HB3 LYS 30 2HB LYS 30 10.192 2.284 -5.054 210 HG2 LYS 30 1HG LYS 30 9.709 1.104 -6.937 211 HG3 LYS 30 2HG LYS 30 7.964 1.266 -6.725 212 HD2 LYS 30 1HD LYS 30 9.640 3.665 -7.356 213 HD3 LYS 30 2HD LYS 30 9.143 2.562 -8.641 214 HE2 LYS 30 1HE LYS 30 6.785 2.864 -7.883 215 HE3 LYS 30 2HE LYS 30 7.355 4.094 -6.757 216 HZ1 LYS 30 1HZ LYS 30 6.910 5.455 -8.469 217 HZ2 LYS 30 2HZ LYS 30 7.016 4.233 -9.633 218 HZ3 LYS 30 3HZ LYS 30 8.424 4.959 -9.040 219 H VAL 31 H VAL 31 10.530 0.033 -3.696 220 HA VAL 31 HA VAL 31 11.059 1.355 -1.132 221 HB VAL 31 HB VAL 31 9.826 -0.748 -0.661 222 HG11 VAL 31 1HG1 VAL 31 12.230 -2.084 -1.901 223 HG12 VAL 31 2HG1 VAL 31 10.899 -2.897 -1.076 224 HG13 VAL 31 3HG1 VAL 31 10.608 -2.038 -2.590 225 HG21 VAL 31 1HG2 VAL 31 11.019 -1.073 1.219 226 HG22 VAL 31 2HG2 VAL 31 12.514 -1.394 0.340 227 HG23 VAL 31 3HG2 VAL 31 11.992 0.268 0.615 228 H LYS 32 H LYS 32 13.198 1.565 -0.611 229 HA LYS 32 HA LYS 32 15.084 1.243 -2.747 230 HB2 LYS 32 1HB LYS 32 14.994 3.122 -0.991 231 HB3 LYS 32 2HB LYS 32 15.774 1.976 0.090 232 HG2 LYS 32 1HG LYS 32 17.576 3.118 -0.746 233 HG3 LYS 32 2HG LYS 32 17.497 1.742 -1.849 234 HD2 LYS 32 1HD LYS 32 15.912 3.400 -3.189 235 HD3 LYS 32 2HD LYS 32 16.868 4.606 -2.326 236 HE2 LYS 32 1HE LYS 32 18.284 2.371 -3.692 237 HE3 LYS 32 2HE LYS 32 17.620 3.673 -4.677 238 HZ1 LYS 32 1HZ LYS 32 18.864 5.249 -3.256 239 HZ2 LYS 32 2HZ LYS 32 19.866 4.199 -4.125 240 HZ3 LYS 32 3HZ LYS 32 19.594 3.936 -2.476 241 H ALA 33 H ALA 33 16.120 -0.576 -3.191 242 HA ALA 33 HA ALA 33 16.708 -2.440 -0.983 243 HB1 ALA 33 1HB ALA 33 15.478 -3.856 -2.207 244 HB2 ALA 33 2HB ALA 33 15.607 -2.866 -3.661 245 HB3 ALA 33 3HB ALA 33 16.911 -3.971 -3.229 246 H GLU 34 H GLU 34 18.721 -3.503 -0.974 247 HA GLU 34 HA GLU 34 20.777 -2.221 -2.652 248 HB2 GLU 34 1HB GLU 34 21.086 -3.266 0.169 249 HB3 GLU 34 2HB GLU 34 22.349 -2.516 -0.798 250 HG2 GLU 34 1HG GLU 34 21.212 -0.411 -0.765 251 HG3 GLU 34 2HG GLU 34 19.807 -1.132 0.019 252 H ASP 35 H ASP 35 19.810 -5.190 -0.992 253 HA ASP 35 HA ASP 35 21.824 -6.717 -2.449 254 HB2 ASP 35 1HB ASP 35 21.191 -7.029 0.052 255 HB3 ASP 35 2HB ASP 35 19.798 -7.906 -0.575 256 H LEU 36 H LEU 36 21.188 -8.720 -3.557 257 HA LEU 36 HA LEU 36 18.625 -8.364 -4.960 258 HB2 LEU 36 1HB LEU 36 21.050 -9.879 -5.908 259 HB3 LEU 36 2HB LEU 36 19.602 -9.500 -6.839 260 HG LEU 36 HG LEU 36 21.770 -7.611 -5.946 261 HD11 LEU 36 1HD1 LEU 36 21.894 -9.109 -8.065 262 HD12 LEU 36 2HD1 LEU 36 22.313 -7.400 -8.177 263 HD13 LEU 36 3HD1 LEU 36 20.732 -7.957 -8.725 264 HD21 LEU 36 1HD2 LEU 36 20.186 -6.048 -5.783 265 HD22 LEU 36 2HD2 LEU 36 18.958 -7.094 -6.497 266 HD23 LEU 36 3HD2 LEU 36 20.047 -6.174 -7.537 267 H LEU 37 H LEU 37 20.749 -10.723 -3.426 268 HA LEU 37 HA LEU 37 19.327 -13.052 -3.948 269 HB2 LEU 37 1HB LEU 37 21.018 -12.216 -1.611 270 HB3 LEU 37 2HB LEU 37 20.298 -13.821 -1.718 271 HG LEU 37 HG LEU 37 22.618 -13.878 -2.414 272 HD11 LEU 37 1HD1 LEU 37 20.628 -15.109 -3.652 273 HD12 LEU 37 2HD1 LEU 37 22.298 -15.252 -4.198 274 HD13 LEU 37 3HD1 LEU 37 21.199 -14.135 -5.007 275 HD21 LEU 37 1HD2 LEU 37 22.816 -11.546 -3.141 276 HD22 LEU 37 2HD2 LEU 37 21.813 -11.903 -4.548 277 HD23 LEU 37 3HD2 LEU 37 23.395 -12.666 -4.374 278 H ARG 38 H ARG 38 18.793 -10.566 -1.520 279 HA ARG 38 HA ARG 38 16.519 -12.061 -0.440 280 HB2 ARG 38 1HB ARG 38 17.501 -9.406 0.576 281 HB3 ARG 38 2HB ARG 38 16.591 -10.640 1.436 282 HG2 ARG 38 1HG ARG 38 19.341 -11.238 0.441 283 HG3 ARG 38 2HG ARG 38 19.112 -10.319 1.929 284 HD2 ARG 38 1HD ARG 38 19.252 -12.499 2.698 285 HD3 ARG 38 2HD ARG 38 17.511 -12.241 2.586 286 HE ARG 38 HE ARG 38 17.415 -13.776 0.871 287 HH11 ARG 38 2HH1 ARG 38 20.733 -12.992 1.579 288 HH12 ARG 38 1HH1 ARG 38 21.379 -14.270 0.604 289 HH21 ARG 38 2HH2 ARG 38 18.254 -15.462 -0.416 290 HH22 ARG 38 1HH2 ARG 38 19.968 -15.674 -0.532 291 H LYS 39 H LYS 39 14.436 -11.143 -0.302 292 HA LYS 39 HA LYS 39 13.944 -8.747 -1.917 293 HB2 LYS 39 1HB LYS 39 13.529 -10.448 -3.510 294 HB3 LYS 39 2HB LYS 39 12.709 -11.463 -2.330 295 HG2 LYS 39 1HG LYS 39 10.970 -9.587 -2.208 296 HG3 LYS 39 2HG LYS 39 11.707 -8.994 -3.698 297 HD2 LYS 39 1HD LYS 39 10.651 -11.794 -3.325 298 HD3 LYS 39 2HD LYS 39 9.731 -10.475 -4.054 299 HE2 LYS 39 1HE LYS 39 11.154 -10.355 -5.906 300 HE3 LYS 39 2HE LYS 39 12.438 -11.247 -5.091 301 HZ1 LYS 39 1HZ LYS 39 11.578 -13.187 -5.724 302 HZ2 LYS 39 2HZ LYS 39 10.659 -12.302 -6.834 303 HZ3 LYS 39 3HZ LYS 39 9.994 -12.736 -5.341 304 HA PRO 40 HA PRO 40 11.452 -7.870 1.651 305 HB2 PRO 40 1HB PRO 40 10.397 -5.547 0.723 306 HB3 PRO 40 2HB PRO 40 12.052 -5.675 1.331 307 HG2 PRO 40 1HG PRO 40 11.067 -5.681 -1.496 308 HG3 PRO 40 2HG PRO 40 12.467 -4.844 -0.801 309 HD2 PRO 40 1HD PRO 40 12.695 -7.158 -2.189 310 HD3 PRO 40 2HD PRO 40 13.782 -6.736 -0.850 311 H THR 41 H THR 41 9.316 -8.058 2.247 312 HA THR 41 HA THR 41 7.439 -8.762 0.087 313 HB THR 41 HB THR 41 7.264 -9.639 2.973 314 HG1 THR 41 1HG THR 41 9.109 -10.551 1.953 315 HG21 THR 41 1HG2 THR 41 5.603 -11.180 2.215 316 HG22 THR 41 2HG2 THR 41 5.916 -10.778 0.527 317 HG23 THR 41 3HG2 THR 41 5.165 -9.590 1.592 318 H ILE 42 H ILE 42 5.489 -7.772 -0.033 319 HA ILE 42 HA ILE 42 4.944 -5.675 1.964 320 HB ILE 42 HB ILE 42 5.414 -4.831 -0.317 321 HG12 ILE 42 1HG1 ILE 42 2.504 -4.329 0.160 322 HG13 ILE 42 2HG1 ILE 42 3.660 -3.875 1.407 323 HG21 ILE 42 1HG2 ILE 42 4.150 -5.367 -2.181 324 HG22 ILE 42 2HG2 ILE 42 4.289 -6.919 -1.356 325 HG23 ILE 42 3HG2 ILE 42 2.804 -5.978 -1.219 326 HD11 ILE 42 1HD1 ILE 42 2.906 -2.204 -0.490 327 HD12 ILE 42 2HD1 ILE 42 4.544 -2.194 0.166 328 HD13 ILE 42 3HD1 ILE 42 4.213 -2.999 -1.368 329 H LYS 43 H LYS 43 2.979 -5.572 2.929 330 HA LYS 43 HA LYS 43 0.940 -7.520 2.081 331 HB2 LYS 43 1HB LYS 43 2.291 -8.098 4.207 332 HB3 LYS 43 2HB LYS 43 1.380 -6.800 4.967 333 HG2 LYS 43 1HG LYS 43 0.085 -8.601 5.506 334 HG3 LYS 43 2HG LYS 43 -0.681 -8.095 3.998 335 HD2 LYS 43 1HD LYS 43 -0.424 -10.441 3.846 336 HD3 LYS 43 2HD LYS 43 0.840 -9.747 2.828 337 HE2 LYS 43 1HE LYS 43 2.245 -9.913 5.050 338 HE3 LYS 43 2HE LYS 43 1.056 -11.153 5.446 339 HZ1 LYS 43 1HZ LYS 43 1.624 -12.305 3.404 340 HZ2 LYS 43 2HZ LYS 43 3.000 -12.096 4.365 341 HZ3 LYS 43 3HZ LYS 43 2.756 -11.111 3.011 342 H TRP 44 H TRP 44 -0.845 -6.507 1.473 343 HA TRP 44 HA TRP 44 -1.366 -3.795 2.386 344 HB2 TRP 44 1HB TRP 44 -2.893 -5.480 0.389 345 HB3 TRP 44 2HB TRP 44 -3.099 -3.753 0.670 346 HD1 TRP 44 HD TRP 44 -0.523 -6.238 -0.769 347 HE1 TRP 44 1HE TRP 44 0.985 -4.965 -2.421 348 HE3 TRP 44 3HE TRP 44 -2.286 -1.502 0.006 349 HZ2 TRP 44 2HZ TRP 44 1.376 -2.306 -3.282 350 HZ3 TRP 44 3HZ TRP 44 -1.291 0.350 -1.272 351 HH2 TRP 44 HH TRP 44 0.503 -0.045 -2.881 352 H PHE 45 H PHE 45 -2.998 -3.185 3.707 353 HA PHE 45 HA PHE 45 -4.874 -5.260 4.619 354 HB2 PHE 45 1HB PHE 45 -3.225 -3.369 6.284 355 HB3 PHE 45 2HB PHE 45 -4.708 -4.086 6.904 356 HD1 PHE 45 1HD PHE 45 -4.839 -6.450 7.398 357 HD2 PHE 45 2HD PHE 45 -1.252 -4.709 5.909 358 HE1 PHE 45 1HE PHE 45 -3.591 -8.466 8.056 359 HE2 PHE 45 2HE PHE 45 0.002 -6.722 6.564 360 HZ PHE 45 HZ PHE 45 -1.168 -8.604 7.638 361 H LYS 46 H LYS 46 -6.709 -4.195 5.935 362 HA LYS 46 HA LYS 46 -7.384 -1.497 5.170 363 HB2 LYS 46 1HB LYS 46 -8.077 -2.592 3.150 364 HB3 LYS 46 2HB LYS 46 -8.897 -3.859 4.053 365 HG2 LYS 46 1HG LYS 46 -10.543 -2.374 3.175 366 HG3 LYS 46 2HG LYS 46 -10.467 -2.140 4.923 367 HD2 LYS 46 1HD LYS 46 -9.010 -0.176 4.560 368 HD3 LYS 46 2HD LYS 46 -9.195 -0.391 2.818 369 HE2 LYS 46 1HE LYS 46 -10.710 1.327 3.706 370 HE3 LYS 46 2HE LYS 46 -11.587 -0.031 3.002 371 HZ1 LYS 46 1HZ LYS 46 -11.916 -0.913 5.237 372 HZ2 LYS 46 2HZ LYS 46 -12.576 0.637 5.087 373 HZ3 LYS 46 3HZ LYS 46 -11.108 0.418 5.899 374 H GLY 47 H GLY 47 -9.048 -0.618 6.406 375 HA2 GLY 47 1HA GLY 47 -10.492 -0.426 8.185 376 HA3 GLY 47 2HA GLY 47 -10.785 -2.153 8.039 377 H LYS 48 H LYS 48 -10.585 -2.951 10.033 378 HA LYS 48 HA LYS 48 -8.312 -2.078 11.678 379 HB2 LYS 48 1HB LYS 48 -10.861 -2.118 12.421 380 HB3 LYS 48 2HB LYS 48 -10.490 -3.801 12.770 381 HG2 LYS 48 1HG LYS 48 -8.738 -1.615 13.815 382 HG3 LYS 48 2HG LYS 48 -10.241 -2.039 14.637 383 HD2 LYS 48 1HD LYS 48 -9.501 -4.231 15.081 384 HD3 LYS 48 2HD LYS 48 -8.171 -4.101 13.927 385 HE2 LYS 48 1HE LYS 48 -7.219 -3.924 16.091 386 HE3 LYS 48 2HE LYS 48 -7.212 -2.302 15.400 387 HZ1 LYS 48 1HZ LYS 48 -9.571 -2.974 16.938 388 HZ2 LYS 48 2HZ LYS 48 -8.651 -1.555 16.929 389 HZ3 LYS 48 3HZ LYS 48 -8.140 -2.889 17.835 390 H TRP 49 H TRP 49 -10.070 -5.025 10.731 391 HA TRP 49 HA TRP 49 -7.607 -6.552 11.260 392 HB2 TRP 49 1HB TRP 49 -10.343 -7.789 11.088 393 HB3 TRP 49 2HB TRP 49 -8.892 -8.425 11.858 394 HD1 TRP 49 HD TRP 49 -11.519 -5.634 12.398 395 HE1 TRP 49 1HE TRP 49 -11.698 -5.189 14.926 396 HE3 TRP 49 3HE TRP 49 -7.799 -8.736 14.034 397 HZ2 TRP 49 2HZ TRP 49 -10.430 -6.039 17.301 398 HZ3 TRP 49 3HZ TRP 49 -7.345 -8.861 16.449 399 HH2 TRP 49 HH TRP 49 -8.634 -7.540 18.047 400 H MET 50 H MET 50 -10.243 -5.986 9.006 401 HA MET 50 HA MET 50 -9.951 -7.913 7.126 402 HB2 MET 50 1HB MET 50 -11.361 -5.675 7.172 403 HB3 MET 50 2HB MET 50 -10.062 -5.098 6.136 404 HG2 MET 50 1HG MET 50 -10.519 -7.206 4.743 405 HG3 MET 50 2HG MET 50 -12.038 -7.285 5.631 406 HE1 MET 50 1HE MET 50 -9.749 -5.542 3.324 407 HE2 MET 50 2HE MET 50 -10.918 -6.091 2.123 408 HE3 MET 50 3HE MET 50 -10.714 -4.366 2.432 409 H ASP 51 H ASP 51 -8.237 -8.748 6.153 410 HA ASP 51 HA ASP 51 -5.934 -7.001 5.596 411 HB2 ASP 51 1HB ASP 51 -5.413 -8.848 7.107 412 HB3 ASP 51 2HB ASP 51 -6.042 -10.006 5.938 413 H LEU 52 H LEU 52 -6.233 -6.247 3.573 414 HA LEU 52 HA LEU 52 -7.559 -7.382 1.463 415 HB2 LEU 52 1HB LEU 52 -5.021 -5.771 1.244 416 HB3 LEU 52 2HB LEU 52 -6.254 -5.966 -0.001 417 HG LEU 52 HG LEU 52 -6.641 -4.542 2.633 418 HD11 LEU 52 1HD1 LEU 52 -6.967 -2.680 0.695 419 HD12 LEU 52 2HD1 LEU 52 -5.682 -3.668 -0.001 420 HD13 LEU 52 3HD1 LEU 52 -5.469 -2.937 1.590 421 HD21 LEU 52 1HD2 LEU 52 -8.791 -3.967 1.890 422 HD22 LEU 52 2HD2 LEU 52 -8.638 -5.689 1.540 423 HD23 LEU 52 3HD2 LEU 52 -8.461 -4.506 0.243 424 H ALA 53 H ALA 53 -4.302 -8.056 2.577 425 HA ALA 53 HA ALA 53 -3.144 -9.366 0.494 426 HB1 ALA 53 1HB ALA 53 -2.953 -10.750 3.106 427 HB2 ALA 53 2HB ALA 53 -1.681 -10.234 1.997 428 HB3 ALA 53 3HB ALA 53 -2.464 -9.056 3.050 429 H SER 54 H SER 54 -5.341 -10.866 2.868 430 HA SER 54 HA SER 54 -5.452 -13.334 1.404 431 HB2 SER 54 1HB SER 54 -7.508 -12.674 3.461 432 HB3 SER 54 2HB SER 54 -6.622 -14.176 3.196 433 HG SER 54 HG SER 54 -6.073 -12.781 5.106 434 H LYS 55 H LYS 55 -7.121 -10.350 1.305 435 HA LYS 55 HA LYS 55 -9.569 -11.347 0.187 436 HB2 LYS 55 1HB LYS 55 -8.462 -8.534 0.112 437 HB3 LYS 55 2HB LYS 55 -10.130 -9.012 -0.181 438 HG2 LYS 55 1HG LYS 55 -8.700 -9.431 2.433 439 HG3 LYS 55 2HG LYS 55 -9.705 -8.027 2.066 440 HD2 LYS 55 1HD LYS 55 -11.579 -9.632 1.572 441 HD3 LYS 55 2HD LYS 55 -10.555 -10.915 2.221 442 HE2 LYS 55 1HE LYS 55 -10.356 -9.364 4.289 443 HE3 LYS 55 2HE LYS 55 -11.793 -8.582 3.631 444 HZ1 LYS 55 1HZ LYS 55 -12.644 -11.032 3.524 445 HZ2 LYS 55 2HZ LYS 55 -12.728 -10.157 4.969 446 HZ3 LYS 55 3HZ LYS 55 -11.487 -11.282 4.733 447 H ALA 56 H ALA 56 -6.459 -10.490 -1.031 448 HA ALA 56 HA ALA 56 -7.129 -9.849 -3.689 449 HB1 ALA 56 1HB ALA 56 -4.755 -10.227 -2.172 450 HB2 ALA 56 2HB ALA 56 -4.618 -11.158 -3.664 451 HB3 ALA 56 3HB ALA 56 -4.953 -9.428 -3.732 452 H GLY 57 H GLY 57 -8.255 -11.118 -5.015 453 HA2 GLY 57 1HA GLY 57 -7.287 -13.718 -5.720 454 HA3 GLY 57 2HA GLY 57 -8.770 -13.806 -4.781 455 H LYS 58 H LYS 58 -10.292 -11.802 -5.681 456 HA LYS 58 HA LYS 58 -10.441 -12.171 -8.597 457 HB2 LYS 58 1HB LYS 58 -12.469 -12.765 -6.523 458 HB3 LYS 58 2HB LYS 58 -13.058 -11.941 -7.961 459 HG2 LYS 58 1HG LYS 58 -12.314 -13.706 -9.373 460 HG3 LYS 58 2HG LYS 58 -11.443 -14.477 -8.046 461 HD2 LYS 58 1HD LYS 58 -14.389 -14.016 -7.827 462 HD3 LYS 58 2HD LYS 58 -13.780 -15.380 -8.768 463 HE2 LYS 58 1HE LYS 58 -12.589 -16.220 -6.834 464 HE3 LYS 58 2HE LYS 58 -13.077 -14.815 -5.889 465 HZ1 LYS 58 1HZ LYS 58 -14.764 -16.103 -5.247 466 HZ2 LYS 58 2HZ LYS 58 -14.547 -17.209 -6.507 467 HZ3 LYS 58 3HZ LYS 58 -15.435 -15.793 -6.768 468 H HIS 59 H HIS 59 -12.452 -10.416 -6.251 469 HA HIS 59 HA HIS 59 -12.725 -8.131 -7.857 470 HB2 HIS 59 1HB HIS 59 -13.101 -8.544 -4.890 471 HB3 HIS 59 2HB HIS 59 -13.494 -7.034 -5.707 472 HD1 HIS 59 1HD HIS 59 -15.104 -7.697 -8.024 473 HD2 HIS 59 2HD HIS 59 -15.354 -9.975 -4.558 474 HE1 HIS 59 1HE HIS 59 -17.329 -8.863 -8.144 475 HE2 HIS 59 2HE HIS 59 -17.495 -10.168 -5.996 476 H LEU 60 H LEU 60 -10.132 -9.188 -5.925 477 HA LEU 60 HA LEU 60 -8.805 -6.593 -6.283 478 HB2 LEU 60 1HB LEU 60 -9.402 -6.594 -3.990 479 HB3 LEU 60 2HB LEU 60 -8.898 -8.271 -3.790 480 HG LEU 60 HG LEU 60 -6.539 -7.222 -4.452 481 HD11 LEU 60 1HD1 LEU 60 -8.193 -4.937 -4.064 482 HD12 LEU 60 2HD1 LEU 60 -6.474 -5.009 -4.449 483 HD13 LEU 60 3HD1 LEU 60 -7.001 -5.003 -2.766 484 HD21 LEU 60 1HD2 LEU 60 -7.675 -8.262 -2.205 485 HD22 LEU 60 2HD2 LEU 60 -7.193 -6.658 -1.652 486 HD23 LEU 60 3HD2 LEU 60 -5.993 -7.752 -2.344 487 H GLN 61 H GLN 61 -6.614 -6.676 -6.729 488 HA GLN 61 HA GLN 61 -5.250 -9.241 -6.732 489 HB2 GLN 61 1HB GLN 61 -5.789 -7.671 -9.253 490 HB3 GLN 61 2HB GLN 61 -4.564 -8.927 -9.135 491 HG2 GLN 61 1HG GLN 61 -7.436 -9.457 -8.465 492 HG3 GLN 61 2HG GLN 61 -6.828 -9.556 -10.117 493 HE21 GLN 61 1HE2 GLN 61 -7.354 -11.235 -7.298 494 HE22 GLN 61 2HE2 GLN 61 -6.356 -12.611 -7.610 495 H LEU 62 H LEU 62 -3.253 -8.939 -6.015 496 HA LEU 62 HA LEU 62 -2.148 -6.245 -5.964 497 HB2 LEU 62 1HB LEU 62 -0.926 -8.731 -4.797 498 HB3 LEU 62 2HB LEU 62 -0.590 -7.054 -4.372 499 HG LEU 62 HG LEU 62 -3.183 -8.494 -3.814 500 HD11 LEU 62 1HD1 LEU 62 -1.579 -9.496 -2.419 501 HD12 LEU 62 2HD1 LEU 62 -2.360 -8.268 -1.424 502 HD13 LEU 62 3HD1 LEU 62 -0.766 -7.961 -2.112 503 HD21 LEU 62 1HD2 LEU 62 -3.893 -6.587 -2.692 504 HD22 LEU 62 2HD2 LEU 62 -3.123 -5.937 -4.139 505 HD23 LEU 62 3HD2 LEU 62 -2.265 -5.915 -2.598 506 H LYS 63 H LYS 63 0.190 -5.961 -6.446 507 HA LYS 63 HA LYS 63 1.215 -7.785 -8.493 508 HB2 LYS 63 1HB LYS 63 -0.081 -5.557 -9.289 509 HB3 LYS 63 2HB LYS 63 1.536 -4.898 -9.079 510 HG2 LYS 63 1HG LYS 63 1.715 -5.536 -11.239 511 HG3 LYS 63 2HG LYS 63 2.169 -7.067 -10.486 512 HD2 LYS 63 1HD LYS 63 0.124 -8.048 -10.946 513 HD3 LYS 63 2HD LYS 63 -0.706 -6.496 -11.079 514 HE2 LYS 63 1HE LYS 63 -0.567 -7.247 -13.283 515 HE3 LYS 63 2HE LYS 63 0.773 -6.110 -13.141 516 HZ1 LYS 63 1HZ LYS 63 1.833 -7.853 -14.108 517 HZ2 LYS 63 2HZ LYS 63 0.825 -9.021 -13.415 518 HZ3 LYS 63 3HZ LYS 63 2.044 -8.300 -12.490 519 H GLU 64 H GLU 64 3.479 -7.685 -8.804 520 HA GLU 64 HA GLU 64 5.045 -5.910 -7.130 521 HB2 GLU 64 1HB GLU 64 4.770 -7.557 -5.489 522 HB3 GLU 64 2HB GLU 64 4.844 -8.867 -6.658 523 HG2 GLU 64 1HG GLU 64 7.256 -8.266 -7.023 524 HG3 GLU 64 2HG GLU 64 7.112 -7.184 -5.638 525 H THR 65 H THR 65 6.969 -5.442 -8.028 526 HA THR 65 HA THR 65 8.132 -7.245 -10.005 527 HB THR 65 HB THR 65 6.597 -5.593 -11.189 528 HG1 THR 65 1HG THR 65 9.238 -5.189 -12.062 529 HG21 THR 65 1HG2 THR 65 8.816 -3.647 -10.569 530 HG22 THR 65 2HG2 THR 65 7.260 -3.654 -9.740 531 HG23 THR 65 3HG2 THR 65 7.335 -3.336 -11.473 532 H PHE 66 H PHE 66 10.347 -6.986 -10.301 533 HA PHE 66 HA PHE 66 11.643 -5.154 -8.393 534 HB2 PHE 66 1HB PHE 66 12.080 -7.399 -7.711 535 HB3 PHE 66 2HB PHE 66 12.462 -7.894 -9.357 536 HD1 PHE 66 1HD PHE 66 13.608 -5.262 -6.966 537 HD2 PHE 66 2HD PHE 66 14.676 -8.300 -9.750 538 HE1 PHE 66 1HE PHE 66 15.990 -4.808 -6.544 539 HE2 PHE 66 2HE PHE 66 17.058 -7.851 -9.332 540 HZ PHE 66 HZ PHE 66 17.718 -6.104 -7.726 541 H GLU 67 H GLU 67 13.477 -4.018 -9.037 542 HA GLU 67 HA GLU 67 14.109 -4.105 -11.910 543 HB2 GLU 67 1HB GLU 67 13.356 -1.765 -10.212 544 HB3 GLU 67 2HB GLU 67 14.518 -1.527 -11.509 545 HG2 GLU 67 1HG GLU 67 12.890 -2.421 -13.112 546 HG3 GLU 67 2HG GLU 67 11.722 -2.600 -11.804 547 H ARG 68 H ARG 68 15.997 -5.266 -11.554 548 HA ARG 68 HA ARG 68 17.928 -4.706 -9.606 549 HB2 ARG 68 1HB ARG 68 19.466 -5.799 -11.481 550 HB3 ARG 68 2HB ARG 68 18.322 -6.751 -10.544 551 HG2 ARG 68 1HG ARG 68 17.250 -5.554 -13.007 552 HG3 ARG 68 2HG ARG 68 18.486 -6.794 -13.230 553 HD2 ARG 68 1HD ARG 68 16.976 -8.017 -11.393 554 HD3 ARG 68 2HD ARG 68 15.739 -7.011 -12.146 555 HE ARG 68 HE ARG 68 17.331 -8.443 -14.050 556 HH11 ARG 68 2HH1 ARG 68 14.595 -8.653 -11.906 557 HH12 ARG 68 1HH1 ARG 68 13.820 -9.914 -12.807 558 HH21 ARG 68 2HH2 ARG 68 16.320 -10.103 -15.244 559 HH22 ARG 68 1HH2 ARG 68 14.803 -10.739 -14.705 560 H HIS 69 H HIS 69 17.170 -3.108 -12.559 561 HA HIS 69 HA HIS 69 19.581 -1.944 -13.272 562 HB2 HIS 69 1HB HIS 69 16.881 -0.587 -13.378 563 HB3 HIS 69 2HB HIS 69 18.284 -0.229 -14.380 564 HD1 HIS 69 1HD HIS 69 15.466 -2.639 -14.002 565 HD2 HIS 69 2HD HIS 69 18.742 -2.037 -16.485 566 HE1 HIS 69 1HE HIS 69 15.104 -4.158 -15.973 567 HE2 HIS 69 2HE HIS 69 17.141 -3.840 -17.420 568 H SER 70 H SER 70 17.268 -0.967 -10.793 569 HA SER 70 HA SER 70 19.268 0.957 -9.800 570 HB2 SER 70 1HB SER 70 17.123 1.940 -10.833 571 HB3 SER 70 2HB SER 70 16.301 1.315 -9.404 572 HG SER 70 HG SER 70 18.516 3.093 -9.380 573 H ARG 71 H ARG 71 17.987 -1.932 -9.210 574 HA ARG 71 HA ARG 71 17.743 -3.267 -7.385 575 HB2 ARG 71 1HB ARG 71 19.405 -1.091 -6.102 576 HB3 ARG 71 2HB ARG 71 19.068 -2.655 -5.370 577 HG2 ARG 71 1HG ARG 71 20.086 -3.528 -7.653 578 HG3 ARG 71 2HG ARG 71 20.881 -1.953 -7.606 579 HD2 ARG 71 1HD ARG 71 21.353 -2.700 -5.102 580 HD3 ARG 71 2HD ARG 71 21.193 -4.303 -5.818 581 HE ARG 71 HE ARG 71 22.978 -2.505 -7.212 582 HH11 ARG 71 2HH1 ARG 71 22.649 -4.980 -4.786 583 HH12 ARG 71 1HH1 ARG 71 24.315 -5.453 -4.856 584 HH21 ARG 71 2HH2 ARG 71 25.172 -3.118 -7.313 585 HH22 ARG 71 1HH2 ARG 71 25.749 -4.392 -6.293 586 H VAL 72 H VAL 72 15.615 -1.523 -7.923 587 HA VAL 72 HA VAL 72 14.576 -1.085 -5.203 588 HB VAL 72 HB VAL 72 14.087 0.679 -7.607 589 HG11 VAL 72 1HG1 VAL 72 13.078 1.213 -4.838 590 HG12 VAL 72 2HG1 VAL 72 12.535 1.892 -6.373 591 HG13 VAL 72 3HG1 VAL 72 12.150 0.221 -5.962 592 HG21 VAL 72 1HG2 VAL 72 16.283 0.838 -6.255 593 HG22 VAL 72 2HG2 VAL 72 15.378 2.316 -6.578 594 HG23 VAL 72 3HG2 VAL 72 15.272 1.545 -4.995 595 H TYR 73 H TYR 73 12.634 -1.960 -4.789 596 HA TYR 73 HA TYR 73 11.339 -3.455 -6.933 597 HB2 TYR 73 1HB TYR 73 10.955 -3.472 -3.935 598 HB3 TYR 73 2HB TYR 73 10.003 -4.445 -5.050 599 HD1 TYR 73 2HD TYR 73 13.370 -3.926 -3.643 600 HD2 TYR 73 1HD TYR 73 10.897 -6.436 -6.028 601 HE1 TYR 73 2HE TYR 73 15.086 -5.686 -3.561 602 HE2 TYR 73 1HE TYR 73 12.606 -8.203 -5.951 603 HH TYR 73 HH TYR 73 15.100 -8.337 -5.597 604 H THR 74 H THR 74 9.063 -3.352 -7.293 605 HA THR 74 HA THR 74 7.735 -0.924 -6.308 606 HB THR 74 HB THR 74 7.768 -1.790 -9.206 607 HG1 THR 74 1HG THR 74 9.696 -0.711 -8.466 608 HG21 THR 74 1HG2 THR 74 5.746 -0.497 -7.907 609 HG22 THR 74 2HG2 THR 74 6.101 -0.336 -9.627 610 HG23 THR 74 3HG2 THR 74 6.721 0.854 -8.483 611 H PHE 75 H PHE 75 6.113 -1.758 -5.143 612 HA PHE 75 HA PHE 75 4.611 -4.036 -6.223 613 HB2 PHE 75 1HB PHE 75 4.367 -2.872 -3.450 614 HB3 PHE 75 2HB PHE 75 3.837 -4.455 -4.009 615 HD1 PHE 75 2HD PHE 75 6.831 -2.395 -3.316 616 HD2 PHE 75 1HD PHE 75 5.270 -6.307 -3.931 617 HE1 PHE 75 2HE PHE 75 8.977 -3.360 -2.597 618 HE2 PHE 75 1HE PHE 75 7.414 -7.279 -3.213 619 HZ PHE 75 HZ PHE 75 9.271 -5.805 -2.546 620 H GLU 76 H GLU 76 2.525 -3.873 -6.825 621 HA GLU 76 HA GLU 76 1.184 -1.285 -6.388 622 HB2 GLU 76 1HB GLU 76 0.811 -3.060 -8.801 623 HB3 GLU 76 2HB GLU 76 0.188 -1.433 -8.565 624 HG2 GLU 76 1HG GLU 76 2.199 -0.445 -9.000 625 HG3 GLU 76 2HG GLU 76 3.128 -1.847 -8.471 626 H MET 77 H MET 77 -1.228 -1.433 -6.588 627 HA MET 77 HA MET 77 -2.270 -4.041 -5.732 628 HB2 MET 77 1HB MET 77 -1.910 -2.726 -3.706 629 HB3 MET 77 2HB MET 77 -2.838 -1.395 -4.383 630 HG2 MET 77 1HG MET 77 -4.856 -2.545 -4.195 631 HG3 MET 77 2HG MET 77 -4.054 -4.105 -4.019 632 HE1 MET 77 1HE MET 77 -3.946 -0.793 -0.855 633 HE2 MET 77 2HE MET 77 -3.824 -0.611 -2.605 634 HE3 MET 77 3HE MET 77 -5.393 -0.908 -1.856 635 H GLN 78 H GLN 78 -3.444 -4.488 -7.523 636 HA GLN 78 HA GLN 78 -5.103 -2.446 -8.747 637 HB2 GLN 78 1HB GLN 78 -3.747 -4.535 -9.805 638 HB3 GLN 78 2HB GLN 78 -5.344 -5.254 -9.640 639 HG2 GLN 78 1HG GLN 78 -6.292 -3.386 -10.929 640 HG3 GLN 78 2HG GLN 78 -4.669 -2.731 -11.136 641 HE21 GLN 78 1HE2 GLN 78 -3.196 -4.940 -11.667 642 HE22 GLN 78 2HE2 GLN 78 -3.716 -5.667 -13.145 643 H ILE 79 H ILE 79 -7.016 -2.002 -7.887 644 HA ILE 79 HA ILE 79 -8.516 -4.150 -6.557 645 HB ILE 79 HB ILE 79 -8.893 -1.158 -6.384 646 HG12 ILE 79 1HG1 ILE 79 -7.431 -3.163 -4.725 647 HG13 ILE 79 2HG1 ILE 79 -6.994 -1.504 -5.122 648 HG21 ILE 79 1HG2 ILE 79 -10.156 -3.080 -4.496 649 HG22 ILE 79 2HG2 ILE 79 -10.687 -1.476 -4.999 650 HG23 ILE 79 3HG2 ILE 79 -10.886 -2.851 -6.085 651 HD11 ILE 79 1HD1 ILE 79 -7.513 -1.214 -2.944 652 HD12 ILE 79 2HD1 ILE 79 -9.130 -1.011 -3.619 653 HD13 ILE 79 3HD1 ILE 79 -8.655 -2.558 -2.920 654 H ILE 80 H ILE 80 -9.907 -5.132 -7.870 655 HA ILE 80 HA ILE 80 -11.211 -3.622 -10.005 656 HB ILE 80 HB ILE 80 -11.593 -6.560 -9.533 657 HG12 ILE 80 1HG1 ILE 80 -9.633 -6.597 -11.356 658 HG13 ILE 80 2HG1 ILE 80 -9.153 -5.146 -10.484 659 HG21 ILE 80 1HG2 ILE 80 -12.773 -6.376 -11.402 660 HG22 ILE 80 2HG2 ILE 80 -12.371 -4.664 -11.514 661 HG23 ILE 80 3HG2 ILE 80 -11.317 -5.867 -12.255 662 HD11 ILE 80 1HD1 ILE 80 -8.090 -6.501 -9.090 663 HD12 ILE 80 2HD1 ILE 80 -9.678 -6.971 -8.483 664 HD13 ILE 80 3HD1 ILE 80 -8.897 -7.927 -9.742 665 H LYS 81 H LYS 81 -13.441 -3.480 -10.237 666 HA LYS 81 HA LYS 81 -15.536 -3.035 -9.439 667 HB2 LYS 81 1HB LYS 81 -15.224 -5.747 -8.145 668 HB3 LYS 81 2HB LYS 81 -16.728 -4.961 -8.604 669 HG2 LYS 81 1HG LYS 81 -15.714 -5.005 -10.996 670 HG3 LYS 81 2HG LYS 81 -14.670 -6.262 -10.328 671 HD2 LYS 81 1HD LYS 81 -16.853 -7.335 -9.488 672 HD3 LYS 81 2HD LYS 81 -17.656 -6.256 -10.632 673 HE2 LYS 81 1HE LYS 81 -15.375 -7.979 -11.518 674 HE3 LYS 81 2HE LYS 81 -16.997 -8.656 -11.376 675 HZ1 LYS 81 1HZ LYS 81 -16.346 -7.751 -13.621 676 HZ2 LYS 81 2HZ LYS 81 -16.441 -6.206 -12.940 677 HZ3 LYS 81 3HZ LYS 81 -17.815 -7.191 -12.995 678 H ALA 82 H ALA 82 -13.824 -1.667 -7.927 679 HA ALA 82 HA ALA 82 -13.682 -2.177 -5.202 680 HB1 ALA 82 1HB ALA 82 -13.115 0.101 -4.912 681 HB2 ALA 82 2HB ALA 82 -12.493 -0.366 -6.496 682 HB3 ALA 82 3HB ALA 82 -13.978 0.577 -6.375 683 H LYS 83 H LYS 83 -15.338 -2.646 -3.911 684 HA LYS 83 HA LYS 83 -17.955 -1.467 -4.364 685 HB2 LYS 83 1HB LYS 83 -17.277 -3.296 -2.082 686 HB3 LYS 83 2HB LYS 83 -18.811 -3.098 -2.919 687 HG2 LYS 83 1HG LYS 83 -18.119 -4.370 -4.743 688 HG3 LYS 83 2HG LYS 83 -16.412 -4.207 -4.326 689 HD2 LYS 83 1HD LYS 83 -17.049 -5.485 -2.175 690 HD3 LYS 83 2HD LYS 83 -18.510 -5.934 -3.058 691 HE2 LYS 83 1HE LYS 83 -16.963 -6.728 -4.910 692 HE3 LYS 83 2HE LYS 83 -15.649 -6.557 -3.746 693 HZ1 LYS 83 1HZ LYS 83 -16.266 -8.398 -2.668 694 HZ2 LYS 83 2HZ LYS 83 -17.130 -8.777 -4.071 695 HZ3 LYS 83 3HZ LYS 83 -17.917 -8.045 -2.765 696 H ASP 84 H ASP 84 -19.186 -0.654 -2.442 697 HA ASP 84 HA ASP 84 -17.944 1.584 -1.339 698 HB2 ASP 84 1HB ASP 84 -19.960 2.032 -0.324 699 HB3 ASP 84 2HB ASP 84 -20.486 0.891 -1.558 700 H ASN 85 H ASN 85 -17.617 -1.657 -0.475 701 HA ASN 85 HA ASN 85 -17.075 -1.205 2.328 702 HB2 ASN 85 1HB ASN 85 -17.969 -3.328 1.974 703 HB3 ASN 85 2HB ASN 85 -17.019 -3.594 0.515 704 HD21 ASN 85 1HD2 ASN 85 -17.356 -4.469 3.646 705 HD22 ASN 85 2HD2 ASN 85 -15.756 -5.035 3.969 706 H PHE 86 H PHE 86 -15.337 -1.142 -0.627 707 HA PHE 86 HA PHE 86 -12.749 -1.719 0.427 708 HB2 PHE 86 1HB PHE 86 -13.694 -0.433 -2.132 709 HB3 PHE 86 2HB PHE 86 -11.986 -0.630 -1.753 710 HD1 PHE 86 2HD PHE 86 -15.052 -2.758 -1.586 711 HD2 PHE 86 1HD PHE 86 -10.991 -2.394 -2.807 712 HE1 PHE 86 2HE PHE 86 -15.121 -5.046 -2.488 713 HE2 PHE 86 1HE PHE 86 -11.054 -4.682 -3.711 714 HZ PHE 86 HZ PHE 86 -13.121 -6.011 -3.551 715 H ALA 87 H ALA 87 -14.792 0.971 0.613 716 HA ALA 87 HA ALA 87 -12.776 3.006 0.740 717 HB1 ALA 87 1HB ALA 87 -15.644 2.889 0.746 718 HB2 ALA 87 2HB ALA 87 -15.074 3.937 2.045 719 HB3 ALA 87 3HB ALA 87 -14.580 4.248 0.381 720 H GLY 88 H GLY 88 -11.995 4.082 2.562 721 HA2 GLY 88 1HA GLY 88 -12.515 4.161 5.120 722 HA3 GLY 88 2HA GLY 88 -12.069 2.465 5.009 723 H ASN 89 H ASN 89 -10.206 2.439 6.153 724 HA ASN 89 HA ASN 89 -8.059 4.247 5.255 725 HB2 ASN 89 1HB ASN 89 -8.694 4.624 7.593 726 HB3 ASN 89 2HB ASN 89 -8.417 2.922 7.953 727 HD21 ASN 89 1HD2 ASN 89 -6.556 5.268 6.061 728 HD22 ASN 89 2HD2 ASN 89 -5.098 5.106 6.974 729 H TYR 90 H TYR 90 -6.359 3.351 4.295 730 HA TYR 90 HA TYR 90 -6.111 0.432 4.334 731 HB2 TYR 90 1HB TYR 90 -5.154 2.572 2.454 732 HB3 TYR 90 2HB TYR 90 -4.430 0.968 2.430 733 HD1 TYR 90 2HD TYR 90 -7.901 2.365 2.600 734 HD2 TYR 90 1HD TYR 90 -5.236 -0.402 0.770 735 HE1 TYR 90 2HE TYR 90 -9.727 1.569 1.157 736 HE2 TYR 90 1HE TYR 90 -7.055 -1.205 -0.678 737 HH TYR 90 HH TYR 90 -10.359 -0.210 -0.200 738 H ARG 91 H ARG 91 -3.781 -0.376 4.160 739 HA ARG 91 HA ARG 91 -1.826 1.214 5.593 740 HB2 ARG 91 1HB ARG 91 -3.206 0.118 7.365 741 HB3 ARG 91 2HB ARG 91 -2.727 -1.444 6.713 742 HG2 ARG 91 1HG ARG 91 -0.592 -1.280 7.507 743 HG3 ARG 91 2HG ARG 91 -0.597 0.485 7.468 744 HD2 ARG 91 1HD ARG 91 -2.302 0.367 9.348 745 HD3 ARG 91 2HD ARG 91 -1.884 -1.341 9.481 746 HE ARG 91 HE ARG 91 0.475 0.167 9.561 747 HH11 ARG 91 2HH1 ARG 91 -2.371 -0.428 11.475 748 HH12 ARG 91 1HH1 ARG 91 -1.577 -0.126 12.986 749 HH21 ARG 91 2HH2 ARG 91 1.531 0.567 11.543 750 HH22 ARG 91 1HH2 ARG 91 0.642 0.441 13.023 751 H CYS 92 H CYS 92 0.303 0.349 5.488 752 HA CYS 92 HA CYS 92 0.654 -1.961 3.714 753 HB2 CYS 92 1HB CYS 92 2.152 0.648 3.399 754 HB3 CYS 92 2HB CYS 92 2.339 -0.793 2.407 755 HG CYS 92 HG CYS 92 0.568 1.708 1.687 756 H GLU 93 H GLU 93 2.224 -3.323 4.335 757 HA GLU 93 HA GLU 93 4.166 -2.383 6.336 758 HB2 GLU 93 1HB GLU 93 2.469 -4.865 6.384 759 HB3 GLU 93 2HB GLU 93 3.984 -4.780 7.270 760 HG2 GLU 93 1HG GLU 93 3.189 -3.020 8.640 761 HG3 GLU 93 2HG GLU 93 1.770 -2.783 7.623 762 H VAL 94 H VAL 94 6.160 -2.581 5.587 763 HA VAL 94 HA VAL 94 6.795 -4.871 3.844 764 HB VAL 94 HB VAL 94 7.900 -2.072 3.575 765 HG11 VAL 94 1HG1 VAL 94 9.433 -4.031 3.050 766 HG12 VAL 94 2HG1 VAL 94 8.342 -4.385 1.709 767 HG13 VAL 94 3HG1 VAL 94 9.196 -2.843 1.769 768 HG21 VAL 94 1HG2 VAL 94 5.482 -3.093 2.652 769 HG22 VAL 94 2HG2 VAL 94 6.292 -1.627 2.101 770 HG23 VAL 94 3HG2 VAL 94 6.559 -3.152 1.256 771 H THR 95 H THR 95 7.988 -6.180 5.079 772 HA THR 95 HA THR 95 9.982 -5.020 6.891 773 HB THR 95 HB THR 95 9.385 -7.952 6.801 774 HG1 THR 95 1HG THR 95 7.345 -7.406 7.136 775 HG21 THR 95 1HG2 THR 95 11.105 -7.424 8.304 776 HG22 THR 95 2HG2 THR 95 9.671 -7.545 9.323 777 HG23 THR 95 3HG2 THR 95 10.292 -5.962 8.860 778 H TYR 96 H TYR 96 11.800 -4.616 5.753 779 HA TYR 96 HA TYR 96 12.817 -6.682 3.937 780 HB2 TYR 96 1HB TYR 96 12.619 -4.353 3.087 781 HB3 TYR 96 2HB TYR 96 13.776 -3.837 4.308 782 HD1 TYR 96 2HD TYR 96 13.902 -6.942 2.277 783 HD2 TYR 96 1HD TYR 96 15.565 -3.088 2.978 784 HE1 TYR 96 2HE TYR 96 15.750 -7.466 0.741 785 HE2 TYR 96 1HE TYR 96 17.417 -3.601 1.443 786 HH TYR 96 HH TYR 96 17.549 -5.469 -0.721 787 H LYS 97 H LYS 97 15.044 -7.310 4.032 788 HA LYS 97 HA LYS 97 15.946 -8.131 6.498 789 HB2 LYS 97 1HB LYS 97 17.872 -7.463 4.288 790 HB3 LYS 97 2HB LYS 97 17.947 -8.783 5.447 791 HG2 LYS 97 1HG LYS 97 16.320 -8.535 2.962 792 HG3 LYS 97 2HG LYS 97 17.331 -9.871 3.519 793 HD2 LYS 97 1HD LYS 97 15.545 -9.925 5.474 794 HD3 LYS 97 2HD LYS 97 14.532 -9.166 4.243 795 HE2 LYS 97 1HE LYS 97 15.026 -11.021 2.713 796 HE3 LYS 97 2HE LYS 97 16.013 -11.780 3.961 797 HZ1 LYS 97 1HZ LYS 97 13.709 -12.662 3.773 798 HZ2 LYS 97 2HZ LYS 97 13.132 -11.163 4.303 799 HZ3 LYS 97 3HZ LYS 97 14.109 -12.099 5.318 800 H ASP 98 H ASP 98 17.122 -5.319 4.650 801 HA ASP 98 HA ASP 98 18.923 -4.375 6.564 802 HB2 ASP 98 1HB ASP 98 17.431 -3.082 4.306 803 HB3 ASP 98 2HB ASP 98 18.393 -2.094 5.402 804 H LYS 99 H LYS 99 15.876 -2.706 5.808 805 HA LYS 99 HA LYS 99 15.334 -2.456 8.678 806 HB2 LYS 99 1HB LYS 99 15.437 -0.167 6.708 807 HB3 LYS 99 2HB LYS 99 14.734 -0.048 8.316 808 HG2 LYS 99 1HG LYS 99 17.569 -0.930 7.911 809 HG3 LYS 99 2HG LYS 99 17.129 0.778 7.983 810 HD2 LYS 99 1HD LYS 99 15.978 0.234 10.183 811 HD3 LYS 99 2HD LYS 99 16.809 -1.322 10.115 812 HE2 LYS 99 1HE LYS 99 18.319 -0.118 11.339 813 HE3 LYS 99 2HE LYS 99 18.917 0.207 9.712 814 HZ1 LYS 99 1HZ LYS 99 18.804 2.244 10.943 815 HZ2 LYS 99 2HZ LYS 99 17.183 1.979 11.346 816 HZ3 LYS 99 3HZ LYS 99 17.617 2.281 9.739 817 H PHE 100 H PHE 100 13.099 -1.502 9.043 818 HA PHE 100 HA PHE 100 11.261 -2.556 6.996 819 HB2 PHE 100 1HB PHE 100 10.818 -3.942 8.778 820 HB3 PHE 100 2HB PHE 100 11.252 -2.722 9.972 821 HD1 PHE 100 2HD PHE 100 9.641 -0.774 10.310 822 HD2 PHE 100 1HD PHE 100 8.592 -4.350 8.254 823 HE1 PHE 100 2HE PHE 100 7.258 -0.276 10.667 824 HE2 PHE 100 1HE PHE 100 6.207 -3.857 8.606 825 HZ PHE 100 HZ PHE 100 5.538 -1.819 9.815 826 H ASP 101 H ASP 101 9.441 -1.377 6.455 827 HA ASP 101 HA ASP 101 9.070 1.239 7.714 828 HB2 ASP 101 1HB ASP 101 8.858 2.292 5.448 829 HB3 ASP 101 2HB ASP 101 10.491 1.764 5.848 830 H SER 102 H SER 102 6.983 2.081 7.543 831 HA SER 102 HA SER 102 4.976 0.438 6.183 832 HB2 SER 102 1HB SER 102 3.569 0.271 8.113 833 HB3 SER 102 2HB SER 102 5.176 -0.265 8.606 834 HG SER 102 HG SER 102 3.699 1.786 9.548 835 H CYS 103 H CYS 103 3.203 1.552 5.446 836 HA CYS 103 HA CYS 103 2.899 4.362 6.173 837 HB2 CYS 103 1HB CYS 103 2.608 4.794 3.611 838 HB3 CYS 103 2HB CYS 103 4.222 4.763 4.311 839 HG CYS 103 HG CYS 103 4.488 1.948 3.569 840 H SER 104 H SER 104 0.831 5.193 5.828 841 HA SER 104 HA SER 104 -1.192 3.269 4.896 842 HB2 SER 104 1HB SER 104 -2.702 4.133 6.704 843 HB3 SER 104 2HB SER 104 -1.308 3.237 7.306 844 HG SER 104 HG SER 104 -1.809 5.313 8.360 845 H PHE 105 H PHE 105 -2.992 4.134 3.864 846 HA PHE 105 HA PHE 105 -2.962 7.030 3.372 847 HB2 PHE 105 1HB PHE 105 -3.476 6.623 0.993 848 HB3 PHE 105 2HB PHE 105 -1.907 5.967 1.446 849 HD1 PHE 105 2HD PHE 105 -5.381 5.123 0.595 850 HD2 PHE 105 1HD PHE 105 -1.471 3.628 1.364 851 HE1 PHE 105 2HE PHE 105 -6.052 2.926 -0.285 852 HE2 PHE 105 1HE PHE 105 -2.135 1.429 0.484 853 HZ PHE 105 HZ PHE 105 -4.429 1.075 -0.341 854 H ASP 106 H ASP 106 -5.092 7.397 1.839 855 HA ASP 106 HA ASP 106 -7.319 6.083 3.251 856 HB2 ASP 106 1HB ASP 106 -8.542 8.281 3.009 857 HB3 ASP 106 2HB ASP 106 -7.192 8.294 4.141 858 H LEU 107 H LEU 107 -9.032 5.430 2.043 859 HA LEU 107 HA LEU 107 -8.960 6.045 -0.837 860 HB2 LEU 107 1HB LEU 107 -8.186 3.739 -0.287 861 HB3 LEU 107 2HB LEU 107 -9.781 3.418 0.391 862 HG LEU 107 HG LEU 107 -9.343 2.535 -1.938 863 HD11 LEU 107 1HD1 LEU 107 -11.635 3.671 -0.775 864 HD12 LEU 107 2HD1 LEU 107 -11.554 2.457 -2.051 865 HD13 LEU 107 3HD1 LEU 107 -11.631 4.168 -2.467 866 HD21 LEU 107 1HD2 LEU 107 -9.438 4.043 -3.787 867 HD22 LEU 107 2HD2 LEU 107 -8.153 4.592 -2.710 868 HD23 LEU 107 3HD2 LEU 107 -9.711 5.422 -2.721 869 H GLU 108 H GLU 108 -10.848 6.615 -1.775 870 HA GLU 108 HA GLU 108 -13.266 6.512 -0.093 871 HB2 GLU 108 1HB GLU 108 -12.202 8.665 -1.887 872 HB3 GLU 108 2HB GLU 108 -13.931 8.544 -1.595 873 HG2 GLU 108 1HG GLU 108 -13.702 9.005 0.680 874 HG3 GLU 108 2HG GLU 108 -11.975 8.652 0.669 875 H VAL 109 H VAL 109 -15.221 5.998 -1.067 876 HA VAL 109 HA VAL 109 -15.042 4.996 -3.834 877 HB VAL 109 HB VAL 109 -16.759 3.781 -1.670 878 HG11 VAL 109 1HG1 VAL 109 -17.295 2.113 -3.196 879 HG12 VAL 109 2HG1 VAL 109 -17.306 3.574 -4.186 880 HG13 VAL 109 3HG1 VAL 109 -15.920 2.484 -4.236 881 HG21 VAL 109 1HG2 VAL 109 -14.136 3.639 -1.488 882 HG22 VAL 109 2HG2 VAL 109 -15.147 2.229 -1.172 883 HG23 VAL 109 3HG2 VAL 109 -14.341 2.405 -2.731 884 H HIS 110 H HIS 110 -16.356 6.025 -5.176 885 HA HIS 110 HA HIS 110 -18.693 7.425 -4.079 886 HB2 HIS 110 1HB HIS 110 -17.073 7.837 -6.589 887 HB3 HIS 110 2HB HIS 110 -18.636 8.611 -6.341 888 HD1 HIS 110 1HD HIS 110 -17.458 10.937 -6.379 889 HD2 HIS 110 2HD HIS 110 -16.269 8.445 -3.274 890 HE1 HIS 110 1HE HIS 110 -16.222 12.417 -4.765 891 HE2 HIS 110 2HE HIS 110 -15.438 10.871 -2.937 892 H GLU 111 H GLU 111 -20.736 7.153 -4.944 893 HA GLU 111 HA GLU 111 -21.316 4.592 -6.020 894 HB2 GLU 111 1HB GLU 111 -23.013 7.056 -5.623 895 HB3 GLU 111 2HB GLU 111 -23.654 5.541 -6.242 896 HG2 GLU 111 1HG GLU 111 -22.553 4.561 -4.070 897 HG3 GLU 111 2HG GLU 111 -22.703 6.226 -3.511 898 H SER 112 H SER 112 -21.198 3.949 -8.057 899 HA SER 112 HA SER 112 -20.582 5.708 -10.189 900 HB2 SER 112 1HB SER 112 -19.786 3.459 -10.331 901 HB3 SER 112 2HB SER 112 -21.410 2.802 -10.130 902 HG SER 112 HG SER 112 -21.477 2.827 -12.223 903 H THR 113 H THR 113 -21.824 6.629 -11.732 904 HA THR 113 HA THR 113 -24.521 7.149 -11.262 905 HB THR 113 HB THR 113 -24.598 8.019 -13.586 906 HG1 THR 113 1HG THR 113 -22.510 7.941 -14.717 907 HG21 THR 113 1HG2 THR 113 -22.594 9.611 -13.293 908 HG22 THR 113 2HG2 THR 113 -22.309 8.745 -11.783 909 HG23 THR 113 3HG2 THR 113 -23.832 9.597 -12.038 910 H GLY 114 H GLY 114 -26.417 6.278 -11.971 911 HA2 GLY 114 1HA GLY 114 -26.234 3.883 -13.687 912 HA3 GLY 114 2HA GLY 114 -27.188 3.869 -12.211 913 H THR 115 H THR 115 -28.766 5.852 -12.125 914 HA THR 115 HA THR 115 -30.298 5.739 -14.619 915 HB THR 115 HB THR 115 -31.422 5.096 -12.488 916 HG1 THR 115 1HG THR 115 -32.627 7.458 -13.478 917 HG21 THR 115 1HG2 THR 115 -32.070 6.865 -10.918 918 HG22 THR 115 2HG2 THR 115 -31.109 8.029 -11.832 919 HG23 THR 115 3HG2 THR 115 -30.317 6.692 -10.999 920 H THR 116 H THR 116 -31.269 7.640 -15.497 921 HA THR 116 HA THR 116 -29.720 9.722 -16.125 922 HB THR 116 HB THR 116 -31.800 11.162 -16.287 923 HG1 THR 116 1HG THR 116 -33.242 8.823 -15.635 924 HG21 THR 116 1HG2 THR 116 -32.106 8.405 -17.472 925 HG22 THR 116 2HG2 THR 116 -30.970 9.609 -18.079 926 HG23 THR 116 3HG2 THR 116 -32.703 9.930 -18.125 927 HA PRO 117 HA PRO 117 -28.812 12.123 -12.552 928 HB2 PRO 117 1HB PRO 117 -28.306 14.514 -13.733 929 HB3 PRO 117 2HB PRO 117 -27.195 13.142 -13.826 930 HG2 PRO 117 1HG PRO 117 -29.196 14.099 -15.836 931 HG3 PRO 117 2HG PRO 117 -27.531 13.547 -16.091 932 HD2 PRO 117 1HD PRO 117 -29.678 11.963 -16.555 933 HD3 PRO 117 2HD PRO 117 -28.121 11.321 -15.994 934 H ASN 118 H ASN 118 -29.772 13.539 -11.131 935 HA ASN 118 HA ASN 118 -32.449 14.461 -11.876 936 HB2 ASN 118 1HB ASN 118 -31.197 14.313 -9.126 937 HB3 ASN 118 2HB ASN 118 -32.893 14.610 -9.496 938 HD21 ASN 118 1HD2 ASN 118 -34.080 12.886 -10.547 939 HD22 ASN 118 2HD2 ASN 118 -33.651 11.245 -10.218 940 H ILE 119 H ILE 119 -33.122 16.544 -10.663 941 HA ILE 119 HA ILE 119 -31.980 18.737 -11.758 942 HB ILE 119 HB ILE 119 -33.203 18.622 -8.999 943 HG12 ILE 119 1HG1 ILE 119 -34.568 19.469 -11.543 944 HG13 ILE 119 2HG1 ILE 119 -34.520 17.778 -11.056 945 HG21 ILE 119 1HG2 ILE 119 -33.157 20.867 -8.881 946 HG22 ILE 119 2HG2 ILE 119 -31.824 20.714 -10.024 947 HG23 ILE 119 3HG2 ILE 119 -33.450 21.067 -10.608 948 HD11 ILE 119 1HD1 ILE 119 -35.366 19.345 -8.838 949 HD12 ILE 119 2HD1 ILE 119 -36.327 19.778 -10.252 950 HD13 ILE 119 3HD1 ILE 119 -36.247 18.099 -9.722 951 H ASP 120 H ASP 120 -30.072 19.703 -11.648 952 HA ASP 120 HA ASP 120 -28.388 19.222 -9.282 953 HB2 ASP 120 1HB ASP 120 -27.720 19.671 -12.179 954 HB3 ASP 120 2HB ASP 120 -26.523 19.961 -10.920 955 H SER 121 H SER 121 -26.650 21.074 -9.110 956 HA SER 121 HA SER 121 -27.788 23.701 -9.642 957 HB2 SER 121 1HB SER 121 -27.549 24.404 -7.277 958 HB3 SER 121 2HB SER 121 -28.755 23.132 -7.474 959 HG SER 121 HG SER 121 -27.348 21.665 -6.624 960 H GLY 122 H GLY 122 -26.179 24.756 -10.591 961 HA2 GLY 122 1HA GLY 122 -23.928 25.745 -9.597 962 HA3 GLY 122 2HA GLY 122 -23.414 24.098 -9.931 963 HA PRO 123 HA PRO 123 -23.130 26.958 -13.729 964 HB2 PRO 123 1HB PRO 123 -20.442 27.340 -13.739 965 HB3 PRO 123 2HB PRO 123 -21.563 28.424 -12.907 966 HG2 PRO 123 1HG PRO 123 -19.887 26.209 -11.789 967 HG3 PRO 123 2HG PRO 123 -20.180 27.831 -11.134 968 HD2 PRO 123 1HD PRO 123 -21.475 25.635 -10.220 969 HD3 PRO 123 2HD PRO 123 -22.227 27.243 -10.254 970 H SER 124 H SER 124 -22.029 26.411 -15.742 971 HA SER 124 HA SER 124 -20.792 23.754 -15.794 972 HB2 SER 124 1HB SER 124 -23.235 23.515 -16.271 973 HB3 SER 124 2HB SER 124 -23.025 24.573 -17.666 974 HG SER 124 HG SER 124 -22.921 22.246 -18.082 975 H SER 125 H SER 125 -19.951 23.277 -18.077 976 HA SER 125 HA SER 125 -19.214 25.639 -19.598 977 HB2 SER 125 1HB SER 125 -17.201 23.938 -18.124 978 HB3 SER 125 2HB SER 125 -16.762 24.951 -19.500 979 HG SER 125 HG SER 125 -17.789 25.749 -16.988 980 H GLY 126 H GLY 126 -18.573 25.191 -21.709 981 HA2 GLY 126 1HA GLY 126 -18.168 23.908 -23.598 982 HA3 GLY 126 2HA GLY 126 -18.120 22.478 -22.577 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 2.058 9.207 15.404 2 HA2 GLY 1 1HA GLY 1 3.386 10.099 12.936 3 HA3 GLY 1 2HA GLY 1 2.207 11.025 13.852 4 H SER 2 H SER 2 5.202 9.362 14.818 5 HA SER 2 HA SER 2 6.001 11.752 16.283 6 HB2 SER 2 1HB SER 2 7.649 10.352 17.356 7 HB3 SER 2 2HB SER 2 6.116 9.481 17.340 8 HG SER 2 HG SER 2 6.918 8.405 15.425 9 H SER 3 H SER 3 8.214 12.551 16.134 10 HA SER 3 HA SER 3 9.248 12.338 13.383 11 HB2 SER 3 1HB SER 3 8.949 14.632 15.258 12 HB3 SER 3 2HB SER 3 10.358 14.630 14.198 13 HG SER 3 HG SER 3 7.876 14.055 13.062 14 H GLY 4 H GLY 4 11.015 11.125 13.273 15 HA2 GLY 4 1HA GLY 4 13.460 11.627 14.290 16 HA3 GLY 4 2HA GLY 4 12.700 10.728 15.595 17 H SER 5 H SER 5 12.630 10.385 12.049 18 HA SER 5 HA SER 5 13.536 7.603 12.415 19 HB2 SER 5 1HB SER 5 11.633 8.710 10.336 20 HB3 SER 5 2HB SER 5 12.232 7.051 10.372 21 HG SER 5 HG SER 5 10.235 8.200 11.810 22 H SER 6 H SER 6 15.435 7.151 11.536 23 HA SER 6 HA SER 6 16.378 8.815 9.292 24 HB2 SER 6 1HB SER 6 18.674 8.447 10.126 25 HB3 SER 6 2HB SER 6 17.669 9.264 11.323 26 HG SER 6 HG SER 6 17.299 7.016 12.135 27 H GLY 7 H GLY 7 17.811 7.766 7.767 28 HA2 GLY 7 1HA GLY 7 18.353 6.062 6.328 29 HA3 GLY 7 2HA GLY 7 18.364 5.018 7.742 30 H ILE 8 H ILE 8 15.942 6.715 5.745 31 HA ILE 8 HA ILE 8 14.089 4.507 6.110 32 HB ILE 8 HB ILE 8 13.298 6.862 6.200 33 HG12 ILE 8 1HG1 ILE 8 12.046 5.419 3.866 34 HG13 ILE 8 2HG1 ILE 8 11.872 4.851 5.523 35 HG21 ILE 8 1HG2 ILE 8 14.283 6.832 3.379 36 HG22 ILE 8 2HG2 ILE 8 12.938 7.876 3.837 37 HG23 ILE 8 3HG2 ILE 8 14.502 8.056 4.630 38 HD11 ILE 8 1HD1 ILE 8 9.984 6.241 4.636 39 HD12 ILE 8 2HD1 ILE 8 10.689 6.798 6.154 40 HD13 ILE 8 3HD1 ILE 8 11.091 7.614 4.643 41 H LEU 9 H LEU 9 13.224 3.261 4.434 42 HA LEU 9 HA LEU 9 14.915 3.138 2.031 43 HB2 LEU 9 1HB LEU 9 13.182 1.021 3.297 44 HB3 LEU 9 2HB LEU 9 14.121 0.814 1.820 45 HG LEU 9 HG LEU 9 15.213 1.262 4.597 46 HD11 LEU 9 1HD1 LEU 9 16.268 -1.052 3.772 47 HD12 LEU 9 2HD1 LEU 9 14.733 -1.112 2.906 48 HD13 LEU 9 3HD1 LEU 9 14.748 -0.949 4.662 49 HD21 LEU 9 1HD2 LEU 9 17.387 0.660 3.311 50 HD22 LEU 9 2HD2 LEU 9 16.782 2.316 3.268 51 HD23 LEU 9 3HD2 LEU 9 16.501 1.238 1.900 52 H PHE 10 H PHE 10 11.542 2.473 2.993 53 HA PHE 10 HA PHE 10 10.265 2.275 0.648 54 HB2 PHE 10 1HB PHE 10 9.394 2.638 3.151 55 HB3 PHE 10 2HB PHE 10 9.033 4.238 2.513 56 HD1 PHE 10 2HD PHE 10 8.682 0.694 1.386 57 HD2 PHE 10 1HD PHE 10 6.893 4.537 1.771 58 HE1 PHE 10 2HE PHE 10 6.608 -0.176 0.390 59 HE2 PHE 10 1HE PHE 10 4.815 3.673 0.777 60 HZ PHE 10 HZ PHE 10 4.671 1.314 0.083 61 H ILE 11 H ILE 11 10.894 3.327 -1.153 62 HA ILE 11 HA ILE 11 11.608 6.086 -1.203 63 HB ILE 11 HB ILE 11 11.025 4.114 -3.407 64 HG12 ILE 11 1HG1 ILE 11 13.086 3.665 -2.240 65 HG13 ILE 11 2HG1 ILE 11 13.483 4.379 -3.799 66 HG21 ILE 11 1HG2 ILE 11 10.454 6.112 -4.441 67 HG22 ILE 11 2HG2 ILE 11 11.659 7.035 -3.546 68 HG23 ILE 11 3HG2 ILE 11 12.165 5.942 -4.834 69 HD11 ILE 11 1HD1 ILE 11 14.852 5.655 -2.571 70 HD12 ILE 11 2HD1 ILE 11 13.388 6.586 -2.251 71 HD13 ILE 11 3HD1 ILE 11 13.943 5.384 -1.085 72 H GLU 12 H GLU 12 9.069 4.566 -3.174 73 HA GLU 12 HA GLU 12 7.499 7.019 -2.952 74 HB2 GLU 12 1HB GLU 12 8.053 5.632 -5.138 75 HB3 GLU 12 2HB GLU 12 6.643 4.709 -4.637 76 HG2 GLU 12 1HG GLU 12 5.845 6.325 -6.133 77 HG3 GLU 12 2HG GLU 12 5.402 6.905 -4.528 78 H LYS 13 H LYS 13 5.161 6.871 -2.622 79 HA LYS 13 HA LYS 13 4.382 4.578 -0.947 80 HB2 LYS 13 1HB LYS 13 3.838 7.504 -0.416 81 HB3 LYS 13 2HB LYS 13 3.102 6.180 0.477 82 HG2 LYS 13 1HG LYS 13 5.167 5.534 1.417 83 HG3 LYS 13 2HG LYS 13 6.077 6.554 0.300 84 HD2 LYS 13 1HD LYS 13 4.101 7.681 2.269 85 HD3 LYS 13 2HD LYS 13 5.798 7.416 2.678 86 HE2 LYS 13 1HE LYS 13 4.894 9.048 0.314 87 HE3 LYS 13 2HE LYS 13 5.214 9.740 1.904 88 HZ1 LYS 13 1HZ LYS 13 7.163 8.298 0.188 89 HZ2 LYS 13 2HZ LYS 13 7.485 8.858 1.751 90 HZ3 LYS 13 3HZ LYS 13 7.145 9.959 0.512 91 HA PRO 14 HA PRO 14 0.787 4.316 -3.460 92 HB2 PRO 14 1HB PRO 14 -0.956 3.210 -1.697 93 HB3 PRO 14 2HB PRO 14 0.375 2.306 -2.428 94 HG2 PRO 14 1HG PRO 14 0.209 3.579 0.276 95 HG3 PRO 14 2HG PRO 14 0.861 1.993 -0.175 96 HD2 PRO 14 1HD PRO 14 2.444 4.141 0.284 97 HD3 PRO 14 2HD PRO 14 2.863 2.879 -0.893 98 H GLN 15 H GLN 15 0.523 6.653 -3.609 99 HA GLN 15 HA GLN 15 -0.812 8.249 -1.764 100 HB2 GLN 15 1HB GLN 15 -0.740 8.426 -4.778 101 HB3 GLN 15 2HB GLN 15 -1.385 9.687 -3.736 102 HG2 GLN 15 1HG GLN 15 1.439 8.794 -4.098 103 HG3 GLN 15 2HG GLN 15 0.758 10.419 -4.173 104 HE21 GLN 15 1HE2 GLN 15 2.263 8.079 -2.233 105 HE22 GLN 15 2HE2 GLN 15 2.213 8.940 -0.736 106 H GLY 16 H GLY 16 -2.706 7.733 -0.862 107 HA2 GLY 16 1HA GLY 16 -4.685 6.098 -1.926 108 HA3 GLY 16 2HA GLY 16 -4.950 7.291 -0.664 109 H GLY 17 H GLY 17 -6.892 6.653 -2.566 110 HA2 GLY 17 1HA GLY 17 -7.343 9.286 -3.685 111 HA3 GLY 17 2HA GLY 17 -7.145 8.012 -4.879 112 H THR 18 H THR 18 -9.323 8.532 -5.542 113 HA THR 18 HA THR 18 -11.306 7.130 -3.887 114 HB THR 18 HB THR 18 -11.839 9.731 -5.336 115 HG1 THR 18 1HG THR 18 -11.534 10.692 -3.457 116 HG21 THR 18 1HG2 THR 18 -13.690 8.477 -3.358 117 HG22 THR 18 2HG2 THR 18 -13.671 7.877 -5.016 118 HG23 THR 18 3HG2 THR 18 -14.047 9.569 -4.695 119 H VAL 19 H VAL 19 -12.028 5.457 -5.014 120 HA VAL 19 HA VAL 19 -12.229 5.700 -7.943 121 HB VAL 19 HB VAL 19 -10.680 3.945 -7.163 122 HG11 VAL 19 1HG1 VAL 19 -12.028 3.490 -5.059 123 HG12 VAL 19 2HG1 VAL 19 -13.074 2.493 -6.072 124 HG13 VAL 19 3HG1 VAL 19 -11.367 2.085 -5.895 125 HG21 VAL 19 1HG2 VAL 19 -11.227 2.922 -9.055 126 HG22 VAL 19 2HG2 VAL 19 -12.558 2.105 -8.235 127 HG23 VAL 19 3HG2 VAL 19 -12.823 3.669 -9.006 128 H LYS 20 H LYS 20 -14.100 5.116 -8.989 129 HA LYS 20 HA LYS 20 -16.518 5.299 -7.474 130 HB2 LYS 20 1HB LYS 20 -16.094 6.151 -9.854 131 HB3 LYS 20 2HB LYS 20 -16.319 4.484 -10.368 132 HG2 LYS 20 1HG LYS 20 -18.389 5.588 -10.663 133 HG3 LYS 20 2HG LYS 20 -18.563 4.542 -9.252 134 HD2 LYS 20 1HD LYS 20 -19.558 6.602 -8.660 135 HD3 LYS 20 2HD LYS 20 -17.992 6.571 -7.846 136 HE2 LYS 20 1HE LYS 20 -17.905 8.671 -8.725 137 HE3 LYS 20 2HE LYS 20 -17.228 7.772 -10.082 138 HZ1 LYS 20 1HZ LYS 20 -19.584 7.659 -10.942 139 HZ2 LYS 20 2HZ LYS 20 -18.844 9.179 -10.992 140 HZ3 LYS 20 3HZ LYS 20 -19.976 8.829 -9.784 141 H VAL 21 H VAL 21 -18.241 3.735 -7.465 142 HA VAL 21 HA VAL 21 -17.400 1.150 -6.731 143 HB VAL 21 HB VAL 21 -20.135 2.240 -7.377 144 HG11 VAL 21 1HG1 VAL 21 -20.453 -0.066 -5.854 145 HG12 VAL 21 2HG1 VAL 21 -20.863 0.144 -7.558 146 HG13 VAL 21 3HG1 VAL 21 -19.289 -0.509 -7.102 147 HG21 VAL 21 1HG2 VAL 21 -18.608 1.703 -4.849 148 HG22 VAL 21 2HG2 VAL 21 -19.356 3.206 -5.388 149 HG23 VAL 21 3HG2 VAL 21 -20.365 1.860 -4.858 150 H GLY 22 H GLY 22 -16.865 -0.535 -7.949 151 HA2 GLY 22 1HA GLY 22 -17.277 -2.140 -9.640 152 HA3 GLY 22 2HA GLY 22 -18.220 -0.943 -10.513 153 H GLU 23 H GLU 23 -15.824 0.936 -9.843 154 HA GLU 23 HA GLU 23 -14.527 0.562 -12.372 155 HB2 GLU 23 1HB GLU 23 -14.499 2.587 -10.217 156 HB3 GLU 23 2HB GLU 23 -13.019 2.452 -11.156 157 HG2 GLU 23 1HG GLU 23 -15.760 3.226 -12.063 158 HG3 GLU 23 2HG GLU 23 -14.235 4.089 -12.259 159 H ASP 24 H ASP 24 -11.945 1.082 -12.128 160 HA ASP 24 HA ASP 24 -10.844 -0.913 -10.269 161 HB2 ASP 24 1HB ASP 24 -9.399 -1.805 -11.993 162 HB3 ASP 24 2HB ASP 24 -11.069 -1.894 -12.546 163 H ILE 25 H ILE 25 -9.323 -0.054 -9.033 164 HA ILE 25 HA ILE 25 -7.763 2.213 -10.092 165 HB ILE 25 HB ILE 25 -9.236 3.013 -8.350 166 HG12 ILE 25 1HG1 ILE 25 -6.559 2.772 -7.005 167 HG13 ILE 25 2HG1 ILE 25 -6.728 3.681 -8.503 168 HG21 ILE 25 1HG2 ILE 25 -8.023 0.845 -6.642 169 HG22 ILE 25 2HG2 ILE 25 -9.068 2.133 -6.044 170 HG23 ILE 25 3HG2 ILE 25 -9.695 0.950 -7.191 171 HD11 ILE 25 1HD1 ILE 25 -7.543 5.430 -7.421 172 HD12 ILE 25 2HD1 ILE 25 -8.754 4.440 -6.606 173 HD13 ILE 25 3HD1 ILE 25 -7.139 4.603 -5.917 174 H THR 26 H THR 26 -5.584 2.409 -9.338 175 HA THR 26 HA THR 26 -4.438 0.009 -8.103 176 HB THR 26 HB THR 26 -3.116 1.273 -10.496 177 HG1 THR 26 1HG THR 26 -5.130 -0.699 -10.381 178 HG21 THR 26 1HG2 THR 26 -1.947 -0.894 -10.586 179 HG22 THR 26 2HG2 THR 26 -2.825 -1.415 -9.148 180 HG23 THR 26 3HG2 THR 26 -1.690 -0.070 -9.050 181 H PHE 27 H PHE 27 -2.685 0.374 -6.809 182 HA PHE 27 HA PHE 27 -1.892 3.190 -6.476 183 HB2 PHE 27 1HB PHE 27 -1.809 0.954 -4.440 184 HB3 PHE 27 2HB PHE 27 -1.358 2.630 -4.150 185 HD1 PHE 27 2HD PHE 27 -3.065 4.379 -4.059 186 HD2 PHE 27 1HD PHE 27 -4.099 0.277 -4.529 187 HE1 PHE 27 2HE PHE 27 -5.388 4.897 -3.437 188 HE2 PHE 27 1HE PHE 27 -6.424 0.788 -3.908 189 HZ PHE 27 HZ PHE 27 -7.071 3.100 -3.360 190 H ILE 28 H ILE 28 0.310 3.661 -6.004 191 HA ILE 28 HA ILE 28 2.173 1.593 -6.973 192 HB ILE 28 HB ILE 28 2.387 4.596 -7.197 193 HG12 ILE 28 1HG1 ILE 28 0.853 3.650 -8.822 194 HG13 ILE 28 2HG1 ILE 28 2.340 4.124 -9.635 195 HG21 ILE 28 1HG2 ILE 28 4.459 2.740 -6.989 196 HG22 ILE 28 2HG2 ILE 28 4.333 3.105 -8.709 197 HG23 ILE 28 3HG2 ILE 28 4.574 4.409 -7.547 198 HD11 ILE 28 1HD1 ILE 28 1.724 2.041 -10.533 199 HD12 ILE 28 2HD1 ILE 28 3.063 1.716 -9.432 200 HD13 ILE 28 3HD1 ILE 28 1.408 1.359 -8.938 201 H ALA 29 H ALA 29 3.870 1.035 -5.734 202 HA ALA 29 HA ALA 29 4.666 2.741 -3.503 203 HB1 ALA 29 1HB ALA 29 2.941 1.240 -2.596 204 HB2 ALA 29 2HB ALA 29 3.902 -0.149 -3.105 205 HB3 ALA 29 3HB ALA 29 4.525 0.952 -1.876 206 H LYS 30 H LYS 30 6.778 2.996 -3.764 207 HA LYS 30 HA LYS 30 8.365 0.750 -4.808 208 HB2 LYS 30 1HB LYS 30 8.569 3.705 -5.066 209 HB3 LYS 30 2HB LYS 30 10.074 2.797 -5.012 210 HG2 LYS 30 1HG LYS 30 9.708 1.797 -7.027 211 HG3 LYS 30 2HG LYS 30 7.952 1.867 -6.868 212 HD2 LYS 30 1HD LYS 30 9.462 4.423 -7.104 213 HD3 LYS 30 2HD LYS 30 9.244 3.436 -8.551 214 HE2 LYS 30 1HE LYS 30 6.793 3.411 -8.064 215 HE3 LYS 30 2HE LYS 30 7.093 4.562 -6.763 216 HZ1 LYS 30 1HZ LYS 30 6.739 6.076 -8.352 217 HZ2 LYS 30 2HZ LYS 30 7.013 4.987 -9.617 218 HZ3 LYS 30 3HZ LYS 30 8.321 5.733 -8.845 219 H VAL 31 H VAL 31 10.397 0.268 -3.854 220 HA VAL 31 HA VAL 31 10.908 1.427 -1.212 221 HB VAL 31 HB VAL 31 9.604 -0.582 -0.765 222 HG11 VAL 31 1HG1 VAL 31 11.750 -2.065 -2.280 223 HG12 VAL 31 2HG1 VAL 31 10.388 -2.790 -1.424 224 HG13 VAL 31 3HG1 VAL 31 10.104 -1.782 -2.844 225 HG21 VAL 31 1HG2 VAL 31 12.298 -1.548 -0.050 226 HG22 VAL 31 2HG2 VAL 31 11.914 0.103 0.436 227 HG23 VAL 31 3HG2 VAL 31 10.896 -1.234 0.972 228 H LYS 32 H LYS 32 13.012 1.758 -0.809 229 HA LYS 32 HA LYS 32 14.928 1.223 -2.873 230 HB2 LYS 32 1HB LYS 32 14.821 3.266 -1.313 231 HB3 LYS 32 2HB LYS 32 15.578 2.228 -0.111 232 HG2 LYS 32 1HG LYS 32 17.374 3.335 -1.054 233 HG3 LYS 32 2HG LYS 32 17.357 1.799 -1.925 234 HD2 LYS 32 1HD LYS 32 15.791 3.180 -3.563 235 HD3 LYS 32 2HD LYS 32 16.683 4.536 -2.870 236 HE2 LYS 32 1HE LYS 32 18.215 2.164 -3.805 237 HE3 LYS 32 2HE LYS 32 17.543 3.253 -5.017 238 HZ1 LYS 32 1HZ LYS 32 19.237 4.171 -2.763 239 HZ2 LYS 32 2HZ LYS 32 18.759 5.060 -4.120 240 HZ3 LYS 32 3HZ LYS 32 19.853 3.781 -4.290 241 H ALA 33 H ALA 33 16.026 -0.599 -3.112 242 HA ALA 33 HA ALA 33 16.565 -2.242 -0.723 243 HB1 ALA 33 1HB ALA 33 15.987 -4.140 -1.805 244 HB2 ALA 33 2HB ALA 33 15.002 -3.026 -2.754 245 HB3 ALA 33 3HB ALA 33 16.568 -3.559 -3.366 246 H GLU 34 H GLU 34 18.583 -3.238 -0.547 247 HA GLU 34 HA GLU 34 20.622 -2.339 -2.473 248 HB2 GLU 34 1HB GLU 34 21.045 -2.562 0.509 249 HB3 GLU 34 2HB GLU 34 22.179 -1.937 -0.680 250 HG2 GLU 34 1HG GLU 34 20.756 -0.039 -1.103 251 HG3 GLU 34 2HG GLU 34 19.523 -0.685 -0.022 252 H ASP 35 H ASP 35 19.372 -4.786 -2.697 253 HA ASP 35 HA ASP 35 21.586 -6.557 -2.660 254 HB2 ASP 35 1HB ASP 35 20.707 -6.521 -0.216 255 HB3 ASP 35 2HB ASP 35 19.370 -7.476 -0.851 256 H LEU 36 H LEU 36 21.044 -8.686 -3.550 257 HA LEU 36 HA LEU 36 18.568 -8.585 -5.145 258 HB2 LEU 36 1HB LEU 36 21.008 -10.125 -5.948 259 HB3 LEU 36 2HB LEU 36 19.668 -9.573 -6.951 260 HG LEU 36 HG LEU 36 21.956 -7.952 -5.858 261 HD11 LEU 36 1HD1 LEU 36 20.997 -8.702 -8.605 262 HD12 LEU 36 2HD1 LEU 36 22.562 -9.029 -7.862 263 HD13 LEU 36 3HD1 LEU 36 22.131 -7.381 -8.319 264 HD21 LEU 36 1HD2 LEU 36 20.661 -6.153 -5.806 265 HD22 LEU 36 2HD2 LEU 36 19.265 -7.104 -6.314 266 HD23 LEU 36 3HD2 LEU 36 20.321 -6.372 -7.523 267 H LEU 37 H LEU 37 20.631 -10.500 -3.099 268 HA LEU 37 HA LEU 37 19.369 -13.006 -3.572 269 HB2 LEU 37 1HB LEU 37 21.065 -11.983 -1.306 270 HB3 LEU 37 2HB LEU 37 20.474 -13.641 -1.401 271 HG LEU 37 HG LEU 37 21.832 -14.123 -3.270 272 HD11 LEU 37 1HD1 LEU 37 23.162 -12.424 -4.434 273 HD12 LEU 37 2HD1 LEU 37 22.426 -11.172 -3.435 274 HD13 LEU 37 3HD1 LEU 37 21.432 -12.103 -4.554 275 HD21 LEU 37 1HD2 LEU 37 23.457 -12.361 -1.439 276 HD22 LEU 37 2HD2 LEU 37 24.071 -13.653 -2.471 277 HD23 LEU 37 3HD2 LEU 37 23.012 -14.036 -1.113 278 H ARG 38 H ARG 38 18.680 -10.284 -1.529 279 HA ARG 38 HA ARG 38 16.509 -11.797 -0.237 280 HB2 ARG 38 1HB ARG 38 17.522 -9.133 0.716 281 HB3 ARG 38 2HB ARG 38 16.636 -10.357 1.614 282 HG2 ARG 38 1HG ARG 38 19.359 -10.973 0.560 283 HG3 ARG 38 2HG ARG 38 19.174 -10.019 2.033 284 HD2 ARG 38 1HD ARG 38 18.132 -11.769 3.176 285 HD3 ARG 38 2HD ARG 38 17.745 -12.631 1.687 286 HE ARG 38 HE ARG 38 20.418 -12.673 1.657 287 HH11 ARG 38 2HH1 ARG 38 18.130 -13.399 4.179 288 HH12 ARG 38 1HH1 ARG 38 19.152 -14.567 4.949 289 HH21 ARG 38 2HH2 ARG 38 21.772 -14.208 2.662 290 HH22 ARG 38 1HH2 ARG 38 21.224 -15.026 4.086 291 H LYS 39 H LYS 39 14.429 -11.124 -0.422 292 HA LYS 39 HA LYS 39 13.933 -8.662 -1.961 293 HB2 LYS 39 1HB LYS 39 13.500 -10.388 -3.510 294 HB3 LYS 39 2HB LYS 39 12.720 -11.395 -2.298 295 HG2 LYS 39 1HG LYS 39 10.916 -9.628 -2.180 296 HG3 LYS 39 2HG LYS 39 11.647 -8.923 -3.623 297 HD2 LYS 39 1HD LYS 39 10.790 -11.804 -3.469 298 HD3 LYS 39 2HD LYS 39 9.713 -10.513 -4.008 299 HE2 LYS 39 1HE LYS 39 11.328 -9.935 -5.772 300 HE3 LYS 39 2HE LYS 39 12.360 -11.265 -5.247 301 HZ1 LYS 39 1HZ LYS 39 10.726 -12.834 -5.885 302 HZ2 LYS 39 2HZ LYS 39 10.893 -11.764 -7.184 303 HZ3 LYS 39 3HZ LYS 39 9.560 -11.638 -6.150 304 HA PRO 40 HA PRO 40 11.447 -7.669 1.577 305 HB2 PRO 40 1HB PRO 40 10.359 -5.397 0.564 306 HB3 PRO 40 2HB PRO 40 12.020 -5.482 1.163 307 HG2 PRO 40 1HG PRO 40 11.013 -5.614 -1.653 308 HG3 PRO 40 2HG PRO 40 12.408 -4.734 -1.004 309 HD2 PRO 40 1HD PRO 40 12.652 -7.099 -2.299 310 HD3 PRO 40 2HD PRO 40 13.744 -6.612 -0.987 311 H THR 41 H THR 41 9.176 -7.330 2.094 312 HA THR 41 HA THR 41 7.317 -8.235 0.003 313 HB THR 41 HB THR 41 7.375 -9.258 2.849 314 HG1 THR 41 1HG THR 41 8.123 -11.120 1.978 315 HG21 THR 41 1HG2 THR 41 5.261 -9.138 0.883 316 HG22 THR 41 2HG2 THR 41 5.201 -9.674 2.563 317 HG23 THR 41 3HG2 THR 41 5.652 -10.808 1.290 318 H ILE 42 H ILE 42 5.348 -7.261 -0.013 319 HA ILE 42 HA ILE 42 4.851 -5.252 2.086 320 HB ILE 42 HB ILE 42 5.328 -4.216 -0.079 321 HG12 ILE 42 1HG1 ILE 42 2.370 -3.931 0.397 322 HG13 ILE 42 2HG1 ILE 42 3.543 -3.359 1.578 323 HG21 ILE 42 1HG2 ILE 42 4.346 -4.772 -2.049 324 HG22 ILE 42 2HG2 ILE 42 4.203 -6.331 -1.240 325 HG23 ILE 42 3HG2 ILE 42 2.824 -5.234 -1.288 326 HD11 ILE 42 1HD1 ILE 42 4.051 -2.466 -1.160 327 HD12 ILE 42 2HD1 ILE 42 2.542 -1.882 -0.457 328 HD13 ILE 42 3HD1 ILE 42 4.074 -1.567 0.357 329 H LYS 43 H LYS 43 2.997 -5.374 3.185 330 HA LYS 43 HA LYS 43 0.929 -7.229 2.199 331 HB2 LYS 43 1HB LYS 43 2.152 -7.935 4.280 332 HB3 LYS 43 2HB LYS 43 1.485 -6.520 5.083 333 HG2 LYS 43 1HG LYS 43 -0.053 -8.055 5.723 334 HG3 LYS 43 2HG LYS 43 -0.790 -7.550 4.200 335 HD2 LYS 43 1HD LYS 43 -0.856 -9.832 3.964 336 HD3 LYS 43 2HD LYS 43 0.701 -9.476 3.213 337 HE2 LYS 43 1HE LYS 43 0.879 -11.374 4.730 338 HE3 LYS 43 2HE LYS 43 1.836 -10.013 5.311 339 HZ1 LYS 43 1HZ LYS 43 -0.913 -10.300 6.285 340 HZ2 LYS 43 2HZ LYS 43 0.445 -9.661 7.065 341 HZ3 LYS 43 3HZ LYS 43 0.269 -11.336 6.910 342 H TRP 44 H TRP 44 -0.888 -6.269 1.602 343 HA TRP 44 HA TRP 44 -1.451 -3.552 2.474 344 HB2 TRP 44 1HB TRP 44 -3.013 -5.267 0.534 345 HB3 TRP 44 2HB TRP 44 -3.138 -3.522 0.746 346 HD1 TRP 44 HD TRP 44 -0.555 -6.141 -0.471 347 HE1 TRP 44 1HE TRP 44 0.939 -5.018 -2.240 348 HE3 TRP 44 3HE TRP 44 -2.419 -1.388 -0.210 349 HZ2 TRP 44 2HZ TRP 44 1.283 -2.456 -3.375 350 HZ3 TRP 44 3HZ TRP 44 -1.452 0.340 -1.670 351 HH2 TRP 44 HH TRP 44 0.361 -0.185 -3.219 352 H PHE 45 H PHE 45 -2.903 -3.017 3.974 353 HA PHE 45 HA PHE 45 -4.820 -5.076 4.850 354 HB2 PHE 45 1HB PHE 45 -3.140 -3.190 6.489 355 HB3 PHE 45 2HB PHE 45 -4.616 -3.901 7.134 356 HD1 PHE 45 1HD PHE 45 -4.794 -6.415 7.240 357 HD2 PHE 45 2HD PHE 45 -1.133 -4.386 6.468 358 HE1 PHE 45 1HE PHE 45 -3.544 -8.437 7.875 359 HE2 PHE 45 2HE PHE 45 0.123 -6.405 7.101 360 HZ PHE 45 HZ PHE 45 -1.082 -8.434 7.805 361 H LYS 46 H LYS 46 -6.812 -4.274 5.763 362 HA LYS 46 HA LYS 46 -7.470 -1.505 5.034 363 HB2 LYS 46 1HB LYS 46 -8.298 -2.823 3.202 364 HB3 LYS 46 2HB LYS 46 -9.035 -3.982 4.300 365 HG2 LYS 46 1HG LYS 46 -10.727 -2.559 3.340 366 HG3 LYS 46 2HG LYS 46 -10.587 -2.241 5.071 367 HD2 LYS 46 1HD LYS 46 -9.042 -0.328 4.451 368 HD3 LYS 46 2HD LYS 46 -9.566 -0.571 2.784 369 HE2 LYS 46 1HE LYS 46 -10.874 1.183 3.831 370 HE3 LYS 46 2HE LYS 46 -11.893 -0.211 3.478 371 HZ1 LYS 46 1HZ LYS 46 -11.321 1.012 5.983 372 HZ2 LYS 46 2HZ LYS 46 -10.952 -0.638 6.019 373 HZ3 LYS 46 3HZ LYS 46 -12.508 -0.130 5.594 374 H GLY 47 H GLY 47 -8.973 -0.491 6.339 375 HA2 GLY 47 1HA GLY 47 -10.233 -0.099 8.219 376 HA3 GLY 47 2HA GLY 47 -10.630 -1.811 8.209 377 H LYS 48 H LYS 48 -10.269 -2.585 10.179 378 HA LYS 48 HA LYS 48 -7.887 -1.682 11.642 379 HB2 LYS 48 1HB LYS 48 -9.980 -1.385 12.843 380 HB3 LYS 48 2HB LYS 48 -10.388 -3.079 12.608 381 HG2 LYS 48 1HG LYS 48 -8.851 -3.805 14.167 382 HG3 LYS 48 2HG LYS 48 -7.874 -2.341 14.038 383 HD2 LYS 48 1HD LYS 48 -10.671 -2.133 15.052 384 HD3 LYS 48 2HD LYS 48 -9.415 -2.752 16.125 385 HE2 LYS 48 1HE LYS 48 -8.318 -0.750 16.220 386 HE3 LYS 48 2HE LYS 48 -8.847 -0.260 14.611 387 HZ1 LYS 48 1HZ LYS 48 -10.284 -0.065 17.172 388 HZ2 LYS 48 2HZ LYS 48 -11.158 -0.153 15.726 389 HZ3 LYS 48 3HZ LYS 48 -10.063 1.113 15.977 390 H TRP 49 H TRP 49 -9.738 -4.670 11.039 391 HA TRP 49 HA TRP 49 -7.224 -6.174 11.348 392 HB2 TRP 49 1HB TRP 49 -9.948 -7.427 11.541 393 HB3 TRP 49 2HB TRP 49 -8.419 -7.998 12.202 394 HD1 TRP 49 HD TRP 49 -11.224 -5.478 12.902 395 HE1 TRP 49 1HE TRP 49 -11.083 -4.764 15.371 396 HE3 TRP 49 3HE TRP 49 -6.833 -7.773 14.161 397 HZ2 TRP 49 2HZ TRP 49 -9.340 -5.125 17.562 398 HZ3 TRP 49 3HZ TRP 49 -5.998 -7.539 16.464 399 HH2 TRP 49 HH TRP 49 -7.226 -6.242 18.127 400 H MET 50 H MET 50 -10.054 -5.649 9.351 401 HA MET 50 HA MET 50 -10.018 -7.684 7.560 402 HB2 MET 50 1HB MET 50 -11.382 -5.443 7.617 403 HB3 MET 50 2HB MET 50 -10.153 -4.892 6.486 404 HG2 MET 50 1HG MET 50 -10.733 -7.068 5.199 405 HG3 MET 50 2HG MET 50 -12.215 -7.021 6.150 406 HE1 MET 50 1HE MET 50 -10.719 -4.509 2.794 407 HE2 MET 50 2HE MET 50 -10.190 -6.058 3.451 408 HE3 MET 50 3HE MET 50 -11.592 -5.986 2.382 409 H ASP 51 H ASP 51 -8.491 -8.609 6.380 410 HA ASP 51 HA ASP 51 -6.171 -6.993 5.557 411 HB2 ASP 51 1HB ASP 51 -5.457 -8.768 6.989 412 HB3 ASP 51 2HB ASP 51 -6.435 -9.947 6.119 413 H LEU 52 H LEU 52 -5.794 -6.685 3.456 414 HA LEU 52 HA LEU 52 -7.659 -7.698 1.519 415 HB2 LEU 52 1HB LEU 52 -5.132 -6.181 0.936 416 HB3 LEU 52 2HB LEU 52 -6.600 -6.266 -0.035 417 HG LEU 52 HG LEU 52 -6.397 -4.896 2.645 418 HD11 LEU 52 1HD1 LEU 52 -6.730 -2.858 1.046 419 HD12 LEU 52 2HD1 LEU 52 -5.990 -3.927 -0.145 420 HD13 LEU 52 3HD1 LEU 52 -5.118 -3.513 1.331 421 HD21 LEU 52 1HD2 LEU 52 -8.585 -5.412 0.715 422 HD22 LEU 52 2HD2 LEU 52 -8.533 -3.819 1.471 423 HD23 LEU 52 3HD2 LEU 52 -8.630 -5.268 2.473 424 H ALA 53 H ALA 53 -4.361 -8.377 2.472 425 HA ALA 53 HA ALA 53 -3.310 -9.735 0.364 426 HB1 ALA 53 1HB ALA 53 -1.804 -10.630 1.818 427 HB2 ALA 53 2HB ALA 53 -2.492 -9.384 2.860 428 HB3 ALA 53 3HB ALA 53 -3.035 -11.055 3.008 429 H SER 54 H SER 54 -5.860 -10.820 2.512 430 HA SER 54 HA SER 54 -5.910 -13.461 1.281 431 HB2 SER 54 1HB SER 54 -6.215 -13.379 3.690 432 HB3 SER 54 2HB SER 54 -7.565 -12.259 3.513 433 HG SER 54 HG SER 54 -8.791 -13.936 3.295 434 H LYS 55 H LYS 55 -7.452 -10.413 1.013 435 HA LYS 55 HA LYS 55 -9.892 -11.370 -0.164 436 HB2 LYS 55 1HB LYS 55 -8.656 -8.612 -0.097 437 HB3 LYS 55 2HB LYS 55 -10.262 -8.970 -0.717 438 HG2 LYS 55 1HG LYS 55 -9.394 -9.547 2.104 439 HG3 LYS 55 2HG LYS 55 -10.208 -8.063 1.605 440 HD2 LYS 55 1HD LYS 55 -12.046 -9.539 0.681 441 HD3 LYS 55 2HD LYS 55 -11.270 -10.880 1.527 442 HE2 LYS 55 1HE LYS 55 -11.507 -9.656 3.645 443 HE3 LYS 55 2HE LYS 55 -12.313 -8.344 2.787 444 HZ1 LYS 55 1HZ LYS 55 -13.314 -11.136 2.834 445 HZ2 LYS 55 2HZ LYS 55 -14.118 -9.770 2.244 446 HZ3 LYS 55 3HZ LYS 55 -13.836 -9.934 3.904 447 H ALA 56 H ALA 56 -6.725 -10.533 -1.289 448 HA ALA 56 HA ALA 56 -7.210 -9.914 -3.955 449 HB1 ALA 56 1HB ALA 56 -4.850 -11.500 -3.802 450 HB2 ALA 56 2HB ALA 56 -5.000 -9.748 -3.948 451 HB3 ALA 56 3HB ALA 56 -4.956 -10.499 -2.353 452 H GLY 57 H GLY 57 -8.454 -11.054 -5.300 453 HA2 GLY 57 1HA GLY 57 -7.726 -13.766 -5.952 454 HA3 GLY 57 2HA GLY 57 -9.289 -13.635 -5.160 455 H LYS 58 H LYS 58 -10.808 -12.006 -6.167 456 HA LYS 58 HA LYS 58 -10.513 -12.052 -9.100 457 HB2 LYS 58 1HB LYS 58 -12.322 -13.537 -7.851 458 HB3 LYS 58 2HB LYS 58 -13.220 -12.025 -7.845 459 HG2 LYS 58 1HG LYS 58 -12.569 -12.026 -10.399 460 HG3 LYS 58 2HG LYS 58 -12.444 -13.765 -10.122 461 HD2 LYS 58 1HD LYS 58 -14.859 -12.181 -9.288 462 HD3 LYS 58 2HD LYS 58 -14.700 -12.868 -10.906 463 HE2 LYS 58 1HE LYS 58 -14.148 -15.061 -9.574 464 HE3 LYS 58 2HE LYS 58 -15.012 -14.240 -8.275 465 HZ1 LYS 58 1HZ LYS 58 -16.226 -14.397 -10.948 466 HZ2 LYS 58 2HZ LYS 58 -16.976 -14.275 -9.437 467 HZ3 LYS 58 3HZ LYS 58 -16.294 -15.743 -9.926 468 H HIS 59 H HIS 59 -12.239 -10.414 -6.446 469 HA HIS 59 HA HIS 59 -12.715 -8.065 -8.028 470 HB2 HIS 59 1HB HIS 59 -13.295 -8.920 -5.232 471 HB3 HIS 59 2HB HIS 59 -13.292 -7.193 -5.580 472 HD1 HIS 59 1HD HIS 59 -15.420 -6.269 -6.455 473 HD2 HIS 59 2HD HIS 59 -15.171 -10.381 -6.995 474 HE1 HIS 59 1HE HIS 59 -17.652 -6.962 -7.384 475 HE2 HIS 59 2HE HIS 59 -17.507 -9.465 -7.622 476 H LEU 60 H LEU 60 -10.085 -9.245 -6.278 477 HA LEU 60 HA LEU 60 -8.764 -6.642 -6.458 478 HB2 LEU 60 1HB LEU 60 -9.441 -6.674 -4.184 479 HB3 LEU 60 2HB LEU 60 -8.938 -8.352 -3.990 480 HG LEU 60 HG LEU 60 -6.566 -7.266 -4.582 481 HD11 LEU 60 1HD1 LEU 60 -7.076 -5.114 -2.834 482 HD12 LEU 60 2HD1 LEU 60 -8.261 -5.016 -4.137 483 HD13 LEU 60 3HD1 LEU 60 -6.538 -5.053 -4.512 484 HD21 LEU 60 1HD2 LEU 60 -7.644 -8.468 -2.448 485 HD22 LEU 60 2HD2 LEU 60 -7.406 -6.854 -1.777 486 HD23 LEU 60 3HD2 LEU 60 -6.034 -7.747 -2.435 487 H GLN 61 H GLN 61 -6.575 -6.738 -6.871 488 HA GLN 61 HA GLN 61 -5.225 -9.313 -6.848 489 HB2 GLN 61 1HB GLN 61 -5.575 -7.698 -9.379 490 HB3 GLN 61 2HB GLN 61 -4.504 -9.082 -9.208 491 HG2 GLN 61 1HG GLN 61 -7.412 -9.361 -8.599 492 HG3 GLN 61 2HG GLN 61 -6.848 -9.382 -10.269 493 HE21 GLN 61 1HE2 GLN 61 -6.612 -10.969 -7.154 494 HE22 GLN 61 2HE2 GLN 61 -6.074 -12.496 -7.759 495 H LEU 62 H LEU 62 -3.247 -9.032 -6.073 496 HA LEU 62 HA LEU 62 -2.128 -6.349 -5.949 497 HB2 LEU 62 1HB LEU 62 -0.937 -8.867 -4.818 498 HB3 LEU 62 2HB LEU 62 -0.604 -7.202 -4.347 499 HG LEU 62 HG LEU 62 -3.192 -8.676 -3.858 500 HD11 LEU 62 1HD1 LEU 62 -1.940 -9.641 -2.254 501 HD12 LEU 62 2HD1 LEU 62 -2.204 -8.110 -1.421 502 HD13 LEU 62 3HD1 LEU 62 -0.704 -8.384 -2.307 503 HD21 LEU 62 1HD2 LEU 62 -3.918 -6.779 -2.660 504 HD22 LEU 62 2HD2 LEU 62 -3.292 -6.165 -4.191 505 HD23 LEU 62 3HD2 LEU 62 -2.322 -6.031 -2.723 506 H LYS 63 H LYS 63 0.202 -6.040 -6.400 507 HA LYS 63 HA LYS 63 1.314 -7.844 -8.410 508 HB2 LYS 63 1HB LYS 63 -0.070 -5.694 -9.280 509 HB3 LYS 63 2HB LYS 63 1.518 -4.966 -9.076 510 HG2 LYS 63 1HG LYS 63 1.724 -5.656 -11.221 511 HG3 LYS 63 2HG LYS 63 2.262 -7.132 -10.416 512 HD2 LYS 63 1HD LYS 63 0.312 -8.259 -10.882 513 HD3 LYS 63 2HD LYS 63 -0.643 -6.778 -10.987 514 HE2 LYS 63 1HE LYS 63 1.500 -7.361 -12.996 515 HE3 LYS 63 2HE LYS 63 -0.098 -8.091 -13.153 516 HZ1 LYS 63 1HZ LYS 63 -1.063 -6.106 -13.621 517 HZ2 LYS 63 2HZ LYS 63 0.478 -5.781 -14.237 518 HZ3 LYS 63 3HZ LYS 63 0.040 -5.205 -12.708 519 H GLU 64 H GLU 64 3.558 -7.760 -8.596 520 HA GLU 64 HA GLU 64 5.047 -5.814 -7.043 521 HB2 GLU 64 1HB GLU 64 4.791 -7.295 -5.265 522 HB3 GLU 64 2HB GLU 64 4.839 -8.710 -6.307 523 HG2 GLU 64 1HG GLU 64 7.242 -6.963 -5.924 524 HG3 GLU 64 2HG GLU 64 6.846 -8.261 -4.798 525 H THR 65 H THR 65 7.034 -5.431 -7.870 526 HA THR 65 HA THR 65 8.243 -7.358 -9.696 527 HB THR 65 HB THR 65 6.795 -5.845 -11.081 528 HG1 THR 65 1HG THR 65 8.560 -6.801 -12.081 529 HG21 THR 65 1HG2 THR 65 8.775 -3.758 -10.161 530 HG22 THR 65 2HG2 THR 65 7.045 -3.787 -9.815 531 HG23 THR 65 3HG2 THR 65 7.610 -3.547 -11.468 532 H PHE 66 H PHE 66 10.477 -6.917 -10.160 533 HA PHE 66 HA PHE 66 11.723 -5.063 -8.239 534 HB2 PHE 66 1HB PHE 66 12.195 -7.234 -7.416 535 HB3 PHE 66 2HB PHE 66 12.537 -7.855 -9.028 536 HD1 PHE 66 1HD PHE 66 13.765 -5.194 -6.716 537 HD2 PHE 66 2HD PHE 66 14.734 -8.187 -9.583 538 HE1 PHE 66 1HE PHE 66 16.159 -4.738 -6.378 539 HE2 PHE 66 2HE PHE 66 17.129 -7.736 -9.249 540 HZ PHE 66 HZ PHE 66 17.845 -6.010 -7.644 541 H GLU 67 H GLU 67 13.472 -3.868 -8.927 542 HA GLU 67 HA GLU 67 14.167 -4.103 -11.781 543 HB2 GLU 67 1HB GLU 67 13.410 -1.703 -10.171 544 HB3 GLU 67 2HB GLU 67 14.582 -1.513 -11.468 545 HG2 GLU 67 1HG GLU 67 12.763 -2.804 -12.856 546 HG3 GLU 67 2HG GLU 67 11.690 -2.182 -11.603 547 H ARG 68 H ARG 68 16.076 -5.198 -11.465 548 HA ARG 68 HA ARG 68 17.994 -4.608 -9.499 549 HB2 ARG 68 1HB ARG 68 19.548 -5.746 -11.312 550 HB3 ARG 68 2HB ARG 68 18.362 -6.679 -10.410 551 HG2 ARG 68 1HG ARG 68 17.481 -5.470 -12.965 552 HG3 ARG 68 2HG ARG 68 18.597 -6.835 -13.046 553 HD2 ARG 68 1HD ARG 68 17.078 -8.305 -12.186 554 HD3 ARG 68 2HD ARG 68 16.256 -7.068 -11.236 555 HE ARG 68 HE ARG 68 15.679 -6.392 -13.798 556 HH11 ARG 68 2HH1 ARG 68 15.366 -9.324 -11.947 557 HH12 ARG 68 1HH1 ARG 68 13.980 -9.883 -12.824 558 HH21 ARG 68 2HH2 ARG 68 13.855 -7.118 -14.959 559 HH22 ARG 68 1HH2 ARG 68 13.122 -8.628 -14.537 560 H HIS 69 H HIS 69 17.316 -3.172 -12.584 561 HA HIS 69 HA HIS 69 19.699 -1.986 -13.275 562 HB2 HIS 69 1HB HIS 69 17.076 -0.511 -13.443 563 HB3 HIS 69 2HB HIS 69 18.450 -0.421 -14.542 564 HD1 HIS 69 1HD HIS 69 15.459 -2.503 -13.720 565 HD2 HIS 69 2HD HIS 69 18.584 -2.460 -16.459 566 HE1 HIS 69 1HE HIS 69 14.833 -4.185 -15.482 567 HE2 HIS 69 2HE HIS 69 16.777 -4.203 -17.082 568 H SER 70 H SER 70 17.340 -0.905 -10.877 569 HA SER 70 HA SER 70 19.335 1.038 -9.912 570 HB2 SER 70 1HB SER 70 16.329 1.312 -10.062 571 HB3 SER 70 2HB SER 70 17.342 2.376 -9.086 572 HG SER 70 HG SER 70 18.534 2.557 -11.260 573 H ARG 71 H ARG 71 17.984 -1.821 -9.245 574 HA ARG 71 HA ARG 71 17.728 -3.096 -7.380 575 HB2 ARG 71 1HB ARG 71 19.422 -0.889 -6.201 576 HB3 ARG 71 2HB ARG 71 19.009 -2.369 -5.345 577 HG2 ARG 71 1HG ARG 71 20.027 -3.477 -7.522 578 HG3 ARG 71 2HG ARG 71 20.884 -1.937 -7.598 579 HD2 ARG 71 1HD ARG 71 21.300 -2.467 -5.037 580 HD3 ARG 71 2HD ARG 71 21.065 -4.123 -5.593 581 HE ARG 71 HE ARG 71 23.173 -4.024 -6.433 582 HH11 ARG 71 2HH1 ARG 71 21.872 -0.795 -6.385 583 HH12 ARG 71 1HH1 ARG 71 23.316 -0.064 -7.004 584 HH21 ARG 71 2HH2 ARG 71 25.079 -3.074 -7.249 585 HH22 ARG 71 1HH2 ARG 71 25.139 -1.361 -7.496 586 H VAL 72 H VAL 72 15.496 -1.788 -7.906 587 HA VAL 72 HA VAL 72 14.476 -1.100 -5.249 588 HB VAL 72 HB VAL 72 13.997 0.567 -7.722 589 HG11 VAL 72 1HG1 VAL 72 12.881 1.824 -5.492 590 HG12 VAL 72 2HG1 VAL 72 12.021 1.084 -6.843 591 HG13 VAL 72 3HG1 VAL 72 12.361 0.143 -5.391 592 HG21 VAL 72 1HG2 VAL 72 16.125 0.787 -6.195 593 HG22 VAL 72 2HG2 VAL 72 15.279 2.220 -6.778 594 HG23 VAL 72 3HG2 VAL 72 15.006 1.643 -5.134 595 H TYR 73 H TYR 73 12.425 -1.799 -4.850 596 HA TYR 73 HA TYR 73 11.202 -3.449 -6.943 597 HB2 TYR 73 1HB TYR 73 10.774 -3.412 -3.949 598 HB3 TYR 73 2HB TYR 73 9.917 -4.466 -5.068 599 HD1 TYR 73 2HD TYR 73 13.400 -3.559 -4.069 600 HD2 TYR 73 1HD TYR 73 10.754 -6.589 -5.456 601 HE1 TYR 73 2HE TYR 73 15.209 -5.216 -3.883 602 HE2 TYR 73 1HE TYR 73 12.555 -8.254 -5.272 603 HH TYR 73 HH TYR 73 14.628 -8.616 -4.222 604 H THR 74 H THR 74 9.046 -3.248 -7.514 605 HA THR 74 HA THR 74 7.666 -0.842 -6.518 606 HB THR 74 HB THR 74 7.705 -1.854 -9.368 607 HG1 THR 74 1HG THR 74 8.604 0.657 -8.388 608 HG21 THR 74 1HG2 THR 74 6.074 -0.352 -9.918 609 HG22 THR 74 2HG2 THR 74 6.501 0.755 -8.614 610 HG23 THR 74 3HG2 THR 74 5.574 -0.703 -8.265 611 H PHE 75 H PHE 75 6.020 -1.564 -5.325 612 HA PHE 75 HA PHE 75 4.529 -3.923 -6.234 613 HB2 PHE 75 1HB PHE 75 4.115 -2.613 -3.568 614 HB3 PHE 75 2HB PHE 75 3.880 -4.297 -4.026 615 HD1 PHE 75 1HD PHE 75 6.175 -5.413 -4.934 616 HD2 PHE 75 2HD PHE 75 5.869 -2.193 -2.167 617 HE1 PHE 75 1HE PHE 75 8.403 -5.966 -4.049 618 HE2 PHE 75 2HE PHE 75 8.097 -2.740 -1.279 619 HZ PHE 75 HZ PHE 75 9.368 -4.627 -2.221 620 H GLU 76 H GLU 76 2.355 -3.861 -6.641 621 HA GLU 76 HA GLU 76 1.012 -1.255 -6.409 622 HB2 GLU 76 1HB GLU 76 0.675 -3.074 -8.790 623 HB3 GLU 76 2HB GLU 76 0.089 -1.428 -8.600 624 HG2 GLU 76 1HG GLU 76 2.125 -0.498 -9.036 625 HG3 GLU 76 2HG GLU 76 3.016 -1.902 -8.449 626 H MET 77 H MET 77 -1.381 -1.437 -6.600 627 HA MET 77 HA MET 77 -2.399 -4.057 -5.751 628 HB2 MET 77 1HB MET 77 -2.055 -2.706 -3.732 629 HB3 MET 77 2HB MET 77 -3.042 -1.421 -4.417 630 HG2 MET 77 1HG MET 77 -5.004 -2.734 -4.289 631 HG3 MET 77 2HG MET 77 -4.084 -4.193 -3.929 632 HE1 MET 77 1HE MET 77 -3.454 -0.632 -2.542 633 HE2 MET 77 2HE MET 77 -5.217 -0.647 -2.490 634 HE3 MET 77 3HE MET 77 -4.289 -0.646 -0.989 635 H GLN 78 H GLN 78 -3.511 -4.494 -7.597 636 HA GLN 78 HA GLN 78 -5.198 -2.482 -8.820 637 HB2 GLN 78 1HB GLN 78 -3.814 -4.575 -9.851 638 HB3 GLN 78 2HB GLN 78 -5.417 -5.287 -9.717 639 HG2 GLN 78 1HG GLN 78 -6.338 -3.434 -11.030 640 HG3 GLN 78 2HG GLN 78 -4.718 -2.755 -11.188 641 HE21 GLN 78 1HE2 GLN 78 -3.174 -4.874 -11.731 642 HE22 GLN 78 2HE2 GLN 78 -3.652 -5.623 -13.212 643 H ILE 79 H ILE 79 -7.100 -2.046 -7.924 644 HA ILE 79 HA ILE 79 -8.603 -4.215 -6.637 645 HB ILE 79 HB ILE 79 -8.997 -1.227 -6.432 646 HG12 ILE 79 1HG1 ILE 79 -7.511 -3.235 -4.802 647 HG13 ILE 79 2HG1 ILE 79 -7.101 -1.563 -5.168 648 HG21 ILE 79 1HG2 ILE 79 -10.774 -1.577 -5.019 649 HG22 ILE 79 2HG2 ILE 79 -10.988 -2.903 -6.161 650 HG23 ILE 79 3HG2 ILE 79 -10.250 -3.204 -4.587 651 HD11 ILE 79 1HD1 ILE 79 -8.995 -2.614 -3.101 652 HD12 ILE 79 2HD1 ILE 79 -7.581 -1.581 -2.888 653 HD13 ILE 79 3HD1 ILE 79 -9.039 -0.936 -3.640 654 H ILE 80 H ILE 80 -9.828 -5.206 -8.134 655 HA ILE 80 HA ILE 80 -11.173 -3.670 -10.201 656 HB ILE 80 HB ILE 80 -11.585 -6.607 -9.779 657 HG12 ILE 80 1HG1 ILE 80 -9.547 -6.657 -11.510 658 HG13 ILE 80 2HG1 ILE 80 -9.084 -5.219 -10.607 659 HG21 ILE 80 1HG2 ILE 80 -12.645 -6.417 -11.717 660 HG22 ILE 80 2HG2 ILE 80 -12.289 -4.690 -11.746 661 HG23 ILE 80 3HG2 ILE 80 -11.165 -5.835 -12.479 662 HD11 ILE 80 1HD1 ILE 80 -8.099 -6.606 -9.185 663 HD12 ILE 80 2HD1 ILE 80 -9.719 -7.045 -8.642 664 HD13 ILE 80 3HD1 ILE 80 -8.910 -8.013 -9.874 665 H LYS 81 H LYS 81 -13.369 -3.419 -10.408 666 HA LYS 81 HA LYS 81 -15.476 -3.000 -9.637 667 HB2 LYS 81 1HB LYS 81 -15.138 -5.796 -8.533 668 HB3 LYS 81 2HB LYS 81 -16.672 -4.967 -8.767 669 HG2 LYS 81 1HG LYS 81 -15.781 -4.780 -11.249 670 HG3 LYS 81 2HG LYS 81 -14.854 -6.201 -10.760 671 HD2 LYS 81 1HD LYS 81 -17.191 -6.995 -9.841 672 HD3 LYS 81 2HD LYS 81 -17.801 -5.853 -11.040 673 HE2 LYS 81 1HE LYS 81 -16.747 -7.014 -12.814 674 HE3 LYS 81 2HE LYS 81 -15.784 -7.984 -11.701 675 HZ1 LYS 81 1HZ LYS 81 -17.462 -9.414 -12.347 676 HZ2 LYS 81 2HZ LYS 81 -18.652 -8.212 -12.342 677 HZ3 LYS 81 3HZ LYS 81 -18.053 -8.815 -10.879 678 H ALA 82 H ALA 82 -13.668 -1.786 -8.028 679 HA ALA 82 HA ALA 82 -13.578 -2.359 -5.342 680 HB1 ALA 82 1HB ALA 82 -13.868 0.409 -6.497 681 HB2 ALA 82 2HB ALA 82 -13.130 -0.031 -4.956 682 HB3 ALA 82 3HB ALA 82 -12.365 -0.512 -6.471 683 H LYS 83 H LYS 83 -15.152 -2.769 -3.948 684 HA LYS 83 HA LYS 83 -17.834 -1.755 -4.407 685 HB2 LYS 83 1HB LYS 83 -17.027 -3.398 -2.030 686 HB3 LYS 83 2HB LYS 83 -18.574 -3.347 -2.865 687 HG2 LYS 83 1HG LYS 83 -17.668 -4.562 -4.730 688 HG3 LYS 83 2HG LYS 83 -16.049 -4.500 -4.030 689 HD2 LYS 83 1HD LYS 83 -17.003 -5.747 -2.045 690 HD3 LYS 83 2HD LYS 83 -18.454 -6.004 -3.018 691 HE2 LYS 83 1HE LYS 83 -16.915 -6.991 -4.779 692 HE3 LYS 83 2HE LYS 83 -15.658 -6.985 -3.543 693 HZ1 LYS 83 1HZ LYS 83 -16.455 -8.905 -2.825 694 HZ2 LYS 83 2HZ LYS 83 -17.728 -8.854 -3.937 695 HZ3 LYS 83 3HZ LYS 83 -17.911 -8.150 -2.410 696 H ASP 84 H ASP 84 -19.075 -0.834 -2.577 697 HA ASP 84 HA ASP 84 -17.887 1.491 -1.591 698 HB2 ASP 84 1HB ASP 84 -19.923 1.950 -0.581 699 HB3 ASP 84 2HB ASP 84 -20.403 0.813 -1.838 700 H ASN 85 H ASN 85 -17.625 -1.705 -0.486 701 HA ASN 85 HA ASN 85 -17.089 -1.042 2.275 702 HB2 ASN 85 1HB ASN 85 -18.015 -3.166 2.106 703 HB3 ASN 85 2HB ASN 85 -17.098 -3.563 0.656 704 HD21 ASN 85 1HD2 ASN 85 -16.680 -2.864 4.098 705 HD22 ASN 85 2HD2 ASN 85 -15.366 -3.960 4.339 706 H PHE 86 H PHE 86 -15.335 -1.179 -0.651 707 HA PHE 86 HA PHE 86 -12.767 -1.788 0.417 708 HB2 PHE 86 1HB PHE 86 -13.690 -0.540 -2.166 709 HB3 PHE 86 2HB PHE 86 -11.983 -0.735 -1.785 710 HD1 PHE 86 2HD PHE 86 -15.023 -2.883 -1.473 711 HD2 PHE 86 1HD PHE 86 -11.030 -2.491 -2.895 712 HE1 PHE 86 2HE PHE 86 -15.102 -5.190 -2.322 713 HE2 PHE 86 1HE PHE 86 -11.104 -4.797 -3.748 714 HZ PHE 86 HZ PHE 86 -13.141 -6.151 -3.461 715 H ALA 87 H ALA 87 -14.734 0.954 0.575 716 HA ALA 87 HA ALA 87 -12.648 2.928 0.676 717 HB1 ALA 87 1HB ALA 87 -15.446 2.957 0.446 718 HB2 ALA 87 2HB ALA 87 -15.062 3.812 1.941 719 HB3 ALA 87 3HB ALA 87 -14.344 4.334 0.417 720 H GLY 88 H GLY 88 -12.016 4.134 2.532 721 HA2 GLY 88 1HA GLY 88 -12.546 4.229 5.061 722 HA3 GLY 88 2HA GLY 88 -12.121 2.525 4.992 723 H ASN 89 H ASN 89 -10.274 2.458 6.144 724 HA ASN 89 HA ASN 89 -8.092 4.251 5.301 725 HB2 ASN 89 1HB ASN 89 -8.772 4.609 7.632 726 HB3 ASN 89 2HB ASN 89 -8.505 2.903 7.980 727 HD21 ASN 89 1HD2 ASN 89 -6.738 5.573 6.441 728 HD22 ASN 89 2HD2 ASN 89 -5.245 5.278 7.259 729 H TYR 90 H TYR 90 -6.292 3.369 4.492 730 HA TYR 90 HA TYR 90 -6.092 0.438 4.491 731 HB2 TYR 90 1HB TYR 90 -5.176 2.564 2.585 732 HB3 TYR 90 2HB TYR 90 -4.377 0.995 2.598 733 HD1 TYR 90 2HD TYR 90 -7.911 2.231 2.711 734 HD2 TYR 90 1HD TYR 90 -5.102 -0.441 0.957 735 HE1 TYR 90 2HE TYR 90 -9.684 1.322 1.268 736 HE2 TYR 90 1HE TYR 90 -6.868 -1.356 -0.491 737 HH TYR 90 HH TYR 90 -10.231 -0.316 -0.168 738 H ARG 91 H ARG 91 -3.981 -0.536 4.701 739 HA ARG 91 HA ARG 91 -1.878 1.097 5.876 740 HB2 ARG 91 1HB ARG 91 -3.441 0.307 7.724 741 HB3 ARG 91 2HB ARG 91 -2.889 -1.323 7.362 742 HG2 ARG 91 1HG ARG 91 -0.677 -0.823 8.026 743 HG3 ARG 91 2HG ARG 91 -1.011 0.909 8.078 744 HD2 ARG 91 1HD ARG 91 -0.952 0.043 10.325 745 HD3 ARG 91 2HD ARG 91 -2.605 0.506 9.924 746 HE ARG 91 HE ARG 91 -3.235 -1.700 10.075 747 HH11 ARG 91 2HH1 ARG 91 0.238 -1.467 10.077 748 HH12 ARG 91 1HH1 ARG 91 0.480 -3.128 10.505 749 HH21 ARG 91 2HH2 ARG 91 -2.931 -3.889 10.638 750 HH22 ARG 91 1HH2 ARG 91 -1.324 -4.505 10.822 751 H CYS 92 H CYS 92 0.002 0.487 5.043 752 HA CYS 92 HA CYS 92 0.269 -2.280 4.065 753 HB2 CYS 92 1HB CYS 92 1.637 -1.510 2.282 754 HB3 CYS 92 2HB CYS 92 0.247 -0.432 2.327 755 HG CYS 92 HG CYS 92 3.386 0.272 3.493 756 H GLU 93 H GLU 93 2.066 -3.437 4.602 757 HA GLU 93 HA GLU 93 4.046 -2.102 6.327 758 HB2 GLU 93 1HB GLU 93 2.762 -4.809 6.690 759 HB3 GLU 93 2HB GLU 93 4.208 -4.305 7.554 760 HG2 GLU 93 1HG GLU 93 3.079 -2.834 8.877 761 HG3 GLU 93 2HG GLU 93 1.827 -2.539 7.672 762 H VAL 94 H VAL 94 5.998 -2.156 5.452 763 HA VAL 94 HA VAL 94 6.729 -4.466 3.772 764 HB VAL 94 HB VAL 94 7.610 -1.595 3.447 765 HG11 VAL 94 1HG1 VAL 94 8.836 -2.365 1.490 766 HG12 VAL 94 2HG1 VAL 94 9.413 -3.179 2.946 767 HG13 VAL 94 3HG1 VAL 94 8.349 -4.027 1.823 768 HG21 VAL 94 1HG2 VAL 94 5.802 -1.383 2.173 769 HG22 VAL 94 2HG2 VAL 94 6.476 -2.598 1.086 770 HG23 VAL 94 3HG2 VAL 94 5.394 -3.085 2.391 771 H THR 95 H THR 95 8.050 -5.697 4.951 772 HA THR 95 HA THR 95 10.089 -4.391 6.620 773 HB THR 95 HB THR 95 9.360 -7.307 6.776 774 HG1 THR 95 1HG THR 95 7.763 -6.804 8.212 775 HG21 THR 95 1HG2 THR 95 11.297 -5.723 8.021 776 HG22 THR 95 2HG2 THR 95 10.804 -7.354 8.477 777 HG23 THR 95 3HG2 THR 95 10.041 -5.957 9.235 778 H TYR 96 H TYR 96 12.079 -4.335 5.830 779 HA TYR 96 HA TYR 96 12.898 -6.426 3.923 780 HB2 TYR 96 1HB TYR 96 12.785 -4.108 3.003 781 HB3 TYR 96 2HB TYR 96 14.010 -3.624 4.171 782 HD1 TYR 96 2HD TYR 96 13.843 -6.755 2.170 783 HD2 TYR 96 1HD TYR 96 15.842 -3.058 2.830 784 HE1 TYR 96 2HE TYR 96 15.606 -7.433 0.594 785 HE2 TYR 96 1HE TYR 96 17.609 -3.725 1.255 786 HH TYR 96 HH TYR 96 17.443 -5.752 -0.944 787 H LYS 97 H LYS 97 15.098 -7.147 4.006 788 HA LYS 97 HA LYS 97 16.005 -7.929 6.480 789 HB2 LYS 97 1HB LYS 97 17.986 -7.395 4.297 790 HB3 LYS 97 2HB LYS 97 17.906 -8.747 5.418 791 HG2 LYS 97 1HG LYS 97 16.305 -8.269 2.936 792 HG3 LYS 97 2HG LYS 97 17.295 -9.664 3.370 793 HD2 LYS 97 1HD LYS 97 15.548 -9.806 5.363 794 HD3 LYS 97 2HD LYS 97 14.529 -8.957 4.197 795 HE2 LYS 97 1HE LYS 97 14.872 -10.715 2.569 796 HE3 LYS 97 2HE LYS 97 15.992 -11.538 3.654 797 HZ1 LYS 97 1HZ LYS 97 13.307 -10.985 4.660 798 HZ2 LYS 97 2HZ LYS 97 14.318 -12.310 4.949 799 HZ3 LYS 97 3HZ LYS 97 13.460 -12.203 3.495 800 H ASP 98 H ASP 98 17.016 -5.091 4.607 801 HA ASP 98 HA ASP 98 18.962 -4.195 6.453 802 HB2 ASP 98 1HB ASP 98 17.421 -2.801 4.267 803 HB3 ASP 98 2HB ASP 98 18.618 -1.965 5.253 804 H LYS 99 H LYS 99 15.878 -2.573 5.711 805 HA LYS 99 HA LYS 99 15.443 -2.172 8.582 806 HB2 LYS 99 1HB LYS 99 15.320 0.024 6.506 807 HB3 LYS 99 2HB LYS 99 14.848 0.191 8.192 808 HG2 LYS 99 1HG LYS 99 17.618 -0.628 7.377 809 HG3 LYS 99 2HG LYS 99 17.136 1.062 7.544 810 HD2 LYS 99 1HD LYS 99 16.573 -0.831 9.779 811 HD3 LYS 99 2HD LYS 99 18.220 -0.238 9.555 812 HE2 LYS 99 1HE LYS 99 17.199 2.093 9.501 813 HE3 LYS 99 2HE LYS 99 15.722 1.343 10.105 814 HZ1 LYS 99 1HZ LYS 99 17.885 0.471 11.666 815 HZ2 LYS 99 2HZ LYS 99 16.554 1.399 12.139 816 HZ3 LYS 99 3HZ LYS 99 17.952 2.158 11.566 817 H PHE 100 H PHE 100 13.207 -1.264 8.995 818 HA PHE 100 HA PHE 100 11.305 -2.361 7.029 819 HB2 PHE 100 1HB PHE 100 10.972 -3.846 8.742 820 HB3 PHE 100 2HB PHE 100 11.490 -2.703 9.977 821 HD1 PHE 100 1HD PHE 100 8.700 -3.345 7.600 822 HD2 PHE 100 2HD PHE 100 9.915 -1.694 11.330 823 HE1 PHE 100 1HE PHE 100 6.347 -2.899 8.166 824 HE2 PHE 100 2HE PHE 100 7.564 -1.246 11.902 825 HZ PHE 100 HZ PHE 100 5.776 -1.849 10.319 826 H ASP 101 H ASP 101 9.863 -0.971 6.254 827 HA ASP 101 HA ASP 101 9.231 1.435 7.827 828 HB2 ASP 101 1HB ASP 101 10.817 1.669 5.735 829 HB3 ASP 101 2HB ASP 101 9.303 1.574 4.840 830 H SER 102 H SER 102 7.132 2.222 7.658 831 HA SER 102 HA SER 102 5.239 0.740 5.995 832 HB2 SER 102 1HB SER 102 5.163 0.906 9.001 833 HB3 SER 102 2HB SER 102 3.690 0.664 8.062 834 HG SER 102 HG SER 102 4.329 -1.359 8.354 835 H CYS 103 H CYS 103 3.067 1.776 5.984 836 HA CYS 103 HA CYS 103 2.798 4.461 6.933 837 HB2 CYS 103 1HB CYS 103 2.719 5.586 4.778 838 HB3 CYS 103 2HB CYS 103 4.291 4.828 4.997 839 HG CYS 103 HG CYS 103 1.756 3.573 3.069 840 H SER 104 H SER 104 0.713 5.395 6.396 841 HA SER 104 HA SER 104 -1.248 3.375 5.523 842 HB2 SER 104 1HB SER 104 -2.795 4.130 7.194 843 HB3 SER 104 2HB SER 104 -1.258 3.833 8.006 844 HG SER 104 HG SER 104 -0.911 6.194 7.595 845 H PHE 105 H PHE 105 -2.998 4.085 4.311 846 HA PHE 105 HA PHE 105 -2.935 6.898 3.452 847 HB2 PHE 105 1HB PHE 105 -3.739 5.787 1.171 848 HB3 PHE 105 2HB PHE 105 -2.032 6.007 1.544 849 HD1 PHE 105 1HD PHE 105 -1.061 3.952 3.019 850 HD2 PHE 105 2HD PHE 105 -4.313 3.764 0.279 851 HE1 PHE 105 1HE PHE 105 -0.688 1.535 2.747 852 HE2 PHE 105 2HE PHE 105 -3.946 1.347 0.004 853 HZ PHE 105 HZ PHE 105 -2.133 0.229 1.239 854 H ASP 106 H ASP 106 -5.031 7.106 1.862 855 HA ASP 106 HA ASP 106 -7.314 5.923 3.290 856 HB2 ASP 106 1HB ASP 106 -8.483 8.127 3.089 857 HB3 ASP 106 2HB ASP 106 -7.099 8.150 4.178 858 H LEU 107 H LEU 107 -8.855 5.117 2.006 859 HA LEU 107 HA LEU 107 -8.855 5.910 -0.831 860 HB2 LEU 107 1HB LEU 107 -7.841 3.682 -0.481 861 HB3 LEU 107 2HB LEU 107 -9.348 3.142 0.257 862 HG LEU 107 HG LEU 107 -8.818 2.549 -2.222 863 HD11 LEU 107 1HD1 LEU 107 -10.869 1.784 -1.776 864 HD12 LEU 107 2HD1 LEU 107 -11.435 3.244 -2.587 865 HD13 LEU 107 3HD1 LEU 107 -11.299 3.209 -0.829 866 HD21 LEU 107 1HD2 LEU 107 -9.504 4.136 -3.849 867 HD22 LEU 107 2HD2 LEU 107 -8.346 4.950 -2.797 868 HD23 LEU 107 3HD2 LEU 107 -10.073 5.258 -2.612 869 H GLU 108 H GLU 108 -10.726 6.743 -1.458 870 HA GLU 108 HA GLU 108 -13.133 6.147 0.120 871 HB2 GLU 108 1HB GLU 108 -12.191 8.529 -1.394 872 HB3 GLU 108 2HB GLU 108 -13.923 8.230 -1.353 873 HG2 GLU 108 1HG GLU 108 -12.240 8.348 1.129 874 HG3 GLU 108 2HG GLU 108 -13.000 9.770 0.418 875 H VAL 109 H VAL 109 -15.179 5.959 -1.039 876 HA VAL 109 HA VAL 109 -14.896 5.008 -3.807 877 HB VAL 109 HB VAL 109 -16.572 3.601 -1.727 878 HG11 VAL 109 1HG1 VAL 109 -17.104 3.582 -4.283 879 HG12 VAL 109 2HG1 VAL 109 -15.753 2.449 -4.355 880 HG13 VAL 109 3HG1 VAL 109 -17.159 2.084 -3.356 881 HG21 VAL 109 1HG2 VAL 109 -14.925 1.881 -1.637 882 HG22 VAL 109 2HG2 VAL 109 -13.979 2.636 -2.920 883 HG23 VAL 109 3HG2 VAL 109 -14.100 3.412 -1.341 884 H HIS 110 H HIS 110 -16.295 5.950 -5.132 885 HA HIS 110 HA HIS 110 -18.630 7.306 -3.974 886 HB2 HIS 110 1HB HIS 110 -17.078 7.754 -6.520 887 HB3 HIS 110 2HB HIS 110 -18.649 8.498 -6.234 888 HD1 HIS 110 1HD HIS 110 -17.483 10.839 -6.311 889 HD2 HIS 110 2HD HIS 110 -16.241 8.376 -3.204 890 HE1 HIS 110 1HE HIS 110 -16.246 12.340 -4.717 891 HE2 HIS 110 2HE HIS 110 -15.430 10.812 -2.888 892 H GLU 111 H GLU 111 -20.687 6.970 -4.755 893 HA GLU 111 HA GLU 111 -21.258 4.413 -5.817 894 HB2 GLU 111 1HB GLU 111 -22.988 6.863 -5.467 895 HB3 GLU 111 2HB GLU 111 -23.606 5.306 -5.999 896 HG2 GLU 111 1HG GLU 111 -22.476 4.431 -3.820 897 HG3 GLU 111 2HG GLU 111 -22.570 6.120 -3.327 898 H SER 112 H SER 112 -21.216 3.733 -7.847 899 HA SER 112 HA SER 112 -20.647 5.487 -10.012 900 HB2 SER 112 1HB SER 112 -19.837 3.164 -9.964 901 HB3 SER 112 2HB SER 112 -21.498 2.580 -10.057 902 HG SER 112 HG SER 112 -20.230 4.204 -12.011 903 H THR 113 H THR 113 -22.424 6.965 -9.911 904 HA THR 113 HA THR 113 -25.121 6.185 -10.210 905 HB THR 113 HB THR 113 -23.855 8.816 -11.000 906 HG1 THR 113 1HG THR 113 -24.438 9.453 -8.892 907 HG21 THR 113 1HG2 THR 113 -26.185 8.280 -11.864 908 HG22 THR 113 2HG2 THR 113 -26.024 9.757 -10.913 909 HG23 THR 113 3HG2 THR 113 -26.706 8.306 -10.179 910 H GLY 114 H GLY 114 -22.786 7.459 -12.589 911 HA2 GLY 114 1HA GLY 114 -22.686 6.280 -14.753 912 HA3 GLY 114 2HA GLY 114 -24.440 6.207 -14.694 913 H THR 115 H THR 115 -25.654 8.055 -15.159 914 HA THR 115 HA THR 115 -24.138 10.340 -16.229 915 HB THR 115 HB THR 115 -26.572 9.106 -17.533 916 HG1 THR 115 1HG THR 115 -24.853 8.806 -19.243 917 HG21 THR 115 1HG2 THR 115 -25.214 11.673 -17.831 918 HG22 THR 115 2HG2 THR 115 -26.802 11.160 -18.403 919 HG23 THR 115 3HG2 THR 115 -25.360 10.784 -19.346 920 H THR 116 H THR 116 -24.986 12.341 -15.853 921 HA THR 116 HA THR 116 -27.480 12.436 -14.283 922 HB THR 116 HB THR 116 -26.574 14.469 -13.188 923 HG1 THR 116 1HG THR 116 -24.483 13.946 -14.961 924 HG21 THR 116 1HG2 THR 116 -26.253 12.042 -12.349 925 HG22 THR 116 2HG2 THR 116 -25.296 13.325 -11.608 926 HG23 THR 116 3HG2 THR 116 -24.569 12.269 -12.819 927 HA PRO 117 HA PRO 117 -29.184 15.150 -17.291 928 HB2 PRO 117 1HB PRO 117 -30.873 16.599 -15.737 929 HB3 PRO 117 2HB PRO 117 -31.180 14.915 -16.177 930 HG2 PRO 117 1HG PRO 117 -30.046 16.034 -13.642 931 HG3 PRO 117 2HG PRO 117 -31.246 14.746 -13.858 932 HD2 PRO 117 1HD PRO 117 -28.640 14.235 -13.333 933 HD3 PRO 117 2HD PRO 117 -29.643 13.158 -14.326 934 H ASN 118 H ASN 118 -28.068 16.753 -18.202 935 HA ASN 118 HA ASN 118 -26.322 18.499 -17.004 936 HB2 ASN 118 1HB ASN 118 -27.997 19.091 -19.453 937 HB3 ASN 118 2HB ASN 118 -26.474 19.863 -19.023 938 HD21 ASN 118 1HD2 ASN 118 -27.256 18.312 -21.393 939 HD22 ASN 118 2HD2 ASN 118 -26.104 17.029 -21.510 940 H ILE 119 H ILE 119 -26.471 20.858 -16.721 941 HA ILE 119 HA ILE 119 -28.833 21.522 -15.184 942 HB ILE 119 HB ILE 119 -26.268 23.036 -15.670 943 HG12 ILE 119 1HG1 ILE 119 -26.258 22.588 -13.058 944 HG13 ILE 119 2HG1 ILE 119 -27.316 21.256 -13.511 945 HG21 ILE 119 1HG2 ILE 119 -27.358 24.874 -15.051 946 HG22 ILE 119 2HG2 ILE 119 -28.818 23.959 -14.680 947 HG23 ILE 119 3HG2 ILE 119 -27.555 24.134 -13.462 948 HD11 ILE 119 1HD1 ILE 119 -25.653 20.101 -14.515 949 HD12 ILE 119 2HD1 ILE 119 -24.807 21.557 -15.042 950 HD13 ILE 119 3HD1 ILE 119 -24.677 21.018 -13.368 951 H ASP 120 H ASP 120 -30.562 22.342 -16.149 952 HA ASP 120 HA ASP 120 -30.906 23.196 -18.690 953 HB2 ASP 120 1HB ASP 120 -32.674 22.952 -16.889 954 HB3 ASP 120 2HB ASP 120 -32.255 24.582 -16.371 955 H SER 121 H SER 121 -30.542 24.976 -19.909 956 HA SER 121 HA SER 121 -29.545 27.409 -18.633 957 HB2 SER 121 1HB SER 121 -27.995 25.661 -20.506 958 HB3 SER 121 2HB SER 121 -27.765 27.408 -20.578 959 HG SER 121 HG SER 121 -26.300 26.539 -19.123 960 H GLY 122 H GLY 122 -29.682 29.286 -19.959 961 HA2 GLY 122 1HA GLY 122 -30.932 29.046 -22.572 962 HA3 GLY 122 2HA GLY 122 -31.932 29.771 -21.322 963 HA PRO 123 HA PRO 123 -28.335 32.656 -22.908 964 HB2 PRO 123 1HB PRO 123 -28.735 33.020 -25.568 965 HB3 PRO 123 2HB PRO 123 -27.644 31.790 -24.921 966 HG2 PRO 123 1HG PRO 123 -30.454 31.498 -25.910 967 HG3 PRO 123 2HG PRO 123 -29.052 30.451 -26.198 968 HD2 PRO 123 1HD PRO 123 -30.957 29.863 -24.366 969 HD3 PRO 123 2HD PRO 123 -29.255 29.404 -24.154 970 H SER 124 H SER 124 -28.879 34.690 -22.456 971 HA SER 124 HA SER 124 -31.599 35.574 -22.674 972 HB2 SER 124 1HB SER 124 -30.823 37.611 -21.593 973 HB3 SER 124 2HB SER 124 -30.123 36.213 -20.777 974 HG SER 124 HG SER 124 -28.312 36.657 -22.402 975 H SER 125 H SER 125 -32.510 36.864 -24.164 976 HA SER 125 HA SER 125 -31.385 37.186 -26.691 977 HB2 SER 125 1HB SER 125 -33.628 38.763 -25.405 978 HB3 SER 125 2HB SER 125 -33.263 38.743 -27.131 979 HG SER 125 HG SER 125 -34.365 36.973 -27.260 980 H GLY 126 H GLY 126 -30.528 38.965 -27.793 981 HA2 GLY 126 1HA GLY 126 -29.129 40.854 -26.049 982 HA3 GLY 126 2HA GLY 126 -28.751 40.524 -27.733 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 16.827 23.955 14.063 2 HA2 GLY 1 1HA GLY 1 14.814 22.842 13.811 3 HA3 GLY 1 2HA GLY 1 15.346 22.316 12.221 4 H SER 2 H SER 2 13.946 20.671 14.010 5 HA SER 2 HA SER 2 15.713 18.974 15.464 6 HB2 SER 2 1HB SER 2 13.164 19.304 15.775 7 HB3 SER 2 2HB SER 2 13.000 18.125 14.474 8 HG SER 2 HG SER 2 14.410 17.725 16.907 9 H SER 3 H SER 3 15.859 16.593 14.993 10 HA SER 3 HA SER 3 17.073 16.210 12.463 11 HB2 SER 3 1HB SER 3 16.248 14.163 14.535 12 HB3 SER 3 2HB SER 3 17.328 13.860 13.174 13 HG SER 3 HG SER 3 18.795 15.313 14.063 14 H GLY 4 H GLY 4 16.481 14.281 11.051 15 HA2 GLY 4 1HA GLY 4 13.563 13.969 10.820 16 HA3 GLY 4 2HA GLY 4 14.487 14.513 9.427 17 H SER 5 H SER 5 14.120 12.789 8.101 18 HA SER 5 HA SER 5 15.302 10.237 8.972 19 HB2 SER 5 1HB SER 5 13.078 9.608 8.969 20 HB3 SER 5 2HB SER 5 12.644 10.756 7.704 21 HG SER 5 HG SER 5 12.828 9.143 6.386 22 H SER 6 H SER 6 17.227 10.550 7.906 23 HA SER 6 HA SER 6 17.251 11.304 5.110 24 HB2 SER 6 1HB SER 6 19.447 10.602 7.065 25 HB3 SER 6 2HB SER 6 19.749 10.985 5.370 26 HG SER 6 HG SER 6 19.932 12.804 6.806 27 H GLY 7 H GLY 7 16.551 9.765 3.749 28 HA2 GLY 7 1HA GLY 7 16.637 7.833 2.500 29 HA3 GLY 7 2HA GLY 7 18.124 7.426 3.343 30 H ILE 8 H ILE 8 14.841 6.713 2.965 31 HA ILE 8 HA ILE 8 14.955 4.884 5.272 32 HB ILE 8 HB ILE 8 13.355 6.717 5.687 33 HG12 ILE 8 1HG1 ILE 8 11.727 4.243 5.199 34 HG13 ILE 8 2HG1 ILE 8 13.040 4.217 6.372 35 HG21 ILE 8 1HG2 ILE 8 11.186 6.537 4.286 36 HG22 ILE 8 2HG2 ILE 8 12.566 7.409 3.622 37 HG23 ILE 8 3HG2 ILE 8 12.223 5.764 3.088 38 HD11 ILE 8 1HD1 ILE 8 11.967 5.663 7.799 39 HD12 ILE 8 2HD1 ILE 8 10.967 6.353 6.520 40 HD13 ILE 8 3HD1 ILE 8 10.620 4.738 7.137 41 H LEU 9 H LEU 9 13.590 2.954 5.045 42 HA LEU 9 HA LEU 9 14.115 1.516 2.744 43 HB2 LEU 9 1HB LEU 9 13.363 0.694 5.040 44 HB3 LEU 9 2HB LEU 9 11.720 0.996 4.480 45 HG LEU 9 HG LEU 9 12.385 -0.574 2.513 46 HD11 LEU 9 1HD1 LEU 9 14.431 -1.280 4.607 47 HD12 LEU 9 2HD1 LEU 9 14.728 -0.767 2.947 48 HD13 LEU 9 3HD1 LEU 9 13.980 -2.331 3.264 49 HD21 LEU 9 1HD2 LEU 9 10.672 -1.090 4.151 50 HD22 LEU 9 2HD2 LEU 9 11.903 -1.590 5.312 51 HD23 LEU 9 3HD2 LEU 9 11.659 -2.517 3.831 52 H PHE 10 H PHE 10 10.871 2.653 3.708 53 HA PHE 10 HA PHE 10 9.784 2.243 1.111 54 HB2 PHE 10 1HB PHE 10 8.692 2.528 3.571 55 HB3 PHE 10 2HB PHE 10 8.415 4.141 2.922 56 HD1 PHE 10 2HD PHE 10 8.317 0.770 1.336 57 HD2 PHE 10 1HD PHE 10 6.197 4.319 2.346 58 HE1 PHE 10 2HE PHE 10 6.349 -0.064 0.118 59 HE2 PHE 10 1HE PHE 10 4.225 3.492 1.131 60 HZ PHE 10 HZ PHE 10 4.299 1.298 0.013 61 H ILE 11 H ILE 11 11.036 3.390 -0.363 62 HA ILE 11 HA ILE 11 11.728 6.108 -0.126 63 HB ILE 11 HB ILE 11 12.767 4.476 -1.721 64 HG12 ILE 11 1HG1 ILE 11 12.665 6.249 -3.694 65 HG13 ILE 11 2HG1 ILE 11 11.843 7.214 -2.473 66 HG21 ILE 11 1HG2 ILE 11 10.591 3.563 -2.535 67 HG22 ILE 11 2HG2 ILE 11 10.367 5.057 -3.444 68 HG23 ILE 11 3HG2 ILE 11 11.724 3.994 -3.816 69 HD11 ILE 11 1HD1 ILE 11 14.215 7.707 -2.531 70 HD12 ILE 11 2HD1 ILE 11 13.768 6.969 -0.992 71 HD13 ILE 11 3HD1 ILE 11 14.590 6.011 -2.223 72 H GLU 12 H GLU 12 9.070 4.533 -1.896 73 HA GLU 12 HA GLU 12 7.738 7.157 -2.047 74 HB2 GLU 12 1HB GLU 12 8.427 5.748 -4.183 75 HB3 GLU 12 2HB GLU 12 6.932 4.898 -3.822 76 HG2 GLU 12 1HG GLU 12 6.314 6.538 -5.351 77 HG3 GLU 12 2HG GLU 12 5.830 7.194 -3.788 78 H LYS 13 H LYS 13 5.443 7.207 -1.771 79 HA LYS 13 HA LYS 13 4.386 4.920 -0.243 80 HB2 LYS 13 1HB LYS 13 3.797 7.848 0.230 81 HB3 LYS 13 2HB LYS 13 3.142 6.498 1.148 82 HG2 LYS 13 1HG LYS 13 5.116 6.109 2.251 83 HG3 LYS 13 2HG LYS 13 6.097 6.835 0.975 84 HD2 LYS 13 1HD LYS 13 4.191 8.584 2.441 85 HD3 LYS 13 2HD LYS 13 5.657 8.071 3.278 86 HE2 LYS 13 1HE LYS 13 6.950 8.885 1.279 87 HE3 LYS 13 2HE LYS 13 5.448 9.590 0.686 88 HZ1 LYS 13 1HZ LYS 13 5.393 11.122 2.394 89 HZ2 LYS 13 2HZ LYS 13 7.048 11.041 2.052 90 HZ3 LYS 13 3HZ LYS 13 6.421 10.224 3.394 91 HA PRO 14 HA PRO 14 1.100 4.833 -3.175 92 HB2 PRO 14 1HB PRO 14 -0.748 3.507 -1.693 93 HB3 PRO 14 2HB PRO 14 0.667 2.715 -2.397 94 HG2 PRO 14 1HG PRO 14 0.238 3.688 0.401 95 HG3 PRO 14 2HG PRO 14 0.972 2.174 -0.156 96 HD2 PRO 14 1HD PRO 14 2.446 4.294 0.659 97 HD3 PRO 14 2HD PRO 14 3.000 3.175 -0.603 98 H GLN 15 H GLN 15 0.407 6.929 -3.456 99 HA GLN 15 HA GLN 15 -1.006 8.394 -1.464 100 HB2 GLN 15 1HB GLN 15 -0.679 8.828 -4.434 101 HB3 GLN 15 2HB GLN 15 -1.509 9.957 -3.372 102 HG2 GLN 15 1HG GLN 15 1.390 9.171 -3.296 103 HG3 GLN 15 2HG GLN 15 0.710 10.744 -3.712 104 HE21 GLN 15 1HE2 GLN 15 2.643 9.953 -1.636 105 HE22 GLN 15 2HE2 GLN 15 1.978 10.518 -0.145 106 H GLY 16 H GLY 16 -3.017 8.013 -0.825 107 HA2 GLY 16 1HA GLY 16 -4.800 6.252 -2.053 108 HA3 GLY 16 2HA GLY 16 -5.244 7.462 -0.859 109 H GLY 17 H GLY 17 -6.956 6.734 -2.923 110 HA2 GLY 17 1HA GLY 17 -7.226 9.314 -4.262 111 HA3 GLY 17 2HA GLY 17 -7.091 7.901 -5.297 112 H THR 18 H THR 18 -9.161 8.211 -6.154 113 HA THR 18 HA THR 18 -11.302 7.251 -4.407 114 HB THR 18 HB THR 18 -11.820 9.575 -6.251 115 HG1 THR 18 1HG THR 18 -11.594 9.963 -3.481 116 HG21 THR 18 1HG2 THR 18 -13.300 8.261 -3.983 117 HG22 THR 18 2HG2 THR 18 -13.820 8.472 -5.655 118 HG23 THR 18 3HG2 THR 18 -13.722 9.866 -4.579 119 H VAL 19 H VAL 19 -12.065 5.490 -5.362 120 HA VAL 19 HA VAL 19 -12.227 5.439 -8.306 121 HB VAL 19 HB VAL 19 -10.673 3.765 -7.366 122 HG11 VAL 19 1HG1 VAL 19 -12.445 3.517 -5.331 123 HG12 VAL 19 2HG1 VAL 19 -12.827 2.083 -6.286 124 HG13 VAL 19 3HG1 VAL 19 -11.183 2.342 -5.701 125 HG21 VAL 19 1HG2 VAL 19 -12.913 3.258 -9.105 126 HG22 VAL 19 2HG2 VAL 19 -11.247 2.693 -9.230 127 HG23 VAL 19 3HG2 VAL 19 -12.418 1.783 -8.275 128 H LYS 20 H LYS 20 -14.113 4.817 -9.281 129 HA LYS 20 HA LYS 20 -16.515 5.093 -7.753 130 HB2 LYS 20 1HB LYS 20 -16.123 5.812 -10.179 131 HB3 LYS 20 2HB LYS 20 -16.338 4.118 -10.599 132 HG2 LYS 20 1HG LYS 20 -18.419 5.188 -10.937 133 HG3 LYS 20 2HG LYS 20 -18.574 4.220 -9.469 134 HD2 LYS 20 1HD LYS 20 -19.580 6.302 -8.982 135 HD3 LYS 20 2HD LYS 20 -18.007 6.328 -8.183 136 HE2 LYS 20 1HE LYS 20 -17.938 8.375 -9.176 137 HE3 LYS 20 2HE LYS 20 -17.275 7.407 -10.493 138 HZ1 LYS 20 1HZ LYS 20 -18.878 8.375 -11.690 139 HZ2 LYS 20 2HZ LYS 20 -19.781 8.828 -10.334 140 HZ3 LYS 20 3HZ LYS 20 -19.919 7.262 -10.956 141 H VAL 21 H VAL 21 -18.229 3.535 -7.614 142 HA VAL 21 HA VAL 21 -17.371 0.988 -6.766 143 HB VAL 21 HB VAL 21 -20.131 2.027 -7.402 144 HG11 VAL 21 1HG1 VAL 21 -19.398 -0.557 -6.030 145 HG12 VAL 21 2HG1 VAL 21 -21.027 0.067 -6.298 146 HG13 VAL 21 3HG1 VAL 21 -20.032 -0.421 -7.670 147 HG21 VAL 21 1HG2 VAL 21 -18.952 1.395 -4.711 148 HG22 VAL 21 2HG2 VAL 21 -18.772 2.978 -5.467 149 HG23 VAL 21 3HG2 VAL 21 -20.379 2.361 -5.087 150 H GLY 22 H GLY 22 -16.851 -0.741 -7.925 151 HA2 GLY 22 1HA GLY 22 -17.291 -2.434 -9.515 152 HA3 GLY 22 2HA GLY 22 -18.310 -1.307 -10.398 153 H GLU 23 H GLU 23 -15.692 0.467 -9.716 154 HA GLU 23 HA GLU 23 -14.576 0.043 -12.365 155 HB2 GLU 23 1HB GLU 23 -14.425 2.195 -10.308 156 HB3 GLU 23 2HB GLU 23 -13.099 2.057 -11.455 157 HG2 GLU 23 1HG GLU 23 -14.768 2.182 -13.297 158 HG3 GLU 23 2HG GLU 23 -16.005 2.507 -12.083 159 H ASP 24 H ASP 24 -12.010 0.616 -12.267 160 HA ASP 24 HA ASP 24 -10.815 -1.273 -10.349 161 HB2 ASP 24 1HB ASP 24 -9.347 -2.122 -12.061 162 HB3 ASP 24 2HB ASP 24 -11.005 -2.240 -12.646 163 H ILE 25 H ILE 25 -9.155 -0.496 -9.216 164 HA ILE 25 HA ILE 25 -7.712 1.848 -10.254 165 HB ILE 25 HB ILE 25 -9.191 2.754 -8.616 166 HG12 ILE 25 1HG1 ILE 25 -6.599 2.372 -7.125 167 HG13 ILE 25 2HG1 ILE 25 -6.700 3.365 -8.575 168 HG21 ILE 25 1HG2 ILE 25 -9.831 0.707 -7.489 169 HG22 ILE 25 2HG2 ILE 25 -8.227 0.575 -6.770 170 HG23 ILE 25 3HG2 ILE 25 -9.291 1.902 -6.309 171 HD11 ILE 25 1HD1 ILE 25 -7.019 4.975 -7.023 172 HD12 ILE 25 2HD1 ILE 25 -8.696 4.456 -7.203 173 HD13 ILE 25 3HD1 ILE 25 -7.729 3.864 -5.852 174 H THR 26 H THR 26 -5.555 2.093 -9.496 175 HA THR 26 HA THR 26 -4.405 -0.211 -8.094 176 HB THR 26 HB THR 26 -3.064 0.917 -10.544 177 HG1 THR 26 1HG THR 26 -5.277 -0.284 -10.729 178 HG21 THR 26 1HG2 THR 26 -1.835 -1.205 -10.471 179 HG22 THR 26 2HG2 THR 26 -2.745 -1.683 -9.039 180 HG23 THR 26 3HG2 THR 26 -1.649 -0.304 -8.967 181 H PHE 27 H PHE 27 -2.712 0.263 -6.768 182 HA PHE 27 HA PHE 27 -1.967 3.103 -6.584 183 HB2 PHE 27 1HB PHE 27 -1.844 0.953 -4.458 184 HB3 PHE 27 2HB PHE 27 -1.406 2.644 -4.234 185 HD1 PHE 27 1HD PHE 27 -4.183 0.304 -4.771 186 HD2 PHE 27 2HD PHE 27 -3.073 4.332 -3.957 187 HE1 PHE 27 1HE PHE 27 -6.512 0.821 -4.169 188 HE2 PHE 27 2HE PHE 27 -5.399 4.854 -3.353 189 HZ PHE 27 HZ PHE 27 -7.123 3.098 -3.457 190 H ILE 28 H ILE 28 0.231 3.631 -6.046 191 HA ILE 28 HA ILE 28 2.139 1.625 -7.050 192 HB ILE 28 HB ILE 28 2.274 4.638 -7.126 193 HG12 ILE 28 1HG1 ILE 28 0.876 3.627 -8.862 194 HG13 ILE 28 2HG1 ILE 28 2.346 4.295 -9.564 195 HG21 ILE 28 1HG2 ILE 28 4.431 4.265 -8.349 196 HG22 ILE 28 2HG2 ILE 28 4.477 3.889 -6.627 197 HG23 ILE 28 3HG2 ILE 28 4.368 2.587 -7.811 198 HD11 ILE 28 1HD1 ILE 28 2.114 2.263 -10.636 199 HD12 ILE 28 2HD1 ILE 28 3.263 1.899 -9.348 200 HD13 ILE 28 3HD1 ILE 28 1.570 1.438 -9.175 201 H ALA 29 H ALA 29 3.975 1.164 -5.910 202 HA ALA 29 HA ALA 29 4.639 2.692 -3.530 203 HB1 ALA 29 1HB ALA 29 4.016 1.220 -1.962 204 HB2 ALA 29 2HB ALA 29 2.942 0.582 -3.207 205 HB3 ALA 29 3HB ALA 29 4.514 -0.169 -2.929 206 H LYS 30 H LYS 30 6.753 3.004 -3.665 207 HA LYS 30 HA LYS 30 8.422 0.908 -4.882 208 HB2 LYS 30 1HB LYS 30 8.540 3.878 -4.884 209 HB3 LYS 30 2HB LYS 30 10.072 3.016 -4.868 210 HG2 LYS 30 1HG LYS 30 9.801 2.206 -6.973 211 HG3 LYS 30 2HG LYS 30 8.041 2.154 -6.846 212 HD2 LYS 30 1HD LYS 30 9.374 4.814 -6.818 213 HD3 LYS 30 2HD LYS 30 9.280 3.946 -8.352 214 HE2 LYS 30 1HE LYS 30 6.762 3.638 -7.612 215 HE3 LYS 30 2HE LYS 30 7.107 5.086 -6.668 216 HZ1 LYS 30 1HZ LYS 30 7.827 6.182 -8.713 217 HZ2 LYS 30 2HZ LYS 30 6.219 5.671 -8.819 218 HZ3 LYS 30 3HZ LYS 30 7.437 4.799 -9.606 219 H VAL 31 H VAL 31 10.368 0.300 -3.899 220 HA VAL 31 HA VAL 31 10.849 1.288 -1.179 221 HB VAL 31 HB VAL 31 10.854 -1.656 -1.843 222 HG11 VAL 31 1HG1 VAL 31 12.054 -0.253 0.218 223 HG12 VAL 31 2HG1 VAL 31 10.567 -0.877 0.935 224 HG13 VAL 31 3HG1 VAL 31 11.718 -1.983 0.185 225 HG21 VAL 31 1HG2 VAL 31 8.618 -1.480 -1.803 226 HG22 VAL 31 2HG2 VAL 31 8.822 -1.311 -0.059 227 HG23 VAL 31 3HG2 VAL 31 8.659 0.124 -1.071 228 H LYS 32 H LYS 32 12.937 1.652 -0.769 229 HA LYS 32 HA LYS 32 14.890 1.195 -2.817 230 HB2 LYS 32 1HB LYS 32 14.756 3.193 -1.221 231 HB3 LYS 32 2HB LYS 32 15.461 2.130 -0.010 232 HG2 LYS 32 1HG LYS 32 17.327 3.171 -0.829 233 HG3 LYS 32 2HG LYS 32 17.277 1.727 -1.842 234 HD2 LYS 32 1HD LYS 32 15.791 3.319 -3.366 235 HD3 LYS 32 2HD LYS 32 16.729 4.563 -2.536 236 HE2 LYS 32 1HE LYS 32 18.110 2.202 -3.745 237 HE3 LYS 32 2HE LYS 32 17.603 3.544 -4.770 238 HZ1 LYS 32 1HZ LYS 32 19.529 4.469 -4.199 239 HZ2 LYS 32 2HZ LYS 32 19.791 3.385 -2.927 240 HZ3 LYS 32 3HZ LYS 32 18.841 4.763 -2.681 241 H ALA 33 H ALA 33 16.281 -0.441 -3.012 242 HA ALA 33 HA ALA 33 16.759 -2.175 -0.684 243 HB1 ALA 33 1HB ALA 33 15.364 -3.604 -1.770 244 HB2 ALA 33 2HB ALA 33 15.721 -2.925 -3.358 245 HB3 ALA 33 3HB ALA 33 16.870 -4.020 -2.589 246 H GLU 34 H GLU 34 18.700 -3.576 -0.971 247 HA GLU 34 HA GLU 34 20.736 -2.246 -2.635 248 HB2 GLU 34 1HB GLU 34 21.179 -3.458 0.099 249 HB3 GLU 34 2HB GLU 34 22.378 -2.631 -0.886 250 HG2 GLU 34 1HG GLU 34 21.192 -0.545 -0.654 251 HG3 GLU 34 2HG GLU 34 19.893 -1.349 0.225 252 H ASP 35 H ASP 35 19.756 -5.251 -1.042 253 HA ASP 35 HA ASP 35 21.633 -6.785 -2.658 254 HB2 ASP 35 1HB ASP 35 19.679 -7.676 -0.526 255 HB3 ASP 35 2HB ASP 35 20.858 -8.714 -1.324 256 H LEU 36 H LEU 36 21.090 -8.059 -4.347 257 HA LEU 36 HA LEU 36 18.485 -7.694 -5.517 258 HB2 LEU 36 1HB LEU 36 20.625 -9.548 -6.515 259 HB3 LEU 36 2HB LEU 36 19.351 -8.751 -7.435 260 HG LEU 36 HG LEU 36 21.717 -7.360 -6.181 261 HD11 LEU 36 1HD1 LEU 36 21.233 -7.800 -9.110 262 HD12 LEU 36 2HD1 LEU 36 22.162 -8.936 -8.133 263 HD13 LEU 36 3HD1 LEU 36 22.707 -7.268 -8.301 264 HD21 LEU 36 1HD2 LEU 36 19.637 -6.010 -6.403 265 HD22 LEU 36 2HD2 LEU 36 19.678 -6.315 -8.140 266 HD23 LEU 36 3HD2 LEU 36 20.985 -5.414 -7.371 267 H LEU 37 H LEU 37 20.324 -10.386 -4.137 268 HA LEU 37 HA LEU 37 18.553 -12.457 -4.699 269 HB2 LEU 37 1HB LEU 37 20.291 -12.114 -2.260 270 HB3 LEU 37 2HB LEU 37 19.570 -13.627 -2.803 271 HG LEU 37 HG LEU 37 21.489 -12.102 -4.535 272 HD11 LEU 37 1HD1 LEU 37 22.915 -14.185 -3.413 273 HD12 LEU 37 2HD1 LEU 37 22.060 -13.474 -2.045 274 HD13 LEU 37 3HD1 LEU 37 23.104 -12.470 -3.050 275 HD21 LEU 37 1HD2 LEU 37 21.387 -13.881 -5.889 276 HD22 LEU 37 2HD2 LEU 37 19.908 -14.281 -5.015 277 HD23 LEU 37 3HD2 LEU 37 21.438 -15.025 -4.547 278 H ARG 38 H ARG 38 18.814 -10.647 -1.632 279 HA ARG 38 HA ARG 38 16.463 -11.715 -0.508 280 HB2 ARG 38 1HB ARG 38 17.692 -9.033 0.139 281 HB3 ARG 38 2HB ARG 38 16.685 -10.025 1.186 282 HG2 ARG 38 1HG ARG 38 19.445 -10.738 0.214 283 HG3 ARG 38 2HG ARG 38 19.035 -10.138 1.822 284 HD2 ARG 38 1HD ARG 38 17.731 -12.099 2.284 285 HD3 ARG 38 2HD ARG 38 17.918 -12.667 0.625 286 HE ARG 38 HE ARG 38 20.466 -12.493 1.482 287 HH11 ARG 38 2HH1 ARG 38 17.619 -13.986 2.817 288 HH12 ARG 38 1HH1 ARG 38 18.496 -15.246 3.620 289 HH21 ARG 38 2HH2 ARG 38 21.633 -14.146 2.535 290 HH22 ARG 38 1HH2 ARG 38 20.780 -15.335 3.460 291 H LYS 39 H LYS 39 14.370 -11.174 -0.677 292 HA LYS 39 HA LYS 39 13.678 -8.697 -2.107 293 HB2 LYS 39 1HB LYS 39 13.480 -10.672 -3.607 294 HB3 LYS 39 2HB LYS 39 12.319 -11.372 -2.485 295 HG2 LYS 39 1HG LYS 39 10.657 -9.931 -3.084 296 HG3 LYS 39 2HG LYS 39 11.781 -8.646 -3.535 297 HD2 LYS 39 1HD LYS 39 10.816 -9.439 -5.551 298 HD3 LYS 39 2HD LYS 39 12.457 -10.086 -5.493 299 HE2 LYS 39 1HE LYS 39 11.468 -12.187 -4.513 300 HE3 LYS 39 2HE LYS 39 9.879 -11.525 -4.896 301 HZ1 LYS 39 1HZ LYS 39 10.581 -11.392 -7.233 302 HZ2 LYS 39 2HZ LYS 39 10.595 -12.979 -6.649 303 HZ3 LYS 39 3HZ LYS 39 12.048 -12.133 -6.832 304 HA PRO 40 HA PRO 40 11.261 -8.189 1.606 305 HB2 PRO 40 1HB PRO 40 10.237 -5.767 0.930 306 HB3 PRO 40 2HB PRO 40 11.887 -5.980 1.529 307 HG2 PRO 40 1HG PRO 40 10.918 -5.668 -1.287 308 HG3 PRO 40 2HG PRO 40 12.323 -4.927 -0.498 309 HD2 PRO 40 1HD PRO 40 12.534 -7.078 -2.128 310 HD3 PRO 40 2HD PRO 40 13.618 -6.817 -0.747 311 H THR 41 H THR 41 8.992 -7.883 2.143 312 HA THR 41 HA THR 41 7.171 -8.542 -0.079 313 HB THR 41 HB THR 41 7.026 -9.647 2.733 314 HG1 THR 41 1HG THR 41 8.542 -10.861 1.771 315 HG21 THR 41 1HG2 THR 41 5.322 -11.175 1.455 316 HG22 THR 41 2HG2 THR 41 5.216 -9.795 0.361 317 HG23 THR 41 3HG2 THR 41 4.817 -9.600 2.068 318 H ILE 42 H ILE 42 5.348 -7.369 -0.217 319 HA ILE 42 HA ILE 42 4.843 -5.407 1.918 320 HB ILE 42 HB ILE 42 5.347 -4.428 -0.277 321 HG12 ILE 42 1HG1 ILE 42 2.414 -3.985 0.191 322 HG13 ILE 42 2HG1 ILE 42 3.589 -3.508 1.411 323 HG21 ILE 42 1HG2 ILE 42 4.324 -4.982 -2.221 324 HG22 ILE 42 2HG2 ILE 42 4.093 -6.513 -1.377 325 HG23 ILE 42 3HG2 ILE 42 2.783 -5.334 -1.439 326 HD11 ILE 42 1HD1 ILE 42 3.927 -1.618 0.324 327 HD12 ILE 42 2HD1 ILE 42 4.488 -2.522 -1.082 328 HD13 ILE 42 3HD1 ILE 42 2.780 -2.117 -0.919 329 H LYS 43 H LYS 43 3.014 -5.505 3.051 330 HA LYS 43 HA LYS 43 0.855 -7.248 2.057 331 HB2 LYS 43 1HB LYS 43 2.147 -8.034 4.106 332 HB3 LYS 43 2HB LYS 43 1.430 -6.675 4.962 333 HG2 LYS 43 1HG LYS 43 -0.061 -8.300 5.508 334 HG3 LYS 43 2HG LYS 43 -0.806 -7.712 4.019 335 HD2 LYS 43 1HD LYS 43 -0.817 -10.030 3.761 336 HD3 LYS 43 2HD LYS 43 0.606 -9.520 2.849 337 HE2 LYS 43 1HE LYS 43 1.869 -9.933 5.075 338 HE3 LYS 43 2HE LYS 43 0.449 -10.882 5.512 339 HZ1 LYS 43 1HZ LYS 43 1.998 -11.324 3.022 340 HZ2 LYS 43 2HZ LYS 43 0.802 -12.322 3.682 341 HZ3 LYS 43 3HZ LYS 43 2.295 -12.162 4.462 342 H TRP 44 H TRP 44 -0.967 -6.222 1.594 343 HA TRP 44 HA TRP 44 -1.385 -3.517 2.607 344 HB2 TRP 44 1HB TRP 44 -3.049 -5.021 0.581 345 HB3 TRP 44 2HB TRP 44 -3.048 -3.286 0.887 346 HD1 TRP 44 HD TRP 44 -0.609 -5.999 -0.434 347 HE1 TRP 44 1HE TRP 44 0.928 -4.897 -2.180 348 HE3 TRP 44 3HE TRP 44 -2.265 -1.178 -0.045 349 HZ2 TRP 44 2HZ TRP 44 1.380 -2.325 -3.250 350 HZ3 TRP 44 3HZ TRP 44 -1.227 0.543 -1.465 351 HH2 TRP 44 HH TRP 44 0.558 -0.020 -3.033 352 H PHE 45 H PHE 45 -2.815 -3.020 4.141 353 HA PHE 45 HA PHE 45 -4.788 -5.068 4.915 354 HB2 PHE 45 1HB PHE 45 -3.053 -3.299 6.619 355 HB3 PHE 45 2HB PHE 45 -4.563 -3.954 7.243 356 HD1 PHE 45 1HD PHE 45 -4.852 -6.407 7.441 357 HD2 PHE 45 2HD PHE 45 -1.119 -4.643 6.409 358 HE1 PHE 45 1HE PHE 45 -3.704 -8.504 8.024 359 HE2 PHE 45 2HE PHE 45 0.035 -6.737 6.989 360 HZ PHE 45 HZ PHE 45 -1.257 -8.671 7.798 361 H LYS 46 H LYS 46 -6.786 -4.295 5.787 362 HA LYS 46 HA LYS 46 -7.403 -1.503 5.079 363 HB2 LYS 46 1HB LYS 46 -8.341 -2.992 3.387 364 HB3 LYS 46 2HB LYS 46 -9.141 -3.938 4.636 365 HG2 LYS 46 1HG LYS 46 -10.717 -2.466 3.540 366 HG3 LYS 46 2HG LYS 46 -10.506 -1.995 5.228 367 HD2 LYS 46 1HD LYS 46 -8.860 -0.275 4.455 368 HD3 LYS 46 2HD LYS 46 -9.307 -0.677 2.795 369 HE2 LYS 46 1HE LYS 46 -10.587 1.223 3.397 370 HE3 LYS 46 2HE LYS 46 -11.688 -0.154 3.433 371 HZ1 LYS 46 1HZ LYS 46 -11.283 -0.254 5.873 372 HZ2 LYS 46 2HZ LYS 46 -12.084 1.146 5.362 373 HZ3 LYS 46 3HZ LYS 46 -10.439 1.208 5.754 374 H GLY 47 H GLY 47 -8.904 -0.426 6.380 375 HA2 GLY 47 1HA GLY 47 -9.973 0.102 8.341 376 HA3 GLY 47 2HA GLY 47 -10.436 -1.592 8.419 377 H LYS 48 H LYS 48 -10.022 -2.244 10.429 378 HA LYS 48 HA LYS 48 -7.487 -1.440 11.679 379 HB2 LYS 48 1HB LYS 48 -9.583 -0.943 12.915 380 HB3 LYS 48 2HB LYS 48 -9.938 -2.664 12.960 381 HG2 LYS 48 1HG LYS 48 -8.153 -3.107 14.414 382 HG3 LYS 48 2HG LYS 48 -7.405 -1.539 14.106 383 HD2 LYS 48 1HD LYS 48 -9.712 -0.662 15.068 384 HD3 LYS 48 2HD LYS 48 -9.708 -2.244 15.852 385 HE2 LYS 48 1HE LYS 48 -7.458 -0.241 16.002 386 HE3 LYS 48 2HE LYS 48 -8.700 -0.447 17.236 387 HZ1 LYS 48 1HZ LYS 48 -7.200 -2.816 16.408 388 HZ2 LYS 48 2HZ LYS 48 -7.822 -2.408 17.927 389 HZ3 LYS 48 3HZ LYS 48 -6.397 -1.682 17.374 390 H TRP 49 H TRP 49 -9.565 -4.282 11.182 391 HA TRP 49 HA TRP 49 -7.182 -5.975 11.562 392 HB2 TRP 49 1HB TRP 49 -10.015 -6.950 11.859 393 HB3 TRP 49 2HB TRP 49 -8.532 -7.687 12.459 394 HD1 TRP 49 HD TRP 49 -10.751 -4.590 13.151 395 HE1 TRP 49 1HE TRP 49 -10.512 -3.981 15.640 396 HE3 TRP 49 3HE TRP 49 -7.183 -8.001 14.481 397 HZ2 TRP 49 2HZ TRP 49 -9.009 -4.834 17.872 398 HZ3 TRP 49 3HZ TRP 49 -6.399 -8.039 16.813 399 HH2 TRP 49 HH TRP 49 -7.293 -6.486 18.472 400 H MET 50 H MET 50 -9.953 -5.254 9.560 401 HA MET 50 HA MET 50 -10.152 -7.352 7.854 402 HB2 MET 50 1HB MET 50 -11.213 -4.925 7.827 403 HB3 MET 50 2HB MET 50 -9.976 -4.645 6.610 404 HG2 MET 50 1HG MET 50 -10.868 -6.690 5.423 405 HG3 MET 50 2HG MET 50 -12.231 -6.622 6.538 406 HE1 MET 50 1HE MET 50 -11.822 -5.914 2.911 407 HE2 MET 50 2HE MET 50 -11.465 -4.188 2.833 408 HE3 MET 50 3HE MET 50 -10.352 -5.283 3.654 409 H ASP 51 H ASP 51 -8.818 -8.448 6.580 410 HA ASP 51 HA ASP 51 -6.248 -7.216 5.855 411 HB2 ASP 51 1HB ASP 51 -5.842 -9.186 7.101 412 HB3 ASP 51 2HB ASP 51 -7.085 -10.085 6.235 413 H LEU 52 H LEU 52 -5.636 -7.014 3.765 414 HA LEU 52 HA LEU 52 -7.667 -7.514 1.744 415 HB2 LEU 52 1HB LEU 52 -4.996 -6.134 1.521 416 HB3 LEU 52 2HB LEU 52 -6.244 -6.179 0.278 417 HG LEU 52 HG LEU 52 -6.434 -4.794 2.952 418 HD11 LEU 52 1HD1 LEU 52 -6.296 -3.669 0.159 419 HD12 LEU 52 2HD1 LEU 52 -4.966 -3.687 1.317 420 HD13 LEU 52 3HD1 LEU 52 -6.421 -2.750 1.660 421 HD21 LEU 52 1HD2 LEU 52 -8.439 -5.460 0.875 422 HD22 LEU 52 2HD2 LEU 52 -8.512 -3.846 1.582 423 HD23 LEU 52 3HD2 LEU 52 -8.629 -5.270 2.618 424 H ALA 53 H ALA 53 -4.347 -8.454 2.502 425 HA ALA 53 HA ALA 53 -3.542 -9.807 0.293 426 HB1 ALA 53 1HB ALA 53 -3.241 -10.870 3.098 427 HB2 ALA 53 2HB ALA 53 -2.204 -11.216 1.714 428 HB3 ALA 53 3HB ALA 53 -2.250 -9.591 2.396 429 H SER 54 H SER 54 -6.021 -10.795 2.558 430 HA SER 54 HA SER 54 -6.274 -13.438 1.415 431 HB2 SER 54 1HB SER 54 -6.701 -12.999 3.831 432 HB3 SER 54 2HB SER 54 -8.099 -12.026 3.375 433 HG SER 54 HG SER 54 -8.808 -14.016 2.241 434 H LYS 55 H LYS 55 -7.824 -10.320 1.132 435 HA LYS 55 HA LYS 55 -10.134 -11.225 -0.266 436 HB2 LYS 55 1HB LYS 55 -8.887 -8.473 -0.316 437 HB3 LYS 55 2HB LYS 55 -10.544 -8.884 -0.740 438 HG2 LYS 55 1HG LYS 55 -9.451 -9.411 2.000 439 HG3 LYS 55 2HG LYS 55 -10.118 -7.840 1.549 440 HD2 LYS 55 1HD LYS 55 -12.208 -9.034 0.844 441 HD3 LYS 55 2HD LYS 55 -11.530 -10.505 1.547 442 HE2 LYS 55 1HE LYS 55 -11.216 -8.935 3.646 443 HE3 LYS 55 2HE LYS 55 -12.524 -8.035 2.880 444 HZ1 LYS 55 1HZ LYS 55 -12.573 -10.623 4.181 445 HZ2 LYS 55 2HZ LYS 55 -13.461 -10.530 2.745 446 HZ3 LYS 55 3HZ LYS 55 -13.799 -9.469 4.018 447 H ALA 56 H ALA 56 -6.891 -10.375 -1.198 448 HA ALA 56 HA ALA 56 -7.204 -9.808 -3.893 449 HB1 ALA 56 1HB ALA 56 -5.051 -10.446 -2.139 450 HB2 ALA 56 2HB ALA 56 -4.856 -11.358 -3.637 451 HB3 ALA 56 3HB ALA 56 -5.006 -9.601 -3.687 452 H GLY 57 H GLY 57 -8.334 -10.963 -5.321 453 HA2 GLY 57 1HA GLY 57 -7.551 -13.606 -6.024 454 HA3 GLY 57 2HA GLY 57 -9.065 -13.626 -5.133 455 H LYS 58 H LYS 58 -10.792 -12.155 -5.985 456 HA LYS 58 HA LYS 58 -10.685 -12.088 -8.930 457 HB2 LYS 58 1HB LYS 58 -12.805 -12.927 -9.079 458 HB3 LYS 58 2HB LYS 58 -12.320 -13.686 -7.569 459 HG2 LYS 58 1HG LYS 58 -13.511 -12.077 -6.285 460 HG3 LYS 58 2HG LYS 58 -13.813 -11.079 -7.709 461 HD2 LYS 58 1HD LYS 58 -15.818 -12.153 -7.599 462 HD3 LYS 58 2HD LYS 58 -14.933 -13.334 -8.567 463 HE2 LYS 58 1HE LYS 58 -14.378 -14.552 -6.481 464 HE3 LYS 58 2HE LYS 58 -15.381 -13.412 -5.585 465 HZ1 LYS 58 1HZ LYS 58 -17.224 -14.468 -6.199 466 HZ2 LYS 58 2HZ LYS 58 -16.229 -15.738 -6.707 467 HZ3 LYS 58 3HZ LYS 58 -16.748 -14.573 -7.819 468 H HIS 59 H HIS 59 -11.852 -10.482 -6.015 469 HA HIS 59 HA HIS 59 -12.706 -8.159 -7.555 470 HB2 HIS 59 1HB HIS 59 -13.089 -9.108 -4.758 471 HB3 HIS 59 2HB HIS 59 -13.146 -7.372 -5.044 472 HD1 HIS 59 1HD HIS 59 -15.198 -6.439 -6.229 473 HD2 HIS 59 2HD HIS 59 -15.183 -10.587 -5.979 474 HE1 HIS 59 1HE HIS 59 -17.504 -7.163 -6.923 475 HE2 HIS 59 2HE HIS 59 -17.497 -9.670 -6.682 476 H LEU 60 H LEU 60 -9.960 -9.285 -5.910 477 HA LEU 60 HA LEU 60 -8.721 -6.643 -6.149 478 HB2 LEU 60 1HB LEU 60 -9.343 -6.803 -3.828 479 HB3 LEU 60 2HB LEU 60 -8.614 -8.403 -3.705 480 HG LEU 60 HG LEU 60 -6.448 -7.003 -4.419 481 HD11 LEU 60 1HD1 LEU 60 -8.241 -4.967 -4.141 482 HD12 LEU 60 2HD1 LEU 60 -6.491 -4.808 -3.995 483 HD13 LEU 60 3HD1 LEU 60 -7.481 -5.006 -2.550 484 HD21 LEU 60 1HD2 LEU 60 -6.791 -6.612 -1.607 485 HD22 LEU 60 2HD2 LEU 60 -5.802 -7.802 -2.453 486 HD23 LEU 60 3HD2 LEU 60 -7.486 -8.165 -2.073 487 H GLN 61 H GLN 61 -6.534 -6.668 -6.630 488 HA GLN 61 HA GLN 61 -5.130 -9.211 -6.740 489 HB2 GLN 61 1HB GLN 61 -5.743 -7.552 -9.185 490 HB3 GLN 61 2HB GLN 61 -4.466 -8.761 -9.140 491 HG2 GLN 61 1HG GLN 61 -7.288 -9.461 -8.429 492 HG3 GLN 61 2HG GLN 61 -6.745 -9.418 -10.106 493 HE21 GLN 61 1HE2 GLN 61 -7.137 -11.340 -7.454 494 HE22 GLN 61 2HE2 GLN 61 -6.064 -12.627 -7.874 495 H LEU 62 H LEU 62 -3.141 -8.903 -6.006 496 HA LEU 62 HA LEU 62 -2.051 -6.193 -5.949 497 HB2 LEU 62 1HB LEU 62 -0.813 -8.612 -4.680 498 HB3 LEU 62 2HB LEU 62 -0.607 -6.916 -4.247 499 HG LEU 62 HG LEU 62 -3.176 -8.445 -3.858 500 HD11 LEU 62 1HD1 LEU 62 -0.793 -8.823 -2.472 501 HD12 LEU 62 2HD1 LEU 62 -2.409 -9.310 -1.962 502 HD13 LEU 62 3HD1 LEU 62 -1.753 -7.757 -1.445 503 HD21 LEU 62 1HD2 LEU 62 -2.552 -6.107 -2.210 504 HD22 LEU 62 2HD2 LEU 62 -4.049 -6.555 -3.029 505 HD23 LEU 62 3HD2 LEU 62 -2.758 -5.753 -3.925 506 H LYS 63 H LYS 63 0.115 -5.749 -6.600 507 HA LYS 63 HA LYS 63 1.272 -7.701 -8.471 508 HB2 LYS 63 1HB LYS 63 -0.040 -5.577 -9.412 509 HB3 LYS 63 2HB LYS 63 1.510 -4.804 -9.112 510 HG2 LYS 63 1HG LYS 63 2.628 -6.268 -10.607 511 HG3 LYS 63 2HG LYS 63 1.211 -7.312 -10.741 512 HD2 LYS 63 1HD LYS 63 1.207 -6.036 -12.712 513 HD3 LYS 63 2HD LYS 63 0.003 -5.267 -11.676 514 HE2 LYS 63 1HE LYS 63 1.338 -3.551 -12.681 515 HE3 LYS 63 2HE LYS 63 1.749 -3.639 -10.969 516 HZ1 LYS 63 1HZ LYS 63 3.717 -4.899 -11.523 517 HZ2 LYS 63 2HZ LYS 63 3.715 -3.439 -12.378 518 HZ3 LYS 63 3HZ LYS 63 3.314 -4.881 -13.166 519 H GLU 64 H GLU 64 3.535 -7.613 -8.722 520 HA GLU 64 HA GLU 64 5.051 -5.761 -7.076 521 HB2 GLU 64 1HB GLU 64 4.853 -7.325 -5.382 522 HB3 GLU 64 2HB GLU 64 4.793 -8.682 -6.498 523 HG2 GLU 64 1HG GLU 64 7.310 -7.119 -6.334 524 HG3 GLU 64 2HG GLU 64 6.906 -8.198 -4.999 525 H THR 65 H THR 65 6.980 -5.283 -7.955 526 HA THR 65 HA THR 65 8.176 -7.110 -9.899 527 HB THR 65 HB THR 65 6.718 -5.495 -11.155 528 HG1 THR 65 1HG THR 65 9.384 -4.914 -11.831 529 HG21 THR 65 1HG2 THR 65 7.861 -3.184 -11.413 530 HG22 THR 65 2HG2 THR 65 8.584 -3.548 -9.846 531 HG23 THR 65 3HG2 THR 65 6.830 -3.471 -10.011 532 H PHE 66 H PHE 66 10.406 -6.692 -10.328 533 HA PHE 66 HA PHE 66 11.690 -4.979 -8.303 534 HB2 PHE 66 1HB PHE 66 12.117 -7.260 -7.709 535 HB3 PHE 66 2HB PHE 66 12.546 -7.672 -9.366 536 HD1 PHE 66 1HD PHE 66 13.600 -5.361 -6.636 537 HD2 PHE 66 2HD PHE 66 14.771 -7.810 -9.915 538 HE1 PHE 66 1HE PHE 66 15.963 -4.897 -6.134 539 HE2 PHE 66 2HE PHE 66 17.136 -7.350 -9.418 540 HZ PHE 66 HZ PHE 66 17.735 -5.893 -7.525 541 H GLU 67 H GLU 67 13.541 -3.834 -8.903 542 HA GLU 67 HA GLU 67 14.166 -3.813 -11.778 543 HB2 GLU 67 1HB GLU 67 13.337 -1.566 -10.017 544 HB3 GLU 67 2HB GLU 67 14.600 -1.238 -11.193 545 HG2 GLU 67 1HG GLU 67 12.149 -2.616 -12.135 546 HG3 GLU 67 2HG GLU 67 12.044 -0.899 -11.748 547 H ARG 68 H ARG 68 16.095 -4.874 -11.620 548 HA ARG 68 HA ARG 68 18.019 -4.486 -9.610 549 HB2 ARG 68 1HB ARG 68 19.558 -5.374 -11.600 550 HB3 ARG 68 2HB ARG 68 18.457 -6.427 -10.721 551 HG2 ARG 68 1HG ARG 68 17.308 -5.058 -13.058 552 HG3 ARG 68 2HG ARG 68 18.561 -6.251 -13.403 553 HD2 ARG 68 1HD ARG 68 17.144 -7.681 -11.678 554 HD3 ARG 68 2HD ARG 68 15.856 -6.611 -12.229 555 HE ARG 68 HE ARG 68 17.381 -7.861 -14.338 556 HH11 ARG 68 2HH1 ARG 68 14.612 -8.078 -12.240 557 HH12 ARG 68 1HH1 ARG 68 13.749 -9.167 -13.275 558 HH21 ARG 68 2HH2 ARG 68 16.256 -9.295 -15.709 559 HH22 ARG 68 1HH2 ARG 68 14.686 -9.859 -15.248 560 H HIS 69 H HIS 69 17.218 -2.635 -12.397 561 HA HIS 69 HA HIS 69 19.501 -1.386 -13.172 562 HB2 HIS 69 1HB HIS 69 16.878 0.020 -12.628 563 HB3 HIS 69 2HB HIS 69 18.155 0.582 -13.704 564 HD1 HIS 69 1HD HIS 69 15.617 -2.206 -13.402 565 HD2 HIS 69 2HD HIS 69 18.023 -0.389 -16.261 566 HE1 HIS 69 1HE HIS 69 14.902 -3.187 -15.605 567 HE2 HIS 69 2HE HIS 69 16.430 -2.135 -17.310 568 H SER 70 H SER 70 17.409 -0.047 -10.608 569 HA SER 70 HA SER 70 19.811 1.193 -9.438 570 HB2 SER 70 1HB SER 70 17.737 2.580 -10.303 571 HB3 SER 70 2HB SER 70 17.051 2.121 -8.745 572 HG SER 70 HG SER 70 19.485 2.925 -8.238 573 H ARG 71 H ARG 71 18.068 -1.454 -9.049 574 HA ARG 71 HA ARG 71 17.763 -2.923 -7.338 575 HB2 ARG 71 1HB ARG 71 19.324 -0.955 -5.658 576 HB3 ARG 71 2HB ARG 71 19.038 -2.652 -5.296 577 HG2 ARG 71 1HG ARG 71 20.229 -2.967 -7.641 578 HG3 ARG 71 2HG ARG 71 20.931 -1.408 -7.204 579 HD2 ARG 71 1HD ARG 71 21.331 -2.629 -4.899 580 HD3 ARG 71 2HD ARG 71 21.243 -4.071 -5.910 581 HE ARG 71 HE ARG 71 23.309 -3.558 -6.731 582 HH11 ARG 71 2HH1 ARG 71 21.934 -0.698 -5.299 583 HH12 ARG 71 1HH1 ARG 71 23.373 0.248 -5.489 584 HH21 ARG 71 2HH2 ARG 71 25.210 -2.322 -6.988 585 HH22 ARG 71 1HH2 ARG 71 25.235 -0.677 -6.451 586 H VAL 72 H VAL 72 15.685 -1.237 -7.880 587 HA VAL 72 HA VAL 72 14.572 -0.724 -5.199 588 HB VAL 72 HB VAL 72 14.087 0.885 -7.709 589 HG11 VAL 72 1HG1 VAL 72 12.849 1.153 -4.971 590 HG12 VAL 72 2HG1 VAL 72 12.634 2.283 -6.310 591 HG13 VAL 72 3HG1 VAL 72 12.026 0.632 -6.442 592 HG21 VAL 72 1HG2 VAL 72 16.218 1.343 -6.545 593 HG22 VAL 72 2HG2 VAL 72 15.111 2.715 -6.507 594 HG23 VAL 72 3HG2 VAL 72 15.311 1.703 -5.076 595 H TYR 73 H TYR 73 12.530 -1.448 -4.804 596 HA TYR 73 HA TYR 73 11.354 -3.165 -6.867 597 HB2 TYR 73 1HB TYR 73 11.007 -3.053 -3.871 598 HB3 TYR 73 2HB TYR 73 9.985 -4.038 -4.912 599 HD1 TYR 73 2HD TYR 73 13.492 -3.512 -3.829 600 HD2 TYR 73 1HD TYR 73 10.705 -6.151 -5.666 601 HE1 TYR 73 2HE TYR 73 15.156 -5.322 -3.741 602 HE2 TYR 73 1HE TYR 73 12.361 -7.968 -5.582 603 HH TYR 73 HH TYR 73 14.375 -8.563 -4.259 604 H THR 74 H THR 74 9.129 -3.087 -7.351 605 HA THR 74 HA THR 74 7.710 -0.666 -6.470 606 HB THR 74 HB THR 74 7.849 -1.660 -9.324 607 HG1 THR 74 1HG THR 74 8.790 0.770 -8.163 608 HG21 THR 74 1HG2 THR 74 6.319 -0.011 -9.925 609 HG22 THR 74 2HG2 THR 74 6.549 0.888 -8.425 610 HG23 THR 74 3HG2 THR 74 5.652 -0.630 -8.415 611 H PHE 75 H PHE 75 6.175 -1.594 -5.226 612 HA PHE 75 HA PHE 75 4.672 -3.868 -6.316 613 HB2 PHE 75 1HB PHE 75 4.447 -2.793 -3.511 614 HB3 PHE 75 2HB PHE 75 4.011 -4.391 -4.106 615 HD1 PHE 75 1HD PHE 75 6.173 -5.543 -5.357 616 HD2 PHE 75 2HD PHE 75 6.263 -2.770 -2.130 617 HE1 PHE 75 1HE PHE 75 8.384 -6.393 -4.693 618 HE2 PHE 75 2HE PHE 75 8.475 -3.615 -1.461 619 HZ PHE 75 HZ PHE 75 9.539 -5.428 -2.744 620 H GLU 76 H GLU 76 2.503 -3.775 -6.693 621 HA GLU 76 HA GLU 76 1.174 -1.189 -6.217 622 HB2 GLU 76 1HB GLU 76 0.898 -2.961 -8.652 623 HB3 GLU 76 2HB GLU 76 -0.032 -1.500 -8.349 624 HG2 GLU 76 1HG GLU 76 2.151 -0.254 -8.290 625 HG3 GLU 76 2HG GLU 76 2.915 -1.730 -8.878 626 H MET 77 H MET 77 -1.252 -1.377 -6.333 627 HA MET 77 HA MET 77 -2.209 -3.997 -5.418 628 HB2 MET 77 1HB MET 77 -1.754 -2.565 -3.444 629 HB3 MET 77 2HB MET 77 -2.879 -1.371 -4.079 630 HG2 MET 77 1HG MET 77 -3.905 -4.121 -3.763 631 HG3 MET 77 2HG MET 77 -3.561 -3.224 -2.286 632 HE1 MET 77 1HE MET 77 -4.228 -1.072 -1.781 633 HE2 MET 77 2HE MET 77 -5.502 -0.098 -2.514 634 HE3 MET 77 3HE MET 77 -5.916 -1.373 -1.367 635 H GLN 78 H GLN 78 -3.433 -4.471 -7.173 636 HA GLN 78 HA GLN 78 -5.149 -2.482 -8.381 637 HB2 GLN 78 1HB GLN 78 -3.875 -4.656 -9.385 638 HB3 GLN 78 2HB GLN 78 -5.484 -5.319 -9.132 639 HG2 GLN 78 1HG GLN 78 -6.443 -3.552 -10.499 640 HG3 GLN 78 2HG GLN 78 -4.843 -2.849 -10.728 641 HE21 GLN 78 1HE2 GLN 78 -3.271 -4.941 -11.263 642 HE22 GLN 78 2HE2 GLN 78 -3.781 -5.751 -12.701 643 H ILE 79 H ILE 79 -7.330 -2.322 -8.203 644 HA ILE 79 HA ILE 79 -8.686 -4.244 -6.429 645 HB ILE 79 HB ILE 79 -9.076 -1.250 -6.475 646 HG12 ILE 79 1HG1 ILE 79 -7.637 -3.139 -4.679 647 HG13 ILE 79 2HG1 ILE 79 -7.229 -1.487 -5.131 648 HG21 ILE 79 1HG2 ILE 79 -10.435 -3.220 -4.656 649 HG22 ILE 79 2HG2 ILE 79 -10.801 -1.511 -4.885 650 HG23 ILE 79 3HG2 ILE 79 -11.152 -2.667 -6.169 651 HD11 ILE 79 1HD1 ILE 79 -9.236 -0.813 -3.688 652 HD12 ILE 79 2HD1 ILE 79 -9.129 -2.447 -3.032 653 HD13 ILE 79 3HD1 ILE 79 -7.762 -1.344 -2.879 654 H ILE 80 H ILE 80 -9.850 -5.381 -7.885 655 HA ILE 80 HA ILE 80 -11.261 -4.021 -10.031 656 HB ILE 80 HB ILE 80 -11.578 -6.939 -9.450 657 HG12 ILE 80 1HG1 ILE 80 -9.508 -7.020 -11.148 658 HG13 ILE 80 2HG1 ILE 80 -9.098 -5.532 -10.301 659 HG21 ILE 80 1HG2 ILE 80 -11.218 -6.585 -12.141 660 HG22 ILE 80 2HG2 ILE 80 -12.775 -6.662 -11.317 661 HG23 ILE 80 3HG2 ILE 80 -12.039 -5.098 -11.667 662 HD11 ILE 80 1HD1 ILE 80 -8.089 -6.852 -8.827 663 HD12 ILE 80 2HD1 ILE 80 -9.709 -7.252 -8.255 664 HD13 ILE 80 3HD1 ILE 80 -8.906 -8.294 -9.428 665 H LYS 81 H LYS 81 -13.455 -3.823 -10.217 666 HA LYS 81 HA LYS 81 -15.577 -3.457 -9.467 667 HB2 LYS 81 1HB LYS 81 -15.145 -6.163 -8.189 668 HB3 LYS 81 2HB LYS 81 -16.703 -5.408 -8.501 669 HG2 LYS 81 1HG LYS 81 -15.852 -5.364 -10.972 670 HG3 LYS 81 2HG LYS 81 -14.779 -6.646 -10.407 671 HD2 LYS 81 1HD LYS 81 -17.057 -7.565 -9.388 672 HD3 LYS 81 2HD LYS 81 -17.732 -6.632 -10.726 673 HE2 LYS 81 1HE LYS 81 -17.400 -8.613 -11.798 674 HE3 LYS 81 2HE LYS 81 -15.818 -7.883 -12.068 675 HZ1 LYS 81 1HZ LYS 81 -16.509 -10.212 -10.560 676 HZ2 LYS 81 2HZ LYS 81 -15.575 -9.130 -9.656 677 HZ3 LYS 81 3HZ LYS 81 -14.999 -9.711 -11.137 678 H ALA 82 H ALA 82 -13.758 -2.123 -7.927 679 HA ALA 82 HA ALA 82 -13.644 -2.523 -5.223 680 HB1 ALA 82 1HB ALA 82 -13.475 -0.198 -6.989 681 HB2 ALA 82 2HB ALA 82 -13.959 0.185 -5.336 682 HB3 ALA 82 3HB ALA 82 -12.449 -0.675 -5.636 683 H LYS 83 H LYS 83 -15.063 -2.615 -3.611 684 HA LYS 83 HA LYS 83 -17.834 -1.821 -4.142 685 HB2 LYS 83 1HB LYS 83 -16.896 -3.375 -1.744 686 HB3 LYS 83 2HB LYS 83 -18.500 -3.332 -2.463 687 HG2 LYS 83 1HG LYS 83 -17.767 -4.621 -4.338 688 HG3 LYS 83 2HG LYS 83 -16.085 -4.520 -3.810 689 HD2 LYS 83 1HD LYS 83 -16.692 -5.767 -1.764 690 HD3 LYS 83 2HD LYS 83 -18.339 -5.926 -2.377 691 HE2 LYS 83 1HE LYS 83 -16.103 -6.810 -4.123 692 HE3 LYS 83 2HE LYS 83 -16.516 -7.817 -2.736 693 HZ1 LYS 83 1HZ LYS 83 -18.798 -7.915 -3.543 694 HZ2 LYS 83 2HZ LYS 83 -17.720 -8.513 -4.702 695 HZ3 LYS 83 3HZ LYS 83 -18.385 -6.968 -4.884 696 H ASP 84 H ASP 84 -19.058 -0.839 -2.339 697 HA ASP 84 HA ASP 84 -17.894 1.544 -1.470 698 HB2 ASP 84 1HB ASP 84 -19.930 2.028 -0.508 699 HB3 ASP 84 2HB ASP 84 -20.411 0.760 -1.632 700 H ASN 85 H ASN 85 -17.593 -1.603 -0.220 701 HA ASN 85 HA ASN 85 -17.012 -0.807 2.495 702 HB2 ASN 85 1HB ASN 85 -17.122 -3.381 0.995 703 HB3 ASN 85 2HB ASN 85 -16.145 -3.325 2.459 704 HD21 ASN 85 1HD2 ASN 85 -17.863 -4.996 2.952 705 HD22 ASN 85 2HD2 ASN 85 -19.287 -4.422 3.745 706 H PHE 86 H PHE 86 -15.305 -1.087 -0.452 707 HA PHE 86 HA PHE 86 -12.714 -1.606 0.624 708 HB2 PHE 86 1HB PHE 86 -13.701 -0.593 -2.034 709 HB3 PHE 86 2HB PHE 86 -11.982 -0.690 -1.669 710 HD1 PHE 86 2HD PHE 86 -14.761 -3.009 -0.808 711 HD2 PHE 86 1HD PHE 86 -11.143 -2.405 -2.966 712 HE1 PHE 86 2HE PHE 86 -14.760 -5.380 -1.463 713 HE2 PHE 86 1HE PHE 86 -11.136 -4.775 -3.625 714 HZ PHE 86 HZ PHE 86 -12.946 -6.267 -2.872 715 H ALA 87 H ALA 87 -14.707 1.140 0.533 716 HA ALA 87 HA ALA 87 -12.650 3.132 0.466 717 HB1 ALA 87 1HB ALA 87 -14.998 4.139 1.711 718 HB2 ALA 87 2HB ALA 87 -14.393 4.448 0.083 719 HB3 ALA 87 3HB ALA 87 -15.481 3.091 0.377 720 H GLY 88 H GLY 88 -11.730 4.263 2.148 721 HA2 GLY 88 1HA GLY 88 -12.217 4.685 4.680 722 HA3 GLY 88 2HA GLY 88 -11.927 2.954 4.766 723 H ASN 89 H ASN 89 -10.078 2.958 5.957 724 HA ASN 89 HA ASN 89 -7.797 4.487 4.903 725 HB2 ASN 89 1HB ASN 89 -8.275 5.035 7.205 726 HB3 ASN 89 2HB ASN 89 -8.303 3.332 7.652 727 HD21 ASN 89 1HD2 ASN 89 -6.183 5.784 6.229 728 HD22 ASN 89 2HD2 ASN 89 -4.729 5.196 6.955 729 H TYR 90 H TYR 90 -6.012 3.472 4.179 730 HA TYR 90 HA TYR 90 -6.005 0.530 4.295 731 HB2 TYR 90 1HB TYR 90 -5.132 2.479 2.195 732 HB3 TYR 90 2HB TYR 90 -4.371 0.894 2.275 733 HD1 TYR 90 2HD TYR 90 -7.690 2.554 2.004 734 HD2 TYR 90 1HD TYR 90 -5.398 -0.957 1.283 735 HE1 TYR 90 2HE TYR 90 -9.566 1.597 0.734 736 HE2 TYR 90 1HE TYR 90 -7.267 -1.924 0.010 737 HH TYR 90 HH TYR 90 -10.352 -0.201 -0.317 738 H ARG 91 H ARG 91 -3.724 -0.400 4.052 739 HA ARG 91 HA ARG 91 -1.631 1.196 5.273 740 HB2 ARG 91 1HB ARG 91 -3.011 0.201 7.149 741 HB3 ARG 91 2HB ARG 91 -2.482 -1.381 6.591 742 HG2 ARG 91 1HG ARG 91 -0.240 -0.946 7.152 743 HG3 ARG 91 2HG ARG 91 -0.543 0.782 7.344 744 HD2 ARG 91 1HD ARG 91 -0.338 -0.220 9.519 745 HD3 ARG 91 2HD ARG 91 -2.015 0.261 9.267 746 HE ARG 91 HE ARG 91 -1.634 -2.437 8.506 747 HH11 ARG 91 2HH1 ARG 91 -1.890 -0.389 11.309 748 HH12 ARG 91 1HH1 ARG 91 -2.504 -1.645 12.332 749 HH21 ARG 91 2HH2 ARG 91 -2.442 -4.099 9.843 750 HH22 ARG 91 1HH2 ARG 91 -2.816 -3.755 11.497 751 H CYS 92 H CYS 92 0.445 0.341 4.985 752 HA CYS 92 HA CYS 92 0.662 -2.168 3.490 753 HB2 CYS 92 1HB CYS 92 2.388 -0.946 2.011 754 HB3 CYS 92 2HB CYS 92 0.680 -0.680 1.681 755 HG CYS 92 HG CYS 92 1.900 1.547 3.830 756 H GLU 93 H GLU 93 2.064 -3.415 4.517 757 HA GLU 93 HA GLU 93 4.283 -2.137 5.974 758 HB2 GLU 93 1HB GLU 93 2.766 -4.685 6.515 759 HB3 GLU 93 2HB GLU 93 4.307 -4.325 7.281 760 HG2 GLU 93 1HG GLU 93 3.268 -2.198 8.127 761 HG3 GLU 93 2HG GLU 93 1.722 -2.819 7.552 762 H VAL 94 H VAL 94 6.224 -2.413 5.118 763 HA VAL 94 HA VAL 94 6.723 -4.827 3.500 764 HB VAL 94 HB VAL 94 7.894 -2.069 3.105 765 HG11 VAL 94 1HG1 VAL 94 9.546 -3.021 1.970 766 HG12 VAL 94 2HG1 VAL 94 8.919 -4.615 2.396 767 HG13 VAL 94 3HG1 VAL 94 8.378 -3.820 0.918 768 HG21 VAL 94 1HG2 VAL 94 5.634 -3.527 1.891 769 HG22 VAL 94 2HG2 VAL 94 5.901 -1.793 2.072 770 HG23 VAL 94 3HG2 VAL 94 6.700 -2.677 0.773 771 H THR 95 H THR 95 7.887 -6.145 4.759 772 HA THR 95 HA THR 95 9.955 -5.038 6.503 773 HB THR 95 HB THR 95 10.136 -7.548 7.178 774 HG1 THR 95 1HG THR 95 8.881 -8.570 5.706 775 HG21 THR 95 1HG2 THR 95 9.184 -5.704 8.558 776 HG22 THR 95 2HG2 THR 95 8.405 -7.263 8.828 777 HG23 THR 95 3HG2 THR 95 7.608 -6.038 7.841 778 H TYR 96 H TYR 96 12.076 -5.219 6.111 779 HA TYR 96 HA TYR 96 12.970 -7.079 4.018 780 HB2 TYR 96 1HB TYR 96 12.760 -4.721 3.149 781 HB3 TYR 96 2HB TYR 96 14.010 -4.255 4.297 782 HD1 TYR 96 2HD TYR 96 13.786 -7.325 2.202 783 HD2 TYR 96 1HD TYR 96 15.829 -3.670 2.957 784 HE1 TYR 96 2HE TYR 96 15.513 -7.961 0.571 785 HE2 TYR 96 1HE TYR 96 17.562 -4.295 1.327 786 HH TYR 96 HH TYR 96 17.908 -5.736 -0.531 787 H LYS 97 H LYS 97 15.471 -7.166 4.028 788 HA LYS 97 HA LYS 97 16.282 -8.090 6.578 789 HB2 LYS 97 1HB LYS 97 18.318 -7.433 4.504 790 HB3 LYS 97 2HB LYS 97 18.185 -8.851 5.535 791 HG2 LYS 97 1HG LYS 97 16.640 -8.234 3.034 792 HG3 LYS 97 2HG LYS 97 17.761 -9.567 3.325 793 HD2 LYS 97 1HD LYS 97 15.370 -9.311 5.082 794 HD3 LYS 97 2HD LYS 97 15.145 -9.914 3.438 795 HE2 LYS 97 1HE LYS 97 16.317 -11.834 3.836 796 HE3 LYS 97 2HE LYS 97 17.340 -11.085 5.061 797 HZ1 LYS 97 1HZ LYS 97 16.051 -12.227 6.469 798 HZ2 LYS 97 2HZ LYS 97 14.798 -12.428 5.351 799 HZ3 LYS 97 3HZ LYS 97 14.928 -10.985 6.225 800 H ASP 98 H ASP 98 17.131 -5.203 4.696 801 HA ASP 98 HA ASP 98 18.987 -4.150 6.533 802 HB2 ASP 98 1HB ASP 98 17.366 -2.992 4.292 803 HB3 ASP 98 2HB ASP 98 18.276 -1.921 5.356 804 H LYS 99 H LYS 99 15.827 -2.677 5.837 805 HA LYS 99 HA LYS 99 15.344 -2.422 8.717 806 HB2 LYS 99 1HB LYS 99 15.211 -0.151 6.725 807 HB3 LYS 99 2HB LYS 99 14.619 -0.064 8.379 808 HG2 LYS 99 1HG LYS 99 17.467 -0.772 7.769 809 HG3 LYS 99 2HG LYS 99 16.926 0.905 7.877 810 HD2 LYS 99 1HD LYS 99 16.245 -0.989 10.080 811 HD3 LYS 99 2HD LYS 99 17.882 -0.335 9.984 812 HE2 LYS 99 1HE LYS 99 16.860 1.231 11.319 813 HE3 LYS 99 2HE LYS 99 16.630 1.948 9.725 814 HZ1 LYS 99 1HZ LYS 99 14.456 1.896 10.045 815 HZ2 LYS 99 2HZ LYS 99 14.678 1.239 11.587 816 HZ3 LYS 99 3HZ LYS 99 14.487 0.217 10.253 817 H PHE 100 H PHE 100 13.068 -1.631 9.144 818 HA PHE 100 HA PHE 100 11.221 -2.603 7.068 819 HB2 PHE 100 1HB PHE 100 11.028 -4.354 8.548 820 HB3 PHE 100 2HB PHE 100 11.424 -3.358 9.944 821 HD1 PHE 100 1HD PHE 100 8.759 -3.328 7.327 822 HD2 PHE 100 2HD PHE 100 9.727 -3.244 11.471 823 HE1 PHE 100 1HE PHE 100 6.367 -3.162 7.879 824 HE2 PHE 100 2HE PHE 100 7.337 -3.079 12.029 825 HZ PHE 100 HZ PHE 100 5.653 -3.039 10.232 826 H ASP 101 H ASP 101 9.678 -1.207 6.529 827 HA ASP 101 HA ASP 101 8.795 0.791 8.481 828 HB2 ASP 101 1HB ASP 101 10.579 1.769 6.986 829 HB3 ASP 101 2HB ASP 101 9.480 1.523 5.631 830 H SER 102 H SER 102 6.737 1.765 7.961 831 HA SER 102 HA SER 102 5.174 0.480 5.862 832 HB2 SER 102 1HB SER 102 3.351 -0.092 7.453 833 HB3 SER 102 2HB SER 102 4.829 -1.003 7.761 834 HG SER 102 HG SER 102 3.835 -0.097 9.665 835 H CYS 103 H CYS 103 3.341 1.643 5.234 836 HA CYS 103 HA CYS 103 3.000 4.279 6.496 837 HB2 CYS 103 1HB CYS 103 4.307 4.269 4.281 838 HB3 CYS 103 2HB CYS 103 2.772 3.864 3.522 839 HG CYS 103 HG CYS 103 3.302 6.604 3.185 840 H SER 104 H SER 104 0.906 5.335 5.758 841 HA SER 104 HA SER 104 -1.202 3.387 5.187 842 HB2 SER 104 1HB SER 104 -2.587 4.206 7.034 843 HB3 SER 104 2HB SER 104 -1.065 3.559 7.646 844 HG SER 104 HG SER 104 -1.530 5.546 8.624 845 H PHE 105 H PHE 105 -2.892 4.186 4.025 846 HA PHE 105 HA PHE 105 -2.938 7.082 3.509 847 HB2 PHE 105 1HB PHE 105 -3.636 6.386 1.114 848 HB3 PHE 105 2HB PHE 105 -1.931 6.311 1.546 849 HD1 PHE 105 1HD PHE 105 -1.104 4.002 2.446 850 HD2 PHE 105 2HD PHE 105 -4.627 4.561 0.123 851 HE1 PHE 105 1HE PHE 105 -1.041 1.633 1.786 852 HE2 PHE 105 2HE PHE 105 -4.569 2.193 -0.540 853 HZ PHE 105 HZ PHE 105 -2.775 0.725 0.292 854 H ASP 106 H ASP 106 -5.055 7.432 2.000 855 HA ASP 106 HA ASP 106 -7.278 5.990 3.278 856 HB2 ASP 106 1HB ASP 106 -8.468 8.319 3.100 857 HB3 ASP 106 2HB ASP 106 -7.408 7.975 4.464 858 H LEU 107 H LEU 107 -8.744 5.231 1.894 859 HA LEU 107 HA LEU 107 -8.673 6.229 -0.875 860 HB2 LEU 107 1HB LEU 107 -8.025 3.953 -0.832 861 HB3 LEU 107 2HB LEU 107 -9.338 3.528 0.264 862 HG LEU 107 HG LEU 107 -10.931 4.072 -1.612 863 HD11 LEU 107 1HD1 LEU 107 -8.514 4.946 -2.832 864 HD12 LEU 107 2HD1 LEU 107 -10.161 5.023 -3.457 865 HD13 LEU 107 3HD1 LEU 107 -9.165 3.601 -3.770 866 HD21 LEU 107 1HD2 LEU 107 -10.165 1.950 -2.932 867 HD22 LEU 107 2HD2 LEU 107 -10.711 1.810 -1.261 868 HD23 LEU 107 3HD2 LEU 107 -8.986 1.809 -1.628 869 H GLU 108 H GLU 108 -10.716 6.225 -2.053 870 HA GLU 108 HA GLU 108 -13.089 6.446 -0.337 871 HB2 GLU 108 1HB GLU 108 -11.922 8.519 -2.137 872 HB3 GLU 108 2HB GLU 108 -13.673 8.405 -2.026 873 HG2 GLU 108 1HG GLU 108 -13.596 8.778 0.349 874 HG3 GLU 108 2HG GLU 108 -11.834 8.749 0.330 875 H VAL 109 H VAL 109 -15.061 5.978 -1.335 876 HA VAL 109 HA VAL 109 -14.879 4.861 -4.056 877 HB VAL 109 HB VAL 109 -16.576 3.679 -1.860 878 HG11 VAL 109 1HG1 VAL 109 -17.072 3.408 -4.399 879 HG12 VAL 109 2HG1 VAL 109 -15.708 2.289 -4.360 880 HG13 VAL 109 3HG1 VAL 109 -17.121 1.995 -3.345 881 HG21 VAL 109 1HG2 VAL 109 -14.947 2.161 -1.319 882 HG22 VAL 109 2HG2 VAL 109 -14.132 2.312 -2.876 883 HG23 VAL 109 3HG2 VAL 109 -13.954 3.577 -1.660 884 H HIS 110 H HIS 110 -16.254 5.776 -5.421 885 HA HIS 110 HA HIS 110 -18.554 7.245 -4.337 886 HB2 HIS 110 1HB HIS 110 -17.004 7.495 -6.909 887 HB3 HIS 110 2HB HIS 110 -18.572 8.266 -6.689 888 HD1 HIS 110 1HD HIS 110 -17.505 10.617 -6.864 889 HD2 HIS 110 2HD HIS 110 -16.072 8.327 -3.707 890 HE1 HIS 110 1HE HIS 110 -16.242 12.217 -5.393 891 HE2 HIS 110 2HE HIS 110 -15.312 10.794 -3.535 892 H GLU 111 H GLU 111 -20.624 6.866 -5.031 893 HA GLU 111 HA GLU 111 -21.227 4.262 -5.970 894 HB2 GLU 111 1HB GLU 111 -22.944 6.720 -5.617 895 HB3 GLU 111 2HB GLU 111 -23.584 5.154 -6.094 896 HG2 GLU 111 1HG GLU 111 -22.435 4.286 -3.956 897 HG3 GLU 111 2HG GLU 111 -22.390 5.984 -3.485 898 H SER 112 H SER 112 -21.201 3.527 -7.979 899 HA SER 112 HA SER 112 -20.664 5.131 -10.222 900 HB2 SER 112 1HB SER 112 -20.045 2.810 -10.266 901 HB3 SER 112 2HB SER 112 -21.713 2.303 -10.002 902 HG SER 112 HG SER 112 -21.178 3.900 -12.225 903 H THR 113 H THR 113 -21.928 6.045 -11.758 904 HA THR 113 HA THR 113 -23.774 7.010 -12.680 905 HB THR 113 HB THR 113 -25.400 4.615 -11.890 906 HG1 THR 113 1HG THR 113 -23.668 3.558 -12.671 907 HG21 THR 113 1HG2 THR 113 -26.748 5.936 -13.174 908 HG22 THR 113 2HG2 THR 113 -25.946 5.036 -14.461 909 HG23 THR 113 3HG2 THR 113 -25.396 6.659 -14.044 910 H GLY 114 H GLY 114 -23.300 7.855 -10.106 911 HA2 GLY 114 1HA GLY 114 -26.052 8.290 -9.143 912 HA3 GLY 114 2HA GLY 114 -24.774 7.872 -8.011 913 H THR 115 H THR 115 -22.886 9.360 -7.957 914 HA THR 115 HA THR 115 -23.727 12.135 -8.494 915 HB THR 115 HB THR 115 -23.789 11.695 -6.092 916 HG1 THR 115 1HG THR 115 -21.441 13.211 -6.474 917 HG21 THR 115 1HG2 THR 115 -21.924 10.963 -4.836 918 HG22 THR 115 2HG2 THR 115 -20.828 11.163 -6.203 919 HG23 THR 115 3HG2 THR 115 -22.025 9.868 -6.214 920 H THR 116 H THR 116 -22.340 13.392 -9.587 921 HA THR 116 HA THR 116 -19.872 12.203 -10.545 922 HB THR 116 HB THR 116 -19.725 14.319 -11.921 923 HG1 THR 116 1HG THR 116 -21.349 15.320 -10.292 924 HG21 THR 116 1HG2 THR 116 -22.195 13.574 -12.957 925 HG22 THR 116 2HG2 THR 116 -21.613 12.129 -12.130 926 HG23 THR 116 3HG2 THR 116 -20.627 12.888 -13.380 927 HA PRO 117 HA PRO 117 -17.194 14.267 -7.725 928 HB2 PRO 117 1HB PRO 117 -14.923 14.278 -9.212 929 HB3 PRO 117 2HB PRO 117 -15.563 12.819 -8.447 930 HG2 PRO 117 1HG PRO 117 -15.819 13.739 -11.284 931 HG3 PRO 117 2HG PRO 117 -15.480 12.114 -10.662 932 HD2 PRO 117 1HD PRO 117 -17.941 12.867 -11.504 933 HD3 PRO 117 2HD PRO 117 -17.698 11.694 -10.194 934 H ASN 118 H ASN 118 -15.479 16.087 -7.784 935 HA ASN 118 HA ASN 118 -16.494 18.259 -9.498 936 HB2 ASN 118 1HB ASN 118 -15.231 18.575 -6.770 937 HB3 ASN 118 2HB ASN 118 -16.041 19.816 -7.721 938 HD21 ASN 118 1HD2 ASN 118 -18.060 20.230 -7.210 939 HD22 ASN 118 2HD2 ASN 118 -19.134 19.172 -6.366 940 H ILE 119 H ILE 119 -14.971 19.865 -10.181 941 HA ILE 119 HA ILE 119 -12.147 19.096 -9.995 942 HB ILE 119 HB ILE 119 -13.551 19.760 -12.586 943 HG12 ILE 119 1HG1 ILE 119 -12.065 17.217 -12.091 944 HG13 ILE 119 2HG1 ILE 119 -13.683 17.385 -11.419 945 HG21 ILE 119 1HG2 ILE 119 -11.134 18.931 -13.355 946 HG22 ILE 119 2HG2 ILE 119 -11.501 20.623 -13.023 947 HG23 ILE 119 3HG2 ILE 119 -10.702 19.638 -11.798 948 HD11 ILE 119 1HD1 ILE 119 -13.784 16.275 -13.550 949 HD12 ILE 119 2HD1 ILE 119 -14.534 17.867 -13.677 950 HD13 ILE 119 3HD1 ILE 119 -12.913 17.602 -14.319 951 H ASP 120 H ASP 120 -10.684 20.788 -10.144 952 HA ASP 120 HA ASP 120 -11.648 23.475 -10.678 953 HB2 ASP 120 1HB ASP 120 -10.333 22.858 -8.029 954 HB3 ASP 120 2HB ASP 120 -10.997 24.401 -8.559 955 H SER 121 H SER 121 -10.208 24.196 -12.093 956 HA SER 121 HA SER 121 -7.401 23.390 -11.822 957 HB2 SER 121 1HB SER 121 -8.870 24.648 -14.151 958 HB3 SER 121 2HB SER 121 -7.164 24.202 -14.154 959 HG SER 121 HG SER 121 -9.013 22.243 -13.433 960 H GLY 122 H GLY 122 -5.712 24.941 -11.988 961 HA2 GLY 122 1HA GLY 122 -6.559 27.691 -11.313 962 HA3 GLY 122 2HA GLY 122 -5.214 26.894 -10.509 963 HA PRO 123 HA PRO 123 -3.898 29.316 -14.388 964 HB2 PRO 123 1HB PRO 123 -2.740 31.435 -13.148 965 HB3 PRO 123 2HB PRO 123 -4.439 31.418 -13.635 966 HG2 PRO 123 1HG PRO 123 -3.237 30.907 -10.942 967 HG3 PRO 123 2HG PRO 123 -4.674 31.856 -11.364 968 HD2 PRO 123 1HD PRO 123 -4.827 29.331 -10.396 969 HD3 PRO 123 2HD PRO 123 -6.009 29.986 -11.548 970 H SER 124 H SER 124 -2.150 28.251 -15.071 971 HA SER 124 HA SER 124 0.177 28.076 -13.270 972 HB2 SER 124 1HB SER 124 -0.648 26.155 -15.461 973 HB3 SER 124 2HB SER 124 0.799 26.009 -14.464 974 HG SER 124 HG SER 124 -0.703 24.758 -13.480 975 H SER 125 H SER 125 2.289 28.007 -14.366 976 HA SER 125 HA SER 125 2.284 29.776 -16.718 977 HB2 SER 125 1HB SER 125 3.379 30.509 -14.502 978 HB3 SER 125 2HB SER 125 4.643 29.344 -14.894 979 HG SER 125 HG SER 125 5.121 31.457 -15.660 980 H GLY 126 H GLY 126 4.482 29.528 -17.972 981 HA2 GLY 126 1HA GLY 126 4.431 26.948 -19.157 982 HA3 GLY 126 2HA GLY 126 5.586 28.224 -19.510 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 18.357 22.566 18.077 2 HA2 GLY 1 1HA GLY 1 15.637 22.322 17.972 3 HA3 GLY 1 2HA GLY 1 16.728 21.330 17.016 4 H SER 2 H SER 2 14.606 20.008 17.433 5 HA SER 2 HA SER 2 14.774 18.546 19.963 6 HB2 SER 2 1HB SER 2 12.558 19.387 19.194 7 HB3 SER 2 2HB SER 2 12.685 18.340 17.781 8 HG SER 2 HG SER 2 13.065 16.661 19.579 9 H SER 3 H SER 3 14.932 16.277 20.039 10 HA SER 3 HA SER 3 16.665 15.163 18.057 11 HB2 SER 3 1HB SER 3 16.949 14.552 20.394 12 HB3 SER 3 2HB SER 3 15.313 13.898 20.453 13 HG SER 3 HG SER 3 17.459 12.929 18.865 14 H GLY 4 H GLY 4 16.254 13.060 17.000 15 HA2 GLY 4 1HA GLY 4 13.607 12.082 16.658 16 HA3 GLY 4 2HA GLY 4 14.051 13.131 15.319 17 H SER 5 H SER 5 14.345 11.770 13.659 18 HA SER 5 HA SER 5 16.637 10.065 13.649 19 HB2 SER 5 1HB SER 5 14.935 8.629 14.811 20 HB3 SER 5 2HB SER 5 13.956 8.696 13.346 21 HG SER 5 HG SER 5 16.625 7.737 13.461 22 H SER 6 H SER 6 17.069 9.160 11.539 23 HA SER 6 HA SER 6 15.393 10.145 9.356 24 HB2 SER 6 1HB SER 6 18.188 11.008 9.944 25 HB3 SER 6 2HB SER 6 17.733 10.775 8.256 26 HG SER 6 HG SER 6 16.789 12.635 8.374 27 H GLY 7 H GLY 7 15.835 9.123 7.306 28 HA2 GLY 7 1HA GLY 7 17.396 7.436 6.227 29 HA3 GLY 7 2HA GLY 7 17.085 6.473 7.663 30 H ILE 8 H ILE 8 15.258 8.201 5.135 31 HA ILE 8 HA ILE 8 13.000 6.463 5.379 32 HB ILE 8 HB ILE 8 13.691 8.418 3.182 33 HG12 ILE 8 1HG1 ILE 8 11.709 9.615 4.508 34 HG13 ILE 8 2HG1 ILE 8 12.371 8.674 5.841 35 HG21 ILE 8 1HG2 ILE 8 11.539 8.176 2.343 36 HG22 ILE 8 2HG2 ILE 8 12.000 6.521 2.738 37 HG23 ILE 8 3HG2 ILE 8 10.941 7.424 3.822 38 HD11 ILE 8 1HD1 ILE 8 13.898 10.239 6.137 39 HD12 ILE 8 2HD1 ILE 8 14.548 9.888 4.536 40 HD13 ILE 8 3HD1 ILE 8 13.303 11.122 4.731 41 H LEU 9 H LEU 9 12.421 4.726 4.169 42 HA LEU 9 HA LEU 9 14.363 3.805 2.154 43 HB2 LEU 9 1HB LEU 9 14.110 2.516 4.362 44 HB3 LEU 9 2HB LEU 9 12.557 1.990 3.717 45 HG LEU 9 HG LEU 9 13.759 0.992 1.785 46 HD11 LEU 9 1HD1 LEU 9 15.866 2.554 2.628 47 HD12 LEU 9 2HD1 LEU 9 15.940 1.263 1.430 48 HD13 LEU 9 3HD1 LEU 9 16.341 0.927 3.114 49 HD21 LEU 9 1HD2 LEU 9 13.906 0.123 4.574 50 HD22 LEU 9 2HD2 LEU 9 15.091 -0.646 3.517 51 HD23 LEU 9 3HD2 LEU 9 13.371 -0.750 3.138 52 H PHE 10 H PHE 10 10.945 3.809 3.090 53 HA PHE 10 HA PHE 10 9.976 2.657 0.696 54 HB2 PHE 10 1HB PHE 10 8.847 3.169 3.075 55 HB3 PHE 10 2HB PHE 10 8.244 4.560 2.179 56 HD1 PHE 10 2HD PHE 10 8.835 1.059 1.069 57 HD2 PHE 10 1HD PHE 10 6.003 4.151 1.798 58 HE1 PHE 10 2HE PHE 10 7.061 -0.342 0.098 59 HE2 PHE 10 1HE PHE 10 4.224 2.755 0.829 60 HZ PHE 10 HZ PHE 10 4.752 0.506 -0.024 61 H ILE 11 H ILE 11 11.310 3.905 -0.823 62 HA ILE 11 HA ILE 11 11.288 6.588 -1.295 63 HB ILE 11 HB ILE 11 11.290 4.294 -3.237 64 HG12 ILE 11 1HG1 ILE 11 13.263 4.706 -1.761 65 HG13 ILE 11 2HG1 ILE 11 13.629 4.837 -3.477 66 HG21 ILE 11 1HG2 ILE 11 10.366 5.926 -4.603 67 HG22 ILE 11 2HG2 ILE 11 11.254 7.230 -3.815 68 HG23 ILE 11 3HG2 ILE 11 12.097 6.111 -4.886 69 HD11 ILE 11 1HD1 ILE 11 13.825 6.822 -1.366 70 HD12 ILE 11 2HD1 ILE 11 14.611 6.757 -2.944 71 HD13 ILE 11 3HD1 ILE 11 12.980 7.411 -2.797 72 H GLU 12 H GLU 12 9.217 4.514 -3.304 73 HA GLU 12 HA GLU 12 7.334 6.700 -3.605 74 HB2 GLU 12 1HB GLU 12 8.188 4.947 -5.401 75 HB3 GLU 12 2HB GLU 12 6.844 4.001 -4.778 76 HG2 GLU 12 1HG GLU 12 6.308 5.360 -6.786 77 HG3 GLU 12 2HG GLU 12 5.273 5.675 -5.394 78 H LYS 13 H LYS 13 5.325 6.808 -2.757 79 HA LYS 13 HA LYS 13 4.474 4.575 -1.030 80 HB2 LYS 13 1HB LYS 13 3.858 7.507 -0.628 81 HB3 LYS 13 2HB LYS 13 3.448 6.187 0.459 82 HG2 LYS 13 1HG LYS 13 5.555 6.029 1.292 83 HG3 LYS 13 2HG LYS 13 6.310 6.563 -0.212 84 HD2 LYS 13 1HD LYS 13 4.637 8.560 1.173 85 HD3 LYS 13 2HD LYS 13 6.125 8.094 2.000 86 HE2 LYS 13 1HE LYS 13 6.890 9.821 0.703 87 HE3 LYS 13 2HE LYS 13 7.180 8.457 -0.376 88 HZ1 LYS 13 1HZ LYS 13 6.120 9.920 -1.759 89 HZ2 LYS 13 2HZ LYS 13 5.130 10.552 -0.542 90 HZ3 LYS 13 3HZ LYS 13 4.796 9.029 -1.198 91 HA PRO 14 HA PRO 14 0.831 4.318 -3.491 92 HB2 PRO 14 1HB PRO 14 -0.797 3.079 -1.706 93 HB3 PRO 14 2HB PRO 14 0.520 2.248 -2.543 94 HG2 PRO 14 1HG PRO 14 0.452 3.383 0.227 95 HG3 PRO 14 2HG PRO 14 1.121 1.839 -0.334 96 HD2 PRO 14 1HD PRO 14 2.670 4.004 0.158 97 HD3 PRO 14 2HD PRO 14 3.064 2.814 -1.099 98 H GLN 15 H GLN 15 0.559 6.681 -3.457 99 HA GLN 15 HA GLN 15 -0.802 8.082 -1.461 100 HB2 GLN 15 1HB GLN 15 -0.617 8.547 -4.436 101 HB3 GLN 15 2HB GLN 15 -1.394 9.678 -3.336 102 HG2 GLN 15 1HG GLN 15 0.707 10.574 -3.513 103 HG3 GLN 15 2HG GLN 15 0.867 9.584 -2.063 104 HE21 GLN 15 1HE2 GLN 15 3.142 9.621 -2.473 105 HE22 GLN 15 2HE2 GLN 15 3.834 8.543 -3.632 106 H GLY 16 H GLY 16 -2.744 7.613 -0.668 107 HA2 GLY 16 1HA GLY 16 -4.680 6.032 -1.950 108 HA3 GLY 16 2HA GLY 16 -4.965 7.051 -0.546 109 H GLY 17 H GLY 17 -6.809 6.599 -2.674 110 HA2 GLY 17 1HA GLY 17 -7.234 9.382 -3.452 111 HA3 GLY 17 2HA GLY 17 -7.111 8.206 -4.752 112 H THR 18 H THR 18 -9.209 8.477 -5.470 113 HA THR 18 HA THR 18 -11.244 7.230 -3.771 114 HB THR 18 HB THR 18 -11.884 9.708 -5.364 115 HG1 THR 18 1HG THR 18 -11.953 10.556 -3.029 116 HG21 THR 18 1HG2 THR 18 -13.762 9.701 -3.573 117 HG22 THR 18 2HG2 THR 18 -13.316 8.009 -3.352 118 HG23 THR 18 3HG2 THR 18 -13.869 8.578 -4.927 119 H VAL 19 H VAL 19 -11.997 5.545 -4.860 120 HA VAL 19 HA VAL 19 -12.166 5.716 -7.796 121 HB VAL 19 HB VAL 19 -10.661 3.951 -6.978 122 HG11 VAL 19 1HG1 VAL 19 -11.327 2.198 -5.594 123 HG12 VAL 19 2HG1 VAL 19 -12.079 3.614 -4.856 124 HG13 VAL 19 3HG1 VAL 19 -13.041 2.520 -5.851 125 HG21 VAL 19 1HG2 VAL 19 -12.477 2.066 -7.973 126 HG22 VAL 19 2HG2 VAL 19 -12.913 3.598 -8.731 127 HG23 VAL 19 3HG2 VAL 19 -11.270 2.976 -8.882 128 H LYS 20 H LYS 20 -14.057 5.270 -8.827 129 HA LYS 20 HA LYS 20 -16.470 5.457 -7.309 130 HB2 LYS 20 1HB LYS 20 -15.978 6.335 -9.694 131 HB3 LYS 20 2HB LYS 20 -16.348 4.696 -10.214 132 HG2 LYS 20 1HG LYS 20 -18.321 5.995 -10.452 133 HG3 LYS 20 2HG LYS 20 -18.558 4.915 -9.076 134 HD2 LYS 20 1HD LYS 20 -19.375 7.035 -8.406 135 HD3 LYS 20 2HD LYS 20 -17.815 6.832 -7.605 136 HE2 LYS 20 1HE LYS 20 -17.802 9.032 -8.431 137 HE3 LYS 20 2HE LYS 20 -16.819 8.109 -9.566 138 HZ1 LYS 20 1HZ LYS 20 -18.853 9.730 -10.256 139 HZ2 LYS 20 2HZ LYS 20 -19.619 8.222 -10.246 140 HZ3 LYS 20 3HZ LYS 20 -18.258 8.473 -11.219 141 H VAL 21 H VAL 21 -18.193 3.934 -7.248 142 HA VAL 21 HA VAL 21 -17.426 1.314 -6.620 143 HB VAL 21 HB VAL 21 -20.158 2.405 -7.300 144 HG11 VAL 21 1HG1 VAL 21 -19.299 -0.301 -6.961 145 HG12 VAL 21 2HG1 VAL 21 -20.358 0.152 -5.624 146 HG13 VAL 21 3HG1 VAL 21 -20.917 0.319 -7.289 147 HG21 VAL 21 1HG2 VAL 21 -19.128 3.441 -5.349 148 HG22 VAL 21 2HG2 VAL 21 -20.480 2.414 -4.870 149 HG23 VAL 21 3HG2 VAL 21 -18.824 1.850 -4.651 150 H GLY 22 H GLY 22 -16.835 -0.291 -7.913 151 HA2 GLY 22 1HA GLY 22 -17.301 -1.868 -9.634 152 HA3 GLY 22 2HA GLY 22 -18.220 -0.631 -10.479 153 H GLU 23 H GLU 23 -15.838 1.223 -9.796 154 HA GLU 23 HA GLU 23 -14.510 0.850 -12.308 155 HB2 GLU 23 1HB GLU 23 -14.492 2.872 -10.143 156 HB3 GLU 23 2HB GLU 23 -13.021 2.747 -11.098 157 HG2 GLU 23 1HG GLU 23 -14.395 4.429 -12.066 158 HG3 GLU 23 2HG GLU 23 -14.393 3.035 -13.146 159 H ASP 24 H ASP 24 -11.948 1.308 -12.108 160 HA ASP 24 HA ASP 24 -10.860 -0.667 -10.216 161 HB2 ASP 24 1HB ASP 24 -9.550 -1.698 -11.870 162 HB3 ASP 24 2HB ASP 24 -11.113 -1.470 -12.650 163 H ILE 25 H ILE 25 -9.101 -0.036 -9.122 164 HA ILE 25 HA ILE 25 -7.634 2.328 -10.083 165 HB ILE 25 HB ILE 25 -9.155 2.979 -8.249 166 HG12 ILE 25 1HG1 ILE 25 -6.384 3.057 -7.110 167 HG13 ILE 25 2HG1 ILE 25 -6.716 3.862 -8.640 168 HG21 ILE 25 1HG2 ILE 25 -9.195 0.814 -7.088 169 HG22 ILE 25 2HG2 ILE 25 -7.529 1.073 -6.572 170 HG23 ILE 25 3HG2 ILE 25 -8.807 2.144 -5.997 171 HD11 ILE 25 1HD1 ILE 25 -7.604 5.594 -7.593 172 HD12 ILE 25 2HD1 ILE 25 -8.710 4.553 -6.695 173 HD13 ILE 25 3HD1 ILE 25 -7.091 4.869 -6.070 174 H THR 26 H THR 26 -5.440 2.484 -9.386 175 HA THR 26 HA THR 26 -4.292 0.019 -8.272 176 HB THR 26 HB THR 26 -2.946 1.455 -10.549 177 HG1 THR 26 1HG THR 26 -4.982 0.692 -11.295 178 HG21 THR 26 1HG2 THR 26 -2.709 -1.330 -9.404 179 HG22 THR 26 2HG2 THR 26 -1.543 -0.018 -9.229 180 HG23 THR 26 3HG2 THR 26 -1.831 -0.737 -10.813 181 H PHE 27 H PHE 27 -2.855 0.378 -6.704 182 HA PHE 27 HA PHE 27 -1.953 3.136 -6.269 183 HB2 PHE 27 1HB PHE 27 -1.969 0.788 -4.361 184 HB3 PHE 27 2HB PHE 27 -1.505 2.437 -3.959 185 HD1 PHE 27 2HD PHE 27 -3.188 4.204 -3.824 186 HD2 PHE 27 1HD PHE 27 -4.264 0.156 -4.579 187 HE1 PHE 27 2HE PHE 27 -5.525 4.724 -3.259 188 HE2 PHE 27 1HE PHE 27 -6.603 0.670 -4.015 189 HZ PHE 27 HZ PHE 27 -7.236 2.956 -3.352 190 H ILE 28 H ILE 28 0.164 3.686 -6.231 191 HA ILE 28 HA ILE 28 2.070 1.620 -7.057 192 HB ILE 28 HB ILE 28 2.212 4.630 -7.172 193 HG12 ILE 28 1HG1 ILE 28 0.832 3.526 -8.895 194 HG13 ILE 28 2HG1 ILE 28 2.263 4.281 -9.588 195 HG21 ILE 28 1HG2 ILE 28 4.351 2.742 -7.019 196 HG22 ILE 28 2HG2 ILE 28 4.340 3.484 -8.618 197 HG23 ILE 28 3HG2 ILE 28 4.427 4.497 -7.177 198 HD11 ILE 28 1HD1 ILE 28 2.305 2.291 -10.676 199 HD12 ILE 28 2HD1 ILE 28 3.258 1.860 -9.255 200 HD13 ILE 28 3HD1 ILE 28 1.553 1.416 -9.342 201 H ALA 29 H ALA 29 3.542 0.850 -5.698 202 HA ALA 29 HA ALA 29 4.573 2.503 -3.539 203 HB1 ALA 29 1HB ALA 29 3.474 -0.205 -2.847 204 HB2 ALA 29 2HB ALA 29 3.975 1.093 -1.762 205 HB3 ALA 29 3HB ALA 29 2.502 1.262 -2.719 206 H LYS 30 H LYS 30 6.692 2.360 -3.862 207 HA LYS 30 HA LYS 30 7.862 -0.309 -4.281 208 HB2 LYS 30 1HB LYS 30 9.233 0.409 -5.986 209 HB3 LYS 30 2HB LYS 30 7.799 1.378 -6.297 210 HG2 LYS 30 1HG LYS 30 8.955 3.163 -4.847 211 HG3 LYS 30 2HG LYS 30 10.419 2.216 -5.121 212 HD2 LYS 30 1HD LYS 30 10.115 4.069 -6.747 213 HD3 LYS 30 2HD LYS 30 10.204 2.477 -7.503 214 HE2 LYS 30 1HE LYS 30 8.003 2.497 -8.121 215 HE3 LYS 30 2HE LYS 30 7.522 3.531 -6.776 216 HZ1 LYS 30 1HZ LYS 30 7.740 5.329 -8.034 217 HZ2 LYS 30 2HZ LYS 30 7.912 4.310 -9.373 218 HZ3 LYS 30 3HZ LYS 30 9.283 4.881 -8.563 219 H VAL 31 H VAL 31 9.748 -0.755 -3.195 220 HA VAL 31 HA VAL 31 10.596 1.274 -1.233 221 HB VAL 31 HB VAL 31 9.583 -0.942 -0.420 222 HG11 VAL 31 1HG1 VAL 31 12.311 -2.084 -0.775 223 HG12 VAL 31 2HG1 VAL 31 10.762 -2.904 -0.566 224 HG13 VAL 31 3HG1 VAL 31 11.171 -2.168 -2.117 225 HG21 VAL 31 1HG2 VAL 31 11.210 0.787 0.760 226 HG22 VAL 31 2HG2 VAL 31 10.715 -0.712 1.547 227 HG23 VAL 31 3HG2 VAL 31 12.289 -0.608 0.757 228 H LYS 32 H LYS 32 12.809 1.529 -0.791 229 HA LYS 32 HA LYS 32 14.513 1.166 -3.066 230 HB2 LYS 32 1HB LYS 32 14.499 3.121 -1.385 231 HB3 LYS 32 2HB LYS 32 15.429 2.055 -0.340 232 HG2 LYS 32 1HG LYS 32 17.070 3.271 -1.408 233 HG3 LYS 32 2HG LYS 32 16.991 1.804 -2.387 234 HD2 LYS 32 1HD LYS 32 15.199 3.243 -3.715 235 HD3 LYS 32 2HD LYS 32 16.132 4.577 -3.031 236 HE2 LYS 32 1HE LYS 32 17.607 2.338 -4.318 237 HE3 LYS 32 2HE LYS 32 16.758 3.481 -5.358 238 HZ1 LYS 32 1HZ LYS 32 18.695 4.589 -5.179 239 HZ2 LYS 32 2HZ LYS 32 19.117 3.875 -3.706 240 HZ3 LYS 32 3HZ LYS 32 18.016 5.158 -3.738 241 H ALA 33 H ALA 33 16.048 -0.332 -3.416 242 HA ALA 33 HA ALA 33 16.741 -2.162 -1.219 243 HB1 ALA 33 1HB ALA 33 16.754 -3.527 -3.754 244 HB2 ALA 33 2HB ALA 33 15.914 -3.942 -2.260 245 HB3 ALA 33 3HB ALA 33 15.162 -2.845 -3.418 246 H GLU 34 H GLU 34 18.740 -3.421 -1.668 247 HA GLU 34 HA GLU 34 20.585 -2.007 -3.467 248 HB2 GLU 34 1HB GLU 34 21.164 -2.826 -0.615 249 HB3 GLU 34 2HB GLU 34 22.353 -2.189 -1.742 250 HG2 GLU 34 1HG GLU 34 20.945 -0.122 -1.909 251 HG3 GLU 34 2HG GLU 34 19.977 -0.762 -0.583 252 H ASP 35 H ASP 35 20.130 -4.886 -1.433 253 HA ASP 35 HA ASP 35 21.980 -6.404 -3.087 254 HB2 ASP 35 1HB ASP 35 22.085 -6.734 -0.676 255 HB3 ASP 35 2HB ASP 35 20.384 -7.191 -0.640 256 H LEU 36 H LEU 36 21.337 -8.540 -3.922 257 HA LEU 36 HA LEU 36 18.625 -8.414 -5.044 258 HB2 LEU 36 1HB LEU 36 20.928 -10.096 -6.006 259 HB3 LEU 36 2HB LEU 36 19.415 -9.765 -6.846 260 HG LEU 36 HG LEU 36 21.626 -7.783 -6.303 261 HD11 LEU 36 1HD1 LEU 36 21.777 -9.670 -8.130 262 HD12 LEU 36 2HD1 LEU 36 22.292 -8.020 -8.476 263 HD13 LEU 36 3HD1 LEU 36 20.711 -8.581 -9.018 264 HD21 LEU 36 1HD2 LEU 36 18.886 -7.322 -6.698 265 HD22 LEU 36 2HD2 LEU 36 19.673 -6.950 -8.232 266 HD23 LEU 36 3HD2 LEU 36 20.199 -6.145 -6.753 267 H LEU 37 H LEU 37 20.915 -10.564 -3.435 268 HA LEU 37 HA LEU 37 19.526 -12.944 -3.479 269 HB2 LEU 37 1HB LEU 37 21.304 -11.714 -1.399 270 HB3 LEU 37 2HB LEU 37 20.606 -13.317 -1.184 271 HG LEU 37 HG LEU 37 22.904 -13.442 -1.989 272 HD11 LEU 37 1HD1 LEU 37 21.235 -15.153 -2.643 273 HD12 LEU 37 2HD1 LEU 37 22.545 -14.969 -3.807 274 HD13 LEU 37 3HD1 LEU 37 20.963 -14.265 -4.142 275 HD21 LEU 37 1HD2 LEU 37 23.539 -12.622 -4.165 276 HD22 LEU 37 2HD2 LEU 37 22.908 -11.286 -3.201 277 HD23 LEU 37 3HD2 LEU 37 21.906 -12.020 -4.454 278 H ARG 38 H ARG 38 19.171 -10.247 -1.203 279 HA ARG 38 HA ARG 38 16.993 -11.573 0.173 280 HB2 ARG 38 1HB ARG 38 18.105 -8.781 0.509 281 HB3 ARG 38 2HB ARG 38 16.941 -9.556 1.574 282 HG2 ARG 38 1HG ARG 38 19.627 -10.780 1.073 283 HG3 ARG 38 2HG ARG 38 19.406 -9.508 2.276 284 HD2 ARG 38 1HD ARG 38 19.168 -11.481 3.497 285 HD3 ARG 38 2HD ARG 38 17.509 -10.972 3.187 286 HE ARG 38 HE ARG 38 18.587 -12.815 1.246 287 HH11 ARG 38 2HH1 ARG 38 16.864 -12.453 4.249 288 HH12 ARG 38 1HH1 ARG 38 16.104 -14.008 4.151 289 HH21 ARG 38 2HH2 ARG 38 17.593 -14.863 1.105 290 HH22 ARG 38 1HH2 ARG 38 16.521 -15.378 2.363 291 H LYS 39 H LYS 39 14.874 -10.633 0.384 292 HA LYS 39 HA LYS 39 14.091 -8.703 -1.661 293 HB2 LYS 39 1HB LYS 39 13.756 -10.773 -2.822 294 HB3 LYS 39 2HB LYS 39 12.963 -11.494 -1.428 295 HG2 LYS 39 1HG LYS 39 11.210 -9.641 -1.720 296 HG3 LYS 39 2HG LYS 39 11.916 -9.427 -3.324 297 HD2 LYS 39 1HD LYS 39 10.925 -12.073 -2.277 298 HD3 LYS 39 2HD LYS 39 9.932 -10.965 -3.227 299 HE2 LYS 39 1HE LYS 39 11.897 -11.058 -4.917 300 HE3 LYS 39 2HE LYS 39 12.353 -12.524 -4.050 301 HZ1 LYS 39 1HZ LYS 39 9.596 -12.590 -4.623 302 HZ2 LYS 39 2HZ LYS 39 10.811 -13.642 -5.151 303 HZ3 LYS 39 3HZ LYS 39 10.443 -12.257 -6.049 304 HA PRO 40 HA PRO 40 11.828 -7.373 1.944 305 HB2 PRO 40 1HB PRO 40 10.750 -5.167 0.787 306 HB3 PRO 40 2HB PRO 40 12.426 -5.237 1.342 307 HG2 PRO 40 1HG PRO 40 11.332 -5.570 -1.424 308 HG3 PRO 40 2HG PRO 40 12.762 -4.669 -0.888 309 HD2 PRO 40 1HD PRO 40 12.925 -7.133 -1.998 310 HD3 PRO 40 2HD PRO 40 14.065 -6.566 -0.761 311 H THR 41 H THR 41 9.924 -8.129 2.600 312 HA THR 41 HA THR 41 7.925 -8.920 0.645 313 HB THR 41 HB THR 41 7.905 -9.269 3.649 314 HG1 THR 41 1HG THR 41 8.962 -11.102 3.313 315 HG21 THR 41 1HG2 THR 41 6.388 -11.240 2.306 316 HG22 THR 41 2HG2 THR 41 5.895 -9.676 1.658 317 HG23 THR 41 3HG2 THR 41 5.810 -9.978 3.393 318 H ILE 42 H ILE 42 5.869 -8.101 0.487 319 HA ILE 42 HA ILE 42 5.260 -5.730 2.127 320 HB ILE 42 HB ILE 42 5.910 -5.019 -0.125 321 HG12 ILE 42 1HG1 ILE 42 2.920 -4.732 0.175 322 HG13 ILE 42 2HG1 ILE 42 4.067 -3.882 1.204 323 HG21 ILE 42 1HG2 ILE 42 5.218 -7.146 -1.241 324 HG22 ILE 42 2HG2 ILE 42 3.548 -6.589 -1.137 325 HG23 ILE 42 3HG2 ILE 42 4.723 -5.680 -2.087 326 HD11 ILE 42 1HD1 ILE 42 4.658 -3.547 -1.613 327 HD12 ILE 42 2HD1 ILE 42 3.041 -2.988 -1.184 328 HD13 ILE 42 3HD1 ILE 42 4.450 -2.340 -0.344 329 H LYS 43 H LYS 43 3.080 -5.359 2.613 330 HA LYS 43 HA LYS 43 1.131 -7.372 1.795 331 HB2 LYS 43 1HB LYS 43 2.254 -8.094 3.956 332 HB3 LYS 43 2HB LYS 43 1.510 -6.690 4.709 333 HG2 LYS 43 1HG LYS 43 -0.072 -8.223 5.214 334 HG3 LYS 43 2HG LYS 43 -0.670 -7.751 3.622 335 HD2 LYS 43 1HD LYS 43 -0.679 -10.030 3.397 336 HD3 LYS 43 2HD LYS 43 0.950 -9.671 2.820 337 HE2 LYS 43 1HE LYS 43 1.089 -11.513 4.339 338 HE3 LYS 43 2HE LYS 43 1.784 -10.100 5.130 339 HZ1 LYS 43 1HZ LYS 43 0.453 -10.931 6.774 340 HZ2 LYS 43 2HZ LYS 43 -0.730 -11.500 5.708 341 HZ3 LYS 43 3HZ LYS 43 -0.623 -9.847 6.046 342 H TRP 44 H TRP 44 -0.909 -6.592 1.608 343 HA TRP 44 HA TRP 44 -1.286 -3.752 2.264 344 HB2 TRP 44 1HB TRP 44 -2.779 -5.491 0.288 345 HB3 TRP 44 2HB TRP 44 -3.070 -3.776 0.566 346 HD1 TRP 44 HD TRP 44 -0.376 -6.135 -0.864 347 HE1 TRP 44 1HE TRP 44 1.080 -4.791 -2.507 348 HE3 TRP 44 3HE TRP 44 -2.355 -1.486 -0.085 349 HZ2 TRP 44 2HZ TRP 44 1.354 -2.114 -3.359 350 HZ3 TRP 44 3HZ TRP 44 -1.439 0.413 -1.353 351 HH2 TRP 44 HH TRP 44 0.377 0.104 -2.955 352 H PHE 45 H PHE 45 -2.825 -3.114 3.657 353 HA PHE 45 HA PHE 45 -4.800 -5.101 4.554 354 HB2 PHE 45 1HB PHE 45 -3.028 -3.341 6.238 355 HB3 PHE 45 2HB PHE 45 -4.536 -4.001 6.862 356 HD1 PHE 45 1HD PHE 45 -4.814 -6.456 7.061 357 HD2 PHE 45 2HD PHE 45 -1.088 -4.675 6.033 358 HE1 PHE 45 1HE PHE 45 -3.658 -8.547 7.647 359 HE2 PHE 45 2HE PHE 45 0.075 -6.763 6.617 360 HZ PHE 45 HZ PHE 45 -1.210 -8.703 7.425 361 H LYS 46 H LYS 46 -6.682 -4.119 5.653 362 HA LYS 46 HA LYS 46 -7.178 -1.311 5.116 363 HB2 LYS 46 1HB LYS 46 -7.774 -2.565 3.012 364 HB3 LYS 46 2HB LYS 46 -9.011 -3.404 3.939 365 HG2 LYS 46 1HG LYS 46 -9.009 -0.435 3.983 366 HG3 LYS 46 2HG LYS 46 -9.555 -1.252 2.516 367 HD2 LYS 46 1HD LYS 46 -11.236 -2.453 3.749 368 HD3 LYS 46 2HD LYS 46 -10.620 -1.827 5.280 369 HE2 LYS 46 1HE LYS 46 -11.212 0.446 4.575 370 HE3 LYS 46 2HE LYS 46 -11.840 -0.192 3.057 371 HZ1 LYS 46 1HZ LYS 46 -13.646 0.160 4.561 372 HZ2 LYS 46 2HZ LYS 46 -12.889 -0.736 5.779 373 HZ3 LYS 46 3HZ LYS 46 -13.437 -1.509 4.378 374 H GLY 47 H GLY 47 -8.806 -0.434 6.380 375 HA2 GLY 47 1HA GLY 47 -10.347 -0.304 8.085 376 HA3 GLY 47 2HA GLY 47 -10.678 -2.012 7.835 377 H LYS 48 H LYS 48 -10.568 -2.931 9.781 378 HA LYS 48 HA LYS 48 -8.343 -2.205 11.559 379 HB2 LYS 48 1HB LYS 48 -10.518 -1.943 12.582 380 HB3 LYS 48 2HB LYS 48 -10.974 -3.580 12.125 381 HG2 LYS 48 1HG LYS 48 -9.764 -4.535 13.797 382 HG3 LYS 48 2HG LYS 48 -8.562 -3.243 13.818 383 HD2 LYS 48 1HD LYS 48 -10.034 -3.330 15.840 384 HD3 LYS 48 2HD LYS 48 -10.049 -1.783 14.989 385 HE2 LYS 48 1HE LYS 48 -12.140 -2.392 13.897 386 HE3 LYS 48 2HE LYS 48 -12.116 -3.962 14.698 387 HZ1 LYS 48 1HZ LYS 48 -12.102 -2.652 16.844 388 HZ2 LYS 48 2HZ LYS 48 -13.546 -2.630 15.962 389 HZ3 LYS 48 3HZ LYS 48 -12.508 -1.295 15.919 390 H TRP 49 H TRP 49 -10.158 -5.071 10.466 391 HA TRP 49 HA TRP 49 -7.726 -6.668 10.933 392 HB2 TRP 49 1HB TRP 49 -10.585 -7.654 10.850 393 HB3 TRP 49 2HB TRP 49 -9.157 -8.603 11.253 394 HD1 TRP 49 HD TRP 49 -11.666 -6.206 12.753 395 HE1 TRP 49 1HE TRP 49 -11.231 -5.992 15.281 396 HE3 TRP 49 3HE TRP 49 -7.191 -8.663 13.017 397 HZ2 TRP 49 2HZ TRP 49 -9.252 -6.762 17.140 398 HZ3 TRP 49 3HZ TRP 49 -6.092 -8.881 15.208 399 HH2 TRP 49 HH TRP 49 -7.103 -7.949 17.226 400 H MET 50 H MET 50 -10.333 -5.935 8.699 401 HA MET 50 HA MET 50 -10.118 -7.797 6.749 402 HB2 MET 50 1HB MET 50 -11.409 -5.485 6.874 403 HB3 MET 50 2HB MET 50 -10.081 -4.951 5.852 404 HG2 MET 50 1HG MET 50 -10.659 -7.002 4.408 405 HG3 MET 50 2HG MET 50 -12.185 -6.997 5.289 406 HE1 MET 50 1HE MET 50 -9.798 -5.359 2.962 407 HE2 MET 50 2HE MET 50 -11.025 -5.946 1.838 408 HE3 MET 50 3HE MET 50 -10.756 -4.212 2.025 409 H ASP 51 H ASP 51 -8.394 -8.703 5.854 410 HA ASP 51 HA ASP 51 -6.036 -7.029 5.306 411 HB2 ASP 51 1HB ASP 51 -5.434 -8.807 6.771 412 HB3 ASP 51 2HB ASP 51 -6.317 -9.991 5.811 413 H LEU 52 H LEU 52 -6.321 -6.261 3.282 414 HA LEU 52 HA LEU 52 -7.653 -7.357 1.161 415 HB2 LEU 52 1HB LEU 52 -5.053 -5.867 0.887 416 HB3 LEU 52 2HB LEU 52 -6.373 -5.945 -0.278 417 HG LEU 52 HG LEU 52 -6.496 -4.575 2.409 418 HD11 LEU 52 1HD1 LEU 52 -6.782 -2.929 0.039 419 HD12 LEU 52 2HD1 LEU 52 -5.207 -3.716 0.122 420 HD13 LEU 52 3HD1 LEU 52 -5.758 -2.705 1.457 421 HD21 LEU 52 1HD2 LEU 52 -8.460 -4.120 0.226 422 HD22 LEU 52 2HD2 LEU 52 -8.666 -4.024 1.975 423 HD23 LEU 52 3HD2 LEU 52 -8.603 -5.597 1.179 424 H ALA 53 H ALA 53 -4.293 -7.950 2.108 425 HA ALA 53 HA ALA 53 -3.281 -9.380 0.049 426 HB1 ALA 53 1HB ALA 53 -1.745 -10.256 1.504 427 HB2 ALA 53 2HB ALA 53 -2.378 -8.925 2.474 428 HB3 ALA 53 3HB ALA 53 -2.946 -10.571 2.757 429 H SER 54 H SER 54 -5.382 -10.726 2.590 430 HA SER 54 HA SER 54 -5.533 -13.290 1.301 431 HB2 SER 54 1HB SER 54 -6.622 -14.009 3.189 432 HB3 SER 54 2HB SER 54 -5.836 -12.579 3.857 433 HG SER 54 HG SER 54 -7.720 -11.679 4.108 434 H LYS 55 H LYS 55 -7.405 -10.355 1.328 435 HA LYS 55 HA LYS 55 -9.815 -11.407 0.281 436 HB2 LYS 55 1HB LYS 55 -8.697 -8.610 0.018 437 HB3 LYS 55 2HB LYS 55 -10.368 -9.082 -0.260 438 HG2 LYS 55 1HG LYS 55 -8.960 -9.397 2.380 439 HG3 LYS 55 2HG LYS 55 -9.933 -7.991 1.940 440 HD2 LYS 55 1HD LYS 55 -11.820 -9.627 1.477 441 HD3 LYS 55 2HD LYS 55 -10.828 -10.844 2.284 442 HE2 LYS 55 1HE LYS 55 -10.696 -9.006 4.163 443 HE3 LYS 55 2HE LYS 55 -12.184 -8.439 3.407 444 HZ1 LYS 55 1HZ LYS 55 -12.301 -11.235 3.747 445 HZ2 LYS 55 2HZ LYS 55 -13.301 -10.044 4.414 446 HZ3 LYS 55 3HZ LYS 55 -11.893 -10.517 5.223 447 H ALA 56 H ALA 56 -6.817 -10.364 -1.177 448 HA ALA 56 HA ALA 56 -7.587 -9.973 -3.809 449 HB1 ALA 56 1HB ALA 56 -5.132 -10.402 -2.391 450 HB2 ALA 56 2HB ALA 56 -5.110 -11.285 -3.918 451 HB3 ALA 56 3HB ALA 56 -5.412 -9.547 -3.909 452 H GLY 57 H GLY 57 -8.612 -11.260 -5.186 453 HA2 GLY 57 1HA GLY 57 -7.797 -13.995 -5.563 454 HA3 GLY 57 2HA GLY 57 -9.386 -13.846 -4.828 455 H LYS 58 H LYS 58 -10.680 -11.953 -6.064 456 HA LYS 58 HA LYS 58 -10.394 -12.422 -8.952 457 HB2 LYS 58 1HB LYS 58 -12.160 -13.900 -8.061 458 HB3 LYS 58 2HB LYS 58 -12.997 -12.495 -7.414 459 HG2 LYS 58 1HG LYS 58 -13.602 -11.729 -9.526 460 HG3 LYS 58 2HG LYS 58 -12.377 -12.708 -10.335 461 HD2 LYS 58 1HD LYS 58 -14.278 -13.917 -10.796 462 HD3 LYS 58 2HD LYS 58 -13.735 -14.703 -9.312 463 HE2 LYS 58 1HE LYS 58 -15.263 -13.205 -8.039 464 HE3 LYS 58 2HE LYS 58 -15.873 -12.592 -9.575 465 HZ1 LYS 58 1HZ LYS 58 -17.129 -14.392 -9.868 466 HZ2 LYS 58 2HZ LYS 58 -16.871 -14.716 -8.228 467 HZ3 LYS 58 3HZ LYS 58 -15.903 -15.459 -9.399 468 H HIS 59 H HIS 59 -12.466 -10.582 -6.700 469 HA HIS 59 HA HIS 59 -12.776 -8.380 -8.444 470 HB2 HIS 59 1HB HIS 59 -13.250 -8.767 -5.497 471 HB3 HIS 59 2HB HIS 59 -13.501 -7.203 -6.267 472 HD1 HIS 59 1HD HIS 59 -15.793 -6.827 -7.103 473 HD2 HIS 59 2HD HIS 59 -14.879 -10.874 -6.875 474 HE1 HIS 59 1HE HIS 59 -17.905 -8.031 -7.748 475 HE2 HIS 59 2HE HIS 59 -17.352 -10.478 -7.520 476 H LEU 60 H LEU 60 -10.356 -9.223 -6.096 477 HA LEU 60 HA LEU 60 -9.007 -6.654 -6.613 478 HB2 LEU 60 1HB LEU 60 -9.578 -6.628 -4.336 479 HB3 LEU 60 2HB LEU 60 -9.146 -8.324 -4.124 480 HG LEU 60 HG LEU 60 -6.735 -7.381 -4.742 481 HD11 LEU 60 1HD1 LEU 60 -8.339 -5.020 -4.209 482 HD12 LEU 60 2HD1 LEU 60 -6.720 -5.159 -4.894 483 HD13 LEU 60 3HD1 LEU 60 -6.939 -5.145 -3.144 484 HD21 LEU 60 1HD2 LEU 60 -6.276 -7.975 -2.640 485 HD22 LEU 60 2HD2 LEU 60 -8.001 -8.305 -2.484 486 HD23 LEU 60 3HD2 LEU 60 -7.350 -6.749 -1.966 487 H GLN 61 H GLN 61 -6.791 -6.686 -6.992 488 HA GLN 61 HA GLN 61 -5.398 -9.237 -7.035 489 HB2 GLN 61 1HB GLN 61 -5.794 -7.568 -9.523 490 HB3 GLN 61 2HB GLN 61 -4.675 -8.918 -9.392 491 HG2 GLN 61 1HG GLN 61 -7.576 -9.301 -8.793 492 HG3 GLN 61 2HG GLN 61 -6.999 -9.282 -10.459 493 HE21 GLN 61 1HE2 GLN 61 -7.276 -11.076 -7.574 494 HE22 GLN 61 2HE2 GLN 61 -6.479 -12.510 -8.115 495 H LEU 62 H LEU 62 -3.384 -8.969 -6.336 496 HA LEU 62 HA LEU 62 -2.302 -6.252 -6.205 497 HB2 LEU 62 1HB LEU 62 -1.165 -8.712 -4.905 498 HB3 LEU 62 2HB LEU 62 -0.855 -7.025 -4.499 499 HG LEU 62 HG LEU 62 -3.500 -8.415 -4.088 500 HD11 LEU 62 1HD1 LEU 62 -2.342 -9.477 -2.466 501 HD12 LEU 62 2HD1 LEU 62 -2.593 -7.957 -1.609 502 HD13 LEU 62 3HD1 LEU 62 -1.062 -8.265 -2.429 503 HD21 LEU 62 1HD2 LEU 62 -3.953 -6.140 -4.221 504 HD22 LEU 62 2HD2 LEU 62 -2.430 -5.689 -3.455 505 HD23 LEU 62 3HD2 LEU 62 -3.725 -6.402 -2.492 506 H LYS 63 H LYS 63 -0.046 -5.878 -6.704 507 HA LYS 63 HA LYS 63 1.078 -7.783 -8.645 508 HB2 LYS 63 1HB LYS 63 -0.075 -5.525 -9.490 509 HB3 LYS 63 2HB LYS 63 1.512 -4.875 -9.099 510 HG2 LYS 63 1HG LYS 63 2.577 -6.369 -10.631 511 HG3 LYS 63 2HG LYS 63 1.065 -7.235 -10.911 512 HD2 LYS 63 1HD LYS 63 0.178 -5.543 -12.200 513 HD3 LYS 63 2HD LYS 63 1.185 -4.302 -11.450 514 HE2 LYS 63 1HE LYS 63 3.122 -5.711 -12.571 515 HE3 LYS 63 2HE LYS 63 1.818 -6.199 -13.652 516 HZ1 LYS 63 1HZ LYS 63 3.198 -3.688 -13.470 517 HZ2 LYS 63 2HZ LYS 63 1.516 -3.512 -13.484 518 HZ3 LYS 63 3HZ LYS 63 2.290 -4.331 -14.744 519 H GLU 64 H GLU 64 3.352 -7.806 -8.813 520 HA GLU 64 HA GLU 64 4.918 -6.136 -7.037 521 HB2 GLU 64 1HB GLU 64 4.478 -7.745 -5.408 522 HB3 GLU 64 2HB GLU 64 4.481 -9.065 -6.570 523 HG2 GLU 64 1HG GLU 64 6.947 -8.673 -6.848 524 HG3 GLU 64 2HG GLU 64 6.847 -7.576 -5.472 525 H THR 65 H THR 65 6.769 -5.639 -8.002 526 HA THR 65 HA THR 65 8.030 -7.568 -9.807 527 HB THR 65 HB THR 65 6.579 -5.976 -11.143 528 HG1 THR 65 1HG THR 65 8.492 -7.092 -11.964 529 HG21 THR 65 1HG2 THR 65 7.679 -3.731 -11.554 530 HG22 THR 65 2HG2 THR 65 8.624 -4.027 -10.095 531 HG23 THR 65 3HG2 THR 65 6.867 -3.917 -10.001 532 H PHE 66 H PHE 66 10.262 -6.931 -10.391 533 HA PHE 66 HA PHE 66 11.495 -5.139 -8.414 534 HB2 PHE 66 1HB PHE 66 11.905 -7.301 -7.510 535 HB3 PHE 66 2HB PHE 66 12.310 -7.963 -9.090 536 HD1 PHE 66 1HD PHE 66 13.463 -5.628 -6.462 537 HD2 PHE 66 2HD PHE 66 14.514 -7.932 -9.883 538 HE1 PHE 66 1HE PHE 66 15.843 -5.168 -6.037 539 HE2 PHE 66 2HE PHE 66 16.895 -7.477 -9.463 540 HZ PHE 66 HZ PHE 66 17.562 -6.094 -7.537 541 H GLU 67 H GLU 67 13.315 -4.029 -9.095 542 HA GLU 67 HA GLU 67 14.028 -4.348 -11.936 543 HB2 GLU 67 1HB GLU 67 13.659 -1.795 -10.365 544 HB3 GLU 67 2HB GLU 67 14.420 -1.862 -11.948 545 HG2 GLU 67 1HG GLU 67 12.321 -1.361 -12.606 546 HG3 GLU 67 2HG GLU 67 12.162 -3.115 -12.555 547 H ARG 68 H ARG 68 15.981 -5.278 -11.887 548 HA ARG 68 HA ARG 68 17.883 -4.899 -9.819 549 HB2 ARG 68 1HB ARG 68 19.427 -5.916 -11.715 550 HB3 ARG 68 2HB ARG 68 18.242 -6.903 -10.869 551 HG2 ARG 68 1HG ARG 68 17.368 -5.518 -13.341 552 HG3 ARG 68 2HG ARG 68 18.454 -6.900 -13.504 553 HD2 ARG 68 1HD ARG 68 16.905 -8.385 -12.719 554 HD3 ARG 68 2HD ARG 68 16.104 -7.181 -11.710 555 HE ARG 68 HE ARG 68 14.718 -6.685 -13.463 556 HH11 ARG 68 2HH1 ARG 68 17.445 -8.501 -14.640 557 HH12 ARG 68 1HH1 ARG 68 16.791 -8.700 -16.232 558 HH21 ARG 68 2HH2 ARG 68 13.846 -6.941 -15.556 559 HH22 ARG 68 1HH2 ARG 68 14.745 -7.812 -16.752 560 H HIS 69 H HIS 69 17.427 -3.450 -12.994 561 HA HIS 69 HA HIS 69 19.847 -2.133 -13.298 562 HB2 HIS 69 1HB HIS 69 18.205 -0.342 -14.430 563 HB3 HIS 69 2HB HIS 69 18.596 -1.882 -15.189 564 HD1 HIS 69 1HD HIS 69 16.744 -3.715 -15.169 565 HD2 HIS 69 2HD HIS 69 15.569 -0.054 -13.594 566 HE1 HIS 69 1HE HIS 69 14.235 -3.819 -15.024 567 HE2 HIS 69 2HE HIS 69 13.541 -1.562 -14.148 568 H SER 70 H SER 70 17.039 -1.258 -11.374 569 HA SER 70 HA SER 70 18.504 1.098 -10.382 570 HB2 SER 70 1HB SER 70 16.384 2.096 -9.823 571 HB3 SER 70 2HB SER 70 16.289 1.526 -11.489 572 HG SER 70 HG SER 70 14.438 0.896 -10.393 573 H ARG 71 H ARG 71 17.566 -2.011 -9.596 574 HA ARG 71 HA ARG 71 17.523 -3.228 -7.675 575 HB2 ARG 71 1HB ARG 71 19.182 -0.909 -6.669 576 HB3 ARG 71 2HB ARG 71 18.994 -2.446 -5.836 577 HG2 ARG 71 1HG ARG 71 19.844 -3.369 -8.180 578 HG3 ARG 71 2HG ARG 71 20.582 -1.767 -8.236 579 HD2 ARG 71 1HD ARG 71 21.275 -2.425 -5.758 580 HD3 ARG 71 2HD ARG 71 21.120 -4.052 -6.420 581 HE ARG 71 HE ARG 71 22.983 -3.678 -7.730 582 HH11 ARG 71 2HH1 ARG 71 21.968 -0.716 -6.207 583 HH12 ARG 71 1HH1 ARG 71 23.409 0.148 -6.630 584 HH21 ARG 71 2HH2 ARG 71 24.885 -2.551 -8.292 585 HH22 ARG 71 1HH2 ARG 71 25.067 -0.897 -7.816 586 H VAL 72 H VAL 72 15.196 -1.994 -8.025 587 HA VAL 72 HA VAL 72 14.393 -1.336 -5.292 588 HB VAL 72 HB VAL 72 13.657 0.356 -7.685 589 HG11 VAL 72 1HG1 VAL 72 12.851 0.976 -4.877 590 HG12 VAL 72 2HG1 VAL 72 12.122 1.499 -6.397 591 HG13 VAL 72 3HG1 VAL 72 11.895 -0.157 -5.833 592 HG21 VAL 72 1HG2 VAL 72 15.318 0.916 -5.234 593 HG22 VAL 72 2HG2 VAL 72 15.848 0.926 -6.917 594 HG23 VAL 72 3HG2 VAL 72 14.737 2.165 -6.335 595 H TYR 73 H TYR 73 12.483 -2.213 -4.719 596 HA TYR 73 HA TYR 73 11.135 -3.881 -6.686 597 HB2 TYR 73 1HB TYR 73 10.878 -3.651 -3.685 598 HB3 TYR 73 2HB TYR 73 9.867 -4.707 -4.664 599 HD1 TYR 73 2HD TYR 73 13.356 -4.053 -3.613 600 HD2 TYR 73 1HD TYR 73 10.655 -6.815 -5.396 601 HE1 TYR 73 2HE TYR 73 15.072 -5.809 -3.479 602 HE2 TYR 73 1HE TYR 73 12.363 -8.579 -5.266 603 HH TYR 73 HH TYR 73 15.543 -8.029 -4.812 604 H THR 74 H THR 74 9.334 -3.298 -7.688 605 HA THR 74 HA THR 74 7.818 -1.008 -6.636 606 HB THR 74 HB THR 74 7.841 -2.118 -9.449 607 HG1 THR 74 1HG THR 74 9.361 -0.674 -9.860 608 HG21 THR 74 1HG2 THR 74 5.753 -1.083 -9.159 609 HG22 THR 74 2HG2 THR 74 6.759 0.163 -9.896 610 HG23 THR 74 3HG2 THR 74 6.432 0.204 -8.164 611 H PHE 75 H PHE 75 6.167 -1.707 -5.427 612 HA PHE 75 HA PHE 75 4.634 -4.040 -6.339 613 HB2 PHE 75 1HB PHE 75 4.394 -2.714 -3.643 614 HB3 PHE 75 2HB PHE 75 3.897 -4.339 -4.106 615 HD1 PHE 75 1HD PHE 75 5.632 -6.070 -4.550 616 HD2 PHE 75 2HD PHE 75 6.580 -2.268 -2.888 617 HE1 PHE 75 1HE PHE 75 7.790 -6.954 -3.767 618 HE2 PHE 75 2HE PHE 75 8.740 -3.146 -2.103 619 HZ PHE 75 HZ PHE 75 9.348 -5.491 -2.543 620 H GLU 76 H GLU 76 2.440 -3.938 -6.680 621 HA GLU 76 HA GLU 76 1.139 -1.324 -6.385 622 HB2 GLU 76 1HB GLU 76 0.833 -3.019 -8.862 623 HB3 GLU 76 2HB GLU 76 0.226 -1.391 -8.594 624 HG2 GLU 76 1HG GLU 76 2.247 -0.419 -8.975 625 HG3 GLU 76 2HG GLU 76 3.154 -1.822 -8.413 626 H MET 77 H MET 77 -1.274 -1.507 -6.716 627 HA MET 77 HA MET 77 -2.309 -4.145 -5.961 628 HB2 MET 77 1HB MET 77 -2.063 -2.965 -3.868 629 HB3 MET 77 2HB MET 77 -2.875 -1.550 -4.522 630 HG2 MET 77 1HG MET 77 -4.956 -2.525 -4.420 631 HG3 MET 77 2HG MET 77 -4.305 -4.162 -4.452 632 HE1 MET 77 1HE MET 77 -4.754 -1.418 -0.806 633 HE2 MET 77 2HE MET 77 -3.675 -0.941 -2.117 634 HE3 MET 77 3HE MET 77 -5.399 -1.154 -2.426 635 H GLN 78 H GLN 78 -3.474 -4.572 -7.749 636 HA GLN 78 HA GLN 78 -5.092 -2.496 -8.982 637 HB2 GLN 78 1HB GLN 78 -3.704 -4.564 -10.048 638 HB3 GLN 78 2HB GLN 78 -5.309 -5.277 -9.954 639 HG2 GLN 78 1HG GLN 78 -6.212 -3.397 -11.235 640 HG3 GLN 78 2HG GLN 78 -4.594 -2.706 -11.346 641 HE21 GLN 78 1HE2 GLN 78 -3.001 -4.720 -11.969 642 HE22 GLN 78 2HE2 GLN 78 -3.461 -5.462 -13.460 643 H ILE 79 H ILE 79 -7.012 -2.073 -8.120 644 HA ILE 79 HA ILE 79 -8.543 -4.257 -6.895 645 HB ILE 79 HB ILE 79 -8.971 -1.275 -6.674 646 HG12 ILE 79 1HG1 ILE 79 -7.487 -3.271 -5.011 647 HG13 ILE 79 2HG1 ILE 79 -7.048 -1.618 -5.429 648 HG21 ILE 79 1HG2 ILE 79 -10.301 -3.583 -5.263 649 HG22 ILE 79 2HG2 ILE 79 -10.513 -1.884 -4.844 650 HG23 ILE 79 3HG2 ILE 79 -11.048 -2.478 -6.416 651 HD11 ILE 79 1HD1 ILE 79 -8.929 -2.586 -3.317 652 HD12 ILE 79 2HD1 ILE 79 -7.535 -1.516 -3.166 653 HD13 ILE 79 3HD1 ILE 79 -9.013 -0.935 -3.932 654 H ILE 80 H ILE 80 -10.082 -5.161 -8.075 655 HA ILE 80 HA ILE 80 -11.289 -3.622 -10.266 656 HB ILE 80 HB ILE 80 -11.584 -6.587 -9.858 657 HG12 ILE 80 1HG1 ILE 80 -9.717 -6.410 -11.813 658 HG13 ILE 80 2HG1 ILE 80 -9.244 -5.044 -10.809 659 HG21 ILE 80 1HG2 ILE 80 -12.536 -4.680 -11.760 660 HG22 ILE 80 2HG2 ILE 80 -11.482 -5.836 -12.571 661 HG23 ILE 80 3HG2 ILE 80 -12.875 -6.407 -11.653 662 HD11 ILE 80 1HD1 ILE 80 -8.003 -6.985 -10.153 663 HD12 ILE 80 2HD1 ILE 80 -9.139 -6.570 -8.868 664 HD13 ILE 80 3HD1 ILE 80 -9.487 -7.917 -9.953 665 H LYS 81 H LYS 81 -13.367 -3.040 -10.216 666 HA LYS 81 HA LYS 81 -15.523 -2.786 -9.536 667 HB2 LYS 81 1HB LYS 81 -15.164 -5.548 -8.357 668 HB3 LYS 81 2HB LYS 81 -16.700 -4.732 -8.617 669 HG2 LYS 81 1HG LYS 81 -15.775 -4.625 -11.106 670 HG3 LYS 81 2HG LYS 81 -14.897 -6.054 -10.557 671 HD2 LYS 81 1HD LYS 81 -17.172 -6.876 -9.696 672 HD3 LYS 81 2HD LYS 81 -17.863 -5.615 -10.721 673 HE2 LYS 81 1HE LYS 81 -16.781 -6.585 -12.671 674 HE3 LYS 81 2HE LYS 81 -16.023 -7.814 -11.660 675 HZ1 LYS 81 1HZ LYS 81 -18.236 -8.632 -11.086 676 HZ2 LYS 81 2HZ LYS 81 -17.967 -8.699 -12.754 677 HZ3 LYS 81 3HZ LYS 81 -18.940 -7.477 -12.103 678 H ALA 82 H ALA 82 -13.637 -1.570 -7.976 679 HA ALA 82 HA ALA 82 -13.512 -2.069 -5.285 680 HB1 ALA 82 1HB ALA 82 -13.927 0.745 -6.193 681 HB2 ALA 82 2HB ALA 82 -12.791 0.101 -5.008 682 HB3 ALA 82 3HB ALA 82 -12.503 -0.146 -6.730 683 H LYS 83 H LYS 83 -15.099 -2.532 -3.918 684 HA LYS 83 HA LYS 83 -17.757 -1.413 -4.305 685 HB2 LYS 83 1HB LYS 83 -16.908 -3.291 -2.108 686 HB3 LYS 83 2HB LYS 83 -18.525 -3.033 -2.751 687 HG2 LYS 83 1HG LYS 83 -17.997 -4.168 -4.767 688 HG3 LYS 83 2HG LYS 83 -16.278 -4.206 -4.368 689 HD2 LYS 83 1HD LYS 83 -16.867 -5.609 -2.374 690 HD3 LYS 83 2HD LYS 83 -18.514 -5.699 -3.004 691 HE2 LYS 83 1HE LYS 83 -16.231 -6.434 -4.778 692 HE3 LYS 83 2HE LYS 83 -16.761 -7.576 -3.544 693 HZ1 LYS 83 1HZ LYS 83 -18.292 -8.216 -4.997 694 HZ2 LYS 83 2HZ LYS 83 -17.980 -6.918 -6.035 695 HZ3 LYS 83 3HZ LYS 83 -19.068 -6.733 -4.753 696 H ASP 84 H ASP 84 -18.950 -0.651 -2.330 697 HA ASP 84 HA ASP 84 -17.745 1.617 -1.260 698 HB2 ASP 84 1HB ASP 84 -19.728 1.981 -0.151 699 HB3 ASP 84 2HB ASP 84 -20.266 0.822 -1.363 700 H ASN 85 H ASN 85 -17.589 -1.675 -0.239 701 HA ASN 85 HA ASN 85 -16.829 -1.189 2.466 702 HB2 ASN 85 1HB ASN 85 -17.597 -3.341 2.256 703 HB3 ASN 85 2HB ASN 85 -16.904 -3.547 0.650 704 HD21 ASN 85 1HD2 ASN 85 -14.667 -4.006 0.468 705 HD22 ASN 85 2HD2 ASN 85 -13.808 -4.739 1.775 706 H PHE 86 H PHE 86 -15.211 -0.929 -0.512 707 HA PHE 86 HA PHE 86 -12.562 -1.446 0.489 708 HB2 PHE 86 1HB PHE 86 -13.582 -0.272 -2.100 709 HB3 PHE 86 2HB PHE 86 -11.869 -0.475 -1.744 710 HD1 PHE 86 2HD PHE 86 -14.907 -2.608 -1.333 711 HD2 PHE 86 1HD PHE 86 -10.958 -2.239 -2.878 712 HE1 PHE 86 2HE PHE 86 -15.017 -4.924 -2.156 713 HE2 PHE 86 1HE PHE 86 -11.062 -4.554 -3.704 714 HZ PHE 86 HZ PHE 86 -13.092 -5.900 -3.343 715 H ALA 87 H ALA 87 -14.713 1.108 0.745 716 HA ALA 87 HA ALA 87 -12.701 3.205 0.789 717 HB1 ALA 87 1HB ALA 87 -15.129 4.196 1.797 718 HB2 ALA 87 2HB ALA 87 -14.446 4.438 0.189 719 HB3 ALA 87 3HB ALA 87 -15.547 3.093 0.486 720 H GLY 88 H GLY 88 -11.529 3.614 2.539 721 HA2 GLY 88 1HA GLY 88 -12.483 4.117 5.080 722 HA3 GLY 88 2HA GLY 88 -12.079 2.407 5.063 723 H ASN 89 H ASN 89 -10.171 2.045 5.956 724 HA ASN 89 HA ASN 89 -8.018 4.004 5.494 725 HB2 ASN 89 1HB ASN 89 -8.586 4.012 7.826 726 HB3 ASN 89 2HB ASN 89 -8.567 2.252 7.895 727 HD21 ASN 89 1HD2 ASN 89 -6.385 4.831 6.796 728 HD22 ASN 89 2HD2 ASN 89 -4.982 4.213 7.594 729 H TYR 90 H TYR 90 -6.067 3.290 4.779 730 HA TYR 90 HA TYR 90 -5.791 0.391 4.325 731 HB2 TYR 90 1HB TYR 90 -5.167 2.705 2.507 732 HB3 TYR 90 2HB TYR 90 -4.371 1.148 2.302 733 HD1 TYR 90 2HD TYR 90 -7.866 2.357 2.892 734 HD2 TYR 90 1HD TYR 90 -5.279 -0.180 0.662 735 HE1 TYR 90 2HE TYR 90 -9.790 1.550 1.588 736 HE2 TYR 90 1HE TYR 90 -7.195 -0.993 -0.649 737 HH TYR 90 HH TYR 90 -10.392 -0.474 0.255 738 H ARG 91 H ARG 91 -3.773 -0.522 4.619 739 HA ARG 91 HA ARG 91 -1.664 1.239 5.666 740 HB2 ARG 91 1HB ARG 91 -3.049 -0.115 7.412 741 HB3 ARG 91 2HB ARG 91 -2.117 -1.488 6.830 742 HG2 ARG 91 1HG ARG 91 -0.045 -0.329 7.417 743 HG3 ARG 91 2HG ARG 91 -0.987 1.041 8.010 744 HD2 ARG 91 1HD ARG 91 -1.853 -0.185 9.805 745 HD3 ARG 91 2HD ARG 91 -1.419 -1.729 9.074 746 HE ARG 91 HE ARG 91 0.688 -1.522 9.956 747 HH11 ARG 91 2HH1 ARG 91 -0.964 1.535 10.173 748 HH12 ARG 91 1HH1 ARG 91 0.253 2.270 11.164 749 HH21 ARG 91 2HH2 ARG 91 2.297 -0.565 11.260 750 HH22 ARG 91 1HH2 ARG 91 2.108 1.075 11.780 751 H CYS 92 H CYS 92 0.497 0.327 5.551 752 HA CYS 92 HA CYS 92 0.808 -1.910 3.687 753 HB2 CYS 92 1HB CYS 92 0.876 0.381 2.513 754 HB3 CYS 92 2HB CYS 92 2.418 0.609 3.329 755 HG CYS 92 HG CYS 92 2.283 -0.416 0.473 756 H GLU 93 H GLU 93 2.345 -3.286 4.310 757 HA GLU 93 HA GLU 93 4.307 -2.355 6.302 758 HB2 GLU 93 1HB GLU 93 2.738 -4.897 6.108 759 HB3 GLU 93 2HB GLU 93 4.315 -4.913 6.884 760 HG2 GLU 93 1HG GLU 93 3.617 -3.420 8.565 761 HG3 GLU 93 2HG GLU 93 2.149 -2.998 7.685 762 H VAL 94 H VAL 94 6.402 -2.618 5.843 763 HA VAL 94 HA VAL 94 7.202 -4.563 3.805 764 HB VAL 94 HB VAL 94 6.913 -2.384 2.655 765 HG11 VAL 94 1HG1 VAL 94 7.809 -0.450 3.364 766 HG12 VAL 94 2HG1 VAL 94 7.903 -1.269 4.925 767 HG13 VAL 94 3HG1 VAL 94 9.315 -1.215 3.869 768 HG21 VAL 94 1HG2 VAL 94 9.790 -2.559 2.466 769 HG22 VAL 94 2HG2 VAL 94 9.053 -4.160 2.518 770 HG23 VAL 94 3HG2 VAL 94 8.557 -3.001 1.285 771 H THR 95 H THR 95 8.667 -5.810 4.745 772 HA THR 95 HA THR 95 10.513 -4.606 6.699 773 HB THR 95 HB THR 95 10.027 -7.562 6.442 774 HG1 THR 95 1HG THR 95 8.348 -5.609 7.487 775 HG21 THR 95 1HG2 THR 95 10.750 -5.919 8.862 776 HG22 THR 95 2HG2 THR 95 11.955 -6.608 7.773 777 HG23 THR 95 3HG2 THR 95 10.861 -7.667 8.662 778 H TYR 96 H TYR 96 12.699 -4.880 6.496 779 HA TYR 96 HA TYR 96 13.676 -6.430 4.201 780 HB2 TYR 96 1HB TYR 96 13.480 -3.907 3.750 781 HB3 TYR 96 2HB TYR 96 14.818 -3.727 4.879 782 HD1 TYR 96 2HD TYR 96 14.206 -6.312 2.261 783 HD2 TYR 96 1HD TYR 96 16.657 -3.104 3.603 784 HE1 TYR 96 2HE TYR 96 15.796 -6.773 0.442 785 HE2 TYR 96 1HE TYR 96 18.253 -3.554 1.787 786 HH TYR 96 HH TYR 96 17.611 -5.212 -0.854 787 H LYS 97 H LYS 97 16.263 -6.277 4.328 788 HA LYS 97 HA LYS 97 17.278 -7.941 6.088 789 HB2 LYS 97 1HB LYS 97 18.572 -5.321 5.317 790 HB3 LYS 97 2HB LYS 97 19.426 -6.644 6.100 791 HG2 LYS 97 1HG LYS 97 19.201 -8.042 4.227 792 HG3 LYS 97 2HG LYS 97 17.971 -7.004 3.500 793 HD2 LYS 97 1HD LYS 97 19.502 -5.517 2.706 794 HD3 LYS 97 2HD LYS 97 20.622 -5.790 4.042 795 HE2 LYS 97 1HE LYS 97 21.279 -7.923 3.079 796 HE3 LYS 97 2HE LYS 97 20.115 -7.712 1.772 797 HZ1 LYS 97 1HZ LYS 97 21.340 -5.838 0.969 798 HZ2 LYS 97 2HZ LYS 97 22.413 -7.132 1.147 799 HZ3 LYS 97 3HZ LYS 97 22.397 -5.884 2.289 800 H ASP 98 H ASP 98 17.747 -4.520 6.934 801 HA ASP 98 HA ASP 98 16.938 -5.150 9.690 802 HB2 ASP 98 1HB ASP 98 19.470 -3.798 8.777 803 HB3 ASP 98 2HB ASP 98 18.825 -3.555 10.397 804 H LYS 99 H LYS 99 15.538 -3.819 7.503 805 HA LYS 99 HA LYS 99 15.002 -1.282 8.871 806 HB2 LYS 99 1HB LYS 99 15.115 -1.470 5.863 807 HB3 LYS 99 2HB LYS 99 14.960 -0.021 6.849 808 HG2 LYS 99 1HG LYS 99 17.227 -0.317 7.673 809 HG3 LYS 99 2HG LYS 99 17.387 -1.803 6.733 810 HD2 LYS 99 1HD LYS 99 18.364 -0.343 5.278 811 HD3 LYS 99 2HD LYS 99 16.686 -0.181 4.754 812 HE2 LYS 99 1HE LYS 99 18.252 1.657 6.552 813 HE3 LYS 99 2HE LYS 99 17.571 2.016 4.966 814 HZ1 LYS 99 1HZ LYS 99 15.343 1.629 5.978 815 HZ2 LYS 99 2HZ LYS 99 16.161 2.978 6.588 816 HZ3 LYS 99 3HZ LYS 99 16.092 1.551 7.493 817 H PHE 100 H PHE 100 12.889 -0.861 9.126 818 HA PHE 100 HA PHE 100 10.937 -2.206 7.414 819 HB2 PHE 100 1HB PHE 100 10.928 -3.756 9.166 820 HB3 PHE 100 2HB PHE 100 11.179 -2.516 10.391 821 HD1 PHE 100 1HD PHE 100 8.673 -3.609 7.861 822 HD2 PHE 100 2HD PHE 100 9.386 -1.805 11.649 823 HE1 PHE 100 1HE PHE 100 6.250 -3.545 8.282 824 HE2 PHE 100 2HE PHE 100 6.964 -1.739 12.077 825 HZ PHE 100 HZ PHE 100 5.392 -2.611 10.393 826 H ASP 101 H ASP 101 9.301 -0.912 6.857 827 HA ASP 101 HA ASP 101 8.686 1.413 8.540 828 HB2 ASP 101 1HB ASP 101 9.379 1.424 5.612 829 HB3 ASP 101 2HB ASP 101 8.377 2.690 6.316 830 H SER 102 H SER 102 6.563 2.284 8.235 831 HA SER 102 HA SER 102 4.704 0.573 6.742 832 HB2 SER 102 1HB SER 102 3.206 0.349 8.577 833 HB3 SER 102 2HB SER 102 4.802 -0.050 9.211 834 HG SER 102 HG SER 102 4.725 2.420 9.663 835 H CYS 103 H CYS 103 3.450 1.747 5.463 836 HA CYS 103 HA CYS 103 2.849 4.524 6.239 837 HB2 CYS 103 1HB CYS 103 4.515 4.289 4.346 838 HB3 CYS 103 2HB CYS 103 3.218 3.572 3.397 839 HG CYS 103 HG CYS 103 1.804 6.202 4.356 840 H SER 104 H SER 104 0.758 4.993 6.371 841 HA SER 104 HA SER 104 -1.161 3.147 5.110 842 HB2 SER 104 1HB SER 104 -2.734 3.747 6.878 843 HB3 SER 104 2HB SER 104 -1.225 3.172 7.586 844 HG SER 104 HG SER 104 -1.395 5.900 7.129 845 H PHE 105 H PHE 105 -3.017 3.995 4.114 846 HA PHE 105 HA PHE 105 -3.035 6.892 3.643 847 HB2 PHE 105 1HB PHE 105 -3.687 6.293 1.219 848 HB3 PHE 105 2HB PHE 105 -1.990 6.171 1.672 849 HD1 PHE 105 1HD PHE 105 -1.167 3.837 2.422 850 HD2 PHE 105 2HD PHE 105 -4.744 4.504 0.212 851 HE1 PHE 105 1HE PHE 105 -1.135 1.495 1.668 852 HE2 PHE 105 2HE PHE 105 -4.717 2.163 -0.544 853 HZ PHE 105 HZ PHE 105 -2.912 0.655 0.185 854 H ASP 106 H ASP 106 -5.130 7.411 2.282 855 HA ASP 106 HA ASP 106 -7.356 5.932 3.526 856 HB2 ASP 106 1HB ASP 106 -8.599 8.157 3.312 857 HB3 ASP 106 2HB ASP 106 -7.350 8.059 4.550 858 H LEU 107 H LEU 107 -8.897 5.148 2.222 859 HA LEU 107 HA LEU 107 -8.838 5.962 -0.610 860 HB2 LEU 107 1HB LEU 107 -8.074 3.611 -0.023 861 HB3 LEU 107 2HB LEU 107 -9.750 3.286 0.415 862 HG LEU 107 HG LEU 107 -8.830 2.633 -1.945 863 HD11 LEU 107 1HD1 LEU 107 -11.090 2.225 -1.335 864 HD12 LEU 107 2HD1 LEU 107 -11.114 3.064 -2.886 865 HD13 LEU 107 3HD1 LEU 107 -11.485 3.943 -1.402 866 HD21 LEU 107 1HD2 LEU 107 -8.097 5.086 -2.264 867 HD22 LEU 107 2HD2 LEU 107 -9.800 5.388 -2.608 868 HD23 LEU 107 3HD2 LEU 107 -8.886 4.256 -3.605 869 H GLU 108 H GLU 108 -10.679 6.678 -1.495 870 HA GLU 108 HA GLU 108 -13.130 6.489 0.127 871 HB2 GLU 108 1HB GLU 108 -12.155 8.611 -1.776 872 HB3 GLU 108 2HB GLU 108 -13.835 8.517 -1.268 873 HG2 GLU 108 1HG GLU 108 -13.083 9.977 0.285 874 HG3 GLU 108 2HG GLU 108 -12.717 8.476 1.132 875 H VAL 109 H VAL 109 -15.140 6.189 -0.959 876 HA VAL 109 HA VAL 109 -14.963 5.186 -3.713 877 HB VAL 109 HB VAL 109 -16.481 3.737 -1.544 878 HG11 VAL 109 1HG1 VAL 109 -17.175 2.262 -3.130 879 HG12 VAL 109 2HG1 VAL 109 -17.026 3.696 -4.148 880 HG13 VAL 109 3HG1 VAL 109 -15.739 2.489 -4.129 881 HG21 VAL 109 1HG2 VAL 109 -14.093 2.535 -2.832 882 HG22 VAL 109 2HG2 VAL 109 -13.825 3.755 -1.587 883 HG23 VAL 109 3HG2 VAL 109 -14.745 2.298 -1.210 884 H HIS 110 H HIS 110 -16.350 6.294 -4.910 885 HA HIS 110 HA HIS 110 -18.758 7.403 -3.647 886 HB2 HIS 110 1HB HIS 110 -17.330 8.140 -6.207 887 HB3 HIS 110 2HB HIS 110 -18.855 8.855 -5.691 888 HD1 HIS 110 1HD HIS 110 -17.413 11.126 -5.766 889 HD2 HIS 110 2HD HIS 110 -16.432 8.419 -2.771 890 HE1 HIS 110 1HE HIS 110 -16.073 12.436 -4.089 891 HE2 HIS 110 2HE HIS 110 -15.418 10.757 -2.329 892 H GLU 111 H GLU 111 -20.796 7.050 -4.481 893 HA GLU 111 HA GLU 111 -21.284 4.563 -5.691 894 HB2 GLU 111 1HB GLU 111 -23.085 6.974 -5.414 895 HB3 GLU 111 2HB GLU 111 -23.628 5.381 -5.920 896 HG2 GLU 111 1HG GLU 111 -22.653 4.546 -3.711 897 HG3 GLU 111 2HG GLU 111 -22.603 6.245 -3.242 898 H SER 112 H SER 112 -21.328 3.927 -7.746 899 HA SER 112 HA SER 112 -20.678 5.807 -9.830 900 HB2 SER 112 1HB SER 112 -19.781 3.427 -9.644 901 HB3 SER 112 2HB SER 112 -21.367 2.890 -10.198 902 HG SER 112 HG SER 112 -19.650 4.674 -11.588 903 H THR 113 H THR 113 -22.635 7.093 -9.661 904 HA THR 113 HA THR 113 -24.677 7.780 -10.395 905 HB THR 113 HB THR 113 -24.545 5.486 -12.355 906 HG1 THR 113 1HG THR 113 -22.648 7.026 -12.219 907 HG21 THR 113 1HG2 THR 113 -26.268 6.454 -13.423 908 HG22 THR 113 2HG2 THR 113 -25.621 8.078 -13.189 909 HG23 THR 113 3HG2 THR 113 -26.544 7.302 -11.902 910 H GLY 114 H GLY 114 -24.628 5.982 -8.196 911 HA2 GLY 114 1HA GLY 114 -26.867 4.157 -8.630 912 HA3 GLY 114 2HA GLY 114 -25.879 4.265 -7.180 913 H THR 115 H THR 115 -28.137 4.108 -6.261 914 HA THR 115 HA THR 115 -29.221 6.828 -5.933 915 HB THR 115 HB THR 115 -31.469 5.841 -5.637 916 HG1 THR 115 1HG THR 115 -30.154 3.585 -5.459 917 HG21 THR 115 1HG2 THR 115 -31.752 5.100 -8.069 918 HG22 THR 115 2HG2 THR 115 -30.019 5.383 -8.231 919 HG23 THR 115 3HG2 THR 115 -31.092 6.711 -7.790 920 H THR 116 H THR 116 -30.317 7.203 -3.883 921 HA THR 116 HA THR 116 -29.077 5.645 -1.720 922 HB THR 116 HB THR 116 -29.679 7.661 -0.297 923 HG1 THR 116 1HG THR 116 -30.036 8.863 -2.859 924 HG21 THR 116 1HG2 THR 116 -27.560 7.319 -2.229 925 HG22 THR 116 2HG2 THR 116 -27.490 7.974 -0.593 926 HG23 THR 116 3HG2 THR 116 -27.889 9.028 -1.949 927 HA PRO 117 HA PRO 117 -32.953 4.118 -0.326 928 HB2 PRO 117 1HB PRO 117 -32.502 3.962 2.347 929 HB3 PRO 117 2HB PRO 117 -31.768 2.853 1.183 930 HG2 PRO 117 1HG PRO 117 -30.594 5.276 2.491 931 HG3 PRO 117 2HG PRO 117 -29.856 3.689 2.209 932 HD2 PRO 117 1HD PRO 117 -29.355 5.832 0.630 933 HD3 PRO 117 2HD PRO 117 -29.367 4.169 0.008 934 H ASN 118 H ASN 118 -34.732 4.562 1.262 935 HA ASN 118 HA ASN 118 -35.475 7.296 1.140 936 HB2 ASN 118 1HB ASN 118 -37.490 6.611 2.328 937 HB3 ASN 118 2HB ASN 118 -37.112 5.444 1.065 938 HD21 ASN 118 1HD2 ASN 118 -36.877 3.371 1.598 939 HD22 ASN 118 2HD2 ASN 118 -36.855 2.757 3.213 940 H ILE 119 H ILE 119 -36.312 8.461 3.140 941 HA ILE 119 HA ILE 119 -34.519 8.037 5.433 942 HB ILE 119 HB ILE 119 -35.173 10.709 4.184 943 HG12 ILE 119 1HG1 ILE 119 -32.413 9.598 4.530 944 HG13 ILE 119 2HG1 ILE 119 -33.391 9.070 3.165 945 HG21 ILE 119 1HG2 ILE 119 -33.102 10.637 6.226 946 HG22 ILE 119 2HG2 ILE 119 -34.471 11.731 6.039 947 HG23 ILE 119 3HG2 ILE 119 -34.689 10.175 6.840 948 HD11 ILE 119 1HD1 ILE 119 -33.689 11.727 2.944 949 HD12 ILE 119 2HD1 ILE 119 -32.085 11.653 3.675 950 HD13 ILE 119 3HD1 ILE 119 -32.402 10.814 2.157 951 H ASP 120 H ASP 120 -35.809 7.489 7.063 952 HA ASP 120 HA ASP 120 -37.607 7.393 8.468 953 HB2 ASP 120 1HB ASP 120 -36.483 9.655 8.945 954 HB3 ASP 120 2HB ASP 120 -37.827 10.369 8.058 955 H SER 121 H SER 121 -38.298 6.822 5.828 956 HA SER 121 HA SER 121 -40.749 8.269 5.238 957 HB2 SER 121 1HB SER 121 -39.088 7.483 3.468 958 HB3 SER 121 2HB SER 121 -39.685 5.852 3.774 959 HG SER 121 HG SER 121 -41.365 6.304 2.610 960 H GLY 122 H GLY 122 -42.629 7.707 6.098 961 HA2 GLY 122 1HA GLY 122 -43.254 4.870 6.452 962 HA3 GLY 122 2HA GLY 122 -43.320 5.895 7.878 963 HA PRO 123 HA PRO 123 -47.338 5.964 5.310 964 HB2 PRO 123 1HB PRO 123 -48.844 4.323 6.863 965 HB3 PRO 123 2HB PRO 123 -47.888 3.740 5.496 966 HG2 PRO 123 1HG PRO 123 -47.241 3.690 8.418 967 HG3 PRO 123 2HG PRO 123 -47.005 2.425 7.198 968 HD2 PRO 123 1HD PRO 123 -44.990 4.021 8.051 969 HD3 PRO 123 2HD PRO 123 -45.070 3.385 6.395 970 H SER 124 H SER 124 -48.846 7.464 5.802 971 HA SER 124 HA SER 124 -48.710 8.704 8.428 972 HB2 SER 124 1HB SER 124 -49.893 9.492 5.782 973 HB3 SER 124 2HB SER 124 -50.382 10.328 7.255 974 HG SER 124 HG SER 124 -48.573 11.292 6.137 975 H SER 125 H SER 125 -51.344 7.656 6.260 976 HA SER 125 HA SER 125 -53.230 7.605 8.435 977 HB2 SER 125 1HB SER 125 -53.336 7.150 5.493 978 HB3 SER 125 2HB SER 125 -54.603 6.416 6.476 979 HG SER 125 HG SER 125 -54.486 8.894 5.654 980 H GLY 126 H GLY 126 -53.398 5.990 9.833 981 HA2 GLY 126 1HA GLY 126 -53.284 3.238 8.893 982 HA3 GLY 126 2HA GLY 126 -52.046 3.699 10.052 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 10.445 14.531 13.437 2 HA2 GLY 1 1HA GLY 1 8.182 15.238 13.600 3 HA3 GLY 1 2HA GLY 1 8.549 16.573 12.518 4 H SER 2 H SER 2 8.489 16.265 10.302 5 HA SER 2 HA SER 2 7.558 13.627 9.386 6 HB2 SER 2 1HB SER 2 5.940 14.690 7.912 7 HB3 SER 2 2HB SER 2 5.649 15.210 9.572 8 HG SER 2 HG SER 2 6.464 16.665 7.379 9 H SER 3 H SER 3 8.935 16.753 8.431 10 HA SER 3 HA SER 3 9.756 15.938 5.850 11 HB2 SER 3 1HB SER 3 9.555 18.288 6.320 12 HB3 SER 3 2HB SER 3 10.713 18.177 7.645 13 HG SER 3 HG SER 3 11.356 17.575 4.951 14 H GLY 4 H GLY 4 10.714 13.862 6.274 15 HA2 GLY 4 1HA GLY 4 13.096 13.661 7.866 16 HA3 GLY 4 2HA GLY 4 12.436 12.418 6.813 17 H SER 5 H SER 5 15.212 13.427 7.211 18 HA SER 5 HA SER 5 15.772 14.363 4.477 19 HB2 SER 5 1HB SER 5 17.997 15.049 5.409 20 HB3 SER 5 2HB SER 5 16.629 15.894 6.134 21 HG SER 5 HG SER 5 18.461 14.707 7.447 22 H SER 6 H SER 6 16.890 12.104 6.976 23 HA SER 6 HA SER 6 17.812 10.313 4.845 24 HB2 SER 6 1HB SER 6 19.689 11.727 5.996 25 HB3 SER 6 2HB SER 6 19.466 10.599 7.333 26 HG SER 6 HG SER 6 20.001 8.913 5.968 27 H GLY 7 H GLY 7 17.733 8.109 5.342 28 HA2 GLY 7 1HA GLY 7 17.336 6.247 6.741 29 HA3 GLY 7 2HA GLY 7 16.726 7.337 7.978 30 H ILE 8 H ILE 8 15.962 5.975 4.797 31 HA ILE 8 HA ILE 8 13.280 5.400 5.578 32 HB ILE 8 HB ILE 8 13.027 7.808 5.147 33 HG12 ILE 8 1HG1 ILE 8 11.711 6.348 2.870 34 HG13 ILE 8 2HG1 ILE 8 11.278 5.998 4.540 35 HG21 ILE 8 1HG2 ILE 8 13.303 7.673 2.262 36 HG22 ILE 8 2HG2 ILE 8 13.930 8.861 3.404 37 HG23 ILE 8 3HG2 ILE 8 14.827 7.374 3.098 38 HD11 ILE 8 1HD1 ILE 8 10.054 7.841 3.015 39 HD12 ILE 8 2HD1 ILE 8 10.132 7.912 4.775 40 HD13 ILE 8 3HD1 ILE 8 11.272 8.842 3.803 41 H LEU 9 H LEU 9 12.907 3.521 4.626 42 HA LEU 9 HA LEU 9 14.369 2.737 2.261 43 HB2 LEU 9 1HB LEU 9 12.587 1.397 4.224 44 HB3 LEU 9 2HB LEU 9 12.751 0.667 2.629 45 HG LEU 9 HG LEU 9 14.917 1.121 4.674 46 HD11 LEU 9 1HD1 LEU 9 13.301 -0.863 4.800 47 HD12 LEU 9 2HD1 LEU 9 15.030 -1.201 4.850 48 HD13 LEU 9 3HD1 LEU 9 14.126 -1.453 3.357 49 HD21 LEU 9 1HD2 LEU 9 16.302 1.377 2.941 50 HD22 LEU 9 2HD2 LEU 9 15.080 0.874 1.773 51 HD23 LEU 9 3HD2 LEU 9 16.029 -0.338 2.634 52 H PHE 10 H PHE 10 10.902 2.797 3.111 53 HA PHE 10 HA PHE 10 9.890 2.345 0.572 54 HB2 PHE 10 1HB PHE 10 8.779 2.730 3.011 55 HB3 PHE 10 2HB PHE 10 8.368 4.257 2.238 56 HD1 PHE 10 2HD PHE 10 8.589 0.827 0.815 57 HD2 PHE 10 1HD PHE 10 6.108 4.149 1.775 58 HE1 PHE 10 2HE PHE 10 6.698 -0.262 -0.321 59 HE2 PHE 10 1HE PHE 10 4.212 3.065 0.641 60 HZ PHE 10 HZ PHE 10 4.506 0.857 -0.409 61 H ILE 11 H ILE 11 11.213 3.510 -0.896 62 HA ILE 11 HA ILE 11 11.656 6.253 -0.907 63 HB ILE 11 HB ILE 11 12.669 4.469 -2.440 64 HG12 ILE 11 1HG1 ILE 11 12.775 6.219 -4.377 65 HG13 ILE 11 2HG1 ILE 11 11.855 7.235 -3.272 66 HG21 ILE 11 1HG2 ILE 11 11.617 4.050 -4.539 67 HG22 ILE 11 2HG2 ILE 11 10.445 3.687 -3.273 68 HG23 ILE 11 3HG2 ILE 11 10.323 5.193 -4.183 69 HD11 ILE 11 1HD1 ILE 11 14.389 7.481 -3.291 70 HD12 ILE 11 2HD1 ILE 11 13.597 7.319 -1.724 71 HD13 ILE 11 3HD1 ILE 11 14.422 5.936 -2.442 72 H GLU 12 H GLU 12 8.959 4.396 -2.252 73 HA GLU 12 HA GLU 12 7.497 6.932 -2.590 74 HB2 GLU 12 1HB GLU 12 8.198 5.649 -4.722 75 HB3 GLU 12 2HB GLU 12 6.953 4.495 -4.264 76 HG2 GLU 12 1HG GLU 12 6.389 7.425 -4.572 77 HG3 GLU 12 2HG GLU 12 6.304 6.294 -5.921 78 H LYS 13 H LYS 13 5.388 7.001 -1.906 79 HA LYS 13 HA LYS 13 4.300 4.565 -0.667 80 HB2 LYS 13 1HB LYS 13 3.283 6.389 0.992 81 HB3 LYS 13 2HB LYS 13 4.835 5.616 1.285 82 HG2 LYS 13 1HG LYS 13 5.945 7.548 0.198 83 HG3 LYS 13 2HG LYS 13 4.368 8.330 0.069 84 HD2 LYS 13 1HD LYS 13 5.956 7.680 2.529 85 HD3 LYS 13 2HD LYS 13 5.281 9.230 2.020 86 HE2 LYS 13 1HE LYS 13 2.996 8.096 2.284 87 HE3 LYS 13 2HE LYS 13 3.864 6.851 3.180 88 HZ1 LYS 13 1HZ LYS 13 4.386 9.598 3.974 89 HZ2 LYS 13 2HZ LYS 13 4.197 8.212 4.925 90 HZ3 LYS 13 3HZ LYS 13 2.836 9.013 4.318 91 HA PRO 14 HA PRO 14 0.649 5.488 -2.943 92 HB2 PRO 14 1HB PRO 14 -1.166 4.152 -1.430 93 HB3 PRO 14 2HB PRO 14 -0.005 3.335 -2.483 94 HG2 PRO 14 1HG PRO 14 0.113 3.790 0.473 95 HG3 PRO 14 2HG PRO 14 0.514 2.331 -0.451 96 HD2 PRO 14 1HD PRO 14 2.404 4.039 0.466 97 HD3 PRO 14 2HD PRO 14 2.595 3.126 -1.044 98 H GLN 15 H GLN 15 -0.320 7.411 -2.966 99 HA GLN 15 HA GLN 15 -1.009 8.737 -0.469 100 HB2 GLN 15 1HB GLN 15 -1.129 9.701 -3.331 101 HB3 GLN 15 2HB GLN 15 -1.498 10.687 -1.922 102 HG2 GLN 15 1HG GLN 15 1.144 9.567 -2.779 103 HG3 GLN 15 2HG GLN 15 0.690 11.250 -2.516 104 HE21 GLN 15 1HE2 GLN 15 1.965 8.419 -1.138 105 HE22 GLN 15 2HE2 GLN 15 2.140 9.000 0.479 106 H GLY 16 H GLY 16 -2.501 6.395 -1.793 107 HA2 GLY 16 1HA GLY 16 -4.679 5.736 -2.135 108 HA3 GLY 16 2HA GLY 16 -5.037 6.892 -0.860 109 H GLY 17 H GLY 17 -7.055 6.729 -2.401 110 HA2 GLY 17 1HA GLY 17 -7.275 9.251 -3.674 111 HA3 GLY 17 2HA GLY 17 -7.108 7.986 -4.881 112 H THR 18 H THR 18 -9.173 8.258 -5.709 113 HA THR 18 HA THR 18 -11.290 7.096 -4.059 114 HB THR 18 HB THR 18 -11.769 9.602 -5.676 115 HG1 THR 18 1HG THR 18 -11.922 10.588 -3.551 116 HG21 THR 18 1HG2 THR 18 -13.723 8.155 -5.375 117 HG22 THR 18 2HG2 THR 18 -13.895 9.653 -4.461 118 HG23 THR 18 3HG2 THR 18 -13.461 8.159 -3.631 119 H VAL 19 H VAL 19 -12.318 5.549 -5.139 120 HA VAL 19 HA VAL 19 -12.338 5.666 -8.085 121 HB VAL 19 HB VAL 19 -10.792 3.923 -7.257 122 HG11 VAL 19 1HG1 VAL 19 -11.888 1.871 -6.239 123 HG12 VAL 19 2HG1 VAL 19 -11.714 3.276 -5.186 124 HG13 VAL 19 3HG1 VAL 19 -13.279 2.903 -5.911 125 HG21 VAL 19 1HG2 VAL 19 -11.340 3.000 -9.205 126 HG22 VAL 19 2HG2 VAL 19 -12.528 2.022 -8.344 127 HG23 VAL 19 3HG2 VAL 19 -13.006 3.559 -9.064 128 H LYS 20 H LYS 20 -14.206 5.071 -9.128 129 HA LYS 20 HA LYS 20 -16.629 5.275 -7.625 130 HB2 LYS 20 1HB LYS 20 -16.181 6.083 -10.024 131 HB3 LYS 20 2HB LYS 20 -16.438 4.411 -10.503 132 HG2 LYS 20 1HG LYS 20 -18.487 5.558 -10.813 133 HG3 LYS 20 2HG LYS 20 -18.678 4.529 -9.392 134 HD2 LYS 20 1HD LYS 20 -19.634 6.611 -8.817 135 HD3 LYS 20 2HD LYS 20 -18.065 6.562 -8.008 136 HE2 LYS 20 1HE LYS 20 -18.096 8.691 -8.920 137 HE3 LYS 20 2HE LYS 20 -17.208 7.769 -10.132 138 HZ1 LYS 20 1HZ LYS 20 -18.695 8.423 -11.614 139 HZ2 LYS 20 2HZ LYS 20 -19.608 9.213 -10.429 140 HZ3 LYS 20 3HZ LYS 20 -19.903 7.584 -10.778 141 H VAL 21 H VAL 21 -18.321 3.716 -7.513 142 HA VAL 21 HA VAL 21 -17.483 1.137 -6.783 143 HB VAL 21 HB VAL 21 -20.240 2.174 -7.439 144 HG11 VAL 21 1HG1 VAL 21 -19.408 -0.508 -7.211 145 HG12 VAL 21 2HG1 VAL 21 -20.268 -0.111 -5.723 146 HG13 VAL 21 3HG1 VAL 21 -21.055 0.115 -7.285 147 HG21 VAL 21 1HG2 VAL 21 -19.525 3.293 -5.531 148 HG22 VAL 21 2HG2 VAL 21 -20.401 1.910 -4.874 149 HG23 VAL 21 3HG2 VAL 21 -18.638 1.895 -4.924 150 H GLY 22 H GLY 22 -16.842 -0.472 -8.048 151 HA2 GLY 22 1HA GLY 22 -17.293 -2.129 -9.696 152 HA3 GLY 22 2HA GLY 22 -18.286 -0.961 -10.556 153 H GLU 23 H GLU 23 -15.794 0.880 -9.838 154 HA GLU 23 HA GLU 23 -14.585 0.542 -12.438 155 HB2 GLU 23 1HB GLU 23 -14.495 2.584 -10.280 156 HB3 GLU 23 2HB GLU 23 -13.105 2.488 -11.352 157 HG2 GLU 23 1HG GLU 23 -14.591 2.781 -13.282 158 HG3 GLU 23 2HG GLU 23 -15.964 2.926 -12.185 159 H ASP 24 H ASP 24 -12.029 1.048 -12.316 160 HA ASP 24 HA ASP 24 -10.853 -0.881 -10.428 161 HB2 ASP 24 1HB ASP 24 -9.580 -1.917 -12.100 162 HB3 ASP 24 2HB ASP 24 -11.157 -1.706 -12.855 163 H ILE 25 H ILE 25 -9.215 -0.086 -9.288 164 HA ILE 25 HA ILE 25 -7.734 2.219 -10.369 165 HB ILE 25 HB ILE 25 -9.193 3.074 -8.654 166 HG12 ILE 25 1HG1 ILE 25 -6.494 2.802 -7.341 167 HG13 ILE 25 2HG1 ILE 25 -6.727 3.773 -8.791 168 HG21 ILE 25 1HG2 ILE 25 -7.961 1.185 -6.669 169 HG22 ILE 25 2HG2 ILE 25 -9.383 2.210 -6.474 170 HG23 ILE 25 3HG2 ILE 25 -9.448 0.805 -7.538 171 HD11 ILE 25 1HD1 ILE 25 -7.281 5.465 -7.485 172 HD12 ILE 25 2HD1 ILE 25 -8.726 4.573 -7.007 173 HD13 ILE 25 3HD1 ILE 25 -7.247 4.432 -6.056 174 H THR 26 H THR 26 -5.550 2.422 -9.689 175 HA THR 26 HA THR 26 -4.394 0.027 -8.433 176 HB THR 26 HB THR 26 -3.063 1.412 -10.756 177 HG1 THR 26 1HG THR 26 -4.781 0.538 -11.760 178 HG21 THR 26 1HG2 THR 26 -2.677 -1.283 -9.447 179 HG22 THR 26 2HG2 THR 26 -1.591 0.103 -9.340 180 HG23 THR 26 3HG2 THR 26 -1.819 -0.723 -10.882 181 H PHE 27 H PHE 27 -2.822 0.406 -6.969 182 HA PHE 27 HA PHE 27 -2.061 3.211 -6.535 183 HB2 PHE 27 1HB PHE 27 -1.890 0.901 -4.590 184 HB3 PHE 27 2HB PHE 27 -1.616 2.602 -4.228 185 HD1 PHE 27 1HD PHE 27 -4.181 0.132 -5.206 186 HD2 PHE 27 2HD PHE 27 -3.406 4.045 -3.721 187 HE1 PHE 27 1HE PHE 27 -6.565 0.391 -4.654 188 HE2 PHE 27 2HE PHE 27 -5.788 4.310 -3.166 189 HZ PHE 27 HZ PHE 27 -7.371 2.482 -3.631 190 H ILE 28 H ILE 28 0.119 3.706 -5.930 191 HA ILE 28 HA ILE 28 2.064 1.779 -7.018 192 HB ILE 28 HB ILE 28 2.180 4.794 -6.948 193 HG12 ILE 28 1HG1 ILE 28 0.783 3.865 -8.735 194 HG13 ILE 28 2HG1 ILE 28 2.248 4.581 -9.398 195 HG21 ILE 28 1HG2 ILE 28 4.337 4.481 -8.190 196 HG22 ILE 28 2HG2 ILE 28 4.382 4.025 -6.487 197 HG23 ILE 28 3HG2 ILE 28 4.275 2.779 -7.731 198 HD11 ILE 28 1HD1 ILE 28 3.225 2.280 -9.469 199 HD12 ILE 28 2HD1 ILE 28 1.627 1.665 -9.044 200 HD13 ILE 28 3HD1 ILE 28 1.860 2.552 -10.550 201 H ALA 29 H ALA 29 3.785 1.181 -5.814 202 HA ALA 29 HA ALA 29 4.601 2.673 -3.484 203 HB1 ALA 29 1HB ALA 29 2.698 0.575 -3.194 204 HB2 ALA 29 2HB ALA 29 4.218 0.065 -2.459 205 HB3 ALA 29 3HB ALA 29 3.451 1.567 -1.945 206 H LYS 30 H LYS 30 6.731 2.681 -3.742 207 HA LYS 30 HA LYS 30 8.056 0.192 -4.599 208 HB2 LYS 30 1HB LYS 30 8.724 3.081 -5.113 209 HB3 LYS 30 2HB LYS 30 9.939 1.819 -5.272 210 HG2 LYS 30 1HG LYS 30 8.896 0.860 -7.098 211 HG3 LYS 30 2HG LYS 30 7.331 1.579 -6.710 212 HD2 LYS 30 1HD LYS 30 9.591 3.409 -7.327 213 HD3 LYS 30 2HD LYS 30 8.864 2.514 -8.664 214 HE2 LYS 30 1HE LYS 30 6.621 3.357 -7.724 215 HE3 LYS 30 2HE LYS 30 7.597 4.515 -6.822 216 HZ1 LYS 30 1HZ LYS 30 6.970 4.430 -9.644 217 HZ2 LYS 30 2HZ LYS 30 8.588 4.779 -9.296 218 HZ3 LYS 30 3HZ LYS 30 7.358 5.750 -8.659 219 H VAL 31 H VAL 31 10.400 0.088 -3.839 220 HA VAL 31 HA VAL 31 10.848 1.327 -1.237 221 HB VAL 31 HB VAL 31 9.638 -0.866 -0.870 222 HG11 VAL 31 1HG1 VAL 31 11.250 -1.870 -2.765 223 HG12 VAL 31 2HG1 VAL 31 12.161 -2.332 -1.326 224 HG13 VAL 31 3HG1 VAL 31 10.488 -2.858 -1.519 225 HG21 VAL 31 1HG2 VAL 31 10.650 -1.021 1.129 226 HG22 VAL 31 2HG2 VAL 31 12.244 -1.270 0.417 227 HG23 VAL 31 3HG2 VAL 31 11.593 0.361 0.570 228 H LYS 32 H LYS 32 12.966 1.670 -0.791 229 HA LYS 32 HA LYS 32 14.857 1.286 -2.912 230 HB2 LYS 32 1HB LYS 32 14.719 3.273 -1.302 231 HB3 LYS 32 2HB LYS 32 15.499 2.228 -0.123 232 HG2 LYS 32 1HG LYS 32 17.276 3.385 -1.026 233 HG3 LYS 32 2HG LYS 32 17.286 1.887 -1.959 234 HD2 LYS 32 1HD LYS 32 15.687 3.311 -3.532 235 HD3 LYS 32 2HD LYS 32 16.570 4.648 -2.791 236 HE2 LYS 32 1HE LYS 32 18.065 2.307 -3.892 237 HE3 LYS 32 2HE LYS 32 17.453 3.546 -4.987 238 HZ1 LYS 32 1HZ LYS 32 18.802 4.663 -2.728 239 HZ2 LYS 32 2HZ LYS 32 19.053 4.941 -4.377 240 HZ3 LYS 32 3HZ LYS 32 19.808 3.633 -3.616 241 H ALA 33 H ALA 33 15.865 -0.573 -3.257 242 HA ALA 33 HA ALA 33 16.482 -2.302 -0.957 243 HB1 ALA 33 1HB ALA 33 15.803 -4.034 -2.169 244 HB2 ALA 33 2HB ALA 33 15.240 -2.886 -3.385 245 HB3 ALA 33 3HB ALA 33 16.856 -3.582 -3.510 246 H GLU 34 H GLU 34 18.499 -3.656 -1.264 247 HA GLU 34 HA GLU 34 20.615 -2.160 -2.647 248 HB2 GLU 34 1HB GLU 34 20.941 -3.308 0.126 249 HB3 GLU 34 2HB GLU 34 22.088 -2.313 -0.760 250 HG2 GLU 34 1HG GLU 34 20.621 -0.407 -0.603 251 HG3 GLU 34 2HG GLU 34 19.381 -1.390 0.175 252 H ASP 35 H ASP 35 19.694 -5.175 -1.031 253 HA ASP 35 HA ASP 35 21.740 -6.618 -2.548 254 HB2 ASP 35 1HB ASP 35 21.612 -8.311 -0.974 255 HB3 ASP 35 2HB ASP 35 21.241 -6.898 0.010 256 H LEU 36 H LEU 36 21.186 -8.571 -3.692 257 HA LEU 36 HA LEU 36 18.536 -8.379 -4.934 258 HB2 LEU 36 1HB LEU 36 20.886 -9.984 -5.905 259 HB3 LEU 36 2HB LEU 36 19.441 -9.529 -6.805 260 HG LEU 36 HG LEU 36 21.674 -7.699 -5.931 261 HD11 LEU 36 1HD1 LEU 36 21.858 -9.338 -7.958 262 HD12 LEU 36 2HD1 LEU 36 22.383 -7.663 -8.114 263 HD13 LEU 36 3HD1 LEU 36 20.814 -8.156 -8.748 264 HD21 LEU 36 1HD2 LEU 36 18.959 -7.089 -6.387 265 HD22 LEU 36 2HD2 LEU 36 19.858 -6.524 -7.795 266 HD23 LEU 36 3HD2 LEU 36 20.308 -5.971 -6.182 267 H LEU 37 H LEU 37 20.801 -10.778 -3.614 268 HA LEU 37 HA LEU 37 19.432 -13.101 -3.891 269 HB2 LEU 37 1HB LEU 37 20.889 -12.146 -1.432 270 HB3 LEU 37 2HB LEU 37 20.411 -13.817 -1.725 271 HG LEU 37 HG LEU 37 22.314 -12.268 -3.479 272 HD11 LEU 37 1HD1 LEU 37 22.828 -14.139 -1.181 273 HD12 LEU 37 2HD1 LEU 37 23.390 -12.480 -1.380 274 HD13 LEU 37 3HD1 LEU 37 24.036 -13.758 -2.409 275 HD21 LEU 37 1HD2 LEU 37 22.521 -15.141 -3.511 276 HD22 LEU 37 2HD2 LEU 37 22.268 -14.018 -4.847 277 HD23 LEU 37 3HD2 LEU 37 20.888 -14.623 -3.930 278 H ARG 38 H ARG 38 18.897 -10.697 -1.330 279 HA ARG 38 HA ARG 38 16.562 -12.158 -0.390 280 HB2 ARG 38 1HB ARG 38 17.672 -9.532 0.610 281 HB3 ARG 38 2HB ARG 38 16.501 -10.562 1.423 282 HG2 ARG 38 1HG ARG 38 19.158 -11.709 0.747 283 HG3 ARG 38 2HG ARG 38 19.043 -10.572 2.092 284 HD2 ARG 38 1HD ARG 38 17.817 -11.998 3.372 285 HD3 ARG 38 2HD ARG 38 17.031 -12.742 1.980 286 HE ARG 38 HE ARG 38 19.745 -13.443 1.966 287 HH11 ARG 38 2HH1 ARG 38 16.849 -14.017 3.810 288 HH12 ARG 38 1HH1 ARG 38 17.346 -15.588 4.347 289 HH21 ARG 38 2HH2 ARG 38 20.411 -15.510 2.666 290 HH22 ARG 38 1HH2 ARG 38 19.372 -16.435 3.696 291 H LYS 39 H LYS 39 14.474 -11.189 -0.225 292 HA LYS 39 HA LYS 39 13.993 -8.829 -1.885 293 HB2 LYS 39 1HB LYS 39 13.625 -10.537 -3.483 294 HB3 LYS 39 2HB LYS 39 12.785 -11.554 -2.319 295 HG2 LYS 39 1HG LYS 39 10.832 -10.338 -2.462 296 HG3 LYS 39 2HG LYS 39 11.655 -8.888 -3.043 297 HD2 LYS 39 1HD LYS 39 10.628 -9.644 -4.967 298 HD3 LYS 39 2HD LYS 39 12.225 -10.383 -5.106 299 HE2 LYS 39 1HE LYS 39 11.145 -12.389 -3.887 300 HE3 LYS 39 2HE LYS 39 9.614 -11.648 -4.354 301 HZ1 LYS 39 1HZ LYS 39 10.904 -13.378 -5.882 302 HZ2 LYS 39 2HZ LYS 39 11.604 -11.950 -6.456 303 HZ3 LYS 39 3HZ LYS 39 9.926 -12.153 -6.517 304 HA PRO 40 HA PRO 40 11.450 -8.005 1.670 305 HB2 PRO 40 1HB PRO 40 10.497 -5.618 0.795 306 HB3 PRO 40 2HB PRO 40 12.126 -5.820 1.451 307 HG2 PRO 40 1HG PRO 40 11.236 -5.694 -1.404 308 HG3 PRO 40 2HG PRO 40 12.636 -4.926 -0.634 309 HD2 PRO 40 1HD PRO 40 12.841 -7.195 -2.099 310 HD3 PRO 40 2HD PRO 40 13.895 -6.856 -0.711 311 H THR 41 H THR 41 9.280 -8.107 2.190 312 HA THR 41 HA THR 41 7.455 -8.670 -0.056 313 HB THR 41 HB THR 41 7.239 -9.711 2.775 314 HG1 THR 41 1HG THR 41 8.571 -11.207 2.119 315 HG21 THR 41 1HG2 THR 41 5.268 -10.645 2.212 316 HG22 THR 41 2HG2 THR 41 5.814 -11.050 0.584 317 HG23 THR 41 3HG2 THR 41 5.243 -9.421 0.943 318 H ILE 42 H ILE 42 5.497 -7.666 -0.141 319 HA ILE 42 HA ILE 42 5.023 -5.573 1.873 320 HB ILE 42 HB ILE 42 5.366 -4.682 -0.364 321 HG12 ILE 42 1HG1 ILE 42 2.414 -4.417 0.006 322 HG13 ILE 42 2HG1 ILE 42 3.472 -3.895 1.313 323 HG21 ILE 42 1HG2 ILE 42 2.959 -5.582 -1.639 324 HG22 ILE 42 2HG2 ILE 42 4.627 -5.691 -2.198 325 HG23 ILE 42 3HG2 ILE 42 3.954 -6.962 -1.177 326 HD11 ILE 42 1HD1 ILE 42 3.874 -1.993 0.268 327 HD12 ILE 42 2HD1 ILE 42 4.437 -2.855 -1.165 328 HD13 ILE 42 3HD1 ILE 42 2.725 -2.472 -0.981 329 H LYS 43 H LYS 43 2.887 -5.178 2.595 330 HA LYS 43 HA LYS 43 0.871 -7.201 1.973 331 HB2 LYS 43 1HB LYS 43 2.281 -7.828 4.042 332 HB3 LYS 43 2HB LYS 43 1.447 -6.502 4.842 333 HG2 LYS 43 1HG LYS 43 0.082 -8.217 5.433 334 HG3 LYS 43 2HG LYS 43 -0.686 -7.752 3.913 335 HD2 LYS 43 1HD LYS 43 -0.495 -10.091 3.803 336 HD3 LYS 43 2HD LYS 43 0.833 -9.483 2.812 337 HE2 LYS 43 1HE LYS 43 2.260 -9.681 4.923 338 HE3 LYS 43 2HE LYS 43 0.938 -10.644 5.582 339 HZ1 LYS 43 1HZ LYS 43 2.991 -11.463 3.865 340 HZ2 LYS 43 2HZ LYS 43 1.531 -11.607 3.025 341 HZ3 LYS 43 3HZ LYS 43 1.732 -12.392 4.510 342 H TRP 44 H TRP 44 -0.901 -6.135 1.422 343 HA TRP 44 HA TRP 44 -1.327 -3.419 2.371 344 HB2 TRP 44 1HB TRP 44 -2.975 -5.046 0.424 345 HB3 TRP 44 2HB TRP 44 -3.101 -3.312 0.710 346 HD1 TRP 44 HD TRP 44 -0.560 -5.874 -0.696 347 HE1 TRP 44 1HE TRP 44 0.892 -4.672 -2.449 348 HE3 TRP 44 3HE TRP 44 -2.388 -1.131 -0.151 349 HZ2 TRP 44 2HZ TRP 44 1.220 -2.059 -3.465 350 HZ3 TRP 44 3HZ TRP 44 -1.450 0.663 -1.551 351 HH2 TRP 44 HH TRP 44 0.317 0.206 -3.172 352 H PHE 45 H PHE 45 -2.848 -2.797 3.798 353 HA PHE 45 HA PHE 45 -4.740 -4.837 4.763 354 HB2 PHE 45 1HB PHE 45 -3.035 -2.927 6.350 355 HB3 PHE 45 2HB PHE 45 -4.495 -3.643 7.025 356 HD1 PHE 45 1HD PHE 45 -4.622 -6.051 7.437 357 HD2 PHE 45 2HD PHE 45 -1.048 -4.215 6.032 358 HE1 PHE 45 1HE PHE 45 -3.345 -8.056 8.073 359 HE2 PHE 45 2HE PHE 45 0.234 -6.217 6.664 360 HZ PHE 45 HZ PHE 45 -0.915 -8.141 7.686 361 H LYS 46 H LYS 46 -6.529 -3.751 6.117 362 HA LYS 46 HA LYS 46 -7.215 -1.051 5.441 363 HB2 LYS 46 1HB LYS 46 -7.772 -2.440 3.365 364 HB3 LYS 46 2HB LYS 46 -9.040 -3.179 4.334 365 HG2 LYS 46 1HG LYS 46 -8.927 -0.214 4.197 366 HG3 LYS 46 2HG LYS 46 -9.510 -1.102 2.787 367 HD2 LYS 46 1HD LYS 46 -11.282 -2.073 4.012 368 HD3 LYS 46 2HD LYS 46 -10.581 -1.587 5.557 369 HE2 LYS 46 1HE LYS 46 -10.878 0.813 4.726 370 HE3 LYS 46 2HE LYS 46 -11.917 0.124 3.479 371 HZ1 LYS 46 1HZ LYS 46 -12.337 -0.322 6.381 372 HZ2 LYS 46 2HZ LYS 46 -13.396 -0.701 5.118 373 HZ3 LYS 46 3HZ LYS 46 -13.094 0.917 5.511 374 H GLY 47 H GLY 47 -8.900 -0.245 6.691 375 HA2 GLY 47 1HA GLY 47 -10.425 -0.172 8.413 376 HA3 GLY 47 2HA GLY 47 -10.669 -1.898 8.186 377 H LYS 48 H LYS 48 -10.495 -2.789 10.140 378 HA LYS 48 HA LYS 48 -8.300 -1.927 11.892 379 HB2 LYS 48 1HB LYS 48 -10.861 -2.070 12.560 380 HB3 LYS 48 2HB LYS 48 -10.460 -3.761 12.830 381 HG2 LYS 48 1HG LYS 48 -9.035 -1.432 14.100 382 HG3 LYS 48 2HG LYS 48 -10.304 -2.388 14.869 383 HD2 LYS 48 1HD LYS 48 -8.939 -4.372 14.759 384 HD3 LYS 48 2HD LYS 48 -7.704 -3.517 13.833 385 HE2 LYS 48 1HE LYS 48 -8.550 -2.715 16.609 386 HE3 LYS 48 2HE LYS 48 -7.216 -3.820 16.286 387 HZ1 LYS 48 1HZ LYS 48 -6.862 -1.559 14.689 388 HZ2 LYS 48 2HZ LYS 48 -5.909 -2.077 15.986 389 HZ3 LYS 48 3HZ LYS 48 -7.199 -1.016 16.256 390 H TRP 49 H TRP 49 -9.992 -4.923 10.949 391 HA TRP 49 HA TRP 49 -7.458 -6.367 11.359 392 HB2 TRP 49 1HB TRP 49 -10.206 -7.613 11.292 393 HB3 TRP 49 2HB TRP 49 -8.705 -8.330 11.872 394 HD1 TRP 49 HD TRP 49 -11.383 -5.773 12.894 395 HE1 TRP 49 1HE TRP 49 -11.238 -5.416 15.439 396 HE3 TRP 49 3HE TRP 49 -7.160 -8.489 13.855 397 HZ2 TRP 49 2HZ TRP 49 -9.556 -6.184 17.571 398 HZ3 TRP 49 3HZ TRP 49 -6.349 -8.627 16.173 399 HH2 TRP 49 HH TRP 49 -7.523 -7.498 17.992 400 H MET 50 H MET 50 -10.100 -5.748 9.155 401 HA MET 50 HA MET 50 -9.878 -7.655 7.241 402 HB2 MET 50 1HB MET 50 -11.220 -5.370 7.343 403 HB3 MET 50 2HB MET 50 -9.924 -4.830 6.285 404 HG2 MET 50 1HG MET 50 -10.466 -6.871 4.859 405 HG3 MET 50 2HG MET 50 -11.946 -6.988 5.808 406 HE1 MET 50 1HE MET 50 -10.693 -3.789 2.837 407 HE2 MET 50 2HE MET 50 -9.708 -5.026 3.617 408 HE3 MET 50 3HE MET 50 -10.823 -5.472 2.324 409 H ASP 51 H ASP 51 -8.222 -8.503 6.182 410 HA ASP 51 HA ASP 51 -5.883 -6.800 5.627 411 HB2 ASP 51 1HB ASP 51 -5.283 -8.595 7.116 412 HB3 ASP 51 2HB ASP 51 -6.067 -9.783 6.078 413 H LEU 52 H LEU 52 -6.191 -6.056 3.603 414 HA LEU 52 HA LEU 52 -7.557 -7.215 1.519 415 HB2 LEU 52 1HB LEU 52 -5.036 -5.607 1.179 416 HB3 LEU 52 2HB LEU 52 -6.379 -5.750 0.047 417 HG LEU 52 HG LEU 52 -6.516 -4.389 2.737 418 HD11 LEU 52 1HD1 LEU 52 -5.685 -2.573 1.780 419 HD12 LEU 52 2HD1 LEU 52 -6.930 -2.639 0.533 420 HD13 LEU 52 3HD1 LEU 52 -5.402 -3.488 0.299 421 HD21 LEU 52 1HD2 LEU 52 -8.701 -3.803 2.236 422 HD22 LEU 52 2HD2 LEU 52 -8.608 -5.467 1.660 423 HD23 LEU 52 3HD2 LEU 52 -8.504 -4.129 0.514 424 H ALA 53 H ALA 53 -4.201 -7.726 2.480 425 HA ALA 53 HA ALA 53 -3.125 -9.079 0.390 426 HB1 ALA 53 1HB ALA 53 -2.733 -10.348 3.041 427 HB2 ALA 53 2HB ALA 53 -1.547 -9.853 1.833 428 HB3 ALA 53 3HB ALA 53 -2.298 -8.646 2.877 429 H SER 54 H SER 54 -5.207 -10.515 2.895 430 HA SER 54 HA SER 54 -5.269 -13.066 1.564 431 HB2 SER 54 1HB SER 54 -6.325 -13.858 3.442 432 HB3 SER 54 2HB SER 54 -5.578 -12.418 4.135 433 HG SER 54 HG SER 54 -7.498 -11.677 4.509 434 H LYS 55 H LYS 55 -7.059 -10.146 1.418 435 HA LYS 55 HA LYS 55 -9.513 -11.251 0.453 436 HB2 LYS 55 1HB LYS 55 -8.426 -8.440 0.209 437 HB3 LYS 55 2HB LYS 55 -10.085 -8.928 -0.111 438 HG2 LYS 55 1HG LYS 55 -8.747 -9.260 2.561 439 HG3 LYS 55 2HG LYS 55 -9.695 -7.841 2.108 440 HD2 LYS 55 1HD LYS 55 -11.587 -9.444 1.585 441 HD3 LYS 55 2HD LYS 55 -10.628 -10.690 2.387 442 HE2 LYS 55 1HE LYS 55 -10.513 -8.887 4.304 443 HE3 LYS 55 2HE LYS 55 -11.981 -8.293 3.529 444 HZ1 LYS 55 1HZ LYS 55 -12.535 -9.845 5.263 445 HZ2 LYS 55 2HZ LYS 55 -11.538 -11.032 4.587 446 HZ3 LYS 55 3HZ LYS 55 -12.928 -10.528 3.766 447 H ALA 56 H ALA 56 -6.507 -10.251 -0.988 448 HA ALA 56 HA ALA 56 -7.268 -9.837 -3.626 449 HB1 ALA 56 1HB ALA 56 -4.809 -11.127 -3.784 450 HB2 ALA 56 2HB ALA 56 -5.090 -9.390 -3.653 451 HB3 ALA 56 3HB ALA 56 -4.809 -10.350 -2.200 452 H GLY 57 H GLY 57 -8.258 -11.117 -5.035 453 HA2 GLY 57 1HA GLY 57 -7.468 -13.858 -5.393 454 HA3 GLY 57 2HA GLY 57 -9.064 -13.699 -4.674 455 H LYS 58 H LYS 58 -10.527 -12.100 -5.886 456 HA LYS 58 HA LYS 58 -10.143 -12.457 -8.786 457 HB2 LYS 58 1HB LYS 58 -11.997 -13.816 -7.459 458 HB3 LYS 58 2HB LYS 58 -12.893 -12.313 -7.638 459 HG2 LYS 58 1HG LYS 58 -12.149 -12.570 -10.154 460 HG3 LYS 58 2HG LYS 58 -12.036 -14.272 -9.698 461 HD2 LYS 58 1HD LYS 58 -14.479 -12.635 -9.088 462 HD3 LYS 58 2HD LYS 58 -14.264 -13.431 -10.649 463 HE2 LYS 58 1HE LYS 58 -13.900 -15.574 -9.381 464 HE3 LYS 58 2HE LYS 58 -14.402 -14.714 -7.927 465 HZ1 LYS 58 1HZ LYS 58 -15.998 -15.796 -10.032 466 HZ2 LYS 58 2HZ LYS 58 -16.359 -14.167 -9.753 467 HZ3 LYS 58 3HZ LYS 58 -16.460 -15.285 -8.487 468 H HIS 59 H HIS 59 -12.278 -10.656 -6.562 469 HA HIS 59 HA HIS 59 -12.637 -8.470 -8.304 470 HB2 HIS 59 1HB HIS 59 -13.014 -8.759 -5.323 471 HB3 HIS 59 2HB HIS 59 -13.422 -7.286 -6.197 472 HD1 HIS 59 1HD HIS 59 -14.932 -8.205 -8.569 473 HD2 HIS 59 2HD HIS 59 -15.332 -10.056 -4.871 474 HE1 HIS 59 1HE HIS 59 -17.163 -9.365 -8.636 475 HE2 HIS 59 2HE HIS 59 -17.420 -10.406 -6.357 476 H LEU 60 H LEU 60 -10.184 -9.231 -5.954 477 HA LEU 60 HA LEU 60 -8.875 -6.657 -6.543 478 HB2 LEU 60 1HB LEU 60 -9.467 -6.589 -4.263 479 HB3 LEU 60 2HB LEU 60 -8.966 -8.258 -4.004 480 HG LEU 60 HG LEU 60 -6.596 -7.254 -4.647 481 HD11 LEU 60 1HD1 LEU 60 -8.277 -4.926 -4.253 482 HD12 LEU 60 2HD1 LEU 60 -6.638 -5.043 -4.892 483 HD13 LEU 60 3HD1 LEU 60 -6.900 -4.951 -3.150 484 HD21 LEU 60 1HD2 LEU 60 -6.143 -7.776 -2.530 485 HD22 LEU 60 2HD2 LEU 60 -7.870 -8.075 -2.331 486 HD23 LEU 60 3HD2 LEU 60 -7.192 -6.501 -1.911 487 H GLN 61 H GLN 61 -6.663 -6.668 -6.931 488 HA GLN 61 HA GLN 61 -5.233 -9.200 -6.895 489 HB2 GLN 61 1HB GLN 61 -5.670 -7.608 -9.426 490 HB3 GLN 61 2HB GLN 61 -4.503 -8.914 -9.263 491 HG2 GLN 61 1HG GLN 61 -7.388 -9.384 -8.648 492 HG3 GLN 61 2HG GLN 61 -6.813 -9.388 -10.315 493 HE21 GLN 61 1HE2 GLN 61 -7.101 -11.144 -7.430 494 HE22 GLN 61 2HE2 GLN 61 -6.224 -12.551 -7.916 495 H LEU 62 H LEU 62 -3.254 -8.864 -6.139 496 HA LEU 62 HA LEU 62 -2.205 -6.140 -6.082 497 HB2 LEU 62 1HB LEU 62 -1.016 -8.563 -4.761 498 HB3 LEU 62 2HB LEU 62 -0.734 -6.867 -4.376 499 HG LEU 62 HG LEU 62 -3.330 -8.335 -3.916 500 HD11 LEU 62 1HD1 LEU 62 -1.326 -9.046 -2.522 501 HD12 LEU 62 2HD1 LEU 62 -2.759 -8.509 -1.647 502 HD13 LEU 62 3HD1 LEU 62 -1.377 -7.428 -1.823 503 HD21 LEU 62 1HD2 LEU 62 -4.116 -6.403 -2.866 504 HD22 LEU 62 2HD2 LEU 62 -3.326 -5.804 -4.325 505 HD23 LEU 62 3HD2 LEU 62 -2.506 -5.689 -2.766 506 H LYS 63 H LYS 63 0.131 -5.819 -6.477 507 HA LYS 63 HA LYS 63 1.285 -7.709 -8.397 508 HB2 LYS 63 1HB LYS 63 0.027 -5.493 -9.308 509 HB3 LYS 63 2HB LYS 63 1.643 -4.846 -9.053 510 HG2 LYS 63 1HG LYS 63 1.890 -5.549 -11.187 511 HG3 LYS 63 2HG LYS 63 2.312 -7.055 -10.368 512 HD2 LYS 63 1HD LYS 63 0.151 -7.964 -10.741 513 HD3 LYS 63 2HD LYS 63 -0.490 -6.402 -11.256 514 HE2 LYS 63 1HE LYS 63 -0.155 -7.709 -13.216 515 HE3 LYS 63 2HE LYS 63 1.114 -6.486 -13.181 516 HZ1 LYS 63 1HZ LYS 63 1.902 -8.888 -11.854 517 HZ2 LYS 63 2HZ LYS 63 2.674 -8.046 -13.101 518 HZ3 LYS 63 3HZ LYS 63 1.472 -9.179 -13.464 519 H GLU 64 H GLU 64 3.526 -7.750 -8.461 520 HA GLU 64 HA GLU 64 5.049 -5.848 -6.890 521 HB2 GLU 64 1HB GLU 64 4.660 -7.230 -5.072 522 HB3 GLU 64 2HB GLU 64 4.603 -8.685 -6.057 523 HG2 GLU 64 1HG GLU 64 7.178 -7.222 -5.875 524 HG3 GLU 64 2HG GLU 64 6.641 -8.148 -4.475 525 H THR 65 H THR 65 6.897 -5.438 -7.900 526 HA THR 65 HA THR 65 8.174 -7.551 -9.485 527 HB THR 65 HB THR 65 6.821 -6.140 -11.026 528 HG1 THR 65 1HG THR 65 8.367 -6.521 -12.414 529 HG21 THR 65 1HG2 THR 65 6.736 -3.966 -10.393 530 HG22 THR 65 2HG2 THR 65 8.177 -3.839 -11.403 531 HG23 THR 65 3HG2 THR 65 8.336 -4.009 -9.655 532 H PHE 66 H PHE 66 10.420 -6.911 -10.157 533 HA PHE 66 HA PHE 66 11.656 -5.113 -8.182 534 HB2 PHE 66 1HB PHE 66 12.151 -7.295 -7.378 535 HB3 PHE 66 2HB PHE 66 12.524 -7.884 -8.994 536 HD1 PHE 66 1HD PHE 66 13.663 -5.224 -6.637 537 HD2 PHE 66 2HD PHE 66 14.734 -8.161 -9.525 538 HE1 PHE 66 1HE PHE 66 16.042 -4.717 -6.265 539 HE2 PHE 66 2HE PHE 66 17.115 -7.660 -9.157 540 HZ PHE 66 HZ PHE 66 17.771 -5.936 -7.525 541 H GLU 67 H GLU 67 13.403 -3.907 -8.873 542 HA GLU 67 HA GLU 67 14.085 -4.126 -11.731 543 HB2 GLU 67 1HB GLU 67 13.602 -1.615 -10.121 544 HB3 GLU 67 2HB GLU 67 14.315 -1.629 -11.728 545 HG2 GLU 67 1HG GLU 67 12.166 -1.235 -12.306 546 HG3 GLU 67 2HG GLU 67 12.117 -2.996 -12.285 547 H ARG 68 H ARG 68 16.027 -5.151 -11.457 548 HA ARG 68 HA ARG 68 17.933 -4.528 -9.481 549 HB2 ARG 68 1HB ARG 68 19.507 -5.633 -11.296 550 HB3 ARG 68 2HB ARG 68 18.343 -6.592 -10.392 551 HG2 ARG 68 1HG ARG 68 17.429 -5.403 -12.945 552 HG3 ARG 68 2HG ARG 68 18.577 -6.741 -13.029 553 HD2 ARG 68 1HD ARG 68 16.235 -7.019 -11.223 554 HD3 ARG 68 2HD ARG 68 15.956 -7.135 -12.960 555 HE ARG 68 HE ARG 68 17.257 -9.064 -11.286 556 HH11 ARG 68 2HH1 ARG 68 17.017 -7.810 -14.525 557 HH12 ARG 68 1HH1 ARG 68 17.559 -9.276 -15.272 558 HH21 ARG 68 2HH2 ARG 68 17.972 -11.000 -12.258 559 HH22 ARG 68 1HH2 ARG 68 18.101 -11.090 -13.982 560 H HIS 69 H HIS 69 17.246 -3.145 -12.599 561 HA HIS 69 HA HIS 69 19.613 -1.886 -13.241 562 HB2 HIS 69 1HB HIS 69 17.004 -0.436 -13.554 563 HB3 HIS 69 2HB HIS 69 18.376 -0.500 -14.657 564 HD1 HIS 69 1HD HIS 69 15.349 -2.440 -13.599 565 HD2 HIS 69 2HD HIS 69 18.383 -2.649 -16.429 566 HE1 HIS 69 1HE HIS 69 14.640 -4.234 -15.212 567 HE2 HIS 69 2HE HIS 69 16.531 -4.402 -16.867 568 H SER 70 H SER 70 17.169 -0.922 -10.896 569 HA SER 70 HA SER 70 19.000 1.192 -9.967 570 HB2 SER 70 1HB SER 70 15.975 1.247 -9.843 571 HB3 SER 70 2HB SER 70 17.066 2.521 -9.299 572 HG SER 70 HG SER 70 16.163 1.963 -11.804 573 H ARG 71 H ARG 71 17.798 -1.752 -9.253 574 HA ARG 71 HA ARG 71 17.640 -3.013 -7.367 575 HB2 ARG 71 1HB ARG 71 19.377 -0.749 -6.425 576 HB3 ARG 71 2HB ARG 71 18.880 -2.024 -5.320 577 HG2 ARG 71 1HG ARG 71 19.805 -3.561 -7.268 578 HG3 ARG 71 2HG ARG 71 20.760 -2.116 -7.607 579 HD2 ARG 71 1HD ARG 71 20.599 -3.071 -4.796 580 HD3 ARG 71 2HD ARG 71 21.596 -3.984 -5.929 581 HE ARG 71 HE ARG 71 22.156 -1.394 -4.829 582 HH11 ARG 71 2HH1 ARG 71 22.720 -3.530 -7.520 583 HH12 ARG 71 1HH1 ARG 71 24.221 -2.787 -7.964 584 HH21 ARG 71 2HH2 ARG 71 24.131 -0.407 -5.403 585 HH22 ARG 71 1HH2 ARG 71 25.023 -1.011 -6.758 586 H VAL 72 H VAL 72 15.374 -1.655 -7.901 587 HA VAL 72 HA VAL 72 14.361 -1.066 -5.213 588 HB VAL 72 HB VAL 72 13.775 0.635 -7.641 589 HG11 VAL 72 1HG1 VAL 72 12.010 0.098 -5.694 590 HG12 VAL 72 2HG1 VAL 72 12.874 1.443 -4.947 591 HG13 VAL 72 3HG1 VAL 72 12.098 1.655 -6.517 592 HG21 VAL 72 1HG2 VAL 72 14.757 2.423 -6.077 593 HG22 VAL 72 2HG2 VAL 72 15.450 1.065 -5.190 594 HG23 VAL 72 3HG2 VAL 72 15.873 1.320 -6.882 595 H TYR 73 H TYR 73 12.452 -2.002 -4.782 596 HA TYR 73 HA TYR 73 11.223 -3.605 -6.878 597 HB2 TYR 73 1HB TYR 73 10.777 -3.488 -3.891 598 HB3 TYR 73 2HB TYR 73 9.875 -4.541 -4.975 599 HD1 TYR 73 2HD TYR 73 13.355 -3.740 -3.909 600 HD2 TYR 73 1HD TYR 73 10.685 -6.669 -5.458 601 HE1 TYR 73 2HE TYR 73 15.117 -5.445 -3.707 602 HE2 TYR 73 1HE TYR 73 12.439 -8.381 -5.260 603 HH TYR 73 HH TYR 73 15.672 -7.566 -4.028 604 H THR 74 H THR 74 9.214 -3.303 -7.696 605 HA THR 74 HA THR 74 7.753 -0.913 -6.778 606 HB THR 74 HB THR 74 7.623 -2.107 -9.549 607 HG1 THR 74 1HG THR 74 9.525 -0.521 -8.397 608 HG21 THR 74 1HG2 THR 74 6.346 -0.277 -10.153 609 HG22 THR 74 2HG2 THR 74 6.942 0.711 -8.819 610 HG23 THR 74 3HG2 THR 74 5.775 -0.574 -8.511 611 H PHE 75 H PHE 75 6.135 -1.604 -5.517 612 HA PHE 75 HA PHE 75 4.592 -3.955 -6.367 613 HB2 PHE 75 1HB PHE 75 4.354 -2.634 -3.676 614 HB3 PHE 75 2HB PHE 75 3.963 -4.290 -4.128 615 HD1 PHE 75 1HD PHE 75 6.181 -5.482 -5.259 616 HD2 PHE 75 2HD PHE 75 6.137 -2.460 -2.262 617 HE1 PHE 75 1HE PHE 75 8.400 -6.216 -4.491 618 HE2 PHE 75 2HE PHE 75 8.357 -3.188 -1.491 619 HZ PHE 75 HZ PHE 75 9.492 -5.068 -2.606 620 H GLU 76 H GLU 76 2.504 -3.785 -6.943 621 HA GLU 76 HA GLU 76 1.179 -1.183 -6.556 622 HB2 GLU 76 1HB GLU 76 0.887 -2.969 -8.976 623 HB3 GLU 76 2HB GLU 76 0.150 -1.390 -8.740 624 HG2 GLU 76 1HG GLU 76 2.139 -0.264 -9.063 625 HG3 GLU 76 2HG GLU 76 3.120 -1.676 -8.673 626 H MET 77 H MET 77 -1.244 -1.353 -6.822 627 HA MET 77 HA MET 77 -2.272 -3.950 -5.917 628 HB2 MET 77 1HB MET 77 -1.993 -2.618 -3.911 629 HB3 MET 77 2HB MET 77 -2.852 -1.271 -4.644 630 HG2 MET 77 1HG MET 77 -4.911 -2.386 -4.545 631 HG3 MET 77 2HG MET 77 -4.146 -3.944 -4.240 632 HE1 MET 77 1HE MET 77 -3.737 -0.414 -3.002 633 HE2 MET 77 2HE MET 77 -5.354 -0.502 -2.302 634 HE3 MET 77 3HE MET 77 -3.937 -0.489 -1.251 635 H GLN 78 H GLN 78 -3.384 -4.450 -7.740 636 HA GLN 78 HA GLN 78 -5.068 -2.461 -9.022 637 HB2 GLN 78 1HB GLN 78 -3.623 -4.519 -10.031 638 HB3 GLN 78 2HB GLN 78 -5.206 -5.276 -9.912 639 HG2 GLN 78 1HG GLN 78 -6.162 -3.444 -11.237 640 HG3 GLN 78 2HG GLN 78 -4.555 -2.736 -11.390 641 HE21 GLN 78 1HE2 GLN 78 -3.030 -4.976 -11.820 642 HE22 GLN 78 2HE2 GLN 78 -3.462 -5.688 -13.333 643 H ILE 79 H ILE 79 -7.004 -2.070 -8.184 644 HA ILE 79 HA ILE 79 -8.471 -4.262 -6.892 645 HB ILE 79 HB ILE 79 -9.009 -1.293 -6.751 646 HG12 ILE 79 1HG1 ILE 79 -7.379 -3.153 -5.073 647 HG13 ILE 79 2HG1 ILE 79 -7.052 -1.486 -5.535 648 HG21 ILE 79 1HG2 ILE 79 -10.530 -1.856 -4.941 649 HG22 ILE 79 2HG2 ILE 79 -10.997 -2.692 -6.422 650 HG23 ILE 79 3HG2 ILE 79 -10.160 -3.569 -5.141 651 HD11 ILE 79 1HD1 ILE 79 -7.486 -1.421 -3.241 652 HD12 ILE 79 2HD1 ILE 79 -8.976 -0.856 -3.999 653 HD13 ILE 79 3HD1 ILE 79 -8.869 -2.505 -3.383 654 H ILE 80 H ILE 80 -9.967 -5.243 -8.067 655 HA ILE 80 HA ILE 80 -11.225 -3.787 -10.285 656 HB ILE 80 HB ILE 80 -11.442 -6.749 -9.810 657 HG12 ILE 80 1HG1 ILE 80 -9.567 -6.557 -11.764 658 HG13 ILE 80 2HG1 ILE 80 -9.131 -5.172 -10.769 659 HG21 ILE 80 1HG2 ILE 80 -12.722 -6.645 -11.618 660 HG22 ILE 80 2HG2 ILE 80 -12.435 -4.912 -11.755 661 HG23 ILE 80 3HG2 ILE 80 -11.342 -6.051 -12.540 662 HD11 ILE 80 1HD1 ILE 80 -7.842 -7.004 -10.022 663 HD12 ILE 80 2HD1 ILE 80 -9.091 -6.735 -8.806 664 HD13 ILE 80 3HD1 ILE 80 -9.253 -8.060 -9.958 665 H LYS 81 H LYS 81 -13.323 -3.276 -10.256 666 HA LYS 81 HA LYS 81 -15.470 -3.029 -9.549 667 HB2 LYS 81 1HB LYS 81 -15.135 -5.785 -8.355 668 HB3 LYS 81 2HB LYS 81 -16.651 -4.987 -8.757 669 HG2 LYS 81 1HG LYS 81 -15.612 -4.926 -11.166 670 HG3 LYS 81 2HG LYS 81 -14.646 -6.266 -10.543 671 HD2 LYS 81 1HD LYS 81 -16.977 -7.158 -9.732 672 HD3 LYS 81 2HD LYS 81 -17.592 -6.091 -10.997 673 HE2 LYS 81 1HE LYS 81 -15.352 -7.944 -11.646 674 HE3 LYS 81 2HE LYS 81 -16.979 -8.605 -11.500 675 HZ1 LYS 81 1HZ LYS 81 -16.068 -6.481 -13.359 676 HZ2 LYS 81 2HZ LYS 81 -17.693 -6.887 -13.128 677 HZ3 LYS 81 3HZ LYS 81 -16.619 -8.029 -13.762 678 H ALA 82 H ALA 82 -13.805 -1.674 -8.006 679 HA ALA 82 HA ALA 82 -13.658 -2.286 -5.290 680 HB1 ALA 82 1HB ALA 82 -13.936 0.516 -6.339 681 HB2 ALA 82 2HB ALA 82 -13.028 -0.049 -4.935 682 HB3 ALA 82 3HB ALA 82 -12.466 -0.434 -6.562 683 H LYS 83 H LYS 83 -15.296 -2.724 -3.975 684 HA LYS 83 HA LYS 83 -17.925 -1.587 -4.439 685 HB2 LYS 83 1HB LYS 83 -17.228 -3.324 -2.096 686 HB3 LYS 83 2HB LYS 83 -18.752 -3.196 -2.964 687 HG2 LYS 83 1HG LYS 83 -17.947 -4.470 -4.772 688 HG3 LYS 83 2HG LYS 83 -16.275 -4.333 -4.224 689 HD2 LYS 83 1HD LYS 83 -17.019 -5.586 -2.139 690 HD3 LYS 83 2HD LYS 83 -18.511 -5.942 -3.013 691 HE2 LYS 83 1HE LYS 83 -15.772 -6.581 -4.088 692 HE3 LYS 83 2HE LYS 83 -16.718 -7.714 -3.123 693 HZ1 LYS 83 1HZ LYS 83 -18.319 -7.903 -4.772 694 HZ2 LYS 83 2HZ LYS 83 -16.876 -7.861 -5.654 695 HZ3 LYS 83 3HZ LYS 83 -17.847 -6.479 -5.555 696 H ASP 84 H ASP 84 -19.161 -0.807 -2.468 697 HA ASP 84 HA ASP 84 -17.967 1.513 -1.462 698 HB2 ASP 84 1HB ASP 84 -19.981 1.933 -0.429 699 HB3 ASP 84 2HB ASP 84 -20.492 0.747 -1.627 700 H ASN 85 H ASN 85 -17.484 -1.678 -0.547 701 HA ASN 85 HA ASN 85 -16.924 -1.135 2.245 702 HB2 ASN 85 1HB ASN 85 -16.952 -3.561 0.505 703 HB3 ASN 85 2HB ASN 85 -15.985 -3.604 1.976 704 HD21 ASN 85 1HD2 ASN 85 -18.856 -4.441 0.773 705 HD22 ASN 85 2HD2 ASN 85 -19.834 -4.356 2.195 706 H PHE 86 H PHE 86 -15.273 -0.981 -0.720 707 HA PHE 86 HA PHE 86 -12.639 -1.504 0.307 708 HB2 PHE 86 1HB PHE 86 -13.638 -0.355 -2.300 709 HB3 PHE 86 2HB PHE 86 -11.927 -0.547 -1.934 710 HD1 PHE 86 2HD PHE 86 -14.994 -2.654 -1.601 711 HD2 PHE 86 1HD PHE 86 -10.968 -2.354 -2.950 712 HE1 PHE 86 2HE PHE 86 -15.090 -4.980 -2.395 713 HE2 PHE 86 1HE PHE 86 -11.058 -4.680 -3.748 714 HZ PHE 86 HZ PHE 86 -13.121 -5.997 -3.470 715 H ALA 87 H ALA 87 -14.747 1.032 0.650 716 HA ALA 87 HA ALA 87 -12.733 3.134 0.626 717 HB1 ALA 87 1HB ALA 87 -15.096 4.176 1.677 718 HB2 ALA 87 2HB ALA 87 -14.503 4.334 0.023 719 HB3 ALA 87 3HB ALA 87 -15.607 3.024 0.443 720 H GLY 88 H GLY 88 -11.609 3.723 2.362 721 HA2 GLY 88 1HA GLY 88 -12.499 4.139 4.920 722 HA3 GLY 88 2HA GLY 88 -12.044 2.441 4.890 723 H ASN 89 H ASN 89 -10.206 2.344 6.027 724 HA ASN 89 HA ASN 89 -8.042 4.202 5.284 725 HB2 ASN 89 1HB ASN 89 -8.648 4.618 7.562 726 HB3 ASN 89 2HB ASN 89 -8.663 2.897 7.937 727 HD21 ASN 89 1HD2 ASN 89 -6.425 5.261 6.516 728 HD22 ASN 89 2HD2 ASN 89 -5.047 4.754 7.427 729 H TYR 90 H TYR 90 -6.346 3.320 4.314 730 HA TYR 90 HA TYR 90 -6.026 0.406 4.413 731 HB2 TYR 90 1HB TYR 90 -5.103 2.504 2.458 732 HB3 TYR 90 2HB TYR 90 -4.444 0.872 2.446 733 HD1 TYR 90 2HD TYR 90 -7.910 2.213 2.869 734 HD2 TYR 90 1HD TYR 90 -5.290 -0.297 0.647 735 HE1 TYR 90 2HE TYR 90 -9.805 1.465 1.491 736 HE2 TYR 90 1HE TYR 90 -7.178 -1.052 -0.738 737 HH TYR 90 HH TYR 90 -10.288 -0.741 0.068 738 H ARG 91 H ARG 91 -3.842 -0.477 4.519 739 HA ARG 91 HA ARG 91 -1.758 1.226 5.592 740 HB2 ARG 91 1HB ARG 91 -3.177 0.600 7.558 741 HB3 ARG 91 2HB ARG 91 -2.796 -1.087 7.235 742 HG2 ARG 91 1HG ARG 91 -0.373 -0.486 7.500 743 HG3 ARG 91 2HG ARG 91 -0.907 1.097 8.069 744 HD2 ARG 91 1HD ARG 91 -1.781 -1.512 9.297 745 HD3 ARG 91 2HD ARG 91 -0.408 -0.568 9.875 746 HE ARG 91 HE ARG 91 -2.825 0.960 9.719 747 HH11 ARG 91 2HH1 ARG 91 -1.004 -1.273 11.673 748 HH12 ARG 91 1HH1 ARG 91 -1.724 -0.759 13.163 749 HH21 ARG 91 2HH2 ARG 91 -3.779 1.646 11.674 750 HH22 ARG 91 1HH2 ARG 91 -3.303 0.901 13.162 751 H CYS 92 H CYS 92 0.104 0.591 4.737 752 HA CYS 92 HA CYS 92 0.369 -2.218 3.889 753 HB2 CYS 92 1HB CYS 92 1.540 -1.562 1.990 754 HB3 CYS 92 2HB CYS 92 0.333 -0.290 2.139 755 HG CYS 92 HG CYS 92 2.248 1.392 1.647 756 H GLU 93 H GLU 93 2.139 -3.358 4.500 757 HA GLU 93 HA GLU 93 4.269 -1.940 5.942 758 HB2 GLU 93 1HB GLU 93 2.638 -4.270 6.911 759 HB3 GLU 93 2HB GLU 93 4.272 -4.005 7.504 760 HG2 GLU 93 1HG GLU 93 3.519 -1.670 8.126 761 HG3 GLU 93 2HG GLU 93 1.875 -2.227 7.814 762 H VAL 94 H VAL 94 6.273 -2.581 5.427 763 HA VAL 94 HA VAL 94 6.631 -5.171 4.085 764 HB VAL 94 HB VAL 94 7.950 -4.282 2.347 765 HG11 VAL 94 1HG1 VAL 94 5.963 -3.863 1.403 766 HG12 VAL 94 2HG1 VAL 94 5.339 -3.063 2.847 767 HG13 VAL 94 3HG1 VAL 94 6.343 -2.168 1.706 768 HG21 VAL 94 1HG2 VAL 94 9.364 -2.703 3.230 769 HG22 VAL 94 2HG2 VAL 94 8.254 -1.672 2.326 770 HG23 VAL 94 3HG2 VAL 94 8.068 -1.853 4.071 771 H THR 95 H THR 95 8.055 -6.318 5.196 772 HA THR 95 HA THR 95 10.074 -4.930 6.808 773 HB THR 95 HB THR 95 9.515 -7.883 6.930 774 HG1 THR 95 1HG THR 95 8.252 -6.091 8.694 775 HG21 THR 95 1HG2 THR 95 10.569 -7.821 8.993 776 HG22 THR 95 2HG2 THR 95 10.258 -6.099 9.215 777 HG23 THR 95 3HG2 THR 95 11.495 -6.632 8.077 778 H TYR 96 H TYR 96 11.988 -4.667 5.875 779 HA TYR 96 HA TYR 96 12.941 -6.716 3.991 780 HB2 TYR 96 1HB TYR 96 12.716 -4.403 3.107 781 HB3 TYR 96 2HB TYR 96 13.891 -3.860 4.300 782 HD1 TYR 96 2HD TYR 96 14.024 -7.011 2.349 783 HD2 TYR 96 1HD TYR 96 15.630 -3.109 2.897 784 HE1 TYR 96 2HE TYR 96 15.850 -7.550 0.792 785 HE2 TYR 96 1HE TYR 96 17.459 -3.637 1.340 786 HH TYR 96 HH TYR 96 17.654 -6.804 -0.259 787 H LYS 97 H LYS 97 15.170 -7.337 4.061 788 HA LYS 97 HA LYS 97 16.114 -8.071 6.553 789 HB2 LYS 97 1HB LYS 97 18.046 -7.566 4.322 790 HB3 LYS 97 2HB LYS 97 18.004 -8.892 5.476 791 HG2 LYS 97 1HG LYS 97 16.334 -8.491 3.022 792 HG3 LYS 97 2HG LYS 97 17.378 -9.850 3.444 793 HD2 LYS 97 1HD LYS 97 15.760 -10.169 5.436 794 HD3 LYS 97 2HD LYS 97 14.661 -9.151 4.503 795 HE2 LYS 97 1HE LYS 97 15.951 -11.411 3.084 796 HE3 LYS 97 2HE LYS 97 14.718 -11.813 4.279 797 HZ1 LYS 97 1HZ LYS 97 13.088 -10.969 3.008 798 HZ2 LYS 97 2HZ LYS 97 14.180 -11.220 1.740 799 HZ3 LYS 97 3HZ LYS 97 14.027 -9.684 2.433 800 H ASP 98 H ASP 98 17.058 -5.279 4.576 801 HA ASP 98 HA ASP 98 19.023 -4.295 6.345 802 HB2 ASP 98 1HB ASP 98 17.370 -2.933 4.216 803 HB3 ASP 98 2HB ASP 98 18.654 -2.119 5.107 804 H LYS 99 H LYS 99 15.918 -2.698 5.657 805 HA LYS 99 HA LYS 99 15.521 -2.297 8.532 806 HB2 LYS 99 1HB LYS 99 15.587 -0.125 6.439 807 HB3 LYS 99 2HB LYS 99 14.838 0.093 8.015 808 HG2 LYS 99 1HG LYS 99 17.701 -0.752 7.699 809 HG3 LYS 99 2HG LYS 99 17.206 0.942 7.746 810 HD2 LYS 99 1HD LYS 99 16.255 -0.889 9.896 811 HD3 LYS 99 2HD LYS 99 17.929 -0.332 9.937 812 HE2 LYS 99 1HE LYS 99 16.895 1.311 11.163 813 HE3 LYS 99 2HE LYS 99 16.835 2.016 9.549 814 HZ1 LYS 99 1HZ LYS 99 14.583 0.340 10.315 815 HZ2 LYS 99 2HZ LYS 99 14.609 1.781 9.430 816 HZ3 LYS 99 3HZ LYS 99 14.715 1.823 11.117 817 H PHE 100 H PHE 100 13.305 -1.439 9.006 818 HA PHE 100 HA PHE 100 11.367 -2.424 7.017 819 HB2 PHE 100 1HB PHE 100 11.059 -4.006 8.646 820 HB3 PHE 100 2HB PHE 100 11.601 -2.938 9.936 821 HD1 PHE 100 1HD PHE 100 8.759 -3.606 7.651 822 HD2 PHE 100 2HD PHE 100 10.062 -1.838 11.296 823 HE1 PHE 100 1HE PHE 100 6.418 -3.190 8.281 824 HE2 PHE 100 2HE PHE 100 7.723 -1.419 11.933 825 HZ PHE 100 HZ PHE 100 5.897 -2.096 10.426 826 H ASP 101 H ASP 101 9.926 -0.983 6.344 827 HA ASP 101 HA ASP 101 9.185 1.241 8.105 828 HB2 ASP 101 1HB ASP 101 11.010 1.853 6.383 829 HB3 ASP 101 2HB ASP 101 9.726 1.721 5.184 830 H SER 102 H SER 102 7.123 2.099 7.751 831 HA SER 102 HA SER 102 5.461 0.885 5.683 832 HB2 SER 102 1HB SER 102 3.778 0.100 7.201 833 HB3 SER 102 2HB SER 102 5.320 -0.559 7.750 834 HG SER 102 HG SER 102 4.575 0.262 9.575 835 H CYS 103 H CYS 103 3.221 1.885 5.707 836 HA CYS 103 HA CYS 103 3.110 4.556 6.857 837 HB2 CYS 103 1HB CYS 103 2.656 5.641 4.719 838 HB3 CYS 103 2HB CYS 103 4.240 4.876 4.692 839 HG CYS 103 HG CYS 103 3.641 2.887 2.987 840 H SER 104 H SER 104 0.938 5.616 5.886 841 HA SER 104 HA SER 104 -1.164 3.583 5.758 842 HB2 SER 104 1HB SER 104 -1.174 5.879 7.732 843 HB3 SER 104 2HB SER 104 -2.493 4.736 7.477 844 HG SER 104 HG SER 104 -0.558 3.175 7.933 845 H PHE 105 H PHE 105 -2.996 4.203 4.651 846 HA PHE 105 HA PHE 105 -3.180 6.957 3.691 847 HB2 PHE 105 1HB PHE 105 -3.697 5.947 1.362 848 HB3 PHE 105 2HB PHE 105 -2.014 6.089 1.861 849 HD1 PHE 105 1HD PHE 105 -1.107 3.950 3.158 850 HD2 PHE 105 2HD PHE 105 -4.365 3.971 0.419 851 HE1 PHE 105 1HE PHE 105 -0.786 1.543 2.762 852 HE2 PHE 105 2HE PHE 105 -4.050 1.564 0.020 853 HZ PHE 105 HZ PHE 105 -2.259 0.346 1.193 854 H ASP 106 H ASP 106 -5.248 6.921 2.068 855 HA ASP 106 HA ASP 106 -7.376 5.352 3.340 856 HB2 ASP 106 1HB ASP 106 -8.747 7.207 3.759 857 HB3 ASP 106 2HB ASP 106 -7.150 7.749 4.269 858 H LEU 107 H LEU 107 -9.226 5.009 2.046 859 HA LEU 107 HA LEU 107 -8.944 5.764 -0.782 860 HB2 LEU 107 1HB LEU 107 -8.234 3.390 -0.274 861 HB3 LEU 107 2HB LEU 107 -9.917 3.071 0.141 862 HG LEU 107 HG LEU 107 -9.033 2.442 -2.213 863 HD11 LEU 107 1HD1 LEU 107 -11.598 3.962 -1.777 864 HD12 LEU 107 2HD1 LEU 107 -11.345 2.227 -1.591 865 HD13 LEU 107 3HD1 LEU 107 -11.247 2.966 -3.189 866 HD21 LEU 107 1HD2 LEU 107 -8.930 4.091 -3.842 867 HD22 LEU 107 2HD2 LEU 107 -8.126 4.848 -2.467 868 HD23 LEU 107 3HD2 LEU 107 -9.796 5.266 -2.852 869 H GLU 108 H GLU 108 -10.729 6.595 -1.668 870 HA GLU 108 HA GLU 108 -13.230 6.417 -0.129 871 HB2 GLU 108 1HB GLU 108 -12.129 8.516 -1.981 872 HB3 GLU 108 2HB GLU 108 -13.844 8.449 -1.599 873 HG2 GLU 108 1HG GLU 108 -13.411 8.804 0.723 874 HG3 GLU 108 2HG GLU 108 -11.673 8.653 0.472 875 H VAL 109 H VAL 109 -15.179 5.967 -1.165 876 HA VAL 109 HA VAL 109 -14.968 4.974 -3.930 877 HB VAL 109 HB VAL 109 -16.591 3.662 -1.747 878 HG11 VAL 109 1HG1 VAL 109 -17.167 2.017 -3.312 879 HG12 VAL 109 2HG1 VAL 109 -17.348 3.539 -4.187 880 HG13 VAL 109 3HG1 VAL 109 -15.921 2.535 -4.447 881 HG21 VAL 109 1HG2 VAL 109 -13.969 3.528 -1.726 882 HG22 VAL 109 2HG2 VAL 109 -14.946 2.089 -1.435 883 HG23 VAL 109 3HG2 VAL 109 -14.231 2.364 -3.024 884 H HIS 110 H HIS 110 -16.341 5.953 -5.251 885 HA HIS 110 HA HIS 110 -18.677 7.316 -4.107 886 HB2 HIS 110 1HB HIS 110 -17.153 7.728 -6.680 887 HB3 HIS 110 2HB HIS 110 -18.699 8.506 -6.353 888 HD1 HIS 110 1HD HIS 110 -17.531 10.832 -6.438 889 HD2 HIS 110 2HD HIS 110 -16.171 8.327 -3.416 890 HE1 HIS 110 1HE HIS 110 -16.209 12.306 -4.888 891 HE2 HIS 110 2HE HIS 110 -15.325 10.752 -3.113 892 H GLU 111 H GLU 111 -20.732 6.927 -4.826 893 HA GLU 111 HA GLU 111 -21.303 4.378 -5.885 894 HB2 GLU 111 1HB GLU 111 -23.021 6.828 -5.502 895 HB3 GLU 111 2HB GLU 111 -23.658 5.295 -6.081 896 HG2 GLU 111 1HG GLU 111 -22.576 4.324 -3.937 897 HG3 GLU 111 2HG GLU 111 -22.584 5.998 -3.386 898 H SER 112 H SER 112 -21.309 3.679 -7.910 899 HA SER 112 HA SER 112 -20.779 5.445 -10.092 900 HB2 SER 112 1HB SER 112 -19.945 3.075 -9.918 901 HB3 SER 112 2HB SER 112 -21.592 2.535 -10.242 902 HG SER 112 HG SER 112 -20.231 2.671 -12.129 903 H THR 113 H THR 113 -22.341 6.786 -10.746 904 HA THR 113 HA THR 113 -24.881 5.609 -11.605 905 HB THR 113 HB THR 113 -26.134 7.557 -10.690 906 HG1 THR 113 1HG THR 113 -23.564 8.188 -9.768 907 HG21 THR 113 1HG2 THR 113 -26.634 6.259 -8.946 908 HG22 THR 113 2HG2 THR 113 -25.073 6.586 -8.192 909 HG23 THR 113 3HG2 THR 113 -25.234 5.268 -9.351 910 H GLY 114 H GLY 114 -25.116 6.080 -13.685 911 HA2 GLY 114 1HA GLY 114 -23.620 8.177 -14.945 912 HA3 GLY 114 2HA GLY 114 -24.788 7.118 -15.721 913 H THR 115 H THR 115 -24.166 10.232 -15.170 914 HA THR 115 HA THR 115 -26.821 11.117 -14.425 915 HB THR 115 HB THR 115 -24.480 12.773 -15.383 916 HG1 THR 115 1HG THR 115 -24.436 11.410 -13.278 917 HG21 THR 115 1HG2 THR 115 -26.488 13.911 -13.559 918 HG22 THR 115 2HG2 THR 115 -27.078 13.542 -15.180 919 HG23 THR 115 3HG2 THR 115 -25.702 14.623 -14.968 920 H THR 116 H THR 116 -28.415 11.657 -15.775 921 HA THR 116 HA THR 116 -28.047 11.283 -18.613 922 HB THR 116 HB THR 116 -30.465 11.671 -18.788 923 HG1 THR 116 1HG THR 116 -30.086 12.589 -16.175 924 HG21 THR 116 1HG2 THR 116 -30.111 9.899 -16.399 925 HG22 THR 116 2HG2 THR 116 -29.382 9.462 -17.944 926 HG23 THR 116 3HG2 THR 116 -31.129 9.668 -17.820 927 HA PRO 117 HA PRO 117 -27.402 15.495 -19.718 928 HB2 PRO 117 1HB PRO 117 -28.313 15.424 -22.274 929 HB3 PRO 117 2HB PRO 117 -26.775 14.703 -21.782 930 HG2 PRO 117 1HG PRO 117 -29.427 13.388 -22.227 931 HG3 PRO 117 2HG PRO 117 -27.812 12.845 -22.719 932 HD2 PRO 117 1HD PRO 117 -29.084 11.851 -20.545 933 HD3 PRO 117 2HD PRO 117 -27.318 12.011 -20.627 934 H ASN 118 H ASN 118 -28.594 17.377 -20.716 935 HA ASN 118 HA ASN 118 -31.491 17.219 -20.246 936 HB2 ASN 118 1HB ASN 118 -30.718 18.237 -18.256 937 HB3 ASN 118 2HB ASN 118 -29.548 19.229 -19.121 938 HD21 ASN 118 1HD2 ASN 118 -30.138 21.188 -19.840 939 HD22 ASN 118 2HD2 ASN 118 -31.724 21.854 -19.682 940 H ILE 119 H ILE 119 -32.611 19.238 -21.108 941 HA ILE 119 HA ILE 119 -31.344 20.024 -23.651 942 HB ILE 119 HB ILE 119 -34.287 19.685 -23.063 943 HG12 ILE 119 1HG1 ILE 119 -32.617 18.133 -25.035 944 HG13 ILE 119 2HG1 ILE 119 -32.812 17.608 -23.366 945 HG21 ILE 119 1HG2 ILE 119 -34.681 20.236 -25.370 946 HG22 ILE 119 2HG2 ILE 119 -33.763 21.542 -24.621 947 HG23 ILE 119 3HG2 ILE 119 -32.949 20.383 -25.672 948 HD11 ILE 119 1HD1 ILE 119 -35.206 17.438 -23.677 949 HD12 ILE 119 2HD1 ILE 119 -35.051 18.034 -25.330 950 HD13 ILE 119 3HD1 ILE 119 -34.354 16.477 -24.885 951 H ASP 120 H ASP 120 -31.402 22.148 -24.272 952 HA ASP 120 HA ASP 120 -32.128 24.056 -22.178 953 HB2 ASP 120 1HB ASP 120 -29.845 24.100 -23.231 954 HB3 ASP 120 2HB ASP 120 -30.613 24.583 -24.741 955 H SER 121 H SER 121 -33.244 26.038 -22.733 956 HA SER 121 HA SER 121 -35.682 25.707 -23.920 957 HB2 SER 121 1HB SER 121 -35.940 28.081 -23.875 958 HB3 SER 121 2HB SER 121 -34.901 27.667 -22.511 959 HG SER 121 HG SER 121 -34.305 29.470 -24.095 960 H GLY 122 H GLY 122 -36.556 26.830 -25.894 961 HA2 GLY 122 1HA GLY 122 -34.686 26.423 -28.147 962 HA3 GLY 122 2HA GLY 122 -36.407 26.072 -28.226 963 HA PRO 123 HA PRO 123 -35.361 30.453 -29.722 964 HB2 PRO 123 1HB PRO 123 -35.803 30.051 -32.371 965 HB3 PRO 123 2HB PRO 123 -34.218 29.838 -31.618 966 HG2 PRO 123 1HG PRO 123 -36.264 27.776 -32.341 967 HG3 PRO 123 2HG PRO 123 -34.505 27.732 -32.561 968 HD2 PRO 123 1HD PRO 123 -35.751 26.453 -30.525 969 HD3 PRO 123 2HD PRO 123 -34.119 27.135 -30.368 970 H SER 124 H SER 124 -36.883 31.787 -31.204 971 HA SER 124 HA SER 124 -39.655 30.882 -30.768 972 HB2 SER 124 1HB SER 124 -38.847 32.777 -29.274 973 HB3 SER 124 2HB SER 124 -38.759 33.767 -30.731 974 HG SER 124 HG SER 124 -40.890 33.816 -30.851 975 H SER 125 H SER 125 -41.231 32.175 -32.177 976 HA SER 125 HA SER 125 -40.122 32.282 -34.902 977 HB2 SER 125 1HB SER 125 -42.037 30.628 -34.157 978 HB3 SER 125 2HB SER 125 -43.060 32.047 -34.376 979 HG SER 125 HG SER 125 -42.257 30.418 -36.234 980 H GLY 126 H GLY 126 -41.641 33.698 -36.375 981 HA2 GLY 126 1HA GLY 126 -41.665 36.347 -35.121 982 HA3 GLY 126 2HA GLY 126 -41.665 36.021 -36.848 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 8.057 22.789 15.207 2 HA2 GLY 1 1HA GLY 1 8.221 20.661 17.011 3 HA3 GLY 1 2HA GLY 1 6.727 21.415 16.475 4 H SER 2 H SER 2 9.196 19.398 14.880 5 HA SER 2 HA SER 2 7.019 17.591 14.051 6 HB2 SER 2 1HB SER 2 7.922 18.882 12.151 7 HB3 SER 2 2HB SER 2 9.536 18.266 12.507 8 HG SER 2 HG SER 2 7.517 16.383 12.184 9 H SER 3 H SER 3 7.192 15.896 15.393 10 HA SER 3 HA SER 3 9.860 14.771 15.899 11 HB2 SER 3 1HB SER 3 7.284 14.734 17.428 12 HB3 SER 3 2HB SER 3 8.444 13.427 17.664 13 HG SER 3 HG SER 3 8.859 15.075 19.137 14 H GLY 4 H GLY 4 10.057 12.412 15.938 15 HA2 GLY 4 1HA GLY 4 8.525 10.397 15.255 16 HA3 GLY 4 2HA GLY 4 8.544 11.245 13.716 17 H SER 5 H SER 5 9.680 9.853 12.473 18 HA SER 5 HA SER 5 12.190 8.752 13.467 19 HB2 SER 5 1HB SER 5 10.446 8.204 11.085 20 HB3 SER 5 2HB SER 5 12.124 7.660 11.093 21 HG SER 5 HG SER 5 11.354 6.851 13.347 22 H SER 6 H SER 6 13.981 8.652 11.697 23 HA SER 6 HA SER 6 14.300 11.368 10.596 24 HB2 SER 6 1HB SER 6 16.703 11.158 10.994 25 HB3 SER 6 2HB SER 6 15.815 10.906 12.497 26 HG SER 6 HG SER 6 17.525 9.351 12.037 27 H GLY 7 H GLY 7 13.716 11.057 8.499 28 HA2 GLY 7 1HA GLY 7 14.618 10.658 6.311 29 HA3 GLY 7 2HA GLY 7 15.435 9.239 6.949 30 H ILE 8 H ILE 8 14.215 8.725 4.722 31 HA ILE 8 HA ILE 8 11.835 7.218 5.536 32 HB ILE 8 HB ILE 8 11.999 8.911 3.040 33 HG12 ILE 8 1HG1 ILE 8 9.768 9.738 4.247 34 HG13 ILE 8 2HG1 ILE 8 10.644 9.205 5.677 35 HG21 ILE 8 1HG2 ILE 8 9.890 6.973 3.974 36 HG22 ILE 8 2HG2 ILE 8 9.672 8.124 2.658 37 HG23 ILE 8 3HG2 ILE 8 10.884 6.850 2.523 38 HD11 ILE 8 1HD1 ILE 8 11.787 11.121 3.666 39 HD12 ILE 8 2HD1 ILE 8 10.885 11.627 5.096 40 HD13 ILE 8 3HD1 ILE 8 12.399 10.741 5.275 41 H LEU 9 H LEU 9 12.276 5.154 5.173 42 HA LEU 9 HA LEU 9 14.302 4.333 3.312 43 HB2 LEU 9 1HB LEU 9 14.196 3.047 5.260 44 HB3 LEU 9 2HB LEU 9 12.442 2.898 5.172 45 HG LEU 9 HG LEU 9 12.995 1.542 2.985 46 HD11 LEU 9 1HD1 LEU 9 15.287 1.708 2.762 47 HD12 LEU 9 2HD1 LEU 9 15.107 0.158 3.584 48 HD13 LEU 9 3HD1 LEU 9 15.571 1.593 4.499 49 HD21 LEU 9 1HD2 LEU 9 13.237 0.553 5.818 50 HD22 LEU 9 2HD2 LEU 9 13.153 -0.519 4.420 51 HD23 LEU 9 3HD2 LEU 9 11.805 0.558 4.788 52 H PHE 10 H PHE 10 10.782 4.249 3.446 53 HA PHE 10 HA PHE 10 10.472 2.700 1.067 54 HB2 PHE 10 1HB PHE 10 8.802 3.234 3.076 55 HB3 PHE 10 2HB PHE 10 8.300 4.521 1.985 56 HD1 PHE 10 2HD PHE 10 8.987 0.856 1.955 57 HD2 PHE 10 1HD PHE 10 6.636 4.077 0.466 58 HE1 PHE 10 2HE PHE 10 7.580 -0.744 0.726 59 HE2 PHE 10 1HE PHE 10 5.224 2.482 -0.765 60 HZ PHE 10 HZ PHE 10 5.696 0.068 -0.637 61 H ILE 11 H ILE 11 11.322 3.508 -0.761 62 HA ILE 11 HA ILE 11 11.836 6.051 -1.526 63 HB ILE 11 HB ILE 11 10.761 3.864 -3.309 64 HG12 ILE 11 1HG1 ILE 11 12.759 3.123 -2.225 65 HG13 ILE 11 2HG1 ILE 11 13.212 3.602 -3.857 66 HG21 ILE 11 1HG2 ILE 11 10.531 5.751 -4.626 67 HG22 ILE 11 2HG2 ILE 11 11.927 6.550 -3.905 68 HG23 ILE 11 3HG2 ILE 11 12.160 5.213 -5.031 69 HD11 ILE 11 1HD1 ILE 11 13.947 4.779 -1.259 70 HD12 ILE 11 2HD1 ILE 11 14.875 4.639 -2.753 71 HD13 ILE 11 3HD1 ILE 11 13.663 5.908 -2.584 72 H GLU 12 H GLU 12 8.964 4.473 -2.903 73 HA GLU 12 HA GLU 12 7.583 7.068 -2.754 74 HB2 GLU 12 1HB GLU 12 8.065 5.726 -4.996 75 HB3 GLU 12 2HB GLU 12 6.602 4.876 -4.520 76 HG2 GLU 12 1HG GLU 12 5.728 6.525 -5.830 77 HG3 GLU 12 2HG GLU 12 5.644 7.292 -4.245 78 H LYS 13 H LYS 13 5.521 7.205 -1.935 79 HA LYS 13 HA LYS 13 4.598 4.838 -0.450 80 HB2 LYS 13 1HB LYS 13 4.186 7.787 0.043 81 HB3 LYS 13 2HB LYS 13 3.310 6.535 0.914 82 HG2 LYS 13 1HG LYS 13 6.272 6.372 0.864 83 HG3 LYS 13 2HG LYS 13 5.524 7.622 1.861 84 HD2 LYS 13 1HD LYS 13 4.157 5.881 2.958 85 HD3 LYS 13 2HD LYS 13 4.992 4.654 2.003 86 HE2 LYS 13 1HE LYS 13 6.214 4.589 3.943 87 HE3 LYS 13 2HE LYS 13 7.136 5.772 3.017 88 HZ1 LYS 13 1HZ LYS 13 5.669 7.482 4.178 89 HZ2 LYS 13 2HZ LYS 13 6.877 6.740 5.099 90 HZ3 LYS 13 3HZ LYS 13 5.268 6.242 5.257 91 HA PRO 14 HA PRO 14 1.059 4.602 -3.067 92 HB2 PRO 14 1HB PRO 14 -0.559 3.164 -1.429 93 HB3 PRO 14 2HB PRO 14 0.816 2.456 -2.284 94 HG2 PRO 14 1HG PRO 14 0.622 3.376 0.558 95 HG3 PRO 14 2HG PRO 14 1.374 1.908 -0.094 96 HD2 PRO 14 1HD PRO 14 2.811 4.095 0.603 97 HD3 PRO 14 2HD PRO 14 3.292 3.020 -0.726 98 H GLN 15 H GLN 15 0.669 6.938 -2.877 99 HA GLN 15 HA GLN 15 -0.852 8.082 -0.807 100 HB2 GLN 15 1HB GLN 15 -0.396 8.881 -3.676 101 HB3 GLN 15 2HB GLN 15 -1.379 9.845 -2.582 102 HG2 GLN 15 1HG GLN 15 0.612 10.891 -2.311 103 HG3 GLN 15 2HG GLN 15 0.764 9.662 -1.056 104 HE21 GLN 15 1HE2 GLN 15 2.927 9.410 -1.047 105 HE22 GLN 15 2HE2 GLN 15 3.850 8.846 -2.394 106 H GLY 16 H GLY 16 -2.785 7.307 -0.230 107 HA2 GLY 16 1HA GLY 16 -4.569 5.842 -1.732 108 HA3 GLY 16 2HA GLY 16 -5.033 6.839 -0.361 109 H GLY 17 H GLY 17 -6.805 6.485 -2.398 110 HA2 GLY 17 1HA GLY 17 -7.083 9.218 -3.356 111 HA3 GLY 17 2HA GLY 17 -6.946 7.986 -4.602 112 H THR 18 H THR 18 -9.004 8.278 -5.416 113 HA THR 18 HA THR 18 -11.135 7.132 -3.773 114 HB THR 18 HB THR 18 -11.590 9.659 -5.361 115 HG1 THR 18 1HG THR 18 -10.648 9.277 -2.784 116 HG21 THR 18 1HG2 THR 18 -13.265 7.878 -3.660 117 HG22 THR 18 2HG2 THR 18 -13.671 8.717 -5.158 118 HG23 THR 18 3HG2 THR 18 -13.595 9.609 -3.639 119 H VAL 19 H VAL 19 -11.733 5.404 -4.907 120 HA VAL 19 HA VAL 19 -11.860 5.601 -7.839 121 HB VAL 19 HB VAL 19 -10.424 3.804 -6.950 122 HG11 VAL 19 1HG1 VAL 19 -12.757 2.228 -6.036 123 HG12 VAL 19 2HG1 VAL 19 -11.089 2.229 -5.459 124 HG13 VAL 19 3HG1 VAL 19 -12.193 3.515 -4.969 125 HG21 VAL 19 1HG2 VAL 19 -11.117 3.194 -9.035 126 HG22 VAL 19 2HG2 VAL 19 -11.837 1.880 -8.105 127 HG23 VAL 19 3HG2 VAL 19 -12.827 3.251 -8.607 128 H LYS 20 H LYS 20 -13.713 5.120 -8.949 129 HA LYS 20 HA LYS 20 -16.181 5.409 -7.535 130 HB2 LYS 20 1HB LYS 20 -15.608 6.230 -9.903 131 HB3 LYS 20 2HB LYS 20 -15.915 4.576 -10.416 132 HG2 LYS 20 1HG LYS 20 -17.901 5.813 -10.788 133 HG3 LYS 20 2HG LYS 20 -18.190 4.773 -9.391 134 HD2 LYS 20 1HD LYS 20 -19.080 6.894 -8.832 135 HD3 LYS 20 2HD LYS 20 -17.559 6.753 -7.948 136 HE2 LYS 20 1HE LYS 20 -17.272 8.840 -8.801 137 HE3 LYS 20 2HE LYS 20 -16.626 7.911 -10.152 138 HZ1 LYS 20 1HZ LYS 20 -18.716 9.716 -10.210 139 HZ2 LYS 20 2HZ LYS 20 -19.430 8.196 -10.403 140 HZ3 LYS 20 3HZ LYS 20 -18.211 8.697 -11.462 141 H VAL 21 H VAL 21 -17.946 3.922 -7.526 142 HA VAL 21 HA VAL 21 -17.238 1.296 -6.807 143 HB VAL 21 HB VAL 21 -19.923 2.481 -7.508 144 HG11 VAL 21 1HG1 VAL 21 -20.969 0.520 -6.643 145 HG12 VAL 21 2HG1 VAL 21 -19.810 0.005 -7.870 146 HG13 VAL 21 3HG1 VAL 21 -19.417 -0.164 -6.159 147 HG21 VAL 21 1HG2 VAL 21 -20.231 2.281 -5.017 148 HG22 VAL 21 2HG2 VAL 21 -18.510 1.914 -4.910 149 HG23 VAL 21 3HG2 VAL 21 -19.041 3.474 -5.537 150 H GLY 22 H GLY 22 -16.786 -0.416 -8.022 151 HA2 GLY 22 1HA GLY 22 -17.210 -1.985 -9.731 152 HA3 GLY 22 2HA GLY 22 -18.130 -0.762 -10.594 153 H GLU 23 H GLU 23 -15.717 1.082 -9.954 154 HA GLU 23 HA GLU 23 -14.431 0.683 -12.479 155 HB2 GLU 23 1HB GLU 23 -14.346 2.698 -10.315 156 HB3 GLU 23 2HB GLU 23 -12.881 2.540 -11.273 157 HG2 GLU 23 1HG GLU 23 -15.619 3.362 -12.147 158 HG3 GLU 23 2HG GLU 23 -14.085 4.207 -12.349 159 H ASP 24 H ASP 24 -11.837 1.156 -12.243 160 HA ASP 24 HA ASP 24 -10.774 -0.891 -10.416 161 HB2 ASP 24 1HB ASP 24 -9.290 -1.709 -12.170 162 HB3 ASP 24 2HB ASP 24 -10.970 -1.839 -12.686 163 H ILE 25 H ILE 25 -9.263 -0.080 -9.136 164 HA ILE 25 HA ILE 25 -7.629 2.162 -10.131 165 HB ILE 25 HB ILE 25 -9.143 3.018 -8.455 166 HG12 ILE 25 1HG1 ILE 25 -6.547 2.701 -6.980 167 HG13 ILE 25 2HG1 ILE 25 -6.601 3.591 -8.498 168 HG21 ILE 25 1HG2 ILE 25 -8.116 0.756 -6.755 169 HG22 ILE 25 2HG2 ILE 25 -9.014 2.129 -6.110 170 HG23 ILE 25 3HG2 ILE 25 -9.774 1.050 -7.280 171 HD11 ILE 25 1HD1 ILE 25 -6.980 5.335 -7.142 172 HD12 ILE 25 2HD1 ILE 25 -8.644 4.751 -7.186 173 HD13 ILE 25 3HD1 ILE 25 -7.594 4.323 -5.835 174 H THR 26 H THR 26 -5.467 2.269 -9.400 175 HA THR 26 HA THR 26 -4.435 -0.147 -8.083 176 HB THR 26 HB THR 26 -3.045 1.107 -10.450 177 HG1 THR 26 1HG THR 26 -5.053 -0.847 -10.326 178 HG21 THR 26 1HG2 THR 26 -1.678 -0.198 -8.838 179 HG22 THR 26 2HG2 THR 26 -1.729 -0.918 -10.447 180 HG23 THR 26 3HG2 THR 26 -2.709 -1.595 -9.147 181 H PHE 27 H PHE 27 -2.697 0.158 -6.743 182 HA PHE 27 HA PHE 27 -1.921 2.958 -6.286 183 HB2 PHE 27 1HB PHE 27 -1.773 0.607 -4.388 184 HB3 PHE 27 2HB PHE 27 -1.350 2.271 -4.002 185 HD1 PHE 27 1HD PHE 27 -4.101 -0.046 -4.710 186 HD2 PHE 27 2HD PHE 27 -3.038 3.918 -3.579 187 HE1 PHE 27 1HE PHE 27 -6.429 0.384 -4.039 188 HE2 PHE 27 2HE PHE 27 -5.363 4.354 -2.906 189 HZ PHE 27 HZ PHE 27 -7.063 2.585 -3.134 190 H ILE 28 H ILE 28 0.276 3.445 -5.793 191 HA ILE 28 HA ILE 28 2.170 1.495 -6.929 192 HB ILE 28 HB ILE 28 2.287 4.510 -6.915 193 HG12 ILE 28 1HG1 ILE 28 0.848 3.563 -8.646 194 HG13 ILE 28 2HG1 ILE 28 2.305 4.237 -9.368 195 HG21 ILE 28 1HG2 ILE 28 4.403 2.496 -7.206 196 HG22 ILE 28 2HG2 ILE 28 4.374 3.735 -8.459 197 HG23 ILE 28 3HG2 ILE 28 4.508 4.200 -6.763 198 HD11 ILE 28 1HD1 ILE 28 1.515 1.377 -9.034 199 HD12 ILE 28 2HD1 ILE 28 2.031 2.235 -10.486 200 HD13 ILE 28 3HD1 ILE 28 3.207 1.828 -9.237 201 H ALA 29 H ALA 29 3.999 0.974 -5.825 202 HA ALA 29 HA ALA 29 4.711 2.445 -3.415 203 HB1 ALA 29 1HB ALA 29 3.386 -0.161 -3.394 204 HB2 ALA 29 2HB ALA 29 4.877 -0.107 -2.453 205 HB3 ALA 29 3HB ALA 29 3.573 1.030 -2.106 206 H LYS 30 H LYS 30 6.821 2.781 -3.551 207 HA LYS 30 HA LYS 30 8.506 0.697 -4.781 208 HB2 LYS 30 1HB LYS 30 8.525 3.668 -5.007 209 HB3 LYS 30 2HB LYS 30 10.074 2.836 -5.037 210 HG2 LYS 30 1HG LYS 30 9.661 1.841 -7.048 211 HG3 LYS 30 2HG LYS 30 7.912 1.835 -6.811 212 HD2 LYS 30 1HD LYS 30 9.306 4.454 -7.073 213 HD3 LYS 30 2HD LYS 30 9.060 3.481 -8.525 214 HE2 LYS 30 1HE LYS 30 6.672 3.422 -8.114 215 HE3 LYS 30 2HE LYS 30 6.886 4.301 -6.600 216 HZ1 LYS 30 1HZ LYS 30 7.378 6.251 -7.702 217 HZ2 LYS 30 2HZ LYS 30 6.185 5.584 -8.698 218 HZ3 LYS 30 3HZ LYS 30 7.815 5.472 -9.140 219 H VAL 31 H VAL 31 10.523 0.257 -3.845 220 HA VAL 31 HA VAL 31 11.122 1.511 -1.270 221 HB VAL 31 HB VAL 31 9.782 -0.501 -0.760 222 HG11 VAL 31 1HG1 VAL 31 11.991 -1.911 -2.244 223 HG12 VAL 31 2HG1 VAL 31 10.857 -2.730 -1.167 224 HG13 VAL 31 3HG1 VAL 31 10.267 -1.914 -2.616 225 HG21 VAL 31 1HG2 VAL 31 12.691 -0.722 0.008 226 HG22 VAL 31 2HG2 VAL 31 11.479 0.273 0.815 227 HG23 VAL 31 3HG2 VAL 31 11.341 -1.484 0.849 228 H LYS 32 H LYS 32 13.269 1.657 -0.814 229 HA LYS 32 HA LYS 32 15.109 1.167 -2.957 230 HB2 LYS 32 1HB LYS 32 15.108 3.101 -1.228 231 HB3 LYS 32 2HB LYS 32 15.915 1.951 -0.170 232 HG2 LYS 32 1HG LYS 32 17.643 3.164 -1.162 233 HG3 LYS 32 2HG LYS 32 17.597 1.644 -2.057 234 HD2 LYS 32 1HD LYS 32 15.934 3.047 -3.586 235 HD3 LYS 32 2HD LYS 32 16.868 4.390 -2.923 236 HE2 LYS 32 1HE LYS 32 18.897 2.824 -3.582 237 HE3 LYS 32 2HE LYS 32 17.718 2.178 -4.722 238 HZ1 LYS 32 1HZ LYS 32 18.639 3.855 -5.943 239 HZ2 LYS 32 2HZ LYS 32 18.917 4.852 -4.605 240 HZ3 LYS 32 3HZ LYS 32 17.354 4.696 -5.232 241 H ALA 33 H ALA 33 16.364 -0.553 -3.272 242 HA ALA 33 HA ALA 33 16.746 -2.433 -1.033 243 HB1 ALA 33 1HB ALA 33 15.898 -4.103 -2.224 244 HB2 ALA 33 2HB ALA 33 15.390 -2.917 -3.428 245 HB3 ALA 33 3HB ALA 33 16.946 -3.731 -3.593 246 H GLU 34 H GLU 34 18.693 -3.763 -1.180 247 HA GLU 34 HA GLU 34 20.849 -2.450 -2.699 248 HB2 GLU 34 1HB GLU 34 21.076 -3.609 0.084 249 HB3 GLU 34 2HB GLU 34 22.364 -2.834 -0.829 250 HG2 GLU 34 1HG GLU 34 21.177 -0.721 -0.760 251 HG3 GLU 34 2HG GLU 34 19.837 -1.484 0.093 252 H ASP 35 H ASP 35 19.794 -5.429 -1.094 253 HA ASP 35 HA ASP 35 21.735 -6.979 -2.627 254 HB2 ASP 35 1HB ASP 35 19.764 -7.885 -0.516 255 HB3 ASP 35 2HB ASP 35 21.040 -8.867 -1.230 256 H LEU 36 H LEU 36 21.236 -8.193 -4.349 257 HA LEU 36 HA LEU 36 18.659 -7.931 -5.553 258 HB2 LEU 36 1HB LEU 36 20.878 -9.796 -6.362 259 HB3 LEU 36 2HB LEU 36 19.556 -9.207 -7.368 260 HG LEU 36 HG LEU 36 21.861 -7.575 -6.305 261 HD11 LEU 36 1HD1 LEU 36 22.825 -7.708 -8.363 262 HD12 LEU 36 2HD1 LEU 36 21.289 -7.948 -9.194 263 HD13 LEU 36 3HD1 LEU 36 22.035 -9.285 -8.318 264 HD21 LEU 36 1HD2 LEU 36 19.584 -6.433 -6.516 265 HD22 LEU 36 2HD2 LEU 36 19.770 -6.659 -8.255 266 HD23 LEU 36 3HD2 LEU 36 20.946 -5.696 -7.359 267 H LEU 37 H LEU 37 20.475 -10.692 -4.230 268 HA LEU 37 HA LEU 37 18.605 -12.685 -4.656 269 HB2 LEU 37 1HB LEU 37 20.341 -12.449 -2.207 270 HB3 LEU 37 2HB LEU 37 19.689 -13.925 -2.917 271 HG LEU 37 HG LEU 37 21.527 -12.252 -4.559 272 HD11 LEU 37 1HD1 LEU 37 23.331 -13.854 -3.479 273 HD12 LEU 37 2HD1 LEU 37 22.261 -13.719 -2.084 274 HD13 LEU 37 3HD1 LEU 37 22.968 -12.269 -2.795 275 HD21 LEU 37 1HD2 LEU 37 21.639 -15.211 -4.322 276 HD22 LEU 37 2HD2 LEU 37 21.861 -14.177 -5.734 277 HD23 LEU 37 3HD2 LEU 37 20.238 -14.496 -5.120 278 H ARG 38 H ARG 38 18.915 -10.525 -1.851 279 HA ARG 38 HA ARG 38 16.634 -11.599 -0.511 280 HB2 ARG 38 1HB ARG 38 18.019 -8.944 -0.086 281 HB3 ARG 38 2HB ARG 38 16.903 -9.723 1.029 282 HG2 ARG 38 1HG ARG 38 19.483 -10.997 0.169 283 HG3 ARG 38 2HG ARG 38 19.362 -9.923 1.564 284 HD2 ARG 38 1HD ARG 38 18.144 -11.424 2.788 285 HD3 ARG 38 2HD ARG 38 17.438 -12.179 1.360 286 HE ARG 38 HE ARG 38 20.130 -12.778 1.291 287 HH11 ARG 38 2HH1 ARG 38 17.453 -13.336 3.445 288 HH12 ARG 38 1HH1 ARG 38 18.083 -14.831 4.052 289 HH21 ARG 38 2HH2 ARG 38 20.971 -14.745 2.082 290 HH22 ARG 38 1HH2 ARG 38 20.085 -15.631 3.277 291 H LYS 39 H LYS 39 14.566 -10.783 -0.343 292 HA LYS 39 HA LYS 39 13.854 -8.468 -1.986 293 HB2 LYS 39 1HB LYS 39 13.420 -10.228 -3.514 294 HB3 LYS 39 2HB LYS 39 12.711 -11.241 -2.264 295 HG2 LYS 39 1HG LYS 39 10.892 -9.480 -2.078 296 HG3 LYS 39 2HG LYS 39 11.538 -8.812 -3.579 297 HD2 LYS 39 1HD LYS 39 10.673 -11.682 -3.259 298 HD3 LYS 39 2HD LYS 39 9.618 -10.403 -3.864 299 HE2 LYS 39 1HE LYS 39 11.238 -9.967 -5.674 300 HE3 LYS 39 2HE LYS 39 12.225 -11.304 -5.086 301 HZ1 LYS 39 1HZ LYS 39 10.972 -12.231 -6.785 302 HZ2 LYS 39 2HZ LYS 39 9.563 -11.402 -6.355 303 HZ3 LYS 39 3HZ LYS 39 10.114 -12.683 -5.398 304 HA PRO 40 HA PRO 40 11.608 -7.682 1.778 305 HB2 PRO 40 1HB PRO 40 10.528 -5.325 0.974 306 HB3 PRO 40 2HB PRO 40 12.210 -5.483 1.493 307 HG2 PRO 40 1HG PRO 40 11.084 -5.397 -1.279 308 HG3 PRO 40 2HG PRO 40 12.524 -4.591 -0.631 309 HD2 PRO 40 1HD PRO 40 12.663 -6.863 -2.097 310 HD3 PRO 40 2HD PRO 40 13.819 -6.489 -0.803 311 H THR 41 H THR 41 9.583 -8.145 2.446 312 HA THR 41 HA THR 41 7.602 -8.795 0.391 313 HB THR 41 HB THR 41 7.592 -9.470 3.340 314 HG1 THR 41 1HG THR 41 8.154 -11.568 2.563 315 HG21 THR 41 1HG2 THR 41 5.981 -11.240 1.877 316 HG22 THR 41 2HG2 THR 41 5.562 -9.625 1.305 317 HG23 THR 41 3HG2 THR 41 5.453 -10.008 3.023 318 H ILE 42 H ILE 42 5.530 -7.958 0.382 319 HA ILE 42 HA ILE 42 5.044 -5.693 2.205 320 HB ILE 42 HB ILE 42 5.569 -4.889 -0.060 321 HG12 ILE 42 1HG1 ILE 42 2.621 -4.474 0.321 322 HG13 ILE 42 2HG1 ILE 42 3.758 -3.883 1.528 323 HG21 ILE 42 1HG2 ILE 42 4.683 -6.955 -1.197 324 HG22 ILE 42 2HG2 ILE 42 3.067 -6.283 -0.980 325 HG23 ILE 42 3HG2 ILE 42 4.255 -5.423 -1.959 326 HD11 ILE 42 1HD1 ILE 42 4.440 -2.192 0.231 327 HD12 ILE 42 2HD1 ILE 42 4.407 -3.165 -1.239 328 HD13 ILE 42 3HD1 ILE 42 2.915 -2.469 -0.609 329 H LYS 43 H LYS 43 2.918 -5.343 2.874 330 HA LYS 43 HA LYS 43 0.935 -7.373 2.125 331 HB2 LYS 43 1HB LYS 43 2.162 -7.910 4.313 332 HB3 LYS 43 2HB LYS 43 1.315 -6.525 4.990 333 HG2 LYS 43 1HG LYS 43 -0.131 -8.170 5.581 334 HG3 LYS 43 2HG LYS 43 -0.788 -7.775 3.991 335 HD2 LYS 43 1HD LYS 43 -0.651 -10.053 3.812 336 HD3 LYS 43 2HD LYS 43 0.942 -9.603 3.201 337 HE2 LYS 43 1HE LYS 43 1.079 -11.446 4.805 338 HE3 LYS 43 2HE LYS 43 1.915 -10.011 5.395 339 HZ1 LYS 43 1HZ LYS 43 0.255 -11.372 6.898 340 HZ2 LYS 43 2HZ LYS 43 -0.882 -10.358 6.165 341 HZ3 LYS 43 3HZ LYS 43 0.404 -9.693 7.038 342 H TRP 44 H TRP 44 -0.968 -6.503 1.633 343 HA TRP 44 HA TRP 44 -1.425 -3.688 2.284 344 HB2 TRP 44 1HB TRP 44 -2.979 -5.472 0.400 345 HB3 TRP 44 2HB TRP 44 -3.113 -3.722 0.544 346 HD1 TRP 44 HD TRP 44 -0.604 -6.408 -0.641 347 HE1 TRP 44 1HE TRP 44 0.951 -5.336 -2.389 348 HE3 TRP 44 3HE TRP 44 -2.251 -1.578 -0.337 349 HZ2 TRP 44 2HZ TRP 44 1.418 -2.780 -3.494 350 HZ3 TRP 44 3HZ TRP 44 -1.197 0.120 -1.774 351 HH2 TRP 44 HH TRP 44 0.599 -0.471 -3.318 352 H PHE 45 H PHE 45 -2.790 -3.095 3.831 353 HA PHE 45 HA PHE 45 -4.824 -5.032 4.723 354 HB2 PHE 45 1HB PHE 45 -3.069 -3.192 6.339 355 HB3 PHE 45 2HB PHE 45 -4.565 -3.855 6.990 356 HD1 PHE 45 1HD PHE 45 -4.813 -6.337 7.187 357 HD2 PHE 45 2HD PHE 45 -1.102 -4.472 6.255 358 HE1 PHE 45 1HE PHE 45 -3.623 -8.389 7.838 359 HE2 PHE 45 2HE PHE 45 0.094 -6.522 6.903 360 HZ PHE 45 HZ PHE 45 -1.166 -8.484 7.695 361 H LYS 46 H LYS 46 -6.608 -3.896 6.012 362 HA LYS 46 HA LYS 46 -7.161 -1.160 5.334 363 HB2 LYS 46 1HB LYS 46 -7.741 -2.462 3.242 364 HB3 LYS 46 2HB LYS 46 -9.002 -3.255 4.177 365 HG2 LYS 46 1HG LYS 46 -8.928 -0.283 4.122 366 HG3 LYS 46 2HG LYS 46 -9.518 -1.149 2.702 367 HD2 LYS 46 1HD LYS 46 -11.296 -2.105 3.879 368 HD3 LYS 46 2HD LYS 46 -10.551 -1.784 5.446 369 HE2 LYS 46 1HE LYS 46 -10.816 0.680 4.904 370 HE3 LYS 46 2HE LYS 46 -11.839 0.175 3.561 371 HZ1 LYS 46 1HZ LYS 46 -13.265 -0.976 5.175 372 HZ2 LYS 46 2HZ LYS 46 -13.191 0.689 5.460 373 HZ3 LYS 46 3HZ LYS 46 -12.314 -0.375 6.439 374 H GLY 47 H GLY 47 -8.826 -0.280 6.560 375 HA2 GLY 47 1HA GLY 47 -10.381 -0.142 8.251 376 HA3 GLY 47 2HA GLY 47 -10.681 -1.860 8.033 377 H LYS 48 H LYS 48 -10.543 -2.775 9.974 378 HA LYS 48 HA LYS 48 -8.374 -1.950 11.776 379 HB2 LYS 48 1HB LYS 48 -10.958 -2.079 12.381 380 HB3 LYS 48 2HB LYS 48 -10.563 -3.768 12.669 381 HG2 LYS 48 1HG LYS 48 -9.212 -1.411 13.969 382 HG3 LYS 48 2HG LYS 48 -10.442 -2.435 14.712 383 HD2 LYS 48 1HD LYS 48 -8.984 -4.357 14.576 384 HD3 LYS 48 2HD LYS 48 -7.776 -3.418 13.696 385 HE2 LYS 48 1HE LYS 48 -7.299 -3.745 16.137 386 HE3 LYS 48 2HE LYS 48 -7.323 -2.066 15.599 387 HZ1 LYS 48 1HZ LYS 48 -9.896 -2.940 16.463 388 HZ2 LYS 48 2HZ LYS 48 -8.987 -1.608 16.974 389 HZ3 LYS 48 3HZ LYS 48 -8.741 -3.123 17.686 390 H TRP 49 H TRP 49 -10.084 -4.925 10.798 391 HA TRP 49 HA TRP 49 -7.562 -6.390 11.217 392 HB2 TRP 49 1HB TRP 49 -10.269 -7.699 11.132 393 HB3 TRP 49 2HB TRP 49 -8.776 -8.297 11.851 394 HD1 TRP 49 HD TRP 49 -11.495 -5.626 12.496 395 HE1 TRP 49 1HE TRP 49 -11.589 -5.178 15.029 396 HE3 TRP 49 3HE TRP 49 -7.553 -8.524 13.979 397 HZ2 TRP 49 2HZ TRP 49 -10.177 -5.950 17.349 398 HZ3 TRP 49 3HZ TRP 49 -6.990 -8.614 16.373 399 HH2 TRP 49 HH TRP 49 -8.276 -7.352 18.021 400 H MET 50 H MET 50 -10.194 -5.733 9.021 401 HA MET 50 HA MET 50 -10.018 -7.666 7.123 402 HB2 MET 50 1HB MET 50 -11.332 -5.368 7.214 403 HB3 MET 50 2HB MET 50 -10.031 -4.844 6.154 404 HG2 MET 50 1HG MET 50 -10.616 -6.946 4.778 405 HG3 MET 50 2HG MET 50 -12.128 -6.917 5.682 406 HE1 MET 50 1HE MET 50 -10.860 -4.265 2.233 407 HE2 MET 50 2HE MET 50 -9.735 -5.046 3.343 408 HE3 MET 50 3HE MET 50 -10.799 -6.025 2.332 409 H ASP 51 H ASP 51 -8.313 -8.576 6.196 410 HA ASP 51 HA ASP 51 -5.978 -6.899 5.567 411 HB2 ASP 51 1HB ASP 51 -5.500 -8.740 7.109 412 HB3 ASP 51 2HB ASP 51 -6.153 -9.895 5.951 413 H LEU 52 H LEU 52 -6.339 -6.164 3.538 414 HA LEU 52 HA LEU 52 -7.706 -7.274 1.466 415 HB2 LEU 52 1HB LEU 52 -5.078 -5.845 1.128 416 HB3 LEU 52 2HB LEU 52 -6.401 -5.936 -0.034 417 HG LEU 52 HG LEU 52 -6.512 -4.496 2.617 418 HD11 LEU 52 1HD1 LEU 52 -5.128 -3.700 0.407 419 HD12 LEU 52 2HD1 LEU 52 -5.814 -2.620 1.620 420 HD13 LEU 52 3HD1 LEU 52 -6.706 -2.958 0.137 421 HD21 LEU 52 1HD2 LEU 52 -8.661 -5.437 1.674 422 HD22 LEU 52 2HD2 LEU 52 -8.442 -4.336 0.314 423 HD23 LEU 52 3HD2 LEU 52 -8.632 -3.695 1.946 424 H ALA 53 H ALA 53 -4.475 -8.105 2.550 425 HA ALA 53 HA ALA 53 -3.443 -9.531 0.467 426 HB1 ALA 53 1HB ALA 53 -1.981 -10.441 1.954 427 HB2 ALA 53 2HB ALA 53 -2.642 -9.158 2.968 428 HB3 ALA 53 3HB ALA 53 -3.238 -10.809 3.136 429 H SER 54 H SER 54 -5.667 -10.804 2.941 430 HA SER 54 HA SER 54 -5.941 -13.318 1.559 431 HB2 SER 54 1HB SER 54 -7.857 -12.523 3.700 432 HB3 SER 54 2HB SER 54 -7.047 -14.066 3.430 433 HG SER 54 HG SER 54 -5.143 -12.366 3.961 434 H LYS 55 H LYS 55 -7.316 -10.265 1.251 435 HA LYS 55 HA LYS 55 -9.915 -11.166 0.342 436 HB2 LYS 55 1HB LYS 55 -8.701 -8.405 0.156 437 HB3 LYS 55 2HB LYS 55 -10.399 -8.823 -0.024 438 HG2 LYS 55 1HG LYS 55 -8.849 -9.276 2.511 439 HG3 LYS 55 2HG LYS 55 -9.762 -7.803 2.174 440 HD2 LYS 55 1HD LYS 55 -11.765 -9.314 1.777 441 HD3 LYS 55 2HD LYS 55 -10.801 -10.610 2.487 442 HE2 LYS 55 1HE LYS 55 -10.454 -8.927 4.436 443 HE3 LYS 55 2HE LYS 55 -11.871 -8.123 3.763 444 HZ1 LYS 55 1HZ LYS 55 -11.693 -10.567 5.264 445 HZ2 LYS 55 2HZ LYS 55 -12.625 -10.721 3.861 446 HZ3 LYS 55 3HZ LYS 55 -13.020 -9.547 5.013 447 H ALA 56 H ALA 56 -6.815 -10.617 -0.992 448 HA ALA 56 HA ALA 56 -7.547 -9.936 -3.641 449 HB1 ALA 56 1HB ALA 56 -5.357 -9.578 -3.677 450 HB2 ALA 56 2HB ALA 56 -5.127 -10.517 -2.202 451 HB3 ALA 56 3HB ALA 56 -5.122 -11.323 -3.770 452 H GLY 57 H GLY 57 -8.741 -11.163 -4.941 453 HA2 GLY 57 1HA GLY 57 -7.991 -13.940 -5.365 454 HA3 GLY 57 2HA GLY 57 -9.609 -13.683 -4.731 455 H LYS 58 H LYS 58 -10.957 -12.087 -6.007 456 HA LYS 58 HA LYS 58 -10.391 -12.362 -8.886 457 HB2 LYS 58 1HB LYS 58 -12.495 -13.121 -9.339 458 HB3 LYS 58 2HB LYS 58 -12.329 -13.759 -7.709 459 HG2 LYS 58 1HG LYS 58 -13.621 -11.976 -6.798 460 HG3 LYS 58 2HG LYS 58 -13.619 -11.116 -8.339 461 HD2 LYS 58 1HD LYS 58 -15.672 -12.091 -8.483 462 HD3 LYS 58 2HD LYS 58 -14.704 -13.399 -9.168 463 HE2 LYS 58 1HE LYS 58 -15.896 -14.585 -7.629 464 HE3 LYS 58 2HE LYS 58 -14.530 -14.107 -6.624 465 HZ1 LYS 58 1HZ LYS 58 -16.542 -13.687 -5.438 466 HZ2 LYS 58 2HZ LYS 58 -17.199 -12.814 -6.729 467 HZ3 LYS 58 3HZ LYS 58 -15.879 -12.192 -5.874 468 H HIS 59 H HIS 59 -12.247 -10.535 -6.464 469 HA HIS 59 HA HIS 59 -12.674 -8.318 -8.237 470 HB2 HIS 59 1HB HIS 59 -13.179 -8.754 -5.298 471 HB3 HIS 59 2HB HIS 59 -13.472 -7.201 -6.075 472 HD1 HIS 59 1HD HIS 59 -15.049 -7.620 -8.422 473 HD2 HIS 59 2HD HIS 59 -15.447 -10.196 -5.187 474 HE1 HIS 59 1HE HIS 59 -17.298 -8.711 -8.704 475 HE2 HIS 59 2HE HIS 59 -17.552 -10.202 -6.690 476 H LEU 60 H LEU 60 -10.138 -9.333 -6.209 477 HA LEU 60 HA LEU 60 -8.817 -6.733 -6.557 478 HB2 LEU 60 1HB LEU 60 -9.466 -6.682 -4.291 479 HB3 LEU 60 2HB LEU 60 -9.016 -8.368 -4.045 480 HG LEU 60 HG LEU 60 -6.606 -7.388 -4.637 481 HD11 LEU 60 1HD1 LEU 60 -6.958 -5.151 -3.016 482 HD12 LEU 60 2HD1 LEU 60 -8.249 -5.058 -4.214 483 HD13 LEU 60 3HD1 LEU 60 -6.568 -5.171 -4.736 484 HD21 LEU 60 1HD2 LEU 60 -7.896 -8.330 -2.397 485 HD22 LEU 60 2HD2 LEU 60 -7.272 -6.766 -1.872 486 HD23 LEU 60 3HD2 LEU 60 -6.172 -7.979 -2.529 487 H GLN 61 H GLN 61 -6.602 -6.807 -6.905 488 HA GLN 61 HA GLN 61 -5.227 -9.362 -6.834 489 HB2 GLN 61 1HB GLN 61 -5.664 -7.826 -9.398 490 HB3 GLN 61 2HB GLN 61 -4.467 -9.101 -9.212 491 HG2 GLN 61 1HG GLN 61 -7.379 -9.559 -8.662 492 HG3 GLN 61 2HG GLN 61 -6.686 -9.723 -10.275 493 HE21 GLN 61 1HE2 GLN 61 -7.557 -11.392 -7.617 494 HE22 GLN 61 2HE2 GLN 61 -6.515 -12.762 -7.764 495 H LEU 62 H LEU 62 -3.238 -9.051 -6.091 496 HA LEU 62 HA LEU 62 -2.163 -6.346 -6.008 497 HB2 LEU 62 1HB LEU 62 -0.949 -8.828 -4.820 498 HB3 LEU 62 2HB LEU 62 -0.625 -7.150 -4.389 499 HG LEU 62 HG LEU 62 -3.206 -8.624 -3.865 500 HD11 LEU 62 1HD1 LEU 62 -0.778 -8.094 -2.210 501 HD12 LEU 62 2HD1 LEU 62 -1.746 -9.561 -2.348 502 HD13 LEU 62 3HD1 LEU 62 -2.365 -8.178 -1.446 503 HD21 LEU 62 1HD2 LEU 62 -2.316 -5.921 -2.876 504 HD22 LEU 62 2HD2 LEU 62 -3.883 -6.692 -2.633 505 HD23 LEU 62 3HD2 LEU 62 -3.400 -6.163 -4.246 506 H LYS 63 H LYS 63 0.162 -6.012 -6.462 507 HA LYS 63 HA LYS 63 1.247 -7.821 -8.498 508 HB2 LYS 63 1HB LYS 63 -0.042 -5.656 -9.348 509 HB3 LYS 63 2HB LYS 63 1.498 -4.891 -8.982 510 HG2 LYS 63 1HG LYS 63 2.649 -6.280 -10.530 511 HG3 LYS 63 2HG LYS 63 1.230 -7.306 -10.754 512 HD2 LYS 63 1HD LYS 63 0.067 -5.609 -11.916 513 HD3 LYS 63 2HD LYS 63 1.222 -4.371 -11.418 514 HE2 LYS 63 1HE LYS 63 2.907 -5.973 -12.696 515 HE3 LYS 63 2HE LYS 63 1.434 -6.435 -13.546 516 HZ1 LYS 63 1HZ LYS 63 1.775 -3.589 -13.256 517 HZ2 LYS 63 2HZ LYS 63 1.364 -4.496 -14.624 518 HZ3 LYS 63 3HZ LYS 63 2.987 -4.325 -14.179 519 H GLU 64 H GLU 64 3.502 -7.793 -8.698 520 HA GLU 64 HA GLU 64 5.055 -6.007 -7.022 521 HB2 GLU 64 1HB GLU 64 4.701 -7.604 -5.350 522 HB3 GLU 64 2HB GLU 64 4.774 -8.945 -6.483 523 HG2 GLU 64 1HG GLU 64 7.173 -7.243 -5.925 524 HG3 GLU 64 2HG GLU 64 6.739 -8.599 -4.887 525 H THR 65 H THR 65 6.910 -5.505 -7.994 526 HA THR 65 HA THR 65 8.130 -7.411 -9.855 527 HB THR 65 HB THR 65 6.679 -5.826 -11.158 528 HG1 THR 65 1HG THR 65 8.256 -6.613 -12.407 529 HG21 THR 65 1HG2 THR 65 7.756 -3.527 -11.488 530 HG22 THR 65 2HG2 THR 65 8.601 -3.841 -9.972 531 HG23 THR 65 3HG2 THR 65 6.839 -3.783 -10.005 532 H PHE 66 H PHE 66 10.361 -6.923 -10.364 533 HA PHE 66 HA PHE 66 11.647 -5.113 -8.432 534 HB2 PHE 66 1HB PHE 66 12.034 -7.269 -7.523 535 HB3 PHE 66 2HB PHE 66 12.380 -7.958 -9.106 536 HD1 PHE 66 1HD PHE 66 13.656 -5.253 -6.874 537 HD2 PHE 66 2HD PHE 66 14.573 -8.380 -9.611 538 HE1 PHE 66 1HE PHE 66 16.058 -4.859 -6.514 539 HE2 PHE 66 2HE PHE 66 16.976 -7.993 -9.255 540 HZ PHE 66 HZ PHE 66 17.722 -6.231 -7.704 541 H GLU 67 H GLU 67 13.477 -4.035 -9.131 542 HA GLU 67 HA GLU 67 14.210 -4.409 -11.958 543 HB2 GLU 67 1HB GLU 67 13.396 -1.932 -10.518 544 HB3 GLU 67 2HB GLU 67 14.664 -1.796 -11.728 545 HG2 GLU 67 1HG GLU 67 13.141 -2.855 -13.371 546 HG3 GLU 67 2HG GLU 67 11.869 -2.824 -12.151 547 H ARG 68 H ARG 68 16.076 -5.543 -11.469 548 HA ARG 68 HA ARG 68 17.952 -4.872 -9.507 549 HB2 ARG 68 1HB ARG 68 19.546 -6.103 -11.220 550 HB3 ARG 68 2HB ARG 68 18.320 -6.984 -10.318 551 HG2 ARG 68 1HG ARG 68 17.515 -5.874 -12.939 552 HG3 ARG 68 2HG ARG 68 18.641 -7.233 -12.947 553 HD2 ARG 68 1HD ARG 68 16.251 -7.418 -11.194 554 HD3 ARG 68 2HD ARG 68 16.009 -7.577 -12.934 555 HE ARG 68 HE ARG 68 17.225 -9.485 -11.178 556 HH11 ARG 68 2HH1 ARG 68 17.128 -8.303 -14.451 557 HH12 ARG 68 1HH1 ARG 68 17.671 -9.795 -15.145 558 HH21 ARG 68 2HH2 ARG 68 17.941 -11.455 -12.079 559 HH22 ARG 68 1HH2 ARG 68 18.132 -11.587 -13.795 560 H HIS 69 H HIS 69 17.342 -3.507 -12.623 561 HA HIS 69 HA HIS 69 19.781 -2.390 -13.296 562 HB2 HIS 69 1HB HIS 69 17.177 -0.911 -13.634 563 HB3 HIS 69 2HB HIS 69 18.592 -0.884 -14.683 564 HD1 HIS 69 1HD HIS 69 15.500 -2.812 -13.955 565 HD2 HIS 69 2HD HIS 69 18.834 -3.105 -16.416 566 HE1 HIS 69 1HE HIS 69 14.939 -4.595 -15.637 567 HE2 HIS 69 2HE HIS 69 17.004 -4.815 -17.062 568 H SER 70 H SER 70 17.411 -1.312 -10.936 569 HA SER 70 HA SER 70 19.332 0.736 -10.046 570 HB2 SER 70 1HB SER 70 16.317 0.929 -10.174 571 HB3 SER 70 2HB SER 70 17.332 2.072 -9.295 572 HG SER 70 HG SER 70 16.722 2.585 -11.566 573 H ARG 71 H ARG 71 17.944 -2.120 -9.297 574 HA ARG 71 HA ARG 71 17.702 -3.339 -7.392 575 HB2 ARG 71 1HB ARG 71 19.525 -1.145 -6.431 576 HB3 ARG 71 2HB ARG 71 18.976 -2.421 -5.352 577 HG2 ARG 71 1HG ARG 71 19.868 -3.964 -7.303 578 HG3 ARG 71 2HG ARG 71 20.863 -2.545 -7.635 579 HD2 ARG 71 1HD ARG 71 20.676 -3.508 -4.829 580 HD3 ARG 71 2HD ARG 71 21.648 -4.441 -5.966 581 HE ARG 71 HE ARG 71 22.294 -1.896 -4.832 582 HH11 ARG 71 2HH1 ARG 71 22.740 -3.947 -7.610 583 HH12 ARG 71 1HH1 ARG 71 24.245 -3.222 -8.067 584 HH21 ARG 71 2HH2 ARG 71 24.275 -0.933 -5.423 585 HH22 ARG 71 1HH2 ARG 71 25.118 -1.508 -6.822 586 H VAL 72 H VAL 72 15.549 -1.772 -8.007 587 HA VAL 72 HA VAL 72 14.543 -1.071 -5.334 588 HB VAL 72 HB VAL 72 14.021 0.512 -7.854 589 HG11 VAL 72 1HG1 VAL 72 12.104 0.238 -6.204 590 HG12 VAL 72 2HG1 VAL 72 13.083 1.183 -5.079 591 HG13 VAL 72 3HG1 VAL 72 12.572 1.888 -6.614 592 HG21 VAL 72 1HG2 VAL 72 16.178 1.078 -7.062 593 HG22 VAL 72 2HG2 VAL 72 15.098 2.352 -6.495 594 HG23 VAL 72 3HG2 VAL 72 15.637 1.094 -5.383 595 H TYR 73 H TYR 73 12.618 -1.936 -4.847 596 HA TYR 73 HA TYR 73 11.307 -3.573 -6.868 597 HB2 TYR 73 1HB TYR 73 10.977 -3.359 -3.875 598 HB3 TYR 73 2HB TYR 73 9.943 -4.363 -4.884 599 HD1 TYR 73 2HD TYR 73 13.360 -3.916 -3.592 600 HD2 TYR 73 1HD TYR 73 10.733 -6.443 -5.786 601 HE1 TYR 73 2HE TYR 73 15.000 -5.743 -3.440 602 HE2 TYR 73 1HE TYR 73 12.365 -8.277 -5.640 603 HH TYR 73 HH TYR 73 15.204 -8.054 -3.637 604 H THR 74 H THR 74 9.014 -3.507 -7.200 605 HA THR 74 HA THR 74 7.690 -1.011 -6.413 606 HB THR 74 HB THR 74 7.766 -2.060 -9.249 607 HG1 THR 74 1HG THR 74 8.750 0.409 -8.226 608 HG21 THR 74 1HG2 THR 74 6.494 0.482 -8.247 609 HG22 THR 74 2HG2 THR 74 5.596 -1.020 -8.468 610 HG23 THR 74 3HG2 THR 74 6.363 -0.238 -9.850 611 H PHE 75 H PHE 75 6.058 -1.769 -5.211 612 HA PHE 75 HA PHE 75 4.549 -4.094 -6.182 613 HB2 PHE 75 1HB PHE 75 4.234 -2.862 -3.457 614 HB3 PHE 75 2HB PHE 75 3.872 -4.507 -3.970 615 HD1 PHE 75 1HD PHE 75 5.898 -5.940 -4.724 616 HD2 PHE 75 2HD PHE 75 6.212 -2.416 -2.357 617 HE1 PHE 75 1HE PHE 75 8.106 -6.676 -3.926 618 HE2 PHE 75 2HE PHE 75 8.421 -3.146 -1.557 619 HZ PHE 75 HZ PHE 75 9.371 -5.278 -2.342 620 H GLU 76 H GLU 76 2.398 -3.982 -6.630 621 HA GLU 76 HA GLU 76 1.060 -1.391 -6.241 622 HB2 GLU 76 1HB GLU 76 0.725 -3.067 -8.726 623 HB3 GLU 76 2HB GLU 76 0.144 -1.432 -8.442 624 HG2 GLU 76 1HG GLU 76 2.196 -0.488 -8.794 625 HG3 GLU 76 2HG GLU 76 3.070 -1.945 -8.323 626 H MET 77 H MET 77 -1.353 -1.582 -6.547 627 HA MET 77 HA MET 77 -2.361 -4.231 -5.782 628 HB2 MET 77 1HB MET 77 -2.163 -3.059 -3.698 629 HB3 MET 77 2HB MET 77 -2.919 -1.621 -4.371 630 HG2 MET 77 1HG MET 77 -5.037 -2.631 -4.430 631 HG3 MET 77 2HG MET 77 -4.364 -4.240 -4.181 632 HE1 MET 77 1HE MET 77 -5.444 -0.832 -2.077 633 HE2 MET 77 2HE MET 77 -4.054 -0.977 -1.001 634 HE3 MET 77 3HE MET 77 -3.809 -0.819 -2.741 635 H GLN 78 H GLN 78 -3.401 -4.629 -7.682 636 HA GLN 78 HA GLN 78 -5.060 -2.618 -8.926 637 HB2 GLN 78 1HB GLN 78 -3.672 -4.730 -9.916 638 HB3 GLN 78 2HB GLN 78 -5.287 -5.420 -9.827 639 HG2 GLN 78 1HG GLN 78 -6.145 -3.553 -11.166 640 HG3 GLN 78 2HG GLN 78 -4.511 -2.901 -11.280 641 HE21 GLN 78 1HE2 GLN 78 -3.052 -5.183 -11.695 642 HE22 GLN 78 2HE2 GLN 78 -3.477 -5.873 -13.220 643 H ILE 79 H ILE 79 -6.975 -2.160 -8.069 644 HA ILE 79 HA ILE 79 -8.532 -4.310 -6.816 645 HB ILE 79 HB ILE 79 -8.925 -1.320 -6.646 646 HG12 ILE 79 1HG1 ILE 79 -7.464 -3.306 -4.963 647 HG13 ILE 79 2HG1 ILE 79 -7.039 -1.644 -5.357 648 HG21 ILE 79 1HG2 ILE 79 -10.744 -1.656 -5.306 649 HG22 ILE 79 2HG2 ILE 79 -10.895 -3.054 -6.369 650 HG23 ILE 79 3HG2 ILE 79 -10.190 -3.240 -4.763 651 HD11 ILE 79 1HD1 ILE 79 -9.064 -1.030 -3.879 652 HD12 ILE 79 2HD1 ILE 79 -8.891 -2.672 -3.256 653 HD13 ILE 79 3HD1 ILE 79 -7.555 -1.529 -3.115 654 H ILE 80 H ILE 80 -9.936 -5.268 -8.126 655 HA ILE 80 HA ILE 80 -11.159 -3.742 -10.305 656 HB ILE 80 HB ILE 80 -11.521 -6.690 -9.859 657 HG12 ILE 80 1HG1 ILE 80 -9.563 -6.655 -11.698 658 HG13 ILE 80 2HG1 ILE 80 -9.103 -5.227 -10.777 659 HG21 ILE 80 1HG2 ILE 80 -12.321 -4.787 -11.834 660 HG22 ILE 80 2HG2 ILE 80 -11.266 -5.989 -12.575 661 HG23 ILE 80 3HG2 ILE 80 -12.719 -6.501 -11.717 662 HD11 ILE 80 1HD1 ILE 80 -7.964 -6.708 -9.545 663 HD12 ILE 80 2HD1 ILE 80 -9.529 -6.995 -8.782 664 HD13 ILE 80 3HD1 ILE 80 -8.962 -8.066 -10.064 665 H LYS 81 H LYS 81 -13.293 -3.299 -10.419 666 HA LYS 81 HA LYS 81 -15.424 -2.933 -9.709 667 HB2 LYS 81 1HB LYS 81 -15.169 -5.712 -8.546 668 HB3 LYS 81 2HB LYS 81 -16.668 -4.867 -8.912 669 HG2 LYS 81 1HG LYS 81 -15.602 -4.782 -11.332 670 HG3 LYS 81 2HG LYS 81 -14.746 -6.204 -10.731 671 HD2 LYS 81 1HD LYS 81 -17.097 -6.997 -9.981 672 HD3 LYS 81 2HD LYS 81 -17.686 -5.791 -11.128 673 HE2 LYS 81 1HE LYS 81 -16.015 -6.940 -12.764 674 HE3 LYS 81 2HE LYS 81 -16.120 -8.287 -11.632 675 HZ1 LYS 81 1HZ LYS 81 -18.114 -7.256 -13.479 676 HZ2 LYS 81 2HZ LYS 81 -18.692 -7.747 -11.967 677 HZ3 LYS 81 3HZ LYS 81 -17.848 -8.839 -12.945 678 H ALA 82 H ALA 82 -13.692 -1.675 -8.112 679 HA ALA 82 HA ALA 82 -13.595 -2.265 -5.414 680 HB1 ALA 82 1HB ALA 82 -12.265 -0.486 -5.860 681 HB2 ALA 82 2HB ALA 82 -13.400 0.216 -7.013 682 HB3 ALA 82 3HB ALA 82 -13.676 0.399 -5.281 683 H LYS 83 H LYS 83 -15.192 -2.676 -4.047 684 HA LYS 83 HA LYS 83 -17.850 -1.588 -4.517 685 HB2 LYS 83 1HB LYS 83 -17.100 -3.361 -2.211 686 HB3 LYS 83 2HB LYS 83 -18.652 -3.207 -3.022 687 HG2 LYS 83 1HG LYS 83 -17.874 -4.408 -4.919 688 HG3 LYS 83 2HG LYS 83 -16.208 -4.361 -4.339 689 HD2 LYS 83 1HD LYS 83 -17.041 -5.656 -2.313 690 HD3 LYS 83 2HD LYS 83 -18.528 -5.920 -3.228 691 HE2 LYS 83 1HE LYS 83 -16.969 -6.783 -5.088 692 HE3 LYS 83 2HE LYS 83 -15.751 -6.887 -3.818 693 HZ1 LYS 83 1HZ LYS 83 -18.402 -8.225 -3.752 694 HZ2 LYS 83 2HZ LYS 83 -17.187 -8.362 -2.583 695 HZ3 LYS 83 3HZ LYS 83 -16.939 -8.983 -4.138 696 H ASP 84 H ASP 84 -19.068 -0.981 -2.400 697 HA ASP 84 HA ASP 84 -17.902 1.390 -1.410 698 HB2 ASP 84 1HB ASP 84 -19.910 1.761 -0.337 699 HB3 ASP 84 2HB ASP 84 -20.416 0.620 -1.581 700 H ASN 85 H ASN 85 -17.286 -1.781 -0.606 701 HA ASN 85 HA ASN 85 -16.733 -1.287 2.208 702 HB2 ASN 85 1HB ASN 85 -17.667 -3.485 1.128 703 HB3 ASN 85 2HB ASN 85 -15.971 -3.811 0.781 704 HD21 ASN 85 1HD2 ASN 85 -14.809 -4.755 2.302 705 HD22 ASN 85 2HD2 ASN 85 -15.253 -4.904 3.965 706 H PHE 86 H PHE 86 -15.149 -0.971 -0.747 707 HA PHE 86 HA PHE 86 -12.489 -1.536 0.233 708 HB2 PHE 86 1HB PHE 86 -13.503 -0.372 -2.365 709 HB3 PHE 86 2HB PHE 86 -11.796 -0.620 -2.013 710 HD1 PHE 86 2HD PHE 86 -14.927 -2.628 -1.670 711 HD2 PHE 86 1HD PHE 86 -10.900 -2.454 -3.038 712 HE1 PHE 86 2HE PHE 86 -15.103 -4.947 -2.473 713 HE2 PHE 86 1HE PHE 86 -11.070 -4.773 -3.844 714 HZ PHE 86 HZ PHE 86 -13.173 -6.023 -3.561 715 H ALA 87 H ALA 87 -14.562 0.891 0.828 716 HA ALA 87 HA ALA 87 -12.566 3.034 0.719 717 HB1 ALA 87 1HB ALA 87 -15.350 2.971 0.299 718 HB2 ALA 87 2HB ALA 87 -15.075 3.917 1.763 719 HB3 ALA 87 3HB ALA 87 -14.275 4.369 0.258 720 H GLY 88 H GLY 88 -11.552 3.756 2.488 721 HA2 GLY 88 1HA GLY 88 -12.443 4.129 5.019 722 HA3 GLY 88 2HA GLY 88 -12.016 2.424 5.007 723 H ASN 89 H ASN 89 -10.162 2.214 6.076 724 HA ASN 89 HA ASN 89 -7.989 4.109 5.464 725 HB2 ASN 89 1HB ASN 89 -8.653 4.324 7.778 726 HB3 ASN 89 2HB ASN 89 -8.555 2.582 8.012 727 HD21 ASN 89 1HD2 ASN 89 -6.451 5.104 6.658 728 HD22 ASN 89 2HD2 ASN 89 -5.046 4.647 7.554 729 H TYR 90 H TYR 90 -6.327 3.288 4.392 730 HA TYR 90 HA TYR 90 -5.986 0.373 4.332 731 HB2 TYR 90 1HB TYR 90 -5.219 2.577 2.439 732 HB3 TYR 90 2HB TYR 90 -4.436 1.004 2.350 733 HD1 TYR 90 2HD TYR 90 -7.954 2.218 2.767 734 HD2 TYR 90 1HD TYR 90 -5.267 -0.330 0.672 735 HE1 TYR 90 2HE TYR 90 -9.823 1.371 1.412 736 HE2 TYR 90 1HE TYR 90 -7.128 -1.183 -0.690 737 HH TYR 90 HH TYR 90 -10.395 -0.583 0.081 738 H ARG 91 H ARG 91 -4.170 -0.600 5.042 739 HA ARG 91 HA ARG 91 -1.962 1.123 5.956 740 HB2 ARG 91 1HB ARG 91 -3.302 0.311 7.864 741 HB3 ARG 91 2HB ARG 91 -3.019 -1.345 7.347 742 HG2 ARG 91 1HG ARG 91 -0.569 -0.925 7.639 743 HG3 ARG 91 2HG ARG 91 -0.992 0.626 8.368 744 HD2 ARG 91 1HD ARG 91 -0.643 -0.973 10.121 745 HD3 ARG 91 2HD ARG 91 -2.364 -0.598 10.037 746 HE ARG 91 HE ARG 91 -1.756 -2.881 8.473 747 HH11 ARG 91 2HH1 ARG 91 -2.154 -1.826 11.767 748 HH12 ARG 91 1HH1 ARG 91 -2.633 -3.387 12.346 749 HH21 ARG 91 2HH2 ARG 91 -2.386 -4.941 9.224 750 HH22 ARG 91 1HH2 ARG 91 -2.764 -5.158 10.899 751 H CYS 92 H CYS 92 -0.105 0.662 4.995 752 HA CYS 92 HA CYS 92 0.281 -2.049 3.908 753 HB2 CYS 92 1HB CYS 92 0.170 0.081 2.372 754 HB3 CYS 92 2HB CYS 92 1.829 0.312 2.911 755 HG CYS 92 HG CYS 92 0.552 -2.094 0.901 756 H GLU 93 H GLU 93 2.109 -3.161 4.396 757 HA GLU 93 HA GLU 93 4.116 -1.802 6.066 758 HB2 GLU 93 1HB GLU 93 2.655 -4.365 6.561 759 HB3 GLU 93 2HB GLU 93 4.304 -4.193 7.144 760 HG2 GLU 93 1HG GLU 93 1.912 -2.535 7.883 761 HG3 GLU 93 2HG GLU 93 2.848 -3.609 8.921 762 H VAL 94 H VAL 94 6.180 -2.121 5.494 763 HA VAL 94 HA VAL 94 6.770 -4.278 3.574 764 HB VAL 94 HB VAL 94 6.801 -2.240 2.317 765 HG11 VAL 94 1HG1 VAL 94 8.872 -0.705 3.425 766 HG12 VAL 94 2HG1 VAL 94 7.155 -0.303 3.346 767 HG13 VAL 94 3HG1 VAL 94 7.804 -1.128 4.764 768 HG21 VAL 94 1HG2 VAL 94 8.946 -3.945 2.514 769 HG22 VAL 94 2HG2 VAL 94 8.698 -2.746 1.245 770 HG23 VAL 94 3HG2 VAL 94 9.695 -2.354 2.645 771 H THR 95 H THR 95 8.040 -5.712 4.538 772 HA THR 95 HA THR 95 9.990 -4.784 6.532 773 HB THR 95 HB THR 95 9.222 -7.658 6.055 774 HG1 THR 95 1HG THR 95 7.479 -5.949 6.711 775 HG21 THR 95 1HG2 THR 95 10.070 -6.392 8.639 776 HG22 THR 95 2HG2 THR 95 11.265 -6.891 7.442 777 HG23 THR 95 3HG2 THR 95 10.170 -8.081 8.143 778 H TYR 96 H TYR 96 11.960 -4.458 5.742 779 HA TYR 96 HA TYR 96 12.967 -6.306 3.679 780 HB2 TYR 96 1HB TYR 96 12.705 -3.990 2.870 781 HB3 TYR 96 2HB TYR 96 13.769 -3.427 4.154 782 HD1 TYR 96 2HD TYR 96 14.196 -6.469 2.071 783 HD2 TYR 96 1HD TYR 96 15.561 -2.530 2.923 784 HE1 TYR 96 2HE TYR 96 16.143 -6.835 0.614 785 HE2 TYR 96 1HE TYR 96 17.511 -2.884 1.467 786 HH TYR 96 HH TYR 96 17.948 -5.928 -0.309 787 H LYS 97 H LYS 97 14.840 -7.356 4.037 788 HA LYS 97 HA LYS 97 15.846 -8.013 6.414 789 HB2 LYS 97 1HB LYS 97 17.926 -7.416 4.367 790 HB3 LYS 97 2HB LYS 97 17.701 -8.857 5.350 791 HG2 LYS 97 1HG LYS 97 16.191 -8.065 2.875 792 HG3 LYS 97 2HG LYS 97 17.253 -9.456 3.103 793 HD2 LYS 97 1HD LYS 97 14.869 -9.158 4.869 794 HD3 LYS 97 2HD LYS 97 14.637 -9.715 3.210 795 HE2 LYS 97 1HE LYS 97 15.776 -11.675 3.566 796 HE3 LYS 97 2HE LYS 97 16.760 -10.994 4.861 797 HZ1 LYS 97 1HZ LYS 97 15.382 -12.003 6.256 798 HZ2 LYS 97 2HZ LYS 97 14.290 -12.400 5.027 799 HZ3 LYS 97 3HZ LYS 97 14.185 -10.898 5.799 800 H ASP 98 H ASP 98 16.917 -5.153 4.597 801 HA ASP 98 HA ASP 98 18.792 -4.256 6.498 802 HB2 ASP 98 1HB ASP 98 17.304 -2.934 4.249 803 HB3 ASP 98 2HB ASP 98 18.304 -1.975 5.337 804 H LYS 99 H LYS 99 15.745 -2.581 5.741 805 HA LYS 99 HA LYS 99 15.238 -2.290 8.616 806 HB2 LYS 99 1HB LYS 99 15.073 -0.013 6.634 807 HB3 LYS 99 2HB LYS 99 14.719 0.074 8.354 808 HG2 LYS 99 1HG LYS 99 16.971 -0.153 8.946 809 HG3 LYS 99 2HG LYS 99 17.422 -0.740 7.344 810 HD2 LYS 99 1HD LYS 99 17.270 1.383 6.391 811 HD3 LYS 99 2HD LYS 99 16.278 2.007 7.711 812 HE2 LYS 99 1HE LYS 99 18.305 1.637 9.200 813 HE3 LYS 99 2HE LYS 99 19.224 1.402 7.714 814 HZ1 LYS 99 1HZ LYS 99 18.342 3.638 7.018 815 HZ2 LYS 99 2HZ LYS 99 19.462 3.654 8.285 816 HZ3 LYS 99 3HZ LYS 99 17.813 3.846 8.611 817 H PHE 100 H PHE 100 13.015 -1.649 9.110 818 HA PHE 100 HA PHE 100 11.141 -2.525 7.011 819 HB2 PHE 100 1HB PHE 100 10.836 -4.185 8.562 820 HB3 PHE 100 2HB PHE 100 11.315 -3.161 9.911 821 HD1 PHE 100 2HD PHE 100 9.702 -1.614 10.927 822 HD2 PHE 100 1HD PHE 100 8.564 -4.345 7.867 823 HE1 PHE 100 2HE PHE 100 7.336 -1.281 11.514 824 HE2 PHE 100 1HE PHE 100 6.196 -4.016 8.449 825 HZ PHE 100 HZ PHE 100 5.580 -2.484 10.275 826 H ASP 101 H ASP 101 9.908 -0.943 6.270 827 HA ASP 101 HA ASP 101 9.311 1.335 8.035 828 HB2 ASP 101 1HB ASP 101 10.562 1.717 5.846 829 HB3 ASP 101 2HB ASP 101 9.056 1.308 5.029 830 H SER 102 H SER 102 7.173 2.451 7.389 831 HA SER 102 HA SER 102 5.100 0.507 6.686 832 HB2 SER 102 1HB SER 102 3.712 1.322 8.621 833 HB3 SER 102 2HB SER 102 5.128 0.380 9.087 834 HG SER 102 HG SER 102 4.810 3.195 9.169 835 H CYS 103 H CYS 103 2.939 1.607 6.419 836 HA CYS 103 HA CYS 103 2.947 4.438 5.921 837 HB2 CYS 103 1HB CYS 103 4.005 3.824 3.871 838 HB3 CYS 103 2HB CYS 103 2.897 2.479 3.625 839 HG CYS 103 HG CYS 103 1.947 5.766 3.533 840 H SER 104 H SER 104 0.877 5.290 5.655 841 HA SER 104 HA SER 104 -1.371 3.419 5.614 842 HB2 SER 104 1HB SER 104 -2.430 4.476 7.545 843 HB3 SER 104 2HB SER 104 -0.850 3.837 8.000 844 HG SER 104 HG SER 104 -1.638 6.513 7.602 845 H PHE 105 H PHE 105 -3.051 4.136 4.445 846 HA PHE 105 HA PHE 105 -3.244 7.002 3.850 847 HB2 PHE 105 1HB PHE 105 -3.936 6.146 1.456 848 HB3 PHE 105 2HB PHE 105 -2.240 6.384 1.865 849 HD1 PHE 105 1HD PHE 105 -1.006 4.292 2.814 850 HD2 PHE 105 2HD PHE 105 -4.606 4.140 0.548 851 HE1 PHE 105 1HE PHE 105 -0.534 1.949 2.227 852 HE2 PHE 105 2HE PHE 105 -4.140 1.797 -0.041 853 HZ PHE 105 HZ PHE 105 -2.103 0.699 0.799 854 H ASP 106 H ASP 106 -5.376 7.262 2.402 855 HA ASP 106 HA ASP 106 -7.498 5.645 3.647 856 HB2 ASP 106 1HB ASP 106 -8.885 7.700 3.793 857 HB3 ASP 106 2HB ASP 106 -7.445 7.776 4.804 858 H LEU 107 H LEU 107 -8.838 4.751 2.228 859 HA LEU 107 HA LEU 107 -8.832 5.770 -0.529 860 HB2 LEU 107 1HB LEU 107 -8.141 3.379 0.008 861 HB3 LEU 107 2HB LEU 107 -9.840 3.088 0.378 862 HG LEU 107 HG LEU 107 -8.984 2.408 -1.932 863 HD11 LEU 107 1HD1 LEU 107 -11.124 2.418 -2.567 864 HD12 LEU 107 2HD1 LEU 107 -11.241 4.175 -2.467 865 HD13 LEU 107 3HD1 LEU 107 -11.444 3.193 -1.016 866 HD21 LEU 107 1HD2 LEU 107 -8.498 3.970 -3.521 867 HD22 LEU 107 2HD2 LEU 107 -7.897 4.813 -2.093 868 HD23 LEU 107 3HD2 LEU 107 -9.480 5.219 -2.756 869 H GLU 108 H GLU 108 -10.692 6.353 -1.543 870 HA GLU 108 HA GLU 108 -13.165 6.229 0.056 871 HB2 GLU 108 1HB GLU 108 -12.094 8.415 -1.715 872 HB3 GLU 108 2HB GLU 108 -13.797 8.322 -1.291 873 HG2 GLU 108 1HG GLU 108 -13.095 9.710 0.351 874 HG3 GLU 108 2HG GLU 108 -12.807 8.168 1.154 875 H VAL 109 H VAL 109 -15.113 5.846 -1.029 876 HA VAL 109 HA VAL 109 -14.845 4.906 -3.809 877 HB VAL 109 HB VAL 109 -16.610 3.647 -1.706 878 HG11 VAL 109 1HG1 VAL 109 -15.874 2.373 -4.300 879 HG12 VAL 109 2HG1 VAL 109 -17.309 2.145 -3.298 880 HG13 VAL 109 3HG1 VAL 109 -17.136 3.604 -4.274 881 HG21 VAL 109 1HG2 VAL 109 -14.036 3.391 -1.504 882 HG22 VAL 109 2HG2 VAL 109 -15.056 1.956 -1.397 883 HG23 VAL 109 3HG2 VAL 109 -14.206 2.324 -2.898 884 H HIS 110 H HIS 110 -16.084 6.018 -5.155 885 HA HIS 110 HA HIS 110 -18.435 7.420 -4.094 886 HB2 HIS 110 1HB HIS 110 -16.724 7.875 -6.534 887 HB3 HIS 110 2HB HIS 110 -18.281 8.669 -6.319 888 HD1 HIS 110 1HD HIS 110 -17.046 10.970 -6.257 889 HD2 HIS 110 2HD HIS 110 -16.049 8.379 -3.166 890 HE1 HIS 110 1HE HIS 110 -15.850 12.383 -4.555 891 HE2 HIS 110 2HE HIS 110 -15.181 10.777 -2.733 892 H GLU 111 H GLU 111 -20.457 7.152 -4.963 893 HA GLU 111 HA GLU 111 -21.071 4.660 -6.121 894 HB2 GLU 111 1HB GLU 111 -22.719 7.181 -5.883 895 HB3 GLU 111 2HB GLU 111 -23.360 5.636 -6.424 896 HG2 GLU 111 1HG GLU 111 -22.420 4.746 -4.180 897 HG3 GLU 111 2HG GLU 111 -22.419 6.445 -3.710 898 H SER 112 H SER 112 -20.859 4.007 -8.147 899 HA SER 112 HA SER 112 -20.072 5.733 -10.246 900 HB2 SER 112 1HB SER 112 -19.366 3.437 -10.310 901 HB3 SER 112 2HB SER 112 -21.034 2.866 -10.256 902 HG SER 112 HG SER 112 -21.282 3.335 -12.326 903 H THR 113 H THR 113 -21.192 6.668 -11.878 904 HA THR 113 HA THR 113 -23.898 7.286 -11.543 905 HB THR 113 HB THR 113 -23.786 8.081 -13.944 906 HG1 THR 113 1HG THR 113 -21.037 7.379 -13.707 907 HG21 THR 113 1HG2 THR 113 -23.336 9.710 -12.315 908 HG22 THR 113 2HG2 THR 113 -21.955 9.798 -13.409 909 HG23 THR 113 3HG2 THR 113 -21.804 8.961 -11.864 910 H GLY 114 H GLY 114 -25.559 5.928 -11.684 911 HA2 GLY 114 1HA GLY 114 -25.962 4.380 -14.086 912 HA3 GLY 114 2HA GLY 114 -25.668 3.399 -12.658 913 H THR 115 H THR 115 -27.015 4.620 -10.690 914 HA THR 115 HA THR 115 -29.775 4.186 -11.494 915 HB THR 115 HB THR 115 -28.704 3.204 -9.379 916 HG1 THR 115 1HG THR 115 -31.058 3.480 -9.916 917 HG21 THR 115 1HG2 THR 115 -28.858 4.653 -7.382 918 HG22 THR 115 2HG2 THR 115 -29.217 6.026 -8.430 919 HG23 THR 115 3HG2 THR 115 -27.651 5.222 -8.535 920 H THR 116 H THR 116 -31.466 5.641 -10.511 921 HA THR 116 HA THR 116 -31.296 8.204 -11.530 922 HB THR 116 HB THR 116 -33.246 8.758 -10.067 923 HG1 THR 116 1HG THR 116 -33.943 6.513 -9.054 924 HG21 THR 116 1HG2 THR 116 -33.194 6.249 -11.714 925 HG22 THR 116 2HG2 THR 116 -33.862 7.831 -12.119 926 HG23 THR 116 3HG2 THR 116 -34.684 6.800 -10.948 927 HA PRO 117 HA PRO 117 -28.777 10.425 -8.670 928 HB2 PRO 117 1HB PRO 117 -29.554 12.941 -9.332 929 HB3 PRO 117 2HB PRO 117 -28.496 11.962 -10.355 930 HG2 PRO 117 1HG PRO 117 -31.442 12.442 -10.587 931 HG3 PRO 117 2HG PRO 117 -30.208 12.418 -11.861 932 HD2 PRO 117 1HD PRO 117 -31.849 10.318 -11.382 933 HD3 PRO 117 2HD PRO 117 -30.186 10.116 -11.971 934 H ASN 118 H ASN 118 -28.914 11.471 -6.695 935 HA ASN 118 HA ASN 118 -31.636 11.959 -5.677 936 HB2 ASN 118 1HB ASN 118 -29.336 10.482 -4.474 937 HB3 ASN 118 2HB ASN 118 -30.407 11.377 -3.400 938 HD21 ASN 118 1HD2 ASN 118 -30.512 8.950 -2.770 939 HD22 ASN 118 2HD2 ASN 118 -31.846 8.084 -3.443 940 H ILE 119 H ILE 119 -31.406 13.256 -3.481 941 HA ILE 119 HA ILE 119 -29.729 15.593 -4.104 942 HB ILE 119 HB ILE 119 -32.205 15.495 -2.378 943 HG12 ILE 119 1HG1 ILE 119 -32.659 15.064 -4.786 944 HG13 ILE 119 2HG1 ILE 119 -33.365 16.571 -4.214 945 HG21 ILE 119 1HG2 ILE 119 -32.020 17.777 -2.095 946 HG22 ILE 119 2HG2 ILE 119 -30.333 17.269 -2.038 947 HG23 ILE 119 3HG2 ILE 119 -30.992 17.976 -3.513 948 HD11 ILE 119 1HD1 ILE 119 -31.897 16.287 -6.480 949 HD12 ILE 119 2HD1 ILE 119 -32.144 17.805 -5.616 950 HD13 ILE 119 3HD1 ILE 119 -30.683 16.858 -5.336 951 H ASP 120 H ASP 120 -28.243 16.292 -2.685 952 HA ASP 120 HA ASP 120 -28.272 15.212 0.044 953 HB2 ASP 120 1HB ASP 120 -26.725 13.819 -1.242 954 HB3 ASP 120 2HB ASP 120 -25.862 15.256 -1.784 955 H SER 121 H SER 121 -28.608 17.010 1.198 956 HA SER 121 HA SER 121 -26.676 19.192 0.912 957 HB2 SER 121 1HB SER 121 -29.678 19.475 0.852 958 HB3 SER 121 2HB SER 121 -28.623 20.812 1.307 959 HG SER 121 HG SER 121 -28.177 19.394 -1.083 960 H GLY 122 H GLY 122 -26.538 20.571 2.810 961 HA2 GLY 122 1HA GLY 122 -27.919 20.113 5.205 962 HA3 GLY 122 2HA GLY 122 -26.484 19.099 5.209 963 HA PRO 123 HA PRO 123 -24.544 22.636 7.049 964 HB2 PRO 123 1HB PRO 123 -22.042 21.589 7.158 965 HB3 PRO 123 2HB PRO 123 -23.326 21.127 8.281 966 HG2 PRO 123 1HG PRO 123 -22.354 19.710 5.830 967 HG3 PRO 123 2HG PRO 123 -22.774 19.040 7.417 968 HD2 PRO 123 1HD PRO 123 -24.456 18.931 5.299 969 HD3 PRO 123 2HD PRO 123 -25.035 19.068 6.972 970 H SER 124 H SER 124 -22.395 23.852 6.613 971 HA SER 124 HA SER 124 -22.488 24.843 3.970 972 HB2 SER 124 1HB SER 124 -20.715 25.303 6.338 973 HB3 SER 124 2HB SER 124 -20.220 25.927 4.765 974 HG SER 124 HG SER 124 -22.667 26.471 6.100 975 H SER 125 H SER 125 -20.571 24.993 2.519 976 HA SER 125 HA SER 125 -19.631 22.365 1.906 977 HB2 SER 125 1HB SER 125 -20.093 23.776 0.048 978 HB3 SER 125 2HB SER 125 -19.101 25.080 0.698 979 HG SER 125 HG SER 125 -17.442 24.214 -0.237 980 H GLY 126 H GLY 126 -17.882 21.391 2.674 981 HA2 GLY 126 1HA GLY 126 -15.332 21.998 2.783 982 HA3 GLY 126 2HA GLY 126 -15.897 22.990 4.119 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 1.836 19.723 14.554 2 HA2 GLY 1 1HA GLY 1 1.181 18.079 12.433 3 HA3 GLY 1 2HA GLY 1 2.135 19.382 11.740 4 H SER 2 H SER 2 2.195 16.440 13.459 5 HA SER 2 HA SER 2 4.924 16.740 14.388 6 HB2 SER 2 1HB SER 2 3.501 15.464 15.822 7 HB3 SER 2 2HB SER 2 2.955 14.451 14.486 8 HG SER 2 HG SER 2 4.536 13.186 15.014 9 H SER 3 H SER 3 6.601 16.458 13.092 10 HA SER 3 HA SER 3 6.706 14.217 11.273 11 HB2 SER 3 1HB SER 3 7.292 15.648 9.304 12 HB3 SER 3 2HB SER 3 5.615 15.815 9.824 13 HG SER 3 HG SER 3 7.764 17.608 10.158 14 H GLY 4 H GLY 4 8.843 13.852 10.411 15 HA2 GLY 4 1HA GLY 4 11.132 15.192 10.539 16 HA3 GLY 4 2HA GLY 4 10.893 14.828 12.242 17 H SER 5 H SER 5 10.785 13.145 9.099 18 HA SER 5 HA SER 5 12.357 10.980 10.327 19 HB2 SER 5 1HB SER 5 9.902 10.409 9.994 20 HB3 SER 5 2HB SER 5 10.203 10.517 8.260 21 HG SER 5 HG SER 5 11.833 8.898 9.883 22 H SER 6 H SER 6 14.279 10.938 9.384 23 HA SER 6 HA SER 6 14.435 11.460 6.487 24 HB2 SER 6 1HB SER 6 16.539 12.015 8.593 25 HB3 SER 6 2HB SER 6 16.716 12.308 6.863 26 HG SER 6 HG SER 6 15.876 14.027 8.535 27 H GLY 7 H GLY 7 16.065 10.288 5.305 28 HA2 GLY 7 1HA GLY 7 17.133 8.352 4.689 29 HA3 GLY 7 2HA GLY 7 17.654 8.242 6.363 30 H ILE 8 H ILE 8 14.833 7.626 4.289 31 HA ILE 8 HA ILE 8 14.226 5.297 5.991 32 HB ILE 8 HB ILE 8 12.492 7.062 6.107 33 HG12 ILE 8 1HG1 ILE 8 11.255 4.793 4.600 34 HG13 ILE 8 2HG1 ILE 8 12.111 4.451 6.100 35 HG21 ILE 8 1HG2 ILE 8 12.884 7.811 3.719 36 HG22 ILE 8 2HG2 ILE 8 11.889 6.440 3.229 37 HG23 ILE 8 3HG2 ILE 8 11.202 7.710 4.241 38 HD11 ILE 8 1HD1 ILE 8 10.156 6.649 6.203 39 HD12 ILE 8 2HD1 ILE 8 9.502 5.026 5.976 40 HD13 ILE 8 3HD1 ILE 8 10.512 5.382 7.377 41 H LEU 9 H LEU 9 13.309 3.443 4.917 42 HA LEU 9 HA LEU 9 14.610 2.894 2.421 43 HB2 LEU 9 1HB LEU 9 12.994 1.367 4.386 44 HB3 LEU 9 2HB LEU 9 13.080 0.740 2.741 45 HG LEU 9 HG LEU 9 15.492 1.316 4.457 46 HD11 LEU 9 1HD1 LEU 9 15.547 -0.873 5.155 47 HD12 LEU 9 2HD1 LEU 9 14.519 -1.434 3.836 48 HD13 LEU 9 3HD1 LEU 9 13.814 -0.545 5.186 49 HD21 LEU 9 1HD2 LEU 9 16.752 0.703 2.714 50 HD22 LEU 9 2HD2 LEU 9 15.317 1.031 1.742 51 HD23 LEU 9 3HD2 LEU 9 15.666 -0.615 2.272 52 H PHE 10 H PHE 10 11.208 3.030 3.467 53 HA PHE 10 HA PHE 10 10.084 2.591 0.931 54 HB2 PHE 10 1HB PHE 10 9.070 2.768 3.429 55 HB3 PHE 10 2HB PHE 10 8.595 4.342 2.799 56 HD1 PHE 10 2HD PHE 10 8.820 1.049 1.085 57 HD2 PHE 10 1HD PHE 10 6.316 4.213 2.440 58 HE1 PHE 10 2HE PHE 10 6.899 0.010 -0.049 59 HE2 PHE 10 1HE PHE 10 4.391 3.179 1.308 60 HZ PHE 10 HZ PHE 10 4.682 1.076 0.060 61 H ILE 11 H ILE 11 11.542 3.957 -0.351 62 HA ILE 11 HA ILE 11 11.690 6.728 -0.197 63 HB ILE 11 HB ILE 11 13.115 5.345 -1.670 64 HG12 ILE 11 1HG1 ILE 11 11.768 7.278 -3.503 65 HG13 ILE 11 2HG1 ILE 11 12.455 7.895 -2.003 66 HG21 ILE 11 1HG2 ILE 11 11.429 3.835 -2.539 67 HG22 ILE 11 2HG2 ILE 11 10.640 5.167 -3.382 68 HG23 ILE 11 3HG2 ILE 11 12.255 4.651 -3.867 69 HD11 ILE 11 1HD1 ILE 11 14.369 8.063 -3.107 70 HD12 ILE 11 2HD1 ILE 11 14.456 6.302 -3.042 71 HD13 ILE 11 3HD1 ILE 11 13.763 7.099 -4.454 72 H GLU 12 H GLU 12 9.325 4.679 -1.853 73 HA GLU 12 HA GLU 12 7.752 7.081 -2.487 74 HB2 GLU 12 1HB GLU 12 8.478 5.211 -4.223 75 HB3 GLU 12 2HB GLU 12 7.052 4.400 -3.591 76 HG2 GLU 12 1HG GLU 12 6.131 5.524 -5.340 77 HG3 GLU 12 2HG GLU 12 5.919 6.720 -4.063 78 H LYS 13 H LYS 13 5.476 7.065 -2.110 79 HA LYS 13 HA LYS 13 4.461 5.017 -0.288 80 HB2 LYS 13 1HB LYS 13 4.308 7.973 0.327 81 HB3 LYS 13 2HB LYS 13 3.625 6.673 1.295 82 HG2 LYS 13 1HG LYS 13 5.641 6.064 2.159 83 HG3 LYS 13 2HG LYS 13 6.538 6.602 0.737 84 HD2 LYS 13 1HD LYS 13 5.147 8.651 2.386 85 HD3 LYS 13 2HD LYS 13 6.630 7.933 3.020 86 HE2 LYS 13 1HE LYS 13 7.269 9.884 1.833 87 HE3 LYS 13 2HE LYS 13 7.715 8.509 0.824 88 HZ1 LYS 13 1HZ LYS 13 6.617 10.372 -0.377 89 HZ2 LYS 13 2HZ LYS 13 5.199 10.041 0.483 90 HZ3 LYS 13 3HZ LYS 13 5.843 8.879 -0.564 91 HA PRO 14 HA PRO 14 0.912 5.483 -2.872 92 HB2 PRO 14 1HB PRO 14 -0.858 4.124 -1.326 93 HB3 PRO 14 2HB PRO 14 0.396 3.324 -2.281 94 HG2 PRO 14 1HG PRO 14 0.372 3.990 0.638 95 HG3 PRO 14 2HG PRO 14 0.911 2.504 -0.166 96 HD2 PRO 14 1HD PRO 14 2.638 4.407 0.686 97 HD3 PRO 14 2HD PRO 14 2.950 3.408 -0.748 98 H GLN 15 H GLN 15 -0.140 7.356 -3.051 99 HA GLN 15 HA GLN 15 -1.080 8.741 -0.665 100 HB2 GLN 15 1HB GLN 15 -0.911 9.577 -3.562 101 HB3 GLN 15 2HB GLN 15 -1.592 10.589 -2.294 102 HG2 GLN 15 1HG GLN 15 1.245 9.726 -2.689 103 HG3 GLN 15 2HG GLN 15 0.588 11.355 -2.535 104 HE21 GLN 15 1HE2 GLN 15 2.309 9.040 -0.991 105 HE22 GLN 15 2HE2 GLN 15 2.036 9.511 0.648 106 H GLY 16 H GLY 16 -2.386 6.287 -1.680 107 HA2 GLY 16 1HA GLY 16 -4.479 5.508 -2.307 108 HA3 GLY 16 2HA GLY 16 -4.981 6.675 -1.093 109 H GLY 17 H GLY 17 -6.952 6.902 -2.310 110 HA2 GLY 17 1HA GLY 17 -7.083 9.186 -3.871 111 HA3 GLY 17 2HA GLY 17 -6.957 7.841 -4.995 112 H THR 18 H THR 18 -9.055 8.408 -5.778 113 HA THR 18 HA THR 18 -11.194 7.309 -4.091 114 HB THR 18 HB THR 18 -11.706 9.692 -5.853 115 HG1 THR 18 1HG THR 18 -11.500 10.128 -3.122 116 HG21 THR 18 1HG2 THR 18 -13.775 8.963 -5.284 117 HG22 THR 18 2HG2 THR 18 -13.439 9.847 -3.795 118 HG23 THR 18 3HG2 THR 18 -13.196 8.102 -3.859 119 H VAL 19 H VAL 19 -12.096 5.650 -5.102 120 HA VAL 19 HA VAL 19 -12.193 5.676 -8.049 121 HB VAL 19 HB VAL 19 -10.726 3.911 -7.142 122 HG11 VAL 19 1HG1 VAL 19 -11.848 1.978 -5.986 123 HG12 VAL 19 2HG1 VAL 19 -11.707 3.453 -5.026 124 HG13 VAL 19 3HG1 VAL 19 -13.251 3.023 -5.763 125 HG21 VAL 19 1HG2 VAL 19 -12.814 2.174 -8.120 126 HG22 VAL 19 2HG2 VAL 19 -12.732 3.664 -9.060 127 HG23 VAL 19 3HG2 VAL 19 -11.299 2.651 -8.886 128 H LYS 20 H LYS 20 -14.078 5.067 -9.074 129 HA LYS 20 HA LYS 20 -16.494 5.407 -7.549 130 HB2 LYS 20 1HB LYS 20 -16.005 6.227 -9.949 131 HB3 LYS 20 2HB LYS 20 -16.375 4.579 -10.438 132 HG2 LYS 20 1HG LYS 20 -18.344 5.883 -10.706 133 HG3 LYS 20 2HG LYS 20 -18.589 4.819 -9.319 134 HD2 LYS 20 1HD LYS 20 -19.407 6.947 -8.677 135 HD3 LYS 20 2HD LYS 20 -17.851 6.752 -7.866 136 HE2 LYS 20 1HE LYS 20 -17.714 8.909 -8.694 137 HE3 LYS 20 2HE LYS 20 -16.898 7.972 -9.944 138 HZ1 LYS 20 1HZ LYS 20 -18.589 9.675 -10.702 139 HZ2 LYS 20 2HZ LYS 20 -19.778 8.626 -10.111 140 HZ3 LYS 20 3HZ LYS 20 -18.743 8.120 -11.350 141 H VAL 21 H VAL 21 -18.228 3.909 -7.426 142 HA VAL 21 HA VAL 21 -17.488 1.291 -6.755 143 HB VAL 21 HB VAL 21 -20.219 2.398 -7.420 144 HG11 VAL 21 1HG1 VAL 21 -20.126 0.091 -5.656 145 HG12 VAL 21 2HG1 VAL 21 -21.140 0.396 -7.067 146 HG13 VAL 21 3HG1 VAL 21 -19.518 -0.267 -7.272 147 HG21 VAL 21 1HG2 VAL 21 -19.054 1.799 -4.712 148 HG22 VAL 21 2HG2 VAL 21 -18.925 3.382 -5.478 149 HG23 VAL 21 3HG2 VAL 21 -20.512 2.715 -5.094 150 H GLY 22 H GLY 22 -16.875 -0.299 -8.058 151 HA2 GLY 22 1HA GLY 22 -17.388 -1.920 -9.729 152 HA3 GLY 22 2HA GLY 22 -18.343 -0.706 -10.569 153 H GLU 23 H GLU 23 -15.839 1.082 -9.866 154 HA GLU 23 HA GLU 23 -14.626 0.734 -12.454 155 HB2 GLU 23 1HB GLU 23 -14.450 2.732 -10.256 156 HB3 GLU 23 2HB GLU 23 -13.088 2.620 -11.362 157 HG2 GLU 23 1HG GLU 23 -14.769 2.871 -13.237 158 HG3 GLU 23 2HG GLU 23 -15.939 3.309 -11.994 159 H ASP 24 H ASP 24 -12.046 1.193 -12.298 160 HA ASP 24 HA ASP 24 -10.933 -0.826 -10.467 161 HB2 ASP 24 1HB ASP 24 -9.525 -1.700 -12.215 162 HB3 ASP 24 2HB ASP 24 -11.190 -1.720 -12.788 163 H ILE 25 H ILE 25 -9.389 -0.017 -9.225 164 HA ILE 25 HA ILE 25 -7.805 2.251 -10.244 165 HB ILE 25 HB ILE 25 -9.294 3.065 -8.518 166 HG12 ILE 25 1HG1 ILE 25 -6.585 2.777 -7.227 167 HG13 ILE 25 2HG1 ILE 25 -6.838 3.786 -8.647 168 HG21 ILE 25 1HG2 ILE 25 -9.771 2.014 -6.583 169 HG22 ILE 25 2HG2 ILE 25 -9.181 0.594 -7.445 170 HG23 ILE 25 3HG2 ILE 25 -8.111 1.467 -6.348 171 HD11 ILE 25 1HD1 ILE 25 -7.815 4.158 -5.860 172 HD12 ILE 25 2HD1 ILE 25 -7.031 5.307 -6.945 173 HD13 ILE 25 3HD1 ILE 25 -8.717 4.858 -7.204 174 H THR 26 H THR 26 -5.628 2.388 -9.534 175 HA THR 26 HA THR 26 -4.535 -0.023 -8.265 176 HB THR 26 HB THR 26 -3.211 1.234 -10.665 177 HG1 THR 26 1HG THR 26 -5.427 0.002 -10.839 178 HG21 THR 26 1HG2 THR 26 -2.039 -0.966 -10.719 179 HG22 THR 26 2HG2 THR 26 -2.834 -1.378 -9.200 180 HG23 THR 26 3HG2 THR 26 -1.708 -0.023 -9.268 181 H PHE 27 H PHE 27 -2.904 0.342 -6.857 182 HA PHE 27 HA PHE 27 -2.039 3.133 -6.531 183 HB2 PHE 27 1HB PHE 27 -1.882 0.916 -4.484 184 HB3 PHE 27 2HB PHE 27 -1.636 2.638 -4.211 185 HD1 PHE 27 1HD PHE 27 -4.172 0.100 -5.109 186 HD2 PHE 27 2HD PHE 27 -3.438 4.054 -3.716 187 HE1 PHE 27 1HE PHE 27 -6.559 0.347 -4.563 188 HE2 PHE 27 2HE PHE 27 -5.823 4.307 -3.167 189 HZ PHE 27 HZ PHE 27 -7.387 2.452 -3.590 190 H ILE 28 H ILE 28 0.166 3.563 -5.973 191 HA ILE 28 HA ILE 28 2.021 1.496 -6.962 192 HB ILE 28 HB ILE 28 2.233 4.501 -7.150 193 HG12 ILE 28 1HG1 ILE 28 0.785 3.480 -8.836 194 HG13 ILE 28 2HG1 ILE 28 2.269 4.069 -9.577 195 HG21 ILE 28 1HG2 ILE 28 4.280 3.139 -8.598 196 HG22 ILE 28 2HG2 ILE 28 4.438 4.330 -7.308 197 HG23 ILE 28 3HG2 ILE 28 4.317 2.615 -6.915 198 HD11 ILE 28 1HD1 ILE 28 3.155 1.760 -9.512 199 HD12 ILE 28 2HD1 ILE 28 1.588 1.218 -8.909 200 HD13 ILE 28 3HD1 ILE 28 1.715 1.941 -10.513 201 H ALA 29 H ALA 29 3.696 0.902 -5.710 202 HA ALA 29 HA ALA 29 4.591 2.566 -3.514 203 HB1 ALA 29 1HB ALA 29 2.810 1.492 -2.377 204 HB2 ALA 29 2HB ALA 29 3.241 -0.082 -3.047 205 HB3 ALA 29 3HB ALA 29 4.294 0.690 -1.862 206 H LYS 30 H LYS 30 6.717 2.547 -3.806 207 HA LYS 30 HA LYS 30 8.018 0.000 -4.517 208 HB2 LYS 30 1HB LYS 30 8.745 2.846 -5.196 209 HB3 LYS 30 2HB LYS 30 9.887 1.520 -5.362 210 HG2 LYS 30 1HG LYS 30 8.795 0.615 -7.149 211 HG3 LYS 30 2HG LYS 30 7.225 1.250 -6.651 212 HD2 LYS 30 1HD LYS 30 9.352 3.180 -7.434 213 HD3 LYS 30 2HD LYS 30 8.537 2.267 -8.706 214 HE2 LYS 30 1HE LYS 30 6.358 3.031 -7.695 215 HE3 LYS 30 2HE LYS 30 7.302 4.117 -6.676 216 HZ1 LYS 30 1HZ LYS 30 8.285 4.894 -8.915 217 HZ2 LYS 30 2HZ LYS 30 6.753 5.445 -8.457 218 HZ3 LYS 30 3HZ LYS 30 6.898 4.199 -9.591 219 H VAL 31 H VAL 31 10.292 -0.192 -3.726 220 HA VAL 31 HA VAL 31 10.789 1.237 -1.217 221 HB VAL 31 HB VAL 31 9.622 -0.947 -0.733 222 HG11 VAL 31 1HG1 VAL 31 10.348 -2.873 -1.575 223 HG12 VAL 31 2HG1 VAL 31 11.472 -1.943 -2.569 224 HG13 VAL 31 3HG1 VAL 31 11.988 -2.571 -1.003 225 HG21 VAL 31 1HG2 VAL 31 10.680 -1.012 1.246 226 HG22 VAL 31 2HG2 VAL 31 12.256 -1.296 0.507 227 HG23 VAL 31 3HG2 VAL 31 11.612 0.343 0.608 228 H LYS 32 H LYS 32 12.942 1.458 -0.671 229 HA LYS 32 HA LYS 32 14.813 1.174 -2.830 230 HB2 LYS 32 1HB LYS 32 14.671 3.051 -1.045 231 HB3 LYS 32 2HB LYS 32 15.561 1.932 -0.020 232 HG2 LYS 32 1HG LYS 32 17.211 3.267 -0.961 233 HG3 LYS 32 2HG LYS 32 17.242 1.803 -1.947 234 HD2 LYS 32 1HD LYS 32 15.490 3.190 -3.380 235 HD3 LYS 32 2HD LYS 32 16.337 4.549 -2.637 236 HE2 LYS 32 1HE LYS 32 18.478 3.570 -3.439 237 HE3 LYS 32 2HE LYS 32 17.550 2.335 -4.287 238 HZ1 LYS 32 1HZ LYS 32 16.457 4.753 -5.038 239 HZ2 LYS 32 2HZ LYS 32 17.429 3.738 -5.980 240 HZ3 LYS 32 3HZ LYS 32 18.132 4.990 -5.086 241 H ALA 33 H ALA 33 16.031 -0.541 -3.238 242 HA ALA 33 HA ALA 33 16.687 -2.364 -1.016 243 HB1 ALA 33 1HB ALA 33 15.004 -3.071 -2.950 244 HB2 ALA 33 2HB ALA 33 16.520 -3.463 -3.763 245 HB3 ALA 33 3HB ALA 33 16.131 -4.212 -2.215 246 H GLU 34 H GLU 34 18.735 -3.305 -1.021 247 HA GLU 34 HA GLU 34 20.648 -2.115 -2.921 248 HB2 GLU 34 1HB GLU 34 21.239 -2.939 -0.076 249 HB3 GLU 34 2HB GLU 34 22.309 -2.082 -1.177 250 HG2 GLU 34 1HG GLU 34 21.084 -0.103 -1.018 251 HG3 GLU 34 2HG GLU 34 19.676 -0.923 -0.346 252 H ASP 35 H ASP 35 20.003 -4.929 -0.857 253 HA ASP 35 HA ASP 35 21.946 -6.521 -2.324 254 HB2 ASP 35 1HB ASP 35 20.094 -7.488 -0.146 255 HB3 ASP 35 2HB ASP 35 21.618 -8.200 -0.670 256 H LEU 36 H LEU 36 21.426 -7.608 -4.092 257 HA LEU 36 HA LEU 36 18.779 -7.787 -5.072 258 HB2 LEU 36 1HB LEU 36 21.207 -9.358 -5.924 259 HB3 LEU 36 2HB LEU 36 19.722 -9.150 -6.850 260 HG LEU 36 HG LEU 36 21.647 -6.938 -6.134 261 HD11 LEU 36 1HD1 LEU 36 22.578 -7.101 -8.231 262 HD12 LEU 36 2HD1 LEU 36 21.196 -7.971 -8.897 263 HD13 LEU 36 3HD1 LEU 36 22.326 -8.799 -7.827 264 HD21 LEU 36 1HD2 LEU 36 19.236 -6.311 -6.416 265 HD22 LEU 36 2HD2 LEU 36 19.343 -6.905 -8.074 266 HD23 LEU 36 3HD2 LEU 36 20.342 -5.546 -7.557 267 H LEU 37 H LEU 37 20.966 -10.216 -3.672 268 HA LEU 37 HA LEU 37 19.410 -12.470 -3.911 269 HB2 LEU 37 1HB LEU 37 21.048 -11.766 -1.483 270 HB3 LEU 37 2HB LEU 37 20.614 -13.381 -2.040 271 HG LEU 37 HG LEU 37 22.279 -11.589 -3.766 272 HD11 LEU 37 1HD1 LEU 37 24.163 -13.087 -2.602 273 HD12 LEU 37 2HD1 LEU 37 23.069 -12.889 -1.233 274 HD13 LEU 37 3HD1 LEU 37 23.736 -11.471 -2.041 275 HD21 LEU 37 1HD2 LEU 37 21.425 -13.606 -4.774 276 HD22 LEU 37 2HD2 LEU 37 22.025 -14.576 -3.428 277 HD23 LEU 37 3HD2 LEU 37 23.161 -13.776 -4.515 278 H ARG 38 H ARG 38 19.220 -9.934 -1.458 279 HA ARG 38 HA ARG 38 17.102 -11.264 -0.021 280 HB2 ARG 38 1HB ARG 38 17.960 -8.389 0.282 281 HB3 ARG 38 2HB ARG 38 17.151 -9.406 1.467 282 HG2 ARG 38 1HG ARG 38 19.930 -9.928 0.443 283 HG3 ARG 38 2HG ARG 38 19.574 -8.999 1.901 284 HD2 ARG 38 1HD ARG 38 18.477 -10.922 2.890 285 HD3 ARG 38 2HD ARG 38 18.723 -11.851 1.412 286 HE ARG 38 HE ARG 38 21.233 -11.126 2.123 287 HH11 ARG 38 2HH1 ARG 38 18.618 -12.694 3.802 288 HH12 ARG 38 1HH1 ARG 38 19.660 -13.622 4.828 289 HH21 ARG 38 2HH2 ARG 38 22.616 -12.342 3.469 290 HH22 ARG 38 1HH2 ARG 38 21.934 -13.421 4.639 291 H LYS 39 H LYS 39 14.950 -10.872 -0.123 292 HA LYS 39 HA LYS 39 14.021 -8.771 -1.961 293 HB2 LYS 39 1HB LYS 39 13.903 -10.917 -3.127 294 HB3 LYS 39 2HB LYS 39 12.977 -11.604 -1.799 295 HG2 LYS 39 1HG LYS 39 11.336 -9.633 -2.326 296 HG3 LYS 39 2HG LYS 39 12.134 -9.673 -3.900 297 HD2 LYS 39 1HD LYS 39 11.211 -12.250 -2.741 298 HD3 LYS 39 2HD LYS 39 9.988 -11.143 -3.370 299 HE2 LYS 39 1HE LYS 39 12.265 -12.453 -4.824 300 HE3 LYS 39 2HE LYS 39 10.540 -12.529 -5.182 301 HZ1 LYS 39 1HZ LYS 39 11.299 -11.055 -6.751 302 HZ2 LYS 39 2HZ LYS 39 12.453 -10.363 -5.726 303 HZ3 LYS 39 3HZ LYS 39 10.814 -9.993 -5.526 304 HA PRO 40 HA PRO 40 11.669 -7.750 1.686 305 HB2 PRO 40 1HB PRO 40 10.419 -5.595 0.609 306 HB3 PRO 40 2HB PRO 40 12.098 -5.555 1.162 307 HG2 PRO 40 1HG PRO 40 11.025 -5.872 -1.615 308 HG3 PRO 40 2HG PRO 40 12.382 -4.883 -1.046 309 HD2 PRO 40 1HD PRO 40 12.733 -7.286 -2.244 310 HD3 PRO 40 2HD PRO 40 13.829 -6.676 -0.988 311 H THR 41 H THR 41 9.347 -7.358 2.182 312 HA THR 41 HA THR 41 7.527 -8.576 0.221 313 HB THR 41 HB THR 41 7.498 -9.269 3.162 314 HG1 THR 41 1HG THR 41 8.791 -10.435 0.970 315 HG21 THR 41 1HG2 THR 41 5.787 -10.789 2.662 316 HG22 THR 41 2HG2 THR 41 6.112 -10.724 0.929 317 HG23 THR 41 3HG2 THR 41 5.359 -9.350 1.737 318 H ILE 42 H ILE 42 5.629 -7.552 0.008 319 HA ILE 42 HA ILE 42 4.988 -5.451 1.973 320 HB ILE 42 HB ILE 42 5.525 -4.583 -0.270 321 HG12 ILE 42 1HG1 ILE 42 2.579 -4.179 0.000 322 HG13 ILE 42 2HG1 ILE 42 3.609 -3.722 1.352 323 HG21 ILE 42 1HG2 ILE 42 3.014 -5.759 -1.360 324 HG22 ILE 42 2HG2 ILE 42 4.459 -5.208 -2.204 325 HG23 ILE 42 3HG2 ILE 42 4.479 -6.740 -1.331 326 HD11 ILE 42 1HD1 ILE 42 4.837 -2.648 -0.908 327 HD12 ILE 42 2HD1 ILE 42 3.111 -2.345 -1.112 328 HD13 ILE 42 3HD1 ILE 42 3.939 -1.786 0.341 329 H LYS 43 H LYS 43 3.044 -5.454 2.943 330 HA LYS 43 HA LYS 43 1.006 -7.340 1.963 331 HB2 LYS 43 1HB LYS 43 2.269 -8.183 3.984 332 HB3 LYS 43 2HB LYS 43 1.589 -6.833 4.882 333 HG2 LYS 43 1HG LYS 43 0.079 -8.443 5.415 334 HG3 LYS 43 2HG LYS 43 -0.679 -7.810 3.952 335 HD2 LYS 43 1HD LYS 43 -0.725 -10.147 3.702 336 HD3 LYS 43 2HD LYS 43 0.622 -9.607 2.697 337 HE2 LYS 43 1HE LYS 43 2.064 -10.054 4.790 338 HE3 LYS 43 2HE LYS 43 0.684 -10.994 5.354 339 HZ1 LYS 43 1HZ LYS 43 0.858 -12.434 3.498 340 HZ2 LYS 43 2HZ LYS 43 2.415 -12.288 4.141 341 HZ3 LYS 43 3HZ LYS 43 1.999 -11.445 2.735 342 H TRP 44 H TRP 44 -0.778 -6.285 1.432 343 HA TRP 44 HA TRP 44 -1.274 -3.620 2.455 344 HB2 TRP 44 1HB TRP 44 -2.931 -5.260 0.527 345 HB3 TRP 44 2HB TRP 44 -3.074 -3.530 0.826 346 HD1 TRP 44 HD TRP 44 -0.616 -6.069 -0.732 347 HE1 TRP 44 1HE TRP 44 0.819 -4.830 -2.472 348 HE3 TRP 44 3HE TRP 44 -2.285 -1.306 0.083 349 HZ2 TRP 44 2HZ TRP 44 1.195 -2.183 -3.379 350 HZ3 TRP 44 3HZ TRP 44 -1.336 0.522 -1.262 351 HH2 TRP 44 HH TRP 44 0.368 0.091 -2.957 352 H PHE 45 H PHE 45 -2.903 -3.007 3.804 353 HA PHE 45 HA PHE 45 -4.703 -5.104 4.809 354 HB2 PHE 45 1HB PHE 45 -3.001 -3.205 6.415 355 HB3 PHE 45 2HB PHE 45 -4.439 -3.963 7.092 356 HD1 PHE 45 1HD PHE 45 -4.551 -6.520 7.042 357 HD2 PHE 45 2HD PHE 45 -0.963 -4.309 6.444 358 HE1 PHE 45 1HE PHE 45 -3.230 -8.516 7.611 359 HE2 PHE 45 2HE PHE 45 0.364 -6.302 7.012 360 HZ PHE 45 HZ PHE 45 -0.770 -8.409 7.596 361 H LYS 46 H LYS 46 -6.542 -4.136 6.100 362 HA LYS 46 HA LYS 46 -7.259 -1.424 5.302 363 HB2 LYS 46 1HB LYS 46 -8.101 -2.935 3.511 364 HB3 LYS 46 2HB LYS 46 -9.054 -3.787 4.720 365 HG2 LYS 46 1HG LYS 46 -10.505 -2.284 3.603 366 HG3 LYS 46 2HG LYS 46 -10.207 -1.621 5.211 367 HD2 LYS 46 1HD LYS 46 -8.388 -0.217 4.148 368 HD3 LYS 46 2HD LYS 46 -9.031 -0.729 2.586 369 HE2 LYS 46 1HE LYS 46 -10.553 0.734 4.741 370 HE3 LYS 46 2HE LYS 46 -9.931 1.443 3.251 371 HZ1 LYS 46 1HZ LYS 46 -11.366 -0.512 2.231 372 HZ2 LYS 46 2HZ LYS 46 -12.033 1.000 2.588 373 HZ3 LYS 46 3HZ LYS 46 -12.241 -0.290 3.662 374 H GLY 47 H GLY 47 -8.982 -0.516 6.539 375 HA2 GLY 47 1HA GLY 47 -10.164 -0.153 8.472 376 HA3 GLY 47 2HA GLY 47 -10.412 -1.891 8.529 377 H LYS 48 H LYS 48 -9.873 -2.627 10.467 378 HA LYS 48 HA LYS 48 -7.583 -1.427 11.858 379 HB2 LYS 48 1HB LYS 48 -9.731 -1.448 13.067 380 HB3 LYS 48 2HB LYS 48 -9.785 -3.201 12.932 381 HG2 LYS 48 1HG LYS 48 -9.043 -2.616 15.129 382 HG3 LYS 48 2HG LYS 48 -7.687 -3.319 14.245 383 HD2 LYS 48 1HD LYS 48 -6.543 -1.348 14.164 384 HD3 LYS 48 2HD LYS 48 -8.013 -0.371 14.134 385 HE2 LYS 48 1HE LYS 48 -7.043 -1.873 16.559 386 HE3 LYS 48 2HE LYS 48 -6.656 -0.184 16.234 387 HZ1 LYS 48 1HZ LYS 48 -8.540 0.307 17.270 388 HZ2 LYS 48 2HZ LYS 48 -9.036 -1.309 17.317 389 HZ3 LYS 48 3HZ LYS 48 -9.380 -0.358 15.961 390 H TRP 49 H TRP 49 -9.054 -4.660 11.501 391 HA TRP 49 HA TRP 49 -6.333 -5.765 11.293 392 HB2 TRP 49 1HB TRP 49 -8.649 -7.049 12.758 393 HB3 TRP 49 2HB TRP 49 -7.022 -7.705 12.599 394 HD1 TRP 49 HD TRP 49 -9.099 -5.529 14.795 395 HE1 TRP 49 1HE TRP 49 -7.645 -4.501 16.653 396 HE3 TRP 49 3HE TRP 49 -4.478 -6.723 12.963 397 HZ2 TRP 49 2HZ TRP 49 -4.902 -4.233 17.262 398 HZ3 TRP 49 3HZ TRP 49 -2.490 -6.044 14.245 399 HH2 TRP 49 HH TRP 49 -2.699 -4.824 16.349 400 H MET 50 H MET 50 -8.005 -5.043 9.129 401 HA MET 50 HA MET 50 -9.095 -7.561 8.130 402 HB2 MET 50 1HB MET 50 -10.132 -5.130 7.921 403 HB3 MET 50 2HB MET 50 -9.096 -5.061 6.501 404 HG2 MET 50 1HG MET 50 -10.170 -7.135 5.678 405 HG3 MET 50 2HG MET 50 -11.270 -7.065 7.052 406 HE1 MET 50 1HE MET 50 -11.518 -6.052 3.172 407 HE2 MET 50 2HE MET 50 -10.958 -4.399 3.430 408 HE3 MET 50 3HE MET 50 -9.956 -5.759 3.939 409 H ASP 51 H ASP 51 -8.020 -8.839 6.777 410 HA ASP 51 HA ASP 51 -5.475 -7.892 5.686 411 HB2 ASP 51 1HB ASP 51 -5.568 -10.019 7.010 412 HB3 ASP 51 2HB ASP 51 -6.565 -10.712 5.734 413 H LEU 52 H LEU 52 -5.350 -7.258 3.645 414 HA LEU 52 HA LEU 52 -7.536 -7.746 1.820 415 HB2 LEU 52 1HB LEU 52 -4.955 -6.218 1.553 416 HB3 LEU 52 2HB LEU 52 -6.145 -6.356 0.260 417 HG LEU 52 HG LEU 52 -6.610 -5.057 2.945 418 HD11 LEU 52 1HD1 LEU 52 -6.545 -3.664 0.296 419 HD12 LEU 52 2HD1 LEU 52 -5.065 -3.929 1.218 420 HD13 LEU 52 3HD1 LEU 52 -6.383 -2.989 1.918 421 HD21 LEU 52 1HD2 LEU 52 -8.628 -4.186 1.483 422 HD22 LEU 52 2HD2 LEU 52 -8.722 -5.707 2.371 423 HD23 LEU 52 3HD2 LEU 52 -8.371 -5.715 0.641 424 H ALA 53 H ALA 53 -4.128 -8.642 2.102 425 HA ALA 53 HA ALA 53 -3.576 -9.832 -0.268 426 HB1 ALA 53 1HB ALA 53 -2.349 -9.795 2.131 427 HB2 ALA 53 2HB ALA 53 -2.834 -11.489 2.050 428 HB3 ALA 53 3HB ALA 53 -1.829 -10.798 0.777 429 H SER 54 H SER 54 -5.499 -11.235 2.354 430 HA SER 54 HA SER 54 -5.909 -13.734 1.041 431 HB2 SER 54 1HB SER 54 -6.078 -13.357 3.526 432 HB3 SER 54 2HB SER 54 -7.603 -12.521 3.234 433 HG SER 54 HG SER 54 -8.543 -14.379 2.694 434 H LYS 55 H LYS 55 -7.643 -10.688 1.170 435 HA LYS 55 HA LYS 55 -10.056 -11.582 0.003 436 HB2 LYS 55 1HB LYS 55 -8.831 -8.820 -0.099 437 HB3 LYS 55 2HB LYS 55 -10.515 -9.218 -0.410 438 HG2 LYS 55 1HG LYS 55 -9.212 -9.831 2.219 439 HG3 LYS 55 2HG LYS 55 -9.923 -8.253 1.872 440 HD2 LYS 55 1HD LYS 55 -11.980 -9.732 1.129 441 HD3 LYS 55 2HD LYS 55 -11.240 -10.901 2.224 442 HE2 LYS 55 1HE LYS 55 -11.157 -8.928 3.892 443 HE3 LYS 55 2HE LYS 55 -12.346 -8.182 2.826 444 HZ1 LYS 55 1HZ LYS 55 -13.408 -10.600 3.143 445 HZ2 LYS 55 2HZ LYS 55 -13.777 -9.285 4.140 446 HZ3 LYS 55 3HZ LYS 55 -12.635 -10.429 4.639 447 H ALA 56 H ALA 56 -7.016 -10.453 -1.343 448 HA ALA 56 HA ALA 56 -7.752 -9.979 -3.972 449 HB1 ALA 56 1HB ALA 56 -5.244 -11.189 -4.127 450 HB2 ALA 56 2HB ALA 56 -5.590 -9.467 -3.972 451 HB3 ALA 56 3HB ALA 56 -5.300 -10.440 -2.531 452 H GLY 57 H GLY 57 -8.878 -11.270 -5.274 453 HA2 GLY 57 1HA GLY 57 -7.920 -13.951 -5.806 454 HA3 GLY 57 2HA GLY 57 -9.512 -13.881 -5.066 455 H LYS 58 H LYS 58 -10.886 -12.012 -6.226 456 HA LYS 58 HA LYS 58 -10.591 -12.374 -9.131 457 HB2 LYS 58 1HB LYS 58 -12.330 -13.899 -8.300 458 HB3 LYS 58 2HB LYS 58 -13.172 -12.542 -7.562 459 HG2 LYS 58 1HG LYS 58 -13.896 -11.714 -9.585 460 HG3 LYS 58 2HG LYS 58 -12.608 -12.512 -10.492 461 HD2 LYS 58 1HD LYS 58 -14.440 -13.803 -11.043 462 HD3 LYS 58 2HD LYS 58 -13.771 -14.700 -9.678 463 HE2 LYS 58 1HE LYS 58 -15.370 -13.579 -8.184 464 HE3 LYS 58 2HE LYS 58 -16.051 -12.725 -9.568 465 HZ1 LYS 58 1HZ LYS 58 -17.462 -14.459 -9.557 466 HZ2 LYS 58 2HZ LYS 58 -16.395 -15.487 -8.742 467 HZ3 LYS 58 3HZ LYS 58 -16.226 -15.241 -10.407 468 H HIS 59 H HIS 59 -12.533 -10.586 -6.728 469 HA HIS 59 HA HIS 59 -12.931 -8.349 -8.440 470 HB2 HIS 59 1HB HIS 59 -13.399 -8.868 -5.519 471 HB3 HIS 59 2HB HIS 59 -13.597 -7.248 -6.180 472 HD1 HIS 59 1HD HIS 59 -15.816 -6.737 -7.175 473 HD2 HIS 59 2HD HIS 59 -15.154 -10.826 -6.845 474 HE1 HIS 59 1HE HIS 59 -17.980 -7.825 -7.850 475 HE2 HIS 59 2HE HIS 59 -17.583 -10.296 -7.560 476 H LEU 60 H LEU 60 -10.463 -9.260 -6.179 477 HA LEU 60 HA LEU 60 -9.115 -6.686 -6.669 478 HB2 LEU 60 1HB LEU 60 -9.729 -6.641 -4.395 479 HB3 LEU 60 2HB LEU 60 -9.269 -8.326 -4.158 480 HG LEU 60 HG LEU 60 -6.871 -7.335 -4.781 481 HD11 LEU 60 1HD1 LEU 60 -8.515 -5.012 -4.342 482 HD12 LEU 60 2HD1 LEU 60 -6.836 -5.118 -4.869 483 HD13 LEU 60 3HD1 LEU 60 -7.219 -5.101 -3.148 484 HD21 LEU 60 1HD2 LEU 60 -7.495 -6.718 -2.007 485 HD22 LEU 60 2HD2 LEU 60 -6.408 -7.932 -2.681 486 HD23 LEU 60 3HD2 LEU 60 -8.130 -8.281 -2.521 487 H GLN 61 H GLN 61 -6.908 -6.738 -7.055 488 HA GLN 61 HA GLN 61 -5.525 -9.297 -7.032 489 HB2 GLN 61 1HB GLN 61 -5.889 -7.670 -9.553 490 HB3 GLN 61 2HB GLN 61 -4.786 -9.030 -9.388 491 HG2 GLN 61 1HG GLN 61 -7.692 -9.377 -8.800 492 HG3 GLN 61 2HG GLN 61 -7.111 -9.381 -10.465 493 HE21 GLN 61 1HE2 GLN 61 -7.326 -11.113 -7.515 494 HE22 GLN 61 2HE2 GLN 61 -6.573 -12.571 -8.056 495 H LEU 62 H LEU 62 -3.525 -9.020 -6.303 496 HA LEU 62 HA LEU 62 -2.442 -6.315 -6.156 497 HB2 LEU 62 1HB LEU 62 -1.250 -8.807 -4.973 498 HB3 LEU 62 2HB LEU 62 -0.946 -7.133 -4.514 499 HG LEU 62 HG LEU 62 -3.549 -8.595 -4.077 500 HD11 LEU 62 1HD1 LEU 62 -2.257 -7.879 -1.660 501 HD12 LEU 62 2HD1 LEU 62 -1.098 -8.762 -2.654 502 HD13 LEU 62 3HD1 LEU 62 -2.656 -9.489 -2.260 503 HD21 LEU 62 1HD2 LEU 62 -3.523 -6.049 -4.353 504 HD22 LEU 62 2HD2 LEU 62 -2.662 -6.022 -2.813 505 HD23 LEU 62 3HD2 LEU 62 -4.284 -6.711 -2.906 506 H LYS 63 H LYS 63 -0.104 -6.004 -6.572 507 HA LYS 63 HA LYS 63 0.974 -7.799 -8.626 508 HB2 LYS 63 1HB LYS 63 -0.245 -5.579 -9.439 509 HB3 LYS 63 2HB LYS 63 1.309 -4.864 -9.027 510 HG2 LYS 63 1HG LYS 63 2.449 -6.260 -10.588 511 HG3 LYS 63 2HG LYS 63 0.993 -7.215 -10.877 512 HD2 LYS 63 1HD LYS 63 -0.039 -5.500 -12.075 513 HD3 LYS 63 2HD LYS 63 1.029 -4.264 -11.407 514 HE2 LYS 63 1HE LYS 63 2.913 -5.452 -12.632 515 HE3 LYS 63 2HE LYS 63 1.656 -6.348 -13.482 516 HZ1 LYS 63 1HZ LYS 63 1.557 -4.658 -14.890 517 HZ2 LYS 63 2HZ LYS 63 2.595 -3.714 -13.947 518 HZ3 LYS 63 3HZ LYS 63 0.930 -3.695 -13.648 519 H GLU 64 H GLU 64 3.222 -7.865 -8.760 520 HA GLU 64 HA GLU 64 4.814 -6.140 -7.062 521 HB2 GLU 64 1HB GLU 64 4.375 -7.689 -5.374 522 HB3 GLU 64 2HB GLU 64 4.371 -9.049 -6.488 523 HG2 GLU 64 1HG GLU 64 6.841 -8.648 -6.795 524 HG3 GLU 64 2HG GLU 64 6.737 -7.531 -5.436 525 H THR 65 H THR 65 6.713 -5.735 -7.995 526 HA THR 65 HA THR 65 7.909 -7.718 -9.781 527 HB THR 65 HB THR 65 6.534 -6.199 -11.200 528 HG1 THR 65 1HG THR 65 8.614 -7.181 -11.868 529 HG21 THR 65 1HG2 THR 65 6.634 -4.132 -10.030 530 HG22 THR 65 2HG2 THR 65 7.490 -3.885 -11.552 531 HG23 THR 65 3HG2 THR 65 8.396 -4.124 -10.058 532 H PHE 66 H PHE 66 10.152 -7.115 -10.406 533 HA PHE 66 HA PHE 66 11.433 -5.427 -8.361 534 HB2 PHE 66 1HB PHE 66 11.886 -7.693 -7.729 535 HB3 PHE 66 2HB PHE 66 12.308 -8.131 -9.381 536 HD1 PHE 66 1HD PHE 66 13.352 -5.636 -6.806 537 HD2 PHE 66 2HD PHE 66 14.536 -8.384 -9.834 538 HE1 PHE 66 1HE PHE 66 15.714 -5.142 -6.327 539 HE2 PHE 66 2HE PHE 66 16.900 -7.894 -9.359 540 HZ PHE 66 HZ PHE 66 17.492 -6.272 -7.603 541 H GLU 67 H GLU 67 13.208 -4.219 -8.998 542 HA GLU 67 HA GLU 67 13.871 -4.281 -11.865 543 HB2 GLU 67 1HB GLU 67 12.991 -1.980 -10.181 544 HB3 GLU 67 2HB GLU 67 14.187 -1.685 -11.436 545 HG2 GLU 67 1HG GLU 67 12.574 -2.813 -13.034 546 HG3 GLU 67 2HG GLU 67 11.377 -2.687 -11.746 547 H ARG 68 H ARG 68 15.800 -5.364 -11.500 548 HA ARG 68 HA ARG 68 17.687 -4.739 -9.528 549 HB2 ARG 68 1HB ARG 68 19.288 -5.776 -11.372 550 HB3 ARG 68 2HB ARG 68 18.152 -6.770 -10.472 551 HG2 ARG 68 1HG ARG 68 17.158 -5.572 -12.981 552 HG3 ARG 68 2HG ARG 68 18.374 -6.842 -13.129 553 HD2 ARG 68 1HD ARG 68 17.010 -8.438 -12.148 554 HD3 ARG 68 2HD ARG 68 16.008 -7.231 -11.344 555 HE ARG 68 HE ARG 68 15.523 -6.768 -13.956 556 HH11 ARG 68 2HH1 ARG 68 15.467 -9.653 -12.009 557 HH12 ARG 68 1HH1 ARG 68 14.231 -10.421 -12.950 558 HH21 ARG 68 2HH2 ARG 68 13.896 -7.768 -15.203 559 HH22 ARG 68 1HH2 ARG 68 13.339 -9.348 -14.767 560 H HIS 69 H HIS 69 17.094 -3.364 -12.689 561 HA HIS 69 HA HIS 69 19.341 -2.076 -13.398 562 HB2 HIS 69 1HB HIS 69 16.737 -0.563 -13.243 563 HB3 HIS 69 2HB HIS 69 18.023 -0.390 -14.433 564 HD1 HIS 69 1HD HIS 69 15.162 -2.632 -13.492 565 HD2 HIS 69 2HD HIS 69 17.913 -2.158 -16.569 566 HE1 HIS 69 1HE HIS 69 14.367 -4.138 -15.343 567 HE2 HIS 69 2HE HIS 69 16.093 -3.899 -17.161 568 H SER 70 H SER 70 17.109 -0.904 -10.888 569 HA SER 70 HA SER 70 19.282 0.825 -9.898 570 HB2 SER 70 1HB SER 70 16.302 1.291 -9.632 571 HB3 SER 70 2HB SER 70 17.580 2.364 -9.064 572 HG SER 70 HG SER 70 17.394 1.603 -11.775 573 H ARG 71 H ARG 71 17.830 -1.988 -9.293 574 HA ARG 71 HA ARG 71 17.656 -3.345 -7.475 575 HB2 ARG 71 1HB ARG 71 19.244 -1.182 -6.080 576 HB3 ARG 71 2HB ARG 71 19.006 -2.826 -5.501 577 HG2 ARG 71 1HG ARG 71 20.062 -3.400 -7.868 578 HG3 ARG 71 2HG ARG 71 20.774 -1.801 -7.641 579 HD2 ARG 71 1HD ARG 71 21.283 -2.791 -5.233 580 HD3 ARG 71 2HD ARG 71 21.201 -4.314 -6.117 581 HE ARG 71 HE ARG 71 23.155 -3.762 -7.214 582 HH11 ARG 71 2HH1 ARG 71 21.987 -1.035 -5.392 583 HH12 ARG 71 1HH1 ARG 71 23.445 -0.118 -5.581 584 HH21 ARG 71 2HH2 ARG 71 25.080 -2.565 -7.469 585 HH22 ARG 71 1HH2 ARG 71 25.204 -0.990 -6.763 586 H VAL 72 H VAL 72 15.504 -1.668 -8.011 587 HA VAL 72 HA VAL 72 14.471 -1.190 -5.294 588 HB VAL 72 HB VAL 72 13.938 0.497 -7.743 589 HG11 VAL 72 1HG1 VAL 72 12.873 1.019 -4.986 590 HG12 VAL 72 2HG1 VAL 72 12.363 1.724 -6.522 591 HG13 VAL 72 3HG1 VAL 72 11.982 0.042 -6.152 592 HG21 VAL 72 1HG2 VAL 72 15.553 0.885 -5.258 593 HG22 VAL 72 2HG2 VAL 72 15.969 1.250 -6.933 594 HG23 VAL 72 3HG2 VAL 72 14.828 2.276 -6.064 595 H TYR 73 H TYR 73 12.525 -2.056 -4.847 596 HA TYR 73 HA TYR 73 11.289 -3.707 -6.902 597 HB2 TYR 73 1HB TYR 73 10.921 -3.506 -3.915 598 HB3 TYR 73 2HB TYR 73 9.869 -4.486 -4.931 599 HD1 TYR 73 2HD TYR 73 13.382 -4.045 -3.837 600 HD2 TYR 73 1HD TYR 73 10.533 -6.633 -5.649 601 HE1 TYR 73 2HE TYR 73 14.990 -5.901 -3.700 602 HE2 TYR 73 1HE TYR 73 12.133 -8.497 -5.516 603 HH TYR 73 HH TYR 73 15.444 -8.019 -4.671 604 H THR 74 H THR 74 9.045 -3.643 -7.372 605 HA THR 74 HA THR 74 7.680 -1.141 -6.640 606 HB THR 74 HB THR 74 7.549 -2.338 -9.408 607 HG1 THR 74 1HG THR 74 8.848 0.071 -9.116 608 HG21 THR 74 1HG2 THR 74 6.931 0.501 -8.746 609 HG22 THR 74 2HG2 THR 74 5.750 -0.738 -8.321 610 HG23 THR 74 3HG2 THR 74 6.253 -0.538 -9.999 611 H PHE 75 H PHE 75 5.903 -1.659 -5.560 612 HA PHE 75 HA PHE 75 4.425 -4.079 -6.358 613 HB2 PHE 75 1HB PHE 75 4.140 -2.766 -3.670 614 HB3 PHE 75 2HB PHE 75 3.781 -4.427 -4.131 615 HD1 PHE 75 1HD PHE 75 5.782 -5.902 -4.801 616 HD2 PHE 75 2HD PHE 75 6.148 -2.251 -2.645 617 HE1 PHE 75 1HE PHE 75 7.997 -6.606 -3.993 618 HE2 PHE 75 2HE PHE 75 8.364 -2.947 -1.834 619 HZ PHE 75 HZ PHE 75 9.292 -5.127 -2.508 620 H GLU 76 H GLU 76 2.245 -3.961 -6.719 621 HA GLU 76 HA GLU 76 0.945 -1.349 -6.389 622 HB2 GLU 76 1HB GLU 76 0.557 -3.014 -8.869 623 HB3 GLU 76 2HB GLU 76 0.065 -1.350 -8.589 624 HG2 GLU 76 1HG GLU 76 1.898 -1.114 -9.965 625 HG3 GLU 76 2HG GLU 76 2.589 -0.879 -8.360 626 H MET 77 H MET 77 -1.469 -1.525 -6.701 627 HA MET 77 HA MET 77 -2.495 -4.166 -5.935 628 HB2 MET 77 1HB MET 77 -2.255 -2.927 -3.864 629 HB3 MET 77 2HB MET 77 -3.116 -1.554 -4.547 630 HG2 MET 77 1HG MET 77 -5.166 -2.666 -4.505 631 HG3 MET 77 2HG MET 77 -4.406 -4.245 -4.318 632 HE1 MET 77 1HE MET 77 -4.594 -0.798 -2.950 633 HE2 MET 77 2HE MET 77 -5.997 -1.224 -1.970 634 HE3 MET 77 3HE MET 77 -4.437 -0.938 -1.199 635 H GLN 78 H GLN 78 -3.585 -4.593 -7.785 636 HA GLN 78 HA GLN 78 -5.220 -2.560 -9.047 637 HB2 GLN 78 1HB GLN 78 -3.829 -4.660 -10.051 638 HB3 GLN 78 2HB GLN 78 -5.439 -5.362 -9.957 639 HG2 GLN 78 1HG GLN 78 -6.309 -3.470 -11.273 640 HG3 GLN 78 2HG GLN 78 -4.665 -2.849 -11.421 641 HE21 GLN 78 1HE2 GLN 78 -3.115 -4.795 -12.089 642 HE22 GLN 78 2HE2 GLN 78 -3.636 -5.626 -13.511 643 H ILE 79 H ILE 79 -7.111 -2.101 -8.128 644 HA ILE 79 HA ILE 79 -8.672 -4.259 -6.901 645 HB ILE 79 HB ILE 79 -9.080 -1.271 -6.728 646 HG12 ILE 79 1HG1 ILE 79 -7.575 -3.239 -5.067 647 HG13 ILE 79 2HG1 ILE 79 -7.186 -1.566 -5.450 648 HG21 ILE 79 1HG2 ILE 79 -10.684 -1.769 -4.980 649 HG22 ILE 79 2HG2 ILE 79 -11.147 -2.577 -6.477 650 HG23 ILE 79 3HG2 ILE 79 -10.393 -3.497 -5.175 651 HD11 ILE 79 1HD1 ILE 79 -9.095 -2.612 -3.392 652 HD12 ILE 79 2HD1 ILE 79 -7.677 -1.588 -3.165 653 HD13 ILE 79 3HD1 ILE 79 -9.122 -0.935 -3.937 654 H ILE 80 H ILE 80 -10.147 -5.196 -8.139 655 HA ILE 80 HA ILE 80 -11.353 -3.679 -10.339 656 HB ILE 80 HB ILE 80 -11.681 -6.632 -9.867 657 HG12 ILE 80 1HG1 ILE 80 -9.803 -6.499 -11.824 658 HG13 ILE 80 2HG1 ILE 80 -9.319 -5.134 -10.823 659 HG21 ILE 80 1HG2 ILE 80 -11.555 -5.914 -12.598 660 HG22 ILE 80 2HG2 ILE 80 -12.944 -6.501 -11.685 661 HG23 ILE 80 3HG2 ILE 80 -12.633 -4.769 -11.799 662 HD11 ILE 80 1HD1 ILE 80 -9.642 -7.984 -9.914 663 HD12 ILE 80 2HD1 ILE 80 -8.122 -7.128 -10.179 664 HD13 ILE 80 3HD1 ILE 80 -9.204 -6.623 -8.881 665 H LYS 81 H LYS 81 -13.471 -3.185 -10.408 666 HA LYS 81 HA LYS 81 -15.602 -2.827 -9.698 667 HB2 LYS 81 1HB LYS 81 -15.275 -5.632 -8.616 668 HB3 LYS 81 2HB LYS 81 -16.807 -4.781 -8.760 669 HG2 LYS 81 1HG LYS 81 -16.030 -4.563 -11.280 670 HG3 LYS 81 2HG LYS 81 -15.109 -6.008 -10.858 671 HD2 LYS 81 1HD LYS 81 -17.331 -6.888 -9.903 672 HD3 LYS 81 2HD LYS 81 -18.082 -5.595 -10.841 673 HE2 LYS 81 1HE LYS 81 -17.542 -6.555 -12.851 674 HE3 LYS 81 2HE LYS 81 -16.126 -7.379 -12.200 675 HZ1 LYS 81 1HZ LYS 81 -18.906 -8.234 -12.262 676 HZ2 LYS 81 2HZ LYS 81 -18.044 -8.615 -10.858 677 HZ3 LYS 81 3HZ LYS 81 -17.488 -9.151 -12.363 678 H ALA 82 H ALA 82 -13.776 -1.623 -8.106 679 HA ALA 82 HA ALA 82 -13.666 -2.171 -5.420 680 HB1 ALA 82 1HB ALA 82 -13.074 0.071 -5.067 681 HB2 ALA 82 2HB ALA 82 -12.554 -0.279 -6.716 682 HB3 ALA 82 3HB ALA 82 -14.038 0.631 -6.434 683 H LYS 83 H LYS 83 -15.239 -2.605 -4.031 684 HA LYS 83 HA LYS 83 -17.914 -1.543 -4.452 685 HB2 LYS 83 1HB LYS 83 -17.013 -3.358 -2.218 686 HB3 LYS 83 2HB LYS 83 -18.647 -3.123 -2.827 687 HG2 LYS 83 1HG LYS 83 -18.158 -4.290 -4.835 688 HG3 LYS 83 2HG LYS 83 -16.430 -4.312 -4.474 689 HD2 LYS 83 1HD LYS 83 -17.097 -5.623 -2.365 690 HD3 LYS 83 2HD LYS 83 -18.646 -5.866 -3.175 691 HE2 LYS 83 1HE LYS 83 -17.023 -7.722 -3.513 692 HE3 LYS 83 2HE LYS 83 -17.584 -6.979 -5.010 693 HZ1 LYS 83 1HZ LYS 83 -15.143 -5.904 -3.831 694 HZ2 LYS 83 2HZ LYS 83 -15.552 -6.126 -5.457 695 HZ3 LYS 83 3HZ LYS 83 -15.038 -7.443 -4.527 696 H ASP 84 H ASP 84 -19.128 -0.752 -2.500 697 HA ASP 84 HA ASP 84 -17.973 1.569 -1.490 698 HB2 ASP 84 1HB ASP 84 -19.965 1.921 -0.390 699 HB3 ASP 84 2HB ASP 84 -20.476 0.725 -1.579 700 H ASN 85 H ASN 85 -17.790 -1.693 -0.356 701 HA ASN 85 HA ASN 85 -17.016 -1.095 2.325 702 HB2 ASN 85 1HB ASN 85 -16.493 -3.619 0.741 703 HB3 ASN 85 2HB ASN 85 -16.456 -3.452 2.494 704 HD21 ASN 85 1HD2 ASN 85 -18.146 -4.923 0.356 705 HD22 ASN 85 2HD2 ASN 85 -19.763 -4.685 0.918 706 H PHE 86 H PHE 86 -15.417 -0.969 -0.673 707 HA PHE 86 HA PHE 86 -12.763 -1.460 0.320 708 HB2 PHE 86 1HB PHE 86 -13.806 -0.360 -2.291 709 HB3 PHE 86 2HB PHE 86 -12.090 -0.548 -1.947 710 HD1 PHE 86 2HD PHE 86 -15.093 -2.694 -1.388 711 HD2 PHE 86 1HD PHE 86 -11.209 -2.324 -3.090 712 HE1 PHE 86 2HE PHE 86 -15.204 -5.033 -2.141 713 HE2 PHE 86 1HE PHE 86 -11.314 -4.663 -3.847 714 HZ PHE 86 HZ PHE 86 -13.313 -6.021 -3.372 715 H ALA 87 H ALA 87 -14.881 1.068 0.654 716 HA ALA 87 HA ALA 87 -12.900 3.192 0.535 717 HB1 ALA 87 1HB ALA 87 -15.736 3.050 0.363 718 HB2 ALA 87 2HB ALA 87 -15.308 4.114 1.703 719 HB3 ALA 87 3HB ALA 87 -14.680 4.436 0.087 720 H GLY 88 H GLY 88 -11.577 3.533 2.190 721 HA2 GLY 88 1HA GLY 88 -12.362 4.106 4.785 722 HA3 GLY 88 2HA GLY 88 -11.978 2.392 4.764 723 H ASN 89 H ASN 89 -10.243 2.736 6.205 724 HA ASN 89 HA ASN 89 -8.001 4.327 5.199 725 HB2 ASN 89 1HB ASN 89 -8.707 4.690 7.535 726 HB3 ASN 89 2HB ASN 89 -8.380 2.996 7.890 727 HD21 ASN 89 1HD2 ASN 89 -6.676 5.633 6.228 728 HD22 ASN 89 2HD2 ASN 89 -5.183 5.424 7.072 729 H TYR 90 H TYR 90 -6.422 3.369 4.117 730 HA TYR 90 HA TYR 90 -6.127 0.461 4.303 731 HB2 TYR 90 1HB TYR 90 -5.306 2.507 2.261 732 HB3 TYR 90 2HB TYR 90 -4.563 0.912 2.281 733 HD1 TYR 90 2HD TYR 90 -7.983 2.426 2.394 734 HD2 TYR 90 1HD TYR 90 -5.497 -0.698 0.923 735 HE1 TYR 90 2HE TYR 90 -9.876 1.535 1.100 736 HE2 TYR 90 1HE TYR 90 -7.383 -1.596 -0.376 737 HH TYR 90 HH TYR 90 -10.626 -0.303 -0.039 738 H ARG 91 H ARG 91 -4.095 -0.520 4.616 739 HA ARG 91 HA ARG 91 -1.962 1.220 5.640 740 HB2 ARG 91 1HB ARG 91 -3.258 0.337 7.555 741 HB3 ARG 91 2HB ARG 91 -2.930 -1.300 7.002 742 HG2 ARG 91 1HG ARG 91 -0.532 -0.924 7.328 743 HG3 ARG 91 2HG ARG 91 -0.877 0.707 7.907 744 HD2 ARG 91 1HD ARG 91 -0.684 -0.478 9.881 745 HD3 ARG 91 2HD ARG 91 -2.425 -0.500 9.604 746 HE ARG 91 HE ARG 91 -1.157 -2.774 8.458 747 HH11 ARG 91 2HH1 ARG 91 -2.260 -1.426 11.473 748 HH12 ARG 91 1HH1 ARG 91 -2.503 -2.968 12.224 749 HH21 ARG 91 2HH2 ARG 91 -1.473 -4.811 9.436 750 HH22 ARG 91 1HH2 ARG 91 -2.054 -4.893 11.065 751 H CYS 92 H CYS 92 0.153 0.236 5.645 752 HA CYS 92 HA CYS 92 0.445 -2.228 4.109 753 HB2 CYS 92 1HB CYS 92 1.241 0.486 3.185 754 HB3 CYS 92 2HB CYS 92 2.359 -0.833 2.864 755 HG CYS 92 HG CYS 92 0.764 -0.302 0.591 756 H GLU 93 H GLU 93 2.361 -3.328 4.483 757 HA GLU 93 HA GLU 93 4.297 -2.106 6.309 758 HB2 GLU 93 1HB GLU 93 2.744 -4.635 6.798 759 HB3 GLU 93 2HB GLU 93 4.318 -4.375 7.538 760 HG2 GLU 93 1HG GLU 93 3.558 -2.611 8.840 761 HG3 GLU 93 2HG GLU 93 2.144 -2.342 7.821 762 H VAL 94 H VAL 94 6.261 -2.347 5.495 763 HA VAL 94 HA VAL 94 6.867 -4.783 3.952 764 HB VAL 94 HB VAL 94 7.754 -1.966 3.316 765 HG11 VAL 94 1HG1 VAL 94 8.963 -2.941 1.433 766 HG12 VAL 94 2HG1 VAL 94 9.573 -3.564 2.967 767 HG13 VAL 94 3HG1 VAL 94 8.511 -4.558 1.970 768 HG21 VAL 94 1HG2 VAL 94 5.418 -3.148 2.635 769 HG22 VAL 94 2HG2 VAL 94 6.232 -1.929 1.653 770 HG23 VAL 94 3HG2 VAL 94 6.440 -3.641 1.284 771 H THR 95 H THR 95 8.130 -5.901 5.317 772 HA THR 95 HA THR 95 10.166 -4.514 6.885 773 HB THR 95 HB THR 95 9.589 -7.473 6.941 774 HG1 THR 95 1HG THR 95 7.671 -6.178 7.369 775 HG21 THR 95 1HG2 THR 95 10.333 -6.076 9.398 776 HG22 THR 95 2HG2 THR 95 11.563 -5.983 8.138 777 HG23 THR 95 3HG2 THR 95 10.988 -7.554 8.694 778 H TYR 96 H TYR 96 12.150 -4.290 6.109 779 HA TYR 96 HA TYR 96 13.105 -6.208 4.093 780 HB2 TYR 96 1HB TYR 96 12.951 -3.791 3.432 781 HB3 TYR 96 2HB TYR 96 14.173 -3.434 4.646 782 HD1 TYR 96 2HD TYR 96 14.002 -6.315 2.297 783 HD2 TYR 96 1HD TYR 96 16.017 -2.732 3.395 784 HE1 TYR 96 2HE TYR 96 15.768 -6.813 0.658 785 HE2 TYR 96 1HE TYR 96 17.787 -3.219 1.758 786 HH TYR 96 HH TYR 96 17.846 -6.253 -0.037 787 H LYS 97 H LYS 97 15.476 -6.618 4.116 788 HA LYS 97 HA LYS 97 16.298 -7.741 6.523 789 HB2 LYS 97 1HB LYS 97 18.280 -6.807 4.471 790 HB3 LYS 97 2HB LYS 97 18.319 -8.260 5.460 791 HG2 LYS 97 1HG LYS 97 16.787 -7.710 2.963 792 HG3 LYS 97 2HG LYS 97 17.789 -9.100 3.387 793 HD2 LYS 97 1HD LYS 97 15.969 -9.485 5.222 794 HD3 LYS 97 2HD LYS 97 14.973 -8.477 4.170 795 HE2 LYS 97 1HE LYS 97 15.065 -10.008 2.415 796 HE3 LYS 97 2HE LYS 97 16.486 -10.819 3.073 797 HZ1 LYS 97 1HZ LYS 97 13.695 -10.975 4.055 798 HZ2 LYS 97 2HZ LYS 97 15.014 -11.536 4.953 799 HZ3 LYS 97 3HZ LYS 97 14.654 -12.232 3.454 800 H ASP 98 H ASP 98 17.335 -4.682 5.031 801 HA ASP 98 HA ASP 98 19.075 -3.922 7.120 802 HB2 ASP 98 1HB ASP 98 18.743 -2.988 4.666 803 HB3 ASP 98 2HB ASP 98 17.674 -1.852 5.485 804 H LYS 99 H LYS 99 15.997 -2.333 6.285 805 HA LYS 99 HA LYS 99 15.333 -2.220 9.139 806 HB2 LYS 99 1HB LYS 99 15.277 0.144 7.253 807 HB3 LYS 99 2HB LYS 99 14.637 0.145 8.892 808 HG2 LYS 99 1HG LYS 99 17.497 -0.564 8.386 809 HG3 LYS 99 2HG LYS 99 16.983 1.124 8.447 810 HD2 LYS 99 1HD LYS 99 16.111 -0.683 10.641 811 HD3 LYS 99 2HD LYS 99 17.800 -0.171 10.611 812 HE2 LYS 99 1HE LYS 99 16.874 1.510 11.865 813 HE3 LYS 99 2HE LYS 99 16.741 2.204 10.250 814 HZ1 LYS 99 1HZ LYS 99 14.512 2.049 10.271 815 HZ2 LYS 99 2HZ LYS 99 14.706 2.037 11.951 816 HZ3 LYS 99 3HZ LYS 99 14.494 0.582 11.114 817 H PHE 100 H PHE 100 13.029 -1.420 9.447 818 HA PHE 100 HA PHE 100 11.336 -2.508 7.294 819 HB2 PHE 100 1HB PHE 100 10.894 -4.008 8.968 820 HB3 PHE 100 2HB PHE 100 11.273 -2.857 10.245 821 HD1 PHE 100 1HD PHE 100 8.747 -3.262 7.525 822 HD2 PHE 100 2HD PHE 100 9.531 -2.197 11.571 823 HE1 PHE 100 1HE PHE 100 6.343 -2.881 7.887 824 HE2 PHE 100 2HE PHE 100 7.128 -1.815 11.939 825 HZ PHE 100 HZ PHE 100 5.531 -2.157 10.097 826 H ASP 101 H ASP 101 9.872 -1.191 6.426 827 HA ASP 101 HA ASP 101 9.169 1.271 7.885 828 HB2 ASP 101 1HB ASP 101 8.930 2.333 5.605 829 HB3 ASP 101 2HB ASP 101 10.579 1.941 6.081 830 H SER 102 H SER 102 7.052 2.056 7.636 831 HA SER 102 HA SER 102 5.143 0.403 6.175 832 HB2 SER 102 1HB SER 102 3.661 0.203 8.144 833 HB3 SER 102 2HB SER 102 5.202 -0.615 8.399 834 HG SER 102 HG SER 102 4.745 2.041 9.252 835 H CYS 103 H CYS 103 3.405 1.519 5.421 836 HA CYS 103 HA CYS 103 2.937 4.234 6.408 837 HB2 CYS 103 1HB CYS 103 3.618 3.472 3.578 838 HB3 CYS 103 2HB CYS 103 2.682 4.919 3.932 839 HG CYS 103 HG CYS 103 5.061 5.354 5.909 840 H SER 104 H SER 104 0.890 5.159 5.493 841 HA SER 104 HA SER 104 -1.052 3.134 4.668 842 HB2 SER 104 1HB SER 104 -1.265 4.839 7.150 843 HB3 SER 104 2HB SER 104 -2.674 4.103 6.386 844 HG SER 104 HG SER 104 -0.398 2.755 7.419 845 H PHE 105 H PHE 105 -3.147 4.130 4.017 846 HA PHE 105 HA PHE 105 -3.001 6.946 3.285 847 HB2 PHE 105 1HB PHE 105 -3.611 6.437 0.922 848 HB3 PHE 105 2HB PHE 105 -1.995 5.892 1.358 849 HD1 PHE 105 1HD PHE 105 -1.609 3.468 1.823 850 HD2 PHE 105 2HD PHE 105 -5.250 4.929 0.171 851 HE1 PHE 105 1HE PHE 105 -2.165 1.199 1.052 852 HE2 PHE 105 2HE PHE 105 -5.812 2.662 -0.602 853 HZ PHE 105 HZ PHE 105 -4.269 0.793 -0.162 854 H ASP 106 H ASP 106 -5.150 7.304 1.789 855 HA ASP 106 HA ASP 106 -7.373 5.986 3.200 856 HB2 ASP 106 1HB ASP 106 -8.532 8.059 3.456 857 HB3 ASP 106 2HB ASP 106 -6.897 8.312 4.059 858 H LEU 107 H LEU 107 -8.799 5.087 1.873 859 HA LEU 107 HA LEU 107 -8.850 5.976 -0.933 860 HB2 LEU 107 1HB LEU 107 -8.113 3.620 -0.401 861 HB3 LEU 107 2HB LEU 107 -9.766 3.313 0.126 862 HG LEU 107 HG LEU 107 -9.060 2.591 -2.243 863 HD11 LEU 107 1HD1 LEU 107 -11.361 2.580 -1.391 864 HD12 LEU 107 2HD1 LEU 107 -11.288 3.026 -3.095 865 HD13 LEU 107 3HD1 LEU 107 -11.537 4.269 -1.869 866 HD21 LEU 107 1HD2 LEU 107 -8.913 4.152 -3.925 867 HD22 LEU 107 2HD2 LEU 107 -8.116 5.001 -2.600 868 HD23 LEU 107 3HD2 LEU 107 -9.790 5.380 -3.012 869 H GLU 108 H GLU 108 -10.726 6.623 -1.839 870 HA GLU 108 HA GLU 108 -13.137 6.512 -0.149 871 HB2 GLU 108 1HB GLU 108 -11.999 8.655 -1.879 872 HB3 GLU 108 2HB GLU 108 -13.749 8.530 -1.771 873 HG2 GLU 108 1HG GLU 108 -13.653 8.785 0.632 874 HG3 GLU 108 2HG GLU 108 -11.892 8.817 0.580 875 H VAL 109 H VAL 109 -15.094 5.966 -1.076 876 HA VAL 109 HA VAL 109 -14.985 5.000 -3.860 877 HB VAL 109 HB VAL 109 -16.583 3.701 -1.653 878 HG11 VAL 109 1HG1 VAL 109 -17.363 3.476 -4.030 879 HG12 VAL 109 2HG1 VAL 109 -15.851 2.631 -4.372 880 HG13 VAL 109 3HG1 VAL 109 -16.999 1.956 -3.214 881 HG21 VAL 109 1HG2 VAL 109 -14.915 2.184 -1.256 882 HG22 VAL 109 2HG2 VAL 109 -14.186 2.400 -2.847 883 HG23 VAL 109 3HG2 VAL 109 -13.948 3.619 -1.595 884 H HIS 110 H HIS 110 -16.316 6.124 -5.105 885 HA HIS 110 HA HIS 110 -18.689 7.368 -3.903 886 HB2 HIS 110 1HB HIS 110 -17.186 7.966 -6.455 887 HB3 HIS 110 2HB HIS 110 -18.711 8.734 -6.022 888 HD1 HIS 110 1HD HIS 110 -17.353 11.009 -6.061 889 HD2 HIS 110 2HD HIS 110 -16.263 8.328 -3.081 890 HE1 HIS 110 1HE HIS 110 -16.007 12.348 -4.413 891 HE2 HIS 110 2HE HIS 110 -15.286 10.687 -2.662 892 H GLU 111 H GLU 111 -20.730 7.009 -4.686 893 HA GLU 111 HA GLU 111 -21.277 4.521 -5.869 894 HB2 GLU 111 1HB GLU 111 -23.054 6.955 -5.624 895 HB3 GLU 111 2HB GLU 111 -23.607 5.338 -6.036 896 HG2 GLU 111 1HG GLU 111 -22.390 4.737 -3.768 897 HG3 GLU 111 2HG GLU 111 -22.719 6.436 -3.431 898 H SER 112 H SER 112 -21.381 3.871 -7.919 899 HA SER 112 HA SER 112 -20.709 5.712 -10.027 900 HB2 SER 112 1HB SER 112 -19.832 3.373 -9.929 901 HB3 SER 112 2HB SER 112 -21.466 2.789 -10.244 902 HG SER 112 HG SER 112 -19.921 3.119 -12.094 903 H THR 113 H THR 113 -22.263 7.058 -10.691 904 HA THR 113 HA THR 113 -25.001 6.061 -10.992 905 HB THR 113 HB THR 113 -25.624 8.439 -11.307 906 HG1 THR 113 1HG THR 113 -24.060 10.026 -11.062 907 HG21 THR 113 1HG2 THR 113 -25.330 7.220 -9.018 908 HG22 THR 113 2HG2 THR 113 -25.589 8.964 -9.051 909 HG23 THR 113 3HG2 THR 113 -23.965 8.318 -8.820 910 H GLY 114 H GLY 114 -22.624 7.989 -12.831 911 HA2 GLY 114 1HA GLY 114 -22.226 7.057 -15.144 912 HA3 GLY 114 2HA GLY 114 -23.977 7.091 -15.299 913 H THR 115 H THR 115 -21.105 8.802 -15.755 914 HA THR 115 HA THR 115 -22.426 11.407 -15.854 915 HB THR 115 HB THR 115 -20.112 12.247 -16.418 916 HG1 THR 115 1HG THR 115 -19.107 9.801 -15.469 917 HG21 THR 115 1HG2 THR 115 -20.077 10.705 -13.843 918 HG22 THR 115 2HG2 THR 115 -21.180 12.061 -14.078 919 HG23 THR 115 3HG2 THR 115 -19.437 12.313 -14.181 920 H THR 116 H THR 116 -22.172 12.777 -17.748 921 HA THR 116 HA THR 116 -23.075 11.620 -20.097 922 HB THR 116 HB THR 116 -22.421 13.751 -21.221 923 HG1 THR 116 1HG THR 116 -21.656 14.865 -18.786 924 HG21 THR 116 1HG2 THR 116 -24.537 13.456 -19.884 925 HG22 THR 116 2HG2 THR 116 -23.981 15.122 -20.049 926 HG23 THR 116 3HG2 THR 116 -23.711 14.247 -18.542 927 HA PRO 117 HA PRO 117 -19.543 9.843 -22.026 928 HB2 PRO 117 1HB PRO 117 -20.328 9.980 -24.621 929 HB3 PRO 117 2HB PRO 117 -21.018 8.832 -23.468 930 HG2 PRO 117 1HG PRO 117 -22.105 11.459 -24.406 931 HG3 PRO 117 2HG PRO 117 -22.952 9.920 -24.163 932 HD2 PRO 117 1HD PRO 117 -23.050 11.938 -22.360 933 HD3 PRO 117 2HD PRO 117 -23.121 10.229 -21.885 934 H ASN 118 H ASN 118 -17.701 10.993 -21.998 935 HA ASN 118 HA ASN 118 -17.425 13.637 -22.938 936 HB2 ASN 118 1HB ASN 118 -15.082 13.392 -22.492 937 HB3 ASN 118 2HB ASN 118 -15.949 12.507 -21.241 938 HD21 ASN 118 1HD2 ASN 118 -15.342 10.500 -20.858 939 HD22 ASN 118 2HD2 ASN 118 -14.378 9.518 -21.903 940 H ILE 119 H ILE 119 -15.695 14.220 -24.608 941 HA ILE 119 HA ILE 119 -15.935 12.461 -26.960 942 HB ILE 119 HB ILE 119 -16.076 15.479 -26.954 943 HG12 ILE 119 1HG1 ILE 119 -18.198 13.530 -27.848 944 HG13 ILE 119 2HG1 ILE 119 -18.122 14.144 -26.200 945 HG21 ILE 119 1HG2 ILE 119 -15.790 13.459 -29.128 946 HG22 ILE 119 2HG2 ILE 119 -16.719 14.927 -29.431 947 HG23 ILE 119 3HG2 ILE 119 -15.026 15.039 -28.950 948 HD11 ILE 119 1HD1 ILE 119 -19.132 16.022 -26.790 949 HD12 ILE 119 2HD1 ILE 119 -17.989 16.296 -28.106 950 HD13 ILE 119 3HD1 ILE 119 -19.416 15.294 -28.370 951 H ASP 120 H ASP 120 -14.077 11.966 -27.934 952 HA ASP 120 HA ASP 120 -11.659 13.420 -27.108 953 HB2 ASP 120 1HB ASP 120 -12.162 10.587 -27.952 954 HB3 ASP 120 2HB ASP 120 -10.554 11.283 -28.135 955 H SER 121 H SER 121 -9.964 13.711 -28.725 956 HA SER 121 HA SER 121 -10.939 14.939 -31.063 957 HB2 SER 121 1HB SER 121 -8.103 14.022 -30.535 958 HB3 SER 121 2HB SER 121 -8.616 15.279 -31.661 959 HG SER 121 HG SER 121 -8.847 16.641 -30.054 960 H GLY 122 H GLY 122 -10.701 14.363 -33.257 961 HA2 GLY 122 1HA GLY 122 -11.564 11.965 -34.111 962 HA3 GLY 122 2HA GLY 122 -10.448 12.931 -35.065 963 HA PRO 123 HA PRO 123 -8.163 9.343 -32.667 964 HB2 PRO 123 1HB PRO 123 -9.621 7.053 -32.738 965 HB3 PRO 123 2HB PRO 123 -9.692 8.197 -31.392 966 HG2 PRO 123 1HG PRO 123 -11.569 7.870 -33.701 967 HG3 PRO 123 2HG PRO 123 -11.939 8.129 -31.986 968 HD2 PRO 123 1HD PRO 123 -12.019 10.127 -33.812 969 HD3 PRO 123 2HD PRO 123 -11.562 10.399 -32.118 970 H SER 124 H SER 124 -7.479 7.080 -33.575 971 HA SER 124 HA SER 124 -6.700 7.429 -36.239 972 HB2 SER 124 1HB SER 124 -5.472 5.997 -34.660 973 HB3 SER 124 2HB SER 124 -6.820 4.860 -34.638 974 HG SER 124 HG SER 124 -6.462 4.707 -36.980 975 H SER 125 H SER 125 -8.966 4.990 -34.951 976 HA SER 125 HA SER 125 -10.384 5.093 -37.533 977 HB2 SER 125 1HB SER 125 -10.751 2.725 -37.458 978 HB3 SER 125 2HB SER 125 -9.029 2.990 -37.180 979 HG SER 125 HG SER 125 -10.980 2.554 -35.162 980 H GLY 126 H GLY 126 -12.652 4.696 -37.468 981 HA2 GLY 126 1HA GLY 126 -13.838 5.508 -34.911 982 HA3 GLY 126 2HA GLY 126 -14.610 5.613 -36.486 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 10.174 10.482 21.210 2 HA2 GLY 1 1HA GLY 1 10.959 9.702 18.586 3 HA3 GLY 1 2HA GLY 1 10.820 11.450 18.701 4 H SER 2 H SER 2 12.939 8.960 18.899 5 HA SER 2 HA SER 2 14.663 10.332 20.851 6 HB2 SER 2 1HB SER 2 14.126 7.935 21.309 7 HB3 SER 2 2HB SER 2 14.929 7.506 19.798 8 HG SER 2 HG SER 2 16.326 7.314 21.603 9 H SER 3 H SER 3 14.934 8.491 17.807 10 HA SER 3 HA SER 3 16.771 10.506 16.777 11 HB2 SER 3 1HB SER 3 18.478 8.876 16.165 12 HB3 SER 3 2HB SER 3 18.206 8.825 17.907 13 HG SER 3 HG SER 3 16.560 7.086 17.079 14 H GLY 4 H GLY 4 17.090 10.374 14.475 15 HA2 GLY 4 1HA GLY 4 14.907 8.897 13.140 16 HA3 GLY 4 2HA GLY 4 15.501 10.464 12.611 17 H SER 5 H SER 5 15.466 7.358 11.762 18 HA SER 5 HA SER 5 18.033 6.528 11.230 19 HB2 SER 5 1HB SER 5 15.487 6.167 9.651 20 HB3 SER 5 2HB SER 5 17.000 5.391 9.184 21 HG SER 5 HG SER 5 15.855 3.984 10.487 22 H SER 6 H SER 6 18.806 6.307 8.783 23 HA SER 6 HA SER 6 18.990 9.061 7.750 24 HB2 SER 6 1HB SER 6 21.192 8.344 6.798 25 HB3 SER 6 2HB SER 6 21.138 8.305 8.560 26 HG SER 6 HG SER 6 21.873 6.347 8.218 27 H GLY 7 H GLY 7 17.161 8.833 6.402 28 HA2 GLY 7 1HA GLY 7 16.729 8.697 4.035 29 HA3 GLY 7 2HA GLY 7 17.715 7.244 3.983 30 H ILE 8 H ILE 8 14.731 8.125 3.473 31 HA ILE 8 HA ILE 8 13.240 6.335 5.144 32 HB ILE 8 HB ILE 8 12.385 7.650 2.563 33 HG12 ILE 8 1HG1 ILE 8 11.161 9.116 4.415 34 HG13 ILE 8 2HG1 ILE 8 12.545 8.616 5.381 35 HG21 ILE 8 1HG2 ILE 8 10.193 7.092 3.091 36 HG22 ILE 8 2HG2 ILE 8 11.091 5.643 3.541 37 HG23 ILE 8 3HG2 ILE 8 10.575 6.782 4.784 38 HD11 ILE 8 1HD1 ILE 8 12.399 10.738 3.577 39 HD12 ILE 8 2HD1 ILE 8 13.831 10.124 4.403 40 HD13 ILE 8 3HD1 ILE 8 13.411 9.520 2.800 41 H LEU 9 H LEU 9 13.041 4.216 4.900 42 HA LEU 9 HA LEU 9 14.257 2.757 2.843 43 HB2 LEU 9 1HB LEU 9 13.893 1.670 4.901 44 HB3 LEU 9 2HB LEU 9 12.172 2.050 4.885 45 HG LEU 9 HG LEU 9 11.968 0.486 2.913 46 HD11 LEU 9 1HD1 LEU 9 13.827 -0.273 1.975 47 HD12 LEU 9 2HD1 LEU 9 14.154 -1.185 3.448 48 HD13 LEU 9 3HD1 LEU 9 14.815 0.438 3.251 49 HD21 LEU 9 1HD2 LEU 9 12.513 -0.220 5.724 50 HD22 LEU 9 2HD2 LEU 9 12.539 -1.554 4.570 51 HD23 LEU 9 3HD2 LEU 9 11.099 -0.546 4.722 52 H PHE 10 H PHE 10 10.806 3.435 3.405 53 HA PHE 10 HA PHE 10 9.990 2.241 0.940 54 HB2 PHE 10 1HB PHE 10 8.658 2.751 3.188 55 HB3 PHE 10 2HB PHE 10 8.253 4.230 2.322 56 HD1 PHE 10 2HD PHE 10 8.534 0.616 1.417 57 HD2 PHE 10 1HD PHE 10 6.178 4.161 1.368 58 HE1 PHE 10 2HE PHE 10 6.759 -0.584 0.208 59 HE2 PHE 10 1HE PHE 10 4.399 2.966 0.160 60 HZ PHE 10 HZ PHE 10 4.689 0.591 -0.423 61 H ILE 11 H ILE 11 11.354 3.327 -0.574 62 HA ILE 11 HA ILE 11 11.837 5.892 -1.094 63 HB ILE 11 HB ILE 11 10.856 3.894 -3.132 64 HG12 ILE 11 1HG1 ILE 11 13.647 4.750 -2.335 65 HG13 ILE 11 2HG1 ILE 11 12.878 3.231 -1.888 66 HG21 ILE 11 1HG2 ILE 11 12.137 5.369 -4.742 67 HG22 ILE 11 2HG2 ILE 11 10.600 6.003 -4.156 68 HG23 ILE 11 3HG2 ILE 11 12.116 6.600 -3.480 69 HD11 ILE 11 1HD1 ILE 11 13.903 2.402 -3.680 70 HD12 ILE 11 2HD1 ILE 11 12.653 3.226 -4.613 71 HD13 ILE 11 3HD1 ILE 11 14.216 4.002 -4.353 72 H GLU 12 H GLU 12 9.024 4.513 -2.773 73 HA GLU 12 HA GLU 12 7.722 7.130 -2.600 74 HB2 GLU 12 1HB GLU 12 8.056 5.643 -4.768 75 HB3 GLU 12 2HB GLU 12 6.581 4.880 -4.192 76 HG2 GLU 12 1HG GLU 12 5.786 6.498 -5.623 77 HG3 GLU 12 2HG GLU 12 5.662 7.286 -4.051 78 H LYS 13 H LYS 13 5.445 7.262 -2.095 79 HA LYS 13 HA LYS 13 4.435 5.033 -0.465 80 HB2 LYS 13 1HB LYS 13 4.094 7.915 0.346 81 HB3 LYS 13 2HB LYS 13 3.777 6.473 1.302 82 HG2 LYS 13 1HG LYS 13 6.009 6.116 1.753 83 HG3 LYS 13 2HG LYS 13 6.547 7.034 0.344 84 HD2 LYS 13 1HD LYS 13 6.260 9.068 1.395 85 HD3 LYS 13 2HD LYS 13 5.059 8.433 2.523 86 HE2 LYS 13 1HE LYS 13 7.996 7.747 2.565 87 HE3 LYS 13 2HE LYS 13 7.236 8.965 3.587 88 HZ1 LYS 13 1HZ LYS 13 5.724 7.074 4.328 89 HZ2 LYS 13 2HZ LYS 13 7.314 7.065 4.902 90 HZ3 LYS 13 3HZ LYS 13 6.866 6.035 3.638 91 HA PRO 14 HA PRO 14 0.885 5.669 -3.046 92 HB2 PRO 14 1HB PRO 14 -0.752 3.919 -1.768 93 HB3 PRO 14 2HB PRO 14 0.543 3.405 -2.855 94 HG2 PRO 14 1HG PRO 14 0.518 3.527 0.136 95 HG3 PRO 14 2HG PRO 14 1.153 2.258 -0.927 96 HD2 PRO 14 1HD PRO 14 2.747 4.102 0.252 97 HD3 PRO 14 2HD PRO 14 3.108 3.406 -1.341 98 H GLN 15 H GLN 15 0.014 7.655 -2.724 99 HA GLN 15 HA GLN 15 -1.101 8.421 -0.174 100 HB2 GLN 15 1HB GLN 15 -1.000 9.818 -2.849 101 HB3 GLN 15 2HB GLN 15 -1.715 10.524 -1.405 102 HG2 GLN 15 1HG GLN 15 1.164 9.769 -1.833 103 HG3 GLN 15 2HG GLN 15 0.491 11.390 -1.663 104 HE21 GLN 15 1HE2 GLN 15 1.989 8.872 -0.088 105 HE22 GLN 15 2HE2 GLN 15 1.676 9.349 1.543 106 H GLY 16 H GLY 16 -2.359 6.145 -1.249 107 HA2 GLY 16 1HA GLY 16 -4.407 5.325 -1.969 108 HA3 GLY 16 2HA GLY 16 -4.983 6.476 -0.772 109 H GLY 17 H GLY 17 -6.906 6.656 -2.077 110 HA2 GLY 17 1HA GLY 17 -6.993 8.946 -3.655 111 HA3 GLY 17 2HA GLY 17 -6.845 7.583 -4.755 112 H THR 18 H THR 18 -8.921 8.137 -5.597 113 HA THR 18 HA THR 18 -11.097 7.035 -3.968 114 HB THR 18 HB THR 18 -11.555 9.478 -5.665 115 HG1 THR 18 1HG THR 18 -10.379 9.294 -3.169 116 HG21 THR 18 1HG2 THR 18 -13.083 8.001 -3.543 117 HG22 THR 18 2HG2 THR 18 -13.592 8.435 -5.175 118 HG23 THR 18 3HG2 THR 18 -13.452 9.680 -3.934 119 H VAL 19 H VAL 19 -11.991 5.411 -5.041 120 HA VAL 19 HA VAL 19 -12.017 5.509 -7.987 121 HB VAL 19 HB VAL 19 -10.608 3.698 -7.042 122 HG11 VAL 19 1HG1 VAL 19 -13.202 2.554 -6.017 123 HG12 VAL 19 2HG1 VAL 19 -11.593 1.845 -5.868 124 HG13 VAL 19 3HG1 VAL 19 -11.986 3.334 -5.007 125 HG21 VAL 19 1HG2 VAL 19 -12.179 1.825 -8.215 126 HG22 VAL 19 2HG2 VAL 19 -12.892 3.308 -8.850 127 HG23 VAL 19 3HG2 VAL 19 -11.177 2.978 -9.097 128 H LYS 20 H LYS 20 -13.890 5.041 -9.071 129 HA LYS 20 HA LYS 20 -16.337 5.399 -7.636 130 HB2 LYS 20 1HB LYS 20 -15.796 6.189 -10.009 131 HB3 LYS 20 2HB LYS 20 -16.091 4.529 -10.510 132 HG2 LYS 20 1HG LYS 20 -18.087 5.746 -10.889 133 HG3 LYS 20 2HG LYS 20 -18.366 4.716 -9.483 134 HD2 LYS 20 1HD LYS 20 -19.272 6.826 -8.929 135 HD3 LYS 20 2HD LYS 20 -17.736 6.721 -8.064 136 HE2 LYS 20 1HE LYS 20 -17.602 8.836 -8.954 137 HE3 LYS 20 2HE LYS 20 -16.792 7.891 -10.202 138 HZ1 LYS 20 1HZ LYS 20 -18.389 9.457 -11.136 139 HZ2 LYS 20 2HZ LYS 20 -19.641 8.728 -10.264 140 HZ3 LYS 20 3HZ LYS 20 -18.836 7.860 -11.472 141 H VAL 21 H VAL 21 -18.155 3.944 -7.663 142 HA VAL 21 HA VAL 21 -17.510 1.333 -6.845 143 HB VAL 21 HB VAL 21 -20.152 2.525 -7.685 144 HG11 VAL 21 1HG1 VAL 21 -21.054 0.498 -7.658 145 HG12 VAL 21 2HG1 VAL 21 -19.474 -0.216 -7.332 146 HG13 VAL 21 3HG1 VAL 21 -20.511 0.281 -5.995 147 HG21 VAL 21 1HG2 VAL 21 -19.633 3.598 -5.731 148 HG22 VAL 21 2HG2 VAL 21 -20.432 2.163 -5.088 149 HG23 VAL 21 3HG2 VAL 21 -18.671 2.254 -5.117 150 H GLY 22 H GLY 22 -17.059 -0.435 -7.979 151 HA2 GLY 22 1HA GLY 22 -17.416 -2.047 -9.656 152 HA3 GLY 22 2HA GLY 22 -18.310 -0.852 -10.584 153 H GLU 23 H GLU 23 -15.918 1.014 -9.940 154 HA GLU 23 HA GLU 23 -14.550 0.510 -12.408 155 HB2 GLU 23 1HB GLU 23 -14.524 2.626 -10.329 156 HB3 GLU 23 2HB GLU 23 -13.064 2.449 -11.292 157 HG2 GLU 23 1HG GLU 23 -14.608 4.125 -12.200 158 HG3 GLU 23 2HG GLU 23 -14.300 2.803 -13.324 159 H ASP 24 H ASP 24 -11.978 0.995 -12.141 160 HA ASP 24 HA ASP 24 -10.945 -0.902 -10.144 161 HB2 ASP 24 1HB ASP 24 -10.440 -0.862 -13.109 162 HB3 ASP 24 2HB ASP 24 -9.267 -1.564 -11.998 163 H ILE 25 H ILE 25 -9.186 -0.232 -9.071 164 HA ILE 25 HA ILE 25 -7.689 2.064 -10.145 165 HB ILE 25 HB ILE 25 -9.090 2.971 -8.426 166 HG12 ILE 25 1HG1 ILE 25 -6.396 2.538 -7.134 167 HG13 ILE 25 2HG1 ILE 25 -6.625 3.596 -8.522 168 HG21 ILE 25 1HG2 ILE 25 -9.244 2.105 -6.202 169 HG22 ILE 25 2HG2 ILE 25 -9.561 0.783 -7.325 170 HG23 ILE 25 3HG2 ILE 25 -7.992 0.905 -6.528 171 HD11 ILE 25 1HD1 ILE 25 -8.560 4.327 -6.617 172 HD12 ILE 25 2HD1 ILE 25 -7.028 4.145 -5.761 173 HD13 ILE 25 3HD1 ILE 25 -7.143 5.236 -7.142 174 H THR 26 H THR 26 -5.507 2.276 -9.327 175 HA THR 26 HA THR 26 -4.386 -0.155 -8.128 176 HB THR 26 HB THR 26 -3.040 1.173 -10.474 177 HG1 THR 26 1HG THR 26 -5.131 -0.658 -10.425 178 HG21 THR 26 1HG2 THR 26 -2.721 -1.651 -9.498 179 HG22 THR 26 2HG2 THR 26 -1.807 -0.321 -8.786 180 HG23 THR 26 3HG2 THR 26 -1.627 -0.697 -10.499 181 H PHE 27 H PHE 27 -2.730 0.189 -6.732 182 HA PHE 27 HA PHE 27 -1.925 2.989 -6.322 183 HB2 PHE 27 1HB PHE 27 -1.793 0.704 -4.345 184 HB3 PHE 27 2HB PHE 27 -1.476 2.403 -4.010 185 HD1 PHE 27 1HD PHE 27 -4.064 -0.094 -4.703 186 HD2 PHE 27 2HD PHE 27 -3.269 3.974 -3.736 187 HE1 PHE 27 1HE PHE 27 -6.436 0.230 -4.135 188 HE2 PHE 27 2HE PHE 27 -5.639 4.305 -3.165 189 HZ PHE 27 HZ PHE 27 -7.226 2.432 -3.364 190 H ILE 28 H ILE 28 0.232 3.528 -6.056 191 HA ILE 28 HA ILE 28 2.128 1.510 -7.036 192 HB ILE 28 HB ILE 28 2.305 4.522 -6.997 193 HG12 ILE 28 1HG1 ILE 28 0.854 3.542 -8.742 194 HG13 ILE 28 2HG1 ILE 28 2.278 4.318 -9.426 195 HG21 ILE 28 1HG2 ILE 28 4.351 2.445 -7.722 196 HG22 ILE 28 2HG2 ILE 28 4.426 4.099 -8.327 197 HG23 ILE 28 3HG2 ILE 28 4.506 3.790 -6.593 198 HD11 ILE 28 1HD1 ILE 28 3.332 2.043 -9.531 199 HD12 ILE 28 2HD1 ILE 28 1.752 1.381 -9.113 200 HD13 ILE 28 3HD1 ILE 28 1.957 2.300 -10.604 201 H ALA 29 H ALA 29 4.097 1.151 -6.003 202 HA ALA 29 HA ALA 29 4.788 2.544 -3.583 203 HB1 ALA 29 1HB ALA 29 3.142 0.226 -3.402 204 HB2 ALA 29 2HB ALA 29 4.727 -0.147 -2.724 205 HB3 ALA 29 3HB ALA 29 3.802 1.220 -2.103 206 H LYS 30 H LYS 30 6.906 2.781 -3.806 207 HA LYS 30 HA LYS 30 8.461 0.584 -5.000 208 HB2 LYS 30 1HB LYS 30 8.705 3.551 -5.100 209 HB3 LYS 30 2HB LYS 30 10.190 2.608 -5.138 210 HG2 LYS 30 1HG LYS 30 9.761 1.752 -7.201 211 HG3 LYS 30 2HG LYS 30 8.010 1.819 -6.988 212 HD2 LYS 30 1HD LYS 30 9.513 4.384 -7.101 213 HD3 LYS 30 2HD LYS 30 9.283 3.486 -8.603 214 HE2 LYS 30 1HE LYS 30 6.796 3.366 -7.782 215 HE3 LYS 30 2HE LYS 30 7.262 4.768 -6.821 216 HZ1 LYS 30 1HZ LYS 30 6.294 5.230 -9.086 217 HZ2 LYS 30 2HZ LYS 30 7.731 4.623 -9.741 218 HZ3 LYS 30 3HZ LYS 30 7.767 5.990 -8.745 219 H VAL 31 H VAL 31 10.411 -0.059 -4.049 220 HA VAL 31 HA VAL 31 10.963 0.986 -1.358 221 HB VAL 31 HB VAL 31 10.785 -1.941 -2.086 222 HG11 VAL 31 1HG1 VAL 31 11.091 -1.884 0.601 223 HG12 VAL 31 2HG1 VAL 31 12.415 -2.123 -0.542 224 HG13 VAL 31 3HG1 VAL 31 12.104 -0.520 0.127 225 HG21 VAL 31 1HG2 VAL 31 9.164 -1.635 0.033 226 HG22 VAL 31 2HG2 VAL 31 8.987 -0.045 -0.708 227 HG23 VAL 31 3HG2 VAL 31 8.611 -1.496 -1.636 228 H LYS 32 H LYS 32 13.087 1.140 -0.825 229 HA LYS 32 HA LYS 32 15.007 0.901 -2.943 230 HB2 LYS 32 1HB LYS 32 14.903 2.670 -1.055 231 HB3 LYS 32 2HB LYS 32 15.691 1.447 -0.067 232 HG2 LYS 32 1HG LYS 32 17.441 2.753 -0.868 233 HG3 LYS 32 2HG LYS 32 17.446 1.337 -1.922 234 HD2 LYS 32 1HD LYS 32 15.831 2.868 -3.363 235 HD3 LYS 32 2HD LYS 32 16.693 4.153 -2.514 236 HE2 LYS 32 1HE LYS 32 18.798 2.733 -3.238 237 HE3 LYS 32 2HE LYS 32 17.695 2.165 -4.491 238 HZ1 LYS 32 1HZ LYS 32 18.915 4.061 -5.279 239 HZ2 LYS 32 2HZ LYS 32 18.439 4.988 -3.948 240 HZ3 LYS 32 3HZ LYS 32 17.292 4.498 -5.090 241 H ALA 33 H ALA 33 16.466 -0.666 -3.297 242 HA ALA 33 HA ALA 33 16.842 -2.725 -1.232 243 HB1 ALA 33 1HB ALA 33 15.751 -4.204 -2.478 244 HB2 ALA 33 2HB ALA 33 15.601 -3.058 -3.810 245 HB3 ALA 33 3HB ALA 33 17.042 -4.065 -3.671 246 H GLU 34 H GLU 34 18.830 -3.918 -1.401 247 HA GLU 34 HA GLU 34 20.887 -2.590 -3.036 248 HB2 GLU 34 1HB GLU 34 21.264 -3.569 -0.201 249 HB3 GLU 34 2HB GLU 34 22.469 -2.769 -1.200 250 HG2 GLU 34 1HG GLU 34 21.119 -0.737 -1.211 251 HG3 GLU 34 2HG GLU 34 19.905 -1.537 -0.215 252 H ASP 35 H ASP 35 20.028 -5.499 -1.198 253 HA ASP 35 HA ASP 35 21.939 -7.057 -2.776 254 HB2 ASP 35 1HB ASP 35 21.562 -7.170 -0.157 255 HB3 ASP 35 2HB ASP 35 20.273 -8.278 -0.620 256 H LEU 36 H LEU 36 21.249 -8.006 -4.565 257 HA LEU 36 HA LEU 36 18.603 -8.117 -5.421 258 HB2 LEU 36 1HB LEU 36 20.866 -9.927 -6.251 259 HB3 LEU 36 2HB LEU 36 19.381 -9.636 -7.154 260 HG LEU 36 HG LEU 36 21.620 -7.680 -6.649 261 HD11 LEU 36 1HD1 LEU 36 22.240 -7.977 -8.816 262 HD12 LEU 36 2HD1 LEU 36 20.613 -8.402 -9.344 263 HD13 LEU 36 3HD1 LEU 36 21.600 -9.588 -8.490 264 HD21 LEU 36 1HD2 LEU 36 20.019 -6.119 -6.744 265 HD22 LEU 36 2HD2 LEU 36 18.809 -7.257 -7.337 266 HD23 LEU 36 3HD2 LEU 36 19.945 -6.511 -8.462 267 H LEU 37 H LEU 37 20.593 -10.638 -3.908 268 HA LEU 37 HA LEU 37 18.798 -12.747 -4.027 269 HB2 LEU 37 1HB LEU 37 20.651 -12.160 -1.727 270 HB3 LEU 37 2HB LEU 37 20.015 -13.732 -2.206 271 HG LEU 37 HG LEU 37 21.720 -12.198 -4.119 272 HD11 LEU 37 1HD1 LEU 37 23.485 -12.217 -2.779 273 HD12 LEU 37 2HD1 LEU 37 23.391 -13.977 -2.735 274 HD13 LEU 37 3HD1 LEU 37 22.564 -13.020 -1.507 275 HD21 LEU 37 1HD2 LEU 37 20.519 -14.302 -4.737 276 HD22 LEU 37 2HD2 LEU 37 21.507 -15.149 -3.546 277 HD23 LEU 37 3HD2 LEU 37 22.271 -14.373 -4.934 278 H ARG 38 H ARG 38 19.072 -10.172 -1.613 279 HA ARG 38 HA ARG 38 16.956 -11.203 0.021 280 HB2 ARG 38 1HB ARG 38 18.328 -8.510 -0.026 281 HB3 ARG 38 2HB ARG 38 17.137 -8.991 1.175 282 HG2 ARG 38 1HG ARG 38 19.632 -10.586 0.710 283 HG3 ARG 38 2HG ARG 38 19.602 -9.192 1.792 284 HD2 ARG 38 1HD ARG 38 19.121 -10.845 3.289 285 HD3 ARG 38 2HD ARG 38 17.487 -10.440 2.764 286 HE ARG 38 HE ARG 38 17.325 -12.506 1.789 287 HH11 ARG 38 2HH1 ARG 38 20.664 -11.840 2.513 288 HH12 ARG 38 1HH1 ARG 38 21.203 -13.440 2.124 289 HH21 ARG 38 2HH2 ARG 38 18.022 -14.616 1.275 290 HH22 ARG 38 1HH2 ARG 38 19.700 -15.018 1.419 291 H LYS 39 H LYS 39 14.846 -10.984 -0.289 292 HA LYS 39 HA LYS 39 13.888 -8.761 -1.968 293 HB2 LYS 39 1HB LYS 39 13.702 -10.744 -3.301 294 HB3 LYS 39 2HB LYS 39 12.989 -11.643 -1.968 295 HG2 LYS 39 1HG LYS 39 11.018 -10.154 -2.071 296 HG3 LYS 39 2HG LYS 39 11.728 -9.367 -3.482 297 HD2 LYS 39 1HD LYS 39 10.991 -12.286 -3.262 298 HD3 LYS 39 2HD LYS 39 10.085 -11.052 -4.141 299 HE2 LYS 39 1HE LYS 39 12.353 -10.667 -5.370 300 HE3 LYS 39 2HE LYS 39 12.730 -12.286 -4.784 301 HZ1 LYS 39 1HZ LYS 39 10.146 -12.265 -5.908 302 HZ2 LYS 39 2HZ LYS 39 11.504 -13.149 -6.393 303 HZ3 LYS 39 3HZ LYS 39 11.235 -11.600 -7.018 304 HA PRO 40 HA PRO 40 11.598 -7.955 1.783 305 HB2 PRO 40 1HB PRO 40 10.431 -5.674 0.886 306 HB3 PRO 40 2HB PRO 40 12.107 -5.741 1.444 307 HG2 PRO 40 1HG PRO 40 11.038 -5.788 -1.352 308 HG3 PRO 40 2HG PRO 40 12.426 -4.898 -0.700 309 HD2 PRO 40 1HD PRO 40 12.697 -7.204 -2.093 310 HD3 PRO 40 2HD PRO 40 13.808 -6.741 -0.788 311 H THR 41 H THR 41 9.343 -7.733 2.375 312 HA THR 41 HA THR 41 7.506 -8.774 0.317 313 HB THR 41 HB THR 41 7.315 -9.344 3.277 314 HG1 THR 41 1HG THR 41 8.937 -10.649 2.825 315 HG21 THR 41 1HG2 THR 41 5.184 -9.572 2.266 316 HG22 THR 41 2HG2 THR 41 5.833 -11.207 2.395 317 HG23 THR 41 3HG2 THR 41 5.862 -10.366 0.845 318 H ILE 42 H ILE 42 5.501 -7.867 0.150 319 HA ILE 42 HA ILE 42 4.937 -5.589 1.934 320 HB ILE 42 HB ILE 42 5.498 -4.812 -0.311 321 HG12 ILE 42 1HG1 ILE 42 2.514 -4.553 0.054 322 HG13 ILE 42 2HG1 ILE 42 3.668 -3.739 1.105 323 HG21 ILE 42 1HG2 ILE 42 4.636 -5.628 -2.245 324 HG22 ILE 42 2HG2 ILE 42 4.464 -7.078 -1.257 325 HG23 ILE 42 3HG2 ILE 42 3.079 -6.018 -1.516 326 HD11 ILE 42 1HD1 ILE 42 4.522 -3.078 -1.431 327 HD12 ILE 42 2HD1 ILE 42 2.762 -3.042 -1.551 328 HD13 ILE 42 3HD1 ILE 42 3.584 -2.060 -0.338 329 H LYS 43 H LYS 43 3.029 -5.570 2.950 330 HA LYS 43 HA LYS 43 0.911 -7.377 1.998 331 HB2 LYS 43 1HB LYS 43 2.162 -8.324 3.963 332 HB3 LYS 43 2HB LYS 43 1.608 -6.946 4.906 333 HG2 LYS 43 1HG LYS 43 0.008 -8.447 5.478 334 HG3 LYS 43 2HG LYS 43 -0.753 -7.766 4.038 335 HD2 LYS 43 1HD LYS 43 -0.952 -10.095 3.788 336 HD3 LYS 43 2HD LYS 43 0.397 -9.639 2.746 337 HE2 LYS 43 1HE LYS 43 1.839 -10.165 4.850 338 HE3 LYS 43 2HE LYS 43 0.423 -11.079 5.366 339 HZ1 LYS 43 1HZ LYS 43 2.111 -12.393 4.129 340 HZ2 LYS 43 2HZ LYS 43 1.767 -11.474 2.752 341 HZ3 LYS 43 3HZ LYS 43 0.565 -12.443 3.443 342 H TRP 44 H TRP 44 -0.805 -6.207 1.477 343 HA TRP 44 HA TRP 44 -1.192 -3.562 2.591 344 HB2 TRP 44 1HB TRP 44 -2.956 -5.055 0.641 345 HB3 TRP 44 2HB TRP 44 -2.960 -3.323 0.964 346 HD1 TRP 44 HD TRP 44 -0.727 -6.026 -0.655 347 HE1 TRP 44 1HE TRP 44 0.786 -4.879 -2.394 348 HE3 TRP 44 3HE TRP 44 -2.002 -1.158 0.244 349 HZ2 TRP 44 2HZ TRP 44 1.362 -2.258 -3.268 350 HZ3 TRP 44 3HZ TRP 44 -0.924 0.609 -1.086 351 HH2 TRP 44 HH TRP 44 0.723 0.069 -2.805 352 H PHE 45 H PHE 45 -2.687 -2.963 4.060 353 HA PHE 45 HA PHE 45 -4.623 -4.986 4.962 354 HB2 PHE 45 1HB PHE 45 -2.763 -3.301 6.623 355 HB3 PHE 45 2HB PHE 45 -4.254 -3.952 7.295 356 HD1 PHE 45 1HD PHE 45 -4.600 -6.477 7.178 357 HD2 PHE 45 2HD PHE 45 -0.835 -4.594 6.550 358 HE1 PHE 45 1HE PHE 45 -3.460 -8.606 7.650 359 HE2 PHE 45 2HE PHE 45 0.311 -6.719 7.020 360 HZ PHE 45 HZ PHE 45 -1.001 -8.729 7.570 361 H LYS 46 H LYS 46 -6.531 -4.132 5.986 362 HA LYS 46 HA LYS 46 -7.038 -1.280 5.559 363 HB2 LYS 46 1HB LYS 46 -7.845 -2.943 3.646 364 HB3 LYS 46 2HB LYS 46 -9.189 -3.179 4.755 365 HG2 LYS 46 1HG LYS 46 -9.166 -0.529 4.752 366 HG3 LYS 46 2HG LYS 46 -8.426 -0.794 3.172 367 HD2 LYS 46 1HD LYS 46 -10.320 -1.723 2.290 368 HD3 LYS 46 2HD LYS 46 -10.865 -2.354 3.846 369 HE2 LYS 46 1HE LYS 46 -11.073 0.237 4.386 370 HE3 LYS 46 2HE LYS 46 -11.248 0.331 2.635 371 HZ1 LYS 46 1HZ LYS 46 -13.404 0.106 3.534 372 HZ2 LYS 46 2HZ LYS 46 -12.946 -1.171 4.543 373 HZ3 LYS 46 3HZ LYS 46 -13.021 -1.402 2.869 374 H GLY 47 H GLY 47 -9.055 -0.549 6.628 375 HA2 GLY 47 1HA GLY 47 -10.376 -0.376 8.496 376 HA3 GLY 47 2HA GLY 47 -10.498 -2.128 8.441 377 H LYS 48 H LYS 48 -10.042 -2.935 10.372 378 HA LYS 48 HA LYS 48 -7.930 -1.671 11.976 379 HB2 LYS 48 1HB LYS 48 -10.313 -2.021 12.874 380 HB3 LYS 48 2HB LYS 48 -9.893 -3.727 12.967 381 HG2 LYS 48 1HG LYS 48 -8.236 -3.340 14.587 382 HG3 LYS 48 2HG LYS 48 -8.236 -1.601 14.286 383 HD2 LYS 48 1HD LYS 48 -10.760 -2.899 15.194 384 HD3 LYS 48 2HD LYS 48 -9.475 -2.626 16.374 385 HE2 LYS 48 1HE LYS 48 -9.497 -0.278 15.965 386 HE3 LYS 48 2HE LYS 48 -10.555 -0.470 14.568 387 HZ1 LYS 48 1HZ LYS 48 -11.694 -1.573 16.944 388 HZ2 LYS 48 2HZ LYS 48 -12.344 -0.446 15.863 389 HZ3 LYS 48 3HZ LYS 48 -11.342 0.072 17.124 390 H TRP 49 H TRP 49 -9.187 -4.946 11.317 391 HA TRP 49 HA TRP 49 -6.402 -5.903 11.309 392 HB2 TRP 49 1HB TRP 49 -8.648 -7.638 12.290 393 HB3 TRP 49 2HB TRP 49 -6.920 -7.778 12.602 394 HD1 TRP 49 HD TRP 49 -10.064 -6.094 13.891 395 HE1 TRP 49 1HE TRP 49 -9.537 -4.919 16.119 396 HE3 TRP 49 3HE TRP 49 -4.975 -6.579 13.881 397 HZ2 TRP 49 2HZ TRP 49 -7.265 -4.281 17.668 398 HZ3 TRP 49 3HZ TRP 49 -3.699 -5.659 15.773 399 HH2 TRP 49 HH TRP 49 -4.822 -4.533 17.626 400 H MET 50 H MET 50 -8.512 -5.174 9.225 401 HA MET 50 HA MET 50 -9.132 -7.655 7.918 402 HB2 MET 50 1HB MET 50 -10.439 -5.439 7.793 403 HB3 MET 50 2HB MET 50 -9.225 -4.941 6.623 404 HG2 MET 50 1HG MET 50 -11.044 -7.327 6.387 405 HG3 MET 50 2HG MET 50 -11.204 -5.801 5.520 406 HE1 MET 50 1HE MET 50 -11.036 -6.576 2.985 407 HE2 MET 50 2HE MET 50 -10.092 -5.169 3.473 408 HE3 MET 50 3HE MET 50 -9.387 -6.374 2.394 409 H ASP 51 H ASP 51 -7.945 -8.737 6.479 410 HA ASP 51 HA ASP 51 -5.458 -7.485 5.529 411 HB2 ASP 51 1HB ASP 51 -5.128 -9.499 6.886 412 HB3 ASP 51 2HB ASP 51 -6.165 -10.415 5.796 413 H LEU 52 H LEU 52 -5.606 -6.730 3.527 414 HA LEU 52 HA LEU 52 -7.598 -7.483 1.677 415 HB2 LEU 52 1HB LEU 52 -4.978 -6.190 0.974 416 HB3 LEU 52 2HB LEU 52 -6.521 -6.044 0.137 417 HG LEU 52 HG LEU 52 -6.020 -4.963 2.905 418 HD11 LEU 52 1HD1 LEU 52 -4.715 -3.456 1.891 419 HD12 LEU 52 2HD1 LEU 52 -6.224 -2.798 1.260 420 HD13 LEU 52 3HD1 LEU 52 -5.272 -3.913 0.280 421 HD21 LEU 52 1HD2 LEU 52 -8.333 -5.206 1.181 422 HD22 LEU 52 2HD2 LEU 52 -8.014 -3.527 1.620 423 HD23 LEU 52 3HD2 LEU 52 -8.234 -4.742 2.880 424 H ALA 53 H ALA 53 -4.332 -8.597 2.244 425 HA ALA 53 HA ALA 53 -3.696 -9.881 -0.095 426 HB1 ALA 53 1HB ALA 53 -3.109 -11.479 2.291 427 HB2 ALA 53 2HB ALA 53 -2.021 -10.804 1.077 428 HB3 ALA 53 3HB ALA 53 -2.609 -9.790 2.395 429 H SER 54 H SER 54 -5.976 -10.885 2.377 430 HA SER 54 HA SER 54 -6.378 -13.507 1.280 431 HB2 SER 54 1HB SER 54 -6.746 -13.068 3.669 432 HB3 SER 54 2HB SER 54 -8.044 -11.943 3.269 433 HG SER 54 HG SER 54 -8.031 -14.686 2.542 434 H LYS 55 H LYS 55 -7.838 -10.359 0.905 435 HA LYS 55 HA LYS 55 -10.205 -11.254 -0.410 436 HB2 LYS 55 1HB LYS 55 -8.904 -8.532 -0.587 437 HB3 LYS 55 2HB LYS 55 -10.582 -8.925 -0.935 438 HG2 LYS 55 1HG LYS 55 -9.328 -9.266 1.776 439 HG3 LYS 55 2HG LYS 55 -10.177 -7.805 1.264 440 HD2 LYS 55 1HD LYS 55 -12.225 -8.994 1.003 441 HD3 LYS 55 2HD LYS 55 -11.417 -10.551 1.200 442 HE2 LYS 55 1HE LYS 55 -11.175 -8.574 3.402 443 HE3 LYS 55 2HE LYS 55 -12.733 -9.369 3.184 444 HZ1 LYS 55 1HZ LYS 55 -11.892 -11.061 4.317 445 HZ2 LYS 55 2HZ LYS 55 -10.334 -10.403 4.300 446 HZ3 LYS 55 3HZ LYS 55 -10.856 -11.372 3.016 447 H ALA 56 H ALA 56 -6.955 -10.599 -1.416 448 HA ALA 56 HA ALA 56 -7.300 -10.074 -4.126 449 HB1 ALA 56 1HB ALA 56 -5.062 -10.222 -4.254 450 HB2 ALA 56 2HB ALA 56 -5.153 -10.338 -2.496 451 HB3 ALA 56 3HB ALA 56 -5.017 -11.801 -3.471 452 H GLY 57 H GLY 57 -8.376 -11.227 -5.584 453 HA2 GLY 57 1HA GLY 57 -7.746 -13.961 -6.097 454 HA3 GLY 57 2HA GLY 57 -9.312 -13.811 -5.313 455 H LYS 58 H LYS 58 -10.894 -12.355 -6.365 456 HA LYS 58 HA LYS 58 -10.540 -12.353 -9.291 457 HB2 LYS 58 1HB LYS 58 -12.279 -13.952 -8.085 458 HB3 LYS 58 2HB LYS 58 -13.265 -12.496 -8.082 459 HG2 LYS 58 1HG LYS 58 -12.574 -12.438 -10.626 460 HG3 LYS 58 2HG LYS 58 -12.351 -14.169 -10.358 461 HD2 LYS 58 1HD LYS 58 -14.869 -12.728 -9.564 462 HD3 LYS 58 2HD LYS 58 -14.641 -13.413 -11.175 463 HE2 LYS 58 1HE LYS 58 -14.301 -15.617 -10.211 464 HE3 LYS 58 2HE LYS 58 -14.445 -14.949 -8.586 465 HZ1 LYS 58 1HZ LYS 58 -16.530 -15.847 -9.063 466 HZ2 LYS 58 2HZ LYS 58 -16.551 -15.238 -10.641 467 HZ3 LYS 58 3HZ LYS 58 -16.734 -14.188 -9.327 468 H HIS 59 H HIS 59 -11.965 -10.725 -6.507 469 HA HIS 59 HA HIS 59 -12.859 -8.471 -8.070 470 HB2 HIS 59 1HB HIS 59 -12.795 -9.052 -5.112 471 HB3 HIS 59 2HB HIS 59 -13.305 -7.492 -5.751 472 HD1 HIS 59 1HD HIS 59 -15.358 -7.740 -7.601 473 HD2 HIS 59 2HD HIS 59 -14.832 -10.805 -4.846 474 HE1 HIS 59 1HE HIS 59 -17.537 -8.995 -7.567 475 HE2 HIS 59 2HE HIS 59 -17.224 -10.792 -5.831 476 H LEU 60 H LEU 60 -10.133 -9.273 -6.009 477 HA LEU 60 HA LEU 60 -8.873 -6.735 -6.805 478 HB2 LEU 60 1HB LEU 60 -9.428 -6.489 -4.507 479 HB3 LEU 60 2HB LEU 60 -8.821 -8.100 -4.125 480 HG LEU 60 HG LEU 60 -6.867 -6.155 -5.210 481 HD11 LEU 60 1HD1 LEU 60 -8.247 -4.837 -3.608 482 HD12 LEU 60 2HD1 LEU 60 -6.560 -5.021 -3.131 483 HD13 LEU 60 3HD1 LEU 60 -7.807 -5.996 -2.353 484 HD21 LEU 60 1HD2 LEU 60 -6.899 -8.357 -3.168 485 HD22 LEU 60 2HD2 LEU 60 -5.538 -7.245 -3.324 486 HD23 LEU 60 3HD2 LEU 60 -6.001 -8.270 -4.684 487 H GLN 61 H GLN 61 -6.737 -6.820 -7.394 488 HA GLN 61 HA GLN 61 -5.335 -9.379 -7.172 489 HB2 GLN 61 1HB GLN 61 -5.680 -7.852 -9.758 490 HB3 GLN 61 2HB GLN 61 -4.638 -9.251 -9.539 491 HG2 GLN 61 1HG GLN 61 -7.515 -9.511 -8.850 492 HG3 GLN 61 2HG GLN 61 -7.053 -9.472 -10.551 493 HE21 GLN 61 1HE2 GLN 61 -6.795 -11.212 -7.546 494 HE22 GLN 61 2HE2 GLN 61 -6.231 -12.698 -8.224 495 H LEU 62 H LEU 62 -3.450 -8.985 -6.240 496 HA LEU 62 HA LEU 62 -2.303 -6.332 -6.272 497 HB2 LEU 62 1HB LEU 62 -1.042 -8.781 -5.083 498 HB3 LEU 62 2HB LEU 62 -0.817 -7.096 -4.619 499 HG LEU 62 HG LEU 62 -3.363 -8.659 -4.195 500 HD11 LEU 62 1HD1 LEU 62 -2.160 -9.682 -2.598 501 HD12 LEU 62 2HD1 LEU 62 -2.374 -8.166 -1.724 502 HD13 LEU 62 3HD1 LEU 62 -0.887 -8.462 -2.626 503 HD21 LEU 62 1HD2 LEU 62 -3.665 -6.710 -2.525 504 HD22 LEU 62 2HD2 LEU 62 -3.975 -6.422 -4.238 505 HD23 LEU 62 3HD2 LEU 62 -2.458 -5.888 -3.514 506 H LYS 63 H LYS 63 0.064 -6.068 -6.686 507 HA LYS 63 HA LYS 63 1.086 -7.870 -8.760 508 HB2 LYS 63 1HB LYS 63 -0.106 -5.585 -9.515 509 HB3 LYS 63 2HB LYS 63 1.509 -4.965 -9.199 510 HG2 LYS 63 1HG LYS 63 2.473 -6.410 -10.817 511 HG3 LYS 63 2HG LYS 63 0.970 -7.319 -10.990 512 HD2 LYS 63 1HD LYS 63 -0.101 -5.532 -12.094 513 HD3 LYS 63 2HD LYS 63 1.150 -4.382 -11.613 514 HE2 LYS 63 1HE LYS 63 2.710 -5.990 -12.974 515 HE3 LYS 63 2HE LYS 63 1.199 -6.471 -13.745 516 HZ1 LYS 63 1HZ LYS 63 2.520 -4.585 -14.797 517 HZ2 LYS 63 2HZ LYS 63 1.969 -3.628 -13.517 518 HZ3 LYS 63 3HZ LYS 63 0.860 -4.339 -14.578 519 H GLU 64 H GLU 64 3.377 -7.756 -9.075 520 HA GLU 64 HA GLU 64 4.947 -6.162 -7.234 521 HB2 GLU 64 1HB GLU 64 4.617 -7.919 -5.728 522 HB3 GLU 64 2HB GLU 64 4.665 -9.139 -6.993 523 HG2 GLU 64 1HG GLU 64 7.112 -8.492 -7.288 524 HG3 GLU 64 2HG GLU 64 6.947 -7.650 -5.749 525 H THR 65 H THR 65 6.862 -5.632 -8.096 526 HA THR 65 HA THR 65 8.082 -7.325 -10.128 527 HB THR 65 HB THR 65 6.512 -5.654 -11.265 528 HG1 THR 65 1HG THR 65 9.141 -5.212 -12.143 529 HG21 THR 65 1HG2 THR 65 7.488 -3.392 -11.590 530 HG22 THR 65 2HG2 THR 65 8.686 -3.768 -10.351 531 HG23 THR 65 3HG2 THR 65 6.974 -3.696 -9.931 532 H PHE 66 H PHE 66 10.282 -6.668 -10.659 533 HA PHE 66 HA PHE 66 11.506 -4.930 -8.626 534 HB2 PHE 66 1HB PHE 66 12.023 -7.102 -7.845 535 HB3 PHE 66 2HB PHE 66 12.349 -7.696 -9.470 536 HD1 PHE 66 1HD PHE 66 13.587 -5.113 -7.081 537 HD2 PHE 66 2HD PHE 66 14.538 -7.944 -10.114 538 HE1 PHE 66 1HE PHE 66 15.981 -4.641 -6.767 539 HE2 PHE 66 2HE PHE 66 16.933 -7.477 -9.804 540 HZ PHE 66 HZ PHE 66 17.658 -5.824 -8.128 541 H GLU 67 H GLU 67 13.432 -3.869 -9.249 542 HA GLU 67 HA GLU 67 14.021 -3.938 -12.132 543 HB2 GLU 67 1HB GLU 67 13.356 -1.605 -10.393 544 HB3 GLU 67 2HB GLU 67 14.532 -1.379 -11.680 545 HG2 GLU 67 1HG GLU 67 12.948 -1.975 -13.346 546 HG3 GLU 67 2HG GLU 67 11.789 -2.517 -12.134 547 H ARG 68 H ARG 68 15.915 -5.063 -11.970 548 HA ARG 68 HA ARG 68 17.880 -4.695 -9.999 549 HB2 ARG 68 1HB ARG 68 19.361 -5.669 -11.995 550 HB3 ARG 68 2HB ARG 68 18.243 -6.669 -11.078 551 HG2 ARG 68 1HG ARG 68 17.100 -5.311 -13.424 552 HG3 ARG 68 2HG ARG 68 18.308 -6.552 -13.763 553 HD2 ARG 68 1HD ARG 68 16.862 -7.885 -11.973 554 HD3 ARG 68 2HD ARG 68 15.606 -6.797 -12.562 555 HE ARG 68 HE ARG 68 15.609 -7.916 -14.572 556 HH11 ARG 68 2HH1 ARG 68 18.349 -8.906 -12.665 557 HH12 ARG 68 1HH1 ARG 68 18.764 -10.226 -13.709 558 HH21 ARG 68 2HH2 ARG 68 16.145 -9.650 -15.953 559 HH22 ARG 68 1HH2 ARG 68 17.510 -10.648 -15.579 560 H HIS 69 H HIS 69 17.140 -2.921 -12.871 561 HA HIS 69 HA HIS 69 19.536 -1.742 -13.541 562 HB2 HIS 69 1HB HIS 69 16.977 -0.159 -13.437 563 HB3 HIS 69 2HB HIS 69 18.294 -0.037 -14.599 564 HD1 HIS 69 1HD HIS 69 15.274 -2.087 -13.769 565 HD2 HIS 69 2HD HIS 69 18.190 -1.848 -16.719 566 HE1 HIS 69 1HE HIS 69 14.460 -3.558 -15.639 567 HE2 HIS 69 2HE HIS 69 16.281 -3.465 -17.377 568 H SER 70 H SER 70 17.275 -0.791 -10.986 569 HA SER 70 HA SER 70 19.390 0.937 -9.878 570 HB2 SER 70 1HB SER 70 16.408 1.373 -9.987 571 HB3 SER 70 2HB SER 70 17.438 2.241 -8.849 572 HG SER 70 HG SER 70 18.442 3.248 -10.505 573 H ARG 71 H ARG 71 18.072 -1.931 -9.461 574 HA ARG 71 HA ARG 71 17.775 -3.371 -7.725 575 HB2 ARG 71 1HB ARG 71 19.618 -1.326 -6.516 576 HB3 ARG 71 2HB ARG 71 19.046 -2.700 -5.579 577 HG2 ARG 71 1HG ARG 71 19.918 -4.056 -7.659 578 HG3 ARG 71 2HG ARG 71 20.919 -2.620 -7.882 579 HD2 ARG 71 1HD ARG 71 20.765 -3.819 -5.166 580 HD3 ARG 71 2HD ARG 71 21.711 -4.661 -6.393 581 HE ARG 71 HE ARG 71 22.432 -2.275 -5.027 582 HH11 ARG 71 2HH1 ARG 71 22.690 -3.907 -8.091 583 HH12 ARG 71 1HH1 ARG 71 24.165 -3.116 -8.536 584 HH21 ARG 71 2HH2 ARG 71 24.375 -1.226 -5.602 585 HH22 ARG 71 1HH2 ARG 71 25.124 -1.592 -7.119 586 H VAL 72 H VAL 72 15.724 -1.457 -8.153 587 HA VAL 72 HA VAL 72 14.726 -1.091 -5.402 588 HB VAL 72 HB VAL 72 14.139 0.591 -7.841 589 HG11 VAL 72 1HG1 VAL 72 13.100 1.062 -5.060 590 HG12 VAL 72 2HG1 VAL 72 12.606 1.842 -6.563 591 HG13 VAL 72 3HG1 VAL 72 12.192 0.153 -6.267 592 HG21 VAL 72 1HG2 VAL 72 15.064 2.385 -6.243 593 HG22 VAL 72 2HG2 VAL 72 15.743 1.028 -5.345 594 HG23 VAL 72 3HG2 VAL 72 16.207 1.294 -7.026 595 H TYR 73 H TYR 73 12.763 -1.907 -4.902 596 HA TYR 73 HA TYR 73 11.468 -3.565 -6.925 597 HB2 TYR 73 1HB TYR 73 11.205 -3.403 -3.924 598 HB3 TYR 73 2HB TYR 73 10.133 -4.382 -4.918 599 HD1 TYR 73 2HD TYR 73 13.712 -3.885 -4.045 600 HD2 TYR 73 1HD TYR 73 10.759 -6.544 -5.566 601 HE1 TYR 73 2HE TYR 73 15.344 -5.724 -3.981 602 HE2 TYR 73 1HE TYR 73 12.382 -8.391 -5.505 603 HH TYR 73 HH TYR 73 15.703 -7.881 -4.343 604 H THR 74 H THR 74 9.190 -3.511 -7.269 605 HA THR 74 HA THR 74 7.822 -1.064 -6.403 606 HB THR 74 HB THR 74 7.863 -2.035 -9.267 607 HG1 THR 74 1HG THR 74 9.674 -0.907 -9.210 608 HG21 THR 74 1HG2 THR 74 6.800 0.624 -8.503 609 HG22 THR 74 2HG2 THR 74 5.808 -0.778 -8.101 610 HG23 THR 74 3HG2 THR 74 6.280 -0.481 -9.774 611 H PHE 75 H PHE 75 6.156 -1.823 -5.264 612 HA PHE 75 HA PHE 75 4.691 -4.157 -6.293 613 HB2 PHE 75 1HB PHE 75 4.453 -3.032 -3.508 614 HB3 PHE 75 2HB PHE 75 3.998 -4.633 -4.080 615 HD1 PHE 75 1HD PHE 75 6.068 -5.954 -5.179 616 HD2 PHE 75 2HD PHE 75 6.343 -2.897 -2.230 617 HE1 PHE 75 1HE PHE 75 8.261 -6.827 -4.484 618 HE2 PHE 75 2HE PHE 75 8.537 -3.764 -1.531 619 HZ PHE 75 HZ PHE 75 9.499 -5.731 -2.659 620 H GLU 76 H GLU 76 2.601 -3.989 -6.869 621 HA GLU 76 HA GLU 76 1.251 -1.418 -6.365 622 HB2 GLU 76 1HB GLU 76 0.830 -3.154 -8.798 623 HB3 GLU 76 2HB GLU 76 0.231 -1.523 -8.528 624 HG2 GLU 76 1HG GLU 76 2.220 -0.553 -9.034 625 HG3 GLU 76 2HG GLU 76 3.164 -1.928 -8.464 626 H MET 77 H MET 77 -1.180 -1.602 -6.601 627 HA MET 77 HA MET 77 -2.205 -4.222 -5.792 628 HB2 MET 77 1HB MET 77 -1.704 -2.890 -3.738 629 HB3 MET 77 2HB MET 77 -2.851 -1.678 -4.294 630 HG2 MET 77 1HG MET 77 -3.864 -4.439 -4.153 631 HG3 MET 77 2HG MET 77 -3.471 -3.677 -2.614 632 HE1 MET 77 1HE MET 77 -5.997 -1.867 -1.536 633 HE2 MET 77 2HE MET 77 -4.241 -1.840 -1.700 634 HE3 MET 77 3HE MET 77 -5.216 -0.573 -2.446 635 H GLN 78 H GLN 78 -3.570 -4.627 -7.420 636 HA GLN 78 HA GLN 78 -5.209 -2.477 -8.516 637 HB2 GLN 78 1HB GLN 78 -3.918 -4.507 -9.750 638 HB3 GLN 78 2HB GLN 78 -5.507 -5.233 -9.551 639 HG2 GLN 78 1HG GLN 78 -6.529 -3.375 -10.729 640 HG3 GLN 78 2HG GLN 78 -4.958 -2.592 -10.886 641 HE21 GLN 78 1HE2 GLN 78 -3.349 -4.672 -11.582 642 HE22 GLN 78 2HE2 GLN 78 -3.824 -5.298 -13.120 643 H ILE 79 H ILE 79 -7.343 -2.266 -8.182 644 HA ILE 79 HA ILE 79 -8.707 -4.397 -6.668 645 HB ILE 79 HB ILE 79 -9.131 -1.417 -6.413 646 HG12 ILE 79 1HG1 ILE 79 -7.590 -3.429 -4.858 647 HG13 ILE 79 2HG1 ILE 79 -7.260 -1.720 -5.126 648 HG21 ILE 79 1HG2 ILE 79 -10.369 -3.436 -4.603 649 HG22 ILE 79 2HG2 ILE 79 -10.903 -1.804 -5.003 650 HG23 ILE 79 3HG2 ILE 79 -11.111 -3.111 -6.169 651 HD11 ILE 79 1HD1 ILE 79 -8.901 -3.036 -3.038 652 HD12 ILE 79 2HD1 ILE 79 -7.777 -1.682 -2.916 653 HD13 ILE 79 3HD1 ILE 79 -9.386 -1.434 -3.594 654 H ILE 80 H ILE 80 -10.018 -5.378 -8.075 655 HA ILE 80 HA ILE 80 -11.380 -3.827 -10.136 656 HB ILE 80 HB ILE 80 -11.685 -6.788 -9.751 657 HG12 ILE 80 1HG1 ILE 80 -9.740 -6.636 -11.630 658 HG13 ILE 80 2HG1 ILE 80 -9.281 -5.284 -10.599 659 HG21 ILE 80 1HG2 ILE 80 -12.956 -6.507 -11.553 660 HG22 ILE 80 2HG2 ILE 80 -12.449 -4.827 -11.721 661 HG23 ILE 80 3HG2 ILE 80 -11.487 -6.115 -12.446 662 HD11 ILE 80 1HD1 ILE 80 -8.837 -6.645 -8.794 663 HD12 ILE 80 2HD1 ILE 80 -9.857 -7.952 -9.396 664 HD13 ILE 80 3HD1 ILE 80 -8.298 -7.631 -10.153 665 H LYS 81 H LYS 81 -13.480 -3.310 -10.093 666 HA LYS 81 HA LYS 81 -15.645 -3.127 -9.417 667 HB2 LYS 81 1HB LYS 81 -15.190 -5.786 -8.051 668 HB3 LYS 81 2HB LYS 81 -16.747 -5.054 -8.415 669 HG2 LYS 81 1HG LYS 81 -15.769 -5.105 -10.879 670 HG3 LYS 81 2HG LYS 81 -14.833 -6.439 -10.202 671 HD2 LYS 81 1HD LYS 81 -17.023 -7.384 -9.365 672 HD3 LYS 81 2HD LYS 81 -17.829 -6.166 -10.356 673 HE2 LYS 81 1HE LYS 81 -16.435 -7.089 -12.292 674 HE3 LYS 81 2HE LYS 81 -16.099 -8.460 -11.235 675 HZ1 LYS 81 1HZ LYS 81 -18.804 -8.143 -11.088 676 HZ2 LYS 81 2HZ LYS 81 -17.988 -9.308 -12.002 677 HZ3 LYS 81 3HZ LYS 81 -18.464 -7.852 -12.720 678 H ALA 82 H ALA 82 -13.886 -1.682 -7.984 679 HA ALA 82 HA ALA 82 -13.719 -2.059 -5.244 680 HB1 ALA 82 1HB ALA 82 -14.135 0.722 -6.133 681 HB2 ALA 82 2HB ALA 82 -12.834 0.016 -5.173 682 HB3 ALA 82 3HB ALA 82 -12.831 -0.161 -6.927 683 H LYS 83 H LYS 83 -15.418 -2.598 -4.015 684 HA LYS 83 HA LYS 83 -18.035 -1.460 -4.460 685 HB2 LYS 83 1HB LYS 83 -17.122 -3.230 -2.189 686 HB3 LYS 83 2HB LYS 83 -18.779 -2.927 -2.693 687 HG2 LYS 83 1HG LYS 83 -18.466 -4.137 -4.720 688 HG3 LYS 83 2HG LYS 83 -16.728 -4.261 -4.442 689 HD2 LYS 83 1HD LYS 83 -17.465 -5.454 -2.234 690 HD3 LYS 83 2HD LYS 83 -18.974 -5.713 -3.112 691 HE2 LYS 83 1HE LYS 83 -17.238 -7.556 -3.269 692 HE3 LYS 83 2HE LYS 83 -17.901 -6.965 -4.792 693 HZ1 LYS 83 1HZ LYS 83 -15.304 -7.244 -4.347 694 HZ2 LYS 83 2HZ LYS 83 -15.494 -5.641 -3.841 695 HZ3 LYS 83 3HZ LYS 83 -15.935 -6.090 -5.411 696 H ASP 84 H ASP 84 -19.271 -0.559 -2.579 697 HA ASP 84 HA ASP 84 -18.031 1.763 -1.616 698 HB2 ASP 84 1HB ASP 84 -20.053 2.227 -0.500 699 HB3 ASP 84 2HB ASP 84 -20.533 1.284 -1.908 700 H ASN 85 H ASN 85 -17.848 -1.434 -0.509 701 HA ASN 85 HA ASN 85 -17.308 -0.765 2.255 702 HB2 ASN 85 1HB ASN 85 -17.410 -3.309 0.670 703 HB3 ASN 85 2HB ASN 85 -16.630 -3.292 2.249 704 HD21 ASN 85 1HD2 ASN 85 -17.903 -3.941 3.810 705 HD22 ASN 85 2HD2 ASN 85 -19.611 -3.696 3.909 706 H PHE 86 H PHE 86 -15.590 -0.567 -0.562 707 HA PHE 86 HA PHE 86 -13.027 -1.400 0.512 708 HB2 PHE 86 1HB PHE 86 -13.866 -0.217 -2.135 709 HB3 PHE 86 2HB PHE 86 -12.183 -0.523 -1.719 710 HD1 PHE 86 2HD PHE 86 -15.349 -2.458 -1.303 711 HD2 PHE 86 1HD PHE 86 -11.376 -2.355 -2.828 712 HE1 PHE 86 2HE PHE 86 -15.587 -4.783 -2.070 713 HE2 PHE 86 1HE PHE 86 -11.608 -4.680 -3.599 714 HZ PHE 86 HZ PHE 86 -13.715 -5.898 -3.219 715 H ALA 87 H ALA 87 -14.944 1.355 0.605 716 HA ALA 87 HA ALA 87 -12.796 3.288 0.633 717 HB1 ALA 87 1HB ALA 87 -15.260 4.280 1.738 718 HB2 ALA 87 2HB ALA 87 -14.423 4.752 0.258 719 HB3 ALA 87 3HB ALA 87 -15.559 3.403 0.237 720 H GLY 88 H GLY 88 -11.472 3.407 2.325 721 HA2 GLY 88 1HA GLY 88 -12.379 4.008 4.924 722 HA3 GLY 88 2HA GLY 88 -11.952 2.305 4.854 723 H ASN 89 H ASN 89 -10.225 2.527 6.279 724 HA ASN 89 HA ASN 89 -7.991 4.203 5.363 725 HB2 ASN 89 1HB ASN 89 -8.746 4.644 7.654 726 HB3 ASN 89 2HB ASN 89 -8.490 2.953 8.074 727 HD21 ASN 89 1HD2 ASN 89 -6.648 5.516 6.443 728 HD22 ASN 89 2HD2 ASN 89 -5.194 5.275 7.344 729 H TYR 90 H TYR 90 -6.410 3.213 4.315 730 HA TYR 90 HA TYR 90 -6.078 0.320 4.624 731 HB2 TYR 90 1HB TYR 90 -5.184 2.285 2.523 732 HB3 TYR 90 2HB TYR 90 -4.538 0.649 2.598 733 HD1 TYR 90 2HD TYR 90 -7.912 2.265 2.768 734 HD2 TYR 90 1HD TYR 90 -5.504 -0.841 1.138 735 HE1 TYR 90 2HE TYR 90 -9.844 1.450 1.482 736 HE2 TYR 90 1HE TYR 90 -7.429 -1.663 -0.154 737 HH TYR 90 HH TYR 90 -10.644 -0.333 0.292 738 H ARG 91 H ARG 91 -3.757 -0.469 4.459 739 HA ARG 91 HA ARG 91 -1.794 1.302 5.673 740 HB2 ARG 91 1HB ARG 91 -2.872 0.407 7.634 741 HB3 ARG 91 2HB ARG 91 -2.771 -1.230 6.998 742 HG2 ARG 91 1HG ARG 91 -1.056 -1.166 8.542 743 HG3 ARG 91 2HG ARG 91 -0.222 -0.838 7.022 744 HD2 ARG 91 1HD ARG 91 0.597 0.707 8.643 745 HD3 ARG 91 2HD ARG 91 -0.433 1.600 7.526 746 HE ARG 91 HE ARG 91 -1.844 2.065 9.263 747 HH11 ARG 91 2HH1 ARG 91 0.236 -0.576 10.169 748 HH12 ARG 91 1HH1 ARG 91 -0.303 -0.606 11.816 749 HH21 ARG 91 2HH2 ARG 91 -2.562 2.034 11.427 750 HH22 ARG 91 1HH2 ARG 91 -1.895 0.878 12.530 751 H CYS 92 H CYS 92 0.280 0.787 5.146 752 HA CYS 92 HA CYS 92 0.660 -1.653 3.539 753 HB2 CYS 92 1HB CYS 92 0.827 0.358 2.166 754 HB3 CYS 92 2HB CYS 92 2.027 1.031 3.264 755 HG CYS 92 HG CYS 92 2.873 -1.958 2.025 756 H GLU 93 H GLU 93 2.090 -3.079 4.272 757 HA GLU 93 HA GLU 93 4.107 -2.164 6.216 758 HB2 GLU 93 1HB GLU 93 2.427 -4.666 6.236 759 HB3 GLU 93 2HB GLU 93 3.908 -4.525 7.172 760 HG2 GLU 93 1HG GLU 93 2.370 -3.918 8.737 761 HG3 GLU 93 2HG GLU 93 2.773 -2.340 8.062 762 H VAL 94 H VAL 94 6.128 -2.483 5.581 763 HA VAL 94 HA VAL 94 6.762 -4.792 3.890 764 HB VAL 94 HB VAL 94 7.682 -1.977 3.289 765 HG11 VAL 94 1HG1 VAL 94 9.064 -2.806 1.653 766 HG12 VAL 94 2HG1 VAL 94 9.215 -4.066 2.880 767 HG13 VAL 94 3HG1 VAL 94 8.154 -4.307 1.491 768 HG21 VAL 94 1HG2 VAL 94 6.400 -3.119 1.073 769 HG22 VAL 94 2HG2 VAL 94 5.364 -3.458 2.460 770 HG23 VAL 94 3HG2 VAL 94 5.821 -1.796 2.086 771 H THR 95 H THR 95 8.333 -5.905 4.823 772 HA THR 95 HA THR 95 10.174 -4.517 6.643 773 HB THR 95 HB THR 95 9.854 -7.505 6.428 774 HG1 THR 95 1HG THR 95 8.477 -7.047 8.408 775 HG21 THR 95 1HG2 THR 95 10.627 -7.386 8.797 776 HG22 THR 95 2HG2 THR 95 10.869 -5.652 8.584 777 HG23 THR 95 3HG2 THR 95 11.813 -6.797 7.633 778 H TYR 96 H TYR 96 12.432 -5.134 6.639 779 HA TYR 96 HA TYR 96 13.447 -6.470 4.267 780 HB2 TYR 96 1HB TYR 96 13.129 -3.984 3.748 781 HB3 TYR 96 2HB TYR 96 14.431 -3.690 4.895 782 HD1 TYR 96 2HD TYR 96 14.049 -6.389 2.351 783 HD2 TYR 96 1HD TYR 96 16.238 -2.968 3.621 784 HE1 TYR 96 2HE TYR 96 15.699 -6.792 0.572 785 HE2 TYR 96 1HE TYR 96 17.894 -3.361 1.845 786 HH TYR 96 HH TYR 96 18.115 -6.236 0.143 787 H LYS 97 H LYS 97 15.991 -6.311 4.358 788 HA LYS 97 HA LYS 97 17.016 -7.838 6.276 789 HB2 LYS 97 1HB LYS 97 18.409 -5.391 5.171 790 HB3 LYS 97 2HB LYS 97 19.210 -6.743 5.961 791 HG2 LYS 97 1HG LYS 97 18.960 -8.123 4.169 792 HG3 LYS 97 2HG LYS 97 17.479 -7.333 3.625 793 HD2 LYS 97 1HD LYS 97 18.911 -6.575 2.019 794 HD3 LYS 97 2HD LYS 97 19.148 -5.310 3.228 795 HE2 LYS 97 1HE LYS 97 21.118 -6.494 4.072 796 HE3 LYS 97 2HE LYS 97 20.878 -7.756 2.865 797 HZ1 LYS 97 1HZ LYS 97 22.128 -5.206 2.591 798 HZ2 LYS 97 2HZ LYS 97 20.916 -5.427 1.432 799 HZ3 LYS 97 3HZ LYS 97 22.180 -6.544 1.557 800 H ASP 98 H ASP 98 17.566 -4.335 6.602 801 HA ASP 98 HA ASP 98 16.960 -4.570 9.468 802 HB2 ASP 98 1HB ASP 98 19.331 -3.094 8.303 803 HB3 ASP 98 2HB ASP 98 18.882 -3.143 10.006 804 H LYS 99 H LYS 99 15.491 -3.510 7.119 805 HA LYS 99 HA LYS 99 14.969 -0.840 8.213 806 HB2 LYS 99 1HB LYS 99 15.013 -1.362 5.244 807 HB3 LYS 99 2HB LYS 99 14.884 0.188 6.066 808 HG2 LYS 99 1HG LYS 99 17.312 -1.460 6.536 809 HG3 LYS 99 2HG LYS 99 17.145 -0.617 4.994 810 HD2 LYS 99 1HD LYS 99 16.662 0.863 7.543 811 HD3 LYS 99 2HD LYS 99 18.319 0.552 7.018 812 HE2 LYS 99 1HE LYS 99 16.384 1.674 5.052 813 HE3 LYS 99 2HE LYS 99 17.031 2.740 6.299 814 HZ1 LYS 99 1HZ LYS 99 18.673 1.127 4.423 815 HZ2 LYS 99 2HZ LYS 99 19.256 2.222 5.573 816 HZ3 LYS 99 3HZ LYS 99 18.352 2.780 4.256 817 H PHE 100 H PHE 100 12.891 -0.593 8.683 818 HA PHE 100 HA PHE 100 10.864 -1.899 7.034 819 HB2 PHE 100 1HB PHE 100 10.952 -3.548 8.673 820 HB3 PHE 100 2HB PHE 100 11.329 -2.399 9.952 821 HD1 PHE 100 1HD PHE 100 8.648 -3.768 7.841 822 HD2 PHE 100 2HD PHE 100 9.610 -1.290 11.166 823 HE1 PHE 100 1HE PHE 100 6.274 -3.717 8.485 824 HE2 PHE 100 2HE PHE 100 7.238 -1.236 11.816 825 HZ PHE 100 HZ PHE 100 5.566 -2.450 10.476 826 H ASP 101 H ASP 101 9.258 -0.545 6.582 827 HA ASP 101 HA ASP 101 8.495 1.514 8.503 828 HB2 ASP 101 1HB ASP 101 10.261 2.385 6.828 829 HB3 ASP 101 2HB ASP 101 8.964 2.304 5.638 830 H SER 102 H SER 102 6.353 1.878 8.537 831 HA SER 102 HA SER 102 4.743 0.690 6.372 832 HB2 SER 102 1HB SER 102 3.057 0.102 7.987 833 HB3 SER 102 2HB SER 102 4.604 -0.497 8.584 834 HG SER 102 HG SER 102 4.631 1.652 9.735 835 H CYS 103 H CYS 103 3.063 1.857 5.539 836 HA CYS 103 HA CYS 103 2.536 4.507 6.690 837 HB2 CYS 103 1HB CYS 103 2.640 5.572 4.545 838 HB3 CYS 103 2HB CYS 103 4.133 4.666 4.758 839 HG CYS 103 HG CYS 103 3.438 4.403 2.102 840 H SER 104 H SER 104 0.442 5.180 6.612 841 HA SER 104 HA SER 104 -1.486 3.291 5.430 842 HB2 SER 104 1HB SER 104 -3.076 4.030 7.147 843 HB3 SER 104 2HB SER 104 -1.598 3.418 7.889 844 HG SER 104 HG SER 104 -2.664 5.661 8.436 845 H PHE 105 H PHE 105 -3.109 4.041 4.139 846 HA PHE 105 HA PHE 105 -3.130 6.932 3.576 847 HB2 PHE 105 1HB PHE 105 -3.818 6.167 1.202 848 HB3 PHE 105 2HB PHE 105 -2.122 6.047 1.659 849 HD1 PHE 105 1HD PHE 105 -1.316 3.772 2.549 850 HD2 PHE 105 2HD PHE 105 -4.937 4.317 0.378 851 HE1 PHE 105 1HE PHE 105 -1.331 1.378 1.980 852 HE2 PHE 105 2HE PHE 105 -4.958 1.924 -0.193 853 HZ PHE 105 HZ PHE 105 -3.155 0.451 0.609 854 H ASP 106 H ASP 106 -5.219 7.286 2.032 855 HA ASP 106 HA ASP 106 -7.493 6.009 3.402 856 HB2 ASP 106 1HB ASP 106 -8.650 8.286 3.028 857 HB3 ASP 106 2HB ASP 106 -7.484 8.155 4.341 858 H LEU 107 H LEU 107 -8.911 5.077 2.085 859 HA LEU 107 HA LEU 107 -8.885 5.847 -0.759 860 HB2 LEU 107 1HB LEU 107 -8.072 3.537 -0.150 861 HB3 LEU 107 2HB LEU 107 -9.721 3.181 0.359 862 HG LEU 107 HG LEU 107 -8.919 2.438 -1.989 863 HD11 LEU 107 1HD1 LEU 107 -11.512 3.932 -1.623 864 HD12 LEU 107 2HD1 LEU 107 -11.212 2.250 -1.188 865 HD13 LEU 107 3HD1 LEU 107 -11.172 2.743 -2.880 866 HD21 LEU 107 1HD2 LEU 107 -8.137 4.893 -2.395 867 HD22 LEU 107 2HD2 LEU 107 -9.830 5.161 -2.811 868 HD23 LEU 107 3HD2 LEU 107 -8.879 3.974 -3.705 869 H GLU 108 H GLU 108 -10.705 6.642 -1.586 870 HA GLU 108 HA GLU 108 -13.180 6.352 -0.018 871 HB2 GLU 108 1HB GLU 108 -12.026 8.586 -1.606 872 HB3 GLU 108 2HB GLU 108 -13.775 8.405 -1.623 873 HG2 GLU 108 1HG GLU 108 -11.994 8.878 0.748 874 HG3 GLU 108 2HG GLU 108 -13.244 9.937 0.098 875 H VAL 109 H VAL 109 -15.189 6.174 -1.198 876 HA VAL 109 HA VAL 109 -14.906 5.127 -3.931 877 HB VAL 109 HB VAL 109 -16.671 3.846 -1.844 878 HG11 VAL 109 1HG1 VAL 109 -17.030 3.768 -4.477 879 HG12 VAL 109 2HG1 VAL 109 -15.831 2.480 -4.338 880 HG13 VAL 109 3HG1 VAL 109 -17.347 2.376 -3.442 881 HG21 VAL 109 1HG2 VAL 109 -15.079 2.255 -1.398 882 HG22 VAL 109 2HG2 VAL 109 -14.243 2.502 -2.931 883 HG23 VAL 109 3HG2 VAL 109 -14.057 3.674 -1.627 884 H HIS 110 H HIS 110 -16.202 6.166 -5.283 885 HA HIS 110 HA HIS 110 -18.539 7.577 -4.201 886 HB2 HIS 110 1HB HIS 110 -16.948 7.976 -6.738 887 HB3 HIS 110 2HB HIS 110 -18.454 8.824 -6.396 888 HD1 HIS 110 1HD HIS 110 -17.010 11.042 -6.514 889 HD2 HIS 110 2HD HIS 110 -16.108 8.488 -3.363 890 HE1 HIS 110 1HE HIS 110 -15.660 12.417 -4.898 891 HE2 HIS 110 2HE HIS 110 -15.054 10.828 -3.041 892 H GLU 111 H GLU 111 -20.572 7.371 -5.134 893 HA GLU 111 HA GLU 111 -21.199 4.813 -6.182 894 HB2 GLU 111 1HB GLU 111 -22.858 7.330 -5.982 895 HB3 GLU 111 2HB GLU 111 -23.495 5.762 -6.455 896 HG2 GLU 111 1HG GLU 111 -22.541 4.937 -4.214 897 HG3 GLU 111 2HG GLU 111 -22.464 6.647 -3.792 898 H SER 112 H SER 112 -21.105 4.110 -8.203 899 HA SER 112 HA SER 112 -20.307 5.771 -10.352 900 HB2 SER 112 1HB SER 112 -19.687 3.441 -10.369 901 HB3 SER 112 2HB SER 112 -21.377 2.941 -10.304 902 HG SER 112 HG SER 112 -21.656 3.838 -12.373 903 H THR 113 H THR 113 -23.356 3.996 -9.821 904 HA THR 113 HA THR 113 -24.796 4.936 -11.967 905 HB THR 113 HB THR 113 -26.846 4.630 -10.527 906 HG1 THR 113 1HG THR 113 -26.011 5.120 -8.499 907 HG21 THR 113 1HG2 THR 113 -26.665 2.258 -10.465 908 HG22 THR 113 2HG2 THR 113 -24.908 2.330 -10.326 909 HG23 THR 113 3HG2 THR 113 -25.695 2.802 -11.833 910 H GLY 114 H GLY 114 -25.326 6.912 -12.612 911 HA2 GLY 114 1HA GLY 114 -24.957 9.207 -10.967 912 HA3 GLY 114 2HA GLY 114 -25.667 9.187 -12.574 913 H THR 115 H THR 115 -26.258 9.372 -9.213 914 HA THR 115 HA THR 115 -29.124 9.700 -9.752 915 HB THR 115 HB THR 115 -29.603 8.588 -7.533 916 HG1 THR 115 1HG THR 115 -27.765 6.941 -7.161 917 HG21 THR 115 1HG2 THR 115 -30.232 7.329 -9.393 918 HG22 THR 115 2HG2 THR 115 -29.175 6.230 -8.506 919 HG23 THR 115 3HG2 THR 115 -28.565 7.094 -9.917 920 H THR 116 H THR 116 -30.247 10.759 -7.858 921 HA THR 116 HA THR 116 -28.844 13.146 -7.177 922 HB THR 116 HB THR 116 -30.894 13.679 -5.832 923 HG1 THR 116 1HG THR 116 -31.829 11.202 -6.894 924 HG21 THR 116 1HG2 THR 116 -30.883 14.463 -8.063 925 HG22 THR 116 2HG2 THR 116 -32.444 13.670 -7.851 926 HG23 THR 116 3HG2 THR 116 -31.146 12.845 -8.714 927 HA PRO 117 HA PRO 117 -26.988 11.922 -3.373 928 HB2 PRO 117 1HB PRO 117 -26.688 14.374 -2.248 929 HB3 PRO 117 2HB PRO 117 -25.682 13.800 -3.583 930 HG2 PRO 117 1HG PRO 117 -28.066 15.610 -3.650 931 HG3 PRO 117 2HG PRO 117 -26.529 15.751 -4.524 932 HD2 PRO 117 1HD PRO 117 -28.781 14.793 -5.683 933 HD3 PRO 117 2HD PRO 117 -27.160 14.227 -6.134 934 H ASN 118 H ASN 118 -27.215 12.670 -0.926 935 HA ASN 118 HA ASN 118 -30.013 13.140 -0.229 936 HB2 ASN 118 1HB ASN 118 -28.443 10.663 0.425 937 HB3 ASN 118 2HB ASN 118 -29.724 11.216 1.499 938 HD21 ASN 118 1HD2 ASN 118 -29.287 8.909 -0.487 939 HD22 ASN 118 2HD2 ASN 118 -30.773 8.863 -1.367 940 H ILE 119 H ILE 119 -30.276 13.461 2.159 941 HA ILE 119 HA ILE 119 -28.011 15.028 3.151 942 HB ILE 119 HB ILE 119 -30.874 14.946 4.112 943 HG12 ILE 119 1HG1 ILE 119 -29.530 17.258 2.741 944 HG13 ILE 119 2HG1 ILE 119 -30.266 15.965 1.800 945 HG21 ILE 119 1HG2 ILE 119 -29.295 17.252 4.874 946 HG22 ILE 119 2HG2 ILE 119 -30.290 16.188 5.865 947 HG23 ILE 119 3HG2 ILE 119 -28.621 15.749 5.503 948 HD11 ILE 119 1HD1 ILE 119 -32.387 16.408 3.083 949 HD12 ILE 119 2HD1 ILE 119 -31.602 17.862 3.701 950 HD13 ILE 119 3HD1 ILE 119 -31.873 17.674 1.969 951 H ASP 120 H ASP 120 -26.673 14.094 4.535 952 HA ASP 120 HA ASP 120 -27.573 11.815 6.121 953 HB2 ASP 120 1HB ASP 120 -24.864 12.957 5.470 954 HB3 ASP 120 2HB ASP 120 -25.073 11.751 6.737 955 H SER 121 H SER 121 -28.391 12.189 8.063 956 HA SER 121 HA SER 121 -27.898 14.656 9.463 957 HB2 SER 121 1HB SER 121 -29.476 13.798 11.119 958 HB3 SER 121 2HB SER 121 -30.120 13.564 9.494 959 HG SER 121 HG SER 121 -28.686 11.550 10.872 960 H GLY 122 H GLY 122 -26.765 14.961 11.352 961 HA2 GLY 122 1HA GLY 122 -24.823 12.853 11.979 962 HA3 GLY 122 2HA GLY 122 -24.666 14.554 12.392 963 HA PRO 123 HA PRO 123 -26.563 11.851 15.879 964 HB2 PRO 123 1HB PRO 123 -24.323 11.221 17.277 965 HB3 PRO 123 2HB PRO 123 -24.987 10.184 16.009 966 HG2 PRO 123 1HG PRO 123 -22.721 12.134 15.866 967 HG3 PRO 123 2HG PRO 123 -22.835 10.501 15.187 968 HD2 PRO 123 1HD PRO 123 -23.208 12.728 13.694 969 HD3 PRO 123 2HD PRO 123 -24.062 11.207 13.368 970 H SER 124 H SER 124 -26.284 12.327 18.277 971 HA SER 124 HA SER 124 -25.231 15.037 18.717 972 HB2 SER 124 1HB SER 124 -27.835 14.767 18.404 973 HB3 SER 124 2HB SER 124 -27.766 14.203 20.074 974 HG SER 124 HG SER 124 -27.750 16.240 20.563 975 H SER 125 H SER 125 -25.510 15.483 21.255 976 HA SER 125 HA SER 125 -24.350 15.066 23.197 977 HB2 SER 125 1HB SER 125 -26.711 13.878 23.263 978 HB3 SER 125 2HB SER 125 -25.728 12.414 23.309 979 HG SER 125 HG SER 125 -24.746 13.169 25.178 980 H GLY 126 H GLY 126 -22.710 14.437 21.093 981 HA2 GLY 126 1HA GLY 126 -21.677 11.778 21.256 982 HA3 GLY 126 2HA GLY 126 -20.919 13.140 20.446 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 18.156 14.806 22.125 2 HA2 GLY 1 1HA GLY 1 17.256 17.365 20.951 3 HA3 GLY 1 2HA GLY 1 18.624 16.453 20.331 4 H SER 2 H SER 2 17.957 15.944 18.319 5 HA SER 2 HA SER 2 15.364 14.573 18.053 6 HB2 SER 2 1HB SER 2 16.968 15.943 15.881 7 HB3 SER 2 2HB SER 2 15.349 15.262 15.723 8 HG SER 2 HG SER 2 14.927 16.841 17.583 9 H SER 3 H SER 3 15.311 12.924 16.265 10 HA SER 3 HA SER 3 17.781 11.322 16.353 11 HB2 SER 3 1HB SER 3 14.919 10.397 16.001 12 HB3 SER 3 2HB SER 3 16.337 9.349 16.030 13 HG SER 3 HG SER 3 16.636 9.800 18.156 14 H GLY 4 H GLY 4 17.809 9.681 14.430 15 HA2 GLY 4 1HA GLY 4 16.726 9.873 12.004 16 HA3 GLY 4 2HA GLY 4 17.735 11.312 12.018 17 H SER 5 H SER 5 17.653 8.295 10.895 18 HA SER 5 HA SER 5 20.546 7.859 11.245 19 HB2 SER 5 1HB SER 5 18.347 5.873 10.627 20 HB3 SER 5 2HB SER 5 20.066 5.481 10.636 21 HG SER 5 HG SER 5 19.150 4.978 12.635 22 H SER 6 H SER 6 21.424 6.494 9.298 23 HA SER 6 HA SER 6 20.944 8.111 6.937 24 HB2 SER 6 1HB SER 6 22.926 7.000 6.023 25 HB3 SER 6 2HB SER 6 23.257 7.613 7.643 26 HG SER 6 HG SER 6 22.424 5.248 8.107 27 H GLY 7 H GLY 7 20.140 7.399 5.001 28 HA2 GLY 7 1HA GLY 7 19.490 5.699 3.455 29 HA3 GLY 7 2HA GLY 7 19.339 4.579 4.800 30 H ILE 8 H ILE 8 17.400 5.097 2.733 31 HA ILE 8 HA ILE 8 15.162 5.876 4.457 32 HB ILE 8 HB ILE 8 15.531 6.880 1.632 33 HG12 ILE 8 1HG1 ILE 8 15.269 8.561 4.113 34 HG13 ILE 8 2HG1 ILE 8 16.838 7.963 3.583 35 HG21 ILE 8 1HG2 ILE 8 13.428 8.007 1.896 36 HG22 ILE 8 2HG2 ILE 8 13.195 6.292 2.233 37 HG23 ILE 8 3HG2 ILE 8 13.288 7.447 3.562 38 HD11 ILE 8 1HD1 ILE 8 16.401 10.246 2.826 39 HD12 ILE 8 2HD1 ILE 8 16.593 9.127 1.476 40 HD13 ILE 8 3HD1 ILE 8 14.984 9.676 1.945 41 H LEU 9 H LEU 9 13.682 4.327 4.470 42 HA LEU 9 HA LEU 9 13.673 2.349 2.314 43 HB2 LEU 9 1HB LEU 9 12.732 2.381 5.144 44 HB3 LEU 9 2HB LEU 9 12.002 1.248 4.009 45 HG LEU 9 HG LEU 9 13.748 0.156 5.274 46 HD11 LEU 9 1HD1 LEU 9 13.388 -0.393 2.859 47 HD12 LEU 9 2HD1 LEU 9 14.991 -0.789 3.479 48 HD13 LEU 9 3HD1 LEU 9 14.762 0.648 2.483 49 HD21 LEU 9 1HD2 LEU 9 15.487 2.389 4.247 50 HD22 LEU 9 2HD2 LEU 9 16.125 0.896 4.936 51 HD23 LEU 9 3HD2 LEU 9 15.137 1.972 5.924 52 H PHE 10 H PHE 10 11.753 1.711 1.266 53 HA PHE 10 HA PHE 10 9.734 2.003 0.259 54 HB2 PHE 10 1HB PHE 10 9.157 2.308 2.860 55 HB3 PHE 10 2HB PHE 10 8.752 3.927 2.300 56 HD1 PHE 10 2HD PHE 10 8.328 0.619 0.648 57 HD2 PHE 10 1HD PHE 10 6.449 4.062 2.300 58 HE1 PHE 10 2HE PHE 10 6.144 -0.203 -0.132 59 HE2 PHE 10 1HE PHE 10 4.261 3.245 1.523 60 HZ PHE 10 HZ PHE 10 4.107 1.110 0.304 61 H ILE 11 H ILE 11 11.610 3.430 -0.883 62 HA ILE 11 HA ILE 11 11.838 6.062 -1.034 63 HB ILE 11 HB ILE 11 11.331 4.204 -3.348 64 HG12 ILE 11 1HG1 ILE 11 13.385 3.779 -2.145 65 HG13 ILE 11 2HG1 ILE 11 13.780 4.534 -3.686 66 HG21 ILE 11 1HG2 ILE 11 12.355 6.066 -4.735 67 HG22 ILE 11 2HG2 ILE 11 10.686 6.294 -4.218 68 HG23 ILE 11 3HG2 ILE 11 11.990 7.135 -3.381 69 HD11 ILE 11 1HD1 ILE 11 15.147 5.697 -2.285 70 HD12 ILE 11 2HD1 ILE 11 13.718 6.729 -2.246 71 HD13 ILE 11 3HD1 ILE 11 14.027 5.601 -0.927 72 H GLU 12 H GLU 12 9.223 4.538 -2.926 73 HA GLU 12 HA GLU 12 7.720 7.045 -2.745 74 HB2 GLU 12 1HB GLU 12 8.226 5.632 -4.931 75 HB3 GLU 12 2HB GLU 12 6.797 4.751 -4.412 76 HG2 GLU 12 1HG GLU 12 5.941 6.343 -5.848 77 HG3 GLU 12 2HG GLU 12 5.684 7.061 -4.260 78 H LYS 13 H LYS 13 5.425 6.984 -2.307 79 HA LYS 13 HA LYS 13 4.604 4.682 -0.662 80 HB2 LYS 13 1HB LYS 13 4.000 7.585 -0.072 81 HB3 LYS 13 2HB LYS 13 3.513 6.200 0.897 82 HG2 LYS 13 1HG LYS 13 5.717 5.782 1.599 83 HG3 LYS 13 2HG LYS 13 6.396 6.842 0.361 84 HD2 LYS 13 1HD LYS 13 4.902 8.640 1.614 85 HD3 LYS 13 2HD LYS 13 5.118 7.518 2.960 86 HE2 LYS 13 1HE LYS 13 6.880 9.075 3.134 87 HE3 LYS 13 2HE LYS 13 7.599 7.614 2.458 88 HZ1 LYS 13 1HZ LYS 13 7.707 10.164 1.410 89 HZ2 LYS 13 2HZ LYS 13 6.661 9.309 0.392 90 HZ3 LYS 13 3HZ LYS 13 8.228 8.734 0.670 91 HA PRO 14 HA PRO 14 1.010 4.583 -3.203 92 HB2 PRO 14 1HB PRO 14 -0.657 3.241 -1.533 93 HB3 PRO 14 2HB PRO 14 0.678 2.460 -2.390 94 HG2 PRO 14 1HG PRO 14 0.550 3.424 0.442 95 HG3 PRO 14 2HG PRO 14 1.230 1.916 -0.198 96 HD2 PRO 14 1HD PRO 14 2.770 4.044 0.459 97 HD3 PRO 14 2HD PRO 14 3.190 2.932 -0.860 98 H GLN 15 H GLN 15 0.374 6.738 -3.339 99 HA GLN 15 HA GLN 15 -0.925 8.097 -1.188 100 HB2 GLN 15 1HB GLN 15 -0.541 8.701 -4.110 101 HB3 GLN 15 2HB GLN 15 -1.536 9.729 -3.086 102 HG2 GLN 15 1HG GLN 15 1.388 9.122 -2.720 103 HG3 GLN 15 2HG GLN 15 0.684 10.642 -3.271 104 HE21 GLN 15 1HE2 GLN 15 2.238 9.518 -0.801 105 HE22 GLN 15 2HE2 GLN 15 1.433 10.287 0.521 106 H GLY 16 H GLY 16 -2.852 7.438 -0.477 107 HA2 GLY 16 1HA GLY 16 -4.716 5.870 -1.735 108 HA3 GLY 16 2HA GLY 16 -5.119 7.043 -0.491 109 H GLY 17 H GLY 17 -6.989 6.519 -2.360 110 HA2 GLY 17 1HA GLY 17 -7.306 9.104 -3.601 111 HA3 GLY 17 2HA GLY 17 -7.089 7.795 -4.753 112 H THR 18 H THR 18 -9.244 8.453 -5.480 113 HA THR 18 HA THR 18 -11.324 7.107 -3.892 114 HB THR 18 HB THR 18 -11.874 9.598 -5.499 115 HG1 THR 18 1HG THR 18 -10.517 10.231 -3.824 116 HG21 THR 18 1HG2 THR 18 -13.899 8.525 -5.162 117 HG22 THR 18 2HG2 THR 18 -13.818 9.588 -3.758 118 HG23 THR 18 3HG2 THR 18 -13.413 7.880 -3.595 119 H VAL 19 H VAL 19 -11.981 5.401 -5.015 120 HA VAL 19 HA VAL 19 -12.085 5.590 -7.952 121 HB VAL 19 HB VAL 19 -10.605 3.823 -7.095 122 HG11 VAL 19 1HG1 VAL 19 -11.564 1.876 -5.942 123 HG12 VAL 19 2HG1 VAL 19 -11.727 3.354 -4.992 124 HG13 VAL 19 3HG1 VAL 19 -13.119 2.704 -5.859 125 HG21 VAL 19 1HG2 VAL 19 -12.551 2.014 -8.145 126 HG22 VAL 19 2HG2 VAL 19 -12.671 3.553 -8.998 127 HG23 VAL 19 3HG2 VAL 19 -11.131 2.697 -8.937 128 H LYS 20 H LYS 20 -13.944 5.142 -9.042 129 HA LYS 20 HA LYS 20 -16.402 5.325 -7.596 130 HB2 LYS 20 1HB LYS 20 -15.840 6.213 -9.961 131 HB3 LYS 20 2HB LYS 20 -16.188 4.576 -10.500 132 HG2 LYS 20 1HG LYS 20 -18.159 5.861 -10.795 133 HG3 LYS 20 2HG LYS 20 -18.433 4.787 -9.422 134 HD2 LYS 20 1HD LYS 20 -19.274 6.900 -8.775 135 HD3 LYS 20 2HD LYS 20 -17.729 6.717 -7.942 136 HE2 LYS 20 1HE LYS 20 -17.549 8.862 -8.751 137 HE3 LYS 20 2HE LYS 20 -16.784 7.944 -10.047 138 HZ1 LYS 20 1HZ LYS 20 -18.247 8.830 -11.431 139 HZ2 LYS 20 2HZ LYS 20 -19.061 9.604 -10.166 140 HZ3 LYS 20 3HZ LYS 20 -19.498 8.033 -10.616 141 H VAL 21 H VAL 21 -18.083 3.799 -7.488 142 HA VAL 21 HA VAL 21 -17.327 1.173 -6.906 143 HB VAL 21 HB VAL 21 -20.069 2.237 -7.596 144 HG11 VAL 21 1HG1 VAL 21 -20.996 0.243 -7.085 145 HG12 VAL 21 2HG1 VAL 21 -19.420 -0.375 -7.584 146 HG13 VAL 21 3HG1 VAL 21 -19.774 -0.137 -5.872 147 HG21 VAL 21 1HG2 VAL 21 -18.597 1.903 -4.991 148 HG22 VAL 21 2HG2 VAL 21 -19.231 3.390 -5.696 149 HG23 VAL 21 3HG2 VAL 21 -20.339 2.159 -5.093 150 H GLY 22 H GLY 22 -16.737 -0.418 -8.217 151 HA2 GLY 22 1HA GLY 22 -17.233 -1.979 -9.952 152 HA3 GLY 22 2HA GLY 22 -18.114 -0.713 -10.795 153 H GLU 23 H GLU 23 -15.686 1.067 -10.046 154 HA GLU 23 HA GLU 23 -14.323 0.659 -12.546 155 HB2 GLU 23 1HB GLU 23 -14.333 2.722 -10.415 156 HB3 GLU 23 2HB GLU 23 -12.860 2.580 -11.364 157 HG2 GLU 23 1HG GLU 23 -14.210 4.239 -12.382 158 HG3 GLU 23 2HG GLU 23 -14.250 2.815 -13.420 159 H ASP 24 H ASP 24 -11.762 1.136 -12.273 160 HA ASP 24 HA ASP 24 -10.734 -0.832 -10.338 161 HB2 ASP 24 1HB ASP 24 -9.406 -1.888 -11.934 162 HB3 ASP 24 2HB ASP 24 -10.892 -1.573 -12.826 163 H ILE 25 H ILE 25 -9.064 -0.162 -9.144 164 HA ILE 25 HA ILE 25 -7.537 2.182 -10.057 165 HB ILE 25 HB ILE 25 -9.058 3.009 -8.388 166 HG12 ILE 25 1HG1 ILE 25 -6.477 2.643 -6.890 167 HG13 ILE 25 2HG1 ILE 25 -6.535 3.604 -8.364 168 HG21 ILE 25 1HG2 ILE 25 -7.977 1.049 -6.390 169 HG22 ILE 25 2HG2 ILE 25 -9.413 2.065 -6.275 170 HG23 ILE 25 3HG2 ILE 25 -9.393 0.687 -7.376 171 HD11 ILE 25 1HD1 ILE 25 -7.238 5.343 -7.204 172 HD12 ILE 25 2HD1 ILE 25 -8.656 4.437 -6.675 173 HD13 ILE 25 3HD1 ILE 25 -7.170 4.382 -5.727 174 H THR 26 H THR 26 -5.386 2.334 -9.272 175 HA THR 26 HA THR 26 -4.315 -0.062 -7.960 176 HB THR 26 HB THR 26 -2.948 1.161 -10.355 177 HG1 THR 26 1HG THR 26 -4.891 0.224 -11.064 178 HG21 THR 26 1HG2 THR 26 -1.791 -0.297 -8.500 179 HG22 THR 26 2HG2 THR 26 -1.431 -0.567 -10.205 180 HG23 THR 26 3HG2 THR 26 -2.561 -1.627 -9.363 181 H PHE 27 H PHE 27 -2.591 0.293 -6.620 182 HA PHE 27 HA PHE 27 -1.797 3.106 -6.270 183 HB2 PHE 27 1HB PHE 27 -1.719 0.862 -4.241 184 HB3 PHE 27 2HB PHE 27 -1.315 2.549 -3.940 185 HD1 PHE 27 2HD PHE 27 -3.045 4.235 -3.776 186 HD2 PHE 27 1HD PHE 27 -4.011 0.150 -4.478 187 HE1 PHE 27 2HE PHE 27 -5.391 4.694 -3.197 188 HE2 PHE 27 1HE PHE 27 -6.359 0.602 -3.901 189 HZ PHE 27 HZ PHE 27 -7.052 2.877 -3.258 190 H ILE 28 H ILE 28 0.345 3.659 -6.131 191 HA ILE 28 HA ILE 28 2.238 1.591 -6.995 192 HB ILE 28 HB ILE 28 2.390 4.601 -7.127 193 HG12 ILE 28 1HG1 ILE 28 0.975 3.506 -8.826 194 HG13 ILE 28 2HG1 ILE 28 2.405 4.240 -9.544 195 HG21 ILE 28 1HG2 ILE 28 4.478 2.520 -7.710 196 HG22 ILE 28 2HG2 ILE 28 4.532 4.140 -8.404 197 HG23 ILE 28 3HG2 ILE 28 4.598 3.928 -6.655 198 HD11 ILE 28 1HD1 ILE 28 1.761 1.352 -9.153 199 HD12 ILE 28 2HD1 ILE 28 2.263 2.202 -10.615 200 HD13 ILE 28 3HD1 ILE 28 3.432 1.885 -9.334 201 H ALA 29 H ALA 29 3.972 1.016 -5.802 202 HA ALA 29 HA ALA 29 4.751 2.615 -3.494 203 HB1 ALA 29 1HB ALA 29 4.242 -0.305 -3.060 204 HB2 ALA 29 2HB ALA 29 4.408 0.987 -1.870 205 HB3 ALA 29 3HB ALA 29 2.952 0.882 -2.860 206 H LYS 30 H LYS 30 6.860 2.884 -3.774 207 HA LYS 30 HA LYS 30 8.444 0.659 -4.869 208 HB2 LYS 30 1HB LYS 30 8.645 3.620 -5.079 209 HB3 LYS 30 2HB LYS 30 10.149 2.708 -5.060 210 HG2 LYS 30 1HG LYS 30 9.761 1.755 -7.090 211 HG3 LYS 30 2HG LYS 30 8.007 1.807 -6.905 212 HD2 LYS 30 1HD LYS 30 9.562 4.349 -7.163 213 HD3 LYS 30 2HD LYS 30 9.177 3.400 -8.601 214 HE2 LYS 30 1HE LYS 30 6.765 3.436 -7.757 215 HE3 LYS 30 2HE LYS 30 7.296 4.705 -6.654 216 HZ1 LYS 30 1HZ LYS 30 6.599 5.934 -8.428 217 HZ2 LYS 30 2HZ LYS 30 7.037 4.770 -9.574 218 HZ3 LYS 30 3HZ LYS 30 8.225 5.733 -8.851 219 H VAL 31 H VAL 31 10.465 0.146 -3.928 220 HA VAL 31 HA VAL 31 10.984 1.264 -1.266 221 HB VAL 31 HB VAL 31 11.068 -1.706 -1.780 222 HG11 VAL 31 1HG1 VAL 31 11.807 -1.928 0.327 223 HG12 VAL 31 2HG1 VAL 31 12.269 -0.232 0.169 224 HG13 VAL 31 3HG1 VAL 31 10.742 -0.664 0.940 225 HG21 VAL 31 1HG2 VAL 31 8.792 0.017 -1.204 226 HG22 VAL 31 2HG2 VAL 31 8.833 -1.666 -1.727 227 HG23 VAL 31 3HG2 VAL 31 9.000 -1.270 -0.017 228 H LYS 32 H LYS 32 13.102 1.497 -0.772 229 HA LYS 32 HA LYS 32 15.019 1.166 -2.877 230 HB2 LYS 32 1HB LYS 32 14.899 3.025 -1.079 231 HB3 LYS 32 2HB LYS 32 15.708 1.864 -0.036 232 HG2 LYS 32 1HG LYS 32 17.435 3.153 -0.911 233 HG3 LYS 32 2HG LYS 32 17.457 1.684 -1.889 234 HD2 LYS 32 1HD LYS 32 15.807 3.123 -3.394 235 HD3 LYS 32 2HD LYS 32 16.674 4.455 -2.625 236 HE2 LYS 32 1HE LYS 32 18.208 2.183 -3.810 237 HE3 LYS 32 2HE LYS 32 17.542 3.426 -4.868 238 HZ1 LYS 32 1HZ LYS 32 18.874 4.573 -2.631 239 HZ2 LYS 32 2HZ LYS 32 19.142 4.825 -4.282 240 HZ3 LYS 32 3HZ LYS 32 19.910 3.545 -3.486 241 H ALA 33 H ALA 33 16.336 -0.497 -3.231 242 HA ALA 33 HA ALA 33 16.759 -2.438 -1.053 243 HB1 ALA 33 1HB ALA 33 15.783 -2.850 -3.790 244 HB2 ALA 33 2HB ALA 33 17.050 -3.965 -3.277 245 HB3 ALA 33 3HB ALA 33 15.560 -3.833 -2.342 246 H GLU 34 H GLU 34 18.730 -3.790 -1.367 247 HA GLU 34 HA GLU 34 20.851 -2.330 -2.792 248 HB2 GLU 34 1HB GLU 34 21.102 -3.581 -0.051 249 HB3 GLU 34 2HB GLU 34 22.384 -2.771 -0.939 250 HG2 GLU 34 1HG GLU 34 21.134 -0.674 -0.830 251 HG3 GLU 34 2HG GLU 34 19.856 -1.487 0.070 252 H ASP 35 H ASP 35 19.907 -5.397 -1.281 253 HA ASP 35 HA ASP 35 21.838 -6.820 -2.955 254 HB2 ASP 35 1HB ASP 35 20.189 -7.625 -0.565 255 HB3 ASP 35 2HB ASP 35 21.026 -8.815 -1.559 256 H LEU 36 H LEU 36 21.246 -7.776 -4.781 257 HA LEU 36 HA LEU 36 18.659 -7.641 -5.831 258 HB2 LEU 36 1HB LEU 36 20.723 -9.664 -6.654 259 HB3 LEU 36 2HB LEU 36 19.456 -8.940 -7.642 260 HG LEU 36 HG LEU 36 21.947 -7.582 -6.618 261 HD11 LEU 36 1HD1 LEU 36 22.666 -7.537 -8.865 262 HD12 LEU 36 2HD1 LEU 36 21.096 -8.074 -9.459 263 HD13 LEU 36 3HD1 LEU 36 22.126 -9.188 -8.560 264 HD21 LEU 36 1HD2 LEU 36 19.781 -6.427 -8.366 265 HD22 LEU 36 2HD2 LEU 36 21.210 -5.603 -7.742 266 HD23 LEU 36 3HD2 LEU 36 19.932 -6.111 -6.637 267 H LEU 37 H LEU 37 20.373 -10.334 -4.285 268 HA LEU 37 HA LEU 37 18.393 -12.284 -4.639 269 HB2 LEU 37 1HB LEU 37 20.256 -12.085 -2.285 270 HB3 LEU 37 2HB LEU 37 19.514 -13.540 -2.948 271 HG LEU 37 HG LEU 37 21.354 -11.963 -4.682 272 HD11 LEU 37 1HD1 LEU 37 23.108 -13.672 -3.644 273 HD12 LEU 37 2HD1 LEU 37 22.116 -13.405 -2.211 274 HD13 LEU 37 3HD1 LEU 37 22.889 -12.039 -3.014 275 HD21 LEU 37 1HD2 LEU 37 19.964 -14.080 -5.270 276 HD22 LEU 37 2HD2 LEU 37 21.227 -14.934 -4.384 277 HD23 LEU 37 3HD2 LEU 37 21.643 -13.964 -5.797 278 H ARG 38 H ARG 38 19.057 -10.250 -1.786 279 HA ARG 38 HA ARG 38 16.908 -11.092 -0.231 280 HB2 ARG 38 1HB ARG 38 18.298 -8.411 -0.327 281 HB3 ARG 38 2HB ARG 38 17.145 -8.874 0.918 282 HG2 ARG 38 1HG ARG 38 19.798 -10.177 0.346 283 HG3 ARG 38 2HG ARG 38 19.386 -9.170 1.735 284 HD2 ARG 38 1HD ARG 38 19.129 -11.249 2.654 285 HD3 ARG 38 2HD ARG 38 17.494 -10.968 2.057 286 HE ARG 38 HE ARG 38 17.780 -12.713 0.618 287 HH11 ARG 38 2HH1 ARG 38 20.912 -11.593 1.646 288 HH12 ARG 38 1HH1 ARG 38 21.774 -12.866 0.847 289 HH21 ARG 38 2HH2 ARG 38 18.904 -14.395 -0.437 290 HH22 ARG 38 1HH2 ARG 38 20.631 -14.459 -0.338 291 H LYS 39 H LYS 39 14.785 -10.861 -0.425 292 HA LYS 39 HA LYS 39 13.746 -8.616 -2.021 293 HB2 LYS 39 1HB LYS 39 13.593 -10.684 -3.328 294 HB3 LYS 39 2HB LYS 39 12.721 -11.461 -2.013 295 HG2 LYS 39 1HG LYS 39 10.968 -9.655 -2.292 296 HG3 LYS 39 2HG LYS 39 11.792 -9.230 -3.795 297 HD2 LYS 39 1HD LYS 39 10.982 -12.063 -3.271 298 HD3 LYS 39 2HD LYS 39 9.793 -10.894 -3.850 299 HE2 LYS 39 1HE LYS 39 11.532 -10.353 -5.670 300 HE3 LYS 39 2HE LYS 39 12.287 -11.874 -5.198 301 HZ1 LYS 39 1HZ LYS 39 10.253 -11.577 -6.988 302 HZ2 LYS 39 2HZ LYS 39 9.469 -12.138 -5.599 303 HZ3 LYS 39 3HZ LYS 39 10.739 -13.030 -6.270 304 HA PRO 40 HA PRO 40 11.581 -7.903 1.813 305 HB2 PRO 40 1HB PRO 40 10.287 -5.668 0.978 306 HB3 PRO 40 2HB PRO 40 11.989 -5.671 1.453 307 HG2 PRO 40 1HG PRO 40 10.787 -5.759 -1.287 308 HG3 PRO 40 2HG PRO 40 12.171 -4.818 -0.703 309 HD2 PRO 40 1HD PRO 40 12.461 -7.112 -2.111 310 HD3 PRO 40 2HD PRO 40 13.616 -6.607 -0.861 311 H THR 41 H THR 41 9.256 -7.457 2.406 312 HA THR 41 HA THR 41 7.398 -8.681 0.477 313 HB THR 41 HB THR 41 7.284 -9.209 3.446 314 HG1 THR 41 1HG THR 41 8.942 -10.474 3.049 315 HG21 THR 41 1HG2 THR 41 5.420 -10.375 3.019 316 HG22 THR 41 2HG2 THR 41 6.135 -11.155 1.608 317 HG23 THR 41 3HG2 THR 41 5.401 -9.559 1.456 318 H ILE 42 H ILE 42 5.531 -7.621 0.198 319 HA ILE 42 HA ILE 42 4.906 -5.435 2.073 320 HB ILE 42 HB ILE 42 5.500 -4.652 -0.185 321 HG12 ILE 42 1HG1 ILE 42 2.555 -4.192 0.022 322 HG13 ILE 42 2HG1 ILE 42 3.578 -3.694 1.365 323 HG21 ILE 42 1HG2 ILE 42 2.990 -5.817 -1.289 324 HG22 ILE 42 2HG2 ILE 42 4.464 -5.324 -2.119 325 HG23 ILE 42 3HG2 ILE 42 4.433 -6.825 -1.195 326 HD11 ILE 42 1HD1 ILE 42 4.808 -2.760 -0.987 327 HD12 ILE 42 2HD1 ILE 42 3.091 -2.373 -1.105 328 HD13 ILE 42 3HD1 ILE 42 4.025 -1.823 0.286 329 H LYS 43 H LYS 43 3.098 -5.629 3.205 330 HA LYS 43 HA LYS 43 0.979 -7.403 2.179 331 HB2 LYS 43 1HB LYS 43 2.289 -8.157 4.254 332 HB3 LYS 43 2HB LYS 43 1.464 -6.855 5.101 333 HG2 LYS 43 1HG LYS 43 0.046 -8.563 5.569 334 HG3 LYS 43 2HG LYS 43 -0.671 -8.008 4.054 335 HD2 LYS 43 1HD LYS 43 -0.536 -10.307 3.753 336 HD3 LYS 43 2HD LYS 43 0.921 -9.720 2.948 337 HE2 LYS 43 1HE LYS 43 2.185 -10.184 5.040 338 HE3 LYS 43 2HE LYS 43 0.724 -10.904 5.715 339 HZ1 LYS 43 1HZ LYS 43 2.002 -11.841 3.207 340 HZ2 LYS 43 2HZ LYS 43 0.762 -12.598 4.072 341 HZ3 LYS 43 3HZ LYS 43 2.320 -12.516 4.725 342 H TRP 44 H TRP 44 -0.795 -6.336 1.635 343 HA TRP 44 HA TRP 44 -1.257 -3.650 2.621 344 HB2 TRP 44 1HB TRP 44 -2.979 -5.269 0.736 345 HB3 TRP 44 2HB TRP 44 -3.007 -3.523 0.972 346 HD1 TRP 44 HD TRP 44 -0.778 -6.279 -0.546 347 HE1 TRP 44 1HE TRP 44 0.743 -5.198 -2.319 348 HE3 TRP 44 3HE TRP 44 -2.012 -1.375 0.207 349 HZ2 TRP 44 2HZ TRP 44 1.341 -2.609 -3.271 350 HZ3 TRP 44 3HZ TRP 44 -0.919 0.342 -1.176 351 HH2 TRP 44 HH TRP 44 0.722 -0.265 -2.879 352 H PHE 45 H PHE 45 -3.074 -2.969 3.770 353 HA PHE 45 HA PHE 45 -4.868 -5.020 4.826 354 HB2 PHE 45 1HB PHE 45 -3.058 -3.264 6.466 355 HB3 PHE 45 2HB PHE 45 -4.565 -3.887 7.131 356 HD1 PHE 45 1HD PHE 45 -4.881 -6.315 7.415 357 HD2 PHE 45 2HD PHE 45 -1.159 -4.659 6.180 358 HE1 PHE 45 1HE PHE 45 -3.753 -8.423 7.998 359 HE2 PHE 45 2HE PHE 45 -0.026 -6.765 6.759 360 HZ PHE 45 HZ PHE 45 -1.323 -8.650 7.669 361 H LYS 46 H LYS 46 -6.762 -4.099 5.920 362 HA LYS 46 HA LYS 46 -7.310 -1.290 5.370 363 HB2 LYS 46 1HB LYS 46 -8.003 -2.785 3.383 364 HB3 LYS 46 2HB LYS 46 -9.283 -3.363 4.442 365 HG2 LYS 46 1HG LYS 46 -8.969 -0.431 4.127 366 HG3 LYS 46 2HG LYS 46 -9.639 -1.345 2.774 367 HD2 LYS 46 1HD LYS 46 -11.377 -2.246 4.208 368 HD3 LYS 46 2HD LYS 46 -10.678 -1.428 5.607 369 HE2 LYS 46 1HE LYS 46 -11.166 0.727 4.650 370 HE3 LYS 46 2HE LYS 46 -11.715 -0.019 3.151 371 HZ1 LYS 46 1HZ LYS 46 -13.734 -0.180 4.004 372 HZ2 LYS 46 2HZ LYS 46 -13.212 0.556 5.435 373 HZ3 LYS 46 3HZ LYS 46 -13.158 -1.128 5.282 374 H GLY 47 H GLY 47 -8.905 -0.395 6.674 375 HA2 GLY 47 1HA GLY 47 -10.337 -0.220 8.465 376 HA3 GLY 47 2HA GLY 47 -10.656 -1.940 8.295 377 H LYS 48 H LYS 48 -10.443 -2.760 10.281 378 HA LYS 48 HA LYS 48 -8.124 -1.955 11.895 379 HB2 LYS 48 1HB LYS 48 -10.693 -2.014 12.655 380 HB3 LYS 48 2HB LYS 48 -10.260 -3.674 13.041 381 HG2 LYS 48 1HG LYS 48 -8.542 -1.424 13.990 382 HG3 LYS 48 2HG LYS 48 -10.033 -1.828 14.844 383 HD2 LYS 48 1HD LYS 48 -8.663 -3.226 15.979 384 HD3 LYS 48 2HD LYS 48 -8.965 -4.284 14.598 385 HE2 LYS 48 1HE LYS 48 -6.899 -2.904 13.623 386 HE3 LYS 48 2HE LYS 48 -6.532 -2.762 15.342 387 HZ1 LYS 48 1HZ LYS 48 -7.043 -5.343 15.217 388 HZ2 LYS 48 2HZ LYS 48 -5.501 -4.714 14.921 389 HZ3 LYS 48 3HZ LYS 48 -6.511 -5.120 13.626 390 H TRP 49 H TRP 49 -9.958 -4.865 10.970 391 HA TRP 49 HA TRP 49 -7.497 -6.431 11.389 392 HB2 TRP 49 1HB TRP 49 -10.295 -7.557 11.389 393 HB3 TRP 49 2HB TRP 49 -8.817 -8.321 11.967 394 HD1 TRP 49 HD TRP 49 -11.377 -5.635 12.963 395 HE1 TRP 49 1HE TRP 49 -11.189 -5.233 15.498 396 HE3 TRP 49 3HE TRP 49 -7.260 -8.506 13.937 397 HZ2 TRP 49 2HZ TRP 49 -9.517 -6.027 17.629 398 HZ3 TRP 49 3HZ TRP 49 -6.430 -8.631 16.250 399 HH2 TRP 49 HH TRP 49 -7.536 -7.416 18.056 400 H MET 50 H MET 50 -10.196 -5.771 9.250 401 HA MET 50 HA MET 50 -10.035 -7.713 7.356 402 HB2 MET 50 1HB MET 50 -11.416 -5.469 7.471 403 HB3 MET 50 2HB MET 50 -10.148 -4.883 6.403 404 HG2 MET 50 1HG MET 50 -10.658 -6.930 4.966 405 HG3 MET 50 2HG MET 50 -12.130 -7.075 5.924 406 HE1 MET 50 1HE MET 50 -10.187 -5.726 3.341 407 HE2 MET 50 2HE MET 50 -11.488 -5.286 2.234 408 HE3 MET 50 3HE MET 50 -10.619 -4.031 3.118 409 H ASP 51 H ASP 51 -8.461 -8.531 6.155 410 HA ASP 51 HA ASP 51 -6.124 -6.839 5.561 411 HB2 ASP 51 1HB ASP 51 -5.452 -8.660 6.963 412 HB3 ASP 51 2HB ASP 51 -6.333 -9.823 5.976 413 H LEU 52 H LEU 52 -6.140 -6.147 3.531 414 HA LEU 52 HA LEU 52 -7.727 -7.128 1.468 415 HB2 LEU 52 1HB LEU 52 -5.090 -5.727 1.098 416 HB3 LEU 52 2HB LEU 52 -6.465 -5.738 -0.005 417 HG LEU 52 HG LEU 52 -6.397 -4.400 2.699 418 HD11 LEU 52 1HD1 LEU 52 -5.029 -3.475 0.672 419 HD12 LEU 52 2HD1 LEU 52 -6.011 -2.391 1.658 420 HD13 LEU 52 3HD1 LEU 52 -6.615 -2.957 0.100 421 HD21 LEU 52 1HD2 LEU 52 -8.532 -4.932 0.725 422 HD22 LEU 52 2HD2 LEU 52 -8.491 -3.317 1.433 423 HD23 LEU 52 3HD2 LEU 52 -8.625 -4.735 2.476 424 H ALA 53 H ALA 53 -4.417 -7.936 2.373 425 HA ALA 53 HA ALA 53 -3.508 -9.346 0.227 426 HB1 ALA 53 1HB ALA 53 -2.550 -8.973 2.671 427 HB2 ALA 53 2HB ALA 53 -3.119 -10.630 2.874 428 HB3 ALA 53 3HB ALA 53 -1.945 -10.249 1.615 429 H SER 54 H SER 54 -5.653 -10.583 2.777 430 HA SER 54 HA SER 54 -5.899 -13.170 1.579 431 HB2 SER 54 1HB SER 54 -6.195 -12.983 3.963 432 HB3 SER 54 2HB SER 54 -7.480 -11.792 3.760 433 HG SER 54 HG SER 54 -8.429 -13.772 4.128 434 H LYS 55 H LYS 55 -7.586 -10.143 1.322 435 HA LYS 55 HA LYS 55 -9.973 -11.169 0.151 436 HB2 LYS 55 1HB LYS 55 -8.807 -8.389 -0.074 437 HB3 LYS 55 2HB LYS 55 -10.472 -8.851 -0.402 438 HG2 LYS 55 1HG LYS 55 -9.220 -9.247 2.294 439 HG3 LYS 55 2HG LYS 55 -9.982 -7.726 1.824 440 HD2 LYS 55 1HD LYS 55 -11.977 -9.284 1.151 441 HD3 LYS 55 2HD LYS 55 -11.211 -10.411 2.273 442 HE2 LYS 55 1HE LYS 55 -11.321 -8.736 4.042 443 HE3 LYS 55 2HE LYS 55 -12.047 -7.585 2.922 444 HZ1 LYS 55 1HZ LYS 55 -13.650 -9.773 2.735 445 HZ2 LYS 55 2HZ LYS 55 -13.982 -8.381 3.635 446 HZ3 LYS 55 3HZ LYS 55 -13.272 -9.721 4.383 447 H ALA 56 H ALA 56 -6.844 -10.245 -1.070 448 HA ALA 56 HA ALA 56 -7.417 -9.832 -3.760 449 HB1 ALA 56 1HB ALA 56 -4.968 -11.104 -3.785 450 HB2 ALA 56 2HB ALA 56 -5.243 -9.374 -3.582 451 HB3 ALA 56 3HB ALA 56 -5.059 -10.410 -2.166 452 H GLY 57 H GLY 57 -8.239 -11.113 -5.275 453 HA2 GLY 57 1HA GLY 57 -7.433 -13.764 -5.748 454 HA3 GLY 57 2HA GLY 57 -8.934 -13.797 -4.833 455 H LYS 58 H LYS 58 -10.438 -11.846 -5.833 456 HA LYS 58 HA LYS 58 -10.526 -12.308 -8.739 457 HB2 LYS 58 1HB LYS 58 -12.597 -12.832 -6.687 458 HB3 LYS 58 2HB LYS 58 -13.154 -12.066 -8.169 459 HG2 LYS 58 1HG LYS 58 -12.581 -13.885 -9.481 460 HG3 LYS 58 2HG LYS 58 -11.444 -14.515 -8.286 461 HD2 LYS 58 1HD LYS 58 -14.343 -14.322 -7.596 462 HD3 LYS 58 2HD LYS 58 -13.781 -15.647 -8.619 463 HE2 LYS 58 1HE LYS 58 -12.178 -16.302 -6.901 464 HE3 LYS 58 2HE LYS 58 -12.701 -14.958 -5.886 465 HZ1 LYS 58 1HZ LYS 58 -15.023 -16.171 -6.328 466 HZ2 LYS 58 2HZ LYS 58 -14.026 -16.531 -5.011 467 HZ3 LYS 58 3HZ LYS 58 -13.991 -17.510 -6.390 468 H HIS 59 H HIS 59 -12.494 -10.459 -6.417 469 HA HIS 59 HA HIS 59 -12.760 -8.229 -8.129 470 HB2 HIS 59 1HB HIS 59 -13.184 -8.494 -5.147 471 HB3 HIS 59 2HB HIS 59 -13.634 -7.073 -6.085 472 HD1 HIS 59 1HD HIS 59 -15.296 -7.804 -8.245 473 HD2 HIS 59 2HD HIS 59 -15.257 -10.186 -4.842 474 HE1 HIS 59 1HE HIS 59 -17.434 -9.126 -8.325 475 HE2 HIS 59 2HE HIS 59 -17.428 -10.497 -6.213 476 H LEU 60 H LEU 60 -10.201 -9.252 -6.156 477 HA LEU 60 HA LEU 60 -8.883 -6.649 -6.498 478 HB2 LEU 60 1HB LEU 60 -9.538 -6.719 -4.199 479 HB3 LEU 60 2HB LEU 60 -8.914 -8.358 -4.019 480 HG LEU 60 HG LEU 60 -6.644 -7.109 -4.694 481 HD11 LEU 60 1HD1 LEU 60 -6.606 -4.904 -4.395 482 HD12 LEU 60 2HD1 LEU 60 -7.518 -5.011 -2.890 483 HD13 LEU 60 3HD1 LEU 60 -8.369 -4.968 -4.434 484 HD21 LEU 60 1HD2 LEU 60 -7.666 -8.314 -2.468 485 HD22 LEU 60 2HD2 LEU 60 -7.284 -6.701 -1.867 486 HD23 LEU 60 3HD2 LEU 60 -6.026 -7.683 -2.619 487 H GLN 61 H GLN 61 -6.695 -6.719 -6.946 488 HA GLN 61 HA GLN 61 -5.324 -9.283 -6.961 489 HB2 GLN 61 1HB GLN 61 -5.737 -7.652 -9.473 490 HB3 GLN 61 2HB GLN 61 -4.641 -9.021 -9.333 491 HG2 GLN 61 1HG GLN 61 -7.532 -9.352 -8.671 492 HG3 GLN 61 2HG GLN 61 -7.001 -9.347 -10.352 493 HE21 GLN 61 1HE2 GLN 61 -6.611 -10.943 -7.248 494 HE22 GLN 61 2HE2 GLN 61 -6.086 -12.461 -7.884 495 H LEU 62 H LEU 62 -3.346 -8.984 -6.194 496 HA LEU 62 HA LEU 62 -2.235 -6.292 -6.113 497 HB2 LEU 62 1HB LEU 62 -1.006 -8.763 -4.931 498 HB3 LEU 62 2HB LEU 62 -0.748 -7.082 -4.467 499 HG LEU 62 HG LEU 62 -3.310 -8.616 -4.030 500 HD11 LEU 62 1HD1 LEU 62 -2.619 -8.533 -1.636 501 HD12 LEU 62 2HD1 LEU 62 -1.029 -7.989 -2.167 502 HD13 LEU 62 3HD1 LEU 62 -1.620 -9.580 -2.644 503 HD21 LEU 62 1HD2 LEU 62 -4.063 -6.484 -3.954 504 HD22 LEU 62 2HD2 LEU 62 -2.466 -5.813 -3.620 505 HD23 LEU 62 3HD2 LEU 62 -3.400 -6.558 -2.321 506 H LYS 63 H LYS 63 0.128 -6.034 -6.526 507 HA LYS 63 HA LYS 63 1.163 -7.843 -8.585 508 HB2 LYS 63 1HB LYS 63 -0.059 -5.616 -9.401 509 HB3 LYS 63 2HB LYS 63 1.518 -4.924 -9.046 510 HG2 LYS 63 1HG LYS 63 2.569 -6.515 -10.565 511 HG3 LYS 63 2HG LYS 63 0.992 -7.228 -10.913 512 HD2 LYS 63 1HD LYS 63 0.245 -5.301 -12.027 513 HD3 LYS 63 2HD LYS 63 1.536 -4.306 -11.350 514 HE2 LYS 63 1HE LYS 63 2.124 -6.628 -13.157 515 HE3 LYS 63 2HE LYS 63 1.728 -5.037 -13.804 516 HZ1 LYS 63 1HZ LYS 63 3.633 -4.106 -12.886 517 HZ2 LYS 63 2HZ LYS 63 4.172 -5.606 -13.451 518 HZ3 LYS 63 3HZ LYS 63 3.871 -5.383 -11.802 519 H GLU 64 H GLU 64 3.446 -7.750 -8.872 520 HA GLU 64 HA GLU 64 5.007 -6.089 -7.083 521 HB2 GLU 64 1HB GLU 64 4.709 -7.775 -5.508 522 HB3 GLU 64 2HB GLU 64 4.693 -9.046 -6.722 523 HG2 GLU 64 1HG GLU 64 7.067 -8.848 -7.036 524 HG3 GLU 64 2HG GLU 64 7.130 -7.460 -5.952 525 H THR 65 H THR 65 6.989 -5.656 -7.885 526 HA THR 65 HA THR 65 8.121 -7.376 -9.956 527 HB THR 65 HB THR 65 6.710 -5.590 -11.070 528 HG1 THR 65 1HG THR 65 8.198 -5.432 -12.679 529 HG21 THR 65 1HG2 THR 65 7.890 -3.351 -11.240 530 HG22 THR 65 2HG2 THR 65 8.837 -3.848 -9.837 531 HG23 THR 65 3HG2 THR 65 7.086 -3.687 -9.707 532 H PHE 66 H PHE 66 10.361 -6.666 -10.552 533 HA PHE 66 HA PHE 66 11.689 -5.222 -8.365 534 HB2 PHE 66 1HB PHE 66 12.045 -7.533 -7.840 535 HB3 PHE 66 2HB PHE 66 12.468 -7.907 -9.507 536 HD1 PHE 66 1HD PHE 66 13.580 -5.606 -6.785 537 HD2 PHE 66 2HD PHE 66 14.690 -8.203 -9.969 538 HE1 PHE 66 1HE PHE 66 15.954 -5.229 -6.260 539 HE2 PHE 66 2HE PHE 66 17.066 -7.831 -9.449 540 HZ PHE 66 HZ PHE 66 17.700 -6.343 -7.591 541 H GLU 67 H GLU 67 13.406 -3.957 -8.946 542 HA GLU 67 HA GLU 67 14.131 -3.939 -11.802 543 HB2 GLU 67 1HB GLU 67 13.273 -1.717 -10.021 544 HB3 GLU 67 2HB GLU 67 14.547 -1.373 -11.184 545 HG2 GLU 67 1HG GLU 67 13.082 -2.153 -12.994 546 HG3 GLU 67 2HG GLU 67 11.801 -2.432 -11.815 547 H ARG 68 H ARG 68 16.043 -5.048 -11.564 548 HA ARG 68 HA ARG 68 17.937 -4.598 -9.528 549 HB2 ARG 68 1HB ARG 68 19.498 -5.616 -11.423 550 HB3 ARG 68 2HB ARG 68 18.341 -6.604 -10.543 551 HG2 ARG 68 1HG ARG 68 17.392 -5.288 -13.020 552 HG3 ARG 68 2HG ARG 68 18.526 -6.629 -13.189 553 HD2 ARG 68 1HD ARG 68 16.209 -6.969 -11.358 554 HD3 ARG 68 2HD ARG 68 15.908 -7.012 -13.095 555 HE ARG 68 HE ARG 68 18.078 -8.703 -12.381 556 HH11 ARG 68 2HH1 ARG 68 14.603 -8.485 -12.350 557 HH12 ARG 68 1HH1 ARG 68 14.365 -10.200 -12.400 558 HH21 ARG 68 2HH2 ARG 68 17.777 -10.963 -12.447 559 HH22 ARG 68 1HH2 ARG 68 16.171 -11.609 -12.454 560 H HIS 69 H HIS 69 17.305 -2.991 -12.543 561 HA HIS 69 HA HIS 69 19.647 -1.780 -13.209 562 HB2 HIS 69 1HB HIS 69 17.082 -0.204 -13.072 563 HB3 HIS 69 2HB HIS 69 18.391 -0.055 -14.240 564 HD1 HIS 69 1HD HIS 69 15.446 -2.220 -13.376 565 HD2 HIS 69 2HD HIS 69 18.252 -1.780 -16.409 566 HE1 HIS 69 1HE HIS 69 14.630 -3.668 -15.264 567 HE2 HIS 69 2HE HIS 69 16.387 -3.452 -17.054 568 H SER 70 H SER 70 17.371 -0.633 -10.727 569 HA SER 70 HA SER 70 19.564 0.986 -9.605 570 HB2 SER 70 1HB SER 70 16.608 1.607 -9.423 571 HB3 SER 70 2HB SER 70 17.938 2.619 -8.861 572 HG SER 70 HG SER 70 18.610 2.779 -11.059 573 H ARG 71 H ARG 71 18.108 -1.793 -9.132 574 HA ARG 71 HA ARG 71 17.695 -3.160 -7.361 575 HB2 ARG 71 1HB ARG 71 19.316 -1.166 -5.773 576 HB3 ARG 71 2HB ARG 71 19.050 -2.862 -5.390 577 HG2 ARG 71 1HG ARG 71 20.164 -3.134 -7.808 578 HG3 ARG 71 2HG ARG 71 20.915 -1.617 -7.306 579 HD2 ARG 71 1HD ARG 71 21.294 -2.975 -5.065 580 HD3 ARG 71 2HD ARG 71 21.184 -4.349 -6.164 581 HE ARG 71 HE ARG 71 23.208 -3.750 -7.082 582 HH11 ARG 71 2HH1 ARG 71 22.051 -1.208 -5.004 583 HH12 ARG 71 1HH1 ARG 71 23.544 -0.330 -5.029 584 HH21 ARG 71 2HH2 ARG 71 25.179 -2.603 -7.123 585 HH22 ARG 71 1HH2 ARG 71 25.323 -1.124 -6.235 586 H VAL 72 H VAL 72 15.565 -1.654 -7.867 587 HA VAL 72 HA VAL 72 14.574 -0.938 -5.189 588 HB VAL 72 HB VAL 72 14.101 0.553 -7.768 589 HG11 VAL 72 1HG1 VAL 72 11.971 0.219 -6.581 590 HG12 VAL 72 2HG1 VAL 72 12.680 0.939 -5.135 591 HG13 VAL 72 3HG1 VAL 72 12.471 1.910 -6.593 592 HG21 VAL 72 1HG2 VAL 72 14.824 2.484 -6.316 593 HG22 VAL 72 2HG2 VAL 72 15.293 1.293 -5.103 594 HG23 VAL 72 3HG2 VAL 72 16.077 1.297 -6.683 595 H TYR 73 H TYR 73 12.746 -1.930 -4.616 596 HA TYR 73 HA TYR 73 11.416 -3.623 -6.586 597 HB2 TYR 73 1HB TYR 73 11.336 -3.496 -3.576 598 HB3 TYR 73 2HB TYR 73 10.204 -4.478 -4.499 599 HD1 TYR 73 2HD TYR 73 13.748 -4.037 -3.593 600 HD2 TYR 73 1HD TYR 73 10.888 -6.536 -5.510 601 HE1 TYR 73 2HE TYR 73 15.399 -5.858 -3.670 602 HE2 TYR 73 1HE TYR 73 12.531 -8.365 -5.591 603 HH TYR 73 HH TYR 73 14.539 -9.083 -4.552 604 H THR 74 H THR 74 9.379 -3.330 -7.297 605 HA THR 74 HA THR 74 7.856 -1.073 -6.167 606 HB THR 74 HB THR 74 7.927 -1.949 -9.061 607 HG1 THR 74 1HG THR 74 8.757 0.398 -9.090 608 HG21 THR 74 1HG2 THR 74 5.909 -0.616 -7.663 609 HG22 THR 74 2HG2 THR 74 6.100 -0.718 -9.413 610 HG23 THR 74 3HG2 THR 74 6.781 0.647 -8.530 611 H PHE 75 H PHE 75 6.080 -1.750 -5.179 612 HA PHE 75 HA PHE 75 4.711 -4.141 -6.223 613 HB2 PHE 75 1HB PHE 75 4.523 -3.095 -3.397 614 HB3 PHE 75 2HB PHE 75 3.982 -4.656 -4.007 615 HD1 PHE 75 2HD PHE 75 6.944 -2.626 -3.180 616 HD2 PHE 75 1HD PHE 75 5.467 -6.490 -4.182 617 HE1 PHE 75 2HE PHE 75 9.113 -3.611 -2.564 618 HE2 PHE 75 1HE PHE 75 7.633 -7.482 -3.567 619 HZ PHE 75 HZ PHE 75 9.460 -6.042 -2.758 620 H GLU 76 H GLU 76 2.696 -3.907 -6.949 621 HA GLU 76 HA GLU 76 1.285 -1.397 -6.321 622 HB2 GLU 76 1HB GLU 76 0.821 -3.078 -8.778 623 HB3 GLU 76 2HB GLU 76 0.306 -1.423 -8.483 624 HG2 GLU 76 1HG GLU 76 2.341 -0.547 -8.985 625 HG3 GLU 76 2HG GLU 76 3.215 -1.981 -8.452 626 H MET 77 H MET 77 -1.150 -1.609 -6.587 627 HA MET 77 HA MET 77 -2.153 -4.250 -5.833 628 HB2 MET 77 1HB MET 77 -1.673 -3.037 -3.730 629 HB3 MET 77 2HB MET 77 -2.744 -1.743 -4.249 630 HG2 MET 77 1HG MET 77 -3.875 -4.472 -4.199 631 HG3 MET 77 2HG MET 77 -3.517 -3.722 -2.645 632 HE1 MET 77 1HE MET 77 -4.118 -1.589 -1.961 633 HE2 MET 77 2HE MET 77 -5.395 -0.542 -2.580 634 HE3 MET 77 3HE MET 77 -5.804 -1.927 -1.568 635 H GLN 78 H GLN 78 -3.497 -4.600 -7.496 636 HA GLN 78 HA GLN 78 -5.111 -2.444 -8.579 637 HB2 GLN 78 1HB GLN 78 -3.933 -4.586 -9.750 638 HB3 GLN 78 2HB GLN 78 -5.562 -5.207 -9.521 639 HG2 GLN 78 1HG GLN 78 -6.497 -3.424 -10.803 640 HG3 GLN 78 2HG GLN 78 -4.940 -2.602 -10.886 641 HE21 GLN 78 1HE2 GLN 78 -3.235 -4.599 -11.528 642 HE22 GLN 78 2HE2 GLN 78 -3.627 -5.251 -13.078 643 H ILE 79 H ILE 79 -7.299 -2.243 -8.411 644 HA ILE 79 HA ILE 79 -8.701 -4.212 -6.728 645 HB ILE 79 HB ILE 79 -9.056 -1.214 -6.622 646 HG12 ILE 79 1HG1 ILE 79 -7.525 -3.165 -4.977 647 HG13 ILE 79 2HG1 ILE 79 -7.157 -1.487 -5.364 648 HG21 ILE 79 1HG2 ILE 79 -10.286 -3.113 -4.682 649 HG22 ILE 79 2HG2 ILE 79 -10.807 -1.499 -5.163 650 HG23 ILE 79 3HG2 ILE 79 -11.053 -2.866 -6.250 651 HD11 ILE 79 1HD1 ILE 79 -7.609 -1.365 -3.122 652 HD12 ILE 79 2HD1 ILE 79 -9.187 -0.985 -3.813 653 HD13 ILE 79 3HD1 ILE 79 -8.862 -2.605 -3.195 654 H ILE 80 H ILE 80 -9.877 -5.236 -8.265 655 HA ILE 80 HA ILE 80 -11.258 -3.728 -10.324 656 HB ILE 80 HB ILE 80 -11.653 -6.662 -9.860 657 HG12 ILE 80 1HG1 ILE 80 -9.634 -6.704 -11.625 658 HG13 ILE 80 2HG1 ILE 80 -9.168 -5.271 -10.715 659 HG21 ILE 80 1HG2 ILE 80 -11.302 -6.048 -12.565 660 HG22 ILE 80 2HG2 ILE 80 -12.814 -6.414 -11.736 661 HG23 ILE 80 3HG2 ILE 80 -12.283 -4.741 -11.902 662 HD11 ILE 80 1HD1 ILE 80 -9.755 -7.067 -8.736 663 HD12 ILE 80 2HD1 ILE 80 -9.027 -8.080 -9.983 664 HD13 ILE 80 3HD1 ILE 80 -8.144 -6.692 -9.347 665 H LYS 81 H LYS 81 -13.459 -3.494 -10.523 666 HA LYS 81 HA LYS 81 -15.565 -3.078 -9.750 667 HB2 LYS 81 1HB LYS 81 -15.294 -5.800 -8.470 668 HB3 LYS 81 2HB LYS 81 -16.779 -5.003 -8.972 669 HG2 LYS 81 1HG LYS 81 -15.593 -5.045 -11.329 670 HG3 LYS 81 2HG LYS 81 -14.729 -6.401 -10.600 671 HD2 LYS 81 1HD LYS 81 -16.977 -7.355 -9.981 672 HD3 LYS 81 2HD LYS 81 -17.702 -6.099 -10.986 673 HE2 LYS 81 1HE LYS 81 -15.554 -7.812 -12.141 674 HE3 LYS 81 2HE LYS 81 -17.173 -8.486 -11.959 675 HZ1 LYS 81 1HZ LYS 81 -16.631 -5.921 -13.344 676 HZ2 LYS 81 2HZ LYS 81 -18.069 -6.811 -13.345 677 HZ3 LYS 81 3HZ LYS 81 -16.705 -7.408 -14.147 678 H ALA 82 H ALA 82 -13.786 -1.788 -8.191 679 HA ALA 82 HA ALA 82 -13.659 -2.304 -5.489 680 HB1 ALA 82 1HB ALA 82 -13.833 0.384 -5.453 681 HB2 ALA 82 2HB ALA 82 -12.383 -0.499 -5.930 682 HB3 ALA 82 3HB ALA 82 -13.486 0.115 -7.161 683 H LYS 83 H LYS 83 -15.193 -2.648 -4.036 684 HA LYS 83 HA LYS 83 -17.888 -1.630 -4.500 685 HB2 LYS 83 1HB LYS 83 -17.074 -3.376 -2.194 686 HB3 LYS 83 2HB LYS 83 -18.647 -3.240 -2.971 687 HG2 LYS 83 1HG LYS 83 -17.857 -4.416 -4.906 688 HG3 LYS 83 2HG LYS 83 -16.207 -4.420 -4.281 689 HD2 LYS 83 1HD LYS 83 -17.014 -5.757 -2.341 690 HD3 LYS 83 2HD LYS 83 -18.596 -5.850 -3.119 691 HE2 LYS 83 1HE LYS 83 -16.026 -6.810 -4.370 692 HE3 LYS 83 2HE LYS 83 -17.146 -7.847 -3.489 693 HZ1 LYS 83 1HZ LYS 83 -17.363 -6.734 -6.153 694 HZ2 LYS 83 2HZ LYS 83 -18.785 -6.670 -5.240 695 HZ3 LYS 83 3HZ LYS 83 -18.023 -8.155 -5.516 696 H ASP 84 H ASP 84 -19.103 -0.840 -2.541 697 HA ASP 84 HA ASP 84 -17.938 1.490 -1.547 698 HB2 ASP 84 1HB ASP 84 -19.933 1.861 -0.454 699 HB3 ASP 84 2HB ASP 84 -20.446 0.679 -1.656 700 H ASN 85 H ASN 85 -17.785 -1.767 -0.397 701 HA ASN 85 HA ASN 85 -17.037 -1.165 2.289 702 HB2 ASN 85 1HB ASN 85 -16.685 -3.669 0.628 703 HB3 ASN 85 2HB ASN 85 -16.319 -3.563 2.347 704 HD21 ASN 85 1HD2 ASN 85 -17.908 -5.348 2.364 705 HD22 ASN 85 2HD2 ASN 85 -19.580 -4.940 2.510 706 H PHE 86 H PHE 86 -15.405 -1.036 -0.688 707 HA PHE 86 HA PHE 86 -12.763 -1.545 0.319 708 HB2 PHE 86 1HB PHE 86 -13.794 -0.411 -2.281 709 HB3 PHE 86 2HB PHE 86 -12.077 -0.576 -1.930 710 HD1 PHE 86 2HD PHE 86 -15.060 -2.769 -1.443 711 HD2 PHE 86 1HD PHE 86 -11.150 -2.331 -3.067 712 HE1 PHE 86 2HE PHE 86 -15.129 -5.099 -2.229 713 HE2 PHE 86 1HE PHE 86 -11.213 -4.661 -3.856 714 HZ PHE 86 HZ PHE 86 -13.204 -6.049 -3.436 715 H ALA 87 H ALA 87 -14.883 1.021 0.587 716 HA ALA 87 HA ALA 87 -12.865 3.111 0.578 717 HB1 ALA 87 1HB ALA 87 -14.581 4.451 0.155 718 HB2 ALA 87 2HB ALA 87 -15.644 3.043 0.183 719 HB3 ALA 87 3HB ALA 87 -15.376 3.974 1.656 720 H GLY 88 H GLY 88 -11.702 3.639 2.304 721 HA2 GLY 88 1HA GLY 88 -12.538 4.155 4.847 722 HA3 GLY 88 2HA GLY 88 -12.227 2.426 4.859 723 H ASN 89 H ASN 89 -10.548 2.700 6.374 724 HA ASN 89 HA ASN 89 -8.226 4.260 5.557 725 HB2 ASN 89 1HB ASN 89 -8.995 4.398 7.896 726 HB3 ASN 89 2HB ASN 89 -8.716 2.669 8.085 727 HD21 ASN 89 1HD2 ASN 89 -6.807 5.218 6.534 728 HD22 ASN 89 2HD2 ASN 89 -5.384 4.966 7.482 729 H TYR 90 H TYR 90 -6.471 3.413 4.640 730 HA TYR 90 HA TYR 90 -6.260 0.481 4.511 731 HB2 TYR 90 1HB TYR 90 -5.480 2.664 2.607 732 HB3 TYR 90 2HB TYR 90 -4.674 1.100 2.533 733 HD1 TYR 90 2HD TYR 90 -8.235 2.120 3.057 734 HD2 TYR 90 1HD TYR 90 -5.455 -0.109 0.733 735 HE1 TYR 90 2HE TYR 90 -10.087 1.237 1.701 736 HE2 TYR 90 1HE TYR 90 -7.299 -0.998 -0.631 737 HH TYR 90 HH TYR 90 -10.594 -0.610 0.257 738 H ARG 91 H ARG 91 -4.457 -0.538 5.202 739 HA ARG 91 HA ARG 91 -2.193 1.124 6.084 740 HB2 ARG 91 1HB ARG 91 -3.755 0.247 7.939 741 HB3 ARG 91 2HB ARG 91 -3.072 -1.333 7.579 742 HG2 ARG 91 1HG ARG 91 -0.799 -0.015 7.880 743 HG3 ARG 91 2HG ARG 91 -1.827 1.027 8.867 744 HD2 ARG 91 1HD ARG 91 -2.614 -1.277 9.872 745 HD3 ARG 91 2HD ARG 91 -1.046 -1.818 9.274 746 HE ARG 91 HE ARG 91 -0.447 0.432 10.656 747 HH11 ARG 91 2HH1 ARG 91 -2.220 -2.462 11.430 748 HH12 ARG 91 1HH1 ARG 91 -1.817 -2.414 13.114 749 HH21 ARG 91 2HH2 ARG 91 0.090 0.506 12.871 750 HH22 ARG 91 1HH2 ARG 91 -0.504 -0.726 13.933 751 H CYS 92 H CYS 92 -0.179 0.338 5.676 752 HA CYS 92 HA CYS 92 0.013 -2.338 4.468 753 HB2 CYS 92 1HB CYS 92 0.059 -0.615 2.700 754 HB3 CYS 92 2HB CYS 92 1.428 0.152 3.495 755 HG CYS 92 HG CYS 92 2.410 -1.182 1.274 756 H GLU 93 H GLU 93 2.177 -3.276 4.541 757 HA GLU 93 HA GLU 93 4.045 -2.094 6.431 758 HB2 GLU 93 1HB GLU 93 2.706 -4.762 6.892 759 HB3 GLU 93 2HB GLU 93 4.151 -4.233 7.742 760 HG2 GLU 93 1HG GLU 93 2.947 -2.378 8.712 761 HG3 GLU 93 2HG GLU 93 1.504 -2.803 7.794 762 H VAL 94 H VAL 94 5.983 -2.258 5.543 763 HA VAL 94 HA VAL 94 6.624 -4.674 3.981 764 HB VAL 94 HB VAL 94 7.394 -1.826 3.334 765 HG11 VAL 94 1HG1 VAL 94 8.242 -4.380 1.970 766 HG12 VAL 94 2HG1 VAL 94 8.621 -2.741 1.436 767 HG13 VAL 94 3HG1 VAL 94 9.274 -3.348 2.959 768 HG21 VAL 94 1HG2 VAL 94 6.235 -3.304 1.175 769 HG22 VAL 94 2HG2 VAL 94 5.178 -3.396 2.584 770 HG23 VAL 94 3HG2 VAL 94 5.660 -1.825 1.945 771 H THR 95 H THR 95 8.061 -5.780 5.137 772 HA THR 95 HA THR 95 10.090 -4.321 6.678 773 HB THR 95 HB THR 95 9.542 -7.279 6.857 774 HG1 THR 95 1HG THR 95 7.612 -6.065 7.313 775 HG21 THR 95 1HG2 THR 95 11.450 -5.565 8.023 776 HG22 THR 95 2HG2 THR 95 11.133 -7.255 8.417 777 HG23 THR 95 3HG2 THR 95 10.300 -5.973 9.295 778 H TYR 96 H TYR 96 12.147 -4.294 6.044 779 HA TYR 96 HA TYR 96 12.983 -6.201 3.959 780 HB2 TYR 96 1HB TYR 96 12.850 -3.798 3.251 781 HB3 TYR 96 2HB TYR 96 14.103 -3.432 4.431 782 HD1 TYR 96 2HD TYR 96 13.842 -6.357 2.144 783 HD2 TYR 96 1HD TYR 96 15.930 -2.783 3.129 784 HE1 TYR 96 2HE TYR 96 15.565 -6.912 0.479 785 HE2 TYR 96 1HE TYR 96 17.658 -3.327 1.465 786 HH TYR 96 HH TYR 96 18.523 -5.589 0.382 787 H LYS 97 H LYS 97 15.315 -6.706 3.942 788 HA LYS 97 HA LYS 97 16.189 -7.778 6.341 789 HB2 LYS 97 1HB LYS 97 18.114 -6.907 4.202 790 HB3 LYS 97 2HB LYS 97 18.199 -8.321 5.245 791 HG2 LYS 97 1HG LYS 97 16.583 -7.878 2.782 792 HG3 LYS 97 2HG LYS 97 17.591 -9.253 3.238 793 HD2 LYS 97 1HD LYS 97 15.790 -9.464 5.168 794 HD3 LYS 97 2HD LYS 97 14.786 -8.612 3.992 795 HE2 LYS 97 1HE LYS 97 15.516 -10.375 2.318 796 HE3 LYS 97 2HE LYS 97 16.161 -11.271 3.692 797 HZ1 LYS 97 1HZ LYS 97 13.800 -11.792 2.906 798 HZ2 LYS 97 2HZ LYS 97 13.358 -10.348 3.668 799 HZ3 LYS 97 3HZ LYS 97 14.054 -11.599 4.568 800 H ASP 98 H ASP 98 17.025 -4.679 4.849 801 HA ASP 98 HA ASP 98 18.899 -3.936 6.867 802 HB2 ASP 98 1HB ASP 98 17.414 -2.164 4.916 803 HB3 ASP 98 2HB ASP 98 18.865 -1.735 5.819 804 H LYS 99 H LYS 99 15.832 -2.316 6.058 805 HA LYS 99 HA LYS 99 15.198 -2.176 8.917 806 HB2 LYS 99 1HB LYS 99 15.136 0.189 7.033 807 HB3 LYS 99 2HB LYS 99 14.575 0.197 8.700 808 HG2 LYS 99 1HG LYS 99 16.695 0.164 9.563 809 HG3 LYS 99 2HG LYS 99 17.381 -0.619 8.137 810 HD2 LYS 99 1HD LYS 99 17.553 1.356 6.969 811 HD3 LYS 99 2HD LYS 99 16.245 2.126 7.871 812 HE2 LYS 99 1HE LYS 99 18.920 1.440 9.074 813 HE3 LYS 99 2HE LYS 99 18.553 3.004 8.348 814 HZ1 LYS 99 1HZ LYS 99 16.504 2.756 10.014 815 HZ2 LYS 99 2HZ LYS 99 17.963 3.492 10.450 816 HZ3 LYS 99 3HZ LYS 99 17.668 1.882 10.877 817 H PHE 100 H PHE 100 12.915 -1.340 9.248 818 HA PHE 100 HA PHE 100 11.183 -2.437 7.132 819 HB2 PHE 100 1HB PHE 100 10.707 -3.839 8.883 820 HB3 PHE 100 2HB PHE 100 11.110 -2.632 10.099 821 HD1 PHE 100 1HD PHE 100 8.506 -3.813 7.788 822 HD2 PHE 100 2HD PHE 100 9.456 -1.168 10.984 823 HE1 PHE 100 1HE PHE 100 6.111 -3.358 8.118 824 HE2 PHE 100 2HE PHE 100 7.062 -0.709 11.320 825 HZ PHE 100 HZ PHE 100 5.386 -1.805 9.887 826 H ASP 101 H ASP 101 9.605 -1.199 6.299 827 HA ASP 101 HA ASP 101 9.195 1.462 7.500 828 HB2 ASP 101 1HB ASP 101 8.643 2.236 5.196 829 HB3 ASP 101 2HB ASP 101 10.305 1.678 5.365 830 H SER 102 H SER 102 7.083 2.370 7.377 831 HA SER 102 HA SER 102 4.892 0.621 6.600 832 HB2 SER 102 1HB SER 102 3.772 0.833 8.793 833 HB3 SER 102 2HB SER 102 5.302 -0.033 8.921 834 HG SER 102 HG SER 102 5.170 2.750 9.348 835 H CYS 103 H CYS 103 3.180 1.728 5.843 836 HA CYS 103 HA CYS 103 2.724 4.484 6.612 837 HB2 CYS 103 1HB CYS 103 3.722 3.682 3.905 838 HB3 CYS 103 2HB CYS 103 2.600 5.031 4.043 839 HG CYS 103 HG CYS 103 4.336 6.796 4.722 840 H SER 104 H SER 104 0.613 5.018 6.516 841 HA SER 104 HA SER 104 -1.199 3.086 5.221 842 HB2 SER 104 1HB SER 104 -2.854 3.631 6.934 843 HB3 SER 104 2HB SER 104 -1.354 3.096 7.692 844 HG SER 104 HG SER 104 -1.564 5.817 7.247 845 H PHE 105 H PHE 105 -3.108 3.898 4.241 846 HA PHE 105 HA PHE 105 -3.168 6.787 3.739 847 HB2 PHE 105 1HB PHE 105 -3.727 6.218 1.311 848 HB3 PHE 105 2HB PHE 105 -2.047 6.027 1.803 849 HD1 PHE 105 1HD PHE 105 -1.379 3.634 2.607 850 HD2 PHE 105 2HD PHE 105 -4.773 4.503 0.189 851 HE1 PHE 105 1HE PHE 105 -1.414 1.302 1.824 852 HE2 PHE 105 2HE PHE 105 -4.814 2.172 -0.597 853 HZ PHE 105 HZ PHE 105 -3.134 0.568 0.221 854 H ASP 106 H ASP 106 -5.252 7.071 2.129 855 HA ASP 106 HA ASP 106 -7.464 5.582 3.376 856 HB2 ASP 106 1HB ASP 106 -8.660 7.495 3.866 857 HB3 ASP 106 2HB ASP 106 -7.015 8.059 4.147 858 H LEU 107 H LEU 107 -9.125 4.992 2.054 859 HA LEU 107 HA LEU 107 -8.954 5.832 -0.763 860 HB2 LEU 107 1HB LEU 107 -8.117 3.540 -0.444 861 HB3 LEU 107 2HB LEU 107 -9.664 3.089 0.268 862 HG LEU 107 HG LEU 107 -9.317 2.365 -2.109 863 HD11 LEU 107 1HD1 LEU 107 -11.554 2.668 -2.677 864 HD12 LEU 107 2HD1 LEU 107 -11.637 4.251 -1.904 865 HD13 LEU 107 3HD1 LEU 107 -11.551 2.792 -0.918 866 HD21 LEU 107 1HD2 LEU 107 -10.016 5.045 -3.096 867 HD22 LEU 107 2HD2 LEU 107 -8.970 3.811 -3.797 868 HD23 LEU 107 3HD2 LEU 107 -8.360 4.862 -2.518 869 H GLU 108 H GLU 108 -10.768 6.654 -1.580 870 HA GLU 108 HA GLU 108 -13.254 6.309 -0.045 871 HB2 GLU 108 1HB GLU 108 -12.141 8.556 -1.666 872 HB3 GLU 108 2HB GLU 108 -13.887 8.380 -1.562 873 HG2 GLU 108 1HG GLU 108 -13.645 8.382 0.931 874 HG3 GLU 108 2HG GLU 108 -11.952 8.809 0.695 875 H VAL 109 H VAL 109 -15.227 5.979 -1.159 876 HA VAL 109 HA VAL 109 -14.967 5.073 -3.946 877 HB VAL 109 HB VAL 109 -16.591 3.619 -1.857 878 HG11 VAL 109 1HG1 VAL 109 -17.143 3.616 -4.416 879 HG12 VAL 109 2HG1 VAL 109 -15.786 2.490 -4.497 880 HG13 VAL 109 3HG1 VAL 109 -17.186 2.116 -3.490 881 HG21 VAL 109 1HG2 VAL 109 -14.888 2.179 -1.454 882 HG22 VAL 109 2HG2 VAL 109 -14.219 2.341 -3.078 883 HG23 VAL 109 3HG2 VAL 109 -13.913 3.589 -1.870 884 H HIS 110 H HIS 110 -16.320 6.154 -5.204 885 HA HIS 110 HA HIS 110 -18.727 7.343 -4.015 886 HB2 HIS 110 1HB HIS 110 -17.204 8.006 -6.539 887 HB3 HIS 110 2HB HIS 110 -18.742 8.748 -6.105 888 HD1 HIS 110 1HD HIS 110 -17.319 11.016 -6.142 889 HD2 HIS 110 2HD HIS 110 -16.406 8.340 -3.098 890 HE1 HIS 110 1HE HIS 110 -16.027 12.346 -4.444 891 HE2 HIS 110 2HE HIS 110 -15.411 10.686 -2.652 892 H GLU 111 H GLU 111 -20.754 7.012 -4.879 893 HA GLU 111 HA GLU 111 -21.268 4.521 -6.068 894 HB2 GLU 111 1HB GLU 111 -23.012 6.975 -5.820 895 HB3 GLU 111 2HB GLU 111 -23.592 5.411 -6.375 896 HG2 GLU 111 1HG GLU 111 -22.560 4.582 -4.111 897 HG3 GLU 111 2HG GLU 111 -22.764 6.272 -3.653 898 H SER 112 H SER 112 -21.275 3.861 -8.115 899 HA SER 112 HA SER 112 -20.519 5.675 -10.209 900 HB2 SER 112 1HB SER 112 -19.651 3.369 -10.133 901 HB3 SER 112 2HB SER 112 -21.286 2.749 -10.359 902 HG SER 112 HG SER 112 -20.382 4.603 -12.221 903 H THR 113 H THR 113 -23.460 4.149 -9.123 904 HA THR 113 HA THR 113 -24.950 4.805 -11.503 905 HB THR 113 HB THR 113 -25.640 2.838 -10.311 906 HG1 THR 113 1HG THR 113 -27.651 4.704 -9.635 907 HG21 THR 113 1HG2 THR 113 -25.309 4.558 -7.986 908 HG22 THR 113 2HG2 THR 113 -25.292 2.798 -8.100 909 HG23 THR 113 3HG2 THR 113 -26.824 3.658 -7.952 910 H GLY 114 H GLY 114 -23.814 6.611 -8.981 911 HA2 GLY 114 1HA GLY 114 -26.060 8.520 -9.210 912 HA3 GLY 114 2HA GLY 114 -25.139 8.302 -7.729 913 H THR 115 H THR 115 -25.185 9.710 -10.904 914 HA THR 115 HA THR 115 -22.949 11.434 -10.122 915 HB THR 115 HB THR 115 -22.030 11.301 -12.449 916 HG1 THR 115 1HG THR 115 -22.662 9.390 -13.639 917 HG21 THR 115 1HG2 THR 115 -22.040 8.694 -10.922 918 HG22 THR 115 2HG2 THR 115 -20.999 10.076 -10.580 919 HG23 THR 115 3HG2 THR 115 -20.835 9.205 -12.104 920 H THR 116 H THR 116 -22.921 13.477 -11.149 921 HA THR 116 HA THR 116 -25.436 14.626 -11.600 922 HB THR 116 HB THR 116 -24.041 16.552 -12.608 923 HG1 THR 116 1HG THR 116 -22.062 15.925 -13.045 924 HG21 THR 116 1HG2 THR 116 -24.189 15.541 -9.858 925 HG22 THR 116 2HG2 THR 116 -24.542 17.147 -10.496 926 HG23 THR 116 3HG2 THR 116 -22.878 16.685 -10.141 927 HA PRO 117 HA PRO 117 -26.283 13.673 -15.816 928 HB2 PRO 117 1HB PRO 117 -27.998 15.703 -16.372 929 HB3 PRO 117 2HB PRO 117 -28.443 14.317 -15.369 930 HG2 PRO 117 1HG PRO 117 -27.590 17.063 -14.536 931 HG3 PRO 117 2HG PRO 117 -28.895 16.052 -13.888 932 HD2 PRO 117 1HD PRO 117 -26.490 16.287 -12.666 933 HD3 PRO 117 2HD PRO 117 -27.453 14.797 -12.600 934 H ASN 118 H ASN 118 -26.196 14.638 -17.998 935 HA ASN 118 HA ASN 118 -23.822 16.184 -18.326 936 HB2 ASN 118 1HB ASN 118 -24.907 14.361 -19.882 937 HB3 ASN 118 2HB ASN 118 -25.760 15.742 -20.565 938 HD21 ASN 118 1HD2 ASN 118 -22.455 15.333 -19.352 939 HD22 ASN 118 2HD2 ASN 118 -21.676 15.839 -20.808 940 H ILE 119 H ILE 119 -24.011 18.009 -20.137 941 HA ILE 119 HA ILE 119 -25.362 20.176 -18.879 942 HB ILE 119 HB ILE 119 -23.990 20.040 -21.567 943 HG12 ILE 119 1HG1 ILE 119 -22.461 19.607 -19.731 944 HG13 ILE 119 2HG1 ILE 119 -22.159 21.218 -20.374 945 HG21 ILE 119 1HG2 ILE 119 -24.868 22.038 -21.976 946 HG22 ILE 119 2HG2 ILE 119 -25.623 22.087 -20.384 947 HG23 ILE 119 3HG2 ILE 119 -23.970 22.663 -20.593 948 HD11 ILE 119 1HD1 ILE 119 -23.264 20.395 -17.751 949 HD12 ILE 119 2HD1 ILE 119 -22.106 21.664 -18.148 950 HD13 ILE 119 3HD1 ILE 119 -23.825 21.912 -18.453 951 H ASP 120 H ASP 120 -27.284 21.083 -19.301 952 HA ASP 120 HA ASP 120 -29.041 19.752 -21.186 953 HB2 ASP 120 1HB ASP 120 -29.460 21.847 -19.063 954 HB3 ASP 120 2HB ASP 120 -30.731 21.424 -20.208 955 H SER 121 H SER 121 -30.566 21.208 -22.474 956 HA SER 121 HA SER 121 -29.087 22.606 -24.393 957 HB2 SER 121 1HB SER 121 -31.347 23.423 -25.181 958 HB3 SER 121 2HB SER 121 -31.203 21.673 -25.016 959 HG SER 121 HG SER 121 -33.097 22.982 -24.032 960 H GLY 122 H GLY 122 -28.682 24.749 -24.761 961 HA2 GLY 122 1HA GLY 122 -28.815 26.484 -22.450 962 HA3 GLY 122 2HA GLY 122 -28.040 26.844 -23.986 963 HA PRO 123 HA PRO 123 -31.779 29.510 -23.762 964 HB2 PRO 123 1HB PRO 123 -30.585 31.649 -24.934 965 HB3 PRO 123 2HB PRO 123 -30.474 31.316 -23.201 966 HG2 PRO 123 1HG PRO 123 -28.499 30.730 -25.373 967 HG3 PRO 123 2HG PRO 123 -28.214 31.379 -23.748 968 HD2 PRO 123 1HD PRO 123 -27.793 28.778 -24.372 969 HD3 PRO 123 2HD PRO 123 -28.326 29.299 -22.761 970 H SER 124 H SER 124 -32.586 31.003 -25.683 971 HA SER 124 HA SER 124 -31.997 29.814 -28.282 972 HB2 SER 124 1HB SER 124 -34.266 29.239 -28.771 973 HB3 SER 124 2HB SER 124 -33.890 28.521 -27.205 974 HG SER 124 HG SER 124 -35.218 31.002 -27.579 975 H SER 125 H SER 125 -32.547 31.118 -30.045 976 HA SER 125 HA SER 125 -32.235 33.822 -29.815 977 HB2 SER 125 1HB SER 125 -33.772 32.307 -31.937 978 HB3 SER 125 2HB SER 125 -33.281 33.994 -32.083 979 HG SER 125 HG SER 125 -31.086 33.188 -31.726 980 H GLY 126 H GLY 126 -33.539 35.613 -29.625 981 HA2 GLY 126 1HA GLY 126 -36.328 35.672 -29.779 982 HA3 GLY 126 2HA GLY 126 -35.903 35.347 -28.105 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 11.887 18.216 12.926 2 HA2 GLY 1 1HA GLY 1 11.571 18.228 10.653 3 HA3 GLY 1 2HA GLY 1 12.124 19.896 10.704 4 H SER 2 H SER 2 13.652 20.195 9.234 5 HA SER 2 HA SER 2 15.108 18.357 7.860 6 HB2 SER 2 1HB SER 2 15.030 20.855 7.463 7 HB3 SER 2 2HB SER 2 16.266 21.017 8.710 8 HG SER 2 HG SER 2 16.551 19.377 6.414 9 H SER 3 H SER 3 16.133 19.963 10.864 10 HA SER 3 HA SER 3 18.434 18.189 11.063 11 HB2 SER 3 1HB SER 3 18.630 20.630 11.583 12 HB3 SER 3 2HB SER 3 17.565 20.377 12.965 13 HG SER 3 HG SER 3 20.070 20.219 13.102 14 H GLY 4 H GLY 4 18.333 16.314 12.096 15 HA2 GLY 4 1HA GLY 4 17.549 15.744 14.608 16 HA3 GLY 4 2HA GLY 4 16.028 15.672 13.731 17 H SER 5 H SER 5 15.967 13.430 14.404 18 HA SER 5 HA SER 5 17.720 11.711 12.773 19 HB2 SER 5 1HB SER 5 18.158 11.243 15.073 20 HB3 SER 5 2HB SER 5 16.439 11.212 15.464 21 HG SER 5 HG SER 5 18.012 9.291 14.170 22 H SER 6 H SER 6 16.784 10.553 11.227 23 HA SER 6 HA SER 6 13.957 9.826 11.476 24 HB2 SER 6 1HB SER 6 15.199 11.352 9.190 25 HB3 SER 6 2HB SER 6 13.711 10.426 8.995 26 HG SER 6 HG SER 6 14.005 12.346 11.046 27 H GLY 7 H GLY 7 13.308 8.072 10.079 28 HA2 GLY 7 1HA GLY 7 15.450 6.599 8.747 29 HA3 GLY 7 2HA GLY 7 14.674 5.807 10.111 30 H ILE 8 H ILE 8 14.087 7.199 6.918 31 HA ILE 8 HA ILE 8 11.758 5.409 6.666 32 HB ILE 8 HB ILE 8 12.134 8.050 5.251 33 HG12 ILE 8 1HG1 ILE 8 9.989 8.481 6.779 34 HG13 ILE 8 2HG1 ILE 8 10.797 7.304 7.808 35 HG21 ILE 8 1HG2 ILE 8 9.990 7.747 4.345 36 HG22 ILE 8 2HG2 ILE 8 10.791 6.189 4.147 37 HG23 ILE 8 3HG2 ILE 8 9.620 6.420 5.445 38 HD11 ILE 8 1HD1 ILE 8 11.444 9.465 8.532 39 HD12 ILE 8 2HD1 ILE 8 12.831 8.753 7.708 40 HD13 ILE 8 3HD1 ILE 8 11.845 9.964 6.889 41 H LEU 9 H LEU 9 12.208 3.772 5.360 42 HA LEU 9 HA LEU 9 14.002 4.242 3.072 43 HB2 LEU 9 1HB LEU 9 14.738 2.610 4.839 44 HB3 LEU 9 2HB LEU 9 13.377 1.595 4.364 45 HG LEU 9 HG LEU 9 14.539 1.845 1.978 46 HD11 LEU 9 1HD1 LEU 9 16.381 3.139 3.571 47 HD12 LEU 9 2HD1 LEU 9 16.671 2.485 1.959 48 HD13 LEU 9 3HD1 LEU 9 17.058 1.521 3.385 49 HD21 LEU 9 1HD2 LEU 9 16.016 -0.206 2.987 50 HD22 LEU 9 2HD2 LEU 9 14.330 -0.329 2.483 51 HD23 LEU 9 3HD2 LEU 9 14.726 -0.076 4.183 52 H PHE 10 H PHE 10 12.060 5.060 1.964 53 HA PHE 10 HA PHE 10 10.803 2.921 0.474 54 HB2 PHE 10 1HB PHE 10 9.402 3.662 2.616 55 HB3 PHE 10 2HB PHE 10 8.890 4.947 1.527 56 HD1 PHE 10 2HD PHE 10 9.577 1.327 0.962 57 HD2 PHE 10 1HD PHE 10 6.746 4.503 0.831 58 HE1 PHE 10 2HE PHE 10 7.926 -0.191 -0.047 59 HE2 PHE 10 1HE PHE 10 5.089 2.989 -0.178 60 HZ PHE 10 HZ PHE 10 5.679 0.638 -0.619 61 H ILE 11 H ILE 11 11.089 3.493 -1.568 62 HA ILE 11 HA ILE 11 11.770 6.078 -2.426 63 HB ILE 11 HB ILE 11 10.748 3.702 -3.976 64 HG12 ILE 11 1HG1 ILE 11 12.933 3.384 -2.938 65 HG13 ILE 11 2HG1 ILE 11 13.109 3.529 -4.684 66 HG21 ILE 11 1HG2 ILE 11 10.195 5.403 -5.427 67 HG22 ILE 11 2HG2 ILE 11 11.513 6.439 -4.883 68 HG23 ILE 11 3HG2 ILE 11 11.852 5.050 -5.915 69 HD11 ILE 11 1HD1 ILE 11 14.235 5.139 -2.570 70 HD12 ILE 11 2HD1 ILE 11 14.674 5.041 -4.276 71 HD13 ILE 11 3HD1 ILE 11 13.380 6.121 -3.759 72 H GLU 12 H GLU 12 8.890 4.343 -3.581 73 HA GLU 12 HA GLU 12 7.478 6.909 -3.690 74 HB2 GLU 12 1HB GLU 12 7.722 5.132 -5.646 75 HB3 GLU 12 2HB GLU 12 6.329 4.413 -4.849 76 HG2 GLU 12 1HG GLU 12 5.499 5.819 -6.552 77 HG3 GLU 12 2HG GLU 12 5.196 6.638 -5.021 78 H LYS 13 H LYS 13 5.205 6.974 -3.070 79 HA LYS 13 HA LYS 13 4.513 5.021 -0.980 80 HB2 LYS 13 1HB LYS 13 4.655 7.990 -0.821 81 HB3 LYS 13 2HB LYS 13 3.342 7.193 0.036 82 HG2 LYS 13 1HG LYS 13 4.873 5.928 1.356 83 HG3 LYS 13 2HG LYS 13 6.243 6.474 0.385 84 HD2 LYS 13 1HD LYS 13 5.348 8.854 1.128 85 HD3 LYS 13 2HD LYS 13 4.685 7.917 2.469 86 HE2 LYS 13 1HE LYS 13 7.558 7.655 1.648 87 HE3 LYS 13 2HE LYS 13 7.030 8.941 2.732 88 HZ1 LYS 13 1HZ LYS 13 7.817 7.005 3.950 89 HZ2 LYS 13 2HZ LYS 13 6.655 6.032 3.201 90 HZ3 LYS 13 3HZ LYS 13 6.172 7.271 4.246 91 HA PRO 14 HA PRO 14 0.774 4.704 -3.331 92 HB2 PRO 14 1HB PRO 14 -0.625 3.221 -1.538 93 HB3 PRO 14 2HB PRO 14 0.658 2.546 -2.549 94 HG2 PRO 14 1HG PRO 14 0.768 3.436 0.307 95 HG3 PRO 14 2HG PRO 14 1.468 1.989 -0.442 96 HD2 PRO 14 1HD PRO 14 2.935 4.195 0.115 97 HD3 PRO 14 2HD PRO 14 3.283 3.142 -1.272 98 H GLN 15 H GLN 15 0.379 7.035 -3.062 99 HA GLN 15 HA GLN 15 -1.021 8.036 -0.799 100 HB2 GLN 15 1HB GLN 15 -0.334 9.058 -3.511 101 HB3 GLN 15 2HB GLN 15 -1.619 9.872 -2.629 102 HG2 GLN 15 1HG GLN 15 -0.208 10.711 -1.060 103 HG3 GLN 15 2HG GLN 15 0.918 9.361 -1.190 104 HE21 GLN 15 1HE2 GLN 15 2.798 9.884 -2.017 105 HE22 GLN 15 2HE2 GLN 15 3.097 11.129 -3.177 106 H GLY 16 H GLY 16 -2.921 7.101 -0.292 107 HA2 GLY 16 1HA GLY 16 -4.758 5.839 -1.842 108 HA3 GLY 16 2HA GLY 16 -5.205 6.785 -0.430 109 H GLY 17 H GLY 17 -6.943 6.518 -2.550 110 HA2 GLY 17 1HA GLY 17 -7.194 9.306 -3.357 111 HA3 GLY 17 2HA GLY 17 -7.054 8.135 -4.660 112 H THR 18 H THR 18 -9.082 8.389 -5.506 113 HA THR 18 HA THR 18 -11.255 7.257 -3.909 114 HB THR 18 HB THR 18 -11.715 9.757 -5.529 115 HG1 THR 18 1HG THR 18 -11.771 10.783 -3.400 116 HG21 THR 18 1HG2 THR 18 -13.324 8.070 -3.659 117 HG22 THR 18 2HG2 THR 18 -13.775 8.761 -5.218 118 HG23 THR 18 3HG2 THR 18 -13.675 9.793 -3.792 119 H VAL 19 H VAL 19 -12.099 5.640 -5.032 120 HA VAL 19 HA VAL 19 -12.115 5.823 -7.975 121 HB VAL 19 HB VAL 19 -10.643 4.038 -7.156 122 HG11 VAL 19 1HG1 VAL 19 -12.883 2.387 -6.177 123 HG12 VAL 19 2HG1 VAL 19 -11.212 2.485 -5.617 124 HG13 VAL 19 3HG1 VAL 19 -12.381 3.713 -5.129 125 HG21 VAL 19 1HG2 VAL 19 -11.204 2.783 -8.913 126 HG22 VAL 19 2HG2 VAL 19 -12.750 2.333 -8.196 127 HG23 VAL 19 3HG2 VAL 19 -12.603 3.840 -9.098 128 H LYS 20 H LYS 20 -13.955 5.218 -9.087 129 HA LYS 20 HA LYS 20 -16.424 5.493 -7.654 130 HB2 LYS 20 1HB LYS 20 -15.828 6.282 -10.060 131 HB3 LYS 20 2HB LYS 20 -16.231 4.634 -10.525 132 HG2 LYS 20 1HG LYS 20 -18.161 5.976 -10.861 133 HG3 LYS 20 2HG LYS 20 -18.460 4.955 -9.452 134 HD2 LYS 20 1HD LYS 20 -19.230 7.204 -9.005 135 HD3 LYS 20 2HD LYS 20 -17.831 6.846 -7.991 136 HE2 LYS 20 1HE LYS 20 -17.741 9.104 -8.977 137 HE3 LYS 20 2HE LYS 20 -16.388 8.091 -9.476 138 HZ1 LYS 20 1HZ LYS 20 -16.947 8.410 -11.578 139 HZ2 LYS 20 2HZ LYS 20 -18.204 9.436 -11.100 140 HZ3 LYS 20 3HZ LYS 20 -18.496 7.783 -11.311 141 H VAL 21 H VAL 21 -18.160 3.971 -7.636 142 HA VAL 21 HA VAL 21 -17.410 1.368 -6.901 143 HB VAL 21 HB VAL 21 -20.105 2.500 -7.648 144 HG11 VAL 21 1HG1 VAL 21 -19.336 -0.237 -7.399 145 HG12 VAL 21 2HG1 VAL 21 -20.394 0.189 -6.053 146 HG13 VAL 21 3HG1 VAL 21 -20.932 0.442 -7.713 147 HG21 VAL 21 1HG2 VAL 21 -20.359 2.079 -5.087 148 HG22 VAL 21 2HG2 VAL 21 -18.595 2.103 -5.099 149 HG23 VAL 21 3HG2 VAL 21 -19.500 3.509 -5.661 150 H GLY 22 H GLY 22 -16.820 -0.293 -8.123 151 HA2 GLY 22 1HA GLY 22 -17.222 -1.905 -9.817 152 HA3 GLY 22 2HA GLY 22 -18.128 -0.697 -10.715 153 H GLU 23 H GLU 23 -15.735 1.160 -9.991 154 HA GLU 23 HA GLU 23 -14.372 0.759 -12.481 155 HB2 GLU 23 1HB GLU 23 -14.331 2.788 -10.312 156 HB3 GLU 23 2HB GLU 23 -12.889 2.657 -11.309 157 HG2 GLU 23 1HG GLU 23 -14.761 4.320 -11.961 158 HG3 GLU 23 2HG GLU 23 -13.968 3.362 -13.209 159 H ASP 24 H ASP 24 -11.827 1.133 -12.304 160 HA ASP 24 HA ASP 24 -10.781 -0.816 -10.358 161 HB2 ASP 24 1HB ASP 24 -9.370 -1.793 -12.015 162 HB3 ASP 24 2HB ASP 24 -10.987 -1.720 -12.710 163 H ILE 25 H ILE 25 -9.247 -0.009 -9.102 164 HA ILE 25 HA ILE 25 -7.637 2.242 -10.116 165 HB ILE 25 HB ILE 25 -9.137 3.104 -8.440 166 HG12 ILE 25 1HG1 ILE 25 -6.533 2.768 -6.977 167 HG13 ILE 25 2HG1 ILE 25 -6.608 3.689 -8.475 168 HG21 ILE 25 1HG2 ILE 25 -8.067 0.946 -6.627 169 HG22 ILE 25 2HG2 ILE 25 -9.175 2.233 -6.152 170 HG23 ILE 25 3HG2 ILE 25 -9.687 1.014 -7.320 171 HD11 ILE 25 1HD1 ILE 25 -7.054 5.429 -7.165 172 HD12 ILE 25 2HD1 ILE 25 -8.674 4.745 -7.028 173 HD13 ILE 25 3HD1 ILE 25 -7.465 4.405 -5.790 174 H THR 26 H THR 26 -5.472 2.372 -9.391 175 HA THR 26 HA THR 26 -4.413 -0.031 -8.073 176 HB THR 26 HB THR 26 -3.129 1.232 -10.501 177 HG1 THR 26 1HG THR 26 -3.854 -0.648 -11.584 178 HG21 THR 26 1HG2 THR 26 -1.679 -0.734 -10.452 179 HG22 THR 26 2HG2 THR 26 -2.508 -1.322 -9.011 180 HG23 THR 26 3HG2 THR 26 -1.563 0.165 -8.940 181 H PHE 27 H PHE 27 -2.666 0.292 -6.745 182 HA PHE 27 HA PHE 27 -1.886 3.099 -6.328 183 HB2 PHE 27 1HB PHE 27 -1.735 0.821 -4.345 184 HB3 PHE 27 2HB PHE 27 -1.421 2.522 -4.018 185 HD1 PHE 27 1HD PHE 27 -4.020 0.034 -4.757 186 HD2 PHE 27 2HD PHE 27 -3.204 4.066 -3.666 187 HE1 PHE 27 1HE PHE 27 -6.389 0.352 -4.174 188 HE2 PHE 27 2HE PHE 27 -5.571 4.391 -3.080 189 HZ PHE 27 HZ PHE 27 -7.167 2.532 -3.333 190 H ILE 28 H ILE 28 0.257 3.659 -6.173 191 HA ILE 28 HA ILE 28 2.154 1.625 -7.110 192 HB ILE 28 HB ILE 28 2.291 4.638 -7.159 193 HG12 ILE 28 1HG1 ILE 28 0.870 3.605 -8.881 194 HG13 ILE 28 2HG1 ILE 28 2.306 4.334 -9.591 195 HG21 ILE 28 1HG2 ILE 28 4.419 4.130 -8.529 196 HG22 ILE 28 2HG2 ILE 28 4.507 4.066 -6.769 197 HG23 ILE 28 3HG2 ILE 28 4.389 2.573 -7.701 198 HD11 ILE 28 1HD1 ILE 28 1.586 1.460 -9.300 199 HD12 ILE 28 2HD1 ILE 28 2.189 2.337 -10.707 200 HD13 ILE 28 3HD1 ILE 28 3.283 1.931 -9.385 201 H ALA 29 H ALA 29 3.963 1.091 -5.985 202 HA ALA 29 HA ALA 29 4.761 2.616 -3.651 203 HB1 ALA 29 1HB ALA 29 4.704 0.039 -2.615 204 HB2 ALA 29 2HB ALA 29 3.636 1.376 -2.187 205 HB3 ALA 29 3HB ALA 29 3.152 0.225 -3.433 206 H LYS 30 H LYS 30 6.879 2.811 -3.906 207 HA LYS 30 HA LYS 30 8.395 0.502 -4.934 208 HB2 LYS 30 1HB LYS 30 8.757 3.457 -5.336 209 HB3 LYS 30 2HB LYS 30 10.111 2.352 -5.534 210 HG2 LYS 30 1HG LYS 30 9.235 1.394 -7.421 211 HG3 LYS 30 2HG LYS 30 7.571 1.778 -6.976 212 HD2 LYS 30 1HD LYS 30 8.547 4.264 -7.241 213 HD3 LYS 30 2HD LYS 30 9.593 3.417 -8.383 214 HE2 LYS 30 1HE LYS 30 7.262 2.381 -9.137 215 HE3 LYS 30 2HE LYS 30 6.665 3.900 -8.472 216 HZ1 LYS 30 1HZ LYS 30 7.155 4.057 -10.846 217 HZ2 LYS 30 2HZ LYS 30 8.772 3.659 -10.551 218 HZ3 LYS 30 3HZ LYS 30 8.133 5.103 -9.944 219 H VAL 31 H VAL 31 10.545 0.196 -4.087 220 HA VAL 31 HA VAL 31 11.127 1.536 -1.551 221 HB VAL 31 HB VAL 31 9.886 -0.485 -0.932 222 HG11 VAL 31 1HG1 VAL 31 10.732 -2.698 -1.429 223 HG12 VAL 31 2HG1 VAL 31 10.447 -1.816 -2.931 224 HG13 VAL 31 3HG1 VAL 31 12.090 -2.008 -2.318 225 HG21 VAL 31 1HG2 VAL 31 12.715 -1.120 -0.240 226 HG22 VAL 31 2HG2 VAL 31 12.032 0.423 0.274 227 HG23 VAL 31 3HG2 VAL 31 11.284 -1.088 0.790 228 H LYS 32 H LYS 32 13.265 1.810 -1.153 229 HA LYS 32 HA LYS 32 15.097 1.282 -3.301 230 HB2 LYS 32 1HB LYS 32 15.006 3.315 -1.669 231 HB3 LYS 32 2HB LYS 32 15.935 2.276 -0.597 232 HG2 LYS 32 1HG LYS 32 17.494 3.607 -1.760 233 HG3 LYS 32 2HG LYS 32 17.584 1.997 -2.479 234 HD2 LYS 32 1HD LYS 32 15.764 3.029 -4.107 235 HD3 LYS 32 2HD LYS 32 16.539 4.538 -3.617 236 HE2 LYS 32 1HE LYS 32 18.251 2.252 -4.462 237 HE3 LYS 32 2HE LYS 32 17.396 3.171 -5.700 238 HZ1 LYS 32 1HZ LYS 32 19.351 4.322 -5.548 239 HZ2 LYS 32 2HZ LYS 32 19.538 4.039 -3.891 240 HZ3 LYS 32 3HZ LYS 32 18.416 5.183 -4.432 241 H ALA 33 H ALA 33 16.139 -0.568 -3.575 242 HA ALA 33 HA ALA 33 16.770 -2.196 -1.199 243 HB1 ALA 33 1HB ALA 33 15.538 -2.880 -3.726 244 HB2 ALA 33 2HB ALA 33 16.959 -3.874 -3.401 245 HB3 ALA 33 3HB ALA 33 15.640 -3.811 -2.232 246 H GLU 34 H GLU 34 18.779 -3.315 -1.167 247 HA GLU 34 HA GLU 34 20.822 -2.110 -2.917 248 HB2 GLU 34 1HB GLU 34 21.138 -3.082 -0.071 249 HB3 GLU 34 2HB GLU 34 22.415 -2.402 -1.070 250 HG2 GLU 34 1HG GLU 34 21.334 -0.265 -1.106 251 HG3 GLU 34 2HG GLU 34 19.921 -0.919 -0.279 252 H ASP 35 H ASP 35 19.993 -5.023 -1.060 253 HA ASP 35 HA ASP 35 21.910 -6.597 -2.582 254 HB2 ASP 35 1HB ASP 35 21.302 -6.788 -0.021 255 HB3 ASP 35 2HB ASP 35 20.002 -7.811 -0.626 256 H LEU 36 H LEU 36 21.236 -8.641 -3.584 257 HA LEU 36 HA LEU 36 18.653 -8.312 -4.944 258 HB2 LEU 36 1HB LEU 36 21.035 -9.977 -5.744 259 HB3 LEU 36 2HB LEU 36 19.565 -9.743 -6.688 260 HG LEU 36 HG LEU 36 21.717 -7.722 -6.093 261 HD11 LEU 36 1HD1 LEU 36 22.388 -8.000 -8.217 262 HD12 LEU 36 2HD1 LEU 36 20.744 -8.194 -8.823 263 HD13 LEU 36 3HD1 LEU 36 21.575 -9.559 -8.079 264 HD21 LEU 36 1HD2 LEU 36 19.971 -6.517 -7.825 265 HD22 LEU 36 2HD2 LEU 36 20.090 -6.189 -6.096 266 HD23 LEU 36 3HD2 LEU 36 18.887 -7.332 -6.697 267 H LEU 37 H LEU 37 20.689 -10.697 -3.308 268 HA LEU 37 HA LEU 37 19.059 -12.934 -3.581 269 HB2 LEU 37 1HB LEU 37 20.930 -12.106 -1.376 270 HB3 LEU 37 2HB LEU 37 20.128 -13.675 -1.413 271 HG LEU 37 HG LEU 37 22.437 -13.811 -2.206 272 HD11 LEU 37 1HD1 LEU 37 21.997 -14.979 -4.303 273 HD12 LEU 37 2HD1 LEU 37 20.399 -14.240 -4.386 274 HD13 LEU 37 3HD1 LEU 37 20.781 -15.368 -3.087 275 HD21 LEU 37 1HD2 LEU 37 21.538 -11.990 -4.436 276 HD22 LEU 37 2HD2 LEU 37 23.124 -12.742 -4.266 277 HD23 LEU 37 3HD2 LEU 37 22.597 -11.523 -3.105 278 H ARG 38 H ARG 38 18.794 -10.189 -1.442 279 HA ARG 38 HA ARG 38 16.599 -11.446 0.026 280 HB2 ARG 38 1HB ARG 38 17.798 -8.712 0.474 281 HB3 ARG 38 2HB ARG 38 16.764 -9.618 1.571 282 HG2 ARG 38 1HG ARG 38 19.378 -10.779 0.730 283 HG3 ARG 38 2HG ARG 38 19.336 -9.515 1.961 284 HD2 ARG 38 1HD ARG 38 18.154 -10.829 3.455 285 HD3 ARG 38 2HD ARG 38 17.521 -11.878 2.187 286 HE ARG 38 HE ARG 38 19.334 -13.216 2.496 287 HH11 ARG 38 2HH1 ARG 38 20.128 -10.019 3.622 288 HH12 ARG 38 1HH1 ARG 38 21.695 -10.472 4.205 289 HH21 ARG 38 2HH2 ARG 38 21.395 -13.825 3.261 290 HH22 ARG 38 1HH2 ARG 38 22.415 -12.637 3.999 291 H LYS 39 H LYS 39 14.509 -10.692 -0.004 292 HA LYS 39 HA LYS 39 13.890 -8.488 -1.845 293 HB2 LYS 39 1HB LYS 39 13.479 -10.448 -3.150 294 HB3 LYS 39 2HB LYS 39 12.642 -11.236 -1.818 295 HG2 LYS 39 1HG LYS 39 10.898 -9.443 -1.979 296 HG3 LYS 39 2HG LYS 39 11.692 -8.902 -3.459 297 HD2 LYS 39 1HD LYS 39 10.649 -11.696 -3.007 298 HD3 LYS 39 2HD LYS 39 9.760 -10.424 -3.848 299 HE2 LYS 39 1HE LYS 39 11.698 -10.247 -5.428 300 HE3 LYS 39 2HE LYS 39 12.378 -11.679 -4.657 301 HZ1 LYS 39 1HZ LYS 39 11.240 -12.554 -6.440 302 HZ2 LYS 39 2HZ LYS 39 9.966 -11.447 -6.328 303 HZ3 LYS 39 3HZ LYS 39 10.093 -12.706 -5.205 304 HA PRO 40 HA PRO 40 11.586 -7.252 1.761 305 HB2 PRO 40 1HB PRO 40 10.594 -4.964 0.686 306 HB3 PRO 40 2HB PRO 40 12.258 -5.111 1.265 307 HG2 PRO 40 1HG PRO 40 11.203 -5.287 -1.531 308 HG3 PRO 40 2HG PRO 40 12.650 -4.455 -0.931 309 HD2 PRO 40 1HD PRO 40 12.758 -6.872 -2.148 310 HD3 PRO 40 2HD PRO 40 13.893 -6.395 -0.869 311 H THR 41 H THR 41 9.747 -8.270 2.240 312 HA THR 41 HA THR 41 7.718 -8.747 0.238 313 HB THR 41 HB THR 41 7.589 -9.407 3.184 314 HG1 THR 41 1HG THR 41 8.932 -10.628 1.051 315 HG21 THR 41 1HG2 THR 41 5.672 -10.486 2.743 316 HG22 THR 41 2HG2 THR 41 6.310 -11.186 1.255 317 HG23 THR 41 3HG2 THR 41 5.640 -9.555 1.246 318 H ILE 42 H ILE 42 5.789 -7.748 0.038 319 HA ILE 42 HA ILE 42 5.205 -5.567 1.933 320 HB ILE 42 HB ILE 42 5.756 -4.765 -0.329 321 HG12 ILE 42 1HG1 ILE 42 2.812 -4.321 -0.040 322 HG13 ILE 42 2HG1 ILE 42 3.882 -3.804 1.259 323 HG21 ILE 42 1HG2 ILE 42 3.246 -6.099 -1.298 324 HG22 ILE 42 2HG2 ILE 42 4.514 -5.322 -2.245 325 HG23 ILE 42 3HG2 ILE 42 4.831 -6.858 -1.440 326 HD11 ILE 42 1HD1 ILE 42 4.752 -2.972 -1.402 327 HD12 ILE 42 2HD1 ILE 42 3.197 -2.306 -0.899 328 HD13 ILE 42 3HD1 ILE 42 4.629 -2.053 0.098 329 H LYS 43 H LYS 43 3.395 -5.732 3.072 330 HA LYS 43 HA LYS 43 1.272 -7.523 2.083 331 HB2 LYS 43 1HB LYS 43 2.576 -8.315 4.118 332 HB3 LYS 43 2HB LYS 43 1.856 -6.969 4.990 333 HG2 LYS 43 1HG LYS 43 0.420 -8.667 5.530 334 HG3 LYS 43 2HG LYS 43 -0.388 -7.981 4.118 335 HD2 LYS 43 1HD LYS 43 -0.436 -10.243 3.646 336 HD3 LYS 43 2HD LYS 43 1.024 -9.726 2.799 337 HE2 LYS 43 1HE LYS 43 2.292 -10.374 4.901 338 HE3 LYS 43 2HE LYS 43 0.807 -11.159 5.435 339 HZ1 LYS 43 1HZ LYS 43 1.960 -12.854 4.403 340 HZ2 LYS 43 2HZ LYS 43 2.556 -11.861 3.170 341 HZ3 LYS 43 3HZ LYS 43 0.931 -12.330 3.167 342 H TRP 44 H TRP 44 -0.500 -6.451 1.545 343 HA TRP 44 HA TRP 44 -0.956 -3.763 2.513 344 HB2 TRP 44 1HB TRP 44 -2.640 -5.459 0.657 345 HB3 TRP 44 2HB TRP 44 -2.826 -3.731 0.940 346 HD1 TRP 44 HD TRP 44 -0.400 -6.231 -0.704 347 HE1 TRP 44 1HE TRP 44 0.993 -4.967 -2.461 348 HE3 TRP 44 3HE TRP 44 -2.016 -1.475 0.248 349 HZ2 TRP 44 2HZ TRP 44 1.359 -2.305 -3.328 350 HZ3 TRP 44 3HZ TRP 44 -1.094 0.374 -1.089 351 HH2 TRP 44 HH TRP 44 0.558 -0.035 -2.840 352 H PHE 45 H PHE 45 -2.667 -3.072 3.770 353 HA PHE 45 HA PHE 45 -4.464 -5.100 4.879 354 HB2 PHE 45 1HB PHE 45 -2.602 -3.333 6.451 355 HB3 PHE 45 2HB PHE 45 -4.079 -3.971 7.164 356 HD1 PHE 45 1HD PHE 45 -4.400 -6.511 7.122 357 HD2 PHE 45 2HD PHE 45 -0.660 -4.599 6.436 358 HE1 PHE 45 1HE PHE 45 -3.233 -8.608 7.666 359 HE2 PHE 45 2HE PHE 45 0.514 -6.693 6.977 360 HZ PHE 45 HZ PHE 45 -0.773 -8.701 7.592 361 H LYS 46 H LYS 46 -6.262 -4.100 6.138 362 HA LYS 46 HA LYS 46 -6.821 -1.311 5.721 363 HB2 LYS 46 1HB LYS 46 -7.374 -2.560 3.524 364 HB3 LYS 46 2HB LYS 46 -8.740 -3.220 4.412 365 HG2 LYS 46 1HG LYS 46 -8.353 -0.280 4.459 366 HG3 LYS 46 2HG LYS 46 -8.934 -1.018 2.964 367 HD2 LYS 46 1HD LYS 46 -10.719 -2.141 4.311 368 HD3 LYS 46 2HD LYS 46 -10.192 -1.187 5.700 369 HE2 LYS 46 1HE LYS 46 -11.911 0.106 4.875 370 HE3 LYS 46 2HE LYS 46 -10.514 0.830 4.081 371 HZ1 LYS 46 1HZ LYS 46 -12.779 -0.311 2.899 372 HZ2 LYS 46 2HZ LYS 46 -11.445 -1.261 2.475 373 HZ3 LYS 46 3HZ LYS 46 -11.445 0.396 2.137 374 H GLY 47 H GLY 47 -8.513 -0.559 6.997 375 HA2 GLY 47 1HA GLY 47 -10.173 -0.626 8.605 376 HA3 GLY 47 2HA GLY 47 -10.299 -2.360 8.346 377 H LYS 48 H LYS 48 -10.107 -3.293 10.276 378 HA LYS 48 HA LYS 48 -8.049 -2.304 12.125 379 HB2 LYS 48 1HB LYS 48 -10.663 -3.688 12.480 380 HB3 LYS 48 2HB LYS 48 -9.402 -4.004 13.664 381 HG2 LYS 48 1HG LYS 48 -9.230 -1.400 13.746 382 HG3 LYS 48 2HG LYS 48 -10.862 -1.474 13.077 383 HD2 LYS 48 1HD LYS 48 -11.741 -2.424 14.972 384 HD3 LYS 48 2HD LYS 48 -10.211 -3.172 15.437 385 HE2 LYS 48 1HE LYS 48 -10.815 -1.355 16.956 386 HE3 LYS 48 2HE LYS 48 -9.330 -0.992 16.080 387 HZ1 LYS 48 1HZ LYS 48 -10.320 0.933 15.607 388 HZ2 LYS 48 2HZ LYS 48 -11.856 0.376 16.043 389 HZ3 LYS 48 3HZ LYS 48 -11.252 0.064 14.494 390 H TRP 49 H TRP 49 -9.442 -5.381 10.982 391 HA TRP 49 HA TRP 49 -6.781 -6.596 11.342 392 HB2 TRP 49 1HB TRP 49 -9.234 -8.294 11.441 393 HB3 TRP 49 2HB TRP 49 -7.681 -8.516 12.243 394 HD1 TRP 49 HD TRP 49 -10.764 -6.172 12.529 395 HE1 TRP 49 1HE TRP 49 -11.085 -5.593 15.017 396 HE3 TRP 49 3HE TRP 49 -6.690 -8.584 14.457 397 HZ2 TRP 49 2HZ TRP 49 -9.784 -6.092 17.471 398 HZ3 TRP 49 3HZ TRP 49 -6.299 -8.484 16.885 399 HH2 TRP 49 HH TRP 49 -7.815 -7.263 18.358 400 H MET 50 H MET 50 -9.554 -6.146 9.316 401 HA MET 50 HA MET 50 -9.443 -8.117 7.457 402 HB2 MET 50 1HB MET 50 -10.789 -5.835 7.567 403 HB3 MET 50 2HB MET 50 -9.565 -5.326 6.412 404 HG2 MET 50 1HG MET 50 -10.180 -7.391 5.076 405 HG3 MET 50 2HG MET 50 -11.582 -7.527 6.135 406 HE1 MET 50 1HE MET 50 -10.934 -4.613 2.699 407 HE2 MET 50 2HE MET 50 -9.633 -4.995 3.827 408 HE3 MET 50 3HE MET 50 -10.358 -6.273 2.851 409 H ASP 51 H ASP 51 -8.031 -8.879 6.013 410 HA ASP 51 HA ASP 51 -5.635 -7.260 5.439 411 HB2 ASP 51 1HB ASP 51 -5.292 -9.347 6.839 412 HB3 ASP 51 2HB ASP 51 -5.759 -10.277 5.418 413 H LEU 52 H LEU 52 -5.906 -6.428 3.465 414 HA LEU 52 HA LEU 52 -7.522 -7.377 1.430 415 HB2 LEU 52 1HB LEU 52 -4.939 -5.896 0.997 416 HB3 LEU 52 2HB LEU 52 -6.364 -5.896 -0.039 417 HG LEU 52 HG LEU 52 -6.198 -4.670 2.715 418 HD11 LEU 52 1HD1 LEU 52 -5.775 -2.657 1.773 419 HD12 LEU 52 2HD1 LEU 52 -6.639 -3.043 0.286 420 HD13 LEU 52 3HD1 LEU 52 -5.009 -3.665 0.545 421 HD21 LEU 52 1HD2 LEU 52 -8.385 -3.773 2.256 422 HD22 LEU 52 2HD2 LEU 52 -8.435 -5.529 2.088 423 HD23 LEU 52 3HD2 LEU 52 -8.391 -4.506 0.651 424 H ALA 53 H ALA 53 -4.245 -8.270 2.273 425 HA ALA 53 HA ALA 53 -3.309 -9.503 0.022 426 HB1 ALA 53 1HB ALA 53 -1.766 -10.511 1.353 427 HB2 ALA 53 2HB ALA 53 -2.390 -9.334 2.510 428 HB3 ALA 53 3HB ALA 53 -2.959 -11.003 2.556 429 H SER 54 H SER 54 -5.324 -11.055 2.525 430 HA SER 54 HA SER 54 -5.664 -13.443 0.982 431 HB2 SER 54 1HB SER 54 -7.546 -12.783 3.198 432 HB3 SER 54 2HB SER 54 -6.733 -14.304 2.827 433 HG SER 54 HG SER 54 -5.702 -13.549 4.593 434 H LYS 55 H LYS 55 -7.065 -10.389 0.870 435 HA LYS 55 HA LYS 55 -9.681 -11.241 -0.021 436 HB2 LYS 55 1HB LYS 55 -8.391 -8.506 -0.013 437 HB3 LYS 55 2HB LYS 55 -10.076 -8.831 -0.399 438 HG2 LYS 55 1HG LYS 55 -8.785 -9.451 2.248 439 HG3 LYS 55 2HG LYS 55 -9.721 -7.996 1.901 440 HD2 LYS 55 1HD LYS 55 -11.594 -9.600 1.199 441 HD3 LYS 55 2HD LYS 55 -10.656 -10.848 2.023 442 HE2 LYS 55 1HE LYS 55 -10.650 -9.027 3.954 443 HE3 LYS 55 2HE LYS 55 -12.126 -8.517 3.136 444 HZ1 LYS 55 1HZ LYS 55 -12.011 -11.350 3.506 445 HZ2 LYS 55 2HZ LYS 55 -13.227 -10.256 3.939 446 HZ3 LYS 55 3HZ LYS 55 -11.917 -10.518 4.977 447 H ALA 56 H ALA 56 -6.652 -10.208 -1.434 448 HA ALA 56 HA ALA 56 -7.527 -9.653 -4.038 449 HB1 ALA 56 1HB ALA 56 -4.997 -10.058 -2.693 450 HB2 ALA 56 2HB ALA 56 -4.984 -10.721 -4.328 451 HB3 ALA 56 3HB ALA 56 -5.393 -9.025 -4.068 452 H GLY 57 H GLY 57 -8.596 -10.971 -5.356 453 HA2 GLY 57 1HA GLY 57 -7.696 -13.260 -6.503 454 HA3 GLY 57 2HA GLY 57 -8.481 -13.836 -5.040 455 H LYS 58 H LYS 58 -10.544 -11.813 -5.033 456 HA LYS 58 HA LYS 58 -12.220 -12.933 -7.164 457 HB2 LYS 58 1HB LYS 58 -12.940 -13.157 -4.773 458 HB3 LYS 58 2HB LYS 58 -13.085 -11.406 -4.703 459 HG2 LYS 58 1HG LYS 58 -15.243 -11.942 -5.159 460 HG3 LYS 58 2HG LYS 58 -14.630 -11.805 -6.809 461 HD2 LYS 58 1HD LYS 58 -15.838 -13.816 -6.786 462 HD3 LYS 58 2HD LYS 58 -14.149 -14.309 -6.653 463 HE2 LYS 58 1HE LYS 58 -14.361 -14.736 -4.335 464 HE3 LYS 58 2HE LYS 58 -15.921 -13.918 -4.254 465 HZ1 LYS 58 1HZ LYS 58 -15.276 -16.578 -5.334 466 HZ2 LYS 58 2HZ LYS 58 -16.622 -15.742 -5.926 467 HZ3 LYS 58 3HZ LYS 58 -16.520 -16.123 -4.281 468 H HIS 59 H HIS 59 -12.286 -9.832 -5.414 469 HA HIS 59 HA HIS 59 -12.615 -8.486 -8.013 470 HB2 HIS 59 1HB HIS 59 -13.676 -7.797 -5.274 471 HB3 HIS 59 2HB HIS 59 -13.673 -6.643 -6.604 472 HD1 HIS 59 1HD HIS 59 -14.862 -7.852 -8.898 473 HD2 HIS 59 2HD HIS 59 -16.052 -9.047 -5.101 474 HE1 HIS 59 1HE HIS 59 -17.123 -8.910 -9.204 475 HE2 HIS 59 2HE HIS 59 -17.860 -9.549 -6.882 476 H LEU 60 H LEU 60 -10.269 -9.140 -5.957 477 HA LEU 60 HA LEU 60 -8.969 -6.531 -6.347 478 HB2 LEU 60 1HB LEU 60 -9.520 -6.571 -4.043 479 HB3 LEU 60 2HB LEU 60 -8.988 -8.243 -3.876 480 HG LEU 60 HG LEU 60 -6.657 -7.161 -4.567 481 HD11 LEU 60 1HD1 LEU 60 -6.885 -4.961 -2.949 482 HD12 LEU 60 2HD1 LEU 60 -8.369 -4.898 -3.898 483 HD13 LEU 60 3HD1 LEU 60 -6.804 -4.939 -4.711 484 HD21 LEU 60 1HD2 LEU 60 -7.053 -6.572 -1.784 485 HD22 LEU 60 2HD2 LEU 60 -6.148 -7.889 -2.532 486 HD23 LEU 60 3HD2 LEU 60 -7.873 -8.074 -2.213 487 H GLN 61 H GLN 61 -6.777 -6.579 -6.816 488 HA GLN 61 HA GLN 61 -5.394 -9.133 -6.901 489 HB2 GLN 61 1HB GLN 61 -5.992 -7.504 -9.370 490 HB3 GLN 61 2HB GLN 61 -4.735 -8.732 -9.307 491 HG2 GLN 61 1HG GLN 61 -7.584 -9.351 -8.612 492 HG3 GLN 61 2HG GLN 61 -6.995 -9.393 -10.273 493 HE21 GLN 61 1HE2 GLN 61 -7.414 -11.139 -7.464 494 HE22 GLN 61 2HE2 GLN 61 -6.400 -12.488 -7.834 495 H LEU 62 H LEU 62 -3.384 -8.840 -6.215 496 HA LEU 62 HA LEU 62 -2.282 -6.132 -6.185 497 HB2 LEU 62 1HB LEU 62 -1.110 -8.571 -4.878 498 HB3 LEU 62 2HB LEU 62 -0.787 -6.878 -4.510 499 HG LEU 62 HG LEU 62 -3.389 -8.309 -3.970 500 HD11 LEU 62 1HD1 LEU 62 -0.904 -8.164 -2.487 501 HD12 LEU 62 2HD1 LEU 62 -2.333 -9.158 -2.207 502 HD13 LEU 62 3HD1 LEU 62 -2.265 -7.514 -1.573 503 HD21 LEU 62 1HD2 LEU 62 -2.521 -5.649 -2.889 504 HD22 LEU 62 2HD2 LEU 62 -4.137 -6.354 -2.934 505 HD23 LEU 62 3HD2 LEU 62 -3.380 -5.786 -4.423 506 H LYS 63 H LYS 63 0.103 -5.931 -6.571 507 HA LYS 63 HA LYS 63 1.129 -7.832 -8.549 508 HB2 LYS 63 1HB LYS 63 -0.055 -5.572 -9.425 509 HB3 LYS 63 2HB LYS 63 1.577 -4.969 -9.169 510 HG2 LYS 63 1HG LYS 63 1.792 -5.647 -11.316 511 HG3 LYS 63 2HG LYS 63 2.190 -7.171 -10.519 512 HD2 LYS 63 1HD LYS 63 -0.054 -7.980 -10.833 513 HD3 LYS 63 2HD LYS 63 -0.574 -6.416 -11.465 514 HE2 LYS 63 1HE LYS 63 -0.266 -7.727 -13.373 515 HE3 LYS 63 2HE LYS 63 1.210 -6.768 -13.269 516 HZ1 LYS 63 1HZ LYS 63 1.613 -9.132 -13.762 517 HZ2 LYS 63 2HZ LYS 63 0.943 -9.550 -12.267 518 HZ3 LYS 63 3HZ LYS 63 2.362 -8.630 -12.330 519 H GLU 64 H GLU 64 3.395 -7.857 -8.754 520 HA GLU 64 HA GLU 64 4.983 -6.094 -7.087 521 HB2 GLU 64 1HB GLU 64 4.626 -7.629 -5.382 522 HB3 GLU 64 2HB GLU 64 4.562 -8.995 -6.485 523 HG2 GLU 64 1HG GLU 64 7.004 -8.708 -6.873 524 HG3 GLU 64 2HG GLU 64 7.006 -7.480 -5.609 525 H THR 65 H THR 65 6.875 -5.671 -8.032 526 HA THR 65 HA THR 65 8.088 -7.637 -9.820 527 HB THR 65 HB THR 65 6.637 -6.151 -11.224 528 HG1 THR 65 1HG THR 65 8.460 -5.616 -12.678 529 HG21 THR 65 1HG2 THR 65 7.749 -3.849 -11.652 530 HG22 THR 65 2HG2 THR 65 8.453 -4.074 -10.050 531 HG23 THR 65 3HG2 THR 65 6.701 -4.039 -10.247 532 H PHE 66 H PHE 66 10.316 -7.112 -10.382 533 HA PHE 66 HA PHE 66 11.573 -5.260 -8.469 534 HB2 PHE 66 1HB PHE 66 12.017 -7.462 -7.645 535 HB3 PHE 66 2HB PHE 66 12.449 -8.041 -9.250 536 HD1 PHE 66 1HD PHE 66 13.486 -5.347 -6.883 537 HD2 PHE 66 2HD PHE 66 14.679 -8.333 -9.671 538 HE1 PHE 66 1HE PHE 66 15.847 -4.822 -6.430 539 HE2 PHE 66 2HE PHE 66 17.042 -7.814 -9.222 540 HZ PHE 66 HZ PHE 66 17.629 -6.057 -7.599 541 H GLU 67 H GLU 67 13.394 -4.141 -9.171 542 HA GLU 67 HA GLU 67 14.061 -4.414 -12.024 543 HB2 GLU 67 1HB GLU 67 13.206 -1.993 -10.511 544 HB3 GLU 67 2HB GLU 67 14.432 -1.796 -11.755 545 HG2 GLU 67 1HG GLU 67 12.837 -2.989 -13.319 546 HG3 GLU 67 2HG GLU 67 11.615 -2.778 -12.067 547 H ARG 68 H ARG 68 15.976 -5.491 -11.607 548 HA ARG 68 HA ARG 68 17.868 -4.808 -9.666 549 HB2 ARG 68 1HB ARG 68 19.454 -5.918 -11.502 550 HB3 ARG 68 2HB ARG 68 18.346 -6.867 -10.520 551 HG2 ARG 68 1HG ARG 68 17.229 -5.812 -13.029 552 HG3 ARG 68 2HG ARG 68 18.501 -7.023 -13.200 553 HD2 ARG 68 1HD ARG 68 17.034 -8.210 -11.307 554 HD3 ARG 68 2HD ARG 68 15.765 -7.273 -12.095 555 HE ARG 68 HE ARG 68 17.289 -8.633 -14.036 556 HH11 ARG 68 2HH1 ARG 68 14.943 -9.220 -11.532 557 HH12 ARG 68 1HH1 ARG 68 14.291 -10.633 -12.294 558 HH21 ARG 68 2HH2 ARG 68 16.439 -10.492 -15.049 559 HH22 ARG 68 1HH2 ARG 68 15.143 -11.356 -14.294 560 H HIS 69 H HIS 69 17.320 -3.563 -12.894 561 HA HIS 69 HA HIS 69 19.597 -2.315 -13.603 562 HB2 HIS 69 1HB HIS 69 16.912 -0.924 -13.619 563 HB3 HIS 69 2HB HIS 69 18.277 -0.596 -14.682 564 HD1 HIS 69 1HD HIS 69 15.368 -2.837 -14.241 565 HD2 HIS 69 2HD HIS 69 18.714 -2.571 -16.689 566 HE1 HIS 69 1HE HIS 69 14.930 -4.413 -16.150 567 HE2 HIS 69 2HE HIS 69 17.005 -4.300 -17.574 568 H SER 70 H SER 70 17.351 -1.166 -11.117 569 HA SER 70 HA SER 70 19.454 0.681 -10.195 570 HB2 SER 70 1HB SER 70 17.771 2.272 -9.532 571 HB3 SER 70 2HB SER 70 17.469 1.836 -11.213 572 HG SER 70 HG SER 70 16.053 0.134 -10.010 573 H ARG 71 H ARG 71 17.982 -2.115 -9.505 574 HA ARG 71 HA ARG 71 17.760 -3.393 -7.637 575 HB2 ARG 71 1HB ARG 71 19.440 -1.198 -6.413 576 HB3 ARG 71 2HB ARG 71 19.067 -2.725 -5.626 577 HG2 ARG 71 1HG ARG 71 20.102 -3.729 -7.828 578 HG3 ARG 71 2HG ARG 71 20.896 -2.154 -7.895 579 HD2 ARG 71 1HD ARG 71 21.398 -2.703 -5.358 580 HD3 ARG 71 2HD ARG 71 21.201 -4.361 -5.925 581 HE ARG 71 HE ARG 71 23.200 -4.186 -7.028 582 HH11 ARG 71 2HH1 ARG 71 22.105 -1.006 -6.129 583 HH12 ARG 71 1HH1 ARG 71 23.581 -0.225 -6.591 584 HH21 ARG 71 2HH2 ARG 71 25.148 -3.169 -7.641 585 HH22 ARG 71 1HH2 ARG 71 25.311 -1.456 -7.452 586 H VAL 72 H VAL 72 15.623 -1.758 -8.242 587 HA VAL 72 HA VAL 72 14.612 -1.080 -5.559 588 HB VAL 72 HB VAL 72 14.099 0.396 -8.141 589 HG11 VAL 72 1HG1 VAL 72 12.042 0.738 -7.321 590 HG12 VAL 72 2HG1 VAL 72 12.485 0.171 -5.710 591 HG13 VAL 72 3HG1 VAL 72 12.839 1.831 -6.190 592 HG21 VAL 72 1HG2 VAL 72 15.051 2.296 -6.992 593 HG22 VAL 72 2HG2 VAL 72 15.229 1.354 -5.512 594 HG23 VAL 72 3HG2 VAL 72 16.187 0.948 -6.937 595 H TYR 73 H TYR 73 12.610 -1.816 -5.038 596 HA TYR 73 HA TYR 73 11.361 -3.643 -6.956 597 HB2 TYR 73 1HB TYR 73 11.187 -3.358 -3.963 598 HB3 TYR 73 2HB TYR 73 10.034 -4.335 -4.866 599 HD1 TYR 73 2HD TYR 73 13.530 -4.036 -3.789 600 HD2 TYR 73 1HD TYR 73 10.691 -6.439 -5.855 601 HE1 TYR 73 2HE TYR 73 15.098 -5.930 -3.730 602 HE2 TYR 73 1HE TYR 73 12.251 -8.340 -5.800 603 HH TYR 73 HH TYR 73 14.177 -9.102 -4.452 604 H THR 74 H THR 74 9.193 -3.528 -7.507 605 HA THR 74 HA THR 74 7.774 -1.077 -6.696 606 HB THR 74 HB THR 74 7.611 -2.270 -9.464 607 HG1 THR 74 1HG THR 74 8.948 0.146 -8.962 608 HG21 THR 74 1HG2 THR 74 6.378 0.019 -8.058 609 HG22 THR 74 2HG2 THR 74 5.758 -0.966 -9.384 610 HG23 THR 74 3HG2 THR 74 6.919 0.321 -9.708 611 H PHE 75 H PHE 75 6.152 -1.765 -5.448 612 HA PHE 75 HA PHE 75 4.642 -4.144 -6.298 613 HB2 PHE 75 1HB PHE 75 4.519 -2.901 -3.557 614 HB3 PHE 75 2HB PHE 75 4.053 -4.528 -4.041 615 HD1 PHE 75 1HD PHE 75 5.789 -6.209 -4.547 616 HD2 PHE 75 2HD PHE 75 6.755 -2.374 -2.975 617 HE1 PHE 75 1HE PHE 75 8.013 -7.039 -3.900 618 HE2 PHE 75 2HE PHE 75 8.981 -3.197 -2.326 619 HZ PHE 75 HZ PHE 75 9.613 -5.532 -2.789 620 H GLU 76 H GLU 76 2.656 -3.863 -7.060 621 HA GLU 76 HA GLU 76 1.297 -1.309 -6.504 622 HB2 GLU 76 1HB GLU 76 0.872 -3.115 -8.888 623 HB3 GLU 76 2HB GLU 76 0.193 -1.512 -8.642 624 HG2 GLU 76 1HG GLU 76 2.154 -0.448 -9.140 625 HG3 GLU 76 2HG GLU 76 3.149 -1.816 -8.644 626 H MET 77 H MET 77 -1.120 -1.443 -6.609 627 HA MET 77 HA MET 77 -2.145 -4.036 -5.691 628 HB2 MET 77 1HB MET 77 -1.748 -2.791 -3.669 629 HB3 MET 77 2HB MET 77 -2.547 -1.370 -4.329 630 HG2 MET 77 1HG MET 77 -4.661 -2.301 -4.112 631 HG3 MET 77 2HG MET 77 -4.032 -3.944 -4.010 632 HE1 MET 77 1HE MET 77 -5.317 -0.906 -1.903 633 HE2 MET 77 2HE MET 77 -4.068 -0.801 -0.662 634 HE3 MET 77 3HE MET 77 -3.664 -0.485 -2.350 635 H GLN 78 H GLN 78 -3.391 -4.492 -7.430 636 HA GLN 78 HA GLN 78 -5.051 -2.459 -8.650 637 HB2 GLN 78 1HB GLN 78 -3.828 -4.665 -9.649 638 HB3 GLN 78 2HB GLN 78 -5.454 -5.285 -9.401 639 HG2 GLN 78 1HG GLN 78 -6.366 -3.502 -10.774 640 HG3 GLN 78 2HG GLN 78 -4.751 -2.830 -10.992 641 HE21 GLN 78 1HE2 GLN 78 -3.230 -4.987 -11.497 642 HE22 GLN 78 2HE2 GLN 78 -3.742 -5.771 -12.949 643 H ILE 79 H ILE 79 -7.175 -2.148 -8.333 644 HA ILE 79 HA ILE 79 -8.608 -4.085 -6.636 645 HB ILE 79 HB ILE 79 -8.889 -1.078 -6.595 646 HG12 ILE 79 1HG1 ILE 79 -7.455 -3.053 -4.891 647 HG13 ILE 79 2HG1 ILE 79 -7.022 -1.396 -5.300 648 HG21 ILE 79 1HG2 ILE 79 -10.210 -2.859 -4.614 649 HG22 ILE 79 2HG2 ILE 79 -10.692 -1.269 -5.203 650 HG23 ILE 79 3HG2 ILE 79 -10.937 -2.694 -6.213 651 HD11 ILE 79 1HD1 ILE 79 -7.541 -1.073 -3.131 652 HD12 ILE 79 2HD1 ILE 79 -9.168 -0.913 -3.793 653 HD13 ILE 79 3HD1 ILE 79 -8.653 -2.440 -3.077 654 H ILE 80 H ILE 80 -9.893 -5.121 -8.048 655 HA ILE 80 HA ILE 80 -11.232 -3.658 -10.175 656 HB ILE 80 HB ILE 80 -11.682 -6.564 -9.594 657 HG12 ILE 80 1HG1 ILE 80 -9.706 -6.708 -11.402 658 HG13 ILE 80 2HG1 ILE 80 -9.194 -5.252 -10.557 659 HG21 ILE 80 1HG2 ILE 80 -11.359 -5.967 -12.339 660 HG22 ILE 80 2HG2 ILE 80 -12.829 -6.434 -11.487 661 HG23 ILE 80 3HG2 ILE 80 -12.406 -4.730 -11.646 662 HD11 ILE 80 1HD1 ILE 80 -8.184 -6.612 -9.127 663 HD12 ILE 80 2HD1 ILE 80 -9.793 -7.006 -8.519 664 HD13 ILE 80 3HD1 ILE 80 -9.040 -8.025 -9.746 665 H LYS 81 H LYS 81 -13.468 -3.512 -10.419 666 HA LYS 81 HA LYS 81 -15.539 -2.962 -9.613 667 HB2 LYS 81 1HB LYS 81 -15.248 -5.698 -8.358 668 HB3 LYS 81 2HB LYS 81 -16.763 -4.859 -8.668 669 HG2 LYS 81 1HG LYS 81 -15.864 -4.844 -11.140 670 HG3 LYS 81 2HG LYS 81 -14.923 -6.221 -10.562 671 HD2 LYS 81 1HD LYS 81 -17.275 -6.957 -9.597 672 HD3 LYS 81 2HD LYS 81 -17.864 -5.931 -10.907 673 HE2 LYS 81 1HE LYS 81 -16.512 -7.218 -12.502 674 HE3 LYS 81 2HE LYS 81 -15.956 -8.252 -11.187 675 HZ1 LYS 81 1HZ LYS 81 -17.872 -9.097 -12.583 676 HZ2 LYS 81 2HZ LYS 81 -18.829 -7.933 -11.815 677 HZ3 LYS 81 3HZ LYS 81 -18.082 -9.148 -10.905 678 H ALA 82 H ALA 82 -13.794 -1.625 -8.115 679 HA ALA 82 HA ALA 82 -13.602 -2.079 -5.404 680 HB1 ALA 82 1HB ALA 82 -13.637 0.515 -5.276 681 HB2 ALA 82 2HB ALA 82 -12.342 -0.295 -6.157 682 HB3 ALA 82 3HB ALA 82 -13.691 0.423 -7.036 683 H LYS 83 H LYS 83 -15.249 -2.687 -4.143 684 HA LYS 83 HA LYS 83 -17.918 -1.671 -4.514 685 HB2 LYS 83 1HB LYS 83 -16.967 -3.275 -2.151 686 HB3 LYS 83 2HB LYS 83 -18.581 -3.206 -2.845 687 HG2 LYS 83 1HG LYS 83 -17.909 -4.476 -4.739 688 HG3 LYS 83 2HG LYS 83 -16.206 -4.356 -4.289 689 HD2 LYS 83 1HD LYS 83 -16.984 -5.527 -2.097 690 HD3 LYS 83 2HD LYS 83 -18.384 -6.001 -3.061 691 HE2 LYS 83 1HE LYS 83 -16.908 -7.039 -4.704 692 HE3 LYS 83 2HE LYS 83 -15.500 -6.540 -3.768 693 HZ1 LYS 83 1HZ LYS 83 -16.467 -7.880 -1.898 694 HZ2 LYS 83 2HZ LYS 83 -15.916 -8.778 -3.221 695 HZ3 LYS 83 3HZ LYS 83 -17.573 -8.515 -3.009 696 H ASP 84 H ASP 84 -19.153 -0.637 -2.801 697 HA ASP 84 HA ASP 84 -17.975 1.691 -1.838 698 HB2 ASP 84 1HB ASP 84 -20.514 0.237 -1.180 699 HB3 ASP 84 2HB ASP 84 -20.043 1.647 -0.234 700 H ASN 85 H ASN 85 -17.809 -1.483 -0.611 701 HA ASN 85 HA ASN 85 -17.314 -0.756 2.131 702 HB2 ASN 85 1HB ASN 85 -16.894 -3.370 0.666 703 HB3 ASN 85 2HB ASN 85 -16.737 -3.152 2.407 704 HD21 ASN 85 1HD2 ASN 85 -18.697 -2.214 3.483 705 HD22 ASN 85 2HD2 ASN 85 -20.235 -2.796 2.953 706 H PHE 86 H PHE 86 -15.467 -1.036 -0.751 707 HA PHE 86 HA PHE 86 -12.932 -1.588 0.371 708 HB2 PHE 86 1HB PHE 86 -13.817 -0.329 -2.216 709 HB3 PHE 86 2HB PHE 86 -12.112 -0.474 -1.803 710 HD1 PHE 86 2HD PHE 86 -15.062 -2.743 -1.498 711 HD2 PHE 86 1HD PHE 86 -11.111 -2.166 -2.973 712 HE1 PHE 86 2HE PHE 86 -15.052 -5.046 -2.364 713 HE2 PHE 86 1HE PHE 86 -11.096 -4.468 -3.842 714 HZ PHE 86 HZ PHE 86 -13.067 -5.912 -3.537 715 H ALA 87 H ALA 87 -14.898 1.043 0.787 716 HA ALA 87 HA ALA 87 -12.819 3.061 0.874 717 HB1 ALA 87 1HB ALA 87 -14.520 4.456 0.601 718 HB2 ALA 87 2HB ALA 87 -15.627 3.083 0.632 719 HB3 ALA 87 3HB ALA 87 -15.232 3.931 2.127 720 H GLY 88 H GLY 88 -11.644 3.581 2.607 721 HA2 GLY 88 1HA GLY 88 -12.423 3.780 5.226 722 HA3 GLY 88 2HA GLY 88 -11.943 2.100 5.044 723 H ASN 89 H ASN 89 -10.188 2.283 6.433 724 HA ASN 89 HA ASN 89 -8.035 4.095 5.584 725 HB2 ASN 89 1HB ASN 89 -8.744 4.351 7.917 726 HB3 ASN 89 2HB ASN 89 -8.423 2.645 8.212 727 HD21 ASN 89 1HD2 ASN 89 -6.643 5.247 6.581 728 HD22 ASN 89 2HD2 ASN 89 -5.184 5.044 7.484 729 H TYR 90 H TYR 90 -6.430 3.243 4.454 730 HA TYR 90 HA TYR 90 -6.001 0.347 4.541 731 HB2 TYR 90 1HB TYR 90 -5.226 2.488 2.569 732 HB3 TYR 90 2HB TYR 90 -4.512 0.880 2.515 733 HD1 TYR 90 2HD TYR 90 -7.966 2.264 2.937 734 HD2 TYR 90 1HD TYR 90 -5.426 -0.472 0.897 735 HE1 TYR 90 2HE TYR 90 -9.890 1.460 1.632 736 HE2 TYR 90 1HE TYR 90 -7.342 -1.283 -0.415 737 HH TYR 90 HH TYR 90 -10.481 -0.746 0.393 738 H ARG 91 H ARG 91 -3.821 -0.495 4.607 739 HA ARG 91 HA ARG 91 -1.723 1.258 5.576 740 HB2 ARG 91 1HB ARG 91 -3.165 0.487 7.560 741 HB3 ARG 91 2HB ARG 91 -2.482 -1.108 7.275 742 HG2 ARG 91 1HG ARG 91 -0.318 -0.406 7.828 743 HG3 ARG 91 2HG ARG 91 -0.744 1.301 7.681 744 HD2 ARG 91 1HD ARG 91 -1.713 -0.616 9.798 745 HD3 ARG 91 2HD ARG 91 -0.535 0.677 10.017 746 HE ARG 91 HE ARG 91 -2.889 1.804 9.024 747 HH11 ARG 91 2HH1 ARG 91 -1.730 0.204 11.890 748 HH12 ARG 91 1HH1 ARG 91 -2.836 1.016 12.948 749 HH21 ARG 91 2HH2 ARG 91 -4.350 2.880 10.406 750 HH22 ARG 91 1HH2 ARG 91 -4.326 2.537 12.103 751 H CYS 92 H CYS 92 0.164 0.631 4.755 752 HA CYS 92 HA CYS 92 0.396 -2.135 3.771 753 HB2 CYS 92 1HB CYS 92 1.771 -1.370 2.008 754 HB3 CYS 92 2HB CYS 92 0.451 -0.210 2.095 755 HG CYS 92 HG CYS 92 3.106 0.905 1.578 756 H GLU 93 H GLU 93 2.303 -3.281 4.120 757 HA GLU 93 HA GLU 93 4.195 -2.075 6.025 758 HB2 GLU 93 1HB GLU 93 2.866 -4.772 6.141 759 HB3 GLU 93 2HB GLU 93 4.382 -4.458 6.975 760 HG2 GLU 93 1HG GLU 93 3.223 -2.540 8.120 761 HG3 GLU 93 2HG GLU 93 1.717 -3.155 7.443 762 H VAL 94 H VAL 94 6.186 -2.046 5.241 763 HA VAL 94 HA VAL 94 6.961 -4.111 3.283 764 HB VAL 94 HB VAL 94 6.863 -1.880 2.276 765 HG11 VAL 94 1HG1 VAL 94 7.566 -0.040 3.308 766 HG12 VAL 94 2HG1 VAL 94 7.887 -1.033 4.731 767 HG13 VAL 94 3HG1 VAL 94 9.170 -0.727 3.561 768 HG21 VAL 94 1HG2 VAL 94 8.452 -2.856 1.040 769 HG22 VAL 94 2HG2 VAL 94 9.584 -1.845 1.936 770 HG23 VAL 94 3HG2 VAL 94 9.283 -3.503 2.454 771 H THR 95 H THR 95 8.158 -5.575 4.323 772 HA THR 95 HA THR 95 10.034 -4.705 6.395 773 HB THR 95 HB THR 95 10.320 -7.204 6.762 774 HG1 THR 95 1HG THR 95 9.062 -8.567 5.662 775 HG21 THR 95 1HG2 THR 95 8.925 -5.841 8.224 776 HG22 THR 95 2HG2 THR 95 8.185 -7.422 7.967 777 HG23 THR 95 3HG2 THR 95 7.568 -6.009 7.110 778 H TYR 96 H TYR 96 12.219 -5.536 6.412 779 HA TYR 96 HA TYR 96 13.312 -6.658 3.992 780 HB2 TYR 96 1HB TYR 96 13.089 -4.127 3.620 781 HB3 TYR 96 2HB TYR 96 14.367 -3.959 4.819 782 HD1 TYR 96 2HD TYR 96 13.959 -6.485 2.108 783 HD2 TYR 96 1HD TYR 96 16.232 -3.228 3.635 784 HE1 TYR 96 2HE TYR 96 15.645 -6.847 0.354 785 HE2 TYR 96 1HE TYR 96 17.923 -3.580 1.884 786 HH TYR 96 HH TYR 96 18.496 -4.745 0.084 787 H LYS 97 H LYS 97 15.866 -6.542 4.216 788 HA LYS 97 HA LYS 97 16.769 -8.224 6.061 789 HB2 LYS 97 1HB LYS 97 18.244 -5.718 5.232 790 HB3 LYS 97 2HB LYS 97 18.987 -7.137 5.957 791 HG2 LYS 97 1HG LYS 97 18.777 -8.393 4.055 792 HG3 LYS 97 2HG LYS 97 17.392 -7.470 3.467 793 HD2 LYS 97 1HD LYS 97 18.987 -6.671 2.048 794 HD3 LYS 97 2HD LYS 97 19.204 -5.532 3.379 795 HE2 LYS 97 1HE LYS 97 21.010 -6.963 4.264 796 HE3 LYS 97 2HE LYS 97 20.817 -8.031 2.875 797 HZ1 LYS 97 1HZ LYS 97 21.117 -5.420 1.927 798 HZ2 LYS 97 2HZ LYS 97 22.174 -6.727 1.739 799 HZ3 LYS 97 3HZ LYS 97 22.340 -5.689 3.065 800 H ASP 98 H ASP 98 17.406 -4.785 6.706 801 HA ASP 98 HA ASP 98 16.565 -5.205 9.489 802 HB2 ASP 98 1HB ASP 98 19.132 -3.878 8.593 803 HB3 ASP 98 2HB ASP 98 18.521 -3.867 10.246 804 H LYS 99 H LYS 99 15.413 -3.852 7.082 805 HA LYS 99 HA LYS 99 14.897 -1.275 8.379 806 HB2 LYS 99 1HB LYS 99 15.364 -1.546 5.407 807 HB3 LYS 99 2HB LYS 99 15.071 -0.061 6.303 808 HG2 LYS 99 1HG LYS 99 17.192 -0.151 7.335 809 HG3 LYS 99 2HG LYS 99 17.460 -1.812 6.803 810 HD2 LYS 99 1HD LYS 99 17.256 -0.844 4.420 811 HD3 LYS 99 2HD LYS 99 17.520 0.719 5.195 812 HE2 LYS 99 1HE LYS 99 19.661 0.114 5.933 813 HE3 LYS 99 2HE LYS 99 19.362 -1.603 5.669 814 HZ1 LYS 99 1HZ LYS 99 19.539 -1.342 3.363 815 HZ2 LYS 99 2HZ LYS 99 20.816 -0.428 3.991 816 HZ3 LYS 99 3HZ LYS 99 19.415 0.343 3.440 817 H PHE 100 H PHE 100 12.800 -1.296 8.834 818 HA PHE 100 HA PHE 100 10.938 -2.314 6.791 819 HB2 PHE 100 1HB PHE 100 10.643 -3.923 8.414 820 HB3 PHE 100 2HB PHE 100 11.050 -2.824 9.728 821 HD1 PHE 100 1HD PHE 100 8.398 -3.671 7.286 822 HD2 PHE 100 2HD PHE 100 9.377 -1.746 10.953 823 HE1 PHE 100 1HE PHE 100 6.003 -3.358 7.756 824 HE2 PHE 100 2HE PHE 100 6.984 -1.430 11.430 825 HZ PHE 100 HZ PHE 100 5.294 -2.237 9.831 826 H ASP 101 H ASP 101 9.164 -1.094 6.339 827 HA ASP 101 HA ASP 101 8.766 1.361 7.913 828 HB2 ASP 101 1HB ASP 101 8.823 1.120 4.899 829 HB3 ASP 101 2HB ASP 101 8.264 2.547 5.767 830 H SER 102 H SER 102 6.623 2.286 7.745 831 HA SER 102 HA SER 102 4.546 0.530 6.679 832 HB2 SER 102 1HB SER 102 3.271 0.680 8.826 833 HB3 SER 102 2HB SER 102 4.762 -0.252 8.958 834 HG SER 102 HG SER 102 5.120 2.406 9.470 835 H CYS 103 H CYS 103 3.129 1.704 5.583 836 HA CYS 103 HA CYS 103 2.688 4.501 6.396 837 HB2 CYS 103 1HB CYS 103 2.732 3.426 3.568 838 HB3 CYS 103 2HB CYS 103 2.423 5.094 4.034 839 HG CYS 103 HG CYS 103 5.380 3.402 4.329 840 H SER 104 H SER 104 0.591 5.392 5.668 841 HA SER 104 HA SER 104 -1.492 3.372 5.266 842 HB2 SER 104 1HB SER 104 -2.886 4.351 7.033 843 HB3 SER 104 2HB SER 104 -1.363 3.760 7.696 844 HG SER 104 HG SER 104 -1.460 6.418 6.863 845 H PHE 105 H PHE 105 -3.191 4.040 4.038 846 HA PHE 105 HA PHE 105 -3.315 6.880 3.295 847 HB2 PHE 105 1HB PHE 105 -4.000 5.807 0.946 848 HB3 PHE 105 2HB PHE 105 -2.329 6.185 1.352 849 HD1 PHE 105 1HD PHE 105 -1.084 4.211 2.641 850 HD2 PHE 105 2HD PHE 105 -4.435 3.743 0.059 851 HE1 PHE 105 1HE PHE 105 -0.461 1.861 2.264 852 HE2 PHE 105 2HE PHE 105 -3.818 1.392 -0.321 853 HZ PHE 105 HZ PHE 105 -1.829 0.448 0.783 854 H ASP 106 H ASP 106 -5.385 7.477 2.263 855 HA ASP 106 HA ASP 106 -7.591 5.872 3.375 856 HB2 ASP 106 1HB ASP 106 -8.765 7.813 3.862 857 HB3 ASP 106 2HB ASP 106 -7.105 8.317 4.165 858 H LEU 107 H LEU 107 -8.941 4.948 1.987 859 HA LEU 107 HA LEU 107 -8.950 5.901 -0.798 860 HB2 LEU 107 1HB LEU 107 -8.123 3.622 -0.505 861 HB3 LEU 107 2HB LEU 107 -9.622 3.177 0.307 862 HG LEU 107 HG LEU 107 -9.410 2.405 -2.070 863 HD11 LEU 107 1HD1 LEU 107 -11.736 4.258 -1.897 864 HD12 LEU 107 2HD1 LEU 107 -11.578 2.962 -0.713 865 HD13 LEU 107 3HD1 LEU 107 -11.667 2.579 -2.432 866 HD21 LEU 107 1HD2 LEU 107 -9.813 5.328 -2.691 867 HD22 LEU 107 2HD2 LEU 107 -9.740 4.001 -3.851 868 HD23 LEU 107 3HD2 LEU 107 -8.305 4.443 -2.924 869 H GLU 108 H GLU 108 -10.779 6.677 -1.639 870 HA GLU 108 HA GLU 108 -13.245 6.392 -0.057 871 HB2 GLU 108 1HB GLU 108 -12.162 8.594 -1.768 872 HB3 GLU 108 2HB GLU 108 -13.903 8.434 -1.580 873 HG2 GLU 108 1HG GLU 108 -13.648 8.592 0.850 874 HG3 GLU 108 2HG GLU 108 -11.907 8.782 0.646 875 H VAL 109 H VAL 109 -15.227 6.023 -1.131 876 HA VAL 109 HA VAL 109 -14.996 5.043 -3.898 877 HB VAL 109 HB VAL 109 -16.615 3.694 -1.734 878 HG11 VAL 109 1HG1 VAL 109 -17.710 2.813 -3.460 879 HG12 VAL 109 2HG1 VAL 109 -16.578 3.510 -4.621 880 HG13 VAL 109 3HG1 VAL 109 -16.222 1.958 -3.863 881 HG21 VAL 109 1HG2 VAL 109 -14.195 2.513 -3.045 882 HG22 VAL 109 2HG2 VAL 109 -14.036 3.548 -1.626 883 HG23 VAL 109 3HG2 VAL 109 -14.976 2.059 -1.529 884 H HIS 110 H HIS 110 -16.302 6.159 -5.175 885 HA HIS 110 HA HIS 110 -18.709 7.391 -4.030 886 HB2 HIS 110 1HB HIS 110 -17.137 8.013 -6.533 887 HB3 HIS 110 2HB HIS 110 -18.674 8.775 -6.136 888 HD1 HIS 110 1HD HIS 110 -17.365 11.064 -6.091 889 HD2 HIS 110 2HD HIS 110 -16.262 8.335 -3.159 890 HE1 HIS 110 1HE HIS 110 -16.055 12.387 -4.401 891 HE2 HIS 110 2HE HIS 110 -15.326 10.699 -2.680 892 H GLU 111 H GLU 111 -20.728 7.109 -4.950 893 HA GLU 111 HA GLU 111 -21.253 4.605 -6.128 894 HB2 GLU 111 1HB GLU 111 -23.008 7.062 -5.969 895 HB3 GLU 111 2HB GLU 111 -23.564 5.451 -6.400 896 HG2 GLU 111 1HG GLU 111 -22.498 4.809 -4.093 897 HG3 GLU 111 2HG GLU 111 -22.724 6.525 -3.758 898 H SER 112 H SER 112 -21.331 3.947 -8.182 899 HA SER 112 HA SER 112 -20.544 5.782 -10.267 900 HB2 SER 112 1HB SER 112 -19.682 3.423 -10.084 901 HB3 SER 112 2HB SER 112 -21.290 2.864 -10.546 902 HG SER 112 HG SER 112 -19.559 3.227 -12.242 903 H THR 113 H THR 113 -23.298 5.743 -8.890 904 HA THR 113 HA THR 113 -24.930 5.583 -11.339 905 HB THR 113 HB THR 113 -26.889 5.317 -9.910 906 HG1 THR 113 1HG THR 113 -25.188 5.089 -7.659 907 HG21 THR 113 1HG2 THR 113 -25.684 3.202 -8.570 908 HG22 THR 113 2HG2 THR 113 -24.672 3.448 -9.993 909 HG23 THR 113 3HG2 THR 113 -26.400 3.153 -10.181 910 H GLY 114 H GLY 114 -26.075 7.333 -12.013 911 HA2 GLY 114 1HA GLY 114 -27.253 9.412 -11.219 912 HA3 GLY 114 2HA GLY 114 -25.734 9.801 -10.425 913 H THR 115 H THR 115 -27.300 11.210 -12.531 914 HA THR 115 HA THR 115 -25.493 11.101 -14.822 915 HB THR 115 HB THR 115 -27.075 12.721 -15.860 916 HG1 THR 115 1HG THR 115 -28.581 12.273 -13.478 917 HG21 THR 115 1HG2 THR 115 -28.542 11.085 -16.509 918 HG22 THR 115 2HG2 THR 115 -28.778 10.491 -14.865 919 HG23 THR 115 3HG2 THR 115 -27.306 10.085 -15.747 920 H THR 116 H THR 116 -24.604 13.088 -15.716 921 HA THR 116 HA THR 116 -23.125 14.560 -13.866 922 HB THR 116 HB THR 116 -22.595 16.093 -15.749 923 HG1 THR 116 1HG THR 116 -23.533 15.522 -17.810 924 HG21 THR 116 1HG2 THR 116 -21.366 13.979 -15.455 925 HG22 THR 116 2HG2 THR 116 -21.500 14.431 -17.155 926 HG23 THR 116 3HG2 THR 116 -22.536 13.166 -16.494 927 HA PRO 117 HA PRO 117 -25.958 17.604 -12.403 928 HB2 PRO 117 1HB PRO 117 -24.161 19.440 -11.523 929 HB3 PRO 117 2HB PRO 117 -24.480 17.923 -10.673 930 HG2 PRO 117 1HG PRO 117 -22.243 18.615 -12.538 931 HG3 PRO 117 2HG PRO 117 -22.186 17.728 -11.004 932 HD2 PRO 117 1HD PRO 117 -22.146 16.483 -13.408 933 HD3 PRO 117 2HD PRO 117 -22.895 15.760 -11.970 934 H ASN 118 H ASN 118 -27.025 18.476 -14.138 935 HA ASN 118 HA ASN 118 -26.017 19.855 -16.287 936 HB2 ASN 118 1HB ASN 118 -28.626 20.433 -14.866 937 HB3 ASN 118 2HB ASN 118 -28.235 20.867 -16.528 938 HD21 ASN 118 1HD2 ASN 118 -28.879 19.522 -18.042 939 HD22 ASN 118 2HD2 ASN 118 -29.289 17.858 -17.817 940 H ILE 119 H ILE 119 -25.871 22.099 -16.807 941 HA ILE 119 HA ILE 119 -25.343 23.808 -14.463 942 HB ILE 119 HB ILE 119 -23.967 23.894 -17.151 943 HG12 ILE 119 1HG1 ILE 119 -22.596 23.323 -14.551 944 HG13 ILE 119 2HG1 ILE 119 -23.463 22.026 -15.366 945 HG21 ILE 119 1HG2 ILE 119 -23.632 26.038 -16.600 946 HG22 ILE 119 2HG2 ILE 119 -24.122 25.782 -14.926 947 HG23 ILE 119 3HG2 ILE 119 -22.476 25.402 -15.431 948 HD11 ILE 119 1HD1 ILE 119 -21.310 23.675 -16.662 949 HD12 ILE 119 2HD1 ILE 119 -21.032 22.126 -15.866 950 HD13 ILE 119 3HD1 ILE 119 -22.069 22.213 -17.289 951 H ASP 120 H ASP 120 -26.114 25.880 -14.463 952 HA ASP 120 HA ASP 120 -28.454 26.512 -15.742 953 HB2 ASP 120 1HB ASP 120 -27.829 28.935 -15.253 954 HB3 ASP 120 2HB ASP 120 -27.829 27.832 -13.880 955 H SER 121 H SER 121 -28.751 26.415 -17.881 956 HA SER 121 HA SER 121 -27.053 28.113 -19.571 957 HB2 SER 121 1HB SER 121 -27.654 25.201 -19.925 958 HB3 SER 121 2HB SER 121 -27.466 26.217 -21.355 959 HG SER 121 HG SER 121 -25.576 25.908 -19.257 960 H GLY 122 H GLY 122 -28.069 28.717 -21.618 961 HA2 GLY 122 1HA GLY 122 -30.955 29.068 -21.246 962 HA3 GLY 122 2HA GLY 122 -29.930 30.007 -22.321 963 HA PRO 123 HA PRO 123 -31.807 25.992 -24.322 964 HB2 PRO 123 1HB PRO 123 -34.468 26.487 -24.527 965 HB3 PRO 123 2HB PRO 123 -33.757 25.608 -23.169 966 HG2 PRO 123 1HG PRO 123 -34.580 28.481 -23.342 967 HG3 PRO 123 2HG PRO 123 -34.831 27.323 -22.023 968 HD2 PRO 123 1HD PRO 123 -32.863 29.182 -21.975 969 HD3 PRO 123 2HD PRO 123 -32.688 27.587 -21.215 970 H SER 124 H SER 124 -31.472 26.141 -26.442 971 HA SER 124 HA SER 124 -31.524 28.601 -27.835 972 HB2 SER 124 1HB SER 124 -31.013 27.260 -29.828 973 HB3 SER 124 2HB SER 124 -30.024 26.751 -28.460 974 HG SER 124 HG SER 124 -31.596 25.253 -29.934 975 H SER 125 H SER 125 -33.715 25.820 -27.798 976 HA SER 125 HA SER 125 -35.694 27.465 -29.236 977 HB2 SER 125 1HB SER 125 -35.160 25.689 -30.707 978 HB3 SER 125 2HB SER 125 -35.133 24.506 -29.399 979 HG SER 125 HG SER 125 -37.109 24.875 -30.936 980 H GLY 126 H GLY 126 -37.156 28.172 -27.825 981 HA2 GLY 126 1HA GLY 126 -37.822 26.558 -25.483 982 HA3 GLY 126 2HA GLY 126 -38.291 28.228 -25.763 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 3.547 19.578 13.510 2 HA2 GLY 1 1HA GLY 1 3.637 18.030 16.003 3 HA3 GLY 1 2HA GLY 1 3.683 17.364 14.377 4 H SER 2 H SER 2 5.465 16.606 16.400 5 HA SER 2 HA SER 2 7.952 18.017 16.033 6 HB2 SER 2 1HB SER 2 8.878 16.483 17.604 7 HB3 SER 2 2HB SER 2 7.242 16.825 18.165 8 HG SER 2 HG SER 2 6.574 14.858 17.330 9 H SER 3 H SER 3 9.934 16.861 15.341 10 HA SER 3 HA SER 3 9.590 14.616 13.547 11 HB2 SER 3 1HB SER 3 10.506 17.303 12.494 12 HB3 SER 3 2HB SER 3 10.540 15.789 11.590 13 HG SER 3 HG SER 3 8.542 16.155 11.101 14 H GLY 4 H GLY 4 11.704 13.923 12.603 15 HA2 GLY 4 1HA GLY 4 14.194 14.868 13.274 16 HA3 GLY 4 2HA GLY 4 13.694 13.911 14.661 17 H SER 5 H SER 5 12.514 11.751 13.711 18 HA SER 5 HA SER 5 14.478 10.013 12.999 19 HB2 SER 5 1HB SER 5 12.327 9.182 13.682 20 HB3 SER 5 2HB SER 5 11.542 9.905 12.278 21 HG SER 5 HG SER 5 13.619 8.064 11.882 22 H SER 6 H SER 6 15.822 9.968 11.336 23 HA SER 6 HA SER 6 14.776 10.558 8.653 24 HB2 SER 6 1HB SER 6 16.806 11.785 8.091 25 HB3 SER 6 2HB SER 6 16.036 12.523 9.495 26 HG SER 6 HG SER 6 17.716 10.661 10.363 27 H GLY 7 H GLY 7 15.053 8.870 7.363 28 HA2 GLY 7 1HA GLY 7 16.971 7.548 6.330 29 HA3 GLY 7 2HA GLY 7 17.244 6.990 7.974 30 H ILE 8 H ILE 8 15.468 6.550 5.089 31 HA ILE 8 HA ILE 8 14.264 4.142 6.191 32 HB ILE 8 HB ILE 8 12.058 4.706 5.097 33 HG12 ILE 8 1HG1 ILE 8 11.754 7.336 5.162 34 HG13 ILE 8 2HG1 ILE 8 13.483 7.320 4.835 35 HG21 ILE 8 1HG2 ILE 8 11.202 5.582 7.056 36 HG22 ILE 8 2HG2 ILE 8 12.730 4.891 7.599 37 HG23 ILE 8 3HG2 ILE 8 12.598 6.627 7.321 38 HD11 ILE 8 1HD1 ILE 8 11.343 7.016 3.021 39 HD12 ILE 8 2HD1 ILE 8 13.076 6.989 2.692 40 HD13 ILE 8 3HD1 ILE 8 12.226 5.490 3.068 41 H LEU 9 H LEU 9 13.107 2.901 4.385 42 HA LEU 9 HA LEU 9 14.791 3.052 1.983 43 HB2 LEU 9 1HB LEU 9 13.573 0.673 1.744 44 HB3 LEU 9 2HB LEU 9 15.097 0.913 2.597 45 HG LEU 9 HG LEU 9 12.415 0.903 3.970 46 HD11 LEU 9 1HD1 LEU 9 13.777 -1.416 4.652 47 HD12 LEU 9 2HD1 LEU 9 13.952 -1.300 2.902 48 HD13 LEU 9 3HD1 LEU 9 12.346 -1.292 3.629 49 HD21 LEU 9 1HD2 LEU 9 14.924 1.731 4.817 50 HD22 LEU 9 2HD2 LEU 9 14.751 0.107 5.485 51 HD23 LEU 9 3HD2 LEU 9 13.540 1.341 5.839 52 H PHE 10 H PHE 10 11.432 2.634 3.032 53 HA PHE 10 HA PHE 10 10.189 2.400 0.576 54 HB2 PHE 10 1HB PHE 10 9.284 2.479 3.094 55 HB3 PHE 10 2HB PHE 10 8.858 4.117 2.608 56 HD1 PHE 10 2HD PHE 10 8.799 0.881 0.758 57 HD2 PHE 10 1HD PHE 10 6.587 4.195 2.256 58 HE1 PHE 10 2HE PHE 10 6.774 0.022 -0.342 59 HE2 PHE 10 1HE PHE 10 4.558 3.340 1.159 60 HZ PHE 10 HZ PHE 10 4.649 1.252 -0.143 61 H ILE 11 H ILE 11 11.205 3.691 -0.970 62 HA ILE 11 HA ILE 11 11.458 6.519 -0.683 63 HB ILE 11 HB ILE 11 12.856 5.044 -2.201 64 HG12 ILE 11 1HG1 ILE 11 12.589 6.868 -4.144 65 HG13 ILE 11 2HG1 ILE 11 11.640 7.669 -2.897 66 HG21 ILE 11 1HG2 ILE 11 10.490 5.332 -4.045 67 HG22 ILE 11 2HG2 ILE 11 12.025 4.542 -4.403 68 HG23 ILE 11 3HG2 ILE 11 10.934 3.847 -3.205 69 HD11 ILE 11 1HD1 ILE 11 13.576 7.509 -1.378 70 HD12 ILE 11 2HD1 ILE 11 14.516 6.816 -2.700 71 HD13 ILE 11 3HD1 ILE 11 13.900 8.463 -2.825 72 H GLU 12 H GLU 12 9.239 4.423 -2.507 73 HA GLU 12 HA GLU 12 7.614 6.717 -3.253 74 HB2 GLU 12 1HB GLU 12 8.194 4.531 -4.652 75 HB3 GLU 12 2HB GLU 12 6.761 3.922 -3.835 76 HG2 GLU 12 1HG GLU 12 6.959 6.298 -5.663 77 HG3 GLU 12 2HG GLU 12 6.089 4.790 -5.940 78 H LYS 13 H LYS 13 5.513 7.074 -2.589 79 HA LYS 13 HA LYS 13 4.525 5.385 -0.388 80 HB2 LYS 13 1HB LYS 13 4.262 8.392 -0.488 81 HB3 LYS 13 2HB LYS 13 3.803 7.327 0.834 82 HG2 LYS 13 1HG LYS 13 6.638 7.310 -0.043 83 HG3 LYS 13 2HG LYS 13 6.052 8.707 0.864 84 HD2 LYS 13 1HD LYS 13 5.527 5.922 1.837 85 HD3 LYS 13 2HD LYS 13 7.074 6.709 2.154 86 HE2 LYS 13 1HE LYS 13 5.640 8.666 3.030 87 HE3 LYS 13 2HE LYS 13 4.332 7.486 3.086 88 HZ1 LYS 13 1HZ LYS 13 6.087 6.094 4.375 89 HZ2 LYS 13 2HZ LYS 13 5.211 7.298 5.176 90 HZ3 LYS 13 3HZ LYS 13 6.798 7.599 4.676 91 HA PRO 14 HA PRO 14 1.044 5.278 -3.199 92 HB2 PRO 14 1HB PRO 14 -0.390 3.486 -1.749 93 HB3 PRO 14 2HB PRO 14 0.963 3.019 -2.787 94 HG2 PRO 14 1HG PRO 14 0.904 3.429 0.178 95 HG3 PRO 14 2HG PRO 14 1.688 2.143 -0.758 96 HD2 PRO 14 1HD PRO 14 3.051 4.264 0.228 97 HD3 PRO 14 2HD PRO 14 3.501 3.463 -1.291 98 H GLN 15 H GLN 15 0.204 7.347 -2.899 99 HA GLN 15 HA GLN 15 -1.162 8.070 -0.474 100 HB2 GLN 15 1HB GLN 15 -0.945 9.426 -3.163 101 HB3 GLN 15 2HB GLN 15 -1.804 10.114 -1.792 102 HG2 GLN 15 1HG GLN 15 0.194 11.146 -1.526 103 HG3 GLN 15 2HG GLN 15 0.507 9.687 -0.588 104 HE21 GLN 15 1HE2 GLN 15 2.728 9.887 -0.919 105 HE22 GLN 15 2HE2 GLN 15 3.463 9.509 -2.436 106 H GLY 16 H GLY 16 -3.119 7.351 0.026 107 HA2 GLY 16 1HA GLY 16 -4.836 5.850 -1.436 108 HA3 GLY 16 2HA GLY 16 -5.387 6.959 -0.189 109 H GLY 17 H GLY 17 -6.899 6.283 -2.466 110 HA2 GLY 17 1HA GLY 17 -7.166 8.955 -3.644 111 HA3 GLY 17 2HA GLY 17 -6.994 7.586 -4.732 112 H THR 18 H THR 18 -9.067 8.166 -5.597 113 HA THR 18 HA THR 18 -11.258 7.039 -4.004 114 HB THR 18 HB THR 18 -11.683 9.501 -5.688 115 HG1 THR 18 1HG THR 18 -11.147 10.734 -4.021 116 HG21 THR 18 1HG2 THR 18 -13.766 8.620 -5.306 117 HG22 THR 18 2HG2 THR 18 -13.589 9.609 -3.856 118 HG23 THR 18 3HG2 THR 18 -13.290 7.872 -3.782 119 H VAL 19 H VAL 19 -12.001 5.355 -5.104 120 HA VAL 19 HA VAL 19 -12.032 5.490 -8.048 121 HB VAL 19 HB VAL 19 -10.621 3.689 -7.147 122 HG11 VAL 19 1HG1 VAL 19 -11.471 3.041 -5.109 123 HG12 VAL 19 2HG1 VAL 19 -13.136 3.000 -5.694 124 HG13 VAL 19 3HG1 VAL 19 -12.010 1.717 -6.142 125 HG21 VAL 19 1HG2 VAL 19 -11.173 2.655 -9.032 126 HG22 VAL 19 2HG2 VAL 19 -12.508 1.870 -8.188 127 HG23 VAL 19 3HG2 VAL 19 -12.768 3.407 -9.013 128 H LYS 20 H LYS 20 -13.878 4.970 -9.168 129 HA LYS 20 HA LYS 20 -16.355 5.300 -7.761 130 HB2 LYS 20 1HB LYS 20 -15.750 6.120 -10.131 131 HB3 LYS 20 2HB LYS 20 -16.101 4.475 -10.643 132 HG2 LYS 20 1HG LYS 20 -18.053 5.771 -11.009 133 HG3 LYS 20 2HG LYS 20 -18.367 4.727 -9.621 134 HD2 LYS 20 1HD LYS 20 -19.205 6.883 -9.072 135 HD3 LYS 20 2HD LYS 20 -17.716 6.661 -8.151 136 HE2 LYS 20 1HE LYS 20 -17.729 8.879 -9.068 137 HE3 LYS 20 2HE LYS 20 -16.506 7.930 -9.910 138 HZ1 LYS 20 1HZ LYS 20 -18.830 7.602 -11.352 139 HZ2 LYS 20 2HZ LYS 20 -17.488 8.535 -11.786 140 HZ3 LYS 20 3HZ LYS 20 -18.784 9.249 -10.966 141 H VAL 21 H VAL 21 -18.095 3.825 -7.674 142 HA VAL 21 HA VAL 21 -17.423 1.197 -6.991 143 HB VAL 21 HB VAL 21 -20.095 2.388 -7.733 144 HG11 VAL 21 1HG1 VAL 21 -20.376 0.086 -6.097 145 HG12 VAL 21 2HG1 VAL 21 -20.987 0.356 -7.730 146 HG13 VAL 21 3HG1 VAL 21 -19.390 -0.352 -7.491 147 HG21 VAL 21 1HG2 VAL 21 -20.462 2.285 -5.281 148 HG22 VAL 21 2HG2 VAL 21 -18.787 1.769 -5.086 149 HG23 VAL 21 3HG2 VAL 21 -19.147 3.364 -5.746 150 H GLY 22 H GLY 22 -16.735 -0.366 -8.290 151 HA2 GLY 22 1HA GLY 22 -17.194 -1.991 -9.976 152 HA3 GLY 22 2HA GLY 22 -18.129 -0.782 -10.842 153 H GLU 23 H GLU 23 -15.639 1.002 -10.042 154 HA GLU 23 HA GLU 23 -14.346 0.655 -12.599 155 HB2 GLU 23 1HB GLU 23 -14.303 2.687 -10.432 156 HB3 GLU 23 2HB GLU 23 -12.872 2.572 -11.446 157 HG2 GLU 23 1HG GLU 23 -14.604 4.250 -12.156 158 HG3 GLU 23 2HG GLU 23 -14.078 3.109 -13.392 159 H ASP 24 H ASP 24 -11.817 1.012 -12.490 160 HA ASP 24 HA ASP 24 -10.732 -0.931 -10.557 161 HB2 ASP 24 1HB ASP 24 -9.293 -1.834 -12.239 162 HB3 ASP 24 2HB ASP 24 -10.917 -1.791 -12.920 163 H ILE 25 H ILE 25 -9.286 -0.064 -9.240 164 HA ILE 25 HA ILE 25 -7.732 2.256 -10.187 165 HB ILE 25 HB ILE 25 -9.187 2.956 -8.410 166 HG12 ILE 25 1HG1 ILE 25 -6.494 2.553 -7.114 167 HG13 ILE 25 2HG1 ILE 25 -6.729 3.671 -8.453 168 HG21 ILE 25 1HG2 ILE 25 -9.612 0.720 -7.466 169 HG22 ILE 25 2HG2 ILE 25 -8.008 0.743 -6.736 170 HG23 ILE 25 3HG2 ILE 25 -9.224 1.913 -6.226 171 HD11 ILE 25 1HD1 ILE 25 -7.720 3.832 -5.652 172 HD12 ILE 25 2HD1 ILE 25 -6.938 5.061 -6.647 173 HD13 ILE 25 3HD1 ILE 25 -8.622 4.629 -6.940 174 H THR 26 H THR 26 -5.553 2.445 -9.453 175 HA THR 26 HA THR 26 -4.356 -0.011 -8.378 176 HB THR 26 HB THR 26 -3.027 1.475 -10.632 177 HG1 THR 26 1HG THR 26 -3.904 -0.543 -11.802 178 HG21 THR 26 1HG2 THR 26 -2.763 -1.407 -9.792 179 HG22 THR 26 2HG2 THR 26 -1.765 -0.117 -9.121 180 HG23 THR 26 3HG2 THR 26 -1.696 -0.479 -10.845 181 H PHE 27 H PHE 27 -2.842 0.335 -6.865 182 HA PHE 27 HA PHE 27 -1.978 3.113 -6.425 183 HB2 PHE 27 1HB PHE 27 -2.148 0.824 -4.454 184 HB3 PHE 27 2HB PHE 27 -1.613 2.458 -4.076 185 HD1 PHE 27 1HD PHE 27 -4.483 0.339 -4.875 186 HD2 PHE 27 2HD PHE 27 -3.189 4.274 -3.900 187 HE1 PHE 27 1HE PHE 27 -6.810 0.983 -4.404 188 HE2 PHE 27 2HE PHE 27 -5.513 4.925 -3.426 189 HZ PHE 27 HZ PHE 27 -7.328 3.279 -3.677 190 H ILE 28 H ILE 28 0.134 3.618 -6.441 191 HA ILE 28 HA ILE 28 2.019 1.511 -7.153 192 HB ILE 28 HB ILE 28 2.261 4.517 -7.162 193 HG12 ILE 28 1HG1 ILE 28 0.921 3.453 -8.972 194 HG13 ILE 28 2HG1 ILE 28 2.359 4.274 -9.569 195 HG21 ILE 28 1HG2 ILE 28 4.328 2.483 -7.114 196 HG22 ILE 28 2HG2 ILE 28 4.425 3.503 -8.549 197 HG23 ILE 28 3HG2 ILE 28 4.460 4.234 -6.944 198 HD11 ILE 28 1HD1 ILE 28 3.342 1.799 -9.248 199 HD12 ILE 28 2HD1 ILE 28 1.655 1.421 -9.599 200 HD13 ILE 28 3HD1 ILE 28 2.601 2.375 -10.740 201 H ALA 29 H ALA 29 3.463 0.682 -5.790 202 HA ALA 29 HA ALA 29 4.418 2.220 -3.518 203 HB1 ALA 29 1HB ALA 29 3.563 -0.480 -2.730 204 HB2 ALA 29 2HB ALA 29 3.468 1.047 -1.851 205 HB3 ALA 29 3HB ALA 29 2.256 0.655 -3.071 206 H LYS 30 H LYS 30 6.547 2.055 -3.745 207 HA LYS 30 HA LYS 30 7.697 -0.608 -4.247 208 HB2 LYS 30 1HB LYS 30 9.090 0.145 -5.894 209 HB3 LYS 30 2HB LYS 30 7.747 1.252 -6.148 210 HG2 LYS 30 1HG LYS 30 9.063 2.756 -4.458 211 HG3 LYS 30 2HG LYS 30 10.431 1.763 -4.966 212 HD2 LYS 30 1HD LYS 30 10.166 3.853 -6.287 213 HD3 LYS 30 2HD LYS 30 10.101 2.385 -7.264 214 HE2 LYS 30 1HE LYS 30 7.889 2.644 -7.749 215 HE3 LYS 30 2HE LYS 30 7.537 3.453 -6.223 216 HZ1 LYS 30 1HZ LYS 30 7.965 5.461 -7.092 217 HZ2 LYS 30 2HZ LYS 30 7.682 4.702 -8.577 218 HZ3 LYS 30 3HZ LYS 30 9.267 4.917 -8.026 219 H VAL 31 H VAL 31 9.847 -0.927 -3.400 220 HA VAL 31 HA VAL 31 10.487 0.888 -1.165 221 HB VAL 31 HB VAL 31 9.561 -1.478 -0.622 222 HG11 VAL 31 1HG1 VAL 31 12.330 -2.457 -0.688 223 HG12 VAL 31 2HG1 VAL 31 10.816 -3.304 -1.011 224 HG13 VAL 31 3HG1 VAL 31 11.553 -2.304 -2.264 225 HG21 VAL 31 1HG2 VAL 31 11.032 0.298 0.766 226 HG22 VAL 31 2HG2 VAL 31 10.460 -1.230 1.436 227 HG23 VAL 31 3HG2 VAL 31 12.107 -1.100 0.818 228 H LYS 32 H LYS 32 12.661 1.261 -0.710 229 HA LYS 32 HA LYS 32 14.423 1.040 -2.973 230 HB2 LYS 32 1HB LYS 32 14.248 3.012 -1.346 231 HB3 LYS 32 2HB LYS 32 15.180 2.025 -0.228 232 HG2 LYS 32 1HG LYS 32 16.833 3.258 -1.222 233 HG3 LYS 32 2HG LYS 32 16.830 1.815 -2.239 234 HD2 LYS 32 1HD LYS 32 15.037 3.244 -3.585 235 HD3 LYS 32 2HD LYS 32 15.926 4.578 -2.847 236 HE2 LYS 32 1HE LYS 32 17.443 2.382 -4.176 237 HE3 LYS 32 2HE LYS 32 16.645 3.595 -5.175 238 HZ1 LYS 32 1HZ LYS 32 18.321 4.962 -4.785 239 HZ2 LYS 32 2HZ LYS 32 19.082 3.802 -3.818 240 HZ3 LYS 32 3HZ LYS 32 18.013 4.913 -3.122 241 H ALA 33 H ALA 33 15.467 -0.789 -3.389 242 HA ALA 33 HA ALA 33 16.428 -2.413 -1.128 243 HB1 ALA 33 1HB ALA 33 16.241 -3.452 -3.926 244 HB2 ALA 33 2HB ALA 33 16.168 -4.329 -2.397 245 HB3 ALA 33 3HB ALA 33 14.798 -3.348 -2.917 246 H GLU 34 H GLU 34 18.528 -3.352 -1.254 247 HA GLU 34 HA GLU 34 20.355 -1.970 -3.107 248 HB2 GLU 34 1HB GLU 34 20.864 -2.671 -0.210 249 HB3 GLU 34 2HB GLU 34 22.050 -1.981 -1.309 250 HG2 GLU 34 1HG GLU 34 20.628 0.010 -1.557 251 HG3 GLU 34 2HG GLU 34 19.496 -0.678 -0.394 252 H ASP 35 H ASP 35 19.952 -4.812 -1.013 253 HA ASP 35 HA ASP 35 22.001 -6.267 -2.459 254 HB2 ASP 35 1HB ASP 35 21.348 -6.386 0.104 255 HB3 ASP 35 2HB ASP 35 20.198 -7.587 -0.477 256 H LEU 36 H LEU 36 21.685 -7.939 -3.864 257 HA LEU 36 HA LEU 36 19.095 -8.078 -5.132 258 HB2 LEU 36 1HB LEU 36 21.732 -9.412 -5.703 259 HB3 LEU 36 2HB LEU 36 20.275 -9.698 -6.654 260 HG LEU 36 HG LEU 36 21.958 -7.222 -6.483 261 HD11 LEU 36 1HD1 LEU 36 22.418 -7.604 -8.659 262 HD12 LEU 36 2HD1 LEU 36 20.814 -8.251 -9.001 263 HD13 LEU 36 3HD1 LEU 36 22.025 -9.266 -8.218 264 HD21 LEU 36 1HD2 LEU 36 19.941 -6.158 -6.272 265 HD22 LEU 36 2HD2 LEU 36 19.049 -7.446 -7.083 266 HD23 LEU 36 3HD2 LEU 36 20.031 -6.324 -8.025 267 H LEU 37 H LEU 37 21.277 -10.387 -3.525 268 HA LEU 37 HA LEU 37 19.803 -12.686 -3.702 269 HB2 LEU 37 1HB LEU 37 21.266 -11.785 -1.227 270 HB3 LEU 37 2HB LEU 37 20.904 -13.445 -1.698 271 HG LEU 37 HG LEU 37 22.603 -11.761 -3.484 272 HD11 LEU 37 1HD1 LEU 37 23.613 -11.405 -1.328 273 HD12 LEU 37 2HD1 LEU 37 24.596 -12.543 -2.249 274 HD13 LEU 37 3HD1 LEU 37 23.537 -13.130 -0.967 275 HD21 LEU 37 1HD2 LEU 37 21.662 -14.292 -3.672 276 HD22 LEU 37 2HD2 LEU 37 23.222 -14.574 -2.900 277 HD23 LEU 37 3HD2 LEU 37 23.142 -13.722 -4.443 278 H ARG 38 H ARG 38 19.387 -10.039 -1.394 279 HA ARG 38 HA ARG 38 17.189 -11.367 -0.066 280 HB2 ARG 38 1HB ARG 38 17.905 -8.468 0.272 281 HB3 ARG 38 2HB ARG 38 17.183 -9.567 1.440 282 HG2 ARG 38 1HG ARG 38 19.962 -10.011 0.421 283 HG3 ARG 38 2HG ARG 38 19.638 -8.887 1.742 284 HD2 ARG 38 1HD ARG 38 18.936 -10.563 3.170 285 HD3 ARG 38 2HD ARG 38 18.530 -11.658 1.849 286 HE ARG 38 HE ARG 38 21.274 -11.261 1.761 287 HH11 ARG 38 2HH1 ARG 38 18.921 -12.609 3.944 288 HH12 ARG 38 1HH1 ARG 38 20.024 -13.752 4.634 289 HH21 ARG 38 2HH2 ARG 38 22.736 -12.762 2.662 290 HH22 ARG 38 1HH2 ARG 38 22.194 -13.838 3.905 291 H LYS 39 H LYS 39 15.038 -10.521 0.034 292 HA LYS 39 HA LYS 39 14.253 -8.614 -2.025 293 HB2 LYS 39 1HB LYS 39 14.112 -10.698 -3.227 294 HB3 LYS 39 2HB LYS 39 13.237 -11.457 -1.903 295 HG2 LYS 39 1HG LYS 39 11.265 -10.432 -2.432 296 HG3 LYS 39 2HG LYS 39 12.059 -9.043 -3.176 297 HD2 LYS 39 1HD LYS 39 11.089 -10.248 -4.956 298 HD3 LYS 39 2HD LYS 39 12.810 -10.638 -5.005 299 HE2 LYS 39 1HE LYS 39 12.377 -12.736 -3.842 300 HE3 LYS 39 2HE LYS 39 10.662 -12.340 -3.742 301 HZ1 LYS 39 1HZ LYS 39 11.772 -12.261 -6.410 302 HZ2 LYS 39 2HZ LYS 39 10.320 -12.932 -5.861 303 HZ3 LYS 39 3HZ LYS 39 11.765 -13.796 -5.699 304 HA PRO 40 HA PRO 40 11.736 -7.500 1.483 305 HB2 PRO 40 1HB PRO 40 10.598 -5.327 0.319 306 HB3 PRO 40 2HB PRO 40 12.244 -5.320 0.962 307 HG2 PRO 40 1HG PRO 40 11.316 -5.643 -1.866 308 HG3 PRO 40 2HG PRO 40 12.663 -4.679 -1.234 309 HD2 PRO 40 1HD PRO 40 13.021 -7.102 -2.389 310 HD3 PRO 40 2HD PRO 40 14.062 -6.505 -1.080 311 H THR 41 H THR 41 9.423 -7.139 1.893 312 HA THR 41 HA THR 41 7.640 -8.188 -0.185 313 HB THR 41 HB THR 41 7.682 -9.210 2.662 314 HG1 THR 41 1HG THR 41 8.896 -10.756 1.891 315 HG21 THR 41 1HG2 THR 41 5.558 -9.787 2.311 316 HG22 THR 41 2HG2 THR 41 6.104 -10.838 1.003 317 HG23 THR 41 3HG2 THR 41 5.622 -9.177 0.658 318 H ILE 42 H ILE 42 5.717 -7.177 -0.290 319 HA ILE 42 HA ILE 42 5.159 -5.141 1.753 320 HB ILE 42 HB ILE 42 5.400 -4.332 -0.569 321 HG12 ILE 42 1HG1 ILE 42 2.503 -4.009 0.118 322 HG13 ILE 42 2HG1 ILE 42 3.723 -3.425 1.244 323 HG21 ILE 42 1HG2 ILE 42 4.203 -5.101 -2.339 324 HG22 ILE 42 2HG2 ILE 42 4.205 -6.573 -1.368 325 HG23 ILE 42 3HG2 ILE 42 2.798 -5.510 -1.354 326 HD11 ILE 42 1HD1 ILE 42 4.200 -2.594 -1.505 327 HD12 ILE 42 2HD1 ILE 42 2.671 -2.015 -0.842 328 HD13 ILE 42 3HD1 ILE 42 4.185 -1.650 -0.015 329 H LYS 43 H LYS 43 3.000 -4.827 2.493 330 HA LYS 43 HA LYS 43 1.096 -6.981 1.979 331 HB2 LYS 43 1HB LYS 43 2.532 -7.566 3.988 332 HB3 LYS 43 2HB LYS 43 1.810 -6.183 4.801 333 HG2 LYS 43 1HG LYS 43 0.477 -7.885 5.550 334 HG3 LYS 43 2HG LYS 43 -0.438 -7.339 4.142 335 HD2 LYS 43 1HD LYS 43 -0.305 -9.763 4.170 336 HD3 LYS 43 2HD LYS 43 0.602 -9.119 2.799 337 HE2 LYS 43 1HE LYS 43 2.078 -9.560 5.333 338 HE3 LYS 43 2HE LYS 43 1.586 -10.988 4.424 339 HZ1 LYS 43 1HZ LYS 43 2.635 -9.316 2.540 340 HZ2 LYS 43 2HZ LYS 43 3.408 -10.656 3.223 341 HZ3 LYS 43 3HZ LYS 43 3.667 -9.113 3.865 342 H TRP 44 H TRP 44 -0.841 -6.138 1.617 343 HA TRP 44 HA TRP 44 -1.379 -3.400 2.501 344 HB2 TRP 44 1HB TRP 44 -3.049 -5.052 0.605 345 HB3 TRP 44 2HB TRP 44 -3.055 -3.302 0.809 346 HD1 TRP 44 HD TRP 44 -0.620 -6.061 -0.427 347 HE1 TRP 44 1HE TRP 44 0.830 -5.052 -2.298 348 HE3 TRP 44 3HE TRP 44 -2.356 -1.254 -0.297 349 HZ2 TRP 44 2HZ TRP 44 1.192 -2.549 -3.553 350 HZ3 TRP 44 3HZ TRP 44 -1.405 0.386 -1.866 351 HH2 TRP 44 HH TRP 44 0.332 -0.250 -3.459 352 H PHE 45 H PHE 45 -2.844 -2.920 4.018 353 HA PHE 45 HA PHE 45 -4.675 -5.049 4.904 354 HB2 PHE 45 1HB PHE 45 -2.952 -3.216 6.556 355 HB3 PHE 45 2HB PHE 45 -4.402 -3.957 7.225 356 HD1 PHE 45 1HD PHE 45 -4.567 -6.471 7.253 357 HD2 PHE 45 2HD PHE 45 -0.944 -4.404 6.410 358 HE1 PHE 45 1HE PHE 45 -3.289 -8.510 7.768 359 HE2 PHE 45 2HE PHE 45 0.341 -6.439 6.923 360 HZ PHE 45 HZ PHE 45 -0.832 -8.495 7.602 361 H LYS 46 H LYS 46 -6.633 -4.296 5.946 362 HA LYS 46 HA LYS 46 -7.344 -1.510 5.357 363 HB2 LYS 46 1HB LYS 46 -8.164 -2.885 3.493 364 HB3 LYS 46 2HB LYS 46 -9.022 -3.919 4.629 365 HG2 LYS 46 1HG LYS 46 -10.593 -2.424 3.640 366 HG3 LYS 46 2HG LYS 46 -10.362 -1.943 5.323 367 HD2 LYS 46 1HD LYS 46 -8.699 -0.247 4.508 368 HD3 LYS 46 2HD LYS 46 -9.200 -0.644 2.863 369 HE2 LYS 46 1HE LYS 46 -10.928 0.473 5.067 370 HE3 LYS 46 2HE LYS 46 -10.389 1.316 3.615 371 HZ1 LYS 46 1HZ LYS 46 -12.034 -1.141 3.486 372 HZ2 LYS 46 2HZ LYS 46 -11.762 0.003 2.270 373 HZ3 LYS 46 3HZ LYS 46 -12.729 0.398 3.600 374 H GLY 47 H GLY 47 -8.912 -0.606 6.705 375 HA2 GLY 47 1HA GLY 47 -10.106 -0.322 8.645 376 HA3 GLY 47 2HA GLY 47 -10.458 -2.042 8.571 377 H LYS 48 H LYS 48 -10.050 -2.848 10.524 378 HA LYS 48 HA LYS 48 -7.628 -1.973 11.937 379 HB2 LYS 48 1HB LYS 48 -10.071 -1.986 12.937 380 HB3 LYS 48 2HB LYS 48 -9.717 -3.686 13.217 381 HG2 LYS 48 1HG LYS 48 -7.680 -2.997 14.461 382 HG3 LYS 48 2HG LYS 48 -8.196 -1.318 14.283 383 HD2 LYS 48 1HD LYS 48 -10.337 -1.947 15.418 384 HD3 LYS 48 2HD LYS 48 -9.634 -3.534 15.738 385 HE2 LYS 48 1HE LYS 48 -7.675 -2.094 16.743 386 HE3 LYS 48 2HE LYS 48 -8.937 -0.872 16.886 387 HZ1 LYS 48 1HZ LYS 48 -8.473 -2.636 18.775 388 HZ2 LYS 48 2HZ LYS 48 -9.556 -3.555 17.857 389 HZ3 LYS 48 3HZ LYS 48 -10.029 -2.049 18.465 390 H TRP 49 H TRP 49 -9.460 -4.919 11.150 391 HA TRP 49 HA TRP 49 -6.948 -6.438 11.421 392 HB2 TRP 49 1HB TRP 49 -9.720 -7.608 11.653 393 HB3 TRP 49 2HB TRP 49 -8.188 -8.347 12.112 394 HD1 TRP 49 HD TRP 49 -10.771 -5.804 13.330 395 HE1 TRP 49 1HE TRP 49 -10.351 -5.333 15.825 396 HE3 TRP 49 3HE TRP 49 -6.366 -8.334 13.902 397 HZ2 TRP 49 2HZ TRP 49 -8.409 -5.952 17.778 398 HZ3 TRP 49 3HZ TRP 49 -5.292 -8.346 16.116 399 HH2 TRP 49 HH TRP 49 -6.293 -7.178 18.012 400 H MET 50 H MET 50 -9.836 -5.891 9.498 401 HA MET 50 HA MET 50 -9.785 -7.841 7.619 402 HB2 MET 50 1HB MET 50 -11.190 -5.629 7.795 403 HB3 MET 50 2HB MET 50 -9.997 -5.014 6.659 404 HG2 MET 50 1HG MET 50 -10.561 -7.138 5.294 405 HG3 MET 50 2HG MET 50 -12.015 -7.181 6.288 406 HE1 MET 50 1HE MET 50 -10.652 -4.407 3.080 407 HE2 MET 50 2HE MET 50 -10.060 -5.979 3.618 408 HE3 MET 50 3HE MET 50 -11.464 -5.881 2.553 409 H ASP 51 H ASP 51 -8.152 -8.720 6.545 410 HA ASP 51 HA ASP 51 -5.915 -7.012 5.701 411 HB2 ASP 51 1HB ASP 51 -5.283 -8.911 7.101 412 HB3 ASP 51 2HB ASP 51 -6.079 -10.019 5.986 413 H LEU 52 H LEU 52 -5.886 -6.388 3.655 414 HA LEU 52 HA LEU 52 -7.648 -7.387 1.689 415 HB2 LEU 52 1HB LEU 52 -5.118 -5.833 1.198 416 HB3 LEU 52 2HB LEU 52 -6.540 -5.921 0.162 417 HG LEU 52 HG LEU 52 -6.430 -4.599 2.873 418 HD11 LEU 52 1HD1 LEU 52 -6.263 -3.525 0.075 419 HD12 LEU 52 2HD1 LEU 52 -5.178 -3.237 1.434 420 HD13 LEU 52 3HD1 LEU 52 -6.794 -2.532 1.433 421 HD21 LEU 52 1HD2 LEU 52 -8.614 -5.424 1.158 422 HD22 LEU 52 2HD2 LEU 52 -8.628 -3.685 1.452 423 HD23 LEU 52 3HD2 LEU 52 -8.646 -4.811 2.811 424 H ALA 53 H ALA 53 -4.218 -7.954 2.332 425 HA ALA 53 HA ALA 53 -3.374 -9.314 0.144 426 HB1 ALA 53 1HB ALA 53 -1.671 -10.118 1.419 427 HB2 ALA 53 2HB ALA 53 -2.294 -8.901 2.534 428 HB3 ALA 53 3HB ALA 53 -2.737 -10.595 2.741 429 H SER 54 H SER 54 -5.590 -10.484 2.603 430 HA SER 54 HA SER 54 -5.649 -13.159 1.493 431 HB2 SER 54 1HB SER 54 -5.868 -12.803 3.931 432 HB3 SER 54 2HB SER 54 -7.369 -11.919 3.656 433 HG SER 54 HG SER 54 -8.303 -13.797 2.882 434 H LYS 55 H LYS 55 -7.504 -10.216 1.331 435 HA LYS 55 HA LYS 55 -9.861 -11.360 0.210 436 HB2 LYS 55 1HB LYS 55 -8.865 -8.512 0.015 437 HB3 LYS 55 2HB LYS 55 -10.507 -9.063 -0.287 438 HG2 LYS 55 1HG LYS 55 -9.165 -9.429 2.372 439 HG3 LYS 55 2HG LYS 55 -10.047 -7.959 1.950 440 HD2 LYS 55 1HD LYS 55 -11.986 -9.528 1.351 441 HD3 LYS 55 2HD LYS 55 -11.091 -10.761 2.242 442 HE2 LYS 55 1HE LYS 55 -11.095 -9.317 4.223 443 HE3 LYS 55 2HE LYS 55 -12.001 -8.097 3.329 444 HZ1 LYS 55 1HZ LYS 55 -13.498 -9.375 4.670 445 HZ2 LYS 55 2HZ LYS 55 -12.927 -10.830 4.025 446 HZ3 LYS 55 3HZ LYS 55 -13.785 -9.751 3.046 447 H ALA 56 H ALA 56 -6.824 -10.258 -1.079 448 HA ALA 56 HA ALA 56 -7.466 -9.788 -3.734 449 HB1 ALA 56 1HB ALA 56 -4.981 -11.129 -3.710 450 HB2 ALA 56 2HB ALA 56 -5.285 -9.392 -3.765 451 HB3 ALA 56 3HB ALA 56 -5.092 -10.204 -2.211 452 H GLY 57 H GLY 57 -8.672 -11.075 -4.980 453 HA2 GLY 57 1HA GLY 57 -7.744 -13.762 -5.534 454 HA3 GLY 57 2HA GLY 57 -9.321 -13.681 -4.762 455 H LYS 58 H LYS 58 -10.770 -11.903 -5.879 456 HA LYS 58 HA LYS 58 -10.517 -12.235 -8.795 457 HB2 LYS 58 1HB LYS 58 -12.258 -13.730 -7.813 458 HB3 LYS 58 2HB LYS 58 -13.100 -12.302 -7.226 459 HG2 LYS 58 1HG LYS 58 -13.767 -11.661 -9.333 460 HG3 LYS 58 2HG LYS 58 -12.458 -12.538 -10.129 461 HD2 LYS 58 1HD LYS 58 -14.400 -13.777 -10.599 462 HD3 LYS 58 2HD LYS 58 -13.597 -14.662 -9.299 463 HE2 LYS 58 1HE LYS 58 -15.141 -13.953 -7.702 464 HE3 LYS 58 2HE LYS 58 -15.695 -12.608 -8.698 465 HZ1 LYS 58 1HZ LYS 58 -17.326 -14.377 -8.648 466 HZ2 LYS 58 2HZ LYS 58 -16.193 -15.486 -9.236 467 HZ3 LYS 58 3HZ LYS 58 -16.707 -14.205 -10.213 468 H HIS 59 H HIS 59 -12.392 -10.420 -6.358 469 HA HIS 59 HA HIS 59 -12.796 -8.185 -8.076 470 HB2 HIS 59 1HB HIS 59 -13.142 -8.535 -5.095 471 HB3 HIS 59 2HB HIS 59 -13.573 -7.059 -5.955 472 HD1 HIS 59 1HD HIS 59 -15.212 -7.792 -8.213 473 HD2 HIS 59 2HD HIS 59 -15.345 -10.031 -4.715 474 HE1 HIS 59 1HE HIS 59 -17.410 -9.012 -8.278 475 HE2 HIS 59 2HE HIS 59 -17.506 -10.294 -6.112 476 H LEU 60 H LEU 60 -10.209 -9.195 -6.088 477 HA LEU 60 HA LEU 60 -8.883 -6.606 -6.510 478 HB2 LEU 60 1HB LEU 60 -9.460 -6.558 -4.220 479 HB3 LEU 60 2HB LEU 60 -8.988 -8.240 -3.991 480 HG LEU 60 HG LEU 60 -6.609 -7.242 -4.670 481 HD11 LEU 60 1HD1 LEU 60 -6.511 -5.031 -4.699 482 HD12 LEU 60 2HD1 LEU 60 -7.027 -4.996 -3.013 483 HD13 LEU 60 3HD1 LEU 60 -8.227 -4.925 -4.303 484 HD21 LEU 60 1HD2 LEU 60 -7.761 -8.236 -2.410 485 HD22 LEU 60 2HD2 LEU 60 -7.251 -6.634 -1.878 486 HD23 LEU 60 3HD2 LEU 60 -6.071 -7.756 -2.556 487 H GLN 61 H GLN 61 -6.683 -6.688 -6.937 488 HA GLN 61 HA GLN 61 -5.333 -9.264 -6.934 489 HB2 GLN 61 1HB GLN 61 -5.792 -7.654 -9.448 490 HB3 GLN 61 2HB GLN 61 -4.620 -8.959 -9.318 491 HG2 GLN 61 1HG GLN 61 -7.498 -9.426 -8.658 492 HG3 GLN 61 2HG GLN 61 -6.938 -9.443 -10.330 493 HE21 GLN 61 1HE2 GLN 61 -6.946 -11.078 -7.294 494 HE22 GLN 61 2HE2 GLN 61 -6.179 -12.530 -7.830 495 H LEU 62 H LEU 62 -3.331 -8.997 -6.214 496 HA LEU 62 HA LEU 62 -2.203 -6.307 -6.131 497 HB2 LEU 62 1HB LEU 62 -1.037 -8.797 -4.918 498 HB3 LEU 62 2HB LEU 62 -0.700 -7.120 -4.493 499 HG LEU 62 HG LEU 62 -3.300 -8.564 -3.980 500 HD11 LEU 62 1HD1 LEU 62 -1.247 -7.685 -1.968 501 HD12 LEU 62 2HD1 LEU 62 -1.295 -9.313 -2.643 502 HD13 LEU 62 3HD1 LEU 62 -2.663 -8.705 -1.710 503 HD21 LEU 62 1HD2 LEU 62 -3.290 -6.024 -4.375 504 HD22 LEU 62 2HD2 LEU 62 -2.449 -5.930 -2.828 505 HD23 LEU 62 3HD2 LEU 62 -4.063 -6.638 -2.914 506 H LYS 63 H LYS 63 0.048 -5.947 -6.687 507 HA LYS 63 HA LYS 63 1.136 -7.839 -8.651 508 HB2 LYS 63 1HB LYS 63 -0.138 -5.608 -9.484 509 HB3 LYS 63 2HB LYS 63 1.483 -4.962 -9.264 510 HG2 LYS 63 1HG LYS 63 1.681 -5.626 -11.413 511 HG3 LYS 63 2HG LYS 63 2.109 -7.154 -10.639 512 HD2 LYS 63 1HD LYS 63 -0.424 -7.654 -10.755 513 HD3 LYS 63 2HD LYS 63 -0.467 -6.352 -11.947 514 HE2 LYS 63 1HE LYS 63 1.002 -7.509 -13.397 515 HE3 LYS 63 2HE LYS 63 1.428 -8.679 -12.149 516 HZ1 LYS 63 1HZ LYS 63 -0.535 -8.940 -14.060 517 HZ2 LYS 63 2HZ LYS 63 -1.372 -8.668 -12.616 518 HZ3 LYS 63 3HZ LYS 63 -0.275 -9.951 -12.729 519 H GLU 64 H GLU 64 3.384 -7.853 -8.842 520 HA GLU 64 HA GLU 64 4.954 -6.023 -7.222 521 HB2 GLU 64 1HB GLU 64 4.704 -7.538 -5.498 522 HB3 GLU 64 2HB GLU 64 4.578 -8.915 -6.583 523 HG2 GLU 64 1HG GLU 64 7.165 -7.468 -6.462 524 HG3 GLU 64 2HG GLU 64 6.716 -8.494 -5.100 525 H THR 65 H THR 65 6.879 -5.606 -8.127 526 HA THR 65 HA THR 65 8.084 -7.528 -9.960 527 HB THR 65 HB THR 65 6.593 -6.035 -11.328 528 HG1 THR 65 1HG THR 65 9.241 -5.471 -12.073 529 HG21 THR 65 1HG2 THR 65 6.723 -3.935 -10.277 530 HG22 THR 65 2HG2 THR 65 7.630 -3.737 -11.777 531 HG23 THR 65 3HG2 THR 65 8.486 -3.962 -10.251 532 H PHE 66 H PHE 66 10.307 -7.136 -10.387 533 HA PHE 66 HA PHE 66 11.556 -5.223 -8.525 534 HB2 PHE 66 1HB PHE 66 12.068 -7.366 -7.670 535 HB3 PHE 66 2HB PHE 66 12.363 -8.026 -9.275 536 HD1 PHE 66 1HD PHE 66 13.660 -5.323 -7.053 537 HD2 PHE 66 2HD PHE 66 14.543 -8.368 -9.892 538 HE1 PHE 66 1HE PHE 66 16.064 -4.865 -6.791 539 HE2 PHE 66 2HE PHE 66 16.948 -7.917 -9.634 540 HZ PHE 66 HZ PHE 66 17.711 -6.164 -8.082 541 H GLU 67 H GLU 67 13.189 -3.946 -9.272 542 HA GLU 67 HA GLU 67 13.905 -4.243 -12.116 543 HB2 GLU 67 1HB GLU 67 13.089 -1.838 -10.548 544 HB3 GLU 67 2HB GLU 67 14.268 -1.635 -11.837 545 HG2 GLU 67 1HG GLU 67 12.686 -2.647 -13.419 546 HG3 GLU 67 2HG GLU 67 11.500 -2.781 -12.122 547 H ARG 68 H ARG 68 15.800 -5.381 -11.632 548 HA ARG 68 HA ARG 68 17.719 -4.744 -9.743 549 HB2 ARG 68 1HB ARG 68 19.313 -5.759 -11.597 550 HB3 ARG 68 2HB ARG 68 18.161 -6.764 -10.728 551 HG2 ARG 68 1HG ARG 68 17.218 -5.496 -13.229 552 HG3 ARG 68 2HG ARG 68 18.400 -6.799 -13.376 553 HD2 ARG 68 1HD ARG 68 16.960 -8.380 -12.589 554 HD3 ARG 68 2HD ARG 68 16.098 -7.238 -11.559 555 HE ARG 68 HE ARG 68 14.604 -6.950 -13.252 556 HH11 ARG 68 2HH1 ARG 68 17.586 -8.130 -14.607 557 HH12 ARG 68 1HH1 ARG 68 16.954 -8.264 -16.214 558 HH21 ARG 68 2HH2 ARG 68 13.761 -7.122 -15.364 559 HH22 ARG 68 1HH2 ARG 68 14.778 -7.689 -16.644 560 H HIS 69 H HIS 69 17.015 -3.216 -12.780 561 HA HIS 69 HA HIS 69 19.387 -1.920 -13.362 562 HB2 HIS 69 1HB HIS 69 16.760 -0.492 -13.639 563 HB3 HIS 69 2HB HIS 69 18.145 -0.484 -14.727 564 HD1 HIS 69 1HD HIS 69 15.215 -2.624 -13.717 565 HD2 HIS 69 2HD HIS 69 18.131 -2.443 -16.671 566 HE1 HIS 69 1HE HIS 69 14.536 -4.328 -15.437 567 HE2 HIS 69 2HE HIS 69 16.360 -4.261 -17.173 568 H SER 70 H SER 70 16.970 -1.153 -10.938 569 HA SER 70 HA SER 70 18.737 0.985 -9.946 570 HB2 SER 70 1HB SER 70 15.727 0.922 -10.117 571 HB3 SER 70 2HB SER 70 16.575 2.011 -9.019 572 HG SER 70 HG SER 70 16.152 2.271 -11.654 573 H ARG 71 H ARG 71 17.416 -1.998 -9.348 574 HA ARG 71 HA ARG 71 17.373 -3.357 -7.525 575 HB2 ARG 71 1HB ARG 71 18.919 -1.122 -6.198 576 HB3 ARG 71 2HB ARG 71 18.746 -2.759 -5.579 577 HG2 ARG 71 1HG ARG 71 19.765 -3.375 -7.938 578 HG3 ARG 71 2HG ARG 71 20.409 -1.737 -7.810 579 HD2 ARG 71 1HD ARG 71 21.055 -2.575 -5.384 580 HD3 ARG 71 2HD ARG 71 20.992 -4.150 -6.173 581 HE ARG 71 HE ARG 71 22.566 -2.148 -7.544 582 HH11 ARG 71 2HH1 ARG 71 22.539 -4.758 -5.240 583 HH12 ARG 71 1HH1 ARG 71 24.232 -5.091 -5.400 584 HH21 ARG 71 2HH2 ARG 71 24.796 -2.577 -7.764 585 HH22 ARG 71 1HH2 ARG 71 25.515 -3.849 -6.836 586 H VAL 72 H VAL 72 15.095 -1.961 -7.973 587 HA VAL 72 HA VAL 72 14.103 -1.538 -5.247 588 HB VAL 72 HB VAL 72 13.520 0.312 -7.563 589 HG11 VAL 72 1HG1 VAL 72 11.836 1.267 -6.387 590 HG12 VAL 72 2HG1 VAL 72 11.727 -0.351 -5.690 591 HG13 VAL 72 3HG1 VAL 72 12.584 0.927 -4.827 592 HG21 VAL 72 1HG2 VAL 72 15.693 0.740 -6.581 593 HG22 VAL 72 2HG2 VAL 72 14.571 2.025 -6.134 594 HG23 VAL 72 3HG2 VAL 72 14.986 0.771 -4.966 595 H TYR 73 H TYR 73 12.239 -2.561 -4.859 596 HA TYR 73 HA TYR 73 10.971 -3.994 -7.050 597 HB2 TYR 73 1HB TYR 73 10.523 -4.106 -4.061 598 HB3 TYR 73 2HB TYR 73 9.695 -5.123 -5.235 599 HD1 TYR 73 2HD TYR 73 13.110 -4.233 -4.037 600 HD2 TYR 73 1HD TYR 73 10.619 -7.170 -5.847 601 HE1 TYR 73 2HE TYR 73 14.950 -5.861 -3.914 602 HE2 TYR 73 1HE TYR 73 12.452 -8.806 -5.728 603 HH TYR 73 HH TYR 73 15.598 -7.940 -4.319 604 H THR 74 H THR 74 9.251 -3.243 -8.074 605 HA THR 74 HA THR 74 7.714 -1.058 -6.877 606 HB THR 74 HB THR 74 7.602 -2.108 -9.710 607 HG1 THR 74 1HG THR 74 9.545 -0.793 -8.597 608 HG21 THR 74 1HG2 THR 74 6.690 0.333 -9.978 609 HG22 THR 74 2HG2 THR 74 6.295 0.159 -8.268 610 HG23 THR 74 3HG2 THR 74 5.616 -0.961 -9.448 611 H PHE 75 H PHE 75 6.145 -1.835 -5.589 612 HA PHE 75 HA PHE 75 4.548 -4.113 -6.515 613 HB2 PHE 75 1HB PHE 75 4.408 -2.807 -3.799 614 HB3 PHE 75 2HB PHE 75 3.842 -4.409 -4.261 615 HD1 PHE 75 1HD PHE 75 5.933 -5.760 -5.502 616 HD2 PHE 75 2HD PHE 75 6.199 -2.875 -2.384 617 HE1 PHE 75 1HE PHE 75 8.084 -6.725 -4.798 618 HE2 PHE 75 2HE PHE 75 8.351 -3.834 -1.676 619 HZ PHE 75 HZ PHE 75 9.297 -5.761 -2.883 620 H GLU 76 H GLU 76 2.423 -3.949 -7.000 621 HA GLU 76 HA GLU 76 1.138 -1.326 -6.625 622 HB2 GLU 76 1HB GLU 76 0.776 -3.107 -9.038 623 HB3 GLU 76 2HB GLU 76 0.099 -1.502 -8.797 624 HG2 GLU 76 1HG GLU 76 2.135 -0.450 -9.128 625 HG3 GLU 76 2HG GLU 76 3.058 -1.912 -8.785 626 H MET 77 H MET 77 -1.286 -1.467 -6.851 627 HA MET 77 HA MET 77 -2.334 -4.057 -5.948 628 HB2 MET 77 1HB MET 77 -2.004 -2.738 -3.938 629 HB3 MET 77 2HB MET 77 -2.867 -1.381 -4.649 630 HG2 MET 77 1HG MET 77 -4.931 -2.470 -4.508 631 HG3 MET 77 2HG MET 77 -4.179 -4.043 -4.252 632 HE1 MET 77 1HE MET 77 -4.419 -0.664 -1.128 633 HE2 MET 77 2HE MET 77 -3.733 -0.480 -2.743 634 HE3 MET 77 3HE MET 77 -5.466 -0.741 -2.545 635 H GLN 78 H GLN 78 -3.469 -4.523 -7.768 636 HA GLN 78 HA GLN 78 -5.131 -2.510 -9.029 637 HB2 GLN 78 1HB GLN 78 -3.770 -4.628 -10.032 638 HB3 GLN 78 2HB GLN 78 -5.375 -5.330 -9.877 639 HG2 GLN 78 1HG GLN 78 -6.285 -3.458 -11.200 640 HG3 GLN 78 2HG GLN 78 -4.644 -2.851 -11.417 641 HE21 GLN 78 1HE2 GLN 78 -3.158 -4.931 -12.014 642 HE22 GLN 78 2HE2 GLN 78 -3.719 -5.747 -13.429 643 H ILE 79 H ILE 79 -7.029 -2.042 -8.143 644 HA ILE 79 HA ILE 79 -8.548 -4.171 -6.809 645 HB ILE 79 HB ILE 79 -8.916 -1.176 -6.669 646 HG12 ILE 79 1HG1 ILE 79 -7.460 -3.165 -4.987 647 HG13 ILE 79 2HG1 ILE 79 -7.020 -1.512 -5.400 648 HG21 ILE 79 1HG2 ILE 79 -10.222 -3.237 -4.916 649 HG22 ILE 79 2HG2 ILE 79 -10.616 -1.527 -5.083 650 HG23 ILE 79 3HG2 ILE 79 -10.973 -2.646 -6.398 651 HD11 ILE 79 1HD1 ILE 79 -9.033 -0.875 -3.901 652 HD12 ILE 79 2HD1 ILE 79 -8.839 -2.507 -3.259 653 HD13 ILE 79 3HD1 ILE 79 -7.507 -1.355 -3.160 654 H ILE 80 H ILE 80 -9.889 -5.172 -8.170 655 HA ILE 80 HA ILE 80 -11.192 -3.677 -10.309 656 HB ILE 80 HB ILE 80 -11.607 -6.603 -9.807 657 HG12 ILE 80 1HG1 ILE 80 -9.615 -6.674 -11.601 658 HG13 ILE 80 2HG1 ILE 80 -9.130 -5.233 -10.715 659 HG21 ILE 80 1HG2 ILE 80 -12.326 -4.722 -11.825 660 HG22 ILE 80 2HG2 ILE 80 -11.273 -5.946 -12.531 661 HG23 ILE 80 3HG2 ILE 80 -12.751 -6.428 -11.700 662 HD11 ILE 80 1HD1 ILE 80 -9.679 -6.978 -8.696 663 HD12 ILE 80 2HD1 ILE 80 -9.018 -8.039 -9.941 664 HD13 ILE 80 3HD1 ILE 80 -8.080 -6.660 -9.368 665 H LYS 81 H LYS 81 -13.426 -3.550 -10.570 666 HA LYS 81 HA LYS 81 -15.512 -3.048 -9.769 667 HB2 LYS 81 1HB LYS 81 -15.232 -5.799 -8.548 668 HB3 LYS 81 2HB LYS 81 -16.735 -4.975 -8.940 669 HG2 LYS 81 1HG LYS 81 -15.706 -4.944 -11.358 670 HG3 LYS 81 2HG LYS 81 -14.775 -6.307 -10.733 671 HD2 LYS 81 1HD LYS 81 -17.016 -7.260 -9.963 672 HD3 LYS 81 2HD LYS 81 -17.757 -6.041 -11.004 673 HE2 LYS 81 1HE LYS 81 -16.996 -7.031 -12.932 674 HE3 LYS 81 2HE LYS 81 -15.617 -7.782 -12.130 675 HZ1 LYS 81 1HZ LYS 81 -18.242 -8.693 -11.279 676 HZ2 LYS 81 2HZ LYS 81 -16.822 -9.573 -11.540 677 HZ3 LYS 81 3HZ LYS 81 -17.790 -9.120 -12.852 678 H ALA 82 H ALA 82 -13.815 -1.720 -8.222 679 HA ALA 82 HA ALA 82 -13.706 -2.284 -5.501 680 HB1 ALA 82 1HB ALA 82 -12.833 -0.244 -7.116 681 HB2 ALA 82 2HB ALA 82 -14.010 0.557 -6.074 682 HB3 ALA 82 3HB ALA 82 -12.654 -0.319 -5.363 683 H LYS 83 H LYS 83 -15.201 -2.382 -3.966 684 HA LYS 83 HA LYS 83 -17.869 -1.306 -4.524 685 HB2 LYS 83 1HB LYS 83 -17.219 -3.054 -2.176 686 HB3 LYS 83 2HB LYS 83 -18.739 -2.886 -3.045 687 HG2 LYS 83 1HG LYS 83 -17.969 -4.189 -4.850 688 HG3 LYS 83 2HG LYS 83 -16.295 -4.103 -4.296 689 HD2 LYS 83 1HD LYS 83 -17.131 -5.307 -2.193 690 HD3 LYS 83 2HD LYS 83 -18.583 -5.662 -3.130 691 HE2 LYS 83 1HE LYS 83 -16.985 -6.582 -4.905 692 HE3 LYS 83 2HE LYS 83 -15.756 -6.539 -3.641 693 HZ1 LYS 83 1HZ LYS 83 -17.705 -7.801 -2.365 694 HZ2 LYS 83 2HZ LYS 83 -16.524 -8.608 -3.267 695 HZ3 LYS 83 3HZ LYS 83 -18.045 -8.306 -3.943 696 H ASP 84 H ASP 84 -19.046 -0.672 -2.361 697 HA ASP 84 HA ASP 84 -17.812 1.691 -1.433 698 HB2 ASP 84 1HB ASP 84 -19.786 2.111 -0.311 699 HB3 ASP 84 2HB ASP 84 -20.343 0.975 -1.537 700 H ASN 85 H ASN 85 -17.236 -1.480 -0.605 701 HA ASN 85 HA ASN 85 -16.604 -0.960 2.187 702 HB2 ASN 85 1HB ASN 85 -16.383 -3.460 0.499 703 HB3 ASN 85 2HB ASN 85 -15.945 -3.377 2.203 704 HD21 ASN 85 1HD2 ASN 85 -17.463 -3.818 3.635 705 HD22 ASN 85 2HD2 ASN 85 -19.162 -3.870 3.323 706 H PHE 86 H PHE 86 -15.079 -0.825 -0.839 707 HA PHE 86 HA PHE 86 -12.413 -1.395 0.101 708 HB2 PHE 86 1HB PHE 86 -13.473 -0.292 -2.504 709 HB3 PHE 86 2HB PHE 86 -11.759 -0.545 -2.189 710 HD1 PHE 86 2HD PHE 86 -14.867 -2.539 -1.624 711 HD2 PHE 86 1HD PHE 86 -10.939 -2.392 -3.257 712 HE1 PHE 86 2HE PHE 86 -15.084 -4.880 -2.349 713 HE2 PHE 86 1HE PHE 86 -11.150 -4.732 -3.985 714 HZ PHE 86 HZ PHE 86 -13.224 -5.980 -3.531 715 H ALA 87 H ALA 87 -14.468 1.185 0.439 716 HA ALA 87 HA ALA 87 -12.348 3.205 0.378 717 HB1 ALA 87 1HB ALA 87 -14.710 4.450 1.149 718 HB2 ALA 87 2HB ALA 87 -13.990 4.446 -0.462 719 HB3 ALA 87 3HB ALA 87 -15.206 3.241 -0.036 720 H GLY 88 H GLY 88 -11.210 3.442 2.187 721 HA2 GLY 88 1HA GLY 88 -12.356 4.165 4.644 722 HA3 GLY 88 2HA GLY 88 -11.964 2.453 4.709 723 H ASN 89 H ASN 89 -10.253 2.386 6.046 724 HA ASN 89 HA ASN 89 -7.987 4.173 5.467 725 HB2 ASN 89 1HB ASN 89 -8.797 4.477 7.719 726 HB3 ASN 89 2HB ASN 89 -8.762 2.741 8.015 727 HD21 ASN 89 1HD2 ASN 89 -6.512 5.187 6.759 728 HD22 ASN 89 2HD2 ASN 89 -5.183 4.719 7.759 729 H TYR 90 H TYR 90 -6.418 3.244 4.345 730 HA TYR 90 HA TYR 90 -6.066 0.345 4.473 731 HB2 TYR 90 1HB TYR 90 -5.138 2.471 2.559 732 HB3 TYR 90 2HB TYR 90 -4.410 0.868 2.557 733 HD1 TYR 90 2HD TYR 90 -7.901 2.210 2.760 734 HD2 TYR 90 1HD TYR 90 -5.198 -0.478 0.868 735 HE1 TYR 90 2HE TYR 90 -9.727 1.389 1.331 736 HE2 TYR 90 1HE TYR 90 -7.017 -1.305 -0.567 737 HH TYR 90 HH TYR 90 -10.322 -0.475 -0.007 738 H ARG 91 H ARG 91 -4.016 -0.613 4.828 739 HA ARG 91 HA ARG 91 -1.967 1.111 6.022 740 HB2 ARG 91 1HB ARG 91 -3.249 0.278 7.902 741 HB3 ARG 91 2HB ARG 91 -3.130 -1.369 7.297 742 HG2 ARG 91 1HG ARG 91 -1.576 -1.187 9.059 743 HG3 ARG 91 2HG ARG 91 -0.635 -1.168 7.566 744 HD2 ARG 91 1HD ARG 91 0.339 0.578 8.677 745 HD3 ARG 91 2HD ARG 91 -0.932 1.436 7.806 746 HE ARG 91 HE ARG 91 -0.809 0.924 10.666 747 HH11 ARG 91 2HH1 ARG 91 -2.655 2.060 7.942 748 HH12 ARG 91 1HH1 ARG 91 -3.781 2.951 8.911 749 HH21 ARG 91 2HH2 ARG 91 -2.285 2.094 11.953 750 HH22 ARG 91 1HH2 ARG 91 -3.569 2.971 11.192 751 H CYS 92 H CYS 92 -0.074 0.725 5.100 752 HA CYS 92 HA CYS 92 0.391 -1.923 3.899 753 HB2 CYS 92 1HB CYS 92 0.384 -0.191 2.219 754 HB3 CYS 92 2HB CYS 92 1.503 0.788 3.160 755 HG CYS 92 HG CYS 92 3.357 -0.005 1.527 756 H GLU 93 H GLU 93 2.201 -3.064 4.400 757 HA GLU 93 HA GLU 93 4.216 -1.811 6.120 758 HB2 GLU 93 1HB GLU 93 2.630 -4.291 6.760 759 HB3 GLU 93 2HB GLU 93 4.193 -3.969 7.497 760 HG2 GLU 93 1HG GLU 93 3.239 -1.767 8.270 761 HG3 GLU 93 2HG GLU 93 1.665 -2.371 7.757 762 H VAL 94 H VAL 94 6.179 -2.203 5.360 763 HA VAL 94 HA VAL 94 6.664 -4.717 3.906 764 HB VAL 94 HB VAL 94 6.487 -2.929 2.261 765 HG11 VAL 94 1HG1 VAL 94 7.533 -1.304 4.188 766 HG12 VAL 94 2HG1 VAL 94 8.901 -1.499 3.091 767 HG13 VAL 94 3HG1 VAL 94 7.365 -0.879 2.485 768 HG21 VAL 94 1HG2 VAL 94 8.164 -3.784 1.052 769 HG22 VAL 94 2HG2 VAL 94 9.389 -3.215 2.186 770 HG23 VAL 94 3HG2 VAL 94 8.545 -4.733 2.489 771 H THR 95 H THR 95 7.930 -5.835 5.255 772 HA THR 95 HA THR 95 9.995 -4.468 6.798 773 HB THR 95 HB THR 95 9.446 -7.426 6.880 774 HG1 THR 95 1HG THR 95 7.901 -5.308 7.866 775 HG21 THR 95 1HG2 THR 95 10.037 -6.002 9.353 776 HG22 THR 95 2HG2 THR 95 11.309 -5.827 8.143 777 HG23 THR 95 3HG2 THR 95 10.801 -7.433 8.664 778 H TYR 96 H TYR 96 12.047 -4.389 6.173 779 HA TYR 96 HA TYR 96 12.955 -6.289 4.112 780 HB2 TYR 96 1HB TYR 96 12.833 -3.863 3.444 781 HB3 TYR 96 2HB TYR 96 14.081 -3.535 4.641 782 HD1 TYR 96 2HD TYR 96 13.800 -6.415 2.300 783 HD2 TYR 96 1HD TYR 96 15.929 -2.890 3.368 784 HE1 TYR 96 2HE TYR 96 15.530 -6.964 0.640 785 HE2 TYR 96 1HE TYR 96 17.664 -3.429 1.710 786 HH TYR 96 HH TYR 96 17.257 -5.705 -0.703 787 H LYS 97 H LYS 97 15.402 -6.572 4.134 788 HA LYS 97 HA LYS 97 16.178 -7.747 6.554 789 HB2 LYS 97 1HB LYS 97 18.230 -6.824 4.583 790 HB3 LYS 97 2HB LYS 97 18.153 -8.330 5.488 791 HG2 LYS 97 1HG LYS 97 16.640 -7.552 3.020 792 HG3 LYS 97 2HG LYS 97 17.716 -8.928 3.271 793 HD2 LYS 97 1HD LYS 97 15.915 -9.515 5.128 794 HD3 LYS 97 2HD LYS 97 14.877 -8.555 4.071 795 HE2 LYS 97 1HE LYS 97 15.385 -9.993 2.200 796 HE3 LYS 97 2HE LYS 97 16.552 -10.895 3.166 797 HZ1 LYS 97 1HZ LYS 97 14.879 -11.871 4.418 798 HZ2 LYS 97 2HZ LYS 97 14.230 -11.876 2.856 799 HZ3 LYS 97 3HZ LYS 97 13.720 -10.719 3.980 800 H ASP 98 H ASP 98 17.203 -4.681 5.070 801 HA ASP 98 HA ASP 98 18.950 -3.910 7.142 802 HB2 ASP 98 1HB ASP 98 17.422 -2.155 5.208 803 HB3 ASP 98 2HB ASP 98 18.817 -1.662 6.163 804 H LYS 99 H LYS 99 15.875 -2.289 6.381 805 HA LYS 99 HA LYS 99 15.221 -2.273 9.240 806 HB2 LYS 99 1HB LYS 99 15.148 0.159 7.443 807 HB3 LYS 99 2HB LYS 99 14.567 0.100 9.102 808 HG2 LYS 99 1HG LYS 99 16.694 0.001 9.987 809 HG3 LYS 99 2HG LYS 99 17.396 -0.631 8.496 810 HD2 LYS 99 1HD LYS 99 18.142 1.569 8.527 811 HD3 LYS 99 2HD LYS 99 16.718 1.655 7.488 812 HE2 LYS 99 1HE LYS 99 16.346 3.442 8.881 813 HE3 LYS 99 2HE LYS 99 15.485 2.167 9.743 814 HZ1 LYS 99 1HZ LYS 99 17.939 3.562 10.457 815 HZ2 LYS 99 2HZ LYS 99 17.881 1.913 10.827 816 HZ3 LYS 99 3HZ LYS 99 16.707 2.961 11.448 817 H PHE 100 H PHE 100 12.927 -1.473 9.590 818 HA PHE 100 HA PHE 100 11.217 -2.515 7.430 819 HB2 PHE 100 1HB PHE 100 10.800 -3.979 9.163 820 HB3 PHE 100 2HB PHE 100 11.088 -2.762 10.401 821 HD1 PHE 100 1HD PHE 100 8.735 -3.081 7.519 822 HD2 PHE 100 2HD PHE 100 9.237 -2.373 11.686 823 HE1 PHE 100 1HE PHE 100 6.308 -2.752 7.752 824 HE2 PHE 100 2HE PHE 100 6.811 -2.043 11.926 825 HZ PHE 100 HZ PHE 100 5.343 -2.234 9.958 826 H ASP 101 H ASP 101 9.823 -1.163 6.512 827 HA ASP 101 HA ASP 101 9.208 1.361 7.906 828 HB2 ASP 101 1HB ASP 101 10.635 1.524 5.814 829 HB3 ASP 101 2HB ASP 101 9.226 0.972 4.912 830 H SER 102 H SER 102 7.106 2.259 7.583 831 HA SER 102 HA SER 102 5.079 0.547 6.382 832 HB2 SER 102 1HB SER 102 4.986 -0.364 8.559 833 HB3 SER 102 2HB SER 102 5.202 1.213 9.320 834 HG SER 102 HG SER 102 3.085 0.990 9.484 835 H CYS 103 H CYS 103 2.997 1.614 6.169 836 HA CYS 103 HA CYS 103 2.836 4.443 6.723 837 HB2 CYS 103 1HB CYS 103 2.550 5.135 4.396 838 HB3 CYS 103 2HB CYS 103 4.138 4.415 4.634 839 HG CYS 103 HG CYS 103 3.491 1.988 3.440 840 H SER 104 H SER 104 0.727 5.353 6.076 841 HA SER 104 HA SER 104 -1.355 3.348 5.606 842 HB2 SER 104 1HB SER 104 -2.715 4.171 7.449 843 HB3 SER 104 2HB SER 104 -1.148 3.648 8.065 844 HG SER 104 HG SER 104 -2.072 5.805 8.736 845 H PHE 105 H PHE 105 -3.397 4.262 4.927 846 HA PHE 105 HA PHE 105 -3.509 7.065 4.249 847 HB2 PHE 105 1HB PHE 105 -4.042 6.330 1.777 848 HB3 PHE 105 2HB PHE 105 -2.380 6.599 2.291 849 HD1 PHE 105 1HD PHE 105 -1.022 4.570 3.018 850 HD2 PHE 105 2HD PHE 105 -4.694 4.284 0.885 851 HE1 PHE 105 1HE PHE 105 -0.436 2.284 2.324 852 HE2 PHE 105 2HE PHE 105 -4.115 1.997 0.188 853 HZ PHE 105 HZ PHE 105 -1.984 0.993 0.908 854 H ASP 106 H ASP 106 -5.567 7.293 2.654 855 HA ASP 106 HA ASP 106 -7.689 5.542 3.697 856 HB2 ASP 106 1HB ASP 106 -9.140 7.665 3.714 857 HB3 ASP 106 2HB ASP 106 -7.975 7.464 5.020 858 H LEU 107 H LEU 107 -9.155 4.877 2.232 859 HA LEU 107 HA LEU 107 -8.953 6.010 -0.480 860 HB2 LEU 107 1HB LEU 107 -8.310 3.542 0.066 861 HB3 LEU 107 2HB LEU 107 -10.054 3.289 0.077 862 HG LEU 107 HG LEU 107 -8.453 4.336 -2.258 863 HD11 LEU 107 1HD1 LEU 107 -7.933 2.023 -1.890 864 HD12 LEU 107 2HD1 LEU 107 -9.022 2.145 -3.271 865 HD13 LEU 107 3HD1 LEU 107 -9.641 1.623 -1.704 866 HD21 LEU 107 1HD2 LEU 107 -10.856 3.458 -3.210 867 HD22 LEU 107 2HD2 LEU 107 -10.448 5.142 -2.878 868 HD23 LEU 107 3HD2 LEU 107 -11.315 4.190 -1.672 869 H GLU 108 H GLU 108 -10.808 6.498 -1.609 870 HA GLU 108 HA GLU 108 -13.322 6.342 -0.079 871 HB2 GLU 108 1HB GLU 108 -12.078 8.569 -1.602 872 HB3 GLU 108 2HB GLU 108 -13.825 8.403 -1.714 873 HG2 GLU 108 1HG GLU 108 -12.364 8.520 0.907 874 HG3 GLU 108 2HG GLU 108 -12.960 9.953 0.071 875 H VAL 109 H VAL 109 -15.265 6.065 -1.282 876 HA VAL 109 HA VAL 109 -14.918 5.136 -4.048 877 HB VAL 109 HB VAL 109 -16.489 3.666 -1.927 878 HG11 VAL 109 1HG1 VAL 109 -17.156 3.785 -4.522 879 HG12 VAL 109 2HG1 VAL 109 -15.986 2.465 -4.578 880 HG13 VAL 109 3HG1 VAL 109 -17.398 2.350 -3.527 881 HG21 VAL 109 1HG2 VAL 109 -14.782 2.212 -1.696 882 HG22 VAL 109 2HG2 VAL 109 -14.317 2.321 -3.393 883 HG23 VAL 109 3HG2 VAL 109 -13.810 3.572 -2.258 884 H HIS 110 H HIS 110 -16.271 6.155 -5.359 885 HA HIS 110 HA HIS 110 -18.686 7.383 -4.226 886 HB2 HIS 110 1HB HIS 110 -17.153 7.975 -6.763 887 HB3 HIS 110 2HB HIS 110 -18.675 8.748 -6.332 888 HD1 HIS 110 1HD HIS 110 -17.232 10.997 -6.417 889 HD2 HIS 110 2HD HIS 110 -16.308 8.358 -3.343 890 HE1 HIS 110 1HE HIS 110 -15.901 12.338 -4.757 891 HE2 HIS 110 2HE HIS 110 -15.280 10.699 -2.948 892 H GLU 111 H GLU 111 -20.705 7.061 -5.129 893 HA GLU 111 HA GLU 111 -21.206 4.533 -6.265 894 HB2 GLU 111 1HB GLU 111 -22.965 6.982 -6.073 895 HB3 GLU 111 2HB GLU 111 -23.531 5.398 -6.582 896 HG2 GLU 111 1HG GLU 111 -22.496 4.640 -4.297 897 HG3 GLU 111 2HG GLU 111 -22.706 6.342 -3.886 898 H SER 112 H SER 112 -21.203 3.844 -8.303 899 HA SER 112 HA SER 112 -20.410 5.602 -10.418 900 HB2 SER 112 1HB SER 112 -19.602 3.307 -10.386 901 HB3 SER 112 2HB SER 112 -21.254 2.694 -10.461 902 HG SER 112 HG SER 112 -20.408 2.661 -12.522 903 H THR 113 H THR 113 -21.892 7.059 -11.057 904 HA THR 113 HA THR 113 -24.236 6.102 -12.437 905 HB THR 113 HB THR 113 -24.625 8.008 -10.122 906 HG1 THR 113 1HG THR 113 -24.854 5.229 -10.348 907 HG21 THR 113 1HG2 THR 113 -26.440 6.856 -12.216 908 HG22 THR 113 2HG2 THR 113 -26.269 8.531 -11.691 909 HG23 THR 113 3HG2 THR 113 -27.072 7.358 -10.648 910 H GLY 114 H GLY 114 -24.775 7.418 -14.096 911 HA2 GLY 114 1HA GLY 114 -23.144 9.272 -15.182 912 HA3 GLY 114 2HA GLY 114 -24.887 9.331 -15.397 913 H THR 115 H THR 115 -22.851 11.484 -15.176 914 HA THR 115 HA THR 115 -24.102 12.950 -12.947 915 HB THR 115 HB THR 115 -21.243 13.305 -13.860 916 HG1 THR 115 1HG THR 115 -21.944 12.270 -11.342 917 HG21 THR 115 1HG2 THR 115 -23.027 14.761 -12.046 918 HG22 THR 115 2HG2 THR 115 -21.537 15.284 -12.833 919 HG23 THR 115 3HG2 THR 115 -21.465 14.345 -11.342 920 H THR 116 H THR 116 -24.885 14.931 -13.405 921 HA THR 116 HA THR 116 -25.074 15.732 -16.148 922 HB THR 116 HB THR 116 -26.302 17.720 -15.213 923 HG1 THR 116 1HG THR 116 -25.228 17.695 -13.144 924 HG21 THR 116 1HG2 THR 116 -28.072 16.398 -15.494 925 HG22 THR 116 2HG2 THR 116 -27.836 15.742 -13.874 926 HG23 THR 116 3HG2 THR 116 -27.059 14.975 -15.259 927 HA PRO 117 HA PRO 117 -21.654 18.476 -16.445 928 HB2 PRO 117 1HB PRO 117 -22.617 20.255 -18.255 929 HB3 PRO 117 2HB PRO 117 -22.131 18.612 -18.688 930 HG2 PRO 117 1HG PRO 117 -24.871 19.704 -18.173 931 HG3 PRO 117 2HG PRO 117 -24.328 18.599 -19.450 932 HD2 PRO 117 1HD PRO 117 -25.609 17.737 -17.226 933 HD3 PRO 117 2HD PRO 117 -24.380 16.763 -18.059 934 H ASN 118 H ASN 118 -21.188 20.931 -16.477 935 HA ASN 118 HA ASN 118 -23.027 22.357 -14.682 936 HB2 ASN 118 1HB ASN 118 -20.027 22.455 -14.364 937 HB3 ASN 118 2HB ASN 118 -21.252 23.080 -13.264 938 HD21 ASN 118 1HD2 ASN 118 -22.489 21.604 -12.039 939 HD22 ASN 118 2HD2 ASN 118 -21.904 20.011 -11.713 940 H ILE 119 H ILE 119 -22.165 24.746 -14.465 941 HA ILE 119 HA ILE 119 -21.942 25.736 -17.201 942 HB ILE 119 HB ILE 119 -22.489 27.232 -14.633 943 HG12 ILE 119 1HG1 ILE 119 -24.410 26.618 -16.879 944 HG13 ILE 119 2HG1 ILE 119 -24.243 25.584 -15.465 945 HG21 ILE 119 1HG2 ILE 119 -23.155 28.413 -17.253 946 HG22 ILE 119 2HG2 ILE 119 -22.551 29.175 -15.782 947 HG23 ILE 119 3HG2 ILE 119 -21.440 28.321 -16.853 948 HD11 ILE 119 1HD1 ILE 119 -25.324 27.033 -14.114 949 HD12 ILE 119 2HD1 ILE 119 -24.717 28.454 -14.964 950 HD13 ILE 119 3HD1 ILE 119 -26.053 27.525 -15.642 951 H ASP 120 H ASP 120 -20.036 26.275 -18.008 952 HA ASP 120 HA ASP 120 -17.744 26.632 -16.278 953 HB2 ASP 120 1HB ASP 120 -18.187 26.278 -19.200 954 HB3 ASP 120 2HB ASP 120 -16.717 27.108 -18.697 955 H SER 121 H SER 121 -16.168 28.459 -17.031 956 HA SER 121 HA SER 121 -17.694 30.957 -16.871 957 HB2 SER 121 1HB SER 121 -14.776 30.404 -16.282 958 HB3 SER 121 2HB SER 121 -15.575 31.963 -16.086 959 HG SER 121 HG SER 121 -16.451 31.286 -14.292 960 H GLY 122 H GLY 122 -16.680 32.875 -17.982 961 HA2 GLY 122 1HA GLY 122 -16.068 32.100 -20.741 962 HA3 GLY 122 2HA GLY 122 -16.620 33.681 -20.209 963 HA PRO 123 HA PRO 123 -11.915 33.486 -20.834 964 HB2 PRO 123 1HB PRO 123 -11.781 34.953 -23.114 965 HB3 PRO 123 2HB PRO 123 -11.938 33.193 -23.112 966 HG2 PRO 123 1HG PRO 123 -14.048 35.282 -23.492 967 HG3 PRO 123 2HG PRO 123 -13.803 33.765 -24.377 968 HD2 PRO 123 1HD PRO 123 -15.655 34.028 -22.420 969 HD3 PRO 123 2HD PRO 123 -14.810 32.499 -22.735 970 H SER 124 H SER 124 -11.616 34.848 -19.098 971 HA SER 124 HA SER 124 -12.426 37.637 -19.305 972 HB2 SER 124 1HB SER 124 -12.666 36.232 -17.183 973 HB3 SER 124 2HB SER 124 -10.916 36.371 -17.018 974 HG SER 124 HG SER 124 -11.485 38.134 -15.986 975 H SER 125 H SER 125 -10.850 39.342 -18.714 976 HA SER 125 HA SER 125 -8.678 39.386 -20.450 977 HB2 SER 125 1HB SER 125 -9.874 41.344 -19.268 978 HB3 SER 125 2HB SER 125 -8.758 41.044 -17.936 979 HG SER 125 HG SER 125 -8.212 41.915 -20.556 980 H GLY 126 H GLY 126 -6.364 39.663 -19.866 981 HA2 GLY 126 1HA GLY 126 -5.299 37.402 -18.687 982 HA3 GLY 126 2HA GLY 126 -4.417 38.906 -18.909 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 14.541 23.639 16.718 2 HA2 GLY 1 1HA GLY 1 13.636 22.274 14.340 3 HA3 GLY 1 2HA GLY 1 15.252 22.950 14.195 4 H SER 2 H SER 2 13.507 20.256 15.057 5 HA SER 2 HA SER 2 15.519 19.271 16.942 6 HB2 SER 2 1HB SER 2 12.903 18.016 16.071 7 HB3 SER 2 2HB SER 2 13.965 17.416 17.345 8 HG SER 2 HG SER 2 13.549 19.300 18.516 9 H SER 3 H SER 3 17.277 18.598 15.851 10 HA SER 3 HA SER 3 17.303 17.490 13.277 11 HB2 SER 3 1HB SER 3 19.273 17.433 15.555 12 HB3 SER 3 2HB SER 3 19.602 16.596 14.037 13 HG SER 3 HG SER 3 18.900 19.338 14.184 14 H GLY 4 H GLY 4 17.289 15.416 12.506 15 HA2 GLY 4 1HA GLY 4 17.597 13.063 13.948 16 HA3 GLY 4 2HA GLY 4 15.888 13.466 14.020 17 H SER 5 H SER 5 18.167 13.963 11.354 18 HA SER 5 HA SER 5 16.315 12.641 9.553 19 HB2 SER 5 1HB SER 5 18.900 14.140 9.097 20 HB3 SER 5 2HB SER 5 17.987 13.370 7.799 21 HG SER 5 HG SER 5 17.064 15.418 9.537 22 H SER 6 H SER 6 16.422 10.467 9.966 23 HA SER 6 HA SER 6 19.023 9.144 9.952 24 HB2 SER 6 1HB SER 6 16.977 8.644 11.541 25 HB3 SER 6 2HB SER 6 16.440 7.649 10.187 26 HG SER 6 HG SER 6 17.754 6.217 10.970 27 H GLY 7 H GLY 7 15.876 8.690 8.320 28 HA2 GLY 7 1HA GLY 7 16.278 8.753 5.760 29 HA3 GLY 7 2HA GLY 7 17.298 7.366 6.114 30 H ILE 8 H ILE 8 14.597 7.923 4.675 31 HA ILE 8 HA ILE 8 13.073 5.774 5.993 32 HB ILE 8 HB ILE 8 12.068 7.898 4.095 33 HG12 ILE 8 1HG1 ILE 8 11.246 7.616 6.965 34 HG13 ILE 8 2HG1 ILE 8 12.738 8.460 6.565 35 HG21 ILE 8 1HG2 ILE 8 10.260 6.183 5.712 36 HG22 ILE 8 2HG2 ILE 8 10.000 6.934 4.138 37 HG23 ILE 8 3HG2 ILE 8 10.999 5.486 4.271 38 HD11 ILE 8 1HD1 ILE 8 10.104 9.457 6.558 39 HD12 ILE 8 2HD1 ILE 8 11.594 10.292 6.117 40 HD13 ILE 8 3HD1 ILE 8 10.664 9.438 4.886 41 H LEU 9 H LEU 9 13.808 3.942 5.042 42 HA LEU 9 HA LEU 9 14.784 3.463 2.568 43 HB2 LEU 9 1HB LEU 9 13.100 1.827 4.399 44 HB3 LEU 9 2HB LEU 9 13.441 1.207 2.785 45 HG LEU 9 HG LEU 9 15.861 1.366 3.277 46 HD11 LEU 9 1HD1 LEU 9 16.433 1.568 5.747 47 HD12 LEU 9 2HD1 LEU 9 14.835 2.285 5.946 48 HD13 LEU 9 3HD1 LEU 9 16.023 3.057 4.896 49 HD21 LEU 9 1HD2 LEU 9 14.804 -0.756 3.568 50 HD22 LEU 9 2HD2 LEU 9 14.161 -0.283 5.141 51 HD23 LEU 9 3HD2 LEU 9 15.898 -0.507 4.929 52 H PHE 10 H PHE 10 11.323 3.408 3.402 53 HA PHE 10 HA PHE 10 10.362 2.852 0.832 54 HB2 PHE 10 1HB PHE 10 9.216 3.150 3.284 55 HB3 PHE 10 2HB PHE 10 8.682 4.625 2.486 56 HD1 PHE 10 2HD PHE 10 9.216 1.214 1.104 57 HD2 PHE 10 1HD PHE 10 6.441 4.310 2.015 58 HE1 PHE 10 2HE PHE 10 7.437 -0.051 -0.031 59 HE2 PHE 10 1HE PHE 10 4.658 3.050 0.882 60 HZ PHE 10 HZ PHE 10 5.155 0.867 -0.144 61 H ILE 11 H ILE 11 11.752 4.177 -0.503 62 HA ILE 11 HA ILE 11 11.891 6.952 -0.458 63 HB ILE 11 HB ILE 11 13.270 5.416 -1.894 64 HG12 ILE 11 1HG1 ILE 11 12.097 7.519 -3.666 65 HG13 ILE 11 2HG1 ILE 11 12.856 8.013 -2.156 66 HG21 ILE 11 1HG2 ILE 11 10.779 5.452 -3.589 67 HG22 ILE 11 2HG2 ILE 11 12.361 4.919 -4.156 68 HG23 ILE 11 3HG2 ILE 11 11.551 4.047 -2.854 69 HD11 ILE 11 1HD1 ILE 11 14.682 6.273 -3.284 70 HD12 ILE 11 2HD1 ILE 11 14.057 7.195 -4.651 71 HD13 ILE 11 3HD1 ILE 11 14.768 8.034 -3.272 72 H GLU 12 H GLU 12 9.443 4.831 -1.824 73 HA GLU 12 HA GLU 12 7.877 7.209 -2.583 74 HB2 GLU 12 1HB GLU 12 8.623 5.340 -4.309 75 HB3 GLU 12 2HB GLU 12 7.217 4.506 -3.660 76 HG2 GLU 12 1HG GLU 12 6.298 5.602 -5.442 77 HG3 GLU 12 2HG GLU 12 6.006 6.761 -4.146 78 H LYS 13 H LYS 13 5.582 7.124 -2.236 79 HA LYS 13 HA LYS 13 4.615 5.091 -0.376 80 HB2 LYS 13 1HB LYS 13 4.668 8.052 0.203 81 HB3 LYS 13 2HB LYS 13 3.624 6.928 1.061 82 HG2 LYS 13 1HG LYS 13 5.352 5.972 2.202 83 HG3 LYS 13 2HG LYS 13 6.530 6.326 0.936 84 HD2 LYS 13 1HD LYS 13 6.033 8.815 1.615 85 HD3 LYS 13 2HD LYS 13 5.506 8.073 3.128 86 HE2 LYS 13 1HE LYS 13 7.735 6.873 3.156 87 HE3 LYS 13 2HE LYS 13 8.222 7.937 1.837 88 HZ1 LYS 13 1HZ LYS 13 8.941 9.168 3.576 89 HZ2 LYS 13 2HZ LYS 13 7.798 8.548 4.657 90 HZ3 LYS 13 3HZ LYS 13 7.349 9.739 3.544 91 HA PRO 14 HA PRO 14 1.017 5.457 -2.897 92 HB2 PRO 14 1HB PRO 14 -0.754 4.222 -1.251 93 HB3 PRO 14 2HB PRO 14 0.480 3.346 -2.164 94 HG2 PRO 14 1HG PRO 14 0.494 4.197 0.706 95 HG3 PRO 14 2HG PRO 14 1.006 2.656 -0.006 96 HD2 PRO 14 1HD PRO 14 2.766 4.586 0.707 97 HD3 PRO 14 2HD PRO 14 3.050 3.494 -0.663 98 H GLN 15 H GLN 15 0.013 7.343 -3.181 99 HA GLN 15 HA GLN 15 -0.871 8.903 -0.890 100 HB2 GLN 15 1HB GLN 15 -0.711 9.482 -3.843 101 HB3 GLN 15 2HB GLN 15 -1.473 10.585 -2.706 102 HG2 GLN 15 1HG GLN 15 1.405 9.816 -2.944 103 HG3 GLN 15 2HG GLN 15 0.675 11.421 -2.935 104 HE21 GLN 15 1HE2 GLN 15 2.445 9.305 -1.170 105 HE22 GLN 15 2HE2 GLN 15 2.112 9.894 0.419 106 H GLY 16 H GLY 16 -2.197 6.359 -1.901 107 HA2 GLY 16 1HA GLY 16 -4.320 5.573 -2.372 108 HA3 GLY 16 2HA GLY 16 -4.773 6.768 -1.166 109 H GLY 17 H GLY 17 -6.796 6.888 -2.365 110 HA2 GLY 17 1HA GLY 17 -7.023 9.166 -3.926 111 HA3 GLY 17 2HA GLY 17 -6.873 7.823 -5.050 112 H THR 18 H THR 18 -8.968 8.138 -5.845 113 HA THR 18 HA THR 18 -11.051 7.032 -4.111 114 HB THR 18 HB THR 18 -11.619 9.438 -5.837 115 HG1 THR 18 1HG THR 18 -11.729 10.368 -3.515 116 HG21 THR 18 1HG2 THR 18 -13.540 9.557 -4.112 117 HG22 THR 18 2HG2 THR 18 -13.120 7.881 -3.759 118 HG23 THR 18 3HG2 THR 18 -13.626 8.339 -5.384 119 H VAL 19 H VAL 19 -11.905 5.344 -5.115 120 HA VAL 19 HA VAL 19 -11.980 5.340 -8.061 121 HB VAL 19 HB VAL 19 -10.567 3.569 -7.105 122 HG11 VAL 19 1HG1 VAL 19 -11.820 3.344 -4.975 123 HG12 VAL 19 2HG1 VAL 19 -13.096 2.504 -5.857 124 HG13 VAL 19 3HG1 VAL 19 -11.482 1.800 -5.758 125 HG21 VAL 19 1HG2 VAL 19 -12.323 1.658 -8.039 126 HG22 VAL 19 2HG2 VAL 19 -12.873 3.139 -8.823 127 HG23 VAL 19 3HG2 VAL 19 -11.203 2.607 -9.018 128 H LYS 20 H LYS 20 -13.863 4.916 -9.113 129 HA LYS 20 HA LYS 20 -16.301 5.268 -7.660 130 HB2 LYS 20 1HB LYS 20 -15.719 6.029 -10.067 131 HB3 LYS 20 2HB LYS 20 -16.146 4.386 -10.529 132 HG2 LYS 20 1HG LYS 20 -18.056 5.762 -10.863 133 HG3 LYS 20 2HG LYS 20 -18.370 4.739 -9.459 134 HD2 LYS 20 1HD LYS 20 -19.113 6.909 -8.874 135 HD3 LYS 20 2HD LYS 20 -17.578 6.674 -8.034 136 HE2 LYS 20 1HE LYS 20 -17.348 8.805 -8.907 137 HE3 LYS 20 2HE LYS 20 -16.546 7.810 -10.122 138 HZ1 LYS 20 1HZ LYS 20 -19.400 8.333 -10.469 139 HZ2 LYS 20 2HZ LYS 20 -18.183 8.168 -11.632 140 HZ3 LYS 20 3HZ LYS 20 -18.334 9.613 -10.765 141 H VAL 21 H VAL 21 -18.101 3.814 -7.632 142 HA VAL 21 HA VAL 21 -17.451 1.196 -6.860 143 HB VAL 21 HB VAL 21 -20.111 2.377 -7.663 144 HG11 VAL 21 1HG1 VAL 21 -20.496 0.185 -5.956 145 HG12 VAL 21 2HG1 VAL 21 -20.946 0.318 -7.657 146 HG13 VAL 21 3HG1 VAL 21 -19.381 -0.361 -7.208 147 HG21 VAL 21 1HG2 VAL 21 -18.817 1.873 -4.987 148 HG22 VAL 21 2HG2 VAL 21 -19.186 3.438 -5.713 149 HG23 VAL 21 3HG2 VAL 21 -20.495 2.369 -5.207 150 H GLY 22 H GLY 22 -16.892 -0.489 -8.063 151 HA2 GLY 22 1HA GLY 22 -17.298 -2.113 -9.733 152 HA3 GLY 22 2HA GLY 22 -18.232 -0.924 -10.629 153 H GLU 23 H GLU 23 -15.861 0.977 -10.020 154 HA GLU 23 HA GLU 23 -14.552 0.555 -12.525 155 HB2 GLU 23 1HB GLU 23 -14.507 2.598 -10.390 156 HB3 GLU 23 2HB GLU 23 -13.024 2.439 -11.321 157 HG2 GLU 23 1HG GLU 23 -15.751 3.238 -12.244 158 HG3 GLU 23 2HG GLU 23 -14.214 4.076 -12.449 159 H ASP 24 H ASP 24 -11.965 1.052 -12.288 160 HA ASP 24 HA ASP 24 -10.881 -0.941 -10.417 161 HB2 ASP 24 1HB ASP 24 -9.506 -1.921 -12.106 162 HB3 ASP 24 2HB ASP 24 -11.144 -1.866 -12.752 163 H ILE 25 H ILE 25 -9.334 -0.106 -9.196 164 HA ILE 25 HA ILE 25 -7.762 2.149 -10.263 165 HB ILE 25 HB ILE 25 -9.204 2.989 -8.527 166 HG12 ILE 25 1HG1 ILE 25 -6.523 2.642 -7.199 167 HG13 ILE 25 2HG1 ILE 25 -6.710 3.627 -8.645 168 HG21 ILE 25 1HG2 ILE 25 -9.436 2.071 -6.384 169 HG22 ILE 25 2HG2 ILE 25 -9.480 0.684 -7.471 170 HG23 ILE 25 3HG2 ILE 25 -8.009 1.052 -6.571 171 HD11 ILE 25 1HD1 ILE 25 -7.221 4.304 -5.927 172 HD12 ILE 25 2HD1 ILE 25 -7.281 5.329 -7.362 173 HD13 ILE 25 3HD1 ILE 25 -8.716 4.439 -6.852 174 H THR 26 H THR 26 -5.576 2.314 -9.558 175 HA THR 26 HA THR 26 -4.451 -0.110 -8.337 176 HB THR 26 HB THR 26 -3.144 1.230 -10.702 177 HG1 THR 26 1HG THR 26 -4.396 0.097 -11.974 178 HG21 THR 26 1HG2 THR 26 -1.854 -0.840 -10.807 179 HG22 THR 26 2HG2 THR 26 -2.750 -1.482 -9.430 180 HG23 THR 26 3HG2 THR 26 -1.692 -0.087 -9.221 181 H PHE 27 H PHE 27 -3.020 0.306 -6.778 182 HA PHE 27 HA PHE 27 -2.146 3.077 -6.412 183 HB2 PHE 27 1HB PHE 27 -1.987 0.765 -4.468 184 HB3 PHE 27 2HB PHE 27 -1.676 2.461 -4.109 185 HD1 PHE 27 1HD PHE 27 -4.297 0.035 -5.040 186 HD2 PHE 27 2HD PHE 27 -3.434 3.945 -3.595 187 HE1 PHE 27 1HE PHE 27 -6.668 0.340 -4.459 188 HE2 PHE 27 2HE PHE 27 -5.804 4.255 -3.011 189 HZ PHE 27 HZ PHE 27 -7.424 2.452 -3.442 190 H ILE 28 H ILE 28 0.035 3.582 -5.921 191 HA ILE 28 HA ILE 28 1.958 1.584 -6.921 192 HB ILE 28 HB ILE 28 2.117 4.596 -7.074 193 HG12 ILE 28 1HG1 ILE 28 0.593 3.734 -8.726 194 HG13 ILE 28 2HG1 ILE 28 2.097 4.148 -9.540 195 HG21 ILE 28 1HG2 ILE 28 4.281 4.472 -7.684 196 HG22 ILE 28 2HG2 ILE 28 4.242 2.955 -6.787 197 HG23 ILE 28 3HG2 ILE 28 4.061 2.947 -8.541 198 HD11 ILE 28 1HD1 ILE 28 1.297 2.073 -10.404 199 HD12 ILE 28 2HD1 ILE 28 2.738 1.754 -9.437 200 HD13 ILE 28 3HD1 ILE 28 1.139 1.402 -8.782 201 H ALA 29 H ALA 29 3.695 1.080 -5.702 202 HA ALA 29 HA ALA 29 4.594 2.766 -3.548 203 HB1 ALA 29 1HB ALA 29 3.637 0.040 -2.741 204 HB2 ALA 29 2HB ALA 29 4.064 1.411 -1.718 205 HB3 ALA 29 3HB ALA 29 2.581 1.451 -2.671 206 H LYS 30 H LYS 30 6.717 2.688 -3.835 207 HA LYS 30 HA LYS 30 7.957 0.101 -4.507 208 HB2 LYS 30 1HB LYS 30 8.740 2.925 -5.204 209 HB3 LYS 30 2HB LYS 30 9.877 1.589 -5.327 210 HG2 LYS 30 1HG LYS 30 8.842 0.689 -7.138 211 HG3 LYS 30 2HG LYS 30 7.247 1.274 -6.658 212 HD2 LYS 30 1HD LYS 30 9.353 3.235 -7.458 213 HD3 LYS 30 2HD LYS 30 8.487 2.335 -8.705 214 HE2 LYS 30 1HE LYS 30 6.351 3.108 -7.627 215 HE3 LYS 30 2HE LYS 30 7.329 4.169 -6.614 216 HZ1 LYS 30 1HZ LYS 30 8.054 5.371 -8.495 217 HZ2 LYS 30 2HZ LYS 30 6.379 5.211 -8.663 218 HZ3 LYS 30 3HZ LYS 30 7.417 4.236 -9.576 219 H VAL 31 H VAL 31 10.312 -0.012 -3.766 220 HA VAL 31 HA VAL 31 10.772 1.349 -1.220 221 HB VAL 31 HB VAL 31 9.650 -0.747 -0.617 222 HG11 VAL 31 1HG1 VAL 31 11.896 -2.010 -2.175 223 HG12 VAL 31 2HG1 VAL 31 10.886 -2.896 -1.031 224 HG13 VAL 31 3HG1 VAL 31 10.162 -2.159 -2.460 225 HG21 VAL 31 1HG2 VAL 31 11.932 -1.716 0.535 226 HG22 VAL 31 2HG2 VAL 31 12.380 -0.050 0.171 227 HG23 VAL 31 3HG2 VAL 31 10.962 -0.385 1.165 228 H LYS 32 H LYS 32 12.899 1.693 -0.748 229 HA LYS 32 HA LYS 32 14.780 1.366 -2.886 230 HB2 LYS 32 1HB LYS 32 14.631 3.324 -1.244 231 HB3 LYS 32 2HB LYS 32 15.424 2.268 -0.083 232 HG2 LYS 32 1HG LYS 32 17.222 3.382 -0.942 233 HG3 LYS 32 2HG LYS 32 17.176 1.976 -2.008 234 HD2 LYS 32 1HD LYS 32 15.574 3.575 -3.403 235 HD3 LYS 32 2HD LYS 32 16.509 4.816 -2.567 236 HE2 LYS 32 1HE LYS 32 18.562 3.440 -3.347 237 HE3 LYS 32 2HE LYS 32 17.436 2.724 -4.500 238 HZ1 LYS 32 1HZ LYS 32 17.079 4.770 -5.529 239 HZ2 LYS 32 2HZ LYS 32 18.746 4.750 -5.246 240 HZ3 LYS 32 3HZ LYS 32 17.729 5.654 -4.241 241 H ALA 33 H ALA 33 15.944 -0.392 -3.254 242 HA ALA 33 HA ALA 33 16.627 -2.133 -0.974 243 HB1 ALA 33 1HB ALA 33 16.051 -3.970 -2.129 244 HB2 ALA 33 2HB ALA 33 15.095 -2.846 -3.096 245 HB3 ALA 33 3HB ALA 33 16.695 -3.343 -3.647 246 H GLU 34 H GLU 34 18.657 -3.320 -1.170 247 HA GLU 34 HA GLU 34 20.643 -1.893 -2.813 248 HB2 GLU 34 1HB GLU 34 21.085 -3.019 -0.043 249 HB3 GLU 34 2HB GLU 34 22.264 -2.152 -1.017 250 HG2 GLU 34 1HG GLU 34 20.932 -0.133 -0.884 251 HG3 GLU 34 2HG GLU 34 19.690 -0.992 0.025 252 H ASP 35 H ASP 35 19.955 -4.917 -1.079 253 HA ASP 35 HA ASP 35 21.900 -6.347 -2.701 254 HB2 ASP 35 1HB ASP 35 20.050 -7.648 -0.725 255 HB3 ASP 35 2HB ASP 35 21.677 -8.127 -1.201 256 H LEU 36 H LEU 36 21.295 -8.348 -3.810 257 HA LEU 36 HA LEU 36 18.667 -8.068 -5.093 258 HB2 LEU 36 1HB LEU 36 20.991 -9.687 -6.099 259 HB3 LEU 36 2HB LEU 36 19.563 -9.166 -6.991 260 HG LEU 36 HG LEU 36 21.730 -7.325 -5.979 261 HD11 LEU 36 1HD1 LEU 36 22.430 -8.932 -7.779 262 HD12 LEU 36 2HD1 LEU 36 22.557 -7.224 -8.199 263 HD13 LEU 36 3HD1 LEU 36 21.214 -8.186 -8.816 264 HD21 LEU 36 1HD2 LEU 36 20.507 -5.596 -6.709 265 HD22 LEU 36 2HD2 LEU 36 19.143 -6.707 -6.578 266 HD23 LEU 36 3HD2 LEU 36 19.941 -6.469 -8.133 267 H LEU 37 H LEU 37 20.888 -10.479 -3.741 268 HA LEU 37 HA LEU 37 19.425 -12.779 -4.095 269 HB2 LEU 37 1HB LEU 37 21.191 -11.904 -1.829 270 HB3 LEU 37 2HB LEU 37 20.474 -13.512 -1.891 271 HG LEU 37 HG LEU 37 22.804 -13.498 -2.658 272 HD11 LEU 37 1HD1 LEU 37 21.140 -15.113 -3.551 273 HD12 LEU 37 2HD1 LEU 37 22.476 -14.781 -4.654 274 HD13 LEU 37 3HD1 LEU 37 20.900 -14.039 -4.929 275 HD21 LEU 37 1HD2 LEU 37 23.465 -12.378 -4.674 276 HD22 LEU 37 2HD2 LEU 37 22.765 -11.188 -3.575 277 HD23 LEU 37 3HD2 LEU 37 21.823 -11.790 -4.940 278 H ARG 38 H ARG 38 19.054 -10.321 -1.585 279 HA ARG 38 HA ARG 38 16.863 -11.775 -0.353 280 HB2 ARG 38 1HB ARG 38 17.824 -8.994 0.316 281 HB3 ARG 38 2HB ARG 38 16.879 -10.077 1.330 282 HG2 ARG 38 1HG ARG 38 19.668 -10.728 0.428 283 HG3 ARG 38 2HG ARG 38 19.323 -9.832 1.909 284 HD2 ARG 38 1HD ARG 38 17.899 -11.728 2.653 285 HD3 ARG 38 2HD ARG 38 18.413 -12.623 1.224 286 HE ARG 38 HE ARG 38 19.923 -12.179 3.624 287 HH11 ARG 38 2HH1 ARG 38 20.114 -12.846 0.213 288 HH12 ARG 38 1HH1 ARG 38 21.678 -13.586 0.312 289 HH21 ARG 38 2HH2 ARG 38 21.982 -13.151 3.768 290 HH22 ARG 38 1HH2 ARG 38 22.739 -13.759 2.335 291 H LYS 39 H LYS 39 14.735 -10.955 -0.163 292 HA LYS 39 HA LYS 39 13.987 -8.736 -1.906 293 HB2 LYS 39 1HB LYS 39 13.754 -10.588 -3.403 294 HB3 LYS 39 2HB LYS 39 12.938 -11.552 -2.178 295 HG2 LYS 39 1HG LYS 39 11.114 -9.778 -2.228 296 HG3 LYS 39 2HG LYS 39 11.884 -9.196 -3.706 297 HD2 LYS 39 1HD LYS 39 11.116 -12.079 -3.370 298 HD3 LYS 39 2HD LYS 39 9.951 -10.876 -3.927 299 HE2 LYS 39 1HE LYS 39 11.641 -10.257 -5.705 300 HE3 LYS 39 2HE LYS 39 12.536 -11.700 -5.231 301 HZ1 LYS 39 1HZ LYS 39 10.352 -11.513 -6.966 302 HZ2 LYS 39 2HZ LYS 39 9.856 -12.409 -5.621 303 HZ3 LYS 39 3HZ LYS 39 11.209 -12.899 -6.511 304 HA PRO 40 HA PRO 40 11.517 -8.024 1.730 305 HB2 PRO 40 1HB PRO 40 10.363 -5.733 0.842 306 HB3 PRO 40 2HB PRO 40 12.023 -5.801 1.447 307 HG2 PRO 40 1HG PRO 40 11.036 -5.801 -1.379 308 HG3 PRO 40 2HG PRO 40 12.400 -4.916 -0.670 309 HD2 PRO 40 1HD PRO 40 12.726 -7.194 -2.097 310 HD3 PRO 40 2HD PRO 40 13.795 -6.749 -0.752 311 H THR 41 H THR 41 9.157 -7.462 2.125 312 HA THR 41 HA THR 41 7.397 -8.507 0.021 313 HB THR 41 HB THR 41 7.276 -9.405 2.907 314 HG1 THR 41 1HG THR 41 8.801 -10.699 2.152 315 HG21 THR 41 1HG2 THR 41 5.261 -9.293 0.974 316 HG22 THR 41 2HG2 THR 41 5.237 -10.206 2.483 317 HG23 THR 41 3HG2 THR 41 5.787 -10.976 0.996 318 H ILE 42 H ILE 42 5.407 -7.568 -0.087 319 HA ILE 42 HA ILE 42 4.851 -5.449 1.885 320 HB ILE 42 HB ILE 42 5.346 -4.573 -0.362 321 HG12 ILE 42 1HG1 ILE 42 2.400 -4.209 0.122 322 HG13 ILE 42 2HG1 ILE 42 3.588 -3.591 1.264 323 HG21 ILE 42 1HG2 ILE 42 2.807 -5.659 -1.447 324 HG22 ILE 42 2HG2 ILE 42 4.300 -5.223 -2.277 325 HG23 ILE 42 3HG2 ILE 42 4.202 -6.737 -1.378 326 HD11 ILE 42 1HD1 ILE 42 4.255 -2.822 -1.427 327 HD12 ILE 42 2HD1 ILE 42 2.617 -2.322 -1.005 328 HD13 ILE 42 3HD1 ILE 42 3.978 -1.821 -0.002 329 H LYS 43 H LYS 43 3.025 -5.591 3.014 330 HA LYS 43 HA LYS 43 0.922 -7.415 2.046 331 HB2 LYS 43 1HB LYS 43 2.187 -8.270 4.029 332 HB3 LYS 43 2HB LYS 43 1.628 -6.869 4.934 333 HG2 LYS 43 1HG LYS 43 0.058 -8.371 5.581 334 HG3 LYS 43 2HG LYS 43 -0.734 -7.753 4.130 335 HD2 LYS 43 1HD LYS 43 -0.918 -9.993 3.730 336 HD3 LYS 43 2HD LYS 43 0.657 -9.698 2.988 337 HE2 LYS 43 1HE LYS 43 0.747 -11.676 4.386 338 HE3 LYS 43 2HE LYS 43 1.750 -10.400 5.074 339 HZ1 LYS 43 1HZ LYS 43 -0.303 -11.796 6.314 340 HZ2 LYS 43 2HZ LYS 43 -0.864 -10.214 6.112 341 HZ3 LYS 43 3HZ LYS 43 0.585 -10.498 6.938 342 H TRP 44 H TRP 44 -0.852 -6.345 1.504 343 HA TRP 44 HA TRP 44 -1.344 -3.683 2.541 344 HB2 TRP 44 1HB TRP 44 -2.940 -5.326 0.563 345 HB3 TRP 44 2HB TRP 44 -3.182 -3.618 0.920 346 HD1 TRP 44 HD TRP 44 -0.528 -5.952 -0.650 347 HE1 TRP 44 1HE TRP 44 0.841 -4.578 -2.342 348 HE3 TRP 44 3HE TRP 44 -2.565 -1.342 0.209 349 HZ2 TRP 44 2HZ TRP 44 1.032 -1.895 -3.199 350 HZ3 TRP 44 3HZ TRP 44 -1.733 0.576 -1.089 351 HH2 TRP 44 HH TRP 44 0.029 0.303 -2.757 352 H PHE 45 H PHE 45 -2.800 -3.142 4.052 353 HA PHE 45 HA PHE 45 -4.692 -5.209 4.956 354 HB2 PHE 45 1HB PHE 45 -2.885 -3.443 6.586 355 HB3 PHE 45 2HB PHE 45 -4.369 -4.098 7.271 356 HD1 PHE 45 1HD PHE 45 -4.666 -6.595 7.344 357 HD2 PHE 45 2HD PHE 45 -0.945 -4.741 6.432 358 HE1 PHE 45 1HE PHE 45 -3.495 -8.692 7.878 359 HE2 PHE 45 2HE PHE 45 0.232 -6.836 6.963 360 HZ PHE 45 HZ PHE 45 -1.042 -8.815 7.686 361 H LYS 46 H LYS 46 -6.691 -4.479 5.749 362 HA LYS 46 HA LYS 46 -7.301 -1.651 5.195 363 HB2 LYS 46 1HB LYS 46 -8.210 -3.040 3.406 364 HB3 LYS 46 2HB LYS 46 -9.024 -4.060 4.584 365 HG2 LYS 46 1HG LYS 46 -10.646 -2.600 3.649 366 HG3 LYS 46 2HG LYS 46 -10.333 -2.058 5.299 367 HD2 LYS 46 1HD LYS 46 -8.679 -0.417 4.295 368 HD3 LYS 46 2HD LYS 46 -9.366 -0.836 2.724 369 HE2 LYS 46 1HE LYS 46 -10.342 1.210 3.779 370 HE3 LYS 46 2HE LYS 46 -11.518 -0.038 3.368 371 HZ1 LYS 46 1HZ LYS 46 -10.361 0.319 6.077 372 HZ2 LYS 46 2HZ LYS 46 -11.630 -0.709 5.638 373 HZ3 LYS 46 3HZ LYS 46 -11.846 0.968 5.591 374 H GLY 47 H GLY 47 -8.673 -0.611 6.603 375 HA2 GLY 47 1HA GLY 47 -9.806 -0.203 8.558 376 HA3 GLY 47 2HA GLY 47 -10.302 -1.889 8.520 377 H LYS 48 H LYS 48 -9.913 -2.706 10.470 378 HA LYS 48 HA LYS 48 -7.394 -2.016 11.816 379 HB2 LYS 48 1HB LYS 48 -9.401 -1.565 13.121 380 HB3 LYS 48 2HB LYS 48 -9.941 -3.225 12.908 381 HG2 LYS 48 1HG LYS 48 -8.493 -4.045 14.455 382 HG3 LYS 48 2HG LYS 48 -7.283 -2.798 14.147 383 HD2 LYS 48 1HD LYS 48 -8.354 -2.594 16.373 384 HD3 LYS 48 2HD LYS 48 -8.586 -1.169 15.357 385 HE2 LYS 48 1HE LYS 48 -10.785 -2.499 14.678 386 HE3 LYS 48 2HE LYS 48 -10.549 -3.196 16.280 387 HZ1 LYS 48 1HZ LYS 48 -11.073 -1.274 17.288 388 HZ2 LYS 48 2HZ LYS 48 -11.864 -0.925 15.834 389 HZ3 LYS 48 3HZ LYS 48 -10.315 -0.309 16.122 390 H TRP 49 H TRP 49 -9.509 -4.825 11.234 391 HA TRP 49 HA TRP 49 -7.141 -6.553 11.500 392 HB2 TRP 49 1HB TRP 49 -10.023 -7.444 11.632 393 HB3 TRP 49 2HB TRP 49 -8.590 -8.342 12.125 394 HD1 TRP 49 HD TRP 49 -10.741 -5.342 13.242 395 HE1 TRP 49 1HE TRP 49 -10.416 -5.019 15.775 396 HE3 TRP 49 3HE TRP 49 -7.084 -8.824 14.042 397 HZ2 TRP 49 2HZ TRP 49 -8.820 -6.097 17.839 398 HZ3 TRP 49 3HZ TRP 49 -6.212 -9.115 16.324 399 HH2 TRP 49 HH TRP 49 -7.063 -7.779 18.182 400 H MET 50 H MET 50 -9.936 -5.809 9.489 401 HA MET 50 HA MET 50 -9.935 -7.757 7.606 402 HB2 MET 50 1HB MET 50 -11.210 -5.449 7.763 403 HB3 MET 50 2HB MET 50 -9.977 -4.938 6.618 404 HG2 MET 50 1HG MET 50 -10.673 -7.042 5.292 405 HG3 MET 50 2HG MET 50 -12.126 -6.985 6.288 406 HE1 MET 50 1HE MET 50 -10.509 -4.518 3.047 407 HE2 MET 50 2HE MET 50 -10.348 -6.225 3.461 408 HE3 MET 50 3HE MET 50 -11.702 -5.681 2.469 409 H ASP 51 H ASP 51 -8.369 -8.695 6.489 410 HA ASP 51 HA ASP 51 -6.029 -7.090 5.707 411 HB2 ASP 51 1HB ASP 51 -5.373 -8.911 7.120 412 HB3 ASP 51 2HB ASP 51 -6.334 -10.057 6.189 413 H LEU 52 H LEU 52 -5.993 -6.493 3.652 414 HA LEU 52 HA LEU 52 -7.734 -7.469 1.677 415 HB2 LEU 52 1HB LEU 52 -5.111 -6.060 1.228 416 HB3 LEU 52 2HB LEU 52 -6.480 -6.135 0.121 417 HG LEU 52 HG LEU 52 -6.433 -4.694 2.773 418 HD11 LEU 52 1HD1 LEU 52 -6.869 -2.813 0.882 419 HD12 LEU 52 2HD1 LEU 52 -5.781 -3.899 0.019 420 HD13 LEU 52 3HD1 LEU 52 -5.285 -3.193 1.557 421 HD21 LEU 52 1HD2 LEU 52 -8.653 -5.142 2.570 422 HD22 LEU 52 2HD2 LEU 52 -8.574 -5.320 0.817 423 HD23 LEU 52 3HD2 LEU 52 -8.570 -3.712 1.541 424 H ALA 53 H ALA 53 -4.331 -8.180 2.354 425 HA ALA 53 HA ALA 53 -3.555 -9.666 0.230 426 HB1 ALA 53 1HB ALA 53 -2.294 -9.198 2.392 427 HB2 ALA 53 2HB ALA 53 -3.060 -10.657 3.022 428 HB3 ALA 53 3HB ALA 53 -2.002 -10.754 1.614 429 H SER 54 H SER 54 -5.830 -10.636 2.723 430 HA SER 54 HA SER 54 -6.027 -13.339 1.698 431 HB2 SER 54 1HB SER 54 -6.244 -13.160 4.063 432 HB3 SER 54 2HB SER 54 -7.432 -11.864 3.928 433 HG SER 54 HG SER 54 -7.886 -14.454 4.086 434 H LYS 55 H LYS 55 -7.683 -10.306 1.394 435 HA LYS 55 HA LYS 55 -10.111 -11.379 0.320 436 HB2 LYS 55 1HB LYS 55 -9.018 -8.571 0.080 437 HB3 LYS 55 2HB LYS 55 -10.682 -9.073 -0.188 438 HG2 LYS 55 1HG LYS 55 -9.309 -9.430 2.456 439 HG3 LYS 55 2HG LYS 55 -10.160 -7.947 2.020 440 HD2 LYS 55 1HD LYS 55 -12.172 -9.395 1.531 441 HD3 LYS 55 2HD LYS 55 -11.293 -10.725 2.288 442 HE2 LYS 55 1HE LYS 55 -11.577 -8.138 3.748 443 HE3 LYS 55 2HE LYS 55 -12.948 -9.245 3.683 444 HZ1 LYS 55 1HZ LYS 55 -12.010 -10.531 5.206 445 HZ2 LYS 55 2HZ LYS 55 -10.819 -9.350 5.423 446 HZ3 LYS 55 3HZ LYS 55 -10.557 -10.627 4.344 447 H ALA 56 H ALA 56 -7.039 -10.367 -0.974 448 HA ALA 56 HA ALA 56 -7.682 -9.939 -3.642 449 HB1 ALA 56 1HB ALA 56 -5.509 -9.475 -3.562 450 HB2 ALA 56 2HB ALA 56 -5.286 -10.453 -2.110 451 HB3 ALA 56 3HB ALA 56 -5.212 -11.208 -3.702 452 H GLY 57 H GLY 57 -8.853 -11.247 -4.892 453 HA2 GLY 57 1HA GLY 57 -7.954 -13.984 -5.289 454 HA3 GLY 57 2HA GLY 57 -9.583 -13.805 -4.656 455 H LYS 58 H LYS 58 -10.859 -12.028 -5.967 456 HA LYS 58 HA LYS 58 -10.345 -12.427 -8.835 457 HB2 LYS 58 1HB LYS 58 -13.174 -12.326 -7.941 458 HB3 LYS 58 2HB LYS 58 -12.446 -13.209 -9.277 459 HG2 LYS 58 1HG LYS 58 -11.353 -14.590 -7.313 460 HG3 LYS 58 2HG LYS 58 -12.757 -13.986 -6.429 461 HD2 LYS 58 1HD LYS 58 -13.083 -15.249 -9.125 462 HD3 LYS 58 2HD LYS 58 -12.928 -16.250 -7.680 463 HE2 LYS 58 1HE LYS 58 -14.951 -14.037 -7.961 464 HE3 LYS 58 2HE LYS 58 -15.285 -15.715 -8.385 465 HZ1 LYS 58 1HZ LYS 58 -16.051 -15.344 -6.182 466 HZ2 LYS 58 2HZ LYS 58 -14.584 -14.648 -5.707 467 HZ3 LYS 58 3HZ LYS 58 -14.660 -16.299 -6.066 468 H HIS 59 H HIS 59 -12.281 -10.604 -6.468 469 HA HIS 59 HA HIS 59 -12.746 -8.423 -8.258 470 HB2 HIS 59 1HB HIS 59 -13.139 -8.739 -5.281 471 HB3 HIS 59 2HB HIS 59 -13.564 -7.272 -6.156 472 HD1 HIS 59 1HD HIS 59 -15.510 -7.508 -7.945 473 HD2 HIS 59 2HD HIS 59 -14.981 -10.774 -5.432 474 HE1 HIS 59 1HE HIS 59 -17.607 -8.877 -8.171 475 HE2 HIS 59 2HE HIS 59 -17.300 -10.803 -6.577 476 H LEU 60 H LEU 60 -10.236 -9.287 -6.056 477 HA LEU 60 HA LEU 60 -8.937 -6.693 -6.560 478 HB2 LEU 60 1HB LEU 60 -9.530 -6.589 -4.293 479 HB3 LEU 60 2HB LEU 60 -9.102 -8.276 -4.017 480 HG LEU 60 HG LEU 60 -6.684 -7.339 -4.649 481 HD11 LEU 60 1HD1 LEU 60 -6.590 -5.127 -4.759 482 HD12 LEU 60 2HD1 LEU 60 -7.031 -5.066 -3.053 483 HD13 LEU 60 3HD1 LEU 60 -8.284 -4.982 -4.291 484 HD21 LEU 60 1HD2 LEU 60 -6.217 -7.842 -2.517 485 HD22 LEU 60 2HD2 LEU 60 -7.925 -8.268 -2.403 486 HD23 LEU 60 3HD2 LEU 60 -7.377 -6.673 -1.885 487 H GLN 61 H GLN 61 -6.717 -6.726 -6.913 488 HA GLN 61 HA GLN 61 -5.309 -9.268 -6.851 489 HB2 GLN 61 1HB GLN 61 -5.724 -7.699 -9.399 490 HB3 GLN 61 2HB GLN 61 -4.553 -8.997 -9.217 491 HG2 GLN 61 1HG GLN 61 -7.452 -9.453 -8.642 492 HG3 GLN 61 2HG GLN 61 -6.829 -9.514 -10.290 493 HE21 GLN 61 1HE2 GLN 61 -7.145 -11.146 -7.317 494 HE22 GLN 61 2HE2 GLN 61 -6.286 -12.582 -7.746 495 H LEU 62 H LEU 62 -3.304 -8.962 -6.143 496 HA LEU 62 HA LEU 62 -2.254 -6.239 -6.042 497 HB2 LEU 62 1HB LEU 62 -1.062 -8.699 -4.789 498 HB3 LEU 62 2HB LEU 62 -0.745 -7.014 -4.381 499 HG LEU 62 HG LEU 62 -3.336 -8.479 -3.879 500 HD11 LEU 62 1HD1 LEU 62 -0.996 -8.786 -2.511 501 HD12 LEU 62 2HD1 LEU 62 -2.608 -9.025 -1.836 502 HD13 LEU 62 3HD1 LEU 62 -1.779 -7.484 -1.613 503 HD21 LEU 62 1HD2 LEU 62 -3.690 -6.110 -4.265 504 HD22 LEU 62 2HD2 LEU 62 -2.424 -5.709 -3.105 505 HD23 LEU 62 3HD2 LEU 62 -3.908 -6.488 -2.556 506 H LYS 63 H LYS 63 0.128 -5.970 -6.395 507 HA LYS 63 HA LYS 63 1.234 -7.795 -8.397 508 HB2 LYS 63 1HB LYS 63 -0.020 -5.547 -9.239 509 HB3 LYS 63 2HB LYS 63 1.604 -4.920 -8.988 510 HG2 LYS 63 1HG LYS 63 1.823 -5.574 -11.140 511 HG3 LYS 63 2HG LYS 63 2.237 -7.104 -10.364 512 HD2 LYS 63 1HD LYS 63 -0.220 -7.700 -10.541 513 HD3 LYS 63 2HD LYS 63 -0.388 -6.294 -11.596 514 HE2 LYS 63 1HE LYS 63 1.497 -7.309 -12.974 515 HE3 LYS 63 2HE LYS 63 1.240 -8.782 -12.041 516 HZ1 LYS 63 1HZ LYS 63 -0.132 -7.969 -14.297 517 HZ2 LYS 63 2HZ LYS 63 -1.225 -7.795 -13.018 518 HZ3 LYS 63 3HZ LYS 63 -0.490 -9.291 -13.304 519 H GLU 64 H GLU 64 3.478 -7.835 -8.493 520 HA GLU 64 HA GLU 64 5.020 -5.986 -6.878 521 HB2 GLU 64 1HB GLU 64 4.620 -7.444 -5.111 522 HB3 GLU 64 2HB GLU 64 4.610 -8.862 -6.150 523 HG2 GLU 64 1HG GLU 64 7.122 -7.293 -5.773 524 HG3 GLU 64 2HG GLU 64 6.603 -8.456 -4.554 525 H THR 65 H THR 65 6.873 -5.554 -7.875 526 HA THR 65 HA THR 65 8.151 -7.613 -9.519 527 HB THR 65 HB THR 65 6.745 -6.239 -11.040 528 HG1 THR 65 1HG THR 65 9.397 -5.543 -11.643 529 HG21 THR 65 1HG2 THR 65 8.515 -4.010 -10.037 530 HG22 THR 65 2HG2 THR 65 6.757 -4.111 -9.944 531 HG23 THR 65 3HG2 THR 65 7.546 -3.907 -11.507 532 H PHE 66 H PHE 66 10.377 -6.980 -10.173 533 HA PHE 66 HA PHE 66 11.596 -5.110 -8.254 534 HB2 PHE 66 1HB PHE 66 12.146 -7.228 -7.366 535 HB3 PHE 66 2HB PHE 66 12.450 -7.910 -8.960 536 HD1 PHE 66 1HD PHE 66 13.704 -5.111 -6.831 537 HD2 PHE 66 2HD PHE 66 14.638 -8.266 -9.530 538 HE1 PHE 66 1HE PHE 66 16.100 -4.610 -6.581 539 HE2 PHE 66 2HE PHE 66 17.035 -7.772 -9.284 540 HZ PHE 66 HZ PHE 66 17.769 -5.942 -7.808 541 H GLU 67 H GLU 67 13.307 -3.889 -8.989 542 HA GLU 67 HA GLU 67 13.953 -4.161 -11.852 543 HB2 GLU 67 1HB GLU 67 13.554 -1.644 -10.230 544 HB3 GLU 67 2HB GLU 67 14.257 -1.663 -11.841 545 HG2 GLU 67 1HG GLU 67 12.114 -1.218 -12.402 546 HG3 GLU 67 2HG GLU 67 12.028 -2.978 -12.396 547 H ARG 68 H ARG 68 15.857 -5.284 -11.549 548 HA ARG 68 HA ARG 68 17.829 -4.708 -9.648 549 HB2 ARG 68 1HB ARG 68 19.321 -5.801 -11.572 550 HB3 ARG 68 2HB ARG 68 18.229 -6.751 -10.574 551 HG2 ARG 68 1HG ARG 68 17.039 -5.605 -13.006 552 HG3 ARG 68 2HG ARG 68 18.281 -6.833 -13.264 553 HD2 ARG 68 1HD ARG 68 16.886 -8.072 -11.368 554 HD3 ARG 68 2HD ARG 68 15.595 -7.066 -12.024 555 HE ARG 68 HE ARG 68 17.098 -8.525 -14.006 556 HH11 ARG 68 2HH1 ARG 68 14.374 -8.563 -11.838 557 HH12 ARG 68 1HH1 ARG 68 13.512 -9.770 -12.734 558 HH21 ARG 68 2HH2 ARG 68 15.972 -10.114 -15.194 559 HH22 ARG 68 1HH2 ARG 68 14.422 -10.652 -14.642 560 H HIS 69 H HIS 69 17.068 -3.211 -12.681 561 HA HIS 69 HA HIS 69 19.473 -2.009 -13.356 562 HB2 HIS 69 1HB HIS 69 16.847 -0.567 -13.628 563 HB3 HIS 69 2HB HIS 69 18.234 -0.541 -14.714 564 HD1 HIS 69 1HD HIS 69 15.173 -2.489 -13.885 565 HD2 HIS 69 2HD HIS 69 18.407 -2.730 -16.481 566 HE1 HIS 69 1HE HIS 69 14.558 -4.259 -15.562 567 HE2 HIS 69 2HE HIS 69 16.565 -4.448 -17.072 568 H SER 70 H SER 70 17.088 -1.073 -10.950 569 HA SER 70 HA SER 70 18.937 1.034 -10.037 570 HB2 SER 70 1HB SER 70 16.607 1.691 -11.065 571 HB3 SER 70 2HB SER 70 15.997 1.208 -9.483 572 HG SER 70 HG SER 70 18.177 2.773 -9.224 573 H ARG 71 H ARG 71 17.712 -1.919 -9.336 574 HA ARG 71 HA ARG 71 17.649 -3.214 -7.468 575 HB2 ARG 71 1HB ARG 71 19.255 -0.901 -6.380 576 HB3 ARG 71 2HB ARG 71 18.929 -2.363 -5.458 577 HG2 ARG 71 1HG ARG 71 19.941 -3.533 -7.585 578 HG3 ARG 71 2HG ARG 71 20.697 -1.954 -7.810 579 HD2 ARG 71 1HD ARG 71 21.250 -2.280 -5.235 580 HD3 ARG 71 2HD ARG 71 21.109 -3.981 -5.679 581 HE ARG 71 HE ARG 71 22.760 -3.051 -7.572 582 HH11 ARG 71 2HH1 ARG 71 22.760 -2.680 -4.111 583 HH12 ARG 71 1HH1 ARG 71 24.484 -2.550 -3.995 584 HH21 ARG 71 2HH2 ARG 71 25.030 -2.881 -7.432 585 HH22 ARG 71 1HH2 ARG 71 25.774 -2.663 -5.884 586 H VAL 72 H VAL 72 15.458 -1.459 -8.033 587 HA VAL 72 HA VAL 72 14.414 -1.081 -5.303 588 HB VAL 72 HB VAL 72 13.799 0.635 -7.714 589 HG11 VAL 72 1HG1 VAL 72 12.213 1.757 -6.487 590 HG12 VAL 72 2HG1 VAL 72 11.989 0.111 -5.892 591 HG13 VAL 72 3HG1 VAL 72 12.911 1.276 -4.941 592 HG21 VAL 72 1HG2 VAL 72 15.075 2.330 -6.763 593 HG22 VAL 72 2HG2 VAL 72 15.071 1.577 -5.169 594 HG23 VAL 72 3HG2 VAL 72 16.047 0.888 -6.467 595 H TYR 73 H TYR 73 12.372 -1.811 -4.897 596 HA TYR 73 HA TYR 73 11.186 -3.501 -6.967 597 HB2 TYR 73 1HB TYR 73 10.712 -3.328 -3.987 598 HB3 TYR 73 2HB TYR 73 9.806 -4.386 -5.063 599 HD1 TYR 73 2HD TYR 73 13.237 -3.647 -3.842 600 HD2 TYR 73 1HD TYR 73 10.641 -6.502 -5.635 601 HE1 TYR 73 2HE TYR 73 14.972 -5.373 -3.594 602 HE2 TYR 73 1HE TYR 73 12.368 -8.235 -5.391 603 HH TYR 73 HH TYR 73 14.358 -8.660 -3.941 604 H THR 74 H THR 74 8.997 -3.384 -7.535 605 HA THR 74 HA THR 74 7.643 -0.873 -6.791 606 HB THR 74 HB THR 74 7.503 -2.205 -9.501 607 HG1 THR 74 1HG THR 74 8.690 0.305 -9.100 608 HG21 THR 74 1HG2 THR 74 6.663 0.312 -9.897 609 HG22 THR 74 2HG2 THR 74 6.134 0.092 -8.228 610 HG23 THR 74 3HG2 THR 74 5.570 -1.009 -9.485 611 H PHE 75 H PHE 75 6.094 -1.537 -5.418 612 HA PHE 75 HA PHE 75 4.526 -3.920 -6.088 613 HB2 PHE 75 1HB PHE 75 4.320 -2.339 -3.532 614 HB3 PHE 75 2HB PHE 75 3.862 -4.015 -3.820 615 HD1 PHE 75 1HD PHE 75 6.051 -5.354 -4.896 616 HD2 PHE 75 2HD PHE 75 6.094 -2.138 -2.109 617 HE1 PHE 75 1HE PHE 75 8.250 -6.096 -4.079 618 HE2 PHE 75 2HE PHE 75 8.294 -2.874 -1.288 619 HZ PHE 75 HZ PHE 75 9.375 -4.855 -2.274 620 H GLU 76 H GLU 76 2.410 -3.836 -6.613 621 HA GLU 76 HA GLU 76 1.033 -1.246 -6.418 622 HB2 GLU 76 1HB GLU 76 0.864 -3.079 -8.813 623 HB3 GLU 76 2HB GLU 76 0.111 -1.501 -8.635 624 HG2 GLU 76 1HG GLU 76 2.065 -0.370 -8.987 625 HG3 GLU 76 2HG GLU 76 3.067 -1.696 -8.402 626 H MET 77 H MET 77 -1.356 -1.463 -6.685 627 HA MET 77 HA MET 77 -2.359 -4.093 -5.851 628 HB2 MET 77 1HB MET 77 -2.109 -2.776 -3.817 629 HB3 MET 77 2HB MET 77 -3.025 -1.456 -4.532 630 HG2 MET 77 1HG MET 77 -5.034 -2.615 -4.405 631 HG3 MET 77 2HG MET 77 -4.232 -4.174 -4.230 632 HE1 MET 77 1HE MET 77 -5.656 -1.085 -1.655 633 HE2 MET 77 2HE MET 77 -3.960 -0.828 -1.247 634 HE3 MET 77 3HE MET 77 -4.485 -0.744 -2.929 635 H GLN 78 H GLN 78 -3.431 -4.561 -7.708 636 HA GLN 78 HA GLN 78 -5.095 -2.576 -9.002 637 HB2 GLN 78 1HB GLN 78 -3.683 -4.682 -9.964 638 HB3 GLN 78 2HB GLN 78 -5.287 -5.397 -9.855 639 HG2 GLN 78 1HG GLN 78 -6.175 -3.541 -11.209 640 HG3 GLN 78 2HG GLN 78 -4.538 -2.906 -11.368 641 HE21 GLN 78 1HE2 GLN 78 -3.022 -5.027 -11.874 642 HE22 GLN 78 2HE2 GLN 78 -3.512 -5.821 -13.328 643 H ILE 79 H ILE 79 -6.985 -2.117 -8.075 644 HA ILE 79 HA ILE 79 -8.525 -4.273 -6.818 645 HB ILE 79 HB ILE 79 -8.974 -1.290 -6.673 646 HG12 ILE 79 1HG1 ILE 79 -7.387 -3.199 -5.021 647 HG13 ILE 79 2HG1 ILE 79 -7.052 -1.519 -5.427 648 HG21 ILE 79 1HG2 ILE 79 -10.174 -3.460 -4.966 649 HG22 ILE 79 2HG2 ILE 79 -10.583 -1.746 -4.976 650 HG23 ILE 79 3HG2 ILE 79 -10.981 -2.755 -6.366 651 HD11 ILE 79 1HD1 ILE 79 -7.495 -1.641 -3.098 652 HD12 ILE 79 2HD1 ILE 79 -8.882 -0.865 -3.864 653 HD13 ILE 79 3HD1 ILE 79 -8.979 -2.554 -3.368 654 H ILE 80 H ILE 80 -9.988 -5.234 -8.054 655 HA ILE 80 HA ILE 80 -11.214 -3.744 -10.260 656 HB ILE 80 HB ILE 80 -11.536 -6.691 -9.755 657 HG12 ILE 80 1HG1 ILE 80 -9.655 -6.594 -11.703 658 HG13 ILE 80 2HG1 ILE 80 -9.176 -5.203 -10.738 659 HG21 ILE 80 1HG2 ILE 80 -11.408 -6.021 -12.492 660 HG22 ILE 80 2HG2 ILE 80 -12.806 -6.569 -11.569 661 HG23 ILE 80 3HG2 ILE 80 -12.470 -4.844 -11.718 662 HD11 ILE 80 1HD1 ILE 80 -9.224 -8.090 -10.003 663 HD12 ILE 80 2HD1 ILE 80 -7.939 -6.897 -9.805 664 HD13 ILE 80 3HD1 ILE 80 -9.350 -6.857 -8.749 665 H LYS 81 H LYS 81 -13.361 -3.336 -10.381 666 HA LYS 81 HA LYS 81 -15.486 -2.961 -9.657 667 HB2 LYS 81 1HB LYS 81 -15.162 -5.723 -8.469 668 HB3 LYS 81 2HB LYS 81 -16.690 -4.894 -8.734 669 HG2 LYS 81 1HG LYS 81 -15.783 -4.793 -11.218 670 HG3 LYS 81 2HG LYS 81 -14.877 -6.208 -10.677 671 HD2 LYS 81 1HD LYS 81 -17.128 -7.076 -9.807 672 HD3 LYS 81 2HD LYS 81 -17.853 -5.819 -10.812 673 HE2 LYS 81 1HE LYS 81 -16.789 -6.751 -12.785 674 HE3 LYS 81 2HE LYS 81 -15.978 -7.967 -11.799 675 HZ1 LYS 81 1HZ LYS 81 -18.034 -8.992 -11.299 676 HZ2 LYS 81 2HZ LYS 81 -18.024 -8.741 -12.971 677 HZ3 LYS 81 3HZ LYS 81 -18.927 -7.721 -11.968 678 H ALA 82 H ALA 82 -13.706 -1.678 -8.102 679 HA ALA 82 HA ALA 82 -13.593 -2.186 -5.395 680 HB1 ALA 82 1HB ALA 82 -13.219 0.203 -5.087 681 HB2 ALA 82 2HB ALA 82 -12.336 -0.398 -6.492 682 HB3 ALA 82 3HB ALA 82 -13.828 0.517 -6.713 683 H LYS 83 H LYS 83 -15.198 -2.611 -4.037 684 HA LYS 83 HA LYS 83 -17.847 -1.494 -4.489 685 HB2 LYS 83 1HB LYS 83 -17.061 -3.319 -2.228 686 HB3 LYS 83 2HB LYS 83 -18.650 -3.094 -2.947 687 HG2 LYS 83 1HG LYS 83 -18.053 -4.299 -4.886 688 HG3 LYS 83 2HG LYS 83 -16.339 -4.267 -4.465 689 HD2 LYS 83 1HD LYS 83 -17.097 -5.548 -2.339 690 HD3 LYS 83 2HD LYS 83 -18.552 -5.897 -3.277 691 HE2 LYS 83 1HE LYS 83 -16.955 -6.698 -5.108 692 HE3 LYS 83 2HE LYS 83 -15.709 -6.676 -3.860 693 HZ1 LYS 83 1HZ LYS 83 -18.235 -8.097 -3.363 694 HZ2 LYS 83 2HZ LYS 83 -16.700 -8.385 -2.715 695 HZ3 LYS 83 3HZ LYS 83 -17.042 -8.832 -4.310 696 H ASP 84 H ASP 84 -19.068 -0.736 -2.506 697 HA ASP 84 HA ASP 84 -17.872 1.562 -1.468 698 HB2 ASP 84 1HB ASP 84 -19.873 1.953 -0.402 699 HB3 ASP 84 2HB ASP 84 -20.394 0.780 -1.607 700 H ASN 85 H ASN 85 -17.534 -1.687 -0.520 701 HA ASN 85 HA ASN 85 -16.877 -1.165 2.236 702 HB2 ASN 85 1HB ASN 85 -17.835 -3.348 1.221 703 HB3 ASN 85 2HB ASN 85 -16.171 -3.685 0.753 704 HD21 ASN 85 1HD2 ASN 85 -15.929 -5.431 2.087 705 HD22 ASN 85 2HD2 ASN 85 -15.868 -5.304 3.809 706 H PHE 86 H PHE 86 -15.258 -0.939 -0.731 707 HA PHE 86 HA PHE 86 -12.614 -1.488 0.278 708 HB2 PHE 86 1HB PHE 86 -13.609 -0.334 -2.330 709 HB3 PHE 86 2HB PHE 86 -11.903 -0.571 -1.967 710 HD1 PHE 86 2HD PHE 86 -15.022 -2.598 -1.620 711 HD2 PHE 86 1HD PHE 86 -10.997 -2.402 -2.989 712 HE1 PHE 86 2HE PHE 86 -15.182 -4.921 -2.412 713 HE2 PHE 86 1HE PHE 86 -11.150 -4.726 -3.784 714 HZ PHE 86 HZ PHE 86 -13.245 -5.989 -3.494 715 H ALA 87 H ALA 87 -14.738 1.105 0.457 716 HA ALA 87 HA ALA 87 -12.717 3.184 0.463 717 HB1 ALA 87 1HB ALA 87 -15.201 4.095 1.526 718 HB2 ALA 87 2HB ALA 87 -14.441 4.494 -0.016 719 HB3 ALA 87 3HB ALA 87 -15.516 3.101 0.103 720 H GLY 88 H GLY 88 -11.659 3.911 2.200 721 HA2 GLY 88 1HA GLY 88 -12.493 4.369 4.730 722 HA3 GLY 88 2HA GLY 88 -12.127 2.650 4.759 723 H ASN 89 H ASN 89 -10.350 2.625 6.036 724 HA ASN 89 HA ASN 89 -8.072 4.296 5.205 725 HB2 ASN 89 1HB ASN 89 -8.839 4.738 7.496 726 HB3 ASN 89 2HB ASN 89 -8.629 3.037 7.900 727 HD21 ASN 89 1HD2 ASN 89 -6.654 5.433 6.181 728 HD22 ASN 89 2HD2 ASN 89 -5.235 5.197 7.137 729 H TYR 90 H TYR 90 -6.301 3.332 4.443 730 HA TYR 90 HA TYR 90 -6.155 0.400 4.605 731 HB2 TYR 90 1HB TYR 90 -5.117 2.377 2.585 732 HB3 TYR 90 2HB TYR 90 -4.504 0.729 2.659 733 HD1 TYR 90 2HD TYR 90 -7.912 2.263 2.861 734 HD2 TYR 90 1HD TYR 90 -5.369 -0.579 0.975 735 HE1 TYR 90 2HE TYR 90 -9.797 1.505 1.475 736 HE2 TYR 90 1HE TYR 90 -7.247 -1.344 -0.417 737 HH TYR 90 HH TYR 90 -10.169 0.371 -0.664 738 H ARG 91 H ARG 91 -3.956 -0.538 4.695 739 HA ARG 91 HA ARG 91 -1.908 1.146 5.896 740 HB2 ARG 91 1HB ARG 91 -3.461 0.208 7.715 741 HB3 ARG 91 2HB ARG 91 -2.756 -1.358 7.335 742 HG2 ARG 91 1HG ARG 91 -0.502 -0.305 7.781 743 HG3 ARG 91 2HG ARG 91 -1.385 1.071 8.445 744 HD2 ARG 91 1HD ARG 91 -2.521 -0.485 10.011 745 HD3 ARG 91 2HD ARG 91 -1.501 -1.787 9.398 746 HE ARG 91 HE ARG 91 0.239 0.180 10.188 747 HH11 ARG 91 2HH1 ARG 91 -2.277 -1.690 11.703 748 HH12 ARG 91 1HH1 ARG 91 -1.539 -1.655 13.270 749 HH21 ARG 91 2HH2 ARG 91 1.221 0.232 12.247 750 HH22 ARG 91 1HH2 ARG 91 0.450 -0.561 13.578 751 H CYS 92 H CYS 92 0.039 0.585 5.168 752 HA CYS 92 HA CYS 92 0.362 -2.104 4.006 753 HB2 CYS 92 1HB CYS 92 1.318 0.587 3.106 754 HB3 CYS 92 2HB CYS 92 2.263 -0.840 2.699 755 HG CYS 92 HG CYS 92 -0.103 0.378 0.987 756 H GLU 93 H GLU 93 2.357 -3.166 4.285 757 HA GLU 93 HA GLU 93 4.271 -1.985 6.146 758 HB2 GLU 93 1HB GLU 93 2.789 -4.568 6.636 759 HB3 GLU 93 2HB GLU 93 4.280 -4.144 7.466 760 HG2 GLU 93 1HG GLU 93 3.051 -2.002 8.157 761 HG3 GLU 93 2HG GLU 93 1.587 -2.854 7.668 762 H VAL 94 H VAL 94 6.238 -2.269 5.354 763 HA VAL 94 HA VAL 94 6.782 -4.686 3.755 764 HB VAL 94 HB VAL 94 7.955 -1.942 3.286 765 HG11 VAL 94 1HG1 VAL 94 8.315 -3.628 1.068 766 HG12 VAL 94 2HG1 VAL 94 9.549 -3.011 2.168 767 HG13 VAL 94 3HG1 VAL 94 8.781 -4.567 2.486 768 HG21 VAL 94 1HG2 VAL 94 6.322 -3.216 1.200 769 HG22 VAL 94 2HG2 VAL 94 5.436 -2.695 2.634 770 HG23 VAL 94 3HG2 VAL 94 6.393 -1.531 1.717 771 H THR 95 H THR 95 8.015 -5.945 4.998 772 HA THR 95 HA THR 95 10.077 -4.722 6.688 773 HB THR 95 HB THR 95 9.326 -7.637 6.705 774 HG1 THR 95 1HG THR 95 7.398 -6.771 7.205 775 HG21 THR 95 1HG2 THR 95 11.274 -6.174 8.030 776 HG22 THR 95 2HG2 THR 95 10.687 -7.776 8.474 777 HG23 THR 95 3HG2 THR 95 9.984 -6.341 9.219 778 H TYR 96 H TYR 96 11.965 -4.473 5.680 779 HA TYR 96 HA TYR 96 12.860 -6.547 3.802 780 HB2 TYR 96 1HB TYR 96 12.768 -4.231 2.940 781 HB3 TYR 96 2HB TYR 96 13.907 -3.734 4.187 782 HD1 TYR 96 2HD TYR 96 14.028 -6.857 2.189 783 HD2 TYR 96 1HD TYR 96 15.729 -3.018 2.877 784 HE1 TYR 96 2HE TYR 96 15.900 -7.426 0.699 785 HE2 TYR 96 1HE TYR 96 17.605 -3.576 1.388 786 HH TYR 96 HH TYR 96 18.038 -6.802 0.107 787 H LYS 97 H LYS 97 15.012 -7.337 3.906 788 HA LYS 97 HA LYS 97 15.910 -8.232 6.314 789 HB2 LYS 97 1HB LYS 97 17.858 -7.492 4.143 790 HB3 LYS 97 2HB LYS 97 17.929 -8.849 5.260 791 HG2 LYS 97 1HG LYS 97 16.289 -8.513 2.791 792 HG3 LYS 97 2HG LYS 97 17.315 -9.862 3.285 793 HD2 LYS 97 1HD LYS 97 15.602 -10.126 5.217 794 HD3 LYS 97 2HD LYS 97 14.547 -9.158 4.185 795 HE2 LYS 97 1HE LYS 97 14.729 -10.775 2.407 796 HE3 LYS 97 2HE LYS 97 15.919 -11.701 3.321 797 HZ1 LYS 97 1HZ LYS 97 13.032 -11.381 3.882 798 HZ2 LYS 97 2HZ LYS 97 14.113 -11.946 5.053 799 HZ3 LYS 97 3HZ LYS 97 13.896 -12.811 3.616 800 H ASP 98 H ASP 98 17.033 -5.295 4.651 801 HA ASP 98 HA ASP 98 18.869 -4.496 6.627 802 HB2 ASP 98 1HB ASP 98 18.437 -3.632 4.168 803 HB3 ASP 98 2HB ASP 98 17.417 -2.457 4.993 804 H LYS 99 H LYS 99 15.797 -2.843 5.905 805 HA LYS 99 HA LYS 99 15.262 -2.659 8.780 806 HB2 LYS 99 1HB LYS 99 15.324 -0.330 6.857 807 HB3 LYS 99 2HB LYS 99 14.603 -0.256 8.459 808 HG2 LYS 99 1HG LYS 99 17.471 -1.027 8.016 809 HG3 LYS 99 2HG LYS 99 16.952 0.647 8.225 810 HD2 LYS 99 1HD LYS 99 15.844 -0.121 10.378 811 HD3 LYS 99 2HD LYS 99 16.744 -1.627 10.184 812 HE2 LYS 99 1HE LYS 99 18.841 -0.402 10.214 813 HE3 LYS 99 2HE LYS 99 17.970 1.127 10.321 814 HZ1 LYS 99 1HZ LYS 99 17.089 -0.550 12.387 815 HZ2 LYS 99 2HZ LYS 99 17.927 0.914 12.509 816 HZ3 LYS 99 3HZ LYS 99 18.781 -0.543 12.407 817 H PHE 100 H PHE 100 13.010 -1.786 9.182 818 HA PHE 100 HA PHE 100 11.184 -2.750 7.079 819 HB2 PHE 100 1HB PHE 100 10.781 -4.322 8.697 820 HB3 PHE 100 2HB PHE 100 11.251 -3.247 10.010 821 HD1 PHE 100 1HD PHE 100 8.567 -3.658 7.458 822 HD2 PHE 100 2HD PHE 100 9.616 -2.401 11.387 823 HE1 PHE 100 1HE PHE 100 6.194 -3.233 7.952 824 HE2 PHE 100 2HE PHE 100 7.245 -1.975 11.887 825 HZ PHE 100 HZ PHE 100 5.530 -2.392 10.169 826 H ASP 101 H ASP 101 9.861 -1.268 6.280 827 HA ASP 101 HA ASP 101 9.143 1.039 7.965 828 HB2 ASP 101 1HB ASP 101 9.195 2.460 5.960 829 HB3 ASP 101 2HB ASP 101 10.770 1.734 6.270 830 H SER 102 H SER 102 7.059 1.858 7.740 831 HA SER 102 HA SER 102 5.228 0.405 5.972 832 HB2 SER 102 1HB SER 102 3.572 0.309 7.885 833 HB3 SER 102 2HB SER 102 4.962 -0.764 8.043 834 HG SER 102 HG SER 102 4.170 1.254 9.652 835 H CYS 103 H CYS 103 3.070 1.483 5.846 836 HA CYS 103 HA CYS 103 2.906 4.243 6.649 837 HB2 CYS 103 1HB CYS 103 2.913 5.253 4.498 838 HB3 CYS 103 2HB CYS 103 4.348 4.236 4.561 839 HG CYS 103 HG CYS 103 1.502 3.777 2.758 840 H SER 104 H SER 104 0.847 5.248 5.906 841 HA SER 104 HA SER 104 -1.217 3.281 5.214 842 HB2 SER 104 1HB SER 104 -2.665 3.972 6.991 843 HB3 SER 104 2HB SER 104 -1.099 3.615 7.719 844 HG SER 104 HG SER 104 -2.024 5.604 8.452 845 H PHE 105 H PHE 105 -3.014 4.112 4.142 846 HA PHE 105 HA PHE 105 -2.950 6.970 3.471 847 HB2 PHE 105 1HB PHE 105 -3.479 6.393 1.106 848 HB3 PHE 105 2HB PHE 105 -1.877 5.864 1.608 849 HD1 PHE 105 1HD PHE 105 -1.429 3.481 2.015 850 HD2 PHE 105 2HD PHE 105 -5.163 4.833 0.481 851 HE1 PHE 105 1HE PHE 105 -1.956 1.190 1.289 852 HE2 PHE 105 2HE PHE 105 -5.696 2.544 -0.247 853 HZ PHE 105 HZ PHE 105 -4.092 0.719 0.157 854 H ASP 106 H ASP 106 -5.054 7.255 1.884 855 HA ASP 106 HA ASP 106 -7.311 5.982 3.283 856 HB2 ASP 106 1HB ASP 106 -8.496 8.236 2.938 857 HB3 ASP 106 2HB ASP 106 -7.289 8.141 4.217 858 H LEU 107 H LEU 107 -8.899 5.215 2.015 859 HA LEU 107 HA LEU 107 -8.824 5.918 -0.845 860 HB2 LEU 107 1HB LEU 107 -8.019 3.607 -0.264 861 HB3 LEU 107 2HB LEU 107 -9.655 3.257 0.290 862 HG LEU 107 HG LEU 107 -9.018 2.445 -2.031 863 HD11 LEU 107 1HD1 LEU 107 -11.425 3.571 -1.013 864 HD12 LEU 107 2HD1 LEU 107 -11.220 2.267 -2.182 865 HD13 LEU 107 3HD1 LEU 107 -11.312 3.939 -2.734 866 HD21 LEU 107 1HD2 LEU 107 -7.862 4.584 -2.646 867 HD22 LEU 107 2HD2 LEU 107 -9.455 5.334 -2.764 868 HD23 LEU 107 3HD2 LEU 107 -9.027 3.998 -3.835 869 H GLU 108 H GLU 108 -10.684 6.567 -1.752 870 HA GLU 108 HA GLU 108 -13.134 6.356 -0.128 871 HB2 GLU 108 1HB GLU 108 -11.985 8.572 -1.739 872 HB3 GLU 108 2HB GLU 108 -13.733 8.389 -1.766 873 HG2 GLU 108 1HG GLU 108 -11.952 8.960 0.574 874 HG3 GLU 108 2HG GLU 108 -13.295 9.917 -0.051 875 H VAL 109 H VAL 109 -15.134 6.067 -1.244 876 HA VAL 109 HA VAL 109 -14.895 5.064 -3.997 877 HB VAL 109 HB VAL 109 -16.499 3.690 -1.838 878 HG11 VAL 109 1HG1 VAL 109 -17.155 3.649 -4.370 879 HG12 VAL 109 2HG1 VAL 109 -15.822 2.498 -4.488 880 HG13 VAL 109 3HG1 VAL 109 -17.184 2.165 -3.418 881 HG21 VAL 109 1HG2 VAL 109 -14.131 2.446 -3.152 882 HG22 VAL 109 2HG2 VAL 109 -13.875 3.583 -1.828 883 HG23 VAL 109 3HG2 VAL 109 -14.837 2.128 -1.567 884 H HIS 110 H HIS 110 -16.225 6.157 -5.270 885 HA HIS 110 HA HIS 110 -18.622 7.390 -4.106 886 HB2 HIS 110 1HB HIS 110 -17.103 7.992 -6.649 887 HB3 HIS 110 2HB HIS 110 -18.618 8.771 -6.203 888 HD1 HIS 110 1HD HIS 110 -17.124 11.000 -6.299 889 HD2 HIS 110 2HD HIS 110 -16.273 8.355 -3.210 890 HE1 HIS 110 1HE HIS 110 -15.785 12.322 -4.631 891 HE2 HIS 110 2HE HIS 110 -15.209 10.678 -2.812 892 H GLU 111 H GLU 111 -20.650 7.051 -4.950 893 HA GLU 111 HA GLU 111 -21.197 4.553 -6.095 894 HB2 GLU 111 1HB GLU 111 -22.893 7.044 -5.900 895 HB3 GLU 111 2HB GLU 111 -23.504 5.493 -6.458 896 HG2 GLU 111 1HG GLU 111 -22.489 4.669 -4.165 897 HG3 GLU 111 2HG GLU 111 -22.729 6.360 -3.730 898 H SER 112 H SER 112 -21.274 3.840 -8.130 899 HA SER 112 HA SER 112 -20.456 5.595 -10.264 900 HB2 SER 112 1HB SER 112 -19.576 3.319 -10.177 901 HB3 SER 112 2HB SER 112 -21.209 2.661 -10.282 902 HG SER 112 HG SER 112 -20.448 4.431 -12.283 903 H THR 113 H THR 113 -22.173 7.044 -10.495 904 HA THR 113 HA THR 113 -24.598 5.882 -11.704 905 HB THR 113 HB THR 113 -25.923 7.703 -10.795 906 HG1 THR 113 1HG THR 113 -23.399 8.635 -9.985 907 HG21 THR 113 1HG2 THR 113 -24.478 5.805 -9.117 908 HG22 THR 113 2HG2 THR 113 -26.193 6.214 -9.142 909 HG23 THR 113 3HG2 THR 113 -25.063 7.208 -8.223 910 H GLY 114 H GLY 114 -25.538 7.017 -13.435 911 HA2 GLY 114 1HA GLY 114 -23.811 9.109 -14.608 912 HA3 GLY 114 2HA GLY 114 -24.529 7.830 -15.575 913 H THR 115 H THR 115 -24.764 10.930 -15.276 914 HA THR 115 HA THR 115 -27.610 11.235 -14.817 915 HB THR 115 HB THR 115 -26.171 13.017 -14.035 916 HG1 THR 115 1HG THR 115 -28.080 13.883 -14.641 917 HG21 THR 115 1HG2 THR 115 -24.364 13.658 -15.168 918 HG22 THR 115 2HG2 THR 115 -25.385 14.262 -16.473 919 HG23 THR 115 3HG2 THR 115 -24.821 12.591 -16.495 920 H THR 116 H THR 116 -29.146 11.267 -16.332 921 HA THR 116 HA THR 116 -28.326 11.507 -19.153 922 HB THR 116 HB THR 116 -30.198 9.928 -19.709 923 HG1 THR 116 1HG THR 116 -30.900 8.587 -17.937 924 HG21 THR 116 1HG2 THR 116 -28.949 7.873 -18.885 925 HG22 THR 116 2HG2 THR 116 -27.858 8.989 -18.063 926 HG23 THR 116 3HG2 THR 116 -28.010 9.036 -19.819 927 HA PRO 117 HA PRO 117 -31.336 14.711 -19.418 928 HB2 PRO 117 1HB PRO 117 -31.769 14.671 -22.098 929 HB3 PRO 117 2HB PRO 117 -30.294 15.321 -21.373 930 HG2 PRO 117 1HG PRO 117 -30.770 12.640 -22.617 931 HG3 PRO 117 2HG PRO 117 -29.378 13.723 -22.793 932 HD2 PRO 117 1HD PRO 117 -29.351 11.571 -21.150 933 HD3 PRO 117 2HD PRO 117 -28.447 13.056 -20.792 934 H ASN 118 H ASN 118 -33.114 13.835 -18.333 935 HA ASN 118 HA ASN 118 -34.840 11.916 -19.602 936 HB2 ASN 118 1HB ASN 118 -35.009 13.499 -17.042 937 HB3 ASN 118 2HB ASN 118 -36.337 12.484 -17.596 938 HD21 ASN 118 1HD2 ASN 118 -34.877 12.159 -15.191 939 HD22 ASN 118 2HD2 ASN 118 -34.078 10.629 -15.266 940 H ILE 119 H ILE 119 -37.305 12.491 -19.518 941 HA ILE 119 HA ILE 119 -37.974 14.110 -21.581 942 HB ILE 119 HB ILE 119 -39.628 13.685 -19.090 943 HG12 ILE 119 1HG1 ILE 119 -40.736 12.045 -20.854 944 HG13 ILE 119 2HG1 ILE 119 -39.128 12.094 -21.568 945 HG21 ILE 119 1HG2 ILE 119 -41.121 14.030 -21.529 946 HG22 ILE 119 2HG2 ILE 119 -41.259 14.890 -19.996 947 HG23 ILE 119 3HG2 ILE 119 -40.102 15.434 -21.211 948 HD11 ILE 119 1HD1 ILE 119 -39.952 10.393 -19.599 949 HD12 ILE 119 2HD1 ILE 119 -38.276 10.779 -19.989 950 HD13 ILE 119 3HD1 ILE 119 -39.101 11.643 -18.692 951 H ASP 120 H ASP 120 -37.634 16.183 -21.985 952 HA ASP 120 HA ASP 120 -36.942 18.063 -19.965 953 HB2 ASP 120 1HB ASP 120 -36.281 18.019 -22.478 954 HB3 ASP 120 2HB ASP 120 -37.814 18.849 -22.731 955 H SER 121 H SER 121 -38.134 19.581 -18.946 956 HA SER 121 HA SER 121 -40.842 19.275 -18.547 957 HB2 SER 121 1HB SER 121 -40.813 21.527 -17.551 958 HB3 SER 121 2HB SER 121 -39.400 20.594 -17.057 959 HG SER 121 HG SER 121 -39.359 22.951 -18.093 960 H GLY 122 H GLY 122 -42.590 19.663 -19.731 961 HA2 GLY 122 1HA GLY 122 -42.306 21.416 -22.085 962 HA3 GLY 122 2HA GLY 122 -43.453 20.091 -21.949 963 HA PRO 123 HA PRO 123 -45.041 23.887 -19.341 964 HB2 PRO 123 1HB PRO 123 -44.123 26.282 -20.229 965 HB3 PRO 123 2HB PRO 123 -43.325 25.363 -18.947 966 HG2 PRO 123 1HG PRO 123 -42.640 25.545 -21.856 967 HG3 PRO 123 2HG PRO 123 -41.562 25.581 -20.448 968 HD2 PRO 123 1HD PRO 123 -41.925 23.357 -21.950 969 HD3 PRO 123 2HD PRO 123 -41.596 23.289 -20.206 970 H SER 124 H SER 124 -44.800 23.259 -22.605 971 HA SER 124 HA SER 124 -46.136 25.095 -24.045 972 HB2 SER 124 1HB SER 124 -47.198 23.215 -25.310 973 HB3 SER 124 2HB SER 124 -45.470 22.990 -25.035 974 HG SER 124 HG SER 124 -47.053 21.179 -24.571 975 H SER 125 H SER 125 -47.854 22.548 -22.227 976 HA SER 125 HA SER 125 -50.005 22.428 -21.472 977 HB2 SER 125 1HB SER 125 -50.765 24.539 -20.261 978 HB3 SER 125 2HB SER 125 -49.233 23.848 -19.728 979 HG SER 125 HG SER 125 -49.382 25.902 -21.667 980 H GLY 126 H GLY 126 -49.662 23.109 -24.287 981 HA2 GLY 126 1HA GLY 126 -52.264 24.439 -24.701 982 HA3 GLY 126 2HA GLY 126 -50.874 24.843 -25.697 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 15.737 24.672 18.512 2 HA2 GLY 1 1HA GLY 1 14.222 23.503 17.239 3 HA3 GLY 1 2HA GLY 1 15.333 23.681 15.888 4 H SER 2 H SER 2 13.662 21.398 17.061 5 HA SER 2 HA SER 2 15.486 19.429 17.981 6 HB2 SER 2 1HB SER 2 12.681 19.314 16.888 7 HB3 SER 2 2HB SER 2 13.569 17.845 17.295 8 HG SER 2 HG SER 2 13.238 18.238 19.330 9 H SER 3 H SER 3 16.074 17.452 16.855 10 HA SER 3 HA SER 3 16.945 18.032 14.147 11 HB2 SER 3 1HB SER 3 17.643 15.995 16.219 12 HB3 SER 3 2HB SER 3 17.978 15.621 14.529 13 HG SER 3 HG SER 3 19.677 16.819 14.745 14 H GLY 4 H GLY 4 16.448 16.804 12.328 15 HA2 GLY 4 1HA GLY 4 14.360 14.759 12.621 16 HA3 GLY 4 2HA GLY 4 14.056 16.132 11.567 17 H SER 5 H SER 5 16.199 13.372 12.095 18 HA SER 5 HA SER 5 16.438 13.068 9.204 19 HB2 SER 5 1HB SER 5 18.402 14.408 9.858 20 HB3 SER 5 2HB SER 5 18.852 13.170 11.031 21 HG SER 5 HG SER 5 19.518 11.894 9.457 22 H SER 6 H SER 6 16.639 10.971 8.537 23 HA SER 6 HA SER 6 17.497 8.827 10.157 24 HB2 SER 6 1HB SER 6 15.311 7.693 10.485 25 HB3 SER 6 2HB SER 6 15.430 9.203 11.388 26 HG SER 6 HG SER 6 14.372 10.104 9.376 27 H GLY 7 H GLY 7 17.527 6.842 9.041 28 HA2 GLY 7 1HA GLY 7 17.874 6.951 6.299 29 HA3 GLY 7 2HA GLY 7 17.566 5.473 7.198 30 H ILE 8 H ILE 8 16.678 6.162 4.526 31 HA ILE 8 HA ILE 8 13.764 6.120 4.967 32 HB ILE 8 HB ILE 8 15.183 7.116 2.495 33 HG12 ILE 8 1HG1 ILE 8 13.983 9.308 3.428 34 HG13 ILE 8 2HG1 ILE 8 14.229 8.486 4.964 35 HG21 ILE 8 1HG2 ILE 8 13.144 7.507 1.553 36 HG22 ILE 8 2HG2 ILE 8 12.742 6.097 2.531 37 HG23 ILE 8 3HG2 ILE 8 12.340 7.713 3.109 38 HD11 ILE 8 1HD1 ILE 8 16.026 10.123 3.755 39 HD12 ILE 8 2HD1 ILE 8 16.421 8.899 4.962 40 HD13 ILE 8 3HD1 ILE 8 16.590 8.532 3.246 41 H LEU 9 H LEU 9 12.855 4.236 4.517 42 HA LEU 9 HA LEU 9 14.250 2.375 2.728 43 HB2 LEU 9 1HB LEU 9 12.403 2.067 5.032 44 HB3 LEU 9 2HB LEU 9 12.353 0.837 3.772 45 HG LEU 9 HG LEU 9 13.781 0.112 5.578 46 HD11 LEU 9 1HD1 LEU 9 15.079 -0.872 4.077 47 HD12 LEU 9 2HD1 LEU 9 15.994 0.617 3.844 48 HD13 LEU 9 3HD1 LEU 9 14.552 0.308 2.878 49 HD21 LEU 9 1HD2 LEU 9 16.031 1.567 5.656 50 HD22 LEU 9 2HD2 LEU 9 14.667 1.838 6.741 51 HD23 LEU 9 3HD2 LEU 9 14.867 2.846 5.306 52 H PHE 10 H PHE 10 11.097 3.854 3.326 53 HA PHE 10 HA PHE 10 10.014 2.677 0.891 54 HB2 PHE 10 1HB PHE 10 8.842 3.206 3.273 55 HB3 PHE 10 2HB PHE 10 8.419 4.669 2.389 56 HD1 PHE 10 2HD PHE 10 8.727 1.144 1.235 57 HD2 PHE 10 1HD PHE 10 6.181 4.496 1.862 58 HE1 PHE 10 2HE PHE 10 6.882 -0.058 0.138 59 HE2 PHE 10 1HE PHE 10 4.330 3.299 0.767 60 HZ PHE 10 HZ PHE 10 4.680 1.020 -0.098 61 H ILE 11 H ILE 11 11.522 3.830 -0.502 62 HA ILE 11 HA ILE 11 11.902 6.520 -0.750 63 HB ILE 11 HB ILE 11 12.983 4.829 -2.191 64 HG12 ILE 11 1HG1 ILE 11 12.496 6.230 -4.418 65 HG13 ILE 11 2HG1 ILE 11 11.723 7.305 -3.259 66 HG21 ILE 11 1HG2 ILE 11 11.039 3.471 -2.713 67 HG22 ILE 11 2HG2 ILE 11 10.336 4.800 -3.634 68 HG23 ILE 11 3HG2 ILE 11 11.817 4.024 -4.195 69 HD11 ILE 11 1HD1 ILE 11 14.585 6.380 -3.188 70 HD12 ILE 11 2HD1 ILE 11 14.008 7.978 -3.662 71 HD13 ILE 11 3HD1 ILE 11 13.816 7.428 -1.997 72 H GLU 12 H GLU 12 9.147 4.650 -1.958 73 HA GLU 12 HA GLU 12 7.775 7.192 -2.542 74 HB2 GLU 12 1HB GLU 12 8.261 5.333 -4.374 75 HB3 GLU 12 2HB GLU 12 6.808 4.616 -3.691 76 HG2 GLU 12 1HG GLU 12 5.980 5.881 -5.428 77 HG3 GLU 12 2HG GLU 12 5.765 6.948 -4.042 78 H LYS 13 H LYS 13 5.455 7.232 -2.152 79 HA LYS 13 HA LYS 13 4.483 5.268 -0.211 80 HB2 LYS 13 1HB LYS 13 4.313 8.253 0.238 81 HB3 LYS 13 2HB LYS 13 3.696 6.998 1.305 82 HG2 LYS 13 1HG LYS 13 5.780 6.436 2.078 83 HG3 LYS 13 2HG LYS 13 6.595 7.013 0.622 84 HD2 LYS 13 1HD LYS 13 5.161 9.003 2.303 85 HD3 LYS 13 2HD LYS 13 6.688 8.355 2.907 86 HE2 LYS 13 1HE LYS 13 7.638 8.940 0.610 87 HE3 LYS 13 2HE LYS 13 6.171 9.889 0.375 88 HZ1 LYS 13 1HZ LYS 13 6.910 11.486 1.723 89 HZ2 LYS 13 2HZ LYS 13 8.438 10.786 1.537 90 HZ3 LYS 13 3HZ LYS 13 7.489 10.397 2.882 91 HA PRO 14 HA PRO 14 0.919 5.601 -2.817 92 HB2 PRO 14 1HB PRO 14 -0.756 4.113 -1.284 93 HB3 PRO 14 2HB PRO 14 0.522 3.403 -2.277 94 HG2 PRO 14 1HG PRO 14 0.510 3.989 0.658 95 HG3 PRO 14 2HG PRO 14 1.109 2.554 -0.194 96 HD2 PRO 14 1HD PRO 14 2.752 4.519 0.686 97 HD3 PRO 14 2HD PRO 14 3.091 3.575 -0.779 98 H GLN 15 H GLN 15 -0.069 7.530 -2.880 99 HA GLN 15 HA GLN 15 -1.093 8.759 -0.459 100 HB2 GLN 15 1HB GLN 15 -0.981 9.689 -3.329 101 HB3 GLN 15 2HB GLN 15 -1.706 10.631 -2.034 102 HG2 GLN 15 1HG GLN 15 1.164 9.929 -2.474 103 HG3 GLN 15 2HG GLN 15 0.426 11.511 -2.229 104 HE21 GLN 15 1HE2 GLN 15 2.422 9.433 -0.841 105 HE22 GLN 15 2HE2 GLN 15 2.090 9.719 0.830 106 H GLY 16 H GLY 16 -2.318 6.290 -1.517 107 HA2 GLY 16 1HA GLY 16 -4.387 5.447 -2.147 108 HA3 GLY 16 2HA GLY 16 -4.919 6.559 -0.894 109 H GLY 17 H GLY 17 -6.911 6.768 -2.063 110 HA2 GLY 17 1HA GLY 17 -7.145 9.079 -3.566 111 HA3 GLY 17 2HA GLY 17 -6.990 7.769 -4.727 112 H THR 18 H THR 18 -9.117 8.275 -5.467 113 HA THR 18 HA THR 18 -11.182 7.010 -3.814 114 HB THR 18 HB THR 18 -11.742 9.560 -5.325 115 HG1 THR 18 1HG THR 18 -10.582 9.185 -2.851 116 HG21 THR 18 1HG2 THR 18 -13.259 7.839 -3.390 117 HG22 THR 18 2HG2 THR 18 -13.755 8.426 -4.977 118 HG23 THR 18 3HG2 THR 18 -13.670 9.539 -3.612 119 H VAL 19 H VAL 19 -11.953 5.369 -4.958 120 HA VAL 19 HA VAL 19 -12.110 5.633 -7.888 121 HB VAL 19 HB VAL 19 -10.658 3.805 -7.111 122 HG11 VAL 19 1HG1 VAL 19 -11.589 3.208 -5.022 123 HG12 VAL 19 2HG1 VAL 19 -13.167 2.873 -5.737 124 HG13 VAL 19 3HG1 VAL 19 -11.802 1.806 -6.069 125 HG21 VAL 19 1HG2 VAL 19 -11.443 3.247 -9.178 126 HG22 VAL 19 2HG2 VAL 19 -12.127 1.914 -8.249 127 HG23 VAL 19 3HG2 VAL 19 -13.132 3.299 -8.675 128 H LYS 20 H LYS 20 -13.998 5.191 -8.955 129 HA LYS 20 HA LYS 20 -16.421 5.448 -7.460 130 HB2 LYS 20 1HB LYS 20 -15.922 6.342 -9.813 131 HB3 LYS 20 2HB LYS 20 -16.236 4.705 -10.373 132 HG2 LYS 20 1HG LYS 20 -18.237 5.939 -10.651 133 HG3 LYS 20 2HG LYS 20 -18.484 4.857 -9.279 134 HD2 LYS 20 1HD LYS 20 -19.367 6.950 -8.626 135 HD3 LYS 20 2HD LYS 20 -17.814 6.802 -7.799 136 HE2 LYS 20 1HE LYS 20 -17.612 8.927 -8.603 137 HE3 LYS 20 2HE LYS 20 -16.949 8.035 -9.972 138 HZ1 LYS 20 1HZ LYS 20 -19.800 8.826 -9.783 139 HZ2 LYS 20 2HZ LYS 20 -18.979 8.237 -11.140 140 HZ3 LYS 20 3HZ LYS 20 -18.625 9.779 -10.541 141 H VAL 21 H VAL 21 -18.177 3.969 -7.402 142 HA VAL 21 HA VAL 21 -17.482 1.331 -6.771 143 HB VAL 21 HB VAL 21 -20.179 2.496 -7.468 144 HG11 VAL 21 1HG1 VAL 21 -20.263 0.161 -5.787 145 HG12 VAL 21 2HG1 VAL 21 -21.105 0.481 -7.304 146 HG13 VAL 21 3HG1 VAL 21 -19.480 -0.206 -7.323 147 HG21 VAL 21 1HG2 VAL 21 -20.316 2.061 -4.856 148 HG22 VAL 21 2HG2 VAL 21 -18.569 2.266 -4.983 149 HG23 VAL 21 3HG2 VAL 21 -19.649 3.554 -5.518 150 H GLY 22 H GLY 22 -16.938 -0.300 -8.052 151 HA2 GLY 22 1HA GLY 22 -17.409 -1.862 -9.777 152 HA3 GLY 22 2HA GLY 22 -18.314 -0.615 -10.622 153 H GLU 23 H GLU 23 -15.904 1.206 -9.941 154 HA GLU 23 HA GLU 23 -14.579 0.798 -12.454 155 HB2 GLU 23 1HB GLU 23 -14.554 2.853 -10.318 156 HB3 GLU 23 2HB GLU 23 -13.090 2.711 -11.281 157 HG2 GLU 23 1HG GLU 23 -14.448 4.376 -12.281 158 HG3 GLU 23 2HG GLU 23 -14.498 2.956 -13.324 159 H ASP 24 H ASP 24 -12.032 1.199 -12.305 160 HA ASP 24 HA ASP 24 -10.955 -0.746 -10.371 161 HB2 ASP 24 1HB ASP 24 -9.566 -1.720 -12.032 162 HB3 ASP 24 2HB ASP 24 -11.170 -1.608 -12.753 163 H ILE 25 H ILE 25 -9.327 -0.017 -9.173 164 HA ILE 25 HA ILE 25 -7.828 2.332 -10.132 165 HB ILE 25 HB ILE 25 -9.276 3.033 -8.326 166 HG12 ILE 25 1HG1 ILE 25 -6.527 2.738 -7.124 167 HG13 ILE 25 2HG1 ILE 25 -6.835 3.804 -8.490 168 HG21 ILE 25 1HG2 ILE 25 -7.969 0.887 -6.658 169 HG22 ILE 25 2HG2 ILE 25 -9.180 2.046 -6.113 170 HG23 ILE 25 3HG2 ILE 25 -9.608 0.820 -7.307 171 HD11 ILE 25 1HD1 ILE 25 -7.225 4.286 -5.717 172 HD12 ILE 25 2HD1 ILE 25 -7.439 5.387 -7.078 173 HD13 ILE 25 3HD1 ILE 25 -8.782 4.381 -6.539 174 H THR 26 H THR 26 -5.639 2.517 -9.383 175 HA THR 26 HA THR 26 -4.453 0.059 -8.309 176 HB THR 26 HB THR 26 -3.149 1.477 -10.621 177 HG1 THR 26 1HG THR 26 -4.691 -0.886 -10.901 178 HG21 THR 26 1HG2 THR 26 -1.998 -0.682 -10.873 179 HG22 THR 26 2HG2 THR 26 -2.887 -1.310 -9.485 180 HG23 THR 26 3HG2 THR 26 -1.739 0.012 -9.273 181 H PHE 27 H PHE 27 -2.781 0.383 -6.933 182 HA PHE 27 HA PHE 27 -1.975 3.176 -6.475 183 HB2 PHE 27 1HB PHE 27 -1.772 0.870 -4.532 184 HB3 PHE 27 2HB PHE 27 -1.531 2.579 -4.183 185 HD1 PHE 27 1HD PHE 27 -4.092 0.132 -5.293 186 HD2 PHE 27 2HD PHE 27 -3.307 3.900 -3.474 187 HE1 PHE 27 1HE PHE 27 -6.473 0.342 -4.708 188 HE2 PHE 27 2HE PHE 27 -5.686 4.115 -2.886 189 HZ PHE 27 HZ PHE 27 -7.273 2.335 -3.502 190 H ILE 28 H ILE 28 0.195 3.695 -6.176 191 HA ILE 28 HA ILE 28 2.083 1.657 -7.152 192 HB ILE 28 HB ILE 28 2.210 4.667 -7.335 193 HG12 ILE 28 1HG1 ILE 28 0.746 3.573 -8.981 194 HG13 ILE 28 2HG1 ILE 28 2.169 4.263 -9.753 195 HG21 ILE 28 1HG2 ILE 28 4.328 4.312 -8.564 196 HG22 ILE 28 2HG2 ILE 28 4.426 3.844 -6.867 197 HG23 ILE 28 3HG2 ILE 28 4.269 2.608 -8.115 198 HD11 ILE 28 1HD1 ILE 28 3.193 2.033 -9.802 199 HD12 ILE 28 2HD1 ILE 28 1.724 1.363 -9.092 200 HD13 ILE 28 3HD1 ILE 28 1.672 2.102 -10.692 201 H ALA 29 H ALA 29 3.726 1.034 -5.895 202 HA ALA 29 HA ALA 29 4.668 2.733 -3.732 203 HB1 ALA 29 1HB ALA 29 2.701 1.133 -3.011 204 HB2 ALA 29 2HB ALA 29 4.003 -0.054 -2.935 205 HB3 ALA 29 3HB ALA 29 4.089 1.413 -1.959 206 H LYS 30 H LYS 30 6.787 2.766 -4.063 207 HA LYS 30 HA LYS 30 8.127 0.282 -4.903 208 HB2 LYS 30 1HB LYS 30 8.787 3.181 -5.380 209 HB3 LYS 30 2HB LYS 30 9.989 1.914 -5.590 210 HG2 LYS 30 1HG LYS 30 8.982 1.072 -7.456 211 HG3 LYS 30 2HG LYS 30 7.374 1.609 -6.966 212 HD2 LYS 30 1HD LYS 30 9.420 3.683 -7.562 213 HD3 LYS 30 2HD LYS 30 8.715 2.800 -8.918 214 HE2 LYS 30 1HE LYS 30 6.462 3.402 -8.065 215 HE3 LYS 30 2HE LYS 30 7.234 4.382 -6.819 216 HZ1 LYS 30 1HZ LYS 30 8.392 5.273 -9.091 217 HZ2 LYS 30 2HZ LYS 30 7.087 6.014 -8.312 218 HZ3 LYS 30 3HZ LYS 30 6.811 4.959 -9.605 219 H VAL 31 H VAL 31 10.325 -0.052 -4.070 220 HA VAL 31 HA VAL 31 10.829 1.226 -1.476 221 HB VAL 31 HB VAL 31 10.872 -1.759 -1.948 222 HG11 VAL 31 1HG1 VAL 31 11.823 -2.065 0.119 223 HG12 VAL 31 2HG1 VAL 31 12.634 -0.585 -0.398 224 HG13 VAL 31 3HG1 VAL 31 11.275 -0.502 0.724 225 HG21 VAL 31 1HG2 VAL 31 8.768 -1.772 -1.240 226 HG22 VAL 31 2HG2 VAL 31 9.258 -0.978 0.257 227 HG23 VAL 31 3HG2 VAL 31 8.786 -0.011 -1.140 228 H LYS 32 H LYS 32 12.921 1.681 -1.092 229 HA LYS 32 HA LYS 32 14.822 1.295 -3.205 230 HB2 LYS 32 1HB LYS 32 14.590 3.313 -1.604 231 HB3 LYS 32 2HB LYS 32 15.492 2.328 -0.462 232 HG2 LYS 32 1HG LYS 32 17.142 3.590 -1.468 233 HG3 LYS 32 2HG LYS 32 17.203 2.079 -2.378 234 HD2 LYS 32 1HD LYS 32 15.447 3.359 -3.897 235 HD3 LYS 32 2HD LYS 32 16.255 4.771 -3.212 236 HE2 LYS 32 1HE LYS 32 18.429 3.491 -3.880 237 HE3 LYS 32 2HE LYS 32 17.353 2.617 -4.969 238 HZ1 LYS 32 1HZ LYS 32 18.187 4.404 -6.204 239 HZ2 LYS 32 2HZ LYS 32 17.969 5.511 -4.944 240 HZ3 LYS 32 3HZ LYS 32 16.627 4.888 -5.764 241 H ALA 33 H ALA 33 15.906 -0.531 -3.488 242 HA ALA 33 HA ALA 33 16.781 -2.029 -1.104 243 HB1 ALA 33 1HB ALA 33 14.954 -3.050 -2.644 244 HB2 ALA 33 2HB ALA 33 16.308 -3.392 -3.721 245 HB3 ALA 33 3HB ALA 33 16.290 -4.059 -2.089 246 H GLU 34 H GLU 34 18.851 -2.875 -1.107 247 HA GLU 34 HA GLU 34 20.607 -1.859 -3.239 248 HB2 GLU 34 1HB GLU 34 21.369 -2.622 -0.416 249 HB3 GLU 34 2HB GLU 34 22.405 -1.859 -1.614 250 HG2 GLU 34 1HG GLU 34 21.017 0.135 -1.571 251 HG3 GLU 34 2HG GLU 34 19.938 -0.629 -0.406 252 H ASP 35 H ASP 35 20.233 -4.602 -1.001 253 HA ASP 35 HA ASP 35 21.995 -6.250 -2.598 254 HB2 ASP 35 1HB ASP 35 21.649 -6.266 0.001 255 HB3 ASP 35 2HB ASP 35 20.292 -7.322 -0.378 256 H LEU 36 H LEU 36 21.301 -8.409 -3.344 257 HA LEU 36 HA LEU 36 18.621 -8.246 -4.535 258 HB2 LEU 36 1HB LEU 36 20.935 -9.994 -5.350 259 HB3 LEU 36 2HB LEU 36 19.419 -9.776 -6.221 260 HG LEU 36 HG LEU 36 21.616 -7.742 -5.859 261 HD11 LEU 36 1HD1 LEU 36 20.628 -8.512 -8.520 262 HD12 LEU 36 2HD1 LEU 36 21.508 -9.762 -7.643 263 HD13 LEU 36 3HD1 LEU 36 22.271 -8.205 -7.960 264 HD21 LEU 36 1HD2 LEU 36 18.791 -7.405 -6.413 265 HD22 LEU 36 2HD2 LEU 36 19.802 -6.780 -7.717 266 HD23 LEU 36 3HD2 LEU 36 20.027 -6.195 -6.067 267 H LEU 37 H LEU 37 20.801 -10.400 -2.781 268 HA LEU 37 HA LEU 37 19.368 -12.738 -2.742 269 HB2 LEU 37 1HB LEU 37 21.043 -11.418 -0.630 270 HB3 LEU 37 2HB LEU 37 20.315 -13.002 -0.377 271 HG LEU 37 HG LEU 37 22.646 -13.205 -1.037 272 HD11 LEU 37 1HD1 LEU 37 20.848 -14.835 -1.798 273 HD12 LEU 37 2HD1 LEU 37 22.377 -14.864 -2.674 274 HD13 LEU 37 3HD1 LEU 37 20.973 -14.063 -3.379 275 HD21 LEU 37 1HD2 LEU 37 21.934 -12.010 -3.698 276 HD22 LEU 37 2HD2 LEU 37 23.530 -12.374 -3.043 277 HD23 LEU 37 3HD2 LEU 37 22.588 -11.037 -2.381 278 H ARG 38 H ARG 38 18.932 -9.915 -0.639 279 HA ARG 38 HA ARG 38 16.669 -11.131 0.695 280 HB2 ARG 38 1HB ARG 38 17.776 -8.324 0.902 281 HB3 ARG 38 2HB ARG 38 16.561 -9.031 1.958 282 HG2 ARG 38 1HG ARG 38 19.167 -10.427 1.699 283 HG3 ARG 38 2HG ARG 38 19.106 -8.932 2.633 284 HD2 ARG 38 1HD ARG 38 17.381 -9.849 4.057 285 HD3 ARG 38 2HD ARG 38 17.305 -11.310 3.073 286 HE ARG 38 HE ARG 38 19.929 -10.985 4.001 287 HH11 ARG 38 2HH1 ARG 38 16.744 -11.713 5.203 288 HH12 ARG 38 1HH1 ARG 38 17.321 -12.659 6.535 289 HH21 ARG 38 2HH2 ARG 38 20.701 -12.229 5.751 290 HH22 ARG 38 1HH2 ARG 38 19.572 -12.951 6.846 291 H LYS 39 H LYS 39 14.554 -10.728 0.329 292 HA LYS 39 HA LYS 39 13.897 -8.811 -1.812 293 HB2 LYS 39 1HB LYS 39 13.630 -11.440 -2.121 294 HB3 LYS 39 2HB LYS 39 12.118 -11.141 -1.274 295 HG2 LYS 39 1HG LYS 39 12.815 -9.433 -3.609 296 HG3 LYS 39 2HG LYS 39 12.239 -11.078 -3.888 297 HD2 LYS 39 1HD LYS 39 10.778 -9.128 -2.123 298 HD3 LYS 39 2HD LYS 39 10.481 -9.244 -3.859 299 HE2 LYS 39 1HE LYS 39 9.607 -11.389 -3.692 300 HE3 LYS 39 2HE LYS 39 10.385 -11.691 -2.139 301 HZ1 LYS 39 1HZ LYS 39 7.843 -10.460 -2.713 302 HZ2 LYS 39 2HZ LYS 39 8.770 -9.609 -1.583 303 HZ3 LYS 39 3HZ LYS 39 8.379 -11.231 -1.305 304 HA PRO 40 HA PRO 40 11.543 -6.932 1.481 305 HB2 PRO 40 1HB PRO 40 10.605 -4.867 -0.010 306 HB3 PRO 40 2HB PRO 40 12.250 -4.917 0.635 307 HG2 PRO 40 1HG PRO 40 11.272 -5.581 -2.116 308 HG3 PRO 40 2HG PRO 40 12.710 -4.663 -1.631 309 HD2 PRO 40 1HD PRO 40 12.828 -7.257 -2.397 310 HD3 PRO 40 2HD PRO 40 13.931 -6.567 -1.189 311 H THR 41 H THR 41 9.825 -8.237 1.922 312 HA THR 41 HA THR 41 7.740 -8.676 -0.039 313 HB THR 41 HB THR 41 7.700 -9.526 2.856 314 HG1 THR 41 1HG THR 41 9.480 -10.549 2.173 315 HG21 THR 41 1HG2 THR 41 6.384 -10.691 0.399 316 HG22 THR 41 2HG2 THR 41 5.579 -9.692 1.609 317 HG23 THR 41 3HG2 THR 41 6.213 -11.276 2.053 318 H ILE 42 H ILE 42 5.895 -7.571 -0.204 319 HA ILE 42 HA ILE 42 5.283 -5.593 1.887 320 HB ILE 42 HB ILE 42 5.717 -4.660 -0.356 321 HG12 ILE 42 1HG1 ILE 42 2.789 -4.263 0.073 322 HG13 ILE 42 2HG1 ILE 42 3.886 -3.849 1.387 323 HG21 ILE 42 1HG2 ILE 42 3.166 -5.614 -1.461 324 HG22 ILE 42 2HG2 ILE 42 4.724 -5.362 -2.248 325 HG23 ILE 42 3HG2 ILE 42 4.431 -6.835 -1.323 326 HD11 ILE 42 1HD1 ILE 42 3.354 -2.468 -1.117 327 HD12 ILE 42 2HD1 ILE 42 4.018 -1.861 0.400 328 HD13 ILE 42 3HD1 ILE 42 5.072 -2.657 -0.768 329 H LYS 43 H LYS 43 3.198 -5.387 2.686 330 HA LYS 43 HA LYS 43 1.215 -7.369 1.830 331 HB2 LYS 43 1HB LYS 43 2.531 -8.184 3.843 332 HB3 LYS 43 2HB LYS 43 1.811 -6.856 4.744 333 HG2 LYS 43 1HG LYS 43 0.355 -8.520 5.272 334 HG3 LYS 43 2HG LYS 43 -0.428 -7.894 3.820 335 HD2 LYS 43 1HD LYS 43 -0.406 -10.237 3.562 336 HD3 LYS 43 2HD LYS 43 0.899 -9.640 2.534 337 HE2 LYS 43 1HE LYS 43 2.426 -10.068 4.541 338 HE3 LYS 43 2HE LYS 43 1.086 -11.002 5.205 339 HZ1 LYS 43 1HZ LYS 43 1.917 -12.692 4.049 340 HZ2 LYS 43 2HZ LYS 43 2.940 -11.698 3.139 341 HZ3 LYS 43 3HZ LYS 43 1.335 -11.927 2.656 342 H TRP 44 H TRP 44 -0.565 -6.302 1.306 343 HA TRP 44 HA TRP 44 -1.058 -3.642 2.332 344 HB2 TRP 44 1HB TRP 44 -2.743 -5.309 0.452 345 HB3 TRP 44 2HB TRP 44 -2.905 -3.581 0.748 346 HD1 TRP 44 HD TRP 44 -0.525 -6.103 -0.927 347 HE1 TRP 44 1HE TRP 44 0.886 -4.844 -2.674 348 HE3 TRP 44 3HE TRP 44 -2.053 -1.330 0.082 349 HZ2 TRP 44 2HZ TRP 44 1.296 -2.180 -3.513 350 HZ3 TRP 44 3HZ TRP 44 -1.103 0.517 -1.237 351 HH2 TRP 44 HH TRP 44 0.538 0.099 -2.996 352 H PHE 45 H PHE 45 -2.545 -3.055 3.812 353 HA PHE 45 HA PHE 45 -4.352 -5.137 4.845 354 HB2 PHE 45 1HB PHE 45 -2.603 -3.225 6.381 355 HB3 PHE 45 2HB PHE 45 -4.023 -3.967 7.110 356 HD1 PHE 45 1HD PHE 45 -4.133 -6.448 7.325 357 HD2 PHE 45 2HD PHE 45 -0.588 -4.417 6.132 358 HE1 PHE 45 1HE PHE 45 -2.806 -8.445 7.879 359 HE2 PHE 45 2HE PHE 45 0.744 -6.410 6.683 360 HZ PHE 45 HZ PHE 45 -0.364 -8.428 7.557 361 H LYS 46 H LYS 46 -6.184 -4.201 6.130 362 HA LYS 46 HA LYS 46 -6.915 -1.472 5.444 363 HB2 LYS 46 1HB LYS 46 -7.684 -3.272 3.654 364 HB3 LYS 46 2HB LYS 46 -8.965 -3.552 4.827 365 HG2 LYS 46 1HG LYS 46 -8.420 -0.744 4.062 366 HG3 LYS 46 2HG LYS 46 -9.183 -1.785 2.858 367 HD2 LYS 46 1HD LYS 46 -10.776 -2.434 4.802 368 HD3 LYS 46 2HD LYS 46 -10.190 -0.946 5.550 369 HE2 LYS 46 1HE LYS 46 -12.192 -0.427 4.355 370 HE3 LYS 46 2HE LYS 46 -10.837 0.265 3.464 371 HZ1 LYS 46 1HZ LYS 46 -12.773 -1.354 2.438 372 HZ2 LYS 46 2HZ LYS 46 -11.453 -2.396 2.618 373 HZ3 LYS 46 3HZ LYS 46 -11.297 -0.983 1.700 374 H GLY 47 H GLY 47 -8.701 -0.663 6.674 375 HA2 GLY 47 1HA GLY 47 -9.993 -0.458 8.561 376 HA3 GLY 47 2HA GLY 47 -10.124 -2.210 8.562 377 H LYS 48 H LYS 48 -9.678 -2.852 10.569 378 HA LYS 48 HA LYS 48 -7.402 -1.632 11.969 379 HB2 LYS 48 1HB LYS 48 -9.932 -2.928 12.864 380 HB3 LYS 48 2HB LYS 48 -8.523 -3.067 13.906 381 HG2 LYS 48 1HG LYS 48 -9.257 -0.377 12.879 382 HG3 LYS 48 2HG LYS 48 -10.237 -1.090 14.163 383 HD2 LYS 48 1HD LYS 48 -7.900 -1.558 15.259 384 HD3 LYS 48 2HD LYS 48 -7.372 -0.251 14.197 385 HE2 LYS 48 1HE LYS 48 -9.687 -0.046 16.117 386 HE3 LYS 48 2HE LYS 48 -8.046 0.481 16.488 387 HZ1 LYS 48 1HZ LYS 48 -9.825 2.131 15.532 388 HZ2 LYS 48 2HZ LYS 48 -9.305 1.502 14.050 389 HZ3 LYS 48 3HZ LYS 48 -8.197 2.251 15.087 390 H TRP 49 H TRP 49 -8.901 -4.815 11.412 391 HA TRP 49 HA TRP 49 -6.208 -5.989 11.442 392 HB2 TRP 49 1HB TRP 49 -8.483 -7.557 12.582 393 HB3 TRP 49 2HB TRP 49 -6.759 -7.674 12.924 394 HD1 TRP 49 HD TRP 49 -9.694 -5.237 13.633 395 HE1 TRP 49 1HE TRP 49 -9.274 -4.138 15.922 396 HE3 TRP 49 3HE TRP 49 -5.127 -7.279 14.685 397 HZ2 TRP 49 2HZ TRP 49 -7.270 -4.137 17.910 398 HZ3 TRP 49 3HZ TRP 49 -4.026 -6.677 16.802 399 HH2 TRP 49 HH TRP 49 -5.076 -5.137 18.379 400 H MET 50 H MET 50 -7.726 -5.233 9.182 401 HA MET 50 HA MET 50 -8.748 -7.762 8.115 402 HB2 MET 50 1HB MET 50 -9.870 -5.364 7.927 403 HB3 MET 50 2HB MET 50 -8.804 -5.233 6.535 404 HG2 MET 50 1HG MET 50 -9.785 -7.262 5.593 405 HG3 MET 50 2HG MET 50 -10.854 -7.389 6.988 406 HE1 MET 50 1HE MET 50 -11.354 -4.796 3.300 407 HE2 MET 50 2HE MET 50 -9.770 -5.181 3.974 408 HE3 MET 50 3HE MET 50 -10.826 -6.476 3.406 409 H ASP 51 H ASP 51 -7.733 -8.885 6.551 410 HA ASP 51 HA ASP 51 -5.189 -7.790 5.552 411 HB2 ASP 51 1HB ASP 51 -5.208 -9.919 6.986 412 HB3 ASP 51 2HB ASP 51 -5.927 -10.711 5.587 413 H LEU 52 H LEU 52 -5.249 -7.131 3.516 414 HA LEU 52 HA LEU 52 -7.361 -7.847 1.733 415 HB2 LEU 52 1HB LEU 52 -4.775 -6.401 1.177 416 HB3 LEU 52 2HB LEU 52 -6.169 -6.474 0.101 417 HG LEU 52 HG LEU 52 -6.142 -5.157 2.816 418 HD11 LEU 52 1HD1 LEU 52 -6.510 -3.134 1.138 419 HD12 LEU 52 2HD1 LEU 52 -5.549 -4.172 0.084 420 HD13 LEU 52 3HD1 LEU 52 -4.903 -3.659 1.643 421 HD21 LEU 52 1HD2 LEU 52 -8.284 -6.117 1.366 422 HD22 LEU 52 2HD2 LEU 52 -8.218 -4.410 0.925 423 HD23 LEU 52 3HD2 LEU 52 -8.345 -4.879 2.621 424 H ALA 53 H ALA 53 -3.955 -8.724 2.043 425 HA ALA 53 HA ALA 53 -3.382 -10.027 -0.252 426 HB1 ALA 53 1HB ALA 53 -1.926 -11.500 1.004 427 HB2 ALA 53 2HB ALA 53 -1.862 -9.870 1.676 428 HB3 ALA 53 3HB ALA 53 -2.792 -11.124 2.494 429 H SER 54 H SER 54 -5.362 -11.312 2.391 430 HA SER 54 HA SER 54 -5.804 -13.834 1.112 431 HB2 SER 54 1HB SER 54 -5.929 -13.750 3.513 432 HB3 SER 54 2HB SER 54 -7.155 -12.484 3.457 433 HG SER 54 HG SER 54 -8.490 -14.075 2.340 434 H LYS 55 H LYS 55 -7.547 -10.788 1.333 435 HA LYS 55 HA LYS 55 -9.972 -11.672 0.189 436 HB2 LYS 55 1HB LYS 55 -8.790 -8.892 0.078 437 HB3 LYS 55 2HB LYS 55 -10.483 -9.321 -0.126 438 HG2 LYS 55 1HG LYS 55 -8.973 -9.888 2.406 439 HG3 LYS 55 2HG LYS 55 -9.810 -8.361 2.114 440 HD2 LYS 55 1HD LYS 55 -11.866 -9.802 1.604 441 HD3 LYS 55 2HD LYS 55 -10.969 -11.123 2.359 442 HE2 LYS 55 1HE LYS 55 -10.637 -9.375 4.286 443 HE3 LYS 55 2HE LYS 55 -12.063 -8.625 3.571 444 HZ1 LYS 55 1HZ LYS 55 -12.621 -11.325 3.759 445 HZ2 LYS 55 2HZ LYS 55 -13.273 -10.079 4.699 446 HZ3 LYS 55 3HZ LYS 55 -11.899 -10.910 5.232 447 H ALA 56 H ALA 56 -6.948 -10.564 -1.185 448 HA ALA 56 HA ALA 56 -7.717 -9.993 -3.786 449 HB1 ALA 56 1HB ALA 56 -5.544 -9.541 -3.822 450 HB2 ALA 56 2HB ALA 56 -5.256 -10.547 -2.401 451 HB3 ALA 56 3HB ALA 56 -5.243 -11.269 -4.010 452 H GLY 57 H GLY 57 -9.006 -11.244 -4.990 453 HA2 GLY 57 1HA GLY 57 -8.122 -13.979 -5.546 454 HA3 GLY 57 2HA GLY 57 -9.756 -13.764 -4.938 455 H LYS 58 H LYS 58 -11.041 -12.045 -6.201 456 HA LYS 58 HA LYS 58 -10.451 -12.307 -9.075 457 HB2 LYS 58 1HB LYS 58 -13.290 -12.154 -8.213 458 HB3 LYS 58 2HB LYS 58 -12.572 -13.006 -9.574 459 HG2 LYS 58 1HG LYS 58 -11.539 -14.482 -7.638 460 HG3 LYS 58 2HG LYS 58 -12.955 -13.886 -6.769 461 HD2 LYS 58 1HD LYS 58 -13.099 -15.168 -9.492 462 HD3 LYS 58 2HD LYS 58 -13.265 -16.072 -7.984 463 HE2 LYS 58 1HE LYS 58 -15.003 -13.759 -8.840 464 HE3 LYS 58 2HE LYS 58 -15.441 -15.462 -8.959 465 HZ1 LYS 58 1HZ LYS 58 -14.938 -15.458 -6.438 466 HZ2 LYS 58 2HZ LYS 58 -16.413 -14.837 -6.987 467 HZ3 LYS 58 3HZ LYS 58 -15.160 -13.784 -6.558 468 H HIS 59 H HIS 59 -12.540 -10.540 -6.784 469 HA HIS 59 HA HIS 59 -12.894 -8.295 -8.466 470 HB2 HIS 59 1HB HIS 59 -13.222 -8.635 -5.482 471 HB3 HIS 59 2HB HIS 59 -13.662 -7.165 -6.345 472 HD1 HIS 59 1HD HIS 59 -15.476 -7.642 -8.383 473 HD2 HIS 59 2HD HIS 59 -15.254 -10.407 -5.290 474 HE1 HIS 59 1HE HIS 59 -17.630 -8.936 -8.482 475 HE2 HIS 59 2HE HIS 59 -17.509 -10.546 -6.548 476 H LEU 60 H LEU 60 -10.468 -9.156 -6.104 477 HA LEU 60 HA LEU 60 -9.088 -6.613 -6.660 478 HB2 LEU 60 1HB LEU 60 -9.637 -6.528 -4.390 479 HB3 LEU 60 2HB LEU 60 -9.281 -8.238 -4.150 480 HG LEU 60 HG LEU 60 -6.827 -7.398 -4.774 481 HD11 LEU 60 1HD1 LEU 60 -8.348 -4.974 -4.159 482 HD12 LEU 60 2HD1 LEU 60 -6.801 -5.170 -4.982 483 HD13 LEU 60 3HD1 LEU 60 -6.867 -5.163 -3.220 484 HD21 LEU 60 1HD2 LEU 60 -7.428 -6.737 -2.001 485 HD22 LEU 60 2HD2 LEU 60 -6.396 -8.002 -2.667 486 HD23 LEU 60 3HD2 LEU 60 -8.133 -8.268 -2.518 487 H GLN 61 H GLN 61 -6.874 -6.671 -7.040 488 HA GLN 61 HA GLN 61 -5.496 -9.228 -7.035 489 HB2 GLN 61 1HB GLN 61 -5.903 -7.624 -9.564 490 HB3 GLN 61 2HB GLN 61 -4.785 -8.972 -9.404 491 HG2 GLN 61 1HG GLN 61 -7.692 -9.316 -8.797 492 HG3 GLN 61 2HG GLN 61 -7.097 -9.379 -10.455 493 HE21 GLN 61 1HE2 GLN 61 -7.573 -11.089 -7.591 494 HE22 GLN 61 2HE2 GLN 61 -6.725 -12.532 -8.016 495 H LEU 62 H LEU 62 -3.471 -8.954 -6.367 496 HA LEU 62 HA LEU 62 -2.397 -6.245 -6.229 497 HB2 LEU 62 1HB LEU 62 -1.173 -8.740 -5.086 498 HB3 LEU 62 2HB LEU 62 -0.858 -7.067 -4.628 499 HG LEU 62 HG LEU 62 -3.409 -8.592 -4.103 500 HD11 LEU 62 1HD1 LEU 62 -1.090 -8.951 -2.802 501 HD12 LEU 62 2HD1 LEU 62 -2.669 -9.054 -2.023 502 HD13 LEU 62 3HD1 LEU 62 -1.725 -7.569 -1.908 503 HD21 LEU 62 1HD2 LEU 62 -4.026 -6.341 -4.346 504 HD22 LEU 62 2HD2 LEU 62 -2.564 -5.764 -3.545 505 HD23 LEU 62 3HD2 LEU 62 -3.824 -6.569 -2.608 506 H LYS 63 H LYS 63 -0.069 -5.924 -6.695 507 HA LYS 63 HA LYS 63 0.962 -7.700 -8.790 508 HB2 LYS 63 1HB LYS 63 -0.268 -5.462 -9.543 509 HB3 LYS 63 2HB LYS 63 1.302 -4.763 -9.166 510 HG2 LYS 63 1HG LYS 63 2.385 -6.193 -10.760 511 HG3 LYS 63 2HG LYS 63 0.882 -7.072 -11.053 512 HD2 LYS 63 1HD LYS 63 -0.052 -5.338 -12.254 513 HD3 LYS 63 2HD LYS 63 0.959 -4.117 -11.478 514 HE2 LYS 63 1HE LYS 63 2.064 -6.215 -13.330 515 HE3 LYS 63 2HE LYS 63 1.484 -4.651 -13.901 516 HZ1 LYS 63 1HZ LYS 63 3.315 -4.454 -11.695 517 HZ2 LYS 63 2HZ LYS 63 3.314 -3.635 -13.174 518 HZ3 LYS 63 3HZ LYS 63 4.002 -5.176 -13.062 519 H GLU 64 H GLU 64 3.206 -7.773 -8.972 520 HA GLU 64 HA GLU 64 4.834 -6.076 -7.273 521 HB2 GLU 64 1HB GLU 64 4.487 -7.651 -5.607 522 HB3 GLU 64 2HB GLU 64 4.371 -8.984 -6.748 523 HG2 GLU 64 1HG GLU 64 6.797 -8.790 -7.163 524 HG3 GLU 64 2HG GLU 64 6.878 -7.537 -5.927 525 H THR 65 H THR 65 6.745 -5.671 -8.196 526 HA THR 65 HA THR 65 7.914 -7.591 -10.055 527 HB THR 65 HB THR 65 6.436 -6.022 -11.380 528 HG1 THR 65 1HG THR 65 8.863 -6.924 -11.870 529 HG21 THR 65 1HG2 THR 65 6.755 -3.954 -10.231 530 HG22 THR 65 2HG2 THR 65 7.470 -3.772 -11.833 531 HG23 THR 65 3HG2 THR 65 8.504 -4.044 -10.431 532 H PHE 66 H PHE 66 10.142 -7.305 -10.405 533 HA PHE 66 HA PHE 66 11.430 -5.372 -8.591 534 HB2 PHE 66 1HB PHE 66 11.755 -7.574 -7.687 535 HB3 PHE 66 2HB PHE 66 12.242 -8.205 -9.257 536 HD1 PHE 66 1HD PHE 66 13.238 -5.627 -6.757 537 HD2 PHE 66 2HD PHE 66 14.485 -8.411 -9.726 538 HE1 PHE 66 1HE PHE 66 15.589 -5.149 -6.214 539 HE2 PHE 66 2HE PHE 66 16.838 -7.938 -9.187 540 HZ PHE 66 HZ PHE 66 17.393 -6.305 -7.428 541 H GLU 67 H GLU 67 13.254 -4.302 -9.312 542 HA GLU 67 HA GLU 67 14.020 -4.752 -12.117 543 HB2 GLU 67 1HB GLU 67 13.191 -2.210 -10.775 544 HB3 GLU 67 2HB GLU 67 14.385 -2.147 -12.063 545 HG2 GLU 67 1HG GLU 67 12.757 -3.371 -13.514 546 HG3 GLU 67 2HG GLU 67 11.562 -3.163 -12.235 547 H ARG 68 H ARG 68 15.881 -5.855 -11.464 548 HA ARG 68 HA ARG 68 17.706 -5.149 -9.531 549 HB2 ARG 68 1HB ARG 68 19.414 -6.213 -11.198 550 HB3 ARG 68 2HB ARG 68 18.140 -7.203 -10.500 551 HG2 ARG 68 1HG ARG 68 17.470 -5.880 -13.041 552 HG3 ARG 68 2HG ARG 68 18.722 -7.122 -13.124 553 HD2 ARG 68 1HD ARG 68 16.916 -8.392 -11.593 554 HD3 ARG 68 2HD ARG 68 15.837 -7.360 -12.532 555 HE ARG 68 HE ARG 68 17.780 -8.839 -14.080 556 HH11 ARG 68 2HH1 ARG 68 14.568 -8.773 -12.739 557 HH12 ARG 68 1HH1 ARG 68 13.936 -9.933 -13.860 558 HH21 ARG 68 2HH2 ARG 68 16.959 -10.367 -15.561 559 HH22 ARG 68 1HH2 ARG 68 15.297 -10.840 -15.464 560 H HIS 69 H HIS 69 17.348 -3.858 -12.782 561 HA HIS 69 HA HIS 69 19.593 -2.536 -13.351 562 HB2 HIS 69 1HB HIS 69 17.121 -0.857 -13.377 563 HB3 HIS 69 2HB HIS 69 18.356 -1.049 -14.617 564 HD1 HIS 69 1HD HIS 69 18.211 -4.159 -14.859 565 HD2 HIS 69 2HD HIS 69 14.934 -1.605 -14.846 566 HE1 HIS 69 1HE HIS 69 16.373 -5.418 -16.025 567 HE2 HIS 69 2HE HIS 69 14.426 -3.820 -16.081 568 H SER 70 H SER 70 17.120 -0.981 -11.298 569 HA SER 70 HA SER 70 19.243 0.675 -10.128 570 HB2 SER 70 1HB SER 70 17.523 2.220 -9.474 571 HB3 SER 70 2HB SER 70 17.222 1.779 -11.155 572 HG SER 70 HG SER 70 15.404 1.739 -9.518 573 H ARG 71 H ARG 71 17.704 -2.143 -9.495 574 HA ARG 71 HA ARG 71 17.506 -3.458 -7.650 575 HB2 ARG 71 1HB ARG 71 19.164 -1.298 -6.335 576 HB3 ARG 71 2HB ARG 71 18.840 -2.888 -5.657 577 HG2 ARG 71 1HG ARG 71 19.903 -3.751 -7.869 578 HG3 ARG 71 2HG ARG 71 20.592 -2.128 -7.946 579 HD2 ARG 71 1HD ARG 71 21.195 -2.690 -5.419 580 HD3 ARG 71 2HD ARG 71 21.127 -4.339 -6.040 581 HE ARG 71 HE ARG 71 23.062 -3.949 -7.209 582 HH11 ARG 71 2HH1 ARG 71 21.763 -0.925 -6.075 583 HH12 ARG 71 1HH1 ARG 71 23.163 -0.006 -6.521 584 HH21 ARG 71 2HH2 ARG 71 24.911 -2.751 -7.800 585 HH22 ARG 71 1HH2 ARG 71 24.953 -1.046 -7.503 586 H VAL 72 H VAL 72 15.450 -1.601 -8.249 587 HA VAL 72 HA VAL 72 14.419 -1.031 -5.545 588 HB VAL 72 HB VAL 72 13.837 0.477 -8.097 589 HG11 VAL 72 1HG1 VAL 72 11.878 0.249 -6.591 590 HG12 VAL 72 2HG1 VAL 72 12.817 1.024 -5.313 591 HG13 VAL 72 3HG1 VAL 72 12.425 1.914 -6.785 592 HG21 VAL 72 1HG2 VAL 72 14.797 2.366 -6.587 593 HG22 VAL 72 2HG2 VAL 72 15.541 1.033 -5.704 594 HG23 VAL 72 3HG2 VAL 72 15.900 1.267 -7.415 595 H TYR 73 H TYR 73 12.544 -1.955 -4.994 596 HA TYR 73 HA TYR 73 11.236 -3.678 -6.938 597 HB2 TYR 73 1HB TYR 73 11.021 -3.373 -3.949 598 HB3 TYR 73 2HB TYR 73 9.882 -4.355 -4.863 599 HD1 TYR 73 2HD TYR 73 13.553 -3.925 -4.342 600 HD2 TYR 73 1HD TYR 73 10.358 -6.595 -5.218 601 HE1 TYR 73 2HE TYR 73 15.118 -5.819 -4.246 602 HE2 TYR 73 1HE TYR 73 11.914 -8.497 -5.123 603 HH TYR 73 HH TYR 73 14.923 -8.431 -5.473 604 H THR 74 H THR 74 9.159 -3.468 -7.648 605 HA THR 74 HA THR 74 7.724 -1.025 -6.833 606 HB THR 74 HB THR 74 7.615 -2.261 -9.587 607 HG1 THR 74 1HG THR 74 9.705 -1.246 -8.857 608 HG21 THR 74 1HG2 THR 74 5.826 -0.601 -8.429 609 HG22 THR 74 2HG2 THR 74 6.171 -0.613 -10.158 610 HG23 THR 74 3HG2 THR 74 6.948 0.574 -9.112 611 H PHE 75 H PHE 75 6.031 -1.623 -5.646 612 HA PHE 75 HA PHE 75 4.517 -4.012 -6.463 613 HB2 PHE 75 1HB PHE 75 4.436 -2.700 -3.746 614 HB3 PHE 75 2HB PHE 75 3.828 -4.291 -4.194 615 HD1 PHE 75 1HD PHE 75 5.438 -6.109 -4.736 616 HD2 PHE 75 2HD PHE 75 6.682 -2.378 -3.110 617 HE1 PHE 75 1HE PHE 75 7.583 -7.117 -4.074 618 HE2 PHE 75 2HE PHE 75 8.830 -3.378 -2.448 619 HZ PHE 75 HZ PHE 75 9.283 -5.751 -2.930 620 H GLU 76 H GLU 76 2.385 -3.854 -6.921 621 HA GLU 76 HA GLU 76 1.070 -1.261 -6.473 622 HB2 GLU 76 1HB GLU 76 0.642 -2.890 -8.970 623 HB3 GLU 76 2HB GLU 76 0.157 -1.229 -8.659 624 HG2 GLU 76 1HG GLU 76 1.978 -1.050 -10.097 625 HG3 GLU 76 2HG GLU 76 2.642 -0.705 -8.502 626 H MET 77 H MET 77 -1.353 -1.438 -6.777 627 HA MET 77 HA MET 77 -2.364 -4.086 -6.010 628 HB2 MET 77 1HB MET 77 -2.049 -2.706 -3.969 629 HB3 MET 77 2HB MET 77 -3.140 -1.503 -4.644 630 HG2 MET 77 1HG MET 77 -4.996 -2.905 -4.450 631 HG3 MET 77 2HG MET 77 -3.998 -4.344 -4.254 632 HE1 MET 77 1HE MET 77 -4.288 -0.965 -1.212 633 HE2 MET 77 2HE MET 77 -4.450 -0.872 -2.966 634 HE3 MET 77 3HE MET 77 -5.815 -1.400 -1.981 635 H GLN 78 H GLN 78 -3.508 -4.537 -7.812 636 HA GLN 78 HA GLN 78 -5.148 -2.499 -9.070 637 HB2 GLN 78 1HB GLN 78 -3.756 -4.586 -10.095 638 HB3 GLN 78 2HB GLN 78 -5.358 -5.302 -9.982 639 HG2 GLN 78 1HG GLN 78 -6.254 -3.390 -11.272 640 HG3 GLN 78 2HG GLN 78 -4.606 -2.796 -11.466 641 HE21 GLN 78 1HE2 GLN 78 -3.098 -4.748 -12.177 642 HE22 GLN 78 2HE2 GLN 78 -3.671 -5.587 -13.574 643 H ILE 79 H ILE 79 -7.054 -2.058 -8.183 644 HA ILE 79 HA ILE 79 -8.586 -4.226 -6.931 645 HB ILE 79 HB ILE 79 -8.977 -1.238 -6.730 646 HG12 ILE 79 1HG1 ILE 79 -7.552 -3.258 -5.047 647 HG13 ILE 79 2HG1 ILE 79 -7.077 -1.615 -5.462 648 HG21 ILE 79 1HG2 ILE 79 -10.563 -1.791 -4.932 649 HG22 ILE 79 2HG2 ILE 79 -11.079 -2.419 -6.496 650 HG23 ILE 79 3HG2 ILE 79 -10.364 -3.503 -5.303 651 HD11 ILE 79 1HD1 ILE 79 -7.585 -1.533 -3.192 652 HD12 ILE 79 2HD1 ILE 79 -9.019 -0.876 -3.982 653 HD13 ILE 79 3HD1 ILE 79 -9.023 -2.535 -3.383 654 H ILE 80 H ILE 80 -10.062 -5.163 -8.170 655 HA ILE 80 HA ILE 80 -11.298 -3.631 -10.344 656 HB ILE 80 HB ILE 80 -11.606 -6.590 -9.906 657 HG12 ILE 80 1HG1 ILE 80 -9.730 -6.422 -11.865 658 HG13 ILE 80 2HG1 ILE 80 -9.249 -5.075 -10.840 659 HG21 ILE 80 1HG2 ILE 80 -12.900 -6.411 -11.699 660 HG22 ILE 80 2HG2 ILE 80 -12.530 -4.693 -11.837 661 HG23 ILE 80 3HG2 ILE 80 -11.495 -5.883 -12.625 662 HD11 ILE 80 1HD1 ILE 80 -8.019 -6.960 -10.132 663 HD12 ILE 80 2HD1 ILE 80 -9.263 -6.683 -8.912 664 HD13 ILE 80 3HD1 ILE 80 -9.461 -7.975 -10.096 665 H LYS 81 H LYS 81 -13.427 -3.175 -10.405 666 HA LYS 81 HA LYS 81 -15.559 -2.850 -9.680 667 HB2 LYS 81 1HB LYS 81 -15.219 -5.624 -8.524 668 HB3 LYS 81 2HB LYS 81 -16.750 -4.799 -8.787 669 HG2 LYS 81 1HG LYS 81 -15.866 -4.674 -11.266 670 HG3 LYS 81 2HG LYS 81 -14.911 -6.065 -10.746 671 HD2 LYS 81 1HD LYS 81 -17.099 -7.043 -9.887 672 HD3 LYS 81 2HD LYS 81 -17.904 -5.770 -10.807 673 HE2 LYS 81 1HE LYS 81 -16.656 -6.583 -12.829 674 HE3 LYS 81 2HE LYS 81 -16.118 -7.955 -11.862 675 HZ1 LYS 81 1HZ LYS 81 -18.555 -7.619 -13.220 676 HZ2 LYS 81 2HZ LYS 81 -18.879 -7.753 -11.566 677 HZ3 LYS 81 3HZ LYS 81 -18.007 -8.967 -12.357 678 H ALA 82 H ALA 82 -13.752 -1.596 -8.116 679 HA ALA 82 HA ALA 82 -13.643 -2.147 -5.414 680 HB1 ALA 82 1HB ALA 82 -12.966 0.061 -5.085 681 HB2 ALA 82 2HB ALA 82 -12.497 -0.283 -6.751 682 HB3 ALA 82 3HB ALA 82 -13.950 0.661 -6.421 683 H LYS 83 H LYS 83 -15.277 -2.597 -4.094 684 HA LYS 83 HA LYS 83 -17.903 -1.435 -4.527 685 HB2 LYS 83 1HB LYS 83 -17.128 -3.264 -2.264 686 HB3 LYS 83 2HB LYS 83 -18.717 -3.025 -2.979 687 HG2 LYS 83 1HG LYS 83 -18.161 -4.258 -4.897 688 HG3 LYS 83 2HG LYS 83 -16.435 -4.199 -4.532 689 HD2 LYS 83 1HD LYS 83 -17.030 -5.502 -2.408 690 HD3 LYS 83 2HD LYS 83 -18.586 -5.808 -3.185 691 HE2 LYS 83 1HE LYS 83 -15.896 -6.484 -4.373 692 HE3 LYS 83 2HE LYS 83 -16.941 -7.627 -3.530 693 HZ1 LYS 83 1HZ LYS 83 -18.025 -7.973 -5.412 694 HZ2 LYS 83 2HZ LYS 83 -17.015 -6.885 -6.222 695 HZ3 LYS 83 3HZ LYS 83 -18.447 -6.337 -5.508 696 H ASP 84 H ASP 84 -19.113 -0.493 -2.713 697 HA ASP 84 HA ASP 84 -17.841 1.715 -1.607 698 HB2 ASP 84 1HB ASP 84 -20.401 0.293 -0.916 699 HB3 ASP 84 2HB ASP 84 -19.869 1.704 -0.006 700 H ASN 85 H ASN 85 -17.861 -1.549 -0.553 701 HA ASN 85 HA ASN 85 -17.291 -1.049 2.205 702 HB2 ASN 85 1HB ASN 85 -17.170 -3.476 0.435 703 HB3 ASN 85 2HB ASN 85 -16.512 -3.523 2.068 704 HD21 ASN 85 1HD2 ASN 85 -18.380 -5.253 1.747 705 HD22 ASN 85 2HD2 ASN 85 -19.900 -4.752 2.400 706 H PHE 86 H PHE 86 -15.443 -1.119 -0.695 707 HA PHE 86 HA PHE 86 -12.910 -1.716 0.458 708 HB2 PHE 86 1HB PHE 86 -13.745 -0.447 -2.146 709 HB3 PHE 86 2HB PHE 86 -12.052 -0.655 -1.707 710 HD1 PHE 86 2HD PHE 86 -15.019 -2.875 -1.303 711 HD2 PHE 86 1HD PHE 86 -11.162 -2.321 -3.016 712 HE1 PHE 86 2HE PHE 86 -15.080 -5.174 -2.175 713 HE2 PHE 86 1HE PHE 86 -11.217 -4.619 -3.892 714 HZ PHE 86 HZ PHE 86 -13.177 -6.050 -3.471 715 H ALA 87 H ALA 87 -14.884 1.062 0.438 716 HA ALA 87 HA ALA 87 -12.816 3.026 0.663 717 HB1 ALA 87 1HB ALA 87 -15.251 3.932 1.842 718 HB2 ALA 87 2HB ALA 87 -14.518 4.403 0.309 719 HB3 ALA 87 3HB ALA 87 -15.623 3.031 0.372 720 H GLY 88 H GLY 88 -11.462 3.040 2.341 721 HA2 GLY 88 1HA GLY 88 -12.308 3.556 4.965 722 HA3 GLY 88 2HA GLY 88 -11.954 1.840 4.837 723 H ASN 89 H ASN 89 -10.287 2.241 6.424 724 HA ASN 89 HA ASN 89 -8.018 3.852 5.615 725 HB2 ASN 89 1HB ASN 89 -8.775 3.767 7.985 726 HB3 ASN 89 2HB ASN 89 -8.330 2.063 8.036 727 HD21 ASN 89 1HD2 ASN 89 -6.756 4.949 6.703 728 HD22 ASN 89 2HD2 ASN 89 -5.271 4.743 7.561 729 H TYR 90 H TYR 90 -6.163 3.128 4.750 730 HA TYR 90 HA TYR 90 -5.840 0.212 4.460 731 HB2 TYR 90 1HB TYR 90 -5.342 2.442 2.507 732 HB3 TYR 90 2HB TYR 90 -4.508 0.901 2.348 733 HD1 TYR 90 2HD TYR 90 -7.998 2.127 2.922 734 HD2 TYR 90 1HD TYR 90 -5.453 -0.623 0.906 735 HE1 TYR 90 2HE TYR 90 -9.945 1.203 1.737 736 HE2 TYR 90 1HE TYR 90 -7.392 -1.554 -0.285 737 HH TYR 90 HH TYR 90 -10.463 -0.036 -0.265 738 H ARG 91 H ARG 91 -4.073 -0.612 5.351 739 HA ARG 91 HA ARG 91 -1.834 1.204 5.959 740 HB2 ARG 91 1HB ARG 91 -2.981 0.347 7.962 741 HB3 ARG 91 2HB ARG 91 -2.676 -1.300 7.427 742 HG2 ARG 91 1HG ARG 91 -0.238 -0.821 7.552 743 HG3 ARG 91 2HG ARG 91 -0.635 0.747 8.257 744 HD2 ARG 91 1HD ARG 91 -1.705 -0.315 10.136 745 HD3 ARG 91 2HD ARG 91 -1.492 -1.905 9.404 746 HE ARG 91 HE ARG 91 1.038 -0.903 9.606 747 HH11 ARG 91 2HH1 ARG 91 -1.577 -1.452 11.838 748 HH12 ARG 91 1HH1 ARG 91 -0.535 -1.737 13.192 749 HH21 ARG 91 2HH2 ARG 91 2.421 -1.277 11.381 750 HH22 ARG 91 1HH2 ARG 91 1.739 -1.636 12.931 751 H CYS 92 H CYS 92 -0.036 0.839 4.854 752 HA CYS 92 HA CYS 92 0.356 -1.804 3.629 753 HB2 CYS 92 1HB CYS 92 1.828 -0.694 2.037 754 HB3 CYS 92 2HB CYS 92 0.267 0.118 2.080 755 HG CYS 92 HG CYS 92 1.094 2.346 3.395 756 H GLU 93 H GLU 93 1.981 -3.074 4.258 757 HA GLU 93 HA GLU 93 4.210 -1.888 5.760 758 HB2 GLU 93 1HB GLU 93 2.567 -4.288 6.566 759 HB3 GLU 93 2HB GLU 93 4.143 -3.924 7.256 760 HG2 GLU 93 1HG GLU 93 3.300 -1.798 8.089 761 HG3 GLU 93 2HG GLU 93 1.724 -2.137 7.378 762 H VAL 94 H VAL 94 6.036 -2.345 4.744 763 HA VAL 94 HA VAL 94 6.392 -5.022 3.590 764 HB VAL 94 HB VAL 94 5.883 -3.683 1.680 765 HG11 VAL 94 1HG1 VAL 94 6.158 -1.481 1.773 766 HG12 VAL 94 2HG1 VAL 94 7.227 -1.625 3.170 767 HG13 VAL 94 3HG1 VAL 94 7.887 -1.733 1.537 768 HG21 VAL 94 1HG2 VAL 94 8.153 -3.644 0.510 769 HG22 VAL 94 2HG2 VAL 94 8.815 -4.236 2.034 770 HG23 VAL 94 3HG2 VAL 94 7.610 -5.188 1.167 771 H THR 95 H THR 95 8.009 -5.902 4.693 772 HA THR 95 HA THR 95 10.144 -4.220 5.756 773 HB THR 95 HB THR 95 9.694 -7.181 6.175 774 HG1 THR 95 1HG THR 95 8.680 -4.895 7.459 775 HG21 THR 95 1HG2 THR 95 11.879 -6.874 6.817 776 HG22 THR 95 2HG2 THR 95 11.052 -6.462 8.320 777 HG23 THR 95 3HG2 THR 95 11.627 -5.183 7.250 778 H TYR 96 H TYR 96 12.380 -4.779 5.468 779 HA TYR 96 HA TYR 96 12.892 -6.168 2.920 780 HB2 TYR 96 1HB TYR 96 13.314 -3.745 2.793 781 HB3 TYR 96 2HB TYR 96 14.440 -3.872 4.140 782 HD1 TYR 96 2HD TYR 96 14.055 -6.127 1.202 783 HD2 TYR 96 1HD TYR 96 16.501 -3.283 3.212 784 HE1 TYR 96 2HE TYR 96 15.883 -6.591 -0.376 785 HE2 TYR 96 1HE TYR 96 18.335 -3.739 1.639 786 HH TYR 96 HH TYR 96 18.345 -4.706 -0.944 787 H LYS 97 H LYS 97 14.971 -5.043 5.576 788 HA LYS 97 HA LYS 97 15.977 -7.801 5.837 789 HB2 LYS 97 1HB LYS 97 17.494 -5.200 6.105 790 HB3 LYS 97 2HB LYS 97 18.155 -6.780 6.506 791 HG2 LYS 97 1HG LYS 97 18.226 -7.455 4.289 792 HG3 LYS 97 2HG LYS 97 17.049 -6.243 3.780 793 HD2 LYS 97 1HD LYS 97 18.941 -5.231 3.019 794 HD3 LYS 97 2HD LYS 97 18.948 -4.602 4.668 795 HE2 LYS 97 1HE LYS 97 20.430 -6.484 5.319 796 HE3 LYS 97 2HE LYS 97 20.492 -6.976 3.628 797 HZ1 LYS 97 1HZ LYS 97 21.788 -5.208 3.062 798 HZ2 LYS 97 2HZ LYS 97 22.316 -5.428 4.654 799 HZ3 LYS 97 3HZ LYS 97 21.196 -4.212 4.296 800 H ASP 98 H ASP 98 16.524 -4.857 7.743 801 HA ASP 98 HA ASP 98 15.375 -6.252 10.071 802 HB2 ASP 98 1HB ASP 98 17.931 -4.746 9.767 803 HB3 ASP 98 2HB ASP 98 17.077 -4.621 11.303 804 H LYS 99 H LYS 99 16.120 -3.072 8.678 805 HA LYS 99 HA LYS 99 13.935 -1.924 10.279 806 HB2 LYS 99 1HB LYS 99 16.072 -0.402 8.787 807 HB3 LYS 99 2HB LYS 99 14.971 0.216 10.012 808 HG2 LYS 99 1HG LYS 99 16.172 -0.667 11.740 809 HG3 LYS 99 2HG LYS 99 16.817 -1.988 10.762 810 HD2 LYS 99 1HD LYS 99 17.603 0.865 10.257 811 HD3 LYS 99 2HD LYS 99 18.424 -0.115 11.475 812 HE2 LYS 99 1HE LYS 99 18.100 -0.970 8.606 813 HE3 LYS 99 2HE LYS 99 19.497 -0.069 9.192 814 HZ1 LYS 99 1HZ LYS 99 19.271 -2.761 9.174 815 HZ2 LYS 99 2HZ LYS 99 18.873 -2.388 10.775 816 HZ3 LYS 99 3HZ LYS 99 20.355 -1.884 10.133 817 H PHE 100 H PHE 100 12.085 -1.532 9.277 818 HA PHE 100 HA PHE 100 12.137 -1.023 6.375 819 HB2 PHE 100 1HB PHE 100 10.154 -2.264 6.076 820 HB3 PHE 100 2HB PHE 100 11.137 -3.250 7.154 821 HD1 PHE 100 2HD PHE 100 10.689 -2.996 9.681 822 HD2 PHE 100 1HD PHE 100 7.980 -1.731 6.652 823 HE1 PHE 100 2HE PHE 100 8.846 -3.053 11.310 824 HE2 PHE 100 1HE PHE 100 6.133 -1.785 8.277 825 HZ PHE 100 HZ PHE 100 6.565 -2.448 10.609 826 H ASP 101 H ASP 101 10.040 0.086 5.646 827 HA ASP 101 HA ASP 101 9.118 2.027 7.646 828 HB2 ASP 101 1HB ASP 101 10.467 2.583 5.040 829 HB3 ASP 101 2HB ASP 101 9.187 3.671 5.570 830 H SER 102 H SER 102 6.993 1.813 7.791 831 HA SER 102 HA SER 102 5.475 1.023 5.402 832 HB2 SER 102 1HB SER 102 3.649 0.534 7.130 833 HB3 SER 102 2HB SER 102 5.063 -0.520 7.152 834 HG SER 102 HG SER 102 4.377 0.277 9.247 835 H CYS 103 H CYS 103 3.163 1.915 5.398 836 HA CYS 103 HA CYS 103 2.942 4.616 6.456 837 HB2 CYS 103 1HB CYS 103 4.046 4.508 4.058 838 HB3 CYS 103 2HB CYS 103 2.378 4.295 3.539 839 HG CYS 103 HG CYS 103 1.676 6.766 3.691 840 H SER 104 H SER 104 0.738 5.571 5.593 841 HA SER 104 HA SER 104 -1.291 3.473 5.388 842 HB2 SER 104 1HB SER 104 -2.638 4.493 7.182 843 HB3 SER 104 2HB SER 104 -1.081 3.929 7.791 844 HG SER 104 HG SER 104 -1.537 6.012 8.563 845 H PHE 105 H PHE 105 -3.026 4.027 4.173 846 HA PHE 105 HA PHE 105 -3.384 6.841 3.434 847 HB2 PHE 105 1HB PHE 105 -3.708 6.155 1.054 848 HB3 PHE 105 2HB PHE 105 -2.060 5.937 1.633 849 HD1 PHE 105 1HD PHE 105 -1.532 3.547 2.587 850 HD2 PHE 105 2HD PHE 105 -4.713 4.440 -0.096 851 HE1 PHE 105 1HE PHE 105 -1.596 1.190 1.883 852 HE2 PHE 105 2HE PHE 105 -4.782 2.085 -0.804 853 HZ PHE 105 HZ PHE 105 -3.223 0.456 0.186 854 H ASP 106 H ASP 106 -5.487 7.355 2.627 855 HA ASP 106 HA ASP 106 -7.531 5.444 3.533 856 HB2 ASP 106 1HB ASP 106 -8.943 7.263 4.027 857 HB3 ASP 106 2HB ASP 106 -7.349 7.788 4.563 858 H LEU 107 H LEU 107 -8.970 4.622 2.140 859 HA LEU 107 HA LEU 107 -8.897 5.611 -0.630 860 HB2 LEU 107 1HB LEU 107 -8.162 3.280 -0.261 861 HB3 LEU 107 2HB LEU 107 -9.758 2.907 0.388 862 HG LEU 107 HG LEU 107 -9.370 2.154 -1.964 863 HD11 LEU 107 1HD1 LEU 107 -11.621 2.695 -0.908 864 HD12 LEU 107 2HD1 LEU 107 -11.550 2.655 -2.670 865 HD13 LEU 107 3HD1 LEU 107 -11.561 4.202 -1.822 866 HD21 LEU 107 1HD2 LEU 107 -9.187 3.667 -3.736 867 HD22 LEU 107 2HD2 LEU 107 -8.066 4.285 -2.522 868 HD23 LEU 107 3HD2 LEU 107 -9.646 5.042 -2.731 869 H GLU 108 H GLU 108 -10.652 6.559 -1.428 870 HA GLU 108 HA GLU 108 -13.167 6.322 0.073 871 HB2 GLU 108 1HB GLU 108 -11.929 8.487 -1.559 872 HB3 GLU 108 2HB GLU 108 -13.684 8.386 -1.521 873 HG2 GLU 108 1HG GLU 108 -13.641 8.536 0.916 874 HG3 GLU 108 2HG GLU 108 -11.882 8.642 0.877 875 H VAL 109 H VAL 109 -15.153 6.085 -1.059 876 HA VAL 109 HA VAL 109 -14.929 5.127 -3.828 877 HB VAL 109 HB VAL 109 -16.554 3.724 -1.705 878 HG11 VAL 109 1HG1 VAL 109 -16.848 3.749 -4.458 879 HG12 VAL 109 2HG1 VAL 109 -15.953 2.263 -4.135 880 HG13 VAL 109 3HG1 VAL 109 -17.503 2.551 -3.344 881 HG21 VAL 109 1HG2 VAL 109 -13.912 3.599 -1.726 882 HG22 VAL 109 2HG2 VAL 109 -14.902 2.173 -1.416 883 HG23 VAL 109 3HG2 VAL 109 -14.218 2.440 -3.019 884 H HIS 110 H HIS 110 -16.275 6.214 -5.090 885 HA HIS 110 HA HIS 110 -18.632 7.487 -3.888 886 HB2 HIS 110 1HB HIS 110 -17.121 8.072 -6.438 887 HB3 HIS 110 2HB HIS 110 -18.635 8.860 -6.002 888 HD1 HIS 110 1HD HIS 110 -17.118 11.077 -6.109 889 HD2 HIS 110 2HD HIS 110 -16.318 8.451 -2.991 890 HE1 HIS 110 1HE HIS 110 -15.784 12.402 -4.439 891 HE2 HIS 110 2HE HIS 110 -15.239 10.769 -2.601 892 H GLU 111 H GLU 111 -20.677 7.272 -4.800 893 HA GLU 111 HA GLU 111 -21.250 4.752 -5.963 894 HB2 GLU 111 1HB GLU 111 -22.993 7.203 -5.658 895 HB3 GLU 111 2HB GLU 111 -23.573 5.611 -6.127 896 HG2 GLU 111 1HG GLU 111 -22.653 4.756 -3.948 897 HG3 GLU 111 2HG GLU 111 -22.393 6.439 -3.492 898 H SER 112 H SER 112 -21.248 4.143 -8.019 899 HA SER 112 HA SER 112 -20.532 5.954 -10.098 900 HB2 SER 112 1HB SER 112 -19.793 3.635 -10.178 901 HB3 SER 112 2HB SER 112 -21.465 3.076 -10.220 902 HG SER 112 HG SER 112 -19.887 3.950 -12.246 903 H THR 113 H THR 113 -21.745 6.889 -11.664 904 HA THR 113 HA THR 113 -24.340 7.627 -11.265 905 HB THR 113 HB THR 113 -24.484 8.016 -13.753 906 HG1 THR 113 1HG THR 113 -22.215 6.427 -13.624 907 HG21 THR 113 1HG2 THR 113 -21.869 9.020 -12.664 908 HG22 THR 113 2HG2 THR 113 -23.411 9.570 -12.009 909 HG23 THR 113 3HG2 THR 113 -23.024 9.850 -13.706 910 H GLY 114 H GLY 114 -26.368 6.914 -11.867 911 HA2 GLY 114 1HA GLY 114 -27.490 5.249 -13.462 912 HA3 GLY 114 2HA GLY 114 -26.495 4.068 -12.624 913 H THR 115 H THR 115 -28.664 6.755 -11.723 914 HA THR 115 HA THR 115 -30.164 4.889 -10.032 915 HB THR 115 HB THR 115 -28.564 5.983 -8.533 916 HG1 THR 115 1HG THR 115 -30.640 7.338 -7.560 917 HG21 THR 115 1HG2 THR 115 -29.045 8.507 -8.136 918 HG22 THR 115 2HG2 THR 115 -29.686 8.465 -9.779 919 HG23 THR 115 3HG2 THR 115 -28.004 8.030 -9.478 920 H THR 116 H THR 116 -32.325 5.420 -9.717 921 HA THR 116 HA THR 116 -33.453 7.155 -11.727 922 HB THR 116 HB THR 116 -35.634 6.368 -10.904 923 HG1 THR 116 1HG THR 116 -35.155 4.473 -9.263 924 HG21 THR 116 1HG2 THR 116 -33.840 4.944 -12.324 925 HG22 THR 116 2HG2 THR 116 -35.466 4.368 -11.958 926 HG23 THR 116 3HG2 THR 116 -34.101 3.844 -10.972 927 HA PRO 117 HA PRO 117 -34.017 10.756 -9.266 928 HB2 PRO 117 1HB PRO 117 -36.198 11.816 -10.486 929 HB3 PRO 117 2HB PRO 117 -34.589 11.827 -11.217 930 HG2 PRO 117 1HG PRO 117 -36.883 9.971 -11.718 931 HG3 PRO 117 2HG PRO 117 -35.782 10.729 -12.883 932 HD2 PRO 117 1HD PRO 117 -35.501 8.161 -12.071 933 HD3 PRO 117 2HD PRO 117 -34.116 9.183 -12.505 934 H ASN 118 H ASN 118 -34.791 10.839 -7.261 935 HA ASN 118 HA ASN 118 -37.333 9.528 -6.644 936 HB2 ASN 118 1HB ASN 118 -35.483 8.857 -5.241 937 HB3 ASN 118 2HB ASN 118 -35.107 10.535 -4.862 938 HD21 ASN 118 1HD2 ASN 118 -37.454 7.970 -4.433 939 HD22 ASN 118 2HD2 ASN 118 -38.165 8.605 -2.992 940 H ILE 119 H ILE 119 -38.680 10.637 -4.919 941 HA ILE 119 HA ILE 119 -39.165 13.373 -5.792 942 HB ILE 119 HB ILE 119 -40.791 11.634 -3.933 943 HG12 ILE 119 1HG1 ILE 119 -40.580 10.829 -6.316 944 HG13 ILE 119 2HG1 ILE 119 -42.224 11.178 -5.794 945 HG21 ILE 119 1HG2 ILE 119 -42.431 13.265 -3.920 946 HG22 ILE 119 2HG2 ILE 119 -40.951 14.220 -3.843 947 HG23 ILE 119 3HG2 ILE 119 -41.810 14.047 -5.373 948 HD11 ILE 119 1HD1 ILE 119 -42.482 12.794 -7.309 949 HD12 ILE 119 2HD1 ILE 119 -40.861 13.439 -7.045 950 HD13 ILE 119 3HD1 ILE 119 -41.095 12.048 -8.103 951 H ASP 120 H ASP 120 -38.864 15.151 -4.576 952 HA ASP 120 HA ASP 120 -38.006 14.772 -1.782 953 HB2 ASP 120 1HB ASP 120 -36.839 16.517 -3.935 954 HB3 ASP 120 2HB ASP 120 -36.623 16.916 -2.233 955 H SER 121 H SER 121 -38.421 16.566 -0.351 956 HA SER 121 HA SER 121 -40.654 18.264 -1.256 957 HB2 SER 121 1HB SER 121 -41.082 16.315 0.458 958 HB3 SER 121 2HB SER 121 -40.383 17.448 1.614 959 HG SER 121 HG SER 121 -42.369 18.162 1.677 960 H GLY 122 H GLY 122 -40.803 20.360 -0.352 961 HA2 GLY 122 1HA GLY 122 -38.661 21.310 1.360 962 HA3 GLY 122 2HA GLY 122 -38.631 21.935 -0.282 963 HA PRO 123 HA PRO 123 -41.834 24.082 2.624 964 HB2 PRO 123 1HB PRO 123 -40.297 25.935 3.880 965 HB3 PRO 123 2HB PRO 123 -40.627 24.339 4.563 966 HG2 PRO 123 1HG PRO 123 -38.209 25.304 3.086 967 HG3 PRO 123 2HG PRO 123 -38.302 24.299 4.544 968 HD2 PRO 123 1HD PRO 123 -37.855 23.259 2.084 969 HD3 PRO 123 2HD PRO 123 -38.743 22.380 3.345 970 H SER 124 H SER 124 -42.670 26.182 2.228 971 HA SER 124 HA SER 124 -41.261 27.715 0.146 972 HB2 SER 124 1HB SER 124 -44.162 26.886 0.224 973 HB3 SER 124 2HB SER 124 -43.590 28.218 -0.780 974 HG SER 124 HG SER 124 -41.959 26.417 -1.418 975 H SER 125 H SER 125 -41.505 29.944 0.198 976 HA SER 125 HA SER 125 -42.117 31.040 2.783 977 HB2 SER 125 1HB SER 125 -40.222 31.920 1.536 978 HB3 SER 125 2HB SER 125 -41.277 32.374 0.198 979 HG SER 125 HG SER 125 -42.255 33.461 2.408 980 H GLY 126 H GLY 126 -43.774 32.412 3.349 981 HA2 GLY 126 1HA GLY 126 -46.158 32.220 1.700 982 HA3 GLY 126 2HA GLY 126 -46.067 32.856 3.336 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 2.287 9.815 23.026 2 HA2 GLY 1 1HA GLY 1 0.636 11.600 22.514 3 HA3 GLY 1 2HA GLY 1 2.017 12.655 22.253 4 H SER 2 H SER 2 2.337 13.060 20.180 5 HA SER 2 HA SER 2 1.152 11.701 18.062 6 HB2 SER 2 1HB SER 2 2.120 14.019 17.984 7 HB3 SER 2 2HB SER 2 3.723 13.288 17.904 8 HG SER 2 HG SER 2 1.679 13.329 15.993 9 H SER 3 H SER 3 1.532 9.781 17.198 10 HA SER 3 HA SER 3 4.207 8.591 17.539 11 HB2 SER 3 1HB SER 3 3.095 6.387 17.458 12 HB3 SER 3 2HB SER 3 2.490 7.372 18.790 13 HG SER 3 HG SER 3 1.237 7.022 16.266 14 H GLY 4 H GLY 4 4.839 7.039 15.828 15 HA2 GLY 4 1HA GLY 4 3.775 6.541 13.416 16 HA3 GLY 4 2HA GLY 4 4.295 8.209 13.228 17 H SER 5 H SER 5 5.525 6.952 11.476 18 HA SER 5 HA SER 5 8.128 6.139 12.593 19 HB2 SER 5 1HB SER 5 6.852 5.071 10.063 20 HB3 SER 5 2HB SER 5 8.396 4.568 10.750 21 HG SER 5 HG SER 5 5.975 3.632 11.296 22 H SER 6 H SER 6 9.944 6.409 11.013 23 HA SER 6 HA SER 6 9.986 9.088 10.071 24 HB2 SER 6 1HB SER 6 11.936 6.799 9.772 25 HB3 SER 6 2HB SER 6 12.252 8.420 9.153 26 HG SER 6 HG SER 6 11.941 9.171 11.332 27 H GLY 7 H GLY 7 10.353 6.003 8.307 28 HA2 GLY 7 1HA GLY 7 9.538 5.402 6.226 29 HA3 GLY 7 2HA GLY 7 8.688 6.938 6.156 30 H ILE 8 H ILE 8 11.764 5.335 5.598 31 HA ILE 8 HA ILE 8 12.471 7.518 3.751 32 HB ILE 8 HB ILE 8 14.391 5.972 5.496 33 HG12 ILE 8 1HG1 ILE 8 13.835 8.936 5.542 34 HG13 ILE 8 2HG1 ILE 8 12.958 7.802 6.563 35 HG21 ILE 8 1HG2 ILE 8 16.083 7.535 4.569 36 HG22 ILE 8 2HG2 ILE 8 15.407 6.433 3.371 37 HG23 ILE 8 3HG2 ILE 8 14.868 8.111 3.428 38 HD11 ILE 8 1HD1 ILE 8 15.335 7.054 7.301 39 HD12 ILE 8 2HD1 ILE 8 15.814 8.633 6.676 40 HD13 ILE 8 3HD1 ILE 8 14.619 8.521 7.968 41 H LEU 9 H LEU 9 13.227 4.140 4.603 42 HA LEU 9 HA LEU 9 14.442 3.350 2.260 43 HB2 LEU 9 1HB LEU 9 12.887 1.977 4.371 44 HB3 LEU 9 2HB LEU 9 13.141 1.095 2.867 45 HG LEU 9 HG LEU 9 15.509 2.306 4.200 46 HD11 LEU 9 1HD1 LEU 9 15.567 0.945 5.978 47 HD12 LEU 9 2HD1 LEU 9 14.871 -0.411 5.091 48 HD13 LEU 9 3HD1 LEU 9 13.821 0.843 5.750 49 HD21 LEU 9 1HD2 LEU 9 16.662 0.852 2.927 50 HD22 LEU 9 2HD2 LEU 9 15.179 0.811 1.973 51 HD23 LEU 9 3HD2 LEU 9 15.496 -0.449 3.167 52 H PHE 10 H PHE 10 11.012 3.685 2.960 53 HA PHE 10 HA PHE 10 10.103 2.469 0.551 54 HB2 PHE 10 1HB PHE 10 8.874 3.116 2.851 55 HB3 PHE 10 2HB PHE 10 8.405 4.508 1.881 56 HD1 PHE 10 2HD PHE 10 8.577 0.792 1.596 57 HD2 PHE 10 1HD PHE 10 6.450 4.367 0.694 58 HE1 PHE 10 2HE PHE 10 6.784 -0.540 0.563 59 HE2 PHE 10 1HE PHE 10 4.653 3.041 -0.339 60 HZ PHE 10 HZ PHE 10 4.819 0.585 -0.407 61 H ILE 11 H ILE 11 11.296 3.442 -1.118 62 HA ILE 11 HA ILE 11 11.791 6.037 -1.687 63 HB ILE 11 HB ILE 11 10.844 3.946 -3.648 64 HG12 ILE 11 1HG1 ILE 11 12.919 3.479 -2.280 65 HG13 ILE 11 2HG1 ILE 11 13.155 3.479 -4.024 66 HG21 ILE 11 1HG2 ILE 11 10.574 6.145 -4.619 67 HG22 ILE 11 2HG2 ILE 11 12.216 6.583 -4.151 68 HG23 ILE 11 3HG2 ILE 11 11.949 5.330 -5.362 69 HD11 ILE 11 1HD1 ILE 11 13.706 5.903 -2.351 70 HD12 ILE 11 2HD1 ILE 11 14.908 4.638 -2.604 71 HD13 ILE 11 3HD1 ILE 11 14.269 5.534 -3.981 72 H GLU 12 H GLU 12 8.967 4.480 -3.200 73 HA GLU 12 HA GLU 12 7.604 7.078 -3.143 74 HB2 GLU 12 1HB GLU 12 7.971 5.523 -5.264 75 HB3 GLU 12 2HB GLU 12 6.514 4.751 -4.654 76 HG2 GLU 12 1HG GLU 12 5.662 6.298 -6.121 77 HG3 GLU 12 2HG GLU 12 5.563 7.157 -4.586 78 H LYS 13 H LYS 13 5.482 7.283 -2.395 79 HA LYS 13 HA LYS 13 4.484 5.026 -0.785 80 HB2 LYS 13 1HB LYS 13 4.394 7.960 -0.055 81 HB3 LYS 13 2HB LYS 13 3.682 6.652 0.881 82 HG2 LYS 13 1HG LYS 13 5.696 5.926 1.666 83 HG3 LYS 13 2HG LYS 13 6.581 6.504 0.252 84 HD2 LYS 13 1HD LYS 13 5.853 8.860 1.165 85 HD3 LYS 13 2HD LYS 13 5.709 7.985 2.691 86 HE2 LYS 13 1HE LYS 13 7.996 7.356 2.643 87 HE3 LYS 13 2HE LYS 13 8.177 7.885 0.971 88 HZ1 LYS 13 1HZ LYS 13 7.271 10.013 2.615 89 HZ2 LYS 13 2HZ LYS 13 8.654 9.927 1.646 90 HZ3 LYS 13 3HZ LYS 13 8.700 9.356 3.238 91 HA PRO 14 HA PRO 14 0.855 5.592 -3.270 92 HB2 PRO 14 1HB PRO 14 -0.733 3.858 -1.913 93 HB3 PRO 14 2HB PRO 14 0.534 3.330 -3.027 94 HG2 PRO 14 1HG PRO 14 0.593 3.511 -0.039 95 HG3 PRO 14 2HG PRO 14 1.206 2.224 -1.095 96 HD2 PRO 14 1HD PRO 14 2.820 4.101 0.003 97 HD3 PRO 14 2HD PRO 14 3.141 3.376 -1.586 98 H GLN 15 H GLN 15 -0.005 7.586 -2.954 99 HA GLN 15 HA GLN 15 -1.083 8.365 -0.386 100 HB2 GLN 15 1HB GLN 15 -0.968 9.769 -3.057 101 HB3 GLN 15 2HB GLN 15 -1.685 10.478 -1.616 102 HG2 GLN 15 1HG GLN 15 1.187 9.793 -2.128 103 HG3 GLN 15 2HG GLN 15 0.479 11.360 -1.741 104 HE21 GLN 15 1HE2 GLN 15 2.553 9.454 -0.499 105 HE22 GLN 15 2HE2 GLN 15 2.122 9.441 1.174 106 H GLY 16 H GLY 16 -2.366 6.106 -1.482 107 HA2 GLY 16 1HA GLY 16 -4.424 5.317 -2.216 108 HA3 GLY 16 2HA GLY 16 -4.980 6.439 -0.983 109 H GLY 17 H GLY 17 -6.913 6.721 -2.222 110 HA2 GLY 17 1HA GLY 17 -6.984 9.031 -3.763 111 HA3 GLY 17 2HA GLY 17 -6.888 7.686 -4.891 112 H THR 18 H THR 18 -8.943 8.089 -5.728 113 HA THR 18 HA THR 18 -11.116 7.096 -4.041 114 HB THR 18 HB THR 18 -11.460 9.583 -5.719 115 HG1 THR 18 1HG THR 18 -11.625 10.548 -3.513 116 HG21 THR 18 1HG2 THR 18 -13.584 8.754 -5.498 117 HG22 THR 18 2HG2 THR 18 -13.472 9.670 -3.995 118 HG23 THR 18 3HG2 THR 18 -13.220 7.924 -3.985 119 H VAL 19 H VAL 19 -11.901 5.400 -5.094 120 HA VAL 19 HA VAL 19 -12.056 5.513 -8.035 121 HB VAL 19 HB VAL 19 -10.565 3.743 -7.186 122 HG11 VAL 19 1HG1 VAL 19 -12.893 2.229 -6.117 123 HG12 VAL 19 2HG1 VAL 19 -11.182 2.116 -5.699 124 HG13 VAL 19 3HG1 VAL 19 -12.151 3.464 -5.101 125 HG21 VAL 19 1HG2 VAL 19 -11.190 2.810 -9.109 126 HG22 VAL 19 2HG2 VAL 19 -12.342 1.849 -8.180 127 HG23 VAL 19 3HG2 VAL 19 -12.852 3.368 -8.916 128 H LYS 20 H LYS 20 -13.950 4.992 -9.056 129 HA LYS 20 HA LYS 20 -16.357 5.287 -7.544 130 HB2 LYS 20 1HB LYS 20 -15.868 6.035 -9.971 131 HB3 LYS 20 2HB LYS 20 -16.243 4.373 -10.407 132 HG2 LYS 20 1HG LYS 20 -18.202 5.711 -10.706 133 HG3 LYS 20 2HG LYS 20 -18.457 4.640 -9.326 134 HD2 LYS 20 1HD LYS 20 -19.257 6.927 -8.892 135 HD3 LYS 20 2HD LYS 20 -17.960 6.454 -7.792 136 HE2 LYS 20 1HE LYS 20 -16.470 7.923 -8.700 137 HE3 LYS 20 2HE LYS 20 -17.199 7.840 -10.303 138 HZ1 LYS 20 1HZ LYS 20 -19.159 9.023 -9.043 139 HZ2 LYS 20 2HZ LYS 20 -17.861 9.905 -9.672 140 HZ3 LYS 20 3HZ LYS 20 -17.908 9.530 -8.023 141 H VAL 21 H VAL 21 -18.102 3.787 -7.414 142 HA VAL 21 HA VAL 21 -17.348 1.191 -6.655 143 HB VAL 21 HB VAL 21 -20.059 2.345 -7.302 144 HG11 VAL 21 1HG1 VAL 21 -20.890 0.285 -7.335 145 HG12 VAL 21 2HG1 VAL 21 -19.302 -0.406 -6.997 146 HG13 VAL 21 3HG1 VAL 21 -20.354 0.083 -5.668 147 HG21 VAL 21 1HG2 VAL 21 -19.067 1.524 -4.602 148 HG22 VAL 21 2HG2 VAL 21 -18.617 3.089 -5.279 149 HG23 VAL 21 3HG2 VAL 21 -20.317 2.693 -5.024 150 H GLY 22 H GLY 22 -16.729 -0.430 -7.917 151 HA2 GLY 22 1HA GLY 22 -17.217 -2.097 -9.543 152 HA3 GLY 22 2HA GLY 22 -18.209 -0.928 -10.402 153 H GLU 23 H GLU 23 -15.622 0.832 -9.675 154 HA GLU 23 HA GLU 23 -14.469 0.471 -12.308 155 HB2 GLU 23 1HB GLU 23 -14.327 2.540 -10.177 156 HB3 GLU 23 2HB GLU 23 -12.958 2.415 -11.272 157 HG2 GLU 23 1HG GLU 23 -14.554 2.634 -13.174 158 HG3 GLU 23 2HG GLU 23 -15.826 2.954 -11.997 159 H ASP 24 H ASP 24 -11.892 1.001 -12.163 160 HA ASP 24 HA ASP 24 -10.745 -0.988 -10.317 161 HB2 ASP 24 1HB ASP 24 -9.409 -1.926 -12.007 162 HB3 ASP 24 2HB ASP 24 -10.982 -1.719 -12.773 163 H ILE 25 H ILE 25 -9.085 -0.284 -9.140 164 HA ILE 25 HA ILE 25 -7.639 2.115 -10.051 165 HB ILE 25 HB ILE 25 -9.125 2.796 -8.265 166 HG12 ILE 25 1HG1 ILE 25 -6.401 2.554 -7.003 167 HG13 ILE 25 2HG1 ILE 25 -6.674 3.581 -8.406 168 HG21 ILE 25 1HG2 ILE 25 -9.116 1.809 -6.082 169 HG22 ILE 25 2HG2 ILE 25 -9.372 0.529 -7.267 170 HG23 ILE 25 3HG2 ILE 25 -7.788 0.735 -6.521 171 HD11 ILE 25 1HD1 ILE 25 -7.175 5.180 -6.954 172 HD12 ILE 25 2HD1 ILE 25 -8.685 4.312 -6.673 173 HD13 ILE 25 3HD1 ILE 25 -7.300 4.036 -5.617 174 H THR 26 H THR 26 -5.470 2.340 -9.202 175 HA THR 26 HA THR 26 -4.275 -0.133 -8.172 176 HB THR 26 HB THR 26 -2.903 1.398 -10.367 177 HG1 THR 26 1HG THR 26 -4.181 -0.983 -11.022 178 HG21 THR 26 1HG2 THR 26 -2.657 -1.411 -9.288 179 HG22 THR 26 2HG2 THR 26 -1.500 -0.095 -9.091 180 HG23 THR 26 3HG2 THR 26 -1.777 -0.796 -10.685 181 H PHE 27 H PHE 27 -2.620 0.160 -6.756 182 HA PHE 27 HA PHE 27 -1.899 2.949 -6.150 183 HB2 PHE 27 1HB PHE 27 -1.784 0.555 -4.304 184 HB3 PHE 27 2HB PHE 27 -1.482 2.233 -3.865 185 HD1 PHE 27 2HD PHE 27 -3.323 3.830 -3.715 186 HD2 PHE 27 1HD PHE 27 -4.009 -0.282 -4.576 187 HE1 PHE 27 2HE PHE 27 -5.706 4.118 -3.175 188 HE2 PHE 27 1HE PHE 27 -6.393 0.000 -4.038 189 HZ PHE 27 HZ PHE 27 -7.244 2.202 -3.335 190 H ILE 28 H ILE 28 0.219 3.542 -5.973 191 HA ILE 28 HA ILE 28 2.180 1.570 -6.912 192 HB ILE 28 HB ILE 28 2.296 4.586 -6.867 193 HG12 ILE 28 1HG1 ILE 28 0.839 3.555 -8.601 194 HG13 ILE 28 2HG1 ILE 28 2.213 4.418 -9.283 195 HG21 ILE 28 1HG2 ILE 28 4.389 2.548 -7.219 196 HG22 ILE 28 2HG2 ILE 28 4.376 3.841 -8.416 197 HG23 ILE 28 3HG2 ILE 28 4.514 4.229 -6.702 198 HD11 ILE 28 1HD1 ILE 28 1.964 2.405 -10.499 199 HD12 ILE 28 2HD1 ILE 28 3.380 2.209 -9.465 200 HD13 ILE 28 3HD1 ILE 28 1.851 1.449 -9.021 201 H ALA 29 H ALA 29 4.045 1.130 -5.801 202 HA ALA 29 HA ALA 29 4.771 2.602 -3.431 203 HB1 ALA 29 1HB ALA 29 3.050 0.348 -3.183 204 HB2 ALA 29 2HB ALA 29 4.620 -0.060 -2.489 205 HB3 ALA 29 3HB ALA 29 3.742 1.357 -1.913 206 H LYS 30 H LYS 30 6.888 2.794 -3.717 207 HA LYS 30 HA LYS 30 8.394 0.469 -4.720 208 HB2 LYS 30 1HB LYS 30 8.627 3.389 -5.192 209 HB3 LYS 30 2HB LYS 30 10.133 2.489 -5.071 210 HG2 LYS 30 1HG LYS 30 9.770 1.345 -7.005 211 HG3 LYS 30 2HG LYS 30 8.013 1.408 -6.843 212 HD2 LYS 30 1HD LYS 30 9.448 3.974 -7.254 213 HD3 LYS 30 2HD LYS 30 9.334 2.874 -8.630 214 HE2 LYS 30 1HE LYS 30 6.868 3.409 -7.059 215 HE3 LYS 30 2HE LYS 30 7.467 4.687 -8.116 216 HZ1 LYS 30 1HZ LYS 30 6.944 3.531 -9.958 217 HZ2 LYS 30 2HZ LYS 30 5.842 2.758 -8.935 218 HZ3 LYS 30 3HZ LYS 30 7.329 2.029 -9.281 219 H VAL 31 H VAL 31 10.459 0.028 -3.798 220 HA VAL 31 HA VAL 31 11.011 1.305 -1.215 221 HB VAL 31 HB VAL 31 10.945 -1.687 -1.626 222 HG11 VAL 31 1HG1 VAL 31 12.307 -0.044 0.280 223 HG12 VAL 31 2HG1 VAL 31 11.074 -1.003 1.100 224 HG13 VAL 31 3HG1 VAL 31 12.307 -1.800 0.123 225 HG21 VAL 31 1HG2 VAL 31 9.246 -0.717 0.470 226 HG22 VAL 31 2HG2 VAL 31 8.846 0.089 -1.046 227 HG23 VAL 31 3HG2 VAL 31 8.827 -1.672 -0.952 228 H LYS 32 H LYS 32 13.133 1.590 -0.776 229 HA LYS 32 HA LYS 32 15.021 1.131 -2.886 230 HB2 LYS 32 1HB LYS 32 14.941 3.132 -1.291 231 HB3 LYS 32 2HB LYS 32 15.677 2.070 -0.099 232 HG2 LYS 32 1HG LYS 32 17.477 3.209 -1.022 233 HG3 LYS 32 2HG LYS 32 17.487 1.657 -1.862 234 HD2 LYS 32 1HD LYS 32 15.925 3.022 -3.540 235 HD3 LYS 32 2HD LYS 32 16.852 4.370 -2.877 236 HE2 LYS 32 1HE LYS 32 18.331 1.943 -3.747 237 HE3 LYS 32 2HE LYS 32 17.676 3.005 -4.993 238 HZ1 LYS 32 1HZ LYS 32 18.884 4.846 -4.031 239 HZ2 LYS 32 2HZ LYS 32 19.954 3.588 -4.393 240 HZ3 LYS 32 3HZ LYS 32 19.479 3.859 -2.792 241 H ALA 33 H ALA 33 16.137 -0.669 -3.193 242 HA ALA 33 HA ALA 33 16.684 -2.401 -0.870 243 HB1 ALA 33 1HB ALA 33 15.839 -3.037 -3.651 244 HB2 ALA 33 2HB ALA 33 16.895 -4.172 -2.809 245 HB3 ALA 33 3HB ALA 33 15.327 -3.751 -2.121 246 H GLU 34 H GLU 34 18.721 -3.306 -0.657 247 HA GLU 34 HA GLU 34 20.802 -2.052 -2.310 248 HB2 GLU 34 1HB GLU 34 21.005 -3.282 0.444 249 HB3 GLU 34 2HB GLU 34 22.330 -2.537 -0.438 250 HG2 GLU 34 1HG GLU 34 21.383 -0.392 -0.259 251 HG3 GLU 34 2HG GLU 34 19.826 -1.038 0.254 252 H ASP 35 H ASP 35 19.728 -5.129 -0.963 253 HA ASP 35 HA ASP 35 21.756 -6.538 -2.543 254 HB2 ASP 35 1HB ASP 35 21.151 -6.969 0.001 255 HB3 ASP 35 2HB ASP 35 19.887 -7.971 -0.707 256 H LEU 36 H LEU 36 21.173 -8.284 -3.916 257 HA LEU 36 HA LEU 36 18.428 -8.069 -4.958 258 HB2 LEU 36 1HB LEU 36 20.626 -9.273 -6.559 259 HB3 LEU 36 2HB LEU 36 19.199 -8.387 -7.093 260 HG LEU 36 HG LEU 36 21.710 -7.210 -5.904 261 HD11 LEU 36 1HD1 LEU 36 21.939 -7.970 -8.220 262 HD12 LEU 36 2HD1 LEU 36 21.996 -6.211 -8.102 263 HD13 LEU 36 3HD1 LEU 36 20.531 -7.009 -8.672 264 HD21 LEU 36 1HD2 LEU 36 20.612 -5.322 -5.499 265 HD22 LEU 36 2HD2 LEU 36 19.109 -6.202 -5.779 266 HD23 LEU 36 3HD2 LEU 36 19.884 -5.333 -7.105 267 H LEU 37 H LEU 37 20.139 -9.954 -2.992 268 HA LEU 37 HA LEU 37 19.399 -12.534 -4.108 269 HB2 LEU 37 1HB LEU 37 20.630 -11.960 -1.422 270 HB3 LEU 37 2HB LEU 37 20.596 -13.499 -2.280 271 HG LEU 37 HG LEU 37 22.070 -11.093 -3.325 272 HD11 LEU 37 1HD1 LEU 37 23.341 -13.352 -1.814 273 HD12 LEU 37 2HD1 LEU 37 22.816 -11.872 -1.013 274 HD13 LEU 37 3HD1 LEU 37 24.040 -11.802 -2.281 275 HD21 LEU 37 1HD2 LEU 37 21.421 -13.072 -4.805 276 HD22 LEU 37 2HD2 LEU 37 22.590 -14.000 -3.866 277 HD23 LEU 37 3HD2 LEU 37 23.118 -12.591 -4.788 278 H ARG 38 H ARG 38 18.297 -10.265 -1.718 279 HA ARG 38 HA ARG 38 16.300 -12.189 -0.751 280 HB2 ARG 38 1HB ARG 38 16.906 -9.467 0.400 281 HB3 ARG 38 2HB ARG 38 15.999 -10.773 1.151 282 HG2 ARG 38 1HG ARG 38 18.034 -10.884 2.229 283 HG3 ARG 38 2HG ARG 38 18.210 -12.099 0.960 284 HD2 ARG 38 1HD ARG 38 19.543 -10.666 -0.360 285 HD3 ARG 38 2HD ARG 38 19.117 -9.255 0.607 286 HE ARG 38 HE ARG 38 20.834 -9.780 2.006 287 HH11 ARG 38 2HH1 ARG 38 19.911 -12.652 0.269 288 HH12 ARG 38 1HH1 ARG 38 21.188 -13.619 0.930 289 HH21 ARG 38 2HH2 ARG 38 22.519 -11.043 2.883 290 HH22 ARG 38 1HH2 ARG 38 22.670 -12.703 2.417 291 H LYS 39 H LYS 39 14.187 -10.896 -0.056 292 HA LYS 39 HA LYS 39 13.409 -8.933 -2.057 293 HB2 LYS 39 1HB LYS 39 12.984 -11.402 -2.840 294 HB3 LYS 39 2HB LYS 39 11.620 -11.313 -1.734 295 HG2 LYS 39 1HG LYS 39 11.003 -9.161 -2.997 296 HG3 LYS 39 2HG LYS 39 12.120 -9.744 -4.233 297 HD2 LYS 39 1HD LYS 39 9.875 -11.429 -3.148 298 HD3 LYS 39 2HD LYS 39 9.674 -10.355 -4.535 299 HE2 LYS 39 1HE LYS 39 11.088 -11.606 -5.870 300 HE3 LYS 39 2HE LYS 39 11.921 -12.325 -4.493 301 HZ1 LYS 39 1HZ LYS 39 10.448 -13.982 -4.376 302 HZ2 LYS 39 2HZ LYS 39 10.018 -13.547 -5.953 303 HZ3 LYS 39 3HZ LYS 39 9.116 -12.972 -4.642 304 HA PRO 40 HA PRO 40 11.416 -7.512 1.664 305 HB2 PRO 40 1HB PRO 40 10.365 -5.259 0.574 306 HB3 PRO 40 2HB PRO 40 12.069 -5.404 1.022 307 HG2 PRO 40 1HG PRO 40 10.788 -5.685 -1.669 308 HG3 PRO 40 2HG PRO 40 12.287 -4.848 -1.225 309 HD2 PRO 40 1HD PRO 40 12.271 -7.316 -2.340 310 HD3 PRO 40 2HD PRO 40 13.511 -6.801 -1.178 311 H THR 41 H THR 41 9.592 -8.412 2.365 312 HA THR 41 HA THR 41 7.432 -9.058 0.572 313 HB THR 41 HB THR 41 7.506 -9.330 3.582 314 HG1 THR 41 1HG THR 41 9.173 -10.562 2.739 315 HG21 THR 41 1HG2 THR 41 5.551 -10.457 3.457 316 HG22 THR 41 2HG2 THR 41 5.959 -11.198 1.909 317 HG23 THR 41 3HG2 THR 41 5.348 -9.545 1.962 318 H ILE 42 H ILE 42 5.460 -8.103 0.411 319 HA ILE 42 HA ILE 42 4.944 -5.760 2.118 320 HB ILE 42 HB ILE 42 5.669 -4.964 -0.069 321 HG12 ILE 42 1HG1 ILE 42 2.676 -4.628 0.179 322 HG13 ILE 42 2HG1 ILE 42 3.836 -3.804 1.214 323 HG21 ILE 42 1HG2 ILE 42 3.298 -6.071 -1.453 324 HG22 ILE 42 2HG2 ILE 42 4.911 -5.719 -2.070 325 HG23 ILE 42 3HG2 ILE 42 4.629 -7.179 -1.123 326 HD11 ILE 42 1HD1 ILE 42 4.650 -3.325 -1.428 327 HD12 ILE 42 2HD1 ILE 42 2.903 -3.085 -1.382 328 HD13 ILE 42 3HD1 ILE 42 3.947 -2.185 -0.281 329 H LYS 43 H LYS 43 3.072 -5.872 3.155 330 HA LYS 43 HA LYS 43 0.929 -7.544 2.014 331 HB2 LYS 43 1HB LYS 43 2.089 -8.429 4.108 332 HB3 LYS 43 2HB LYS 43 1.353 -7.080 4.963 333 HG2 LYS 43 1HG LYS 43 -0.215 -8.665 5.367 334 HG3 LYS 43 2HG LYS 43 -0.841 -8.043 3.838 335 HD2 LYS 43 1HD LYS 43 -0.875 -10.382 3.605 336 HD3 LYS 43 2HD LYS 43 0.556 -9.855 2.716 337 HE2 LYS 43 1HE LYS 43 1.712 -10.258 5.061 338 HE3 LYS 43 2HE LYS 43 0.344 -11.349 5.280 339 HZ1 LYS 43 1HZ LYS 43 2.444 -12.317 4.282 340 HZ2 LYS 43 2HZ LYS 43 2.060 -11.462 2.874 341 HZ3 LYS 43 3HZ LYS 43 0.999 -12.640 3.463 342 H TRP 44 H TRP 44 -0.928 -6.535 1.623 343 HA TRP 44 HA TRP 44 -1.260 -3.796 2.579 344 HB2 TRP 44 1HB TRP 44 -2.930 -5.323 0.571 345 HB3 TRP 44 2HB TRP 44 -2.987 -3.591 0.887 346 HD1 TRP 44 HD TRP 44 -0.485 -6.221 -0.475 347 HE1 TRP 44 1HE TRP 44 1.026 -5.055 -2.203 348 HE3 TRP 44 3HE TRP 44 -2.238 -1.442 0.006 349 HZ2 TRP 44 2HZ TRP 44 1.422 -2.454 -3.226 350 HZ3 TRP 44 3HZ TRP 44 -1.238 0.326 -1.383 351 HH2 TRP 44 HH TRP 44 0.554 -0.172 -2.965 352 H PHE 45 H PHE 45 -2.686 -3.219 4.095 353 HA PHE 45 HA PHE 45 -4.728 -5.182 4.903 354 HB2 PHE 45 1HB PHE 45 -2.856 -3.558 6.603 355 HB3 PHE 45 2HB PHE 45 -4.400 -4.109 7.244 356 HD1 PHE 45 1HD PHE 45 -4.864 -6.539 7.415 357 HD2 PHE 45 2HD PHE 45 -1.027 -5.033 6.354 358 HE1 PHE 45 1HE PHE 45 -3.862 -8.719 7.959 359 HE2 PHE 45 2HE PHE 45 -0.019 -7.211 6.895 360 HZ PHE 45 HZ PHE 45 -1.437 -9.058 7.697 361 H LYS 46 H LYS 46 -6.721 -4.376 5.558 362 HA LYS 46 HA LYS 46 -7.151 -1.503 5.062 363 HB2 LYS 46 1HB LYS 46 -8.100 -2.772 3.231 364 HB3 LYS 46 2HB LYS 46 -8.948 -3.828 4.353 365 HG2 LYS 46 1HG LYS 46 -10.494 -2.255 3.403 366 HG3 LYS 46 2HG LYS 46 -10.279 -1.901 5.119 367 HD2 LYS 46 1HD LYS 46 -8.607 -0.159 4.466 368 HD3 LYS 46 2HD LYS 46 -9.053 -0.442 2.781 369 HE2 LYS 46 1HE LYS 46 -10.227 1.490 3.749 370 HE3 LYS 46 2HE LYS 46 -11.337 0.217 3.244 371 HZ1 LYS 46 1HZ LYS 46 -12.115 0.062 5.297 372 HZ2 LYS 46 2HZ LYS 46 -11.183 1.406 5.730 373 HZ3 LYS 46 3HZ LYS 46 -10.566 -0.155 5.943 374 H GLY 47 H GLY 47 -8.700 -0.444 6.343 375 HA2 GLY 47 1HA GLY 47 -9.784 0.026 8.311 376 HA3 GLY 47 2HA GLY 47 -10.381 -1.625 8.227 377 H LYS 48 H LYS 48 -10.114 -2.495 10.175 378 HA LYS 48 HA LYS 48 -7.607 -1.984 11.619 379 HB2 LYS 48 1HB LYS 48 -9.975 -1.579 12.630 380 HB3 LYS 48 2HB LYS 48 -10.003 -3.326 12.828 381 HG2 LYS 48 1HG LYS 48 -7.808 -1.582 13.912 382 HG3 LYS 48 2HG LYS 48 -9.253 -2.013 14.829 383 HD2 LYS 48 1HD LYS 48 -8.703 -4.383 14.586 384 HD3 LYS 48 2HD LYS 48 -7.267 -3.959 13.652 385 HE2 LYS 48 1HE LYS 48 -7.708 -2.908 16.429 386 HE3 LYS 48 2HE LYS 48 -6.976 -4.487 16.147 387 HZ1 LYS 48 1HZ LYS 48 -5.101 -3.567 15.273 388 HZ2 LYS 48 2HZ LYS 48 -5.520 -2.339 16.358 389 HZ3 LYS 48 3HZ LYS 48 -5.885 -2.176 14.715 390 H TRP 49 H TRP 49 -9.896 -4.656 11.027 391 HA TRP 49 HA TRP 49 -7.674 -6.544 11.372 392 HB2 TRP 49 1HB TRP 49 -10.613 -7.216 11.218 393 HB3 TRP 49 2HB TRP 49 -9.303 -8.236 11.805 394 HD1 TRP 49 HD TRP 49 -11.140 -4.975 12.808 395 HE1 TRP 49 1HE TRP 49 -11.087 -4.792 15.375 396 HE3 TRP 49 3HE TRP 49 -8.255 -9.064 13.854 397 HZ2 TRP 49 2HZ TRP 49 -9.969 -6.195 17.555 398 HZ3 TRP 49 3HZ TRP 49 -7.740 -9.574 16.205 399 HH2 TRP 49 HH TRP 49 -8.580 -8.168 18.016 400 H MET 50 H MET 50 -10.166 -5.513 9.119 401 HA MET 50 HA MET 50 -10.176 -7.414 7.194 402 HB2 MET 50 1HB MET 50 -11.169 -4.951 7.291 403 HB3 MET 50 2HB MET 50 -9.797 -4.614 6.244 404 HG2 MET 50 1HG MET 50 -11.883 -6.716 5.713 405 HG3 MET 50 2HG MET 50 -11.883 -5.095 5.020 406 HE1 MET 50 1HE MET 50 -10.362 -5.763 1.788 407 HE2 MET 50 2HE MET 50 -11.751 -5.239 2.740 408 HE3 MET 50 3HE MET 50 -10.210 -4.393 2.889 409 H ASP 51 H ASP 51 -8.749 -8.372 5.900 410 HA ASP 51 HA ASP 51 -6.147 -7.056 5.473 411 HB2 ASP 51 1HB ASP 51 -6.003 -9.012 7.002 412 HB3 ASP 51 2HB ASP 51 -6.645 -10.029 5.715 413 H LEU 52 H LEU 52 -6.091 -6.372 3.435 414 HA LEU 52 HA LEU 52 -7.673 -7.339 1.337 415 HB2 LEU 52 1HB LEU 52 -5.012 -5.978 1.008 416 HB3 LEU 52 2HB LEU 52 -6.379 -5.963 -0.104 417 HG LEU 52 HG LEU 52 -6.101 -4.509 2.516 418 HD11 LEU 52 1HD1 LEU 52 -5.107 -3.391 0.627 419 HD12 LEU 52 2HD1 LEU 52 -6.590 -2.556 1.086 420 HD13 LEU 52 3HD1 LEU 52 -6.575 -3.615 -0.324 421 HD21 LEU 52 1HD2 LEU 52 -8.515 -5.430 1.124 422 HD22 LEU 52 2HD2 LEU 52 -8.499 -3.711 1.520 423 HD23 LEU 52 3HD2 LEU 52 -8.292 -4.912 2.796 424 H ALA 53 H ALA 53 -4.458 -8.234 2.428 425 HA ALA 53 HA ALA 53 -3.420 -9.633 0.338 426 HB1 ALA 53 1HB ALA 53 -2.082 -10.776 1.850 427 HB2 ALA 53 2HB ALA 53 -2.533 -9.323 2.743 428 HB3 ALA 53 3HB ALA 53 -3.352 -10.849 3.072 429 H SER 54 H SER 54 -5.819 -10.843 2.663 430 HA SER 54 HA SER 54 -6.058 -13.375 1.317 431 HB2 SER 54 1HB SER 54 -6.404 -13.299 3.716 432 HB3 SER 54 2HB SER 54 -7.696 -12.114 3.528 433 HG SER 54 HG SER 54 -7.685 -14.844 2.803 434 H LYS 55 H LYS 55 -7.748 -10.316 1.326 435 HA LYS 55 HA LYS 55 -10.115 -11.150 0.042 436 HB2 LYS 55 1HB LYS 55 -8.770 -8.443 -0.055 437 HB3 LYS 55 2HB LYS 55 -10.443 -8.777 -0.483 438 HG2 LYS 55 1HG LYS 55 -9.360 -9.365 2.252 439 HG3 LYS 55 2HG LYS 55 -9.992 -7.776 1.811 440 HD2 LYS 55 1HD LYS 55 -11.673 -10.138 1.182 441 HD3 LYS 55 2HD LYS 55 -11.521 -9.680 2.879 442 HE2 LYS 55 1HE LYS 55 -13.314 -8.394 2.307 443 HE3 LYS 55 2HE LYS 55 -12.017 -7.274 1.894 444 HZ1 LYS 55 1HZ LYS 55 -13.095 -9.142 -0.120 445 HZ2 LYS 55 2HZ LYS 55 -12.273 -7.683 -0.358 446 HZ3 LYS 55 3HZ LYS 55 -13.872 -7.672 0.196 447 H ALA 56 H ALA 56 -6.919 -10.547 -1.123 448 HA ALA 56 HA ALA 56 -7.403 -9.937 -3.799 449 HB1 ALA 56 1HB ALA 56 -5.159 -10.710 -2.200 450 HB2 ALA 56 2HB ALA 56 -5.121 -11.577 -3.736 451 HB3 ALA 56 3HB ALA 56 -5.190 -9.815 -3.719 452 H GLY 57 H GLY 57 -8.601 -11.038 -5.202 453 HA2 GLY 57 1HA GLY 57 -8.051 -13.802 -5.753 454 HA3 GLY 57 2HA GLY 57 -9.610 -13.569 -4.977 455 H LYS 58 H LYS 58 -11.149 -12.127 -6.044 456 HA LYS 58 HA LYS 58 -10.768 -12.116 -8.967 457 HB2 LYS 58 1HB LYS 58 -12.469 -13.730 -8.297 458 HB3 LYS 58 2HB LYS 58 -13.319 -12.488 -7.387 459 HG2 LYS 58 1HG LYS 58 -13.903 -11.323 -9.388 460 HG3 LYS 58 2HG LYS 58 -12.875 -12.378 -10.361 461 HD2 LYS 58 1HD LYS 58 -15.046 -13.194 -10.700 462 HD3 LYS 58 2HD LYS 58 -14.343 -14.292 -9.510 463 HE2 LYS 58 1HE LYS 58 -15.608 -13.423 -7.774 464 HE3 LYS 58 2HE LYS 58 -15.895 -11.899 -8.612 465 HZ1 LYS 58 1HZ LYS 58 -16.999 -14.439 -9.638 466 HZ2 LYS 58 2HZ LYS 58 -17.505 -12.858 -9.963 467 HZ3 LYS 58 3HZ LYS 58 -17.812 -13.549 -8.450 468 H HIS 59 H HIS 59 -12.079 -10.404 -6.184 469 HA HIS 59 HA HIS 59 -12.750 -8.087 -7.814 470 HB2 HIS 59 1HB HIS 59 -13.091 -8.683 -4.873 471 HB3 HIS 59 2HB HIS 59 -13.508 -7.134 -5.599 472 HD1 HIS 59 1HD HIS 59 -15.089 -7.775 -7.991 473 HD2 HIS 59 2HD HIS 59 -15.378 -10.062 -4.535 474 HE1 HIS 59 1HE HIS 59 -17.317 -8.932 -8.135 475 HE2 HIS 59 2HE HIS 59 -17.507 -10.243 -5.993 476 H LEU 60 H LEU 60 -10.043 -9.291 -6.308 477 HA LEU 60 HA LEU 60 -8.738 -6.689 -6.433 478 HB2 LEU 60 1HB LEU 60 -9.382 -6.819 -4.124 479 HB3 LEU 60 2HB LEU 60 -8.741 -8.455 -3.993 480 HG LEU 60 HG LEU 60 -6.494 -7.162 -4.679 481 HD11 LEU 60 1HD1 LEU 60 -6.442 -4.971 -4.246 482 HD12 LEU 60 2HD1 LEU 60 -7.428 -5.138 -2.794 483 HD13 LEU 60 3HD1 LEU 60 -8.200 -5.045 -4.377 484 HD21 LEU 60 1HD2 LEU 60 -7.018 -6.830 -1.837 485 HD22 LEU 60 2HD2 LEU 60 -5.845 -7.858 -2.661 486 HD23 LEU 60 3HD2 LEU 60 -7.505 -8.413 -2.442 487 H GLN 61 H GLN 61 -6.515 -6.789 -6.811 488 HA GLN 61 HA GLN 61 -5.237 -9.397 -6.976 489 HB2 GLN 61 1HB GLN 61 -5.603 -7.592 -9.370 490 HB3 GLN 61 2HB GLN 61 -4.476 -8.941 -9.319 491 HG2 GLN 61 1HG GLN 61 -7.384 -9.346 -8.752 492 HG3 GLN 61 2HG GLN 61 -6.777 -9.284 -10.405 493 HE21 GLN 61 1HE2 GLN 61 -6.360 -10.929 -7.312 494 HE22 GLN 61 2HE2 GLN 61 -5.853 -12.440 -7.979 495 H LEU 62 H LEU 62 -3.238 -9.244 -6.211 496 HA LEU 62 HA LEU 62 -2.039 -6.603 -5.905 497 HB2 LEU 62 1HB LEU 62 -0.951 -9.209 -4.878 498 HB3 LEU 62 2HB LEU 62 -0.587 -7.580 -4.314 499 HG LEU 62 HG LEU 62 -3.214 -9.020 -3.951 500 HD11 LEU 62 1HD1 LEU 62 -1.229 -9.863 -2.633 501 HD12 LEU 62 2HD1 LEU 62 -2.618 -9.324 -1.689 502 HD13 LEU 62 3HD1 LEU 62 -1.201 -8.286 -1.843 503 HD21 LEU 62 1HD2 LEU 62 -2.355 -6.461 -2.637 504 HD22 LEU 62 2HD2 LEU 62 -3.970 -7.164 -2.742 505 HD23 LEU 62 3HD2 LEU 62 -3.213 -6.472 -4.178 506 H LYS 63 H LYS 63 0.094 -6.127 -6.564 507 HA LYS 63 HA LYS 63 1.214 -7.938 -8.596 508 HB2 LYS 63 1HB LYS 63 -0.034 -5.660 -9.291 509 HB3 LYS 63 2HB LYS 63 1.574 -5.018 -8.984 510 HG2 LYS 63 1HG LYS 63 2.535 -6.499 -10.615 511 HG3 LYS 63 2HG LYS 63 0.983 -7.307 -10.848 512 HD2 LYS 63 1HD LYS 63 0.062 -5.488 -11.965 513 HD3 LYS 63 2HD LYS 63 1.241 -4.357 -11.296 514 HE2 LYS 63 1HE LYS 63 2.956 -5.802 -12.629 515 HE3 LYS 63 2HE LYS 63 1.536 -6.302 -13.546 516 HZ1 LYS 63 1HZ LYS 63 2.217 -3.454 -13.104 517 HZ2 LYS 63 2HZ LYS 63 1.136 -4.105 -14.230 518 HZ3 LYS 63 3HZ LYS 63 2.800 -4.329 -14.430 519 H GLU 64 H GLU 64 3.494 -7.801 -8.901 520 HA GLU 64 HA GLU 64 5.050 -6.187 -7.066 521 HB2 GLU 64 1HB GLU 64 4.849 -7.895 -5.529 522 HB3 GLU 64 2HB GLU 64 4.710 -9.136 -6.766 523 HG2 GLU 64 1HG GLU 64 7.288 -7.679 -6.447 524 HG3 GLU 64 2HG GLU 64 6.858 -8.947 -5.301 525 H THR 65 H THR 65 6.961 -5.638 -7.930 526 HA THR 65 HA THR 65 8.198 -7.316 -9.962 527 HB THR 65 HB THR 65 6.621 -5.739 -11.153 528 HG1 THR 65 1HG THR 65 8.688 -6.654 -12.008 529 HG21 THR 65 1HG2 THR 65 8.535 -3.734 -9.980 530 HG22 THR 65 2HG2 THR 65 6.772 -3.740 -9.909 531 HG23 THR 65 3HG2 THR 65 7.593 -3.399 -11.432 532 H PHE 66 H PHE 66 10.399 -6.784 -10.382 533 HA PHE 66 HA PHE 66 11.594 -4.959 -8.402 534 HB2 PHE 66 1HB PHE 66 12.066 -7.201 -7.677 535 HB3 PHE 66 2HB PHE 66 12.570 -7.675 -9.296 536 HD1 PHE 66 1HD PHE 66 13.431 -5.005 -6.829 537 HD2 PHE 66 2HD PHE 66 14.821 -7.941 -9.579 538 HE1 PHE 66 1HE PHE 66 15.755 -4.424 -6.269 539 HE2 PHE 66 2HE PHE 66 17.148 -7.365 -9.023 540 HZ PHE 66 HZ PHE 66 17.617 -5.605 -7.366 541 H GLU 67 H GLU 67 13.377 -3.757 -9.047 542 HA GLU 67 HA GLU 67 14.100 -3.920 -11.894 543 HB2 GLU 67 1HB GLU 67 13.082 -1.595 -10.347 544 HB3 GLU 67 2HB GLU 67 14.365 -1.287 -11.509 545 HG2 GLU 67 1HG GLU 67 13.039 -2.117 -13.307 546 HG3 GLU 67 2HG GLU 67 11.801 -2.697 -12.195 547 H ARG 68 H ARG 68 16.045 -4.939 -11.454 548 HA ARG 68 HA ARG 68 17.872 -4.185 -9.464 549 HB2 ARG 68 1HB ARG 68 19.528 -5.282 -11.235 550 HB3 ARG 68 2HB ARG 68 18.410 -6.248 -10.281 551 HG2 ARG 68 1HG ARG 68 17.449 -5.222 -12.890 552 HG3 ARG 68 2HG ARG 68 18.642 -6.523 -12.903 553 HD2 ARG 68 1HD ARG 68 16.314 -6.790 -11.080 554 HD3 ARG 68 2HD ARG 68 16.031 -6.995 -12.808 555 HE ARG 68 HE ARG 68 17.371 -8.814 -11.056 556 HH11 ARG 68 2HH1 ARG 68 17.193 -7.675 -14.341 557 HH12 ARG 68 1HH1 ARG 68 17.807 -9.145 -15.022 558 HH21 ARG 68 2HH2 ARG 68 18.180 -10.755 -11.940 559 HH22 ARG 68 1HH2 ARG 68 18.368 -10.896 -13.655 560 H HIS 69 H HIS 69 17.336 -2.996 -12.712 561 HA HIS 69 HA HIS 69 19.631 -1.679 -13.337 562 HB2 HIS 69 1HB HIS 69 16.937 -0.355 -13.631 563 HB3 HIS 69 2HB HIS 69 18.344 -0.196 -14.678 564 HD1 HIS 69 1HD HIS 69 15.500 -2.501 -13.889 565 HD2 HIS 69 2HD HIS 69 18.648 -2.208 -16.584 566 HE1 HIS 69 1HE HIS 69 15.044 -4.241 -15.647 567 HE2 HIS 69 2HE HIS 69 17.006 -4.103 -17.220 568 H SER 70 H SER 70 17.177 -0.648 -11.020 569 HA SER 70 HA SER 70 19.029 1.459 -10.114 570 HB2 SER 70 1HB SER 70 16.690 2.060 -11.212 571 HB3 SER 70 2HB SER 70 16.097 1.698 -9.592 572 HG SER 70 HG SER 70 16.693 3.928 -9.935 573 H ARG 71 H ARG 71 18.044 -1.480 -9.348 574 HA ARG 71 HA ARG 71 17.809 -2.708 -7.444 575 HB2 ARG 71 1HB ARG 71 19.599 -0.452 -6.625 576 HB3 ARG 71 2HB ARG 71 19.050 -1.602 -5.414 577 HG2 ARG 71 1HG ARG 71 19.904 -3.337 -7.233 578 HG3 ARG 71 2HG ARG 71 20.930 -1.969 -7.669 579 HD2 ARG 71 1HD ARG 71 20.673 -2.884 -4.825 580 HD3 ARG 71 2HD ARG 71 21.806 -3.654 -5.934 581 HE ARG 71 HE ARG 71 22.031 -0.786 -5.821 582 HH11 ARG 71 2HH1 ARG 71 23.053 -3.811 -4.435 583 HH12 ARG 71 1HH1 ARG 71 24.527 -3.168 -3.791 584 HH21 ARG 71 2HH2 ARG 71 23.969 0.073 -4.979 585 HH22 ARG 71 1HH2 ARG 71 25.047 -0.958 -4.100 586 H VAL 72 H VAL 72 15.521 -1.437 -7.951 587 HA VAL 72 HA VAL 72 14.550 -0.764 -5.270 588 HB VAL 72 HB VAL 72 14.007 0.873 -7.747 589 HG11 VAL 72 1HG1 VAL 72 12.758 1.200 -5.024 590 HG12 VAL 72 2HG1 VAL 72 12.418 2.142 -6.477 591 HG13 VAL 72 3HG1 VAL 72 11.957 0.441 -6.399 592 HG21 VAL 72 1HG2 VAL 72 14.760 2.700 -6.069 593 HG22 VAL 72 2HG2 VAL 72 15.476 1.353 -5.183 594 HG23 VAL 72 3HG2 VAL 72 15.980 1.686 -6.840 595 H TYR 73 H TYR 73 12.726 -1.803 -4.767 596 HA TYR 73 HA TYR 73 11.447 -3.427 -6.814 597 HB2 TYR 73 1HB TYR 73 11.225 -3.339 -3.808 598 HB3 TYR 73 2HB TYR 73 10.165 -4.330 -4.803 599 HD1 TYR 73 2HD TYR 73 13.752 -3.730 -4.019 600 HD2 TYR 73 1HD TYR 73 10.837 -6.465 -5.478 601 HE1 TYR 73 2HE TYR 73 15.441 -5.518 -4.026 602 HE2 TYR 73 1HE TYR 73 12.518 -8.260 -5.488 603 HH TYR 73 HH TYR 73 14.601 -8.837 -4.557 604 H THR 74 H THR 74 9.290 -3.315 -7.378 605 HA THR 74 HA THR 74 7.801 -0.973 -6.389 606 HB THR 74 HB THR 74 7.877 -1.961 -9.247 607 HG1 THR 74 1HG THR 74 9.689 -0.764 -8.958 608 HG21 THR 74 1HG2 THR 74 6.573 0.573 -8.324 609 HG22 THR 74 2HG2 THR 74 5.696 -0.956 -8.251 610 HG23 THR 74 3HG2 THR 74 6.294 -0.354 -9.797 611 H PHE 75 H PHE 75 6.182 -1.779 -5.215 612 HA PHE 75 HA PHE 75 4.761 -4.152 -6.217 613 HB2 PHE 75 1HB PHE 75 4.718 -3.001 -3.421 614 HB3 PHE 75 2HB PHE 75 4.012 -4.528 -3.942 615 HD1 PHE 75 1HD PHE 75 5.735 -6.178 -5.090 616 HD2 PHE 75 2HD PHE 75 6.764 -3.053 -2.389 617 HE1 PHE 75 1HE PHE 75 7.840 -7.336 -4.558 618 HE2 PHE 75 2HE PHE 75 8.871 -4.205 -1.853 619 HZ PHE 75 HZ PHE 75 9.412 -6.349 -2.939 620 H GLU 76 H GLU 76 2.760 -3.930 -6.969 621 HA GLU 76 HA GLU 76 1.314 -1.437 -6.354 622 HB2 GLU 76 1HB GLU 76 0.944 -3.161 -8.805 623 HB3 GLU 76 2HB GLU 76 0.278 -1.560 -8.515 624 HG2 GLU 76 1HG GLU 76 2.287 -0.504 -8.899 625 HG3 GLU 76 2HG GLU 76 3.234 -1.945 -8.535 626 H MET 77 H MET 77 -1.117 -1.683 -6.604 627 HA MET 77 HA MET 77 -2.082 -4.331 -5.821 628 HB2 MET 77 1HB MET 77 -1.606 -3.070 -3.737 629 HB3 MET 77 2HB MET 77 -2.722 -1.818 -4.266 630 HG2 MET 77 1HG MET 77 -3.784 -4.568 -4.189 631 HG3 MET 77 2HG MET 77 -3.406 -3.825 -2.636 632 HE1 MET 77 1HE MET 77 -5.492 -2.332 -1.401 633 HE2 MET 77 2HE MET 77 -4.059 -1.515 -2.026 634 HE3 MET 77 3HE MET 77 -5.662 -0.844 -2.334 635 H GLN 78 H GLN 78 -3.430 -4.720 -7.471 636 HA GLN 78 HA GLN 78 -5.064 -2.603 -8.591 637 HB2 GLN 78 1HB GLN 78 -3.887 -4.768 -9.715 638 HB3 GLN 78 2HB GLN 78 -5.510 -5.393 -9.455 639 HG2 GLN 78 1HG GLN 78 -6.454 -3.580 -10.741 640 HG3 GLN 78 2HG GLN 78 -4.859 -2.856 -10.936 641 HE21 GLN 78 1HE2 GLN 78 -3.265 -4.867 -11.616 642 HE22 GLN 78 2HE2 GLN 78 -3.781 -5.614 -13.086 643 H ILE 79 H ILE 79 -7.235 -2.370 -8.368 644 HA ILE 79 HA ILE 79 -8.628 -4.309 -6.641 645 HB ILE 79 HB ILE 79 -8.952 -1.306 -6.602 646 HG12 ILE 79 1HG1 ILE 79 -7.490 -3.258 -4.893 647 HG13 ILE 79 2HG1 ILE 79 -7.068 -1.603 -5.322 648 HG21 ILE 79 1HG2 ILE 79 -11.037 -2.709 -6.267 649 HG22 ILE 79 2HG2 ILE 79 -10.283 -3.295 -4.784 650 HG23 ILE 79 3HG2 ILE 79 -10.637 -1.578 -4.975 651 HD11 ILE 79 1HD1 ILE 79 -8.852 -0.821 -3.781 652 HD12 ILE 79 2HD1 ILE 79 -9.079 -2.496 -3.275 653 HD13 ILE 79 3HD1 ILE 79 -7.537 -1.689 -2.989 654 H ILE 80 H ILE 80 -9.882 -5.366 -8.071 655 HA ILE 80 HA ILE 80 -11.279 -3.897 -10.163 656 HB ILE 80 HB ILE 80 -11.649 -6.828 -9.692 657 HG12 ILE 80 1HG1 ILE 80 -9.598 -6.848 -11.441 658 HG13 ILE 80 2HG1 ILE 80 -9.143 -5.447 -10.477 659 HG21 ILE 80 1HG2 ILE 80 -12.077 -4.889 -11.838 660 HG22 ILE 80 2HG2 ILE 80 -11.326 -6.393 -12.368 661 HG23 ILE 80 3HG2 ILE 80 -12.874 -6.430 -11.525 662 HD11 ILE 80 1HD1 ILE 80 -9.174 -8.302 -9.777 663 HD12 ILE 80 2HD1 ILE 80 -8.111 -7.004 -9.232 664 HD13 ILE 80 3HD1 ILE 80 -9.713 -7.191 -8.518 665 H LYS 81 H LYS 81 -13.418 -3.484 -10.199 666 HA LYS 81 HA LYS 81 -15.539 -3.170 -9.437 667 HB2 LYS 81 1HB LYS 81 -15.196 -5.887 -8.161 668 HB3 LYS 81 2HB LYS 81 -16.713 -5.101 -8.580 669 HG2 LYS 81 1HG LYS 81 -15.740 -5.127 -10.995 670 HG3 LYS 81 2HG LYS 81 -14.699 -6.400 -10.353 671 HD2 LYS 81 1HD LYS 81 -16.985 -7.343 -9.441 672 HD3 LYS 81 2HD LYS 81 -17.651 -6.376 -10.760 673 HE2 LYS 81 1HE LYS 81 -16.242 -7.543 -12.356 674 HE3 LYS 81 2HE LYS 81 -15.493 -8.464 -11.053 675 HZ1 LYS 81 1HZ LYS 81 -17.629 -9.473 -10.576 676 HZ2 LYS 81 2HZ LYS 81 -17.201 -9.745 -12.189 677 HZ3 LYS 81 3HZ LYS 81 -18.363 -8.576 -11.809 678 H ALA 82 H ALA 82 -13.718 -1.863 -7.929 679 HA ALA 82 HA ALA 82 -13.561 -2.361 -5.219 680 HB1 ALA 82 1HB ALA 82 -13.078 -0.027 -4.925 681 HB2 ALA 82 2HB ALA 82 -12.347 -0.570 -6.436 682 HB3 ALA 82 3HB ALA 82 -13.839 0.369 -6.466 683 H LYS 83 H LYS 83 -15.078 -2.631 -3.733 684 HA LYS 83 HA LYS 83 -17.754 -1.552 -4.185 685 HB2 LYS 83 1HB LYS 83 -16.987 -3.302 -1.871 686 HB3 LYS 83 2HB LYS 83 -18.548 -3.142 -2.664 687 HG2 LYS 83 1HG LYS 83 -17.856 -4.421 -4.514 688 HG3 LYS 83 2HG LYS 83 -16.157 -4.317 -4.047 689 HD2 LYS 83 1HD LYS 83 -16.658 -5.643 -2.029 690 HD3 LYS 83 2HD LYS 83 -18.335 -5.788 -2.563 691 HE2 LYS 83 1HE LYS 83 -16.001 -6.696 -4.231 692 HE3 LYS 83 2HE LYS 83 -16.816 -7.749 -3.076 693 HZ1 LYS 83 1HZ LYS 83 -17.654 -6.908 -5.690 694 HZ2 LYS 83 2HZ LYS 83 -18.859 -6.712 -4.520 695 HZ3 LYS 83 3HZ LYS 83 -18.161 -8.233 -4.768 696 H ASP 84 H ASP 84 -18.927 -0.668 -2.269 697 HA ASP 84 HA ASP 84 -17.725 1.624 -1.295 698 HB2 ASP 84 1HB ASP 84 -19.679 2.004 -0.138 699 HB3 ASP 84 2HB ASP 84 -20.235 0.795 -1.292 700 H ASN 85 H ASN 85 -17.658 -1.622 -0.028 701 HA ASN 85 HA ASN 85 -16.756 -0.987 2.584 702 HB2 ASN 85 1HB ASN 85 -16.298 -3.540 1.025 703 HB3 ASN 85 2HB ASN 85 -16.204 -3.347 2.773 704 HD21 ASN 85 1HD2 ASN 85 -18.036 -4.623 0.489 705 HD22 ASN 85 2HD2 ASN 85 -19.607 -4.445 1.185 706 H PHE 86 H PHE 86 -15.195 -1.166 -0.486 707 HA PHE 86 HA PHE 86 -12.540 -1.578 0.472 708 HB2 PHE 86 1HB PHE 86 -13.666 -0.594 -2.145 709 HB3 PHE 86 2HB PHE 86 -11.933 -0.687 -1.851 710 HD1 PHE 86 2HD PHE 86 -14.713 -2.992 -0.937 711 HD2 PHE 86 1HD PHE 86 -11.102 -2.421 -3.117 712 HE1 PHE 86 2HE PHE 86 -14.735 -5.365 -1.589 713 HE2 PHE 86 1HE PHE 86 -11.119 -4.792 -3.773 714 HZ PHE 86 HZ PHE 86 -12.936 -6.268 -3.008 715 H ALA 87 H ALA 87 -14.550 0.913 1.012 716 HA ALA 87 HA ALA 87 -12.563 3.034 0.700 717 HB1 ALA 87 1HB ALA 87 -14.331 4.308 0.299 718 HB2 ALA 87 2HB ALA 87 -15.400 2.940 0.611 719 HB3 ALA 87 3HB ALA 87 -14.923 4.006 1.933 720 H GLY 88 H GLY 88 -11.936 4.379 2.457 721 HA2 GLY 88 1HA GLY 88 -12.380 4.682 4.963 722 HA3 GLY 88 2HA GLY 88 -12.021 2.963 5.041 723 H ASN 89 H ASN 89 -10.131 2.824 6.081 724 HA ASN 89 HA ASN 89 -7.915 4.516 5.126 725 HB2 ASN 89 1HB ASN 89 -8.387 5.069 7.411 726 HB3 ASN 89 2HB ASN 89 -8.449 3.370 7.870 727 HD21 ASN 89 1HD2 ASN 89 -6.204 5.572 6.218 728 HD22 ASN 89 2HD2 ASN 89 -4.797 5.050 7.075 729 H TYR 90 H TYR 90 -6.178 3.538 4.295 730 HA TYR 90 HA TYR 90 -6.095 0.606 4.370 731 HB2 TYR 90 1HB TYR 90 -5.059 2.660 2.446 732 HB3 TYR 90 2HB TYR 90 -4.340 1.054 2.485 733 HD1 TYR 90 2HD TYR 90 -7.838 2.382 2.636 734 HD2 TYR 90 1HD TYR 90 -5.093 -0.282 0.772 735 HE1 TYR 90 2HE TYR 90 -9.642 1.545 1.189 736 HE2 TYR 90 1HE TYR 90 -6.889 -1.126 -0.681 737 HH TYR 90 HH TYR 90 -10.082 0.344 -0.696 738 H ARG 91 H ARG 91 -3.801 -0.313 4.241 739 HA ARG 91 HA ARG 91 -1.780 1.212 5.644 740 HB2 ARG 91 1HB ARG 91 -3.214 0.299 7.459 741 HB3 ARG 91 2HB ARG 91 -2.880 -1.323 6.868 742 HG2 ARG 91 1HG ARG 91 -0.463 -0.908 7.285 743 HG3 ARG 91 2HG ARG 91 -0.909 0.628 8.031 744 HD2 ARG 91 1HD ARG 91 -2.436 -0.745 9.542 745 HD3 ARG 91 2HD ARG 91 -1.567 -2.158 8.944 746 HE ARG 91 HE ARG 91 0.195 -1.584 10.280 747 HH11 ARG 91 2HH1 ARG 91 -1.890 1.180 9.915 748 HH12 ARG 91 1HH1 ARG 91 -1.034 2.143 11.073 749 HH21 ARG 91 2HH2 ARG 91 1.331 -0.326 11.807 750 HH22 ARG 91 1HH2 ARG 91 0.798 1.285 12.149 751 H CYS 92 H CYS 92 0.088 0.761 4.699 752 HA CYS 92 HA CYS 92 0.400 -1.849 3.377 753 HB2 CYS 92 1HB CYS 92 0.555 -0.070 1.782 754 HB3 CYS 92 2HB CYS 92 1.659 0.836 2.809 755 HG CYS 92 HG CYS 92 2.432 -2.148 1.320 756 H GLU 93 H GLU 93 1.841 -3.238 4.157 757 HA GLU 93 HA GLU 93 3.885 -2.220 6.020 758 HB2 GLU 93 1HB GLU 93 2.178 -4.668 6.070 759 HB3 GLU 93 2HB GLU 93 3.790 -4.756 6.766 760 HG2 GLU 93 1HG GLU 93 3.148 -2.705 8.120 761 HG3 GLU 93 2HG GLU 93 1.493 -3.021 7.603 762 H VAL 94 H VAL 94 5.882 -2.318 5.260 763 HA VAL 94 HA VAL 94 6.577 -4.494 3.395 764 HB VAL 94 HB VAL 94 6.525 -2.441 2.136 765 HG11 VAL 94 1HG1 VAL 94 7.505 -0.437 2.752 766 HG12 VAL 94 2HG1 VAL 94 6.913 -1.053 4.296 767 HG13 VAL 94 3HG1 VAL 94 8.620 -1.210 3.879 768 HG21 VAL 94 1HG2 VAL 94 8.582 -4.150 2.136 769 HG22 VAL 94 2HG2 VAL 94 8.496 -2.756 1.059 770 HG23 VAL 94 3HG2 VAL 94 9.447 -2.668 2.542 771 H THR 95 H THR 95 7.814 -5.877 4.486 772 HA THR 95 HA THR 95 9.756 -4.837 6.427 773 HB THR 95 HB THR 95 8.804 -7.681 6.032 774 HG1 THR 95 1HG THR 95 7.340 -5.933 6.959 775 HG21 THR 95 1HG2 THR 95 11.012 -7.677 6.975 776 HG22 THR 95 2HG2 THR 95 9.867 -8.017 8.272 777 HG23 THR 95 3HG2 THR 95 10.575 -6.409 8.119 778 H TYR 96 H TYR 96 11.911 -5.099 6.175 779 HA TYR 96 HA TYR 96 12.888 -6.807 4.004 780 HB2 TYR 96 1HB TYR 96 12.624 -4.378 3.255 781 HB3 TYR 96 2HB TYR 96 13.930 -4.000 4.373 782 HD1 TYR 96 2HD TYR 96 13.621 -7.022 2.239 783 HD2 TYR 96 1HD TYR 96 15.633 -3.331 2.895 784 HE1 TYR 96 2HE TYR 96 15.266 -7.618 0.512 785 HE2 TYR 96 1HE TYR 96 17.283 -3.917 1.169 786 HH TYR 96 HH TYR 96 18.154 -6.271 0.178 787 H LYS 97 H LYS 97 15.434 -6.703 4.069 788 HA LYS 97 HA LYS 97 16.226 -7.817 6.528 789 HB2 LYS 97 1HB LYS 97 18.264 -6.690 4.662 790 HB3 LYS 97 2HB LYS 97 18.268 -8.219 5.530 791 HG2 LYS 97 1HG LYS 97 16.762 -7.515 3.029 792 HG3 LYS 97 2HG LYS 97 18.015 -8.740 3.244 793 HD2 LYS 97 1HD LYS 97 15.448 -8.876 4.787 794 HD3 LYS 97 2HD LYS 97 15.545 -9.491 3.135 795 HE2 LYS 97 1HE LYS 97 16.133 -11.399 4.195 796 HE3 LYS 97 2HE LYS 97 17.729 -10.651 4.172 797 HZ1 LYS 97 1HZ LYS 97 16.412 -9.704 6.428 798 HZ2 LYS 97 2HZ LYS 97 17.735 -10.756 6.368 799 HZ3 LYS 97 3HZ LYS 97 16.162 -11.377 6.395 800 H ASP 98 H ASP 98 17.683 -4.933 5.030 801 HA ASP 98 HA ASP 98 19.031 -3.900 7.125 802 HB2 ASP 98 1HB ASP 98 18.150 -1.578 6.148 803 HB3 ASP 98 2HB ASP 98 19.304 -2.583 5.274 804 H LYS 99 H LYS 99 15.861 -2.474 6.384 805 HA LYS 99 HA LYS 99 15.147 -2.633 9.221 806 HB2 LYS 99 1HB LYS 99 14.996 -0.090 7.591 807 HB3 LYS 99 2HB LYS 99 14.449 -0.286 9.251 808 HG2 LYS 99 1HG LYS 99 17.296 -0.819 8.502 809 HG3 LYS 99 2HG LYS 99 16.726 0.821 8.819 810 HD2 LYS 99 1HD LYS 99 15.905 0.054 11.031 811 HD3 LYS 99 2HD LYS 99 16.614 -1.530 10.708 812 HE2 LYS 99 1HE LYS 99 18.810 -0.646 10.703 813 HE3 LYS 99 2HE LYS 99 18.219 1.014 10.640 814 HZ1 LYS 99 1HZ LYS 99 17.816 -0.836 12.928 815 HZ2 LYS 99 2HZ LYS 99 17.372 0.794 12.864 816 HZ3 LYS 99 3HZ LYS 99 19.007 0.363 12.857 817 H PHE 100 H PHE 100 12.817 -1.911 9.548 818 HA PHE 100 HA PHE 100 11.194 -2.771 7.243 819 HB2 PHE 100 1HB PHE 100 10.722 -4.506 8.639 820 HB3 PHE 100 2HB PHE 100 11.156 -3.598 10.083 821 HD1 PHE 100 1HD PHE 100 8.522 -3.670 7.444 822 HD2 PHE 100 2HD PHE 100 9.481 -3.005 11.537 823 HE1 PHE 100 1HE PHE 100 6.136 -3.342 7.947 824 HE2 PHE 100 2HE PHE 100 7.097 -2.677 12.046 825 HZ PHE 100 HZ PHE 100 5.420 -2.846 10.250 826 H ASP 101 H ASP 101 9.978 -1.197 6.458 827 HA ASP 101 HA ASP 101 9.109 0.956 8.269 828 HB2 ASP 101 1HB ASP 101 9.974 0.918 5.425 829 HB3 ASP 101 2HB ASP 101 8.698 2.052 5.861 830 H SER 102 H SER 102 6.984 1.849 7.950 831 HA SER 102 HA SER 102 5.089 0.281 6.399 832 HB2 SER 102 1HB SER 102 5.019 0.470 9.410 833 HB3 SER 102 2HB SER 102 3.581 0.103 8.457 834 HG SER 102 HG SER 102 5.071 -1.596 7.501 835 H CYS 103 H CYS 103 3.618 1.569 5.500 836 HA CYS 103 HA CYS 103 3.072 4.173 6.761 837 HB2 CYS 103 1HB CYS 103 3.860 3.543 3.952 838 HB3 CYS 103 2HB CYS 103 2.719 4.856 4.220 839 HG CYS 103 HG CYS 103 6.004 4.796 4.650 840 H SER 104 H SER 104 1.046 5.196 5.729 841 HA SER 104 HA SER 104 -0.953 3.187 5.004 842 HB2 SER 104 1HB SER 104 -2.524 3.933 6.685 843 HB3 SER 104 2HB SER 104 -1.022 3.478 7.488 844 HG SER 104 HG SER 104 -1.043 6.097 6.756 845 H PHE 105 H PHE 105 -2.971 4.161 4.208 846 HA PHE 105 HA PHE 105 -2.790 6.950 3.382 847 HB2 PHE 105 1HB PHE 105 -3.464 6.194 1.012 848 HB3 PHE 105 2HB PHE 105 -1.774 6.026 1.478 849 HD1 PHE 105 1HD PHE 105 -1.050 3.726 2.389 850 HD2 PHE 105 2HD PHE 105 -4.618 4.380 0.163 851 HE1 PHE 105 1HE PHE 105 -1.129 1.333 1.819 852 HE2 PHE 105 2HE PHE 105 -4.704 1.989 -0.410 853 HZ PHE 105 HZ PHE 105 -2.959 0.462 0.419 854 H ASP 106 H ASP 106 -4.879 7.289 1.824 855 HA ASP 106 HA ASP 106 -7.155 6.050 3.226 856 HB2 ASP 106 1HB ASP 106 -8.341 8.180 3.123 857 HB3 ASP 106 2HB ASP 106 -6.814 8.374 3.980 858 H LEU 107 H LEU 107 -8.851 5.390 1.998 859 HA LEU 107 HA LEU 107 -8.723 5.947 -0.891 860 HB2 LEU 107 1HB LEU 107 -7.969 3.638 -0.229 861 HB3 LEU 107 2HB LEU 107 -9.615 3.343 0.325 862 HG LEU 107 HG LEU 107 -8.913 2.483 -1.997 863 HD11 LEU 107 1HD1 LEU 107 -11.390 3.761 -1.092 864 HD12 LEU 107 2HD1 LEU 107 -11.121 2.163 -1.787 865 HD13 LEU 107 3HD1 LEU 107 -11.253 3.572 -2.840 866 HD21 LEU 107 1HD2 LEU 107 -9.035 4.011 -3.814 867 HD22 LEU 107 2HD2 LEU 107 -7.894 4.685 -2.650 868 HD23 LEU 107 3HD2 LEU 107 -9.533 5.331 -2.756 869 H GLU 108 H GLU 108 -10.543 6.706 -1.766 870 HA GLU 108 HA GLU 108 -12.999 6.584 -0.147 871 HB2 GLU 108 1HB GLU 108 -11.815 8.685 -1.888 872 HB3 GLU 108 2HB GLU 108 -13.567 8.554 -1.859 873 HG2 GLU 108 1HG GLU 108 -13.667 9.012 0.448 874 HG3 GLU 108 2HG GLU 108 -11.931 8.776 0.646 875 H VAL 109 H VAL 109 -14.968 6.103 -1.138 876 HA VAL 109 HA VAL 109 -14.799 5.040 -3.880 877 HB VAL 109 HB VAL 109 -16.422 3.781 -1.669 878 HG11 VAL 109 1HG1 VAL 109 -15.649 2.414 -4.199 879 HG12 VAL 109 2HG1 VAL 109 -17.070 2.183 -3.179 880 HG13 VAL 109 3HG1 VAL 109 -16.961 3.592 -4.236 881 HG21 VAL 109 1HG2 VAL 109 -14.065 2.392 -2.802 882 HG22 VAL 109 2HG2 VAL 109 -13.754 3.704 -1.666 883 HG23 VAL 109 3HG2 VAL 109 -14.744 2.330 -1.175 884 H HIS 110 H HIS 110 -16.173 6.024 -5.195 885 HA HIS 110 HA HIS 110 -18.514 7.377 -4.049 886 HB2 HIS 110 1HB HIS 110 -17.024 7.777 -6.645 887 HB3 HIS 110 2HB HIS 110 -18.558 8.564 -6.287 888 HD1 HIS 110 1HD HIS 110 -17.106 10.804 -6.561 889 HD2 HIS 110 2HD HIS 110 -16.243 8.456 -3.244 890 HE1 HIS 110 1HE HIS 110 -15.813 12.294 -5.001 891 HE2 HIS 110 2HE HIS 110 -15.228 10.826 -3.039 892 H GLU 111 H GLU 111 -20.561 7.221 -5.095 893 HA GLU 111 HA GLU 111 -21.167 4.575 -5.981 894 HB2 GLU 111 1HB GLU 111 -22.847 7.076 -5.786 895 HB3 GLU 111 2HB GLU 111 -23.486 5.512 -6.272 896 HG2 GLU 111 1HG GLU 111 -22.359 4.759 -3.999 897 HG3 GLU 111 2HG GLU 111 -22.607 6.460 -3.607 898 H SER 112 H SER 112 -21.172 3.801 -7.982 899 HA SER 112 HA SER 112 -20.404 5.389 -10.200 900 HB2 SER 112 1HB SER 112 -19.747 3.139 -10.335 901 HB3 SER 112 2HB SER 112 -21.348 2.549 -9.892 902 HG SER 112 HG SER 112 -20.354 2.990 -12.327 903 H THR 113 H THR 113 -21.593 6.579 -11.531 904 HA THR 113 HA THR 113 -24.271 5.865 -12.269 905 HB THR 113 HB THR 113 -25.291 8.022 -11.493 906 HG1 THR 113 1HG THR 113 -22.741 8.257 -10.376 907 HG21 THR 113 1HG2 THR 113 -24.309 6.378 -9.170 908 HG22 THR 113 2HG2 THR 113 -25.512 5.780 -10.313 909 HG23 THR 113 3HG2 THR 113 -25.852 7.213 -9.344 910 H GLY 114 H GLY 114 -24.905 6.837 -14.158 911 HA2 GLY 114 1HA GLY 114 -22.896 8.044 -15.752 912 HA3 GLY 114 2HA GLY 114 -24.593 7.884 -16.180 913 H THR 115 H THR 115 -22.413 9.810 -14.136 914 HA THR 115 HA THR 115 -23.894 12.205 -14.942 915 HB THR 115 HB THR 115 -23.931 13.092 -12.673 916 HG1 THR 115 1HG THR 115 -22.299 10.950 -12.208 917 HG21 THR 115 1HG2 THR 115 -25.135 10.428 -12.214 918 HG22 THR 115 2HG2 THR 115 -25.660 11.289 -13.661 919 HG23 THR 115 3HG2 THR 115 -25.848 12.034 -12.074 920 H THR 116 H THR 116 -22.703 14.217 -14.435 921 HA THR 116 HA THR 116 -19.797 13.806 -14.234 922 HB THR 116 HB THR 116 -19.439 15.551 -15.948 923 HG1 THR 116 1HG THR 116 -21.820 16.250 -15.589 924 HG21 THR 116 1HG2 THR 116 -19.827 14.171 -17.847 925 HG22 THR 116 2HG2 THR 116 -21.172 13.348 -17.057 926 HG23 THR 116 3HG2 THR 116 -19.523 13.087 -16.491 927 HA PRO 117 HA PRO 117 -20.029 16.997 -11.200 928 HB2 PRO 117 1HB PRO 117 -17.410 17.711 -11.165 929 HB3 PRO 117 2HB PRO 117 -18.006 16.210 -10.445 930 HG2 PRO 117 1HG PRO 117 -16.697 16.647 -13.102 931 HG3 PRO 117 2HG PRO 117 -16.427 15.352 -11.921 932 HD2 PRO 117 1HD PRO 117 -17.957 15.015 -14.129 933 HD3 PRO 117 2HD PRO 117 -18.286 14.173 -12.601 934 H ASN 118 H ASN 118 -20.082 19.231 -11.028 935 HA ASN 118 HA ASN 118 -20.442 20.700 -13.403 936 HB2 ASN 118 1HB ASN 118 -20.485 22.694 -11.847 937 HB3 ASN 118 2HB ASN 118 -21.618 21.406 -11.449 938 HD21 ASN 118 1HD2 ASN 118 -21.363 20.255 -9.580 939 HD22 ASN 118 2HD2 ASN 118 -20.225 20.684 -8.353 940 H ILE 119 H ILE 119 -19.212 22.344 -14.344 941 HA ILE 119 HA ILE 119 -16.344 22.242 -13.683 942 HB ILE 119 HB ILE 119 -17.644 22.936 -16.319 943 HG12 ILE 119 1HG1 ILE 119 -15.832 20.597 -15.920 944 HG13 ILE 119 2HG1 ILE 119 -17.497 20.465 -15.365 945 HG21 ILE 119 1HG2 ILE 119 -15.626 23.521 -17.153 946 HG22 ILE 119 2HG2 ILE 119 -15.298 23.911 -15.465 947 HG23 ILE 119 3HG2 ILE 119 -14.752 22.375 -16.138 948 HD11 ILE 119 1HD1 ILE 119 -16.613 19.888 -17.875 949 HD12 ILE 119 2HD1 ILE 119 -18.284 20.249 -17.438 950 HD13 ILE 119 3HD1 ILE 119 -17.242 21.523 -18.071 951 H ASP 120 H ASP 120 -15.423 24.024 -12.924 952 HA ASP 120 HA ASP 120 -16.396 26.647 -13.719 953 HB2 ASP 120 1HB ASP 120 -16.830 27.458 -11.537 954 HB3 ASP 120 2HB ASP 120 -17.662 25.909 -11.633 955 H SER 121 H SER 121 -14.820 28.174 -13.761 956 HA SER 121 HA SER 121 -12.212 27.630 -14.067 957 HB2 SER 121 1HB SER 121 -13.070 29.857 -14.473 958 HB3 SER 121 2HB SER 121 -13.363 30.101 -12.751 959 HG SER 121 HG SER 121 -11.370 31.032 -13.641 960 H GLY 122 H GLY 122 -10.331 27.533 -12.832 961 HA2 GLY 122 1HA GLY 122 -9.063 27.470 -10.860 962 HA3 GLY 122 2HA GLY 122 -10.543 27.639 -9.928 963 HA PRO 123 HA PRO 123 -10.261 22.972 -11.183 964 HB2 PRO 123 1HB PRO 123 -7.924 22.161 -12.300 965 HB3 PRO 123 2HB PRO 123 -9.296 22.735 -13.254 966 HG2 PRO 123 1HG PRO 123 -6.826 24.203 -12.417 967 HG3 PRO 123 2HG PRO 123 -7.651 24.205 -13.987 968 HD2 PRO 123 1HD PRO 123 -7.946 26.203 -12.183 969 HD3 PRO 123 2HD PRO 123 -9.247 25.713 -13.287 970 H SER 124 H SER 124 -6.993 24.241 -10.503 971 HA SER 124 HA SER 124 -7.026 23.265 -7.820 972 HB2 SER 124 1HB SER 124 -5.187 21.637 -8.050 973 HB3 SER 124 2HB SER 124 -6.610 21.135 -8.963 974 HG SER 124 HG SER 124 -5.367 21.096 -10.642 975 H SER 125 H SER 125 -4.825 23.560 -6.777 976 HA SER 125 HA SER 125 -3.120 25.497 -8.132 977 HB2 SER 125 1HB SER 125 -4.371 26.102 -5.442 978 HB3 SER 125 2HB SER 125 -3.256 27.133 -6.339 979 HG SER 125 HG SER 125 -5.120 27.942 -6.986 980 H GLY 126 H GLY 126 -1.016 25.443 -7.467 981 HA2 GLY 126 1HA GLY 126 -0.139 24.431 -4.973 982 HA3 GLY 126 2HA GLY 126 -0.034 23.170 -6.193 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 12.099 10.740 22.749 2 HA2 GLY 1 1HA GLY 1 13.394 9.470 21.236 3 HA3 GLY 1 2HA GLY 1 11.750 8.984 20.850 4 H SER 2 H SER 2 14.483 9.655 19.394 5 HA SER 2 HA SER 2 13.151 10.910 17.091 6 HB2 SER 2 1HB SER 2 15.946 11.515 18.085 7 HB3 SER 2 2HB SER 2 15.252 12.122 16.582 8 HG SER 2 HG SER 2 14.905 13.699 18.066 9 H SER 3 H SER 3 13.073 9.440 15.534 10 HA SER 3 HA SER 3 14.400 7.053 15.372 11 HB2 SER 3 1HB SER 3 13.146 8.826 13.314 12 HB3 SER 3 2HB SER 3 14.054 7.412 12.778 13 HG SER 3 HG SER 3 12.685 6.226 14.335 14 H GLY 4 H GLY 4 16.375 6.358 14.802 15 HA2 GLY 4 1HA GLY 4 18.235 8.351 13.658 16 HA3 GLY 4 2HA GLY 4 18.716 7.212 14.908 17 H SER 5 H SER 5 17.880 7.594 11.533 18 HA SER 5 HA SER 5 19.447 5.231 10.898 19 HB2 SER 5 1HB SER 5 17.152 4.358 11.168 20 HB3 SER 5 2HB SER 5 16.580 5.511 9.962 21 HG SER 5 HG SER 5 18.497 3.460 9.529 22 H SER 6 H SER 6 19.703 5.003 8.481 23 HA SER 6 HA SER 6 19.774 7.679 7.247 24 HB2 SER 6 1HB SER 6 21.666 5.353 6.822 25 HB3 SER 6 2HB SER 6 21.753 6.904 5.988 26 HG SER 6 HG SER 6 23.120 6.584 7.935 27 H GLY 7 H GLY 7 19.312 4.222 6.652 28 HA2 GLY 7 1HA GLY 7 18.385 4.737 3.940 29 HA3 GLY 7 2HA GLY 7 18.574 3.162 4.696 30 H ILE 8 H ILE 8 16.324 4.730 3.256 31 HA ILE 8 HA ILE 8 14.234 3.986 5.192 32 HB ILE 8 HB ILE 8 14.131 6.357 3.323 33 HG12 ILE 8 1HG1 ILE 8 13.857 7.458 5.731 34 HG13 ILE 8 2HG1 ILE 8 14.791 6.046 6.216 35 HG21 ILE 8 1HG2 ILE 8 11.931 5.695 3.475 36 HG22 ILE 8 2HG2 ILE 8 12.124 5.055 5.106 37 HG23 ILE 8 3HG2 ILE 8 12.056 6.798 4.846 38 HD11 ILE 8 1HD1 ILE 8 16.550 6.675 4.646 39 HD12 ILE 8 2HD1 ILE 8 15.613 8.092 4.168 40 HD13 ILE 8 3HD1 ILE 8 16.228 7.956 5.815 41 H LEU 9 H LEU 9 12.735 2.631 4.434 42 HA LEU 9 HA LEU 9 12.882 1.808 1.653 43 HB2 LEU 9 1HB LEU 9 11.172 0.741 3.895 44 HB3 LEU 9 2HB LEU 9 11.405 -0.004 2.315 45 HG LEU 9 HG LEU 9 13.536 0.347 4.423 46 HD11 LEU 9 1HD1 LEU 9 11.852 -1.999 3.596 47 HD12 LEU 9 2HD1 LEU 9 12.068 -1.314 5.206 48 HD13 LEU 9 3HD1 LEU 9 13.392 -2.185 4.434 49 HD21 LEU 9 1HD2 LEU 9 13.572 -0.961 1.708 50 HD22 LEU 9 2HD2 LEU 9 14.823 -1.181 2.931 51 HD23 LEU 9 3HD2 LEU 9 14.530 0.418 2.246 52 H PHE 10 H PHE 10 10.518 1.101 0.827 53 HA PHE 10 HA PHE 10 8.630 1.877 -0.179 54 HB2 PHE 10 1HB PHE 10 8.181 1.956 2.492 55 HB3 PHE 10 2HB PHE 10 7.901 3.644 2.077 56 HD1 PHE 10 2HD PHE 10 7.158 0.542 0.163 57 HD2 PHE 10 1HD PHE 10 5.616 3.957 2.181 58 HE1 PHE 10 2HE PHE 10 4.892 -0.029 -0.609 59 HE2 PHE 10 1HE PHE 10 3.347 3.391 1.413 60 HZ PHE 10 HZ PHE 10 2.984 1.397 0.015 61 H ILE 11 H ILE 11 10.851 3.247 -0.963 62 HA ILE 11 HA ILE 11 11.154 5.903 -0.729 63 HB ILE 11 HB ILE 11 12.381 4.464 -2.352 64 HG12 ILE 11 1HG1 ILE 11 12.232 6.351 -4.244 65 HG13 ILE 11 2HG1 ILE 11 11.349 7.186 -2.970 66 HG21 ILE 11 1HG2 ILE 11 10.388 3.422 -3.369 67 HG22 ILE 11 2HG2 ILE 11 10.008 4.960 -4.144 68 HG23 ILE 11 3HG2 ILE 11 11.489 4.102 -4.568 69 HD11 ILE 11 1HD1 ILE 11 13.688 7.792 -2.936 70 HD12 ILE 11 2HD1 ILE 11 13.264 6.900 -1.475 71 HD13 ILE 11 3HD1 ILE 11 14.146 6.097 -2.773 72 H GLU 12 H GLU 12 8.636 4.362 -2.707 73 HA GLU 12 HA GLU 12 7.385 6.968 -3.146 74 HB2 GLU 12 1HB GLU 12 7.752 5.002 -4.900 75 HB3 GLU 12 2HB GLU 12 6.218 4.453 -4.238 76 HG2 GLU 12 1HG GLU 12 6.450 7.290 -5.082 77 HG3 GLU 12 2HG GLU 12 6.335 6.047 -6.327 78 H LYS 13 H LYS 13 5.286 7.449 -2.515 79 HA LYS 13 HA LYS 13 4.108 5.609 -0.535 80 HB2 LYS 13 1HB LYS 13 4.163 8.632 -0.512 81 HB3 LYS 13 2HB LYS 13 3.222 7.650 0.603 82 HG2 LYS 13 1HG LYS 13 5.584 6.543 1.048 83 HG3 LYS 13 2HG LYS 13 6.147 8.119 0.485 84 HD2 LYS 13 1HD LYS 13 4.317 8.989 2.177 85 HD3 LYS 13 2HD LYS 13 4.586 7.411 2.921 86 HE2 LYS 13 1HE LYS 13 6.974 7.892 3.088 87 HE3 LYS 13 2HE LYS 13 6.720 9.457 2.317 88 HZ1 LYS 13 1HZ LYS 13 6.834 9.809 4.644 89 HZ2 LYS 13 2HZ LYS 13 5.723 8.576 4.967 90 HZ3 LYS 13 3HZ LYS 13 5.211 9.997 4.207 91 HA PRO 14 HA PRO 14 0.817 5.784 -3.598 92 HB2 PRO 14 1HB PRO 14 -0.608 3.744 -2.512 93 HB3 PRO 14 2HB PRO 14 0.807 3.487 -3.540 94 HG2 PRO 14 1HG PRO 14 0.599 3.433 -0.554 95 HG3 PRO 14 2HG PRO 14 1.474 2.333 -1.635 96 HD2 PRO 14 1HD PRO 14 2.707 4.319 -0.269 97 HD3 PRO 14 2HD PRO 14 3.256 3.776 -1.868 98 H GLN 15 H GLN 15 0.144 7.868 -2.751 99 HA GLN 15 HA GLN 15 -1.442 8.107 -0.412 100 HB2 GLN 15 1HB GLN 15 -0.786 9.858 -2.733 101 HB3 GLN 15 2HB GLN 15 -2.171 10.291 -1.739 102 HG2 GLN 15 1HG GLN 15 -0.895 10.823 0.061 103 HG3 GLN 15 2HG GLN 15 0.364 9.658 -0.346 104 HE21 GLN 15 1HE2 GLN 15 2.132 10.345 -1.375 105 HE22 GLN 15 2HE2 GLN 15 2.368 11.944 -1.984 106 H GLY 16 H GLY 16 -3.287 6.986 -0.232 107 HA2 GLY 16 1HA GLY 16 -4.924 5.903 -2.080 108 HA3 GLY 16 2HA GLY 16 -5.541 6.583 -0.582 109 H GLY 17 H GLY 17 -6.929 6.484 -3.079 110 HA2 GLY 17 1HA GLY 17 -7.277 9.381 -3.503 111 HA3 GLY 17 2HA GLY 17 -7.186 8.288 -4.876 112 H THR 18 H THR 18 -9.208 8.533 -5.691 113 HA THR 18 HA THR 18 -11.393 7.472 -4.052 114 HB THR 18 HB THR 18 -11.770 9.928 -5.765 115 HG1 THR 18 1HG THR 18 -12.019 10.795 -3.428 116 HG21 THR 18 1HG2 THR 18 -13.786 10.038 -4.084 117 HG22 THR 18 2HG2 THR 18 -13.485 8.307 -3.937 118 HG23 THR 18 3HG2 THR 18 -13.865 9.005 -5.510 119 H VAL 19 H VAL 19 -12.163 5.773 -5.107 120 HA VAL 19 HA VAL 19 -12.273 5.872 -8.052 121 HB VAL 19 HB VAL 19 -10.718 4.160 -7.245 122 HG11 VAL 19 1HG1 VAL 19 -12.652 3.771 -5.251 123 HG12 VAL 19 2HG1 VAL 19 -12.608 2.276 -6.188 124 HG13 VAL 19 3HG1 VAL 19 -11.130 2.906 -5.459 125 HG21 VAL 19 1HG2 VAL 19 -12.646 3.862 -9.146 126 HG22 VAL 19 2HG2 VAL 19 -11.315 2.737 -8.876 127 HG23 VAL 19 3HG2 VAL 19 -12.894 2.422 -8.158 128 H LYS 20 H LYS 20 -14.139 5.266 -9.083 129 HA LYS 20 HA LYS 20 -16.562 5.461 -7.574 130 HB2 LYS 20 1HB LYS 20 -16.106 6.259 -9.986 131 HB3 LYS 20 2HB LYS 20 -16.392 4.586 -10.448 132 HG2 LYS 20 1HG LYS 20 -18.424 5.772 -10.749 133 HG3 LYS 20 2HG LYS 20 -18.620 4.742 -9.329 134 HD2 LYS 20 1HD LYS 20 -19.544 6.844 -8.754 135 HD3 LYS 20 2HD LYS 20 -17.981 6.754 -7.938 136 HE2 LYS 20 1HE LYS 20 -17.847 8.857 -8.825 137 HE3 LYS 20 2HE LYS 20 -17.145 7.924 -10.146 138 HZ1 LYS 20 1HZ LYS 20 -18.785 9.522 -10.935 139 HZ2 LYS 20 2HZ LYS 20 -19.978 8.800 -9.978 140 HZ3 LYS 20 3HZ LYS 20 -19.282 7.936 -11.255 141 H VAL 21 H VAL 21 -18.249 3.890 -7.475 142 HA VAL 21 HA VAL 21 -17.392 1.318 -6.737 143 HB VAL 21 HB VAL 21 -20.143 2.379 -7.369 144 HG11 VAL 21 1HG1 VAL 21 -19.261 -0.360 -6.549 145 HG12 VAL 21 2HG1 VAL 21 -20.833 0.263 -6.043 146 HG13 VAL 21 3HG1 VAL 21 -20.453 0.116 -7.759 147 HG21 VAL 21 1HG2 VAL 21 -18.533 1.977 -4.880 148 HG22 VAL 21 2HG2 VAL 21 -19.441 3.394 -5.407 149 HG23 VAL 21 3HG2 VAL 21 -20.296 1.971 -4.812 150 H GLY 22 H GLY 22 -16.794 -0.331 -7.971 151 HA2 GLY 22 1HA GLY 22 -17.243 -1.978 -9.627 152 HA3 GLY 22 2HA GLY 22 -18.197 -0.793 -10.506 153 H GLU 23 H GLU 23 -15.764 1.070 -9.832 154 HA GLU 23 HA GLU 23 -14.500 0.698 -12.381 155 HB2 GLU 23 1HB GLU 23 -14.365 2.705 -10.191 156 HB3 GLU 23 2HB GLU 23 -12.977 2.589 -11.264 157 HG2 GLU 23 1HG GLU 23 -14.650 2.804 -13.174 158 HG3 GLU 23 2HG GLU 23 -15.806 3.307 -11.942 159 H ASP 24 H ASP 24 -11.925 1.160 -12.206 160 HA ASP 24 HA ASP 24 -10.817 -0.835 -10.347 161 HB2 ASP 24 1HB ASP 24 -9.391 -1.723 -12.086 162 HB3 ASP 24 2HB ASP 24 -11.064 -1.788 -12.636 163 H ILE 25 H ILE 25 -9.373 0.087 -9.067 164 HA ILE 25 HA ILE 25 -7.767 2.318 -10.134 165 HB ILE 25 HB ILE 25 -9.315 3.044 -8.367 166 HG12 ILE 25 1HG1 ILE 25 -6.594 3.089 -7.114 167 HG13 ILE 25 2HG1 ILE 25 -6.837 3.859 -8.678 168 HG21 ILE 25 1HG2 ILE 25 -9.443 0.901 -7.165 169 HG22 ILE 25 2HG2 ILE 25 -7.798 1.147 -6.582 170 HG23 ILE 25 3HG2 ILE 25 -9.082 2.250 -6.089 171 HD11 ILE 25 1HD1 ILE 25 -8.108 5.528 -7.811 172 HD12 ILE 25 2HD1 ILE 25 -8.729 4.527 -6.498 173 HD13 ILE 25 3HD1 ILE 25 -7.093 5.179 -6.412 174 H THR 26 H THR 26 -5.592 2.504 -9.373 175 HA THR 26 HA THR 26 -4.464 0.111 -8.111 176 HB THR 26 HB THR 26 -3.141 1.332 -10.527 177 HG1 THR 26 1HG THR 26 -4.021 -0.689 -11.543 178 HG21 THR 26 1HG2 THR 26 -1.743 -0.541 -10.495 179 HG22 THR 26 2HG2 THR 26 -2.850 -1.466 -9.481 180 HG23 THR 26 3HG2 THR 26 -1.924 -0.135 -8.789 181 H PHE 27 H PHE 27 -2.642 0.464 -6.882 182 HA PHE 27 HA PHE 27 -1.838 3.283 -6.580 183 HB2 PHE 27 1HB PHE 27 -1.759 1.112 -4.476 184 HB3 PHE 27 2HB PHE 27 -1.367 2.812 -4.241 185 HD1 PHE 27 2HD PHE 27 -3.155 4.514 -4.329 186 HD2 PHE 27 1HD PHE 27 -4.001 0.345 -4.472 187 HE1 PHE 27 2HE PHE 27 -5.502 4.974 -3.753 188 HE2 PHE 27 1HE PHE 27 -6.350 0.799 -3.897 189 HZ PHE 27 HZ PHE 27 -7.103 3.116 -3.535 190 H ILE 28 H ILE 28 0.338 3.777 -6.345 191 HA ILE 28 HA ILE 28 2.176 1.636 -7.174 192 HB ILE 28 HB ILE 28 2.385 4.629 -7.491 193 HG12 ILE 28 1HG1 ILE 28 0.923 3.500 -9.108 194 HG13 ILE 28 2HG1 ILE 28 2.379 4.107 -9.890 195 HG21 ILE 28 1HG2 ILE 28 4.431 3.304 -8.919 196 HG22 ILE 28 2HG2 ILE 28 4.592 4.435 -7.576 197 HG23 ILE 28 3HG2 ILE 28 4.474 2.704 -7.261 198 HD11 ILE 28 1HD1 ILE 28 1.815 1.260 -9.101 199 HD12 ILE 28 2HD1 ILE 28 1.853 1.924 -10.735 200 HD13 ILE 28 3HD1 ILE 28 3.335 1.838 -9.783 201 H ALA 29 H ALA 29 3.819 1.038 -5.898 202 HA ALA 29 HA ALA 29 4.806 2.792 -3.809 203 HB1 ALA 29 1HB ALA 29 4.115 0.117 -2.779 204 HB2 ALA 29 2HB ALA 29 4.055 1.692 -1.987 205 HB3 ALA 29 3HB ALA 29 2.759 1.205 -3.080 206 H LYS 30 H LYS 30 6.926 2.706 -4.119 207 HA LYS 30 HA LYS 30 8.153 0.109 -4.777 208 HB2 LYS 30 1HB LYS 30 8.905 2.924 -5.527 209 HB3 LYS 30 2HB LYS 30 10.076 1.614 -5.605 210 HG2 LYS 30 1HG LYS 30 9.030 0.596 -7.368 211 HG3 LYS 30 2HG LYS 30 7.450 1.269 -6.961 212 HD2 LYS 30 1HD LYS 30 9.632 3.126 -7.779 213 HD3 LYS 30 2HD LYS 30 8.826 2.166 -9.021 214 HE2 LYS 30 1HE LYS 30 6.646 3.029 -8.158 215 HE3 LYS 30 2HE LYS 30 7.552 4.101 -7.091 216 HZ1 LYS 30 1HZ LYS 30 6.911 5.266 -9.078 217 HZ2 LYS 30 2HZ LYS 30 7.636 4.095 -10.060 218 HZ3 LYS 30 3HZ LYS 30 8.592 5.078 -9.069 219 H VAL 31 H VAL 31 10.207 -0.383 -3.832 220 HA VAL 31 HA VAL 31 10.750 1.087 -1.335 221 HB VAL 31 HB VAL 31 10.913 -1.899 -1.770 222 HG11 VAL 31 1HG1 VAL 31 12.093 -0.124 0.247 223 HG12 VAL 31 2HG1 VAL 31 11.216 -1.508 0.903 224 HG13 VAL 31 3HG1 VAL 31 12.544 -1.761 -0.231 225 HG21 VAL 31 1HG2 VAL 31 8.740 -1.790 -1.246 226 HG22 VAL 31 2HG2 VAL 31 9.291 -1.440 0.392 227 HG23 VAL 31 3HG2 VAL 31 8.862 -0.119 -0.695 228 H LYS 32 H LYS 32 12.865 1.459 -0.804 229 HA LYS 32 HA LYS 32 14.775 1.324 -2.937 230 HB2 LYS 32 1HB LYS 32 14.529 3.155 -1.141 231 HB3 LYS 32 2HB LYS 32 15.407 2.055 -0.087 232 HG2 LYS 32 1HG LYS 32 17.081 3.404 -0.918 233 HG3 LYS 32 2HG LYS 32 17.156 2.003 -1.989 234 HD2 LYS 32 1HD LYS 32 15.429 3.458 -3.385 235 HD3 LYS 32 2HD LYS 32 16.241 4.777 -2.538 236 HE2 LYS 32 1HE LYS 32 18.395 3.438 -3.322 237 HE3 LYS 32 2HE LYS 32 17.287 2.886 -4.577 238 HZ1 LYS 32 1HZ LYS 32 18.630 5.344 -4.391 239 HZ2 LYS 32 2HZ LYS 32 16.967 5.643 -4.317 240 HZ3 LYS 32 3HZ LYS 32 17.615 4.791 -5.626 241 H ALA 33 H ALA 33 15.964 -0.392 -3.409 242 HA ALA 33 HA ALA 33 16.751 -2.204 -1.219 243 HB1 ALA 33 1HB ALA 33 16.907 -3.655 -3.600 244 HB2 ALA 33 2HB ALA 33 15.705 -3.825 -2.320 245 HB3 ALA 33 3HB ALA 33 15.387 -2.764 -3.692 246 H GLU 34 H GLU 34 18.822 -3.178 -1.360 247 HA GLU 34 HA GLU 34 20.684 -1.778 -3.166 248 HB2 GLU 34 1HB GLU 34 21.240 -2.748 -0.357 249 HB3 GLU 34 2HB GLU 34 22.383 -1.928 -1.412 250 HG2 GLU 34 1HG GLU 34 21.085 0.090 -1.341 251 HG3 GLU 34 2HG GLU 34 19.809 -0.717 -0.432 252 H ASP 35 H ASP 35 20.202 -4.745 -1.268 253 HA ASP 35 HA ASP 35 22.113 -6.165 -2.948 254 HB2 ASP 35 1HB ASP 35 20.768 -6.698 -0.345 255 HB3 ASP 35 2HB ASP 35 21.252 -8.088 -1.312 256 H LEU 36 H LEU 36 21.454 -8.416 -3.665 257 HA LEU 36 HA LEU 36 18.755 -8.284 -4.836 258 HB2 LEU 36 1HB LEU 36 21.126 -9.832 -5.864 259 HB3 LEU 36 2HB LEU 36 19.576 -9.602 -6.670 260 HG LEU 36 HG LEU 36 21.705 -7.521 -6.192 261 HD11 LEU 36 1HD1 LEU 36 22.187 -7.642 -8.426 262 HD12 LEU 36 2HD1 LEU 36 20.593 -8.265 -8.851 263 HD13 LEU 36 3HD1 LEU 36 21.781 -9.326 -8.096 264 HD21 LEU 36 1HD2 LEU 36 19.798 -6.465 -7.895 265 HD22 LEU 36 2HD2 LEU 36 20.053 -6.027 -6.205 266 HD23 LEU 36 3HD2 LEU 36 18.851 -7.246 -6.629 267 H LEU 37 H LEU 37 21.020 -10.238 -3.046 268 HA LEU 37 HA LEU 37 19.776 -12.732 -3.221 269 HB2 LEU 37 1HB LEU 37 21.471 -11.428 -1.121 270 HB3 LEU 37 2HB LEU 37 20.808 -13.043 -0.878 271 HG LEU 37 HG LEU 37 23.058 -13.270 -1.634 272 HD11 LEU 37 1HD1 LEU 37 21.270 -14.768 -2.595 273 HD12 LEU 37 2HD1 LEU 37 22.770 -14.669 -3.516 274 HD13 LEU 37 3HD1 LEU 37 21.346 -13.779 -4.053 275 HD21 LEU 37 1HD2 LEU 37 24.065 -12.044 -3.248 276 HD22 LEU 37 2HD2 LEU 37 22.794 -10.893 -2.836 277 HD23 LEU 37 3HD2 LEU 37 22.609 -11.947 -4.239 278 H ARG 38 H ARG 38 19.123 -9.974 -1.129 279 HA ARG 38 HA ARG 38 17.026 -11.430 0.273 280 HB2 ARG 38 1HB ARG 38 17.773 -8.526 0.608 281 HB3 ARG 38 2HB ARG 38 16.888 -9.546 1.734 282 HG2 ARG 38 1HG ARG 38 19.650 -10.346 0.988 283 HG3 ARG 38 2HG ARG 38 19.434 -8.981 2.085 284 HD2 ARG 38 1HD ARG 38 19.569 -10.759 3.551 285 HD3 ARG 38 2HD ARG 38 17.827 -10.586 3.345 286 HE ARG 38 HE ARG 38 18.511 -12.390 1.442 287 HH11 ARG 38 2HH1 ARG 38 19.069 -12.178 4.872 288 HH12 ARG 38 1HH1 ARG 38 19.095 -13.894 5.106 289 HH21 ARG 38 2HH2 ARG 38 18.543 -14.651 1.737 290 HH22 ARG 38 1HH2 ARG 38 18.797 -15.300 3.322 291 H LYS 39 H LYS 39 14.845 -10.720 0.335 292 HA LYS 39 HA LYS 39 14.007 -8.821 -1.723 293 HB2 LYS 39 1HB LYS 39 13.911 -10.944 -2.874 294 HB3 LYS 39 2HB LYS 39 13.035 -11.676 -1.536 295 HG2 LYS 39 1HG LYS 39 11.116 -10.271 -1.980 296 HG3 LYS 39 2HG LYS 39 11.996 -9.441 -3.266 297 HD2 LYS 39 1HD LYS 39 11.521 -12.411 -3.290 298 HD3 LYS 39 2HD LYS 39 10.371 -11.263 -3.979 299 HE2 LYS 39 1HE LYS 39 12.382 -10.357 -5.296 300 HE3 LYS 39 2HE LYS 39 13.184 -11.859 -4.839 301 HZ1 LYS 39 1HZ LYS 39 11.849 -11.694 -7.051 302 HZ2 LYS 39 2HZ LYS 39 10.515 -11.986 -6.054 303 HZ3 LYS 39 3HZ LYS 39 11.781 -13.106 -6.122 304 HA PRO 40 HA PRO 40 11.532 -7.738 1.841 305 HB2 PRO 40 1HB PRO 40 10.468 -5.497 0.736 306 HB3 PRO 40 2HB PRO 40 12.106 -5.558 1.398 307 HG2 PRO 40 1HG PRO 40 11.205 -5.761 -1.449 308 HG3 PRO 40 2HG PRO 40 12.570 -4.857 -0.770 309 HD2 PRO 40 1HD PRO 40 12.875 -7.250 -2.000 310 HD3 PRO 40 2HD PRO 40 13.916 -6.725 -0.661 311 H THR 41 H THR 41 9.225 -7.325 2.236 312 HA THR 41 HA THR 41 7.450 -8.297 0.107 313 HB THR 41 HB THR 41 7.335 -9.284 2.964 314 HG1 THR 41 1HG THR 41 8.737 -10.704 2.278 315 HG21 THR 41 1HG2 THR 41 5.299 -10.065 2.498 316 HG22 THR 41 2HG2 THR 41 5.883 -10.837 1.023 317 HG23 THR 41 3HG2 THR 41 5.348 -9.157 0.988 318 H ILE 42 H ILE 42 5.546 -7.247 -0.035 319 HA ILE 42 HA ILE 42 4.966 -5.238 2.039 320 HB ILE 42 HB ILE 42 5.465 -4.289 -0.177 321 HG12 ILE 42 1HG1 ILE 42 2.536 -3.984 0.507 322 HG13 ILE 42 2HG1 ILE 42 3.838 -3.221 1.413 323 HG21 ILE 42 1HG2 ILE 42 4.199 -6.437 -1.209 324 HG22 ILE 42 2HG2 ILE 42 2.936 -5.217 -1.359 325 HG23 ILE 42 3HG2 ILE 42 4.511 -4.952 -2.107 326 HD11 ILE 42 1HD1 ILE 42 2.763 -2.586 -1.271 327 HD12 ILE 42 2HD1 ILE 42 3.291 -1.514 0.027 328 HD13 ILE 42 3HD1 ILE 42 4.484 -2.324 -0.988 329 H LYS 43 H LYS 43 3.153 -5.433 3.177 330 HA LYS 43 HA LYS 43 1.065 -7.254 2.172 331 HB2 LYS 43 1HB LYS 43 2.354 -7.986 4.232 332 HB3 LYS 43 2HB LYS 43 1.611 -6.632 5.074 333 HG2 LYS 43 1HG LYS 43 0.197 -8.340 5.639 334 HG3 LYS 43 2HG LYS 43 -0.614 -7.688 4.213 335 HD2 LYS 43 1HD LYS 43 -0.628 -9.983 3.829 336 HD3 LYS 43 2HD LYS 43 0.770 -9.430 2.905 337 HE2 LYS 43 1HE LYS 43 2.178 -10.003 4.915 338 HE3 LYS 43 2HE LYS 43 0.749 -10.777 5.599 339 HZ1 LYS 43 1HZ LYS 43 0.726 -12.030 3.353 340 HZ2 LYS 43 2HZ LYS 43 1.801 -12.519 4.563 341 HZ3 LYS 43 3HZ LYS 43 2.355 -11.580 3.269 342 H TRP 44 H TRP 44 -0.778 -6.291 1.663 343 HA TRP 44 HA TRP 44 -1.307 -3.590 2.610 344 HB2 TRP 44 1HB TRP 44 -2.914 -5.254 0.661 345 HB3 TRP 44 2HB TRP 44 -3.040 -3.517 0.926 346 HD1 TRP 44 HD TRP 44 -0.483 -6.092 -0.430 347 HE1 TRP 44 1HE TRP 44 0.969 -4.914 -2.198 348 HE3 TRP 44 3HE TRP 44 -2.342 -1.351 0.022 349 HZ2 TRP 44 2HZ TRP 44 1.285 -2.318 -3.260 350 HZ3 TRP 44 3HZ TRP 44 -1.410 0.422 -1.407 351 HH2 TRP 44 HH TRP 44 0.366 -0.053 -3.013 352 H PHE 45 H PHE 45 -2.738 -3.083 4.143 353 HA PHE 45 HA PHE 45 -4.629 -5.165 5.021 354 HB2 PHE 45 1HB PHE 45 -2.884 -3.333 6.644 355 HB3 PHE 45 2HB PHE 45 -4.374 -3.984 7.319 356 HD1 PHE 45 1HD PHE 45 -4.635 -6.429 7.601 357 HD2 PHE 45 2HD PHE 45 -0.945 -4.670 6.412 358 HE1 PHE 45 1HE PHE 45 -3.454 -8.499 8.213 359 HE2 PHE 45 2HE PHE 45 0.240 -6.738 7.020 360 HZ PHE 45 HZ PHE 45 -1.014 -8.656 7.921 361 H LYS 46 H LYS 46 -6.674 -4.495 5.680 362 HA LYS 46 HA LYS 46 -7.338 -1.684 5.093 363 HB2 LYS 46 1HB LYS 46 -8.151 -3.169 3.312 364 HB3 LYS 46 2HB LYS 46 -9.016 -4.131 4.503 365 HG2 LYS 46 1HG LYS 46 -10.641 -2.759 3.540 366 HG3 LYS 46 2HG LYS 46 -10.267 -1.992 5.085 367 HD2 LYS 46 1HD LYS 46 -8.753 -0.437 3.923 368 HD3 LYS 46 2HD LYS 46 -9.182 -1.188 2.385 369 HE2 LYS 46 1HE LYS 46 -10.424 0.902 2.811 370 HE3 LYS 46 2HE LYS 46 -11.481 -0.499 2.643 371 HZ1 LYS 46 1HZ LYS 46 -11.718 -0.603 5.018 372 HZ2 LYS 46 2HZ LYS 46 -12.108 0.959 4.498 373 HZ3 LYS 46 3HZ LYS 46 -10.615 0.661 5.236 374 H GLY 47 H GLY 47 -9.113 -0.785 6.275 375 HA2 GLY 47 1HA GLY 47 -10.344 -0.404 8.174 376 HA3 GLY 47 2HA GLY 47 -10.520 -2.148 8.296 377 H LYS 48 H LYS 48 -9.939 -2.828 10.238 378 HA LYS 48 HA LYS 48 -7.736 -1.462 11.621 379 HB2 LYS 48 1HB LYS 48 -10.173 -2.914 12.527 380 HB3 LYS 48 2HB LYS 48 -8.747 -3.000 13.553 381 HG2 LYS 48 1HG LYS 48 -8.772 -0.382 13.192 382 HG3 LYS 48 2HG LYS 48 -10.486 -0.687 12.906 383 HD2 LYS 48 1HD LYS 48 -8.894 -1.397 15.367 384 HD3 LYS 48 2HD LYS 48 -10.168 -0.182 15.236 385 HE2 LYS 48 1HE LYS 48 -10.853 -2.959 14.458 386 HE3 LYS 48 2HE LYS 48 -10.604 -2.643 16.175 387 HZ1 LYS 48 1HZ LYS 48 -12.422 -1.020 14.489 388 HZ2 LYS 48 2HZ LYS 48 -12.319 -1.042 16.177 389 HZ3 LYS 48 3HZ LYS 48 -12.940 -2.381 15.350 390 H TRP 49 H TRP 49 -9.022 -4.745 11.098 391 HA TRP 49 HA TRP 49 -6.254 -5.727 11.054 392 HB2 TRP 49 1HB TRP 49 -8.397 -7.403 12.311 393 HB3 TRP 49 2HB TRP 49 -6.652 -7.461 12.548 394 HD1 TRP 49 HD TRP 49 -9.778 -5.619 13.742 395 HE1 TRP 49 1HE TRP 49 -9.195 -4.300 15.874 396 HE3 TRP 49 3HE TRP 49 -4.712 -6.309 13.765 397 HZ2 TRP 49 2HZ TRP 49 -6.893 -3.639 17.368 398 HZ3 TRP 49 3HZ TRP 49 -3.393 -5.300 15.580 399 HH2 TRP 49 HH TRP 49 -4.462 -3.992 17.343 400 H MET 50 H MET 50 -7.944 -5.108 8.855 401 HA MET 50 HA MET 50 -8.897 -7.675 7.858 402 HB2 MET 50 1HB MET 50 -9.974 -5.258 7.569 403 HB3 MET 50 2HB MET 50 -8.917 -5.225 6.164 404 HG2 MET 50 1HG MET 50 -10.918 -7.400 6.718 405 HG3 MET 50 2HG MET 50 -11.232 -5.995 5.702 406 HE1 MET 50 1HE MET 50 -11.548 -6.780 3.295 407 HE2 MET 50 2HE MET 50 -10.267 -5.573 3.400 408 HE3 MET 50 3HE MET 50 -10.067 -6.983 2.359 409 H ASP 51 H ASP 51 -7.767 -8.937 6.529 410 HA ASP 51 HA ASP 51 -5.245 -7.895 5.444 411 HB2 ASP 51 1HB ASP 51 -5.484 -10.041 6.958 412 HB3 ASP 51 2HB ASP 51 -5.931 -10.807 5.436 413 H LEU 52 H LEU 52 -5.461 -7.162 3.432 414 HA LEU 52 HA LEU 52 -7.479 -8.080 1.637 415 HB2 LEU 52 1HB LEU 52 -5.033 -6.488 0.916 416 HB3 LEU 52 2HB LEU 52 -6.579 -6.537 0.072 417 HG LEU 52 HG LEU 52 -6.189 -5.370 2.826 418 HD11 LEU 52 1HD1 LEU 52 -6.656 -3.223 1.368 419 HD12 LEU 52 2HD1 LEU 52 -5.897 -4.198 0.111 420 HD13 LEU 52 3HD1 LEU 52 -5.020 -3.842 1.599 421 HD21 LEU 52 1HD2 LEU 52 -8.491 -6.164 1.470 422 HD22 LEU 52 2HD2 LEU 52 -8.424 -4.413 1.274 423 HD23 LEU 52 3HD2 LEU 52 -8.397 -5.122 2.889 424 H ALA 53 H ALA 53 -4.165 -8.923 2.244 425 HA ALA 53 HA ALA 53 -3.290 -10.049 -0.078 426 HB1 ALA 53 1HB ALA 53 -2.387 -10.045 2.466 427 HB2 ALA 53 2HB ALA 53 -2.836 -11.742 2.285 428 HB3 ALA 53 3HB ALA 53 -1.682 -11.011 1.170 429 H SER 54 H SER 54 -5.130 -11.820 2.418 430 HA SER 54 HA SER 54 -5.526 -14.106 0.780 431 HB2 SER 54 1HB SER 54 -7.404 -13.521 3.021 432 HB3 SER 54 2HB SER 54 -6.599 -15.030 2.594 433 HG SER 54 HG SER 54 -4.617 -13.677 3.244 434 H LYS 55 H LYS 55 -7.237 -11.120 1.207 435 HA LYS 55 HA LYS 55 -9.725 -11.975 0.110 436 HB2 LYS 55 1HB LYS 55 -8.584 -9.180 0.278 437 HB3 LYS 55 2HB LYS 55 -10.269 -9.597 0.000 438 HG2 LYS 55 1HG LYS 55 -8.880 -10.543 2.469 439 HG3 LYS 55 2HG LYS 55 -9.496 -8.892 2.366 440 HD2 LYS 55 1HD LYS 55 -11.676 -10.115 1.537 441 HD3 LYS 55 2HD LYS 55 -10.976 -11.479 2.411 442 HE2 LYS 55 1HE LYS 55 -10.733 -9.928 4.387 443 HE3 LYS 55 2HE LYS 55 -11.713 -8.767 3.493 444 HZ1 LYS 55 1HZ LYS 55 -13.145 -11.073 3.347 445 HZ2 LYS 55 2HZ LYS 55 -13.444 -9.792 4.409 446 HZ3 LYS 55 3HZ LYS 55 -12.522 -11.115 4.919 447 H ALA 56 H ALA 56 -6.731 -10.790 -1.221 448 HA ALA 56 HA ALA 56 -7.602 -9.969 -3.748 449 HB1 ALA 56 1HB ALA 56 -5.098 -10.476 -2.453 450 HB2 ALA 56 2HB ALA 56 -5.070 -11.140 -4.087 451 HB3 ALA 56 3HB ALA 56 -5.450 -9.436 -3.834 452 H GLY 57 H GLY 57 -8.818 -11.155 -5.077 453 HA2 GLY 57 1HA GLY 57 -7.847 -13.806 -5.845 454 HA3 GLY 57 2HA GLY 57 -9.484 -13.701 -5.215 455 H LYS 58 H LYS 58 -10.931 -12.117 -6.345 456 HA LYS 58 HA LYS 58 -10.344 -12.116 -9.234 457 HB2 LYS 58 1HB LYS 58 -13.162 -11.995 -8.303 458 HB3 LYS 58 2HB LYS 58 -12.479 -12.778 -9.722 459 HG2 LYS 58 1HG LYS 58 -11.413 -14.358 -7.889 460 HG3 LYS 58 2HG LYS 58 -12.805 -13.800 -6.957 461 HD2 LYS 58 1HD LYS 58 -13.052 -14.906 -9.745 462 HD3 LYS 58 2HD LYS 58 -13.124 -15.925 -8.306 463 HE2 LYS 58 1HE LYS 58 -15.105 -14.948 -7.566 464 HE3 LYS 58 2HE LYS 58 -14.884 -13.515 -8.568 465 HZ1 LYS 58 1HZ LYS 58 -16.032 -14.463 -10.187 466 HZ2 LYS 58 2HZ LYS 58 -16.372 -15.768 -9.167 467 HZ3 LYS 58 3HZ LYS 58 -15.027 -15.824 -10.192 468 H HIS 59 H HIS 59 -12.403 -10.465 -6.830 469 HA HIS 59 HA HIS 59 -12.764 -8.133 -8.381 470 HB2 HIS 59 1HB HIS 59 -13.059 -8.648 -5.421 471 HB3 HIS 59 2HB HIS 59 -13.477 -7.113 -6.176 472 HD1 HIS 59 1HD HIS 59 -15.205 -7.606 -8.397 473 HD2 HIS 59 2HD HIS 59 -15.244 -10.194 -5.147 474 HE1 HIS 59 1HE HIS 59 -17.416 -8.798 -8.514 475 HE2 HIS 59 2HE HIS 59 -17.453 -10.296 -6.490 476 H LEU 60 H LEU 60 -10.351 -9.085 -6.020 477 HA LEU 60 HA LEU 60 -8.936 -6.550 -6.527 478 HB2 LEU 60 1HB LEU 60 -9.515 -6.513 -4.257 479 HB3 LEU 60 2HB LEU 60 -9.149 -8.224 -4.048 480 HG LEU 60 HG LEU 60 -6.697 -7.363 -4.638 481 HD11 LEU 60 1HD1 LEU 60 -6.765 -5.147 -3.054 482 HD12 LEU 60 2HD1 LEU 60 -8.233 -4.953 -4.012 483 HD13 LEU 60 3HD1 LEU 60 -6.674 -5.133 -4.816 484 HD21 LEU 60 1HD2 LEU 60 -7.362 -6.746 -1.859 485 HD22 LEU 60 2HD2 LEU 60 -6.263 -7.955 -2.523 486 HD23 LEU 60 3HD2 LEU 60 -7.991 -8.296 -2.418 487 H GLN 61 H GLN 61 -6.721 -6.625 -6.895 488 HA GLN 61 HA GLN 61 -5.378 -9.203 -6.936 489 HB2 GLN 61 1HB GLN 61 -5.713 -7.513 -9.419 490 HB3 GLN 61 2HB GLN 61 -4.631 -8.893 -9.283 491 HG2 GLN 61 1HG GLN 61 -7.538 -9.218 -8.699 492 HG3 GLN 61 2HG GLN 61 -6.969 -9.174 -10.367 493 HE21 GLN 61 1HE2 GLN 61 -7.060 -10.964 -7.416 494 HE22 GLN 61 2HE2 GLN 61 -6.376 -12.425 -8.033 495 H LEU 62 H LEU 62 -3.376 -8.973 -6.195 496 HA LEU 62 HA LEU 62 -2.241 -6.283 -6.033 497 HB2 LEU 62 1HB LEU 62 -1.180 -8.797 -4.769 498 HB3 LEU 62 2HB LEU 62 -0.787 -7.131 -4.353 499 HG LEU 62 HG LEU 62 -3.485 -8.411 -3.925 500 HD11 LEU 62 1HD1 LEU 62 -2.054 -7.709 -1.534 501 HD12 LEU 62 2HD1 LEU 62 -1.118 -8.847 -2.502 502 HD13 LEU 62 3HD1 LEU 62 -2.760 -9.255 -2.006 503 HD21 LEU 62 1HD2 LEU 62 -3.707 -6.050 -4.160 504 HD22 LEU 62 2HD2 LEU 62 -2.309 -5.754 -3.127 505 HD23 LEU 62 3HD2 LEU 62 -3.790 -6.420 -2.437 506 H LYS 63 H LYS 63 -0.033 -5.884 -6.593 507 HA LYS 63 HA LYS 63 1.114 -7.805 -8.503 508 HB2 LYS 63 1HB LYS 63 -0.084 -5.588 -9.387 509 HB3 LYS 63 2HB LYS 63 1.489 -4.897 -9.012 510 HG2 LYS 63 1HG LYS 63 2.585 -6.313 -10.551 511 HG3 LYS 63 2HG LYS 63 1.157 -7.333 -10.738 512 HD2 LYS 63 1HD LYS 63 1.254 -5.976 -12.673 513 HD3 LYS 63 2HD LYS 63 -0.019 -5.291 -11.660 514 HE2 LYS 63 1HE LYS 63 1.221 -3.445 -12.415 515 HE3 LYS 63 2HE LYS 63 1.765 -3.716 -10.760 516 HZ1 LYS 63 1HZ LYS 63 3.438 -5.241 -12.287 517 HZ2 LYS 63 2HZ LYS 63 3.807 -3.741 -11.598 518 HZ3 LYS 63 3HZ LYS 63 3.252 -3.825 -13.194 519 H GLU 64 H GLU 64 3.370 -7.859 -8.628 520 HA GLU 64 HA GLU 64 4.938 -6.095 -6.948 521 HB2 GLU 64 1HB GLU 64 4.551 -7.585 -5.220 522 HB3 GLU 64 2HB GLU 64 4.446 -8.970 -6.298 523 HG2 GLU 64 1HG GLU 64 6.804 -9.052 -6.560 524 HG3 GLU 64 2HG GLU 64 7.008 -7.501 -5.748 525 H THR 65 H THR 65 6.881 -5.731 -7.822 526 HA THR 65 HA THR 65 8.128 -7.733 -9.531 527 HB THR 65 HB THR 65 6.680 -6.316 -11.021 528 HG1 THR 65 1HG THR 65 8.305 -6.154 -12.567 529 HG21 THR 65 1HG2 THR 65 7.651 -4.041 -11.555 530 HG22 THR 65 2HG2 THR 65 8.576 -4.180 -10.061 531 HG23 THR 65 3HG2 THR 65 6.814 -4.171 -10.009 532 H PHE 66 H PHE 66 10.342 -7.014 -10.231 533 HA PHE 66 HA PHE 66 11.540 -5.074 -8.387 534 HB2 PHE 66 1HB PHE 66 11.959 -7.147 -7.284 535 HB3 PHE 66 2HB PHE 66 12.419 -7.932 -8.791 536 HD1 PHE 66 1HD PHE 66 13.449 -5.321 -6.374 537 HD2 PHE 66 2HD PHE 66 14.642 -7.941 -9.510 538 HE1 PHE 66 1HE PHE 66 15.805 -4.765 -5.937 539 HE2 PHE 66 2HE PHE 66 17.000 -7.390 -9.077 540 HZ PHE 66 HZ PHE 66 17.585 -5.801 -7.288 541 H GLU 67 H GLU 67 13.372 -4.027 -9.152 542 HA GLU 67 HA GLU 67 14.144 -4.631 -11.928 543 HB2 GLU 67 1HB GLU 67 13.238 -2.065 -10.726 544 HB3 GLU 67 2HB GLU 67 14.541 -1.990 -11.905 545 HG2 GLU 67 1HG GLU 67 13.097 -3.231 -13.496 546 HG3 GLU 67 2HG GLU 67 11.786 -3.122 -12.324 547 H ARG 68 H ARG 68 16.108 -5.522 -11.608 548 HA ARG 68 HA ARG 68 17.930 -4.776 -9.594 549 HB2 ARG 68 1HB ARG 68 19.587 -5.933 -11.297 550 HB3 ARG 68 2HB ARG 68 18.406 -6.872 -10.394 551 HG2 ARG 68 1HG ARG 68 17.569 -5.814 -13.030 552 HG3 ARG 68 2HG ARG 68 18.743 -7.132 -13.013 553 HD2 ARG 68 1HD ARG 68 16.341 -7.378 -11.281 554 HD3 ARG 68 2HD ARG 68 16.128 -7.573 -13.021 555 HE ARG 68 HE ARG 68 18.271 -9.166 -12.323 556 HH11 ARG 68 2HH1 ARG 68 14.893 -8.940 -11.515 557 HH12 ARG 68 1HH1 ARG 68 14.720 -10.635 -11.203 558 HH21 ARG 68 2HH2 ARG 68 18.056 -11.400 -11.915 559 HH22 ARG 68 1HH2 ARG 68 16.520 -12.034 -11.430 560 H HIS 69 H HIS 69 17.286 -3.502 -12.753 561 HA HIS 69 HA HIS 69 19.647 -2.255 -13.427 562 HB2 HIS 69 1HB HIS 69 16.936 -0.966 -13.752 563 HB3 HIS 69 2HB HIS 69 18.358 -0.752 -14.769 564 HD1 HIS 69 1HD HIS 69 15.454 -2.990 -14.199 565 HD2 HIS 69 2HD HIS 69 18.872 -2.890 -16.559 566 HE1 HIS 69 1HE HIS 69 15.111 -4.759 -15.954 567 HE2 HIS 69 2HE HIS 69 17.229 -4.738 -17.318 568 H SER 70 H SER 70 17.188 -1.204 -11.126 569 HA SER 70 HA SER 70 19.016 0.943 -10.265 570 HB2 SER 70 1HB SER 70 16.744 1.593 -11.320 571 HB3 SER 70 2HB SER 70 16.042 1.022 -9.807 572 HG SER 70 HG SER 70 18.024 3.038 -10.074 573 H ARG 71 H ARG 71 17.844 -2.006 -9.451 574 HA ARG 71 HA ARG 71 17.760 -3.225 -7.533 575 HB2 ARG 71 1HB ARG 71 19.372 -0.916 -6.433 576 HB3 ARG 71 2HB ARG 71 19.168 -2.476 -5.648 577 HG2 ARG 71 1HG ARG 71 20.120 -3.347 -7.960 578 HG3 ARG 71 2HG ARG 71 20.820 -1.728 -7.991 579 HD2 ARG 71 1HD ARG 71 21.466 -2.374 -5.500 580 HD3 ARG 71 2HD ARG 71 21.360 -4.005 -6.162 581 HE ARG 71 HE ARG 71 23.255 -3.601 -7.409 582 HH11 ARG 71 2HH1 ARG 71 22.115 -0.637 -5.982 583 HH12 ARG 71 1HH1 ARG 71 23.541 0.259 -6.386 584 HH21 ARG 71 2HH2 ARG 71 25.138 -2.432 -7.947 585 HH22 ARG 71 1HH2 ARG 71 25.260 -0.763 -7.504 586 H VAL 72 H VAL 72 15.498 -1.774 -8.044 587 HA VAL 72 HA VAL 72 14.571 -1.168 -5.325 588 HB VAL 72 HB VAL 72 13.936 0.501 -7.763 589 HG11 VAL 72 1HG1 VAL 72 13.088 1.353 -5.066 590 HG12 VAL 72 2HG1 VAL 72 12.283 1.544 -6.624 591 HG13 VAL 72 3HG1 VAL 72 12.205 0.001 -5.774 592 HG21 VAL 72 1HG2 VAL 72 15.115 2.280 -6.667 593 HG22 VAL 72 2HG2 VAL 72 15.371 1.289 -5.230 594 HG23 VAL 72 3HG2 VAL 72 16.177 0.874 -6.743 595 H TYR 73 H TYR 73 12.602 -1.975 -4.827 596 HA TYR 73 HA TYR 73 11.339 -3.692 -6.807 597 HB2 TYR 73 1HB TYR 73 10.909 -3.338 -3.838 598 HB3 TYR 73 2HB TYR 73 9.937 -4.416 -4.835 599 HD1 TYR 73 2HD TYR 73 13.440 -3.743 -3.779 600 HD2 TYR 73 1HD TYR 73 10.657 -6.600 -5.259 601 HE1 TYR 73 2HE TYR 73 15.112 -5.521 -3.474 602 HE2 TYR 73 1HE TYR 73 12.321 -8.386 -4.957 603 HH TYR 73 HH TYR 73 14.465 -8.846 -4.495 604 H THR 74 H THR 74 9.207 -3.530 -7.470 605 HA THR 74 HA THR 74 7.836 -1.010 -6.796 606 HB THR 74 HB THR 74 7.798 -2.357 -9.502 607 HG1 THR 74 1HG THR 74 9.797 -1.138 -8.647 608 HG21 THR 74 1HG2 THR 74 7.000 0.462 -9.178 609 HG22 THR 74 2HG2 THR 74 5.911 -0.723 -8.455 610 HG23 THR 74 3HG2 THR 74 6.294 -0.809 -10.174 611 H PHE 75 H PHE 75 6.244 -1.671 -5.470 612 HA PHE 75 HA PHE 75 4.654 -4.016 -6.245 613 HB2 PHE 75 1HB PHE 75 4.553 -2.569 -3.599 614 HB3 PHE 75 2HB PHE 75 3.944 -4.177 -3.973 615 HD1 PHE 75 1HD PHE 75 6.125 -5.471 -5.327 616 HD2 PHE 75 2HD PHE 75 6.220 -2.780 -2.031 617 HE1 PHE 75 1HE PHE 75 8.259 -6.452 -4.593 618 HE2 PHE 75 2HE PHE 75 8.355 -3.755 -1.292 619 HZ PHE 75 HZ PHE 75 9.377 -5.593 -2.573 620 H GLU 76 H GLU 76 2.507 -3.873 -6.679 621 HA GLU 76 HA GLU 76 1.230 -1.237 -6.412 622 HB2 GLU 76 1HB GLU 76 0.831 -3.038 -8.798 623 HB3 GLU 76 2HB GLU 76 0.273 -1.383 -8.594 624 HG2 GLU 76 1HG GLU 76 2.073 -1.078 -9.968 625 HG3 GLU 76 2HG GLU 76 2.814 -0.849 -8.386 626 H MET 77 H MET 77 -1.182 -1.377 -6.634 627 HA MET 77 HA MET 77 -2.242 -3.966 -5.743 628 HB2 MET 77 1HB MET 77 -1.872 -2.566 -3.751 629 HB3 MET 77 2HB MET 77 -2.870 -1.302 -4.456 630 HG2 MET 77 1HG MET 77 -4.826 -2.522 -4.191 631 HG3 MET 77 2HG MET 77 -3.964 -4.050 -4.027 632 HE1 MET 77 1HE MET 77 -5.544 -1.030 -2.133 633 HE2 MET 77 2HE MET 77 -4.425 -0.818 -0.786 634 HE3 MET 77 3HE MET 77 -3.891 -0.494 -2.436 635 H GLN 78 H GLN 78 -3.351 -4.409 -7.592 636 HA GLN 78 HA GLN 78 -5.016 -2.388 -8.834 637 HB2 GLN 78 1HB GLN 78 -3.633 -4.474 -9.863 638 HB3 GLN 78 2HB GLN 78 -5.229 -5.199 -9.722 639 HG2 GLN 78 1HG GLN 78 -6.162 -3.326 -11.024 640 HG3 GLN 78 2HG GLN 78 -4.531 -2.687 -11.223 641 HE21 GLN 78 1HE2 GLN 78 -2.981 -4.638 -11.908 642 HE22 GLN 78 2HE2 GLN 78 -3.531 -5.478 -13.314 643 H ILE 79 H ILE 79 -6.947 -1.954 -8.010 644 HA ILE 79 HA ILE 79 -8.462 -4.119 -6.720 645 HB ILE 79 HB ILE 79 -8.803 -1.128 -6.474 646 HG12 ILE 79 1HG1 ILE 79 -7.419 -3.208 -4.841 647 HG13 ILE 79 2HG1 ILE 79 -6.939 -1.549 -5.182 648 HG21 ILE 79 1HG2 ILE 79 -10.235 -3.350 -5.022 649 HG22 ILE 79 2HG2 ILE 79 -10.449 -1.621 -4.756 650 HG23 ILE 79 3HG2 ILE 79 -10.928 -2.342 -6.292 651 HD11 ILE 79 1HD1 ILE 79 -8.915 -2.547 -3.167 652 HD12 ILE 79 2HD1 ILE 79 -7.467 -1.572 -2.912 653 HD13 ILE 79 3HD1 ILE 79 -8.883 -0.863 -3.689 654 H ILE 80 H ILE 80 -9.874 -5.053 -8.042 655 HA ILE 80 HA ILE 80 -11.162 -3.464 -10.139 656 HB ILE 80 HB ILE 80 -11.455 -6.436 -9.802 657 HG12 ILE 80 1HG1 ILE 80 -9.549 -6.198 -11.729 658 HG13 ILE 80 2HG1 ILE 80 -9.080 -4.895 -10.643 659 HG21 ILE 80 1HG2 ILE 80 -11.302 -5.648 -12.493 660 HG22 ILE 80 2HG2 ILE 80 -12.725 -6.188 -11.604 661 HG23 ILE 80 3HG2 ILE 80 -12.338 -4.470 -11.688 662 HD11 ILE 80 1HD1 ILE 80 -9.494 -7.754 -9.807 663 HD12 ILE 80 2HD1 ILE 80 -7.932 -7.019 -10.172 664 HD13 ILE 80 3HD1 ILE 80 -8.885 -6.435 -8.808 665 H LYS 81 H LYS 81 -13.349 -3.186 -10.281 666 HA LYS 81 HA LYS 81 -15.480 -2.907 -9.535 667 HB2 LYS 81 1HB LYS 81 -15.069 -5.622 -8.272 668 HB3 LYS 81 2HB LYS 81 -16.609 -4.872 -8.668 669 HG2 LYS 81 1HG LYS 81 -15.589 -4.838 -11.094 670 HG3 LYS 81 2HG LYS 81 -14.607 -6.156 -10.449 671 HD2 LYS 81 1HD LYS 81 -16.891 -7.086 -9.614 672 HD3 LYS 81 2HD LYS 81 -17.571 -6.009 -10.836 673 HE2 LYS 81 1HE LYS 81 -15.338 -7.849 -11.572 674 HE3 LYS 81 2HE LYS 81 -16.975 -8.489 -11.429 675 HZ1 LYS 81 1HZ LYS 81 -17.334 -6.267 -12.917 676 HZ2 LYS 81 2HZ LYS 81 -17.180 -7.833 -13.537 677 HZ3 LYS 81 3HZ LYS 81 -15.832 -6.813 -13.472 678 H ALA 82 H ALA 82 -13.655 -1.598 -7.987 679 HA ALA 82 HA ALA 82 -13.543 -2.081 -5.282 680 HB1 ALA 82 1HB ALA 82 -13.911 0.676 -6.425 681 HB2 ALA 82 2HB ALA 82 -13.014 0.202 -4.982 682 HB3 ALA 82 3HB ALA 82 -12.408 -0.234 -6.580 683 H LYS 83 H LYS 83 -15.124 -2.494 -3.895 684 HA LYS 83 HA LYS 83 -17.790 -1.400 -4.346 685 HB2 LYS 83 1HB LYS 83 -16.993 -3.266 -2.122 686 HB3 LYS 83 2HB LYS 83 -18.587 -3.026 -2.826 687 HG2 LYS 83 1HG LYS 83 -17.989 -4.181 -4.803 688 HG3 LYS 83 2HG LYS 83 -16.279 -4.184 -4.363 689 HD2 LYS 83 1HD LYS 83 -16.948 -5.551 -2.335 690 HD3 LYS 83 2HD LYS 83 -18.528 -5.737 -3.101 691 HE2 LYS 83 1HE LYS 83 -16.068 -6.382 -4.660 692 HE3 LYS 83 2HE LYS 83 -16.640 -7.528 -3.448 693 HZ1 LYS 83 1HZ LYS 83 -17.640 -7.046 -6.050 694 HZ2 LYS 83 2HZ LYS 83 -18.860 -6.774 -4.912 695 HZ3 LYS 83 3HZ LYS 83 -18.063 -8.266 -4.957 696 H ASP 84 H ASP 84 -19.010 -0.652 -2.373 697 HA ASP 84 HA ASP 84 -17.828 1.624 -1.295 698 HB2 ASP 84 1HB ASP 84 -19.821 1.975 -0.200 699 HB3 ASP 84 2HB ASP 84 -20.342 0.814 -1.418 700 H ASN 85 H ASN 85 -17.645 -1.666 -0.281 701 HA ASN 85 HA ASN 85 -16.899 -1.162 2.431 702 HB2 ASN 85 1HB ASN 85 -16.677 -3.588 0.650 703 HB3 ASN 85 2HB ASN 85 -16.105 -3.581 2.316 704 HD21 ASN 85 1HD2 ASN 85 -17.585 -5.165 2.906 705 HD22 ASN 85 2HD2 ASN 85 -19.268 -4.823 3.090 706 H PHE 86 H PHE 86 -15.271 -1.000 -0.563 707 HA PHE 86 HA PHE 86 -12.630 -1.510 0.443 708 HB2 PHE 86 1HB PHE 86 -13.654 -0.355 -2.151 709 HB3 PHE 86 2HB PHE 86 -11.939 -0.540 -1.799 710 HD1 PHE 86 2HD PHE 86 -14.939 -2.710 -1.320 711 HD2 PHE 86 1HD PHE 86 -11.033 -2.291 -2.959 712 HE1 PHE 86 2HE PHE 86 -15.030 -5.034 -2.122 713 HE2 PHE 86 1HE PHE 86 -11.119 -4.615 -3.764 714 HZ PHE 86 HZ PHE 86 -13.119 -5.989 -3.345 715 H ALA 87 H ALA 87 -14.759 1.125 0.523 716 HA ALA 87 HA ALA 87 -12.729 3.181 0.600 717 HB1 ALA 87 1HB ALA 87 -15.171 4.165 1.626 718 HB2 ALA 87 2HB ALA 87 -14.458 4.450 0.038 719 HB3 ALA 87 3HB ALA 87 -15.559 3.094 0.279 720 H GLY 88 H GLY 88 -11.889 4.168 2.376 721 HA2 GLY 88 1HA GLY 88 -12.724 4.499 4.886 722 HA3 GLY 88 2HA GLY 88 -12.276 2.800 4.917 723 H ASN 89 H ASN 89 -10.335 2.465 5.745 724 HA ASN 89 HA ASN 89 -8.196 4.392 5.131 725 HB2 ASN 89 1HB ASN 89 -8.935 4.749 7.438 726 HB3 ASN 89 2HB ASN 89 -8.698 3.040 7.793 727 HD21 ASN 89 1HD2 ASN 89 -6.828 5.644 6.261 728 HD22 ASN 89 2HD2 ASN 89 -5.376 5.352 7.152 729 H TYR 90 H TYR 90 -6.538 3.472 4.134 730 HA TYR 90 HA TYR 90 -6.261 0.560 4.229 731 HB2 TYR 90 1HB TYR 90 -5.428 2.688 2.307 732 HB3 TYR 90 2HB TYR 90 -4.494 1.197 2.362 733 HD1 TYR 90 2HD TYR 90 -7.876 2.580 1.769 734 HD2 TYR 90 1HD TYR 90 -5.313 -0.793 1.374 735 HE1 TYR 90 2HE TYR 90 -9.539 1.493 0.319 736 HE2 TYR 90 1HE TYR 90 -6.968 -1.889 -0.078 737 HH TYR 90 HH TYR 90 -10.138 -0.458 -0.654 738 H ARG 91 H ARG 91 -3.945 -0.256 4.123 739 HA ARG 91 HA ARG 91 -2.023 1.371 5.576 740 HB2 ARG 91 1HB ARG 91 -3.567 0.019 7.188 741 HB3 ARG 91 2HB ARG 91 -2.608 -1.360 6.667 742 HG2 ARG 91 1HG ARG 91 -0.583 -0.284 7.457 743 HG3 ARG 91 2HG ARG 91 -1.508 1.144 7.925 744 HD2 ARG 91 1HD ARG 91 -2.797 -0.235 9.503 745 HD3 ARG 91 2HD ARG 91 -1.823 -1.635 9.055 746 HE ARG 91 HE ARG 91 -0.078 -0.799 10.312 747 HH11 ARG 91 2HH1 ARG 91 -2.604 1.580 10.034 748 HH12 ARG 91 1HH1 ARG 91 -1.933 2.625 11.243 749 HH21 ARG 91 2HH2 ARG 91 0.816 0.567 11.905 750 HH22 ARG 91 1HH2 ARG 91 0.013 2.048 12.306 751 H CYS 92 H CYS 92 0.124 0.443 5.596 752 HA CYS 92 HA CYS 92 0.557 -1.823 3.804 753 HB2 CYS 92 1HB CYS 92 0.778 -0.134 2.201 754 HB3 CYS 92 2HB CYS 92 1.524 0.981 3.340 755 HG CYS 92 HG CYS 92 3.501 -1.590 3.108 756 H GLU 93 H GLU 93 2.449 -2.952 4.178 757 HA GLU 93 HA GLU 93 4.297 -1.933 6.199 758 HB2 GLU 93 1HB GLU 93 2.595 -4.385 6.462 759 HB3 GLU 93 2HB GLU 93 4.189 -4.348 7.202 760 HG2 GLU 93 1HG GLU 93 2.548 -3.723 8.829 761 HG3 GLU 93 2HG GLU 93 3.536 -2.317 8.437 762 H VAL 94 H VAL 94 6.269 -2.125 5.395 763 HA VAL 94 HA VAL 94 6.902 -4.488 3.751 764 HB VAL 94 HB VAL 94 6.753 -2.564 2.278 765 HG11 VAL 94 1HG1 VAL 94 9.041 -1.115 3.381 766 HG12 VAL 94 2HG1 VAL 94 7.506 -0.509 2.755 767 HG13 VAL 94 3HG1 VAL 94 7.614 -1.095 4.416 768 HG21 VAL 94 1HG2 VAL 94 8.429 -3.483 1.150 769 HG22 VAL 94 2HG2 VAL 94 9.584 -2.567 2.118 770 HG23 VAL 94 3HG2 VAL 94 9.071 -4.171 2.642 771 H THR 95 H THR 95 8.596 -5.636 4.417 772 HA THR 95 HA THR 95 10.375 -4.435 6.436 773 HB THR 95 HB THR 95 10.880 -6.851 7.051 774 HG1 THR 95 1HG THR 95 10.034 -8.221 5.666 775 HG21 THR 95 1HG2 THR 95 8.101 -5.740 7.445 776 HG22 THR 95 2HG2 THR 95 9.502 -5.508 8.492 777 HG23 THR 95 3HG2 THR 95 8.763 -7.102 8.349 778 H TYR 96 H TYR 96 12.564 -5.687 6.502 779 HA TYR 96 HA TYR 96 13.590 -6.729 4.067 780 HB2 TYR 96 1HB TYR 96 13.341 -4.197 3.639 781 HB3 TYR 96 2HB TYR 96 14.695 -4.013 4.747 782 HD1 TYR 96 2HD TYR 96 14.083 -6.603 2.136 783 HD2 TYR 96 1HD TYR 96 16.491 -3.342 3.431 784 HE1 TYR 96 2HE TYR 96 15.648 -7.033 0.289 785 HE2 TYR 96 1HE TYR 96 18.063 -3.763 1.586 786 HH TYR 96 HH TYR 96 18.203 -6.540 -0.113 787 H LYS 97 H LYS 97 16.177 -6.506 4.203 788 HA LYS 97 HA LYS 97 17.199 -8.156 5.996 789 HB2 LYS 97 1HB LYS 97 18.519 -5.551 5.212 790 HB3 LYS 97 2HB LYS 97 19.353 -6.933 5.911 791 HG2 LYS 97 1HG LYS 97 19.229 -8.161 3.990 792 HG3 LYS 97 2HG LYS 97 17.764 -7.348 3.434 793 HD2 LYS 97 1HD LYS 97 19.267 -6.404 2.003 794 HD3 LYS 97 2HD LYS 97 19.409 -5.267 3.345 795 HE2 LYS 97 1HE LYS 97 21.353 -6.496 4.178 796 HE3 LYS 97 2HE LYS 97 21.205 -7.639 2.844 797 HZ1 LYS 97 1HZ LYS 97 21.475 -4.767 2.271 798 HZ2 LYS 97 2HZ LYS 97 21.921 -6.095 1.322 799 HZ3 LYS 97 3HZ LYS 97 22.851 -5.668 2.670 800 H ASP 98 H ASP 98 17.708 -4.721 6.742 801 HA ASP 98 HA ASP 98 16.868 -5.242 9.508 802 HB2 ASP 98 1HB ASP 98 19.307 -3.590 8.874 803 HB3 ASP 98 2HB ASP 98 18.792 -4.220 10.436 804 H LYS 99 H LYS 99 15.600 -3.887 7.229 805 HA LYS 99 HA LYS 99 15.122 -1.316 8.549 806 HB2 LYS 99 1HB LYS 99 14.872 -0.444 6.065 807 HB3 LYS 99 2HB LYS 99 16.429 -0.439 6.882 808 HG2 LYS 99 1HG LYS 99 16.624 -2.833 5.803 809 HG3 LYS 99 2HG LYS 99 15.449 -2.162 4.669 810 HD2 LYS 99 1HD LYS 99 17.434 -1.596 3.648 811 HD3 LYS 99 2HD LYS 99 17.112 -0.144 4.598 812 HE2 LYS 99 1HE LYS 99 18.758 -0.628 6.139 813 HE3 LYS 99 2HE LYS 99 18.715 -2.357 5.798 814 HZ1 LYS 99 1HZ LYS 99 19.531 -1.408 3.452 815 HZ2 LYS 99 2HZ LYS 99 20.591 -1.880 4.682 816 HZ3 LYS 99 3HZ LYS 99 20.206 -0.245 4.479 817 H PHE 100 H PHE 100 13.021 -0.881 8.780 818 HA PHE 100 HA PHE 100 11.082 -2.011 6.917 819 HB2 PHE 100 1HB PHE 100 10.857 -3.733 8.432 820 HB3 PHE 100 2HB PHE 100 11.322 -2.730 9.802 821 HD1 PHE 100 2HD PHE 100 9.694 -1.360 10.952 822 HD2 PHE 100 1HD PHE 100 8.577 -3.794 7.644 823 HE1 PHE 100 2HE PHE 100 7.324 -1.085 11.554 824 HE2 PHE 100 1HE PHE 100 6.205 -3.521 8.240 825 HZ PHE 100 HZ PHE 100 5.576 -2.166 10.198 826 H ASP 101 H ASP 101 9.240 -0.803 6.686 827 HA ASP 101 HA ASP 101 8.719 1.393 8.525 828 HB2 ASP 101 1HB ASP 101 9.039 3.136 7.053 829 HB3 ASP 101 2HB ASP 101 10.323 2.048 6.532 830 H SER 102 H SER 102 6.597 2.058 8.549 831 HA SER 102 HA SER 102 4.770 0.595 6.756 832 HB2 SER 102 1HB SER 102 3.217 0.324 8.532 833 HB3 SER 102 2HB SER 102 4.786 -0.102 9.213 834 HG SER 102 HG SER 102 4.717 1.603 10.470 835 H CYS 103 H CYS 103 2.808 1.659 6.175 836 HA CYS 103 HA CYS 103 2.500 4.467 6.803 837 HB2 CYS 103 1HB CYS 103 4.149 4.254 4.844 838 HB3 CYS 103 2HB CYS 103 2.767 3.717 3.898 839 HG CYS 103 HG CYS 103 1.536 6.311 5.089 840 H SER 104 H SER 104 0.433 5.234 6.432 841 HA SER 104 HA SER 104 -1.496 3.286 5.353 842 HB2 SER 104 1HB SER 104 -3.092 3.915 7.066 843 HB3 SER 104 2HB SER 104 -1.588 3.422 7.844 844 HG SER 104 HG SER 104 -1.267 5.940 7.513 845 H PHE 105 H PHE 105 -3.392 4.169 4.389 846 HA PHE 105 HA PHE 105 -3.334 7.038 3.806 847 HB2 PHE 105 1HB PHE 105 -3.994 6.274 1.372 848 HB3 PHE 105 2HB PHE 105 -2.303 6.389 1.846 849 HD1 PHE 105 1HD PHE 105 -1.195 4.229 2.715 850 HD2 PHE 105 2HD PHE 105 -4.818 4.306 0.482 851 HE1 PHE 105 1HE PHE 105 -0.861 1.871 2.098 852 HE2 PHE 105 2HE PHE 105 -4.490 1.947 -0.137 853 HZ PHE 105 HZ PHE 105 -2.510 0.726 0.671 854 H ASP 106 H ASP 106 -5.389 7.420 2.231 855 HA ASP 106 HA ASP 106 -7.660 5.988 3.440 856 HB2 ASP 106 1HB ASP 106 -7.497 8.957 2.877 857 HB3 ASP 106 2HB ASP 106 -8.914 8.106 3.487 858 H LEU 107 H LEU 107 -9.138 5.240 2.049 859 HA LEU 107 HA LEU 107 -8.978 6.160 -0.746 860 HB2 LEU 107 1HB LEU 107 -8.232 3.803 -0.264 861 HB3 LEU 107 2HB LEU 107 -9.899 3.450 0.187 862 HG LEU 107 HG LEU 107 -9.000 2.876 -2.206 863 HD11 LEU 107 1HD1 LEU 107 -11.420 3.725 -3.001 864 HD12 LEU 107 2HD1 LEU 107 -11.625 3.821 -1.252 865 HD13 LEU 107 3HD1 LEU 107 -11.168 2.292 -2.004 866 HD21 LEU 107 1HD2 LEU 107 -10.029 5.627 -2.783 867 HD22 LEU 107 2HD2 LEU 107 -9.093 4.545 -3.814 868 HD23 LEU 107 3HD2 LEU 107 -8.317 5.359 -2.454 869 H GLU 108 H GLU 108 -10.773 6.955 -1.648 870 HA GLU 108 HA GLU 108 -13.276 6.750 -0.117 871 HB2 GLU 108 1HB GLU 108 -12.066 8.891 -1.793 872 HB3 GLU 108 2HB GLU 108 -13.818 8.751 -1.796 873 HG2 GLU 108 1HG GLU 108 -13.992 9.254 0.462 874 HG3 GLU 108 2HG GLU 108 -12.303 8.862 0.778 875 H VAL 109 H VAL 109 -15.188 6.182 -1.121 876 HA VAL 109 HA VAL 109 -14.977 5.247 -3.907 877 HB VAL 109 HB VAL 109 -16.506 3.834 -1.719 878 HG11 VAL 109 1HG1 VAL 109 -17.131 2.254 -3.284 879 HG12 VAL 109 2HG1 VAL 109 -17.218 3.747 -4.221 880 HG13 VAL 109 3HG1 VAL 109 -15.824 2.679 -4.389 881 HG21 VAL 109 1HG2 VAL 109 -14.783 2.369 -1.417 882 HG22 VAL 109 2HG2 VAL 109 -14.146 2.609 -3.044 883 HG23 VAL 109 3HG2 VAL 109 -13.858 3.822 -1.797 884 H HIS 110 H HIS 110 -16.383 6.241 -5.179 885 HA HIS 110 HA HIS 110 -18.783 7.439 -3.984 886 HB2 HIS 110 1HB HIS 110 -17.337 8.015 -6.575 887 HB3 HIS 110 2HB HIS 110 -18.872 8.753 -6.129 888 HD1 HIS 110 1HD HIS 110 -17.577 11.061 -6.250 889 HD2 HIS 110 2HD HIS 110 -16.356 8.483 -3.230 890 HE1 HIS 110 1HE HIS 110 -16.234 12.475 -4.661 891 HE2 HIS 110 2HE HIS 110 -15.435 10.875 -2.887 892 H GLU 111 H GLU 111 -20.818 6.979 -4.718 893 HA GLU 111 HA GLU 111 -21.294 4.448 -5.834 894 HB2 GLU 111 1HB GLU 111 -23.105 6.847 -5.536 895 HB3 GLU 111 2HB GLU 111 -23.662 5.266 -6.065 896 HG2 GLU 111 1HG GLU 111 -22.588 4.422 -3.868 897 HG3 GLU 111 2HG GLU 111 -22.666 6.115 -3.383 898 H SER 112 H SER 112 -21.369 3.741 -7.864 899 HA SER 112 HA SER 112 -20.760 5.520 -10.029 900 HB2 SER 112 1HB SER 112 -19.797 3.316 -10.083 901 HB3 SER 112 2HB SER 112 -21.386 2.562 -9.945 902 HG SER 112 HG SER 112 -20.084 3.387 -12.152 903 H THR 113 H THR 113 -22.612 6.914 -9.936 904 HA THR 113 HA THR 113 -25.170 5.743 -10.730 905 HB THR 113 HB THR 113 -26.123 7.961 -10.329 906 HG1 THR 113 1HG THR 113 -24.831 9.667 -9.715 907 HG21 THR 113 1HG2 THR 113 -24.472 7.704 -7.907 908 HG22 THR 113 2HG2 THR 113 -25.263 6.218 -8.433 909 HG23 THR 113 3HG2 THR 113 -26.224 7.657 -8.096 910 H GLY 114 H GLY 114 -26.306 6.404 -12.584 911 HA2 GLY 114 1HA GLY 114 -24.606 7.022 -14.831 912 HA3 GLY 114 2HA GLY 114 -26.328 6.672 -14.887 913 H THR 115 H THR 115 -27.621 8.303 -15.400 914 HA THR 115 HA THR 115 -26.540 10.966 -15.643 915 HB THR 115 HB THR 115 -28.090 9.977 -17.341 916 HG1 THR 115 1HG THR 115 -28.525 12.443 -16.065 917 HG21 THR 115 1HG2 THR 115 -30.241 10.526 -15.298 918 HG22 THR 115 2HG2 THR 115 -29.614 8.917 -15.656 919 HG23 THR 115 3HG2 THR 115 -30.441 9.840 -16.910 920 H THR 116 H THR 116 -26.696 12.543 -14.194 921 HA THR 116 HA THR 116 -28.220 12.111 -11.766 922 HB THR 116 HB THR 116 -27.185 14.299 -11.058 923 HG1 THR 116 1HG THR 116 -26.570 15.379 -12.815 924 HG21 THR 116 1HG2 THR 116 -24.891 12.645 -11.899 925 HG22 THR 116 2HG2 THR 116 -26.158 11.801 -11.007 926 HG23 THR 116 3HG2 THR 116 -25.360 13.202 -10.293 927 HA PRO 117 HA PRO 117 -31.708 14.581 -12.786 928 HB2 PRO 117 1HB PRO 117 -32.365 15.550 -10.337 929 HB3 PRO 117 2HB PRO 117 -32.629 13.867 -10.806 930 HG2 PRO 117 1HG PRO 117 -30.407 15.057 -9.192 931 HG3 PRO 117 2HG PRO 117 -31.314 13.559 -8.914 932 HD2 PRO 117 1HD PRO 117 -28.846 13.582 -10.028 933 HD3 PRO 117 2HD PRO 117 -30.075 12.374 -10.455 934 H ASN 118 H ASN 118 -32.646 16.851 -12.284 935 HA ASN 118 HA ASN 118 -31.087 18.805 -13.364 936 HB2 ASN 118 1HB ASN 118 -32.700 20.379 -12.674 937 HB3 ASN 118 2HB ASN 118 -33.589 18.864 -12.799 938 HD21 ASN 118 1HD2 ASN 118 -32.837 21.478 -10.849 939 HD22 ASN 118 2HD2 ASN 118 -33.460 20.874 -9.355 940 H ILE 119 H ILE 119 -30.193 20.797 -12.381 941 HA ILE 119 HA ILE 119 -29.180 20.486 -9.661 942 HB ILE 119 HB ILE 119 -27.364 20.927 -12.034 943 HG12 ILE 119 1HG1 ILE 119 -27.214 18.688 -10.026 944 HG13 ILE 119 2HG1 ILE 119 -28.216 18.558 -11.467 945 HG21 ILE 119 1HG2 ILE 119 -25.596 21.303 -10.576 946 HG22 ILE 119 2HG2 ILE 119 -26.920 22.199 -9.834 947 HG23 ILE 119 3HG2 ILE 119 -26.459 20.621 -9.197 948 HD11 ILE 119 1HD1 ILE 119 -25.864 17.577 -11.545 949 HD12 ILE 119 2HD1 ILE 119 -26.372 18.598 -12.890 950 HD13 ILE 119 3HD1 ILE 119 -25.308 19.247 -11.644 951 H ASP 120 H ASP 120 -28.926 22.383 -8.597 952 HA ASP 120 HA ASP 120 -30.030 24.742 -9.770 953 HB2 ASP 120 1HB ASP 120 -30.491 24.533 -7.487 954 HB3 ASP 120 2HB ASP 120 -28.835 24.076 -7.096 955 H SER 121 H SER 121 -28.825 25.605 -11.381 956 HA SER 121 HA SER 121 -25.984 25.777 -11.311 957 HB2 SER 121 1HB SER 121 -28.072 27.060 -13.075 958 HB3 SER 121 2HB SER 121 -26.344 27.338 -13.291 959 HG SER 121 HG SER 121 -26.460 24.803 -13.175 960 H GLY 122 H GLY 122 -24.837 27.915 -11.573 961 HA2 GLY 122 1HA GLY 122 -25.634 29.631 -9.357 962 HA3 GLY 122 2HA GLY 122 -24.091 29.662 -10.197 963 HA PRO 123 HA PRO 123 -27.413 32.728 -11.959 964 HB2 PRO 123 1HB PRO 123 -27.505 34.718 -10.115 965 HB3 PRO 123 2HB PRO 123 -28.628 33.353 -10.112 966 HG2 PRO 123 1HG PRO 123 -26.161 33.780 -8.471 967 HG3 PRO 123 2HG PRO 123 -27.743 33.155 -7.971 968 HD2 PRO 123 1HD PRO 123 -25.628 31.538 -8.467 969 HD3 PRO 123 2HD PRO 123 -27.304 31.041 -8.779 970 H SER 124 H SER 124 -24.272 32.583 -10.968 971 HA SER 124 HA SER 124 -22.370 33.633 -11.649 972 HB2 SER 124 1HB SER 124 -22.359 34.681 -13.698 973 HB3 SER 124 2HB SER 124 -23.915 33.859 -13.802 974 HG SER 124 HG SER 124 -24.583 36.025 -12.699 975 H SER 125 H SER 125 -23.717 34.496 -9.323 976 HA SER 125 HA SER 125 -22.566 37.148 -9.072 977 HB2 SER 125 1HB SER 125 -25.005 37.412 -9.777 978 HB3 SER 125 2HB SER 125 -25.428 36.730 -8.206 979 HG SER 125 HG SER 125 -25.362 39.021 -8.169 980 H GLY 126 H GLY 126 -21.738 37.514 -7.080 981 HA2 GLY 126 1HA GLY 126 -21.992 35.327 -5.145 982 HA3 GLY 126 2HA GLY 126 -20.730 36.549 -5.163 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 11.189 19.725 6.972 2 HA2 GLY 1 1HA GLY 1 12.339 22.158 5.843 3 HA3 GLY 1 2HA GLY 1 12.198 20.602 5.038 4 H SER 2 H SER 2 11.214 21.256 3.181 5 HA SER 2 HA SER 2 8.868 22.957 3.291 6 HB2 SER 2 1HB SER 2 10.599 21.850 1.122 7 HB3 SER 2 2HB SER 2 8.956 22.345 0.712 8 HG SER 2 HG SER 2 11.122 23.887 1.587 9 H SER 3 H SER 3 9.635 19.668 2.166 10 HA SER 3 HA SER 3 6.882 18.884 2.795 11 HB2 SER 3 1HB SER 3 6.584 17.735 0.708 12 HB3 SER 3 2HB SER 3 7.093 19.381 0.332 13 HG SER 3 HG SER 3 8.863 18.627 -0.522 14 H GLY 4 H GLY 4 6.612 16.710 3.366 15 HA2 GLY 4 1HA GLY 4 7.483 14.454 3.532 16 HA3 GLY 4 2HA GLY 4 9.097 15.142 3.626 17 H SER 5 H SER 5 6.604 13.818 5.383 18 HA SER 5 HA SER 5 7.585 15.038 7.881 19 HB2 SER 5 1HB SER 5 5.393 14.491 8.869 20 HB3 SER 5 2HB SER 5 5.222 15.551 7.469 21 HG SER 5 HG SER 5 3.747 13.981 7.143 22 H SER 6 H SER 6 6.344 12.034 6.449 23 HA SER 6 HA SER 6 8.047 10.540 8.325 24 HB2 SER 6 1HB SER 6 6.256 8.781 8.407 25 HB3 SER 6 2HB SER 6 5.803 10.303 9.175 26 HG SER 6 HG SER 6 4.411 10.714 7.589 27 H GLY 7 H GLY 7 8.816 8.513 7.559 28 HA2 GLY 7 1HA GLY 7 9.110 6.850 5.893 29 HA3 GLY 7 2HA GLY 7 8.371 7.931 4.721 30 H ILE 8 H ILE 8 11.140 6.457 5.326 31 HA ILE 8 HA ILE 8 12.735 8.653 4.191 32 HB ILE 8 HB ILE 8 13.712 6.669 6.248 33 HG12 ILE 8 1HG1 ILE 8 13.457 9.664 6.530 34 HG13 ILE 8 2HG1 ILE 8 12.198 8.549 7.049 35 HG21 ILE 8 1HG2 ILE 8 15.712 7.072 5.353 36 HG22 ILE 8 2HG2 ILE 8 15.082 8.373 4.343 37 HG23 ILE 8 3HG2 ILE 8 15.566 8.704 6.006 38 HD11 ILE 8 1HD1 ILE 8 14.609 9.339 8.388 39 HD12 ILE 8 2HD1 ILE 8 13.229 8.426 9.000 40 HD13 ILE 8 3HD1 ILE 8 14.552 7.588 8.191 41 H LEU 9 H LEU 9 12.700 5.138 4.777 42 HA LEU 9 HA LEU 9 14.449 4.604 2.569 43 HB2 LEU 9 1HB LEU 9 14.120 3.234 4.719 44 HB3 LEU 9 2HB LEU 9 12.695 2.578 3.916 45 HG LEU 9 HG LEU 9 15.452 2.411 2.720 46 HD11 LEU 9 1HD1 LEU 9 15.920 1.092 4.486 47 HD12 LEU 9 2HD1 LEU 9 14.977 -0.091 3.580 48 HD13 LEU 9 3HD1 LEU 9 14.222 0.829 4.881 49 HD21 LEU 9 1HD2 LEU 9 13.532 2.117 1.210 50 HD22 LEU 9 2HD2 LEU 9 12.934 0.819 2.244 51 HD23 LEU 9 3HD2 LEU 9 14.470 0.635 1.396 52 H PHE 10 H PHE 10 11.062 3.666 3.196 53 HA PHE 10 HA PHE 10 10.351 2.617 0.806 54 HB2 PHE 10 1HB PHE 10 8.955 3.301 2.989 55 HB3 PHE 10 2HB PHE 10 8.419 4.587 1.912 56 HD1 PHE 10 2HD PHE 10 9.007 0.904 1.698 57 HD2 PHE 10 1HD PHE 10 6.448 4.191 0.829 58 HE1 PHE 10 2HE PHE 10 7.383 -0.636 0.677 59 HE2 PHE 10 1HE PHE 10 4.818 2.657 -0.193 60 HZ PHE 10 HZ PHE 10 5.285 0.240 -0.271 61 H ILE 11 H ILE 11 11.433 3.514 -0.943 62 HA ILE 11 HA ILE 11 11.844 6.042 -1.736 63 HB ILE 11 HB ILE 11 10.878 3.760 -3.453 64 HG12 ILE 11 1HG1 ILE 11 13.043 3.445 -2.324 65 HG13 ILE 11 2HG1 ILE 11 13.241 3.581 -4.068 66 HG21 ILE 11 1HG2 ILE 11 10.342 5.780 -4.633 67 HG22 ILE 11 2HG2 ILE 11 11.935 6.453 -4.294 68 HG23 ILE 11 3HG2 ILE 11 11.775 5.064 -5.369 69 HD11 ILE 11 1HD1 ILE 11 13.459 6.176 -2.931 70 HD12 ILE 11 2HD1 ILE 11 14.505 5.071 -2.039 71 HD13 ILE 11 3HD1 ILE 11 14.677 5.231 -3.786 72 H GLU 12 H GLU 12 8.922 4.344 -2.881 73 HA GLU 12 HA GLU 12 7.547 6.946 -2.925 74 HB2 GLU 12 1HB GLU 12 7.892 5.403 -5.044 75 HB3 GLU 12 2HB GLU 12 6.492 4.566 -4.388 76 HG2 GLU 12 1HG GLU 12 5.470 6.051 -5.778 77 HG3 GLU 12 2HG GLU 12 5.486 6.982 -4.282 78 H LYS 13 H LYS 13 5.455 7.130 -2.109 79 HA LYS 13 HA LYS 13 4.508 4.860 -0.488 80 HB2 LYS 13 1HB LYS 13 4.364 7.771 0.315 81 HB3 LYS 13 2HB LYS 13 3.841 6.391 1.271 82 HG2 LYS 13 1HG LYS 13 5.960 5.822 1.870 83 HG3 LYS 13 2HG LYS 13 6.671 6.460 0.386 84 HD2 LYS 13 1HD LYS 13 5.418 8.375 2.290 85 HD3 LYS 13 2HD LYS 13 6.986 7.681 2.710 86 HE2 LYS 13 1HE LYS 13 6.598 8.795 -0.024 87 HE3 LYS 13 2HE LYS 13 6.799 9.915 1.322 88 HZ1 LYS 13 1HZ LYS 13 8.771 8.471 -0.046 89 HZ2 LYS 13 2HZ LYS 13 8.744 7.923 1.554 90 HZ3 LYS 13 3HZ LYS 13 8.968 9.568 1.227 91 HA PRO 14 HA PRO 14 0.757 5.457 -2.752 92 HB2 PRO 14 1HB PRO 14 -0.835 3.885 -1.215 93 HB3 PRO 14 2HB PRO 14 0.352 3.232 -2.350 94 HG2 PRO 14 1HG PRO 14 0.564 3.594 0.614 95 HG3 PRO 14 2HG PRO 14 1.069 2.218 -0.385 96 HD2 PRO 14 1HD PRO 14 2.814 4.083 0.516 97 HD3 PRO 14 2HD PRO 14 3.025 3.248 -1.036 98 H GLN 15 H GLN 15 -0.132 7.435 -2.578 99 HA GLN 15 HA GLN 15 -1.039 8.419 0.006 100 HB2 GLN 15 1HB GLN 15 -0.878 9.701 -2.721 101 HB3 GLN 15 2HB GLN 15 -1.554 10.507 -1.312 102 HG2 GLN 15 1HG GLN 15 1.279 9.606 -1.738 103 HG3 GLN 15 2HG GLN 15 0.678 11.253 -1.551 104 HE21 GLN 15 1HE2 GLN 15 2.683 9.645 -0.044 105 HE22 GLN 15 2HE2 GLN 15 2.185 9.747 1.607 106 H GLY 16 H GLY 16 -2.413 6.174 -1.269 107 HA2 GLY 16 1HA GLY 16 -4.531 5.491 -1.892 108 HA3 GLY 16 2HA GLY 16 -5.014 6.624 -0.638 109 H GLY 17 H GLY 17 -6.957 6.728 -2.070 110 HA2 GLY 17 1HA GLY 17 -7.024 9.163 -3.456 111 HA3 GLY 17 2HA GLY 17 -6.861 7.874 -4.639 112 H THR 18 H THR 18 -8.899 8.310 -5.523 113 HA THR 18 HA THR 18 -11.109 7.196 -3.957 114 HB THR 18 HB THR 18 -11.508 9.697 -5.592 115 HG1 THR 18 1HG THR 18 -10.499 10.671 -4.000 116 HG21 THR 18 1HG2 THR 18 -13.580 8.698 -5.283 117 HG22 THR 18 2HG2 THR 18 -13.488 9.795 -3.905 118 HG23 THR 18 3HG2 THR 18 -13.156 8.077 -3.688 119 H VAL 19 H VAL 19 -12.028 5.624 -5.086 120 HA VAL 19 HA VAL 19 -11.994 5.796 -8.030 121 HB VAL 19 HB VAL 19 -10.547 3.994 -7.245 122 HG11 VAL 19 1HG1 VAL 19 -12.109 2.011 -6.242 123 HG12 VAL 19 2HG1 VAL 19 -11.135 3.110 -5.264 124 HG13 VAL 19 3HG1 VAL 19 -12.850 3.436 -5.514 125 HG21 VAL 19 1HG2 VAL 19 -12.684 3.747 -9.061 126 HG22 VAL 19 2HG2 VAL 19 -11.166 2.849 -9.046 127 HG23 VAL 19 3HG2 VAL 19 -12.574 2.214 -8.197 128 H LYS 20 H LYS 20 -13.844 5.283 -9.145 129 HA LYS 20 HA LYS 20 -16.311 5.561 -7.725 130 HB2 LYS 20 1HB LYS 20 -15.728 6.373 -10.105 131 HB3 LYS 20 2HB LYS 20 -16.072 4.722 -10.604 132 HG2 LYS 20 1HG LYS 20 -18.036 6.003 -10.961 133 HG3 LYS 20 2HG LYS 20 -18.331 4.966 -9.563 134 HD2 LYS 20 1HD LYS 20 -19.179 7.134 -9.040 135 HD3 LYS 20 2HD LYS 20 -17.699 6.904 -8.105 136 HE2 LYS 20 1HE LYS 20 -17.750 9.133 -9.058 137 HE3 LYS 20 2HE LYS 20 -16.456 8.188 -9.792 138 HZ1 LYS 20 1HZ LYS 20 -17.809 7.828 -11.723 139 HZ2 LYS 20 2HZ LYS 20 -17.743 9.489 -11.413 140 HZ3 LYS 20 3HZ LYS 20 -19.130 8.608 -11.011 141 H VAL 21 H VAL 21 -18.074 4.065 -7.734 142 HA VAL 21 HA VAL 21 -17.362 1.448 -6.997 143 HB VAL 21 HB VAL 21 -20.046 2.598 -7.759 144 HG11 VAL 21 1HG1 VAL 21 -20.491 0.395 -6.149 145 HG12 VAL 21 2HG1 VAL 21 -20.770 0.493 -7.889 146 HG13 VAL 21 3HG1 VAL 21 -19.247 -0.149 -7.273 147 HG21 VAL 21 1HG2 VAL 21 -20.304 2.248 -5.190 148 HG22 VAL 21 2HG2 VAL 21 -18.540 2.261 -5.200 149 HG23 VAL 21 3HG2 VAL 21 -19.436 3.657 -5.799 150 H GLY 22 H GLY 22 -16.713 -0.160 -8.259 151 HA2 GLY 22 1HA GLY 22 -17.129 -1.779 -9.949 152 HA3 GLY 22 2HA GLY 22 -18.071 -0.581 -10.825 153 H GLU 23 H GLU 23 -15.474 1.102 -9.900 154 HA GLU 23 HA GLU 23 -14.213 0.811 -12.497 155 HB2 GLU 23 1HB GLU 23 -14.112 2.811 -10.289 156 HB3 GLU 23 2HB GLU 23 -12.734 2.712 -11.376 157 HG2 GLU 23 1HG GLU 23 -14.325 2.997 -13.283 158 HG3 GLU 23 2HG GLU 23 -15.589 3.316 -12.096 159 H ASP 24 H ASP 24 -11.692 1.112 -12.402 160 HA ASP 24 HA ASP 24 -10.634 -0.857 -10.481 161 HB2 ASP 24 1HB ASP 24 -9.218 -1.767 -12.158 162 HB3 ASP 24 2HB ASP 24 -10.812 -1.630 -12.894 163 H ILE 25 H ILE 25 -9.087 -0.125 -9.190 164 HA ILE 25 HA ILE 25 -7.505 2.201 -10.071 165 HB ILE 25 HB ILE 25 -9.010 2.967 -8.360 166 HG12 ILE 25 1HG1 ILE 25 -6.403 2.535 -6.919 167 HG13 ILE 25 2HG1 ILE 25 -6.501 3.579 -8.333 168 HG21 ILE 25 1HG2 ILE 25 -7.917 0.898 -6.475 169 HG22 ILE 25 2HG2 ILE 25 -9.314 1.951 -6.257 170 HG23 ILE 25 3HG2 ILE 25 -9.377 0.635 -7.429 171 HD11 ILE 25 1HD1 ILE 25 -7.067 5.226 -6.974 172 HD12 ILE 25 2HD1 ILE 25 -8.588 4.386 -6.668 173 HD13 ILE 25 3HD1 ILE 25 -7.204 4.121 -5.607 174 H THR 26 H THR 26 -5.344 2.317 -9.323 175 HA THR 26 HA THR 26 -4.263 -0.128 -8.110 176 HB THR 26 HB THR 26 -2.900 1.202 -10.449 177 HG1 THR 26 1HG THR 26 -4.881 -0.800 -10.384 178 HG21 THR 26 1HG2 THR 26 -2.567 -1.614 -9.450 179 HG22 THR 26 2HG2 THR 26 -1.656 -0.272 -8.757 180 HG23 THR 26 3HG2 THR 26 -1.481 -0.668 -10.466 181 H PHE 27 H PHE 27 -2.805 0.251 -6.559 182 HA PHE 27 HA PHE 27 -1.907 3.017 -6.177 183 HB2 PHE 27 1HB PHE 27 -1.819 0.732 -4.199 184 HB3 PHE 27 2HB PHE 27 -1.531 2.436 -3.860 185 HD1 PHE 27 1HD PHE 27 -4.112 -0.011 -4.861 186 HD2 PHE 27 2HD PHE 27 -3.308 3.900 -3.387 187 HE1 PHE 27 1HE PHE 27 -6.501 0.285 -4.354 188 HE2 PHE 27 2HE PHE 27 -5.696 4.202 -2.877 189 HZ PHE 27 HZ PHE 27 -7.296 2.393 -3.359 190 H ILE 28 H ILE 28 0.219 3.568 -6.075 191 HA ILE 28 HA ILE 28 2.124 1.521 -6.941 192 HB ILE 28 HB ILE 28 2.290 4.532 -6.937 193 HG12 ILE 28 1HG1 ILE 28 0.914 3.512 -8.714 194 HG13 ILE 28 2HG1 ILE 28 2.360 4.277 -9.366 195 HG21 ILE 28 1HG2 ILE 28 4.497 4.128 -6.615 196 HG22 ILE 28 2HG2 ILE 28 4.395 2.474 -7.215 197 HG23 ILE 28 3HG2 ILE 28 4.443 3.822 -8.351 198 HD11 ILE 28 1HD1 ILE 28 2.147 2.254 -10.518 199 HD12 ILE 28 2HD1 ILE 28 3.408 1.965 -9.318 200 HD13 ILE 28 3HD1 ILE 28 1.776 1.356 -9.047 201 H ALA 29 H ALA 29 4.056 1.124 -5.872 202 HA ALA 29 HA ALA 29 4.735 2.538 -3.454 203 HB1 ALA 29 1HB ALA 29 4.728 0.242 -2.196 204 HB2 ALA 29 2HB ALA 29 3.261 1.217 -2.291 205 HB3 ALA 29 3HB ALA 29 3.475 -0.162 -3.370 206 H LYS 30 H LYS 30 6.849 2.790 -3.712 207 HA LYS 30 HA LYS 30 8.419 0.537 -4.782 208 HB2 LYS 30 1HB LYS 30 8.604 3.485 -5.147 209 HB3 LYS 30 2HB LYS 30 10.111 2.578 -5.107 210 HG2 LYS 30 1HG LYS 30 9.692 1.518 -7.077 211 HG3 LYS 30 2HG LYS 30 7.941 1.582 -6.868 212 HD2 LYS 30 1HD LYS 30 9.435 4.133 -7.239 213 HD3 LYS 30 2HD LYS 30 9.157 3.101 -8.643 214 HE2 LYS 30 1HE LYS 30 6.694 3.074 -7.730 215 HE3 LYS 30 2HE LYS 30 7.198 4.565 -6.935 216 HZ1 LYS 30 1HZ LYS 30 6.962 3.989 -9.812 217 HZ2 LYS 30 2HZ LYS 30 8.029 5.189 -9.283 218 HZ3 LYS 30 3HZ LYS 30 6.378 5.314 -8.936 219 H VAL 31 H VAL 31 10.527 0.174 -3.887 220 HA VAL 31 HA VAL 31 11.060 1.406 -1.286 221 HB VAL 31 HB VAL 31 9.802 -0.611 -0.748 222 HG11 VAL 31 1HG1 VAL 31 11.429 -2.744 -1.366 223 HG12 VAL 31 2HG1 VAL 31 9.937 -2.304 -2.201 224 HG13 VAL 31 3HG1 VAL 31 11.494 -1.754 -2.824 225 HG21 VAL 31 1HG2 VAL 31 12.150 0.152 0.359 226 HG22 VAL 31 2HG2 VAL 31 11.128 -1.136 0.996 227 HG23 VAL 31 3HG2 VAL 31 12.504 -1.530 -0.036 228 H LYS 32 H LYS 32 13.198 1.590 -0.788 229 HA LYS 32 HA LYS 32 15.075 1.136 -2.928 230 HB2 LYS 32 1HB LYS 32 14.963 3.136 -1.268 231 HB3 LYS 32 2HB LYS 32 15.835 2.067 -0.177 232 HG2 LYS 32 1HG LYS 32 17.494 3.329 -1.220 233 HG3 LYS 32 2HG LYS 32 17.518 1.782 -2.069 234 HD2 LYS 32 1HD LYS 32 15.791 3.034 -3.639 235 HD3 LYS 32 2HD LYS 32 16.620 4.459 -3.007 236 HE2 LYS 32 1HE LYS 32 18.270 2.188 -3.987 237 HE3 LYS 32 2HE LYS 32 17.457 3.198 -5.181 238 HZ1 LYS 32 1HZ LYS 32 18.694 4.834 -3.249 239 HZ2 LYS 32 2HZ LYS 32 18.999 4.744 -4.910 240 HZ3 LYS 32 3HZ LYS 32 19.831 3.730 -3.842 241 H ALA 33 H ALA 33 16.128 -0.705 -3.218 242 HA ALA 33 HA ALA 33 16.731 -2.369 -0.859 243 HB1 ALA 33 1HB ALA 33 15.366 -3.029 -3.292 244 HB2 ALA 33 2HB ALA 33 16.833 -3.999 -3.142 245 HB3 ALA 33 3HB ALA 33 15.628 -4.018 -1.854 246 H GLU 34 H GLU 34 18.800 -2.921 -0.514 247 HA GLU 34 HA GLU 34 20.767 -2.153 -2.566 248 HB2 GLU 34 1HB GLU 34 21.190 -2.434 0.413 249 HB3 GLU 34 2HB GLU 34 22.372 -1.866 -0.758 250 HG2 GLU 34 1HG GLU 34 20.986 0.078 -1.232 251 HG3 GLU 34 2HG GLU 34 19.779 -0.495 -0.082 252 H ASP 35 H ASP 35 19.403 -4.664 -2.604 253 HA ASP 35 HA ASP 35 21.649 -6.404 -2.828 254 HB2 ASP 35 1HB ASP 35 19.809 -6.683 -0.480 255 HB3 ASP 35 2HB ASP 35 20.502 -8.127 -1.214 256 H LEU 36 H LEU 36 21.068 -8.503 -3.720 257 HA LEU 36 HA LEU 36 18.429 -8.450 -5.029 258 HB2 LEU 36 1HB LEU 36 20.886 -9.800 -6.111 259 HB3 LEU 36 2HB LEU 36 19.375 -9.460 -6.951 260 HG LEU 36 HG LEU 36 21.476 -7.461 -6.123 261 HD11 LEU 36 1HD1 LEU 36 21.854 -8.950 -8.147 262 HD12 LEU 36 2HD1 LEU 36 21.940 -7.209 -8.410 263 HD13 LEU 36 3HD1 LEU 36 20.497 -8.102 -8.889 264 HD21 LEU 36 1HD2 LEU 36 19.532 -6.349 -7.858 265 HD22 LEU 36 2HD2 LEU 36 19.926 -5.877 -6.205 266 HD23 LEU 36 3HD2 LEU 36 18.682 -7.093 -6.503 267 H LEU 37 H LEU 37 20.785 -10.347 -3.302 268 HA LEU 37 HA LEU 37 19.748 -12.911 -3.709 269 HB2 LEU 37 1HB LEU 37 21.219 -11.693 -1.386 270 HB3 LEU 37 2HB LEU 37 20.788 -13.401 -1.454 271 HG LEU 37 HG LEU 37 22.263 -13.801 -3.255 272 HD11 LEU 37 1HD1 LEU 37 23.475 -12.031 -4.420 273 HD12 LEU 37 2HD1 LEU 37 22.629 -10.816 -3.463 274 HD13 LEU 37 3HD1 LEU 37 21.730 -11.832 -4.589 275 HD21 LEU 37 1HD2 LEU 37 24.402 -13.166 -2.360 276 HD22 LEU 37 2HD2 LEU 37 23.309 -13.528 -1.023 277 HD23 LEU 37 3HD2 LEU 37 23.672 -11.852 -1.437 278 H ARG 38 H ARG 38 18.743 -10.327 -1.574 279 HA ARG 38 HA ARG 38 16.628 -12.063 -0.491 280 HB2 ARG 38 1HB ARG 38 17.428 -9.386 0.631 281 HB3 ARG 38 2HB ARG 38 16.526 -10.673 1.419 282 HG2 ARG 38 1HG ARG 38 19.331 -11.173 0.539 283 HG3 ARG 38 2HG ARG 38 19.023 -10.259 2.017 284 HD2 ARG 38 1HD ARG 38 17.874 -12.072 3.011 285 HD3 ARG 38 2HD ARG 38 17.774 -12.940 1.479 286 HE ARG 38 HE ARG 38 19.906 -13.721 1.813 287 HH11 ARG 38 2HH1 ARG 38 19.246 -11.146 4.060 288 HH12 ARG 38 1HH1 ARG 38 20.686 -11.410 4.987 289 HH21 ARG 38 2HH2 ARG 38 21.805 -14.079 3.026 290 HH22 ARG 38 1HH2 ARG 38 22.141 -13.077 4.397 291 H LYS 39 H LYS 39 14.510 -11.051 -0.145 292 HA LYS 39 HA LYS 39 13.928 -8.791 -1.912 293 HB2 LYS 39 1HB LYS 39 13.470 -10.667 -3.326 294 HB3 LYS 39 2HB LYS 39 12.607 -11.501 -2.041 295 HG2 LYS 39 1HG LYS 39 10.949 -9.584 -2.106 296 HG3 LYS 39 2HG LYS 39 11.734 -9.097 -3.611 297 HD2 LYS 39 1HD LYS 39 10.498 -11.800 -3.086 298 HD3 LYS 39 2HD LYS 39 9.737 -10.492 -3.995 299 HE2 LYS 39 1HE LYS 39 11.694 -10.549 -5.551 300 HE3 LYS 39 2HE LYS 39 12.259 -11.986 -4.700 301 HZ1 LYS 39 1HZ LYS 39 10.715 -12.102 -6.838 302 HZ2 LYS 39 2HZ LYS 39 9.508 -12.030 -5.655 303 HZ3 LYS 39 3HZ LYS 39 10.660 -13.268 -5.614 304 HA PRO 40 HA PRO 40 11.611 -7.656 1.700 305 HB2 PRO 40 1HB PRO 40 10.485 -5.418 0.654 306 HB3 PRO 40 2HB PRO 40 12.171 -5.489 1.180 307 HG2 PRO 40 1HG PRO 40 11.037 -5.720 -1.581 308 HG3 PRO 40 2HG PRO 40 12.463 -4.823 -1.029 309 HD2 PRO 40 1HD PRO 40 12.641 -7.235 -2.245 310 HD3 PRO 40 2HD PRO 40 13.793 -6.705 -1.003 311 H THR 41 H THR 41 9.721 -8.447 2.359 312 HA THR 41 HA THR 41 7.686 -9.133 0.387 313 HB THR 41 HB THR 41 7.720 -9.758 3.345 314 HG1 THR 41 1HG THR 41 8.558 -11.762 2.709 315 HG21 THR 41 1HG2 THR 41 6.307 -11.703 1.932 316 HG22 THR 41 2HG2 THR 41 5.790 -10.170 1.230 317 HG23 THR 41 3HG2 THR 41 5.630 -10.444 2.964 318 H ILE 42 H ILE 42 5.826 -8.064 0.134 319 HA ILE 42 HA ILE 42 5.243 -5.868 2.000 320 HB ILE 42 HB ILE 42 5.585 -5.195 -0.337 321 HG12 ILE 42 1HG1 ILE 42 2.652 -4.844 0.092 322 HG13 ILE 42 2HG1 ILE 42 3.751 -4.239 1.326 323 HG21 ILE 42 1HG2 ILE 42 4.500 -6.079 -2.127 324 HG22 ILE 42 2HG2 ILE 42 4.465 -7.491 -1.073 325 HG23 ILE 42 3HG2 ILE 42 3.046 -6.453 -1.202 326 HD11 ILE 42 1HD1 ILE 42 2.980 -3.006 -1.080 327 HD12 ILE 42 2HD1 ILE 42 4.135 -2.430 0.122 328 HD13 ILE 42 3HD1 ILE 42 4.689 -3.413 -1.233 329 H LYS 43 H LYS 43 3.107 -5.504 2.709 330 HA LYS 43 HA LYS 43 1.131 -7.591 2.201 331 HB2 LYS 43 1HB LYS 43 2.467 -8.282 4.205 332 HB3 LYS 43 2HB LYS 43 1.930 -6.814 5.011 333 HG2 LYS 43 1HG LYS 43 0.386 -8.257 5.826 334 HG3 LYS 43 2HG LYS 43 -0.452 -7.765 4.352 335 HD2 LYS 43 1HD LYS 43 -0.637 -10.038 4.169 336 HD3 LYS 43 2HD LYS 43 0.894 -9.791 3.326 337 HE2 LYS 43 1HE LYS 43 1.338 -11.563 4.775 338 HE3 LYS 43 2HE LYS 43 1.985 -10.159 5.621 339 HZ1 LYS 43 1HZ LYS 43 -0.484 -11.674 6.190 340 HZ2 LYS 43 2HZ LYS 43 -0.289 -10.090 6.749 341 HZ3 LYS 43 3HZ LYS 43 0.791 -11.297 7.236 342 H TRP 44 H TRP 44 -0.658 -6.562 1.636 343 HA TRP 44 HA TRP 44 -1.118 -3.829 2.515 344 HB2 TRP 44 1HB TRP 44 -2.731 -5.556 0.624 345 HB3 TRP 44 2HB TRP 44 -2.950 -3.829 0.892 346 HD1 TRP 44 HD TRP 44 -0.439 -6.301 -0.665 347 HE1 TRP 44 1HE TRP 44 0.986 -5.026 -2.388 348 HE3 TRP 44 3HE TRP 44 -2.155 -1.566 0.209 349 HZ2 TRP 44 2HZ TRP 44 1.337 -2.364 -3.260 350 HZ3 TRP 44 3HZ TRP 44 -1.223 0.289 -1.112 351 HH2 TRP 44 HH TRP 44 0.487 -0.104 -2.810 352 H PHE 45 H PHE 45 -2.809 -3.143 3.773 353 HA PHE 45 HA PHE 45 -4.625 -5.180 4.852 354 HB2 PHE 45 1HB PHE 45 -2.888 -3.291 6.432 355 HB3 PHE 45 2HB PHE 45 -4.341 -4.014 7.115 356 HD1 PHE 45 1HD PHE 45 -4.493 -6.520 7.256 357 HD2 PHE 45 2HD PHE 45 -0.874 -4.479 6.333 358 HE1 PHE 45 1HE PHE 45 -3.209 -8.530 7.861 359 HE2 PHE 45 2HE PHE 45 0.416 -6.486 6.935 360 HZ PHE 45 HZ PHE 45 -0.751 -8.515 7.699 361 H LYS 46 H LYS 46 -6.307 -3.972 6.337 362 HA LYS 46 HA LYS 46 -6.970 -1.293 5.619 363 HB2 LYS 46 1HB LYS 46 -7.784 -2.017 3.570 364 HB3 LYS 46 2HB LYS 46 -8.310 -3.569 4.211 365 HG2 LYS 46 1HG LYS 46 -10.297 -2.744 4.965 366 HG3 LYS 46 2HG LYS 46 -9.657 -1.117 5.207 367 HD2 LYS 46 1HD LYS 46 -9.444 -1.131 2.601 368 HD3 LYS 46 2HD LYS 46 -10.645 -2.419 2.705 369 HE2 LYS 46 1HE LYS 46 -10.909 0.378 3.803 370 HE3 LYS 46 2HE LYS 46 -11.732 -0.273 2.386 371 HZ1 LYS 46 1HZ LYS 46 -13.117 -0.232 4.415 372 HZ2 LYS 46 2HZ LYS 46 -12.060 -1.338 5.138 373 HZ3 LYS 46 3HZ LYS 46 -12.941 -1.784 3.764 374 H GLY 47 H GLY 47 -8.795 -0.488 6.767 375 HA2 GLY 47 1HA GLY 47 -10.299 -0.395 8.506 376 HA3 GLY 47 2HA GLY 47 -10.435 -2.143 8.396 377 H LYS 48 H LYS 48 -10.147 -2.936 10.373 378 HA LYS 48 HA LYS 48 -8.033 -1.791 12.062 379 HB2 LYS 48 1HB LYS 48 -10.478 -1.998 12.852 380 HB3 LYS 48 2HB LYS 48 -10.150 -3.720 12.986 381 HG2 LYS 48 1HG LYS 48 -8.469 -3.352 14.631 382 HG3 LYS 48 2HG LYS 48 -8.521 -1.606 14.373 383 HD2 LYS 48 1HD LYS 48 -11.057 -2.941 15.131 384 HD3 LYS 48 2HD LYS 48 -9.813 -2.807 16.376 385 HE2 LYS 48 1HE LYS 48 -10.841 -0.813 16.720 386 HE3 LYS 48 2HE LYS 48 -9.729 -0.311 15.447 387 HZ1 LYS 48 1HZ LYS 48 -12.394 0.044 15.387 388 HZ2 LYS 48 2HZ LYS 48 -12.230 -1.377 14.484 389 HZ3 LYS 48 3HZ LYS 48 -11.399 0.021 14.019 390 H TRP 49 H TRP 49 -9.441 -4.968 11.257 391 HA TRP 49 HA TRP 49 -6.730 -6.097 11.372 392 HB2 TRP 49 1HB TRP 49 -9.116 -7.628 12.383 393 HB3 TRP 49 2HB TRP 49 -7.407 -7.959 12.646 394 HD1 TRP 49 HD TRP 49 -10.322 -6.030 14.070 395 HE1 TRP 49 1HE TRP 49 -9.600 -4.882 16.258 396 HE3 TRP 49 3HE TRP 49 -5.284 -6.852 13.792 397 HZ2 TRP 49 2HZ TRP 49 -7.210 -4.389 17.677 398 HZ3 TRP 49 3HZ TRP 49 -3.850 -6.009 15.605 399 HH2 TRP 49 HH TRP 49 -4.795 -4.803 17.506 400 H MET 50 H MET 50 -8.105 -5.268 9.062 401 HA MET 50 HA MET 50 -9.022 -7.766 7.830 402 HB2 MET 50 1HB MET 50 -10.189 -5.379 7.696 403 HB3 MET 50 2HB MET 50 -9.067 -5.176 6.357 404 HG2 MET 50 1HG MET 50 -9.968 -7.337 5.430 405 HG3 MET 50 2HG MET 50 -11.226 -7.239 6.659 406 HE1 MET 50 1HE MET 50 -10.645 -6.417 2.919 407 HE2 MET 50 2HE MET 50 -10.696 -4.654 2.938 408 HE3 MET 50 3HE MET 50 -9.429 -5.510 3.818 409 H ASP 51 H ASP 51 -7.720 -8.891 6.550 410 HA ASP 51 HA ASP 51 -5.243 -7.625 5.609 411 HB2 ASP 51 1HB ASP 51 -4.950 -9.627 6.996 412 HB3 ASP 51 2HB ASP 51 -5.947 -10.556 5.879 413 H LEU 52 H LEU 52 -5.677 -6.713 3.675 414 HA LEU 52 HA LEU 52 -7.491 -7.648 1.764 415 HB2 LEU 52 1HB LEU 52 -5.002 -6.012 1.304 416 HB3 LEU 52 2HB LEU 52 -6.372 -6.151 0.203 417 HG LEU 52 HG LEU 52 -6.510 -4.923 2.955 418 HD11 LEU 52 1HD1 LEU 52 -5.114 -3.792 1.034 419 HD12 LEU 52 2HD1 LEU 52 -6.191 -2.845 2.060 420 HD13 LEU 52 3HD1 LEU 52 -6.714 -3.335 0.449 421 HD21 LEU 52 1HD2 LEU 52 -8.474 -4.729 0.684 422 HD22 LEU 52 2HD2 LEU 52 -8.688 -4.208 2.355 423 HD23 LEU 52 3HD2 LEU 52 -8.601 -5.928 1.971 424 H ALA 53 H ALA 53 -4.190 -8.532 2.421 425 HA ALA 53 HA ALA 53 -3.347 -9.658 0.063 426 HB1 ALA 53 1HB ALA 53 -1.682 -10.576 1.274 427 HB2 ALA 53 2HB ALA 53 -2.346 -9.569 2.562 428 HB3 ALA 53 3HB ALA 53 -2.784 -11.274 2.461 429 H SER 54 H SER 54 -5.081 -11.393 2.658 430 HA SER 54 HA SER 54 -5.478 -13.731 1.091 431 HB2 SER 54 1HB SER 54 -7.303 -13.134 3.370 432 HB3 SER 54 2HB SER 54 -6.463 -14.630 2.963 433 HG SER 54 HG SER 54 -4.510 -13.184 3.519 434 H LYS 55 H LYS 55 -7.153 -10.737 1.375 435 HA LYS 55 HA LYS 55 -9.707 -11.628 0.481 436 HB2 LYS 55 1HB LYS 55 -8.468 -8.871 0.403 437 HB3 LYS 55 2HB LYS 55 -10.166 -9.227 0.116 438 HG2 LYS 55 1HG LYS 55 -8.807 -9.971 2.684 439 HG3 LYS 55 2HG LYS 55 -9.511 -8.374 2.422 440 HD2 LYS 55 1HD LYS 55 -11.617 -9.740 1.697 441 HD3 LYS 55 2HD LYS 55 -10.857 -11.035 2.625 442 HE2 LYS 55 1HE LYS 55 -11.160 -8.311 3.821 443 HE3 LYS 55 2HE LYS 55 -12.534 -9.415 3.785 444 HZ1 LYS 55 1HZ LYS 55 -11.378 -9.666 5.848 445 HZ2 LYS 55 2HZ LYS 55 -9.900 -9.905 5.063 446 HZ3 LYS 55 3HZ LYS 55 -11.124 -11.064 4.930 447 H ALA 56 H ALA 56 -6.785 -10.534 -1.106 448 HA ALA 56 HA ALA 56 -7.744 -9.950 -3.643 449 HB1 ALA 56 1HB ALA 56 -5.242 -11.343 -3.842 450 HB2 ALA 56 2HB ALA 56 -5.585 -9.624 -4.044 451 HB3 ALA 56 3HB ALA 56 -5.231 -10.270 -2.442 452 H GLY 57 H GLY 57 -8.903 -11.146 -4.996 453 HA2 GLY 57 1HA GLY 57 -8.151 -13.920 -5.474 454 HA3 GLY 57 2HA GLY 57 -9.774 -13.655 -4.855 455 H LYS 58 H LYS 58 -11.126 -12.092 -6.123 456 HA LYS 58 HA LYS 58 -10.533 -12.342 -9.000 457 HB2 LYS 58 1HB LYS 58 -12.517 -13.675 -7.846 458 HB3 LYS 58 2HB LYS 58 -13.350 -12.138 -8.039 459 HG2 LYS 58 1HG LYS 58 -12.413 -12.367 -10.506 460 HG3 LYS 58 2HG LYS 58 -12.444 -14.080 -10.085 461 HD2 LYS 58 1HD LYS 58 -14.825 -12.330 -9.582 462 HD3 LYS 58 2HD LYS 58 -14.535 -13.026 -11.178 463 HE2 LYS 58 1HE LYS 58 -14.588 -14.690 -8.674 464 HE3 LYS 58 2HE LYS 58 -16.045 -14.334 -9.602 465 HZ1 LYS 58 1HZ LYS 58 -15.431 -16.267 -10.584 466 HZ2 LYS 58 2HZ LYS 58 -13.781 -16.051 -10.282 467 HZ3 LYS 58 3HZ LYS 58 -14.526 -15.213 -11.549 468 H HIS 59 H HIS 59 -12.511 -10.479 -6.690 469 HA HIS 59 HA HIS 59 -12.810 -8.250 -8.428 470 HB2 HIS 59 1HB HIS 59 -13.198 -8.503 -5.440 471 HB3 HIS 59 2HB HIS 59 -13.651 -7.086 -6.383 472 HD1 HIS 59 1HD HIS 59 -15.392 -7.755 -8.462 473 HD2 HIS 59 2HD HIS 59 -15.236 -10.244 -5.139 474 HE1 HIS 59 1HE HIS 59 -17.530 -9.078 -8.512 475 HE2 HIS 59 2HE HIS 59 -17.452 -10.516 -6.445 476 H LEU 60 H LEU 60 -10.465 -9.156 -6.004 477 HA LEU 60 HA LEU 60 -9.032 -6.629 -6.502 478 HB2 LEU 60 1HB LEU 60 -9.671 -6.689 -4.217 479 HB3 LEU 60 2HB LEU 60 -9.151 -8.364 -4.048 480 HG LEU 60 HG LEU 60 -6.796 -7.275 -4.656 481 HD11 LEU 60 1HD1 LEU 60 -8.510 -5.021 -4.122 482 HD12 LEU 60 2HD1 LEU 60 -6.839 -5.056 -4.684 483 HD13 LEU 60 3HD1 LEU 60 -7.188 -5.104 -2.957 484 HD21 LEU 60 1HD2 LEU 60 -8.028 -8.300 -2.398 485 HD22 LEU 60 2HD2 LEU 60 -7.371 -6.753 -1.863 486 HD23 LEU 60 3HD2 LEU 60 -6.309 -7.958 -2.593 487 H GLN 61 H GLN 61 -6.844 -6.706 -6.939 488 HA GLN 61 HA GLN 61 -5.479 -9.272 -6.971 489 HB2 GLN 61 1HB GLN 61 -5.899 -7.631 -9.474 490 HB3 GLN 61 2HB GLN 61 -4.785 -8.985 -9.343 491 HG2 GLN 61 1HG GLN 61 -7.684 -9.335 -8.706 492 HG3 GLN 61 2HG GLN 61 -7.116 -9.361 -10.375 493 HE21 GLN 61 1HE2 GLN 61 -7.644 -11.169 -7.616 494 HE22 GLN 61 2HE2 GLN 61 -6.767 -12.590 -8.060 495 H LEU 62 H LEU 62 -3.508 -8.975 -6.186 496 HA LEU 62 HA LEU 62 -2.390 -6.287 -6.102 497 HB2 LEU 62 1HB LEU 62 -1.171 -8.755 -4.907 498 HB3 LEU 62 2HB LEU 62 -0.923 -7.074 -4.440 499 HG LEU 62 HG LEU 62 -3.525 -8.547 -4.058 500 HD11 LEU 62 1HD1 LEU 62 -2.718 -9.532 -2.245 501 HD12 LEU 62 2HD1 LEU 62 -2.125 -7.992 -1.624 502 HD13 LEU 62 3HD1 LEU 62 -1.108 -8.964 -2.688 503 HD21 LEU 62 1HD2 LEU 62 -3.457 -6.575 -2.223 504 HD22 LEU 62 2HD2 LEU 62 -4.181 -6.403 -3.822 505 HD23 LEU 62 3HD2 LEU 62 -2.542 -5.821 -3.527 506 H LYS 63 H LYS 63 -0.047 -6.006 -6.530 507 HA LYS 63 HA LYS 63 0.999 -7.831 -8.574 508 HB2 LYS 63 1HB LYS 63 -0.186 -5.514 -9.320 509 HB3 LYS 63 2HB LYS 63 1.460 -4.950 -9.064 510 HG2 LYS 63 1HG LYS 63 1.678 -5.541 -11.226 511 HG3 LYS 63 2HG LYS 63 1.975 -7.133 -10.523 512 HD2 LYS 63 1HD LYS 63 0.372 -7.709 -12.035 513 HD3 LYS 63 2HD LYS 63 -0.677 -7.266 -10.686 514 HE2 LYS 63 1HE LYS 63 -1.534 -6.226 -12.659 515 HE3 LYS 63 2HE LYS 63 -0.819 -4.969 -11.651 516 HZ1 LYS 63 1HZ LYS 63 1.187 -5.898 -13.329 517 HZ2 LYS 63 2HZ LYS 63 0.417 -4.393 -13.377 518 HZ3 LYS 63 3HZ LYS 63 -0.179 -5.677 -14.303 519 H GLU 64 H GLU 64 3.266 -7.838 -8.788 520 HA GLU 64 HA GLU 64 4.835 -6.177 -6.987 521 HB2 GLU 64 1HB GLU 64 4.518 -7.886 -5.444 522 HB3 GLU 64 2HB GLU 64 4.491 -9.136 -6.680 523 HG2 GLU 64 1HG GLU 64 6.997 -7.599 -6.172 524 HG3 GLU 64 2HG GLU 64 6.533 -8.918 -5.099 525 H THR 65 H THR 65 6.759 -5.668 -7.840 526 HA THR 65 HA THR 65 7.999 -7.403 -9.823 527 HB THR 65 HB THR 65 6.450 -5.784 -11.033 528 HG1 THR 65 1HG THR 65 8.406 -5.131 -12.440 529 HG21 THR 65 1HG2 THR 65 7.465 -3.505 -11.382 530 HG22 THR 65 2HG2 THR 65 8.519 -3.844 -10.009 531 HG23 THR 65 3HG2 THR 65 6.771 -3.778 -9.785 532 H PHE 66 H PHE 66 10.206 -6.769 -10.336 533 HA PHE 66 HA PHE 66 11.406 -4.976 -8.335 534 HB2 PHE 66 1HB PHE 66 11.881 -7.160 -7.516 535 HB3 PHE 66 2HB PHE 66 12.298 -7.748 -9.122 536 HD1 PHE 66 1HD PHE 66 13.363 -4.981 -6.850 537 HD2 PHE 66 2HD PHE 66 14.524 -8.118 -9.482 538 HE1 PHE 66 1HE PHE 66 15.729 -4.463 -6.418 539 HE2 PHE 66 2HE PHE 66 16.892 -7.606 -9.053 540 HZ PHE 66 HZ PHE 66 17.498 -5.777 -7.519 541 H GLU 67 H GLU 67 13.383 -3.977 -8.954 542 HA GLU 67 HA GLU 67 13.983 -4.098 -11.832 543 HB2 GLU 67 1HB GLU 67 13.545 -1.657 -10.122 544 HB3 GLU 67 2HB GLU 67 14.444 -1.587 -11.631 545 HG2 GLU 67 1HG GLU 67 12.436 -2.548 -12.771 546 HG3 GLU 67 2HG GLU 67 11.561 -2.346 -11.254 547 H ARG 68 H ARG 68 15.833 -5.311 -11.535 548 HA ARG 68 HA ARG 68 17.799 -4.835 -9.585 549 HB2 ARG 68 1HB ARG 68 19.265 -6.026 -11.457 550 HB3 ARG 68 2HB ARG 68 18.085 -6.908 -10.497 551 HG2 ARG 68 1HG ARG 68 17.143 -5.683 -13.024 552 HG3 ARG 68 2HG ARG 68 18.200 -7.092 -13.138 553 HD2 ARG 68 1HD ARG 68 15.891 -7.176 -11.258 554 HD3 ARG 68 2HD ARG 68 15.582 -7.350 -12.985 555 HE ARG 68 HE ARG 68 16.805 -9.275 -11.244 556 HH11 ARG 68 2HH1 ARG 68 16.563 -8.155 -14.532 557 HH12 ARG 68 1HH1 ARG 68 17.007 -9.681 -15.222 558 HH21 ARG 68 2HH2 ARG 68 17.390 -11.289 -12.140 559 HH22 ARG 68 1HH2 ARG 68 17.476 -11.463 -13.861 560 H HIS 69 H HIS 69 17.443 -3.658 -12.899 561 HA HIS 69 HA HIS 69 19.889 -2.439 -13.275 562 HB2 HIS 69 1HB HIS 69 18.331 -0.679 -14.553 563 HB3 HIS 69 2HB HIS 69 18.645 -2.293 -15.184 564 HD1 HIS 69 1HD HIS 69 16.693 -3.956 -15.206 565 HD2 HIS 69 2HD HIS 69 15.726 -0.265 -13.561 566 HE1 HIS 69 1HE HIS 69 14.186 -3.943 -15.010 567 HE2 HIS 69 2HE HIS 69 13.618 -1.668 -14.092 568 H SER 70 H SER 70 17.317 -1.529 -11.159 569 HA SER 70 HA SER 70 18.812 0.903 -10.426 570 HB2 SER 70 1HB SER 70 16.475 1.157 -11.572 571 HB3 SER 70 2HB SER 70 15.849 0.686 -9.992 572 HG SER 70 HG SER 70 17.498 2.462 -9.329 573 H ARG 71 H ARG 71 17.834 -2.112 -9.464 574 HA ARG 71 HA ARG 71 17.737 -3.213 -7.475 575 HB2 ARG 71 1HB ARG 71 19.583 -0.927 -6.907 576 HB3 ARG 71 2HB ARG 71 19.085 -1.978 -5.588 577 HG2 ARG 71 1HG ARG 71 19.829 -3.854 -7.311 578 HG3 ARG 71 2HG ARG 71 20.842 -2.536 -7.903 579 HD2 ARG 71 1HD ARG 71 21.346 -2.269 -5.312 580 HD3 ARG 71 2HD ARG 71 20.910 -3.977 -5.306 581 HE ARG 71 HE ARG 71 22.822 -3.295 -7.335 582 HH11 ARG 71 2HH1 ARG 71 22.399 -4.164 -3.991 583 HH12 ARG 71 1HH1 ARG 71 23.999 -4.805 -3.820 584 HH21 ARG 71 2HH2 ARG 71 24.931 -4.137 -7.123 585 HH22 ARG 71 1HH2 ARG 71 25.439 -4.788 -5.602 586 H VAL 72 H VAL 72 15.432 -1.954 -7.946 587 HA VAL 72 HA VAL 72 14.592 -1.136 -5.266 588 HB VAL 72 HB VAL 72 14.000 0.430 -7.777 589 HG11 VAL 72 1HG1 VAL 72 12.384 0.046 -5.432 590 HG12 VAL 72 2HG1 VAL 72 12.888 1.732 -5.562 591 HG13 VAL 72 3HG1 VAL 72 12.031 0.962 -6.897 592 HG21 VAL 72 1HG2 VAL 72 16.152 0.783 -6.409 593 HG22 VAL 72 2HG2 VAL 72 15.177 2.196 -6.814 594 HG23 VAL 72 3HG2 VAL 72 15.089 1.499 -5.197 595 H TYR 73 H TYR 73 12.785 -2.140 -4.655 596 HA TYR 73 HA TYR 73 11.370 -3.772 -6.604 597 HB2 TYR 73 1HB TYR 73 11.359 -3.643 -3.595 598 HB3 TYR 73 2HB TYR 73 10.162 -4.579 -4.483 599 HD1 TYR 73 2HD TYR 73 13.745 -4.278 -3.680 600 HD2 TYR 73 1HD TYR 73 10.736 -6.662 -5.515 601 HE1 TYR 73 2HE TYR 73 15.322 -6.161 -3.804 602 HE2 TYR 73 1HE TYR 73 12.304 -8.553 -5.642 603 HH TYR 73 HH TYR 73 14.296 -9.349 -4.868 604 H THR 74 H THR 74 9.325 -3.447 -7.282 605 HA THR 74 HA THR 74 7.854 -1.167 -6.127 606 HB THR 74 HB THR 74 7.800 -2.010 -9.030 607 HG1 THR 74 1HG THR 74 9.237 -0.421 -9.406 608 HG21 THR 74 1HG2 THR 74 6.324 -0.030 -7.402 609 HG22 THR 74 2HG2 THR 74 5.830 -0.896 -8.856 610 HG23 THR 74 3HG2 THR 74 6.879 0.515 -8.984 611 H PHE 75 H PHE 75 6.086 -1.842 -5.123 612 HA PHE 75 HA PHE 75 4.675 -4.200 -6.184 613 HB2 PHE 75 1HB PHE 75 4.501 -3.151 -3.358 614 HB3 PHE 75 2HB PHE 75 3.931 -4.701 -3.967 615 HD1 PHE 75 1HD PHE 75 5.704 -6.324 -4.870 616 HD2 PHE 75 2HD PHE 75 6.608 -2.967 -2.413 617 HE1 PHE 75 1HE PHE 75 7.852 -7.355 -4.256 618 HE2 PHE 75 2HE PHE 75 8.757 -3.993 -1.797 619 HZ PHE 75 HZ PHE 75 9.382 -6.189 -2.719 620 H GLU 76 H GLU 76 2.661 -3.943 -6.907 621 HA GLU 76 HA GLU 76 1.282 -1.415 -6.281 622 HB2 GLU 76 1HB GLU 76 0.821 -3.084 -8.749 623 HB3 GLU 76 2HB GLU 76 0.301 -1.432 -8.448 624 HG2 GLU 76 1HG GLU 76 2.336 -0.549 -8.935 625 HG3 GLU 76 2HG GLU 76 3.211 -1.983 -8.401 626 H MET 77 H MET 77 -1.146 -1.582 -6.518 627 HA MET 77 HA MET 77 -2.174 -4.218 -5.756 628 HB2 MET 77 1HB MET 77 -1.723 -2.932 -3.682 629 HB3 MET 77 2HB MET 77 -2.809 -1.673 -4.254 630 HG2 MET 77 1HG MET 77 -3.914 -4.405 -4.157 631 HG3 MET 77 2HG MET 77 -3.556 -3.645 -2.608 632 HE1 MET 77 1HE MET 77 -6.100 -1.691 -1.669 633 HE2 MET 77 2HE MET 77 -4.342 -1.830 -1.697 634 HE3 MET 77 3HE MET 77 -5.134 -0.492 -2.530 635 H GLN 78 H GLN 78 -3.493 -4.613 -7.429 636 HA GLN 78 HA GLN 78 -5.090 -2.483 -8.590 637 HB2 GLN 78 1HB GLN 78 -3.880 -4.650 -9.692 638 HB3 GLN 78 2HB GLN 78 -5.518 -5.258 -9.496 639 HG2 GLN 78 1HG GLN 78 -6.392 -3.410 -10.791 640 HG3 GLN 78 2HG GLN 78 -4.776 -2.720 -10.933 641 HE21 GLN 78 1HE2 GLN 78 -3.264 -4.912 -11.490 642 HE22 GLN 78 2HE2 GLN 78 -3.728 -5.579 -13.014 643 H ILE 79 H ILE 79 -7.268 -2.262 -8.423 644 HA ILE 79 HA ILE 79 -8.703 -4.230 -6.767 645 HB ILE 79 HB ILE 79 -9.009 -1.227 -6.651 646 HG12 ILE 79 1HG1 ILE 79 -7.627 -3.245 -4.943 647 HG13 ILE 79 2HG1 ILE 79 -7.150 -1.598 -5.343 648 HG21 ILE 79 1HG2 ILE 79 -11.044 -2.896 -6.347 649 HG22 ILE 79 2HG2 ILE 79 -10.357 -3.045 -4.731 650 HG23 ILE 79 3HG2 ILE 79 -10.855 -1.465 -5.335 651 HD11 ILE 79 1HD1 ILE 79 -7.721 -1.222 -3.206 652 HD12 ILE 79 2HD1 ILE 79 -9.347 -1.106 -3.880 653 HD13 ILE 79 3HD1 ILE 79 -8.806 -2.610 -3.137 654 H ILE 80 H ILE 80 -9.960 -5.238 -8.221 655 HA ILE 80 HA ILE 80 -11.293 -3.706 -10.314 656 HB ILE 80 HB ILE 80 -11.655 -6.653 -9.915 657 HG12 ILE 80 1HG1 ILE 80 -9.626 -6.632 -11.670 658 HG13 ILE 80 2HG1 ILE 80 -9.182 -5.216 -10.724 659 HG21 ILE 80 1HG2 ILE 80 -12.911 -6.217 -11.720 660 HG22 ILE 80 2HG2 ILE 80 -12.120 -4.669 -12.015 661 HG23 ILE 80 3HG2 ILE 80 -11.373 -6.163 -12.581 662 HD11 ILE 80 1HD1 ILE 80 -9.890 -7.661 -9.224 663 HD12 ILE 80 2HD1 ILE 80 -8.368 -7.667 -10.116 664 HD13 ILE 80 3HD1 ILE 80 -8.669 -6.434 -8.891 665 H LYS 81 H LYS 81 -13.411 -3.231 -10.345 666 HA LYS 81 HA LYS 81 -15.566 -2.980 -9.661 667 HB2 LYS 81 1HB LYS 81 -15.198 -5.676 -8.345 668 HB3 LYS 81 2HB LYS 81 -16.726 -4.911 -8.760 669 HG2 LYS 81 1HG LYS 81 -15.711 -4.940 -11.183 670 HG3 LYS 81 2HG LYS 81 -14.734 -6.249 -10.514 671 HD2 LYS 81 1HD LYS 81 -16.944 -7.238 -9.692 672 HD3 LYS 81 2HD LYS 81 -17.723 -6.088 -10.781 673 HE2 LYS 81 1HE LYS 81 -16.186 -7.047 -12.589 674 HE3 LYS 81 2HE LYS 81 -15.881 -8.363 -11.455 675 HZ1 LYS 81 1HZ LYS 81 -18.670 -7.687 -11.940 676 HZ2 LYS 81 2HZ LYS 81 -17.943 -9.199 -11.728 677 HZ3 LYS 81 3HZ LYS 81 -17.844 -8.415 -13.224 678 H ALA 82 H ALA 82 -13.759 -1.642 -8.144 679 HA ALA 82 HA ALA 82 -13.676 -2.096 -5.417 680 HB1 ALA 82 1HB ALA 82 -13.974 0.705 -6.380 681 HB2 ALA 82 2HB ALA 82 -12.843 0.026 -5.208 682 HB3 ALA 82 3HB ALA 82 -12.591 -0.241 -6.933 683 H LYS 83 H LYS 83 -15.359 -2.524 -4.146 684 HA LYS 83 HA LYS 83 -17.946 -1.300 -4.638 685 HB2 LYS 83 1HB LYS 83 -17.324 -3.094 -2.313 686 HB3 LYS 83 2HB LYS 83 -18.844 -2.888 -3.173 687 HG2 LYS 83 1HG LYS 83 -18.112 -4.174 -4.996 688 HG3 LYS 83 2HG LYS 83 -16.426 -4.096 -4.476 689 HD2 LYS 83 1HD LYS 83 -17.222 -5.333 -2.374 690 HD3 LYS 83 2HD LYS 83 -18.689 -5.679 -3.293 691 HE2 LYS 83 1HE LYS 83 -16.993 -6.486 -5.115 692 HE3 LYS 83 2HE LYS 83 -15.891 -6.621 -3.746 693 HZ1 LYS 83 1HZ LYS 83 -17.101 -8.299 -2.816 694 HZ2 LYS 83 2HZ LYS 83 -17.397 -8.615 -4.451 695 HZ3 LYS 83 3HZ LYS 83 -18.561 -7.814 -3.521 696 H ASP 84 H ASP 84 -19.180 -0.534 -2.640 697 HA ASP 84 HA ASP 84 -17.940 1.753 -1.612 698 HB2 ASP 84 1HB ASP 84 -19.943 2.199 -0.570 699 HB3 ASP 84 2HB ASP 84 -20.479 1.036 -1.779 700 H ASN 85 H ASN 85 -17.728 -1.503 -0.627 701 HA ASN 85 HA ASN 85 -17.100 -0.998 2.131 702 HB2 ASN 85 1HB ASN 85 -16.894 -3.433 0.364 703 HB3 ASN 85 2HB ASN 85 -16.313 -3.434 2.026 704 HD21 ASN 85 1HD2 ASN 85 -18.278 -5.155 1.193 705 HD22 ASN 85 2HD2 ASN 85 -19.775 -4.727 1.941 706 H PHE 86 H PHE 86 -15.402 -0.819 -0.810 707 HA PHE 86 HA PHE 86 -12.790 -1.372 0.265 708 HB2 PHE 86 1HB PHE 86 -13.726 -0.217 -2.364 709 HB3 PHE 86 2HB PHE 86 -12.026 -0.437 -1.964 710 HD1 PHE 86 2HD PHE 86 -15.127 -2.499 -1.668 711 HD2 PHE 86 1HD PHE 86 -11.084 -2.255 -2.977 712 HE1 PHE 86 2HE PHE 86 -15.247 -4.825 -2.461 713 HE2 PHE 86 1HE PHE 86 -11.198 -4.580 -3.773 714 HZ PHE 86 HZ PHE 86 -13.281 -5.869 -3.515 715 H ALA 87 H ALA 87 -14.877 1.162 0.614 716 HA ALA 87 HA ALA 87 -12.833 3.246 0.623 717 HB1 ALA 87 1HB ALA 87 -15.272 4.275 1.579 718 HB2 ALA 87 2HB ALA 87 -14.535 4.522 -0.005 719 HB3 ALA 87 3HB ALA 87 -15.666 3.192 0.244 720 H GLY 88 H GLY 88 -11.605 3.373 2.388 721 HA2 GLY 88 1HA GLY 88 -12.667 3.954 4.929 722 HA3 GLY 88 2HA GLY 88 -12.213 2.257 4.887 723 H ASN 89 H ASN 89 -10.331 1.972 5.868 724 HA ASN 89 HA ASN 89 -8.185 3.925 5.353 725 HB2 ASN 89 1HB ASN 89 -8.754 4.208 7.634 726 HB3 ASN 89 2HB ASN 89 -8.909 2.473 7.893 727 HD21 ASN 89 1HD2 ASN 89 -6.413 4.600 6.531 728 HD22 ASN 89 2HD2 ASN 89 -5.123 3.988 7.505 729 H TYR 90 H TYR 90 -6.414 3.135 4.427 730 HA TYR 90 HA TYR 90 -6.046 0.214 4.400 731 HB2 TYR 90 1HB TYR 90 -5.323 2.336 2.385 732 HB3 TYR 90 2HB TYR 90 -4.635 0.717 2.329 733 HD1 TYR 90 2HD TYR 90 -8.012 2.296 2.670 734 HD2 TYR 90 1HD TYR 90 -5.655 -0.776 0.907 735 HE1 TYR 90 2HE TYR 90 -9.981 1.509 1.425 736 HE2 TYR 90 1HE TYR 90 -7.617 -1.571 -0.345 737 HH TYR 90 HH TYR 90 -10.453 0.226 -0.651 738 H ARG 91 H ARG 91 -4.161 -0.662 5.071 739 HA ARG 91 HA ARG 91 -1.975 1.171 5.795 740 HB2 ARG 91 1HB ARG 91 -3.121 0.596 7.845 741 HB3 ARG 91 2HB ARG 91 -3.073 -1.114 7.438 742 HG2 ARG 91 1HG ARG 91 -0.559 -0.939 7.505 743 HG3 ARG 91 2HG ARG 91 -0.779 0.667 8.204 744 HD2 ARG 91 1HD ARG 91 -1.813 -1.929 9.340 745 HD3 ARG 91 2HD ARG 91 -0.438 -1.006 9.944 746 HE ARG 91 HE ARG 91 -2.734 0.627 9.903 747 HH11 ARG 91 2HH1 ARG 91 -1.354 -2.067 11.623 748 HH12 ARG 91 1HH1 ARG 91 -2.171 -1.706 13.108 749 HH21 ARG 91 2HH2 ARG 91 -3.815 1.113 11.852 750 HH22 ARG 91 1HH2 ARG 91 -3.571 0.103 13.236 751 H CYS 92 H CYS 92 -0.059 0.609 4.996 752 HA CYS 92 HA CYS 92 0.258 -2.127 3.954 753 HB2 CYS 92 1HB CYS 92 0.300 -0.136 2.339 754 HB3 CYS 92 2HB CYS 92 1.854 0.267 3.059 755 HG CYS 92 HG CYS 92 2.989 -2.251 2.361 756 H GLU 93 H GLU 93 2.199 -3.228 4.293 757 HA GLU 93 HA GLU 93 4.158 -1.999 6.084 758 HB2 GLU 93 1HB GLU 93 2.586 -4.502 6.653 759 HB3 GLU 93 2HB GLU 93 4.159 -4.218 7.385 760 HG2 GLU 93 1HG GLU 93 3.323 -2.156 8.389 761 HG3 GLU 93 2HG GLU 93 1.745 -2.440 7.657 762 H VAL 94 H VAL 94 6.156 -2.385 5.403 763 HA VAL 94 HA VAL 94 6.679 -4.828 3.847 764 HB VAL 94 HB VAL 94 6.556 -3.068 2.221 765 HG11 VAL 94 1HG1 VAL 94 7.075 -0.951 2.654 766 HG12 VAL 94 2HG1 VAL 94 7.490 -1.440 4.298 767 HG13 VAL 94 3HG1 VAL 94 8.736 -1.389 3.050 768 HG21 VAL 94 1HG2 VAL 94 9.474 -3.562 2.788 769 HG22 VAL 94 2HG2 VAL 94 8.397 -4.743 2.042 770 HG23 VAL 94 3HG2 VAL 94 8.731 -3.215 1.227 771 H THR 95 H THR 95 7.947 -5.996 5.145 772 HA THR 95 HA THR 95 10.004 -4.660 6.744 773 HB THR 95 HB THR 95 9.484 -7.607 6.879 774 HG1 THR 95 1HG THR 95 7.760 -5.543 7.659 775 HG21 THR 95 1HG2 THR 95 11.291 -6.190 8.156 776 HG22 THR 95 2HG2 THR 95 10.406 -7.470 8.986 777 HG23 THR 95 3HG2 THR 95 9.930 -5.786 9.201 778 H TYR 96 H TYR 96 11.845 -4.347 5.656 779 HA TYR 96 HA TYR 96 12.794 -6.434 3.826 780 HB2 TYR 96 1HB TYR 96 12.637 -4.145 2.925 781 HB3 TYR 96 2HB TYR 96 13.748 -3.583 4.169 782 HD1 TYR 96 2HD TYR 96 14.018 -6.742 2.248 783 HD2 TYR 96 1HD TYR 96 15.534 -2.810 2.835 784 HE1 TYR 96 2HE TYR 96 15.920 -7.262 0.778 785 HE2 TYR 96 1HE TYR 96 17.439 -3.319 1.365 786 HH TYR 96 HH TYR 96 18.560 -4.970 0.308 787 H LYS 97 H LYS 97 14.893 -7.265 3.966 788 HA LYS 97 HA LYS 97 15.847 -7.995 6.421 789 HB2 LYS 97 1HB LYS 97 17.793 -7.514 4.191 790 HB3 LYS 97 2HB LYS 97 17.735 -8.840 5.346 791 HG2 LYS 97 1HG LYS 97 16.064 -8.412 2.898 792 HG3 LYS 97 2HG LYS 97 17.080 -9.792 3.322 793 HD2 LYS 97 1HD LYS 97 15.440 -10.018 5.340 794 HD3 LYS 97 2HD LYS 97 14.363 -9.050 4.330 795 HE2 LYS 97 1HE LYS 97 14.395 -10.685 2.598 796 HE3 LYS 97 2HE LYS 97 15.701 -11.576 3.379 797 HZ1 LYS 97 1HZ LYS 97 14.277 -12.334 5.048 798 HZ2 LYS 97 2HZ LYS 97 13.364 -12.485 3.632 799 HZ3 LYS 97 3HZ LYS 97 13.077 -11.196 4.689 800 H ASP 98 H ASP 98 16.751 -5.141 4.540 801 HA ASP 98 HA ASP 98 18.775 -4.259 6.332 802 HB2 ASP 98 1HB ASP 98 17.198 -2.823 4.192 803 HB3 ASP 98 2HB ASP 98 18.498 -2.065 5.109 804 H LYS 99 H LYS 99 15.694 -2.622 5.612 805 HA LYS 99 HA LYS 99 15.295 -2.192 8.483 806 HB2 LYS 99 1HB LYS 99 15.236 -0.024 6.377 807 HB3 LYS 99 2HB LYS 99 14.677 0.180 8.031 808 HG2 LYS 99 1HG LYS 99 16.825 0.046 8.908 809 HG3 LYS 99 2HG LYS 99 17.470 -0.727 7.458 810 HD2 LYS 99 1HD LYS 99 17.332 1.307 6.221 811 HD3 LYS 99 2HD LYS 99 16.412 2.094 7.506 812 HE2 LYS 99 1HE LYS 99 19.142 1.012 8.067 813 HE3 LYS 99 2HE LYS 99 18.964 2.563 7.249 814 HZ1 LYS 99 1HZ LYS 99 19.162 2.846 9.636 815 HZ2 LYS 99 2HZ LYS 99 17.813 1.859 9.895 816 HZ3 LYS 99 3HZ LYS 99 17.633 3.347 9.111 817 H PHE 100 H PHE 100 13.076 -1.309 8.938 818 HA PHE 100 HA PHE 100 11.143 -2.402 7.001 819 HB2 PHE 100 1HB PHE 100 10.870 -3.839 8.784 820 HB3 PHE 100 2HB PHE 100 11.309 -2.617 9.973 821 HD1 PHE 100 1HD PHE 100 8.619 -3.452 7.538 822 HD2 PHE 100 2HD PHE 100 9.657 -1.630 11.242 823 HE1 PHE 100 1HE PHE 100 6.236 -3.065 8.012 824 HE2 PHE 100 2HE PHE 100 7.276 -1.241 11.722 825 HZ PHE 100 HZ PHE 100 5.561 -1.960 10.106 826 H ASP 101 H ASP 101 9.656 -1.048 6.235 827 HA ASP 101 HA ASP 101 9.177 1.470 7.689 828 HB2 ASP 101 1HB ASP 101 10.530 1.502 5.434 829 HB3 ASP 101 2HB ASP 101 8.934 1.337 4.708 830 H SER 102 H SER 102 7.077 2.397 7.454 831 HA SER 102 HA SER 102 5.012 0.635 6.349 832 HB2 SER 102 1HB SER 102 3.628 0.940 8.383 833 HB3 SER 102 2HB SER 102 5.125 0.072 8.721 834 HG SER 102 HG SER 102 5.152 2.846 8.990 835 H CYS 103 H CYS 103 2.944 1.706 6.032 836 HA CYS 103 HA CYS 103 2.719 4.540 6.332 837 HB2 CYS 103 1HB CYS 103 2.641 5.105 3.942 838 HB3 CYS 103 2HB CYS 103 4.225 4.493 4.402 839 HG CYS 103 HG CYS 103 3.351 1.816 3.465 840 H SER 104 H SER 104 0.629 5.257 6.058 841 HA SER 104 HA SER 104 -1.339 3.236 5.205 842 HB2 SER 104 1HB SER 104 -1.101 3.847 7.765 843 HB3 SER 104 2HB SER 104 -2.054 5.254 7.295 844 HG SER 104 HG SER 104 -2.785 2.598 7.479 845 H PHE 105 H PHE 105 -3.409 4.136 4.487 846 HA PHE 105 HA PHE 105 -3.467 6.933 3.746 847 HB2 PHE 105 1HB PHE 105 -3.869 6.378 1.320 848 HB3 PHE 105 2HB PHE 105 -2.218 6.123 1.874 849 HD1 PHE 105 1HD PHE 105 -1.428 3.807 2.343 850 HD2 PHE 105 2HD PHE 105 -5.166 4.605 0.469 851 HE1 PHE 105 1HE PHE 105 -1.513 1.486 1.530 852 HE2 PHE 105 2HE PHE 105 -5.257 2.285 -0.346 853 HZ PHE 105 HZ PHE 105 -3.429 0.722 0.185 854 H ASP 106 H ASP 106 -5.534 7.408 2.474 855 HA ASP 106 HA ASP 106 -7.697 5.690 3.503 856 HB2 ASP 106 1HB ASP 106 -8.018 8.623 2.907 857 HB3 ASP 106 2HB ASP 106 -9.034 7.587 3.906 858 H LEU 107 H LEU 107 -9.094 4.870 2.075 859 HA LEU 107 HA LEU 107 -8.928 5.824 -0.704 860 HB2 LEU 107 1HB LEU 107 -8.248 3.471 -0.244 861 HB3 LEU 107 2HB LEU 107 -9.898 3.148 0.287 862 HG LEU 107 HG LEU 107 -9.291 2.400 -2.053 863 HD11 LEU 107 1HD1 LEU 107 -11.529 4.247 -2.438 864 HD12 LEU 107 2HD1 LEU 107 -11.643 3.256 -0.984 865 HD13 LEU 107 3HD1 LEU 107 -11.469 2.489 -2.563 866 HD21 LEU 107 1HD2 LEU 107 -9.121 3.972 -3.794 867 HD22 LEU 107 2HD2 LEU 107 -8.038 4.559 -2.531 868 HD23 LEU 107 3HD2 LEU 107 -9.622 5.304 -2.753 869 H GLU 108 H GLU 108 -10.657 6.747 -1.591 870 HA GLU 108 HA GLU 108 -13.208 6.589 -0.139 871 HB2 GLU 108 1HB GLU 108 -11.910 8.699 -1.803 872 HB3 GLU 108 2HB GLU 108 -13.667 8.628 -1.768 873 HG2 GLU 108 1HG GLU 108 -13.618 8.815 0.674 874 HG3 GLU 108 2HG GLU 108 -11.859 8.921 0.621 875 H VAL 109 H VAL 109 -15.133 6.177 -1.231 876 HA VAL 109 HA VAL 109 -14.871 5.224 -4.005 877 HB VAL 109 HB VAL 109 -16.549 3.874 -1.888 878 HG11 VAL 109 1HG1 VAL 109 -15.786 2.695 -4.526 879 HG12 VAL 109 2HG1 VAL 109 -17.163 2.323 -3.487 880 HG13 VAL 109 3HG1 VAL 109 -17.140 3.820 -4.421 881 HG21 VAL 109 1HG2 VAL 109 -14.902 2.353 -1.491 882 HG22 VAL 109 2HG2 VAL 109 -14.193 2.533 -3.095 883 HG23 VAL 109 3HG2 VAL 109 -13.894 3.753 -1.856 884 H HIS 110 H HIS 110 -16.179 6.303 -5.311 885 HA HIS 110 HA HIS 110 -18.564 7.595 -4.188 886 HB2 HIS 110 1HB HIS 110 -16.997 8.137 -6.714 887 HB3 HIS 110 2HB HIS 110 -18.515 8.937 -6.318 888 HD1 HIS 110 1HD HIS 110 -17.126 11.190 -6.351 889 HD2 HIS 110 2HD HIS 110 -16.116 8.518 -3.334 890 HE1 HIS 110 1HE HIS 110 -15.782 12.522 -4.695 891 HE2 HIS 110 2HE HIS 110 -15.111 10.865 -2.921 892 H GLU 111 H GLU 111 -20.590 7.304 -5.074 893 HA GLU 111 HA GLU 111 -21.139 4.788 -6.223 894 HB2 GLU 111 1HB GLU 111 -22.849 7.263 -5.949 895 HB3 GLU 111 2HB GLU 111 -23.457 5.716 -6.523 896 HG2 GLU 111 1HG GLU 111 -22.486 4.803 -4.297 897 HG3 GLU 111 2HG GLU 111 -22.540 6.491 -3.793 898 H SER 112 H SER 112 -21.092 4.125 -8.263 899 HA SER 112 HA SER 112 -20.374 5.935 -10.367 900 HB2 SER 112 1HB SER 112 -19.601 3.523 -10.149 901 HB3 SER 112 2HB SER 112 -21.212 3.050 -10.686 902 HG SER 112 HG SER 112 -19.297 3.475 -12.259 903 H THR 113 H THR 113 -22.199 7.352 -10.365 904 HA THR 113 HA THR 113 -24.598 6.190 -11.626 905 HB THR 113 HB THR 113 -24.991 7.151 -9.354 906 HG1 THR 113 1HG THR 113 -26.543 7.192 -11.237 907 HG21 THR 113 1HG2 THR 113 -25.128 9.876 -9.855 908 HG22 THR 113 2HG2 THR 113 -23.581 9.391 -10.550 909 HG23 THR 113 3HG2 THR 113 -23.930 9.055 -8.855 910 H GLY 114 H GLY 114 -25.665 7.456 -13.239 911 HA2 GLY 114 1HA GLY 114 -23.855 8.745 -15.025 912 HA3 GLY 114 2HA GLY 114 -25.594 8.603 -15.234 913 H THR 115 H THR 115 -24.496 10.883 -16.068 914 HA THR 115 HA THR 115 -24.809 12.850 -13.916 915 HB THR 115 HB THR 115 -22.785 12.982 -15.372 916 HG1 THR 115 1HG THR 115 -23.660 14.858 -14.320 917 HG21 THR 115 1HG2 THR 115 -23.765 12.290 -17.486 918 HG22 THR 115 2HG2 THR 115 -23.061 13.899 -17.648 919 HG23 THR 115 3HG2 THR 115 -24.808 13.712 -17.493 920 H THR 116 H THR 116 -26.438 14.304 -13.864 921 HA THR 116 HA THR 116 -28.698 13.849 -15.602 922 HB THR 116 HB THR 116 -29.763 15.677 -14.208 923 HG1 THR 116 1HG THR 116 -28.484 16.769 -12.936 924 HG21 THR 116 1HG2 THR 116 -29.413 14.128 -12.023 925 HG22 THR 116 2HG2 THR 116 -28.834 13.035 -13.280 926 HG23 THR 116 3HG2 THR 116 -30.466 13.696 -13.370 927 HA PRO 117 HA PRO 117 -28.046 17.095 -18.488 928 HB2 PRO 117 1HB PRO 117 -30.606 17.817 -19.031 929 HB3 PRO 117 2HB PRO 117 -29.893 16.304 -19.604 930 HG2 PRO 117 1HG PRO 117 -31.681 16.784 -17.252 931 HG3 PRO 117 2HG PRO 117 -31.729 15.473 -18.445 932 HD2 PRO 117 1HD PRO 117 -30.649 15.162 -15.981 933 HD3 PRO 117 2HD PRO 117 -30.040 14.297 -17.407 934 H ASN 118 H ASN 118 -28.418 19.397 -18.889 935 HA ASN 118 HA ASN 118 -29.541 20.963 -16.719 936 HB2 ASN 118 1HB ASN 118 -26.647 21.357 -17.501 937 HB3 ASN 118 2HB ASN 118 -27.532 22.199 -16.233 938 HD21 ASN 118 1HD2 ASN 118 -25.568 19.575 -16.992 939 HD22 ASN 118 2HD2 ASN 118 -25.681 18.734 -15.488 940 H ILE 119 H ILE 119 -29.195 23.393 -17.236 941 HA ILE 119 HA ILE 119 -29.640 23.749 -20.126 942 HB ILE 119 HB ILE 119 -30.670 25.441 -17.846 943 HG12 ILE 119 1HG1 ILE 119 -32.327 23.801 -19.748 944 HG13 ILE 119 2HG1 ILE 119 -31.667 23.093 -18.277 945 HG21 ILE 119 1HG2 ILE 119 -31.483 25.642 -20.727 946 HG22 ILE 119 2HG2 ILE 119 -31.754 26.793 -19.420 947 HG23 ILE 119 3HG2 ILE 119 -30.132 26.569 -20.074 948 HD11 ILE 119 1HD1 ILE 119 -33.086 25.626 -17.890 949 HD12 ILE 119 2HD1 ILE 119 -34.082 24.286 -18.460 950 HD13 ILE 119 3HD1 ILE 119 -33.157 24.125 -16.968 951 H ASP 120 H ASP 120 -28.533 25.291 -21.233 952 HA ASP 120 HA ASP 120 -26.188 26.394 -19.933 953 HB2 ASP 120 1HB ASP 120 -27.131 26.274 -22.791 954 HB3 ASP 120 2HB ASP 120 -25.741 27.248 -22.318 955 H SER 121 H SER 121 -26.133 28.344 -19.054 956 HA SER 121 HA SER 121 -28.220 30.125 -18.905 957 HB2 SER 121 1HB SER 121 -25.269 30.795 -18.796 958 HB3 SER 121 2HB SER 121 -26.575 31.798 -18.167 959 HG SER 121 HG SER 121 -26.815 29.329 -17.176 960 H GLY 122 H GLY 122 -28.394 32.341 -19.779 961 HA2 GLY 122 1HA GLY 122 -27.932 32.282 -22.671 962 HA3 GLY 122 2HA GLY 122 -29.048 33.342 -21.822 963 HA PRO 123 HA PRO 123 -24.674 35.232 -22.579 964 HB2 PRO 123 1HB PRO 123 -24.940 36.247 -25.083 965 HB3 PRO 123 2HB PRO 123 -24.277 34.640 -24.763 966 HG2 PRO 123 1HG PRO 123 -27.041 35.413 -25.613 967 HG3 PRO 123 2HG PRO 123 -26.024 34.080 -26.191 968 HD2 PRO 123 1HD PRO 123 -28.021 33.718 -24.398 969 HD3 PRO 123 2HD PRO 123 -26.540 32.739 -24.389 970 H SER 124 H SER 124 -24.344 37.382 -22.171 971 HA SER 124 HA SER 124 -26.704 39.139 -22.354 972 HB2 SER 124 1HB SER 124 -24.614 38.919 -20.189 973 HB3 SER 124 2HB SER 124 -25.660 40.330 -20.348 974 HG SER 124 HG SER 124 -26.339 37.673 -19.710 975 H SER 125 H SER 125 -26.193 40.156 -24.254 976 HA SER 125 HA SER 125 -23.591 41.112 -24.884 977 HB2 SER 125 1HB SER 125 -24.549 42.004 -26.843 978 HB3 SER 125 2HB SER 125 -25.536 40.586 -26.493 979 HG SER 125 HG SER 125 -26.182 43.284 -26.362 980 H GLY 126 H GLY 126 -22.854 43.279 -24.995 981 HA2 GLY 126 1HA GLY 126 -24.327 45.481 -23.990 982 HA3 GLY 126 2HA GLY 126 -23.299 44.824 -22.725 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 15.115 19.493 16.032 2 HA2 GLY 1 1HA GLY 1 16.872 19.360 17.541 3 HA3 GLY 1 2HA GLY 1 16.347 17.737 17.962 4 H SER 2 H SER 2 17.041 15.969 16.680 5 HA SER 2 HA SER 2 19.108 16.502 14.688 6 HB2 SER 2 1HB SER 2 19.583 14.769 17.125 7 HB3 SER 2 2HB SER 2 20.693 14.954 15.768 8 HG SER 2 HG SER 2 19.863 16.953 17.601 9 H SER 3 H SER 3 18.746 15.267 12.978 10 HA SER 3 HA SER 3 17.193 12.795 13.329 11 HB2 SER 3 1HB SER 3 17.606 14.495 10.857 12 HB3 SER 3 2HB SER 3 16.645 13.018 10.925 13 HG SER 3 HG SER 3 15.683 14.416 12.841 14 H GLY 4 H GLY 4 19.969 14.137 11.558 15 HA2 GLY 4 1HA GLY 4 21.849 13.135 10.705 16 HA3 GLY 4 2HA GLY 4 21.622 11.919 11.953 17 H SER 5 H SER 5 22.577 10.562 10.200 18 HA SER 5 HA SER 5 20.527 9.713 8.263 19 HB2 SER 5 1HB SER 5 23.533 9.663 8.174 20 HB3 SER 5 2HB SER 5 22.584 8.586 7.150 21 HG SER 5 HG SER 5 23.055 11.250 6.893 22 H SER 6 H SER 6 19.399 8.146 9.275 23 HA SER 6 HA SER 6 20.881 6.015 10.649 24 HB2 SER 6 1HB SER 6 19.056 7.177 11.900 25 HB3 SER 6 2HB SER 6 17.906 6.571 10.709 26 HG SER 6 HG SER 6 19.587 4.706 11.905 27 H GLY 7 H GLY 7 18.276 6.508 8.279 28 HA2 GLY 7 1HA GLY 7 18.989 4.780 6.348 29 HA3 GLY 7 2HA GLY 7 18.296 3.701 7.550 30 H ILE 8 H ILE 8 17.659 5.766 4.949 31 HA ILE 8 HA ILE 8 14.829 6.058 5.610 32 HB ILE 8 HB ILE 8 16.040 7.993 4.656 33 HG12 ILE 8 1HG1 ILE 8 14.373 8.424 2.777 34 HG13 ILE 8 2HG1 ILE 8 13.777 6.792 3.060 35 HG21 ILE 8 1HG2 ILE 8 16.066 6.676 1.985 36 HG22 ILE 8 2HG2 ILE 8 17.046 8.008 2.595 37 HG23 ILE 8 3HG2 ILE 8 17.384 6.356 3.111 38 HD11 ILE 8 1HD1 ILE 8 12.343 8.207 4.251 39 HD12 ILE 8 2HD1 ILE 8 13.415 7.508 5.465 40 HD13 ILE 8 3HD1 ILE 8 13.680 9.156 4.899 41 H LEU 9 H LEU 9 13.285 4.788 4.808 42 HA LEU 9 HA LEU 9 13.907 3.120 2.465 43 HB2 LEU 9 1HB LEU 9 13.858 2.042 4.877 44 HB3 LEU 9 2HB LEU 9 12.118 2.064 4.595 45 HG LEU 9 HG LEU 9 12.882 0.880 2.328 46 HD11 LEU 9 1HD1 LEU 9 14.667 -0.793 2.995 47 HD12 LEU 9 2HD1 LEU 9 15.060 0.305 4.317 48 HD13 LEU 9 3HD1 LEU 9 15.213 0.848 2.646 49 HD21 LEU 9 1HD2 LEU 9 12.478 -1.289 3.498 50 HD22 LEU 9 2HD2 LEU 9 11.257 -0.056 3.808 51 HD23 LEU 9 3HD2 LEU 9 12.486 -0.406 5.024 52 H PHE 10 H PHE 10 11.980 2.315 1.333 53 HA PHE 10 HA PHE 10 9.913 2.541 0.394 54 HB2 PHE 10 1HB PHE 10 9.372 2.915 3.018 55 HB3 PHE 10 2HB PHE 10 8.893 4.484 2.379 56 HD1 PHE 10 2HD PHE 10 8.596 1.045 0.975 57 HD2 PHE 10 1HD PHE 10 6.594 4.553 2.319 58 HE1 PHE 10 2HE PHE 10 6.446 0.090 0.256 59 HE2 PHE 10 1HE PHE 10 4.441 3.603 1.604 60 HZ PHE 10 HZ PHE 10 4.364 1.369 0.569 61 H ILE 11 H ILE 11 11.863 4.013 -0.671 62 HA ILE 11 HA ILE 11 11.843 6.717 -0.778 63 HB ILE 11 HB ILE 11 13.195 5.086 -2.212 64 HG12 ILE 11 1HG1 ILE 11 13.124 6.886 -4.180 65 HG13 ILE 11 2HG1 ILE 11 12.169 7.772 -2.996 66 HG21 ILE 11 1HG2 ILE 11 10.740 5.386 -3.927 67 HG22 ILE 11 2HG2 ILE 11 12.300 4.845 -4.544 68 HG23 ILE 11 3HG2 ILE 11 11.459 3.895 -3.319 69 HD11 ILE 11 1HD1 ILE 11 14.356 8.506 -2.674 70 HD12 ILE 11 2HD1 ILE 11 14.093 7.333 -1.382 71 HD13 ILE 11 3HD1 ILE 11 15.020 6.877 -2.812 72 H GLU 12 H GLU 12 9.435 4.566 -2.177 73 HA GLU 12 HA GLU 12 7.910 6.895 -3.115 74 HB2 GLU 12 1HB GLU 12 8.463 4.946 -4.676 75 HB3 GLU 12 2HB GLU 12 7.307 4.010 -3.739 76 HG2 GLU 12 1HG GLU 12 6.427 5.028 -5.852 77 HG3 GLU 12 2HG GLU 12 5.510 5.392 -4.391 78 H LYS 13 H LYS 13 5.669 7.062 -2.644 79 HA LYS 13 HA LYS 13 4.716 5.420 -0.403 80 HB2 LYS 13 1HB LYS 13 4.506 8.433 -0.553 81 HB3 LYS 13 2HB LYS 13 3.820 7.417 0.707 82 HG2 LYS 13 1HG LYS 13 6.736 7.213 0.209 83 HG3 LYS 13 2HG LYS 13 6.130 8.668 1.005 84 HD2 LYS 13 1HD LYS 13 5.250 5.979 1.967 85 HD3 LYS 13 2HD LYS 13 6.842 6.591 2.423 86 HE2 LYS 13 1HE LYS 13 5.425 8.753 3.009 87 HE3 LYS 13 2HE LYS 13 4.135 7.563 3.176 88 HZ1 LYS 13 1HZ LYS 13 6.115 8.192 5.020 89 HZ2 LYS 13 2HZ LYS 13 6.451 6.627 4.476 90 HZ3 LYS 13 3HZ LYS 13 4.937 6.983 5.140 91 HA PRO 14 HA PRO 14 1.227 5.139 -3.144 92 HB2 PRO 14 1HB PRO 14 -0.326 3.650 -1.489 93 HB3 PRO 14 2HB PRO 14 1.024 2.973 -2.407 94 HG2 PRO 14 1HG PRO 14 0.919 3.821 0.462 95 HG3 PRO 14 2HG PRO 14 1.658 2.375 -0.251 96 HD2 PRO 14 1HD PRO 14 3.104 4.555 0.452 97 HD3 PRO 14 2HD PRO 14 3.547 3.516 -0.918 98 H GLN 15 H GLN 15 0.343 7.168 -3.265 99 HA GLN 15 HA GLN 15 -0.977 8.361 -0.990 100 HB2 GLN 15 1HB GLN 15 -0.774 9.257 -3.869 101 HB3 GLN 15 2HB GLN 15 -1.493 10.203 -2.573 102 HG2 GLN 15 1HG GLN 15 1.377 9.474 -2.996 103 HG3 GLN 15 2HG GLN 15 0.652 11.069 -2.804 104 HE21 GLN 15 1HE2 GLN 15 2.832 9.587 -1.365 105 HE22 GLN 15 2HE2 GLN 15 2.404 9.703 0.305 106 H GLY 16 H GLY 16 -2.886 7.546 -0.397 107 HA2 GLY 16 1HA GLY 16 -4.643 6.012 -1.827 108 HA3 GLY 16 2HA GLY 16 -5.138 7.075 -0.518 109 H GLY 17 H GLY 17 -6.932 6.621 -2.464 110 HA2 GLY 17 1HA GLY 17 -7.255 9.272 -3.590 111 HA3 GLY 17 2HA GLY 17 -7.061 7.991 -4.778 112 H THR 18 H THR 18 -9.168 8.447 -5.566 113 HA THR 18 HA THR 18 -11.268 7.195 -3.940 114 HB THR 18 HB THR 18 -11.857 9.635 -5.602 115 HG1 THR 18 1HG THR 18 -11.947 10.469 -3.203 116 HG21 THR 18 1HG2 THR 18 -13.312 7.967 -3.597 117 HG22 THR 18 2HG2 THR 18 -13.870 8.610 -5.142 118 HG23 THR 18 3HG2 THR 18 -13.715 9.677 -3.747 119 H VAL 19 H VAL 19 -12.030 5.515 -5.030 120 HA VAL 19 HA VAL 19 -12.087 5.646 -7.974 121 HB VAL 19 HB VAL 19 -10.615 3.885 -7.150 122 HG11 VAL 19 1HG1 VAL 19 -11.781 1.910 -5.988 123 HG12 VAL 19 2HG1 VAL 19 -11.393 3.334 -5.021 124 HG13 VAL 19 3HG1 VAL 19 -13.043 3.075 -5.588 125 HG21 VAL 19 1HG2 VAL 19 -12.939 2.306 -8.084 126 HG22 VAL 19 2HG2 VAL 19 -12.405 3.633 -9.115 127 HG23 VAL 19 3HG2 VAL 19 -11.281 2.346 -8.682 128 H LYS 20 H LYS 20 -13.944 5.172 -9.061 129 HA LYS 20 HA LYS 20 -16.404 5.397 -7.624 130 HB2 LYS 20 1HB LYS 20 -15.804 6.207 -10.026 131 HB3 LYS 20 2HB LYS 20 -16.228 4.568 -10.503 132 HG2 LYS 20 1HG LYS 20 -18.139 5.956 -10.814 133 HG3 LYS 20 2HG LYS 20 -18.450 4.898 -9.436 134 HD2 LYS 20 1HD LYS 20 -19.201 7.055 -8.805 135 HD3 LYS 20 2HD LYS 20 -17.673 6.795 -7.961 136 HE2 LYS 20 1HE LYS 20 -17.448 8.953 -8.777 137 HE3 LYS 20 2HE LYS 20 -16.617 7.988 -9.996 138 HZ1 LYS 20 1HZ LYS 20 -19.206 9.363 -10.166 139 HZ2 LYS 20 2HZ LYS 20 -18.949 7.982 -11.108 140 HZ3 LYS 20 3HZ LYS 20 -17.935 9.325 -11.283 141 H VAL 21 H VAL 21 -18.141 3.880 -7.614 142 HA VAL 21 HA VAL 21 -17.401 1.269 -6.907 143 HB VAL 21 HB VAL 21 -20.102 2.371 -7.686 144 HG11 VAL 21 1HG1 VAL 21 -19.248 -0.354 -7.167 145 HG12 VAL 21 2HG1 VAL 21 -20.511 0.176 -6.055 146 HG13 VAL 21 3HG1 VAL 21 -20.781 0.250 -7.797 147 HG21 VAL 21 1HG2 VAL 21 -20.466 2.245 -5.205 148 HG22 VAL 21 2HG2 VAL 21 -18.743 1.909 -5.037 149 HG23 VAL 21 3HG2 VAL 21 -19.280 3.443 -5.723 150 H GLY 22 H GLY 22 -16.881 -0.430 -8.111 151 HA2 GLY 22 1HA GLY 22 -17.258 -2.010 -9.829 152 HA3 GLY 22 2HA GLY 22 -18.148 -0.787 -10.725 153 H GLU 23 H GLU 23 -15.767 1.063 -10.000 154 HA GLU 23 HA GLU 23 -14.361 0.609 -12.465 155 HB2 GLU 23 1HB GLU 23 -14.427 2.721 -10.385 156 HB3 GLU 23 2HB GLU 23 -12.937 2.575 -11.306 157 HG2 GLU 23 1HG GLU 23 -14.267 4.185 -12.403 158 HG3 GLU 23 2HG GLU 23 -14.320 2.725 -13.389 159 H ASP 24 H ASP 24 -11.808 1.136 -12.160 160 HA ASP 24 HA ASP 24 -10.777 -0.763 -10.161 161 HB2 ASP 24 1HB ASP 24 -10.460 -2.110 -11.977 162 HB3 ASP 24 2HB ASP 24 -10.422 -0.759 -13.107 163 H ILE 25 H ILE 25 -8.888 -0.213 -9.164 164 HA ILE 25 HA ILE 25 -7.549 2.251 -10.053 165 HB ILE 25 HB ILE 25 -9.040 2.783 -8.158 166 HG12 ILE 25 1HG1 ILE 25 -6.260 2.917 -7.059 167 HG13 ILE 25 2HG1 ILE 25 -6.618 3.736 -8.575 168 HG21 ILE 25 1HG2 ILE 25 -9.002 0.593 -7.068 169 HG22 ILE 25 2HG2 ILE 25 -7.317 0.849 -6.615 170 HG23 ILE 25 3HG2 ILE 25 -8.578 1.882 -5.941 171 HD11 ILE 25 1HD1 ILE 25 -7.051 4.656 -5.959 172 HD12 ILE 25 2HD1 ILE 25 -7.492 5.439 -7.476 173 HD13 ILE 25 3HD1 ILE 25 -8.640 4.372 -6.668 174 H THR 26 H THR 26 -5.348 2.478 -9.315 175 HA THR 26 HA THR 26 -4.087 0.025 -8.324 176 HB THR 26 HB THR 26 -2.832 1.501 -10.620 177 HG1 THR 26 1HG THR 26 -4.430 -0.824 -10.939 178 HG21 THR 26 1HG2 THR 26 -1.709 -0.661 -10.961 179 HG22 THR 26 2HG2 THR 26 -2.588 -1.326 -9.584 180 HG23 THR 26 3HG2 THR 26 -1.422 -0.025 -9.342 181 H PHE 27 H PHE 27 -2.726 0.464 -6.723 182 HA PHE 27 HA PHE 27 -1.810 3.227 -6.376 183 HB2 PHE 27 1HB PHE 27 -1.780 0.945 -4.390 184 HB3 PHE 27 2HB PHE 27 -1.392 2.628 -4.049 185 HD1 PHE 27 1HD PHE 27 -4.105 0.304 -4.953 186 HD2 PHE 27 2HD PHE 27 -3.091 4.222 -3.636 187 HE1 PHE 27 1HE PHE 27 -6.469 0.734 -4.424 188 HE2 PHE 27 2HE PHE 27 -5.453 4.658 -3.103 189 HZ PHE 27 HZ PHE 27 -7.146 2.913 -3.496 190 H ILE 28 H ILE 28 0.335 3.758 -6.156 191 HA ILE 28 HA ILE 28 2.228 1.718 -7.075 192 HB ILE 28 HB ILE 28 2.409 4.727 -7.007 193 HG12 ILE 28 1HG1 ILE 28 1.066 3.741 -8.828 194 HG13 ILE 28 2HG1 ILE 28 2.526 4.514 -9.438 195 HG21 ILE 28 1HG2 ILE 28 4.523 2.765 -6.987 196 HG22 ILE 28 2HG2 ILE 28 4.570 3.736 -8.457 197 HG23 ILE 28 3HG2 ILE 28 4.619 4.523 -6.880 198 HD11 ILE 28 1HD1 ILE 28 2.434 2.548 -10.639 199 HD12 ILE 28 2HD1 ILE 28 3.539 2.143 -9.325 200 HD13 ILE 28 3HD1 ILE 28 1.858 1.611 -9.260 201 H ALA 29 H ALA 29 3.691 0.863 -5.752 202 HA ALA 29 HA ALA 29 4.678 2.359 -3.464 203 HB1 ALA 29 1HB ALA 29 4.149 0.639 -1.844 204 HB2 ALA 29 2HB ALA 29 2.670 1.220 -2.611 205 HB3 ALA 29 3HB ALA 29 3.363 -0.329 -3.092 206 H LYS 30 H LYS 30 6.801 2.233 -3.769 207 HA LYS 30 HA LYS 30 7.983 -0.414 -4.258 208 HB2 LYS 30 1HB LYS 30 9.279 0.291 -6.010 209 HB3 LYS 30 2HB LYS 30 7.876 1.321 -6.260 210 HG2 LYS 30 1HG LYS 30 9.080 3.084 -4.920 211 HG3 LYS 30 2HG LYS 30 10.513 2.059 -5.024 212 HD2 LYS 30 1HD LYS 30 10.679 3.627 -6.794 213 HD3 LYS 30 2HD LYS 30 10.208 2.093 -7.530 214 HE2 LYS 30 1HE LYS 30 8.656 3.371 -8.552 215 HE3 LYS 30 2HE LYS 30 7.780 3.149 -7.039 216 HZ1 LYS 30 1HZ LYS 30 7.700 5.397 -7.206 217 HZ2 LYS 30 2HZ LYS 30 9.154 5.517 -8.061 218 HZ3 LYS 30 3HZ LYS 30 9.175 5.267 -6.388 219 H VAL 31 H VAL 31 9.828 -0.867 -3.138 220 HA VAL 31 HA VAL 31 10.708 1.182 -1.215 221 HB VAL 31 HB VAL 31 11.067 -1.808 -0.984 222 HG11 VAL 31 1HG1 VAL 31 11.927 0.514 0.593 223 HG12 VAL 31 2HG1 VAL 31 11.189 -0.788 1.529 224 HG13 VAL 31 3HG1 VAL 31 12.593 -1.117 0.513 225 HG21 VAL 31 1HG2 VAL 31 8.730 -0.203 -0.567 226 HG22 VAL 31 2HG2 VAL 31 8.931 -1.945 -0.382 227 HG23 VAL 31 3HG2 VAL 31 9.278 -0.870 0.971 228 H LYS 32 H LYS 32 12.917 1.475 -0.815 229 HA LYS 32 HA LYS 32 14.603 1.082 -3.100 230 HB2 LYS 32 1HB LYS 32 14.602 3.094 -1.530 231 HB3 LYS 32 2HB LYS 32 15.474 2.077 -0.391 232 HG2 LYS 32 1HG LYS 32 17.230 3.093 -1.407 233 HG3 LYS 32 2HG LYS 32 17.049 1.702 -2.478 234 HD2 LYS 32 1HD LYS 32 15.377 3.365 -3.709 235 HD3 LYS 32 2HD LYS 32 16.426 4.566 -2.951 236 HE2 LYS 32 1HE LYS 32 17.671 2.281 -4.401 237 HE3 LYS 32 2HE LYS 32 16.962 3.594 -5.339 238 HZ1 LYS 32 1HZ LYS 32 18.574 5.015 -4.733 239 HZ2 LYS 32 2HZ LYS 32 19.465 3.608 -4.441 240 HZ3 LYS 32 3HZ LYS 32 18.698 4.403 -3.161 241 H ALA 33 H ALA 33 15.872 -0.599 -3.501 242 HA ALA 33 HA ALA 33 16.750 -2.272 -1.239 243 HB1 ALA 33 1HB ALA 33 15.067 -3.031 -3.354 244 HB2 ALA 33 2HB ALA 33 16.629 -3.788 -3.668 245 HB3 ALA 33 3HB ALA 33 15.805 -4.069 -2.134 246 H GLU 34 H GLU 34 18.739 -3.489 -1.634 247 HA GLU 34 HA GLU 34 20.498 -2.176 -3.598 248 HB2 GLU 34 1HB GLU 34 21.208 -3.018 -0.782 249 HB3 GLU 34 2HB GLU 34 22.346 -2.392 -1.968 250 HG2 GLU 34 1HG GLU 34 20.985 -0.298 -2.045 251 HG3 GLU 34 2HG GLU 34 20.047 -0.932 -0.695 252 H ASP 35 H ASP 35 19.973 -5.063 -1.608 253 HA ASP 35 HA ASP 35 21.786 -6.620 -3.260 254 HB2 ASP 35 1HB ASP 35 20.349 -7.039 -0.689 255 HB3 ASP 35 2HB ASP 35 20.734 -8.470 -1.642 256 H LEU 36 H LEU 36 20.958 -8.868 -3.915 257 HA LEU 36 HA LEU 36 18.357 -8.517 -5.247 258 HB2 LEU 36 1HB LEU 36 20.555 -10.407 -6.053 259 HB3 LEU 36 2HB LEU 36 19.124 -9.961 -6.980 260 HG LEU 36 HG LEU 36 21.497 -8.202 -6.365 261 HD11 LEU 36 1HD1 LEU 36 22.218 -8.558 -8.487 262 HD12 LEU 36 2HD1 LEU 36 20.595 -8.838 -9.115 263 HD13 LEU 36 3HD1 LEU 36 21.423 -10.108 -8.215 264 HD21 LEU 36 1HD2 LEU 36 20.212 -6.438 -6.757 265 HD22 LEU 36 2HD2 LEU 36 18.803 -7.487 -6.916 266 HD23 LEU 36 3HD2 LEU 36 19.779 -7.099 -8.334 267 H LEU 37 H LEU 37 20.346 -10.718 -3.365 268 HA LEU 37 HA LEU 37 18.714 -12.987 -3.462 269 HB2 LEU 37 1HB LEU 37 20.630 -11.954 -1.394 270 HB3 LEU 37 2HB LEU 37 19.769 -13.478 -1.189 271 HG LEU 37 HG LEU 37 22.030 -13.855 -1.996 272 HD11 LEU 37 1HD1 LEU 37 20.219 -15.369 -2.695 273 HD12 LEU 37 2HD1 LEU 37 21.510 -15.263 -3.891 274 HD13 LEU 37 3HD1 LEU 37 19.994 -14.401 -4.152 275 HD21 LEU 37 1HD2 LEU 37 22.255 -11.668 -3.164 276 HD22 LEU 37 2HD2 LEU 37 21.237 -12.303 -4.456 277 HD23 LEU 37 3HD2 LEU 37 22.800 -13.048 -4.117 278 H ARG 38 H ARG 38 18.597 -10.137 -1.392 279 HA ARG 38 HA ARG 38 16.346 -11.210 0.107 280 HB2 ARG 38 1HB ARG 38 17.840 -8.591 0.309 281 HB3 ARG 38 2HB ARG 38 16.492 -9.040 1.345 282 HG2 ARG 38 1HG ARG 38 18.786 -10.913 1.167 283 HG3 ARG 38 2HG ARG 38 19.002 -9.412 2.070 284 HD2 ARG 38 1HD ARG 38 17.185 -9.940 3.524 285 HD3 ARG 38 2HD ARG 38 16.712 -11.313 2.524 286 HE ARG 38 HE ARG 38 18.849 -11.224 4.469 287 HH11 ARG 38 2HH1 ARG 38 17.464 -12.885 1.741 288 HH12 ARG 38 1HH1 ARG 38 18.240 -14.392 2.098 289 HH21 ARG 38 2HH2 ARG 38 19.877 -13.203 4.950 290 HH22 ARG 38 1HH2 ARG 38 19.612 -14.572 3.924 291 H LYS 39 H LYS 39 14.290 -10.839 -0.392 292 HA LYS 39 HA LYS 39 13.677 -8.633 -2.248 293 HB2 LYS 39 1HB LYS 39 13.347 -10.782 -3.332 294 HB3 LYS 39 2HB LYS 39 12.346 -11.336 -1.997 295 HG2 LYS 39 1HG LYS 39 10.537 -10.117 -2.661 296 HG3 LYS 39 2HG LYS 39 11.520 -8.874 -3.439 297 HD2 LYS 39 1HD LYS 39 10.709 -9.914 -5.299 298 HD3 LYS 39 2HD LYS 39 12.146 -10.903 -5.031 299 HE2 LYS 39 1HE LYS 39 9.642 -11.713 -3.660 300 HE3 LYS 39 2HE LYS 39 9.732 -11.959 -5.404 301 HZ1 LYS 39 1HZ LYS 39 11.199 -13.278 -3.264 302 HZ2 LYS 39 2HZ LYS 39 12.069 -12.958 -4.679 303 HZ3 LYS 39 3HZ LYS 39 10.660 -13.892 -4.746 304 HA PRO 40 HA PRO 40 11.378 -7.250 1.351 305 HB2 PRO 40 1HB PRO 40 10.743 -4.827 0.304 306 HB3 PRO 40 2HB PRO 40 12.327 -5.187 1.001 307 HG2 PRO 40 1HG PRO 40 11.488 -5.142 -1.872 308 HG3 PRO 40 2HG PRO 40 12.966 -4.506 -1.128 309 HD2 PRO 40 1HD PRO 40 12.898 -6.875 -2.437 310 HD3 PRO 40 2HD PRO 40 13.972 -6.578 -1.056 311 H THR 41 H THR 41 9.488 -8.337 1.482 312 HA THR 41 HA THR 41 7.533 -8.213 -0.652 313 HB THR 41 HB THR 41 7.427 -9.586 2.040 314 HG1 THR 41 1HG THR 41 8.930 -10.498 0.567 315 HG21 THR 41 1HG2 THR 41 5.237 -9.821 1.691 316 HG22 THR 41 2HG2 THR 41 5.619 -10.767 0.252 317 HG23 THR 41 3HG2 THR 41 5.355 -9.028 0.120 318 H ILE 42 H ILE 42 5.527 -7.248 -0.557 319 HA ILE 42 HA ILE 42 5.146 -5.336 1.653 320 HB ILE 42 HB ILE 42 5.524 -4.236 -0.502 321 HG12 ILE 42 1HG1 ILE 42 2.606 -3.946 0.200 322 HG13 ILE 42 2HG1 ILE 42 3.885 -3.367 1.262 323 HG21 ILE 42 1HG2 ILE 42 4.192 -6.322 -1.608 324 HG22 ILE 42 2HG2 ILE 42 2.957 -5.065 -1.658 325 HG23 ILE 42 3HG2 ILE 42 4.519 -4.798 -2.432 326 HD11 ILE 42 1HD1 ILE 42 3.999 -1.492 0.105 327 HD12 ILE 42 2HD1 ILE 42 4.394 -2.398 -1.356 328 HD13 ILE 42 3HD1 ILE 42 2.709 -2.069 -0.950 329 H LYS 43 H LYS 43 3.314 -5.409 2.809 330 HA LYS 43 HA LYS 43 1.201 -7.254 1.903 331 HB2 LYS 43 1HB LYS 43 2.577 -7.857 3.989 332 HB3 LYS 43 2HB LYS 43 1.725 -6.538 4.781 333 HG2 LYS 43 1HG LYS 43 0.370 -8.262 5.364 334 HG3 LYS 43 2HG LYS 43 -0.390 -7.810 3.836 335 HD2 LYS 43 1HD LYS 43 -0.189 -10.066 3.519 336 HD3 LYS 43 2HD LYS 43 1.361 -9.534 2.863 337 HE2 LYS 43 1HE LYS 43 1.605 -11.461 4.366 338 HE3 LYS 43 2HE LYS 43 2.455 -10.039 4.968 339 HZ1 LYS 43 1HZ LYS 43 -0.205 -10.127 5.956 340 HZ2 LYS 43 2HZ LYS 43 1.252 -10.074 6.814 341 HZ3 LYS 43 3HZ LYS 43 0.610 -11.562 6.328 342 H TRP 44 H TRP 44 -0.720 -6.379 1.517 343 HA TRP 44 HA TRP 44 -1.209 -3.624 2.365 344 HB2 TRP 44 1HB TRP 44 -2.845 -5.326 0.474 345 HB3 TRP 44 2HB TRP 44 -2.962 -3.583 0.704 346 HD1 TRP 44 HD TRP 44 -0.435 -6.195 -0.637 347 HE1 TRP 44 1HE TRP 44 0.993 -5.059 -2.452 348 HE3 TRP 44 3HE TRP 44 -2.270 -1.439 -0.255 349 HZ2 TRP 44 2HZ TRP 44 1.301 -2.487 -3.573 350 HZ3 TRP 44 3HZ TRP 44 -1.355 0.301 -1.735 351 HH2 TRP 44 HH TRP 44 0.394 -0.214 -3.358 352 H PHE 45 H PHE 45 -2.455 -3.179 4.050 353 HA PHE 45 HA PHE 45 -4.409 -5.205 4.924 354 HB2 PHE 45 1HB PHE 45 -2.621 -3.396 6.538 355 HB3 PHE 45 2HB PHE 45 -4.063 -4.130 7.232 356 HD1 PHE 45 1HD PHE 45 -4.235 -6.616 7.345 357 HD2 PHE 45 2HD PHE 45 -0.633 -4.625 6.261 358 HE1 PHE 45 1HE PHE 45 -2.960 -8.664 7.831 359 HE2 PHE 45 2HE PHE 45 0.647 -6.670 6.744 360 HZ PHE 45 HZ PHE 45 -0.516 -8.693 7.529 361 H LYS 46 H LYS 46 -6.265 -4.315 6.143 362 HA LYS 46 HA LYS 46 -6.903 -1.524 5.642 363 HB2 LYS 46 1HB LYS 46 -7.773 -2.311 3.624 364 HB3 LYS 46 2HB LYS 46 -8.306 -3.830 4.333 365 HG2 LYS 46 1HG LYS 46 -10.252 -2.950 5.106 366 HG3 LYS 46 2HG LYS 46 -9.565 -1.340 5.332 367 HD2 LYS 46 1HD LYS 46 -9.435 -1.293 2.748 368 HD3 LYS 46 2HD LYS 46 -10.593 -2.624 2.826 369 HE2 LYS 46 1HE LYS 46 -10.965 0.084 4.104 370 HE3 LYS 46 2HE LYS 46 -11.677 -0.420 2.571 371 HZ1 LYS 46 1HZ LYS 46 -12.237 -2.308 4.612 372 HZ2 LYS 46 2HZ LYS 46 -13.312 -1.434 3.642 373 HZ3 LYS 46 3HZ LYS 46 -12.742 -0.765 5.088 374 H GLY 47 H GLY 47 -8.672 -0.748 6.886 375 HA2 GLY 47 1HA GLY 47 -10.121 -0.697 8.676 376 HA3 GLY 47 2HA GLY 47 -10.184 -2.452 8.602 377 H LYS 48 H LYS 48 -9.808 -3.149 10.606 378 HA LYS 48 HA LYS 48 -7.633 -1.910 12.145 379 HB2 LYS 48 1HB LYS 48 -9.976 -2.066 13.113 380 HB3 LYS 48 2HB LYS 48 -9.737 -3.807 13.185 381 HG2 LYS 48 1HG LYS 48 -7.887 -3.537 14.705 382 HG3 LYS 48 2HG LYS 48 -7.983 -1.780 14.558 383 HD2 LYS 48 1HD LYS 48 -10.441 -2.130 15.362 384 HD3 LYS 48 2HD LYS 48 -9.826 -3.673 15.959 385 HE2 LYS 48 1HE LYS 48 -8.018 -2.371 17.131 386 HE3 LYS 48 2HE LYS 48 -8.896 -0.905 16.697 387 HZ1 LYS 48 1HZ LYS 48 -10.732 -2.643 17.846 388 HZ2 LYS 48 2HZ LYS 48 -10.133 -1.199 18.491 389 HZ3 LYS 48 3HZ LYS 48 -9.366 -2.664 18.845 390 H TRP 49 H TRP 49 -8.935 -5.063 11.177 391 HA TRP 49 HA TRP 49 -6.248 -6.194 11.593 392 HB2 TRP 49 1HB TRP 49 -8.811 -7.737 12.005 393 HB3 TRP 49 2HB TRP 49 -7.173 -8.236 12.419 394 HD1 TRP 49 HD TRP 49 -10.146 -6.388 13.788 395 HE1 TRP 49 1HE TRP 49 -9.638 -5.587 16.180 396 HE3 TRP 49 3HE TRP 49 -5.127 -7.353 13.918 397 HZ2 TRP 49 2HZ TRP 49 -7.405 -5.389 17.895 398 HZ3 TRP 49 3HZ TRP 49 -3.878 -6.828 15.972 399 HH2 TRP 49 HH TRP 49 -4.995 -5.866 17.918 400 H MET 50 H MET 50 -9.152 -6.048 9.676 401 HA MET 50 HA MET 50 -8.978 -8.114 7.933 402 HB2 MET 50 1HB MET 50 -10.519 -5.991 7.958 403 HB3 MET 50 2HB MET 50 -9.357 -5.371 6.793 404 HG2 MET 50 1HG MET 50 -9.762 -7.403 5.413 405 HG3 MET 50 2HG MET 50 -11.044 -7.846 6.538 406 HE1 MET 50 1HE MET 50 -10.501 -4.458 3.773 407 HE2 MET 50 2HE MET 50 -9.704 -6.030 3.830 408 HE3 MET 50 3HE MET 50 -11.167 -5.817 2.866 409 H ASP 51 H ASP 51 -7.630 -8.838 6.399 410 HA ASP 51 HA ASP 51 -5.340 -7.129 5.675 411 HB2 ASP 51 1HB ASP 51 -4.755 -9.109 7.076 412 HB3 ASP 51 2HB ASP 51 -5.386 -10.151 5.804 413 H LEU 52 H LEU 52 -5.781 -6.335 3.711 414 HA LEU 52 HA LEU 52 -7.448 -7.334 1.774 415 HB2 LEU 52 1HB LEU 52 -4.871 -5.894 1.189 416 HB3 LEU 52 2HB LEU 52 -6.331 -5.919 0.202 417 HG LEU 52 HG LEU 52 -6.127 -4.638 2.926 418 HD11 LEU 52 1HD1 LEU 52 -4.778 -3.290 1.603 419 HD12 LEU 52 2HD1 LEU 52 -6.362 -2.529 1.463 420 HD13 LEU 52 3HD1 LEU 52 -5.758 -3.553 0.160 421 HD21 LEU 52 1HD2 LEU 52 -8.237 -3.488 1.921 422 HD22 LEU 52 2HD2 LEU 52 -8.370 -5.090 2.646 423 HD23 LEU 52 3HD2 LEU 52 -8.296 -4.919 0.892 424 H ALA 53 H ALA 53 -4.007 -8.032 2.232 425 HA ALA 53 HA ALA 53 -3.338 -9.433 0.015 426 HB1 ALA 53 1HB ALA 53 -2.464 -9.396 2.755 427 HB2 ALA 53 2HB ALA 53 -2.347 -11.025 2.089 428 HB3 ALA 53 3HB ALA 53 -1.533 -9.683 1.284 429 H SER 54 H SER 54 -5.320 -10.617 2.692 430 HA SER 54 HA SER 54 -5.569 -13.262 1.619 431 HB2 SER 54 1HB SER 54 -5.764 -12.776 4.047 432 HB3 SER 54 2HB SER 54 -7.257 -11.894 3.729 433 HG SER 54 HG SER 54 -6.800 -14.601 3.846 434 H LYS 55 H LYS 55 -7.396 -10.286 1.429 435 HA LYS 55 HA LYS 55 -9.765 -11.405 0.330 436 HB2 LYS 55 1HB LYS 55 -8.717 -8.584 0.037 437 HB3 LYS 55 2HB LYS 55 -10.375 -9.115 -0.214 438 HG2 LYS 55 1HG LYS 55 -8.944 -9.338 2.421 439 HG3 LYS 55 2HG LYS 55 -9.939 -7.955 1.958 440 HD2 LYS 55 1HD LYS 55 -11.857 -9.472 1.649 441 HD3 LYS 55 2HD LYS 55 -10.854 -10.824 2.180 442 HE2 LYS 55 1HE LYS 55 -10.535 -9.725 4.347 443 HE3 LYS 55 2HE LYS 55 -11.544 -8.382 3.813 444 HZ1 LYS 55 1HZ LYS 55 -13.319 -10.140 3.444 445 HZ2 LYS 55 2HZ LYS 55 -12.956 -9.744 5.048 446 HZ3 LYS 55 3HZ LYS 55 -12.350 -11.171 4.371 447 H ALA 56 H ALA 56 -6.752 -10.251 -1.032 448 HA ALA 56 HA ALA 56 -7.447 -9.938 -3.695 449 HB1 ALA 56 1HB ALA 56 -5.013 -10.271 -2.186 450 HB2 ALA 56 2HB ALA 56 -4.912 -11.096 -3.742 451 HB3 ALA 56 3HB ALA 56 -5.297 -9.376 -3.679 452 H GLY 57 H GLY 57 -8.622 -11.344 -4.842 453 HA2 GLY 57 1HA GLY 57 -7.564 -14.021 -5.252 454 HA3 GLY 57 2HA GLY 57 -9.165 -13.943 -4.532 455 H LYS 58 H LYS 58 -10.481 -12.054 -5.834 456 HA LYS 58 HA LYS 58 -10.181 -12.629 -8.700 457 HB2 LYS 58 1HB LYS 58 -11.923 -14.109 -7.836 458 HB3 LYS 58 2HB LYS 58 -12.763 -12.735 -7.129 459 HG2 LYS 58 1HG LYS 58 -13.522 -11.977 -9.162 460 HG3 LYS 58 2HG LYS 58 -12.223 -12.766 -10.060 461 HD2 LYS 58 1HD LYS 58 -14.171 -14.005 -10.542 462 HD3 LYS 58 2HD LYS 58 -13.278 -14.968 -9.363 463 HE2 LYS 58 1HE LYS 58 -14.717 -14.247 -7.590 464 HE3 LYS 58 2HE LYS 58 -15.509 -13.074 -8.642 465 HZ1 LYS 58 1HZ LYS 58 -15.594 -15.806 -9.586 466 HZ2 LYS 58 2HZ LYS 58 -16.816 -14.639 -9.537 467 HZ3 LYS 58 3HZ LYS 58 -16.445 -15.533 -8.150 468 H HIS 59 H HIS 59 -12.231 -10.725 -6.481 469 HA HIS 59 HA HIS 59 -12.586 -8.593 -8.315 470 HB2 HIS 59 1HB HIS 59 -12.996 -8.766 -5.327 471 HB3 HIS 59 2HB HIS 59 -13.427 -7.352 -6.284 472 HD1 HIS 59 1HD HIS 59 -15.553 -7.481 -7.687 473 HD2 HIS 59 2HD HIS 59 -14.633 -11.040 -5.750 474 HE1 HIS 59 1HE HIS 59 -17.592 -8.931 -7.940 475 HE2 HIS 59 2HE HIS 59 -17.044 -11.046 -6.687 476 H LEU 60 H LEU 60 -10.179 -9.314 -5.905 477 HA LEU 60 HA LEU 60 -8.850 -6.756 -6.518 478 HB2 LEU 60 1HB LEU 60 -9.461 -6.676 -4.242 479 HB3 LEU 60 2HB LEU 60 -8.955 -8.342 -3.969 480 HG LEU 60 HG LEU 60 -6.588 -7.296 -4.633 481 HD11 LEU 60 1HD1 LEU 60 -8.294 -5.016 -4.224 482 HD12 LEU 60 2HD1 LEU 60 -6.613 -5.082 -4.752 483 HD13 LEU 60 3HD1 LEU 60 -6.995 -5.048 -3.031 484 HD21 LEU 60 1HD2 LEU 60 -7.194 -6.650 -1.866 485 HD22 LEU 60 2HD2 LEU 60 -6.097 -7.860 -2.533 486 HD23 LEU 60 3HD2 LEU 60 -7.811 -8.232 -2.343 487 H GLN 61 H GLN 61 -6.655 -6.780 -6.940 488 HA GLN 61 HA GLN 61 -5.209 -9.299 -6.837 489 HB2 GLN 61 1HB GLN 61 -5.648 -7.794 -9.422 490 HB3 GLN 61 2HB GLN 61 -4.517 -9.125 -9.213 491 HG2 GLN 61 1HG GLN 61 -7.406 -9.500 -8.564 492 HG3 GLN 61 2HG GLN 61 -6.853 -9.565 -10.236 493 HE21 GLN 61 1HE2 GLN 61 -7.202 -11.253 -7.335 494 HE22 GLN 61 2HE2 GLN 61 -6.345 -12.687 -7.777 495 H LEU 62 H LEU 62 -3.214 -8.932 -6.136 496 HA LEU 62 HA LEU 62 -2.202 -6.200 -6.114 497 HB2 LEU 62 1HB LEU 62 -0.914 -8.626 -4.891 498 HB3 LEU 62 2HB LEU 62 -0.633 -6.932 -4.494 499 HG LEU 62 HG LEU 62 -3.178 -8.451 -3.925 500 HD11 LEU 62 1HD1 LEU 62 -1.251 -9.225 -2.592 501 HD12 LEU 62 2HD1 LEU 62 -2.486 -8.431 -1.615 502 HD13 LEU 62 3HD1 LEU 62 -1.004 -7.571 -2.031 503 HD21 LEU 62 1HD2 LEU 62 -3.954 -6.540 -2.824 504 HD22 LEU 62 2HD2 LEU 62 -3.266 -5.925 -4.327 505 HD23 LEU 62 3HD2 LEU 62 -2.361 -5.783 -2.819 506 H LYS 63 H LYS 63 0.156 -5.877 -6.547 507 HA LYS 63 HA LYS 63 1.211 -7.675 -8.608 508 HB2 LYS 63 1HB LYS 63 -0.057 -5.452 -9.397 509 HB3 LYS 63 2HB LYS 63 1.528 -4.757 -9.083 510 HG2 LYS 63 1HG LYS 63 2.510 -5.856 -10.813 511 HG3 LYS 63 2HG LYS 63 1.412 -7.235 -10.708 512 HD2 LYS 63 1HD LYS 63 0.320 -4.586 -11.532 513 HD3 LYS 63 2HD LYS 63 1.256 -5.521 -12.701 514 HE2 LYS 63 1HE LYS 63 -1.141 -5.977 -12.892 515 HE3 LYS 63 2HE LYS 63 -0.244 -7.415 -12.409 516 HZ1 LYS 63 1HZ LYS 63 -0.969 -7.148 -10.173 517 HZ2 LYS 63 2HZ LYS 63 -2.339 -7.045 -11.159 518 HZ3 LYS 63 3HZ LYS 63 -1.664 -5.640 -10.501 519 H GLU 64 H GLU 64 3.449 -7.735 -8.765 520 HA GLU 64 HA GLU 64 5.058 -5.944 -7.151 521 HB2 GLU 64 1HB GLU 64 4.652 -7.451 -5.412 522 HB3 GLU 64 2HB GLU 64 4.663 -8.843 -6.486 523 HG2 GLU 64 1HG GLU 64 6.958 -8.952 -6.548 524 HG3 GLU 64 2HG GLU 64 7.156 -7.253 -6.123 525 H THR 65 H THR 65 6.905 -5.528 -8.169 526 HA THR 65 HA THR 65 8.080 -7.561 -9.922 527 HB THR 65 HB THR 65 6.667 -6.003 -11.303 528 HG1 THR 65 1HG THR 65 8.418 -5.640 -12.825 529 HG21 THR 65 1HG2 THR 65 8.646 -4.020 -10.215 530 HG22 THR 65 2HG2 THR 65 6.887 -3.906 -10.273 531 HG23 THR 65 3HG2 THR 65 7.830 -3.762 -11.757 532 H PHE 66 H PHE 66 10.306 -6.888 -10.659 533 HA PHE 66 HA PHE 66 11.637 -5.149 -8.702 534 HB2 PHE 66 1HB PHE 66 12.025 -7.350 -7.849 535 HB3 PHE 66 2HB PHE 66 12.428 -7.965 -9.449 536 HD1 PHE 66 1HD PHE 66 13.572 -5.622 -6.812 537 HD2 PHE 66 2HD PHE 66 14.633 -7.973 -10.198 538 HE1 PHE 66 1HE PHE 66 15.950 -5.160 -6.383 539 HE2 PHE 66 2HE PHE 66 17.013 -7.515 -9.774 540 HZ PHE 66 HZ PHE 66 17.675 -6.107 -7.864 541 H GLU 67 H GLU 67 13.422 -4.037 -9.450 542 HA GLU 67 HA GLU 67 14.105 -4.404 -12.289 543 HB2 GLU 67 1HB GLU 67 13.324 -1.908 -10.837 544 HB3 GLU 67 2HB GLU 67 14.473 -1.803 -12.164 545 HG2 GLU 67 1HG GLU 67 12.759 -3.046 -13.556 546 HG3 GLU 67 2HG GLU 67 11.623 -2.735 -12.244 547 H ARG 68 H ARG 68 16.018 -5.466 -11.858 548 HA ARG 68 HA ARG 68 17.903 -4.904 -9.931 549 HB2 ARG 68 1HB ARG 68 19.547 -5.744 -11.828 550 HB3 ARG 68 2HB ARG 68 18.408 -6.836 -11.052 551 HG2 ARG 68 1HG ARG 68 17.452 -5.417 -13.461 552 HG3 ARG 68 2HG ARG 68 18.687 -6.656 -13.697 553 HD2 ARG 68 1HD ARG 68 16.373 -7.314 -11.956 554 HD3 ARG 68 2HD ARG 68 16.092 -7.222 -13.694 555 HE ARG 68 HE ARG 68 18.349 -8.845 -12.902 556 HH11 ARG 68 2HH1 ARG 68 14.948 -8.755 -13.641 557 HH12 ARG 68 1HH1 ARG 68 14.853 -10.443 -14.021 558 HH21 ARG 68 2HH2 ARG 68 18.236 -11.068 -13.400 559 HH22 ARG 68 1HH2 ARG 68 16.724 -11.758 -13.883 560 H HIS 69 H HIS 69 17.376 -3.319 -13.020 561 HA HIS 69 HA HIS 69 19.616 -1.907 -13.504 562 HB2 HIS 69 1HB HIS 69 17.084 -0.325 -13.460 563 HB3 HIS 69 2HB HIS 69 18.335 -0.402 -14.696 564 HD1 HIS 69 1HD HIS 69 18.283 -3.522 -15.067 565 HD2 HIS 69 2HD HIS 69 14.955 -1.035 -15.044 566 HE1 HIS 69 1HE HIS 69 16.504 -4.767 -16.337 567 HE2 HIS 69 2HE HIS 69 14.528 -3.206 -16.383 568 H SER 70 H SER 70 17.071 -0.685 -11.318 569 HA SER 70 HA SER 70 19.083 1.045 -10.062 570 HB2 SER 70 1HB SER 70 17.276 2.411 -9.284 571 HB3 SER 70 2HB SER 70 16.948 2.047 -10.978 572 HG SER 70 HG SER 70 15.271 0.872 -10.417 573 H ARG 71 H ARG 71 17.603 -1.890 -9.611 574 HA ARG 71 HA ARG 71 17.535 -3.355 -7.871 575 HB2 ARG 71 1HB ARG 71 19.173 -1.280 -6.403 576 HB3 ARG 71 2HB ARG 71 18.968 -2.963 -5.935 577 HG2 ARG 71 1HG ARG 71 19.941 -3.390 -8.350 578 HG3 ARG 71 2HG ARG 71 20.617 -1.779 -8.099 579 HD2 ARG 71 1HD ARG 71 21.290 -2.826 -5.764 580 HD3 ARG 71 2HD ARG 71 21.185 -4.329 -6.679 581 HE ARG 71 HE ARG 71 23.138 -3.771 -7.715 582 HH11 ARG 71 2HH1 ARG 71 21.738 -0.891 -6.351 583 HH12 ARG 71 1HH1 ARG 71 23.097 0.111 -6.741 584 HH21 ARG 71 2HH2 ARG 71 24.933 -2.462 -8.234 585 HH22 ARG 71 1HH2 ARG 71 24.913 -0.783 -7.813 586 H VAL 72 H VAL 72 15.316 -1.834 -8.206 587 HA VAL 72 HA VAL 72 14.407 -1.452 -5.437 588 HB VAL 72 HB VAL 72 13.760 0.379 -7.751 589 HG11 VAL 72 1HG1 VAL 72 11.919 -0.212 -6.024 590 HG12 VAL 72 2HG1 VAL 72 12.856 0.811 -4.932 591 HG13 VAL 72 3HG1 VAL 72 12.209 1.480 -6.431 592 HG21 VAL 72 1HG2 VAL 72 16.000 0.516 -6.390 593 HG22 VAL 72 2HG2 VAL 72 15.101 1.979 -6.792 594 HG23 VAL 72 3HG2 VAL 72 14.969 1.278 -5.179 595 H TYR 73 H TYR 73 12.524 -2.418 -4.971 596 HA TYR 73 HA TYR 73 11.198 -3.911 -7.085 597 HB2 TYR 73 1HB TYR 73 10.842 -3.921 -4.083 598 HB3 TYR 73 2HB TYR 73 9.932 -4.943 -5.190 599 HD1 TYR 73 2HD TYR 73 13.445 -4.114 -4.241 600 HD2 TYR 73 1HD TYR 73 10.740 -7.056 -5.699 601 HE1 TYR 73 2HE TYR 73 15.235 -5.798 -4.146 602 HE2 TYR 73 1HE TYR 73 12.522 -8.749 -5.607 603 HH TYR 73 HH TYR 73 15.764 -7.989 -5.273 604 H THR 74 H THR 74 9.458 -3.186 -8.095 605 HA THR 74 HA THR 74 7.954 -0.961 -6.923 606 HB THR 74 HB THR 74 7.841 -2.036 -9.748 607 HG1 THR 74 1HG THR 74 9.098 -0.150 -10.211 608 HG21 THR 74 1HG2 THR 74 6.901 0.383 -10.050 609 HG22 THR 74 2HG2 THR 74 6.524 0.247 -8.332 610 HG23 THR 74 3HG2 THR 74 5.841 -0.904 -9.480 611 H PHE 75 H PHE 75 6.334 -1.654 -5.668 612 HA PHE 75 HA PHE 75 4.736 -3.951 -6.558 613 HB2 PHE 75 1HB PHE 75 4.509 -2.662 -3.852 614 HB3 PHE 75 2HB PHE 75 4.113 -4.311 -4.325 615 HD1 PHE 75 1HD PHE 75 6.019 -5.869 -4.932 616 HD2 PHE 75 2HD PHE 75 6.599 -2.140 -2.963 617 HE1 PHE 75 1HE PHE 75 8.233 -6.622 -4.166 618 HE2 PHE 75 2HE PHE 75 8.814 -2.886 -2.194 619 HZ PHE 75 HZ PHE 75 9.634 -5.129 -2.796 620 H GLU 76 H GLU 76 2.482 -3.835 -6.670 621 HA GLU 76 HA GLU 76 1.254 -1.194 -6.383 622 HB2 GLU 76 1HB GLU 76 0.871 -2.888 -8.854 623 HB3 GLU 76 2HB GLU 76 0.224 -1.280 -8.557 624 HG2 GLU 76 1HG GLU 76 2.317 -0.266 -8.797 625 HG3 GLU 76 2HG GLU 76 3.173 -1.798 -8.630 626 H MET 77 H MET 77 -1.188 -1.365 -6.689 627 HA MET 77 HA MET 77 -2.202 -3.974 -5.806 628 HB2 MET 77 1HB MET 77 -1.910 -2.593 -3.805 629 HB3 MET 77 2HB MET 77 -2.876 -1.316 -4.532 630 HG2 MET 77 1HG MET 77 -4.850 -2.511 -4.319 631 HG3 MET 77 2HG MET 77 -4.013 -4.053 -4.155 632 HE1 MET 77 1HE MET 77 -5.718 -1.155 -1.862 633 HE2 MET 77 2HE MET 77 -4.224 -0.739 -1.023 634 HE3 MET 77 3HE MET 77 -4.321 -0.590 -2.779 635 H GLN 78 H GLN 78 -3.353 -4.498 -7.584 636 HA GLN 78 HA GLN 78 -5.022 -2.504 -8.888 637 HB2 GLN 78 1HB GLN 78 -3.576 -4.564 -9.892 638 HB3 GLN 78 2HB GLN 78 -5.159 -5.320 -9.772 639 HG2 GLN 78 1HG GLN 78 -6.113 -3.482 -11.098 640 HG3 GLN 78 2HG GLN 78 -4.500 -2.789 -11.260 641 HE21 GLN 78 1HE2 GLN 78 -2.896 -4.783 -11.850 642 HE22 GLN 78 2HE2 GLN 78 -3.377 -5.599 -13.294 643 H ILE 79 H ILE 79 -6.962 -2.113 -8.060 644 HA ILE 79 HA ILE 79 -8.433 -4.310 -6.777 645 HB ILE 79 HB ILE 79 -8.955 -1.341 -6.592 646 HG12 ILE 79 1HG1 ILE 79 -7.289 -3.217 -4.983 647 HG13 ILE 79 2HG1 ILE 79 -7.015 -1.522 -5.369 648 HG21 ILE 79 1HG2 ILE 79 -10.959 -2.668 -6.258 649 HG22 ILE 79 2HG2 ILE 79 -10.124 -3.665 -5.069 650 HG23 ILE 79 3HG2 ILE 79 -10.432 -1.962 -4.730 651 HD11 ILE 79 1HD1 ILE 79 -8.823 -0.935 -3.771 652 HD12 ILE 79 2HD1 ILE 79 -8.901 -2.637 -3.312 653 HD13 ILE 79 3HD1 ILE 79 -7.425 -1.714 -3.031 654 H ILE 80 H ILE 80 -9.896 -5.278 -8.005 655 HA ILE 80 HA ILE 80 -11.157 -3.782 -10.190 656 HB ILE 80 HB ILE 80 -11.444 -6.740 -9.747 657 HG12 ILE 80 1HG1 ILE 80 -9.514 -6.612 -11.636 658 HG13 ILE 80 2HG1 ILE 80 -9.067 -5.221 -10.654 659 HG21 ILE 80 1HG2 ILE 80 -11.253 -6.049 -12.463 660 HG22 ILE 80 2HG2 ILE 80 -12.688 -6.561 -11.575 661 HG23 ILE 80 3HG2 ILE 80 -12.303 -4.846 -11.715 662 HD11 ILE 80 1HD1 ILE 80 -9.532 -7.942 -9.481 663 HD12 ILE 80 2HD1 ILE 80 -7.961 -7.409 -10.080 664 HD13 ILE 80 3HD1 ILE 80 -8.733 -6.553 -8.746 665 H LYS 81 H LYS 81 -13.270 -3.298 -10.204 666 HA LYS 81 HA LYS 81 -15.434 -3.081 -9.539 667 HB2 LYS 81 1HB LYS 81 -14.971 -5.758 -8.211 668 HB3 LYS 81 2HB LYS 81 -16.538 -5.011 -8.492 669 HG2 LYS 81 1HG LYS 81 -15.654 -5.004 -10.995 670 HG3 LYS 81 2HG LYS 81 -14.710 -6.365 -10.386 671 HD2 LYS 81 1HD LYS 81 -16.951 -7.214 -9.438 672 HD3 LYS 81 2HD LYS 81 -17.690 -6.059 -10.549 673 HE2 LYS 81 1HE LYS 81 -15.624 -7.953 -11.570 674 HE3 LYS 81 2HE LYS 81 -17.261 -8.540 -11.281 675 HZ1 LYS 81 1HZ LYS 81 -17.110 -6.057 -12.750 676 HZ2 LYS 81 2HZ LYS 81 -18.054 -7.430 -13.039 677 HZ3 LYS 81 3HZ LYS 81 -16.444 -7.386 -13.557 678 H ALA 82 H ALA 82 -13.628 -1.684 -8.066 679 HA ALA 82 HA ALA 82 -13.514 -2.043 -5.335 680 HB1 ALA 82 1HB ALA 82 -12.499 -0.059 -5.352 681 HB2 ALA 82 2HB ALA 82 -12.759 -0.061 -7.097 682 HB3 ALA 82 3HB ALA 82 -13.911 0.748 -6.035 683 H LYS 83 H LYS 83 -15.275 -2.665 -4.208 684 HA LYS 83 HA LYS 83 -17.857 -1.448 -4.637 685 HB2 LYS 83 1HB LYS 83 -17.136 -3.272 -2.355 686 HB3 LYS 83 2HB LYS 83 -18.706 -3.039 -3.112 687 HG2 LYS 83 1HG LYS 83 -18.104 -4.284 -5.004 688 HG3 LYS 83 2HG LYS 83 -16.384 -4.205 -4.612 689 HD2 LYS 83 1HD LYS 83 -17.110 -5.468 -2.447 690 HD3 LYS 83 2HD LYS 83 -18.534 -5.893 -3.399 691 HE2 LYS 83 1HE LYS 83 -17.015 -6.771 -5.162 692 HE3 LYS 83 2HE LYS 83 -15.653 -6.462 -4.087 693 HZ1 LYS 83 1HZ LYS 83 -16.577 -8.003 -2.496 694 HZ2 LYS 83 2HZ LYS 83 -16.402 -8.771 -3.993 695 HZ3 LYS 83 3HZ LYS 83 -17.932 -8.266 -3.475 696 H ASP 84 H ASP 84 -19.113 -0.677 -2.682 697 HA ASP 84 HA ASP 84 -17.938 1.621 -1.631 698 HB2 ASP 84 1HB ASP 84 -19.948 2.000 -0.570 699 HB3 ASP 84 2HB ASP 84 -20.454 0.834 -1.789 700 H ASN 85 H ASN 85 -17.790 -1.651 -0.556 701 HA ASN 85 HA ASN 85 -17.114 -1.121 2.163 702 HB2 ASN 85 1HB ASN 85 -16.139 -3.564 1.886 703 HB3 ASN 85 2HB ASN 85 -17.877 -3.283 1.928 704 HD21 ASN 85 1HD2 ASN 85 -19.072 -3.448 0.031 705 HD22 ASN 85 2HD2 ASN 85 -18.451 -4.237 -1.375 706 H PHE 86 H PHE 86 -15.385 -1.044 -0.800 707 HA PHE 86 HA PHE 86 -12.775 -1.490 0.277 708 HB2 PHE 86 1HB PHE 86 -13.745 -0.315 -2.329 709 HB3 PHE 86 2HB PHE 86 -12.037 -0.484 -1.937 710 HD1 PHE 86 2HD PHE 86 -15.134 -2.570 -1.893 711 HD2 PHE 86 1HD PHE 86 -10.972 -2.336 -2.754 712 HE1 PHE 86 2HE PHE 86 -15.178 -4.886 -2.722 713 HE2 PHE 86 1HE PHE 86 -11.010 -4.651 -3.586 714 HZ PHE 86 HZ PHE 86 -13.115 -5.930 -3.570 715 H ALA 87 H ALA 87 -14.926 1.134 0.315 716 HA ALA 87 HA ALA 87 -12.928 3.210 0.456 717 HB1 ALA 87 1HB ALA 87 -14.683 4.431 -0.135 718 HB2 ALA 87 2HB ALA 87 -15.774 3.078 0.164 719 HB3 ALA 87 3HB ALA 87 -15.358 4.181 1.476 720 H GLY 88 H GLY 88 -11.727 3.570 2.197 721 HA2 GLY 88 1HA GLY 88 -12.648 4.111 4.738 722 HA3 GLY 88 2HA GLY 88 -12.307 2.387 4.730 723 H ASN 89 H ASN 89 -10.553 2.328 6.044 724 HA ASN 89 HA ASN 89 -8.282 4.070 5.397 725 HB2 ASN 89 1HB ASN 89 -9.012 4.103 7.733 726 HB3 ASN 89 2HB ASN 89 -8.802 2.358 7.838 727 HD21 ASN 89 1HD2 ASN 89 -6.876 5.094 6.646 728 HD22 ASN 89 2HD2 ASN 89 -5.434 4.668 7.498 729 H TYR 90 H TYR 90 -6.261 3.258 4.918 730 HA TYR 90 HA TYR 90 -6.068 0.345 4.540 731 HB2 TYR 90 1HB TYR 90 -5.401 2.546 2.605 732 HB3 TYR 90 2HB TYR 90 -4.596 0.984 2.503 733 HD1 TYR 90 2HD TYR 90 -8.032 2.439 2.698 734 HD2 TYR 90 1HD TYR 90 -5.546 -0.669 1.192 735 HE1 TYR 90 2HE TYR 90 -9.930 1.552 1.410 736 HE2 TYR 90 1HE TYR 90 -7.437 -1.563 -0.101 737 HH TYR 90 HH TYR 90 -10.423 0.167 -0.425 738 H ARG 91 H ARG 91 -4.079 -0.586 4.931 739 HA ARG 91 HA ARG 91 -1.970 1.201 5.946 740 HB2 ARG 91 1HB ARG 91 -3.416 -0.198 7.654 741 HB3 ARG 91 2HB ARG 91 -2.356 -1.507 7.150 742 HG2 ARG 91 1HG ARG 91 -0.412 -0.244 7.847 743 HG3 ARG 91 2HG ARG 91 -1.434 1.129 8.277 744 HD2 ARG 91 1HD ARG 91 -2.511 -0.155 10.007 745 HD3 ARG 91 2HD ARG 91 -1.647 -1.611 9.516 746 HE ARG 91 HE ARG 91 0.282 0.271 10.126 747 HH11 ARG 91 2HH1 ARG 91 -2.312 -1.362 11.777 748 HH12 ARG 91 1HH1 ARG 91 -1.534 -1.310 13.324 749 HH21 ARG 91 2HH2 ARG 91 1.316 0.345 12.157 750 HH22 ARG 91 1HH2 ARG 91 0.529 -0.339 13.540 751 H CYS 92 H CYS 92 0.175 0.473 5.689 752 HA CYS 92 HA CYS 92 0.519 -1.828 3.888 753 HB2 CYS 92 1HB CYS 92 1.513 0.978 3.571 754 HB3 CYS 92 2HB CYS 92 2.481 -0.351 2.945 755 HG CYS 92 HG CYS 92 1.065 -0.864 0.836 756 H GLU 93 H GLU 93 2.111 -3.201 4.425 757 HA GLU 93 HA GLU 93 4.075 -2.329 6.437 758 HB2 GLU 93 1HB GLU 93 2.568 -4.948 6.368 759 HB3 GLU 93 2HB GLU 93 3.936 -4.621 7.422 760 HG2 GLU 93 1HG GLU 93 2.689 -2.815 8.488 761 HG3 GLU 93 2HG GLU 93 1.316 -3.140 7.431 762 H VAL 94 H VAL 94 6.085 -2.549 5.736 763 HA VAL 94 HA VAL 94 6.704 -4.730 3.859 764 HB VAL 94 HB VAL 94 7.710 -1.887 3.694 765 HG11 VAL 94 1HG1 VAL 94 9.537 -3.316 3.155 766 HG12 VAL 94 2HG1 VAL 94 8.510 -4.356 2.165 767 HG13 VAL 94 3HG1 VAL 94 8.877 -2.714 1.634 768 HG21 VAL 94 1HG2 VAL 94 6.703 -2.316 1.293 769 HG22 VAL 94 2HG2 VAL 94 5.717 -3.486 2.169 770 HG23 VAL 94 3HG2 VAL 94 5.685 -1.785 2.632 771 H THR 95 H THR 95 8.438 -5.921 4.369 772 HA THR 95 HA THR 95 10.343 -4.856 6.343 773 HB THR 95 HB THR 95 9.690 -7.766 6.416 774 HG1 THR 95 1HG THR 95 8.072 -7.094 8.093 775 HG21 THR 95 1HG2 THR 95 10.530 -7.672 8.571 776 HG22 THR 95 2HG2 THR 95 10.135 -5.963 8.761 777 HG23 THR 95 3HG2 THR 95 11.500 -6.446 7.755 778 H TYR 96 H TYR 96 12.041 -4.535 4.990 779 HA TYR 96 HA TYR 96 12.768 -6.445 2.968 780 HB2 TYR 96 1HB TYR 96 13.148 -4.036 2.643 781 HB3 TYR 96 2HB TYR 96 14.270 -4.029 3.998 782 HD1 TYR 96 2HD TYR 96 14.079 -6.730 1.493 783 HD2 TYR 96 1HD TYR 96 16.187 -3.271 2.794 784 HE1 TYR 96 2HE TYR 96 15.923 -7.287 -0.036 785 HE2 TYR 96 1HE TYR 96 18.036 -3.817 1.267 786 HH TYR 96 HH TYR 96 18.167 -5.236 -1.032 787 H LYS 97 H LYS 97 14.887 -5.064 5.459 788 HA LYS 97 HA LYS 97 15.732 -7.778 6.196 789 HB2 LYS 97 1HB LYS 97 17.577 -5.478 5.526 790 HB3 LYS 97 2HB LYS 97 18.094 -7.004 6.232 791 HG2 LYS 97 1HG LYS 97 17.754 -8.179 4.287 792 HG3 LYS 97 2HG LYS 97 16.572 -7.023 3.669 793 HD2 LYS 97 1HD LYS 97 18.354 -6.473 2.353 794 HD3 LYS 97 2HD LYS 97 18.672 -5.408 3.724 795 HE2 LYS 97 1HE LYS 97 20.261 -6.963 4.632 796 HE3 LYS 97 2HE LYS 97 19.847 -8.167 3.413 797 HZ1 LYS 97 1HZ LYS 97 21.195 -5.563 2.957 798 HZ2 LYS 97 2HZ LYS 97 20.667 -6.584 1.717 799 HZ3 LYS 97 3HZ LYS 97 21.872 -7.104 2.784 800 H ASP 98 H ASP 98 16.914 -4.547 7.078 801 HA ASP 98 HA ASP 98 16.062 -5.089 9.847 802 HB2 ASP 98 1HB ASP 98 18.435 -3.367 9.186 803 HB3 ASP 98 2HB ASP 98 18.050 -4.187 10.697 804 H LYS 99 H LYS 99 15.111 -3.422 7.358 805 HA LYS 99 HA LYS 99 14.437 -1.039 8.947 806 HB2 LYS 99 1HB LYS 99 14.989 -0.987 5.979 807 HB3 LYS 99 2HB LYS 99 14.693 0.389 7.032 808 HG2 LYS 99 1HG LYS 99 16.804 0.374 7.882 809 HG3 LYS 99 2HG LYS 99 16.999 -1.367 7.667 810 HD2 LYS 99 1HD LYS 99 17.067 -0.936 5.184 811 HD3 LYS 99 2HD LYS 99 17.160 0.785 5.565 812 HE2 LYS 99 1HE LYS 99 19.104 -1.316 6.518 813 HE3 LYS 99 2HE LYS 99 19.373 -0.229 5.156 814 HZ1 LYS 99 1HZ LYS 99 20.455 0.672 7.057 815 HZ2 LYS 99 2HZ LYS 99 19.065 0.522 8.010 816 HZ3 LYS 99 3HZ LYS 99 19.105 1.643 6.743 817 H PHE 100 H PHE 100 12.335 -1.254 9.367 818 HA PHE 100 HA PHE 100 10.557 -2.097 7.174 819 HB2 PHE 100 1HB PHE 100 10.330 -3.748 8.826 820 HB3 PHE 100 2HB PHE 100 10.422 -2.577 10.137 821 HD1 PHE 100 2HD PHE 100 8.480 -1.008 10.489 822 HD2 PHE 100 1HD PHE 100 8.272 -4.405 7.934 823 HE1 PHE 100 2HE PHE 100 6.023 -0.931 10.593 824 HE2 PHE 100 1HE PHE 100 5.815 -4.334 8.032 825 HZ PHE 100 HZ PHE 100 4.687 -2.596 9.364 826 H ASP 101 H ASP 101 8.871 -0.821 6.622 827 HA ASP 101 HA ASP 101 8.331 1.546 8.283 828 HB2 ASP 101 1HB ASP 101 8.515 3.026 6.524 829 HB3 ASP 101 2HB ASP 101 9.766 1.863 6.092 830 H SER 102 H SER 102 6.214 2.255 8.334 831 HA SER 102 HA SER 102 4.246 0.666 6.834 832 HB2 SER 102 1HB SER 102 2.806 0.621 8.862 833 HB3 SER 102 2HB SER 102 4.318 -0.260 9.082 834 HG SER 102 HG SER 102 3.607 1.278 10.799 835 H CYS 103 H CYS 103 2.807 1.869 5.787 836 HA CYS 103 HA CYS 103 2.218 4.570 6.778 837 HB2 CYS 103 1HB CYS 103 3.890 4.631 4.898 838 HB3 CYS 103 2HB CYS 103 2.661 3.918 3.860 839 HG CYS 103 HG CYS 103 2.299 6.383 3.045 840 H SER 104 H SER 104 0.116 5.136 6.715 841 HA SER 104 HA SER 104 -1.741 3.257 5.406 842 HB2 SER 104 1HB SER 104 -3.345 3.706 7.144 843 HB3 SER 104 2HB SER 104 -1.812 3.311 7.921 844 HG SER 104 HG SER 104 -1.758 5.241 8.746 845 H PHE 105 H PHE 105 -3.250 4.037 4.039 846 HA PHE 105 HA PHE 105 -3.371 6.962 3.693 847 HB2 PHE 105 1HB PHE 105 -3.971 6.370 1.269 848 HB3 PHE 105 2HB PHE 105 -2.293 6.161 1.758 849 HD1 PHE 105 1HD PHE 105 -1.569 3.809 2.479 850 HD2 PHE 105 2HD PHE 105 -5.138 4.616 0.305 851 HE1 PHE 105 1HE PHE 105 -1.643 1.464 1.737 852 HE2 PHE 105 2HE PHE 105 -5.219 2.272 -0.440 853 HZ PHE 105 HZ PHE 105 -3.471 0.693 0.276 854 H ASP 106 H ASP 106 -5.444 7.302 2.070 855 HA ASP 106 HA ASP 106 -7.712 5.944 3.368 856 HB2 ASP 106 1HB ASP 106 -8.930 8.176 3.083 857 HB3 ASP 106 2HB ASP 106 -7.717 8.087 4.358 858 H LEU 107 H LEU 107 -9.142 5.070 2.015 859 HA LEU 107 HA LEU 107 -9.037 5.876 -0.817 860 HB2 LEU 107 1HB LEU 107 -8.262 3.545 -0.199 861 HB3 LEU 107 2HB LEU 107 -9.938 3.202 0.224 862 HG LEU 107 HG LEU 107 -8.967 2.541 -2.122 863 HD11 LEU 107 1HD1 LEU 107 -11.185 2.605 -3.024 864 HD12 LEU 107 2HD1 LEU 107 -11.658 3.876 -1.898 865 HD13 LEU 107 3HD1 LEU 107 -11.295 2.258 -1.299 866 HD21 LEU 107 1HD2 LEU 107 -8.217 4.889 -2.575 867 HD22 LEU 107 2HD2 LEU 107 -9.918 5.344 -2.680 868 HD23 LEU 107 3HD2 LEU 107 -9.243 4.183 -3.824 869 H GLU 108 H GLU 108 -10.811 6.781 -1.613 870 HA GLU 108 HA GLU 108 -13.322 6.496 -0.113 871 HB2 GLU 108 1HB GLU 108 -12.146 8.672 -1.777 872 HB3 GLU 108 2HB GLU 108 -13.896 8.523 -1.728 873 HG2 GLU 108 1HG GLU 108 -13.768 8.626 0.755 874 HG3 GLU 108 2HG GLU 108 -12.044 8.961 0.600 875 H VAL 109 H VAL 109 -15.269 6.067 -1.189 876 HA VAL 109 HA VAL 109 -15.024 5.126 -3.967 877 HB VAL 109 HB VAL 109 -16.584 3.690 -1.816 878 HG11 VAL 109 1HG1 VAL 109 -15.890 2.648 -4.541 879 HG12 VAL 109 2HG1 VAL 109 -17.135 2.089 -3.422 880 HG13 VAL 109 3HG1 VAL 109 -17.334 3.622 -4.270 881 HG21 VAL 109 1HG2 VAL 109 -13.924 3.667 -1.898 882 HG22 VAL 109 2HG2 VAL 109 -14.866 2.232 -1.496 883 HG23 VAL 109 3HG2 VAL 109 -14.236 2.443 -3.129 884 H HIS 110 H HIS 110 -16.359 6.252 -5.205 885 HA HIS 110 HA HIS 110 -18.806 7.366 -4.025 886 HB2 HIS 110 1HB HIS 110 -17.295 8.104 -6.538 887 HB3 HIS 110 2HB HIS 110 -18.826 8.830 -6.058 888 HD1 HIS 110 1HD HIS 110 -17.364 11.089 -6.079 889 HD2 HIS 110 2HD HIS 110 -16.482 8.354 -3.079 890 HE1 HIS 110 1HE HIS 110 -16.056 12.376 -4.361 891 HE2 HIS 110 2HE HIS 110 -15.460 10.680 -2.596 892 H GLU 111 H GLU 111 -20.816 7.053 -4.962 893 HA GLU 111 HA GLU 111 -21.285 4.562 -6.171 894 HB2 GLU 111 1HB GLU 111 -23.056 7.005 -5.997 895 HB3 GLU 111 2HB GLU 111 -23.602 5.419 -6.524 896 HG2 GLU 111 1HG GLU 111 -22.612 4.660 -4.218 897 HG3 GLU 111 2HG GLU 111 -22.846 6.358 -3.807 898 H SER 112 H SER 112 -21.249 3.905 -8.220 899 HA SER 112 HA SER 112 -20.485 5.767 -10.289 900 HB2 SER 112 1HB SER 112 -19.608 3.373 -10.011 901 HB3 SER 112 2HB SER 112 -21.149 2.852 -10.691 902 HG SER 112 HG SER 112 -20.646 4.211 -12.516 903 H THR 113 H THR 113 -21.632 6.203 -12.189 904 HA THR 113 HA THR 113 -24.538 5.811 -11.949 905 HB THR 113 HB THR 113 -23.038 7.907 -13.533 906 HG1 THR 113 1HG THR 113 -24.363 9.155 -11.783 907 HG21 THR 113 1HG2 THR 113 -24.987 8.568 -14.439 908 HG22 THR 113 2HG2 THR 113 -25.880 8.306 -12.940 909 HG23 THR 113 3HG2 THR 113 -25.555 6.952 -14.022 910 H GLY 114 H GLY 114 -24.641 3.776 -12.941 911 HA2 GLY 114 1HA GLY 114 -23.420 3.032 -15.336 912 HA3 GLY 114 2HA GLY 114 -24.912 2.344 -14.713 913 H THR 115 H THR 115 -24.195 2.867 -17.472 914 HA THR 115 HA THR 115 -26.493 4.547 -18.167 915 HB THR 115 HB THR 115 -24.550 6.006 -18.419 916 HG1 THR 115 1HG THR 115 -25.145 6.693 -20.398 917 HG21 THR 115 1HG2 THR 115 -22.687 5.512 -19.766 918 HG22 THR 115 2HG2 THR 115 -23.490 4.135 -20.520 919 HG23 THR 115 3HG2 THR 115 -22.966 4.039 -18.839 920 H THR 116 H THR 116 -27.522 4.001 -20.097 921 HA THR 116 HA THR 116 -27.239 1.266 -20.888 922 HB THR 116 HB THR 116 -29.088 1.701 -22.430 923 HG1 THR 116 1HG THR 116 -28.760 4.417 -21.621 924 HG21 THR 116 1HG2 THR 116 -29.668 3.136 -19.846 925 HG22 THR 116 2HG2 THR 116 -29.453 1.388 -19.940 926 HG23 THR 116 3HG2 THR 116 -30.767 2.164 -20.823 927 HA PRO 117 HA PRO 117 -24.415 1.731 -24.236 928 HB2 PRO 117 1HB PRO 117 -25.084 -0.476 -25.669 929 HB3 PRO 117 2HB PRO 117 -24.177 -0.553 -24.154 930 HG2 PRO 117 1HG PRO 117 -27.096 -1.006 -24.640 931 HG3 PRO 117 2HG PRO 117 -25.975 -1.928 -23.621 932 HD2 PRO 117 1HD PRO 117 -27.699 -0.103 -22.608 933 HD3 PRO 117 2HD PRO 117 -26.106 -0.414 -21.888 934 H ASN 118 H ASN 118 -24.411 1.664 -26.696 935 HA ASN 118 HA ASN 118 -26.933 2.194 -27.998 936 HB2 ASN 118 1HB ASN 118 -26.167 4.372 -26.864 937 HB3 ASN 118 2HB ASN 118 -24.883 4.401 -28.070 938 HD21 ASN 118 1HD2 ASN 118 -28.303 4.647 -27.512 939 HD22 ASN 118 2HD2 ASN 118 -28.711 5.315 -29.053 940 H ILE 119 H ILE 119 -26.351 3.083 -30.350 941 HA ILE 119 HA ILE 119 -24.817 1.025 -31.569 942 HB ILE 119 HB ILE 119 -25.906 3.569 -32.780 943 HG12 ILE 119 1HG1 ILE 119 -27.048 0.777 -32.930 944 HG13 ILE 119 2HG1 ILE 119 -27.558 1.956 -31.727 945 HG21 ILE 119 1HG2 ILE 119 -24.001 2.075 -33.902 946 HG22 ILE 119 2HG2 ILE 119 -25.413 1.151 -34.413 947 HG23 ILE 119 3HG2 ILE 119 -25.274 2.857 -34.839 948 HD11 ILE 119 1HD1 ILE 119 -27.771 2.293 -34.709 949 HD12 ILE 119 2HD1 ILE 119 -29.089 1.869 -33.617 950 HD13 ILE 119 3HD1 ILE 119 -28.312 3.447 -33.491 951 H ASP 120 H ASP 120 -22.677 0.944 -31.591 952 HA ASP 120 HA ASP 120 -20.500 1.682 -31.296 953 HB2 ASP 120 1HB ASP 120 -21.472 3.067 -33.800 954 HB3 ASP 120 2HB ASP 120 -19.775 2.976 -33.334 955 H SER 121 H SER 121 -21.861 3.062 -29.459 956 HA SER 121 HA SER 121 -21.091 5.878 -29.815 957 HB2 SER 121 1HB SER 121 -23.507 5.256 -29.240 958 HB3 SER 121 2HB SER 121 -22.897 4.807 -27.648 959 HG SER 121 HG SER 121 -23.699 7.075 -28.058 960 H GLY 122 H GLY 122 -18.912 5.694 -29.282 961 HA2 GLY 122 1HA GLY 122 -17.170 5.906 -27.784 962 HA3 GLY 122 2HA GLY 122 -18.339 5.769 -26.479 963 HA PRO 123 HA PRO 123 -15.736 1.816 -27.148 964 HB2 PRO 123 1HB PRO 123 -13.903 2.167 -25.177 965 HB3 PRO 123 2HB PRO 123 -13.643 2.711 -26.838 966 HG2 PRO 123 1HG PRO 123 -14.524 4.282 -24.448 967 HG3 PRO 123 2HG PRO 123 -13.352 4.720 -25.705 968 HD2 PRO 123 1HD PRO 123 -15.897 5.646 -25.698 969 HD3 PRO 123 2HD PRO 123 -14.996 5.340 -27.197 970 H SER 124 H SER 124 -16.331 0.039 -26.036 971 HA SER 124 HA SER 124 -17.591 0.444 -23.404 972 HB2 SER 124 1HB SER 124 -18.944 -0.425 -25.461 973 HB3 SER 124 2HB SER 124 -18.127 -1.953 -25.132 974 HG SER 124 HG SER 124 -19.616 -0.487 -23.212 975 H SER 125 H SER 125 -14.826 0.151 -23.559 976 HA SER 125 HA SER 125 -14.492 -2.309 -22.039 977 HB2 SER 125 1HB SER 125 -12.991 -1.688 -24.580 978 HB3 SER 125 2HB SER 125 -12.331 -2.766 -23.350 979 HG SER 125 HG SER 125 -13.703 -3.652 -25.174 980 H GLY 126 H GLY 126 -13.239 -1.987 -20.308 981 HA2 GLY 126 1HA GLY 126 -11.442 0.359 -20.326 982 HA3 GLY 126 2HA GLY 126 -12.468 -0.016 -18.949 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 8.082 1.766 22.797 2 HA2 GLY 1 1HA GLY 1 6.053 0.840 22.129 3 HA3 GLY 1 2HA GLY 1 5.928 2.078 20.887 4 H SER 2 H SER 2 5.991 1.315 18.893 5 HA SER 2 HA SER 2 7.599 -1.099 18.367 6 HB2 SER 2 1HB SER 2 5.931 -1.601 16.550 7 HB3 SER 2 2HB SER 2 5.277 -1.702 18.185 8 HG SER 2 HG SER 2 4.398 0.381 17.884 9 H SER 3 H SER 3 6.020 1.557 16.578 10 HA SER 3 HA SER 3 8.311 1.618 14.754 11 HB2 SER 3 1HB SER 3 5.461 2.498 14.572 12 HB3 SER 3 2HB SER 3 6.659 3.331 13.582 13 HG SER 3 HG SER 3 6.770 1.644 12.338 14 H GLY 4 H GLY 4 8.998 3.823 13.987 15 HA2 GLY 4 1HA GLY 4 9.016 6.228 14.571 16 HA3 GLY 4 2HA GLY 4 8.997 5.722 16.253 17 H SER 5 H SER 5 10.930 5.748 13.303 18 HA SER 5 HA SER 5 13.336 5.945 14.945 19 HB2 SER 5 1HB SER 5 12.941 3.872 12.776 20 HB3 SER 5 2HB SER 5 14.506 4.277 13.483 21 HG SER 5 HG SER 5 12.988 2.467 14.373 22 H SER 6 H SER 6 15.232 6.640 13.682 23 HA SER 6 HA SER 6 14.406 8.541 11.625 24 HB2 SER 6 1HB SER 6 16.937 8.263 13.253 25 HB3 SER 6 2HB SER 6 16.756 9.435 11.946 26 HG SER 6 HG SER 6 16.014 9.712 14.448 27 H GLY 7 H GLY 7 14.208 7.345 9.764 28 HA2 GLY 7 1HA GLY 7 16.242 7.021 8.027 29 HA3 GLY 7 2HA GLY 7 16.311 5.527 8.950 30 H ILE 8 H ILE 8 14.620 7.329 6.539 31 HA ILE 8 HA ILE 8 12.598 5.219 6.278 32 HB ILE 8 HB ILE 8 12.740 7.936 4.966 33 HG12 ILE 8 1HG1 ILE 8 10.560 8.134 6.417 34 HG13 ILE 8 2HG1 ILE 8 11.303 6.846 7.360 35 HG21 ILE 8 1HG2 ILE 8 10.624 7.497 4.000 36 HG22 ILE 8 2HG2 ILE 8 11.634 6.099 3.638 37 HG23 ILE 8 3HG2 ILE 8 10.432 6.008 4.924 38 HD11 ILE 8 1HD1 ILE 8 12.318 8.462 8.489 39 HD12 ILE 8 2HD1 ILE 8 13.335 8.680 7.065 40 HD13 ILE 8 3HD1 ILE 8 11.898 9.678 7.283 41 H LEU 9 H LEU 9 13.080 3.616 4.940 42 HA LEU 9 HA LEU 9 14.987 4.027 2.780 43 HB2 LEU 9 1HB LEU 9 13.831 1.690 4.191 44 HB3 LEU 9 2HB LEU 9 14.335 1.455 2.518 45 HG LEU 9 HG LEU 9 16.076 2.322 4.824 46 HD11 LEU 9 1HD1 LEU 9 16.797 0.202 4.976 47 HD12 LEU 9 2HD1 LEU 9 16.724 -0.058 3.233 48 HD13 LEU 9 3HD1 LEU 9 15.258 -0.186 4.206 49 HD21 LEU 9 1HD2 LEU 9 16.380 2.699 1.982 50 HD22 LEU 9 2HD2 LEU 9 17.653 1.660 2.622 51 HD23 LEU 9 3HD2 LEU 9 17.398 3.265 3.307 52 H PHE 10 H PHE 10 11.592 3.217 3.256 53 HA PHE 10 HA PHE 10 10.856 2.482 0.702 54 HB2 PHE 10 1HB PHE 10 9.495 2.828 2.983 55 HB3 PHE 10 2HB PHE 10 9.008 4.302 2.153 56 HD1 PHE 10 2HD PHE 10 9.470 0.707 1.249 57 HD2 PHE 10 1HD PHE 10 6.995 4.166 1.083 58 HE1 PHE 10 2HE PHE 10 7.781 -0.566 -0.009 59 HE2 PHE 10 1HE PHE 10 5.302 2.898 -0.175 60 HZ PHE 10 HZ PHE 10 5.694 0.530 -0.724 61 H ILE 11 H ILE 11 11.483 3.504 -1.093 62 HA ILE 11 HA ILE 11 12.097 6.207 -1.353 63 HB ILE 11 HB ILE 11 11.174 4.263 -3.470 64 HG12 ILE 11 1HG1 ILE 11 13.232 3.577 -2.359 65 HG13 ILE 11 2HG1 ILE 11 13.589 4.123 -3.994 66 HG21 ILE 11 1HG2 ILE 11 12.216 5.824 -5.075 67 HG22 ILE 11 2HG2 ILE 11 10.817 6.517 -4.255 68 HG23 ILE 11 3HG2 ILE 11 12.446 6.980 -3.764 69 HD11 ILE 11 1HD1 ILE 11 15.261 4.948 -2.488 70 HD12 ILE 11 2HD1 ILE 11 14.287 6.301 -3.064 71 HD13 ILE 11 3HD1 ILE 11 14.028 5.655 -1.443 72 H GLU 12 H GLU 12 9.325 4.740 -3.028 73 HA GLU 12 HA GLU 12 7.879 7.266 -2.702 74 HB2 GLU 12 1HB GLU 12 8.250 5.901 -4.948 75 HB3 GLU 12 2HB GLU 12 6.828 5.037 -4.381 76 HG2 GLU 12 1HG GLU 12 5.939 6.684 -5.732 77 HG3 GLU 12 2HG GLU 12 5.776 7.366 -4.115 78 H LYS 13 H LYS 13 5.560 7.183 -2.232 79 HA LYS 13 HA LYS 13 4.811 4.878 -0.561 80 HB2 LYS 13 1HB LYS 13 4.240 7.779 0.070 81 HB3 LYS 13 2HB LYS 13 3.765 6.392 1.041 82 HG2 LYS 13 1HG LYS 13 6.082 5.884 1.513 83 HG3 LYS 13 2HG LYS 13 6.607 7.203 0.464 84 HD2 LYS 13 1HD LYS 13 4.738 7.787 2.717 85 HD3 LYS 13 2HD LYS 13 6.452 7.540 3.061 86 HE2 LYS 13 1HE LYS 13 6.931 9.267 1.285 87 HE3 LYS 13 2HE LYS 13 5.203 9.614 1.271 88 HZ1 LYS 13 1HZ LYS 13 6.783 9.708 3.768 89 HZ2 LYS 13 2HZ LYS 13 5.273 10.401 3.452 90 HZ3 LYS 13 3HZ LYS 13 6.666 11.048 2.743 91 HA PRO 14 HA PRO 14 1.135 4.795 -2.986 92 HB2 PRO 14 1HB PRO 14 -0.458 3.402 -1.286 93 HB3 PRO 14 2HB PRO 14 0.852 2.653 -2.207 94 HG2 PRO 14 1HG PRO 14 0.819 3.555 0.647 95 HG3 PRO 14 2HG PRO 14 1.488 2.068 -0.048 96 HD2 PRO 14 1HD PRO 14 3.032 4.196 0.597 97 HD3 PRO 14 2HD PRO 14 3.413 3.116 -0.759 98 H GLN 15 H GLN 15 0.123 6.708 -3.227 99 HA GLN 15 HA GLN 15 -1.051 8.052 -0.928 100 HB2 GLN 15 1HB GLN 15 -0.902 8.890 -3.829 101 HB3 GLN 15 2HB GLN 15 -1.502 9.887 -2.511 102 HG2 GLN 15 1HG GLN 15 1.308 8.867 -2.854 103 HG3 GLN 15 2HG GLN 15 0.750 10.524 -3.077 104 HE21 GLN 15 1HE2 GLN 15 1.647 8.085 -0.814 105 HE22 GLN 15 2HE2 GLN 15 1.609 9.077 0.599 106 H GLY 16 H GLY 16 -3.003 7.406 -0.298 107 HA2 GLY 16 1HA GLY 16 -4.814 5.848 -1.642 108 HA3 GLY 16 2HA GLY 16 -5.266 6.995 -0.390 109 H GLY 17 H GLY 17 -7.076 6.497 -2.319 110 HA2 GLY 17 1HA GLY 17 -7.330 9.098 -3.561 111 HA3 GLY 17 2HA GLY 17 -7.144 7.771 -4.697 112 H THR 18 H THR 18 -9.251 8.331 -5.499 113 HA THR 18 HA THR 18 -11.382 7.113 -3.887 114 HB THR 18 HB THR 18 -11.845 9.602 -5.529 115 HG1 THR 18 1HG THR 18 -10.676 9.372 -3.104 116 HG21 THR 18 1HG2 THR 18 -13.497 7.803 -3.875 117 HG22 THR 18 2HG2 THR 18 -13.947 8.814 -5.248 118 HG23 THR 18 3HG2 THR 18 -13.780 9.528 -3.644 119 H VAL 19 H VAL 19 -12.034 5.392 -4.993 120 HA VAL 19 HA VAL 19 -12.124 5.544 -7.932 121 HB VAL 19 HB VAL 19 -10.681 3.764 -6.965 122 HG11 VAL 19 1HG1 VAL 19 -13.271 2.556 -6.005 123 HG12 VAL 19 2HG1 VAL 19 -11.653 1.869 -5.841 124 HG13 VAL 19 3HG1 VAL 19 -12.082 3.339 -4.965 125 HG21 VAL 19 1HG2 VAL 19 -12.802 3.444 -8.909 126 HG22 VAL 19 2HG2 VAL 19 -11.125 2.904 -8.973 127 HG23 VAL 19 3HG2 VAL 19 -12.343 1.905 -8.181 128 H LYS 20 H LYS 20 -13.978 5.082 -9.032 129 HA LYS 20 HA LYS 20 -16.446 5.343 -7.614 130 HB2 LYS 20 1HB LYS 20 -15.856 6.160 -9.994 131 HB3 LYS 20 2HB LYS 20 -16.211 4.512 -10.495 132 HG2 LYS 20 1HG LYS 20 -18.164 5.823 -10.844 133 HG3 LYS 20 2HG LYS 20 -18.467 4.760 -9.468 134 HD2 LYS 20 1HD LYS 20 -19.305 6.889 -8.858 135 HD3 LYS 20 2HD LYS 20 -17.783 6.690 -7.986 136 HE2 LYS 20 1HE LYS 20 -17.595 8.842 -8.804 137 HE3 LYS 20 2HE LYS 20 -16.751 7.905 -10.036 138 HZ1 LYS 20 1HZ LYS 20 -19.460 8.004 -10.719 139 HZ2 LYS 20 2HZ LYS 20 -18.150 8.694 -11.537 140 HZ3 LYS 20 3HZ LYS 20 -18.970 9.581 -10.352 141 H VAL 21 H VAL 21 -18.205 3.846 -7.620 142 HA VAL 21 HA VAL 21 -17.498 1.231 -6.886 143 HB VAL 21 HB VAL 21 -20.173 2.385 -7.675 144 HG11 VAL 21 1HG1 VAL 21 -20.923 0.294 -7.820 145 HG12 VAL 21 2HG1 VAL 21 -19.392 -0.369 -7.245 146 HG13 VAL 21 3HG1 VAL 21 -20.619 0.151 -6.089 147 HG21 VAL 21 1HG2 VAL 21 -19.149 3.328 -5.655 148 HG22 VAL 21 2HG2 VAL 21 -20.598 2.396 -5.277 149 HG23 VAL 21 3HG2 VAL 21 -19.003 1.706 -4.977 150 H GLY 22 H GLY 22 -16.841 -0.385 -8.133 151 HA2 GLY 22 1HA GLY 22 -17.233 -2.004 -9.828 152 HA3 GLY 22 2HA GLY 22 -18.160 -0.807 -10.720 153 H GLU 23 H GLU 23 -15.757 1.054 -9.955 154 HA GLU 23 HA GLU 23 -14.415 0.716 -12.467 155 HB2 GLU 23 1HB GLU 23 -14.415 2.704 -10.278 156 HB3 GLU 23 2HB GLU 23 -12.920 2.576 -11.194 157 HG2 GLU 23 1HG GLU 23 -15.639 3.388 -12.130 158 HG3 GLU 23 2HG GLU 23 -14.103 4.237 -12.294 159 H ASP 24 H ASP 24 -11.835 1.215 -12.161 160 HA ASP 24 HA ASP 24 -10.783 -0.809 -10.308 161 HB2 ASP 24 1HB ASP 24 -9.282 -1.657 -12.036 162 HB3 ASP 24 2HB ASP 24 -10.959 -1.810 -12.555 163 H ILE 25 H ILE 25 -9.307 0.058 -9.025 164 HA ILE 25 HA ILE 25 -7.719 2.326 -10.038 165 HB ILE 25 HB ILE 25 -9.199 3.071 -8.272 166 HG12 ILE 25 1HG1 ILE 25 -6.469 2.804 -7.022 167 HG13 ILE 25 2HG1 ILE 25 -6.753 3.833 -8.422 168 HG21 ILE 25 1HG2 ILE 25 -7.890 1.122 -6.397 169 HG22 ILE 25 2HG2 ILE 25 -9.323 2.112 -6.126 170 HG23 ILE 25 3HG2 ILE 25 -9.389 0.755 -7.250 171 HD11 ILE 25 1HD1 ILE 25 -7.450 5.457 -7.101 172 HD12 ILE 25 2HD1 ILE 25 -8.716 4.416 -6.449 173 HD13 ILE 25 3HD1 ILE 25 -7.120 4.441 -5.698 174 H THR 26 H THR 26 -5.538 2.496 -9.306 175 HA THR 26 HA THR 26 -4.390 0.065 -8.131 176 HB THR 26 HB THR 26 -3.093 1.408 -10.497 177 HG1 THR 26 1HG THR 26 -3.939 -0.687 -11.510 178 HG21 THR 26 1HG2 THR 26 -1.633 0.069 -9.066 179 HG22 THR 26 2HG2 THR 26 -1.858 -0.709 -10.633 180 HG23 THR 26 3HG2 THR 26 -2.728 -1.305 -9.220 181 H PHE 27 H PHE 27 -2.728 0.412 -6.748 182 HA PHE 27 HA PHE 27 -1.924 3.211 -6.337 183 HB2 PHE 27 1HB PHE 27 -1.743 0.905 -4.389 184 HB3 PHE 27 2HB PHE 27 -1.414 2.599 -4.041 185 HD1 PHE 27 1HD PHE 27 -4.069 0.189 -4.916 186 HD2 PHE 27 2HD PHE 27 -3.152 4.096 -3.497 187 HE1 PHE 27 1HE PHE 27 -6.427 0.511 -4.292 188 HE2 PHE 27 2HE PHE 27 -5.508 4.424 -2.869 189 HZ PHE 27 HZ PHE 27 -7.149 2.630 -3.265 190 H ILE 28 H ILE 28 0.269 3.702 -5.882 191 HA ILE 28 HA ILE 28 2.162 1.687 -6.903 192 HB ILE 28 HB ILE 28 2.277 4.694 -7.130 193 HG12 ILE 28 1HG1 ILE 28 0.802 3.613 -8.756 194 HG13 ILE 28 2HG1 ILE 28 2.242 4.240 -9.551 195 HG21 ILE 28 1HG2 ILE 28 4.397 2.734 -7.125 196 HG22 ILE 28 2HG2 ILE 28 4.321 3.597 -8.660 197 HG23 ILE 28 3HG2 ILE 28 4.492 4.494 -7.152 198 HD11 ILE 28 1HD1 ILE 28 1.698 1.374 -8.821 199 HD12 ILE 28 2HD1 ILE 28 1.699 2.077 -10.439 200 HD13 ILE 28 3HD1 ILE 28 3.202 1.971 -9.521 201 H ALA 29 H ALA 29 4.025 1.296 -5.787 202 HA ALA 29 HA ALA 29 4.840 2.974 -3.585 203 HB1 ALA 29 1HB ALA 29 4.285 0.147 -2.814 204 HB2 ALA 29 2HB ALA 29 4.385 1.592 -1.806 205 HB3 ALA 29 3HB ALA 29 2.965 1.318 -2.816 206 H LYS 30 H LYS 30 6.953 3.111 -3.925 207 HA LYS 30 HA LYS 30 8.399 0.742 -4.892 208 HB2 LYS 30 1HB LYS 30 8.892 3.691 -5.118 209 HB3 LYS 30 2HB LYS 30 10.231 2.563 -5.277 210 HG2 LYS 30 1HG LYS 30 9.494 1.748 -7.271 211 HG3 LYS 30 2HG LYS 30 7.797 2.065 -6.900 212 HD2 LYS 30 1HD LYS 30 9.649 4.377 -7.224 213 HD3 LYS 30 2HD LYS 30 9.104 3.520 -8.667 214 HE2 LYS 30 1HE LYS 30 6.800 3.929 -8.098 215 HE3 LYS 30 2HE LYS 30 7.267 4.638 -6.553 216 HZ1 LYS 30 1HZ LYS 30 7.796 6.582 -7.509 217 HZ2 LYS 30 2HZ LYS 30 6.785 6.057 -8.759 218 HZ3 LYS 30 3HZ LYS 30 8.461 5.865 -8.890 219 H VAL 31 H VAL 31 10.654 0.493 -4.068 220 HA VAL 31 HA VAL 31 11.169 1.576 -1.423 221 HB VAL 31 HB VAL 31 9.773 -0.415 -0.974 222 HG11 VAL 31 1HG1 VAL 31 10.699 -2.652 -1.432 223 HG12 VAL 31 2HG1 VAL 31 10.344 -1.755 -2.910 224 HG13 VAL 31 3HG1 VAL 31 12.009 -1.905 -2.346 225 HG21 VAL 31 1HG2 VAL 31 12.577 -1.053 -0.127 226 HG22 VAL 31 2HG2 VAL 31 11.752 0.387 0.470 227 HG23 VAL 31 3HG2 VAL 31 11.076 -1.211 0.787 228 H LYS 32 H LYS 32 13.302 1.758 -1.006 229 HA LYS 32 HA LYS 32 15.154 1.157 -3.115 230 HB2 LYS 32 1HB LYS 32 15.170 3.191 -1.538 231 HB3 LYS 32 2HB LYS 32 15.901 2.110 -0.359 232 HG2 LYS 32 1HG LYS 32 17.741 3.105 -1.314 233 HG3 LYS 32 2HG LYS 32 17.606 1.614 -2.249 234 HD2 LYS 32 1HD LYS 32 16.079 3.174 -3.770 235 HD3 LYS 32 2HD LYS 32 17.100 4.425 -3.058 236 HE2 LYS 32 1HE LYS 32 18.407 1.985 -4.146 237 HE3 LYS 32 2HE LYS 32 17.778 3.171 -5.288 238 HZ1 LYS 32 1HZ LYS 32 20.157 3.468 -4.601 239 HZ2 LYS 32 2HZ LYS 32 19.596 3.896 -3.064 240 HZ3 LYS 32 3HZ LYS 32 19.176 4.832 -4.409 241 H ALA 33 H ALA 33 16.355 -0.610 -3.342 242 HA ALA 33 HA ALA 33 16.760 -2.342 -0.990 243 HB1 ALA 33 1HB ALA 33 16.901 -3.833 -3.435 244 HB2 ALA 33 2HB ALA 33 15.834 -4.059 -2.048 245 HB3 ALA 33 3HB ALA 33 15.370 -2.962 -3.348 246 H GLU 34 H GLU 34 18.660 -3.812 -1.216 247 HA GLU 34 HA GLU 34 20.807 -2.596 -2.819 248 HB2 GLU 34 1HB GLU 34 21.031 -3.539 0.046 249 HB3 GLU 34 2HB GLU 34 22.365 -2.965 -0.945 250 HG2 GLU 34 1HG GLU 34 21.210 -0.777 -1.134 251 HG3 GLU 34 2HG GLU 34 19.996 -1.371 -0.002 252 H ASP 35 H ASP 35 19.709 -5.449 -1.032 253 HA ASP 35 HA ASP 35 21.601 -7.132 -2.483 254 HB2 ASP 35 1HB ASP 35 19.759 -7.605 -0.149 255 HB3 ASP 35 2HB ASP 35 20.528 -8.944 -0.997 256 H LEU 36 H LEU 36 20.951 -8.928 -3.732 257 HA LEU 36 HA LEU 36 18.342 -8.554 -5.005 258 HB2 LEU 36 1HB LEU 36 20.590 -10.336 -5.912 259 HB3 LEU 36 2HB LEU 36 19.199 -9.794 -6.849 260 HG LEU 36 HG LEU 36 21.466 -8.044 -5.896 261 HD11 LEU 36 1HD1 LEU 36 22.456 -8.264 -7.917 262 HD12 LEU 36 2HD1 LEU 36 20.929 -8.509 -8.765 263 HD13 LEU 36 3HD1 LEU 36 21.661 -9.838 -7.866 264 HD21 LEU 36 1HD2 LEU 36 19.760 -7.028 -8.009 265 HD22 LEU 36 2HD2 LEU 36 20.278 -6.262 -6.507 266 HD23 LEU 36 3HD2 LEU 36 18.868 -7.322 -6.516 267 H LEU 37 H LEU 37 20.313 -11.018 -3.419 268 HA LEU 37 HA LEU 37 18.721 -13.248 -3.799 269 HB2 LEU 37 1HB LEU 37 20.424 -12.428 -1.460 270 HB3 LEU 37 2HB LEU 37 19.642 -14.004 -1.568 271 HG LEU 37 HG LEU 37 22.003 -14.107 -2.201 272 HD11 LEU 37 1HD1 LEU 37 20.275 -15.596 -3.234 273 HD12 LEU 37 2HD1 LEU 37 21.736 -15.375 -4.196 274 HD13 LEU 37 3HD1 LEU 37 20.261 -14.508 -4.623 275 HD21 LEU 37 1HD2 LEU 37 22.055 -11.752 -3.103 276 HD22 LEU 37 2HD2 LEU 37 21.299 -12.384 -4.566 277 HD23 LEU 37 3HD2 LEU 37 22.891 -12.964 -4.074 278 H ARG 38 H ARG 38 18.480 -10.753 -1.292 279 HA ARG 38 HA ARG 38 16.051 -11.980 -0.246 280 HB2 ARG 38 1HB ARG 38 17.386 -9.436 0.682 281 HB3 ARG 38 2HB ARG 38 16.207 -10.405 1.556 282 HG2 ARG 38 1HG ARG 38 18.945 -11.391 0.797 283 HG3 ARG 38 2HG ARG 38 18.558 -10.643 2.348 284 HD2 ARG 38 1HD ARG 38 17.054 -12.395 2.910 285 HD3 ARG 38 2HD ARG 38 17.108 -13.052 1.275 286 HE ARG 38 HE ARG 38 19.088 -14.105 1.787 287 HH11 ARG 38 2HH1 ARG 38 18.278 -11.832 4.297 288 HH12 ARG 38 1HH1 ARG 38 19.501 -12.399 5.385 289 HH21 ARG 38 2HH2 ARG 38 20.702 -14.860 3.212 290 HH22 ARG 38 1HH2 ARG 38 20.879 -14.121 4.767 291 H LYS 39 H LYS 39 14.045 -10.933 -0.176 292 HA LYS 39 HA LYS 39 13.744 -8.496 -1.771 293 HB2 LYS 39 1HB LYS 39 13.286 -10.145 -3.410 294 HB3 LYS 39 2HB LYS 39 12.362 -11.125 -2.278 295 HG2 LYS 39 1HG LYS 39 10.504 -9.753 -2.402 296 HG3 LYS 39 2HG LYS 39 11.437 -8.373 -2.988 297 HD2 LYS 39 1HD LYS 39 10.476 -8.998 -4.954 298 HD3 LYS 39 2HD LYS 39 11.893 -10.050 -5.007 299 HE2 LYS 39 1HE LYS 39 9.650 -11.125 -5.521 300 HE3 LYS 39 2HE LYS 39 10.654 -11.926 -4.314 301 HZ1 LYS 39 1HZ LYS 39 8.099 -11.397 -3.926 302 HZ2 LYS 39 2HZ LYS 39 8.749 -9.953 -3.333 303 HZ3 LYS 39 3HZ LYS 39 9.220 -11.431 -2.659 304 HA PRO 40 HA PRO 40 11.193 -7.546 1.737 305 HB2 PRO 40 1HB PRO 40 10.315 -5.142 0.832 306 HB3 PRO 40 2HB PRO 40 11.937 -5.386 1.490 307 HG2 PRO 40 1HG PRO 40 11.051 -5.268 -1.367 308 HG3 PRO 40 2HG PRO 40 12.475 -4.535 -0.606 309 HD2 PRO 40 1HD PRO 40 12.608 -6.827 -2.042 310 HD3 PRO 40 2HD PRO 40 13.672 -6.504 -0.658 311 H THR 41 H THR 41 9.177 -8.172 2.175 312 HA THR 41 HA THR 41 7.294 -8.521 -0.035 313 HB THR 41 HB THR 41 7.096 -9.507 2.818 314 HG1 THR 41 1HG THR 41 8.441 -10.977 2.120 315 HG21 THR 41 1HG2 THR 41 4.998 -10.080 2.337 316 HG22 THR 41 2HG2 THR 41 5.564 -11.026 0.961 317 HG23 THR 41 3HG2 THR 41 5.155 -9.324 0.752 318 H ILE 42 H ILE 42 5.300 -7.561 -0.120 319 HA ILE 42 HA ILE 42 4.828 -5.409 1.836 320 HB ILE 42 HB ILE 42 5.223 -4.642 -0.485 321 HG12 ILE 42 1HG1 ILE 42 2.335 -4.092 0.034 322 HG13 ILE 42 2HG1 ILE 42 3.502 -3.646 1.274 323 HG21 ILE 42 1HG2 ILE 42 2.574 -5.685 -1.331 324 HG22 ILE 42 2HG2 ILE 42 4.002 -5.309 -2.293 325 HG23 ILE 42 3HG2 ILE 42 3.946 -6.792 -1.342 326 HD11 ILE 42 1HD1 ILE 42 4.072 -1.828 0.155 327 HD12 ILE 42 2HD1 ILE 42 4.398 -2.763 -1.305 328 HD13 ILE 42 3HD1 ILE 42 2.766 -2.180 -0.976 329 H LYS 43 H LYS 43 2.950 -5.333 2.932 330 HA LYS 43 HA LYS 43 0.843 -7.253 2.187 331 HB2 LYS 43 1HB LYS 43 2.200 -7.934 4.206 332 HB3 LYS 43 2HB LYS 43 1.574 -6.506 5.021 333 HG2 LYS 43 1HG LYS 43 0.068 -8.023 5.763 334 HG3 LYS 43 2HG LYS 43 -0.741 -7.555 4.266 335 HD2 LYS 43 1HD LYS 43 -0.811 -9.834 4.060 336 HD3 LYS 43 2HD LYS 43 0.730 -9.504 3.266 337 HE2 LYS 43 1HE LYS 43 0.897 -11.377 4.839 338 HE3 LYS 43 2HE LYS 43 1.922 -10.025 5.320 339 HZ1 LYS 43 1HZ LYS 43 -0.707 -9.904 6.461 340 HZ2 LYS 43 2HZ LYS 43 0.803 -9.775 7.213 341 HZ3 LYS 43 3HZ LYS 43 0.135 -11.300 6.914 342 H TRP 44 H TRP 44 -0.937 -6.209 1.618 343 HA TRP 44 HA TRP 44 -1.403 -3.494 2.553 344 HB2 TRP 44 1HB TRP 44 -3.021 -5.143 0.601 345 HB3 TRP 44 2HB TRP 44 -3.159 -3.409 0.878 346 HD1 TRP 44 HD TRP 44 -0.697 -5.985 -0.604 347 HE1 TRP 44 1HE TRP 44 0.799 -4.773 -2.313 348 HE3 TRP 44 3HE TRP 44 -2.312 -1.194 0.155 349 HZ2 TRP 44 2HZ TRP 44 1.237 -2.136 -3.219 350 HZ3 TRP 44 3HZ TRP 44 -1.303 0.615 -1.173 351 HH2 TRP 44 HH TRP 44 0.435 0.152 -2.824 352 H PHE 45 H PHE 45 -2.598 -3.079 4.280 353 HA PHE 45 HA PHE 45 -4.574 -5.086 5.139 354 HB2 PHE 45 1HB PHE 45 -2.889 -3.135 6.694 355 HB3 PHE 45 2HB PHE 45 -4.330 -3.864 7.394 356 HD1 PHE 45 1HD PHE 45 -4.433 -6.303 7.750 357 HD2 PHE 45 2HD PHE 45 -0.876 -4.365 6.441 358 HE1 PHE 45 1HE PHE 45 -3.123 -8.285 8.387 359 HE2 PHE 45 2HE PHE 45 0.440 -6.345 7.076 360 HZ PHE 45 HZ PHE 45 -0.683 -8.309 8.050 361 H LYS 46 H LYS 46 -6.597 -4.374 5.932 362 HA LYS 46 HA LYS 46 -7.319 -1.611 5.218 363 HB2 LYS 46 1HB LYS 46 -8.103 -3.148 3.463 364 HB3 LYS 46 2HB LYS 46 -8.967 -4.088 4.672 365 HG2 LYS 46 1HG LYS 46 -10.531 -2.686 3.540 366 HG3 LYS 46 2HG LYS 46 -10.329 -2.075 5.183 367 HD2 LYS 46 1HD LYS 46 -8.716 -0.404 4.308 368 HD3 LYS 46 2HD LYS 46 -9.067 -0.972 2.674 369 HE2 LYS 46 1HE LYS 46 -10.971 0.328 4.615 370 HE3 LYS 46 2HE LYS 46 -10.379 0.988 3.091 371 HZ1 LYS 46 1HZ LYS 46 -12.655 0.073 2.966 372 HZ2 LYS 46 2HZ LYS 46 -12.038 -1.463 3.311 373 HZ3 LYS 46 3HZ LYS 46 -11.583 -0.669 1.889 374 H GLY 47 H GLY 47 -9.209 -0.778 6.333 375 HA2 GLY 47 1HA GLY 47 -10.413 -0.364 8.242 376 HA3 GLY 47 2HA GLY 47 -10.565 -2.109 8.385 377 H LYS 48 H LYS 48 -10.024 -2.712 10.368 378 HA LYS 48 HA LYS 48 -7.879 -1.287 11.765 379 HB2 LYS 48 1HB LYS 48 -10.296 -1.885 12.694 380 HB3 LYS 48 2HB LYS 48 -9.504 -3.404 13.095 381 HG2 LYS 48 1HG LYS 48 -7.884 -2.262 14.453 382 HG3 LYS 48 2HG LYS 48 -8.517 -0.692 13.954 383 HD2 LYS 48 1HD LYS 48 -10.769 -1.726 14.907 384 HD3 LYS 48 2HD LYS 48 -9.632 -2.681 15.861 385 HE2 LYS 48 1HE LYS 48 -9.859 -0.890 17.250 386 HE3 LYS 48 2HE LYS 48 -8.536 -0.299 16.246 387 HZ1 LYS 48 1HZ LYS 48 -10.991 0.346 15.030 388 HZ2 LYS 48 2HZ LYS 48 -9.791 1.389 15.606 389 HZ3 LYS 48 3HZ LYS 48 -11.026 0.870 16.639 390 H TRP 49 H TRP 49 -8.974 -4.656 11.332 391 HA TRP 49 HA TRP 49 -6.148 -5.462 11.229 392 HB2 TRP 49 1HB TRP 49 -8.218 -7.201 12.543 393 HB3 TRP 49 2HB TRP 49 -6.464 -7.265 12.694 394 HD1 TRP 49 HD TRP 49 -9.515 -5.797 14.299 395 HE1 TRP 49 1HE TRP 49 -8.828 -4.339 16.306 396 HE3 TRP 49 3HE TRP 49 -4.474 -5.597 13.468 397 HZ2 TRP 49 2HZ TRP 49 -6.462 -3.248 17.392 398 HZ3 TRP 49 3HZ TRP 49 -3.070 -4.324 15.038 399 HH2 TRP 49 HH TRP 49 -4.045 -3.175 16.958 400 H MET 50 H MET 50 -7.973 -4.960 9.068 401 HA MET 50 HA MET 50 -8.776 -7.572 8.085 402 HB2 MET 50 1HB MET 50 -9.946 -5.212 7.761 403 HB3 MET 50 2HB MET 50 -8.871 -5.132 6.372 404 HG2 MET 50 1HG MET 50 -10.728 -7.438 6.877 405 HG3 MET 50 2HG MET 50 -11.181 -6.018 5.937 406 HE1 MET 50 1HE MET 50 -10.223 -5.374 3.651 407 HE2 MET 50 2HE MET 50 -9.981 -6.713 2.529 408 HE3 MET 50 3HE MET 50 -11.455 -6.627 3.494 409 H ASP 51 H ASP 51 -7.688 -8.777 6.648 410 HA ASP 51 HA ASP 51 -5.163 -7.685 5.606 411 HB2 ASP 51 1HB ASP 51 -4.647 -9.568 6.915 412 HB3 ASP 51 2HB ASP 51 -6.035 -10.474 6.319 413 H LEU 52 H LEU 52 -5.453 -6.926 3.607 414 HA LEU 52 HA LEU 52 -7.436 -7.882 1.813 415 HB2 LEU 52 1HB LEU 52 -4.988 -6.292 1.086 416 HB3 LEU 52 2HB LEU 52 -6.527 -6.356 0.230 417 HG LEU 52 HG LEU 52 -6.096 -5.118 2.948 418 HD11 LEU 52 1HD1 LEU 52 -5.065 -3.602 1.578 419 HD12 LEU 52 2HD1 LEU 52 -6.734 -3.042 1.476 420 HD13 LEU 52 3HD1 LEU 52 -6.054 -4.024 0.179 421 HD21 LEU 52 1HD2 LEU 52 -8.304 -5.260 3.140 422 HD22 LEU 52 2HD2 LEU 52 -8.458 -5.924 1.514 423 HD23 LEU 52 3HD2 LEU 52 -8.439 -4.176 1.755 424 H ALA 53 H ALA 53 -4.122 -8.727 2.419 425 HA ALA 53 HA ALA 53 -3.284 -9.881 0.083 426 HB1 ALA 53 1HB ALA 53 -2.753 -11.481 2.504 427 HB2 ALA 53 2HB ALA 53 -1.637 -10.825 1.306 428 HB3 ALA 53 3HB ALA 53 -2.283 -9.782 2.573 429 H SER 54 H SER 54 -5.065 -11.579 2.669 430 HA SER 54 HA SER 54 -5.453 -13.935 1.132 431 HB2 SER 54 1HB SER 54 -6.492 -14.791 2.995 432 HB3 SER 54 2HB SER 54 -5.615 -13.460 3.750 433 HG SER 54 HG SER 54 -7.515 -12.842 4.389 434 H LYS 55 H LYS 55 -7.132 -10.929 1.362 435 HA LYS 55 HA LYS 55 -9.642 -11.852 0.350 436 HB2 LYS 55 1HB LYS 55 -8.491 -9.056 0.408 437 HB3 LYS 55 2HB LYS 55 -10.172 -9.467 0.094 438 HG2 LYS 55 1HG LYS 55 -8.811 -10.248 2.649 439 HG3 LYS 55 2HG LYS 55 -9.561 -8.665 2.434 440 HD2 LYS 55 1HD LYS 55 -11.602 -10.120 1.618 441 HD3 LYS 55 2HD LYS 55 -10.816 -11.364 2.593 442 HE2 LYS 55 1HE LYS 55 -10.829 -9.823 4.517 443 HE3 LYS 55 2HE LYS 55 -11.675 -8.629 3.534 444 HZ1 LYS 55 1HZ LYS 55 -13.254 -10.753 3.225 445 HZ2 LYS 55 2HZ LYS 55 -13.478 -9.589 4.432 446 HZ3 LYS 55 3HZ LYS 55 -12.683 -11.038 4.792 447 H ALA 56 H ALA 56 -6.681 -10.625 -1.055 448 HA ALA 56 HA ALA 56 -7.561 -9.969 -3.612 449 HB1 ALA 56 1HB ALA 56 -5.414 -9.430 -3.741 450 HB2 ALA 56 2HB ALA 56 -5.049 -10.393 -2.309 451 HB3 ALA 56 3HB ALA 56 -5.022 -11.142 -3.905 452 H GLY 57 H GLY 57 -8.684 -11.191 -4.977 453 HA2 GLY 57 1HA GLY 57 -7.724 -13.863 -5.618 454 HA3 GLY 57 2HA GLY 57 -9.347 -13.774 -4.949 455 H LYS 58 H LYS 58 -10.757 -12.050 -6.089 456 HA LYS 58 HA LYS 58 -10.276 -12.205 -8.992 457 HB2 LYS 58 1HB LYS 58 -12.057 -13.771 -8.210 458 HB3 LYS 58 2HB LYS 58 -12.965 -12.384 -7.623 459 HG2 LYS 58 1HG LYS 58 -13.523 -11.680 -9.727 460 HG3 LYS 58 2HG LYS 58 -12.107 -12.426 -10.471 461 HD2 LYS 58 1HD LYS 58 -13.850 -13.785 -11.188 462 HD3 LYS 58 2HD LYS 58 -13.216 -14.660 -9.792 463 HE2 LYS 58 1HE LYS 58 -15.626 -14.631 -9.695 464 HE3 LYS 58 2HE LYS 58 -14.975 -13.634 -8.395 465 HZ1 LYS 58 1HZ LYS 58 -16.916 -12.733 -9.780 466 HZ2 LYS 58 2HZ LYS 58 -15.755 -12.425 -10.970 467 HZ3 LYS 58 3HZ LYS 58 -15.622 -11.694 -9.450 468 H HIS 59 H HIS 59 -12.406 -10.554 -6.650 469 HA HIS 59 HA HIS 59 -12.758 -8.253 -8.252 470 HB2 HIS 59 1HB HIS 59 -13.146 -8.697 -5.288 471 HB3 HIS 59 2HB HIS 59 -13.613 -7.219 -6.124 472 HD1 HIS 59 1HD HIS 59 -15.481 -7.554 -8.044 473 HD2 HIS 59 2HD HIS 59 -15.010 -10.684 -5.353 474 HE1 HIS 59 1HE HIS 59 -17.561 -8.949 -8.266 475 HE2 HIS 59 2HE HIS 59 -17.292 -10.789 -6.567 476 H LEU 60 H LEU 60 -10.214 -9.273 -6.194 477 HA LEU 60 HA LEU 60 -8.914 -6.657 -6.529 478 HB2 LEU 60 1HB LEU 60 -9.546 -6.651 -4.261 479 HB3 LEU 60 2HB LEU 60 -9.092 -8.341 -4.049 480 HG LEU 60 HG LEU 60 -6.686 -7.343 -4.630 481 HD11 LEU 60 1HD1 LEU 60 -7.082 -5.140 -2.948 482 HD12 LEU 60 2HD1 LEU 60 -8.322 -5.027 -4.196 483 HD13 LEU 60 3HD1 LEU 60 -6.621 -5.128 -4.650 484 HD21 LEU 60 1HD2 LEU 60 -7.953 -8.349 -2.413 485 HD22 LEU 60 2HD2 LEU 60 -7.362 -6.786 -1.849 486 HD23 LEU 60 3HD2 LEU 60 -6.236 -7.961 -2.531 487 H GLN 61 H GLN 61 -6.703 -6.695 -6.893 488 HA GLN 61 HA GLN 61 -5.299 -9.238 -6.886 489 HB2 GLN 61 1HB GLN 61 -5.727 -7.629 -9.407 490 HB3 GLN 61 2HB GLN 61 -4.551 -8.928 -9.251 491 HG2 GLN 61 1HG GLN 61 -7.455 -9.386 -8.686 492 HG3 GLN 61 2HG GLN 61 -6.814 -9.450 -10.327 493 HE21 GLN 61 1HE2 GLN 61 -7.354 -11.158 -7.492 494 HE22 GLN 61 2HE2 GLN 61 -6.422 -12.566 -7.858 495 H LEU 62 H LEU 62 -3.308 -8.931 -6.144 496 HA LEU 62 HA LEU 62 -2.260 -6.218 -5.984 497 HB2 LEU 62 1HB LEU 62 -1.021 -8.718 -4.864 498 HB3 LEU 62 2HB LEU 62 -0.716 -7.049 -4.387 499 HG LEU 62 HG LEU 62 -3.281 -8.565 -3.905 500 HD11 LEU 62 1HD1 LEU 62 -1.150 -9.221 -2.615 501 HD12 LEU 62 2HD1 LEU 62 -2.619 -8.880 -1.702 502 HD13 LEU 62 3HD1 LEU 62 -1.345 -7.666 -1.806 503 HD21 LEU 62 1HD2 LEU 62 -3.790 -6.257 -4.116 504 HD22 LEU 62 2HD2 LEU 62 -2.376 -5.788 -3.172 505 HD23 LEU 62 3HD2 LEU 62 -3.728 -6.607 -2.388 506 H LYS 63 H LYS 63 0.094 -5.890 -6.391 507 HA LYS 63 HA LYS 63 1.176 -7.618 -8.494 508 HB2 LYS 63 1HB LYS 63 -0.103 -5.348 -9.204 509 HB3 LYS 63 2HB LYS 63 1.512 -4.708 -8.930 510 HG2 LYS 63 1HG LYS 63 1.722 -5.238 -11.118 511 HG3 LYS 63 2HG LYS 63 2.174 -6.799 -10.429 512 HD2 LYS 63 1HD LYS 63 -0.398 -7.268 -10.572 513 HD3 LYS 63 2HD LYS 63 -0.363 -5.975 -11.774 514 HE2 LYS 63 1HE LYS 63 1.342 -7.199 -13.034 515 HE3 LYS 63 2HE LYS 63 1.307 -8.488 -11.832 516 HZ1 LYS 63 1HZ LYS 63 -0.121 -9.330 -13.366 517 HZ2 LYS 63 2HZ LYS 63 -0.657 -7.815 -13.894 518 HZ3 LYS 63 3HZ LYS 63 -1.233 -8.456 -12.438 519 H GLU 64 H GLU 64 3.417 -7.647 -8.635 520 HA GLU 64 HA GLU 64 4.990 -5.877 -6.963 521 HB2 GLU 64 1HB GLU 64 4.604 -7.425 -5.262 522 HB3 GLU 64 2HB GLU 64 4.613 -8.791 -6.369 523 HG2 GLU 64 1HG GLU 64 7.100 -7.198 -5.932 524 HG3 GLU 64 2HG GLU 64 6.608 -8.423 -4.765 525 H THR 65 H THR 65 6.854 -5.422 -7.938 526 HA THR 65 HA THR 65 8.039 -7.385 -9.765 527 HB THR 65 HB THR 65 6.699 -5.812 -11.135 528 HG1 THR 65 1HG THR 65 9.000 -4.960 -12.097 529 HG21 THR 65 1HG2 THR 65 6.712 -3.783 -9.958 530 HG22 THR 65 2HG2 THR 65 7.737 -3.472 -11.360 531 HG23 THR 65 3HG2 THR 65 8.467 -3.791 -9.787 532 H PHE 66 H PHE 66 10.283 -6.700 -10.440 533 HA PHE 66 HA PHE 66 11.608 -5.073 -8.387 534 HB2 PHE 66 1HB PHE 66 11.983 -7.281 -7.595 535 HB3 PHE 66 2HB PHE 66 12.325 -7.882 -9.214 536 HD1 PHE 66 1HD PHE 66 13.609 -5.362 -6.784 537 HD2 PHE 66 2HD PHE 66 14.517 -8.222 -9.802 538 HE1 PHE 66 1HE PHE 66 16.012 -4.991 -6.408 539 HE2 PHE 66 2HE PHE 66 16.921 -7.857 -9.430 540 HZ PHE 66 HZ PHE 66 17.672 -6.240 -7.730 541 H GLU 67 H GLU 67 13.507 -4.042 -9.040 542 HA GLU 67 HA GLU 67 14.145 -4.233 -11.908 543 HB2 GLU 67 1HB GLU 67 13.527 -1.822 -10.256 544 HB3 GLU 67 2HB GLU 67 14.702 -1.676 -11.555 545 HG2 GLU 67 1HG GLU 67 12.992 -2.578 -13.118 546 HG3 GLU 67 2HG GLU 67 11.826 -2.521 -11.797 547 H ARG 68 H ARG 68 16.020 -5.371 -11.710 548 HA ARG 68 HA ARG 68 17.969 -4.945 -9.711 549 HB2 ARG 68 1HB ARG 68 19.440 -6.112 -11.596 550 HB3 ARG 68 2HB ARG 68 18.261 -7.007 -10.647 551 HG2 ARG 68 1HG ARG 68 17.232 -5.766 -13.109 552 HG3 ARG 68 2HG ARG 68 18.398 -7.072 -13.331 553 HD2 ARG 68 1HD ARG 68 16.852 -8.221 -11.494 554 HD3 ARG 68 2HD ARG 68 15.657 -7.133 -12.199 555 HE ARG 68 HE ARG 68 15.709 -8.368 -14.150 556 HH11 ARG 68 2HH1 ARG 68 18.234 -9.412 -11.992 557 HH12 ARG 68 1HH1 ARG 68 18.600 -10.840 -12.902 558 HH21 ARG 68 2HH2 ARG 68 16.183 -10.245 -15.357 559 HH22 ARG 68 1HH2 ARG 68 17.434 -11.313 -14.816 560 H HIS 69 H HIS 69 17.272 -3.323 -12.668 561 HA HIS 69 HA HIS 69 19.727 -2.276 -13.401 562 HB2 HIS 69 1HB HIS 69 17.185 -0.659 -13.478 563 HB3 HIS 69 2HB HIS 69 18.541 -0.614 -14.601 564 HD1 HIS 69 1HD HIS 69 15.434 -2.511 -13.802 565 HD2 HIS 69 2HD HIS 69 18.549 -2.642 -16.548 566 HE1 HIS 69 1HE HIS 69 14.688 -4.117 -15.588 567 HE2 HIS 69 2HE HIS 69 16.624 -4.245 -17.194 568 H SER 70 H SER 70 17.419 -1.052 -11.003 569 HA SER 70 HA SER 70 19.543 0.726 -9.995 570 HB2 SER 70 1HB SER 70 16.574 1.154 -10.222 571 HB3 SER 70 2HB SER 70 17.532 2.060 -9.051 572 HG SER 70 HG SER 70 18.908 2.545 -10.985 573 H ARG 71 H ARG 71 18.058 -2.078 -9.373 574 HA ARG 71 HA ARG 71 17.809 -3.392 -7.534 575 HB2 ARG 71 1HB ARG 71 19.618 -1.254 -6.428 576 HB3 ARG 71 2HB ARG 71 19.061 -2.598 -5.438 577 HG2 ARG 71 1HG ARG 71 19.986 -4.021 -7.452 578 HG3 ARG 71 2HG ARG 71 20.965 -2.576 -7.716 579 HD2 ARG 71 1HD ARG 71 20.789 -3.670 -4.958 580 HD3 ARG 71 2HD ARG 71 21.767 -4.544 -6.136 581 HE ARG 71 HE ARG 71 22.315 -1.720 -6.011 582 HH11 ARG 71 2HH1 ARG 71 23.071 -4.861 -4.712 583 HH12 ARG 71 1HH1 ARG 71 24.641 -4.394 -4.148 584 HH21 ARG 71 2HH2 ARG 71 24.380 -1.093 -5.273 585 HH22 ARG 71 1HH2 ARG 71 25.384 -2.250 -4.466 586 H VAL 72 H VAL 72 15.808 -1.419 -8.138 587 HA VAL 72 HA VAL 72 14.742 -0.917 -5.434 588 HB VAL 72 HB VAL 72 14.328 0.686 -7.958 589 HG11 VAL 72 1HG1 VAL 72 12.216 0.435 -6.730 590 HG12 VAL 72 2HG1 VAL 72 13.000 1.050 -5.273 591 HG13 VAL 72 3HG1 VAL 72 12.814 2.093 -6.683 592 HG21 VAL 72 1HG2 VAL 72 16.416 1.091 -6.681 593 HG22 VAL 72 2HG2 VAL 72 15.348 2.493 -6.733 594 HG23 VAL 72 3HG2 VAL 72 15.436 1.505 -5.275 595 H TYR 73 H TYR 73 12.819 -1.781 -4.938 596 HA TYR 73 HA TYR 73 11.498 -3.416 -6.957 597 HB2 TYR 73 1HB TYR 73 11.249 -3.228 -3.958 598 HB3 TYR 73 2HB TYR 73 10.129 -4.171 -4.934 599 HD1 TYR 73 2HD TYR 73 13.671 -3.851 -3.922 600 HD2 TYR 73 1HD TYR 73 10.729 -6.312 -5.763 601 HE1 TYR 73 2HE TYR 73 15.233 -5.750 -3.866 602 HE2 TYR 73 1HE TYR 73 12.282 -8.218 -5.712 603 HH TYR 73 HH TYR 73 14.852 -8.445 -3.846 604 H THR 74 H THR 74 9.197 -3.358 -7.258 605 HA THR 74 HA THR 74 7.888 -0.852 -6.469 606 HB THR 74 HB THR 74 7.723 -1.933 -9.284 607 HG1 THR 74 1HG THR 74 8.984 0.200 -9.561 608 HG21 THR 74 1HG2 THR 74 6.945 0.761 -8.166 609 HG22 THR 74 2HG2 THR 74 5.817 -0.570 -8.427 610 HG23 THR 74 3HG2 THR 74 6.653 0.159 -9.798 611 H PHE 75 H PHE 75 6.126 -1.410 -5.383 612 HA PHE 75 HA PHE 75 4.662 -3.826 -6.209 613 HB2 PHE 75 1HB PHE 75 4.448 -2.435 -3.539 614 HB3 PHE 75 2HB PHE 75 3.875 -4.044 -3.965 615 HD1 PHE 75 1HD PHE 75 5.703 -5.736 -4.714 616 HD2 PHE 75 2HD PHE 75 6.482 -2.196 -2.482 617 HE1 PHE 75 1HE PHE 75 7.826 -6.702 -3.930 618 HE2 PHE 75 2HE PHE 75 8.606 -3.156 -1.696 619 HZ PHE 75 HZ PHE 75 9.281 -5.411 -2.420 620 H GLU 76 H GLU 76 2.408 -3.769 -6.389 621 HA GLU 76 HA GLU 76 1.102 -1.159 -6.205 622 HB2 GLU 76 1HB GLU 76 0.770 -2.870 -8.662 623 HB3 GLU 76 2HB GLU 76 0.233 -1.215 -8.412 624 HG2 GLU 76 1HG GLU 76 2.063 -0.876 -9.729 625 HG3 GLU 76 2HG GLU 76 2.786 -0.743 -8.128 626 H MET 77 H MET 77 -1.301 -1.362 -6.503 627 HA MET 77 HA MET 77 -2.304 -4.011 -5.728 628 HB2 MET 77 1HB MET 77 -2.056 -2.727 -3.668 629 HB3 MET 77 2HB MET 77 -2.987 -1.403 -4.358 630 HG2 MET 77 1HG MET 77 -4.983 -2.619 -4.289 631 HG3 MET 77 2HG MET 77 -4.142 -4.151 -4.063 632 HE1 MET 77 1HE MET 77 -4.484 -0.685 -2.810 633 HE2 MET 77 2HE MET 77 -5.812 -1.105 -1.728 634 HE3 MET 77 3HE MET 77 -4.214 -0.751 -1.068 635 H GLN 78 H GLN 78 -3.422 -4.472 -7.545 636 HA GLN 78 HA GLN 78 -5.069 -2.450 -8.820 637 HB2 GLN 78 1HB GLN 78 -3.652 -4.525 -9.831 638 HB3 GLN 78 2HB GLN 78 -5.247 -5.257 -9.727 639 HG2 GLN 78 1HG GLN 78 -6.159 -3.376 -11.036 640 HG3 GLN 78 2HG GLN 78 -4.524 -2.736 -11.202 641 HE21 GLN 78 1HE2 GLN 78 -2.978 -4.748 -11.822 642 HE22 GLN 78 2HE2 GLN 78 -3.495 -5.558 -13.259 643 H ILE 79 H ILE 79 -6.984 -2.022 -7.944 644 HA ILE 79 HA ILE 79 -8.516 -4.208 -6.721 645 HB ILE 79 HB ILE 79 -8.940 -1.227 -6.481 646 HG12 ILE 79 1HG1 ILE 79 -7.402 -3.216 -4.879 647 HG13 ILE 79 2HG1 ILE 79 -7.039 -1.527 -5.219 648 HG21 ILE 79 1HG2 ILE 79 -10.192 -3.430 -4.856 649 HG22 ILE 79 2HG2 ILE 79 -10.584 -1.712 -4.832 650 HG23 ILE 79 3HG2 ILE 79 -10.970 -2.684 -6.252 651 HD11 ILE 79 1HD1 ILE 79 -7.512 -1.618 -2.932 652 HD12 ILE 79 2HD1 ILE 79 -8.974 -0.967 -3.674 653 HD13 ILE 79 3HD1 ILE 79 -8.915 -2.658 -3.175 654 H ILE 80 H ILE 80 -9.925 -5.142 -8.042 655 HA ILE 80 HA ILE 80 -11.160 -3.581 -10.186 656 HB ILE 80 HB ILE 80 -11.537 -6.532 -9.776 657 HG12 ILE 80 1HG1 ILE 80 -9.584 -6.474 -11.628 658 HG13 ILE 80 2HG1 ILE 80 -9.111 -5.074 -10.672 659 HG21 ILE 80 1HG2 ILE 80 -11.284 -5.783 -12.485 660 HG22 ILE 80 2HG2 ILE 80 -12.729 -6.326 -11.634 661 HG23 ILE 80 3HG2 ILE 80 -12.349 -4.606 -11.715 662 HD11 ILE 80 1HD1 ILE 80 -7.975 -6.611 -9.500 663 HD12 ILE 80 2HD1 ILE 80 -9.533 -6.867 -8.713 664 HD13 ILE 80 3HD1 ILE 80 -9.018 -7.935 -10.018 665 H LYS 81 H LYS 81 -13.382 -3.416 -10.458 666 HA LYS 81 HA LYS 81 -15.494 -2.987 -9.701 667 HB2 LYS 81 1HB LYS 81 -15.176 -5.734 -8.478 668 HB3 LYS 81 2HB LYS 81 -16.694 -4.931 -8.862 669 HG2 LYS 81 1HG LYS 81 -15.630 -4.874 -11.283 670 HG3 LYS 81 2HG LYS 81 -14.741 -6.263 -10.652 671 HD2 LYS 81 1HD LYS 81 -17.005 -7.177 -9.925 672 HD3 LYS 81 2HD LYS 81 -17.716 -5.922 -10.943 673 HE2 LYS 81 1HE LYS 81 -15.610 -7.666 -12.113 674 HE3 LYS 81 2HE LYS 81 -17.216 -8.350 -11.867 675 HZ1 LYS 81 1HZ LYS 81 -16.433 -6.071 -13.576 676 HZ2 LYS 81 2HZ LYS 81 -18.036 -6.288 -13.084 677 HZ3 LYS 81 3HZ LYS 81 -17.267 -7.478 -14.009 678 H ALA 82 H ALA 82 -13.742 -1.691 -8.119 679 HA ALA 82 HA ALA 82 -13.689 -2.229 -5.405 680 HB1 ALA 82 1HB ALA 82 -12.657 -0.254 -5.251 681 HB2 ALA 82 2HB ALA 82 -12.800 -0.192 -7.008 682 HB3 ALA 82 3HB ALA 82 -14.002 0.610 -5.997 683 H LYS 83 H LYS 83 -15.378 -2.691 -4.156 684 HA LYS 83 HA LYS 83 -17.967 -1.463 -4.648 685 HB2 LYS 83 1HB LYS 83 -17.395 -3.332 -2.374 686 HB3 LYS 83 2HB LYS 83 -18.885 -3.117 -3.283 687 HG2 LYS 83 1HG LYS 83 -18.078 -4.346 -5.110 688 HG3 LYS 83 2HG LYS 83 -16.410 -4.254 -4.540 689 HD2 LYS 83 1HD LYS 83 -17.225 -5.568 -2.502 690 HD3 LYS 83 2HD LYS 83 -18.678 -5.897 -3.449 691 HE2 LYS 83 1HE LYS 83 -17.133 -6.758 -5.261 692 HE3 LYS 83 2HE LYS 83 -15.838 -6.678 -4.068 693 HZ1 LYS 83 1HZ LYS 83 -18.344 -8.227 -3.706 694 HZ2 LYS 83 2HZ LYS 83 -16.990 -8.238 -2.693 695 HZ3 LYS 83 3HZ LYS 83 -16.886 -8.891 -4.251 696 H ASP 84 H ASP 84 -19.230 -0.722 -2.688 697 HA ASP 84 HA ASP 84 -18.019 1.510 -1.547 698 HB2 ASP 84 1HB ASP 84 -20.022 1.873 -0.436 699 HB3 ASP 84 2HB ASP 84 -20.539 0.840 -1.766 700 H ASN 85 H ASN 85 -17.850 -1.788 -0.634 701 HA ASN 85 HA ASN 85 -17.216 -1.363 2.128 702 HB2 ASN 85 1HB ASN 85 -18.184 -3.485 1.315 703 HB3 ASN 85 2HB ASN 85 -16.719 -3.787 0.385 704 HD21 ASN 85 1HD2 ASN 85 -17.929 -3.277 3.656 705 HD22 ASN 85 2HD2 ASN 85 -16.725 -4.233 4.443 706 H PHE 86 H PHE 86 -15.484 -1.191 -0.820 707 HA PHE 86 HA PHE 86 -12.885 -1.739 0.254 708 HB2 PHE 86 1HB PHE 86 -13.821 -0.494 -2.331 709 HB3 PHE 86 2HB PHE 86 -12.118 -0.698 -1.935 710 HD1 PHE 86 2HD PHE 86 -15.212 -2.788 -1.810 711 HD2 PHE 86 1HD PHE 86 -11.114 -2.497 -2.922 712 HE1 PHE 86 2HE PHE 86 -15.290 -5.086 -2.686 713 HE2 PHE 86 1HE PHE 86 -11.185 -4.794 -3.800 714 HZ PHE 86 HZ PHE 86 -13.275 -6.092 -3.682 715 H ALA 87 H ALA 87 -14.985 0.905 0.395 716 HA ALA 87 HA ALA 87 -12.946 2.946 0.571 717 HB1 ALA 87 1HB ALA 87 -15.389 3.909 1.607 718 HB2 ALA 87 2HB ALA 87 -14.664 4.240 0.033 719 HB3 ALA 87 3HB ALA 87 -15.776 2.884 0.225 720 H GLY 88 H GLY 88 -11.714 3.137 2.320 721 HA2 GLY 88 1HA GLY 88 -12.753 3.564 4.899 722 HA3 GLY 88 2HA GLY 88 -12.203 1.898 4.788 723 H ASN 89 H ASN 89 -10.476 2.029 6.155 724 HA ASN 89 HA ASN 89 -8.370 3.964 5.459 725 HB2 ASN 89 1HB ASN 89 -9.142 4.233 7.740 726 HB3 ASN 89 2HB ASN 89 -8.913 2.516 8.059 727 HD21 ASN 89 1HD2 ASN 89 -6.944 5.078 6.587 728 HD22 ASN 89 2HD2 ASN 89 -5.549 4.800 7.566 729 H TYR 90 H TYR 90 -6.720 3.157 4.362 730 HA TYR 90 HA TYR 90 -6.174 0.284 4.496 731 HB2 TYR 90 1HB TYR 90 -5.443 2.440 2.528 732 HB3 TYR 90 2HB TYR 90 -4.627 0.880 2.520 733 HD1 TYR 90 2HD TYR 90 -8.097 2.273 2.540 734 HD2 TYR 90 1HD TYR 90 -5.472 -0.774 1.151 735 HE1 TYR 90 2HE TYR 90 -9.917 1.334 1.178 736 HE2 TYR 90 1HE TYR 90 -7.284 -1.721 -0.216 737 HH TYR 90 HH TYR 90 -10.451 -0.148 -0.411 738 H ARG 91 H ARG 91 -3.970 -0.473 4.652 739 HA ARG 91 HA ARG 91 -2.045 1.401 5.801 740 HB2 ARG 91 1HB ARG 91 -3.308 0.424 7.697 741 HB3 ARG 91 2HB ARG 91 -2.828 -1.181 7.163 742 HG2 ARG 91 1HG ARG 91 -0.482 -0.606 7.538 743 HG3 ARG 91 2HG ARG 91 -0.968 1.002 8.081 744 HD2 ARG 91 1HD ARG 91 -0.742 -0.106 10.086 745 HD3 ARG 91 2HD ARG 91 -2.460 -0.326 9.757 746 HE ARG 91 HE ARG 91 -1.093 -2.493 8.656 747 HH11 ARG 91 2HH1 ARG 91 -1.771 -1.126 11.785 748 HH12 ARG 91 1HH1 ARG 91 -1.710 -2.649 12.608 749 HH21 ARG 91 2HH2 ARG 91 -1.011 -4.504 9.728 750 HH22 ARG 91 1HH2 ARG 91 -1.276 -4.570 11.437 751 H CYS 92 H CYS 92 -0.166 1.132 4.810 752 HA CYS 92 HA CYS 92 0.392 -1.434 3.503 753 HB2 CYS 92 1HB CYS 92 0.446 0.947 2.353 754 HB3 CYS 92 2HB CYS 92 2.064 0.998 3.042 755 HG CYS 92 HG CYS 92 0.892 -0.805 0.464 756 H GLU 93 H GLU 93 2.061 -2.695 4.092 757 HA GLU 93 HA GLU 93 4.052 -1.610 5.958 758 HB2 GLU 93 1HB GLU 93 2.259 -3.968 6.348 759 HB3 GLU 93 2HB GLU 93 3.890 -4.030 7.001 760 HG2 GLU 93 1HG GLU 93 3.250 -1.703 8.009 761 HG3 GLU 93 2HG GLU 93 1.604 -2.288 7.771 762 H VAL 94 H VAL 94 6.002 -1.874 5.120 763 HA VAL 94 HA VAL 94 6.549 -4.306 3.549 764 HB VAL 94 HB VAL 94 7.600 -1.530 2.983 765 HG11 VAL 94 1HG1 VAL 94 8.331 -2.919 0.837 766 HG12 VAL 94 2HG1 VAL 94 9.358 -2.785 2.266 767 HG13 VAL 94 3HG1 VAL 94 8.372 -4.227 2.019 768 HG21 VAL 94 1HG2 VAL 94 5.873 -1.260 1.613 769 HG22 VAL 94 2HG2 VAL 94 6.253 -2.771 0.786 770 HG23 VAL 94 3HG2 VAL 94 5.199 -2.781 2.200 771 H THR 95 H THR 95 7.751 -5.491 4.913 772 HA THR 95 HA THR 95 9.868 -4.186 6.462 773 HB THR 95 HB THR 95 8.963 -7.061 6.661 774 HG1 THR 95 1HG THR 95 7.563 -6.403 8.235 775 HG21 THR 95 1HG2 THR 95 11.191 -5.803 7.697 776 HG22 THR 95 2HG2 THR 95 10.468 -7.293 8.303 777 HG23 THR 95 3HG2 THR 95 10.035 -5.745 9.028 778 H TYR 96 H TYR 96 11.889 -4.224 5.753 779 HA TYR 96 HA TYR 96 12.676 -6.346 3.864 780 HB2 TYR 96 1HB TYR 96 12.633 -4.063 2.887 781 HB3 TYR 96 2HB TYR 96 13.817 -3.552 4.085 782 HD1 TYR 96 2HD TYR 96 13.770 -6.774 2.247 783 HD2 TYR 96 1HD TYR 96 15.637 -2.979 2.705 784 HE1 TYR 96 2HE TYR 96 15.586 -7.494 0.752 785 HE2 TYR 96 1HE TYR 96 17.458 -3.687 1.210 786 HH TYR 96 HH TYR 96 17.666 -5.466 -0.720 787 H LYS 97 H LYS 97 14.516 -7.485 4.236 788 HA LYS 97 HA LYS 97 15.463 -8.112 6.644 789 HB2 LYS 97 1HB LYS 97 17.582 -7.729 4.583 790 HB3 LYS 97 2HB LYS 97 17.275 -9.107 5.632 791 HG2 LYS 97 1HG LYS 97 15.804 -8.346 3.124 792 HG3 LYS 97 2HG LYS 97 16.794 -9.779 3.410 793 HD2 LYS 97 1HD LYS 97 14.464 -9.307 5.197 794 HD3 LYS 97 2HD LYS 97 14.149 -9.856 3.549 795 HE2 LYS 97 1HE LYS 97 15.385 -11.838 3.867 796 HE3 LYS 97 2HE LYS 97 16.126 -11.231 5.347 797 HZ1 LYS 97 1HZ LYS 97 14.065 -12.888 5.340 798 HZ2 LYS 97 2HZ LYS 97 13.222 -11.421 5.335 799 HZ3 LYS 97 3HZ LYS 97 14.325 -11.759 6.573 800 H ASP 98 H ASP 98 16.720 -5.395 4.730 801 HA ASP 98 HA ASP 98 18.618 -4.552 6.651 802 HB2 ASP 98 1HB ASP 98 17.327 -3.233 4.278 803 HB3 ASP 98 2HB ASP 98 18.400 -2.326 5.341 804 H LYS 99 H LYS 99 15.713 -2.745 5.664 805 HA LYS 99 HA LYS 99 15.188 -2.160 8.495 806 HB2 LYS 99 1HB LYS 99 15.246 -0.153 6.236 807 HB3 LYS 99 2HB LYS 99 14.617 0.183 7.844 808 HG2 LYS 99 1HG LYS 99 17.438 -0.729 7.350 809 HG3 LYS 99 2HG LYS 99 16.961 0.970 7.386 810 HD2 LYS 99 1HD LYS 99 15.902 0.339 9.682 811 HD3 LYS 99 2HD LYS 99 17.004 -1.038 9.603 812 HE2 LYS 99 1HE LYS 99 18.232 0.565 10.755 813 HE3 LYS 99 2HE LYS 99 18.816 0.722 9.099 814 HZ1 LYS 99 1HZ LYS 99 16.690 2.433 9.244 815 HZ2 LYS 99 2HZ LYS 99 18.324 2.865 9.289 816 HZ3 LYS 99 3HZ LYS 99 17.470 2.637 10.731 817 H PHE 100 H PHE 100 12.978 -1.342 8.878 818 HA PHE 100 HA PHE 100 11.081 -2.391 6.882 819 HB2 PHE 100 1HB PHE 100 10.758 -3.910 8.575 820 HB3 PHE 100 2HB PHE 100 11.230 -2.771 9.832 821 HD1 PHE 100 1HD PHE 100 8.588 -2.713 7.199 822 HD2 PHE 100 2HD PHE 100 9.527 -2.520 11.345 823 HE1 PHE 100 1HE PHE 100 6.216 -2.307 7.714 824 HE2 PHE 100 2HE PHE 100 7.157 -2.114 11.867 825 HZ PHE 100 HZ PHE 100 5.498 -2.008 10.050 826 H ASP 101 H ASP 101 9.634 -0.988 6.137 827 HA ASP 101 HA ASP 101 9.133 1.463 7.696 828 HB2 ASP 101 1HB ASP 101 9.303 1.143 4.692 829 HB3 ASP 101 2HB ASP 101 8.784 2.614 5.511 830 H SER 102 H SER 102 7.029 2.442 7.402 831 HA SER 102 HA SER 102 4.952 0.748 6.254 832 HB2 SER 102 1HB SER 102 3.596 0.824 8.318 833 HB3 SER 102 2HB SER 102 5.114 -0.038 8.567 834 HG SER 102 HG SER 102 4.796 1.385 10.269 835 H CYS 103 H CYS 103 2.970 1.840 5.877 836 HA CYS 103 HA CYS 103 2.640 4.600 6.557 837 HB2 CYS 103 1HB CYS 103 2.635 5.426 4.201 838 HB3 CYS 103 2HB CYS 103 4.227 4.945 4.776 839 HG CYS 103 HG CYS 103 2.227 3.060 2.735 840 H SER 104 H SER 104 0.535 5.151 6.505 841 HA SER 104 HA SER 104 -1.316 3.241 5.237 842 HB2 SER 104 1HB SER 104 -2.958 3.889 6.933 843 HB3 SER 104 2HB SER 104 -1.474 3.327 7.701 844 HG SER 104 HG SER 104 -0.970 5.751 7.600 845 H PHE 105 H PHE 105 -3.317 4.114 4.380 846 HA PHE 105 HA PHE 105 -3.298 6.966 3.748 847 HB2 PHE 105 1HB PHE 105 -3.773 6.451 1.342 848 HB3 PHE 105 2HB PHE 105 -2.142 6.036 1.856 849 HD1 PHE 105 1HD PHE 105 -1.729 3.588 2.540 850 HD2 PHE 105 2HD PHE 105 -5.092 4.880 0.273 851 HE1 PHE 105 1HE PHE 105 -2.056 1.291 1.721 852 HE2 PHE 105 2HE PHE 105 -5.424 2.585 -0.549 853 HZ PHE 105 HZ PHE 105 -3.906 0.787 0.175 854 H ASP 106 H ASP 106 -5.376 7.269 2.162 855 HA ASP 106 HA ASP 106 -7.604 5.824 3.437 856 HB2 ASP 106 1HB ASP 106 -8.893 7.860 3.541 857 HB3 ASP 106 2HB ASP 106 -7.344 8.141 4.333 858 H LEU 107 H LEU 107 -9.217 5.139 2.125 859 HA LEU 107 HA LEU 107 -9.047 5.891 -0.719 860 HB2 LEU 107 1HB LEU 107 -8.263 3.577 -0.212 861 HB3 LEU 107 2HB LEU 107 -9.886 3.210 0.371 862 HG LEU 107 HG LEU 107 -9.170 2.516 -2.033 863 HD11 LEU 107 1HD1 LEU 107 -11.770 3.815 -1.271 864 HD12 LEU 107 2HD1 LEU 107 -11.369 2.098 -1.302 865 HD13 LEU 107 3HD1 LEU 107 -11.533 2.992 -2.813 866 HD21 LEU 107 1HD2 LEU 107 -9.307 4.087 -3.722 867 HD22 LEU 107 2HD2 LEU 107 -8.481 4.986 -2.448 868 HD23 LEU 107 3HD2 LEU 107 -10.206 5.233 -2.727 869 H GLU 108 H GLU 108 -10.859 6.640 -1.626 870 HA GLU 108 HA GLU 108 -13.352 6.427 -0.076 871 HB2 GLU 108 1HB GLU 108 -12.340 8.555 -1.953 872 HB3 GLU 108 2HB GLU 108 -14.028 8.458 -1.473 873 HG2 GLU 108 1HG GLU 108 -13.301 9.918 0.092 874 HG3 GLU 108 2HG GLU 108 -12.955 8.414 0.945 875 H VAL 109 H VAL 109 -15.308 6.018 -1.161 876 HA VAL 109 HA VAL 109 -15.055 5.027 -3.921 877 HB VAL 109 HB VAL 109 -16.651 3.648 -1.759 878 HG11 VAL 109 1HG1 VAL 109 -17.230 2.043 -3.338 879 HG12 VAL 109 2HG1 VAL 109 -17.356 3.555 -4.240 880 HG13 VAL 109 3HG1 VAL 109 -15.940 2.521 -4.442 881 HG21 VAL 109 1HG2 VAL 109 -14.016 3.583 -1.756 882 HG22 VAL 109 2HG2 VAL 109 -14.965 2.130 -1.442 883 HG23 VAL 109 3HG2 VAL 109 -14.270 2.402 -3.040 884 H HIS 110 H HIS 110 -16.376 6.129 -5.195 885 HA HIS 110 HA HIS 110 -18.809 7.308 -4.051 886 HB2 HIS 110 1HB HIS 110 -17.262 7.963 -6.563 887 HB3 HIS 110 2HB HIS 110 -18.800 8.708 -6.139 888 HD1 HIS 110 1HD HIS 110 -17.397 10.980 -6.164 889 HD2 HIS 110 2HD HIS 110 -16.457 8.299 -3.132 890 HE1 HIS 110 1HE HIS 110 -16.104 12.311 -4.466 891 HE2 HIS 110 2HE HIS 110 -15.473 10.649 -2.682 892 H GLU 111 H GLU 111 -20.820 6.957 -4.941 893 HA GLU 111 HA GLU 111 -21.293 4.457 -6.136 894 HB2 GLU 111 1HB GLU 111 -23.077 6.885 -5.910 895 HB3 GLU 111 2HB GLU 111 -23.625 5.303 -6.445 896 HG2 GLU 111 1HG GLU 111 -22.554 4.548 -4.155 897 HG3 GLU 111 2HG GLU 111 -22.862 6.232 -3.734 898 H SER 112 H SER 112 -21.317 3.802 -8.188 899 HA SER 112 HA SER 112 -20.555 5.634 -10.270 900 HB2 SER 112 1HB SER 112 -19.666 3.330 -10.187 901 HB3 SER 112 2HB SER 112 -21.293 2.702 -10.448 902 HG SER 112 HG SER 112 -21.234 4.036 -12.434 903 H THR 113 H THR 113 -23.295 3.373 -9.932 904 HA THR 113 HA THR 113 -24.806 4.213 -12.072 905 HB THR 113 HB THR 113 -26.805 3.419 -10.817 906 HG1 THR 113 1HG THR 113 -26.273 2.463 -8.700 907 HG21 THR 113 1HG2 THR 113 -25.852 1.083 -10.356 908 HG22 THR 113 2HG2 THR 113 -24.304 1.752 -10.875 909 HG23 THR 113 3HG2 THR 113 -25.672 1.728 -11.987 910 H GLY 114 H GLY 114 -26.727 5.552 -12.193 911 HA2 GLY 114 1HA GLY 114 -28.121 7.296 -11.329 912 HA3 GLY 114 2HA GLY 114 -26.838 7.714 -10.203 913 H THR 115 H THR 115 -27.475 9.893 -11.111 914 HA THR 115 HA THR 115 -26.337 10.449 -13.740 915 HB THR 115 HB THR 115 -27.224 12.757 -13.370 916 HG1 THR 115 1HG THR 115 -28.663 11.740 -11.166 917 HG21 THR 115 1HG2 THR 115 -29.299 10.601 -12.971 918 HG22 THR 115 2HG2 THR 115 -28.532 10.973 -14.515 919 HG23 THR 115 3HG2 THR 115 -29.537 12.181 -13.716 920 H THR 116 H THR 116 -24.589 11.771 -14.099 921 HA THR 116 HA THR 116 -22.991 12.449 -11.718 922 HB THR 116 HB THR 116 -20.998 12.283 -13.128 923 HG1 THR 116 1HG THR 116 -22.932 11.988 -15.125 924 HG21 THR 116 1HG2 THR 116 -21.475 9.744 -13.845 925 HG22 THR 116 2HG2 THR 116 -22.855 10.003 -12.777 926 HG23 THR 116 3HG2 THR 116 -21.215 10.233 -12.171 927 HA PRO 117 HA PRO 117 -23.365 16.707 -12.799 928 HB2 PRO 117 1HB PRO 117 -21.214 17.661 -11.446 929 HB3 PRO 117 2HB PRO 117 -22.704 17.151 -10.644 930 HG2 PRO 117 1HG PRO 117 -20.131 15.659 -10.986 931 HG3 PRO 117 2HG PRO 117 -21.170 15.785 -9.554 932 HD2 PRO 117 1HD PRO 117 -21.196 13.625 -11.187 933 HD3 PRO 117 2HD PRO 117 -22.643 14.190 -10.326 934 H ASN 118 H ASN 118 -22.035 18.509 -13.720 935 HA ASN 118 HA ASN 118 -19.638 17.734 -15.155 936 HB2 ASN 118 1HB ASN 118 -22.036 18.727 -16.705 937 HB3 ASN 118 2HB ASN 118 -20.482 18.215 -17.357 938 HD21 ASN 118 1HD2 ASN 118 -20.028 16.051 -17.554 939 HD22 ASN 118 2HD2 ASN 118 -21.224 14.820 -17.359 940 H ILE 119 H ILE 119 -18.619 19.572 -16.250 941 HA ILE 119 HA ILE 119 -19.441 22.150 -15.081 942 HB ILE 119 HB ILE 119 -16.627 21.160 -15.556 943 HG12 ILE 119 1HG1 ILE 119 -17.814 21.994 -12.922 944 HG13 ILE 119 2HG1 ILE 119 -18.023 20.352 -13.522 945 HG21 ILE 119 1HG2 ILE 119 -16.555 23.452 -16.023 946 HG22 ILE 119 2HG2 ILE 119 -17.705 23.839 -14.745 947 HG23 ILE 119 3HG2 ILE 119 -16.067 23.334 -14.333 948 HD11 ILE 119 1HD1 ILE 119 -15.266 21.183 -13.677 949 HD12 ILE 119 2HD1 ILE 119 -15.902 21.327 -12.038 950 HD13 ILE 119 3HD1 ILE 119 -15.983 19.781 -12.882 951 H ASP 120 H ASP 120 -19.379 23.943 -16.374 952 HA ASP 120 HA ASP 120 -19.360 23.476 -19.216 953 HB2 ASP 120 1HB ASP 120 -21.026 24.972 -18.238 954 HB3 ASP 120 2HB ASP 120 -19.751 26.023 -17.631 955 H SER 121 H SER 121 -17.790 23.933 -20.636 956 HA SER 121 HA SER 121 -15.663 25.785 -19.985 957 HB2 SER 121 1HB SER 121 -15.172 22.822 -20.285 958 HB3 SER 121 2HB SER 121 -13.903 24.020 -20.538 959 HG SER 121 HG SER 121 -15.448 23.847 -18.167 960 H GLY 122 H GLY 122 -14.350 26.336 -21.807 961 HA2 GLY 122 1HA GLY 122 -15.478 25.446 -24.389 962 HA3 GLY 122 2HA GLY 122 -15.122 27.136 -24.064 963 HA PRO 123 HA PRO 123 -11.286 24.483 -25.400 964 HB2 PRO 123 1HB PRO 123 -11.652 24.102 -28.063 965 HB3 PRO 123 2HB PRO 123 -12.161 22.926 -26.845 966 HG2 PRO 123 1HG PRO 123 -13.787 24.986 -28.286 967 HG3 PRO 123 2HG PRO 123 -14.188 23.297 -27.924 968 HD2 PRO 123 1HD PRO 123 -15.144 25.367 -26.463 969 HD3 PRO 123 2HD PRO 123 -14.800 23.777 -25.754 970 H SER 124 H SER 124 -9.592 25.219 -26.943 971 HA SER 124 HA SER 124 -10.046 27.914 -28.003 972 HB2 SER 124 1HB SER 124 -7.820 28.609 -27.040 973 HB3 SER 124 2HB SER 124 -9.091 28.354 -25.845 974 HG SER 124 HG SER 124 -6.901 26.681 -26.474 975 H SER 125 H SER 125 -9.165 28.219 -29.951 976 HA SER 125 HA SER 125 -7.975 26.087 -31.359 977 HB2 SER 125 1HB SER 125 -8.260 29.028 -31.967 978 HB3 SER 125 2HB SER 125 -7.480 27.910 -33.086 979 HG SER 125 HG SER 125 -9.897 27.020 -32.155 980 H GLY 126 H GLY 126 -5.873 25.710 -32.017 981 HA2 GLY 126 1HA GLY 126 -3.786 27.455 -30.895 982 HA3 GLY 126 2HA GLY 126 -3.748 25.732 -30.551 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 20.426 4.467 14.156 2 HA2 GLY 1 1HA GLY 1 19.017 3.545 15.721 3 HA3 GLY 1 2HA GLY 1 20.350 3.634 16.863 4 H SER 2 H SER 2 17.800 5.575 15.348 5 HA SER 2 HA SER 2 17.378 6.923 17.899 6 HB2 SER 2 1HB SER 2 18.179 8.297 15.348 7 HB3 SER 2 2HB SER 2 17.182 9.132 16.539 8 HG SER 2 HG SER 2 18.863 8.608 18.084 9 H SER 3 H SER 3 15.360 8.253 17.861 10 HA SER 3 HA SER 3 13.366 6.984 16.103 11 HB2 SER 3 1HB SER 3 13.358 6.743 18.742 12 HB3 SER 3 2HB SER 3 12.571 8.319 18.656 13 HG SER 3 HG SER 3 11.266 7.049 16.924 14 H GLY 4 H GLY 4 13.205 8.406 14.435 15 HA2 GLY 4 1HA GLY 4 11.559 10.542 14.437 16 HA3 GLY 4 2HA GLY 4 13.091 11.260 14.913 17 H SER 5 H SER 5 11.134 10.586 12.339 18 HA SER 5 HA SER 5 11.437 10.368 10.073 19 HB2 SER 5 1HB SER 5 13.032 12.117 9.176 20 HB3 SER 5 2HB SER 5 11.801 12.724 10.283 21 HG SER 5 HG SER 5 14.423 12.009 11.091 22 H SER 6 H SER 6 12.901 8.417 11.602 23 HA SER 6 HA SER 6 15.423 8.128 10.153 24 HB2 SER 6 1HB SER 6 15.288 7.757 12.647 25 HB3 SER 6 2HB SER 6 14.314 6.325 12.313 26 HG SER 6 HG SER 6 17.019 6.716 12.050 27 H GLY 7 H GLY 7 15.204 7.269 8.184 28 HA2 GLY 7 1HA GLY 7 14.739 4.690 7.580 29 HA3 GLY 7 2HA GLY 7 13.110 5.347 7.613 30 H ILE 8 H ILE 8 15.022 4.301 5.452 31 HA ILE 8 HA ILE 8 14.665 6.576 3.612 32 HB ILE 8 HB ILE 8 16.608 5.841 2.355 33 HG12 ILE 8 1HG1 ILE 8 18.090 4.094 3.660 34 HG13 ILE 8 2HG1 ILE 8 16.540 3.583 4.318 35 HG21 ILE 8 1HG2 ILE 8 16.774 7.365 4.398 36 HG22 ILE 8 2HG2 ILE 8 17.468 5.973 5.226 37 HG23 ILE 8 3HG2 ILE 8 18.267 6.640 3.803 38 HD11 ILE 8 1HD1 ILE 8 16.390 3.872 1.461 39 HD12 ILE 8 2HD1 ILE 8 17.700 2.786 1.925 40 HD13 ILE 8 3HD1 ILE 8 16.055 2.467 2.472 41 H LEU 9 H LEU 9 13.928 3.346 4.322 42 HA LEU 9 HA LEU 9 13.576 2.287 1.731 43 HB2 LEU 9 1HB LEU 9 12.173 1.598 4.309 44 HB3 LEU 9 2HB LEU 9 12.115 0.634 2.835 45 HG LEU 9 HG LEU 9 14.717 1.228 4.209 46 HD11 LEU 9 1HD1 LEU 9 12.963 0.161 5.746 47 HD12 LEU 9 2HD1 LEU 9 14.526 -0.639 5.590 48 HD13 LEU 9 3HD1 LEU 9 13.126 -1.261 4.717 49 HD21 LEU 9 1HD2 LEU 9 13.845 -0.272 1.908 50 HD22 LEU 9 2HD2 LEU 9 14.667 -1.318 3.067 51 HD23 LEU 9 3HD2 LEU 9 15.480 0.118 2.442 52 H PHE 10 H PHE 10 11.110 1.405 1.349 53 HA PHE 10 HA PHE 10 9.267 2.146 0.173 54 HB2 PHE 10 1HB PHE 10 8.799 1.940 2.809 55 HB3 PHE 10 2HB PHE 10 8.403 3.641 2.588 56 HD1 PHE 10 2HD PHE 10 7.831 0.593 0.513 57 HD2 PHE 10 1HD PHE 10 6.131 3.926 2.541 58 HE1 PHE 10 2HE PHE 10 5.605 -0.038 -0.323 59 HE2 PHE 10 1HE PHE 10 3.902 3.300 1.709 60 HZ PHE 10 HZ PHE 10 3.637 1.316 0.274 61 H ILE 11 H ILE 11 11.156 3.743 -0.717 62 HA ILE 11 HA ILE 11 11.182 6.436 -0.220 63 HB ILE 11 HB ILE 11 12.583 5.182 -1.912 64 HG12 ILE 11 1HG1 ILE 11 11.495 7.636 -3.224 65 HG13 ILE 11 2HG1 ILE 11 12.206 7.787 -1.621 66 HG21 ILE 11 1HG2 ILE 11 10.424 5.849 -3.881 67 HG22 ILE 11 2HG2 ILE 11 11.818 4.789 -4.078 68 HG23 ILE 11 3HG2 ILE 11 10.466 4.288 -3.062 69 HD11 ILE 11 1HD1 ILE 11 14.088 6.324 -2.943 70 HD12 ILE 11 2HD1 ILE 11 13.480 7.390 -4.209 71 HD13 ILE 11 3HD1 ILE 11 14.122 8.072 -2.715 72 H GLU 12 H GLU 12 8.838 4.626 -2.147 73 HA GLU 12 HA GLU 12 7.265 7.088 -2.481 74 HB2 GLU 12 1HB GLU 12 7.993 5.471 -4.442 75 HB3 GLU 12 2HB GLU 12 6.590 4.554 -3.910 76 HG2 GLU 12 1HG GLU 12 5.652 5.875 -5.514 77 HG3 GLU 12 2HG GLU 12 5.385 6.866 -4.080 78 H LYS 13 H LYS 13 5.274 7.282 -1.613 79 HA LYS 13 HA LYS 13 4.180 4.946 -0.186 80 HB2 LYS 13 1HB LYS 13 4.138 7.846 0.669 81 HB3 LYS 13 2HB LYS 13 3.276 6.550 1.488 82 HG2 LYS 13 1HG LYS 13 5.171 5.674 2.400 83 HG3 LYS 13 2HG LYS 13 6.199 6.236 1.080 84 HD2 LYS 13 1HD LYS 13 4.903 8.165 2.978 85 HD3 LYS 13 2HD LYS 13 6.431 7.376 3.374 86 HE2 LYS 13 1HE LYS 13 5.981 8.907 0.821 87 HE3 LYS 13 2HE LYS 13 6.602 9.654 2.293 88 HZ1 LYS 13 1HZ LYS 13 8.328 8.912 0.676 89 HZ2 LYS 13 2HZ LYS 13 7.877 7.313 0.994 90 HZ3 LYS 13 3HZ LYS 13 8.510 8.276 2.233 91 HA PRO 14 HA PRO 14 0.672 5.651 -2.810 92 HB2 PRO 14 1HB PRO 14 -0.965 3.830 -1.637 93 HB3 PRO 14 2HB PRO 14 0.354 3.377 -2.723 94 HG2 PRO 14 1HG PRO 14 0.278 3.370 0.269 95 HG3 PRO 14 2HG PRO 14 0.946 2.154 -0.836 96 HD2 PRO 14 1HD PRO 14 2.497 3.964 0.449 97 HD3 PRO 14 2HD PRO 14 2.894 3.342 -1.166 98 H GLN 15 H GLN 15 -0.144 7.654 -2.361 99 HA GLN 15 HA GLN 15 -1.356 8.258 0.182 100 HB2 GLN 15 1HB GLN 15 -1.255 9.844 -2.390 101 HB3 GLN 15 2HB GLN 15 -1.863 10.450 -0.855 102 HG2 GLN 15 1HG GLN 15 0.943 9.809 -1.650 103 HG3 GLN 15 2HG GLN 15 0.289 11.290 -0.954 104 HE21 GLN 15 1HE2 GLN 15 2.509 9.425 -0.170 105 HE22 GLN 15 2HE2 GLN 15 2.199 9.058 1.489 106 H GLY 16 H GLY 16 -2.627 6.074 -0.915 107 HA2 GLY 16 1HA GLY 16 -4.666 5.268 -1.642 108 HA3 GLY 16 2HA GLY 16 -5.282 6.549 -0.609 109 H GLY 17 H GLY 17 -7.070 6.412 -2.230 110 HA2 GLY 17 1HA GLY 17 -6.909 8.616 -4.008 111 HA3 GLY 17 2HA GLY 17 -6.817 7.110 -4.909 112 H THR 18 H THR 18 -8.811 7.835 -5.912 113 HA THR 18 HA THR 18 -11.133 6.995 -4.334 114 HB THR 18 HB THR 18 -11.294 9.404 -6.137 115 HG1 THR 18 1HG THR 18 -9.884 9.490 -4.070 116 HG21 THR 18 1HG2 THR 18 -13.459 8.737 -5.810 117 HG22 THR 18 2HG2 THR 18 -13.249 9.739 -4.373 118 HG23 THR 18 3HG2 THR 18 -13.107 7.985 -4.254 119 H VAL 19 H VAL 19 -11.891 5.280 -5.384 120 HA VAL 19 HA VAL 19 -11.943 5.343 -8.331 121 HB VAL 19 HB VAL 19 -10.527 3.551 -7.316 122 HG11 VAL 19 1HG1 VAL 19 -12.054 3.208 -5.346 123 HG12 VAL 19 2HG1 VAL 19 -13.129 2.321 -6.429 124 HG13 VAL 19 3HG1 VAL 19 -11.492 1.733 -6.132 125 HG21 VAL 19 1HG2 VAL 19 -10.967 2.703 -9.331 126 HG22 VAL 19 2HG2 VAL 19 -12.192 1.711 -8.541 127 HG23 VAL 19 3HG2 VAL 19 -12.644 3.248 -9.279 128 H LYS 20 H LYS 20 -13.818 4.885 -9.400 129 HA LYS 20 HA LYS 20 -16.263 5.230 -7.957 130 HB2 LYS 20 1HB LYS 20 -15.684 5.988 -10.361 131 HB3 LYS 20 2HB LYS 20 -16.084 4.340 -10.824 132 HG2 LYS 20 1HG LYS 20 -18.015 5.673 -11.174 133 HG3 LYS 20 2HG LYS 20 -18.319 4.668 -9.755 134 HD2 LYS 20 1HD LYS 20 -19.094 6.840 -9.212 135 HD3 LYS 20 2HD LYS 20 -17.563 6.634 -8.357 136 HE2 LYS 20 1HE LYS 20 -17.208 8.701 -9.245 137 HE3 LYS 20 2HE LYS 20 -16.607 7.717 -10.579 138 HZ1 LYS 20 1HZ LYS 20 -18.599 9.614 -10.687 139 HZ2 LYS 20 2HZ LYS 20 -19.406 8.132 -10.807 140 HZ3 LYS 20 3HZ LYS 20 -18.176 8.516 -11.903 141 H VAL 21 H VAL 21 -18.044 3.770 -7.892 142 HA VAL 21 HA VAL 21 -17.379 1.153 -7.131 143 HB VAL 21 HB VAL 21 -20.053 2.326 -7.899 144 HG11 VAL 21 1HG1 VAL 21 -20.841 0.246 -7.918 145 HG12 VAL 21 2HG1 VAL 21 -19.293 -0.412 -7.385 146 HG13 VAL 21 3HG1 VAL 21 -20.464 0.163 -6.197 147 HG21 VAL 21 1HG2 VAL 21 -18.650 1.899 -5.271 148 HG22 VAL 21 2HG2 VAL 21 -19.201 3.420 -5.975 149 HG23 VAL 21 3HG2 VAL 21 -20.376 2.238 -5.398 150 H GLY 22 H GLY 22 -16.779 -0.494 -8.367 151 HA2 GLY 22 1HA GLY 22 -17.216 -2.131 -10.025 152 HA3 GLY 22 2HA GLY 22 -18.174 -0.949 -10.903 153 H GLU 23 H GLU 23 -15.528 0.716 -10.038 154 HA GLU 23 HA GLU 23 -14.325 0.372 -12.663 155 HB2 GLU 23 1HB GLU 23 -14.145 2.428 -10.499 156 HB3 GLU 23 2HB GLU 23 -12.846 2.318 -11.678 157 HG2 GLU 23 1HG GLU 23 -14.525 2.585 -13.480 158 HG3 GLU 23 2HG GLU 23 -15.755 2.835 -12.242 159 H ASP 24 H ASP 24 -11.768 0.807 -12.509 160 HA ASP 24 HA ASP 24 -10.686 -1.146 -10.587 161 HB2 ASP 24 1HB ASP 24 -9.205 -2.012 -12.275 162 HB3 ASP 24 2HB ASP 24 -10.846 -2.051 -12.914 163 H ILE 25 H ILE 25 -9.131 -0.370 -9.331 164 HA ILE 25 HA ILE 25 -7.598 1.965 -10.274 165 HB ILE 25 HB ILE 25 -9.044 2.772 -8.561 166 HG12 ILE 25 1HG1 ILE 25 -6.437 2.240 -7.139 167 HG13 ILE 25 2HG1 ILE 25 -6.557 3.359 -8.493 168 HG21 ILE 25 1HG2 ILE 25 -8.085 0.483 -6.847 169 HG22 ILE 25 2HG2 ILE 25 -9.187 1.762 -6.342 170 HG23 ILE 25 3HG2 ILE 25 -9.676 0.621 -7.594 171 HD11 ILE 25 1HD1 ILE 25 -8.425 4.468 -7.102 172 HD12 ILE 25 2HD1 ILE 25 -7.715 3.581 -5.753 173 HD13 ILE 25 3HD1 ILE 25 -6.741 4.740 -6.657 174 H THR 26 H THR 26 -5.426 2.124 -9.574 175 HA THR 26 HA THR 26 -4.279 -0.257 -8.306 176 HB THR 26 HB THR 26 -3.048 0.952 -10.783 177 HG1 THR 26 1HG THR 26 -5.076 -0.082 -11.255 178 HG21 THR 26 1HG2 THR 26 -1.496 -0.215 -9.308 179 HG22 THR 26 2HG2 THR 26 -1.745 -1.135 -10.791 180 HG23 THR 26 3HG2 THR 26 -2.545 -1.631 -9.300 181 H PHE 27 H PHE 27 -2.789 0.224 -6.818 182 HA PHE 27 HA PHE 27 -1.917 3.011 -6.602 183 HB2 PHE 27 1HB PHE 27 -1.648 0.799 -4.559 184 HB3 PHE 27 2HB PHE 27 -1.398 2.522 -4.293 185 HD1 PHE 27 1HD PHE 27 -3.945 -0.042 -5.051 186 HD2 PHE 27 2HD PHE 27 -3.197 3.951 -3.781 187 HE1 PHE 27 1HE PHE 27 -6.311 0.197 -4.420 188 HE2 PHE 27 2HE PHE 27 -5.561 4.196 -3.146 189 HZ PHE 27 HZ PHE 27 -7.122 2.317 -3.465 190 H ILE 28 H ILE 28 0.287 3.521 -6.127 191 HA ILE 28 HA ILE 28 2.179 1.514 -7.168 192 HB ILE 28 HB ILE 28 2.310 4.525 -7.348 193 HG12 ILE 28 1HG1 ILE 28 0.797 3.527 -8.975 194 HG13 ILE 28 2HG1 ILE 28 2.252 4.096 -9.786 195 HG21 ILE 28 1HG2 ILE 28 4.509 4.383 -7.594 196 HG22 ILE 28 2HG2 ILE 28 4.428 2.655 -7.253 197 HG23 ILE 28 3HG2 ILE 28 4.303 3.233 -8.915 198 HD11 ILE 28 1HD1 ILE 28 3.097 1.713 -9.613 199 HD12 ILE 28 2HD1 ILE 28 1.447 1.277 -9.168 200 HD13 ILE 28 3HD1 ILE 28 1.772 2.015 -10.737 201 H ALA 29 H ALA 29 3.980 1.040 -6.018 202 HA ALA 29 HA ALA 29 4.760 2.702 -3.761 203 HB1 ALA 29 1HB ALA 29 3.006 0.762 -3.194 204 HB2 ALA 29 2HB ALA 29 4.504 -0.162 -3.078 205 HB3 ALA 29 3HB ALA 29 4.272 1.271 -2.077 206 H LYS 30 H LYS 30 6.909 2.734 -3.506 207 HA LYS 30 HA LYS 30 8.486 0.675 -4.908 208 HB2 LYS 30 1HB LYS 30 8.721 3.623 -4.791 209 HB3 LYS 30 2HB LYS 30 10.231 2.727 -4.694 210 HG2 LYS 30 1HG LYS 30 9.754 3.336 -6.983 211 HG3 LYS 30 2HG LYS 30 9.678 1.583 -6.789 212 HD2 LYS 30 1HD LYS 30 7.761 1.901 -7.981 213 HD3 LYS 30 2HD LYS 30 7.117 2.123 -6.353 214 HE2 LYS 30 1HE LYS 30 6.416 3.858 -8.026 215 HE3 LYS 30 2HE LYS 30 7.172 4.488 -6.563 216 HZ1 LYS 30 1HZ LYS 30 8.936 3.944 -8.816 217 HZ2 LYS 30 2HZ LYS 30 8.973 5.207 -7.693 218 HZ3 LYS 30 3HZ LYS 30 7.883 5.257 -8.985 219 H VAL 31 H VAL 31 10.621 0.226 -3.985 220 HA VAL 31 HA VAL 31 10.924 0.877 -1.151 221 HB VAL 31 HB VAL 31 11.115 -1.980 -2.097 222 HG11 VAL 31 1HG1 VAL 31 12.073 -0.702 0.177 223 HG12 VAL 31 2HG1 VAL 31 10.605 -1.522 0.712 224 HG13 VAL 31 3HG1 VAL 31 11.897 -2.439 -0.064 225 HG21 VAL 31 1HG2 VAL 31 8.782 -0.415 -1.154 226 HG22 VAL 31 2HG2 VAL 31 8.855 -1.786 -2.262 227 HG23 VAL 31 3HG2 VAL 31 8.967 -2.052 -0.522 228 H LYS 32 H LYS 32 12.962 1.387 -0.702 229 HA LYS 32 HA LYS 32 15.002 1.136 -2.699 230 HB2 LYS 32 1HB LYS 32 14.696 3.042 -1.010 231 HB3 LYS 32 2HB LYS 32 15.440 1.964 0.164 232 HG2 LYS 32 1HG LYS 32 17.250 3.168 -0.557 233 HG3 LYS 32 2HG LYS 32 17.322 1.768 -1.630 234 HD2 LYS 32 1HD LYS 32 15.780 3.316 -3.134 235 HD3 LYS 32 2HD LYS 32 16.592 4.589 -2.221 236 HE2 LYS 32 1HE LYS 32 18.240 2.413 -3.408 237 HE3 LYS 32 2HE LYS 32 17.591 3.654 -4.478 238 HZ1 LYS 32 1HZ LYS 32 19.901 3.922 -3.260 239 HZ2 LYS 32 2HZ LYS 32 18.918 4.550 -2.036 240 HZ3 LYS 32 3HZ LYS 32 18.901 5.249 -3.577 241 H ALA 33 H ALA 33 16.071 -0.687 -3.055 242 HA ALA 33 HA ALA 33 16.743 -2.394 -0.746 243 HB1 ALA 33 1HB ALA 33 16.896 -3.892 -3.152 244 HB2 ALA 33 2HB ALA 33 15.797 -4.106 -1.789 245 HB3 ALA 33 3HB ALA 33 15.347 -3.049 -3.128 246 H GLU 34 H GLU 34 18.751 -3.609 -0.929 247 HA GLU 34 HA GLU 34 20.749 -2.201 -2.576 248 HB2 GLU 34 1HB GLU 34 21.278 -3.549 0.072 249 HB3 GLU 34 2HB GLU 34 22.369 -2.513 -0.837 250 HG2 GLU 34 1HG GLU 34 21.178 -0.583 -0.301 251 HG3 GLU 34 2HG GLU 34 19.747 -1.491 0.182 252 H ASP 35 H ASP 35 19.770 -5.294 -1.189 253 HA ASP 35 HA ASP 35 21.710 -6.690 -2.881 254 HB2 ASP 35 1HB ASP 35 21.193 -7.164 -0.329 255 HB3 ASP 35 2HB ASP 35 19.884 -8.130 -1.004 256 H LEU 36 H LEU 36 21.122 -7.550 -4.754 257 HA LEU 36 HA LEU 36 18.518 -7.351 -5.787 258 HB2 LEU 36 1HB LEU 36 20.631 -9.256 -6.762 259 HB3 LEU 36 2HB LEU 36 19.325 -8.522 -7.690 260 HG LEU 36 HG LEU 36 21.730 -7.080 -6.572 261 HD11 LEU 36 1HD1 LEU 36 21.051 -7.540 -9.460 262 HD12 LEU 36 2HD1 LEU 36 22.052 -8.662 -8.540 263 HD13 LEU 36 3HD1 LEU 36 22.573 -6.992 -8.758 264 HD21 LEU 36 1HD2 LEU 36 20.921 -5.127 -7.640 265 HD22 LEU 36 2HD2 LEU 36 19.579 -5.772 -6.695 266 HD23 LEU 36 3HD2 LEU 36 19.626 -6.015 -8.441 267 H LEU 37 H LEU 37 20.280 -10.086 -4.391 268 HA LEU 37 HA LEU 37 18.415 -12.093 -4.906 269 HB2 LEU 37 1HB LEU 37 20.129 -11.889 -2.440 270 HB3 LEU 37 2HB LEU 37 19.482 -13.354 -3.175 271 HG LEU 37 HG LEU 37 21.501 -11.579 -4.534 272 HD11 LEU 37 1HD1 LEU 37 22.714 -13.970 -3.733 273 HD12 LEU 37 2HD1 LEU 37 21.867 -13.360 -2.312 274 HD13 LEU 37 3HD1 LEU 37 23.046 -12.342 -3.139 275 HD21 LEU 37 1HD2 LEU 37 21.334 -14.443 -5.139 276 HD22 LEU 37 2HD2 LEU 37 21.478 -13.058 -6.222 277 HD23 LEU 37 3HD2 LEU 37 19.900 -13.515 -5.578 278 H ARG 38 H ARG 38 18.805 -10.163 -1.931 279 HA ARG 38 HA ARG 38 16.509 -11.169 -0.649 280 HB2 ARG 38 1HB ARG 38 17.707 -8.435 -0.206 281 HB3 ARG 38 2HB ARG 38 16.803 -9.412 0.944 282 HG2 ARG 38 1HG ARG 38 19.509 -10.115 -0.174 283 HG3 ARG 38 2HG ARG 38 19.213 -9.385 1.406 284 HD2 ARG 38 1HD ARG 38 17.833 -11.353 2.004 285 HD3 ARG 38 2HD ARG 38 18.259 -12.084 0.457 286 HE ARG 38 HE ARG 38 20.576 -11.349 1.933 287 HH11 ARG 38 2HH1 ARG 38 18.067 -13.752 1.712 288 HH12 ARG 38 1HH1 ARG 38 19.029 -15.010 2.415 289 HH21 ARG 38 2HH2 ARG 38 21.853 -12.997 2.860 290 HH22 ARG 38 1HH2 ARG 38 21.182 -14.579 3.069 291 H LYS 39 H LYS 39 14.407 -10.626 -0.736 292 HA LYS 39 HA LYS 39 13.639 -8.248 -2.286 293 HB2 LYS 39 1HB LYS 39 13.279 -10.020 -3.817 294 HB3 LYS 39 2HB LYS 39 12.598 -11.060 -2.572 295 HG2 LYS 39 1HG LYS 39 10.565 -9.959 -2.577 296 HG3 LYS 39 2HG LYS 39 11.245 -8.496 -3.295 297 HD2 LYS 39 1HD LYS 39 10.218 -9.338 -5.142 298 HD3 LYS 39 2HD LYS 39 11.756 -10.193 -5.284 299 HE2 LYS 39 1HE LYS 39 9.648 -11.581 -5.555 300 HE3 LYS 39 2HE LYS 39 10.850 -12.182 -4.414 301 HZ1 LYS 39 1HZ LYS 39 8.658 -10.468 -3.457 302 HZ2 LYS 39 2HZ LYS 39 9.545 -11.638 -2.618 303 HZ3 LYS 39 3HZ LYS 39 8.371 -12.111 -3.739 304 HA PRO 40 HA PRO 40 11.387 -7.607 1.522 305 HB2 PRO 40 1HB PRO 40 10.425 -5.162 0.839 306 HB3 PRO 40 2HB PRO 40 12.083 -5.421 1.395 307 HG2 PRO 40 1HG PRO 40 11.048 -5.116 -1.397 308 HG3 PRO 40 2HG PRO 40 12.498 -4.411 -0.658 309 HD2 PRO 40 1HD PRO 40 12.593 -6.591 -2.261 310 HD3 PRO 40 2HD PRO 40 13.722 -6.347 -0.913 311 H THR 41 H THR 41 9.376 -8.202 2.051 312 HA THR 41 HA THR 41 7.405 -8.504 -0.091 313 HB THR 41 HB THR 41 7.349 -9.585 2.734 314 HG1 THR 41 1HG THR 41 7.659 -11.186 0.445 315 HG21 THR 41 1HG2 THR 41 5.706 -11.085 1.020 316 HG22 THR 41 2HG2 THR 41 5.328 -9.393 0.697 317 HG23 THR 41 3HG2 THR 41 5.201 -10.028 2.338 318 H ILE 42 H ILE 42 5.469 -7.472 -0.123 319 HA ILE 42 HA ILE 42 5.010 -5.468 1.988 320 HB ILE 42 HB ILE 42 5.457 -4.506 -0.242 321 HG12 ILE 42 1HG1 ILE 42 2.551 -4.022 0.315 322 HG13 ILE 42 2HG1 ILE 42 3.751 -3.598 1.532 323 HG21 ILE 42 1HG2 ILE 42 4.397 -5.112 -2.134 324 HG22 ILE 42 2HG2 ILE 42 4.073 -6.597 -1.241 325 HG23 ILE 42 3HG2 ILE 42 2.848 -5.331 -1.321 326 HD11 ILE 42 1HD1 ILE 42 4.905 -2.304 -0.358 327 HD12 ILE 42 2HD1 ILE 42 3.365 -2.461 -1.204 328 HD13 ILE 42 3HD1 ILE 42 3.436 -1.632 0.350 329 H LYS 43 H LYS 43 3.131 -5.474 3.076 330 HA LYS 43 HA LYS 43 1.019 -7.314 2.156 331 HB2 LYS 43 1HB LYS 43 2.296 -8.102 4.177 332 HB3 LYS 43 2HB LYS 43 1.688 -6.693 5.036 333 HG2 LYS 43 1HG LYS 43 0.148 -8.228 5.688 334 HG3 LYS 43 2HG LYS 43 -0.639 -7.637 4.222 335 HD2 LYS 43 1HD LYS 43 -0.779 -9.888 3.852 336 HD3 LYS 43 2HD LYS 43 0.790 -9.567 3.111 337 HE2 LYS 43 1HE LYS 43 0.877 -11.538 4.548 338 HE3 LYS 43 2HE LYS 43 1.909 -10.251 5.168 339 HZ1 LYS 43 1HZ LYS 43 -0.124 -11.591 6.504 340 HZ2 LYS 43 2HZ LYS 43 -0.668 -10.006 6.277 341 HZ3 LYS 43 3HZ LYS 43 0.800 -10.291 7.068 342 H TRP 44 H TRP 44 -0.785 -6.287 1.638 343 HA TRP 44 HA TRP 44 -1.244 -3.577 2.578 344 HB2 TRP 44 1HB TRP 44 -2.936 -5.234 0.697 345 HB3 TRP 44 2HB TRP 44 -3.020 -3.492 0.938 346 HD1 TRP 44 HD TRP 44 -0.572 -6.144 -0.462 347 HE1 TRP 44 1HE TRP 44 0.867 -5.019 -2.276 348 HE3 TRP 44 3HE TRP 44 -2.272 -1.346 0.013 349 HZ2 TRP 44 2HZ TRP 44 1.233 -2.440 -3.361 350 HZ3 TRP 44 3HZ TRP 44 -1.326 0.391 -1.451 351 HH2 TRP 44 HH TRP 44 0.391 -0.147 -3.102 352 H PHE 45 H PHE 45 -2.658 -2.998 4.109 353 HA PHE 45 HA PHE 45 -4.578 -5.017 5.063 354 HB2 PHE 45 1HB PHE 45 -2.750 -3.231 6.653 355 HB3 PHE 45 2HB PHE 45 -4.221 -3.894 7.356 356 HD1 PHE 45 1HD PHE 45 -4.493 -6.390 7.462 357 HD2 PHE 45 2HD PHE 45 -0.800 -4.516 6.480 358 HE1 PHE 45 1HE PHE 45 -3.298 -8.472 8.001 359 HE2 PHE 45 2HE PHE 45 0.401 -6.595 7.016 360 HZ PHE 45 HZ PHE 45 -0.847 -8.577 7.777 361 H LYS 46 H LYS 46 -6.398 -4.051 6.315 362 HA LYS 46 HA LYS 46 -7.007 -1.280 5.625 363 HB2 LYS 46 1HB LYS 46 -7.899 -3.025 3.888 364 HB3 LYS 46 2HB LYS 46 -9.110 -3.355 5.120 365 HG2 LYS 46 1HG LYS 46 -8.621 -0.538 4.281 366 HG3 LYS 46 2HG LYS 46 -9.566 -1.606 3.239 367 HD2 LYS 46 1HD LYS 46 -10.850 -2.147 5.449 368 HD3 LYS 46 2HD LYS 46 -10.171 -0.612 5.993 369 HE2 LYS 46 1HE LYS 46 -12.114 0.150 5.081 370 HE3 LYS 46 2HE LYS 46 -11.091 0.201 3.646 371 HZ1 LYS 46 1HZ LYS 46 -12.172 -1.526 2.700 372 HZ2 LYS 46 2HZ LYS 46 -13.445 -0.980 3.671 373 HZ3 LYS 46 3HZ LYS 46 -12.504 -2.294 4.171 374 H GLY 47 H GLY 47 -8.524 -0.292 6.980 375 HA2 GLY 47 1HA GLY 47 -9.677 0.064 8.932 376 HA3 GLY 47 2HA GLY 47 -10.109 -1.639 8.877 377 H LYS 48 H LYS 48 -9.707 -2.460 10.823 378 HA LYS 48 HA LYS 48 -7.233 -1.682 12.203 379 HB2 LYS 48 1HB LYS 48 -9.677 -1.597 13.223 380 HB3 LYS 48 2HB LYS 48 -9.360 -3.298 13.535 381 HG2 LYS 48 1HG LYS 48 -7.162 -2.439 14.601 382 HG3 LYS 48 2HG LYS 48 -7.999 -0.886 14.654 383 HD2 LYS 48 1HD LYS 48 -9.905 -2.142 15.793 384 HD3 LYS 48 2HD LYS 48 -8.758 -3.468 15.996 385 HE2 LYS 48 1HE LYS 48 -7.328 -2.141 17.343 386 HE3 LYS 48 2HE LYS 48 -8.190 -0.662 16.922 387 HZ1 LYS 48 1HZ LYS 48 -10.160 -2.069 17.998 388 HZ2 LYS 48 2HZ LYS 48 -9.164 -1.043 18.901 389 HZ3 LYS 48 3HZ LYS 48 -8.862 -2.708 18.874 390 H TRP 49 H TRP 49 -9.204 -4.545 11.448 391 HA TRP 49 HA TRP 49 -6.762 -6.176 11.707 392 HB2 TRP 49 1HB TRP 49 -9.533 -7.320 11.903 393 HB3 TRP 49 2HB TRP 49 -8.019 -7.975 12.520 394 HD1 TRP 49 HD TRP 49 -10.756 -5.445 13.373 395 HE1 TRP 49 1HE TRP 49 -10.532 -4.794 15.853 396 HE3 TRP 49 3HE TRP 49 -6.332 -7.780 14.429 397 HZ2 TRP 49 2HZ TRP 49 -8.720 -5.215 17.976 398 HZ3 TRP 49 3HZ TRP 49 -5.422 -7.607 16.708 399 HH2 TRP 49 HH TRP 49 -6.592 -6.350 18.443 400 H MET 50 H MET 50 -9.640 -5.513 9.806 401 HA MET 50 HA MET 50 -9.686 -7.471 7.935 402 HB2 MET 50 1HB MET 50 -10.981 -5.181 8.120 403 HB3 MET 50 2HB MET 50 -9.789 -4.654 6.940 404 HG2 MET 50 1HG MET 50 -10.470 -6.632 5.540 405 HG3 MET 50 2HG MET 50 -11.810 -6.856 6.662 406 HE1 MET 50 1HE MET 50 -10.039 -5.033 4.136 407 HE2 MET 50 2HE MET 50 -11.410 -4.856 3.041 408 HE3 MET 50 3HE MET 50 -10.813 -3.460 3.941 409 H ASP 51 H ASP 51 -8.224 -8.371 6.656 410 HA ASP 51 HA ASP 51 -5.890 -6.770 5.839 411 HB2 ASP 51 1HB ASP 51 -5.276 -8.665 7.238 412 HB3 ASP 51 2HB ASP 51 -6.158 -9.764 6.181 413 H LEU 52 H LEU 52 -5.770 -6.238 3.769 414 HA LEU 52 HA LEU 52 -7.641 -7.173 1.850 415 HB2 LEU 52 1HB LEU 52 -5.069 -5.721 1.280 416 HB3 LEU 52 2HB LEU 52 -6.529 -5.754 0.294 417 HG LEU 52 HG LEU 52 -6.356 -4.468 3.017 418 HD11 LEU 52 1HD1 LEU 52 -5.491 -3.533 0.401 419 HD12 LEU 52 2HD1 LEU 52 -5.179 -2.868 2.004 420 HD13 LEU 52 3HD1 LEU 52 -6.675 -2.467 1.160 421 HD21 LEU 52 1HD2 LEU 52 -8.467 -4.715 0.920 422 HD22 LEU 52 2HD2 LEU 52 -8.416 -3.279 1.944 423 HD23 LEU 52 3HD2 LEU 52 -8.597 -4.876 2.672 424 H ALA 53 H ALA 53 -4.245 -7.883 2.495 425 HA ALA 53 HA ALA 53 -3.426 -9.267 0.321 426 HB1 ALA 53 1HB ALA 53 -1.737 -9.892 1.630 427 HB2 ALA 53 2HB ALA 53 -2.571 -9.058 2.942 428 HB3 ALA 53 3HB ALA 53 -2.805 -10.790 2.709 429 H SER 54 H SER 54 -5.686 -10.411 2.771 430 HA SER 54 HA SER 54 -5.885 -13.040 1.593 431 HB2 SER 54 1HB SER 54 -6.131 -12.749 4.023 432 HB3 SER 54 2HB SER 54 -7.549 -11.734 3.761 433 HG SER 54 HG SER 54 -8.664 -13.500 3.683 434 H LYS 55 H LYS 55 -7.546 -9.999 1.391 435 HA LYS 55 HA LYS 55 -9.976 -10.962 0.279 436 HB2 LYS 55 1HB LYS 55 -8.740 -8.229 -0.082 437 HB3 LYS 55 2HB LYS 55 -10.435 -8.654 -0.278 438 HG2 LYS 55 1HG LYS 55 -9.047 -9.048 2.344 439 HG3 LYS 55 2HG LYS 55 -9.694 -7.472 1.880 440 HD2 LYS 55 1HD LYS 55 -11.889 -8.672 1.437 441 HD3 LYS 55 2HD LYS 55 -11.183 -10.059 2.269 442 HE2 LYS 55 1HE LYS 55 -11.164 -7.362 3.561 443 HE3 LYS 55 2HE LYS 55 -12.628 -8.344 3.594 444 HZ1 LYS 55 1HZ LYS 55 -9.962 -9.115 4.650 445 HZ2 LYS 55 2HZ LYS 55 -11.306 -10.141 4.596 446 HZ3 LYS 55 3HZ LYS 55 -11.341 -8.751 5.561 447 H ALA 56 H ALA 56 -6.839 -10.263 -1.027 448 HA ALA 56 HA ALA 56 -7.485 -9.875 -3.723 449 HB1 ALA 56 1HB ALA 56 -5.114 -10.309 -2.171 450 HB2 ALA 56 2HB ALA 56 -5.046 -11.262 -3.655 451 HB3 ALA 56 3HB ALA 56 -5.296 -9.518 -3.737 452 H GLY 57 H GLY 57 -8.700 -11.204 -4.909 453 HA2 GLY 57 1HA GLY 57 -7.866 -13.951 -5.263 454 HA3 GLY 57 2HA GLY 57 -9.442 -13.768 -4.507 455 H LYS 58 H LYS 58 -10.903 -12.146 -5.732 456 HA LYS 58 HA LYS 58 -10.598 -12.585 -8.629 457 HB2 LYS 58 1HB LYS 58 -12.406 -13.945 -7.240 458 HB3 LYS 58 2HB LYS 58 -13.324 -12.455 -7.421 459 HG2 LYS 58 1HG LYS 58 -12.628 -12.746 -9.950 460 HG3 LYS 58 2HG LYS 58 -12.496 -14.439 -9.467 461 HD2 LYS 58 1HD LYS 58 -14.934 -12.763 -8.907 462 HD3 LYS 58 2HD LYS 58 -14.741 -13.708 -10.385 463 HE2 LYS 58 1HE LYS 58 -14.354 -15.019 -7.729 464 HE3 LYS 58 2HE LYS 58 -15.987 -14.719 -8.321 465 HZ1 LYS 58 1HZ LYS 58 -13.916 -16.497 -9.412 466 HZ2 LYS 58 2HZ LYS 58 -15.079 -15.849 -10.454 467 HZ3 LYS 58 3HZ LYS 58 -15.558 -16.803 -9.142 468 H HIS 59 H HIS 59 -12.330 -10.667 -6.178 469 HA HIS 59 HA HIS 59 -12.822 -8.522 -8.036 470 HB2 HIS 59 1HB HIS 59 -13.278 -8.792 -5.062 471 HB3 HIS 59 2HB HIS 59 -13.697 -7.348 -5.978 472 HD1 HIS 59 1HD HIS 59 -15.603 -7.643 -7.802 473 HD2 HIS 59 2HD HIS 59 -15.101 -10.844 -5.201 474 HE1 HIS 59 1HE HIS 59 -17.685 -9.034 -8.038 475 HE2 HIS 59 2HE HIS 59 -17.395 -10.919 -6.393 476 H LEU 60 H LEU 60 -10.243 -9.457 -6.055 477 HA LEU 60 HA LEU 60 -8.967 -6.847 -6.460 478 HB2 LEU 60 1HB LEU 60 -9.627 -6.754 -4.188 479 HB3 LEU 60 2HB LEU 60 -9.106 -8.412 -3.897 480 HG LEU 60 HG LEU 60 -6.744 -7.351 -4.544 481 HD11 LEU 60 1HD1 LEU 60 -6.824 -5.138 -4.725 482 HD12 LEU 60 2HD1 LEU 60 -7.143 -5.087 -2.992 483 HD13 LEU 60 3HD1 LEU 60 -8.486 -5.079 -4.135 484 HD21 LEU 60 1HD2 LEU 60 -6.280 -7.902 -2.437 485 HD22 LEU 60 2HD2 LEU 60 -7.998 -8.254 -2.248 486 HD23 LEU 60 3HD2 LEU 60 -7.366 -6.670 -1.794 487 H GLN 61 H GLN 61 -6.773 -6.908 -6.865 488 HA GLN 61 HA GLN 61 -5.364 -9.448 -6.712 489 HB2 GLN 61 1HB GLN 61 -5.753 -7.962 -9.315 490 HB3 GLN 61 2HB GLN 61 -4.633 -9.298 -9.081 491 HG2 GLN 61 1HG GLN 61 -7.527 -9.657 -8.454 492 HG3 GLN 61 2HG GLN 61 -6.970 -9.721 -10.125 493 HE21 GLN 61 1HE2 GLN 61 -7.341 -11.416 -7.233 494 HE22 GLN 61 2HE2 GLN 61 -6.486 -12.851 -7.674 495 H LEU 62 H LEU 62 -3.384 -9.097 -5.966 496 HA LEU 62 HA LEU 62 -2.332 -6.385 -5.939 497 HB2 LEU 62 1HB LEU 62 -1.069 -8.832 -4.735 498 HB3 LEU 62 2HB LEU 62 -0.781 -7.145 -4.317 499 HG LEU 62 HG LEU 62 -3.320 -8.682 -3.766 500 HD11 LEU 62 1HD1 LEU 62 -0.889 -8.801 -2.432 501 HD12 LEU 62 2HD1 LEU 62 -2.463 -9.301 -1.812 502 HD13 LEU 62 3HD1 LEU 62 -1.862 -7.676 -1.483 503 HD21 LEU 62 1HD2 LEU 62 -3.433 -6.153 -4.194 504 HD22 LEU 62 2HD2 LEU 62 -2.569 -5.995 -2.664 505 HD23 LEU 62 3HD2 LEU 62 -4.151 -6.776 -2.708 506 H LYS 63 H LYS 63 0.039 -6.092 -6.350 507 HA LYS 63 HA LYS 63 1.106 -7.891 -8.398 508 HB2 LYS 63 1HB LYS 63 -0.191 -5.675 -9.209 509 HB3 LYS 63 2HB LYS 63 1.409 -4.993 -8.950 510 HG2 LYS 63 1HG LYS 63 1.642 -5.605 -11.115 511 HG3 LYS 63 2HG LYS 63 2.124 -7.126 -10.360 512 HD2 LYS 63 1HD LYS 63 0.121 -8.164 -10.871 513 HD3 LYS 63 2HD LYS 63 -0.753 -6.637 -11.010 514 HE2 LYS 63 1HE LYS 63 0.695 -6.174 -13.048 515 HE3 LYS 63 2HE LYS 63 1.178 -7.867 -12.960 516 HZ1 LYS 63 1HZ LYS 63 -1.013 -6.890 -14.250 517 HZ2 LYS 63 2HZ LYS 63 -1.659 -7.533 -12.826 518 HZ3 LYS 63 3HZ LYS 63 -0.738 -8.511 -13.853 519 H GLU 64 H GLU 64 3.371 -7.795 -8.654 520 HA GLU 64 HA GLU 64 4.907 -6.010 -6.964 521 HB2 GLU 64 1HB GLU 64 4.693 -7.574 -5.281 522 HB3 GLU 64 2HB GLU 64 4.581 -8.923 -6.403 523 HG2 GLU 64 1HG GLU 64 6.963 -8.759 -6.864 524 HG3 GLU 64 2HG GLU 64 7.088 -7.381 -5.772 525 H THR 65 H THR 65 6.796 -5.510 -7.890 526 HA THR 65 HA THR 65 8.000 -7.359 -9.812 527 HB THR 65 HB THR 65 6.556 -5.776 -11.096 528 HG1 THR 65 1HG THR 65 8.242 -5.253 -12.581 529 HG21 THR 65 1HG2 THR 65 6.597 -3.753 -9.939 530 HG22 THR 65 2HG2 THR 65 7.631 -3.434 -11.332 531 HG23 THR 65 3HG2 THR 65 8.351 -3.780 -9.760 532 H PHE 66 H PHE 66 10.221 -6.735 -10.404 533 HA PHE 66 HA PHE 66 11.512 -5.133 -8.295 534 HB2 PHE 66 1HB PHE 66 12.024 -7.426 -7.833 535 HB3 PHE 66 2HB PHE 66 12.416 -7.741 -9.520 536 HD1 PHE 66 1HD PHE 66 13.478 -5.503 -6.730 537 HD2 PHE 66 2HD PHE 66 14.630 -7.820 -10.109 538 HE1 PHE 66 1HE PHE 66 15.840 -4.993 -6.270 539 HE2 PHE 66 2HE PHE 66 16.995 -7.315 -9.654 540 HZ PHE 66 HZ PHE 66 17.603 -5.900 -7.732 541 H GLU 67 H GLU 67 13.280 -3.875 -8.882 542 HA GLU 67 HA GLU 67 13.860 -3.710 -11.762 543 HB2 GLU 67 1HB GLU 67 12.989 -1.555 -9.894 544 HB3 GLU 67 2HB GLU 67 14.158 -1.147 -11.142 545 HG2 GLU 67 1HG GLU 67 12.584 -2.043 -12.835 546 HG3 GLU 67 2HG GLU 67 11.402 -2.282 -11.549 547 H ARG 68 H ARG 68 15.834 -4.711 -11.623 548 HA ARG 68 HA ARG 68 17.762 -4.252 -9.629 549 HB2 ARG 68 1HB ARG 68 19.330 -5.087 -11.591 550 HB3 ARG 68 2HB ARG 68 18.219 -6.181 -10.778 551 HG2 ARG 68 1HG ARG 68 17.214 -4.741 -13.164 552 HG3 ARG 68 2HG ARG 68 18.392 -6.031 -13.416 553 HD2 ARG 68 1HD ARG 68 16.964 -7.661 -12.705 554 HD3 ARG 68 2HD ARG 68 16.113 -6.584 -11.599 555 HE ARG 68 HE ARG 68 15.399 -5.627 -14.010 556 HH11 ARG 68 2HH1 ARG 68 15.402 -8.834 -12.656 557 HH12 ARG 68 1HH1 ARG 68 14.049 -9.373 -13.595 558 HH21 ARG 68 2HH2 ARG 68 13.617 -6.324 -15.251 559 HH22 ARG 68 1HH2 ARG 68 13.035 -7.945 -15.071 560 H HIS 69 H HIS 69 17.004 -2.570 -12.590 561 HA HIS 69 HA HIS 69 19.246 -1.178 -13.213 562 HB2 HIS 69 1HB HIS 69 16.512 0.096 -12.995 563 HB3 HIS 69 2HB HIS 69 17.836 0.607 -14.039 564 HD1 HIS 69 1HD HIS 69 15.297 -2.150 -13.654 565 HD2 HIS 69 2HD HIS 69 18.012 -0.715 -16.453 566 HE1 HIS 69 1HE HIS 69 14.796 -3.399 -15.779 567 HE2 HIS 69 2HE HIS 69 16.506 -2.576 -17.434 568 H SER 70 H SER 70 16.964 -0.338 -10.623 569 HA SER 70 HA SER 70 19.038 1.427 -9.495 570 HB2 SER 70 1HB SER 70 16.751 2.401 -10.370 571 HB3 SER 70 2HB SER 70 16.142 1.798 -8.828 572 HG SER 70 HG SER 70 18.201 3.005 -8.062 573 H ARG 71 H ARG 71 17.718 -1.494 -9.122 574 HA ARG 71 HA ARG 71 17.606 -2.998 -7.419 575 HB2 ARG 71 1HB ARG 71 19.146 -0.877 -5.912 576 HB3 ARG 71 2HB ARG 71 18.920 -2.537 -5.378 577 HG2 ARG 71 1HG ARG 71 19.981 -3.048 -7.752 578 HG3 ARG 71 2HG ARG 71 20.672 -1.444 -7.501 579 HD2 ARG 71 1HD ARG 71 21.203 -2.469 -5.111 580 HD3 ARG 71 2HD ARG 71 21.142 -3.977 -6.023 581 HE ARG 71 HE ARG 71 23.109 -3.400 -7.056 582 HH11 ARG 71 2HH1 ARG 71 21.808 -0.628 -5.400 583 HH12 ARG 71 1HH1 ARG 71 23.229 0.338 -5.627 584 HH21 ARG 71 2HH2 ARG 71 24.985 -2.139 -7.361 585 HH22 ARG 71 1HH2 ARG 71 25.035 -0.522 -6.744 586 H VAL 72 H VAL 72 15.472 -1.098 -7.805 587 HA VAL 72 HA VAL 72 14.430 -0.909 -5.053 588 HB VAL 72 HB VAL 72 13.837 0.822 -7.452 589 HG11 VAL 72 1HG1 VAL 72 11.789 1.131 -6.645 590 HG12 VAL 72 2HG1 VAL 72 12.141 0.147 -5.223 591 HG13 VAL 72 3HG1 VAL 72 12.523 1.869 -5.223 592 HG21 VAL 72 1HG2 VAL 72 14.519 2.616 -5.792 593 HG22 VAL 72 2HG2 VAL 72 15.120 1.307 -4.775 594 HG23 VAL 72 3HG2 VAL 72 15.805 1.562 -6.380 595 H TYR 73 H TYR 73 12.565 -1.919 -4.578 596 HA TYR 73 HA TYR 73 11.337 -3.532 -6.679 597 HB2 TYR 73 1HB TYR 73 11.190 -3.597 -3.669 598 HB3 TYR 73 2HB TYR 73 10.104 -4.547 -4.676 599 HD1 TYR 73 2HD TYR 73 13.676 -3.998 -3.851 600 HD2 TYR 73 1HD TYR 73 10.804 -6.595 -5.614 601 HE1 TYR 73 2HE TYR 73 15.378 -5.767 -4.004 602 HE2 TYR 73 1HE TYR 73 12.498 -8.371 -5.772 603 HH TYR 73 HH TYR 73 14.980 -8.545 -5.867 604 H THR 74 H THR 74 9.317 -3.241 -7.429 605 HA THR 74 HA THR 74 7.751 -1.033 -6.263 606 HB THR 74 HB THR 74 7.491 -1.995 -9.107 607 HG1 THR 74 1HG THR 74 8.938 0.329 -8.456 608 HG21 THR 74 1HG2 THR 74 6.513 0.332 -7.511 609 HG22 THR 74 2HG2 THR 74 5.648 -0.682 -8.665 610 HG23 THR 74 3HG2 THR 74 6.791 0.531 -9.240 611 H PHE 75 H PHE 75 5.883 -1.571 -5.359 612 HA PHE 75 HA PHE 75 4.571 -4.066 -6.219 613 HB2 PHE 75 1HB PHE 75 4.339 -2.907 -3.447 614 HB3 PHE 75 2HB PHE 75 3.917 -4.528 -3.991 615 HD1 PHE 75 1HD PHE 75 6.190 -5.524 -5.357 616 HD2 PHE 75 2HD PHE 75 6.057 -2.995 -1.936 617 HE1 PHE 75 1HE PHE 75 8.414 -6.330 -4.678 618 HE2 PHE 75 2HE PHE 75 8.280 -3.796 -1.252 619 HZ PHE 75 HZ PHE 75 9.462 -5.466 -2.624 620 H GLU 76 H GLU 76 2.594 -3.834 -7.022 621 HA GLU 76 HA GLU 76 1.143 -1.335 -6.452 622 HB2 GLU 76 1HB GLU 76 0.697 -3.095 -8.855 623 HB3 GLU 76 2HB GLU 76 0.173 -1.435 -8.614 624 HG2 GLU 76 1HG GLU 76 2.220 -0.563 -9.110 625 HG3 GLU 76 2HG GLU 76 3.086 -2.004 -8.579 626 H MET 77 H MET 77 -1.281 -1.564 -6.677 627 HA MET 77 HA MET 77 -2.236 -4.191 -5.785 628 HB2 MET 77 1HB MET 77 -1.957 -2.959 -3.744 629 HB3 MET 77 2HB MET 77 -2.756 -1.547 -4.423 630 HG2 MET 77 1HG MET 77 -4.862 -2.541 -4.322 631 HG3 MET 77 2HG MET 77 -4.189 -4.160 -4.149 632 HE1 MET 77 1HE MET 77 -3.964 -0.885 -0.973 633 HE2 MET 77 2HE MET 77 -3.950 -0.701 -2.727 634 HE3 MET 77 3HE MET 77 -5.473 -0.984 -1.882 635 H GLN 78 H GLN 78 -3.467 -4.716 -7.500 636 HA GLN 78 HA GLN 78 -5.131 -2.732 -8.802 637 HB2 GLN 78 1HB GLN 78 -3.829 -4.915 -9.745 638 HB3 GLN 78 2HB GLN 78 -5.441 -5.580 -9.523 639 HG2 GLN 78 1HG GLN 78 -6.368 -3.810 -10.926 640 HG3 GLN 78 2HG GLN 78 -4.751 -3.145 -11.151 641 HE21 GLN 78 1HE2 GLN 78 -3.215 -5.280 -11.619 642 HE22 GLN 78 2HE2 GLN 78 -3.725 -6.111 -13.046 643 H ILE 79 H ILE 79 -7.212 -2.379 -8.389 644 HA ILE 79 HA ILE 79 -8.664 -4.365 -6.765 645 HB ILE 79 HB ILE 79 -8.998 -1.363 -6.737 646 HG12 ILE 79 1HG1 ILE 79 -7.536 -3.300 -5.016 647 HG13 ILE 79 2HG1 ILE 79 -7.140 -1.633 -5.420 648 HG21 ILE 79 1HG2 ILE 79 -10.324 -3.280 -4.856 649 HG22 ILE 79 2HG2 ILE 79 -10.747 -1.609 -5.225 650 HG23 ILE 79 3HG2 ILE 79 -11.056 -2.879 -6.409 651 HD11 ILE 79 1HD1 ILE 79 -9.003 -2.666 -3.323 652 HD12 ILE 79 2HD1 ILE 79 -7.637 -1.562 -3.158 653 HD13 ILE 79 3HD1 ILE 79 -9.127 -1.014 -3.926 654 H ILE 80 H ILE 80 -9.955 -5.417 -8.148 655 HA ILE 80 HA ILE 80 -11.267 -3.982 -10.317 656 HB ILE 80 HB ILE 80 -11.707 -6.887 -9.735 657 HG12 ILE 80 1HG1 ILE 80 -9.682 -7.045 -11.479 658 HG13 ILE 80 2HG1 ILE 80 -9.198 -5.572 -10.646 659 HG21 ILE 80 1HG2 ILE 80 -12.804 -6.764 -11.658 660 HG22 ILE 80 2HG2 ILE 80 -12.374 -5.062 -11.815 661 HG23 ILE 80 3HG2 ILE 80 -11.309 -6.304 -12.472 662 HD11 ILE 80 1HD1 ILE 80 -9.827 -7.271 -8.583 663 HD12 ILE 80 2HD1 ILE 80 -9.076 -8.335 -9.773 664 HD13 ILE 80 3HD1 ILE 80 -8.207 -6.917 -9.185 665 H LYS 81 H LYS 81 -13.432 -3.622 -10.479 666 HA LYS 81 HA LYS 81 -15.544 -3.181 -9.749 667 HB2 LYS 81 1HB LYS 81 -15.256 -5.878 -8.412 668 HB3 LYS 81 2HB LYS 81 -16.768 -5.060 -8.786 669 HG2 LYS 81 1HG LYS 81 -15.798 -5.123 -11.236 670 HG3 LYS 81 2HG LYS 81 -14.879 -6.482 -10.584 671 HD2 LYS 81 1HD LYS 81 -17.278 -7.156 -9.657 672 HD3 LYS 81 2HD LYS 81 -17.800 -6.202 -11.048 673 HE2 LYS 81 1HE LYS 81 -17.607 -8.234 -12.056 674 HE3 LYS 81 2HE LYS 81 -15.953 -7.662 -12.265 675 HZ1 LYS 81 1HZ LYS 81 -15.625 -9.747 -11.408 676 HZ2 LYS 81 2HZ LYS 81 -16.994 -9.693 -10.415 677 HZ3 LYS 81 3HZ LYS 81 -15.605 -8.827 -9.988 678 H ALA 82 H ALA 82 -13.680 -1.899 -8.235 679 HA ALA 82 HA ALA 82 -13.612 -2.290 -5.511 680 HB1 ALA 82 1HB ALA 82 -12.841 -0.117 -5.311 681 HB2 ALA 82 2HB ALA 82 -12.459 -0.504 -6.990 682 HB3 ALA 82 3HB ALA 82 -13.873 0.479 -6.612 683 H LYS 83 H LYS 83 -15.188 -2.504 -4.078 684 HA LYS 83 HA LYS 83 -17.823 -1.390 -4.626 685 HB2 LYS 83 1HB LYS 83 -17.098 -2.999 -2.194 686 HB3 LYS 83 2HB LYS 83 -18.659 -2.855 -2.992 687 HG2 LYS 83 1HG LYS 83 -17.996 -4.256 -4.765 688 HG3 LYS 83 2HG LYS 83 -16.295 -4.161 -4.304 689 HD2 LYS 83 1HD LYS 83 -16.871 -5.326 -2.181 690 HD3 LYS 83 2HD LYS 83 -18.517 -5.526 -2.786 691 HE2 LYS 83 1HE LYS 83 -16.081 -6.522 -4.249 692 HE3 LYS 83 2HE LYS 83 -16.984 -7.504 -3.096 693 HZ1 LYS 83 1HZ LYS 83 -17.535 -7.084 -5.799 694 HZ2 LYS 83 2HZ LYS 83 -18.787 -6.366 -4.919 695 HZ3 LYS 83 3HZ LYS 83 -18.420 -8.001 -4.686 696 H ASP 84 H ASP 84 -19.015 -0.290 -2.884 697 HA ASP 84 HA ASP 84 -17.669 1.974 -1.955 698 HB2 ASP 84 1HB ASP 84 -20.251 0.786 -0.916 699 HB3 ASP 84 2HB ASP 84 -19.698 2.437 -0.651 700 H ASN 85 H ASN 85 -17.586 -1.170 -0.771 701 HA ASN 85 HA ASN 85 -17.127 -0.445 2.000 702 HB2 ASN 85 1HB ASN 85 -18.304 -2.568 1.274 703 HB3 ASN 85 2HB ASN 85 -16.737 -3.154 0.724 704 HD21 ASN 85 1HD2 ASN 85 -16.876 -4.868 2.205 705 HD22 ASN 85 2HD2 ASN 85 -16.574 -4.627 3.889 706 H PHE 86 H PHE 86 -15.311 -0.797 -0.860 707 HA PHE 86 HA PHE 86 -12.826 -1.556 0.332 708 HB2 PHE 86 1HB PHE 86 -13.613 -0.470 -2.361 709 HB3 PHE 86 2HB PHE 86 -11.920 -0.669 -1.920 710 HD1 PHE 86 2HD PHE 86 -14.810 -2.849 -1.097 711 HD2 PHE 86 1HD PHE 86 -11.184 -2.400 -3.282 712 HE1 PHE 86 2HE PHE 86 -14.920 -5.216 -1.760 713 HE2 PHE 86 1HE PHE 86 -11.289 -4.765 -3.949 714 HZ PHE 86 HZ PHE 86 -13.158 -6.177 -3.188 715 H ALA 87 H ALA 87 -14.572 1.361 0.107 716 HA ALA 87 HA ALA 87 -12.285 3.113 0.291 717 HB1 ALA 87 1HB ALA 87 -15.181 3.415 -0.010 718 HB2 ALA 87 2HB ALA 87 -14.422 4.654 0.990 719 HB3 ALA 87 3HB ALA 87 -13.862 4.389 -0.661 720 H GLY 88 H GLY 88 -11.131 3.099 2.117 721 HA2 GLY 88 1HA GLY 88 -12.310 3.914 4.581 722 HA3 GLY 88 2HA GLY 88 -11.905 2.205 4.614 723 H ASN 89 H ASN 89 -10.230 2.201 6.022 724 HA ASN 89 HA ASN 89 -7.984 4.019 5.496 725 HB2 ASN 89 1HB ASN 89 -8.802 4.151 7.766 726 HB3 ASN 89 2HB ASN 89 -8.703 2.403 7.949 727 HD21 ASN 89 1HD2 ASN 89 -6.546 4.999 6.843 728 HD22 ASN 89 2HD2 ASN 89 -5.197 4.517 7.808 729 H TYR 90 H TYR 90 -6.414 3.198 4.292 730 HA TYR 90 HA TYR 90 -5.920 0.305 4.365 731 HB2 TYR 90 1HB TYR 90 -5.339 2.440 2.329 732 HB3 TYR 90 2HB TYR 90 -4.498 0.894 2.284 733 HD1 TYR 90 2HD TYR 90 -8.052 1.587 3.147 734 HD2 TYR 90 1HD TYR 90 -5.335 -0.147 0.369 735 HE1 TYR 90 2HE TYR 90 -9.943 0.600 1.922 736 HE2 TYR 90 1HE TYR 90 -7.219 -1.139 -0.863 737 HH TYR 90 HH TYR 90 -10.550 -0.807 0.295 738 H ARG 91 H ARG 91 -4.007 -0.535 5.007 739 HA ARG 91 HA ARG 91 -1.853 1.342 5.714 740 HB2 ARG 91 1HB ARG 91 -3.224 0.484 7.690 741 HB3 ARG 91 2HB ARG 91 -2.528 -1.096 7.352 742 HG2 ARG 91 1HG ARG 91 -0.454 -0.497 8.080 743 HG3 ARG 91 2HG ARG 91 -0.677 1.203 7.660 744 HD2 ARG 91 1HD ARG 91 -2.097 -0.183 9.929 745 HD3 ARG 91 2HD ARG 91 -0.607 0.741 10.114 746 HE ARG 91 HE ARG 91 -2.600 2.292 8.827 747 HH11 ARG 91 2HH1 ARG 91 -1.665 1.040 11.938 748 HH12 ARG 91 1HH1 ARG 91 -2.436 2.312 12.827 749 HH21 ARG 91 2HH2 ARG 91 -3.619 3.972 9.986 750 HH22 ARG 91 1HH2 ARG 91 -3.547 3.979 11.716 751 H CYS 92 H CYS 92 0.044 0.843 4.837 752 HA CYS 92 HA CYS 92 0.397 -1.857 3.727 753 HB2 CYS 92 1HB CYS 92 1.983 -0.885 2.174 754 HB3 CYS 92 2HB CYS 92 0.483 0.033 2.118 755 HG CYS 92 HG CYS 92 3.176 1.054 3.958 756 H GLU 93 H GLU 93 2.371 -2.955 3.998 757 HA GLU 93 HA GLU 93 4.291 -1.849 5.896 758 HB2 GLU 93 1HB GLU 93 2.769 -4.420 6.327 759 HB3 GLU 93 2HB GLU 93 4.251 -4.021 7.184 760 HG2 GLU 93 1HG GLU 93 2.700 -3.324 8.697 761 HG3 GLU 93 2HG GLU 93 2.946 -1.833 7.790 762 H VAL 94 H VAL 94 6.278 -2.200 5.174 763 HA VAL 94 HA VAL 94 6.761 -4.555 3.466 764 HB VAL 94 HB VAL 94 8.094 -1.857 3.195 765 HG11 VAL 94 1HG1 VAL 94 8.938 -4.398 2.382 766 HG12 VAL 94 2HG1 VAL 94 8.321 -3.611 0.927 767 HG13 VAL 94 3HG1 VAL 94 9.590 -2.839 1.878 768 HG21 VAL 94 1HG2 VAL 94 6.240 -3.075 1.182 769 HG22 VAL 94 2HG2 VAL 94 5.615 -2.103 2.515 770 HG23 VAL 94 3HG2 VAL 94 6.742 -1.393 1.360 771 H THR 95 H THR 95 7.809 -5.927 4.783 772 HA THR 95 HA THR 95 9.857 -4.924 6.605 773 HB THR 95 HB THR 95 9.214 -7.834 6.357 774 HG1 THR 95 1HG THR 95 7.477 -5.808 7.206 775 HG21 THR 95 1HG2 THR 95 9.318 -6.635 8.999 776 HG22 THR 95 2HG2 THR 95 10.771 -6.295 8.060 777 HG23 THR 95 3HG2 THR 95 10.264 -7.962 8.326 778 H TYR 96 H TYR 96 11.964 -5.021 6.181 779 HA TYR 96 HA TYR 96 12.861 -6.748 3.967 780 HB2 TYR 96 1HB TYR 96 12.950 -4.190 3.668 781 HB3 TYR 96 2HB TYR 96 14.280 -4.233 4.820 782 HD1 TYR 96 2HD TYR 96 13.488 -6.677 2.131 783 HD2 TYR 96 1HD TYR 96 16.134 -3.647 3.517 784 HE1 TYR 96 2HE TYR 96 15.046 -7.211 0.305 785 HE2 TYR 96 1HE TYR 96 17.699 -4.172 1.694 786 HH TYR 96 HH TYR 96 18.102 -5.437 -0.080 787 H LYS 97 H LYS 97 15.462 -6.841 4.177 788 HA LYS 97 HA LYS 97 15.929 -8.444 6.487 789 HB2 LYS 97 1HB LYS 97 18.199 -7.468 4.822 790 HB3 LYS 97 2HB LYS 97 17.898 -9.072 5.476 791 HG2 LYS 97 1HG LYS 97 16.648 -7.799 3.059 792 HG3 LYS 97 2HG LYS 97 17.676 -9.232 3.130 793 HD2 LYS 97 1HD LYS 97 15.121 -9.222 4.664 794 HD3 LYS 97 2HD LYS 97 15.058 -9.439 2.913 795 HE2 LYS 97 1HE LYS 97 16.103 -11.469 2.990 796 HE3 LYS 97 2HE LYS 97 17.013 -11.067 4.446 797 HZ1 LYS 97 1HZ LYS 97 14.114 -11.297 4.701 798 HZ2 LYS 97 2HZ LYS 97 15.333 -11.727 5.792 799 HZ3 LYS 97 3HZ LYS 97 14.982 -12.732 4.477 800 H ASP 98 H ASP 98 17.493 -5.443 5.350 801 HA ASP 98 HA ASP 98 18.938 -4.974 7.716 802 HB2 ASP 98 1HB ASP 98 18.761 -2.493 6.755 803 HB3 ASP 98 2HB ASP 98 19.794 -3.711 6.011 804 H LYS 99 H LYS 99 16.267 -2.925 6.560 805 HA LYS 99 HA LYS 99 15.213 -2.860 9.304 806 HB2 LYS 99 1HB LYS 99 15.344 -0.417 7.541 807 HB3 LYS 99 2HB LYS 99 14.931 -0.495 9.248 808 HG2 LYS 99 1HG LYS 99 17.058 0.235 9.453 809 HG3 LYS 99 2HG LYS 99 17.391 -1.498 9.389 810 HD2 LYS 99 1HD LYS 99 18.864 -0.788 7.800 811 HD3 LYS 99 2HD LYS 99 17.440 -1.003 6.780 812 HE2 LYS 99 1HE LYS 99 16.917 1.414 7.146 813 HE3 LYS 99 2HE LYS 99 18.467 1.569 7.971 814 HZ1 LYS 99 1HZ LYS 99 19.410 1.872 6.008 815 HZ2 LYS 99 2HZ LYS 99 17.937 1.637 5.211 816 HZ3 LYS 99 3HZ LYS 99 18.945 0.317 5.532 817 H PHE 100 H PHE 100 12.970 -1.841 9.337 818 HA PHE 100 HA PHE 100 11.477 -2.693 6.944 819 HB2 PHE 100 1HB PHE 100 10.603 -4.224 8.364 820 HB3 PHE 100 2HB PHE 100 11.110 -3.330 9.794 821 HD1 PHE 100 1HD PHE 100 8.489 -3.645 7.227 822 HD2 PHE 100 2HD PHE 100 9.625 -1.866 10.923 823 HE1 PHE 100 1HE PHE 100 6.167 -2.916 7.586 824 HE2 PHE 100 2HE PHE 100 7.305 -1.135 11.288 825 HZ PHE 100 HZ PHE 100 5.572 -1.660 9.619 826 H ASP 101 H ASP 101 9.615 -1.501 6.383 827 HA ASP 101 HA ASP 101 9.162 1.020 7.792 828 HB2 ASP 101 1HB ASP 101 10.832 1.173 5.756 829 HB3 ASP 101 2HB ASP 101 9.348 1.121 4.808 830 H SER 102 H SER 102 7.118 1.961 7.400 831 HA SER 102 HA SER 102 5.234 0.498 5.728 832 HB2 SER 102 1HB SER 102 3.641 0.117 7.505 833 HB3 SER 102 2HB SER 102 5.182 -0.598 7.979 834 HG SER 102 HG SER 102 5.563 1.316 9.215 835 H CYS 103 H CYS 103 3.006 1.604 5.867 836 HA CYS 103 HA CYS 103 3.066 4.409 6.558 837 HB2 CYS 103 1HB CYS 103 4.085 3.995 4.164 838 HB3 CYS 103 2HB CYS 103 2.396 3.837 3.699 839 HG CYS 103 HG CYS 103 2.841 6.548 5.536 840 H SER 104 H SER 104 0.929 5.469 5.856 841 HA SER 104 HA SER 104 -1.272 3.535 5.803 842 HB2 SER 104 1HB SER 104 -2.444 4.685 7.608 843 HB3 SER 104 2HB SER 104 -0.867 4.137 8.174 844 HG SER 104 HG SER 104 -0.200 6.386 7.506 845 H PHE 105 H PHE 105 -3.193 4.302 4.901 846 HA PHE 105 HA PHE 105 -3.376 7.050 4.013 847 HB2 PHE 105 1HB PHE 105 -3.813 6.219 1.609 848 HB3 PHE 105 2HB PHE 105 -2.142 6.338 2.151 849 HD1 PHE 105 1HD PHE 105 -1.150 4.149 3.190 850 HD2 PHE 105 2HD PHE 105 -4.523 4.281 0.598 851 HE1 PHE 105 1HE PHE 105 -0.791 1.785 2.608 852 HE2 PHE 105 2HE PHE 105 -4.171 1.917 0.013 853 HZ PHE 105 HZ PHE 105 -2.303 0.666 1.019 854 H ASP 106 H ASP 106 -5.419 7.066 2.362 855 HA ASP 106 HA ASP 106 -7.508 5.341 3.493 856 HB2 ASP 106 1HB ASP 106 -8.907 7.087 4.089 857 HB3 ASP 106 2HB ASP 106 -7.329 7.752 4.505 858 H LEU 107 H LEU 107 -9.096 4.732 2.085 859 HA LEU 107 HA LEU 107 -8.781 5.654 -0.694 860 HB2 LEU 107 1HB LEU 107 -8.431 3.157 0.128 861 HB3 LEU 107 2HB LEU 107 -10.183 3.114 -0.055 862 HG LEU 107 HG LEU 107 -8.170 3.726 -2.218 863 HD11 LEU 107 1HD1 LEU 107 -9.879 1.335 -1.594 864 HD12 LEU 107 2HD1 LEU 107 -8.130 1.409 -1.808 865 HD13 LEU 107 3HD1 LEU 107 -9.198 1.625 -3.195 866 HD21 LEU 107 1HD2 LEU 107 -9.899 4.928 -3.034 867 HD22 LEU 107 2HD2 LEU 107 -11.093 4.095 -2.038 868 HD23 LEU 107 3HD2 LEU 107 -10.491 3.338 -3.513 869 H GLU 108 H GLU 108 -10.563 6.258 -1.869 870 HA GLU 108 HA GLU 108 -13.105 6.406 -0.385 871 HB2 GLU 108 1HB GLU 108 -11.653 8.433 -2.010 872 HB3 GLU 108 2HB GLU 108 -13.409 8.426 -2.100 873 HG2 GLU 108 1HG GLU 108 -13.513 8.639 0.348 874 HG3 GLU 108 2HG GLU 108 -11.753 8.718 0.396 875 H VAL 109 H VAL 109 -15.010 6.021 -1.505 876 HA VAL 109 HA VAL 109 -14.741 5.075 -4.278 877 HB VAL 109 HB VAL 109 -16.345 3.684 -2.127 878 HG11 VAL 109 1HG1 VAL 109 -17.480 2.726 -3.776 879 HG12 VAL 109 2HG1 VAL 109 -16.582 3.677 -4.960 880 HG13 VAL 109 3HG1 VAL 109 -15.975 2.101 -4.450 881 HG21 VAL 109 1HG2 VAL 109 -14.223 2.203 -3.492 882 HG22 VAL 109 2HG2 VAL 109 -13.641 3.533 -2.493 883 HG23 VAL 109 3HG2 VAL 109 -14.641 2.268 -1.780 884 H HIS 110 H HIS 110 -16.084 6.114 -5.582 885 HA HIS 110 HA HIS 110 -18.446 7.424 -4.432 886 HB2 HIS 110 1HB HIS 110 -16.937 7.930 -7.001 887 HB3 HIS 110 2HB HIS 110 -18.434 8.749 -6.566 888 HD1 HIS 110 1HD HIS 110 -16.937 10.959 -6.712 889 HD2 HIS 110 2HD HIS 110 -16.039 8.357 -3.600 890 HE1 HIS 110 1HE HIS 110 -15.554 12.298 -5.095 891 HE2 HIS 110 2HE HIS 110 -14.951 10.679 -3.262 892 H GLU 111 H GLU 111 -20.488 7.148 -5.302 893 HA GLU 111 HA GLU 111 -21.067 4.612 -6.398 894 HB2 GLU 111 1HB GLU 111 -22.787 7.090 -6.200 895 HB3 GLU 111 2HB GLU 111 -23.382 5.493 -6.635 896 HG2 GLU 111 1HG GLU 111 -22.430 4.717 -4.403 897 HG3 GLU 111 2HG GLU 111 -22.299 6.429 -4.003 898 H SER 112 H SER 112 -21.178 3.914 -8.433 899 HA SER 112 HA SER 112 -20.381 5.636 -10.578 900 HB2 SER 112 1HB SER 112 -19.689 3.274 -10.498 901 HB3 SER 112 2HB SER 112 -21.374 2.775 -10.651 902 HG SER 112 HG SER 112 -20.275 2.758 -12.663 903 H THR 113 H THR 113 -22.478 6.935 -9.792 904 HA THR 113 HA THR 113 -24.739 6.105 -11.485 905 HB THR 113 HB THR 113 -26.049 7.798 -10.139 906 HG1 THR 113 1HG THR 113 -25.117 8.495 -8.201 907 HG21 THR 113 1HG2 THR 113 -24.836 5.359 -8.862 908 HG22 THR 113 2HG2 THR 113 -26.423 5.532 -9.610 909 HG23 THR 113 3HG2 THR 113 -26.087 6.311 -8.064 910 H GLY 114 H GLY 114 -25.775 7.650 -12.820 911 HA2 GLY 114 1HA GLY 114 -24.532 10.257 -13.158 912 HA3 GLY 114 2HA GLY 114 -24.341 9.147 -14.508 913 H THR 115 H THR 115 -27.190 9.296 -12.464 914 HA THR 115 HA THR 115 -28.795 9.912 -14.821 915 HB THR 115 HB THR 115 -29.508 8.031 -13.418 916 HG1 THR 115 1HG THR 115 -31.710 8.951 -12.979 917 HG21 THR 115 1HG2 THR 115 -29.832 8.126 -11.178 918 HG22 THR 115 2HG2 THR 115 -30.456 9.775 -11.232 919 HG23 THR 115 3HG2 THR 115 -28.717 9.487 -11.289 920 H THR 116 H THR 116 -29.266 11.955 -15.259 921 HA THR 116 HA THR 116 -30.178 13.722 -13.142 922 HB THR 116 HB THR 116 -28.679 15.584 -14.004 923 HG1 THR 116 1HG THR 116 -27.063 13.436 -14.928 924 HG21 THR 116 1HG2 THR 116 -28.382 14.117 -11.877 925 HG22 THR 116 2HG2 THR 116 -27.049 15.140 -12.412 926 HG23 THR 116 3HG2 THR 116 -27.032 13.413 -12.765 927 HA PRO 117 HA PRO 117 -32.940 14.982 -16.332 928 HB2 PRO 117 1HB PRO 117 -33.751 17.352 -15.286 929 HB3 PRO 117 2HB PRO 117 -34.277 15.790 -14.647 930 HG2 PRO 117 1HG PRO 117 -32.132 17.621 -13.644 931 HG3 PRO 117 2HG PRO 117 -33.355 16.723 -12.727 932 HD2 PRO 117 1HD PRO 117 -30.794 15.876 -12.956 933 HD3 PRO 117 2HD PRO 117 -32.163 14.753 -12.823 934 H ASN 118 H ASN 118 -33.381 16.853 -17.792 935 HA ASN 118 HA ASN 118 -30.852 18.167 -18.503 936 HB2 ASN 118 1HB ASN 118 -33.302 17.830 -20.241 937 HB3 ASN 118 2HB ASN 118 -31.691 18.325 -20.752 938 HD21 ASN 118 1HD2 ASN 118 -30.478 16.811 -21.615 939 HD22 ASN 118 2HD2 ASN 118 -30.652 15.108 -21.380 940 H ILE 119 H ILE 119 -30.808 20.372 -19.061 941 HA ILE 119 HA ILE 119 -33.195 21.961 -18.510 942 HB ILE 119 HB ILE 119 -30.564 22.444 -17.108 943 HG12 ILE 119 1HG1 ILE 119 -33.238 21.844 -15.850 944 HG13 ILE 119 2HG1 ILE 119 -32.088 20.575 -16.256 945 HG21 ILE 119 1HG2 ILE 119 -33.013 23.965 -16.429 946 HG22 ILE 119 2HG2 ILE 119 -31.322 24.463 -16.397 947 HG23 ILE 119 3HG2 ILE 119 -32.188 24.386 -17.931 948 HD11 ILE 119 1HD1 ILE 119 -30.457 21.529 -14.758 949 HD12 ILE 119 2HD1 ILE 119 -31.532 22.883 -14.408 950 HD13 ILE 119 3HD1 ILE 119 -31.973 21.252 -13.903 951 H ASP 120 H ASP 120 -33.359 23.731 -19.769 952 HA ASP 120 HA ASP 120 -31.023 24.430 -21.426 953 HB2 ASP 120 1HB ASP 120 -32.468 24.901 -23.261 954 HB3 ASP 120 2HB ASP 120 -32.965 23.335 -22.624 955 H SER 121 H SER 121 -31.258 26.713 -22.369 956 HA SER 121 HA SER 121 -31.491 28.525 -20.156 957 HB2 SER 121 1HB SER 121 -30.781 28.889 -23.066 958 HB3 SER 121 2HB SER 121 -30.908 30.249 -21.951 959 HG SER 121 HG SER 121 -28.767 29.463 -22.091 960 H GLY 122 H GLY 122 -33.564 27.450 -22.666 961 HA2 GLY 122 1HA GLY 122 -35.766 27.938 -23.113 962 HA3 GLY 122 2HA GLY 122 -35.781 28.896 -21.640 963 HA PRO 123 HA PRO 123 -34.264 31.854 -25.160 964 HB2 PRO 123 1HB PRO 123 -34.458 30.911 -27.698 965 HB3 PRO 123 2HB PRO 123 -33.008 30.712 -26.708 966 HG2 PRO 123 1HG PRO 123 -35.212 28.761 -27.251 967 HG3 PRO 123 2HG PRO 123 -33.460 28.488 -27.215 968 HD2 PRO 123 1HD PRO 123 -35.079 27.837 -25.144 969 HD3 PRO 123 2HD PRO 123 -33.400 28.366 -24.914 970 H SER 124 H SER 124 -36.088 33.039 -24.728 971 HA SER 124 HA SER 124 -38.682 32.319 -25.671 972 HB2 SER 124 1HB SER 124 -37.565 34.858 -24.475 973 HB3 SER 124 2HB SER 124 -39.254 34.693 -24.954 974 HG SER 124 HG SER 124 -37.870 33.499 -22.848 975 H SER 125 H SER 125 -36.500 35.003 -26.547 976 HA SER 125 HA SER 125 -37.985 35.922 -28.729 977 HB2 SER 125 1HB SER 125 -35.899 37.043 -29.440 978 HB3 SER 125 2HB SER 125 -36.198 37.249 -27.714 979 HG SER 125 HG SER 125 -34.600 35.124 -28.637 980 H GLY 126 H GLY 126 -38.426 35.004 -30.614 981 HA2 GLY 126 1HA GLY 126 -36.860 32.693 -31.477 982 HA3 GLY 126 2HA GLY 126 -38.415 33.195 -32.124 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 13.195 23.612 6.540 2 HA2 GLY 1 1HA GLY 1 13.787 23.727 8.939 3 HA3 GLY 1 2HA GLY 1 12.106 24.143 9.237 4 H SER 2 H SER 2 14.367 21.600 8.652 5 HA SER 2 HA SER 2 12.614 19.645 9.753 6 HB2 SER 2 1HB SER 2 12.322 18.210 7.836 7 HB3 SER 2 2HB SER 2 11.731 19.816 7.410 8 HG SER 2 HG SER 2 14.337 18.878 6.802 9 H SER 3 H SER 3 13.988 18.575 10.997 10 HA SER 3 HA SER 3 16.697 18.034 9.981 11 HB2 SER 3 1HB SER 3 16.785 19.347 11.991 12 HB3 SER 3 2HB SER 3 15.651 18.272 12.808 13 HG SER 3 HG SER 3 18.243 18.109 12.857 14 H GLY 4 H GLY 4 17.129 16.017 9.402 15 HA2 GLY 4 1HA GLY 4 15.448 13.858 10.508 16 HA3 GLY 4 2HA GLY 4 16.216 13.815 8.927 17 H SER 5 H SER 5 16.337 12.087 11.440 18 HA SER 5 HA SER 5 19.246 12.170 11.867 19 HB2 SER 5 1HB SER 5 16.965 11.132 13.528 20 HB3 SER 5 2HB SER 5 18.607 10.544 13.793 21 HG SER 5 HG SER 5 18.757 12.265 14.997 22 H SER 6 H SER 6 16.575 9.876 11.347 23 HA SER 6 HA SER 6 18.512 7.870 10.447 24 HB2 SER 6 1HB SER 6 16.911 7.102 12.117 25 HB3 SER 6 2HB SER 6 15.565 7.622 11.102 26 HG SER 6 HG SER 6 16.117 6.049 9.610 27 H GLY 7 H GLY 7 18.280 6.797 8.447 28 HA2 GLY 7 1HA GLY 7 17.544 8.472 6.286 29 HA3 GLY 7 2HA GLY 7 17.992 6.776 6.168 30 H ILE 8 H ILE 8 16.345 6.721 4.478 31 HA ILE 8 HA ILE 8 13.679 6.270 5.638 32 HB ILE 8 HB ILE 8 12.801 7.015 3.329 33 HG12 ILE 8 1HG1 ILE 8 15.374 8.597 3.353 34 HG13 ILE 8 2HG1 ILE 8 15.146 7.151 2.376 35 HG21 ILE 8 1HG2 ILE 8 12.762 9.401 4.080 36 HG22 ILE 8 2HG2 ILE 8 12.260 8.236 5.304 37 HG23 ILE 8 3HG2 ILE 8 13.871 8.949 5.373 38 HD11 ILE 8 1HD1 ILE 8 13.942 9.851 2.081 39 HD12 ILE 8 2HD1 ILE 8 14.643 8.784 0.864 40 HD13 ILE 8 3HD1 ILE 8 13.040 8.445 1.516 41 H LEU 9 H LEU 9 12.632 4.462 4.972 42 HA LEU 9 HA LEU 9 14.143 2.638 3.256 43 HB2 LEU 9 1HB LEU 9 13.203 2.070 5.597 44 HB3 LEU 9 2HB LEU 9 11.656 1.924 4.765 45 HG LEU 9 HG LEU 9 13.011 -0.208 5.191 46 HD11 LEU 9 1HD1 LEU 9 11.381 0.639 2.993 47 HD12 LEU 9 2HD1 LEU 9 11.475 -0.941 3.771 48 HD13 LEU 9 3HD1 LEU 9 12.565 -0.547 2.442 49 HD21 LEU 9 1HD2 LEU 9 15.122 0.965 4.275 50 HD22 LEU 9 2HD2 LEU 9 14.460 0.569 2.688 51 HD23 LEU 9 3HD2 LEU 9 14.827 -0.718 3.838 52 H PHE 10 H PHE 10 10.781 3.741 3.683 53 HA PHE 10 HA PHE 10 10.062 2.741 1.060 54 HB2 PHE 10 1HB PHE 10 8.637 2.969 3.343 55 HB3 PHE 10 2HB PHE 10 8.168 4.467 2.545 56 HD1 PHE 10 2HD PHE 10 8.753 0.950 1.429 57 HD2 PHE 10 1HD PHE 10 6.139 4.309 1.507 58 HE1 PHE 10 2HE PHE 10 7.123 -0.291 0.068 59 HE2 PHE 10 1HE PHE 10 4.504 3.072 0.146 60 HZ PHE 10 HZ PHE 10 4.996 0.769 -0.577 61 H ILE 11 H ILE 11 11.321 4.019 -0.322 62 HA ILE 11 HA ILE 11 11.555 6.787 -0.290 63 HB ILE 11 HB ILE 11 11.899 4.689 -2.345 64 HG12 ILE 11 1HG1 ILE 11 13.990 6.267 -2.659 65 HG13 ILE 11 2HG1 ILE 11 13.478 6.905 -1.100 66 HG21 ILE 11 1HG2 ILE 11 11.454 7.582 -3.047 67 HG22 ILE 11 2HG2 ILE 11 12.290 6.443 -4.102 68 HG23 ILE 11 3HG2 ILE 11 10.601 6.171 -3.673 69 HD11 ILE 11 1HD1 ILE 11 13.444 4.347 -0.465 70 HD12 ILE 11 2HD1 ILE 11 14.601 4.253 -1.793 71 HD13 ILE 11 3HD1 ILE 11 14.927 5.300 -0.412 72 H GLU 12 H GLU 12 9.241 4.801 -2.137 73 HA GLU 12 HA GLU 12 7.701 7.198 -2.773 74 HB2 GLU 12 1HB GLU 12 8.296 5.202 -4.383 75 HB3 GLU 12 2HB GLU 12 6.893 4.451 -3.637 76 HG2 GLU 12 1HG GLU 12 6.665 7.213 -4.731 77 HG3 GLU 12 2HG GLU 12 6.647 5.835 -5.829 78 H LYS 13 H LYS 13 5.536 7.472 -2.214 79 HA LYS 13 HA LYS 13 4.441 5.604 -0.228 80 HB2 LYS 13 1HB LYS 13 4.454 8.617 0.030 81 HB3 LYS 13 2HB LYS 13 3.656 7.501 1.130 82 HG2 LYS 13 1HG LYS 13 6.550 7.096 0.665 83 HG3 LYS 13 2HG LYS 13 6.068 8.511 1.603 84 HD2 LYS 13 1HD LYS 13 4.995 5.778 2.228 85 HD3 LYS 13 2HD LYS 13 6.546 6.326 2.868 86 HE2 LYS 13 1HE LYS 13 4.157 8.082 3.173 87 HE3 LYS 13 2HE LYS 13 4.315 6.672 4.219 88 HZ1 LYS 13 1HZ LYS 13 6.605 8.484 3.927 89 HZ2 LYS 13 2HZ LYS 13 6.157 7.523 5.244 90 HZ3 LYS 13 3HZ LYS 13 5.317 8.955 4.919 91 HA PRO 14 HA PRO 14 1.009 5.959 -3.049 92 HB2 PRO 14 1HB PRO 14 -0.622 4.248 -1.714 93 HB3 PRO 14 2HB PRO 14 0.715 3.703 -2.733 94 HG2 PRO 14 1HG PRO 14 0.602 4.002 0.243 95 HG3 PRO 14 2HG PRO 14 1.297 2.687 -0.723 96 HD2 PRO 14 1HD PRO 14 2.812 4.638 0.386 97 HD3 PRO 14 2HD PRO 14 3.235 3.858 -1.152 98 H GLN 15 H GLN 15 -0.047 7.854 -2.942 99 HA GLN 15 HA GLN 15 -1.204 8.782 -0.451 100 HB2 GLN 15 1HB GLN 15 -1.203 10.023 -3.208 101 HB3 GLN 15 2HB GLN 15 -1.790 10.801 -1.744 102 HG2 GLN 15 1HG GLN 15 1.030 10.058 -2.449 103 HG3 GLN 15 2HG GLN 15 0.364 11.660 -2.135 104 HE21 GLN 15 1HE2 GLN 15 1.827 8.898 -0.804 105 HE22 GLN 15 2HE2 GLN 15 1.791 9.385 0.853 106 H GLY 16 H GLY 16 -2.323 6.377 -1.539 107 HA2 GLY 16 1HA GLY 16 -4.321 5.476 -2.323 108 HA3 GLY 16 2HA GLY 16 -4.946 6.529 -1.062 109 H GLY 17 H GLY 17 -6.893 6.811 -2.222 110 HA2 GLY 17 1HA GLY 17 -7.097 9.116 -3.739 111 HA3 GLY 17 2HA GLY 17 -6.951 7.797 -4.892 112 H THR 18 H THR 18 -9.065 8.292 -5.652 113 HA THR 18 HA THR 18 -11.156 7.097 -3.977 114 HB THR 18 HB THR 18 -11.686 9.586 -5.595 115 HG1 THR 18 1HG THR 18 -10.586 9.300 -3.062 116 HG21 THR 18 1HG2 THR 18 -13.755 8.707 -5.211 117 HG22 THR 18 2HG2 THR 18 -13.549 9.567 -3.685 118 HG23 THR 18 3HG2 THR 18 -13.236 7.834 -3.770 119 H VAL 19 H VAL 19 -11.895 5.406 -5.068 120 HA VAL 19 HA VAL 19 -12.068 5.581 -8.004 121 HB VAL 19 HB VAL 19 -10.567 3.805 -7.113 122 HG11 VAL 19 1HG1 VAL 19 -11.528 1.853 -6.026 123 HG12 VAL 19 2HG1 VAL 19 -11.834 3.305 -5.071 124 HG13 VAL 19 3HG1 VAL 19 -13.123 2.605 -6.051 125 HG21 VAL 19 1HG2 VAL 19 -12.323 1.971 -8.296 126 HG22 VAL 19 2HG2 VAL 19 -12.699 3.533 -9.025 127 HG23 VAL 19 3HG2 VAL 19 -11.053 2.904 -9.088 128 H LYS 20 H LYS 20 -13.951 5.047 -9.044 129 HA LYS 20 HA LYS 20 -16.368 5.296 -7.534 130 HB2 LYS 20 1HB LYS 20 -15.930 6.146 -9.905 131 HB3 LYS 20 2HB LYS 20 -16.169 4.485 -10.430 132 HG2 LYS 20 1HG LYS 20 -18.221 5.634 -10.731 133 HG3 LYS 20 2HG LYS 20 -18.421 4.553 -9.350 134 HD2 LYS 20 1HD LYS 20 -19.402 6.612 -8.721 135 HD3 LYS 20 2HD LYS 20 -17.851 6.533 -7.882 136 HE2 LYS 20 1HE LYS 20 -17.730 8.660 -8.698 137 HE3 LYS 20 2HE LYS 20 -17.020 7.789 -10.056 138 HZ1 LYS 20 1HZ LYS 20 -19.531 9.212 -9.887 139 HZ2 LYS 20 2HZ LYS 20 -19.627 7.714 -10.666 140 HZ3 LYS 20 3HZ LYS 20 -18.554 8.893 -11.232 141 H VAL 21 H VAL 21 -18.113 3.775 -7.485 142 HA VAL 21 HA VAL 21 -17.346 1.174 -6.757 143 HB VAL 21 HB VAL 21 -20.052 2.316 -7.443 144 HG11 VAL 21 1HG1 VAL 21 -20.810 0.231 -7.617 145 HG12 VAL 21 2HG1 VAL 21 -19.260 -0.447 -7.116 146 HG13 VAL 21 3HG1 VAL 21 -20.444 0.039 -5.903 147 HG21 VAL 21 1HG2 VAL 21 -18.908 3.180 -5.424 148 HG22 VAL 21 2HG2 VAL 21 -20.403 2.320 -5.055 149 HG23 VAL 21 3HG2 VAL 21 -18.846 1.535 -4.790 150 H GLY 22 H GLY 22 -16.696 -0.430 -8.023 151 HA2 GLY 22 1HA GLY 22 -17.131 -2.068 -9.694 152 HA3 GLY 22 2HA GLY 22 -18.095 -0.883 -10.563 153 H GLU 23 H GLU 23 -15.623 0.948 -9.811 154 HA GLU 23 HA GLU 23 -14.374 0.636 -12.384 155 HB2 GLU 23 1HB GLU 23 -14.216 2.600 -10.149 156 HB3 GLU 23 2HB GLU 23 -12.859 2.515 -11.264 157 HG2 GLU 23 1HG GLU 23 -14.498 2.825 -13.133 158 HG3 GLU 23 2HG GLU 23 -15.725 3.146 -11.909 159 H ASP 24 H ASP 24 -11.794 1.119 -12.175 160 HA ASP 24 HA ASP 24 -10.683 -0.897 -10.344 161 HB2 ASP 24 1HB ASP 24 -9.302 -1.822 -12.077 162 HB3 ASP 24 2HB ASP 24 -10.963 -1.817 -12.662 163 H ILE 25 H ILE 25 -9.122 -0.077 -9.131 164 HA ILE 25 HA ILE 25 -7.523 2.153 -10.206 165 HB ILE 25 HB ILE 25 -9.005 3.062 -8.535 166 HG12 ILE 25 1HG1 ILE 25 -6.333 2.737 -7.176 167 HG13 ILE 25 2HG1 ILE 25 -6.530 3.713 -8.627 168 HG21 ILE 25 1HG2 ILE 25 -9.397 2.182 -6.442 169 HG22 ILE 25 2HG2 ILE 25 -9.198 0.720 -7.406 170 HG23 ILE 25 3HG2 ILE 25 -7.867 1.305 -6.407 171 HD11 ILE 25 1HD1 ILE 25 -8.524 4.641 -6.986 172 HD12 ILE 25 2HD1 ILE 25 -7.198 4.313 -5.869 173 HD13 ILE 25 3HD1 ILE 25 -6.950 5.394 -7.240 174 H THR 26 H THR 26 -5.352 2.294 -9.479 175 HA THR 26 HA THR 26 -4.298 -0.089 -8.124 176 HB THR 26 HB THR 26 -2.948 1.105 -10.545 177 HG1 THR 26 1HG THR 26 -5.016 -0.729 -10.356 178 HG21 THR 26 1HG2 THR 26 -2.563 -1.527 -9.112 179 HG22 THR 26 2HG2 THR 26 -1.513 -0.118 -8.962 180 HG23 THR 26 3HG2 THR 26 -1.650 -0.956 -10.507 181 H PHE 27 H PHE 27 -2.788 0.335 -6.625 182 HA PHE 27 HA PHE 27 -1.919 3.119 -6.333 183 HB2 PHE 27 1HB PHE 27 -1.678 0.883 -4.315 184 HB3 PHE 27 2HB PHE 27 -1.479 2.608 -4.024 185 HD1 PHE 27 1HD PHE 27 -3.932 -0.023 -4.844 186 HD2 PHE 27 2HD PHE 27 -3.333 3.997 -3.577 187 HE1 PHE 27 1HE PHE 27 -6.319 0.149 -4.271 188 HE2 PHE 27 2HE PHE 27 -5.719 4.174 -3.001 189 HZ PHE 27 HZ PHE 27 -7.215 2.249 -3.348 190 H ILE 28 H ILE 28 0.270 3.627 -5.858 191 HA ILE 28 HA ILE 28 2.168 1.646 -6.926 192 HB ILE 28 HB ILE 28 2.326 4.660 -6.893 193 HG12 ILE 28 1HG1 ILE 28 0.875 3.700 -8.635 194 HG13 ILE 28 2HG1 ILE 28 2.314 4.436 -9.332 195 HG21 ILE 28 1HG2 ILE 28 4.540 4.292 -6.716 196 HG22 ILE 28 2HG2 ILE 28 4.405 2.605 -7.209 197 HG23 ILE 28 3HG2 ILE 28 4.410 3.881 -8.426 198 HD11 ILE 28 1HD1 ILE 28 1.862 2.374 -10.455 199 HD12 ILE 28 2HD1 ILE 28 3.324 2.182 -9.487 200 HD13 ILE 28 3HD1 ILE 28 1.797 1.503 -8.923 201 H ALA 29 H ALA 29 3.889 1.020 -5.745 202 HA ALA 29 HA ALA 29 4.755 2.529 -3.432 203 HB1 ALA 29 1HB ALA 29 3.562 1.416 -1.926 204 HB2 ALA 29 2HB ALA 29 2.941 0.313 -3.155 205 HB3 ALA 29 3HB ALA 29 4.474 -0.032 -2.354 206 H LYS 30 H LYS 30 6.878 2.577 -3.739 207 HA LYS 30 HA LYS 30 8.224 0.125 -4.666 208 HB2 LYS 30 1HB LYS 30 8.791 3.034 -5.139 209 HB3 LYS 30 2HB LYS 30 10.087 1.851 -5.257 210 HG2 LYS 30 1HG LYS 30 9.240 0.901 -7.151 211 HG3 LYS 30 2HG LYS 30 7.575 1.333 -6.755 212 HD2 LYS 30 1HD LYS 30 9.603 3.442 -7.411 213 HD3 LYS 30 2HD LYS 30 8.751 2.574 -8.689 214 HE2 LYS 30 1HE LYS 30 6.615 3.294 -7.786 215 HE3 LYS 30 2HE LYS 30 7.430 4.098 -6.445 216 HZ1 LYS 30 1HZ LYS 30 8.179 4.857 -9.172 217 HZ2 LYS 30 2HZ LYS 30 8.133 5.796 -7.767 218 HZ3 LYS 30 3HZ LYS 30 6.697 5.411 -8.574 219 H VAL 31 H VAL 31 10.411 -0.234 -3.834 220 HA VAL 31 HA VAL 31 10.963 1.031 -1.249 221 HB VAL 31 HB VAL 31 9.686 -1.168 -0.967 222 HG11 VAL 31 1HG1 VAL 31 12.355 -2.269 -1.843 223 HG12 VAL 31 2HG1 VAL 31 11.050 -3.209 -1.116 224 HG13 VAL 31 3HG1 VAL 31 10.819 -2.448 -2.691 225 HG21 VAL 31 1HG2 VAL 31 10.640 -1.408 1.072 226 HG22 VAL 31 2HG2 VAL 31 12.278 -1.472 0.421 227 HG23 VAL 31 3HG2 VAL 31 11.464 0.081 0.607 228 H LYS 32 H LYS 32 13.122 1.112 -0.680 229 HA LYS 32 HA LYS 32 14.991 0.889 -2.842 230 HB2 LYS 32 1HB LYS 32 14.894 2.572 -0.810 231 HB3 LYS 32 2HB LYS 32 15.865 1.337 -0.019 232 HG2 LYS 32 1HG LYS 32 17.389 2.877 -0.924 233 HG3 LYS 32 2HG LYS 32 17.427 1.478 -2.000 234 HD2 LYS 32 1HD LYS 32 15.502 2.925 -3.196 235 HD3 LYS 32 2HD LYS 32 16.459 4.228 -2.487 236 HE2 LYS 32 1HE LYS 32 18.441 2.773 -3.525 237 HE3 LYS 32 2HE LYS 32 17.151 2.298 -4.629 238 HZ1 LYS 32 1HZ LYS 32 17.612 5.146 -4.043 239 HZ2 LYS 32 2HZ LYS 32 16.912 4.437 -5.410 240 HZ3 LYS 32 3HZ LYS 32 18.585 4.350 -5.176 241 H ALA 33 H ALA 33 16.199 -0.808 -3.360 242 HA ALA 33 HA ALA 33 16.765 -2.827 -1.294 243 HB1 ALA 33 1HB ALA 33 16.638 -4.489 -3.275 244 HB2 ALA 33 2HB ALA 33 15.143 -3.934 -2.521 245 HB3 ALA 33 3HB ALA 33 15.674 -3.231 -4.049 246 H GLU 34 H GLU 34 18.814 -3.595 -1.231 247 HA GLU 34 HA GLU 34 20.705 -2.451 -3.168 248 HB2 GLU 34 1HB GLU 34 21.118 -3.481 -0.359 249 HB3 GLU 34 2HB GLU 34 22.427 -2.983 -1.421 250 HG2 GLU 34 1HG GLU 34 21.245 -0.742 -1.576 251 HG3 GLU 34 2HG GLU 34 20.259 -1.294 -0.223 252 H ASP 35 H ASP 35 19.852 -5.451 -1.498 253 HA ASP 35 HA ASP 35 21.663 -6.956 -3.233 254 HB2 ASP 35 1HB ASP 35 20.281 -7.502 -0.649 255 HB3 ASP 35 2HB ASP 35 20.643 -8.874 -1.693 256 H LEU 36 H LEU 36 20.866 -8.954 -4.245 257 HA LEU 36 HA LEU 36 18.188 -8.522 -5.361 258 HB2 LEU 36 1HB LEU 36 20.304 -10.396 -6.388 259 HB3 LEU 36 2HB LEU 36 18.869 -9.818 -7.232 260 HG LEU 36 HG LEU 36 21.325 -8.211 -6.536 261 HD11 LEU 36 1HD1 LEU 36 20.248 -8.716 -9.278 262 HD12 LEU 36 2HD1 LEU 36 21.284 -9.906 -8.492 263 HD13 LEU 36 3HD1 LEU 36 21.880 -8.272 -8.779 264 HD21 LEU 36 1HD2 LEU 36 19.747 -6.768 -8.303 265 HD22 LEU 36 2HD2 LEU 36 19.994 -6.428 -6.590 266 HD23 LEU 36 3HD2 LEU 36 18.609 -7.390 -7.108 267 H LEU 37 H LEU 37 20.223 -10.984 -3.855 268 HA LEU 37 HA LEU 37 18.547 -13.181 -4.040 269 HB2 LEU 37 1HB LEU 37 20.482 -12.347 -1.896 270 HB3 LEU 37 2HB LEU 37 19.640 -13.895 -1.866 271 HG LEU 37 HG LEU 37 21.925 -14.109 -2.713 272 HD11 LEU 37 1HD1 LEU 37 21.414 -15.380 -4.702 273 HD12 LEU 37 2HD1 LEU 37 19.867 -14.551 -4.871 274 HD13 LEU 37 3HD1 LEU 37 20.147 -15.623 -3.500 275 HD21 LEU 37 1HD2 LEU 37 21.943 -11.785 -3.721 276 HD22 LEU 37 2HD2 LEU 37 21.066 -12.474 -5.087 277 HD23 LEU 37 3HD2 LEU 37 22.681 -13.063 -4.688 278 H ARG 38 H ARG 38 18.538 -10.550 -1.681 279 HA ARG 38 HA ARG 38 16.299 -11.708 -0.243 280 HB2 ARG 38 1HB ARG 38 17.678 -9.041 0.124 281 HB3 ARG 38 2HB ARG 38 16.499 -9.752 1.218 282 HG2 ARG 38 1HG ARG 38 19.160 -10.991 0.556 283 HG3 ARG 38 2HG ARG 38 18.847 -9.984 1.972 284 HD2 ARG 38 1HD ARG 38 17.302 -11.560 2.853 285 HD3 ARG 38 2HD ARG 38 17.283 -12.478 1.348 286 HE ARG 38 HE ARG 38 19.895 -12.360 2.475 287 HH11 ARG 38 2HH1 ARG 38 16.809 -13.949 2.746 288 HH12 ARG 38 1HH1 ARG 38 17.467 -15.392 3.443 289 HH21 ARG 38 2HH2 ARG 38 20.773 -14.254 3.393 290 HH22 ARG 38 1HH2 ARG 38 19.722 -15.564 3.812 291 H LYS 39 H LYS 39 14.226 -10.877 -0.166 292 HA LYS 39 HA LYS 39 13.574 -8.681 -1.998 293 HB2 LYS 39 1HB LYS 39 12.537 -11.483 -2.081 294 HB3 LYS 39 2HB LYS 39 11.449 -10.167 -2.506 295 HG2 LYS 39 1HG LYS 39 13.312 -9.421 -4.111 296 HG3 LYS 39 2HG LYS 39 13.962 -11.045 -3.874 297 HD2 LYS 39 1HD LYS 39 11.080 -10.708 -4.579 298 HD3 LYS 39 2HD LYS 39 12.304 -10.551 -5.841 299 HE2 LYS 39 1HE LYS 39 11.660 -12.932 -4.131 300 HE3 LYS 39 2HE LYS 39 11.672 -12.810 -5.889 301 HZ1 LYS 39 1HZ LYS 39 13.650 -13.834 -5.586 302 HZ2 LYS 39 2HZ LYS 39 13.892 -13.197 -4.038 303 HZ3 LYS 39 3HZ LYS 39 14.194 -12.243 -5.402 304 HA PRO 40 HA PRO 40 11.377 -7.477 1.688 305 HB2 PRO 40 1HB PRO 40 10.406 -5.151 0.679 306 HB3 PRO 40 2HB PRO 40 12.078 -5.339 1.221 307 HG2 PRO 40 1HG PRO 40 10.964 -5.440 -1.556 308 HG3 PRO 40 2HG PRO 40 12.437 -4.646 -0.970 309 HD2 PRO 40 1HD PRO 40 12.477 -7.039 -2.236 310 HD3 PRO 40 2HD PRO 40 13.646 -6.608 -0.971 311 H THR 41 H THR 41 9.506 -8.395 2.222 312 HA THR 41 HA THR 41 7.447 -8.870 0.251 313 HB THR 41 HB THR 41 7.340 -9.445 3.216 314 HG1 THR 41 1HG THR 41 9.128 -10.492 2.191 315 HG21 THR 41 1HG2 THR 41 5.359 -10.412 2.839 316 HG22 THR 41 2HG2 THR 41 5.959 -11.252 1.409 317 HG23 THR 41 3HG2 THR 41 5.366 -9.597 1.276 318 H ILE 42 H ILE 42 5.479 -7.898 0.105 319 HA ILE 42 HA ILE 42 4.957 -5.662 1.953 320 HB ILE 42 HB ILE 42 5.596 -4.816 -0.251 321 HG12 ILE 42 1HG1 ILE 42 2.629 -4.406 -0.079 322 HG13 ILE 42 2HG1 ILE 42 3.668 -3.846 1.227 323 HG21 ILE 42 1HG2 ILE 42 3.150 -5.885 -1.535 324 HG22 ILE 42 2HG2 ILE 42 4.724 -5.506 -2.231 325 HG23 ILE 42 3HG2 ILE 42 4.502 -6.995 -1.313 326 HD11 ILE 42 1HD1 ILE 42 4.028 -1.995 0.081 327 HD12 ILE 42 2HD1 ILE 42 4.839 -2.950 -1.161 328 HD13 ILE 42 3HD1 ILE 42 3.111 -2.624 -1.288 329 H LYS 43 H LYS 43 3.140 -5.849 3.070 330 HA LYS 43 HA LYS 43 0.976 -7.520 1.970 331 HB2 LYS 43 1HB LYS 43 2.243 -8.378 4.033 332 HB3 LYS 43 2HB LYS 43 1.448 -7.078 4.911 333 HG2 LYS 43 1HG LYS 43 -0.034 -8.746 5.312 334 HG3 LYS 43 2HG LYS 43 -0.707 -8.139 3.797 335 HD2 LYS 43 1HD LYS 43 -0.624 -10.474 3.536 336 HD3 LYS 43 2HD LYS 43 0.770 -9.866 2.640 337 HE2 LYS 43 1HE LYS 43 2.093 -10.274 4.793 338 HE3 LYS 43 2HE LYS 43 0.705 -11.224 5.319 339 HZ1 LYS 43 1HZ LYS 43 0.985 -12.475 3.156 340 HZ2 LYS 43 2HZ LYS 43 2.168 -12.741 4.336 341 HZ3 LYS 43 3HZ LYS 43 2.498 -11.729 3.021 342 H TRP 44 H TRP 44 -0.734 -6.357 1.415 343 HA TRP 44 HA TRP 44 -1.133 -3.703 2.509 344 HB2 TRP 44 1HB TRP 44 -2.808 -5.206 0.486 345 HB3 TRP 44 2HB TRP 44 -2.886 -3.482 0.840 346 HD1 TRP 44 HD TRP 44 -0.328 -6.039 -0.566 347 HE1 TRP 44 1HE TRP 44 1.141 -4.820 -2.293 348 HE3 TRP 44 3HE TRP 44 -2.216 -1.317 -0.047 349 HZ2 TRP 44 2HZ TRP 44 1.457 -2.202 -3.301 350 HZ3 TRP 44 3HZ TRP 44 -1.275 0.488 -1.429 351 HH2 TRP 44 HH TRP 44 0.524 0.053 -3.021 352 H PHE 45 H PHE 45 -2.700 -3.083 3.902 353 HA PHE 45 HA PHE 45 -4.664 -5.100 4.753 354 HB2 PHE 45 1HB PHE 45 -2.832 -3.441 6.467 355 HB3 PHE 45 2HB PHE 45 -4.360 -4.049 7.097 356 HD1 PHE 45 2HD PHE 45 -1.011 -4.947 5.939 357 HD2 PHE 45 1HD PHE 45 -4.689 -6.401 7.512 358 HE1 PHE 45 2HE PHE 45 0.066 -7.097 6.460 359 HE2 PHE 45 1HE PHE 45 -3.618 -8.553 8.037 360 HZ PHE 45 HZ PHE 45 -1.238 -8.904 7.509 361 H LYS 46 H LYS 46 -6.524 -4.152 5.922 362 HA LYS 46 HA LYS 46 -7.020 -1.328 5.380 363 HB2 LYS 46 1HB LYS 46 -7.819 -2.882 3.449 364 HB3 LYS 46 2HB LYS 46 -9.106 -3.325 4.562 365 HG2 LYS 46 1HG LYS 46 -8.602 -0.437 4.100 366 HG3 LYS 46 2HG LYS 46 -9.379 -1.366 2.816 367 HD2 LYS 46 1HD LYS 46 -10.954 -2.208 4.670 368 HD3 LYS 46 2HD LYS 46 -10.333 -0.852 5.615 369 HE2 LYS 46 1HE LYS 46 -11.155 0.728 4.059 370 HE3 LYS 46 2HE LYS 46 -11.470 -0.516 2.851 371 HZ1 LYS 46 1HZ LYS 46 -13.447 -0.973 3.742 372 HZ2 LYS 46 2HZ LYS 46 -13.301 0.500 4.560 373 HZ3 LYS 46 3HZ LYS 46 -12.864 -0.942 5.330 374 H GLY 47 H GLY 47 -8.618 -0.398 6.687 375 HA2 GLY 47 1HA GLY 47 -9.938 -0.161 8.551 376 HA3 GLY 47 2HA GLY 47 -10.341 -1.863 8.381 377 H LYS 48 H LYS 48 -10.151 -2.618 10.409 378 HA LYS 48 HA LYS 48 -7.734 -1.961 11.936 379 HB2 LYS 48 1HB LYS 48 -10.236 -1.839 12.800 380 HB3 LYS 48 2HB LYS 48 -9.978 -3.554 13.095 381 HG2 LYS 48 1HG LYS 48 -8.146 -1.413 14.142 382 HG3 LYS 48 2HG LYS 48 -9.536 -2.029 15.039 383 HD2 LYS 48 1HD LYS 48 -8.581 -4.306 14.876 384 HD3 LYS 48 2HD LYS 48 -7.164 -3.627 14.074 385 HE2 LYS 48 1HE LYS 48 -8.084 -2.713 16.787 386 HE3 LYS 48 2HE LYS 48 -6.971 -4.063 16.570 387 HZ1 LYS 48 1HZ LYS 48 -5.310 -2.698 15.836 388 HZ2 LYS 48 2HZ LYS 48 -6.079 -1.658 16.926 389 HZ3 LYS 48 3HZ LYS 48 -6.365 -1.505 15.265 390 H TRP 49 H TRP 49 -9.745 -4.790 11.125 391 HA TRP 49 HA TRP 49 -7.360 -6.477 11.497 392 HB2 TRP 49 1HB TRP 49 -10.223 -7.434 11.463 393 HB3 TRP 49 2HB TRP 49 -8.798 -8.307 12.017 394 HD1 TRP 49 HD TRP 49 -11.041 -5.342 13.061 395 HE1 TRP 49 1HE TRP 49 -10.872 -5.070 15.615 396 HE3 TRP 49 3HE TRP 49 -7.435 -8.839 14.013 397 HZ2 TRP 49 2HZ TRP 49 -9.405 -6.190 17.750 398 HZ3 TRP 49 3HZ TRP 49 -6.704 -9.176 16.338 399 HH2 TRP 49 HH TRP 49 -7.670 -7.878 18.167 400 H MET 50 H MET 50 -10.020 -5.687 9.343 401 HA MET 50 HA MET 50 -9.927 -7.605 7.428 402 HB2 MET 50 1HB MET 50 -11.192 -5.291 7.552 403 HB3 MET 50 2HB MET 50 -9.887 -4.767 6.496 404 HG2 MET 50 1HG MET 50 -10.481 -6.714 5.006 405 HG3 MET 50 2HG MET 50 -11.930 -6.906 5.990 406 HE1 MET 50 1HE MET 50 -10.045 -5.433 3.427 407 HE2 MET 50 2HE MET 50 -11.399 -5.063 2.359 408 HE3 MET 50 3HE MET 50 -10.556 -3.760 3.198 409 H ASP 51 H ASP 51 -8.340 -8.518 6.320 410 HA ASP 51 HA ASP 51 -5.926 -6.932 5.743 411 HB2 ASP 51 1HB ASP 51 -5.493 -8.866 7.170 412 HB3 ASP 51 2HB ASP 51 -6.251 -9.930 5.988 413 H LEU 52 H LEU 52 -5.917 -6.195 3.727 414 HA LEU 52 HA LEU 52 -7.506 -7.106 1.629 415 HB2 LEU 52 1HB LEU 52 -4.846 -5.715 1.375 416 HB3 LEU 52 2HB LEU 52 -6.142 -5.745 0.182 417 HG LEU 52 HG LEU 52 -6.354 -4.435 2.891 418 HD11 LEU 52 1HD1 LEU 52 -4.724 -3.204 1.699 419 HD12 LEU 52 2HD1 LEU 52 -6.240 -2.320 1.524 420 HD13 LEU 52 3HD1 LEU 52 -5.639 -3.310 0.195 421 HD21 LEU 52 1HD2 LEU 52 -8.222 -3.258 1.417 422 HD22 LEU 52 2HD2 LEU 52 -8.532 -4.745 2.312 423 HD23 LEU 52 3HD2 LEU 52 -8.181 -4.812 0.584 424 H ALA 53 H ALA 53 -4.145 -7.883 2.437 425 HA ALA 53 HA ALA 53 -3.292 -9.312 0.303 426 HB1 ALA 53 1HB ALA 53 -2.752 -10.787 2.748 427 HB2 ALA 53 2HB ALA 53 -1.642 -9.954 1.659 428 HB3 ALA 53 3HB ALA 53 -2.479 -9.053 2.924 429 H SER 54 H SER 54 -5.609 -10.395 2.730 430 HA SER 54 HA SER 54 -5.809 -13.043 1.605 431 HB2 SER 54 1HB SER 54 -6.166 -12.929 3.949 432 HB3 SER 54 2HB SER 54 -7.307 -11.593 3.787 433 HG SER 54 HG SER 54 -8.236 -13.742 4.145 434 H LYS 55 H LYS 55 -7.538 -10.012 1.392 435 HA LYS 55 HA LYS 55 -9.896 -10.986 0.181 436 HB2 LYS 55 1HB LYS 55 -8.609 -8.259 -0.051 437 HB3 LYS 55 2HB LYS 55 -10.261 -8.649 -0.513 438 HG2 LYS 55 1HG LYS 55 -9.301 -9.129 2.280 439 HG3 LYS 55 2HG LYS 55 -9.836 -7.528 1.762 440 HD2 LYS 55 1HD LYS 55 -11.922 -8.839 0.879 441 HD3 LYS 55 2HD LYS 55 -11.400 -10.058 2.043 442 HE2 LYS 55 1HE LYS 55 -11.309 -8.092 3.713 443 HE3 LYS 55 2HE LYS 55 -12.303 -7.242 2.532 444 HZ1 LYS 55 1HZ LYS 55 -13.651 -8.334 4.215 445 HZ2 LYS 55 2HZ LYS 55 -12.986 -9.835 3.807 446 HZ3 LYS 55 3HZ LYS 55 -13.944 -9.002 2.689 447 H ALA 56 H ALA 56 -6.740 -10.173 -1.064 448 HA ALA 56 HA ALA 56 -7.297 -9.849 -3.768 449 HB1 ALA 56 1HB ALA 56 -4.869 -11.237 -3.645 450 HB2 ALA 56 2HB ALA 56 -5.107 -9.489 -3.699 451 HB3 ALA 56 3HB ALA 56 -4.971 -10.313 -2.146 452 H GLY 57 H GLY 57 -8.394 -11.167 -5.062 453 HA2 GLY 57 1HA GLY 57 -7.581 -13.897 -5.412 454 HA3 GLY 57 2HA GLY 57 -9.145 -13.762 -4.623 455 H LYS 58 H LYS 58 -10.557 -11.972 -5.821 456 HA LYS 58 HA LYS 58 -10.355 -12.462 -8.716 457 HB2 LYS 58 1HB LYS 58 -12.078 -13.926 -7.698 458 HB3 LYS 58 2HB LYS 58 -12.906 -12.497 -7.092 459 HG2 LYS 58 1HG LYS 58 -13.529 -11.807 -9.241 460 HG3 LYS 58 2HG LYS 58 -12.367 -12.886 -10.017 461 HD2 LYS 58 1HD LYS 58 -14.387 -13.989 -10.333 462 HD3 LYS 58 2HD LYS 58 -13.734 -14.776 -8.895 463 HE2 LYS 58 1HE LYS 58 -15.082 -12.980 -7.604 464 HE3 LYS 58 2HE LYS 58 -15.961 -12.786 -9.120 465 HZ1 LYS 58 1HZ LYS 58 -15.696 -15.530 -8.425 466 HZ2 LYS 58 2HZ LYS 58 -17.097 -14.634 -8.732 467 HZ3 LYS 58 3HZ LYS 58 -16.437 -14.664 -7.174 468 H HIS 59 H HIS 59 -12.159 -10.538 -6.312 469 HA HIS 59 HA HIS 59 -12.577 -8.375 -8.135 470 HB2 HIS 59 1HB HIS 59 -12.949 -8.575 -5.142 471 HB3 HIS 59 2HB HIS 59 -13.424 -7.179 -6.104 472 HD1 HIS 59 1HD HIS 59 -15.284 -7.717 -8.005 473 HD2 HIS 59 2HD HIS 59 -14.837 -10.525 -4.976 474 HE1 HIS 59 1HE HIS 59 -17.372 -9.117 -8.072 475 HE2 HIS 59 2HE HIS 59 -17.117 -10.754 -6.176 476 H LEU 60 H LEU 60 -10.045 -9.295 -6.016 477 HA LEU 60 HA LEU 60 -8.719 -6.713 -6.500 478 HB2 LEU 60 1HB LEU 60 -9.312 -6.659 -4.211 479 HB3 LEU 60 2HB LEU 60 -8.811 -8.332 -3.969 480 HG LEU 60 HG LEU 60 -6.448 -7.301 -4.648 481 HD11 LEU 60 1HD1 LEU 60 -6.872 -5.047 -3.023 482 HD12 LEU 60 2HD1 LEU 60 -8.114 -5.005 -4.275 483 HD13 LEU 60 3HD1 LEU 60 -6.411 -5.087 -4.725 484 HD21 LEU 60 1HD2 LEU 60 -5.925 -7.834 -2.543 485 HD22 LEU 60 2HD2 LEU 60 -7.628 -8.256 -2.362 486 HD23 LEU 60 3HD2 LEU 60 -7.057 -6.661 -1.869 487 H GLN 61 H GLN 61 -6.523 -6.781 -6.931 488 HA GLN 61 HA GLN 61 -5.149 -9.345 -6.897 489 HB2 GLN 61 1HB GLN 61 -5.544 -7.752 -9.436 490 HB3 GLN 61 2HB GLN 61 -4.458 -9.125 -9.268 491 HG2 GLN 61 1HG GLN 61 -7.352 -9.432 -8.614 492 HG3 GLN 61 2HG GLN 61 -6.818 -9.448 -10.294 493 HE21 GLN 61 1HE2 GLN 61 -6.578 -11.049 -7.196 494 HE22 GLN 61 2HE2 GLN 61 -6.007 -12.562 -7.803 495 H LEU 62 H LEU 62 -3.155 -9.049 -6.165 496 HA LEU 62 HA LEU 62 -2.055 -6.353 -6.086 497 HB2 LEU 62 1HB LEU 62 -0.844 -8.839 -4.910 498 HB3 LEU 62 2HB LEU 62 -0.523 -7.162 -4.472 499 HG LEU 62 HG LEU 62 -3.098 -8.645 -3.946 500 HD11 LEU 62 1HD1 LEU 62 -0.637 -8.192 -2.343 501 HD12 LEU 62 2HD1 LEU 62 -1.712 -9.588 -2.398 502 HD13 LEU 62 3HD1 LEU 62 -2.197 -8.137 -1.522 503 HD21 LEU 62 1HD2 LEU 62 -2.282 -6.013 -2.770 504 HD22 LEU 62 2HD2 LEU 62 -3.886 -6.739 -2.870 505 HD23 LEU 62 3HD2 LEU 62 -3.117 -6.096 -4.321 506 H LYS 63 H LYS 63 0.100 -5.879 -6.758 507 HA LYS 63 HA LYS 63 1.189 -7.741 -8.762 508 HB2 LYS 63 1HB LYS 63 -0.061 -5.520 -9.527 509 HB3 LYS 63 2HB LYS 63 1.505 -4.805 -9.169 510 HG2 LYS 63 1HG LYS 63 2.591 -6.216 -10.764 511 HG3 LYS 63 2HG LYS 63 1.111 -7.144 -11.020 512 HD2 LYS 63 1HD LYS 63 0.094 -5.435 -12.210 513 HD3 LYS 63 2HD LYS 63 1.132 -4.192 -11.508 514 HE2 LYS 63 1HE LYS 63 3.028 -5.492 -12.751 515 HE3 LYS 63 2HE LYS 63 1.696 -6.114 -13.725 516 HZ1 LYS 63 1HZ LYS 63 1.276 -4.080 -14.622 517 HZ2 LYS 63 2HZ LYS 63 2.942 -3.922 -14.376 518 HZ3 LYS 63 3HZ LYS 63 1.856 -3.223 -13.283 519 H GLU 64 H GLU 64 3.441 -7.755 -9.009 520 HA GLU 64 HA GLU 64 5.068 -6.058 -7.313 521 HB2 GLU 64 1HB GLU 64 4.765 -7.656 -5.660 522 HB3 GLU 64 2HB GLU 64 4.662 -8.979 -6.813 523 HG2 GLU 64 1HG GLU 64 7.096 -8.668 -7.268 524 HG3 GLU 64 2HG GLU 64 7.134 -7.510 -5.938 525 H THR 65 H THR 65 7.012 -5.668 -8.199 526 HA THR 65 HA THR 65 8.142 -7.531 -10.135 527 HB THR 65 HB THR 65 6.729 -6.030 -11.492 528 HG1 THR 65 1HG THR 65 9.302 -5.162 -12.120 529 HG21 THR 65 1HG2 THR 65 6.676 -4.019 -10.236 530 HG22 THR 65 2HG2 THR 65 7.541 -3.639 -11.725 531 HG23 THR 65 3HG2 THR 65 8.435 -3.895 -10.227 532 H PHE 66 H PHE 66 10.348 -6.811 -10.846 533 HA PHE 66 HA PHE 66 11.670 -5.184 -8.781 534 HB2 PHE 66 1HB PHE 66 12.184 -7.442 -8.198 535 HB3 PHE 66 2HB PHE 66 12.531 -7.863 -9.871 536 HD1 PHE 66 1HD PHE 66 13.681 -5.388 -7.323 537 HD2 PHE 66 2HD PHE 66 14.736 -8.095 -10.433 538 HE1 PHE 66 1HE PHE 66 16.060 -4.883 -6.950 539 HE2 PHE 66 2HE PHE 66 17.117 -7.595 -10.065 540 HZ PHE 66 HZ PHE 66 17.782 -5.988 -8.321 541 H GLU 67 H GLU 67 13.459 -3.982 -9.439 542 HA GLU 67 HA GLU 67 14.001 -3.950 -12.331 543 HB2 GLU 67 1HB GLU 67 13.186 -1.708 -10.544 544 HB3 GLU 67 2HB GLU 67 14.357 -1.367 -11.810 545 HG2 GLU 67 1HG GLU 67 12.625 -2.564 -13.345 546 HG3 GLU 67 2HG GLU 67 11.501 -2.182 -12.042 547 H ARG 68 H ARG 68 15.935 -5.060 -12.071 548 HA ARG 68 HA ARG 68 17.902 -4.550 -10.163 549 HB2 ARG 68 1HB ARG 68 19.419 -5.427 -12.179 550 HB3 ARG 68 2HB ARG 68 18.375 -6.494 -11.250 551 HG2 ARG 68 1HG ARG 68 17.116 -5.207 -13.575 552 HG3 ARG 68 2HG ARG 68 18.400 -6.362 -13.939 553 HD2 ARG 68 1HD ARG 68 17.067 -7.791 -12.128 554 HD3 ARG 68 2HD ARG 68 15.735 -6.795 -12.713 555 HE ARG 68 HE ARG 68 17.226 -7.959 -14.849 556 HH11 ARG 68 2HH1 ARG 68 14.762 -8.596 -12.474 557 HH12 ARG 68 1HH1 ARG 68 14.009 -9.851 -13.402 558 HH21 ARG 68 2HH2 ARG 68 16.244 -9.609 -16.080 559 HH22 ARG 68 1HH2 ARG 68 14.853 -10.427 -15.452 560 H HIS 69 H HIS 69 17.021 -2.790 -12.995 561 HA HIS 69 HA HIS 69 19.289 -1.487 -13.772 562 HB2 HIS 69 1HB HIS 69 16.667 -0.048 -13.362 563 HB3 HIS 69 2HB HIS 69 17.909 0.296 -14.562 564 HD1 HIS 69 1HD HIS 69 15.087 -2.048 -13.825 565 HD2 HIS 69 2HD HIS 69 17.834 -1.302 -16.851 566 HE1 HIS 69 1HE HIS 69 14.288 -3.381 -15.802 567 HE2 HIS 69 2HE HIS 69 16.013 -2.982 -17.594 568 H SER 70 H SER 70 17.226 -0.662 -11.006 569 HA SER 70 HA SER 70 19.446 0.963 -9.953 570 HB2 SER 70 1HB SER 70 17.879 2.561 -9.051 571 HB3 SER 70 2HB SER 70 17.527 2.359 -10.767 572 HG SER 70 HG SER 70 15.596 1.811 -10.186 573 H ARG 71 H ARG 71 17.893 -1.818 -9.561 574 HA ARG 71 HA ARG 71 17.668 -3.303 -7.853 575 HB2 ARG 71 1HB ARG 71 19.335 -1.275 -6.354 576 HB3 ARG 71 2HB ARG 71 18.968 -2.896 -5.780 577 HG2 ARG 71 1HG ARG 71 20.030 -3.613 -8.064 578 HG3 ARG 71 2HG ARG 71 20.791 -2.024 -7.962 579 HD2 ARG 71 1HD ARG 71 21.299 -2.853 -5.492 580 HD3 ARG 71 2HD ARG 71 21.167 -4.431 -6.266 581 HE ARG 71 HE ARG 71 23.279 -2.508 -6.594 582 HH11 ARG 71 2HH1 ARG 71 21.620 -5.216 -8.019 583 HH12 ARG 71 1HH1 ARG 71 22.961 -5.683 -9.011 584 HH21 ARG 71 2HH2 ARG 71 25.052 -3.112 -7.896 585 HH22 ARG 71 1HH2 ARG 71 24.913 -4.486 -8.940 586 H VAL 72 H VAL 72 15.598 -1.445 -8.291 587 HA VAL 72 HA VAL 72 14.539 -1.142 -5.556 588 HB VAL 72 HB VAL 72 14.117 0.675 -7.929 589 HG11 VAL 72 1HG1 VAL 72 12.764 0.800 -5.236 590 HG12 VAL 72 2HG1 VAL 72 12.551 1.927 -6.578 591 HG13 VAL 72 3HG1 VAL 72 12.000 0.259 -6.730 592 HG21 VAL 72 1HG2 VAL 72 15.561 0.884 -5.329 593 HG22 VAL 72 2HG2 VAL 72 16.052 1.420 -6.936 594 HG23 VAL 72 3HG2 VAL 72 14.846 2.335 -6.032 595 H TYR 73 H TYR 73 12.655 -2.119 -5.148 596 HA TYR 73 HA TYR 73 11.364 -3.582 -7.306 597 HB2 TYR 73 1HB TYR 73 11.010 -3.623 -4.307 598 HB3 TYR 73 2HB TYR 73 10.014 -4.568 -5.408 599 HD1 TYR 73 2HD TYR 73 13.663 -3.905 -4.889 600 HD2 TYR 73 1HD TYR 73 10.611 -6.778 -5.619 601 HE1 TYR 73 2HE TYR 73 15.351 -5.694 -4.870 602 HE2 TYR 73 1HE TYR 73 12.291 -8.575 -5.601 603 HH TYR 73 HH TYR 73 14.529 -9.005 -5.704 604 H THR 74 H THR 74 9.114 -3.481 -7.724 605 HA THR 74 HA THR 74 7.789 -1.023 -6.788 606 HB THR 74 HB THR 74 7.644 -2.125 -9.601 607 HG1 THR 74 1HG THR 74 9.485 -0.584 -8.467 608 HG21 THR 74 1HG2 THR 74 6.271 -0.283 -10.137 609 HG22 THR 74 2HG2 THR 74 6.616 0.523 -8.606 610 HG23 THR 74 3HG2 THR 74 5.612 -0.927 -8.634 611 H PHE 75 H PHE 75 6.235 -1.763 -5.474 612 HA PHE 75 HA PHE 75 4.657 -4.091 -6.322 613 HB2 PHE 75 1HB PHE 75 4.632 -2.792 -3.598 614 HB3 PHE 75 2HB PHE 75 4.029 -4.386 -4.038 615 HD1 PHE 75 1HD PHE 75 5.644 -6.186 -4.631 616 HD2 PHE 75 2HD PHE 75 6.889 -2.450 -3.014 617 HE1 PHE 75 1HE PHE 75 7.814 -7.175 -4.027 618 HE2 PHE 75 2HE PHE 75 9.062 -3.433 -2.409 619 HZ PHE 75 HZ PHE 75 9.528 -5.798 -2.916 620 H GLU 76 H GLU 76 2.599 -3.875 -6.933 621 HA GLU 76 HA GLU 76 1.247 -1.316 -6.379 622 HB2 GLU 76 1HB GLU 76 0.810 -2.961 -8.867 623 HB3 GLU 76 2HB GLU 76 0.273 -1.318 -8.549 624 HG2 GLU 76 1HG GLU 76 2.342 -0.415 -8.945 625 HG3 GLU 76 2HG GLU 76 3.190 -1.908 -8.548 626 H MET 77 H MET 77 -1.178 -1.497 -6.625 627 HA MET 77 HA MET 77 -2.172 -4.146 -5.844 628 HB2 MET 77 1HB MET 77 -1.902 -2.966 -3.764 629 HB3 MET 77 2HB MET 77 -2.704 -1.541 -4.411 630 HG2 MET 77 1HG MET 77 -4.807 -2.645 -4.457 631 HG3 MET 77 2HG MET 77 -4.063 -4.202 -4.098 632 HE1 MET 77 1HE MET 77 -4.081 -0.716 -1.093 633 HE2 MET 77 2HE MET 77 -3.420 -0.681 -2.727 634 HE3 MET 77 3HE MET 77 -5.167 -0.672 -2.482 635 H GLN 78 H GLN 78 -3.269 -4.535 -7.712 636 HA GLN 78 HA GLN 78 -4.969 -2.510 -8.886 637 HB2 GLN 78 1HB GLN 78 -3.580 -4.564 -9.967 638 HB3 GLN 78 2HB GLN 78 -5.168 -5.305 -9.828 639 HG2 GLN 78 1HG GLN 78 -6.130 -3.427 -11.092 640 HG3 GLN 78 2HG GLN 78 -4.512 -2.751 -11.277 641 HE21 GLN 78 1HE2 GLN 78 -2.944 -4.737 -11.955 642 HE22 GLN 78 2HE2 GLN 78 -3.471 -5.523 -13.401 643 H ILE 79 H ILE 79 -6.899 -2.104 -8.046 644 HA ILE 79 HA ILE 79 -8.383 -4.286 -6.757 645 HB ILE 79 HB ILE 79 -8.873 -1.311 -6.574 646 HG12 ILE 79 1HG1 ILE 79 -7.226 -3.207 -4.966 647 HG13 ILE 79 2HG1 ILE 79 -6.925 -1.520 -5.365 648 HG21 ILE 79 1HG2 ILE 79 -10.031 -3.576 -4.954 649 HG22 ILE 79 2HG2 ILE 79 -10.394 -1.860 -4.773 650 HG23 ILE 79 3HG2 ILE 79 -10.873 -2.712 -6.241 651 HD11 ILE 79 1HD1 ILE 79 -8.780 -0.934 -3.773 652 HD12 ILE 79 2HD1 ILE 79 -8.755 -2.621 -3.258 653 HD13 ILE 79 3HD1 ILE 79 -7.324 -1.613 -3.046 654 H ILE 80 H ILE 80 -9.850 -5.249 -7.986 655 HA ILE 80 HA ILE 80 -11.117 -3.748 -10.161 656 HB ILE 80 HB ILE 80 -11.417 -6.702 -9.693 657 HG12 ILE 80 1HG1 ILE 80 -9.530 -6.574 -11.635 658 HG13 ILE 80 2HG1 ILE 80 -9.057 -5.195 -10.648 659 HG21 ILE 80 1HG2 ILE 80 -12.690 -6.550 -11.503 660 HG22 ILE 80 2HG2 ILE 80 -12.339 -4.828 -11.640 661 HG23 ILE 80 3HG2 ILE 80 -11.285 -6.008 -12.420 662 HD11 ILE 80 1HD1 ILE 80 -7.818 -6.907 -9.744 663 HD12 ILE 80 2HD1 ILE 80 -9.227 -6.873 -8.683 664 HD13 ILE 80 3HD1 ILE 80 -9.107 -8.092 -9.951 665 H LYS 81 H LYS 81 -13.295 -3.439 -10.301 666 HA LYS 81 HA LYS 81 -15.418 -3.096 -9.552 667 HB2 LYS 81 1HB LYS 81 -15.004 -5.832 -8.333 668 HB3 LYS 81 2HB LYS 81 -16.558 -5.046 -8.578 669 HG2 LYS 81 1HG LYS 81 -15.699 -4.951 -11.080 670 HG3 LYS 81 2HG LYS 81 -14.749 -6.337 -10.540 671 HD2 LYS 81 1HD LYS 81 -17.007 -7.192 -9.588 672 HD3 LYS 81 2HD LYS 81 -17.723 -6.025 -10.703 673 HE2 LYS 81 1HE LYS 81 -16.158 -7.147 -12.453 674 HE3 LYS 81 2HE LYS 81 -16.110 -8.474 -11.294 675 HZ1 LYS 81 1HZ LYS 81 -18.702 -8.120 -11.391 676 HZ2 LYS 81 2HZ LYS 81 -17.900 -9.095 -12.517 677 HZ3 LYS 81 3HZ LYS 81 -18.335 -7.512 -12.927 678 H ALA 82 H ALA 82 -13.615 -1.772 -8.027 679 HA ALA 82 HA ALA 82 -13.507 -2.244 -5.309 680 HB1 ALA 82 1HB ALA 82 -12.365 -0.344 -5.357 681 HB2 ALA 82 2HB ALA 82 -12.849 -0.126 -7.040 682 HB3 ALA 82 3HB ALA 82 -13.826 0.565 -5.745 683 H LYS 83 H LYS 83 -15.183 -2.734 -4.046 684 HA LYS 83 HA LYS 83 -17.780 -1.499 -4.482 685 HB2 LYS 83 1HB LYS 83 -17.191 -3.386 -2.232 686 HB3 LYS 83 2HB LYS 83 -18.680 -3.175 -3.144 687 HG2 LYS 83 1HG LYS 83 -17.857 -4.387 -4.978 688 HG3 LYS 83 2HG LYS 83 -16.194 -4.297 -4.394 689 HD2 LYS 83 1HD LYS 83 -16.995 -5.634 -2.382 690 HD3 LYS 83 2HD LYS 83 -18.471 -5.933 -3.303 691 HE2 LYS 83 1HE LYS 83 -16.956 -6.785 -5.157 692 HE3 LYS 83 2HE LYS 83 -15.656 -6.760 -3.967 693 HZ1 LYS 83 1HZ LYS 83 -16.700 -8.944 -4.145 694 HZ2 LYS 83 2HZ LYS 83 -18.191 -8.284 -3.699 695 HZ3 LYS 83 3HZ LYS 83 -16.907 -8.290 -2.598 696 H ASP 84 H ASP 84 -19.006 -0.817 -2.459 697 HA ASP 84 HA ASP 84 -17.790 1.419 -1.328 698 HB2 ASP 84 1HB ASP 84 -20.062 1.594 -1.159 699 HB3 ASP 84 2HB ASP 84 -20.276 -0.120 -0.815 700 H ASN 85 H ASN 85 -17.531 -1.885 -0.474 701 HA ASN 85 HA ASN 85 -16.832 -1.504 2.276 702 HB2 ASN 85 1HB ASN 85 -16.092 -3.899 0.603 703 HB3 ASN 85 2HB ASN 85 -16.399 -3.830 2.336 704 HD21 ASN 85 1HD2 ASN 85 -17.603 -5.591 0.439 705 HD22 ASN 85 2HD2 ASN 85 -19.302 -5.277 0.456 706 H PHE 86 H PHE 86 -15.192 -1.141 -0.690 707 HA PHE 86 HA PHE 86 -12.545 -1.623 0.343 708 HB2 PHE 86 1HB PHE 86 -13.535 -0.440 -2.254 709 HB3 PHE 86 2HB PHE 86 -11.830 -0.654 -1.873 710 HD1 PHE 86 2HD PHE 86 -14.950 -2.704 -1.716 711 HD2 PHE 86 1HD PHE 86 -10.844 -2.485 -2.818 712 HE1 PHE 86 2HE PHE 86 -15.057 -5.012 -2.560 713 HE2 PHE 86 1HE PHE 86 -10.945 -4.793 -3.665 714 HZ PHE 86 HZ PHE 86 -13.054 -6.060 -3.536 715 H ALA 87 H ALA 87 -14.748 0.884 0.585 716 HA ALA 87 HA ALA 87 -12.805 3.036 0.630 717 HB1 ALA 87 1HB ALA 87 -15.234 3.939 1.710 718 HB2 ALA 87 2HB ALA 87 -14.606 4.212 0.084 719 HB3 ALA 87 3HB ALA 87 -15.654 2.830 0.403 720 H GLY 88 H GLY 88 -11.642 3.552 2.359 721 HA2 GLY 88 1HA GLY 88 -12.515 3.989 4.919 722 HA3 GLY 88 2HA GLY 88 -12.095 2.283 4.890 723 H ASN 89 H ASN 89 -10.312 2.294 6.166 724 HA ASN 89 HA ASN 89 -8.120 4.111 5.434 725 HB2 ASN 89 1HB ASN 89 -8.827 4.256 7.771 726 HB3 ASN 89 2HB ASN 89 -8.568 2.526 7.973 727 HD21 ASN 89 1HD2 ASN 89 -6.699 5.182 6.540 728 HD22 ASN 89 2HD2 ASN 89 -5.250 4.865 7.427 729 H TYR 90 H TYR 90 -6.242 3.348 4.656 730 HA TYR 90 HA TYR 90 -5.953 0.423 4.454 731 HB2 TYR 90 1HB TYR 90 -5.232 2.651 2.580 732 HB3 TYR 90 2HB TYR 90 -4.363 1.122 2.505 733 HD1 TYR 90 2HD TYR 90 -7.937 2.199 2.807 734 HD2 TYR 90 1HD TYR 90 -5.100 -0.308 0.864 735 HE1 TYR 90 2HE TYR 90 -9.733 1.254 1.417 736 HE2 TYR 90 1HE TYR 90 -6.888 -1.259 -0.532 737 HH TYR 90 HH TYR 90 -10.262 -0.199 -0.170 738 H ARG 91 H ARG 91 -3.939 -0.517 4.824 739 HA ARG 91 HA ARG 91 -1.808 1.210 5.848 740 HB2 ARG 91 1HB ARG 91 -3.059 0.524 7.820 741 HB3 ARG 91 2HB ARG 91 -2.961 -1.161 7.327 742 HG2 ARG 91 1HG ARG 91 -0.434 -0.888 7.474 743 HG3 ARG 91 2HG ARG 91 -0.767 0.621 8.326 744 HD2 ARG 91 1HD ARG 91 -1.864 -2.062 9.150 745 HD3 ARG 91 2HD ARG 91 -0.388 -1.357 9.809 746 HE ARG 91 HE ARG 91 -3.105 -0.580 10.398 747 HH11 ARG 91 2HH1 ARG 91 0.253 0.333 10.474 748 HH12 ARG 91 1HH1 ARG 91 0.041 1.507 11.730 749 HH21 ARG 91 2HH2 ARG 91 -3.398 0.962 12.053 750 HH22 ARG 91 1HH2 ARG 91 -2.036 1.863 12.628 751 H CYS 92 H CYS 92 0.069 0.683 4.955 752 HA CYS 92 HA CYS 92 0.344 -1.974 3.734 753 HB2 CYS 92 1HB CYS 92 0.658 0.338 2.486 754 HB3 CYS 92 2HB CYS 92 2.269 0.246 3.189 755 HG CYS 92 HG CYS 92 2.982 -2.108 1.934 756 H GLU 93 H GLU 93 2.172 -3.239 4.084 757 HA GLU 93 HA GLU 93 3.979 -2.359 6.230 758 HB2 GLU 93 1HB GLU 93 2.478 -4.964 6.038 759 HB3 GLU 93 2HB GLU 93 3.925 -4.790 7.020 760 HG2 GLU 93 1HG GLU 93 2.901 -3.337 8.506 761 HG3 GLU 93 2HG GLU 93 1.623 -2.918 7.366 762 H VAL 94 H VAL 94 6.028 -2.473 5.621 763 HA VAL 94 HA VAL 94 6.826 -4.552 3.696 764 HB VAL 94 HB VAL 94 7.617 -1.640 3.647 765 HG11 VAL 94 1HG1 VAL 94 8.873 -4.035 2.361 766 HG12 VAL 94 2HG1 VAL 94 8.959 -2.448 1.592 767 HG13 VAL 94 3HG1 VAL 94 9.642 -2.688 3.201 768 HG21 VAL 94 1HG2 VAL 94 5.765 -3.308 2.137 769 HG22 VAL 94 2HG2 VAL 94 5.868 -1.552 2.257 770 HG23 VAL 94 3HG2 VAL 94 6.892 -2.419 1.113 771 H THR 95 H THR 95 8.387 -5.796 4.471 772 HA THR 95 HA THR 95 10.147 -4.706 6.569 773 HB THR 95 HB THR 95 9.775 -7.652 6.201 774 HG1 THR 95 1HG THR 95 7.702 -6.216 6.503 775 HG21 THR 95 1HG2 THR 95 10.144 -7.625 8.650 776 HG22 THR 95 2HG2 THR 95 10.306 -5.870 8.582 777 HG23 THR 95 3HG2 THR 95 11.476 -6.897 7.753 778 H TYR 96 H TYR 96 12.344 -5.057 6.448 779 HA TYR 96 HA TYR 96 13.377 -6.503 4.117 780 HB2 TYR 96 1HB TYR 96 13.168 -3.991 3.676 781 HB3 TYR 96 2HB TYR 96 14.449 -3.786 4.866 782 HD1 TYR 96 2HD TYR 96 13.974 -6.302 2.146 783 HD2 TYR 96 1HD TYR 96 16.376 -3.173 3.741 784 HE1 TYR 96 2HE TYR 96 15.656 -6.709 0.398 785 HE2 TYR 96 1HE TYR 96 18.064 -3.571 1.997 786 HH TYR 96 HH TYR 96 17.869 -6.310 -0.156 787 H LYS 97 H LYS 97 15.939 -6.392 4.288 788 HA LYS 97 HA LYS 97 16.909 -8.050 6.088 789 HB2 LYS 97 1HB LYS 97 18.265 -5.476 5.270 790 HB3 LYS 97 2HB LYS 97 19.085 -6.809 6.072 791 HG2 LYS 97 1HG LYS 97 18.849 -8.220 4.221 792 HG3 LYS 97 2HG LYS 97 17.614 -7.194 3.488 793 HD2 LYS 97 1HD LYS 97 19.139 -5.716 2.658 794 HD3 LYS 97 2HD LYS 97 20.281 -5.987 3.977 795 HE2 LYS 97 1HE LYS 97 20.919 -8.121 3.023 796 HE3 LYS 97 2HE LYS 97 19.712 -7.942 1.750 797 HZ1 LYS 97 1HZ LYS 97 22.151 -7.337 1.260 798 HZ2 LYS 97 2HZ LYS 97 21.813 -5.905 2.095 799 HZ3 LYS 97 3HZ LYS 97 20.930 -6.303 0.708 800 H ASP 98 H ASP 98 17.441 -4.618 6.853 801 HA ASP 98 HA ASP 98 16.610 -5.164 9.620 802 HB2 ASP 98 1HB ASP 98 19.065 -3.568 8.861 803 HB3 ASP 98 2HB ASP 98 18.509 -3.932 10.492 804 H LYS 99 H LYS 99 15.352 -3.802 7.301 805 HA LYS 99 HA LYS 99 14.800 -1.258 8.653 806 HB2 LYS 99 1HB LYS 99 15.113 -1.496 5.658 807 HB3 LYS 99 2HB LYS 99 14.826 -0.027 6.582 808 HG2 LYS 99 1HG LYS 99 16.999 0.007 7.430 809 HG3 LYS 99 2HG LYS 99 17.282 -1.687 7.020 810 HD2 LYS 99 1HD LYS 99 18.428 -0.701 5.313 811 HD3 LYS 99 2HD LYS 99 16.829 -0.778 4.569 812 HE2 LYS 99 1HE LYS 99 16.488 1.560 5.613 813 HE3 LYS 99 2HE LYS 99 18.243 1.574 5.775 814 HZ1 LYS 99 1HZ LYS 99 17.119 2.523 3.653 815 HZ2 LYS 99 2HZ LYS 99 17.049 0.901 3.177 816 HZ3 LYS 99 3HZ LYS 99 18.543 1.619 3.518 817 H PHE 100 H PHE 100 12.690 -0.573 8.558 818 HA PHE 100 HA PHE 100 10.800 -2.034 6.885 819 HB2 PHE 100 1HB PHE 100 10.595 -3.402 8.771 820 HB3 PHE 100 2HB PHE 100 10.817 -2.059 9.888 821 HD1 PHE 100 2HD PHE 100 8.974 -0.519 10.360 822 HD2 PHE 100 1HD PHE 100 8.449 -3.930 7.869 823 HE1 PHE 100 2HE PHE 100 6.534 -0.312 10.598 824 HE2 PHE 100 1HE PHE 100 6.007 -3.728 8.102 825 HZ PHE 100 HZ PHE 100 5.047 -1.918 9.469 826 H ASP 101 H ASP 101 8.817 -0.957 6.564 827 HA ASP 101 HA ASP 101 8.341 1.598 7.821 828 HB2 ASP 101 1HB ASP 101 10.005 2.065 5.978 829 HB3 ASP 101 2HB ASP 101 8.773 1.544 4.831 830 H SER 102 H SER 102 6.228 2.277 7.633 831 HA SER 102 HA SER 102 4.444 0.706 5.913 832 HB2 SER 102 1HB SER 102 2.834 0.441 7.744 833 HB3 SER 102 2HB SER 102 4.376 -0.304 8.162 834 HG SER 102 HG SER 102 4.650 2.071 9.051 835 H CYS 103 H CYS 103 3.156 1.973 4.760 836 HA CYS 103 HA CYS 103 2.746 4.743 5.662 837 HB2 CYS 103 1HB CYS 103 3.898 4.566 3.519 838 HB3 CYS 103 2HB CYS 103 2.603 3.560 2.881 839 HG CYS 103 HG CYS 103 1.806 6.660 3.993 840 H SER 104 H SER 104 0.733 5.549 5.938 841 HA SER 104 HA SER 104 -1.506 3.681 5.520 842 HB2 SER 104 1HB SER 104 -2.659 4.960 7.323 843 HB3 SER 104 2HB SER 104 -1.172 4.185 7.871 844 HG SER 104 HG SER 104 -1.292 6.337 8.597 845 H PHE 105 H PHE 105 -3.091 4.235 4.171 846 HA PHE 105 HA PHE 105 -3.371 7.060 3.402 847 HB2 PHE 105 1HB PHE 105 -3.961 6.093 1.065 848 HB3 PHE 105 2HB PHE 105 -2.267 6.234 1.521 849 HD1 PHE 105 1HD PHE 105 -1.168 4.136 2.546 850 HD2 PHE 105 2HD PHE 105 -4.793 4.071 0.315 851 HE1 PHE 105 1HE PHE 105 -0.847 1.738 2.099 852 HE2 PHE 105 2HE PHE 105 -4.478 1.673 -0.134 853 HZ PHE 105 HZ PHE 105 -2.503 0.503 0.759 854 H ASP 106 H ASP 106 -5.482 7.453 2.238 855 HA ASP 106 HA ASP 106 -7.599 5.772 3.415 856 HB2 ASP 106 1HB ASP 106 -8.992 7.860 3.450 857 HB3 ASP 106 2HB ASP 106 -7.609 7.892 4.541 858 H LEU 107 H LEU 107 -8.864 4.788 1.993 859 HA LEU 107 HA LEU 107 -8.896 5.766 -0.776 860 HB2 LEU 107 1HB LEU 107 -8.153 3.415 -0.246 861 HB3 LEU 107 2HB LEU 107 -9.818 3.082 0.226 862 HG LEU 107 HG LEU 107 -9.082 2.358 -2.105 863 HD11 LEU 107 1HD1 LEU 107 -11.435 4.164 -2.310 864 HD12 LEU 107 2HD1 LEU 107 -11.477 2.854 -1.131 865 HD13 LEU 107 3HD1 LEU 107 -11.240 2.493 -2.841 866 HD21 LEU 107 1HD2 LEU 107 -8.678 3.873 -3.751 867 HD22 LEU 107 2HD2 LEU 107 -8.067 4.798 -2.379 868 HD23 LEU 107 3HD2 LEU 107 -9.684 5.118 -3.010 869 H GLU 108 H GLU 108 -10.700 6.562 -1.655 870 HA GLU 108 HA GLU 108 -13.180 6.388 -0.083 871 HB2 GLU 108 1HB GLU 108 -12.039 8.488 -1.882 872 HB3 GLU 108 2HB GLU 108 -13.783 8.379 -1.695 873 HG2 GLU 108 1HG GLU 108 -13.556 8.662 0.712 874 HG3 GLU 108 2HG GLU 108 -11.803 8.744 0.542 875 H VAL 109 H VAL 109 -15.137 5.905 -1.091 876 HA VAL 109 HA VAL 109 -14.949 4.874 -3.843 877 HB VAL 109 HB VAL 109 -16.528 3.573 -1.622 878 HG11 VAL 109 1HG1 VAL 109 -15.890 2.142 -4.121 879 HG12 VAL 109 2HG1 VAL 109 -17.360 2.127 -3.145 880 HG13 VAL 109 3HG1 VAL 109 -17.052 3.461 -4.258 881 HG21 VAL 109 1HG2 VAL 109 -14.191 2.256 -2.906 882 HG22 VAL 109 2HG2 VAL 109 -13.889 3.475 -1.667 883 HG23 VAL 109 3HG2 VAL 109 -14.855 2.050 -1.285 884 H HIS 110 H HIS 110 -16.273 5.964 -5.124 885 HA HIS 110 HA HIS 110 -18.675 7.202 -3.976 886 HB2 HIS 110 1HB HIS 110 -17.138 7.779 -6.512 887 HB3 HIS 110 2HB HIS 110 -18.677 8.539 -6.114 888 HD1 HIS 110 1HD HIS 110 -17.310 10.818 -6.180 889 HD2 HIS 110 2HD HIS 110 -16.300 8.203 -3.113 890 HE1 HIS 110 1HE HIS 110 -16.010 12.194 -4.524 891 HE2 HIS 110 2HE HIS 110 -15.336 10.571 -2.720 892 H GLU 111 H GLU 111 -20.703 6.879 -4.855 893 HA GLU 111 HA GLU 111 -21.193 4.348 -6.018 894 HB2 GLU 111 1HB GLU 111 -23.036 6.733 -5.777 895 HB3 GLU 111 2HB GLU 111 -23.537 5.090 -6.154 896 HG2 GLU 111 1HG GLU 111 -22.277 4.583 -3.880 897 HG3 GLU 111 2HG GLU 111 -22.683 6.272 -3.577 898 H SER 112 H SER 112 -21.157 3.729 -8.071 899 HA SER 112 HA SER 112 -20.483 5.537 -10.158 900 HB2 SER 112 1HB SER 112 -19.692 3.267 -10.292 901 HB3 SER 112 2HB SER 112 -21.336 2.635 -10.205 902 HG SER 112 HG SER 112 -20.073 3.048 -12.367 903 H THR 113 H THR 113 -23.401 3.573 -9.579 904 HA THR 113 HA THR 113 -24.894 4.731 -11.688 905 HB THR 113 HB THR 113 -26.882 3.731 -10.521 906 HG1 THR 113 1HG THR 113 -26.180 3.822 -8.379 907 HG21 THR 113 1HG2 THR 113 -26.316 2.004 -11.812 908 HG22 THR 113 2HG2 THR 113 -25.372 1.364 -10.466 909 HG23 THR 113 3HG2 THR 113 -24.604 2.402 -11.667 910 H GLY 114 H GLY 114 -26.872 6.021 -11.433 911 HA2 GLY 114 1HA GLY 114 -26.409 8.455 -10.158 912 HA3 GLY 114 2HA GLY 114 -27.975 7.908 -10.738 913 H THR 115 H THR 115 -27.338 9.461 -8.353 914 HA THR 115 HA THR 115 -28.653 7.714 -6.399 915 HB THR 115 HB THR 115 -27.237 8.667 -4.580 916 HG1 THR 115 1HG THR 115 -25.113 9.474 -5.522 917 HG21 THR 115 1HG2 THR 115 -26.653 6.590 -6.359 918 HG22 THR 115 2HG2 THR 115 -25.999 6.817 -4.737 919 HG23 THR 115 3HG2 THR 115 -25.131 7.451 -6.135 920 H THR 116 H THR 116 -29.474 9.025 -4.496 921 HA THR 116 HA THR 116 -30.338 11.696 -5.396 922 HB THR 116 HB THR 116 -32.496 11.321 -4.266 923 HG1 THR 116 1HG THR 116 -31.199 9.112 -3.363 924 HG21 THR 116 1HG2 THR 116 -33.340 10.541 -6.183 925 HG22 THR 116 2HG2 THR 116 -32.561 8.974 -5.969 926 HG23 THR 116 3HG2 THR 116 -31.676 10.304 -6.715 927 HA PRO 117 HA PRO 117 -28.871 13.267 -1.564 928 HB2 PRO 117 1HB PRO 117 -30.554 15.367 -1.212 929 HB3 PRO 117 2HB PRO 117 -29.265 15.361 -2.421 930 HG2 PRO 117 1HG PRO 117 -32.188 14.813 -2.767 931 HG3 PRO 117 2HG PRO 117 -31.101 15.772 -3.789 932 HD2 PRO 117 1HD PRO 117 -31.823 13.237 -4.407 933 HD3 PRO 117 2HD PRO 117 -30.236 13.909 -4.834 934 H ASN 118 H ASN 118 -29.178 12.851 0.549 935 HA ASN 118 HA ASN 118 -31.719 11.683 1.359 936 HB2 ASN 118 1HB ASN 118 -28.995 11.806 2.651 937 HB3 ASN 118 2HB ASN 118 -30.411 11.183 3.493 938 HD21 ASN 118 1HD2 ASN 118 -30.909 9.117 3.241 939 HD22 ASN 118 2HD2 ASN 118 -30.238 8.060 2.050 940 H ILE 119 H ILE 119 -32.319 12.196 3.754 941 HA ILE 119 HA ILE 119 -32.737 15.071 3.876 942 HB ILE 119 HB ILE 119 -33.851 12.871 5.620 943 HG12 ILE 119 1HG1 ILE 119 -35.388 14.473 3.596 944 HG13 ILE 119 2HG1 ILE 119 -34.488 13.043 3.104 945 HG21 ILE 119 1HG2 ILE 119 -33.705 15.606 6.127 946 HG22 ILE 119 2HG2 ILE 119 -35.354 15.331 5.566 947 HG23 ILE 119 3HG2 ILE 119 -34.729 14.426 6.945 948 HD11 ILE 119 1HD1 ILE 119 -37.074 13.090 3.994 949 HD12 ILE 119 2HD1 ILE 119 -36.031 11.669 3.927 950 HD13 ILE 119 3HD1 ILE 119 -36.178 12.585 5.426 951 H ASP 120 H ASP 120 -31.329 16.305 4.915 952 HA ASP 120 HA ASP 120 -29.748 15.162 7.101 953 HB2 ASP 120 1HB ASP 120 -28.676 16.391 5.135 954 HB3 ASP 120 2HB ASP 120 -29.349 17.866 5.826 955 H SER 121 H SER 121 -29.761 15.978 9.157 956 HA SER 121 HA SER 121 -32.122 17.352 9.986 957 HB2 SER 121 1HB SER 121 -29.631 16.585 11.528 958 HB3 SER 121 2HB SER 121 -31.107 17.218 12.256 959 HG SER 121 HG SER 121 -32.001 15.293 10.871 960 H GLY 122 H GLY 122 -31.744 19.182 11.734 961 HA2 GLY 122 1HA GLY 122 -29.890 21.161 10.563 962 HA3 GLY 122 2HA GLY 122 -31.542 21.582 10.988 963 HA PRO 123 HA PRO 123 -28.481 22.188 14.581 964 HB2 PRO 123 1HB PRO 123 -28.331 24.898 14.510 965 HB3 PRO 123 2HB PRO 123 -27.213 23.850 13.628 966 HG2 PRO 123 1HG PRO 123 -29.633 25.305 12.632 967 HG3 PRO 123 2HG PRO 123 -28.040 25.132 11.872 968 HD2 PRO 123 1HD PRO 123 -30.173 23.634 11.140 969 HD3 PRO 123 2HD PRO 123 -28.509 23.020 11.077 970 H SER 124 H SER 124 -28.921 23.676 16.515 971 HA SER 124 HA SER 124 -31.425 24.915 16.856 972 HB2 SER 124 1HB SER 124 -32.659 23.310 18.119 973 HB3 SER 124 2HB SER 124 -32.128 22.482 16.655 974 HG SER 124 HG SER 124 -31.053 21.147 17.857 975 H SER 125 H SER 125 -31.714 25.767 18.964 976 HA SER 125 HA SER 125 -29.847 25.174 21.062 977 HB2 SER 125 1HB SER 125 -28.418 26.578 19.652 978 HB3 SER 125 2HB SER 125 -29.647 27.843 19.643 979 HG SER 125 HG SER 125 -27.763 27.833 21.267 980 H GLY 126 H GLY 126 -30.606 25.807 23.026 981 HA2 GLY 126 1HA GLY 126 -33.249 26.344 23.462 982 HA3 GLY 126 2HA GLY 126 -31.980 26.787 24.595
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