NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
540688 | 2lqc | 18302 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1HT ALA 1 -5.467 -12.750 -11.544 2 H2 ALA 1 2HT ALA 1 -3.972 -12.284 -12.201 3 H3 ALA 1 3HT ALA 1 -5.177 -11.122 -11.913 4 HA ALA 1 HA ALA 1 -3.248 -12.265 -10.099 5 HB1 ALA 1 2HB ALA 1 -3.520 -10.129 -9.020 6 HB2 ALA 1 3HB ALA 1 -5.056 -9.846 -9.840 7 HB3 ALA 1 1HB ALA 1 -3.549 -9.824 -10.756 8 H ASP 2 H ASP 2 -6.443 -12.813 -10.675 9 HA ASP 2 HA ASP 2 -7.648 -12.743 -8.125 10 HB2 ASP 2 2HB ASP 2 -8.181 -14.139 -10.730 11 HB3 ASP 2 1HB ASP 2 -9.113 -14.609 -9.314 12 H GLN 3 H GLN 3 -5.835 -15.289 -9.816 13 HA GLN 3 HA GLN 3 -6.212 -17.186 -7.646 14 HB2 GLN 3 2HB GLN 3 -4.543 -17.267 -10.169 15 HB3 GLN 3 1HB GLN 3 -4.651 -18.595 -9.013 16 HG2 GLN 3 2HG GLN 3 -7.071 -18.730 -9.348 17 HG3 GLN 3 1HG GLN 3 -7.017 -17.349 -10.443 18 HE21 GLN 3 1HE2 GLN 3 -8.069 -19.309 -11.800 19 HE22 GLN 3 2HE2 GLN 3 -6.962 -20.183 -12.744 20 H LEU 4 H LEU 4 -4.832 -17.592 -6.001 21 HA LEU 4 HA LEU 4 -2.718 -15.728 -5.469 22 HB2 LEU 4 2HB LEU 4 -4.298 -16.992 -3.800 23 HB3 LEU 4 1HB LEU 4 -3.107 -18.285 -3.925 24 HG LEU 4 HG LEU 4 -1.371 -16.342 -3.447 25 HD11 LEU 4 1HD1 LEU 4 -3.394 -14.665 -3.567 26 HD12 LEU 4 2HD1 LEU 4 -2.149 -14.437 -2.344 27 HD13 LEU 4 3HD1 LEU 4 -3.689 -15.183 -1.909 28 HD21 LEU 4 3HD2 LEU 4 -1.544 -16.790 -1.048 29 HD22 LEU 4 1HD2 LEU 4 -1.846 -18.274 -1.952 30 HD23 LEU 4 2HD2 LEU 4 -3.195 -17.377 -1.255 31 H THR 5 H THR 5 -0.478 -16.341 -4.963 32 HA THR 5 HA THR 5 0.640 -18.802 -5.770 33 HB THR 5 HB THR 5 -0.071 -17.656 -8.002 34 HG1 THR 5 1HG THR 5 1.331 -19.451 -7.813 35 HG21 THR 5 3HG2 THR 5 2.566 -16.260 -7.635 36 HG22 THR 5 1HG2 THR 5 1.059 -15.462 -7.190 37 HG23 THR 5 2HG2 THR 5 1.332 -15.963 -8.860 38 H GLU 6 H GLU 6 3.130 -18.528 -6.018 39 HA GLU 6 HA GLU 6 4.196 -17.452 -3.719 40 HB2 GLU 6 2HB GLU 6 5.327 -19.071 -5.287 41 HB3 GLU 6 1HB GLU 6 5.647 -17.717 -6.367 42 HG2 GLU 6 2HG GLU 6 7.623 -18.048 -5.042 43 HG3 GLU 6 1HG GLU 6 6.839 -16.587 -4.443 44 H GLU 7 H GLU 7 4.369 -16.016 -6.958 45 HA GLU 7 HA GLU 7 5.613 -13.656 -6.428 46 HB2 GLU 7 2HB GLU 7 4.894 -14.223 -8.672 47 HB3 GLU 7 1HB GLU 7 3.204 -14.133 -8.196 48 HG2 GLU 7 2HG GLU 7 3.811 -12.126 -9.385 49 HG3 GLU 7 1HG GLU 7 3.487 -11.724 -7.710 50 H GLN 8 H GLN 8 2.041 -14.080 -6.230 51 HA GLN 8 HA GLN 8 1.278 -11.674 -5.337 52 HB2 GLN 8 2HB GLN 8 -0.043 -13.850 -5.754 53 HB3 GLN 8 1HB GLN 8 0.189 -14.153 -4.037 54 HG2 GLN 8 2HG GLN 8 -1.907 -13.012 -4.231 55 HG3 GLN 8 1HG GLN 8 -0.759 -11.836 -3.604 56 HE21 GLN 8 1HE2 GLN 8 -1.322 -9.861 -4.547 57 HE22 GLN 8 2HE2 GLN 8 -1.619 -9.634 -6.203 58 H ILE 9 H ILE 9 2.060 -14.317 -3.008 59 HA ILE 9 HA ILE 9 1.842 -12.680 -0.755 60 HB ILE 9 HB ILE 9 3.378 -14.412 0.338 61 HG12 ILE 9 2HG1 ILE 9 3.103 -15.660 -2.410 62 HG13 ILE 9 1HG1 ILE 9 4.598 -15.015 -1.736 63 HG21 ILE 9 1HG2 ILE 9 1.008 -15.457 -1.244 64 HG22 ILE 9 2HG2 ILE 9 0.874 -14.542 0.259 65 HG23 ILE 9 3HG2 ILE 9 1.645 -16.126 0.257 66 HD11 ILE 9 3HD1 ILE 9 4.405 -16.622 0.139 67 HD12 ILE 9 1HD1 ILE 9 4.560 -17.395 -1.433 68 HD13 ILE 9 2HD1 ILE 9 2.987 -17.322 -0.648 69 H ALA 10 H ALA 10 4.779 -13.492 -2.615 70 HA ALA 10 HA ALA 10 6.584 -11.996 -1.108 71 HB1 ALA 10 1HB ALA 10 6.747 -12.264 -4.109 72 HB2 ALA 10 2HB ALA 10 7.013 -13.649 -3.046 73 HB3 ALA 10 3HB ALA 10 8.066 -12.235 -2.936 74 H GLU 11 H GLU 11 4.389 -11.091 -3.693 75 HA GLU 11 HA GLU 11 5.350 -8.494 -4.202 76 HB2 GLU 11 2HB GLU 11 3.652 -9.895 -5.530 77 HB3 GLU 11 1HB GLU 11 2.451 -9.313 -4.379 78 HG2 GLU 11 2HG GLU 11 2.373 -7.778 -6.186 79 HG3 GLU 11 1HG GLU 11 3.295 -6.960 -4.926 80 H PHE 12 H PHE 12 2.828 -9.654 -1.952 81 HA PHE 12 HA PHE 12 2.077 -7.112 -1.005 82 HB2 PHE 12 2HB PHE 12 0.510 -8.390 0.026 83 HB3 PHE 12 1HB PHE 12 1.364 -9.830 -0.515 84 HD1 PHE 12 2HD PHE 12 1.475 -7.212 2.158 85 HD2 PHE 12 1HD PHE 12 2.255 -11.293 1.094 86 HE1 PHE 12 2HE PHE 12 2.090 -7.701 4.495 87 HE2 PHE 12 1HE PHE 12 2.887 -11.786 3.434 88 HZ PHE 12 HZ PHE 12 2.802 -9.994 5.143 89 H LYS 13 H LYS 13 4.499 -9.432 0.156 90 HA LYS 13 HA LYS 13 5.260 -8.022 2.469 91 HB2 LYS 13 2HB LYS 13 5.850 -10.372 2.016 92 HB3 LYS 13 1HB LYS 13 6.919 -9.854 0.719 93 HG2 LYS 13 2HG LYS 13 7.217 -8.818 3.544 94 HG3 LYS 13 1HG LYS 13 7.976 -10.322 3.030 95 HD2 LYS 13 2HD LYS 13 8.783 -8.615 0.998 96 HD3 LYS 13 1HD LYS 13 8.706 -7.507 2.362 97 HE2 LYS 13 2HE LYS 13 10.108 -9.095 3.667 98 HE3 LYS 13 1HE LYS 13 10.272 -10.073 2.207 99 HZ1 LYS 13 3HZ LYS 13 11.809 -8.702 1.428 100 HZ2 LYS 13 1HZ LYS 13 11.805 -7.894 2.920 101 HZ3 LYS 13 2HZ LYS 13 10.809 -7.348 1.655 102 H GLU 14 H GLU 14 6.575 -7.968 -0.847 103 HA GLU 14 HA GLU 14 8.659 -6.153 -0.413 104 HB2 GLU 14 2HB GLU 14 6.941 -6.701 -2.826 105 HB3 GLU 14 1HB GLU 14 8.295 -5.576 -2.870 106 HG2 GLU 14 2HG GLU 14 9.839 -7.336 -2.200 107 HG3 GLU 14 1HG GLU 14 8.511 -8.476 -2.009 108 H ALA 15 H ALA 15 5.355 -5.459 -1.625 109 HA ALA 15 HA ALA 15 5.575 -2.686 -1.662 110 HB1 ALA 15 1HB ALA 15 3.015 -4.073 -0.907 111 HB2 ALA 15 2HB ALA 15 3.694 -4.252 -2.524 112 HB3 ALA 15 3HB ALA 15 3.249 -2.655 -1.929 113 H PHE 16 H PHE 16 4.536 -4.841 0.954 114 HA PHE 16 HA PHE 16 3.830 -2.892 2.826 115 HB2 PHE 16 2HB PHE 16 3.199 -4.952 3.588 116 HB3 PHE 16 1HB PHE 16 4.572 -5.763 2.858 117 HD1 PHE 16 2HD PHE 16 3.687 -3.452 5.689 118 HD2 PHE 16 1HD PHE 16 6.361 -6.462 4.183 119 HE1 PHE 16 2HE PHE 16 4.875 -3.502 7.868 120 HE2 PHE 16 1HE PHE 16 7.544 -6.503 6.352 121 HZ PHE 16 HZ PHE 16 6.806 -5.023 8.180 122 H SER 17 H SER 17 6.942 -4.541 2.379 123 HA SER 17 HA SER 17 8.371 -3.273 4.399 124 HB2 SER 17 2HB SER 17 9.410 -5.129 3.373 125 HB3 SER 17 1HB SER 17 9.202 -4.459 1.757 126 HG SER 17 HG SER 17 11.126 -3.956 3.674 127 H LEU 18 H LEU 18 7.648 -2.202 1.103 128 HA LEU 18 HA LEU 18 9.463 -0.006 1.089 129 HB2 LEU 18 2HB LEU 18 6.924 -0.522 -0.467 130 HB3 LEU 18 1HB LEU 18 7.979 0.860 -0.757 131 HG LEU 18 HG LEU 18 8.877 -2.036 -0.876 132 HD11 LEU 18 1HD1 LEU 18 8.004 -0.098 -3.022 133 HD12 LEU 18 2HD1 LEU 18 7.391 -1.721 -2.714 134 HD13 LEU 18 3HD1 LEU 18 9.008 -1.503 -3.376 135 HD21 LEU 18 3HD2 LEU 18 10.750 -0.715 -2.278 136 HD22 LEU 18 1HD2 LEU 18 10.862 -0.888 -0.527 137 HD23 LEU 18 2HD2 LEU 18 10.254 0.612 -1.225 138 H PHE 19 H PHE 19 6.031 -0.253 1.980 139 HA PHE 19 HA PHE 19 5.719 2.533 2.465 140 HB2 PHE 19 2HB PHE 19 4.161 0.164 3.469 141 HB3 PHE 19 1HB PHE 19 3.653 1.840 3.666 142 HD1 PHE 19 2HD PHE 19 3.845 3.256 1.335 143 HD2 PHE 19 1HD PHE 19 3.245 -0.982 1.669 144 HE1 PHE 19 2HE PHE 19 2.881 3.208 -0.944 145 HE2 PHE 19 1HE PHE 19 2.279 -1.030 -0.583 146 HZ PHE 19 HZ PHE 19 2.094 1.063 -1.913 147 H ASP 20 H ASP 20 6.195 -0.203 4.725 148 HA ASP 20 HA ASP 20 6.222 1.341 7.067 149 HB2 ASP 20 2HB ASP 20 6.140 -1.205 6.831 150 HB3 ASP 20 1HB ASP 20 7.892 -1.135 6.658 151 H LYS 21 H LYS 21 7.435 3.248 6.300 152 HA LYS 21 HA LYS 21 10.200 3.109 5.630 153 HB2 LYS 21 2HB LYS 21 8.993 5.489 7.023 154 HB3 LYS 21 1HB LYS 21 10.245 5.457 5.787 155 HG2 LYS 21 2HG LYS 21 7.296 4.913 5.433 156 HG3 LYS 21 1HG LYS 21 8.215 6.243 4.758 157 HD2 LYS 21 2HD LYS 21 8.593 3.311 4.031 158 HD3 LYS 21 1HD LYS 21 7.774 4.515 3.056 159 HE2 LYS 21 2HE LYS 21 9.944 5.877 3.162 160 HE3 LYS 21 1HE LYS 21 10.705 4.406 3.765 161 HZ1 LYS 21 3HZ LYS 21 9.186 3.666 1.577 162 HZ2 LYS 21 1HZ LYS 21 10.877 3.733 1.685 163 HZ3 LYS 21 2HZ LYS 21 10.010 5.079 1.115 164 H ASP 22 H ASP 22 8.631 3.992 8.723 165 HA ASP 22 HA ASP 22 11.006 4.192 10.191 166 HB2 ASP 22 2HB ASP 22 9.587 4.056 12.159 167 HB3 ASP 22 1HB ASP 22 8.765 5.013 10.926 168 H GLY 23 H GLY 23 9.381 1.459 8.929 169 HA2 GLY 23 2HA GLY 23 9.837 -0.776 9.014 170 HA3 GLY 23 1HA GLY 23 11.405 -0.333 9.675 171 H ASP 24 H ASP 24 8.173 0.235 11.085 172 HA ASP 24 HA ASP 24 9.098 -1.086 13.545 173 HB2 ASP 24 2HB ASP 24 7.327 0.008 14.662 174 HB3 ASP 24 1HB ASP 24 7.967 1.194 13.529 175 H GLY 25 H GLY 25 7.498 -1.966 10.770 176 HA2 GLY 25 2HA GLY 25 6.792 -4.228 10.397 177 HA3 GLY 25 1HA GLY 25 6.321 -4.336 12.090 178 H THR 26 H THR 26 5.335 -1.374 11.038 179 HA THR 26 HA THR 26 2.754 -2.289 9.928 180 HB THR 26 HB THR 26 1.721 -0.505 11.530 181 HG1 THR 26 1HG THR 26 3.984 -1.263 13.039 182 HG21 THR 26 3HG2 THR 26 2.712 -3.179 12.546 183 HG22 THR 26 1HG2 THR 26 1.201 -2.884 11.679 184 HG23 THR 26 2HG2 THR 26 1.433 -2.219 13.296 185 H ILE 27 H ILE 27 1.514 -0.531 8.969 186 HA ILE 27 HA ILE 27 3.294 1.602 7.921 187 HB ILE 27 HB ILE 27 0.806 0.383 6.736 188 HG12 ILE 27 2HG1 ILE 27 3.635 0.397 5.695 189 HG13 ILE 27 1HG1 ILE 27 2.978 -0.922 6.661 190 HG21 ILE 27 1HG2 ILE 27 0.775 2.682 6.116 191 HG22 ILE 27 2HG2 ILE 27 1.529 1.850 4.755 192 HG23 ILE 27 3HG2 ILE 27 2.527 2.725 5.919 193 HD11 ILE 27 3HD1 ILE 27 1.885 0.055 3.997 194 HD12 ILE 27 1HD1 ILE 27 1.136 -1.189 4.999 195 HD13 ILE 27 2HD1 ILE 27 2.726 -1.471 4.291 196 H THR 28 H THR 28 2.655 3.731 8.039 197 HA THR 28 HA THR 28 0.154 4.287 9.546 198 HB THR 28 HB THR 28 2.840 5.655 9.835 199 HG1 THR 28 1HG THR 28 1.374 4.259 11.793 200 HG21 THR 28 3HG2 THR 28 1.550 6.719 11.807 201 HG22 THR 28 1HG2 THR 28 0.093 6.210 10.953 202 HG23 THR 28 2HG2 THR 28 1.219 7.330 10.189 203 H THR 29 H THR 29 -0.629 6.492 9.280 204 HA THR 29 HA THR 29 -1.114 7.163 6.628 205 HB THR 29 HB THR 29 -2.069 9.212 7.469 206 HG1 THR 29 1HG THR 29 -0.910 8.703 9.978 207 HG21 THR 29 3HG2 THR 29 -3.383 8.336 9.442 208 HG22 THR 29 1HG2 THR 29 -2.356 6.905 9.408 209 HG23 THR 29 2HG2 THR 29 -3.390 7.281 8.032 210 H LYS 30 H LYS 30 1.222 8.551 8.900 211 HA LYS 30 HA LYS 30 2.252 10.514 7.132 212 HB2 LYS 30 2HB LYS 30 3.406 9.226 9.610 213 HB3 LYS 30 1HB LYS 30 4.178 10.563 8.755 214 HG2 LYS 30 2HG LYS 30 2.169 11.947 9.077 215 HG3 LYS 30 1HG LYS 30 1.370 10.610 9.904 216 HD2 LYS 30 2HD LYS 30 3.176 10.632 11.618 217 HD3 LYS 30 1HD LYS 30 3.888 12.033 10.816 218 HE2 LYS 30 2HE LYS 30 1.099 11.902 12.007 219 HE3 LYS 30 1HE LYS 30 2.480 12.749 12.702 220 HZ1 LYS 30 3HZ LYS 30 2.575 14.164 10.773 221 HZ2 LYS 30 1HZ LYS 30 1.019 14.230 11.447 222 HZ3 LYS 30 2HZ LYS 30 1.296 13.318 10.040 223 H GLU 31 H GLU 31 3.271 7.202 7.915 224 HA GLU 31 HA GLU 31 5.665 7.163 6.455 225 HB2 GLU 31 2HB GLU 31 3.673 5.000 7.147 226 HB3 GLU 31 1HB GLU 31 5.171 4.651 6.290 227 HG2 GLU 31 2HG GLU 31 6.475 5.618 8.131 228 HG3 GLU 31 1HG GLU 31 4.992 6.046 8.976 229 H LEU 32 H LEU 32 2.465 5.948 5.439 230 HA LEU 32 HA LEU 32 3.159 5.533 2.739 231 HB2 LEU 32 2HB LEU 32 1.237 4.486 3.634 232 HB3 LEU 32 1HB LEU 32 0.514 6.009 4.119 233 HG LEU 32 HG LEU 32 0.335 6.611 1.678 234 HD11 LEU 32 1HD1 LEU 32 2.076 5.287 0.708 235 HD12 LEU 32 2HD1 LEU 32 0.557 4.621 0.110 236 HD13 LEU 32 3HD1 LEU 32 1.424 3.803 1.410 237 HD21 LEU 32 3HD2 LEU 32 -0.974 4.112 2.749 238 HD22 LEU 32 1HD2 LEU 32 -1.415 4.804 1.188 239 HD23 LEU 32 2HD2 LEU 32 -1.631 5.745 2.663 240 H GLY 33 H GLY 33 1.505 8.257 4.328 241 HA2 GLY 33 2HA GLY 33 0.928 9.841 2.155 242 HA3 GLY 33 1HA GLY 33 1.400 10.490 3.725 243 H THR 34 H THR 34 4.012 9.614 3.919 244 HA THR 34 HA THR 34 5.405 11.559 2.448 245 HB THR 34 HB THR 34 6.459 9.058 3.793 246 HG1 THR 34 1HG THR 34 6.225 11.744 4.667 247 HG21 THR 34 3HG2 THR 34 7.802 11.542 2.718 248 HG22 THR 34 1HG2 THR 34 8.163 9.859 2.331 249 HG23 THR 34 2HG2 THR 34 8.562 10.503 3.924 250 H VAL 35 H VAL 35 5.154 7.998 1.960 251 HA VAL 35 HA VAL 35 6.803 7.838 -0.281 252 HB VAL 35 HB VAL 35 4.367 6.179 0.442 253 HG11 VAL 35 1HG1 VAL 35 6.657 5.789 -1.495 254 HG12 VAL 35 2HG1 VAL 35 4.927 5.649 -1.804 255 HG13 VAL 35 3HG1 VAL 35 5.754 4.418 -0.847 256 HG21 VAL 35 3HG2 VAL 35 5.829 4.792 1.689 257 HG22 VAL 35 1HG2 VAL 35 6.271 6.433 2.158 258 HG23 VAL 35 2HG2 VAL 35 7.269 5.549 1.005 259 H MET 36 H MET 36 3.343 8.509 0.034 260 HA MET 36 HA MET 36 2.769 8.450 -2.762 261 HB2 MET 36 2HB MET 36 1.347 9.859 -0.493 262 HB3 MET 36 1HB MET 36 0.710 9.694 -2.131 263 HG2 MET 36 2HG MET 36 0.867 7.227 -1.931 264 HG3 MET 36 1HG MET 36 1.452 7.409 -0.279 265 HE1 MET 36 3HE MET 36 -1.752 6.707 -2.303 266 HE2 MET 36 1HE MET 36 -1.102 8.271 -2.816 267 HE3 MET 36 2HE MET 36 -2.673 8.184 -2.022 268 H ARG 37 H ARG 37 3.789 11.027 -0.570 269 HA ARG 37 HA ARG 37 3.501 13.131 -2.508 270 HB2 ARG 37 2HB ARG 37 3.458 13.521 -0.066 271 HB3 ARG 37 1HB ARG 37 5.184 13.151 -0.017 272 HG2 ARG 37 2HG ARG 37 5.704 14.999 -1.472 273 HG3 ARG 37 1HG ARG 37 3.997 15.289 -1.811 274 HD2 ARG 37 2HD ARG 37 3.618 15.813 0.547 275 HD3 ARG 37 1HD ARG 37 5.319 15.534 0.884 276 HE ARG 37 HE ARG 37 4.163 17.862 -0.428 277 HH11 ARG 37 1HH2 ARG 37 6.974 15.952 0.238 278 HH12 ARG 37 2HH2 ARG 37 8.091 17.231 -0.104 279 HH21 ARG 37 1HH1 ARG 37 5.624 19.544 -0.879 280 HH22 ARG 37 2HH1 ARG 37 7.327 19.262 -0.736 281 H SER 38 H SER 38 6.343 11.440 -1.178 282 HA SER 38 HA SER 38 8.326 12.687 -2.649 283 HB2 SER 38 2HB SER 38 8.561 10.924 -0.802 284 HB3 SER 38 1HB SER 38 8.382 9.727 -2.082 285 HG SER 38 HG SER 38 10.196 10.564 -3.076 286 H LEU 39 H LEU 39 6.088 10.187 -3.648 287 HA LEU 39 HA LEU 39 7.432 9.576 -6.104 288 HB2 LEU 39 2HB LEU 39 4.661 9.002 -5.070 289 HB3 LEU 39 1HB LEU 39 5.229 8.445 -6.641 290 HG LEU 39 HG LEU 39 6.757 7.885 -4.086 291 HD11 LEU 39 1HD1 LEU 39 4.667 6.137 -5.419 292 HD12 LEU 39 2HD1 LEU 39 4.463 6.973 -3.880 293 HD13 LEU 39 3HD1 LEU 39 5.658 5.684 -4.034 294 HD21 LEU 39 3HD2 LEU 39 6.825 6.840 -6.926 295 HD22 LEU 39 1HD2 LEU 39 7.438 5.859 -5.600 296 HD23 LEU 39 2HD2 LEU 39 8.158 7.424 -5.935 297 H GLY 40 H GLY 40 5.379 12.119 -5.093 298 HA2 GLY 40 2HA GLY 40 4.969 14.079 -6.299 299 HA3 GLY 40 1HA GLY 40 5.426 13.246 -7.780 300 H GLN 41 H GLN 41 3.213 11.597 -5.746 301 HA GLN 41 HA GLN 41 1.039 12.137 -7.670 302 HB2 GLN 41 2HB GLN 41 1.602 9.867 -5.769 303 HB3 GLN 41 1HB GLN 41 0.041 10.084 -6.540 304 HG2 GLN 41 2HG GLN 41 1.105 10.032 -8.760 305 HG3 GLN 41 1HG GLN 41 2.682 9.837 -7.995 306 HE21 GLN 41 1HE2 GLN 41 0.699 8.013 -9.708 307 HE22 GLN 41 2HE2 GLN 41 0.790 6.531 -8.885 308 H ASN 42 H ASN 42 -1.214 11.933 -6.632 309 HA ASN 42 HA ASN 42 -1.953 14.092 -5.283 310 HB2 ASN 42 2HB ASN 42 -3.902 12.888 -4.452 311 HB3 ASN 42 1HB ASN 42 -3.514 12.415 -6.101 312 HD21 ASN 42 1HD2 ASN 42 -2.474 10.282 -6.421 313 HD22 ASN 42 2HD2 ASN 42 -2.609 9.082 -5.228 314 HA PRO 43 HA PRO 43 0.270 13.249 -1.363 315 HB2 PRO 43 2HB PRO 43 0.630 15.854 -0.599 316 HB3 PRO 43 1HB PRO 43 1.670 15.040 -1.782 317 HG2 PRO 43 2HG PRO 43 -0.502 17.018 -2.222 318 HG3 PRO 43 1HG PRO 43 0.995 16.763 -3.135 319 HD2 PRO 43 2HD PRO 43 -1.547 15.857 -3.899 320 HD3 PRO 43 1HD PRO 43 -0.011 15.259 -4.559 321 H THR 44 H THR 44 -2.760 13.716 -1.921 322 HA THR 44 HA THR 44 -3.876 15.143 0.224 323 HB THR 44 HB THR 44 -5.275 14.565 -1.624 324 HG1 THR 44 1HG THR 44 -6.378 14.572 0.303 325 HG21 THR 44 3HG2 THR 44 -3.968 12.440 -2.174 326 HG22 THR 44 1HG2 THR 44 -5.714 12.337 -2.367 327 HG23 THR 44 2HG2 THR 44 -4.938 11.633 -0.953 328 H GLU 45 H GLU 45 -2.257 14.384 1.849 329 HA GLU 45 HA GLU 45 -2.292 11.780 2.940 330 HB2 GLU 45 2HB GLU 45 -0.477 13.302 3.440 331 HB3 GLU 45 1HB GLU 45 -1.589 14.452 4.179 332 HG2 GLU 45 2HG GLU 45 -2.080 12.940 5.980 333 HG3 GLU 45 1HG GLU 45 -1.214 11.624 5.189 334 H ALA 46 H ALA 46 -4.642 14.162 2.908 335 HA ALA 46 HA ALA 46 -5.851 13.580 5.481 336 HB1 ALA 46 1HB ALA 46 -7.064 15.011 3.111 337 HB2 ALA 46 2HB ALA 46 -6.061 15.793 4.333 338 HB3 ALA 46 3HB ALA 46 -7.608 15.077 4.788 339 H GLU 47 H GLU 47 -6.463 12.780 2.095 340 HA GLU 47 HA GLU 47 -8.848 11.344 2.410 341 HB2 GLU 47 2HB GLU 47 -7.858 12.062 0.228 342 HB3 GLU 47 1HB GLU 47 -6.627 10.819 0.418 343 HG2 GLU 47 2HG GLU 47 -8.334 9.907 -0.999 344 HG3 GLU 47 1HG GLU 47 -8.497 9.119 0.567 345 H LEU 48 H LEU 48 -5.457 10.281 2.513 346 HA LEU 48 HA LEU 48 -5.987 7.535 2.933 347 HB2 LEU 48 2HB LEU 48 -3.625 9.317 3.484 348 HB3 LEU 48 1HB LEU 48 -3.604 7.624 3.974 349 HG LEU 48 HG LEU 48 -2.591 8.042 1.712 350 HD11 LEU 48 1HD1 LEU 48 -3.355 6.043 0.847 351 HD12 LEU 48 2HD1 LEU 48 -5.045 6.389 1.189 352 HD13 LEU 48 3HD1 LEU 48 -3.966 5.881 2.489 353 HD21 LEU 48 3HD2 LEU 48 -4.322 9.864 1.181 354 HD22 LEU 48 1HD2 LEU 48 -5.428 8.548 0.791 355 HD23 LEU 48 2HD2 LEU 48 -3.936 8.747 -0.126 356 H GLN 49 H GLN 49 -5.110 10.117 5.239 357 HA GLN 49 HA GLN 49 -5.197 8.713 7.598 358 HB2 GLN 49 2HB GLN 49 -6.071 11.522 6.947 359 HB3 GLN 49 1HB GLN 49 -6.156 10.904 8.596 360 HG2 GLN 49 2HG GLN 49 -3.795 10.488 8.647 361 HG3 GLN 49 1HG GLN 49 -3.640 10.809 6.926 362 HE21 GLN 49 1HE2 GLN 49 -2.380 12.224 9.309 363 HE22 GLN 49 2HE2 GLN 49 -2.806 13.855 9.114 364 H ASP 50 H ASP 50 -7.930 9.908 5.727 365 HA ASP 50 HA ASP 50 -9.899 9.122 7.665 366 HB2 ASP 50 2HB ASP 50 -10.153 10.940 5.914 367 HB3 ASP 50 1HB ASP 50 -10.357 9.650 4.731 368 H MET 51 H MET 51 -8.605 7.713 4.664 369 HA MET 51 HA MET 51 -10.420 5.530 4.554 370 HB2 MET 51 2HB MET 51 -7.698 6.026 3.355 371 HB3 MET 51 1HB MET 51 -8.573 4.522 3.084 372 HG2 MET 51 2HG MET 51 -9.754 7.255 2.529 373 HG3 MET 51 1HG MET 51 -8.943 6.279 1.304 374 HE1 MET 51 3HE MET 51 -12.862 6.188 0.677 375 HE2 MET 51 1HE MET 51 -11.332 6.967 0.252 376 HE3 MET 51 2HE MET 51 -12.168 7.413 1.737 377 H ILE 52 H ILE 52 -7.146 5.861 5.907 378 HA ILE 52 HA ILE 52 -6.863 3.165 6.704 379 HB ILE 52 HB ILE 52 -5.546 5.736 7.583 380 HG12 ILE 52 2HG1 ILE 52 -4.447 3.238 6.253 381 HG13 ILE 52 1HG1 ILE 52 -5.008 4.651 5.369 382 HG21 ILE 52 1HG2 ILE 52 -5.494 4.465 9.601 383 HG22 ILE 52 2HG2 ILE 52 -3.936 4.157 8.833 384 HG23 ILE 52 3HG2 ILE 52 -5.222 2.955 8.733 385 HD11 ILE 52 3HD1 ILE 52 -2.461 4.412 5.935 386 HD12 ILE 52 1HD1 ILE 52 -2.940 4.979 7.534 387 HD13 ILE 52 2HD1 ILE 52 -3.243 5.981 6.112 388 H ASN 53 H ASN 53 -8.099 6.032 8.359 389 HA ASN 53 HA ASN 53 -8.498 4.987 10.901 390 HB2 ASN 53 2HB ASN 53 -9.982 7.061 9.294 391 HB3 ASN 53 1HB ASN 53 -10.479 6.654 10.936 392 HD21 ASN 53 1HD2 ASN 53 -9.490 9.260 10.310 393 HD22 ASN 53 2HD2 ASN 53 -7.991 9.467 11.080 394 H GLU 54 H GLU 54 -10.092 4.175 7.956 395 HA GLU 54 HA GLU 54 -12.418 3.011 9.317 396 HB2 GLU 54 2HB GLU 54 -11.674 3.246 6.394 397 HB3 GLU 54 1HB GLU 54 -13.141 2.462 6.980 398 HG2 GLU 54 2HG GLU 54 -12.381 5.335 7.583 399 HG3 GLU 54 1HG GLU 54 -13.500 4.850 6.312 400 H VAL 55 H VAL 55 -10.027 1.818 6.920 401 HA VAL 55 HA VAL 55 -10.648 -0.903 7.326 402 HB VAL 55 HB VAL 55 -8.421 -1.316 6.204 403 HG11 VAL 55 1HG1 VAL 55 -10.376 0.639 4.955 404 HG12 VAL 55 2HG1 VAL 55 -10.479 -1.121 4.907 405 HG13 VAL 55 3HG1 VAL 55 -9.178 -0.291 4.055 406 HG21 VAL 55 3HG2 VAL 55 -8.348 1.667 5.779 407 HG22 VAL 55 1HG2 VAL 55 -7.063 0.490 5.518 408 HG23 VAL 55 2HG2 VAL 55 -7.522 0.950 7.160 409 H ASP 56 H ASP 56 -8.680 1.257 9.192 410 HA ASP 56 HA ASP 56 -6.813 -0.437 10.344 411 HB2 ASP 56 2HB ASP 56 -6.957 1.042 12.345 412 HB3 ASP 56 1HB ASP 56 -6.818 1.932 10.830 413 H ALA 57 H ALA 57 -7.194 -2.427 11.079 414 HA ALA 57 HA ALA 57 -9.671 -3.347 12.087 415 HB1 ALA 57 1HB ALA 57 -6.877 -4.482 12.251 416 HB2 ALA 57 2HB ALA 57 -8.151 -4.917 11.111 417 HB3 ALA 57 3HB ALA 57 -8.311 -5.342 12.815 418 H ASP 58 H ASP 58 -6.619 -2.599 13.802 419 HA ASP 58 HA ASP 58 -7.868 -3.001 16.389 420 HB2 ASP 58 2HB ASP 58 -5.134 -2.004 15.577 421 HB3 ASP 58 1HB ASP 58 -5.650 -2.188 17.252 422 H GLY 59 H GLY 59 -7.468 -0.372 14.212 423 HA2 GLY 59 2HA GLY 59 -8.372 1.773 14.371 424 HA3 GLY 59 1HA GLY 59 -8.836 1.425 16.035 425 H ASN 60 H ASN 60 -5.621 0.688 15.134 426 HA ASN 60 HA ASN 60 -4.535 2.603 16.995 427 HB2 ASN 60 2HB ASN 60 -3.738 0.211 16.654 428 HB3 ASN 60 1HB ASN 60 -3.029 0.760 15.137 429 HD21 ASN 60 1HD2 ASN 60 -0.833 0.436 15.883 430 HD22 ASN 60 2HD2 ASN 60 -0.136 1.431 17.068 431 H GLY 61 H GLY 61 -5.368 2.629 13.743 432 HA2 GLY 61 2HA GLY 61 -5.191 4.411 12.259 433 HA3 GLY 61 1HA GLY 61 -3.993 5.151 13.316 434 H THR 62 H THR 62 -3.545 1.827 12.543 435 HA THR 62 HA THR 62 -1.579 2.486 10.425 436 HB THR 62 HB THR 62 0.049 1.052 11.423 437 HG1 THR 62 1HG THR 62 -0.401 -0.248 13.096 438 HG21 THR 62 3HG2 THR 62 -1.176 2.768 13.596 439 HG22 THR 62 1HG2 THR 62 -0.107 3.359 12.323 440 HG23 THR 62 2HG2 THR 62 0.498 2.217 13.524 441 H ILE 63 H ILE 63 -1.059 0.717 9.019 442 HA ILE 63 HA ILE 63 -3.239 -1.292 8.831 443 HB ILE 63 HB ILE 63 -1.326 -0.420 6.662 444 HG12 ILE 63 2HG1 ILE 63 -2.624 1.526 7.271 445 HG13 ILE 63 1HG1 ILE 63 -3.322 0.865 5.794 446 HG21 ILE 63 1HG2 ILE 63 -2.890 -1.513 5.175 447 HG22 ILE 63 2HG2 ILE 63 -3.998 -1.829 6.510 448 HG23 ILE 63 3HG2 ILE 63 -2.441 -2.655 6.439 449 HD11 ILE 63 3HD1 ILE 63 -4.886 -0.461 7.409 450 HD12 ILE 63 1HD1 ILE 63 -5.207 1.248 7.138 451 HD13 ILE 63 2HD1 ILE 63 -4.380 0.732 8.605 452 H ASP 64 H ASP 64 -2.760 -3.289 9.347 453 HA ASP 64 HA ASP 64 -0.025 -4.105 9.802 454 HB2 ASP 64 2HB ASP 64 -2.502 -5.821 9.941 455 HB3 ASP 64 1HB ASP 64 -0.960 -6.077 10.754 456 H PHE 65 H PHE 65 0.618 -6.350 9.045 457 HA PHE 65 HA PHE 65 1.033 -6.390 6.309 458 HB2 PHE 65 2HB PHE 65 0.988 -9.031 7.709 459 HB3 PHE 65 1HB PHE 65 2.218 -8.334 6.679 460 HD1 PHE 65 2HD PHE 65 0.773 -8.266 10.101 461 HD2 PHE 65 1HD PHE 65 3.982 -6.998 7.541 462 HE1 PHE 65 2HE PHE 65 2.058 -7.517 12.085 463 HE2 PHE 65 1HE PHE 65 5.266 -6.250 9.525 464 HZ PHE 65 HZ PHE 65 4.304 -6.509 11.797 465 HA PRO 66 HA PRO 66 -2.457 -9.768 5.830 466 HB2 PRO 66 2HB PRO 66 -4.566 -9.476 7.643 467 HB3 PRO 66 1HB PRO 66 -3.258 -10.665 7.792 468 HG2 PRO 66 2HG PRO 66 -3.533 -7.985 9.085 469 HG3 PRO 66 1HG PRO 66 -2.977 -9.519 9.781 470 HD2 PRO 66 2HD PRO 66 -1.243 -7.642 9.086 471 HD3 PRO 66 1HD PRO 66 -0.881 -9.354 8.813 472 H GLU 67 H GLU 67 -3.676 -6.748 7.303 473 HA GLU 67 HA GLU 67 -5.914 -6.363 5.716 474 HB2 GLU 67 2HB GLU 67 -4.016 -4.341 6.912 475 HB3 GLU 67 1HB GLU 67 -5.571 -3.921 6.191 476 HG2 GLU 67 2HG GLU 67 -6.734 -5.356 7.783 477 HG3 GLU 67 1HG GLU 67 -5.200 -5.882 8.471 478 H PHE 68 H PHE 68 -2.637 -5.088 5.146 479 HA PHE 68 HA PHE 68 -3.174 -3.820 2.715 480 HB2 PHE 68 2HB PHE 68 -1.104 -3.483 3.976 481 HB3 PHE 68 1HB PHE 68 -0.607 -5.134 3.611 482 HD1 PHE 68 2HD PHE 68 -0.154 -5.814 1.255 483 HD2 PHE 68 1HD PHE 68 -0.938 -1.734 2.340 484 HE1 PHE 68 2HE PHE 68 0.779 -5.059 -0.914 485 HE2 PHE 68 1HE PHE 68 -0.014 -0.979 0.164 486 HZ PHE 68 HZ PHE 68 0.842 -2.644 -1.463 487 H LEU 69 H LEU 69 -1.988 -7.092 3.364 488 HA LEU 69 HA LEU 69 -1.750 -7.970 0.714 489 HB2 LEU 69 2HB LEU 69 -0.721 -9.244 2.425 490 HB3 LEU 69 1HB LEU 69 -2.234 -9.430 3.313 491 HG LEU 69 HG LEU 69 -2.248 -10.478 0.503 492 HD11 LEU 69 1HD1 LEU 69 -0.529 -11.652 2.684 493 HD12 LEU 69 2HD1 LEU 69 -0.100 -11.320 1.008 494 HD13 LEU 69 3HD1 LEU 69 -1.189 -12.653 1.389 495 HD21 LEU 69 3HD2 LEU 69 -4.099 -10.664 2.325 496 HD22 LEU 69 1HD2 LEU 69 -3.071 -11.897 3.047 497 HD23 LEU 69 2HD2 LEU 69 -3.702 -12.119 1.417 498 H THR 70 H THR 70 -4.550 -7.558 2.749 499 HA THR 70 HA THR 70 -6.263 -9.166 1.037 500 HB THR 70 HB THR 70 -7.042 -7.351 3.310 501 HG1 THR 70 1HG THR 70 -5.438 -9.319 3.482 502 HG21 THR 70 3HG2 THR 70 -8.923 -8.054 1.966 503 HG22 THR 70 1HG2 THR 70 -8.932 -9.010 3.448 504 HG23 THR 70 2HG2 THR 70 -8.344 -9.719 1.944 505 H MET 71 H MET 71 -6.521 -5.789 2.180 506 HA MET 71 HA MET 71 -8.395 -4.916 0.391 507 HB2 MET 71 2HB MET 71 -7.884 -2.726 1.006 508 HB3 MET 71 1HB MET 71 -7.305 -3.666 2.376 509 HG2 MET 71 2HG MET 71 -5.014 -3.595 1.429 510 HG3 MET 71 1HG MET 71 -5.588 -2.608 0.094 511 HE1 MET 71 3HE MET 71 -5.328 -3.168 3.705 512 HE2 MET 71 1HE MET 71 -6.732 -2.160 4.079 513 HE3 MET 71 2HE MET 71 -5.111 -1.600 4.473 514 H MET 72 H MET 72 -5.165 -5.807 -0.356 515 HA MET 72 HA MET 72 -5.120 -4.224 -2.823 516 HB2 MET 72 2HB MET 72 -2.878 -4.812 -3.022 517 HB3 MET 72 1HB MET 72 -3.095 -4.734 -1.281 518 HG2 MET 72 2HG MET 72 -3.485 -7.214 -1.283 519 HG3 MET 72 1HG MET 72 -3.058 -7.240 -2.990 520 HE1 MET 72 3HE MET 72 0.275 -8.580 -2.287 521 HE2 MET 72 1HE MET 72 -1.034 -8.322 -3.446 522 HE3 MET 72 2HE MET 72 -1.352 -9.148 -1.923 523 H ALA 73 H ALA 73 -5.912 -7.410 -1.727 524 HA ALA 73 HA ALA 73 -5.864 -8.575 -4.409 525 HB1 ALA 73 1HB ALA 73 -6.482 -9.659 -1.663 526 HB2 ALA 73 2HB ALA 73 -5.067 -9.990 -2.666 527 HB3 ALA 73 3HB ALA 73 -6.647 -10.618 -3.138 528 H ARG 74 H ARG 74 -7.951 -6.556 -3.005 529 HA ARG 74 HA ARG 74 -10.451 -7.810 -3.052 530 HB2 ARG 74 2HB ARG 74 -9.547 -4.968 -3.478 531 HB3 ARG 74 1HB ARG 74 -11.255 -5.403 -3.575 532 HG2 ARG 74 2HG ARG 74 -11.268 -6.209 -1.319 533 HG3 ARG 74 1HG ARG 74 -9.511 -6.133 -1.213 534 HD2 ARG 74 2HD ARG 74 -9.571 -3.711 -1.388 535 HD3 ARG 74 1HD ARG 74 -11.314 -3.736 -1.618 536 HE ARG 74 HE ARG 74 -9.907 -3.944 0.885 537 HH11 ARG 74 1HH2 ARG 74 -12.756 -4.807 -0.883 538 HH12 ARG 74 2HH2 ARG 74 -13.736 -5.013 0.530 539 HH21 ARG 74 1HH1 ARG 74 -11.189 -4.213 2.743 540 HH22 ARG 74 2HH1 ARG 74 -12.849 -4.677 2.581 541 H LYS 75 H LYS 75 -9.058 -5.746 -5.643 542 HA LYS 75 HA LYS 75 -10.467 -7.447 -7.619 543 HB2 LYS 75 2HB LYS 75 -11.448 -5.022 -7.021 544 HB3 LYS 75 1HB LYS 75 -10.210 -4.500 -8.159 545 HG2 LYS 75 2HG LYS 75 -11.136 -5.983 -9.886 546 HG3 LYS 75 1HG LYS 75 -12.319 -6.609 -8.739 547 HD2 LYS 75 2HD LYS 75 -13.329 -4.393 -8.520 548 HD3 LYS 75 1HD LYS 75 -12.119 -3.714 -9.612 549 HE2 LYS 75 2HE LYS 75 -14.012 -4.114 -10.990 550 HE3 LYS 75 1HE LYS 75 -12.928 -5.465 -11.321 551 HZ1 LYS 75 3HZ LYS 75 -14.163 -6.772 -9.677 552 HZ2 LYS 75 1HZ LYS 75 -15.151 -6.265 -10.958 553 HZ3 LYS 75 2HZ LYS 75 -15.238 -5.474 -9.457 554 H MET 76 H MET 76 -9.470 -5.438 -9.657 555 HA MET 76 HA MET 76 -7.669 -5.137 -11.026 556 HB2 MET 76 2HB MET 76 -6.654 -4.583 -8.626 557 HB3 MET 76 1HB MET 76 -5.746 -6.063 -8.912 558 HG2 MET 76 2HG MET 76 -5.787 -3.562 -10.621 559 HG3 MET 76 1HG MET 76 -4.413 -4.255 -9.759 560 HE1 MET 76 3HE MET 76 -4.119 -3.378 -12.549 561 HE2 MET 76 1HE MET 76 -5.753 -3.722 -13.131 562 HE3 MET 76 2HE MET 76 -4.366 -4.518 -13.869 563 H LYS 77 H LYS 77 -8.784 -7.125 -11.906 564 HA LYS 77 HA LYS 77 -8.749 -9.291 -12.708 565 HB2 LYS 77 2HB LYS 77 -5.931 -8.274 -13.020 566 HB3 LYS 77 1HB LYS 77 -6.365 -9.886 -13.585 567 HG2 LYS 77 2HG LYS 77 -8.071 -7.533 -14.391 568 HG3 LYS 77 1HG LYS 77 -6.545 -7.817 -15.225 569 HD2 LYS 77 2HD LYS 77 -7.235 -10.018 -15.920 570 HD3 LYS 77 1HD LYS 77 -8.665 -9.963 -14.896 571 HE2 LYS 77 2HE LYS 77 -9.431 -9.481 -17.104 572 HE3 LYS 77 1HE LYS 77 -9.404 -7.933 -16.265 573 HZ1 LYS 77 3HZ LYS 77 -8.297 -8.264 -18.614 574 HZ2 LYS 77 1HZ LYS 77 -6.980 -8.760 -17.669 575 HZ3 LYS 77 2HZ LYS 77 -7.636 -7.207 -17.460 576 H1 GLY 45 1HT GLY 45 -16.666 8.996 -4.014 577 H2 GLY 45 2HT GLY 45 -17.358 8.882 -2.467 578 H3 GLY 45 3HT GLY 45 -18.326 9.278 -3.807 579 HA2 GLY 45 2HA GLY 45 -18.477 6.910 -2.960 580 HA3 GLY 45 1HA GLY 45 -18.217 7.132 -4.691 581 H THR 46 H THR 46 -16.640 5.905 -5.534 582 HA THR 46 HA THR 46 -14.748 4.556 -3.803 583 HB THR 46 HB THR 46 -14.021 3.405 -5.819 584 HG1 THR 46 1HG THR 46 -15.736 5.220 -7.161 585 HG21 THR 46 3HG2 THR 46 -16.298 2.578 -6.619 586 HG22 THR 46 1HG2 THR 46 -17.009 3.774 -5.537 587 HG23 THR 46 2HG2 THR 46 -16.012 2.475 -4.882 588 H GLY 47 H GLY 47 -12.409 4.501 -4.437 589 HA2 GLY 47 2HA GLY 47 -10.906 6.150 -5.916 590 HA3 GLY 47 1HA GLY 47 -11.404 7.229 -4.615 591 H ALA 48 H ALA 48 -11.514 4.865 -2.767 592 HA ALA 48 HA ALA 48 -8.979 5.154 -1.574 593 HB1 ALA 48 1HB ALA 48 -9.773 3.683 0.070 594 HB2 ALA 48 2HB ALA 48 -10.780 2.794 -1.075 595 HB3 ALA 48 3HB ALA 48 -11.247 4.415 -0.564 596 H ALA 49 H ALA 49 -10.348 2.447 -3.469 597 HA ALA 49 HA ALA 49 -8.072 0.773 -3.257 598 HB1 ALA 49 1HB ALA 49 -10.273 0.876 -5.328 599 HB2 ALA 49 2HB ALA 49 -10.203 -0.161 -3.903 600 HB3 ALA 49 3HB ALA 49 -9.066 -0.406 -5.230 601 H LEU 50 H LEU 50 -9.029 3.209 -5.634 602 HA LEU 50 HA LEU 50 -7.001 2.707 -7.526 603 HB2 LEU 50 2HB LEU 50 -8.948 4.077 -8.056 604 HB3 LEU 50 1HB LEU 50 -8.470 5.267 -6.850 605 HG LEU 50 HG LEU 50 -6.441 5.792 -8.115 606 HD11 LEU 50 1HD1 LEU 50 -6.380 4.733 -10.519 607 HD12 LEU 50 2HD1 LEU 50 -7.358 3.457 -9.792 608 HD13 LEU 50 3HD1 LEU 50 -5.750 3.807 -9.159 609 HD21 LEU 50 3HD2 LEU 50 -7.529 6.716 -10.162 610 HD22 LEU 50 1HD2 LEU 50 -8.465 7.022 -8.700 611 HD23 LEU 50 2HD2 LEU 50 -8.957 5.743 -9.809 612 H SER 51 H SER 51 -7.148 4.866 -4.723 613 HA SER 51 HA SER 51 -4.660 6.136 -5.080 614 HB2 SER 51 2HB SER 51 -4.844 6.676 -2.677 615 HB3 SER 51 1HB SER 51 -6.363 6.958 -3.521 616 HG SER 51 HG SER 51 -7.037 4.888 -2.784 617 H TRP 52 H TRP 52 -5.595 3.200 -3.340 618 HA TRP 52 HA TRP 52 -3.052 2.635 -2.231 619 HB2 TRP 52 2HB TRP 52 -5.614 1.170 -2.663 620 HB3 TRP 52 1HB TRP 52 -4.191 0.164 -2.416 621 HD1 TRP 52 HD TRP 52 -6.840 1.607 -0.488 622 HE1 TRP 52 1HE TRP 52 -6.171 1.946 1.977 623 HE3 TRP 52 3HE TRP 52 -1.769 1.179 -0.886 624 HZ2 TRP 52 2HZ TRP 52 -3.799 2.019 3.579 625 HZ3 TRP 52 3HZ TRP 52 -0.326 1.385 1.116 626 HH2 TRP 52 HH TRP 52 -1.321 1.810 3.346 627 H GLN 53 H GLN 53 -4.645 1.479 -5.205 628 HA GLN 53 HA GLN 53 -2.487 -0.160 -6.047 629 HB2 GLN 53 2HB GLN 53 -4.784 1.093 -7.559 630 HB3 GLN 53 1HB GLN 53 -3.637 -0.030 -8.289 631 HG2 GLN 53 2HG GLN 53 -5.248 -0.665 -5.805 632 HG3 GLN 53 1HG GLN 53 -5.751 -1.114 -7.433 633 HE21 GLN 53 1HE2 GLN 53 -4.621 -2.860 -8.485 634 HE22 GLN 53 2HE2 GLN 53 -3.475 -3.816 -7.676 635 H ALA 54 H ALA 54 -3.350 3.211 -6.754 636 HA ALA 54 HA ALA 54 -1.427 3.658 -8.766 637 HB1 ALA 54 1HB ALA 54 -1.731 6.056 -8.231 638 HB2 ALA 54 2HB ALA 54 -2.624 5.603 -6.781 639 HB3 ALA 54 3HB ALA 54 -3.271 5.208 -8.373 640 H ALA 55 H ALA 55 -1.244 4.016 -5.237 641 HA ALA 55 HA ALA 55 1.346 5.172 -5.172 642 HB1 ALA 55 1HB ALA 55 -0.245 3.618 -3.128 643 HB2 ALA 55 2HB ALA 55 -0.024 5.365 -3.226 644 HB3 ALA 55 3HB ALA 55 1.331 4.328 -2.780 645 H ILE 56 H ILE 56 0.201 1.824 -5.017 646 HA ILE 56 HA ILE 56 2.702 0.612 -4.489 647 HB ILE 56 HB ILE 56 0.191 -0.428 -5.816 648 HG12 ILE 56 2HG1 ILE 56 1.348 -1.009 -3.078 649 HG13 ILE 56 1HG1 ILE 56 0.185 0.283 -3.367 650 HG21 ILE 56 1HG2 ILE 56 1.930 -1.855 -6.608 651 HG22 ILE 56 2HG2 ILE 56 1.225 -2.693 -5.225 652 HG23 ILE 56 3HG2 ILE 56 2.756 -1.835 -5.050 653 HD11 ILE 56 3HD1 ILE 56 -1.356 -1.442 -4.382 654 HD12 ILE 56 1HD1 ILE 56 -1.053 -1.670 -2.660 655 HD13 ILE 56 2HD1 ILE 56 -0.224 -2.681 -3.843 656 H ASP 57 H ASP 57 0.991 1.324 -7.514 657 HA ASP 57 HA ASP 57 2.835 0.101 -9.264 658 HB2 ASP 57 2HB ASP 57 0.771 2.274 -9.561 659 HB3 ASP 57 1HB ASP 57 1.819 1.852 -10.913 660 H ALA 58 H ALA 58 2.584 3.450 -8.085 661 HA ALA 58 HA ALA 58 4.837 4.400 -9.549 662 HB1 ALA 58 1HB ALA 58 3.291 5.447 -7.184 663 HB2 ALA 58 2HB ALA 58 3.318 6.057 -8.838 664 HB3 ALA 58 3HB ALA 58 4.720 6.282 -7.794 665 H ALA 59 H ALA 59 4.397 3.064 -6.308 666 HA ALA 59 HA ALA 59 6.943 3.619 -5.259 667 HB1 ALA 59 1HB ALA 59 5.122 2.809 -3.855 668 HB2 ALA 59 2HB ALA 59 6.496 1.708 -3.736 669 HB3 ALA 59 3HB ALA 59 5.102 1.276 -4.728 670 H ARG 60 H ARG 60 5.736 0.765 -6.994 671 HA ARG 60 HA ARG 60 8.198 -0.630 -7.008 672 HB2 ARG 60 2HB ARG 60 5.743 -0.825 -8.750 673 HB3 ARG 60 1HB ARG 60 7.128 -1.902 -8.925 674 HG2 ARG 60 2HG ARG 60 6.889 -2.500 -6.491 675 HG3 ARG 60 1HG ARG 60 5.407 -1.541 -6.455 676 HD2 ARG 60 2HD ARG 60 5.885 -3.825 -8.375 677 HD3 ARG 60 1HD ARG 60 5.026 -3.994 -6.846 678 HE ARG 60 HE ARG 60 3.776 -1.905 -8.146 679 HH11 ARG 60 1HH2 ARG 60 4.520 -5.220 -8.864 680 HH12 ARG 60 2HH2 ARG 60 3.088 -5.470 -9.807 681 HH21 ARG 60 1HH1 ARG 60 1.908 -2.237 -9.377 682 HH22 ARG 60 2HH1 ARG 60 1.610 -3.784 -10.095 683 H GLN 61 H GLN 61 6.745 1.715 -9.208 684 HA GLN 61 HA GLN 61 8.456 1.424 -11.397 685 HB2 GLN 61 2HB GLN 61 6.419 2.878 -11.327 686 HB3 GLN 61 1HB GLN 61 7.312 4.020 -10.325 687 HG2 GLN 61 2HG GLN 61 7.419 4.765 -12.632 688 HG3 GLN 61 1HG GLN 61 9.019 4.206 -12.150 689 HE21 GLN 61 1HE2 GLN 61 9.786 3.436 -14.176 690 HE22 GLN 61 2HE2 GLN 61 9.028 2.192 -15.048 691 H ALA 62 H ALA 62 8.796 3.406 -8.467 692 HA ALA 62 HA ALA 62 11.316 4.528 -9.160 693 HB1 ALA 62 1HB ALA 62 11.458 4.938 -6.646 694 HB2 ALA 62 2HB ALA 62 9.878 4.165 -6.532 695 HB3 ALA 62 3HB ALA 62 10.070 5.644 -7.473 696 H LYS 63 H LYS 63 10.325 1.609 -7.440 697 HA LYS 63 HA LYS 63 12.835 0.865 -6.428 698 HB2 LYS 63 2HB LYS 63 10.764 -0.203 -5.685 699 HB3 LYS 63 1HB LYS 63 10.505 -0.864 -7.294 700 HG2 LYS 63 2HG LYS 63 11.431 -2.575 -5.800 701 HG3 LYS 63 1HG LYS 63 12.584 -2.198 -7.077 702 HD2 LYS 63 2HD LYS 63 13.962 -0.930 -5.620 703 HD3 LYS 63 1HD LYS 63 12.693 -0.790 -4.402 704 HE2 LYS 63 2HE LYS 63 12.869 -3.171 -3.911 705 HE3 LYS 63 1HE LYS 63 14.044 -3.379 -5.210 706 HZ1 LYS 63 3HZ LYS 63 15.610 -2.063 -4.074 707 HZ2 LYS 63 1HZ LYS 63 14.987 -3.133 -2.914 708 HZ3 LYS 63 2HZ LYS 63 14.462 -1.518 -2.946 709 H LEU 64 H LEU 64 11.224 0.018 -9.479 710 HA LEU 64 HA LEU 64 13.253 -1.667 -10.474 711 HB2 LEU 64 2HB LEU 64 11.145 -0.012 -11.875 712 HB3 LEU 64 1HB LEU 64 12.173 -1.179 -12.702 713 HG LEU 64 HG LEU 64 10.465 -1.903 -10.304 714 HD11 LEU 64 1HD1 LEU 64 8.931 -2.929 -12.045 715 HD12 LEU 64 2HD1 LEU 64 9.814 -2.003 -13.259 716 HD13 LEU 64 3HD1 LEU 64 8.920 -1.166 -11.989 717 HD21 LEU 64 3HD2 LEU 64 10.710 -4.211 -11.541 718 HD22 LEU 64 1HD2 LEU 64 12.064 -3.614 -10.588 719 HD23 LEU 64 2HD2 LEU 64 12.081 -3.447 -12.341 720 H MET 65 H MET 65 12.683 1.814 -10.871 721 HA MET 65 HA MET 65 14.844 2.243 -12.672 722 HB2 MET 65 2HB MET 65 13.373 4.132 -10.823 723 HB3 MET 65 1HB MET 65 14.543 4.647 -12.038 724 HG2 MET 65 2HG MET 65 12.054 3.025 -12.645 725 HG3 MET 65 1HG MET 65 12.165 4.772 -12.839 726 HE1 MET 65 3HE MET 65 13.767 5.948 -14.037 727 HE2 MET 65 1HE MET 65 14.366 5.508 -15.641 728 HE3 MET 65 2HE MET 65 15.310 5.118 -14.206 729 H GLY 66 H GLY 66 14.574 2.337 -9.149 730 HA2 GLY 66 2HA GLY 66 16.272 2.035 -7.586 731 HA3 GLY 66 1HA GLY 66 17.446 2.041 -8.897 732 H SER 67 H SER 67 15.173 4.656 -8.755 733 HA SER 67 HA SER 67 17.288 6.575 -8.450 734 HB2 SER 67 2HB SER 67 15.381 8.224 -8.442 735 HB3 SER 67 1HB SER 67 15.437 7.173 -9.854 736 HG SER 67 HG SER 67 13.718 7.116 -7.624 737 H ALA 68 H ALA 68 17.274 8.286 -6.804 738 HA ALA 68 HA ALA 68 17.422 8.959 -4.614 739 HB1 ALA 68 1HB ALA 68 14.914 7.325 -4.190 740 HB2 ALA 68 2HB ALA 68 14.917 8.934 -4.912 741 HB3 ALA 68 3HB ALA 68 15.466 8.712 -3.251 Start of MODEL 2 1 H1 ALA 1 1HT ALA 1 -5.496 -16.517 -9.440 2 H2 ALA 1 2HT ALA 1 -6.303 -15.590 -10.611 3 H3 ALA 1 3HT ALA 1 -4.846 -16.372 -10.998 4 HA ALA 1 HA ALA 1 -7.538 -17.407 -10.951 5 HB1 ALA 1 2HB ALA 1 -4.932 -18.379 -12.162 6 HB2 ALA 1 3HB ALA 1 -6.093 -17.320 -12.964 7 HB3 ALA 1 1HB ALA 1 -6.542 -18.977 -12.561 8 H ASP 2 H ASP 2 -7.385 -20.024 -10.945 9 HA ASP 2 HA ASP 2 -7.502 -21.777 -9.440 10 HB2 ASP 2 2HB ASP 2 -4.607 -20.918 -9.326 11 HB3 ASP 2 1HB ASP 2 -5.202 -22.390 -8.558 12 H GLN 3 H GLN 3 -4.964 -20.599 -7.436 13 HA GLN 3 HA GLN 3 -6.689 -19.257 -5.530 14 HB2 GLN 3 2HB GLN 3 -6.024 -22.116 -5.281 15 HB3 GLN 3 1HB GLN 3 -5.548 -21.196 -3.859 16 HG2 GLN 3 2HG GLN 3 -8.313 -21.001 -5.080 17 HG3 GLN 3 1HG GLN 3 -7.902 -22.140 -3.803 18 HE21 GLN 3 1HE2 GLN 3 -9.330 -19.207 -4.179 19 HE22 GLN 3 2HE2 GLN 3 -8.893 -18.481 -2.709 20 H LEU 4 H LEU 4 -5.345 -17.512 -5.531 21 HA LEU 4 HA LEU 4 -3.423 -16.256 -5.311 22 HB2 LEU 4 2HB LEU 4 -4.177 -17.290 -2.927 23 HB3 LEU 4 1HB LEU 4 -2.557 -17.967 -3.016 24 HG LEU 4 HG LEU 4 -1.899 -15.480 -3.680 25 HD11 LEU 4 1HD1 LEU 4 -4.355 -14.813 -3.719 26 HD12 LEU 4 2HD1 LEU 4 -3.295 -13.778 -2.763 27 HD13 LEU 4 3HD1 LEU 4 -4.326 -14.962 -1.960 28 HD21 LEU 4 3HD2 LEU 4 -1.107 -16.652 -1.661 29 HD22 LEU 4 1HD2 LEU 4 -2.625 -16.279 -0.844 30 HD23 LEU 4 2HD2 LEU 4 -1.521 -14.979 -1.288 31 H THR 5 H THR 5 -0.884 -16.699 -4.480 32 HA THR 5 HA THR 5 0.310 -19.060 -5.549 33 HB THR 5 HB THR 5 0.811 -16.574 -7.183 34 HG1 THR 5 1HG THR 5 -0.734 -18.624 -8.213 35 HG21 THR 5 3HG2 THR 5 1.308 -19.534 -7.598 36 HG22 THR 5 1HG2 THR 5 2.524 -18.283 -7.348 37 HG23 THR 5 2HG2 THR 5 1.577 -18.302 -8.831 38 H GLU 6 H GLU 6 2.747 -18.845 -5.590 39 HA GLU 6 HA GLU 6 3.726 -17.795 -3.207 40 HB2 GLU 6 2HB GLU 6 4.875 -19.522 -4.573 41 HB3 GLU 6 1HB GLU 6 5.256 -18.294 -5.779 42 HG2 GLU 6 2HG GLU 6 6.555 -17.038 -4.102 43 HG3 GLU 6 1HG GLU 6 6.161 -18.249 -2.883 44 H GLU 7 H GLU 7 4.090 -16.478 -6.467 45 HA GLU 7 HA GLU 7 5.496 -14.195 -5.966 46 HB2 GLU 7 2HB GLU 7 3.956 -13.137 -7.799 47 HB3 GLU 7 1HB GLU 7 4.966 -14.520 -8.219 48 HG2 GLU 7 2HG GLU 7 3.004 -16.023 -7.739 49 HG3 GLU 7 1HG GLU 7 2.024 -14.584 -7.496 50 H GLN 8 H GLN 8 1.900 -14.374 -5.822 51 HA GLN 8 HA GLN 8 1.259 -11.879 -5.054 52 HB2 GLN 8 2HB GLN 8 0.130 -14.522 -4.165 53 HB3 GLN 8 1HB GLN 8 -0.634 -12.995 -3.748 54 HG2 GLN 8 2HG GLN 8 0.019 -13.807 -6.595 55 HG3 GLN 8 1HG GLN 8 -1.544 -14.095 -5.837 56 HE21 GLN 8 1HE2 GLN 8 -0.469 -12.125 -8.065 57 HE22 GLN 8 2HE2 GLN 8 -1.180 -10.652 -7.610 58 H ILE 9 H ILE 9 1.867 -14.458 -2.610 59 HA ILE 9 HA ILE 9 1.673 -12.736 -0.422 60 HB ILE 9 HB ILE 9 3.151 -14.481 0.751 61 HG12 ILE 9 2HG1 ILE 9 2.792 -15.824 -1.937 62 HG13 ILE 9 1HG1 ILE 9 4.319 -15.199 -1.320 63 HG21 ILE 9 1HG2 ILE 9 0.717 -15.449 -0.776 64 HG22 ILE 9 2HG2 ILE 9 0.652 -14.509 0.717 65 HG23 ILE 9 3HG2 ILE 9 1.344 -16.132 0.721 66 HD11 ILE 9 3HD1 ILE 9 4.148 -16.728 0.611 67 HD12 ILE 9 1HD1 ILE 9 4.185 -17.588 -0.926 68 HD13 ILE 9 2HD1 ILE 9 2.661 -17.390 -0.070 69 H ALA 10 H ALA 10 4.601 -13.698 -2.230 70 HA ALA 10 HA ALA 10 6.433 -12.214 -0.713 71 HB1 ALA 10 1HB ALA 10 7.943 -12.535 -2.517 72 HB2 ALA 10 2HB ALA 10 6.632 -12.643 -3.693 73 HB3 ALA 10 3HB ALA 10 6.890 -13.950 -2.535 74 H GLU 11 H GLU 11 4.450 -11.343 -3.493 75 HA GLU 11 HA GLU 11 5.473 -8.801 -4.039 76 HB2 GLU 11 2HB GLU 11 3.814 -10.058 -5.431 77 HB3 GLU 11 1HB GLU 11 2.576 -9.646 -4.246 78 HG2 GLU 11 2HG GLU 11 2.992 -7.247 -4.627 79 HG3 GLU 11 1HG GLU 11 4.246 -7.651 -5.801 80 H PHE 12 H PHE 12 2.878 -9.759 -1.782 81 HA PHE 12 HA PHE 12 2.235 -7.141 -0.940 82 HB2 PHE 12 2HB PHE 12 0.590 -8.330 0.065 83 HB3 PHE 12 1HB PHE 12 1.423 -9.824 -0.337 84 HD1 PHE 12 2HD PHE 12 1.537 -7.010 2.139 85 HD2 PHE 12 1HD PHE 12 2.156 -11.195 1.419 86 HE1 PHE 12 2HE PHE 12 2.035 -7.351 4.541 87 HE2 PHE 12 1HE PHE 12 2.660 -11.538 3.815 88 HZ PHE 12 HZ PHE 12 2.594 -9.615 5.375 89 H LYS 13 H LYS 13 4.513 -9.540 0.331 90 HA LYS 13 HA LYS 13 5.345 -8.119 2.599 91 HB2 LYS 13 2HB LYS 13 5.879 -10.466 2.287 92 HB3 LYS 13 1HB LYS 13 6.857 -10.089 0.871 93 HG2 LYS 13 2HG LYS 13 7.590 -8.593 3.350 94 HG3 LYS 13 1HG LYS 13 7.873 -10.330 3.418 95 HD2 LYS 13 2HD LYS 13 8.799 -8.756 1.017 96 HD3 LYS 13 1HD LYS 13 9.756 -8.773 2.491 97 HE2 LYS 13 2HE LYS 13 9.799 -11.251 2.421 98 HE3 LYS 13 1HE LYS 13 8.882 -11.210 0.917 99 HZ1 LYS 13 3HZ LYS 13 11.673 -10.666 1.381 100 HZ2 LYS 13 1HZ LYS 13 10.909 -9.514 0.406 101 HZ3 LYS 13 2HZ LYS 13 10.882 -11.154 -0.040 102 H GLU 14 H GLU 14 6.562 -8.104 -0.730 103 HA GLU 14 HA GLU 14 8.752 -6.373 -0.313 104 HB2 GLU 14 2HB GLU 14 7.028 -6.864 -2.747 105 HB3 GLU 14 1HB GLU 14 8.498 -5.895 -2.773 106 HG2 GLU 14 2HG GLU 14 8.384 -8.783 -1.866 107 HG3 GLU 14 1HG GLU 14 8.868 -8.273 -3.481 108 H ALA 15 H ALA 15 5.474 -5.645 -1.573 109 HA ALA 15 HA ALA 15 5.758 -2.885 -1.729 110 HB1 ALA 15 1HB ALA 15 3.139 -4.098 -0.889 111 HB2 ALA 15 2HB ALA 15 3.815 -4.501 -2.467 112 HB3 ALA 15 3HB ALA 15 3.453 -2.824 -2.068 113 H PHE 16 H PHE 16 4.752 -4.911 0.991 114 HA PHE 16 HA PHE 16 4.065 -2.878 2.787 115 HB2 PHE 16 2HB PHE 16 3.472 -4.862 3.737 116 HB3 PHE 16 1HB PHE 16 4.743 -5.743 2.907 117 HD1 PHE 16 1HD PHE 16 4.330 -3.198 5.652 118 HD2 PHE 16 2HD PHE 16 6.513 -6.587 4.166 119 HE1 PHE 16 1HE PHE 16 5.731 -3.203 7.701 120 HE2 PHE 16 2HE PHE 16 7.904 -6.593 6.212 121 HZ PHE 16 HZ PHE 16 7.519 -4.897 7.971 122 H SER 17 H SER 17 7.175 -4.511 2.319 123 HA SER 17 HA SER 17 8.636 -3.144 4.250 124 HB2 SER 17 2HB SER 17 9.708 -5.009 3.318 125 HB3 SER 17 1HB SER 17 9.394 -4.483 1.667 126 HG SER 17 HG SER 17 11.228 -3.481 1.743 127 H LEU 18 H LEU 18 7.769 -2.200 0.961 128 HA LEU 18 HA LEU 18 9.580 -0.002 0.801 129 HB2 LEU 18 2HB LEU 18 6.995 -0.581 -0.648 130 HB3 LEU 18 1HB LEU 18 8.071 0.756 -1.050 131 HG LEU 18 HG LEU 18 8.896 -2.164 -1.020 132 HD11 LEU 18 1HD1 LEU 18 8.498 -0.430 -3.464 133 HD12 LEU 18 2HD1 LEU 18 7.200 -1.424 -2.807 134 HD13 LEU 18 3HD1 LEU 18 8.683 -2.180 -3.383 135 HD21 LEU 18 3HD2 LEU 18 10.770 -0.979 -2.530 136 HD22 LEU 18 1HD2 LEU 18 10.914 -1.040 -0.776 137 HD23 LEU 18 2HD2 LEU 18 10.327 0.426 -1.561 138 H PHE 19 H PHE 19 6.184 -0.262 1.810 139 HA PHE 19 HA PHE 19 5.879 2.554 2.192 140 HB2 PHE 19 2HB PHE 19 4.284 0.259 3.305 141 HB3 PHE 19 1HB PHE 19 3.792 1.949 3.349 142 HD1 PHE 19 1HD PHE 19 4.062 3.169 0.910 143 HD2 PHE 19 2HD PHE 19 3.388 -1.019 1.588 144 HE1 PHE 19 1HE PHE 19 3.141 2.940 -1.379 145 HE2 PHE 19 2HE PHE 19 2.471 -1.243 -0.680 146 HZ PHE 19 HZ PHE 19 2.343 0.731 -2.180 147 H ASP 20 H ASP 20 6.239 -0.117 4.559 148 HA ASP 20 HA ASP 20 6.259 1.469 6.851 149 HB2 ASP 20 2HB ASP 20 6.227 -1.089 6.658 150 HB3 ASP 20 1HB ASP 20 7.981 -0.986 6.517 151 H LYS 21 H LYS 21 7.443 3.394 6.304 152 HA LYS 21 HA LYS 21 10.188 3.359 5.537 153 HB2 LYS 21 2HB LYS 21 8.935 5.605 7.119 154 HB3 LYS 21 1HB LYS 21 10.204 5.702 5.906 155 HG2 LYS 21 2HG LYS 21 7.357 4.892 5.318 156 HG3 LYS 21 1HG LYS 21 7.949 6.523 5.135 157 HD2 LYS 21 2HD LYS 21 9.528 4.399 3.742 158 HD3 LYS 21 1HD LYS 21 7.935 4.736 3.090 159 HE2 LYS 21 2HE LYS 21 9.614 6.146 1.999 160 HE3 LYS 21 1HE LYS 21 8.518 7.142 2.956 161 HZ1 LYS 21 3HZ LYS 21 10.134 7.151 4.744 162 HZ2 LYS 21 1HZ LYS 21 10.829 7.758 3.322 163 HZ3 LYS 21 2HZ LYS 21 11.186 6.177 3.834 164 H ASP 22 H ASP 22 8.706 4.027 8.729 165 HA ASP 22 HA ASP 22 11.153 4.140 10.100 166 HB2 ASP 22 2HB ASP 22 9.749 3.744 12.128 167 HB3 ASP 22 1HB ASP 22 9.115 5.016 11.082 168 H GLY 23 H GLY 23 9.417 1.508 8.768 169 HA2 GLY 23 2HA GLY 23 9.811 -0.747 8.744 170 HA3 GLY 23 1HA GLY 23 11.425 -0.372 9.334 171 H ASP 24 H ASP 24 8.278 0.193 10.939 172 HA ASP 24 HA ASP 24 9.306 -1.249 13.287 173 HB2 ASP 24 2HB ASP 24 7.300 -0.316 14.424 174 HB3 ASP 24 1HB ASP 24 8.357 0.918 13.744 175 H GLY 25 H GLY 25 7.665 -2.071 10.561 176 HA2 GLY 25 2HA GLY 25 6.880 -4.293 10.170 177 HA3 GLY 25 1HA GLY 25 6.442 -4.418 11.869 178 H THR 26 H THR 26 5.516 -1.421 10.746 179 HA THR 26 HA THR 26 2.885 -2.283 9.744 180 HB THR 26 HB THR 26 1.956 -0.421 11.353 181 HG1 THR 26 1HG THR 26 3.262 0.192 12.868 182 HG21 THR 26 3HG2 THR 26 2.778 -3.201 12.207 183 HG22 THR 26 1HG2 THR 26 1.210 -2.685 11.579 184 HG23 THR 26 2HG2 THR 26 1.732 -2.167 13.183 185 H ILE 27 H ILE 27 1.649 -0.431 8.866 186 HA ILE 27 HA ILE 27 3.458 1.658 7.765 187 HB ILE 27 HB ILE 27 0.964 0.444 6.599 188 HG12 ILE 27 2HG1 ILE 27 3.793 0.400 5.563 189 HG13 ILE 27 1HG1 ILE 27 3.105 -0.904 6.524 190 HG21 ILE 27 1HG2 ILE 27 1.594 1.866 4.629 191 HG22 ILE 27 2HG2 ILE 27 2.754 2.690 5.666 192 HG23 ILE 27 3HG2 ILE 27 1.028 2.784 6.021 193 HD11 ILE 27 3HD1 ILE 27 2.007 0.103 3.874 194 HD12 ILE 27 1HD1 ILE 27 1.307 -1.190 4.851 195 HD13 ILE 27 2HD1 ILE 27 2.896 -1.404 4.121 196 H THR 28 H THR 28 2.909 3.753 8.053 197 HA THR 28 HA THR 28 0.418 4.307 9.577 198 HB THR 28 HB THR 28 3.022 5.848 9.583 199 HG1 THR 28 1HG THR 28 3.490 4.171 10.790 200 HG21 THR 28 3HG2 THR 28 0.367 6.185 10.971 201 HG22 THR 28 1HG2 THR 28 1.334 7.393 10.126 202 HG23 THR 28 2HG2 THR 28 1.852 6.796 11.702 203 H THR 29 H THR 29 -0.412 6.532 9.288 204 HA THR 29 HA THR 29 -1.046 7.030 6.592 205 HB THR 29 HB THR 29 -2.166 9.015 7.405 206 HG1 THR 29 1HG THR 29 -0.969 8.601 9.923 207 HG21 THR 29 3HG2 THR 29 -3.316 6.970 7.965 208 HG22 THR 29 1HG2 THR 29 -3.412 8.023 9.375 209 HG23 THR 29 2HG2 THR 29 -2.261 6.692 9.349 210 H LYS 30 H LYS 30 1.211 8.609 8.799 211 HA LYS 30 HA LYS 30 2.069 10.612 6.977 212 HB2 LYS 30 2HB LYS 30 3.351 9.463 9.463 213 HB3 LYS 30 1HB LYS 30 3.980 10.856 8.581 214 HG2 LYS 30 2HG LYS 30 1.860 12.055 8.921 215 HG3 LYS 30 1HG LYS 30 1.191 10.658 9.766 216 HD2 LYS 30 2HD LYS 30 2.925 10.856 11.498 217 HD3 LYS 30 1HD LYS 30 3.630 12.231 10.647 218 HE2 LYS 30 2HE LYS 30 2.200 13.039 12.458 219 HE3 LYS 30 1HE LYS 30 1.478 13.458 10.906 220 HZ1 LYS 30 3HZ LYS 30 -0.145 11.865 11.126 221 HZ2 LYS 30 1HZ LYS 30 0.031 12.375 12.734 222 HZ3 LYS 30 2HZ LYS 30 0.754 10.926 12.219 223 H GLU 31 H GLU 31 3.294 7.393 7.813 224 HA GLU 31 HA GLU 31 5.688 7.438 6.365 225 HB2 GLU 31 2HB GLU 31 3.765 5.226 7.085 226 HB3 GLU 31 1HB GLU 31 5.243 4.902 6.190 227 HG2 GLU 31 2HG GLU 31 6.602 5.806 7.974 228 HG3 GLU 31 1HG GLU 31 5.174 6.364 8.841 229 H LEU 32 H LEU 32 2.529 6.142 5.332 230 HA LEU 32 HA LEU 32 3.247 5.729 2.634 231 HB2 LEU 32 2HB LEU 32 1.313 4.675 3.525 232 HB3 LEU 32 1HB LEU 32 0.583 6.201 3.981 233 HG LEU 32 HG LEU 32 0.417 6.781 1.545 234 HD11 LEU 32 1HD1 LEU 32 2.196 5.498 0.590 235 HD12 LEU 32 2HD1 LEU 32 0.703 4.782 -0.016 236 HD13 LEU 32 3HD1 LEU 32 1.583 4.003 1.300 237 HD21 LEU 32 3HD2 LEU 32 -1.362 5.105 1.043 238 HD22 LEU 32 1HD2 LEU 32 -1.487 5.772 2.672 239 HD23 LEU 32 2HD2 LEU 32 -0.815 4.160 2.427 240 H GLY 33 H GLY 33 1.583 8.454 4.203 241 HA2 GLY 33 2HA GLY 33 1.013 10.019 2.014 242 HA3 GLY 33 1HA GLY 33 1.474 10.683 3.581 243 H THR 34 H THR 34 4.087 9.794 3.781 244 HA THR 34 HA THR 34 5.484 11.735 2.294 245 HB THR 34 HB THR 34 6.533 9.259 3.690 246 HG1 THR 34 1HG THR 34 7.035 10.948 5.274 247 HG21 THR 34 3HG2 THR 34 8.234 10.040 2.197 248 HG22 THR 34 1HG2 THR 34 8.643 10.676 3.792 249 HG23 THR 34 2HG2 THR 34 7.892 11.726 2.591 250 H VAL 35 H VAL 35 5.206 8.184 1.851 251 HA VAL 35 HA VAL 35 6.860 8.004 -0.407 252 HB VAL 35 HB VAL 35 4.474 6.298 0.373 253 HG11 VAL 35 1HG1 VAL 35 5.851 4.543 -0.880 254 HG12 VAL 35 2HG1 VAL 35 6.799 5.887 -1.521 255 HG13 VAL 35 3HG1 VAL 35 5.075 5.773 -1.876 256 HG21 VAL 35 3HG2 VAL 35 5.996 4.952 1.625 257 HG22 VAL 35 1HG2 VAL 35 6.347 6.616 2.098 258 HG23 VAL 35 2HG2 VAL 35 7.401 5.783 0.955 259 H MET 36 H MET 36 3.447 8.709 -0.024 260 HA MET 36 HA MET 36 2.791 8.563 -2.817 261 HB2 MET 36 2HB MET 36 1.421 10.005 -0.541 262 HB3 MET 36 1HB MET 36 0.751 9.839 -2.165 263 HG2 MET 36 2HG MET 36 1.577 7.504 -0.424 264 HG3 MET 36 1HG MET 36 -0.076 8.089 -0.564 265 HE1 MET 36 3HE MET 36 -1.696 6.681 -2.259 266 HE2 MET 36 1HE MET 36 -1.333 7.246 -3.895 267 HE3 MET 36 2HE MET 36 -1.315 8.378 -2.546 268 H ARG 37 H ARG 37 3.547 11.288 -0.677 269 HA ARG 37 HA ARG 37 3.341 13.284 -2.703 270 HB2 ARG 37 2HB ARG 37 3.226 13.763 -0.271 271 HB3 ARG 37 1HB ARG 37 4.965 13.470 -0.179 272 HG2 ARG 37 2HG ARG 37 5.430 15.278 -1.696 273 HG3 ARG 37 1HG ARG 37 3.717 15.479 -2.069 274 HD2 ARG 37 2HD ARG 37 3.267 16.087 0.250 275 HD3 ARG 37 1HD ARG 37 4.965 15.872 0.645 276 HE ARG 37 HE ARG 37 3.788 18.121 -0.781 277 HH11 ARG 37 1HH2 ARG 37 6.623 16.314 0.030 278 HH12 ARG 37 2HH2 ARG 37 7.719 17.607 -0.325 279 HH21 ARG 37 1HH1 ARG 37 5.224 19.824 -1.261 280 HH22 ARG 37 2HH1 ARG 37 6.929 19.595 -1.053 281 H SER 38 H SER 38 6.154 11.668 -1.252 282 HA SER 38 HA SER 38 8.172 12.902 -2.687 283 HB2 SER 38 2HB SER 38 7.941 10.079 -1.646 284 HB3 SER 38 1HB SER 38 9.414 10.693 -2.390 285 HG SER 38 HG SER 38 9.538 12.247 -0.797 286 H LEU 39 H LEU 39 5.795 10.637 -3.797 287 HA LEU 39 HA LEU 39 7.286 10.041 -6.254 288 HB2 LEU 39 2HB LEU 39 4.643 9.070 -5.168 289 HB3 LEU 39 1HB LEU 39 5.300 8.578 -6.726 290 HG LEU 39 HG LEU 39 6.855 8.290 -4.143 291 HD11 LEU 39 1HD1 LEU 39 5.229 6.126 -5.508 292 HD12 LEU 39 2HD1 LEU 39 4.660 7.027 -4.099 293 HD13 LEU 39 3HD1 LEU 39 6.094 6.009 -3.977 294 HD21 LEU 39 3HD2 LEU 39 7.884 6.387 -5.632 295 HD22 LEU 39 1HD2 LEU 39 8.369 8.052 -5.925 296 HD23 LEU 39 2HD2 LEU 39 7.179 7.285 -6.972 297 H GLY 40 H GLY 40 4.938 12.243 -5.088 298 HA2 GLY 40 2HA GLY 40 4.309 14.178 -6.319 299 HA3 GLY 40 1HA GLY 40 4.567 13.293 -7.818 300 H GLN 41 H GLN 41 2.916 11.336 -5.665 301 HA GLN 41 HA GLN 41 0.492 11.520 -7.197 302 HB2 GLN 41 2HB GLN 41 1.282 9.918 -4.758 303 HB3 GLN 41 1HB GLN 41 -0.308 9.818 -5.501 304 HG2 GLN 41 2HG GLN 41 0.685 9.164 -7.638 305 HG3 GLN 41 1HG GLN 41 2.301 9.339 -6.960 306 HE21 GLN 41 1HE2 GLN 41 -0.758 7.601 -6.082 307 HE22 GLN 41 2HE2 GLN 41 0.031 6.161 -5.653 308 H ASN 42 H ASN 42 -1.594 12.064 -6.419 309 HA ASN 42 HA ASN 42 -2.081 14.444 -5.334 310 HB2 ASN 42 2HB ASN 42 -3.754 12.703 -6.122 311 HB3 ASN 42 1HB ASN 42 -3.754 12.119 -4.464 312 HD21 ASN 42 1HD2 ASN 42 -4.096 15.254 -6.224 313 HD22 ASN 42 2HD2 ASN 42 -5.287 15.864 -5.180 314 HA PRO 43 HA PRO 43 -0.036 13.822 -1.230 315 HB2 PRO 43 2HB PRO 43 -0.690 16.741 -1.091 316 HB3 PRO 43 1HB PRO 43 0.843 15.912 -0.758 317 HG2 PRO 43 2HG PRO 43 0.486 17.325 -2.992 318 HG3 PRO 43 1HG PRO 43 1.435 15.827 -2.984 319 HD2 PRO 43 2HD PRO 43 -1.350 16.285 -4.011 320 HD3 PRO 43 1HD PRO 43 -0.071 15.221 -4.635 321 H THR 44 H THR 44 -1.103 15.930 0.627 322 HA THR 44 HA THR 44 -2.824 16.271 2.104 323 HB THR 44 HB THR 44 -4.728 14.727 0.357 324 HG1 THR 44 1HG THR 44 -3.759 17.351 -0.110 325 HG21 THR 44 3HG2 THR 44 -6.276 16.481 1.108 326 HG22 THR 44 1HG2 THR 44 -4.960 17.295 1.951 327 HG23 THR 44 2HG2 THR 44 -5.504 15.707 2.493 328 H GLU 45 H GLU 45 -2.595 15.189 3.907 329 HA GLU 45 HA GLU 45 -2.469 12.283 3.960 330 HB2 GLU 45 2HB GLU 45 -1.990 12.561 6.340 331 HB3 GLU 45 1HB GLU 45 -0.965 13.622 5.373 332 HG2 GLU 45 2HG GLU 45 -2.771 15.422 5.753 333 HG3 GLU 45 1HG GLU 45 -3.396 14.353 7.009 334 H ALA 46 H ALA 46 -4.556 14.816 5.275 335 HA ALA 46 HA ALA 46 -6.390 13.502 6.763 336 HB1 ALA 46 1HB ALA 46 -6.618 15.880 6.244 337 HB2 ALA 46 2HB ALA 46 -8.135 15.041 5.913 338 HB3 ALA 46 3HB ALA 46 -7.067 15.493 4.583 339 H GLU 47 H GLU 47 -6.260 13.493 3.235 340 HA GLU 47 HA GLU 47 -8.528 11.932 2.702 341 HB2 GLU 47 2HB GLU 47 -7.190 13.165 1.002 342 HB3 GLU 47 1HB GLU 47 -5.883 12.004 1.218 343 HG2 GLU 47 2HG GLU 47 -7.140 11.336 -0.724 344 HG3 GLU 47 1HG GLU 47 -7.504 10.181 0.555 345 H LEU 48 H LEU 48 -5.122 10.895 2.839 346 HA LEU 48 HA LEU 48 -5.638 8.118 2.785 347 HB2 LEU 48 2HB LEU 48 -3.313 9.782 3.729 348 HB3 LEU 48 1HB LEU 48 -3.299 8.038 3.976 349 HG LEU 48 HG LEU 48 -2.172 8.759 1.858 350 HD11 LEU 48 1HD1 LEU 48 -4.565 7.234 0.913 351 HD12 LEU 48 2HD1 LEU 48 -3.653 6.535 2.248 352 HD13 LEU 48 3HD1 LEU 48 -2.849 6.886 0.723 353 HD21 LEU 48 3HD2 LEU 48 -4.970 9.459 0.915 354 HD22 LEU 48 1HD2 LEU 48 -3.448 9.709 0.057 355 HD23 LEU 48 2HD2 LEU 48 -3.819 10.666 1.490 356 H GLN 49 H GLN 49 -4.935 10.242 5.559 357 HA GLN 49 HA GLN 49 -5.114 8.497 7.656 358 HB2 GLN 49 2HB GLN 49 -6.165 11.319 7.416 359 HB3 GLN 49 1HB GLN 49 -6.070 10.453 8.943 360 HG2 GLN 49 2HG GLN 49 -3.659 10.227 8.721 361 HG3 GLN 49 1HG GLN 49 -3.700 10.926 7.105 362 HE21 GLN 49 1HE2 GLN 49 -2.037 12.352 8.551 363 HE22 GLN 49 2HE2 GLN 49 -2.734 13.749 9.217 364 H ASP 50 H ASP 50 -7.673 9.691 5.616 365 HA ASP 50 HA ASP 50 -9.812 8.753 7.333 366 HB2 ASP 50 2HB ASP 50 -9.955 10.737 5.763 367 HB3 ASP 50 1HB ASP 50 -10.012 9.576 4.437 368 H MET 51 H MET 51 -8.232 7.684 4.329 369 HA MET 51 HA MET 51 -9.967 5.473 3.870 370 HB2 MET 51 2HB MET 51 -7.127 5.978 2.953 371 HB3 MET 51 1HB MET 51 -8.170 4.694 2.338 372 HG2 MET 51 2HG MET 51 -8.869 7.642 2.247 373 HG3 MET 51 1HG MET 51 -8.168 6.750 0.898 374 HE1 MET 51 3HE MET 51 -11.290 8.212 0.619 375 HE2 MET 51 1HE MET 51 -11.473 6.990 -0.645 376 HE3 MET 51 2HE MET 51 -9.901 7.725 -0.348 377 H ILE 52 H ILE 52 -6.806 5.777 5.467 378 HA ILE 52 HA ILE 52 -6.494 3.016 6.032 379 HB ILE 52 HB ILE 52 -5.280 5.528 7.176 380 HG12 ILE 52 2HG1 ILE 52 -4.049 3.146 5.746 381 HG13 ILE 52 1HG1 ILE 52 -4.611 4.599 4.925 382 HG21 ILE 52 1HG2 ILE 52 -5.169 2.737 8.280 383 HG22 ILE 52 2HG2 ILE 52 -5.131 4.278 9.128 384 HG23 ILE 52 3HG2 ILE 52 -3.690 3.698 8.307 385 HD11 ILE 52 3HD1 ILE 52 -2.098 4.439 5.576 386 HD12 ILE 52 1HD1 ILE 52 -2.657 4.797 7.211 387 HD13 ILE 52 2HD1 ILE 52 -2.958 5.941 5.901 388 H ASN 53 H ASN 53 -7.875 5.707 7.873 389 HA ASN 53 HA ASN 53 -8.371 4.427 10.285 390 HB2 ASN 53 2HB ASN 53 -9.808 6.618 8.800 391 HB3 ASN 53 1HB ASN 53 -10.417 6.036 10.348 392 HD21 ASN 53 1HD2 ASN 53 -9.488 8.703 10.121 393 HD22 ASN 53 2HD2 ASN 53 -8.044 8.860 11.000 394 H GLU 54 H GLU 54 -10.052 4.122 7.220 395 HA GLU 54 HA GLU 54 -12.361 2.804 8.297 396 HB2 GLU 54 2HB GLU 54 -12.403 4.005 6.141 397 HB3 GLU 54 1HB GLU 54 -11.303 2.806 5.462 398 HG2 GLU 54 2HG GLU 54 -12.948 1.032 5.864 399 HG3 GLU 54 1HG GLU 54 -14.037 2.190 6.626 400 H VAL 55 H VAL 55 -9.562 1.588 6.415 401 HA VAL 55 HA VAL 55 -10.317 -1.145 6.707 402 HB VAL 55 HB VAL 55 -7.889 -1.536 5.932 403 HG11 VAL 55 1HG1 VAL 55 -9.790 -1.572 4.388 404 HG12 VAL 55 2HG1 VAL 55 -8.439 -0.722 3.639 405 HG13 VAL 55 3HG1 VAL 55 -9.790 0.190 4.312 406 HG21 VAL 55 3HG2 VAL 55 -8.034 1.434 5.410 407 HG22 VAL 55 1HG2 VAL 55 -6.651 0.368 5.172 408 HG23 VAL 55 2HG2 VAL 55 -7.188 0.771 6.807 409 H ASP 56 H ASP 56 -8.482 1.012 8.745 410 HA ASP 56 HA ASP 56 -6.854 -0.721 10.161 411 HB2 ASP 56 2HB ASP 56 -8.441 1.672 11.077 412 HB3 ASP 56 1HB ASP 56 -7.315 0.823 12.133 413 H ALA 57 H ALA 57 -7.298 -2.596 11.104 414 HA ALA 57 HA ALA 57 -9.930 -3.439 11.745 415 HB1 ALA 57 1HB ALA 57 -8.808 -5.427 12.682 416 HB2 ALA 57 2HB ALA 57 -7.251 -4.615 12.518 417 HB3 ALA 57 3HB ALA 57 -8.191 -5.017 11.081 418 H ASP 58 H ASP 58 -7.191 -2.358 13.768 419 HA ASP 58 HA ASP 58 -8.920 -2.510 16.151 420 HB2 ASP 58 2HB ASP 58 -6.804 -2.140 17.388 421 HB3 ASP 58 1HB ASP 58 -6.754 -3.567 16.356 422 H GLY 59 H GLY 59 -8.244 -0.296 13.814 423 HA2 GLY 59 2HA GLY 59 -8.616 1.984 13.689 424 HA3 GLY 59 1HA GLY 59 -9.261 1.897 15.327 425 H ASN 60 H ASN 60 -6.109 0.653 14.694 426 HA ASN 60 HA ASN 60 -4.874 2.370 16.602 427 HB2 ASN 60 2HB ASN 60 -4.091 0.114 16.367 428 HB3 ASN 60 1HB ASN 60 -3.810 0.332 14.643 429 HD21 ASN 60 1HD2 ASN 60 -2.766 1.823 17.765 430 HD22 ASN 60 2HD2 ASN 60 -1.164 2.072 17.265 431 H GLY 61 H GLY 61 -5.369 2.456 13.203 432 HA2 GLY 61 2HA GLY 61 -5.130 4.412 11.888 433 HA3 GLY 61 1HA GLY 61 -3.968 5.029 13.046 434 H THR 62 H THR 62 -3.553 1.747 12.168 435 HA THR 62 HA THR 62 -1.540 2.413 10.106 436 HB THR 62 HB THR 62 0.081 0.940 11.150 437 HG1 THR 62 1HG THR 62 -0.417 -0.271 12.837 438 HG21 THR 62 3HG2 THR 62 -0.195 3.386 11.873 439 HG22 THR 62 1HG2 THR 62 0.702 2.337 12.973 440 HG23 THR 62 2HG2 THR 62 -0.977 2.751 13.320 441 H ILE 63 H ILE 63 -0.918 0.599 8.775 442 HA ILE 63 HA ILE 63 -3.094 -1.401 8.525 443 HB ILE 63 HB ILE 63 -0.997 -0.677 6.474 444 HG12 ILE 63 2HG1 ILE 63 -2.267 1.332 6.884 445 HG13 ILE 63 1HG1 ILE 63 -2.882 0.617 5.396 446 HG21 ILE 63 1HG2 ILE 63 -2.226 -2.891 6.328 447 HG22 ILE 63 2HG2 ILE 63 -2.384 -1.839 4.929 448 HG23 ILE 63 3HG2 ILE 63 -3.701 -1.958 6.095 449 HD11 ILE 63 3HD1 ILE 63 -4.606 -0.575 6.941 450 HD12 ILE 63 1HD1 ILE 63 -4.841 1.138 6.592 451 HD13 ILE 63 2HD1 ILE 63 -4.140 0.641 8.129 452 H ASP 64 H ASP 64 -2.685 -3.356 9.227 453 HA ASP 64 HA ASP 64 0.002 -4.204 9.883 454 HB2 ASP 64 2HB ASP 64 -2.689 -5.544 10.132 455 HB3 ASP 64 1HB ASP 64 -1.179 -6.278 10.663 456 H PHE 65 H PHE 65 0.475 -6.603 9.370 457 HA PHE 65 HA PHE 65 1.198 -6.874 6.721 458 HB2 PHE 65 2HB PHE 65 0.984 -8.673 9.073 459 HB3 PHE 65 1HB PHE 65 1.054 -9.492 7.512 460 HD1 PHE 65 1HD PHE 65 2.626 -6.276 8.560 461 HD2 PHE 65 2HD PHE 65 3.253 -10.385 7.483 462 HE1 PHE 65 1HE PHE 65 5.070 -5.908 8.573 463 HE2 PHE 65 2HE PHE 65 5.707 -10.012 7.483 464 HZ PHE 65 HZ PHE 65 6.617 -7.771 8.031 465 HA PRO 66 HA PRO 66 -2.443 -9.935 5.784 466 HB2 PRO 66 2HB PRO 66 -4.598 -9.790 7.559 467 HB3 PRO 66 1HB PRO 66 -3.322 -11.021 7.604 468 HG2 PRO 66 2HG PRO 66 -3.580 -8.510 9.201 469 HG3 PRO 66 1HG PRO 66 -3.049 -10.125 9.710 470 HD2 PRO 66 2HD PRO 66 -1.263 -8.174 9.264 471 HD3 PRO 66 1HD PRO 66 -0.910 -9.859 8.805 472 H GLU 67 H GLU 67 -3.566 -7.018 7.492 473 HA GLU 67 HA GLU 67 -5.795 -6.381 6.027 474 HB2 GLU 67 2HB GLU 67 -3.667 -4.534 7.123 475 HB3 GLU 67 1HB GLU 67 -5.249 -3.996 6.557 476 HG2 GLU 67 2HG GLU 67 -4.841 -6.076 8.725 477 HG3 GLU 67 1HG GLU 67 -5.129 -4.367 9.044 478 H PHE 68 H PHE 68 -2.480 -5.274 5.292 479 HA PHE 68 HA PHE 68 -3.125 -4.012 2.864 480 HB2 PHE 68 2HB PHE 68 -1.007 -3.680 4.115 481 HB3 PHE 68 1HB PHE 68 -0.504 -5.304 3.636 482 HD1 PHE 68 2HD PHE 68 -0.265 -5.859 1.191 483 HD2 PHE 68 1HD PHE 68 -0.853 -1.846 2.604 484 HE1 PHE 68 2HE PHE 68 0.548 -4.970 -0.981 485 HE2 PHE 68 1HE PHE 68 -0.051 -0.963 0.432 486 HZ PHE 68 HZ PHE 68 0.648 -2.525 -1.360 487 H LEU 69 H LEU 69 -1.908 -7.266 3.539 488 HA LEU 69 HA LEU 69 -1.725 -8.165 0.891 489 HB2 LEU 69 2HB LEU 69 -0.684 -9.451 2.582 490 HB3 LEU 69 1HB LEU 69 -2.171 -9.586 3.515 491 HG LEU 69 HG LEU 69 -2.274 -10.688 0.734 492 HD11 LEU 69 1HD1 LEU 69 -1.248 -12.866 1.641 493 HD12 LEU 69 2HD1 LEU 69 -0.545 -11.868 2.914 494 HD13 LEU 69 3HD1 LEU 69 -0.130 -11.566 1.228 495 HD21 LEU 69 3HD2 LEU 69 -3.078 -12.078 3.293 496 HD22 LEU 69 1HD2 LEU 69 -3.778 -12.230 1.684 497 HD23 LEU 69 2HD2 LEU 69 -4.075 -10.781 2.642 498 H THR 70 H THR 70 -4.500 -7.721 2.971 499 HA THR 70 HA THR 70 -6.238 -9.333 1.280 500 HB THR 70 HB THR 70 -6.948 -7.555 3.607 501 HG1 THR 70 1HG THR 70 -6.515 -9.244 4.873 502 HG21 THR 70 3HG2 THR 70 -8.871 -9.196 3.728 503 HG22 THR 70 1HG2 THR 70 -8.343 -9.820 2.167 504 HG23 THR 70 2HG2 THR 70 -8.884 -8.147 2.309 505 H MET 71 H MET 71 -6.353 -5.946 2.422 506 HA MET 71 HA MET 71 -8.316 -5.048 0.697 507 HB2 MET 71 2HB MET 71 -7.881 -2.947 1.510 508 HB3 MET 71 1HB MET 71 -6.937 -3.860 2.678 509 HG2 MET 71 2HG MET 71 -4.883 -3.406 1.457 510 HG3 MET 71 1HG MET 71 -5.763 -2.641 0.134 511 HE1 MET 71 3HE MET 71 -4.622 -0.991 4.178 512 HE2 MET 71 1HE MET 71 -3.568 -1.734 2.968 513 HE3 MET 71 2HE MET 71 -4.830 -2.688 3.743 514 H MET 72 H MET 72 -5.129 -5.995 -0.132 515 HA MET 72 HA MET 72 -5.092 -4.361 -2.567 516 HB2 MET 72 2HB MET 72 -2.863 -4.996 -2.815 517 HB3 MET 72 1HB MET 72 -3.050 -4.901 -1.073 518 HG2 MET 72 2HG MET 72 -3.473 -7.367 -1.035 519 HG3 MET 72 1HG MET 72 -3.097 -7.427 -2.753 520 HE1 MET 72 3HE MET 72 -1.141 -6.342 -3.751 521 HE2 MET 72 1HE MET 72 -0.630 -8.021 -3.533 522 HE3 MET 72 2HE MET 72 0.483 -6.705 -3.173 523 H ALA 73 H ALA 73 -5.807 -7.598 -1.518 524 HA ALA 73 HA ALA 73 -5.729 -8.770 -4.152 525 HB1 ALA 73 1HB ALA 73 -6.685 -9.724 -1.457 526 HB2 ALA 73 2HB ALA 73 -5.262 -10.246 -2.361 527 HB3 ALA 73 3HB ALA 73 -6.876 -10.695 -2.918 528 H ARG 74 H ARG 74 -7.600 -6.427 -3.457 529 HA ARG 74 HA ARG 74 -10.177 -7.682 -4.212 530 HB2 ARG 74 2HB ARG 74 -9.520 -5.036 -2.909 531 HB3 ARG 74 1HB ARG 74 -11.134 -5.482 -3.465 532 HG2 ARG 74 2HG ARG 74 -11.111 -7.461 -2.008 533 HG3 ARG 74 1HG ARG 74 -9.479 -7.059 -1.471 534 HD2 ARG 74 2HD ARG 74 -10.296 -4.939 -0.539 535 HD3 ARG 74 1HD ARG 74 -11.922 -5.309 -1.094 536 HE ARG 74 HE ARG 74 -10.824 -7.361 0.615 537 HH11 ARG 74 1HH2 ARG 74 -12.424 -4.296 0.485 538 HH12 ARG 74 2HH2 ARG 74 -13.185 -4.472 2.031 539 HH21 ARG 74 1HH1 ARG 74 -11.822 -7.601 2.642 540 HH22 ARG 74 2HH1 ARG 74 -12.843 -6.343 3.255 541 H LYS 75 H LYS 75 -7.585 -6.385 -5.660 542 HA LYS 75 HA LYS 75 -8.469 -4.365 -7.371 543 HB2 LYS 75 2HB LYS 75 -6.106 -5.081 -7.179 544 HB3 LYS 75 1HB LYS 75 -6.508 -6.592 -7.992 545 HG2 LYS 75 2HG LYS 75 -7.206 -5.338 -10.002 546 HG3 LYS 75 1HG LYS 75 -6.828 -3.818 -9.189 547 HD2 LYS 75 2HD LYS 75 -4.470 -4.508 -8.988 548 HD3 LYS 75 1HD LYS 75 -4.847 -6.040 -9.780 549 HE2 LYS 75 2HE LYS 75 -3.928 -4.526 -11.443 550 HE3 LYS 75 1HE LYS 75 -5.646 -4.742 -11.773 551 HZ1 LYS 75 3HZ LYS 75 -6.064 -2.680 -10.523 552 HZ2 LYS 75 1HZ LYS 75 -5.105 -2.426 -11.899 553 HZ3 LYS 75 2HZ LYS 75 -4.389 -2.455 -10.358 554 H MET 76 H MET 76 -8.596 -7.894 -7.792 555 HA MET 76 HA MET 76 -10.019 -7.648 -10.324 556 HB2 MET 76 2HB MET 76 -9.181 -10.030 -8.656 557 HB3 MET 76 1HB MET 76 -10.053 -10.160 -10.184 558 HG2 MET 76 2HG MET 76 -8.241 -8.960 -11.336 559 HG3 MET 76 1HG MET 76 -7.365 -8.806 -9.812 560 HE1 MET 76 3HE MET 76 -5.082 -10.267 -10.422 561 HE2 MET 76 1HE MET 76 -5.847 -9.695 -11.912 562 HE3 MET 76 2HE MET 76 -5.266 -11.355 -11.797 563 H LYS 77 H LYS 77 -11.797 -9.730 -10.219 564 HA LYS 77 HA LYS 77 -14.016 -10.121 -9.756 565 HB2 LYS 77 2HB LYS 77 -12.724 -9.803 -7.054 566 HB3 LYS 77 1HB LYS 77 -14.466 -10.045 -7.161 567 HG2 LYS 77 2HG LYS 77 -13.421 -12.214 -6.895 568 HG3 LYS 77 1HG LYS 77 -14.032 -12.106 -8.544 569 HD2 LYS 77 2HD LYS 77 -11.806 -11.571 -9.379 570 HD3 LYS 77 1HD LYS 77 -11.167 -11.524 -7.736 571 HE2 LYS 77 2HE LYS 77 -11.708 -13.905 -7.448 572 HE3 LYS 77 1HE LYS 77 -12.395 -13.955 -9.071 573 HZ1 LYS 77 3HZ LYS 77 -10.113 -14.780 -9.018 574 HZ2 LYS 77 1HZ LYS 77 -9.572 -13.284 -8.426 575 HZ3 LYS 77 2HZ LYS 77 -10.244 -13.388 -9.982 576 H1 GLY 45 1HT GLY 45 -14.313 8.172 -10.114 577 H2 GLY 45 2HT GLY 45 -13.654 8.661 -8.625 578 H3 GLY 45 3HT GLY 45 -15.312 8.305 -8.751 579 HA2 GLY 45 2HA GLY 45 -14.864 5.997 -9.141 580 HA3 GLY 45 1HA GLY 45 -13.132 6.331 -9.167 581 H THR 46 H THR 46 -13.383 4.573 -7.405 582 HA THR 46 HA THR 46 -14.463 5.273 -4.868 583 HB THR 46 HB THR 46 -13.049 3.403 -4.013 584 HG1 THR 46 1HG THR 46 -11.501 3.975 -5.905 585 HG21 THR 46 3HG2 THR 46 -15.303 3.093 -5.166 586 HG22 THR 46 1HG2 THR 46 -14.253 1.678 -5.145 587 HG23 THR 46 2HG2 THR 46 -14.398 2.646 -6.611 588 H GLY 47 H GLY 47 -11.346 5.772 -6.399 589 HA2 GLY 47 2HA GLY 47 -9.721 7.355 -5.862 590 HA3 GLY 47 1HA GLY 47 -10.637 7.763 -4.413 591 H ALA 48 H ALA 48 -10.825 5.454 -3.065 592 HA ALA 48 HA ALA 48 -8.347 5.204 -1.779 593 HB1 ALA 48 1HB ALA 48 -9.407 3.624 -0.405 594 HB2 ALA 48 2HB ALA 48 -10.471 3.074 -1.699 595 HB3 ALA 48 3HB ALA 48 -10.730 4.652 -0.957 596 H ALA 49 H ALA 49 -9.963 2.910 -3.995 597 HA ALA 49 HA ALA 49 -7.917 0.969 -3.955 598 HB1 ALA 49 1HB ALA 49 -9.018 -0.024 -5.812 599 HB2 ALA 49 2HB ALA 49 -9.723 1.513 -6.309 600 HB3 ALA 49 3HB ALA 49 -10.295 0.715 -4.844 601 H LEU 50 H LEU 50 -8.499 3.718 -6.113 602 HA LEU 50 HA LEU 50 -6.400 3.178 -7.924 603 HB2 LEU 50 2HB LEU 50 -8.415 4.924 -7.951 604 HB3 LEU 50 1HB LEU 50 -7.196 6.003 -7.294 605 HG LEU 50 HG LEU 50 -7.167 6.242 -9.692 606 HD11 LEU 50 1HD1 LEU 50 -4.883 5.922 -10.123 607 HD12 LEU 50 2HD1 LEU 50 -4.805 4.460 -9.149 608 HD13 LEU 50 3HD1 LEU 50 -4.964 6.031 -8.365 609 HD21 LEU 50 3HD2 LEU 50 -7.344 4.536 -11.214 610 HD22 LEU 50 1HD2 LEU 50 -8.074 3.682 -9.862 611 HD23 LEU 50 2HD2 LEU 50 -6.378 3.418 -10.257 612 H SER 51 H SER 51 -6.559 5.074 -4.939 613 HA SER 51 HA SER 51 -4.015 6.227 -5.006 614 HB2 SER 51 2HB SER 51 -5.525 6.971 -3.337 615 HB3 SER 51 1HB SER 51 -5.799 5.337 -2.744 616 HG SER 51 HG SER 51 -3.865 7.122 -2.100 617 H TRP 52 H TRP 52 -5.088 3.116 -3.690 618 HA TRP 52 HA TRP 52 -2.498 2.317 -2.809 619 HB2 TRP 52 2HB TRP 52 -5.123 0.912 -3.239 620 HB3 TRP 52 1HB TRP 52 -3.674 -0.021 -2.871 621 HD1 TRP 52 HD TRP 52 -6.454 1.514 -1.171 622 HE1 TRP 52 1HE TRP 52 -5.924 1.974 1.311 623 HE3 TRP 52 3HE TRP 52 -1.367 1.026 -1.244 624 HZ2 TRP 52 2HZ TRP 52 -3.645 2.115 3.041 625 HZ3 TRP 52 3HZ TRP 52 -0.043 1.337 0.826 626 HH2 TRP 52 HH TRP 52 -1.164 1.879 2.964 627 H GLN 53 H GLN 53 -4.414 1.578 -5.715 628 HA GLN 53 HA GLN 53 -2.601 -0.234 -6.881 629 HB2 GLN 53 2HB GLN 53 -4.708 1.579 -8.053 630 HB3 GLN 53 1HB GLN 53 -3.776 0.452 -9.036 631 HG2 GLN 53 2HG GLN 53 -4.581 -1.433 -7.756 632 HG3 GLN 53 1HG GLN 53 -5.353 -0.370 -6.583 633 HE21 GLN 53 1HE2 GLN 53 -5.868 1.169 -9.464 634 HE22 GLN 53 2HE2 GLN 53 -7.359 0.481 -9.891 635 H ALA 54 H ALA 54 -2.955 3.294 -7.369 636 HA ALA 54 HA ALA 54 -0.860 3.511 -9.263 637 HB1 ALA 54 1HB ALA 54 -1.874 5.624 -7.352 638 HB2 ALA 54 2HB ALA 54 -2.604 5.239 -8.911 639 HB3 ALA 54 3HB ALA 54 -0.972 5.904 -8.842 640 H ALA 55 H ALA 55 -0.908 3.793 -5.729 641 HA ALA 55 HA ALA 55 1.752 4.703 -5.416 642 HB1 ALA 55 1HB ALA 55 0.257 2.966 -3.452 643 HB2 ALA 55 2HB ALA 55 -0.092 4.680 -3.668 644 HB3 ALA 55 3HB ALA 55 1.500 4.169 -3.110 645 H ILE 56 H ILE 56 0.363 1.431 -5.370 646 HA ILE 56 HA ILE 56 2.781 0.061 -4.830 647 HB ILE 56 HB ILE 56 0.215 -0.807 -6.178 648 HG12 ILE 56 2HG1 ILE 56 1.313 -1.479 -3.437 649 HG13 ILE 56 1HG1 ILE 56 0.232 -0.116 -3.729 650 HG21 ILE 56 1HG2 ILE 56 1.860 -2.341 -6.974 651 HG22 ILE 56 2HG2 ILE 56 1.098 -3.140 -5.599 652 HG23 ILE 56 3HG2 ILE 56 2.681 -2.385 -5.412 653 HD11 ILE 56 3HD1 ILE 56 -0.354 -3.042 -4.259 654 HD12 ILE 56 1HD1 ILE 56 -1.410 -1.719 -4.752 655 HD13 ILE 56 2HD1 ILE 56 -1.110 -2.017 -3.039 656 H ASP 57 H ASP 57 1.123 0.862 -7.863 657 HA ASP 57 HA ASP 57 2.938 -0.444 -9.592 658 HB2 ASP 57 2HB ASP 57 1.018 1.852 -9.996 659 HB3 ASP 57 1HB ASP 57 1.972 1.164 -11.309 660 H ALA 58 H ALA 58 2.755 2.924 -8.463 661 HA ALA 58 HA ALA 58 5.032 3.807 -9.929 662 HB1 ALA 58 1HB ALA 58 3.925 5.038 -7.401 663 HB2 ALA 58 2HB ALA 58 3.199 5.274 -8.991 664 HB3 ALA 58 3HB ALA 58 4.840 5.838 -8.679 665 H ALA 59 H ALA 59 4.550 2.595 -6.640 666 HA ALA 59 HA ALA 59 7.111 3.127 -5.612 667 HB1 ALA 59 1HB ALA 59 5.149 0.905 -4.999 668 HB2 ALA 59 2HB ALA 59 5.333 2.430 -4.135 669 HB3 ALA 59 3HB ALA 59 6.607 1.213 -4.056 670 H ARG 60 H ARG 60 5.824 0.226 -7.202 671 HA ARG 60 HA ARG 60 8.251 -1.231 -7.193 672 HB2 ARG 60 2HB ARG 60 6.051 -2.290 -7.502 673 HB3 ARG 60 1HB ARG 60 5.884 -1.478 -9.059 674 HG2 ARG 60 2HG ARG 60 7.798 -2.640 -9.952 675 HG3 ARG 60 1HG ARG 60 8.189 -3.314 -8.369 676 HD2 ARG 60 2HD ARG 60 6.143 -4.617 -8.367 677 HD3 ARG 60 1HD ARG 60 5.621 -3.870 -9.876 678 HE ARG 60 HE ARG 60 8.112 -5.004 -10.371 679 HH11 ARG 60 1HH2 ARG 60 4.974 -6.054 -9.341 680 HH12 ARG 60 2HH2 ARG 60 5.103 -7.605 -10.101 681 HH21 ARG 60 1HH1 ARG 60 8.279 -7.013 -11.360 682 HH22 ARG 60 2HH1 ARG 60 6.973 -8.147 -11.252 683 H GLN 61 H GLN 61 6.755 0.938 -9.562 684 HA GLN 61 HA GLN 61 8.450 0.536 -11.729 685 HB2 GLN 61 2HB GLN 61 6.440 2.000 -11.761 686 HB3 GLN 61 1HB GLN 61 7.308 3.180 -10.780 687 HG2 GLN 61 2HG GLN 61 9.010 3.417 -12.544 688 HG3 GLN 61 1HG GLN 61 8.171 2.216 -13.524 689 HE21 GLN 61 1HE2 GLN 61 8.273 4.373 -14.971 690 HE22 GLN 61 2HE2 GLN 61 6.890 5.354 -14.866 691 H ALA 62 H ALA 62 8.875 2.603 -8.880 692 HA ALA 62 HA ALA 62 11.380 3.692 -9.693 693 HB1 ALA 62 1HB ALA 62 11.584 4.177 -7.181 694 HB2 ALA 62 2HB ALA 62 9.978 3.465 -7.033 695 HB3 ALA 62 3HB ALA 62 10.217 4.903 -8.025 696 H LYS 63 H LYS 63 10.410 0.889 -7.775 697 HA LYS 63 HA LYS 63 12.969 0.156 -6.857 698 HB2 LYS 63 2HB LYS 63 10.910 -0.803 -5.929 699 HB3 LYS 63 1HB LYS 63 10.564 -1.582 -7.469 700 HG2 LYS 63 2HG LYS 63 11.546 -3.198 -5.918 701 HG3 LYS 63 1HG LYS 63 12.660 -2.911 -7.247 702 HD2 LYS 63 2HD LYS 63 14.100 -1.580 -5.915 703 HD3 LYS 63 1HD LYS 63 12.863 -1.333 -4.680 704 HE2 LYS 63 2HE LYS 63 14.080 -4.032 -5.331 705 HE3 LYS 63 1HE LYS 63 14.655 -2.983 -4.033 706 HZ1 LYS 63 3HZ LYS 63 12.299 -2.986 -3.207 707 HZ2 LYS 63 1HZ LYS 63 13.122 -4.465 -3.063 708 HZ3 LYS 63 2HZ LYS 63 11.987 -4.242 -4.308 709 H LEU 64 H LEU 64 11.146 -0.858 -9.736 710 HA LEU 64 HA LEU 64 13.086 -2.644 -10.724 711 HB2 LEU 64 2HB LEU 64 10.792 -2.666 -11.541 712 HB3 LEU 64 1HB LEU 64 10.976 -1.039 -12.189 713 HG LEU 64 HG LEU 64 12.671 -1.826 -13.775 714 HD11 LEU 64 1HD1 LEU 64 12.361 -4.390 -12.222 715 HD12 LEU 64 2HD1 LEU 64 13.838 -3.564 -12.721 716 HD13 LEU 64 3HD1 LEU 64 12.875 -4.436 -13.910 717 HD21 LEU 64 3HD2 LEU 64 11.221 -3.064 -15.222 718 HD22 LEU 64 1HD2 LEU 64 10.172 -2.032 -14.246 719 HD23 LEU 64 2HD2 LEU 64 10.333 -3.747 -13.861 720 H MET 65 H MET 65 12.501 0.788 -11.442 721 HA MET 65 HA MET 65 14.635 1.018 -13.312 722 HB2 MET 65 2HB MET 65 13.089 3.076 -11.732 723 HB3 MET 65 1HB MET 65 14.309 3.494 -12.935 724 HG2 MET 65 2HG MET 65 11.918 1.724 -13.516 725 HG3 MET 65 1HG MET 65 11.947 3.458 -13.830 726 HE1 MET 65 3HE MET 65 12.676 4.476 -15.886 727 HE2 MET 65 1HE MET 65 11.489 3.259 -16.378 728 HE3 MET 65 2HE MET 65 12.953 3.502 -17.328 729 H GLY 66 H GLY 66 14.381 1.535 -9.836 730 HA2 GLY 66 2HA GLY 66 16.116 1.402 -8.277 731 HA3 GLY 66 1HA GLY 66 17.280 1.396 -9.596 732 H SER 67 H SER 67 14.880 3.862 -9.734 733 HA SER 67 HA SER 67 16.756 5.968 -9.678 734 HB2 SER 67 2HB SER 67 14.683 6.407 -10.747 735 HB3 SER 67 1HB SER 67 13.757 5.888 -9.341 736 HG SER 67 HG SER 67 15.439 7.820 -8.604 737 H ALA 68 H ALA 68 14.587 4.678 -7.195 738 HA ALA 68 HA ALA 68 15.178 6.549 -5.169 739 HB1 ALA 68 1HB ALA 68 14.309 3.658 -4.960 740 HB2 ALA 68 2HB ALA 68 13.248 5.065 -5.032 741 HB3 ALA 68 3HB ALA 68 14.292 4.818 -3.632 Start of MODEL 3 1 H1 ALA 1 1HT ALA 1 -11.837 -15.661 -12.746 2 H2 ALA 1 2HT ALA 1 -11.308 -14.960 -11.293 3 H3 ALA 1 3HT ALA 1 -12.276 -16.356 -11.265 4 HA ALA 1 HA ALA 1 -10.532 -17.698 -11.460 5 HB1 ALA 1 2HB ALA 1 -10.563 -16.964 -13.926 6 HB2 ALA 1 3HB ALA 1 -9.023 -17.566 -13.313 7 HB3 ALA 1 1HB ALA 1 -9.283 -15.829 -13.495 8 H ASP 2 H ASP 2 -10.740 -15.238 -9.833 9 HA ASP 2 HA ASP 2 -7.988 -14.362 -9.467 10 HB2 ASP 2 2HB ASP 2 -9.863 -12.771 -9.430 11 HB3 ASP 2 1HB ASP 2 -10.540 -13.604 -8.032 12 H GLN 3 H GLN 3 -6.715 -15.754 -8.412 13 HA GLN 3 HA GLN 3 -7.587 -16.712 -5.755 14 HB2 GLN 3 2HB GLN 3 -6.254 -18.395 -7.895 15 HB3 GLN 3 1HB GLN 3 -6.513 -18.902 -6.226 16 HG2 GLN 3 2HG GLN 3 -8.715 -18.091 -8.152 17 HG3 GLN 3 1HG GLN 3 -8.283 -19.753 -7.760 18 HE21 GLN 3 1HE2 GLN 3 -10.664 -17.695 -7.079 19 HE22 GLN 3 2HE2 GLN 3 -10.956 -18.062 -5.447 20 H LEU 4 H LEU 4 -5.862 -17.108 -4.286 21 HA LEU 4 HA LEU 4 -3.698 -15.271 -4.551 22 HB2 LEU 4 2HB LEU 4 -4.940 -16.322 -2.416 23 HB3 LEU 4 1HB LEU 4 -3.594 -17.451 -2.494 24 HG LEU 4 HG LEU 4 -2.160 -15.210 -2.742 25 HD11 LEU 4 1HD1 LEU 4 -4.591 -14.294 -1.196 26 HD12 LEU 4 2HD1 LEU 4 -4.186 -13.770 -2.830 27 HD13 LEU 4 3HD1 LEU 4 -3.123 -13.362 -1.484 28 HD21 LEU 4 3HD2 LEU 4 -3.350 -16.327 -0.199 29 HD22 LEU 4 1HD2 LEU 4 -2.068 -15.117 -0.204 30 HD23 LEU 4 2HD2 LEU 4 -1.780 -16.705 -0.914 31 H THR 5 H THR 5 -1.379 -16.112 -3.930 32 HA THR 5 HA THR 5 -0.532 -18.659 -4.829 33 HB THR 5 HB THR 5 -1.127 -17.850 -7.045 34 HG1 THR 5 1HG THR 5 1.669 -17.623 -6.661 35 HG21 THR 5 3HG2 THR 5 0.087 -15.828 -7.938 36 HG22 THR 5 1HG2 THR 5 0.599 -15.486 -6.290 37 HG23 THR 5 2HG2 THR 5 -1.112 -15.466 -6.697 38 H GLU 6 H GLU 6 1.944 -18.628 -5.216 39 HA GLU 6 HA GLU 6 3.232 -17.648 -2.958 40 HB2 GLU 6 2HB GLU 6 4.071 -19.446 -4.509 41 HB3 GLU 6 1HB GLU 6 4.539 -18.180 -5.639 42 HG2 GLU 6 2HG GLU 6 6.020 -17.183 -3.957 43 HG3 GLU 6 1HG GLU 6 5.524 -18.397 -2.781 44 H GLU 7 H GLU 7 3.442 -16.364 -6.249 45 HA GLU 7 HA GLU 7 4.988 -14.143 -5.917 46 HB2 GLU 7 2HB GLU 7 2.538 -13.549 -7.475 47 HB3 GLU 7 1HB GLU 7 4.218 -13.574 -8.002 48 HG2 GLU 7 2HG GLU 7 2.407 -15.991 -7.640 49 HG3 GLU 7 1HG GLU 7 2.927 -15.299 -9.171 50 H GLN 8 H GLN 8 1.428 -14.116 -5.549 51 HA GLN 8 HA GLN 8 0.964 -11.572 -4.768 52 HB2 GLN 8 2HB GLN 8 -0.623 -13.645 -4.971 53 HB3 GLN 8 1HB GLN 8 -0.337 -13.824 -3.240 54 HG2 GLN 8 2HG GLN 8 -2.312 -12.460 -3.474 55 HG3 GLN 8 1HG GLN 8 -1.006 -11.403 -2.949 56 HE21 GLN 8 1HE2 GLN 8 -2.261 -9.598 -3.940 57 HE22 GLN 8 2HE2 GLN 8 -2.195 -9.359 -5.618 58 H ILE 9 H ILE 9 1.510 -14.168 -2.304 59 HA ILE 9 HA ILE 9 1.602 -12.462 -0.127 60 HB ILE 9 HB ILE 9 3.062 -14.275 0.942 61 HG12 ILE 9 2HG1 ILE 9 2.485 -15.616 -1.708 62 HG13 ILE 9 1HG1 ILE 9 4.081 -15.061 -1.180 63 HG21 ILE 9 1HG2 ILE 9 0.575 -14.196 1.066 64 HG22 ILE 9 2HG2 ILE 9 1.189 -15.847 1.028 65 HG23 ILE 9 3HG2 ILE 9 0.495 -15.131 -0.428 66 HD11 ILE 9 3HD1 ILE 9 3.909 -16.551 0.792 67 HD12 ILE 9 1HD1 ILE 9 3.877 -17.423 -0.736 68 HD13 ILE 9 2HD1 ILE 9 2.383 -17.169 0.156 69 H ALA 10 H ALA 10 4.342 -13.574 -2.094 70 HA ALA 10 HA ALA 10 6.344 -12.156 -0.717 71 HB1 ALA 10 1HB ALA 10 6.620 -13.984 -2.489 72 HB2 ALA 10 2HB ALA 10 7.740 -12.623 -2.583 73 HB3 ALA 10 3HB ALA 10 6.364 -12.709 -3.679 74 H GLU 11 H GLU 11 4.229 -11.272 -3.393 75 HA GLU 11 HA GLU 11 5.338 -8.825 -4.136 76 HB2 GLU 11 2HB GLU 11 3.511 -10.073 -5.328 77 HB3 GLU 11 1HB GLU 11 2.393 -9.499 -4.096 78 HG2 GLU 11 2HG GLU 11 2.928 -7.171 -4.651 79 HG3 GLU 11 1HG GLU 11 4.070 -7.723 -5.873 80 H PHE 12 H PHE 12 2.800 -9.487 -1.707 81 HA PHE 12 HA PHE 12 2.466 -6.775 -0.964 82 HB2 PHE 12 2HB PHE 12 0.726 -7.687 0.156 83 HB3 PHE 12 1HB PHE 12 1.307 -9.284 -0.300 84 HD1 PHE 12 2HD PHE 12 1.884 -6.562 2.210 85 HD2 PHE 12 1HD PHE 12 2.010 -10.762 1.376 86 HE1 PHE 12 2HE PHE 12 2.436 -7.015 4.578 87 HE2 PHE 12 1HE PHE 12 2.568 -11.223 3.736 88 HZ PHE 12 HZ PHE 12 2.782 -9.349 5.340 89 H LYS 13 H LYS 13 4.567 -9.343 0.249 90 HA LYS 13 HA LYS 13 5.550 -8.089 2.540 91 HB2 LYS 13 2HB LYS 13 5.985 -10.452 1.971 92 HB3 LYS 13 1HB LYS 13 6.994 -9.939 0.628 93 HG2 LYS 13 2HG LYS 13 7.723 -8.701 3.236 94 HG3 LYS 13 1HG LYS 13 7.937 -10.449 3.183 95 HD2 LYS 13 2HD LYS 13 8.950 -8.738 0.912 96 HD3 LYS 13 1HD LYS 13 9.887 -8.900 2.381 97 HE2 LYS 13 2HE LYS 13 9.788 -11.396 2.111 98 HE3 LYS 13 1HE LYS 13 8.980 -11.146 0.563 99 HZ1 LYS 13 3HZ LYS 13 11.750 -10.807 1.254 100 HZ2 LYS 13 1HZ LYS 13 11.100 -9.489 0.409 101 HZ3 LYS 13 2HZ LYS 13 11.032 -11.044 -0.266 102 H GLU 14 H GLU 14 6.639 -7.895 -0.834 103 HA GLU 14 HA GLU 14 8.889 -6.228 -0.372 104 HB2 GLU 14 2HB GLU 14 7.130 -6.613 -2.808 105 HB3 GLU 14 1HB GLU 14 8.629 -5.687 -2.823 106 HG2 GLU 14 2HG GLU 14 9.899 -7.686 -2.145 107 HG3 GLU 14 1HG GLU 14 8.407 -8.612 -2.028 108 H ALA 15 H ALA 15 5.640 -5.412 -1.621 109 HA ALA 15 HA ALA 15 5.927 -2.640 -1.616 110 HB1 ALA 15 1HB ALA 15 3.276 -3.770 -0.838 111 HB2 ALA 15 2HB ALA 15 3.966 -4.307 -2.367 112 HB3 ALA 15 3HB ALA 15 3.675 -2.592 -2.091 113 H PHE 16 H PHE 16 5.051 -4.845 1.002 114 HA PHE 16 HA PHE 16 4.290 -2.937 2.913 115 HB2 PHE 16 2HB PHE 16 3.803 -4.986 3.779 116 HB3 PHE 16 1HB PHE 16 5.106 -5.771 2.904 117 HD1 PHE 16 2HD PHE 16 4.620 -3.320 5.716 118 HD2 PHE 16 1HD PHE 16 6.906 -6.598 4.140 119 HE1 PHE 16 2HE PHE 16 5.976 -3.377 7.792 120 HE2 PHE 16 1HE PHE 16 8.263 -6.649 6.210 121 HZ PHE 16 HZ PHE 16 7.797 -5.043 8.027 122 H SER 17 H SER 17 7.473 -4.444 2.370 123 HA SER 17 HA SER 17 8.914 -3.067 4.318 124 HB2 SER 17 2HB SER 17 9.765 -4.241 1.672 125 HB3 SER 17 1HB SER 17 10.912 -3.501 2.785 126 HG SER 17 HG SER 17 9.891 -4.971 4.392 127 H LEU 18 H LEU 18 7.893 -2.013 1.123 128 HA LEU 18 HA LEU 18 9.667 0.250 0.978 129 HB2 LEU 18 2HB LEU 18 7.070 -0.347 -0.461 130 HB3 LEU 18 1HB LEU 18 8.170 0.965 -0.876 131 HG LEU 18 HG LEU 18 8.904 -1.978 -0.864 132 HD11 LEU 18 1HD1 LEU 18 7.288 -1.108 -2.679 133 HD12 LEU 18 2HD1 LEU 18 8.747 -1.930 -3.228 134 HD13 LEU 18 3HD1 LEU 18 8.656 -0.169 -3.268 135 HD21 LEU 18 3HD2 LEU 18 10.853 -0.843 -2.290 136 HD22 LEU 18 1HD2 LEU 18 10.944 -0.925 -0.536 137 HD23 LEU 18 2HD2 LEU 18 10.430 0.567 -1.324 138 H PHE 19 H PHE 19 6.262 -0.132 1.922 139 HA PHE 19 HA PHE 19 5.828 2.636 2.393 140 HB2 PHE 19 2HB PHE 19 4.348 0.260 3.501 141 HB3 PHE 19 1HB PHE 19 3.769 1.922 3.514 142 HD1 PHE 19 2HD PHE 19 4.035 3.102 1.046 143 HD2 PHE 19 1HD PHE 19 3.466 -1.085 1.812 144 HE1 PHE 19 2HE PHE 19 3.135 2.803 -1.238 145 HE2 PHE 19 1HE PHE 19 2.563 -1.379 -0.460 146 HZ PHE 19 HZ PHE 19 2.396 0.564 -1.999 147 H ASP 20 H ASP 20 6.281 -0.040 4.724 148 HA ASP 20 HA ASP 20 6.303 1.532 7.024 149 HB2 ASP 20 2HB ASP 20 6.304 -1.022 6.836 150 HB3 ASP 20 1HB ASP 20 8.054 -0.903 6.667 151 H LYS 21 H LYS 21 7.436 3.486 6.491 152 HA LYS 21 HA LYS 21 10.137 3.521 5.647 153 HB2 LYS 21 2HB LYS 21 8.552 5.600 7.178 154 HB3 LYS 21 1HB LYS 21 10.144 5.878 6.486 155 HG2 LYS 21 2HG LYS 21 7.664 5.087 4.933 156 HG3 LYS 21 1HG LYS 21 8.355 6.699 4.986 157 HD2 LYS 21 2HD LYS 21 10.545 5.392 4.169 158 HD3 LYS 21 1HD LYS 21 9.357 4.238 3.588 159 HE2 LYS 21 2HE LYS 21 8.213 6.427 2.612 160 HE3 LYS 21 1HE LYS 21 9.847 7.060 2.714 161 HZ1 LYS 21 3HZ LYS 21 8.977 4.624 1.262 162 HZ2 LYS 21 1HZ LYS 21 10.598 5.068 1.478 163 HZ3 LYS 21 2HZ LYS 21 9.557 6.065 0.580 164 H ASP 22 H ASP 22 8.797 4.138 8.898 165 HA ASP 22 HA ASP 22 11.269 4.214 10.239 166 HB2 ASP 22 2HB ASP 22 9.900 3.830 12.278 167 HB3 ASP 22 1HB ASP 22 9.190 5.056 11.228 168 H GLY 23 H GLY 23 9.482 1.596 8.913 169 HA2 GLY 23 2HA GLY 23 9.898 -0.650 8.792 170 HA3 GLY 23 1HA GLY 23 11.514 -0.301 9.394 171 H ASP 24 H ASP 24 8.329 0.165 10.952 172 HA ASP 24 HA ASP 24 9.343 -1.272 13.309 173 HB2 ASP 24 2HB ASP 24 7.552 -0.287 14.524 174 HB3 ASP 24 1HB ASP 24 8.192 0.977 13.481 175 H GLY 25 H GLY 25 7.681 -2.039 10.535 176 HA2 GLY 25 2HA GLY 25 6.996 -4.292 10.080 177 HA3 GLY 25 1HA GLY 25 6.591 -4.493 11.777 178 H THR 26 H THR 26 5.560 -1.494 10.755 179 HA THR 26 HA THR 26 2.922 -2.445 9.837 180 HB THR 26 HB THR 26 2.011 -0.553 11.423 181 HG1 THR 26 1HG THR 26 4.511 -1.253 12.543 182 HG21 THR 26 3HG2 THR 26 1.815 -2.232 13.269 183 HG22 THR 26 1HG2 THR 26 2.956 -3.258 12.395 184 HG23 THR 26 2HG2 THR 26 1.383 -2.878 11.684 185 H ILE 27 H ILE 27 1.553 -0.485 9.200 186 HA ILE 27 HA ILE 27 3.275 1.587 7.942 187 HB ILE 27 HB ILE 27 0.956 0.140 6.672 188 HG12 ILE 27 2HG1 ILE 27 3.820 0.340 5.758 189 HG13 ILE 27 1HG1 ILE 27 3.232 -0.994 6.746 190 HG21 ILE 27 1HG2 ILE 27 0.815 2.432 5.996 191 HG22 ILE 27 2HG2 ILE 27 1.631 1.580 4.683 192 HG23 ILE 27 3HG2 ILE 27 2.566 2.549 5.824 193 HD11 ILE 27 3HD1 ILE 27 2.085 -0.184 4.053 194 HD12 ILE 27 1HD1 ILE 27 1.554 -1.547 5.043 195 HD13 ILE 27 2HD1 ILE 27 3.164 -1.552 4.334 196 H THR 28 H THR 28 2.321 3.647 7.718 197 HA THR 28 HA THR 28 -0.318 4.051 8.953 198 HB THR 28 HB THR 28 1.540 4.263 10.699 199 HG1 THR 28 1HG THR 28 0.237 6.710 10.375 200 HG21 THR 28 3HG2 THR 28 2.985 5.569 8.958 201 HG22 THR 28 1HG2 THR 28 2.998 6.099 10.636 202 HG23 THR 28 2HG2 THR 28 2.015 6.946 9.449 203 H THR 29 H THR 29 -0.772 6.560 8.903 204 HA THR 29 HA THR 29 -1.037 7.323 6.228 205 HB THR 29 HB THR 29 -1.770 9.480 7.081 206 HG1 THR 29 1HG THR 29 -1.032 8.750 9.675 207 HG21 THR 29 3HG2 THR 29 -3.377 7.734 7.411 208 HG22 THR 29 1HG2 THR 29 -3.338 8.667 8.905 209 HG23 THR 29 2HG2 THR 29 -2.514 7.116 8.817 210 H LYS 30 H LYS 30 1.316 8.341 8.659 211 HA LYS 30 HA LYS 30 2.654 10.267 7.081 212 HB2 LYS 30 2HB LYS 30 3.581 8.647 9.466 213 HB3 LYS 30 1HB LYS 30 4.483 9.989 8.771 214 HG2 LYS 30 2HG LYS 30 2.599 11.508 9.193 215 HG3 LYS 30 1HG LYS 30 1.650 10.172 9.844 216 HD2 LYS 30 2HD LYS 30 3.285 9.861 11.649 217 HD3 LYS 30 1HD LYS 30 4.287 11.150 10.985 218 HE2 LYS 30 2HE LYS 30 3.044 12.198 12.710 219 HE3 LYS 30 1HE LYS 30 2.197 12.647 11.230 220 HZ1 LYS 30 3HZ LYS 30 1.222 11.201 13.440 221 HZ2 LYS 30 1HZ LYS 30 1.172 10.202 12.071 222 HZ3 LYS 30 2HZ LYS 30 0.385 11.706 12.051 223 H GLU 31 H GLU 31 3.327 6.823 7.692 224 HA GLU 31 HA GLU 31 5.734 6.651 6.238 225 HB2 GLU 31 2HB GLU 31 3.607 4.623 6.937 226 HB3 GLU 31 1HB GLU 31 5.035 4.181 6.017 227 HG2 GLU 31 2HG GLU 31 6.503 4.719 7.794 228 HG3 GLU 31 1HG GLU 31 5.278 5.652 8.644 229 H LEU 32 H LEU 32 2.499 5.555 5.228 230 HA LEU 32 HA LEU 32 3.122 5.197 2.507 231 HB2 LEU 32 2HB LEU 32 1.200 4.157 3.370 232 HB3 LEU 32 1HB LEU 32 0.525 5.667 3.977 233 HG LEU 32 HG LEU 32 0.323 6.426 1.576 234 HD11 LEU 32 1HD1 LEU 32 1.982 5.063 0.501 235 HD12 LEU 32 2HD1 LEU 32 0.413 4.556 -0.120 236 HD13 LEU 32 3HD1 LEU 32 1.232 3.585 1.103 237 HD21 LEU 32 3HD2 LEU 32 -1.106 3.816 1.969 238 HD22 LEU 32 1HD2 LEU 32 -1.686 5.278 1.181 239 HD23 LEU 32 2HD2 LEU 32 -1.502 5.236 2.932 240 H GLY 33 H GLY 33 1.560 7.929 4.177 241 HA2 GLY 33 2HA GLY 33 1.001 9.611 2.063 242 HA3 GLY 33 1HA GLY 33 1.496 10.183 3.653 243 H THR 34 H THR 34 4.094 9.221 3.773 244 HA THR 34 HA THR 34 5.547 11.199 2.391 245 HB THR 34 HB THR 34 6.513 8.579 3.581 246 HG1 THR 34 1HG THR 34 5.408 10.273 4.891 247 HG21 THR 34 3HG2 THR 34 8.676 9.962 3.763 248 HG22 THR 34 1HG2 THR 34 7.948 11.033 2.567 249 HG23 THR 34 2HG2 THR 34 8.256 9.342 2.166 250 H VAL 35 H VAL 35 5.267 7.654 1.735 251 HA VAL 35 HA VAL 35 6.826 7.611 -0.566 252 HB VAL 35 HB VAL 35 4.408 5.915 0.167 253 HG11 VAL 35 1HG1 VAL 35 4.820 5.536 -2.151 254 HG12 VAL 35 2HG1 VAL 35 5.675 4.233 -1.325 255 HG13 VAL 35 3HG1 VAL 35 6.567 5.627 -1.940 256 HG21 VAL 35 3HG2 VAL 35 6.205 4.326 0.907 257 HG22 VAL 35 1HG2 VAL 35 6.115 5.792 1.875 258 HG23 VAL 35 2HG2 VAL 35 7.381 5.604 0.656 259 H MET 36 H MET 36 3.356 8.237 -0.149 260 HA MET 36 HA MET 36 2.756 8.339 -2.947 261 HB2 MET 36 2HB MET 36 1.285 9.488 -0.573 262 HB3 MET 36 1HB MET 36 0.644 9.431 -2.215 263 HG2 MET 36 2HG MET 36 1.092 6.909 -2.149 264 HG3 MET 36 1HG MET 36 1.360 7.105 -0.419 265 HE1 MET 36 3HE MET 36 -2.447 7.426 -2.851 266 HE2 MET 36 1HE MET 36 -1.358 6.032 -2.858 267 HE3 MET 36 2HE MET 36 -0.776 7.615 -3.378 268 H ARG 37 H ARG 37 3.596 10.818 -0.571 269 HA ARG 37 HA ARG 37 3.217 13.038 -2.325 270 HB2 ARG 37 2HB ARG 37 3.225 13.257 0.117 271 HB3 ARG 37 1HB ARG 37 4.945 12.861 0.131 272 HG2 ARG 37 2HG ARG 37 5.496 14.820 -1.139 273 HG3 ARG 37 1HG ARG 37 3.798 15.153 -1.479 274 HD2 ARG 37 2HD ARG 37 3.362 15.698 0.808 275 HD3 ARG 37 1HD ARG 37 4.932 15.097 1.313 276 HE ARG 37 HE ARG 37 5.920 17.071 0.518 277 HH11 ARG 37 1HH2 ARG 37 2.597 16.824 -0.383 278 HH12 ARG 37 2HH2 ARG 37 2.483 18.466 -0.921 279 HH21 ARG 37 1HH1 ARG 37 5.790 19.193 -0.202 280 HH22 ARG 37 2HH1 ARG 37 4.289 19.814 -0.803 281 H SER 38 H SER 38 6.181 11.384 -1.209 282 HA SER 38 HA SER 38 8.086 12.766 -2.644 283 HB2 SER 38 2HB SER 38 7.951 9.809 -2.026 284 HB3 SER 38 1HB SER 38 9.380 10.606 -2.678 285 HG SER 38 HG SER 38 8.260 10.709 -0.149 286 H LEU 39 H LEU 39 5.799 10.375 -3.815 287 HA LEU 39 HA LEU 39 7.045 10.028 -6.379 288 HB2 LEU 39 2HB LEU 39 4.305 9.338 -5.311 289 HB3 LEU 39 1HB LEU 39 4.827 8.945 -6.942 290 HG LEU 39 HG LEU 39 6.440 8.139 -4.511 291 HD11 LEU 39 1HD1 LEU 39 5.367 5.866 -4.866 292 HD12 LEU 39 2HD1 LEU 39 4.182 6.670 -5.895 293 HD13 LEU 39 3HD1 LEU 39 4.298 7.094 -4.187 294 HD21 LEU 39 3HD2 LEU 39 6.430 7.458 -7.450 295 HD22 LEU 39 1HD2 LEU 39 7.038 6.287 -6.288 296 HD23 LEU 39 2HD2 LEU 39 7.786 7.869 -6.406 297 H GLY 40 H GLY 40 5.065 12.442 -5.003 298 HA2 GLY 40 2HA GLY 40 4.794 14.559 -6.102 299 HA3 GLY 40 1HA GLY 40 4.768 13.727 -7.650 300 H GLN 41 H GLN 41 2.913 12.368 -5.050 301 HA GLN 41 HA GLN 41 0.463 12.799 -6.535 302 HB2 GLN 41 2HB GLN 41 0.957 10.665 -5.353 303 HB3 GLN 41 1HB GLN 41 0.865 11.528 -3.819 304 HG2 GLN 41 2HG GLN 41 -1.277 10.433 -4.279 305 HG3 GLN 41 1HG GLN 41 -1.477 12.183 -4.338 306 HE21 GLN 41 1HE2 GLN 41 -3.123 12.423 -5.930 307 HE22 GLN 41 2HE2 GLN 41 -3.023 11.773 -7.496 308 H ASN 42 H ASN 42 -0.700 14.574 -6.388 309 HA ASN 42 HA ASN 42 -0.388 16.785 -4.928 310 HB2 ASN 42 2HB ASN 42 -2.877 15.472 -5.953 311 HB3 ASN 42 1HB ASN 42 -3.015 16.972 -5.046 312 HD21 ASN 42 1HD2 ASN 42 -2.587 18.896 -6.174 313 HD22 ASN 42 2HD2 ASN 42 -1.931 18.953 -7.739 314 HA PRO 43 HA PRO 43 -1.016 16.355 -0.578 315 HB2 PRO 43 2HB PRO 43 -3.295 18.290 -0.862 316 HB3 PRO 43 1HB PRO 43 -1.923 18.321 0.264 317 HG2 PRO 43 2HG PRO 43 -2.044 19.889 -1.937 318 HG3 PRO 43 1HG PRO 43 -0.522 19.298 -1.256 319 HD2 PRO 43 2HD PRO 43 -1.842 18.515 -3.778 320 HD3 PRO 43 1HD PRO 43 -0.161 18.272 -3.261 321 H THR 44 H THR 44 -1.807 14.321 -0.262 322 HA THR 44 HA THR 44 -4.754 13.992 -0.258 323 HB THR 44 HB THR 44 -4.270 11.574 -0.944 324 HG1 THR 44 1HG THR 44 -2.141 12.109 -2.386 325 HG21 THR 44 3HG2 THR 44 -5.334 12.839 -2.596 326 HG22 THR 44 1HG2 THR 44 -3.845 12.357 -3.406 327 HG23 THR 44 2HG2 THR 44 -3.995 13.978 -2.731 328 H GLU 45 H GLU 45 -2.151 14.223 1.605 329 HA GLU 45 HA GLU 45 -1.923 12.042 3.270 330 HB2 GLU 45 2HB GLU 45 -0.574 14.091 3.496 331 HB3 GLU 45 1HB GLU 45 -1.987 14.957 4.096 332 HG2 GLU 45 2HG GLU 45 -2.124 13.466 6.027 333 HG3 GLU 45 1HG GLU 45 -0.773 12.511 5.417 334 H ALA 46 H ALA 46 -4.619 14.181 2.889 335 HA ALA 46 HA ALA 46 -5.932 13.474 5.362 336 HB1 ALA 46 1HB ALA 46 -7.865 14.675 4.374 337 HB2 ALA 46 2HB ALA 46 -6.965 14.834 2.867 338 HB3 ALA 46 3HB ALA 46 -6.384 15.632 4.328 339 H GLU 47 H GLU 47 -6.190 12.572 1.964 340 HA GLU 47 HA GLU 47 -8.409 10.880 2.036 341 HB2 GLU 47 2HB GLU 47 -7.212 11.626 -0.027 342 HB3 GLU 47 1HB GLU 47 -5.884 10.543 0.383 343 HG2 GLU 47 2HG GLU 47 -7.407 8.610 0.268 344 HG3 GLU 47 1HG GLU 47 -8.753 9.684 -0.105 345 H LEU 48 H LEU 48 -4.970 10.165 2.619 346 HA LEU 48 HA LEU 48 -5.199 7.405 3.102 347 HB2 LEU 48 2HB LEU 48 -3.246 9.529 3.972 348 HB3 LEU 48 1HB LEU 48 -3.081 7.865 4.545 349 HG LEU 48 HG LEU 48 -2.881 7.019 2.300 350 HD11 LEU 48 1HD1 LEU 48 -4.445 8.372 1.092 351 HD12 LEU 48 2HD1 LEU 48 -2.868 8.691 0.379 352 HD13 LEU 48 3HD1 LEU 48 -3.572 9.846 1.497 353 HD21 LEU 48 3HD2 LEU 48 -1.216 9.494 2.834 354 HD22 LEU 48 1HD2 LEU 48 -0.900 8.412 1.486 355 HD23 LEU 48 2HD2 LEU 48 -0.780 7.813 3.135 356 H GLN 49 H GLN 49 -5.026 10.103 5.442 357 HA GLN 49 HA GLN 49 -5.399 8.758 7.816 358 HB2 GLN 49 2HB GLN 49 -6.532 11.410 6.914 359 HB3 GLN 49 1HB GLN 49 -6.656 10.830 8.575 360 HG2 GLN 49 2HG GLN 49 -4.268 10.772 8.818 361 HG3 GLN 49 1HG GLN 49 -4.024 11.068 7.104 362 HE21 GLN 49 1HE2 GLN 49 -3.141 12.713 9.486 363 HE22 GLN 49 2HE2 GLN 49 -3.797 14.257 9.214 364 H ASP 50 H ASP 50 -7.914 9.700 5.509 365 HA ASP 50 HA ASP 50 -10.055 8.647 7.115 366 HB2 ASP 50 2HB ASP 50 -10.262 10.544 5.460 367 HB3 ASP 50 1HB ASP 50 -10.111 9.352 4.172 368 H MET 51 H MET 51 -8.275 7.557 4.232 369 HA MET 51 HA MET 51 -9.824 5.245 3.744 370 HB2 MET 51 2HB MET 51 -7.008 6.034 3.029 371 HB3 MET 51 1HB MET 51 -7.661 4.473 2.562 372 HG2 MET 51 2HG MET 51 -9.000 7.112 1.914 373 HG3 MET 51 1HG MET 51 -7.922 6.264 0.805 374 HE1 MET 51 3HE MET 51 -11.385 7.039 0.926 375 HE2 MET 51 1HE MET 51 -11.714 5.891 -0.379 376 HE3 MET 51 2HE MET 51 -10.282 6.914 -0.443 377 H ILE 52 H ILE 52 -6.775 5.660 5.529 378 HA ILE 52 HA ILE 52 -6.520 2.952 6.284 379 HB ILE 52 HB ILE 52 -5.374 5.531 7.335 380 HG12 ILE 52 2HG1 ILE 52 -4.082 3.040 6.177 381 HG13 ILE 52 1HG1 ILE 52 -4.549 4.440 5.212 382 HG21 ILE 52 1HG2 ILE 52 -5.546 4.285 9.350 383 HG22 ILE 52 2HG2 ILE 52 -3.914 3.957 8.777 384 HG23 ILE 52 3HG2 ILE 52 -5.186 2.764 8.539 385 HD11 ILE 52 3HD1 ILE 52 -2.095 4.264 6.123 386 HD12 ILE 52 1HD1 ILE 52 -2.801 4.822 7.635 387 HD13 ILE 52 2HD1 ILE 52 -2.931 5.814 6.184 388 H ASN 53 H ASN 53 -8.017 5.739 7.861 389 HA ASN 53 HA ASN 53 -8.672 4.678 10.328 390 HB2 ASN 53 2HB ASN 53 -9.089 7.007 9.769 391 HB3 ASN 53 1HB ASN 53 -10.296 6.541 8.572 392 HD21 ASN 53 1HD2 ASN 53 -11.336 8.204 10.392 393 HD22 ASN 53 2HD2 ASN 53 -12.235 7.389 11.577 394 H GLU 54 H GLU 54 -10.356 4.239 7.232 395 HA GLU 54 HA GLU 54 -12.561 2.791 8.352 396 HB2 GLU 54 2HB GLU 54 -12.681 4.017 6.193 397 HB3 GLU 54 1HB GLU 54 -11.572 2.840 5.491 398 HG2 GLU 54 2HG GLU 54 -13.168 1.025 5.968 399 HG3 GLU 54 1HG GLU 54 -14.271 2.179 6.712 400 H VAL 55 H VAL 55 -9.707 1.756 6.447 401 HA VAL 55 HA VAL 55 -10.306 -1.043 7.084 402 HB VAL 55 HB VAL 55 -8.618 -1.607 5.462 403 HG11 VAL 55 1HG1 VAL 55 -9.546 -0.501 3.482 404 HG12 VAL 55 2HG1 VAL 55 -10.222 0.776 4.495 405 HG13 VAL 55 3HG1 VAL 55 -10.840 -0.870 4.624 406 HG21 VAL 55 3HG2 VAL 55 -7.984 1.353 5.483 407 HG22 VAL 55 1HG2 VAL 55 -7.345 0.218 4.299 408 HG23 VAL 55 2HG2 VAL 55 -6.914 0.055 5.999 409 H ASP 56 H ASP 56 -9.249 0.929 9.148 410 HA ASP 56 HA ASP 56 -6.554 0.250 9.726 411 HB2 ASP 56 2HB ASP 56 -7.971 2.198 10.658 412 HB3 ASP 56 1HB ASP 56 -8.582 1.025 11.818 413 H ALA 57 H ALA 57 -9.610 -1.260 10.520 414 HA ALA 57 HA ALA 57 -10.156 -3.306 11.379 415 HB1 ALA 57 1HB ALA 57 -8.654 -5.091 11.082 416 HB2 ALA 57 2HB ALA 57 -7.244 -4.051 11.275 417 HB3 ALA 57 3HB ALA 57 -8.219 -3.950 9.809 418 H ASP 58 H ASP 58 -6.886 -2.678 12.743 419 HA ASP 58 HA ASP 58 -7.675 -3.556 15.347 420 HB2 ASP 58 2HB ASP 58 -5.339 -3.607 14.303 421 HB3 ASP 58 1HB ASP 58 -5.249 -1.895 14.699 422 H GLY 59 H GLY 59 -7.533 -0.448 13.739 423 HA2 GLY 59 2HA GLY 59 -8.583 1.544 14.404 424 HA3 GLY 59 1HA GLY 59 -8.931 0.812 15.970 425 H ASN 60 H ASN 60 -5.749 0.330 14.969 426 HA ASN 60 HA ASN 60 -4.699 2.066 17.032 427 HB2 ASN 60 2HB ASN 60 -2.533 1.019 16.396 428 HB3 ASN 60 1HB ASN 60 -3.777 -0.167 16.785 429 HD21 ASN 60 1HD2 ASN 60 -2.041 -1.437 15.343 430 HD22 ASN 60 2HD2 ASN 60 -2.400 -1.489 13.685 431 H GLY 61 H GLY 61 -5.281 2.225 13.673 432 HA2 GLY 61 2HA GLY 61 -5.131 4.223 12.402 433 HA3 GLY 61 1HA GLY 61 -3.902 4.818 13.510 434 H THR 62 H THR 62 -3.399 1.583 12.674 435 HA THR 62 HA THR 62 -1.570 2.284 10.454 436 HB THR 62 HB THR 62 0.142 0.845 11.398 437 HG1 THR 62 1HG THR 62 -1.483 0.573 13.684 438 HG21 THR 62 3HG2 THR 62 0.831 2.233 13.199 439 HG22 THR 62 1HG2 THR 62 -0.833 2.610 13.642 440 HG23 THR 62 2HG2 THR 62 -0.143 3.275 12.160 441 H ILE 63 H ILE 63 -1.015 0.534 9.049 442 HA ILE 63 HA ILE 63 -3.151 -1.502 8.877 443 HB ILE 63 HB ILE 63 -1.148 -0.735 6.749 444 HG12 ILE 63 2HG1 ILE 63 -2.417 1.264 7.263 445 HG13 ILE 63 1HG1 ILE 63 -3.070 0.576 5.780 446 HG21 ILE 63 1HG2 ILE 63 -2.233 -2.913 6.450 447 HG22 ILE 63 2HG2 ILE 63 -2.830 -1.758 5.258 448 HG23 ILE 63 3HG2 ILE 63 -3.815 -2.163 6.665 449 HD11 ILE 63 3HD1 ILE 63 -4.255 0.561 8.541 450 HD12 ILE 63 1HD1 ILE 63 -4.729 -0.675 7.379 451 HD13 ILE 63 2HD1 ILE 63 -5.009 1.021 7.014 452 H ASP 64 H ASP 64 -2.669 -3.415 9.665 453 HA ASP 64 HA ASP 64 0.018 -4.254 10.193 454 HB2 ASP 64 2HB ASP 64 -2.642 -5.660 10.408 455 HB3 ASP 64 1HB ASP 64 -1.117 -6.393 10.894 456 H PHE 65 H PHE 65 0.555 -6.629 9.596 457 HA PHE 65 HA PHE 65 1.298 -6.762 6.941 458 HB2 PHE 65 2HB PHE 65 1.161 -8.658 9.216 459 HB3 PHE 65 1HB PHE 65 1.208 -9.421 7.622 460 HD1 PHE 65 2HD PHE 65 2.729 -6.223 8.797 461 HD2 PHE 65 1HD PHE 65 3.405 -10.239 7.439 462 HE1 PHE 65 2HE PHE 65 5.163 -5.777 8.693 463 HE2 PHE 65 1HE PHE 65 5.841 -9.793 7.332 464 HZ PHE 65 HZ PHE 65 6.719 -7.564 7.962 465 HA PRO 66 HA PRO 66 -2.218 -9.921 5.891 466 HB2 PRO 66 2HB PRO 66 -4.378 -9.896 7.674 467 HB3 PRO 66 1HB PRO 66 -3.073 -11.097 7.662 468 HG2 PRO 66 2HG PRO 66 -3.402 -8.678 9.378 469 HG3 PRO 66 1HG PRO 66 -2.789 -10.290 9.798 470 HD2 PRO 66 2HD PRO 66 -1.117 -8.220 9.422 471 HD3 PRO 66 1HD PRO 66 -0.681 -9.871 8.917 472 H GLU 67 H GLU 67 -3.485 -7.139 7.722 473 HA GLU 67 HA GLU 67 -5.730 -6.515 6.292 474 HB2 GLU 67 2HB GLU 67 -3.672 -4.557 7.335 475 HB3 GLU 67 1HB GLU 67 -5.355 -4.183 6.956 476 HG2 GLU 67 2HG GLU 67 -6.130 -5.753 8.651 477 HG3 GLU 67 1HG GLU 67 -4.470 -6.246 8.988 478 H PHE 68 H PHE 68 -2.441 -5.358 5.555 479 HA PHE 68 HA PHE 68 -3.102 -3.987 3.193 480 HB2 PHE 68 2HB PHE 68 -0.996 -3.620 4.362 481 HB3 PHE 68 1HB PHE 68 -0.492 -5.272 4.002 482 HD1 PHE 68 1HD PHE 68 -0.227 -5.976 1.581 483 HD2 PHE 68 2HD PHE 68 -0.753 -1.884 2.761 484 HE1 PHE 68 1HE PHE 68 0.668 -5.235 -0.605 485 HE2 PHE 68 2HE PHE 68 0.136 -1.143 0.567 486 HZ PHE 68 HZ PHE 68 0.844 -2.817 -1.117 487 H LEU 69 H LEU 69 -1.834 -7.259 3.711 488 HA LEU 69 HA LEU 69 -1.633 -8.076 1.062 489 HB2 LEU 69 2HB LEU 69 -0.705 -9.464 2.746 490 HB3 LEU 69 1HB LEU 69 -2.235 -9.575 3.609 491 HG LEU 69 HG LEU 69 -2.275 -10.558 0.782 492 HD11 LEU 69 1HD1 LEU 69 -0.175 -11.501 1.368 493 HD12 LEU 69 2HD1 LEU 69 -1.362 -12.782 1.591 494 HD13 LEU 69 3HD1 LEU 69 -0.730 -11.911 2.989 495 HD21 LEU 69 3HD2 LEU 69 -4.136 -10.629 2.641 496 HD22 LEU 69 1HD2 LEU 69 -3.214 -11.983 3.273 497 HD23 LEU 69 2HD2 LEU 69 -3.883 -12.053 1.642 498 H THR 70 H THR 70 -4.450 -7.621 3.047 499 HA THR 70 HA THR 70 -6.198 -9.124 1.280 500 HB THR 70 HB THR 70 -6.862 -7.360 3.641 501 HG1 THR 70 1HG THR 70 -5.884 -9.892 3.376 502 HG21 THR 70 3HG2 THR 70 -8.453 -9.338 2.003 503 HG22 THR 70 1HG2 THR 70 -8.819 -7.637 2.292 504 HG23 THR 70 2HG2 THR 70 -8.955 -8.804 3.607 505 H MET 71 H MET 71 -6.501 -5.779 2.493 506 HA MET 71 HA MET 71 -8.231 -4.904 0.522 507 HB2 MET 71 2HB MET 71 -7.707 -2.662 1.179 508 HB3 MET 71 1HB MET 71 -7.632 -3.673 2.619 509 HG2 MET 71 2HG MET 71 -5.169 -3.843 2.315 510 HG3 MET 71 1HG MET 71 -5.271 -2.716 0.966 511 HE1 MET 71 3HE MET 71 -5.808 -1.964 5.431 512 HE2 MET 71 1HE MET 71 -4.659 -3.070 4.668 513 HE3 MET 71 2HE MET 71 -6.386 -3.375 4.551 514 H MET 72 H MET 72 -4.922 -5.696 0.149 515 HA MET 72 HA MET 72 -4.619 -4.038 -2.244 516 HB2 MET 72 2HB MET 72 -2.346 -4.507 -2.184 517 HB3 MET 72 1HB MET 72 -2.785 -4.403 -0.489 518 HG2 MET 72 2HG MET 72 -1.538 -6.370 -0.554 519 HG3 MET 72 1HG MET 72 -3.177 -6.988 -0.695 520 HE1 MET 72 3HE MET 72 -0.280 -5.465 -2.729 521 HE2 MET 72 1HE MET 72 0.129 -6.788 -3.828 522 HE3 MET 72 2HE MET 72 0.300 -7.002 -2.089 523 H ALA 73 H ALA 73 -5.155 -7.355 -1.326 524 HA ALA 73 HA ALA 73 -4.617 -8.498 -3.909 525 HB1 ALA 73 1HB ALA 73 -5.754 -10.512 -2.864 526 HB2 ALA 73 2HB ALA 73 -5.967 -9.531 -1.411 527 HB3 ALA 73 3HB ALA 73 -4.343 -9.903 -1.996 528 H ARG 74 H ARG 74 -7.028 -6.491 -2.975 529 HA ARG 74 HA ARG 74 -9.391 -7.752 -3.851 530 HB2 ARG 74 2HB ARG 74 -8.558 -4.848 -3.708 531 HB3 ARG 74 1HB ARG 74 -10.182 -5.349 -4.178 532 HG2 ARG 74 2HG ARG 74 -10.484 -6.508 -2.047 533 HG3 ARG 74 1HG ARG 74 -8.822 -6.145 -1.582 534 HD2 ARG 74 2HD ARG 74 -10.317 -4.557 -0.494 535 HD3 ARG 74 1HD ARG 74 -9.362 -3.711 -1.706 536 HE ARG 74 HE ARG 74 -11.798 -4.586 -2.865 537 HH11 ARG 74 1HH2 ARG 74 -10.530 -2.328 -0.579 538 HH12 ARG 74 2HH2 ARG 74 -11.776 -1.156 -0.847 539 HH21 ARG 74 1HH1 ARG 74 -13.428 -3.046 -3.204 540 HH22 ARG 74 2HH1 ARG 74 -13.399 -1.556 -2.322 541 H LYS 75 H LYS 75 -7.517 -5.265 -5.614 542 HA LYS 75 HA LYS 75 -7.184 -4.893 -7.845 543 HB2 LYS 75 2HB LYS 75 -7.423 -7.906 -7.841 544 HB3 LYS 75 1HB LYS 75 -6.981 -6.977 -9.269 545 HG2 LYS 75 2HG LYS 75 -5.053 -6.021 -8.074 546 HG3 LYS 75 1HG LYS 75 -5.502 -6.907 -6.617 547 HD2 LYS 75 2HD LYS 75 -5.130 -9.038 -7.739 548 HD3 LYS 75 1HD LYS 75 -4.828 -8.218 -9.272 549 HE2 LYS 75 2HE LYS 75 -2.703 -8.847 -8.194 550 HE3 LYS 75 1HE LYS 75 -2.861 -7.093 -8.272 551 HZ1 LYS 75 3HZ LYS 75 -2.119 -7.982 -6.079 552 HZ2 LYS 75 1HZ LYS 75 -3.645 -8.701 -5.907 553 HZ3 LYS 75 2HZ LYS 75 -3.512 -7.011 -6.009 554 H MET 76 H MET 76 -8.211 -6.007 -10.131 555 HA MET 76 HA MET 76 -11.136 -5.563 -9.859 556 HB2 MET 76 2HB MET 76 -9.245 -4.645 -12.054 557 HB3 MET 76 1HB MET 76 -10.999 -4.503 -12.122 558 HG2 MET 76 2HG MET 76 -9.238 -3.248 -9.986 559 HG3 MET 76 1HG MET 76 -9.914 -2.387 -11.367 560 HE1 MET 76 3HE MET 76 -13.515 -2.040 -10.894 561 HE2 MET 76 1HE MET 76 -13.087 -3.637 -11.520 562 HE3 MET 76 2HE MET 76 -12.148 -2.222 -11.988 563 H LYS 77 H LYS 77 -9.177 -6.403 -12.640 564 HA LYS 77 HA LYS 77 -10.829 -8.793 -13.077 565 HB2 LYS 77 2HB LYS 77 -9.971 -8.697 -15.359 566 HB3 LYS 77 1HB LYS 77 -10.614 -7.123 -14.894 567 HG2 LYS 77 2HG LYS 77 -8.300 -6.360 -14.345 568 HG3 LYS 77 1HG LYS 77 -7.675 -7.916 -14.885 569 HD2 LYS 77 2HD LYS 77 -8.698 -7.470 -17.147 570 HD3 LYS 77 1HD LYS 77 -9.126 -5.857 -16.584 571 HE2 LYS 77 2HE LYS 77 -6.307 -6.979 -16.723 572 HE3 LYS 77 1HE LYS 77 -7.006 -5.819 -17.852 573 HZ1 LYS 77 3HZ LYS 77 -7.473 -4.475 -15.705 574 HZ2 LYS 77 1HZ LYS 77 -5.916 -4.451 -16.379 575 HZ3 LYS 77 2HZ LYS 77 -6.245 -5.438 -15.033 576 H1 GLY 45 1HT GLY 45 -11.718 3.750 -6.327 577 H2 GLY 45 2HT GLY 45 -12.793 3.398 -7.591 578 H3 GLY 45 3HT GLY 45 -12.735 2.398 -6.219 579 HA2 GLY 45 2HA GLY 45 -14.351 4.641 -6.661 580 HA3 GLY 45 1HA GLY 45 -14.287 3.608 -5.233 581 H THR 46 H THR 46 -13.015 6.525 -6.734 582 HA THR 46 HA THR 46 -11.691 8.236 -5.888 583 HB THR 46 HB THR 46 -12.689 9.290 -3.904 584 HG1 THR 46 1HG THR 46 -14.126 8.223 -2.680 585 HG21 THR 46 3HG2 THR 46 -15.031 9.459 -4.720 586 HG22 THR 46 1HG2 THR 46 -14.731 8.097 -5.800 587 HG23 THR 46 2HG2 THR 46 -13.856 9.612 -6.026 588 H GLY 47 H GLY 47 -9.700 7.195 -5.661 589 HA2 GLY 47 2HA GLY 47 -7.778 6.741 -4.457 590 HA3 GLY 47 1HA GLY 47 -8.674 7.092 -2.980 591 H ALA 48 H ALA 48 -8.935 5.458 -1.662 592 HA ALA 48 HA ALA 48 -8.666 3.299 -0.849 593 HB1 ALA 48 1HB ALA 48 -10.586 1.882 -1.623 594 HB2 ALA 48 2HB ALA 48 -10.932 3.114 -2.838 595 HB3 ALA 48 3HB ALA 48 -11.041 3.511 -1.123 596 H ALA 49 H ALA 49 -9.850 1.777 -3.699 597 HA ALA 49 HA ALA 49 -7.708 -0.046 -3.879 598 HB1 ALA 49 1HB ALA 49 -10.012 -0.438 -4.738 599 HB2 ALA 49 2HB ALA 49 -8.766 -0.800 -5.932 600 HB3 ALA 49 3HB ALA 49 -9.687 0.700 -6.046 601 H LEU 50 H LEU 50 -8.449 2.851 -5.793 602 HA LEU 50 HA LEU 50 -6.298 2.629 -7.618 603 HB2 LEU 50 2HB LEU 50 -8.069 4.872 -6.677 604 HB3 LEU 50 1HB LEU 50 -6.710 5.226 -7.742 605 HG LEU 50 HG LEU 50 -8.572 2.978 -8.485 606 HD11 LEU 50 1HD1 LEU 50 -9.113 5.933 -8.913 607 HD12 LEU 50 2HD1 LEU 50 -10.103 4.816 -7.972 608 HD13 LEU 50 3HD1 LEU 50 -9.981 4.627 -9.721 609 HD21 LEU 50 3HD2 LEU 50 -6.455 3.514 -9.744 610 HD22 LEU 50 1HD2 LEU 50 -7.148 5.087 -10.130 611 HD23 LEU 50 2HD2 LEU 50 -7.912 3.615 -10.729 612 H SER 51 H SER 51 -6.635 4.190 -4.482 613 HA SER 51 HA SER 51 -4.193 5.576 -4.413 614 HB2 SER 51 2HB SER 51 -5.755 6.091 -2.726 615 HB3 SER 51 1HB SER 51 -5.971 4.397 -2.287 616 HG SER 51 HG SER 51 -3.820 6.135 -1.761 617 H TRP 52 H TRP 52 -5.029 2.329 -3.271 618 HA TRP 52 HA TRP 52 -2.372 1.675 -2.461 619 HB2 TRP 52 2HB TRP 52 -4.918 0.121 -2.866 620 HB3 TRP 52 1HB TRP 52 -3.413 -0.705 -2.477 621 HD1 TRP 52 HD TRP 52 -6.316 0.591 -0.817 622 HE1 TRP 52 1HE TRP 52 -5.860 1.162 1.656 623 HE3 TRP 52 3HE TRP 52 -1.200 0.599 -0.828 624 HZ2 TRP 52 2HZ TRP 52 -3.638 1.564 3.393 625 HZ3 TRP 52 3HZ TRP 52 0.052 1.083 1.248 626 HH2 TRP 52 HH TRP 52 -1.149 1.564 3.357 627 H GLN 53 H GLN 53 -4.370 0.851 -5.285 628 HA GLN 53 HA GLN 53 -2.517 -0.809 -6.588 629 HB2 GLN 53 2HB GLN 53 -4.894 -0.644 -7.225 630 HB3 GLN 53 1HB GLN 53 -4.615 0.989 -7.830 631 HG2 GLN 53 2HG GLN 53 -2.944 -1.318 -8.834 632 HG3 GLN 53 1HG GLN 53 -4.536 -1.007 -9.519 633 HE21 GLN 53 1HE2 GLN 53 -1.693 -0.622 -10.652 634 HE22 GLN 53 2HE2 GLN 53 -1.699 0.980 -11.213 635 H ALA 54 H ALA 54 -3.102 2.699 -7.012 636 HA ALA 54 HA ALA 54 -1.100 3.100 -8.972 637 HB1 ALA 54 1HB ALA 54 -2.799 4.768 -8.676 638 HB2 ALA 54 2HB ALA 54 -1.258 5.513 -8.250 639 HB3 ALA 54 3HB ALA 54 -2.365 4.992 -6.981 640 H ALA 55 H ALA 55 -0.995 3.236 -5.432 641 HA ALA 55 HA ALA 55 1.604 4.321 -5.173 642 HB1 ALA 55 1HB ALA 55 -0.083 4.135 -3.338 643 HB2 ALA 55 2HB ALA 55 1.507 3.524 -2.886 644 HB3 ALA 55 3HB ALA 55 0.211 2.398 -3.293 645 H ILE 56 H ILE 56 0.455 0.966 -5.337 646 HA ILE 56 HA ILE 56 2.960 -0.290 -4.950 647 HB ILE 56 HB ILE 56 0.428 -1.207 -6.331 648 HG12 ILE 56 2HG1 ILE 56 1.615 -2.039 -3.671 649 HG13 ILE 56 1HG1 ILE 56 0.459 -0.718 -3.824 650 HG21 ILE 56 1HG2 ILE 56 3.013 -2.661 -5.748 651 HG22 ILE 56 2HG2 ILE 56 2.137 -2.565 -7.276 652 HG23 ILE 56 3HG2 ILE 56 1.484 -3.518 -5.942 653 HD11 ILE 56 3HD1 ILE 56 -1.177 -2.252 -4.845 654 HD12 ILE 56 1HD1 ILE 56 -0.679 -2.840 -3.258 655 HD13 ILE 56 2HD1 ILE 56 -0.020 -3.577 -4.718 656 H ASP 57 H ASP 57 1.216 0.684 -7.878 657 HA ASP 57 HA ASP 57 3.008 -0.369 -9.774 658 HB2 ASP 57 2HB ASP 57 0.783 0.370 -10.402 659 HB3 ASP 57 1HB ASP 57 1.159 2.024 -9.922 660 H ALA 58 H ALA 58 2.808 2.899 -8.361 661 HA ALA 58 HA ALA 58 5.092 3.905 -9.724 662 HB1 ALA 58 1HB ALA 58 3.505 5.475 -8.872 663 HB2 ALA 58 2HB ALA 58 4.983 5.700 -7.939 664 HB3 ALA 58 3HB ALA 58 3.628 4.815 -7.241 665 H ALA 59 H ALA 59 4.619 2.385 -6.559 666 HA ALA 59 HA ALA 59 7.229 2.798 -5.544 667 HB1 ALA 59 1HB ALA 59 5.316 2.098 -4.146 668 HB2 ALA 59 2HB ALA 59 6.672 0.983 -3.977 669 HB3 ALA 59 3HB ALA 59 5.286 0.540 -4.973 670 H ARG 60 H ARG 60 5.799 0.199 -7.468 671 HA ARG 60 HA ARG 60 8.077 -1.489 -7.511 672 HB2 ARG 60 2HB ARG 60 5.687 -1.203 -9.330 673 HB3 ARG 60 1HB ARG 60 6.911 -2.452 -9.551 674 HG2 ARG 60 2HG ARG 60 5.687 -2.109 -6.819 675 HG3 ARG 60 1HG ARG 60 4.747 -2.922 -8.069 676 HD2 ARG 60 2HD ARG 60 7.568 -3.702 -7.269 677 HD3 ARG 60 1HD ARG 60 6.108 -4.519 -6.728 678 HE ARG 60 HE ARG 60 6.043 -4.385 -9.533 679 HH11 ARG 60 1HH2 ARG 60 7.967 -5.831 -7.046 680 HH12 ARG 60 2HH2 ARG 60 8.323 -7.246 -7.980 681 HH21 ARG 60 1HH1 ARG 60 6.501 -6.197 -10.726 682 HH22 ARG 60 2HH1 ARG 60 7.510 -7.446 -10.073 683 H GLN 61 H GLN 61 6.966 1.114 -9.625 684 HA GLN 61 HA GLN 61 8.867 0.759 -11.689 685 HB2 GLN 61 2HB GLN 61 6.874 2.194 -11.938 686 HB3 GLN 61 1HB GLN 61 7.535 3.315 -10.747 687 HG2 GLN 61 2HG GLN 61 9.427 3.818 -12.178 688 HG3 GLN 61 1HG GLN 61 8.949 2.569 -13.324 689 HE21 GLN 61 1HE2 GLN 61 9.249 5.300 -14.136 690 HE22 GLN 61 2HE2 GLN 61 7.717 5.904 -14.546 691 H ALA 62 H ALA 62 8.917 2.635 -8.684 692 HA ALA 62 HA ALA 62 11.398 3.924 -9.072 693 HB1 ALA 62 1HB ALA 62 10.013 4.752 -7.337 694 HB2 ALA 62 2HB ALA 62 11.378 4.003 -6.506 695 HB3 ALA 62 3HB ALA 62 9.834 3.156 -6.609 696 H LYS 63 H LYS 63 10.573 0.879 -7.420 697 HA LYS 63 HA LYS 63 13.231 0.205 -6.689 698 HB2 LYS 63 2HB LYS 63 11.190 -0.791 -5.665 699 HB3 LYS 63 1HB LYS 63 10.895 -1.658 -7.173 700 HG2 LYS 63 2HG LYS 63 13.070 -2.793 -6.964 701 HG3 LYS 63 1HG LYS 63 13.396 -1.911 -5.471 702 HD2 LYS 63 2HD LYS 63 11.400 -2.942 -4.432 703 HD3 LYS 63 1HD LYS 63 11.099 -3.840 -5.919 704 HE2 LYS 63 2HE LYS 63 13.287 -4.952 -5.701 705 HE3 LYS 63 1HE LYS 63 13.597 -4.053 -4.214 706 HZ1 LYS 63 3HZ LYS 63 11.311 -5.898 -4.642 707 HZ2 LYS 63 1HZ LYS 63 11.677 -5.077 -3.206 708 HZ3 LYS 63 2HZ LYS 63 12.724 -6.285 -3.783 709 H LEU 64 H LEU 64 11.282 -0.415 -9.556 710 HA LEU 64 HA LEU 64 12.905 -2.356 -10.765 711 HB2 LEU 64 2HB LEU 64 10.669 -1.929 -11.585 712 HB3 LEU 64 1HB LEU 64 11.091 -0.265 -11.991 713 HG LEU 64 HG LEU 64 12.673 -1.042 -13.691 714 HD11 LEU 64 1HD1 LEU 64 12.542 -3.615 -14.171 715 HD12 LEU 64 2HD1 LEU 64 12.009 -3.727 -12.493 716 HD13 LEU 64 3HD1 LEU 64 13.590 -3.040 -12.878 717 HD21 LEU 64 3HD2 LEU 64 10.365 -0.789 -14.416 718 HD22 LEU 64 1HD2 LEU 64 9.979 -2.413 -13.850 719 HD23 LEU 64 2HD2 LEU 64 11.074 -2.194 -15.214 720 H MET 65 H MET 65 12.961 1.186 -11.043 721 HA MET 65 HA MET 65 15.070 1.296 -12.944 722 HB2 MET 65 2HB MET 65 14.015 3.321 -10.972 723 HB3 MET 65 1HB MET 65 15.266 3.690 -12.158 724 HG2 MET 65 2HG MET 65 13.699 2.899 -13.959 725 HG3 MET 65 1HG MET 65 12.444 2.737 -12.732 726 HE1 MET 65 3HE MET 65 11.513 6.111 -11.593 727 HE2 MET 65 1HE MET 65 12.894 5.356 -10.788 728 HE3 MET 65 2HE MET 65 11.548 4.370 -11.353 729 H GLY 66 H GLY 66 15.013 1.265 -9.410 730 HA2 GLY 66 2HA GLY 66 16.769 0.421 -8.068 731 HA3 GLY 66 1HA GLY 66 17.892 0.665 -9.398 732 H SER 67 H SER 67 15.967 3.395 -9.079 733 HA SER 67 HA SER 67 18.134 5.006 -8.133 734 HB2 SER 67 2HB SER 67 15.233 5.825 -8.296 735 HB3 SER 67 1HB SER 67 16.652 6.865 -8.372 736 HG SER 67 HG SER 67 15.407 5.505 -10.342 737 H ALA 68 H ALA 68 18.381 6.071 -6.187 738 HA ALA 68 HA ALA 68 16.542 6.040 -4.036 739 HB1 ALA 68 1HB ALA 68 17.745 4.448 -2.548 740 HB2 ALA 68 2HB ALA 68 18.750 3.968 -3.915 741 HB3 ALA 68 3HB ALA 68 17.015 3.650 -3.942 Start of MODEL 4 1 H1 ALA 1 1HT ALA 1 -5.881 -24.468 -2.667 2 H2 ALA 1 2HT ALA 1 -5.733 -22.778 -2.720 3 H3 ALA 1 3HT ALA 1 -5.424 -23.615 -1.275 4 HA ALA 1 HA ALA 1 -3.308 -23.128 -2.095 5 HB1 ALA 1 2HB ALA 1 -3.820 -25.585 -1.520 6 HB2 ALA 1 3HB ALA 1 -2.388 -25.291 -2.504 7 HB3 ALA 1 1HB ALA 1 -3.874 -25.864 -3.262 8 H ASP 2 H ASP 2 -5.735 -23.636 -4.399 9 HA ASP 2 HA ASP 2 -4.042 -23.507 -6.746 10 HB2 ASP 2 2HB ASP 2 -6.189 -24.813 -6.585 11 HB3 ASP 2 1HB ASP 2 -7.049 -23.276 -6.558 12 H GLN 3 H GLN 3 -4.495 -21.253 -4.600 13 HA GLN 3 HA GLN 3 -4.655 -19.067 -6.583 14 HB2 GLN 3 2HB GLN 3 -5.997 -17.743 -4.944 15 HB3 GLN 3 1HB GLN 3 -6.860 -19.144 -5.580 16 HG2 GLN 3 2HG GLN 3 -6.253 -20.435 -3.568 17 HG3 GLN 3 1HG GLN 3 -5.399 -19.034 -2.926 18 HE21 GLN 3 1HE2 GLN 3 -7.333 -19.815 -1.246 19 HE22 GLN 3 2HE2 GLN 3 -8.732 -18.864 -1.379 20 H LEU 4 H LEU 4 -4.133 -16.916 -5.229 21 HA LEU 4 HA LEU 4 -2.245 -15.768 -4.505 22 HB2 LEU 4 2HB LEU 4 -3.693 -16.240 -2.498 23 HB3 LEU 4 1HB LEU 4 -2.621 -17.594 -2.145 24 HG LEU 4 HG LEU 4 -0.731 -15.697 -2.432 25 HD11 LEU 4 1HD1 LEU 4 -1.497 -13.560 -1.580 26 HD12 LEU 4 2HD1 LEU 4 -3.142 -14.165 -1.434 27 HD13 LEU 4 3HD1 LEU 4 -2.410 -13.974 -3.028 28 HD21 LEU 4 3HD2 LEU 4 -0.926 -16.975 -0.448 29 HD22 LEU 4 1HD2 LEU 4 -2.466 -16.229 -0.028 30 HD23 LEU 4 2HD2 LEU 4 -0.984 -15.284 0.048 31 H THR 5 H THR 5 -0.844 -16.785 -6.037 32 HA THR 5 HA THR 5 0.808 -19.023 -5.322 33 HB THR 5 HB THR 5 0.223 -18.394 -7.715 34 HG1 THR 5 1HG THR 5 2.077 -19.721 -6.955 35 HG21 THR 5 3HG2 THR 5 1.309 -16.600 -8.785 36 HG22 THR 5 1HG2 THR 5 2.503 -16.452 -7.502 37 HG23 THR 5 2HG2 THR 5 0.851 -15.911 -7.228 38 H GLU 6 H GLU 6 3.349 -18.408 -5.990 39 HA GLU 6 HA GLU 6 4.339 -17.195 -3.654 40 HB2 GLU 6 2HB GLU 6 5.601 -18.839 -5.021 41 HB3 GLU 6 1HB GLU 6 5.783 -17.616 -6.278 42 HG2 GLU 6 2HG GLU 6 6.990 -16.157 -4.704 43 HG3 GLU 6 1HG GLU 6 6.791 -17.357 -3.429 44 H GLU 7 H GLU 7 4.055 -15.953 -6.949 45 HA GLU 7 HA GLU 7 5.268 -13.521 -6.762 46 HB2 GLU 7 2HB GLU 7 4.251 -14.268 -8.824 47 HB3 GLU 7 1HB GLU 7 2.645 -14.229 -8.100 48 HG2 GLU 7 2HG GLU 7 2.730 -11.838 -7.872 49 HG3 GLU 7 1HG GLU 7 4.412 -11.803 -8.408 50 H GLN 8 H GLN 8 1.774 -13.972 -6.136 51 HA GLN 8 HA GLN 8 1.149 -11.522 -5.188 52 HB2 GLN 8 2HB GLN 8 -0.019 -14.115 -5.154 53 HB3 GLN 8 1HB GLN 8 -0.228 -13.456 -3.538 54 HG2 GLN 8 2HG GLN 8 -0.997 -12.016 -6.097 55 HG3 GLN 8 1HG GLN 8 -2.118 -12.893 -5.063 56 HE21 GLN 8 1HE2 GLN 8 -1.041 -12.073 -2.501 57 HE22 GLN 8 2HE2 GLN 8 -1.326 -10.408 -2.333 58 H ILE 9 H ILE 9 2.063 -14.207 -2.983 59 HA ILE 9 HA ILE 9 2.060 -12.645 -0.681 60 HB ILE 9 HB ILE 9 3.686 -14.400 0.223 61 HG12 ILE 9 2HG1 ILE 9 3.207 -15.494 -2.559 62 HG13 ILE 9 1HG1 ILE 9 4.750 -15.028 -1.880 63 HG21 ILE 9 1HG2 ILE 9 1.200 -15.466 -1.136 64 HG22 ILE 9 2HG2 ILE 9 1.169 -14.506 0.344 65 HG23 ILE 9 3HG2 ILE 9 1.957 -16.078 0.334 66 HD11 ILE 9 3HD1 ILE 9 4.988 -17.170 -1.302 67 HD12 ILE 9 1HD1 ILE 9 3.285 -17.494 -1.572 68 HD13 ILE 9 2HD1 ILE 9 3.819 -16.846 -0.026 69 H ALA 10 H ALA 10 4.840 -13.464 -2.764 70 HA ALA 10 HA ALA 10 6.752 -11.991 -1.368 71 HB1 ALA 10 1HB ALA 10 7.046 -13.643 -3.323 72 HB2 ALA 10 2HB ALA 10 8.123 -12.245 -3.270 73 HB3 ALA 10 3HB ALA 10 6.740 -12.255 -4.362 74 H GLU 11 H GLU 11 4.452 -11.059 -3.850 75 HA GLU 11 HA GLU 11 5.387 -8.461 -4.391 76 HB2 GLU 11 2HB GLU 11 3.710 -9.709 -5.759 77 HB3 GLU 11 1HB GLU 11 2.526 -9.439 -4.486 78 HG2 GLU 11 2HG GLU 11 2.754 -7.017 -4.736 79 HG3 GLU 11 1HG GLU 11 3.996 -7.249 -5.967 80 H PHE 12 H PHE 12 2.953 -9.605 -2.035 81 HA PHE 12 HA PHE 12 2.312 -7.027 -1.064 82 HB2 PHE 12 2HB PHE 12 0.697 -8.262 -0.066 83 HB3 PHE 12 1HB PHE 12 1.513 -9.731 -0.582 84 HD1 PHE 12 1HD PHE 12 1.575 -7.110 2.087 85 HD2 PHE 12 2HD PHE 12 2.458 -11.165 1.025 86 HE1 PHE 12 1HE PHE 12 2.147 -7.601 4.438 87 HE2 PHE 12 2HE PHE 12 3.035 -11.664 3.375 88 HZ PHE 12 HZ PHE 12 2.885 -9.884 5.087 89 H LYS 13 H LYS 13 4.645 -9.462 0.039 90 HA LYS 13 HA LYS 13 5.493 -8.205 2.357 91 HB2 LYS 13 2HB LYS 13 6.128 -10.506 1.751 92 HB3 LYS 13 1HB LYS 13 7.117 -9.890 0.431 93 HG2 LYS 13 2HG LYS 13 8.506 -10.410 2.397 94 HG3 LYS 13 1HG LYS 13 8.535 -8.681 2.064 95 HD2 LYS 13 2HD LYS 13 7.179 -8.163 3.897 96 HD3 LYS 13 1HD LYS 13 6.481 -9.774 3.974 97 HE2 LYS 13 2HE LYS 13 8.386 -10.672 4.998 98 HE3 LYS 13 1HE LYS 13 9.404 -9.317 4.506 99 HZ1 LYS 13 3HZ LYS 13 7.932 -7.894 5.923 100 HZ2 LYS 13 1HZ LYS 13 8.904 -8.991 6.777 101 HZ3 LYS 13 2HZ LYS 13 7.256 -9.320 6.544 102 H GLU 14 H GLU 14 6.654 -7.865 -0.975 103 HA GLU 14 HA GLU 14 8.765 -6.074 -0.429 104 HB2 GLU 14 2HB GLU 14 7.060 -6.501 -2.877 105 HB3 GLU 14 1HB GLU 14 8.446 -5.418 -2.851 106 HG2 GLU 14 2HG GLU 14 8.573 -8.364 -2.145 107 HG3 GLU 14 1HG GLU 14 8.983 -7.710 -3.726 108 H ALA 15 H ALA 15 5.472 -5.399 -1.677 109 HA ALA 15 HA ALA 15 5.617 -2.622 -1.614 110 HB1 ALA 15 1HB ALA 15 3.046 -3.984 -0.879 111 HB2 ALA 15 2HB ALA 15 3.750 -4.289 -2.463 112 HB3 ALA 15 3HB ALA 15 3.327 -2.645 -1.994 113 H PHE 16 H PHE 16 4.529 -4.849 0.936 114 HA PHE 16 HA PHE 16 3.830 -2.949 2.856 115 HB2 PHE 16 2HB PHE 16 3.206 -5.039 3.558 116 HB3 PHE 16 1HB PHE 16 4.607 -5.815 2.851 117 HD1 PHE 16 1HD PHE 16 6.729 -5.904 4.006 118 HD2 PHE 16 2HD PHE 16 3.271 -4.157 5.855 119 HE1 PHE 16 1HE PHE 16 7.870 -5.986 6.204 120 HE2 PHE 16 2HE PHE 16 4.415 -4.237 8.057 121 HZ PHE 16 HZ PHE 16 6.717 -5.150 8.212 122 H SER 17 H SER 17 6.960 -4.589 2.425 123 HA SER 17 HA SER 17 8.347 -3.326 4.477 124 HB2 SER 17 2HB SER 17 9.078 -5.298 2.996 125 HB3 SER 17 1HB SER 17 9.629 -4.071 1.852 126 HG SER 17 HG SER 17 10.419 -3.437 4.338 127 H LEU 18 H LEU 18 7.709 -2.250 1.179 128 HA LEU 18 HA LEU 18 9.519 -0.061 1.178 129 HB2 LEU 18 2HB LEU 18 6.980 -0.564 -0.375 130 HB3 LEU 18 1HB LEU 18 8.022 0.827 -0.658 131 HG LEU 18 HG LEU 18 8.951 -2.056 -0.794 132 HD11 LEU 18 1HD1 LEU 18 8.517 -0.194 -3.132 133 HD12 LEU 18 2HD1 LEU 18 7.261 -1.293 -2.569 134 HD13 LEU 18 3HD1 LEU 18 8.788 -1.937 -3.161 135 HD21 LEU 18 3HD2 LEU 18 10.795 -0.706 -2.200 136 HD22 LEU 18 1HD2 LEU 18 10.925 -0.902 -0.457 137 HD23 LEU 18 2HD2 LEU 18 10.297 0.602 -1.133 138 H PHE 19 H PHE 19 6.096 -0.295 2.076 139 HA PHE 19 HA PHE 19 5.784 2.489 2.564 140 HB2 PHE 19 2HB PHE 19 4.209 0.122 3.538 141 HB3 PHE 19 1HB PHE 19 3.704 1.798 3.740 142 HD1 PHE 19 2HD PHE 19 3.903 3.230 1.433 143 HD2 PHE 19 1HD PHE 19 3.335 -1.015 1.713 144 HE1 PHE 19 2HE PHE 19 2.961 3.197 -0.860 145 HE2 PHE 19 1HE PHE 19 2.406 -1.050 -0.559 146 HZ PHE 19 HZ PHE 19 2.212 1.055 -1.863 147 H ASP 20 H ASP 20 6.198 -0.251 4.836 148 HA ASP 20 HA ASP 20 6.244 1.320 7.168 149 HB2 ASP 20 2HB ASP 20 6.045 -1.217 6.979 150 HB3 ASP 20 1HB ASP 20 7.798 -1.239 6.795 151 H LYS 21 H LYS 21 7.540 3.163 6.334 152 HA LYS 21 HA LYS 21 10.279 2.944 5.672 153 HB2 LYS 21 2HB LYS 21 9.174 5.317 7.165 154 HB3 LYS 21 1HB LYS 21 10.408 5.286 5.911 155 HG2 LYS 21 2HG LYS 21 7.438 4.839 5.577 156 HG3 LYS 21 1HG LYS 21 8.382 6.169 4.944 157 HD2 LYS 21 2HD LYS 21 8.656 3.264 4.095 158 HD3 LYS 21 1HD LYS 21 7.881 4.535 3.178 159 HE2 LYS 21 2HE LYS 21 10.102 5.804 3.308 160 HE3 LYS 21 1HE LYS 21 10.811 4.286 3.855 161 HZ1 LYS 21 3HZ LYS 21 9.427 4.798 1.289 162 HZ2 LYS 21 1HZ LYS 21 9.829 3.244 1.836 163 HZ3 LYS 21 2HZ LYS 21 11.056 4.376 1.521 164 H ASP 22 H ASP 22 8.800 3.769 8.826 165 HA ASP 22 HA ASP 22 11.226 3.807 10.252 166 HB2 ASP 22 2HB ASP 22 9.747 3.522 12.254 167 HB3 ASP 22 1HB ASP 22 9.213 4.803 11.166 168 H GLY 23 H GLY 23 9.394 1.237 8.950 169 HA2 GLY 23 2HA GLY 23 9.671 -1.042 8.971 170 HA3 GLY 23 1HA GLY 23 11.289 -0.736 9.581 171 H ASP 24 H ASP 24 8.136 -0.009 11.103 172 HA ASP 24 HA ASP 24 9.066 -1.386 13.524 173 HB2 ASP 24 2HB ASP 24 7.347 -0.251 14.684 174 HB3 ASP 24 1HB ASP 24 8.004 0.923 13.551 175 H GLY 25 H GLY 25 7.429 -2.247 10.781 176 HA2 GLY 25 2HA GLY 25 6.646 -4.486 10.444 177 HA3 GLY 25 1HA GLY 25 6.185 -4.560 12.137 178 H THR 26 H THR 26 5.332 -1.591 10.855 179 HA THR 26 HA THR 26 2.704 -2.454 9.864 180 HB THR 26 HB THR 26 1.763 -0.552 11.412 181 HG1 THR 26 1HG THR 26 4.038 -0.157 12.100 182 HG21 THR 26 3HG2 THR 26 1.296 -2.205 13.169 183 HG22 THR 26 1HG2 THR 26 2.581 -3.240 12.540 184 HG23 THR 26 2HG2 THR 26 1.138 -2.932 11.569 185 H ILE 27 H ILE 27 1.431 -0.421 9.191 186 HA ILE 27 HA ILE 27 3.292 1.546 7.965 187 HB ILE 27 HB ILE 27 0.814 0.332 6.778 188 HG12 ILE 27 2HG1 ILE 27 3.633 0.348 5.736 189 HG13 ILE 27 1HG1 ILE 27 2.986 -0.966 6.713 190 HG21 ILE 27 1HG2 ILE 27 0.720 2.585 6.093 191 HG22 ILE 27 2HG2 ILE 27 1.590 1.794 4.780 192 HG23 ILE 27 3HG2 ILE 27 2.478 2.713 5.996 193 HD11 ILE 27 3HD1 ILE 27 1.816 0.001 4.073 194 HD12 ILE 27 1HD1 ILE 27 1.171 -1.306 5.071 195 HD13 ILE 27 2HD1 ILE 27 2.748 -1.489 4.307 196 H THR 28 H THR 28 2.743 3.670 8.136 197 HA THR 28 HA THR 28 0.246 4.296 9.622 198 HB THR 28 HB THR 28 2.912 5.726 9.763 199 HG1 THR 28 1HG THR 28 1.561 4.114 11.664 200 HG21 THR 28 3HG2 THR 28 1.292 7.358 10.228 201 HG22 THR 28 1HG2 THR 28 1.660 6.713 11.826 202 HG23 THR 28 2HG2 THR 28 0.198 6.199 10.987 203 H THR 29 H THR 29 -0.438 6.599 9.345 204 HA THR 29 HA THR 29 -1.039 7.132 6.652 205 HB THR 29 HB THR 29 -1.940 9.246 7.462 206 HG1 THR 29 1HG THR 29 -1.363 10.072 9.368 207 HG21 THR 29 3HG2 THR 29 -3.303 7.319 7.964 208 HG22 THR 29 1HG2 THR 29 -3.328 8.363 9.380 209 HG23 THR 29 2HG2 THR 29 -2.315 6.918 9.365 210 H LYS 30 H LYS 30 1.369 8.518 8.836 211 HA LYS 30 HA LYS 30 2.364 10.462 7.008 212 HB2 LYS 30 2HB LYS 30 3.582 9.230 9.488 213 HB3 LYS 30 1HB LYS 30 4.282 10.590 8.607 214 HG2 LYS 30 2HG LYS 30 2.226 11.900 8.965 215 HG3 LYS 30 1HG LYS 30 1.502 10.540 9.824 216 HD2 LYS 30 2HD LYS 30 3.262 10.657 11.533 217 HD3 LYS 30 1HD LYS 30 4.032 11.985 10.666 218 HE2 LYS 30 2HE LYS 30 2.754 13.071 12.330 219 HE3 LYS 30 1HE LYS 30 1.742 13.188 10.890 220 HZ1 LYS 30 3HZ LYS 30 0.517 11.249 11.625 221 HZ2 LYS 30 1HZ LYS 30 0.484 12.448 12.824 222 HZ3 LYS 30 2HZ LYS 30 1.509 11.105 12.997 223 H GLU 31 H GLU 31 3.376 7.167 7.866 224 HA GLU 31 HA GLU 31 5.761 7.063 6.390 225 HB2 GLU 31 2HB GLU 31 3.749 4.934 7.141 226 HB3 GLU 31 1HB GLU 31 5.251 4.557 6.301 227 HG2 GLU 31 2HG GLU 31 6.557 5.523 8.123 228 HG3 GLU 31 1HG GLU 31 5.086 6.039 8.938 229 H LEU 32 H LEU 32 2.541 5.848 5.438 230 HA LEU 32 HA LEU 32 3.206 5.387 2.735 231 HB2 LEU 32 2HB LEU 32 1.300 4.342 3.658 232 HB3 LEU 32 1HB LEU 32 0.579 5.864 4.147 233 HG LEU 32 HG LEU 32 0.381 6.448 1.688 234 HD11 LEU 32 1HD1 LEU 32 2.090 5.053 0.741 235 HD12 LEU 32 2HD1 LEU 32 0.545 4.453 0.144 236 HD13 LEU 32 3HD1 LEU 32 1.371 3.603 1.453 237 HD21 LEU 32 3HD2 LEU 32 -1.584 5.629 2.749 238 HD22 LEU 32 1HD2 LEU 32 -0.960 3.981 2.792 239 HD23 LEU 32 2HD2 LEU 32 -1.425 4.705 1.254 240 H GLY 33 H GLY 33 1.559 8.133 4.294 241 HA2 GLY 33 2HA GLY 33 0.985 9.683 2.091 242 HA3 GLY 33 1HA GLY 33 1.430 10.352 3.659 243 H THR 34 H THR 34 4.051 9.475 3.871 244 HA THR 34 HA THR 34 5.448 11.427 2.399 245 HB THR 34 HB THR 34 6.647 8.946 3.647 246 HG1 THR 34 1HG THR 34 5.149 10.713 4.809 247 HG21 THR 34 3HG2 THR 34 8.583 10.424 3.989 248 HG22 THR 34 1HG2 THR 34 7.714 11.753 3.222 249 HG23 THR 34 2HG2 THR 34 8.166 10.333 2.277 250 H VAL 35 H VAL 35 5.179 7.880 1.951 251 HA VAL 35 HA VAL 35 6.857 7.689 -0.288 252 HB VAL 35 HB VAL 35 4.448 6.005 0.480 253 HG11 VAL 35 1HG1 VAL 35 4.981 5.467 -1.773 254 HG12 VAL 35 2HG1 VAL 35 5.822 4.248 -0.816 255 HG13 VAL 35 3HG1 VAL 35 6.714 5.615 -1.488 256 HG21 VAL 35 3HG2 VAL 35 5.935 4.658 1.729 257 HG22 VAL 35 1HG2 VAL 35 6.399 6.301 2.152 258 HG23 VAL 35 2HG2 VAL 35 7.365 5.387 0.994 259 H MET 36 H MET 36 3.448 8.443 0.051 260 HA MET 36 HA MET 36 2.817 8.277 -2.750 261 HB2 MET 36 2HB MET 36 1.450 9.760 -0.503 262 HB3 MET 36 1HB MET 36 0.802 9.624 -2.140 263 HG2 MET 36 2HG MET 36 0.880 7.152 -1.948 264 HG3 MET 36 1HG MET 36 1.470 7.311 -0.300 265 HE1 MET 36 3HE MET 36 -2.640 8.109 -2.032 266 HE2 MET 36 1HE MET 36 -1.766 6.581 -2.212 267 HE3 MET 36 2HE MET 36 -1.080 8.078 -2.843 268 H ARG 37 H ARG 37 3.516 11.049 -0.649 269 HA ARG 37 HA ARG 37 3.450 13.015 -2.711 270 HB2 ARG 37 2HB ARG 37 3.216 13.579 -0.336 271 HB3 ARG 37 1HB ARG 37 4.919 13.176 -0.094 272 HG2 ARG 37 2HG ARG 37 5.602 14.893 -1.678 273 HG3 ARG 37 1HG ARG 37 3.916 15.239 -2.076 274 HD2 ARG 37 2HD ARG 37 3.522 15.846 0.287 275 HD3 ARG 37 1HD ARG 37 5.228 15.601 0.607 276 HE ARG 37 HE ARG 37 4.032 17.833 -0.850 277 HH11 ARG 37 1HH2 ARG 37 6.875 16.054 0.028 278 HH12 ARG 37 2HH2 ARG 37 7.968 17.340 -0.361 279 HH21 ARG 37 1HH1 ARG 37 5.466 19.522 -1.368 280 HH22 ARG 37 2HH1 ARG 37 7.173 19.301 -1.152 281 H SER 38 H SER 38 6.156 11.340 -1.135 282 HA SER 38 HA SER 38 8.290 12.490 -2.443 283 HB2 SER 38 2HB SER 38 9.494 10.375 -2.058 284 HB3 SER 38 1HB SER 38 8.543 10.831 -0.648 285 HG SER 38 HG SER 38 8.306 8.683 -2.335 286 H LEU 39 H LEU 39 5.933 10.247 -3.709 287 HA LEU 39 HA LEU 39 7.470 9.617 -6.084 288 HB2 LEU 39 2HB LEU 39 4.632 9.041 -5.241 289 HB3 LEU 39 1HB LEU 39 5.310 8.504 -6.773 290 HG LEU 39 HG LEU 39 6.694 7.901 -4.149 291 HD11 LEU 39 1HD1 LEU 39 5.530 5.757 -4.067 292 HD12 LEU 39 2HD1 LEU 39 4.648 6.143 -5.541 293 HD13 LEU 39 3HD1 LEU 39 4.336 7.051 -4.068 294 HD21 LEU 39 3HD2 LEU 39 7.415 5.872 -5.582 295 HD22 LEU 39 1HD2 LEU 39 8.113 7.426 -6.003 296 HD23 LEU 39 2HD2 LEU 39 6.790 6.767 -6.961 297 H GLY 40 H GLY 40 5.534 12.204 -5.093 298 HA2 GLY 40 2HA GLY 40 5.296 14.199 -6.326 299 HA3 GLY 40 1HA GLY 40 5.534 13.294 -7.814 300 H GLN 41 H GLN 41 3.346 11.886 -5.583 301 HA GLN 41 HA GLN 41 1.141 12.306 -7.411 302 HB2 GLN 41 2HB GLN 41 1.399 10.810 -4.798 303 HB3 GLN 41 1HB GLN 41 -0.095 10.914 -5.711 304 HG2 GLN 41 2HG GLN 41 0.990 9.906 -7.669 305 HG3 GLN 41 1HG GLN 41 2.521 9.841 -6.797 306 HE21 GLN 41 1HE2 GLN 41 2.037 7.393 -7.479 307 HE22 GLN 41 2HE2 GLN 41 1.224 6.473 -6.305 308 H ASN 42 H ASN 42 -0.480 13.719 -7.232 309 HA ASN 42 HA ASN 42 -0.451 16.056 -5.894 310 HB2 ASN 42 2HB ASN 42 -2.680 14.328 -6.868 311 HB3 ASN 42 1HB ASN 42 -3.126 15.715 -5.893 312 HD21 ASN 42 1HD2 ASN 42 -1.136 14.868 -8.773 313 HD22 ASN 42 2HD2 ASN 42 -1.397 16.345 -9.569 314 HA PRO 43 HA PRO 43 -1.000 15.478 -1.564 315 HB2 PRO 43 2HB PRO 43 -2.759 17.545 -0.938 316 HB3 PRO 43 1HB PRO 43 -1.019 17.756 -1.205 317 HG2 PRO 43 2HG PRO 43 -3.288 18.224 -3.088 318 HG3 PRO 43 1HG PRO 43 -1.813 19.179 -2.839 319 HD2 PRO 43 2HD PRO 43 -2.071 17.508 -4.946 320 HD3 PRO 43 1HD PRO 43 -0.510 17.747 -4.151 321 H THR 44 H THR 44 -2.083 13.777 -0.789 322 HA THR 44 HA THR 44 -4.997 13.838 -0.650 323 HB THR 44 HB THR 44 -4.330 12.723 -2.845 324 HG1 THR 44 1HG THR 44 -5.678 10.779 -2.154 325 HG21 THR 44 3HG2 THR 44 -3.341 10.575 -2.821 326 HG22 THR 44 1HG2 THR 44 -3.571 10.398 -1.081 327 HG23 THR 44 2HG2 THR 44 -2.361 11.522 -1.700 328 H GLU 45 H GLU 45 -2.286 13.613 0.936 329 HA GLU 45 HA GLU 45 -2.249 11.231 2.390 330 HB2 GLU 45 2HB GLU 45 -0.460 12.896 2.523 331 HB3 GLU 45 1HB GLU 45 -1.555 14.041 3.299 332 HG2 GLU 45 2HG GLU 45 -1.807 12.558 5.217 333 HG3 GLU 45 1HG GLU 45 -0.818 11.328 4.431 334 H ALA 46 H ALA 46 -4.516 13.799 2.403 335 HA ALA 46 HA ALA 46 -5.576 13.348 5.047 336 HB1 ALA 46 1HB ALA 46 -5.759 15.508 3.751 337 HB2 ALA 46 2HB ALA 46 -7.270 14.923 4.447 338 HB3 ALA 46 3HB ALA 46 -6.948 14.704 2.727 339 H GLU 47 H GLU 47 -6.432 12.417 1.758 340 HA GLU 47 HA GLU 47 -8.848 11.104 2.265 341 HB2 GLU 47 2HB GLU 47 -6.702 10.784 0.183 342 HB3 GLU 47 1HB GLU 47 -8.074 9.697 0.203 343 HG2 GLU 47 2HG GLU 47 -8.289 12.728 0.121 344 HG3 GLU 47 1HG GLU 47 -8.375 11.697 -1.304 345 H LEU 48 H LEU 48 -5.529 9.826 2.193 346 HA LEU 48 HA LEU 48 -6.162 7.163 2.832 347 HB2 LEU 48 2HB LEU 48 -3.749 8.905 3.094 348 HB3 LEU 48 1HB LEU 48 -3.710 7.295 3.821 349 HG LEU 48 HG LEU 48 -2.790 7.376 1.492 350 HD11 LEU 48 1HD1 LEU 48 -3.635 5.307 0.910 351 HD12 LEU 48 2HD1 LEU 48 -5.296 5.736 1.273 352 HD13 LEU 48 3HD1 LEU 48 -4.173 5.369 2.583 353 HD21 LEU 48 3HD2 LEU 48 -4.406 9.163 0.740 354 HD22 LEU 48 1HD2 LEU 48 -5.656 7.921 0.672 355 HD23 LEU 48 2HD2 LEU 48 -4.249 7.809 -0.378 356 H GLN 49 H GLN 49 -5.124 9.841 4.949 357 HA GLN 49 HA GLN 49 -5.163 8.608 7.397 358 HB2 GLN 49 2HB GLN 49 -6.016 11.366 6.546 359 HB3 GLN 49 1HB GLN 49 -6.129 10.882 8.239 360 HG2 GLN 49 2HG GLN 49 -3.765 10.393 8.318 361 HG3 GLN 49 1HG GLN 49 -3.596 10.672 6.590 362 HE21 GLN 49 1HE2 GLN 49 -3.262 12.155 9.609 363 HE22 GLN 49 2HE2 GLN 49 -3.286 13.774 9.100 364 H ASP 50 H ASP 50 -7.958 9.764 5.568 365 HA ASP 50 HA ASP 50 -9.880 9.100 7.579 366 HB2 ASP 50 2HB ASP 50 -10.181 10.766 5.701 367 HB3 ASP 50 1HB ASP 50 -10.369 9.389 4.613 368 H MET 51 H MET 51 -8.613 7.423 4.710 369 HA MET 51 HA MET 51 -10.438 5.236 4.835 370 HB2 MET 51 2HB MET 51 -7.768 5.637 3.499 371 HB3 MET 51 1HB MET 51 -8.642 4.112 3.392 372 HG2 MET 51 2HG MET 51 -10.612 5.324 2.493 373 HG3 MET 51 1HG MET 51 -9.696 6.828 2.551 374 HE1 MET 51 3HE MET 51 -9.357 7.615 0.106 375 HE2 MET 51 1HE MET 51 -7.830 7.018 -0.560 376 HE3 MET 51 2HE MET 51 -7.923 7.532 1.122 377 H ILE 52 H ILE 52 -7.110 5.682 6.015 378 HA ILE 52 HA ILE 52 -6.795 3.078 7.043 379 HB ILE 52 HB ILE 52 -5.476 5.700 7.754 380 HG12 ILE 52 2HG1 ILE 52 -4.429 3.238 6.323 381 HG13 ILE 52 1HG1 ILE 52 -5.069 4.650 5.499 382 HG21 ILE 52 1HG2 ILE 52 -3.771 4.179 8.901 383 HG22 ILE 52 2HG2 ILE 52 -5.008 2.927 8.857 384 HG23 ILE 52 3HG2 ILE 52 -5.293 4.415 9.753 385 HD11 ILE 52 3HD1 ILE 52 -2.469 4.396 5.952 386 HD12 ILE 52 1HD1 ILE 52 -2.891 5.042 7.533 387 HD13 ILE 52 2HD1 ILE 52 -3.252 5.972 6.076 388 H ASN 53 H ASN 53 -8.003 6.064 8.477 389 HA ASN 53 HA ASN 53 -8.301 5.313 11.117 390 HB2 ASN 53 2HB ASN 53 -8.770 7.573 10.249 391 HB3 ASN 53 1HB ASN 53 -10.217 6.963 9.452 392 HD21 ASN 53 1HD2 ASN 53 -9.508 8.789 12.004 393 HD22 ASN 53 2HD2 ASN 53 -10.666 8.260 13.125 394 H GLU 54 H GLU 54 -10.095 4.232 8.323 395 HA GLU 54 HA GLU 54 -12.139 2.934 10.005 396 HB2 GLU 54 2HB GLU 54 -11.912 3.328 7.013 397 HB3 GLU 54 1HB GLU 54 -13.206 2.416 7.794 398 HG2 GLU 54 2HG GLU 54 -13.873 4.387 9.075 399 HG3 GLU 54 1HG GLU 54 -12.528 5.307 8.407 400 H VAL 55 H VAL 55 -9.572 2.140 7.677 401 HA VAL 55 HA VAL 55 -10.098 -0.621 7.490 402 HB VAL 55 HB VAL 55 -7.482 0.861 7.191 403 HG11 VAL 55 1HG1 VAL 55 -8.308 -1.960 6.480 404 HG12 VAL 55 2HG1 VAL 55 -6.984 -1.468 7.533 405 HG13 VAL 55 3HG1 VAL 55 -6.888 -1.171 5.804 406 HG21 VAL 55 3HG2 VAL 55 -9.241 -0.203 4.979 407 HG22 VAL 55 1HG2 VAL 55 -7.972 1.033 4.886 408 HG23 VAL 55 2HG2 VAL 55 -9.525 1.390 5.664 409 H ASP 56 H ASP 56 -7.934 1.156 9.722 410 HA ASP 56 HA ASP 56 -6.659 -0.940 10.966 411 HB2 ASP 56 2HB ASP 56 -6.403 1.548 11.428 412 HB3 ASP 56 1HB ASP 56 -7.792 1.397 12.505 413 H ALA 57 H ALA 57 -7.232 -2.617 12.185 414 HA ALA 57 HA ALA 57 -9.998 -3.171 12.696 415 HB1 ALA 57 1HB ALA 57 -9.122 -5.251 13.737 416 HB2 ALA 57 2HB ALA 57 -7.483 -4.633 13.519 417 HB3 ALA 57 3HB ALA 57 -8.494 -4.975 12.114 418 H ASP 58 H ASP 58 -7.227 -2.329 14.772 419 HA ASP 58 HA ASP 58 -8.969 -2.331 17.146 420 HB2 ASP 58 2HB ASP 58 -5.982 -1.950 16.840 421 HB3 ASP 58 1HB ASP 58 -6.845 -1.926 18.376 422 H GLY 59 H GLY 59 -8.309 -0.183 14.755 423 HA2 GLY 59 2HA GLY 59 -8.692 2.097 14.596 424 HA3 GLY 59 1HA GLY 59 -9.195 2.077 16.286 425 H ASN 60 H ASN 60 -6.134 0.759 15.361 426 HA ASN 60 HA ASN 60 -4.693 2.503 17.113 427 HB2 ASN 60 2HB ASN 60 -3.949 0.270 15.233 428 HB3 ASN 60 1HB ASN 60 -2.706 1.228 16.033 429 HD21 ASN 60 1HD2 ASN 60 -2.935 -1.532 16.621 430 HD22 ASN 60 2HD2 ASN 60 -3.509 -1.712 18.208 431 H GLY 61 H GLY 61 -5.499 2.483 13.766 432 HA2 GLY 61 2HA GLY 61 -5.282 4.286 12.286 433 HA3 GLY 61 1HA GLY 61 -4.122 5.025 13.380 434 H THR 62 H THR 62 -3.686 1.690 12.624 435 HA THR 62 HA THR 62 -1.602 2.329 10.612 436 HB THR 62 HB THR 62 -0.109 0.739 11.675 437 HG1 THR 62 1HG THR 62 -1.010 -0.699 12.885 438 HG21 THR 62 3HG2 THR 62 0.244 1.954 13.857 439 HG22 THR 62 1HG2 THR 62 -1.257 2.821 13.540 440 HG23 THR 62 2HG2 THR 62 0.115 3.006 12.448 441 H ILE 63 H ILE 63 -1.120 0.653 9.138 442 HA ILE 63 HA ILE 63 -3.289 -1.349 8.839 443 HB ILE 63 HB ILE 63 -1.331 -0.417 6.740 444 HG12 ILE 63 2HG1 ILE 63 -2.616 1.519 7.400 445 HG13 ILE 63 1HG1 ILE 63 -3.289 0.921 5.885 446 HG21 ILE 63 1HG2 ILE 63 -4.022 -1.762 6.458 447 HG22 ILE 63 2HG2 ILE 63 -2.490 -2.635 6.443 448 HG23 ILE 63 3HG2 ILE 63 -2.840 -1.455 5.187 449 HD11 ILE 63 3HD1 ILE 63 -5.198 1.270 7.211 450 HD12 ILE 63 1HD1 ILE 63 -4.407 0.683 8.668 451 HD13 ILE 63 2HD1 ILE 63 -4.902 -0.445 7.409 452 H ASP 64 H ASP 64 -2.814 -3.348 9.361 453 HA ASP 64 HA ASP 64 -0.107 -4.191 9.839 454 HB2 ASP 64 2HB ASP 64 -2.572 -5.927 9.804 455 HB3 ASP 64 1HB ASP 64 -1.066 -6.202 10.677 456 H PHE 65 H PHE 65 0.544 -6.424 9.014 457 HA PHE 65 HA PHE 65 1.092 -6.333 6.294 458 HB2 PHE 65 2HB PHE 65 1.008 -9.020 7.588 459 HB3 PHE 65 1HB PHE 65 2.256 -8.290 6.635 460 HD1 PHE 65 2HD PHE 65 0.696 -8.339 10.009 461 HD2 PHE 65 1HD PHE 65 3.982 -6.987 7.603 462 HE1 PHE 65 2HE PHE 65 1.910 -7.656 12.055 463 HE2 PHE 65 1HE PHE 65 5.198 -6.300 9.646 464 HZ PHE 65 HZ PHE 65 4.163 -6.634 11.875 465 HA PRO 66 HA PRO 66 -2.362 -9.706 5.566 466 HB2 PRO 66 2HB PRO 66 -4.511 -9.527 7.339 467 HB3 PRO 66 1HB PRO 66 -3.184 -10.697 7.470 468 HG2 PRO 66 2HG PRO 66 -3.551 -8.091 8.883 469 HG3 PRO 66 1HG PRO 66 -2.963 -9.644 9.510 470 HD2 PRO 66 2HD PRO 66 -1.266 -7.677 8.927 471 HD3 PRO 66 1HD PRO 66 -0.850 -9.360 8.615 472 H GLU 67 H GLU 67 -3.730 -6.835 7.183 473 HA GLU 67 HA GLU 67 -5.911 -6.375 5.581 474 HB2 GLU 67 2HB GLU 67 -4.033 -4.357 6.829 475 HB3 GLU 67 1HB GLU 67 -5.624 -3.965 6.175 476 HG2 GLU 67 2HG GLU 67 -5.154 -6.033 8.339 477 HG3 GLU 67 1HG GLU 67 -5.621 -4.363 8.659 478 H PHE 68 H PHE 68 -2.620 -5.129 5.055 479 HA PHE 68 HA PHE 68 -3.162 -3.788 2.648 480 HB2 PHE 68 2HB PHE 68 -1.132 -3.379 3.917 481 HB3 PHE 68 1HB PHE 68 -0.598 -5.037 3.634 482 HD1 PHE 68 1HD PHE 68 -0.138 -5.802 1.284 483 HD2 PHE 68 2HD PHE 68 -0.832 -1.683 2.264 484 HE1 PHE 68 1HE PHE 68 0.890 -5.125 -0.863 485 HE2 PHE 68 2HE PHE 68 0.182 -1.000 0.109 486 HZ PHE 68 HZ PHE 68 1.045 -2.725 -1.455 487 H LEU 69 H LEU 69 -1.863 -7.030 3.238 488 HA LEU 69 HA LEU 69 -1.529 -7.849 0.607 489 HB2 LEU 69 2HB LEU 69 -0.650 -9.203 2.330 490 HB3 LEU 69 1HB LEU 69 -2.215 -9.355 3.128 491 HG LEU 69 HG LEU 69 -2.100 -10.347 0.303 492 HD11 LEU 69 1HD1 LEU 69 0.028 -11.204 1.001 493 HD12 LEU 69 2HD1 LEU 69 -1.121 -12.537 1.100 494 HD13 LEU 69 3HD1 LEU 69 -0.616 -11.699 2.567 495 HD21 LEU 69 3HD2 LEU 69 -3.113 -11.769 2.780 496 HD22 LEU 69 1HD2 LEU 69 -3.630 -11.986 1.108 497 HD23 LEU 69 2HD2 LEU 69 -4.068 -10.524 1.985 498 H THR 70 H THR 70 -4.441 -7.444 2.466 499 HA THR 70 HA THR 70 -6.093 -8.977 0.645 500 HB THR 70 HB THR 70 -6.849 -7.119 2.904 501 HG1 THR 70 1HG THR 70 -5.912 -9.673 2.755 502 HG21 THR 70 3HG2 THR 70 -8.735 -7.359 1.457 503 HG22 THR 70 1HG2 THR 70 -8.984 -8.508 2.774 504 HG23 THR 70 2HG2 THR 70 -8.407 -9.073 1.204 505 H MET 71 H MET 71 -6.439 -5.587 1.702 506 HA MET 71 HA MET 71 -8.060 -4.761 -0.371 507 HB2 MET 71 2HB MET 71 -7.717 -2.572 0.351 508 HB3 MET 71 1HB MET 71 -7.287 -3.499 1.782 509 HG2 MET 71 2HG MET 71 -4.911 -3.280 1.255 510 HG3 MET 71 1HG MET 71 -5.268 -2.449 -0.249 511 HE1 MET 71 3HE MET 71 -4.087 -1.754 3.257 512 HE2 MET 71 1HE MET 71 -5.627 -2.598 3.446 513 HE3 MET 71 2HE MET 71 -5.449 -0.938 4.007 514 H MET 72 H MET 72 -4.757 -5.616 -0.573 515 HA MET 72 HA MET 72 -4.317 -4.060 -3.023 516 HB2 MET 72 2HB MET 72 -2.059 -4.458 -2.798 517 HB3 MET 72 1HB MET 72 -2.587 -4.371 -1.126 518 HG2 MET 72 2HG MET 72 -1.295 -6.301 -1.126 519 HG3 MET 72 1HG MET 72 -2.902 -6.964 -1.366 520 HE1 MET 72 3HE MET 72 0.056 -5.367 -3.026 521 HE2 MET 72 1HE MET 72 0.462 -6.394 -4.403 522 HE3 MET 72 2HE MET 72 0.724 -6.972 -2.762 523 H ALA 73 H ALA 73 -4.869 -7.333 -1.944 524 HA ALA 73 HA ALA 73 -4.096 -8.758 -4.232 525 HB1 ALA 73 1HB ALA 73 -6.174 -9.303 -2.114 526 HB2 ALA 73 2HB ALA 73 -4.550 -9.977 -2.244 527 HB3 ALA 73 3HB ALA 73 -5.796 -10.457 -3.394 528 H ARG 74 H ARG 74 -7.118 -7.104 -3.475 529 HA ARG 74 HA ARG 74 -8.646 -8.138 -5.608 530 HB2 ARG 74 2HB ARG 74 -9.907 -5.855 -5.233 531 HB3 ARG 74 1HB ARG 74 -9.931 -7.089 -3.973 532 HG2 ARG 74 2HG ARG 74 -8.243 -5.986 -2.704 533 HG3 ARG 74 1HG ARG 74 -7.835 -4.911 -4.047 534 HD2 ARG 74 2HD ARG 74 -10.499 -4.948 -2.602 535 HD3 ARG 74 1HD ARG 74 -9.211 -3.787 -2.303 536 HE ARG 74 HE ARG 74 -9.723 -3.677 -5.030 537 HH11 ARG 74 1HH2 ARG 74 -11.447 -3.217 -2.060 538 HH12 ARG 74 2HH2 ARG 74 -12.523 -2.024 -2.710 539 HH21 ARG 74 1HH1 ARG 74 -11.128 -2.113 -5.887 540 HH22 ARG 74 2HH1 ARG 74 -12.343 -1.399 -4.876 541 H LYS 75 H LYS 75 -5.828 -6.641 -5.922 542 HA LYS 75 HA LYS 75 -5.757 -4.494 -7.483 543 HB2 LYS 75 2HB LYS 75 -3.816 -5.970 -7.028 544 HB3 LYS 75 1HB LYS 75 -4.402 -7.086 -8.260 545 HG2 LYS 75 2HG LYS 75 -4.205 -5.345 -9.974 546 HG3 LYS 75 1HG LYS 75 -3.691 -4.178 -8.754 547 HD2 LYS 75 2HD LYS 75 -1.711 -5.573 -8.256 548 HD3 LYS 75 1HD LYS 75 -2.215 -6.727 -9.492 549 HE2 LYS 75 2HE LYS 75 -2.059 -4.949 -11.206 550 HE3 LYS 75 1HE LYS 75 -1.533 -3.809 -9.969 551 HZ1 LYS 75 3HZ LYS 75 0.518 -4.500 -10.385 552 HZ2 LYS 75 1HZ LYS 75 -0.022 -5.776 -11.361 553 HZ3 LYS 75 2HZ LYS 75 0.105 -5.990 -9.682 554 H MET 76 H MET 76 -5.980 -3.930 -9.660 555 HA MET 76 HA MET 76 -8.327 -4.622 -10.905 556 HB2 MET 76 2HB MET 76 -7.100 -3.800 -13.063 557 HB3 MET 76 1HB MET 76 -7.351 -2.673 -11.732 558 HG2 MET 76 2HG MET 76 -5.077 -3.062 -10.924 559 HG3 MET 76 1HG MET 76 -4.811 -4.268 -12.185 560 HE1 MET 76 3HE MET 76 -2.752 -2.062 -11.912 561 HE2 MET 76 1HE MET 76 -2.563 -1.513 -13.584 562 HE3 MET 76 2HE MET 76 -2.768 -3.227 -13.233 563 H LYS 77 H LYS 77 -9.019 -6.096 -12.327 564 HA LYS 77 HA LYS 77 -7.264 -8.418 -12.843 565 HB2 LYS 77 2HB LYS 77 -10.276 -8.078 -12.865 566 HB3 LYS 77 1HB LYS 77 -9.458 -9.547 -13.403 567 HG2 LYS 77 2HG LYS 77 -8.388 -9.758 -11.174 568 HG3 LYS 77 1HG LYS 77 -9.228 -8.303 -10.639 569 HD2 LYS 77 2HD LYS 77 -11.397 -9.390 -10.980 570 HD3 LYS 77 1HD LYS 77 -10.600 -10.827 -11.619 571 HE2 LYS 77 2HE LYS 77 -11.203 -11.196 -9.275 572 HE3 LYS 77 1HE LYS 77 -9.448 -11.130 -9.430 573 HZ1 LYS 77 3HZ LYS 77 -10.865 -9.693 -7.675 574 HZ2 LYS 77 1HZ LYS 77 -10.730 -8.584 -8.950 575 HZ3 LYS 77 2HZ LYS 77 -9.331 -9.249 -8.251 576 H1 GLY 45 1HT GLY 45 -17.963 11.465 -6.450 577 H2 GLY 45 2HT GLY 45 -17.152 10.488 -7.579 578 H3 GLY 45 3HT GLY 45 -16.281 11.586 -6.619 579 HA2 GLY 45 2HA GLY 45 -17.384 10.198 -4.682 580 HA3 GLY 45 1HA GLY 45 -17.361 8.960 -5.939 581 H THR 46 H THR 46 -15.790 8.795 -3.584 582 HA THR 46 HA THR 46 -13.085 9.627 -4.209 583 HB THR 46 HB THR 46 -12.542 8.205 -2.167 584 HG1 THR 46 1HG THR 46 -15.370 8.057 -2.176 585 HG21 THR 46 3HG2 THR 46 -12.893 10.650 -2.056 586 HG22 THR 46 1HG2 THR 46 -13.504 9.845 -0.610 587 HG23 THR 46 2HG2 THR 46 -14.624 10.387 -1.858 588 H GLY 47 H GLY 47 -11.299 7.977 -4.171 589 HA2 GLY 47 2HA GLY 47 -12.050 5.404 -5.440 590 HA3 GLY 47 1HA GLY 47 -10.846 6.449 -6.196 591 H ALA 48 H ALA 48 -11.596 4.855 -3.118 592 HA ALA 48 HA ALA 48 -9.086 5.064 -1.909 593 HB1 ALA 48 1HB ALA 48 -11.090 4.418 -0.690 594 HB2 ALA 48 2HB ALA 48 -9.856 3.169 -0.506 595 HB3 ALA 48 3HB ALA 48 -11.202 2.923 -1.619 596 H ALA 49 H ALA 49 -10.365 2.471 -4.003 597 HA ALA 49 HA ALA 49 -8.161 0.721 -3.757 598 HB1 ALA 49 1HB ALA 49 -10.305 -0.003 -4.676 599 HB2 ALA 49 2HB ALA 49 -9.016 -0.298 -5.843 600 HB3 ALA 49 3HB ALA 49 -10.100 1.077 -6.055 601 H LEU 50 H LEU 50 -8.830 3.356 -6.018 602 HA LEU 50 HA LEU 50 -6.619 2.959 -7.735 603 HB2 LEU 50 2HB LEU 50 -8.373 5.306 -7.049 604 HB3 LEU 50 1HB LEU 50 -6.990 5.521 -8.120 605 HG LEU 50 HG LEU 50 -8.898 3.254 -8.665 606 HD11 LEU 50 1HD1 LEU 50 -9.362 6.147 -9.465 607 HD12 LEU 50 2HD1 LEU 50 -10.360 5.214 -8.347 608 HD13 LEU 50 3HD1 LEU 50 -10.286 4.763 -10.050 609 HD21 LEU 50 3HD2 LEU 50 -7.296 5.130 -10.438 610 HD22 LEU 50 1HD2 LEU 50 -8.241 3.750 -10.995 611 HD23 LEU 50 2HD2 LEU 50 -6.818 3.495 -9.989 612 H SER 51 H SER 51 -7.044 4.829 -4.773 613 HA SER 51 HA SER 51 -4.563 6.151 -4.762 614 HB2 SER 51 2HB SER 51 -6.298 5.201 -2.473 615 HB3 SER 51 1HB SER 51 -4.948 6.322 -2.304 616 HG SER 51 HG SER 51 -7.479 6.712 -3.309 617 H TRP 52 H TRP 52 -5.571 3.044 -3.389 618 HA TRP 52 HA TRP 52 -3.019 2.402 -2.290 619 HB2 TRP 52 2HB TRP 52 -5.613 0.980 -2.750 620 HB3 TRP 52 1HB TRP 52 -4.191 -0.013 -2.447 621 HD1 TRP 52 HD TRP 52 -6.898 1.456 -0.629 622 HE1 TRP 52 1HE TRP 52 -6.316 1.846 1.851 623 HE3 TRP 52 3HE TRP 52 -1.814 1.026 -0.842 624 HZ2 TRP 52 2HZ TRP 52 -4.010 1.953 3.531 625 HZ3 TRP 52 3HZ TRP 52 -0.441 1.277 1.202 626 HH2 TRP 52 HH TRP 52 -1.508 1.744 3.387 627 H GLN 53 H GLN 53 -4.743 1.270 -5.206 628 HA GLN 53 HA GLN 53 -2.658 -0.378 -6.158 629 HB2 GLN 53 2HB GLN 53 -4.968 0.970 -7.558 630 HB3 GLN 53 1HB GLN 53 -3.866 -0.140 -8.373 631 HG2 GLN 53 2HG GLN 53 -4.419 -1.900 -6.739 632 HG3 GLN 53 1HG GLN 53 -5.510 -0.792 -5.910 633 HE21 GLN 53 1HE2 GLN 53 -7.591 -1.547 -6.400 634 HE22 GLN 53 2HE2 GLN 53 -8.139 -1.895 -7.969 635 H ALA 54 H ALA 54 -3.505 2.994 -6.948 636 HA ALA 54 HA ALA 54 -1.530 3.400 -8.912 637 HB1 ALA 54 1HB ALA 54 -1.884 5.785 -8.526 638 HB2 ALA 54 2HB ALA 54 -2.698 5.436 -7.001 639 HB3 ALA 54 3HB ALA 54 -3.430 4.936 -8.527 640 H ALA 55 H ALA 55 -1.417 3.800 -5.384 641 HA ALA 55 HA ALA 55 1.150 4.998 -5.269 642 HB1 ALA 55 1HB ALA 55 -0.446 3.394 -3.272 643 HB2 ALA 55 2HB ALA 55 -0.255 5.145 -3.348 644 HB3 ALA 55 3HB ALA 55 1.110 4.128 -2.885 645 H ILE 56 H ILE 56 0.084 1.622 -5.126 646 HA ILE 56 HA ILE 56 2.616 0.471 -4.592 647 HB ILE 56 HB ILE 56 0.124 -0.641 -5.902 648 HG12 ILE 56 2HG1 ILE 56 1.299 -1.156 -3.161 649 HG13 ILE 56 1HG1 ILE 56 0.102 0.099 -3.464 650 HG21 ILE 56 1HG2 ILE 56 2.733 -1.966 -5.132 651 HG22 ILE 56 2HG2 ILE 56 1.888 -2.043 -6.679 652 HG23 ILE 56 3HG2 ILE 56 1.226 -2.873 -5.270 653 HD11 ILE 56 3HD1 ILE 56 -0.276 -2.846 -4.086 654 HD12 ILE 56 1HD1 ILE 56 -1.477 -1.575 -4.314 655 HD13 ILE 56 2HD1 ILE 56 -0.955 -2.010 -2.688 656 H ASP 57 H ASP 57 0.881 1.130 -7.614 657 HA ASP 57 HA ASP 57 2.694 -0.084 -9.384 658 HB2 ASP 57 2HB ASP 57 0.758 2.210 -9.704 659 HB3 ASP 57 1HB ASP 57 1.699 1.567 -11.050 660 H ALA 58 H ALA 58 2.520 3.265 -8.190 661 HA ALA 58 HA ALA 58 4.742 4.210 -9.681 662 HB1 ALA 58 1HB ALA 58 3.277 5.860 -8.851 663 HB2 ALA 58 2HB ALA 58 4.732 6.034 -7.871 664 HB3 ALA 58 3HB ALA 58 3.322 5.199 -7.217 665 H ALA 59 H ALA 59 4.416 2.793 -6.455 666 HA ALA 59 HA ALA 59 7.072 3.253 -5.587 667 HB1 ALA 59 1HB ALA 59 6.610 1.485 -3.935 668 HB2 ALA 59 2HB ALA 59 5.157 1.031 -4.826 669 HB3 ALA 59 3HB ALA 59 5.257 2.611 -4.051 670 H ARG 60 H ARG 60 5.541 0.627 -7.367 671 HA ARG 60 HA ARG 60 7.725 -1.150 -7.407 672 HB2 ARG 60 2HB ARG 60 5.297 -1.615 -8.045 673 HB3 ARG 60 1HB ARG 60 5.666 -0.853 -9.590 674 HG2 ARG 60 2HG ARG 60 6.133 -3.071 -10.107 675 HG3 ARG 60 1HG ARG 60 7.724 -2.532 -9.578 676 HD2 ARG 60 2HD ARG 60 7.224 -3.402 -7.294 677 HD3 ARG 60 1HD ARG 60 5.672 -3.986 -7.883 678 HE ARG 60 HE ARG 60 7.563 -5.043 -9.596 679 HH11 ARG 60 1HH2 ARG 60 6.948 -5.083 -6.178 680 HH12 ARG 60 2HH2 ARG 60 7.544 -6.698 -5.964 681 HH21 ARG 60 1HH1 ARG 60 8.333 -7.127 -9.318 682 HH22 ARG 60 2HH1 ARG 60 8.328 -7.856 -7.745 683 H GLN 61 H GLN 61 6.709 1.402 -9.667 684 HA GLN 61 HA GLN 61 8.689 0.951 -11.624 685 HB2 GLN 61 2HB GLN 61 6.677 2.405 -11.925 686 HB3 GLN 61 1HB GLN 61 7.424 3.595 -10.863 687 HG2 GLN 61 2HG GLN 61 7.881 4.229 -13.157 688 HG3 GLN 61 1HG GLN 61 9.385 3.679 -12.430 689 HE21 GLN 61 1HE2 GLN 61 10.438 2.772 -14.250 690 HE22 GLN 61 2HE2 GLN 61 9.781 1.514 -15.184 691 H ALA 62 H ALA 62 8.654 2.904 -8.679 692 HA ALA 62 HA ALA 62 11.122 4.214 -9.030 693 HB1 ALA 62 1HB ALA 62 10.971 4.784 -6.739 694 HB2 ALA 62 2HB ALA 62 10.037 3.338 -6.355 695 HB3 ALA 62 3HB ALA 62 9.296 4.649 -7.273 696 H LYS 63 H LYS 63 10.316 1.162 -7.390 697 HA LYS 63 HA LYS 63 12.955 0.546 -6.583 698 HB2 LYS 63 2HB LYS 63 10.865 -0.516 -5.672 699 HB3 LYS 63 1HB LYS 63 10.710 -1.396 -7.192 700 HG2 LYS 63 2HG LYS 63 11.861 -2.965 -5.904 701 HG3 LYS 63 1HG LYS 63 13.211 -2.140 -6.667 702 HD2 LYS 63 2HD LYS 63 13.425 -0.675 -4.672 703 HD3 LYS 63 1HD LYS 63 12.099 -1.549 -3.916 704 HE2 LYS 63 2HE LYS 63 14.678 -2.829 -4.845 705 HE3 LYS 63 1HE LYS 63 14.329 -2.372 -3.176 706 HZ1 LYS 63 3HZ LYS 63 13.343 -4.600 -4.719 707 HZ2 LYS 63 1HZ LYS 63 12.144 -3.781 -3.845 708 HZ3 LYS 63 2HZ LYS 63 13.494 -4.424 -3.035 709 H LEU 64 H LEU 64 11.082 -0.248 -9.477 710 HA LEU 64 HA LEU 64 12.915 -2.047 -10.624 711 HB2 LEU 64 2HB LEU 64 10.424 -1.337 -11.269 712 HB3 LEU 64 1HB LEU 64 11.262 -0.261 -12.384 713 HG LEU 64 HG LEU 64 11.630 -3.267 -12.201 714 HD11 LEU 64 1HD1 LEU 64 10.212 -1.478 -14.188 715 HD12 LEU 64 2HD1 LEU 64 9.524 -2.793 -13.235 716 HD13 LEU 64 3HD1 LEU 64 10.653 -3.149 -14.543 717 HD21 LEU 64 3HD2 LEU 64 13.041 -1.110 -13.760 718 HD22 LEU 64 1HD2 LEU 64 12.860 -2.714 -14.470 719 HD23 LEU 64 2HD2 LEU 64 13.712 -2.528 -12.944 720 H MET 65 H MET 65 12.622 1.479 -10.868 721 HA MET 65 HA MET 65 14.599 1.849 -12.856 722 HB2 MET 65 2HB MET 65 12.874 3.538 -12.098 723 HB3 MET 65 1HB MET 65 13.882 3.817 -10.679 724 HG2 MET 65 2HG MET 65 14.481 5.479 -12.322 725 HG3 MET 65 1HG MET 65 15.800 4.314 -12.252 726 HE1 MET 65 3HE MET 65 12.795 5.107 -15.579 727 HE2 MET 65 1HE MET 65 13.557 6.284 -14.499 728 HE3 MET 65 2HE MET 65 12.418 5.103 -13.859 729 H GLY 66 H GLY 66 14.808 1.220 -9.451 730 HA2 GLY 66 2HA GLY 66 16.743 0.476 -8.339 731 HA3 GLY 66 1HA GLY 66 17.727 1.117 -9.646 732 H SER 67 H SER 67 15.333 3.279 -8.488 733 HA SER 67 HA SER 67 17.322 5.119 -7.535 734 HB2 SER 67 2HB SER 67 15.305 6.490 -6.888 735 HB3 SER 67 1HB SER 67 15.371 6.036 -8.587 736 HG SER 67 HG SER 67 13.851 4.855 -6.502 737 H ALA 68 H ALA 68 17.224 6.130 -5.380 738 HA ALA 68 HA ALA 68 17.058 4.081 -3.300 739 HB1 ALA 68 1HB ALA 68 17.996 6.952 -3.110 740 HB2 ALA 68 2HB ALA 68 19.040 5.584 -3.493 741 HB3 ALA 68 3HB ALA 68 18.250 5.676 -1.920 Start of MODEL 5 1 H1 ALA 1 1HT ALA 1 -8.689 -25.668 -3.113 2 H2 ALA 1 2HT ALA 1 -7.295 -24.694 -3.150 3 H3 ALA 1 3HT ALA 1 -7.379 -26.023 -2.094 4 HA ALA 1 HA ALA 1 -6.558 -27.372 -3.622 5 HB1 ALA 1 2HB ALA 1 -8.874 -27.654 -4.417 6 HB2 ALA 1 3HB ALA 1 -7.749 -27.672 -5.776 7 HB3 ALA 1 1HB ALA 1 -8.701 -26.227 -5.441 8 H ASP 2 H ASP 2 -7.581 -24.801 -5.831 9 HA ASP 2 HA ASP 2 -4.738 -24.157 -6.359 10 HB2 ASP 2 2HB ASP 2 -5.712 -25.538 -8.149 11 HB3 ASP 2 1HB ASP 2 -7.016 -24.372 -8.344 12 H GLN 3 H GLN 3 -4.612 -22.278 -5.232 13 HA GLN 3 HA GLN 3 -5.994 -19.972 -6.347 14 HB2 GLN 3 2HB GLN 3 -7.543 -20.769 -4.583 15 HB3 GLN 3 1HB GLN 3 -6.242 -20.646 -3.401 16 HG2 GLN 3 2HG GLN 3 -6.087 -18.251 -3.727 17 HG3 GLN 3 1HG GLN 3 -7.220 -18.316 -5.076 18 HE21 GLN 3 1HE2 GLN 3 -9.061 -17.250 -4.277 19 HE22 GLN 3 2HE2 GLN 3 -9.840 -17.653 -2.824 20 H LEU 4 H LEU 4 -5.055 -17.947 -5.636 21 HA LEU 4 HA LEU 4 -3.187 -16.627 -5.397 22 HB2 LEU 4 2HB LEU 4 -3.910 -17.605 -2.965 23 HB3 LEU 4 1HB LEU 4 -2.249 -18.181 -3.039 24 HG LEU 4 HG LEU 4 -1.742 -15.702 -3.812 25 HD11 LEU 4 1HD1 LEU 4 -4.291 -15.340 -2.209 26 HD12 LEU 4 2HD1 LEU 4 -4.156 -15.087 -3.947 27 HD13 LEU 4 3HD1 LEU 4 -3.255 -14.058 -2.837 28 HD21 LEU 4 3HD2 LEU 4 -2.465 -16.339 -0.932 29 HD22 LEU 4 1HD2 LEU 4 -1.364 -15.074 -1.474 30 HD23 LEU 4 2HD2 LEU 4 -0.941 -16.768 -1.710 31 H THR 5 H THR 5 -0.643 -16.976 -4.526 32 HA THR 5 HA THR 5 0.615 -19.347 -5.498 33 HB THR 5 HB THR 5 0.740 -16.885 -7.262 34 HG1 THR 5 1HG THR 5 -0.161 -18.322 -8.771 35 HG21 THR 5 3HG2 THR 5 2.308 -19.469 -7.237 36 HG22 THR 5 1HG2 THR 5 2.929 -17.822 -7.263 37 HG23 THR 5 2HG2 THR 5 2.147 -18.488 -8.692 38 H GLU 6 H GLU 6 3.027 -19.109 -5.507 39 HA GLU 6 HA GLU 6 3.998 -17.998 -3.160 40 HB2 GLU 6 2HB GLU 6 5.161 -19.679 -4.654 41 HB3 GLU 6 1HB GLU 6 5.605 -18.334 -5.702 42 HG2 GLU 6 2HG GLU 6 7.464 -18.710 -4.240 43 HG3 GLU 6 1HG GLU 6 6.672 -17.239 -3.678 44 H GLU 7 H GLU 7 4.400 -16.644 -6.431 45 HA GLU 7 HA GLU 7 5.697 -14.316 -5.856 46 HB2 GLU 7 2HB GLU 7 4.573 -13.318 -7.803 47 HB3 GLU 7 1HB GLU 7 5.029 -14.992 -8.124 48 HG2 GLU 7 2HG GLU 7 2.601 -15.527 -7.243 49 HG3 GLU 7 1HG GLU 7 2.294 -13.839 -7.630 50 H GLN 8 H GLN 8 2.125 -14.600 -5.855 51 HA GLN 8 HA GLN 8 1.338 -12.149 -5.112 52 HB2 GLN 8 2HB GLN 8 0.320 -14.771 -4.052 53 HB3 GLN 8 1HB GLN 8 -0.556 -13.250 -3.938 54 HG2 GLN 8 2HG GLN 8 0.353 -14.526 -6.538 55 HG3 GLN 8 1HG GLN 8 -1.274 -14.647 -5.877 56 HE21 GLN 8 1HE2 GLN 8 0.505 -12.913 -8.090 57 HE22 GLN 8 2HE2 GLN 8 -0.395 -11.474 -8.092 58 H ILE 9 H ILE 9 2.069 -14.668 -2.624 59 HA ILE 9 HA ILE 9 1.724 -12.911 -0.471 60 HB ILE 9 HB ILE 9 3.259 -14.562 0.769 61 HG12 ILE 9 2HG1 ILE 9 2.994 -16.029 -1.873 62 HG13 ILE 9 1HG1 ILE 9 4.477 -15.262 -1.314 63 HG21 ILE 9 1HG2 ILE 9 0.796 -14.727 0.734 64 HG22 ILE 9 2HG2 ILE 9 1.537 -16.327 0.681 65 HG23 ILE 9 3HG2 ILE 9 0.881 -15.611 -0.791 66 HD11 ILE 9 3HD1 ILE 9 4.618 -16.735 0.577 67 HD12 ILE 9 1HD1 ILE 9 4.345 -17.720 -0.857 68 HD13 ILE 9 2HD1 ILE 9 3.013 -17.397 0.250 69 H ALA 10 H ALA 10 4.739 -13.773 -2.206 70 HA ALA 10 HA ALA 10 6.499 -12.225 -0.700 71 HB1 ALA 10 1HB ALA 10 6.950 -13.889 -2.622 72 HB2 ALA 10 2HB ALA 10 8.009 -12.484 -2.483 73 HB3 ALA 10 3HB ALA 10 6.718 -12.502 -3.685 74 H GLU 11 H GLU 11 4.635 -11.370 -3.583 75 HA GLU 11 HA GLU 11 5.474 -8.747 -3.941 76 HB2 GLU 11 2HB GLU 11 2.784 -10.039 -4.421 77 HB3 GLU 11 1HB GLU 11 3.182 -8.406 -4.958 78 HG2 GLU 11 2HG GLU 11 4.794 -10.857 -5.701 79 HG3 GLU 11 1HG GLU 11 3.536 -10.170 -6.718 80 H PHE 12 H PHE 12 2.874 -9.966 -1.814 81 HA PHE 12 HA PHE 12 1.980 -7.428 -0.970 82 HB2 PHE 12 2HB PHE 12 0.407 -8.763 -0.052 83 HB3 PHE 12 1HB PHE 12 1.377 -10.173 -0.444 84 HD1 PHE 12 2HD PHE 12 1.208 -7.416 2.085 85 HD2 PHE 12 1HD PHE 12 2.128 -11.529 1.305 86 HE1 PHE 12 2HE PHE 12 1.642 -7.784 4.498 87 HE2 PHE 12 1HE PHE 12 2.570 -11.894 3.703 88 HZ PHE 12 HZ PHE 12 2.320 -10.032 5.305 89 H LYS 13 H LYS 13 4.416 -9.632 0.364 90 HA LYS 13 HA LYS 13 5.033 -8.079 2.642 91 HB2 LYS 13 2HB LYS 13 5.612 -10.467 2.402 92 HB3 LYS 13 1HB LYS 13 6.776 -10.050 1.148 93 HG2 LYS 13 2HG LYS 13 7.072 -8.514 3.680 94 HG3 LYS 13 1HG LYS 13 7.400 -10.238 3.824 95 HD2 LYS 13 2HD LYS 13 8.614 -8.663 1.561 96 HD3 LYS 13 1HD LYS 13 9.347 -8.618 3.160 97 HE2 LYS 13 2HE LYS 13 9.549 -11.068 3.158 98 HE3 LYS 13 1HE LYS 13 8.776 -11.137 1.571 99 HZ1 LYS 13 3HZ LYS 13 10.603 -10.335 0.542 100 HZ2 LYS 13 1HZ LYS 13 11.388 -11.035 1.875 101 HZ3 LYS 13 2HZ LYS 13 11.073 -9.363 1.858 102 H GLU 14 H GLU 14 6.267 -8.142 -0.665 103 HA GLU 14 HA GLU 14 8.473 -6.399 -0.261 104 HB2 GLU 14 2HB GLU 14 6.825 -7.090 -2.693 105 HB3 GLU 14 1HB GLU 14 8.224 -6.020 -2.765 106 HG2 GLU 14 2HG GLU 14 9.655 -7.799 -1.869 107 HG3 GLU 14 1HG GLU 14 8.268 -8.869 -1.725 108 H ALA 15 H ALA 15 5.239 -5.753 -1.654 109 HA ALA 15 HA ALA 15 5.482 -2.991 -1.896 110 HB1 ALA 15 1HB ALA 15 3.137 -2.943 -2.157 111 HB2 ALA 15 2HB ALA 15 2.904 -4.345 -1.111 112 HB3 ALA 15 3HB ALA 15 3.603 -4.545 -2.718 113 H PHE 16 H PHE 16 4.365 -4.929 0.862 114 HA PHE 16 HA PHE 16 3.650 -2.829 2.560 115 HB2 PHE 16 2HB PHE 16 2.989 -4.816 3.489 116 HB3 PHE 16 1HB PHE 16 4.383 -5.690 2.870 117 HD1 PHE 16 2HD PHE 16 6.517 -5.659 4.043 118 HD2 PHE 16 1HD PHE 16 3.057 -3.704 5.675 119 HE1 PHE 16 2HE PHE 16 7.657 -5.473 6.231 120 HE2 PHE 16 1HE PHE 16 4.206 -3.519 7.868 121 HZ PHE 16 HZ PHE 16 6.508 -4.400 8.130 122 H SER 17 H SER 17 6.760 -4.538 2.322 123 HA SER 17 HA SER 17 8.173 -3.130 4.244 124 HB2 SER 17 2HB SER 17 9.101 -4.373 1.653 125 HB3 SER 17 1HB SER 17 10.211 -3.707 2.849 126 HG SER 17 HG SER 17 8.496 -5.932 3.003 127 H LEU 18 H LEU 18 7.444 -2.208 0.914 128 HA LEU 18 HA LEU 18 9.252 -0.007 0.774 129 HB2 LEU 18 2HB LEU 18 6.685 -0.570 -0.716 130 HB3 LEU 18 1HB LEU 18 7.804 0.735 -1.117 131 HG LEU 18 HG LEU 18 8.571 -2.199 -1.016 132 HD11 LEU 18 1HD1 LEU 18 8.356 -2.300 -3.365 133 HD12 LEU 18 2HD1 LEU 18 8.269 -0.547 -3.522 134 HD13 LEU 18 3HD1 LEU 18 6.906 -1.441 -2.853 135 HD21 LEU 18 3HD2 LEU 18 10.027 0.344 -1.729 136 HD22 LEU 18 1HD2 LEU 18 10.502 -1.176 -2.482 137 HD23 LEU 18 2HD2 LEU 18 10.580 -1.003 -0.734 138 H PHE 19 H PHE 19 5.835 -0.252 1.699 139 HA PHE 19 HA PHE 19 5.558 2.574 2.098 140 HB2 PHE 19 2HB PHE 19 3.841 0.323 3.127 141 HB3 PHE 19 1HB PHE 19 3.400 2.029 3.079 142 HD1 PHE 19 2HD PHE 19 3.948 3.127 0.602 143 HD2 PHE 19 1HD PHE 19 2.939 -0.963 1.424 144 HE1 PHE 19 2HE PHE 19 3.190 2.842 -1.735 145 HE2 PHE 19 1HE PHE 19 2.174 -1.245 -0.897 146 HZ PHE 19 HZ PHE 19 2.297 0.653 -2.490 147 H ASP 20 H ASP 20 5.938 -0.172 4.363 148 HA ASP 20 HA ASP 20 5.818 1.382 6.717 149 HB2 ASP 20 2HB ASP 20 5.657 -1.107 6.617 150 HB3 ASP 20 1HB ASP 20 7.387 -1.169 6.285 151 H LYS 21 H LYS 21 7.138 3.223 5.726 152 HA LYS 21 HA LYS 21 9.905 3.085 5.333 153 HB2 LYS 21 2HB LYS 21 8.623 5.472 6.645 154 HB3 LYS 21 1HB LYS 21 9.960 5.440 5.501 155 HG2 LYS 21 2HG LYS 21 7.035 4.905 4.935 156 HG3 LYS 21 1HG LYS 21 8.012 6.233 4.333 157 HD2 LYS 21 2HD LYS 21 8.419 3.302 3.629 158 HD3 LYS 21 1HD LYS 21 7.691 4.518 2.595 159 HE2 LYS 21 2HE LYS 21 9.865 5.854 2.877 160 HE3 LYS 21 1HE LYS 21 10.561 4.367 3.519 161 HZ1 LYS 21 3HZ LYS 21 11.014 4.232 1.276 162 HZ2 LYS 21 1HZ LYS 21 9.528 4.910 0.815 163 HZ3 LYS 21 2HZ LYS 21 9.587 3.317 1.404 164 H ASP 22 H ASP 22 8.122 3.802 8.338 165 HA ASP 22 HA ASP 22 10.370 4.122 9.977 166 HB2 ASP 22 2HB ASP 22 7.783 2.899 10.919 167 HB3 ASP 22 1HB ASP 22 8.861 3.992 11.783 168 H GLY 23 H GLY 23 9.009 1.339 8.509 169 HA2 GLY 23 2HA GLY 23 9.491 -0.904 8.623 170 HA3 GLY 23 1HA GLY 23 11.090 -0.386 9.138 171 H ASP 24 H ASP 24 8.029 0.121 10.875 172 HA ASP 24 HA ASP 24 9.216 -1.212 13.208 173 HB2 ASP 24 2HB ASP 24 7.562 -0.132 14.515 174 HB3 ASP 24 1HB ASP 24 8.101 1.062 13.340 175 H GLY 25 H GLY 25 7.105 -1.946 10.668 176 HA2 GLY 25 2HA GLY 25 6.494 -4.329 10.444 177 HA3 GLY 25 1HA GLY 25 6.054 -4.304 12.146 178 H THR 26 H THR 26 5.143 -1.392 10.904 179 HA THR 26 HA THR 26 2.529 -2.292 9.888 180 HB THR 26 HB THR 26 1.431 -0.598 11.396 181 HG1 THR 26 1HG THR 26 3.464 0.454 11.890 182 HG21 THR 26 3HG2 THR 26 2.861 -2.817 12.880 183 HG22 THR 26 1HG2 THR 26 1.472 -3.082 11.824 184 HG23 THR 26 2HG2 THR 26 1.299 -2.098 13.278 185 H ILE 27 H ILE 27 1.405 -0.664 8.714 186 HA ILE 27 HA ILE 27 3.190 1.423 7.629 187 HB ILE 27 HB ILE 27 0.609 0.239 6.586 188 HG12 ILE 27 2HG1 ILE 27 3.382 0.202 5.389 189 HG13 ILE 27 1HG1 ILE 27 2.756 -1.095 6.406 190 HG21 ILE 27 1HG2 ILE 27 1.233 1.649 4.543 191 HG22 ILE 27 2HG2 ILE 27 2.305 2.541 5.622 192 HG23 ILE 27 3HG2 ILE 27 0.566 2.517 5.923 193 HD11 ILE 27 3HD1 ILE 27 1.236 -0.123 3.976 194 HD12 ILE 27 1HD1 ILE 27 1.043 -1.642 4.855 195 HD13 ILE 27 2HD1 ILE 27 2.469 -1.379 3.855 196 H THR 28 H THR 28 2.875 3.488 8.176 197 HA THR 28 HA THR 28 0.374 4.208 9.592 198 HB THR 28 HB THR 28 3.073 5.580 9.659 199 HG1 THR 28 1HG THR 28 1.916 4.239 11.816 200 HG21 THR 28 3HG2 THR 28 0.430 6.062 11.023 201 HG22 THR 28 1HG2 THR 28 1.479 7.218 10.204 202 HG23 THR 28 2HG2 THR 28 1.943 6.569 11.776 203 H THR 29 H THR 29 -0.387 6.432 9.302 204 HA THR 29 HA THR 29 -0.941 7.023 6.629 205 HB THR 29 HB THR 29 -2.060 8.952 7.435 206 HG1 THR 29 1HG THR 29 -0.116 9.729 8.508 207 HG21 THR 29 3HG2 THR 29 -1.948 7.194 9.895 208 HG22 THR 29 1HG2 THR 29 -2.800 6.708 8.428 209 HG23 THR 29 2HG2 THR 29 -3.309 8.147 9.309 210 H LYS 30 H LYS 30 1.519 8.265 8.791 211 HA LYS 30 HA LYS 30 2.482 10.272 7.003 212 HB2 LYS 30 2HB LYS 30 3.692 8.979 9.455 213 HB3 LYS 30 1HB LYS 30 4.421 10.333 8.589 214 HG2 LYS 30 2HG LYS 30 2.498 11.738 9.021 215 HG3 LYS 30 1HG LYS 30 1.604 10.380 9.706 216 HD2 LYS 30 2HD LYS 30 2.472 11.721 11.534 217 HD3 LYS 30 1HD LYS 30 3.360 10.198 11.489 218 HE2 LYS 30 2HE LYS 30 5.282 11.208 10.556 219 HE3 LYS 30 1HE LYS 30 4.389 12.642 10.048 220 HZ1 LYS 30 3HZ LYS 30 4.584 11.921 12.902 221 HZ2 LYS 30 1HZ LYS 30 4.276 13.437 12.203 222 HZ3 LYS 30 2HZ LYS 30 5.838 12.774 12.139 223 H GLU 31 H GLU 31 3.290 6.907 7.657 224 HA GLU 31 HA GLU 31 5.725 6.796 6.214 225 HB2 GLU 31 2HB GLU 31 3.677 4.734 7.023 226 HB3 GLU 31 1HB GLU 31 5.076 4.292 6.049 227 HG2 GLU 31 2HG GLU 31 6.582 5.160 7.771 228 HG3 GLU 31 1HG GLU 31 5.208 5.687 8.738 229 H LEU 32 H LEU 32 2.552 5.497 5.247 230 HA LEU 32 HA LEU 32 3.239 5.176 2.528 231 HB2 LEU 32 2HB LEU 32 1.233 4.110 2.495 232 HB3 LEU 32 1HB LEU 32 1.041 4.552 4.188 233 HG LEU 32 HG LEU 32 0.195 6.397 1.941 234 HD11 LEU 32 1HD1 LEU 32 -1.352 4.173 3.259 235 HD12 LEU 32 2HD1 LEU 32 -1.081 4.460 1.540 236 HD13 LEU 32 3HD1 LEU 32 -2.129 5.542 2.455 237 HD21 LEU 32 3HD2 LEU 32 0.427 6.727 4.729 238 HD22 LEU 32 1HD2 LEU 32 -1.297 6.482 4.455 239 HD23 LEU 32 2HD2 LEU 32 -0.445 7.784 3.624 240 H GLY 33 H GLY 33 1.756 7.834 4.327 241 HA2 GLY 33 2HA GLY 33 0.936 9.404 2.171 242 HA3 GLY 33 1HA GLY 33 1.374 10.032 3.753 243 H THR 34 H THR 34 4.048 9.249 3.823 244 HA THR 34 HA THR 34 5.301 11.357 2.466 245 HB THR 34 HB THR 34 6.501 8.803 3.565 246 HG1 THR 34 1HG THR 34 6.593 9.861 5.424 247 HG21 THR 34 3HG2 THR 34 8.138 9.763 2.139 248 HG22 THR 34 1HG2 THR 34 8.544 10.349 3.752 249 HG23 THR 34 2HG2 THR 34 7.705 11.404 2.614 250 H VAL 35 H VAL 35 5.127 7.859 1.690 251 HA VAL 35 HA VAL 35 6.731 7.906 -0.605 252 HB VAL 35 HB VAL 35 4.308 6.175 -0.030 253 HG11 VAL 35 1HG1 VAL 35 5.649 4.535 -1.453 254 HG12 VAL 35 2HG1 VAL 35 6.644 5.910 -1.933 255 HG13 VAL 35 3HG1 VAL 35 4.924 5.889 -2.322 256 HG21 VAL 35 3HG2 VAL 35 7.221 5.565 0.513 257 HG22 VAL 35 1HG2 VAL 35 5.805 4.666 1.058 258 HG23 VAL 35 2HG2 VAL 35 6.151 6.256 1.734 259 H MET 36 H MET 36 3.346 8.732 -0.122 260 HA MET 36 HA MET 36 2.658 8.858 -2.896 261 HB2 MET 36 2HB MET 36 1.412 10.116 -0.452 262 HB3 MET 36 1HB MET 36 0.723 10.251 -2.069 263 HG2 MET 36 2HG MET 36 1.303 7.633 -0.649 264 HG3 MET 36 1HG MET 36 -0.278 8.397 -0.753 265 HE1 MET 36 3HE MET 36 2.549 6.652 -2.317 266 HE2 MET 36 1HE MET 36 1.887 5.876 -3.758 267 HE3 MET 36 2HE MET 36 1.299 5.420 -2.160 268 H ARG 37 H ARG 37 3.834 11.261 -0.596 269 HA ARG 37 HA ARG 37 3.629 13.445 -2.438 270 HB2 ARG 37 2HB ARG 37 3.950 13.351 0.229 271 HB3 ARG 37 1HB ARG 37 5.638 13.563 -0.229 272 HG2 ARG 37 2HG ARG 37 3.331 15.349 -1.067 273 HG3 ARG 37 1HG ARG 37 4.556 15.746 0.137 274 HD2 ARG 37 2HD ARG 37 6.281 15.329 -1.726 275 HD3 ARG 37 1HD ARG 37 4.912 15.381 -2.836 276 HE ARG 37 HE ARG 37 6.035 17.627 -1.352 277 HH11 ARG 37 1HH2 ARG 37 3.417 16.322 -3.209 278 HH12 ARG 37 2HH2 ARG 37 2.776 17.869 -3.649 279 HH21 ARG 37 1HH1 ARG 37 5.203 19.650 -1.922 280 HH22 ARG 37 2HH1 ARG 37 3.789 19.756 -2.914 281 H SER 38 H SER 38 6.371 11.462 -1.332 282 HA SER 38 HA SER 38 8.411 12.631 -2.789 283 HB2 SER 38 2HB SER 38 7.982 9.715 -2.118 284 HB3 SER 38 1HB SER 38 9.483 10.361 -2.773 285 HG SER 38 HG SER 38 9.414 11.850 -0.936 286 H LEU 39 H LEU 39 5.774 10.676 -3.913 287 HA LEU 39 HA LEU 39 6.978 10.081 -6.480 288 HB2 LEU 39 2HB LEU 39 4.221 9.679 -5.332 289 HB3 LEU 39 1HB LEU 39 4.638 9.245 -6.990 290 HG LEU 39 HG LEU 39 6.246 8.263 -4.619 291 HD11 LEU 39 1HD1 LEU 39 3.829 6.978 -5.921 292 HD12 LEU 39 2HD1 LEU 39 3.972 7.508 -4.247 293 HD13 LEU 39 3HD1 LEU 39 4.927 6.145 -4.820 294 HD21 LEU 39 3HD2 LEU 39 7.481 7.860 -6.586 295 HD22 LEU 39 1HD2 LEU 39 6.033 7.538 -7.542 296 HD23 LEU 39 2HD2 LEU 39 6.604 6.348 -6.372 297 H GLY 40 H GLY 40 5.276 12.713 -5.098 298 HA2 GLY 40 2HA GLY 40 5.129 14.823 -6.157 299 HA3 GLY 40 1HA GLY 40 5.182 14.028 -7.723 300 H GLN 41 H GLN 41 3.062 12.886 -5.181 301 HA GLN 41 HA GLN 41 0.750 13.479 -6.872 302 HB2 GLN 41 2HB GLN 41 1.071 11.856 -4.345 303 HB3 GLN 41 1HB GLN 41 -0.463 12.098 -5.167 304 HG2 GLN 41 2HG GLN 41 0.436 11.093 -7.213 305 HG3 GLN 41 1HG GLN 41 2.004 10.886 -6.442 306 HE21 GLN 41 1HE2 GLN 41 1.290 8.506 -7.185 307 HE22 GLN 41 2HE2 GLN 41 0.492 7.600 -5.993 308 H ASN 42 H ASN 42 -0.469 15.196 -6.607 309 HA ASN 42 HA ASN 42 -0.113 17.341 -5.055 310 HB2 ASN 42 2HB ASN 42 -2.943 16.395 -5.413 311 HB3 ASN 42 1HB ASN 42 -2.288 18.024 -5.558 312 HD21 ASN 42 1HD2 ASN 42 0.060 16.955 -7.168 313 HD22 ASN 42 2HD2 ASN 42 -0.579 16.672 -8.714 314 HA PRO 43 HA PRO 43 -0.741 16.577 -0.732 315 HB2 PRO 43 2HB PRO 43 -2.730 18.818 -0.713 316 HB3 PRO 43 1HB PRO 43 -1.295 18.577 0.303 317 HG2 PRO 43 2HG PRO 43 -1.321 20.359 -1.689 318 HG3 PRO 43 1HG PRO 43 0.134 19.435 -1.280 319 HD2 PRO 43 2HD PRO 43 -1.707 19.107 -3.612 320 HD3 PRO 43 1HD PRO 43 0.034 18.780 -3.483 321 H THR 44 H THR 44 -1.981 15.117 0.309 322 HA THR 44 HA THR 44 -4.828 15.124 0.298 323 HB THR 44 HB THR 44 -4.547 14.253 -1.965 324 HG1 THR 44 1HG THR 44 -5.447 12.612 0.103 325 HG21 THR 44 3HG2 THR 44 -3.057 11.909 -0.785 326 HG22 THR 44 1HG2 THR 44 -2.215 13.315 -1.437 327 HG23 THR 44 2HG2 THR 44 -3.246 12.339 -2.485 328 H GLU 45 H GLU 45 -2.405 14.889 2.014 329 HA GLU 45 HA GLU 45 -2.139 12.323 3.133 330 HB2 GLU 45 2HB GLU 45 -1.217 13.486 5.098 331 HB3 GLU 45 1HB GLU 45 -0.585 14.177 3.605 332 HG2 GLU 45 2HG GLU 45 -2.299 15.972 3.735 333 HG3 GLU 45 1HG GLU 45 -2.866 15.299 5.259 334 H ALA 46 H ALA 46 -4.749 14.489 3.197 335 HA ALA 46 HA ALA 46 -5.888 13.596 5.717 336 HB1 ALA 46 1HB ALA 46 -6.237 15.892 4.669 337 HB2 ALA 46 2HB ALA 46 -7.693 15.069 5.227 338 HB3 ALA 46 3HB ALA 46 -7.299 15.096 3.508 339 H GLU 47 H GLU 47 -6.373 13.032 2.271 340 HA GLU 47 HA GLU 47 -8.658 11.395 2.432 341 HB2 GLU 47 2HB GLU 47 -7.452 12.485 0.375 342 HB3 GLU 47 1HB GLU 47 -6.515 10.995 0.353 343 HG2 GLU 47 2HG GLU 47 -8.331 10.577 -1.109 344 HG3 GLU 47 1HG GLU 47 -8.783 9.775 0.392 345 H LEU 48 H LEU 48 -5.198 10.659 2.542 346 HA LEU 48 HA LEU 48 -5.404 7.830 2.636 347 HB2 LEU 48 2HB LEU 48 -3.330 9.850 3.439 348 HB3 LEU 48 1HB LEU 48 -3.094 8.149 3.834 349 HG LEU 48 HG LEU 48 -3.094 7.504 1.535 350 HD11 LEU 48 1HD1 LEU 48 -3.509 9.294 -0.268 351 HD12 LEU 48 2HD1 LEU 48 -4.199 10.278 1.020 352 HD13 LEU 48 3HD1 LEU 48 -4.930 8.727 0.607 353 HD21 LEU 48 3HD2 LEU 48 -1.564 9.711 0.660 354 HD22 LEU 48 1HD2 LEU 48 -0.969 8.250 1.434 355 HD23 LEU 48 2HD2 LEU 48 -1.336 9.666 2.405 356 H GLN 49 H GLN 49 -4.919 10.237 5.234 357 HA GLN 49 HA GLN 49 -4.958 8.564 7.424 358 HB2 GLN 49 2HB GLN 49 -6.042 11.348 7.041 359 HB3 GLN 49 1HB GLN 49 -6.087 10.548 8.612 360 HG2 GLN 49 2HG GLN 49 -3.686 10.320 8.642 361 HG3 GLN 49 1HG GLN 49 -3.555 10.870 6.976 362 HE21 GLN 49 1HE2 GLN 49 -2.588 12.915 7.093 363 HE22 GLN 49 2HE2 GLN 49 -3.091 14.157 8.135 364 H ASP 50 H ASP 50 -7.671 9.717 5.512 365 HA ASP 50 HA ASP 50 -9.730 8.779 7.246 366 HB2 ASP 50 2HB ASP 50 -9.902 10.485 5.356 367 HB3 ASP 50 1HB ASP 50 -9.960 9.104 4.262 368 H MET 51 H MET 51 -8.138 7.364 4.383 369 HA MET 51 HA MET 51 -9.746 5.051 4.196 370 HB2 MET 51 2HB MET 51 -6.873 5.533 3.396 371 HB3 MET 51 1HB MET 51 -7.796 4.097 2.949 372 HG2 MET 51 2HG MET 51 -9.444 5.470 1.789 373 HG3 MET 51 1HG MET 51 -8.625 6.942 2.309 374 HE1 MET 51 3HE MET 51 -7.416 8.029 -0.315 375 HE2 MET 51 1HE MET 51 -9.051 7.481 0.083 376 HE3 MET 51 2HE MET 51 -8.250 6.896 -1.373 377 H ILE 52 H ILE 52 -6.575 5.525 5.783 378 HA ILE 52 HA ILE 52 -6.427 2.890 6.826 379 HB ILE 52 HB ILE 52 -5.074 5.460 7.666 380 HG12 ILE 52 2HG1 ILE 52 -4.039 3.002 6.212 381 HG13 ILE 52 1HG1 ILE 52 -4.584 4.471 5.404 382 HG21 ILE 52 1HG2 ILE 52 -3.494 3.858 8.856 383 HG22 ILE 52 2HG2 ILE 52 -4.723 2.613 8.644 384 HG23 ILE 52 3HG2 ILE 52 -5.074 4.045 9.612 385 HD11 ILE 52 3HD1 ILE 52 -2.060 4.249 5.845 386 HD12 ILE 52 1HD1 ILE 52 -2.453 4.549 7.538 387 HD13 ILE 52 2HD1 ILE 52 -2.833 5.763 6.312 388 H ASN 53 H ASN 53 -7.611 5.943 8.164 389 HA ASN 53 HA ASN 53 -8.117 5.217 10.784 390 HB2 ASN 53 2HB ASN 53 -9.475 7.098 8.871 391 HB3 ASN 53 1HB ASN 53 -10.151 6.849 10.478 392 HD21 ASN 53 1HD2 ASN 53 -6.753 6.431 10.467 393 HD22 ASN 53 2HD2 ASN 53 -6.333 7.968 11.054 394 H GLU 54 H GLU 54 -9.888 4.342 7.878 395 HA GLU 54 HA GLU 54 -11.972 3.014 9.490 396 HB2 GLU 54 2HB GLU 54 -11.808 3.671 6.540 397 HB3 GLU 54 1HB GLU 54 -13.128 2.766 7.281 398 HG2 GLU 54 2HG GLU 54 -13.644 4.651 8.749 399 HG3 GLU 54 1HG GLU 54 -12.273 5.553 8.111 400 H VAL 55 H VAL 55 -9.554 2.334 6.956 401 HA VAL 55 HA VAL 55 -10.210 -0.403 6.647 402 HB VAL 55 HB VAL 55 -7.647 1.093 6.086 403 HG11 VAL 55 1HG1 VAL 55 -8.487 -1.750 5.507 404 HG12 VAL 55 2HG1 VAL 55 -7.012 -1.189 6.296 405 HG13 VAL 55 3HG1 VAL 55 -7.242 -0.926 4.568 406 HG21 VAL 55 3HG2 VAL 55 -9.684 0.016 4.126 407 HG22 VAL 55 1HG2 VAL 55 -8.426 1.226 3.844 408 HG23 VAL 55 2HG2 VAL 55 -9.839 1.626 4.825 409 H ASP 56 H ASP 56 -7.792 1.207 8.732 410 HA ASP 56 HA ASP 56 -6.339 -0.880 9.694 411 HB2 ASP 56 2HB ASP 56 -6.075 1.440 10.468 412 HB3 ASP 56 1HB ASP 56 -7.566 1.302 11.395 413 H ALA 57 H ALA 57 -6.616 -2.661 10.895 414 HA ALA 57 HA ALA 57 -9.243 -3.678 11.322 415 HB1 ALA 57 1HB ALA 57 -6.726 -4.803 12.534 416 HB2 ALA 57 2HB ALA 57 -7.117 -4.998 10.825 417 HB3 ALA 57 3HB ALA 57 -8.191 -5.660 12.057 418 H ASP 58 H ASP 58 -6.736 -2.499 13.587 419 HA ASP 58 HA ASP 58 -8.629 -2.789 15.820 420 HB2 ASP 58 2HB ASP 58 -5.674 -2.167 15.710 421 HB3 ASP 58 1HB ASP 58 -6.617 -2.158 17.199 422 H GLY 59 H GLY 59 -8.112 -0.509 13.551 423 HA2 GLY 59 2HA GLY 59 -8.557 1.759 13.431 424 HA3 GLY 59 1HA GLY 59 -9.388 1.573 14.974 425 H ASN 60 H ASN 60 -6.083 0.614 14.701 426 HA ASN 60 HA ASN 60 -5.243 2.376 16.786 427 HB2 ASN 60 2HB ASN 60 -3.766 0.476 14.953 428 HB3 ASN 60 1HB ASN 60 -2.985 1.373 16.250 429 HD21 ASN 60 1HD2 ASN 60 -5.808 0.976 17.710 430 HD22 ASN 60 2HD2 ASN 60 -5.631 -0.572 18.382 431 H GLY 61 H GLY 61 -5.330 2.517 13.352 432 HA2 GLY 61 2HA GLY 61 -5.146 4.691 12.287 433 HA3 GLY 61 1HA GLY 61 -3.842 5.075 13.405 434 H THR 62 H THR 62 -3.409 1.920 12.602 435 HA THR 62 HA THR 62 -1.806 2.490 10.171 436 HB THR 62 HB THR 62 0.065 1.259 11.058 437 HG1 THR 62 1HG THR 62 -0.091 0.413 13.207 438 HG21 THR 62 3HG2 THR 62 0.735 2.681 12.894 439 HG22 THR 62 1HG2 THR 62 -0.944 3.060 13.278 440 HG23 THR 62 2HG2 THR 62 -0.223 3.655 11.782 441 H ILE 63 H ILE 63 -1.084 0.451 9.112 442 HA ILE 63 HA ILE 63 -3.246 -1.572 9.200 443 HB ILE 63 HB ILE 63 -1.497 -0.697 6.900 444 HG12 ILE 63 2HG1 ILE 63 -4.510 -0.581 7.190 445 HG13 ILE 63 1HG1 ILE 63 -3.469 0.757 7.680 446 HG21 ILE 63 1HG2 ILE 63 -1.901 -3.086 6.713 447 HG22 ILE 63 2HG2 ILE 63 -2.991 -2.264 5.599 448 HG23 ILE 63 3HG2 ILE 63 -3.599 -2.871 7.138 449 HD11 ILE 63 3HD1 ILE 63 -2.726 1.144 5.513 450 HD12 ILE 63 1HD1 ILE 63 -4.428 0.751 5.276 451 HD13 ILE 63 2HD1 ILE 63 -3.191 -0.468 4.958 452 H ASP 64 H ASP 64 -2.747 -3.606 9.499 453 HA ASP 64 HA ASP 64 -0.008 -4.277 10.266 454 HB2 ASP 64 2HB ASP 64 -2.606 -5.800 10.458 455 HB3 ASP 64 1HB ASP 64 -1.052 -6.471 10.943 456 H PHE 65 H PHE 65 0.690 -6.601 9.698 457 HA PHE 65 HA PHE 65 1.412 -6.717 7.018 458 HB2 PHE 65 2HB PHE 65 1.518 -8.544 9.350 459 HB3 PHE 65 1HB PHE 65 1.646 -9.333 7.782 460 HD1 PHE 65 1HD PHE 65 3.312 -8.161 6.088 461 HD2 PHE 65 2HD PHE 65 3.441 -7.702 10.351 462 HE1 PHE 65 1HE PHE 65 5.687 -7.500 5.943 463 HE2 PHE 65 2HE PHE 65 5.814 -7.022 10.207 464 HZ PHE 65 HZ PHE 65 6.939 -6.922 8.000 465 HA PRO 66 HA PRO 66 -1.767 -10.268 6.154 466 HB2 PRO 66 2HB PRO 66 -3.876 -10.414 7.989 467 HB3 PRO 66 1HB PRO 66 -2.454 -11.473 7.975 468 HG2 PRO 66 2HG PRO 66 -2.995 -9.049 9.626 469 HG3 PRO 66 1HG PRO 66 -2.214 -10.575 10.083 470 HD2 PRO 66 2HD PRO 66 -0.747 -8.368 9.604 471 HD3 PRO 66 1HD PRO 66 -0.171 -9.978 9.114 472 H GLU 67 H GLU 67 -3.255 -7.552 7.901 473 HA GLU 67 HA GLU 67 -5.575 -7.227 6.477 474 HB2 GLU 67 2HB GLU 67 -3.697 -5.151 7.606 475 HB3 GLU 67 1HB GLU 67 -5.301 -4.765 6.982 476 HG2 GLU 67 2HG GLU 67 -4.796 -6.832 9.136 477 HG3 GLU 67 1HG GLU 67 -5.218 -5.156 9.475 478 H PHE 68 H PHE 68 -2.404 -5.821 5.682 479 HA PHE 68 HA PHE 68 -3.198 -4.546 3.307 480 HB2 PHE 68 2HB PHE 68 -1.052 -4.165 4.535 481 HB3 PHE 68 1HB PHE 68 -0.474 -5.702 3.888 482 HD1 PHE 68 2HD PHE 68 -0.475 -6.025 1.339 483 HD2 PHE 68 1HD PHE 68 -0.970 -2.196 3.224 484 HE1 PHE 68 2HE PHE 68 0.128 -4.902 -0.784 485 HE2 PHE 68 1HE PHE 68 -0.369 -1.075 1.096 486 HZ PHE 68 HZ PHE 68 0.178 -2.430 -0.906 487 H LEU 69 H LEU 69 -1.762 -7.737 3.873 488 HA LEU 69 HA LEU 69 -1.539 -8.601 1.234 489 HB2 LEU 69 2HB LEU 69 -0.524 -9.948 2.865 490 HB3 LEU 69 1HB LEU 69 -1.983 -10.034 3.843 491 HG LEU 69 HG LEU 69 -2.137 -11.174 1.078 492 HD11 LEU 69 1HD1 LEU 69 -0.076 -12.180 1.581 493 HD12 LEU 69 2HD1 LEU 69 -1.242 -13.385 2.114 494 HD13 LEU 69 3HD1 LEU 69 -0.457 -12.338 3.295 495 HD21 LEU 69 3HD2 LEU 69 -3.947 -11.128 3.006 496 HD22 LEU 69 1HD2 LEU 69 -3.055 -12.513 3.620 497 HD23 LEU 69 2HD2 LEU 69 -3.773 -12.569 2.010 498 H THR 70 H THR 70 -4.386 -8.258 3.241 499 HA THR 70 HA THR 70 -6.039 -9.876 1.473 500 HB THR 70 HB THR 70 -6.820 -8.133 3.810 501 HG1 THR 70 1HG THR 70 -5.293 -10.123 3.930 502 HG21 THR 70 3HG2 THR 70 -8.212 -10.315 2.246 503 HG22 THR 70 1HG2 THR 70 -8.731 -8.642 2.451 504 HG23 THR 70 2HG2 THR 70 -8.772 -9.752 3.822 505 H MET 71 H MET 71 -6.486 -6.551 2.692 506 HA MET 71 HA MET 71 -8.310 -5.700 0.829 507 HB2 MET 71 2HB MET 71 -7.867 -3.499 1.489 508 HB3 MET 71 1HB MET 71 -7.382 -4.460 2.881 509 HG2 MET 71 2HG MET 71 -5.029 -4.375 2.090 510 HG3 MET 71 1HG MET 71 -5.516 -3.346 0.750 511 HE1 MET 71 3HE MET 71 -6.756 -3.213 4.685 512 HE2 MET 71 1HE MET 71 -5.267 -2.416 5.195 513 HE3 MET 71 2HE MET 71 -5.202 -3.971 4.373 514 H MET 72 H MET 72 -5.054 -6.525 0.185 515 HA MET 72 HA MET 72 -4.915 -4.861 -2.223 516 HB2 MET 72 2HB MET 72 -2.656 -5.413 -2.342 517 HB3 MET 72 1HB MET 72 -2.964 -5.330 -0.613 518 HG2 MET 72 2HG MET 72 -1.858 -7.348 -0.708 519 HG3 MET 72 1HG MET 72 -3.501 -7.921 -0.944 520 HE1 MET 72 3HE MET 72 -0.563 -6.283 -2.940 521 HE2 MET 72 1HE MET 72 -0.066 -7.663 -3.927 522 HE3 MET 72 2HE MET 72 -0.002 -7.763 -2.168 523 H ALA 73 H ALA 73 -5.618 -8.128 -1.259 524 HA ALA 73 HA ALA 73 -5.326 -9.269 -3.906 525 HB1 ALA 73 1HB ALA 73 -6.399 -10.303 -1.282 526 HB2 ALA 73 2HB ALA 73 -4.895 -10.740 -2.088 527 HB3 ALA 73 3HB ALA 73 -6.437 -11.257 -2.765 528 H ARG 74 H ARG 74 -7.291 -7.016 -3.349 529 HA ARG 74 HA ARG 74 -9.861 -8.300 -3.928 530 HB2 ARG 74 2HB ARG 74 -9.086 -5.417 -3.434 531 HB3 ARG 74 1HB ARG 74 -10.732 -5.957 -3.772 532 HG2 ARG 74 2HG ARG 74 -10.691 -7.414 -1.800 533 HG3 ARG 74 1HG ARG 74 -9.018 -6.964 -1.478 534 HD2 ARG 74 2HD ARG 74 -10.462 -5.652 -0.039 535 HD3 ARG 74 1HD ARG 74 -9.744 -4.588 -1.250 536 HE ARG 74 HE ARG 74 -12.226 -5.525 -2.219 537 HH11 ARG 74 1HH2 ARG 74 -10.894 -3.516 0.275 538 HH12 ARG 74 2HH2 ARG 74 -12.265 -2.460 0.343 539 HH21 ARG 74 1HH1 ARG 74 -14.023 -4.140 -2.126 540 HH22 ARG 74 2HH1 ARG 74 -14.033 -2.813 -1.015 541 H LYS 75 H LYS 75 -7.267 -7.627 -5.695 542 HA LYS 75 HA LYS 75 -8.844 -7.157 -8.144 543 HB2 LYS 75 2HB LYS 75 -7.073 -5.610 -8.972 544 HB3 LYS 75 1HB LYS 75 -7.949 -4.975 -7.577 545 HG2 LYS 75 2HG LYS 75 -6.125 -5.811 -6.096 546 HG3 LYS 75 1HG LYS 75 -5.236 -6.326 -7.527 547 HD2 LYS 75 2HD LYS 75 -5.242 -3.986 -8.356 548 HD3 LYS 75 1HD LYS 75 -6.079 -3.484 -6.887 549 HE2 LYS 75 2HE LYS 75 -3.366 -4.837 -6.960 550 HE3 LYS 75 1HE LYS 75 -3.626 -3.107 -6.732 551 HZ1 LYS 75 3HZ LYS 75 -4.738 -3.495 -4.706 552 HZ2 LYS 75 1HZ LYS 75 -3.336 -4.446 -4.651 553 HZ3 LYS 75 2HZ LYS 75 -4.841 -5.168 -4.979 554 H MET 76 H MET 76 -8.069 -8.173 -9.960 555 HA MET 76 HA MET 76 -5.795 -10.032 -9.577 556 HB2 MET 76 2HB MET 76 -8.338 -10.315 -11.191 557 HB3 MET 76 1HB MET 76 -6.966 -11.411 -11.353 558 HG2 MET 76 2HG MET 76 -7.127 -11.986 -8.964 559 HG3 MET 76 1HG MET 76 -8.481 -10.868 -8.778 560 HE1 MET 76 3HE MET 76 -6.937 -13.640 -10.590 561 HE2 MET 76 1HE MET 76 -8.006 -13.552 -11.998 562 HE3 MET 76 2HE MET 76 -8.174 -14.868 -10.840 563 H LYS 77 H LYS 77 -7.357 -7.700 -11.645 564 HA LYS 77 HA LYS 77 -5.504 -8.037 -13.844 565 HB2 LYS 77 2HB LYS 77 -7.629 -5.957 -13.284 566 HB3 LYS 77 1HB LYS 77 -6.717 -6.072 -14.785 567 HG2 LYS 77 2HG LYS 77 -7.565 -8.388 -15.102 568 HG3 LYS 77 1HG LYS 77 -8.526 -8.219 -13.636 569 HD2 LYS 77 2HD LYS 77 -8.801 -6.303 -15.960 570 HD3 LYS 77 1HD LYS 77 -9.737 -7.792 -15.866 571 HE2 LYS 77 2HE LYS 77 -10.543 -7.027 -13.582 572 HE3 LYS 77 1HE LYS 77 -9.779 -5.472 -13.909 573 HZ1 LYS 77 3HZ LYS 77 -11.491 -6.491 -16.022 574 HZ2 LYS 77 1HZ LYS 77 -11.342 -4.918 -15.404 575 HZ3 LYS 77 2HZ LYS 77 -12.289 -6.063 -14.582 576 H1 GLY 45 1HT GLY 45 -12.215 2.258 -8.383 577 H2 GLY 45 2HT GLY 45 -13.722 1.626 -8.849 578 H3 GLY 45 3HT GLY 45 -13.587 2.556 -7.433 579 HA2 GLY 45 2HA GLY 45 -13.558 3.427 -10.241 580 HA3 GLY 45 1HA GLY 45 -14.457 4.098 -8.878 581 H THR 46 H THR 46 -13.108 5.098 -7.118 582 HA THR 46 HA THR 46 -10.540 6.189 -8.095 583 HB THR 46 HB THR 46 -11.119 8.427 -7.402 584 HG1 THR 46 1HG THR 46 -13.762 8.015 -6.969 585 HG21 THR 46 3HG2 THR 46 -13.366 7.234 -9.054 586 HG22 THR 46 1HG2 THR 46 -11.808 7.773 -9.679 587 HG23 THR 46 2HG2 THR 46 -12.931 8.942 -8.986 588 H GLY 47 H GLY 47 -9.138 6.943 -6.431 589 HA2 GLY 47 2HA GLY 47 -8.039 6.690 -4.424 590 HA3 GLY 47 1HA GLY 47 -9.620 6.910 -3.687 591 H ALA 48 H ALA 48 -9.266 5.412 -2.065 592 HA ALA 48 HA ALA 48 -8.819 3.336 -1.100 593 HB1 ALA 48 1HB ALA 48 -11.167 2.996 -2.960 594 HB2 ALA 48 2HB ALA 48 -11.180 3.339 -1.231 595 HB3 ALA 48 3HB ALA 48 -10.683 1.750 -1.809 596 H ALA 49 H ALA 49 -10.031 1.483 -3.704 597 HA ALA 49 HA ALA 49 -7.801 -0.213 -3.836 598 HB1 ALA 49 1HB ALA 49 -10.047 0.254 -5.806 599 HB2 ALA 49 2HB ALA 49 -9.963 -0.991 -4.560 600 HB3 ALA 49 3HB ALA 49 -8.874 -1.056 -5.945 601 H LEU 50 H LEU 50 -8.743 2.504 -5.903 602 HA LEU 50 HA LEU 50 -6.718 2.203 -7.849 603 HB2 LEU 50 2HB LEU 50 -8.681 3.628 -8.201 604 HB3 LEU 50 1HB LEU 50 -8.157 4.694 -6.900 605 HG LEU 50 HG LEU 50 -6.128 5.278 -8.158 606 HD11 LEU 50 1HD1 LEU 50 -6.199 4.477 -10.667 607 HD12 LEU 50 2HD1 LEU 50 -7.172 3.155 -10.022 608 HD13 LEU 50 3HD1 LEU 50 -5.530 3.413 -9.435 609 HD21 LEU 50 3HD2 LEU 50 -8.038 6.688 -8.568 610 HD22 LEU 50 1HD2 LEU 50 -8.742 5.512 -9.677 611 HD23 LEU 50 2HD2 LEU 50 -7.278 6.387 -10.131 612 H SER 51 H SER 51 -6.857 4.001 -4.808 613 HA SER 51 HA SER 51 -4.396 5.349 -5.005 614 HB2 SER 51 2HB SER 51 -6.109 5.879 -3.320 615 HB3 SER 51 1HB SER 51 -5.836 4.319 -2.548 616 HG SER 51 HG SER 51 -4.557 5.703 -1.455 617 H TRP 52 H TRP 52 -5.245 2.214 -3.598 618 HA TRP 52 HA TRP 52 -2.614 1.569 -2.735 619 HB2 TRP 52 2HB TRP 52 -5.100 -0.070 -3.234 620 HB3 TRP 52 1HB TRP 52 -3.595 -0.790 -2.665 621 HD1 TRP 52 HD TRP 52 -6.686 0.538 -1.362 622 HE1 TRP 52 1HE TRP 52 -6.470 1.262 1.102 623 HE3 TRP 52 3HE TRP 52 -1.589 0.621 -0.897 624 HZ2 TRP 52 2HZ TRP 52 -4.425 1.802 3.016 625 HZ3 TRP 52 3HZ TRP 52 -0.540 1.246 1.255 626 HH2 TRP 52 HH TRP 52 -1.939 1.833 3.213 627 H GLN 53 H GLN 53 -4.491 0.773 -5.645 628 HA GLN 53 HA GLN 53 -2.642 -0.985 -6.826 629 HB2 GLN 53 2HB GLN 53 -4.995 -0.691 -7.576 630 HB3 GLN 53 1HB GLN 53 -4.565 0.892 -8.227 631 HG2 GLN 53 2HG GLN 53 -2.930 -0.146 -9.734 632 HG3 GLN 53 1HG GLN 53 -3.292 -1.732 -9.057 633 HE21 GLN 53 1HE2 GLN 53 -3.654 -1.170 -11.845 634 HE22 GLN 53 2HE2 GLN 53 -5.316 -1.227 -12.185 635 H ALA 54 H ALA 54 -3.073 2.533 -7.336 636 HA ALA 54 HA ALA 54 -0.920 2.801 -9.158 637 HB1 ALA 54 1HB ALA 54 -2.274 4.815 -7.354 638 HB2 ALA 54 2HB ALA 54 -2.600 4.516 -9.062 639 HB3 ALA 54 3HB ALA 54 -1.069 5.241 -8.571 640 H ALA 55 H ALA 55 -1.102 3.009 -5.640 641 HA ALA 55 HA ALA 55 1.459 4.085 -5.170 642 HB1 ALA 55 1HB ALA 55 1.193 2.996 -2.906 643 HB2 ALA 55 2HB ALA 55 -0.308 2.290 -3.501 644 HB3 ALA 55 3HB ALA 55 -0.142 4.041 -3.386 645 H ILE 56 H ILE 56 0.348 0.716 -5.366 646 HA ILE 56 HA ILE 56 2.838 -0.500 -4.805 647 HB ILE 56 HB ILE 56 0.413 -1.460 -6.342 648 HG12 ILE 56 2HG1 ILE 56 1.433 -2.261 -3.604 649 HG13 ILE 56 1HG1 ILE 56 0.275 -0.950 -3.845 650 HG21 ILE 56 1HG2 ILE 56 1.461 -3.756 -5.865 651 HG22 ILE 56 2HG2 ILE 56 2.968 -2.887 -5.576 652 HG23 ILE 56 3HG2 ILE 56 2.195 -2.810 -7.159 653 HD11 ILE 56 3HD1 ILE 56 -0.098 -3.846 -4.669 654 HD12 ILE 56 1HD1 ILE 56 -1.235 -2.547 -5.023 655 HD13 ILE 56 2HD1 ILE 56 -0.930 -3.020 -3.352 656 H ASP 57 H ASP 57 1.278 0.426 -7.856 657 HA ASP 57 HA ASP 57 3.218 -0.628 -9.603 658 HB2 ASP 57 2HB ASP 57 1.267 1.659 -9.860 659 HB3 ASP 57 1HB ASP 57 2.295 1.133 -11.191 660 H ALA 58 H ALA 58 2.903 2.606 -8.149 661 HA ALA 58 HA ALA 58 5.232 3.673 -9.400 662 HB1 ALA 58 1HB ALA 58 3.256 4.928 -8.315 663 HB2 ALA 58 2HB ALA 58 4.878 5.580 -8.076 664 HB3 ALA 58 3HB ALA 58 4.100 4.657 -6.790 665 H ALA 59 H ALA 59 4.617 2.134 -6.268 666 HA ALA 59 HA ALA 59 7.182 2.566 -5.148 667 HB1 ALA 59 1HB ALA 59 5.028 1.769 -3.988 668 HB2 ALA 59 2HB ALA 59 6.538 1.016 -3.480 669 HB3 ALA 59 3HB ALA 59 5.453 0.161 -4.575 670 H ARG 60 H ARG 60 5.833 -0.019 -7.137 671 HA ARG 60 HA ARG 60 8.045 -1.777 -7.045 672 HB2 ARG 60 2HB ARG 60 5.825 -1.353 -9.041 673 HB3 ARG 60 1HB ARG 60 7.029 -2.628 -9.217 674 HG2 ARG 60 2HG ARG 60 5.610 -2.374 -6.577 675 HG3 ARG 60 1HG ARG 60 4.732 -3.079 -7.933 676 HD2 ARG 60 2HD ARG 60 7.451 -4.019 -6.973 677 HD3 ARG 60 1HD ARG 60 5.917 -4.804 -6.586 678 HE ARG 60 HE ARG 60 5.972 -4.575 -9.341 679 HH11 ARG 60 1HH2 ARG 60 7.965 -6.015 -6.898 680 HH12 ARG 60 2HH2 ARG 60 8.441 -7.349 -7.890 681 HH21 ARG 60 1HH1 ARG 60 6.591 -6.301 -10.632 682 HH22 ARG 60 2HH1 ARG 60 7.660 -7.510 -10.011 683 H GLN 61 H GLN 61 7.185 0.863 -9.258 684 HA GLN 61 HA GLN 61 9.345 0.472 -11.060 685 HB2 GLN 61 2HB GLN 61 7.316 1.850 -11.551 686 HB3 GLN 61 1HB GLN 61 7.908 3.061 -10.412 687 HG2 GLN 61 2HG GLN 61 9.942 3.361 -11.739 688 HG3 GLN 61 1HG GLN 61 9.424 2.097 -12.854 689 HE21 GLN 61 1HE2 GLN 61 9.923 4.739 -13.802 690 HE22 GLN 61 2HE2 GLN 61 8.450 5.432 -14.278 691 H ALA 62 H ALA 62 8.945 2.400 -8.123 692 HA ALA 62 HA ALA 62 11.423 3.763 -8.233 693 HB1 ALA 62 1HB ALA 62 11.062 4.022 -5.745 694 HB2 ALA 62 2HB ALA 62 9.627 3.012 -5.919 695 HB3 ALA 62 3HB ALA 62 9.717 4.567 -6.749 696 H LYS 63 H LYS 63 10.447 0.739 -6.626 697 HA LYS 63 HA LYS 63 12.946 0.168 -5.436 698 HB2 LYS 63 2HB LYS 63 10.824 -0.953 -4.811 699 HB3 LYS 63 1HB LYS 63 10.810 -1.772 -6.372 700 HG2 LYS 63 2HG LYS 63 12.968 -2.851 -5.831 701 HG3 LYS 63 1HG LYS 63 12.986 -2.026 -4.271 702 HD2 LYS 63 2HD LYS 63 10.879 -3.158 -3.650 703 HD3 LYS 63 1HD LYS 63 10.876 -3.995 -5.204 704 HE2 LYS 63 2HE LYS 63 13.041 -5.043 -4.643 705 HE3 LYS 63 1HE LYS 63 13.033 -4.220 -3.081 706 HZ1 LYS 63 3HZ LYS 63 12.167 -6.332 -2.661 707 HZ2 LYS 63 1HZ LYS 63 11.199 -6.324 -4.051 708 HZ3 LYS 63 2HZ LYS 63 10.798 -5.328 -2.735 709 H LEU 64 H LEU 64 11.516 -0.865 -8.528 710 HA LEU 64 HA LEU 64 13.674 -2.480 -9.352 711 HB2 LEU 64 2HB LEU 64 11.476 -2.633 -10.404 712 HB3 LEU 64 1HB LEU 64 11.623 -0.985 -11.006 713 HG LEU 64 HG LEU 64 13.543 -1.630 -12.395 714 HD11 LEU 64 1HD1 LEU 64 14.685 -3.329 -11.257 715 HD12 LEU 64 2HD1 LEU 64 13.898 -4.234 -12.548 716 HD13 LEU 64 3HD1 LEU 64 13.210 -4.238 -10.924 717 HD21 LEU 64 3HD2 LEU 64 12.358 -2.982 -14.008 718 HD22 LEU 64 1HD2 LEU 64 11.172 -1.945 -13.214 719 HD23 LEU 64 2HD2 LEU 64 11.305 -3.644 -12.759 720 H MET 65 H MET 65 12.952 0.946 -9.946 721 HA MET 65 HA MET 65 15.145 1.424 -11.679 722 HB2 MET 65 2HB MET 65 13.406 3.215 -9.986 723 HB3 MET 65 1HB MET 65 14.726 3.857 -10.964 724 HG2 MET 65 2HG MET 65 12.514 2.108 -12.076 725 HG3 MET 65 1HG MET 65 12.478 3.868 -12.121 726 HE1 MET 65 3HE MET 65 13.311 5.063 -14.447 727 HE2 MET 65 1HE MET 65 15.080 5.034 -14.412 728 HE3 MET 65 2HE MET 65 14.170 5.281 -12.926 729 H GLY 66 H GLY 66 14.773 1.639 -8.171 730 HA2 GLY 66 2HA GLY 66 16.414 1.512 -6.536 731 HA3 GLY 66 1HA GLY 66 17.626 1.425 -7.806 732 H SER 67 H SER 67 15.692 4.033 -8.497 733 HA SER 67 HA SER 67 16.902 5.951 -6.683 734 HB2 SER 67 2HB SER 67 18.305 7.074 -8.174 735 HB3 SER 67 1HB SER 67 18.598 5.386 -8.588 736 HG SER 67 HG SER 67 16.479 6.239 -9.950 737 H ALA 68 H ALA 68 16.188 8.177 -7.163 738 HA ALA 68 HA ALA 68 14.055 8.628 -9.031 739 HB1 ALA 68 1HB ALA 68 12.843 7.346 -7.289 740 HB2 ALA 68 2HB ALA 68 12.277 9.012 -7.398 741 HB3 ALA 68 3HB ALA 68 13.353 8.531 -6.087 Start of MODEL 6 1 H1 ALA 1 1HT ALA 1 -3.280 -14.671 -12.680 2 H2 ALA 1 2HT ALA 1 -3.277 -14.376 -11.006 3 H3 ALA 1 3HT ALA 1 -2.007 -13.798 -11.976 4 HA ALA 1 HA ALA 1 -3.147 -11.875 -11.904 5 HB1 ALA 1 2HB ALA 1 -3.310 -12.467 -14.243 6 HB2 ALA 1 3HB ALA 1 -4.866 -11.788 -13.761 7 HB3 ALA 1 1HB ALA 1 -4.679 -13.534 -13.925 8 H ASP 2 H ASP 2 -5.854 -14.097 -12.449 9 HA ASP 2 HA ASP 2 -7.471 -12.674 -10.486 10 HB2 ASP 2 2HB ASP 2 -9.282 -14.152 -11.369 11 HB3 ASP 2 1HB ASP 2 -8.489 -13.205 -12.628 12 H GLN 3 H GLN 3 -5.213 -14.957 -10.183 13 HA GLN 3 HA GLN 3 -6.591 -16.278 -7.921 14 HB2 GLN 3 2HB GLN 3 -4.891 -17.605 -10.045 15 HB3 GLN 3 1HB GLN 3 -5.321 -18.370 -8.513 16 HG2 GLN 3 2HG GLN 3 -7.699 -18.147 -9.031 17 HG3 GLN 3 1HG GLN 3 -7.315 -17.295 -10.524 18 HE21 GLN 3 1HE2 GLN 3 -4.913 -19.566 -10.219 19 HE22 GLN 3 2HE2 GLN 3 -5.616 -20.832 -11.103 20 H LEU 4 H LEU 4 -5.064 -17.199 -6.338 21 HA LEU 4 HA LEU 4 -2.898 -15.334 -5.840 22 HB2 LEU 4 2HB LEU 4 -4.477 -16.125 -4.064 23 HB3 LEU 4 1HB LEU 4 -3.767 -17.728 -4.202 24 HG LEU 4 HG LEU 4 -1.789 -15.538 -3.829 25 HD11 LEU 4 1HD1 LEU 4 -3.780 -16.215 -1.650 26 HD12 LEU 4 2HD1 LEU 4 -3.458 -14.629 -2.352 27 HD13 LEU 4 3HD1 LEU 4 -2.231 -15.419 -1.363 28 HD21 LEU 4 3HD2 LEU 4 -0.639 -17.147 -2.565 29 HD22 LEU 4 1HD2 LEU 4 -1.484 -18.134 -3.755 30 HD23 LEU 4 2HD2 LEU 4 -2.118 -18.001 -2.118 31 H THR 5 H THR 5 -0.738 -16.163 -5.079 32 HA THR 5 HA THR 5 0.198 -18.729 -5.824 33 HB THR 5 HB THR 5 -0.224 -17.487 -8.082 34 HG1 THR 5 1HG THR 5 0.877 -19.350 -8.152 35 HG21 THR 5 3HG2 THR 5 1.057 -15.432 -7.157 36 HG22 THR 5 1HG2 THR 5 1.427 -15.953 -8.801 37 HG23 THR 5 2HG2 THR 5 2.512 -16.376 -7.478 38 H GLU 6 H GLU 6 2.731 -18.669 -5.923 39 HA GLU 6 HA GLU 6 3.731 -17.728 -3.520 40 HB2 GLU 6 2HB GLU 6 4.834 -19.416 -4.996 41 HB3 GLU 6 1HB GLU 6 5.292 -18.113 -6.092 42 HG2 GLU 6 2HG GLU 6 6.583 -17.034 -4.297 43 HG3 GLU 6 1HG GLU 6 6.109 -18.309 -3.176 44 H GLU 7 H GLU 7 4.229 -16.253 -6.729 45 HA GLU 7 HA GLU 7 5.613 -14.015 -6.062 46 HB2 GLU 7 2HB GLU 7 5.006 -14.489 -8.338 47 HB3 GLU 7 1HB GLU 7 3.299 -14.281 -7.979 48 HG2 GLU 7 2HG GLU 7 4.069 -12.300 -9.079 49 HG3 GLU 7 1HG GLU 7 3.777 -11.885 -7.404 50 H GLN 8 H GLN 8 2.040 -14.230 -6.019 51 HA GLN 8 HA GLN 8 1.327 -11.775 -5.193 52 HB2 GLN 8 2HB GLN 8 -0.090 -13.831 -5.653 53 HB3 GLN 8 1HB GLN 8 0.123 -14.233 -3.953 54 HG2 GLN 8 2HG GLN 8 -1.915 -12.985 -4.071 55 HG3 GLN 8 1HG GLN 8 -0.714 -11.878 -3.417 56 HE21 GLN 8 1HE2 GLN 8 -1.644 -9.916 -4.247 57 HE22 GLN 8 2HE2 GLN 8 -1.770 -9.598 -5.911 58 H ILE 9 H ILE 9 1.924 -14.401 -2.810 59 HA ILE 9 HA ILE 9 1.636 -12.754 -0.582 60 HB ILE 9 HB ILE 9 3.133 -14.488 0.585 61 HG12 ILE 9 2HG1 ILE 9 2.844 -15.820 -2.124 62 HG13 ILE 9 1HG1 ILE 9 4.347 -15.115 -1.528 63 HG21 ILE 9 1HG2 ILE 9 0.735 -15.410 -1.024 64 HG22 ILE 9 2HG2 ILE 9 0.665 -14.589 0.538 65 HG23 ILE 9 3HG2 ILE 9 1.370 -16.203 0.415 66 HD11 ILE 9 3HD1 ILE 9 4.528 -16.708 0.223 67 HD12 ILE 9 1HD1 ILE 9 4.067 -17.628 -1.206 68 HD13 ILE 9 2HD1 ILE 9 2.861 -17.242 0.014 69 H ALA 10 H ALA 10 4.630 -13.582 -2.342 70 HA ALA 10 HA ALA 10 6.384 -12.063 -0.743 71 HB1 ALA 10 1HB ALA 10 7.977 -12.416 -2.440 72 HB2 ALA 10 2HB ALA 10 6.747 -12.472 -3.705 73 HB3 ALA 10 3HB ALA 10 6.906 -13.811 -2.567 74 H GLU 11 H GLU 11 4.340 -11.265 -3.464 75 HA GLU 11 HA GLU 11 5.360 -8.749 -4.135 76 HB2 GLU 11 2HB GLU 11 3.582 -10.181 -5.329 77 HB3 GLU 11 1HB GLU 11 2.424 -9.432 -4.229 78 HG2 GLU 11 2HG GLU 11 2.454 -8.104 -6.230 79 HG3 GLU 11 1HG GLU 11 3.309 -7.185 -4.994 80 H PHE 12 H PHE 12 2.763 -9.594 -1.821 81 HA PHE 12 HA PHE 12 2.239 -6.919 -1.066 82 HB2 PHE 12 2HB PHE 12 0.557 -7.908 0.088 83 HB3 PHE 12 1HB PHE 12 1.158 -9.434 -0.551 84 HD1 PHE 12 2HD PHE 12 1.805 -7.014 2.244 85 HD2 PHE 12 1HD PHE 12 1.793 -11.107 0.965 86 HE1 PHE 12 2HE PHE 12 2.412 -7.736 4.526 87 HE2 PHE 12 1HE PHE 12 2.396 -11.833 3.255 88 HZ PHE 12 HZ PHE 12 2.711 -10.148 5.039 89 H LYS 13 H LYS 13 4.428 -9.391 0.247 90 HA LYS 13 HA LYS 13 5.228 -8.027 2.556 91 HB2 LYS 13 2HB LYS 13 5.771 -10.445 1.572 92 HB3 LYS 13 1HB LYS 13 7.218 -9.636 0.987 93 HG2 LYS 13 2HG LYS 13 6.324 -9.555 3.884 94 HG3 LYS 13 1HG LYS 13 7.459 -10.741 3.248 95 HD2 LYS 13 2HD LYS 13 8.907 -8.870 2.458 96 HD3 LYS 13 1HD LYS 13 7.815 -7.741 3.254 97 HE2 LYS 13 2HE LYS 13 8.199 -8.861 5.403 98 HE3 LYS 13 1HE LYS 13 9.324 -9.968 4.615 99 HZ1 LYS 13 3HZ LYS 13 10.201 -7.812 5.752 100 HZ2 LYS 13 1HZ LYS 13 9.715 -7.076 4.303 101 HZ3 LYS 13 2HZ LYS 13 10.865 -8.328 4.275 102 H GLU 14 H GLU 14 6.586 -7.952 -0.742 103 HA GLU 14 HA GLU 14 8.682 -6.156 -0.240 104 HB2 GLU 14 2HB GLU 14 7.036 -6.633 -2.725 105 HB3 GLU 14 1HB GLU 14 8.474 -5.615 -2.688 106 HG2 GLU 14 2HG GLU 14 9.829 -7.507 -1.929 107 HG3 GLU 14 1HG GLU 14 8.399 -8.530 -1.868 108 H ALA 15 H ALA 15 5.420 -5.467 -1.541 109 HA ALA 15 HA ALA 15 5.631 -2.689 -1.597 110 HB1 ALA 15 1HB ALA 15 3.077 -4.130 -0.900 111 HB2 ALA 15 2HB ALA 15 3.774 -4.214 -2.518 112 HB3 ALA 15 3HB ALA 15 3.285 -2.659 -1.848 113 H PHE 16 H PHE 16 4.607 -4.837 1.026 114 HA PHE 16 HA PHE 16 3.833 -2.880 2.881 115 HB2 PHE 16 2HB PHE 16 3.236 -4.947 3.665 116 HB3 PHE 16 1HB PHE 16 4.626 -5.734 2.940 117 HD1 PHE 16 1HD PHE 16 4.050 -3.085 5.554 118 HD2 PHE 16 2HD PHE 16 6.089 -6.707 4.467 119 HE1 PHE 16 1HE PHE 16 5.254 -3.065 7.721 120 HE2 PHE 16 2HE PHE 16 7.283 -6.688 6.633 121 HZ PHE 16 HZ PHE 16 6.875 -4.862 8.247 122 H SER 17 H SER 17 6.983 -4.472 2.466 123 HA SER 17 HA SER 17 8.381 -3.136 4.469 124 HB2 SER 17 2HB SER 17 9.314 -4.253 1.823 125 HB3 SER 17 1HB SER 17 10.416 -3.636 3.053 126 HG SER 17 HG SER 17 9.341 -6.031 2.906 127 H LEU 18 H LEU 18 7.618 -2.119 1.172 128 HA LEU 18 HA LEU 18 9.398 0.097 1.099 129 HB2 LEU 18 2HB LEU 18 6.838 -0.454 -0.405 130 HB3 LEU 18 1HB LEU 18 7.899 0.914 -0.743 131 HG LEU 18 HG LEU 18 8.769 -1.990 -0.816 132 HD11 LEU 18 1HD1 LEU 18 8.555 -1.952 -3.164 133 HD12 LEU 18 2HD1 LEU 18 8.408 -0.196 -3.211 134 HD13 LEU 18 3HD1 LEU 18 7.080 -1.174 -2.597 135 HD21 LEU 18 3HD2 LEU 18 10.643 -0.737 -2.250 136 HD22 LEU 18 1HD2 LEU 18 10.764 -0.851 -0.497 137 HD23 LEU 18 2HD2 LEU 18 10.165 0.629 -1.245 138 H PHE 19 H PHE 19 5.978 -0.189 2.026 139 HA PHE 19 HA PHE 19 5.623 2.592 2.481 140 HB2 PHE 19 2HB PHE 19 4.116 0.217 3.540 141 HB3 PHE 19 1HB PHE 19 3.588 1.889 3.718 142 HD1 PHE 19 2HD PHE 19 3.694 3.283 1.390 143 HD2 PHE 19 1HD PHE 19 3.248 -0.971 1.750 144 HE1 PHE 19 2HE PHE 19 2.698 3.189 -0.880 145 HE2 PHE 19 1HE PHE 19 2.259 -1.065 -0.500 146 HZ PHE 19 HZ PHE 19 1.979 1.012 -1.828 147 H ASP 20 H ASP 20 6.226 -0.095 4.761 148 HA ASP 20 HA ASP 20 6.265 1.514 7.083 149 HB2 ASP 20 2HB ASP 20 6.154 -1.043 6.905 150 HB3 ASP 20 1HB ASP 20 7.903 -0.990 6.695 151 H LYS 21 H LYS 21 7.491 3.386 6.261 152 HA LYS 21 HA LYS 21 10.210 3.247 5.486 153 HB2 LYS 21 2HB LYS 21 8.982 5.557 6.983 154 HB3 LYS 21 1HB LYS 21 10.299 5.610 5.821 155 HG2 LYS 21 2HG LYS 21 7.391 5.002 5.243 156 HG3 LYS 21 1HG LYS 21 8.279 6.430 4.756 157 HD2 LYS 21 2HD LYS 21 8.790 3.599 3.790 158 HD3 LYS 21 1HD LYS 21 8.060 4.902 2.866 159 HE2 LYS 21 2HE LYS 21 10.225 6.226 3.356 160 HE3 LYS 21 1HE LYS 21 10.918 4.665 3.796 161 HZ1 LYS 21 3HZ LYS 21 11.198 4.226 1.664 162 HZ2 LYS 21 1HZ LYS 21 10.519 5.721 1.239 163 HZ3 LYS 21 2HZ LYS 21 9.524 4.352 1.397 164 H ASP 22 H ASP 22 8.814 4.059 8.688 165 HA ASP 22 HA ASP 22 11.292 4.180 10.002 166 HB2 ASP 22 2HB ASP 22 10.007 4.099 12.050 167 HB3 ASP 22 1HB ASP 22 9.130 5.081 10.877 168 H GLY 23 H GLY 23 9.485 1.545 8.810 169 HA2 GLY 23 2HA GLY 23 9.830 -0.722 8.850 170 HA3 GLY 23 1HA GLY 23 11.467 -0.361 9.377 171 H ASP 24 H ASP 24 8.377 0.305 11.057 172 HA ASP 24 HA ASP 24 9.462 -1.076 13.417 173 HB2 ASP 24 2HB ASP 24 7.779 0.040 14.679 174 HB3 ASP 24 1HB ASP 24 8.447 1.228 13.566 175 H GLY 25 H GLY 25 7.674 -1.916 10.779 176 HA2 GLY 25 2HA GLY 25 6.834 -4.132 10.462 177 HA3 GLY 25 1HA GLY 25 6.475 -4.221 12.180 178 H THR 26 H THR 26 5.582 -1.239 10.920 179 HA THR 26 HA THR 26 2.864 -2.074 10.146 180 HB THR 26 HB THR 26 2.079 -0.106 11.689 181 HG1 THR 26 1HG THR 26 3.403 0.327 13.358 182 HG21 THR 26 3HG2 THR 26 1.840 -1.703 13.596 183 HG22 THR 26 1HG2 THR 26 2.955 -2.796 12.774 184 HG23 THR 26 2HG2 THR 26 1.394 -2.413 12.045 185 H ILE 27 H ILE 27 1.621 -0.229 9.264 186 HA ILE 27 HA ILE 27 3.405 1.762 7.960 187 HB ILE 27 HB ILE 27 0.887 0.468 6.927 188 HG12 ILE 27 2HG1 ILE 27 3.672 0.478 5.769 189 HG13 ILE 27 1HG1 ILE 27 3.060 -0.813 6.798 190 HG21 ILE 27 1HG2 ILE 27 0.736 2.705 6.182 191 HG22 ILE 27 2HG2 ILE 27 1.516 1.860 4.845 192 HG23 ILE 27 3HG2 ILE 27 2.482 2.831 5.959 193 HD11 ILE 27 3HD1 ILE 27 1.850 0.068 4.152 194 HD12 ILE 27 1HD1 ILE 27 1.184 -1.180 5.209 195 HD13 ILE 27 2HD1 ILE 27 2.752 -1.426 4.439 196 H THR 28 H THR 28 2.857 3.869 8.129 197 HA THR 28 HA THR 28 0.400 4.524 9.665 198 HB THR 28 HB THR 28 3.071 5.956 9.694 199 HG1 THR 28 1HG THR 28 3.507 4.782 11.381 200 HG21 THR 28 3HG2 THR 28 0.404 6.456 11.003 201 HG22 THR 28 1HG2 THR 28 1.472 7.600 10.189 202 HG23 THR 28 2HG2 THR 28 1.893 6.983 11.786 203 H THR 29 H THR 29 -0.267 6.831 9.367 204 HA THR 29 HA THR 29 -0.918 7.323 6.670 205 HB THR 29 HB THR 29 -1.826 9.448 7.487 206 HG1 THR 29 1HG THR 29 -0.514 10.278 8.930 207 HG21 THR 29 3HG2 THR 29 -3.103 8.465 9.536 208 HG22 THR 29 1HG2 THR 29 -2.225 6.983 9.177 209 HG23 THR 29 2HG2 THR 29 -3.302 7.681 7.972 210 H LYS 30 H LYS 30 1.474 8.793 8.813 211 HA LYS 30 HA LYS 30 2.431 10.699 6.942 212 HB2 LYS 30 2HB LYS 30 3.676 9.500 9.423 213 HB3 LYS 30 1HB LYS 30 4.403 10.818 8.499 214 HG2 LYS 30 2HG LYS 30 2.394 12.197 8.852 215 HG3 LYS 30 1HG LYS 30 1.635 10.880 9.748 216 HD2 LYS 30 2HD LYS 30 3.438 10.969 11.425 217 HD3 LYS 30 1HD LYS 30 4.212 12.278 10.531 218 HE2 LYS 30 2HE LYS 30 1.978 13.537 10.783 219 HE3 LYS 30 1HE LYS 30 1.570 12.323 11.996 220 HZ1 LYS 30 3HZ LYS 30 2.814 13.391 13.463 221 HZ2 LYS 30 1HZ LYS 30 3.153 14.593 12.314 222 HZ3 LYS 30 2HZ LYS 30 4.183 13.250 12.464 223 H GLU 31 H GLU 31 3.491 7.426 7.808 224 HA GLU 31 HA GLU 31 5.829 7.324 6.263 225 HB2 GLU 31 2HB GLU 31 3.856 5.205 7.124 226 HB3 GLU 31 1HB GLU 31 5.309 4.811 6.209 227 HG2 GLU 31 2HG GLU 31 6.709 5.833 7.941 228 HG3 GLU 31 1HG GLU 31 5.272 6.312 8.844 229 H LEU 32 H LEU 32 2.573 6.139 5.424 230 HA LEU 32 HA LEU 32 3.138 5.611 2.711 231 HB2 LEU 32 2HB LEU 32 1.216 4.630 3.646 232 HB3 LEU 32 1HB LEU 32 0.596 6.163 4.241 233 HG LEU 32 HG LEU 32 0.203 6.878 1.892 234 HD11 LEU 32 1HD1 LEU 32 1.906 5.671 0.721 235 HD12 LEU 32 2HD1 LEU 32 0.365 5.016 0.161 236 HD13 LEU 32 3HD1 LEU 32 1.321 4.127 1.347 237 HD21 LEU 32 3HD2 LEU 32 -0.969 4.220 2.732 238 HD22 LEU 32 1HD2 LEU 32 -1.591 5.171 1.384 239 HD23 LEU 32 2HD2 LEU 32 -1.645 5.822 3.024 240 H GLY 33 H GLY 33 1.734 8.462 4.290 241 HA2 GLY 33 2HA GLY 33 1.138 9.986 2.067 242 HA3 GLY 33 1HA GLY 33 1.681 10.666 3.599 243 H THR 34 H THR 34 4.254 9.629 3.720 244 HA THR 34 HA THR 34 5.705 11.464 2.166 245 HB THR 34 HB THR 34 6.789 8.899 3.341 246 HG1 THR 34 1HG THR 34 7.178 10.374 5.165 247 HG21 THR 34 3HG2 THR 34 8.348 10.143 1.909 248 HG22 THR 34 1HG2 THR 34 8.839 10.267 3.599 249 HG23 THR 34 2HG2 THR 34 8.022 11.619 2.816 250 H VAL 35 H VAL 35 5.208 7.938 1.733 251 HA VAL 35 HA VAL 35 6.734 7.648 -0.593 252 HB VAL 35 HB VAL 35 4.226 6.161 0.251 253 HG11 VAL 35 1HG1 VAL 35 5.418 4.297 -1.056 254 HG12 VAL 35 2HG1 VAL 35 6.418 5.576 -1.748 255 HG13 VAL 35 3HG1 VAL 35 4.675 5.580 -2.009 256 HG21 VAL 35 3HG2 VAL 35 5.679 4.654 1.415 257 HG22 VAL 35 1HG2 VAL 35 6.153 6.274 1.919 258 HG23 VAL 35 2HG2 VAL 35 7.121 5.402 0.728 259 H MET 36 H MET 36 3.424 8.677 -0.083 260 HA MET 36 HA MET 36 2.663 8.611 -2.845 261 HB2 MET 36 2HB MET 36 1.489 10.207 -0.555 262 HB3 MET 36 1HB MET 36 0.759 10.036 -2.148 263 HG2 MET 36 2HG MET 36 1.129 7.423 -1.598 264 HG3 MET 36 1HG MET 36 1.001 8.029 0.045 265 HE1 MET 36 3HE MET 36 -2.078 7.803 -3.259 266 HE2 MET 36 1HE MET 36 -1.102 6.452 -2.657 267 HE3 MET 36 2HE MET 36 -0.323 7.854 -3.391 268 H ARG 37 H ARG 37 4.011 11.117 -0.764 269 HA ARG 37 HA ARG 37 3.833 13.211 -2.711 270 HB2 ARG 37 2HB ARG 37 4.245 13.285 -0.092 271 HB3 ARG 37 1HB ARG 37 5.938 13.263 -0.575 272 HG2 ARG 37 2HG ARG 37 3.863 15.253 -1.554 273 HG3 ARG 37 1HG ARG 37 5.081 15.577 -0.325 274 HD2 ARG 37 2HD ARG 37 6.794 14.844 -2.129 275 HD3 ARG 37 1HD ARG 37 5.468 15.076 -3.267 276 HE ARG 37 HE ARG 37 5.648 17.371 -1.647 277 HH11 ARG 37 1HH2 ARG 37 7.420 15.640 -4.068 278 HH12 ARG 37 2HH2 ARG 37 8.206 17.051 -4.695 279 HH21 ARG 37 1HH1 ARG 37 6.661 19.209 -2.459 280 HH22 ARG 37 2HH1 ARG 37 7.777 19.078 -3.775 281 H SER 38 H SER 38 6.570 11.202 -1.613 282 HA SER 38 HA SER 38 8.534 12.202 -3.287 283 HB2 SER 38 2HB SER 38 9.277 10.662 -1.685 284 HB3 SER 38 1HB SER 38 8.060 9.469 -2.129 285 HG SER 38 HG SER 38 10.538 9.701 -3.030 286 H LEU 39 H LEU 39 5.788 10.242 -4.084 287 HA LEU 39 HA LEU 39 6.851 9.399 -6.654 288 HB2 LEU 39 2HB LEU 39 4.171 9.108 -5.302 289 HB3 LEU 39 1HB LEU 39 4.484 8.522 -6.933 290 HG LEU 39 HG LEU 39 6.230 7.754 -4.581 291 HD11 LEU 39 1HD1 LEU 39 4.912 5.682 -4.412 292 HD12 LEU 39 2HD1 LEU 39 3.806 6.275 -5.653 293 HD13 LEU 39 3HD1 LEU 39 3.907 7.092 -4.096 294 HD21 LEU 39 3HD2 LEU 39 7.357 7.167 -6.563 295 HD22 LEU 39 1HD2 LEU 39 5.863 6.769 -7.408 296 HD23 LEU 39 2HD2 LEU 39 6.492 5.686 -6.172 297 H GLY 40 H GLY 40 5.142 12.098 -5.371 298 HA2 GLY 40 2HA GLY 40 4.707 14.113 -6.467 299 HA3 GLY 40 1HA GLY 40 5.084 13.339 -7.998 300 H GLN 41 H GLN 41 2.809 11.762 -5.894 301 HA GLN 41 HA GLN 41 0.607 12.534 -7.726 302 HB2 GLN 41 2HB GLN 41 1.116 10.144 -7.756 303 HB3 GLN 41 1HB GLN 41 0.912 10.059 -6.007 304 HG2 GLN 41 2HG GLN 41 -1.426 10.647 -6.184 305 HG3 GLN 41 1HG GLN 41 -1.261 10.982 -7.907 306 HE21 GLN 41 1HE2 GLN 41 -3.146 9.063 -6.983 307 HE22 GLN 41 2HE2 GLN 41 -2.633 7.524 -7.483 308 H ASN 42 H ASN 42 -1.359 13.175 -6.914 309 HA ASN 42 HA ASN 42 -1.619 14.875 -4.876 310 HB2 ASN 42 2HB ASN 42 -4.054 14.009 -4.659 311 HB3 ASN 42 1HB ASN 42 -3.515 14.626 -6.219 312 HD21 ASN 42 1HD2 ASN 42 -3.716 11.510 -4.411 313 HD22 ASN 42 2HD2 ASN 42 -4.028 10.571 -5.789 314 HA PRO 43 HA PRO 43 -0.834 11.953 -1.445 315 HB2 PRO 43 2HB PRO 43 0.347 13.711 0.265 316 HB3 PRO 43 1HB PRO 43 1.212 12.977 -1.096 317 HG2 PRO 43 2HG PRO 43 0.113 15.720 -0.817 318 HG3 PRO 43 1HG PRO 43 1.548 15.160 -1.685 319 HD2 PRO 43 2HD PRO 43 -0.943 15.760 -2.867 320 HD3 PRO 43 1HD PRO 43 0.372 14.843 -3.638 321 H THR 44 H THR 44 -1.094 14.848 0.411 322 HA THR 44 HA THR 44 -2.687 15.672 1.840 323 HB THR 44 HB THR 44 -4.806 14.075 0.419 324 HG1 THR 44 1HG THR 44 -3.951 14.951 -1.314 325 HG21 THR 44 3HG2 THR 44 -4.727 16.873 1.581 326 HG22 THR 44 1HG2 THR 44 -5.406 15.459 2.385 327 HG23 THR 44 2HG2 THR 44 -6.147 16.073 0.908 328 H GLU 45 H GLU 45 -2.478 14.927 3.808 329 HA GLU 45 HA GLU 45 -2.529 12.150 4.487 330 HB2 GLU 45 2HB GLU 45 -2.756 13.306 6.908 331 HB3 GLU 45 1HB GLU 45 -1.232 13.276 6.024 332 HG2 GLU 45 2HG GLU 45 -1.567 15.498 5.194 333 HG3 GLU 45 1HG GLU 45 -3.231 15.531 5.765 334 H ALA 46 H ALA 46 -4.743 14.814 5.259 335 HA ALA 46 HA ALA 46 -6.725 13.625 6.666 336 HB1 ALA 46 1HB ALA 46 -6.980 15.521 4.331 337 HB2 ALA 46 2HB ALA 46 -7.044 15.893 6.053 338 HB3 ALA 46 3HB ALA 46 -8.376 15.026 5.291 339 H GLU 47 H GLU 47 -6.366 13.389 3.151 340 HA GLU 47 HA GLU 47 -8.542 11.698 2.635 341 HB2 GLU 47 2HB GLU 47 -6.751 12.966 1.086 342 HB3 GLU 47 1HB GLU 47 -6.010 11.371 1.070 343 HG2 GLU 47 2HG GLU 47 -8.885 11.973 0.311 344 HG3 GLU 47 1HG GLU 47 -7.571 11.665 -0.820 345 H LEU 48 H LEU 48 -5.108 10.868 3.065 346 HA LEU 48 HA LEU 48 -5.426 8.062 3.082 347 HB2 LEU 48 2HB LEU 48 -3.318 9.961 4.062 348 HB3 LEU 48 1HB LEU 48 -3.215 8.269 4.548 349 HG LEU 48 HG LEU 48 -3.079 7.528 2.268 350 HD11 LEU 48 1HD1 LEU 48 -4.628 8.837 1.063 351 HD12 LEU 48 2HD1 LEU 48 -3.078 9.386 0.438 352 HD13 LEU 48 3HD1 LEU 48 -3.936 10.350 1.636 353 HD21 LEU 48 3HD2 LEU 48 -1.419 10.040 2.659 354 HD22 LEU 48 1HD2 LEU 48 -1.071 8.778 1.481 355 HD23 LEU 48 2HD2 LEU 48 -0.990 8.420 3.205 356 H GLN 49 H GLN 49 -5.105 10.314 5.817 357 HA GLN 49 HA GLN 49 -5.406 8.639 7.952 358 HB2 GLN 49 2HB GLN 49 -6.585 11.395 7.536 359 HB3 GLN 49 1HB GLN 49 -6.538 10.568 9.091 360 HG2 GLN 49 2HG GLN 49 -4.100 10.464 9.006 361 HG3 GLN 49 1HG GLN 49 -4.094 11.178 7.398 362 HE21 GLN 49 1HE2 GLN 49 -3.779 11.938 10.671 363 HE22 GLN 49 2HE2 GLN 49 -4.117 13.599 10.577 364 H ASP 50 H ASP 50 -7.808 9.638 5.645 365 HA ASP 50 HA ASP 50 -10.046 8.606 7.178 366 HB2 ASP 50 2HB ASP 50 -10.148 10.552 5.556 367 HB3 ASP 50 1HB ASP 50 -10.019 9.365 4.258 368 H MET 51 H MET 51 -8.154 7.586 4.329 369 HA MET 51 HA MET 51 -9.696 5.255 3.786 370 HB2 MET 51 2HB MET 51 -6.857 6.015 3.079 371 HB3 MET 51 1HB MET 51 -7.649 4.555 2.487 372 HG2 MET 51 2HG MET 51 -8.762 7.348 2.114 373 HG3 MET 51 1HG MET 51 -7.796 6.506 0.903 374 HE1 MET 51 3HE MET 51 -11.175 7.319 2.142 375 HE2 MET 51 1HE MET 51 -12.080 6.577 0.814 376 HE3 MET 51 2HE MET 51 -10.742 7.668 0.470 377 H ILE 52 H ILE 52 -6.698 5.792 5.619 378 HA ILE 52 HA ILE 52 -6.292 3.063 6.287 379 HB ILE 52 HB ILE 52 -5.266 5.656 7.421 380 HG12 ILE 52 2HG1 ILE 52 -3.874 3.254 6.187 381 HG13 ILE 52 1HG1 ILE 52 -4.392 4.670 5.276 382 HG21 ILE 52 1HG2 ILE 52 -3.746 4.103 8.829 383 HG22 ILE 52 2HG2 ILE 52 -4.981 2.876 8.568 384 HG23 ILE 52 3HG2 ILE 52 -5.389 4.367 9.408 385 HD11 ILE 52 3HD1 ILE 52 -1.939 4.588 6.097 386 HD12 ILE 52 1HD1 ILE 52 -2.606 4.949 7.687 387 HD13 ILE 52 2HD1 ILE 52 -2.847 6.078 6.354 388 H ASN 53 H ASN 53 -7.914 5.742 7.938 389 HA ASN 53 HA ASN 53 -8.551 4.405 10.328 390 HB2 ASN 53 2HB ASN 53 -9.760 6.733 8.852 391 HB3 ASN 53 1HB ASN 53 -10.510 6.122 10.324 392 HD21 ASN 53 1HD2 ASN 53 -7.026 5.856 10.056 393 HD22 ASN 53 2HD2 ASN 53 -6.661 7.112 11.137 394 H GLU 54 H GLU 54 -10.275 4.573 7.232 395 HA GLU 54 HA GLU 54 -12.631 3.270 8.107 396 HB2 GLU 54 2HB GLU 54 -12.480 4.588 6.015 397 HB3 GLU 54 1HB GLU 54 -11.455 3.330 5.320 398 HG2 GLU 54 2HG GLU 54 -13.244 1.684 5.557 399 HG3 GLU 54 1HG GLU 54 -14.266 2.873 6.363 400 H VAL 55 H VAL 55 -9.617 2.014 6.688 401 HA VAL 55 HA VAL 55 -10.648 -0.740 6.911 402 HB VAL 55 HB VAL 55 -8.790 -1.392 5.523 403 HG11 VAL 55 1HG1 VAL 55 -10.718 -0.348 4.384 404 HG12 VAL 55 2HG1 VAL 55 -9.214 0.013 3.536 405 HG13 VAL 55 3HG1 VAL 55 -9.963 1.236 4.561 406 HG21 VAL 55 3HG2 VAL 55 -7.830 1.417 6.086 407 HG22 VAL 55 1HG2 VAL 55 -7.195 0.471 4.739 408 HG23 VAL 55 2HG2 VAL 55 -6.984 -0.097 6.397 409 H ASP 56 H ASP 56 -9.692 1.010 9.243 410 HA ASP 56 HA ASP 56 -7.316 -0.439 10.148 411 HB2 ASP 56 2HB ASP 56 -7.903 2.083 10.569 412 HB3 ASP 56 1HB ASP 56 -8.896 1.453 11.870 413 H ALA 57 H ALA 57 -7.587 -2.421 10.931 414 HA ALA 57 HA ALA 57 -10.044 -3.499 11.819 415 HB1 ALA 57 1HB ALA 57 -8.653 -5.414 12.580 416 HB2 ALA 57 2HB ALA 57 -7.210 -4.466 12.222 417 HB3 ALA 57 3HB ALA 57 -8.310 -4.924 10.922 418 H ASP 58 H ASP 58 -7.151 -2.545 13.724 419 HA ASP 58 HA ASP 58 -8.654 -2.934 16.209 420 HB2 ASP 58 2HB ASP 58 -5.772 -2.232 15.640 421 HB3 ASP 58 1HB ASP 58 -6.447 -2.363 17.262 422 H GLY 59 H GLY 59 -8.205 -0.438 14.023 423 HA2 GLY 59 2HA GLY 59 -8.835 1.799 14.148 424 HA3 GLY 59 1HA GLY 59 -9.305 1.523 15.821 425 H ASN 60 H ASN 60 -6.166 0.509 14.917 426 HA ASN 60 HA ASN 60 -4.910 2.307 16.769 427 HB2 ASN 60 2HB ASN 60 -3.928 0.159 14.894 428 HB3 ASN 60 1HB ASN 60 -2.804 1.164 15.805 429 HD21 ASN 60 1HD2 ASN 60 -2.861 -1.594 16.341 430 HD22 ASN 60 2HD2 ASN 60 -3.560 -1.855 17.865 431 H GLY 61 H GLY 61 -5.573 2.294 13.398 432 HA2 GLY 61 2HA GLY 61 -5.390 4.124 11.951 433 HA3 GLY 61 1HA GLY 61 -4.301 4.901 13.094 434 H THR 62 H THR 62 -3.671 1.602 12.338 435 HA THR 62 HA THR 62 -1.585 2.352 10.371 436 HB THR 62 HB THR 62 -0.012 0.847 11.475 437 HG1 THR 62 1HG THR 62 -0.631 -0.002 13.528 438 HG21 THR 62 3HG2 THR 62 -0.021 3.192 12.170 439 HG22 THR 62 1HG2 THR 62 0.330 2.159 13.555 440 HG23 THR 62 2HG2 THR 62 -1.281 2.853 13.356 441 H ILE 63 H ILE 63 -0.956 0.673 8.931 442 HA ILE 63 HA ILE 63 -2.996 -1.463 8.644 443 HB ILE 63 HB ILE 63 -1.117 -0.497 6.497 444 HG12 ILE 63 2HG1 ILE 63 -2.380 1.446 7.206 445 HG13 ILE 63 1HG1 ILE 63 -3.068 0.863 5.693 446 HG21 ILE 63 1HG2 ILE 63 -3.787 -1.921 6.409 447 HG22 ILE 63 2HG2 ILE 63 -2.216 -2.684 6.168 448 HG23 ILE 63 3HG2 ILE 63 -2.800 -1.486 5.014 449 HD11 ILE 63 3HD1 ILE 63 -4.192 0.696 8.467 450 HD12 ILE 63 1HD1 ILE 63 -4.653 -0.524 7.286 451 HD13 ILE 63 2HD1 ILE 63 -4.988 1.173 6.973 452 H ASP 64 H ASP 64 -2.328 -3.410 9.272 453 HA ASP 64 HA ASP 64 0.505 -3.992 9.533 454 HB2 ASP 64 2HB ASP 64 -2.020 -5.462 10.277 455 HB3 ASP 64 1HB ASP 64 -0.414 -6.187 10.455 456 H PHE 65 H PHE 65 0.909 -6.500 8.997 457 HA PHE 65 HA PHE 65 1.299 -6.628 6.232 458 HB2 PHE 65 2HB PHE 65 1.234 -9.220 7.701 459 HB3 PHE 65 1HB PHE 65 2.481 -8.546 6.675 460 HD1 PHE 65 2HD PHE 65 3.678 -6.403 7.586 461 HD2 PHE 65 1HD PHE 65 1.582 -9.240 10.037 462 HE1 PHE 65 2HE PHE 65 4.961 -5.640 9.560 463 HE2 PHE 65 1HE PHE 65 2.871 -8.473 12.019 464 HZ PHE 65 HZ PHE 65 4.557 -6.671 11.778 465 HA PRO 66 HA PRO 66 -2.346 -9.848 6.089 466 HB2 PRO 66 2HB PRO 66 -4.182 -8.968 8.218 467 HB3 PRO 66 1HB PRO 66 -3.502 -10.579 7.924 468 HG2 PRO 66 2HG PRO 66 -2.779 -8.999 10.007 469 HG3 PRO 66 1HG PRO 66 -1.695 -10.201 9.280 470 HD2 PRO 66 2HD PRO 66 -1.749 -7.236 8.939 471 HD3 PRO 66 1HD PRO 66 -0.358 -8.325 9.032 472 H GLU 67 H GLU 67 -3.595 -6.829 7.508 473 HA GLU 67 HA GLU 67 -5.841 -6.492 5.935 474 HB2 GLU 67 2HB GLU 67 -3.997 -4.366 7.058 475 HB3 GLU 67 1HB GLU 67 -5.619 -4.063 6.439 476 HG2 GLU 67 2HG GLU 67 -5.002 -5.999 8.687 477 HG3 GLU 67 1HG GLU 67 -5.535 -4.336 8.930 478 H PHE 68 H PHE 68 -2.530 -5.408 5.350 479 HA PHE 68 HA PHE 68 -3.053 -4.099 2.891 480 HB2 PHE 68 2HB PHE 68 -0.970 -3.782 4.189 481 HB3 PHE 68 1HB PHE 68 -0.484 -5.422 3.753 482 HD1 PHE 68 2HD PHE 68 -0.192 -6.024 1.314 483 HD2 PHE 68 1HD PHE 68 -0.743 -1.977 2.640 484 HE1 PHE 68 2HE PHE 68 0.689 -5.193 -0.851 485 HE2 PHE 68 1HE PHE 68 0.137 -1.147 0.475 486 HZ PHE 68 HZ PHE 68 0.857 -2.759 -1.269 487 H LEU 69 H LEU 69 -1.902 -7.371 3.623 488 HA LEU 69 HA LEU 69 -1.630 -8.307 0.995 489 HB2 LEU 69 2HB LEU 69 -0.793 -9.594 2.790 490 HB3 LEU 69 1HB LEU 69 -2.367 -9.706 3.566 491 HG LEU 69 HG LEU 69 -1.562 -11.779 2.364 492 HD11 LEU 69 1HD1 LEU 69 -4.014 -11.244 0.854 493 HD12 LEU 69 2HD1 LEU 69 -4.140 -10.798 2.559 494 HD13 LEU 69 3HD1 LEU 69 -3.687 -12.436 2.112 495 HD21 LEU 69 3HD2 LEU 69 -0.579 -10.366 0.501 496 HD22 LEU 69 1HD2 LEU 69 -2.188 -10.293 -0.185 497 HD23 LEU 69 2HD2 LEU 69 -1.394 -11.839 0.013 498 H THR 70 H THR 70 -4.544 -7.977 3.012 499 HA THR 70 HA THR 70 -6.184 -9.381 1.102 500 HB THR 70 HB THR 70 -6.894 -7.650 3.463 501 HG1 THR 70 1HG THR 70 -6.072 -10.245 3.080 502 HG21 THR 70 3HG2 THR 70 -9.059 -8.938 3.291 503 HG22 THR 70 1HG2 THR 70 -8.525 -9.489 1.703 504 HG23 THR 70 2HG2 THR 70 -8.792 -7.771 1.999 505 H MET 71 H MET 71 -6.546 -6.037 2.289 506 HA MET 71 HA MET 71 -8.233 -5.153 0.293 507 HB2 MET 71 2HB MET 71 -7.792 -2.946 1.008 508 HB3 MET 71 1HB MET 71 -7.554 -3.948 2.435 509 HG2 MET 71 2HG MET 71 -5.107 -3.943 1.993 510 HG3 MET 71 1HG MET 71 -5.359 -2.876 0.618 511 HE1 MET 71 3HE MET 71 -6.234 -3.455 4.284 512 HE2 MET 71 1HE MET 71 -5.721 -1.964 5.082 513 HE3 MET 71 2HE MET 71 -4.529 -3.020 4.331 514 H MET 72 H MET 72 -4.880 -5.884 -0.026 515 HA MET 72 HA MET 72 -4.581 -4.242 -2.437 516 HB2 MET 72 2HB MET 72 -2.300 -4.693 -2.366 517 HB3 MET 72 1HB MET 72 -2.733 -4.630 -0.668 518 HG2 MET 72 2HG MET 72 -1.511 -6.602 -0.740 519 HG3 MET 72 1HG MET 72 -3.130 -7.220 -0.995 520 HE1 MET 72 3HE MET 72 0.344 -7.801 -2.226 521 HE2 MET 72 1HE MET 72 -0.350 -9.123 -3.173 522 HE3 MET 72 2HE MET 72 -0.877 -8.855 -1.514 523 H ALA 73 H ALA 73 -5.220 -7.524 -1.494 524 HA ALA 73 HA ALA 73 -4.492 -8.919 -3.816 525 HB1 ALA 73 1HB ALA 73 -5.097 -10.126 -1.826 526 HB2 ALA 73 2HB ALA 73 -6.247 -10.563 -3.090 527 HB3 ALA 73 3HB ALA 73 -6.715 -9.420 -1.832 528 H ARG 74 H ARG 74 -7.432 -7.126 -3.066 529 HA ARG 74 HA ARG 74 -9.082 -7.988 -5.131 530 HB2 ARG 74 2HB ARG 74 -8.964 -5.095 -4.301 531 HB3 ARG 74 1HB ARG 74 -10.375 -6.064 -4.729 532 HG2 ARG 74 2HG ARG 74 -8.684 -6.329 -2.221 533 HG3 ARG 74 1HG ARG 74 -10.343 -5.759 -2.316 534 HD2 ARG 74 2HD ARG 74 -9.332 -8.553 -2.880 535 HD3 ARG 74 1HD ARG 74 -10.439 -8.048 -1.604 536 HE ARG 74 HE ARG 74 -11.109 -8.509 -4.392 537 HH11 ARG 74 1HH2 ARG 74 -11.937 -6.977 -1.404 538 HH12 ARG 74 2HH2 ARG 74 -13.620 -6.826 -1.787 539 HH21 ARG 74 1HH1 ARG 74 -13.305 -8.318 -4.906 540 HH22 ARG 74 2HH1 ARG 74 -14.397 -7.588 -3.777 541 H LYS 75 H LYS 75 -7.135 -4.989 -5.203 542 HA LYS 75 HA LYS 75 -6.438 -3.734 -7.023 543 HB2 LYS 75 2HB LYS 75 -4.773 -5.694 -6.636 544 HB3 LYS 75 1HB LYS 75 -5.455 -6.360 -8.118 545 HG2 LYS 75 2HG LYS 75 -4.831 -4.370 -9.369 546 HG3 LYS 75 1HG LYS 75 -4.302 -3.562 -7.894 547 HD2 LYS 75 2HD LYS 75 -2.324 -4.397 -8.994 548 HD3 LYS 75 1HD LYS 75 -2.612 -5.408 -7.579 549 HE2 LYS 75 2HE LYS 75 -3.446 -7.203 -8.883 550 HE3 LYS 75 1HE LYS 75 -3.690 -6.175 -10.297 551 HZ1 LYS 75 3HZ LYS 75 -1.054 -5.879 -9.790 552 HZ2 LYS 75 1HZ LYS 75 -1.706 -6.951 -10.932 553 HZ3 LYS 75 2HZ LYS 75 -1.306 -7.509 -9.377 554 H MET 76 H MET 76 -9.138 -4.565 -7.312 555 HA MET 76 HA MET 76 -9.988 -5.778 -9.606 556 HB2 MET 76 2HB MET 76 -11.482 -4.758 -7.941 557 HB3 MET 76 1HB MET 76 -11.002 -3.153 -8.481 558 HG2 MET 76 2HG MET 76 -11.941 -3.587 -10.706 559 HG3 MET 76 1HG MET 76 -12.356 -5.236 -10.230 560 HE1 MET 76 3HE MET 76 -14.907 -4.856 -10.907 561 HE2 MET 76 1HE MET 76 -14.369 -3.270 -11.478 562 HE3 MET 76 2HE MET 76 -15.801 -3.405 -10.462 563 H LYS 77 H LYS 77 -10.317 -2.331 -9.870 564 HA LYS 77 HA LYS 77 -9.249 -2.385 -12.583 565 HB2 LYS 77 2HB LYS 77 -11.395 -1.247 -12.090 566 HB3 LYS 77 1HB LYS 77 -10.547 -0.137 -11.017 567 HG2 LYS 77 2HG LYS 77 -9.189 0.675 -12.893 568 HG3 LYS 77 1HG LYS 77 -9.983 -0.466 -13.980 569 HD2 LYS 77 2HD LYS 77 -12.158 0.607 -13.517 570 HD3 LYS 77 1HD LYS 77 -11.362 1.763 -12.448 571 HE2 LYS 77 2HE LYS 77 -9.879 2.346 -14.470 572 HE3 LYS 77 1HE LYS 77 -11.060 1.467 -15.440 573 HZ1 LYS 77 3HZ LYS 77 -12.120 3.421 -15.504 574 HZ2 LYS 77 1HZ LYS 77 -11.275 4.050 -14.176 575 HZ3 LYS 77 2HZ LYS 77 -12.624 3.050 -13.925 576 H1 GLY 45 1HT GLY 45 -16.098 4.859 -8.383 577 H2 GLY 45 2HT GLY 45 -15.556 3.331 -8.893 578 H3 GLY 45 3HT GLY 45 -15.817 4.569 -10.030 579 HA2 GLY 45 2HA GLY 45 -13.460 3.953 -8.665 580 HA3 GLY 45 1HA GLY 45 -13.738 5.259 -9.818 581 H THR 46 H THR 46 -14.197 4.388 -6.394 582 HA THR 46 HA THR 46 -14.770 6.996 -5.461 583 HB THR 46 HB THR 46 -13.486 4.670 -4.000 584 HG1 THR 46 1HG THR 46 -15.579 4.286 -4.870 585 HG21 THR 46 3HG2 THR 46 -14.396 5.849 -1.978 586 HG22 THR 46 1HG2 THR 46 -14.781 7.227 -3.011 587 HG23 THR 46 2HG2 THR 46 -13.103 6.734 -2.785 588 H GLY 47 H GLY 47 -11.723 5.191 -5.730 589 HA2 GLY 47 2HA GLY 47 -9.776 6.576 -6.517 590 HA3 GLY 47 1HA GLY 47 -10.217 7.706 -5.239 591 H ALA 48 H ALA 48 -10.983 5.335 -3.535 592 HA ALA 48 HA ALA 48 -8.669 5.152 -1.985 593 HB1 ALA 48 1HB ALA 48 -10.963 3.189 -2.116 594 HB2 ALA 48 2HB ALA 48 -10.978 4.697 -1.206 595 HB3 ALA 48 3HB ALA 48 -9.852 3.414 -0.764 596 H ALA 49 H ALA 49 -10.058 2.628 -4.113 597 HA ALA 49 HA ALA 49 -7.932 0.800 -3.768 598 HB1 ALA 49 1HB ALA 49 -10.004 -0.040 -4.611 599 HB2 ALA 49 2HB ALA 49 -8.832 -0.205 -5.919 600 HB3 ALA 49 3HB ALA 49 -10.002 1.113 -5.947 601 H LEU 50 H LEU 50 -8.525 3.333 -6.144 602 HA LEU 50 HA LEU 50 -6.365 2.718 -7.874 603 HB2 LEU 50 2HB LEU 50 -8.419 4.405 -8.070 604 HB3 LEU 50 1HB LEU 50 -7.233 5.555 -7.475 605 HG LEU 50 HG LEU 50 -7.159 5.610 -9.880 606 HD11 LEU 50 1HD1 LEU 50 -4.784 3.909 -9.161 607 HD12 LEU 50 2HD1 LEU 50 -4.982 5.537 -8.502 608 HD13 LEU 50 3HD1 LEU 50 -4.862 5.299 -10.242 609 HD21 LEU 50 3HD2 LEU 50 -6.327 2.759 -10.201 610 HD22 LEU 50 1HD2 LEU 50 -7.262 3.791 -11.281 611 HD23 LEU 50 2HD2 LEU 50 -8.036 3.051 -9.886 612 H SER 51 H SER 51 -6.644 4.788 -5.015 613 HA SER 51 HA SER 51 -4.117 5.991 -5.121 614 HB2 SER 51 2HB SER 51 -5.920 6.677 -3.583 615 HB3 SER 51 1HB SER 51 -5.728 5.169 -2.693 616 HG SER 51 HG SER 51 -3.403 6.603 -3.113 617 H TRP 52 H TRP 52 -5.187 2.996 -3.559 618 HA TRP 52 HA TRP 52 -2.629 2.295 -2.530 619 HB2 TRP 52 2HB TRP 52 -5.240 0.872 -2.936 620 HB3 TRP 52 1HB TRP 52 -3.808 -0.075 -2.545 621 HD1 TRP 52 HD TRP 52 -6.562 1.543 -0.884 622 HE1 TRP 52 1HE TRP 52 -6.022 2.059 1.587 623 HE3 TRP 52 3HE TRP 52 -1.484 0.994 -0.955 624 HZ2 TRP 52 2HZ TRP 52 -3.737 2.209 3.308 625 HZ3 TRP 52 3HZ TRP 52 -0.150 1.328 1.104 626 HH2 TRP 52 HH TRP 52 -1.258 1.938 3.234 627 H GLN 53 H GLN 53 -4.406 1.304 -5.451 628 HA GLN 53 HA GLN 53 -2.468 -0.519 -6.401 629 HB2 GLN 53 2HB GLN 53 -4.786 -0.474 -7.219 630 HB3 GLN 53 1HB GLN 53 -4.494 1.098 -7.964 631 HG2 GLN 53 2HG GLN 53 -2.827 0.158 -9.449 632 HG3 GLN 53 1HG GLN 53 -2.902 -1.395 -8.621 633 HE21 GLN 53 1HE2 GLN 53 -3.443 -1.087 -11.448 634 HE22 GLN 53 2HE2 GLN 53 -5.076 -1.475 -11.700 635 H ALA 54 H ALA 54 -3.001 2.924 -7.175 636 HA ALA 54 HA ALA 54 -0.955 3.152 -9.096 637 HB1 ALA 54 1HB ALA 54 -2.160 5.214 -7.241 638 HB2 ALA 54 2HB ALA 54 -2.635 4.871 -8.907 639 HB3 ALA 54 3HB ALA 54 -1.065 5.599 -8.569 640 H ALA 55 H ALA 55 -0.904 3.561 -5.573 641 HA ALA 55 HA ALA 55 1.738 4.559 -5.388 642 HB1 ALA 55 1HB ALA 55 1.542 4.223 -3.072 643 HB2 ALA 55 2HB ALA 55 0.452 2.851 -3.268 644 HB3 ALA 55 3HB ALA 55 -0.122 4.487 -3.594 645 H ILE 56 H ILE 56 0.435 1.261 -5.215 646 HA ILE 56 HA ILE 56 2.895 -0.042 -4.679 647 HB ILE 56 HB ILE 56 0.331 -1.019 -5.953 648 HG12 ILE 56 2HG1 ILE 56 1.458 -1.542 -3.193 649 HG13 ILE 56 1HG1 ILE 56 0.358 -0.206 -3.535 650 HG21 ILE 56 1HG2 ILE 56 2.045 -2.535 -6.675 651 HG22 ILE 56 2HG2 ILE 56 1.257 -3.298 -5.295 652 HG23 ILE 56 3HG2 ILE 56 2.823 -2.510 -5.092 653 HD11 ILE 56 3HD1 ILE 56 -0.879 -2.182 -2.721 654 HD12 ILE 56 1HD1 ILE 56 -0.225 -3.137 -4.052 655 HD13 ILE 56 2HD1 ILE 56 -1.323 -1.796 -4.383 656 H ASP 57 H ASP 57 1.154 0.633 -7.696 657 HA ASP 57 HA ASP 57 2.916 -0.712 -9.440 658 HB2 ASP 57 2HB ASP 57 0.664 0.013 -10.097 659 HB3 ASP 57 1HB ASP 57 1.160 1.697 -9.962 660 H ALA 58 H ALA 58 2.753 2.728 -8.519 661 HA ALA 58 HA ALA 58 5.058 3.481 -10.011 662 HB1 ALA 58 1HB ALA 58 4.125 4.981 -7.579 663 HB2 ALA 58 2HB ALA 58 3.129 4.946 -9.033 664 HB3 ALA 58 3HB ALA 58 4.761 5.608 -9.100 665 H ALA 59 H ALA 59 4.534 2.434 -6.682 666 HA ALA 59 HA ALA 59 7.058 3.043 -5.612 667 HB1 ALA 59 1HB ALA 59 5.076 0.849 -4.986 668 HB2 ALA 59 2HB ALA 59 5.318 2.366 -4.119 669 HB3 ALA 59 3HB ALA 59 6.547 1.104 -4.048 670 H ARG 60 H ARG 60 5.876 0.096 -7.192 671 HA ARG 60 HA ARG 60 8.317 -1.334 -7.050 672 HB2 ARG 60 2HB ARG 60 6.127 -2.407 -7.460 673 HB3 ARG 60 1HB ARG 60 6.063 -1.633 -9.044 674 HG2 ARG 60 2HG ARG 60 8.053 -2.809 -9.771 675 HG3 ARG 60 1HG ARG 60 8.299 -3.468 -8.151 676 HD2 ARG 60 2HD ARG 60 6.211 -4.706 -8.290 677 HD3 ARG 60 1HD ARG 60 5.857 -3.996 -9.864 678 HE ARG 60 HE ARG 60 7.431 -5.440 -10.833 679 HH11 ARG 60 1HH2 ARG 60 7.572 -5.527 -7.378 680 HH12 ARG 60 2HH2 ARG 60 8.539 -6.962 -7.315 681 HH21 ARG 60 1HH1 ARG 60 8.692 -7.316 -10.761 682 HH22 ARG 60 2HH1 ARG 60 9.167 -7.981 -9.234 683 H GLN 61 H GLN 61 6.919 0.809 -9.503 684 HA GLN 61 HA GLN 61 8.722 0.388 -11.586 685 HB2 GLN 61 2HB GLN 61 6.756 1.799 -11.859 686 HB3 GLN 61 1HB GLN 61 7.388 2.959 -10.692 687 HG2 GLN 61 2HG GLN 61 9.024 2.252 -13.123 688 HG3 GLN 61 1HG GLN 61 7.707 3.412 -13.264 689 HE21 GLN 61 1HE2 GLN 61 11.002 3.181 -12.574 690 HE22 GLN 61 2HE2 GLN 61 11.187 4.657 -11.758 691 H ALA 62 H ALA 62 8.975 2.541 -8.775 692 HA ALA 62 HA ALA 62 11.506 3.635 -9.476 693 HB1 ALA 62 1HB ALA 62 10.168 3.351 -6.772 694 HB2 ALA 62 2HB ALA 62 10.049 4.739 -7.854 695 HB3 ALA 62 3HB ALA 62 11.592 4.339 -7.100 696 H LYS 63 H LYS 63 10.481 0.835 -7.586 697 HA LYS 63 HA LYS 63 13.004 0.151 -6.528 698 HB2 LYS 63 2HB LYS 63 10.954 -0.846 -5.665 699 HB3 LYS 63 1HB LYS 63 10.634 -1.601 -7.224 700 HG2 LYS 63 2HG LYS 63 11.591 -3.225 -5.640 701 HG3 LYS 63 1HG LYS 63 12.681 -2.969 -6.997 702 HD2 LYS 63 2HD LYS 63 14.147 -1.618 -5.701 703 HD3 LYS 63 1HD LYS 63 12.943 -1.393 -4.432 704 HE2 LYS 63 2HE LYS 63 13.102 -3.771 -3.840 705 HE3 LYS 63 1HE LYS 63 14.263 -4.031 -5.146 706 HZ1 LYS 63 3HZ LYS 63 14.663 -2.885 -2.537 707 HZ2 LYS 63 1HZ LYS 63 15.315 -1.941 -3.787 708 HZ3 LYS 63 2HZ LYS 63 15.793 -3.562 -3.611 709 H LEU 64 H LEU 64 11.345 -0.909 -9.489 710 HA LEU 64 HA LEU 64 13.362 -2.677 -10.362 711 HB2 LEU 64 2HB LEU 64 11.104 -2.739 -11.282 712 HB3 LEU 64 1HB LEU 64 11.310 -1.126 -11.957 713 HG LEU 64 HG LEU 64 13.097 -1.931 -13.427 714 HD11 LEU 64 1HD1 LEU 64 14.218 -3.643 -12.290 715 HD12 LEU 64 2HD1 LEU 64 13.311 -4.545 -13.500 716 HD13 LEU 64 3HD1 LEU 64 12.720 -4.461 -11.841 717 HD21 LEU 64 3HD2 LEU 64 11.717 -3.552 -14.791 718 HD22 LEU 64 1HD2 LEU 64 10.858 -2.085 -14.321 719 HD23 LEU 64 2HD2 LEU 64 10.561 -3.595 -13.459 720 H MET 65 H MET 65 12.754 0.731 -11.164 721 HA MET 65 HA MET 65 14.966 0.978 -12.937 722 HB2 MET 65 2HB MET 65 13.183 2.941 -11.507 723 HB3 MET 65 1HB MET 65 14.576 3.496 -12.437 724 HG2 MET 65 2HG MET 65 12.471 1.644 -13.579 725 HG3 MET 65 1HG MET 65 12.385 3.398 -13.728 726 HE1 MET 65 3HE MET 65 13.550 4.718 -15.629 727 HE2 MET 65 1HE MET 65 12.327 3.537 -16.120 728 HE3 MET 65 2HE MET 65 13.813 3.716 -17.053 729 H GLY 66 H GLY 66 14.560 1.525 -9.474 730 HA2 GLY 66 2HA GLY 66 16.348 1.254 -7.919 731 HA3 GLY 66 1HA GLY 66 17.493 1.659 -9.192 732 H SER 67 H SER 67 14.877 3.763 -9.323 733 HA SER 67 HA SER 67 14.611 5.988 -8.782 734 HB2 SER 67 2HB SER 67 16.301 5.465 -6.341 735 HB3 SER 67 1HB SER 67 14.996 6.630 -6.540 736 HG SER 67 HG SER 67 14.916 3.913 -6.015 737 H ALA 68 H ALA 68 15.837 6.752 -10.511 738 HA ALA 68 HA ALA 68 18.625 6.957 -10.638 739 HB1 ALA 68 1HB ALA 68 17.109 7.326 -12.557 740 HB2 ALA 68 2HB ALA 68 18.246 8.657 -12.347 741 HB3 ALA 68 3HB ALA 68 16.572 8.837 -11.823 Start of MODEL 7 1 H1 ALA 1 1HT ALA 1 -8.597 -12.857 -11.347 2 H2 ALA 1 2HT ALA 1 -8.289 -13.819 -9.981 3 H3 ALA 1 3HT ALA 1 -9.873 -13.310 -10.323 4 HA ALA 1 HA ALA 1 -10.120 -15.309 -11.269 5 HB1 ALA 1 2HB ALA 1 -9.062 -15.356 -13.639 6 HB2 ALA 1 3HB ALA 1 -8.459 -13.743 -13.248 7 HB3 ALA 1 1HB ALA 1 -10.195 -14.053 -13.278 8 H ASP 2 H ASP 2 -6.742 -14.323 -11.579 9 HA ASP 2 HA ASP 2 -5.667 -16.940 -11.799 10 HB2 ASP 2 2HB ASP 2 -4.517 -14.925 -12.584 11 HB3 ASP 2 1HB ASP 2 -4.365 -14.358 -10.923 12 H GLN 3 H GLN 3 -5.084 -18.388 -10.302 13 HA GLN 3 HA GLN 3 -5.933 -18.104 -7.590 14 HB2 GLN 3 2HB GLN 3 -4.985 -20.331 -7.280 15 HB3 GLN 3 1HB GLN 3 -5.884 -20.274 -8.796 16 HG2 GLN 3 2HG GLN 3 -3.730 -19.824 -9.992 17 HG3 GLN 3 1HG GLN 3 -2.877 -20.062 -8.468 18 HE21 GLN 3 1HE2 GLN 3 -2.010 -22.129 -8.369 19 HE22 GLN 3 2HE2 GLN 3 -2.749 -23.530 -8.978 20 H LEU 4 H LEU 4 -4.515 -18.370 -5.698 21 HA LEU 4 HA LEU 4 -2.470 -16.430 -5.654 22 HB2 LEU 4 2HB LEU 4 -3.960 -17.601 -3.738 23 HB3 LEU 4 1HB LEU 4 -2.488 -18.547 -3.545 24 HG LEU 4 HG LEU 4 -1.312 -16.164 -3.599 25 HD11 LEU 4 1HD1 LEU 4 -4.001 -15.406 -2.450 26 HD12 LEU 4 2HD1 LEU 4 -3.563 -15.070 -4.124 27 HD13 LEU 4 3HD1 LEU 4 -2.633 -14.352 -2.811 28 HD21 LEU 4 3HD2 LEU 4 -1.325 -17.732 -1.677 29 HD22 LEU 4 1HD2 LEU 4 -2.901 -17.106 -1.190 30 HD23 LEU 4 2HD2 LEU 4 -1.484 -16.055 -1.154 31 H THR 5 H THR 5 -0.224 -17.068 -4.601 32 HA THR 5 HA THR 5 1.012 -19.506 -5.222 33 HB THR 5 HB THR 5 0.679 -18.955 -7.555 34 HG1 THR 5 1HG THR 5 2.626 -19.569 -7.899 35 HG21 THR 5 3HG2 THR 5 1.746 -16.819 -8.433 36 HG22 THR 5 1HG2 THR 5 1.862 -16.289 -6.756 37 HG23 THR 5 2HG2 THR 5 0.281 -16.600 -7.475 38 H GLU 6 H GLU 6 3.556 -19.070 -5.460 39 HA GLU 6 HA GLU 6 4.406 -17.834 -3.101 40 HB2 GLU 6 2HB GLU 6 5.676 -19.555 -4.434 41 HB3 GLU 6 1HB GLU 6 6.058 -18.294 -5.600 42 HG2 GLU 6 2HG GLU 6 7.192 -16.993 -3.856 43 HG3 GLU 6 1HG GLU 6 6.785 -18.219 -2.659 44 H GLU 7 H GLU 7 4.574 -16.648 -6.437 45 HA GLU 7 HA GLU 7 5.809 -14.235 -6.093 46 HB2 GLU 7 2HB GLU 7 5.214 -14.777 -8.302 47 HB3 GLU 7 1HB GLU 7 3.540 -15.103 -7.866 48 HG2 GLU 7 2HG GLU 7 3.058 -12.788 -7.597 49 HG3 GLU 7 1HG GLU 7 4.760 -12.347 -7.693 50 H GLN 8 H GLN 8 2.250 -14.627 -5.970 51 HA GLN 8 HA GLN 8 1.471 -12.166 -5.219 52 HB2 GLN 8 2HB GLN 8 0.477 -14.866 -4.393 53 HB3 GLN 8 1HB GLN 8 -0.370 -13.404 -3.900 54 HG2 GLN 8 2HG GLN 8 0.297 -14.077 -6.777 55 HG3 GLN 8 1HG GLN 8 -1.237 -14.478 -6.014 56 HE21 GLN 8 1HE2 GLN 8 -0.200 -12.345 -8.149 57 HE22 GLN 8 2HE2 GLN 8 -1.025 -10.943 -7.663 58 H ILE 9 H ILE 9 2.206 -14.717 -2.750 59 HA ILE 9 HA ILE 9 1.914 -12.988 -0.583 60 HB ILE 9 HB ILE 9 3.409 -14.678 0.615 61 HG12 ILE 9 2HG1 ILE 9 3.265 -15.987 -2.121 62 HG13 ILE 9 1HG1 ILE 9 4.723 -15.395 -1.334 63 HG21 ILE 9 1HG2 ILE 9 1.682 -16.378 0.590 64 HG22 ILE 9 2HG2 ILE 9 1.109 -15.834 -0.987 65 HG23 ILE 9 3HG2 ILE 9 0.894 -14.808 0.431 66 HD11 ILE 9 3HD1 ILE 9 3.067 -17.793 -0.691 67 HD12 ILE 9 1HD1 ILE 9 3.959 -16.986 0.594 68 HD13 ILE 9 2HD1 ILE 9 4.822 -17.629 -0.796 69 H ALA 10 H ALA 10 4.910 -13.902 -2.301 70 HA ALA 10 HA ALA 10 6.653 -12.327 -0.793 71 HB1 ALA 10 1HB ALA 10 7.232 -14.086 -2.534 72 HB2 ALA 10 2HB ALA 10 8.207 -12.615 -2.583 73 HB3 ALA 10 3HB ALA 10 6.907 -12.852 -3.749 74 H GLU 11 H GLU 11 4.504 -11.579 -3.438 75 HA GLU 11 HA GLU 11 5.496 -9.014 -4.102 76 HB2 GLU 11 2HB GLU 11 3.799 -10.562 -5.353 77 HB3 GLU 11 1HB GLU 11 2.588 -9.761 -4.361 78 HG2 GLU 11 2HG GLU 11 2.685 -8.470 -6.338 79 HG3 GLU 11 1HG GLU 11 3.646 -7.559 -5.174 80 H PHE 12 H PHE 12 2.985 -10.076 -1.801 81 HA PHE 12 HA PHE 12 2.161 -7.466 -1.090 82 HB2 PHE 12 2HB PHE 12 0.552 -8.659 -0.032 83 HB3 PHE 12 1HB PHE 12 1.390 -10.131 -0.502 84 HD1 PHE 12 2HD PHE 12 1.433 -7.448 2.102 85 HD2 PHE 12 1HD PHE 12 2.262 -11.540 1.160 86 HE1 PHE 12 2HE PHE 12 1.973 -7.888 4.473 87 HE2 PHE 12 1HE PHE 12 2.824 -11.984 3.513 88 HZ PHE 12 HZ PHE 12 2.671 -10.174 5.180 89 H LYS 13 H LYS 13 4.583 -9.677 0.234 90 HA LYS 13 HA LYS 13 5.235 -8.188 2.527 91 HB2 LYS 13 2HB LYS 13 5.900 -10.521 2.203 92 HB3 LYS 13 1HB LYS 13 6.961 -10.044 0.876 93 HG2 LYS 13 2HG LYS 13 7.399 -8.543 3.417 94 HG3 LYS 13 1HG LYS 13 7.783 -10.259 3.504 95 HD2 LYS 13 2HD LYS 13 8.796 -8.612 1.193 96 HD3 LYS 13 1HD LYS 13 9.632 -8.577 2.741 97 HE2 LYS 13 2HE LYS 13 9.821 -11.055 2.675 98 HE3 LYS 13 1HE LYS 13 9.056 -11.048 1.083 99 HZ1 LYS 13 3HZ LYS 13 11.486 -9.477 1.699 100 HZ2 LYS 13 1HZ LYS 13 10.839 -9.844 0.175 101 HZ3 LYS 13 2HZ LYS 13 11.556 -11.071 1.109 102 H GLU 14 H GLU 14 6.581 -8.177 -0.764 103 HA GLU 14 HA GLU 14 8.656 -6.323 -0.344 104 HB2 GLU 14 2HB GLU 14 6.996 -6.999 -2.773 105 HB3 GLU 14 1HB GLU 14 8.343 -5.865 -2.837 106 HG2 GLU 14 2HG GLU 14 9.888 -7.584 -2.066 107 HG3 GLU 14 1HG GLU 14 8.568 -8.725 -1.845 108 H ALA 15 H ALA 15 5.383 -5.744 -1.670 109 HA ALA 15 HA ALA 15 5.516 -2.976 -1.822 110 HB1 ALA 15 1HB ALA 15 2.975 -4.336 -0.970 111 HB2 ALA 15 2HB ALA 15 3.663 -4.678 -2.557 112 HB3 ALA 15 3HB ALA 15 3.205 -3.030 -2.136 113 H PHE 16 H PHE 16 4.512 -5.018 0.906 114 HA PHE 16 HA PHE 16 3.793 -2.994 2.670 115 HB2 PHE 16 2HB PHE 16 3.230 -5.023 3.576 116 HB3 PHE 16 1HB PHE 16 4.628 -5.837 2.892 117 HD1 PHE 16 1HD PHE 16 3.476 -3.651 5.688 118 HD2 PHE 16 2HD PHE 16 6.648 -6.087 4.113 119 HE1 PHE 16 1HE PHE 16 4.688 -3.486 7.849 120 HE2 PHE 16 2HE PHE 16 7.849 -5.921 6.271 121 HZ PHE 16 HZ PHE 16 6.874 -4.617 8.120 122 H SER 17 H SER 17 6.957 -4.575 2.314 123 HA SER 17 HA SER 17 8.361 -3.181 4.244 124 HB2 SER 17 2HB SER 17 9.270 -5.119 3.002 125 HB3 SER 17 1HB SER 17 9.409 -4.117 1.559 126 HG SER 17 HG SER 17 11.050 -3.061 2.434 127 H LEU 18 H LEU 18 7.525 -2.194 0.961 128 HA LEU 18 HA LEU 18 9.243 0.080 0.856 129 HB2 LEU 18 2HB LEU 18 6.680 -0.570 -0.601 130 HB3 LEU 18 1HB LEU 18 7.676 0.840 -0.963 131 HG LEU 18 HG LEU 18 8.692 -2.019 -1.009 132 HD11 LEU 18 1HD1 LEU 18 8.117 -0.291 -3.419 133 HD12 LEU 18 2HD1 LEU 18 6.916 -1.399 -2.760 134 HD13 LEU 18 3HD1 LEU 18 8.447 -2.023 -3.371 135 HD21 LEU 18 3HD2 LEU 18 10.452 -0.692 -2.534 136 HD22 LEU 18 1HD2 LEU 18 10.629 -0.750 -0.783 137 HD23 LEU 18 2HD2 LEU 18 9.924 0.673 -1.549 138 H PHE 19 H PHE 19 5.859 -0.322 1.845 139 HA PHE 19 HA PHE 19 5.463 2.475 2.341 140 HB2 PHE 19 2HB PHE 19 3.899 0.081 3.286 141 HB3 PHE 19 1HB PHE 19 3.367 1.756 3.413 142 HD1 PHE 19 2HD PHE 19 3.522 3.132 1.117 143 HD2 PHE 19 1HD PHE 19 3.226 -1.134 1.428 144 HE1 PHE 19 2HE PHE 19 2.662 3.014 -1.209 145 HE2 PHE 19 1HE PHE 19 2.386 -1.257 -0.867 146 HZ PHE 19 HZ PHE 19 2.094 0.814 -2.208 147 H ASP 20 H ASP 20 6.065 -0.323 4.494 148 HA ASP 20 HA ASP 20 5.955 1.173 6.901 149 HB2 ASP 20 2HB ASP 20 5.862 -1.355 6.646 150 HB3 ASP 20 1HB ASP 20 7.612 -1.312 6.444 151 H LYS 21 H LYS 21 7.216 3.066 5.961 152 HA LYS 21 HA LYS 21 9.982 2.932 5.449 153 HB2 LYS 21 2HB LYS 21 8.597 5.271 6.767 154 HB3 LYS 21 1HB LYS 21 10.035 5.322 5.760 155 HG2 LYS 21 2HG LYS 21 7.238 4.607 4.857 156 HG3 LYS 21 1HG LYS 21 8.089 6.093 4.493 157 HD2 LYS 21 2HD LYS 21 8.892 3.315 3.579 158 HD3 LYS 21 1HD LYS 21 8.194 4.580 2.583 159 HE2 LYS 21 2HE LYS 21 10.427 4.954 2.106 160 HE3 LYS 21 1HE LYS 21 10.277 5.985 3.525 161 HZ1 LYS 21 3HZ LYS 21 11.133 4.229 4.892 162 HZ2 LYS 21 1HZ LYS 21 12.205 4.491 3.606 163 HZ3 LYS 21 2HZ LYS 21 11.159 3.151 3.580 164 H ASP 22 H ASP 22 8.311 3.721 8.509 165 HA ASP 22 HA ASP 22 10.652 3.961 10.050 166 HB2 ASP 22 2HB ASP 22 9.169 3.742 11.966 167 HB3 ASP 22 1HB ASP 22 8.385 4.725 10.734 168 H GLY 23 H GLY 23 9.081 1.221 8.705 169 HA2 GLY 23 2HA GLY 23 9.506 -1.022 8.801 170 HA3 GLY 23 1HA GLY 23 11.111 -0.571 9.357 171 H ASP 24 H ASP 24 7.986 -0.014 10.982 172 HA ASP 24 HA ASP 24 9.067 -1.357 13.364 173 HB2 ASP 24 2HB ASP 24 7.326 -0.298 14.594 174 HB3 ASP 24 1HB ASP 24 7.988 0.910 13.499 175 H GLY 25 H GLY 25 7.286 -2.219 10.699 176 HA2 GLY 25 2HA GLY 25 6.599 -4.532 10.437 177 HA3 GLY 25 1HA GLY 25 6.110 -4.539 12.129 178 H THR 26 H THR 26 5.216 -1.618 10.837 179 HA THR 26 HA THR 26 2.627 -2.540 9.769 180 HB THR 26 HB THR 26 1.620 -0.641 11.291 181 HG1 THR 26 1HG THR 26 4.043 -1.345 12.577 182 HG21 THR 26 3HG2 THR 26 0.933 -2.941 11.522 183 HG22 THR 26 1HG2 THR 26 1.302 -2.331 13.135 184 HG23 THR 26 2HG2 THR 26 2.456 -3.373 12.301 185 H ILE 27 H ILE 27 1.402 -0.675 8.839 186 HA ILE 27 HA ILE 27 3.248 1.339 7.682 187 HB ILE 27 HB ILE 27 0.676 0.180 6.593 188 HG12 ILE 27 2HG1 ILE 27 3.501 0.035 5.532 189 HG13 ILE 27 1HG1 ILE 27 2.746 -1.244 6.480 190 HG21 ILE 27 1HG2 ILE 27 1.294 1.558 4.589 191 HG22 ILE 27 2HG2 ILE 27 2.517 2.353 5.575 192 HG23 ILE 27 3HG2 ILE 27 0.808 2.517 5.982 193 HD11 ILE 27 3HD1 ILE 27 1.631 -0.160 3.866 194 HD12 ILE 27 1HD1 ILE 27 0.974 -1.499 4.811 195 HD13 ILE 27 2HD1 ILE 27 2.545 -1.660 4.029 196 H THR 28 H THR 28 2.879 3.408 8.140 197 HA THR 28 HA THR 28 0.405 4.098 9.624 198 HB THR 28 HB THR 28 3.071 5.529 9.603 199 HG1 THR 28 1HG THR 28 2.426 3.298 10.758 200 HG21 THR 28 3HG2 THR 28 0.463 5.944 11.058 201 HG22 THR 28 1HG2 THR 28 1.425 7.116 10.161 202 HG23 THR 28 2HG2 THR 28 1.987 6.529 11.723 203 H THR 29 H THR 29 -0.423 6.292 9.321 204 HA THR 29 HA THR 29 -1.025 6.848 6.639 205 HB THR 29 HB THR 29 -2.229 8.716 7.457 206 HG1 THR 29 1HG THR 29 -0.372 8.666 9.597 207 HG21 THR 29 3HG2 THR 29 -2.061 7.095 9.990 208 HG22 THR 29 1HG2 THR 29 -2.746 6.381 8.532 209 HG23 THR 29 2HG2 THR 29 -3.479 7.815 9.235 210 H LYS 30 H LYS 30 1.308 8.313 8.840 211 HA LYS 30 HA LYS 30 2.197 10.333 7.068 212 HB2 LYS 30 2HB LYS 30 3.466 9.048 9.490 213 HB3 LYS 30 1HB LYS 30 4.186 10.408 8.626 214 HG2 LYS 30 2HG LYS 30 2.130 11.736 9.016 215 HG3 LYS 30 1HG LYS 30 1.430 10.379 9.900 216 HD2 LYS 30 2HD LYS 30 3.256 10.490 11.546 217 HD3 LYS 30 1HD LYS 30 3.986 11.828 10.659 218 HE2 LYS 30 2HE LYS 30 1.951 13.185 11.040 219 HE3 LYS 30 1HE LYS 30 1.235 11.850 11.943 220 HZ1 LYS 30 3HZ LYS 30 3.762 13.242 12.643 221 HZ2 LYS 30 1HZ LYS 30 3.050 11.977 13.520 222 HZ3 LYS 30 2HZ LYS 30 2.263 13.478 13.408 223 H GLU 31 H GLU 31 3.318 7.036 7.746 224 HA GLU 31 HA GLU 31 5.671 7.055 6.209 225 HB2 GLU 31 2HB GLU 31 3.720 4.842 6.898 226 HB3 GLU 31 1HB GLU 31 5.232 4.554 6.039 227 HG2 GLU 31 2HG GLU 31 6.540 5.309 7.867 228 HG3 GLU 31 1HG GLU 31 5.150 6.022 8.677 229 H LEU 32 H LEU 32 2.402 5.923 5.320 230 HA LEU 32 HA LEU 32 2.927 5.464 2.594 231 HB2 LEU 32 2HB LEU 32 0.964 4.602 3.597 232 HB3 LEU 32 1HB LEU 32 0.391 6.189 4.072 233 HG LEU 32 HG LEU 32 0.161 6.754 1.625 234 HD11 LEU 32 1HD1 LEU 32 1.107 3.888 1.401 235 HD12 LEU 32 2HD1 LEU 32 1.740 5.316 0.587 236 HD13 LEU 32 3HD1 LEU 32 0.172 4.657 0.120 237 HD21 LEU 32 3HD2 LEU 32 -1.789 5.260 1.229 238 HD22 LEU 32 1HD2 LEU 32 -1.785 5.957 2.849 239 HD23 LEU 32 2HD2 LEU 32 -1.291 4.283 2.608 240 H GLY 33 H GLY 33 1.614 8.347 4.232 241 HA2 GLY 33 2HA GLY 33 1.109 9.969 2.054 242 HA3 GLY 33 1HA GLY 33 1.669 10.576 3.609 243 H THR 34 H THR 34 4.200 9.422 3.717 244 HA THR 34 HA THR 34 5.730 11.250 2.239 245 HB THR 34 HB THR 34 6.556 8.619 3.491 246 HG1 THR 34 1HG THR 34 6.024 11.150 4.420 247 HG21 THR 34 3HG2 THR 34 8.328 9.170 2.043 248 HG22 THR 34 1HG2 THR 34 8.813 9.889 3.577 249 HG23 THR 34 2HG2 THR 34 8.129 10.903 2.306 250 H VAL 35 H VAL 35 5.124 7.734 1.679 251 HA VAL 35 HA VAL 35 6.618 7.520 -0.669 252 HB VAL 35 HB VAL 35 4.127 6.003 0.179 253 HG11 VAL 35 1HG1 VAL 35 4.514 5.485 -2.107 254 HG12 VAL 35 2HG1 VAL 35 5.330 4.190 -1.230 255 HG13 VAL 35 3HG1 VAL 35 6.265 5.523 -1.907 256 HG21 VAL 35 3HG2 VAL 35 5.703 5.745 1.930 257 HG22 VAL 35 1HG2 VAL 35 7.066 5.680 0.811 258 HG23 VAL 35 2HG2 VAL 35 5.944 4.323 0.914 259 H MET 36 H MET 36 3.244 8.419 -0.097 260 HA MET 36 HA MET 36 2.492 8.480 -2.860 261 HB2 MET 36 2HB MET 36 1.285 9.874 -0.461 262 HB3 MET 36 1HB MET 36 0.535 9.791 -2.057 263 HG2 MET 36 2HG MET 36 1.346 7.371 -0.427 264 HG3 MET 36 1HG MET 36 -0.289 8.018 -0.481 265 HE1 MET 36 3HE MET 36 -2.043 6.762 -2.233 266 HE2 MET 36 1HE MET 36 -1.660 7.440 -3.822 267 HE3 MET 36 2HE MET 36 -1.565 8.452 -2.383 268 H ARG 37 H ARG 37 3.677 10.953 -0.634 269 HA ARG 37 HA ARG 37 3.444 13.069 -2.564 270 HB2 ARG 37 2HB ARG 37 3.396 13.456 -0.122 271 HB3 ARG 37 1HB ARG 37 5.095 12.989 -0.039 272 HG2 ARG 37 2HG ARG 37 4.471 15.092 -2.070 273 HG3 ARG 37 1HG ARG 37 4.239 15.585 -0.396 274 HD2 ARG 37 2HD ARG 37 6.540 14.806 0.111 275 HD3 ARG 37 1HD ARG 37 6.768 14.442 -1.597 276 HE ARG 37 HE ARG 37 5.876 17.100 -1.346 277 HH11 ARG 37 1HH2 ARG 37 8.602 15.075 -0.640 278 HH12 ARG 37 2HH2 ARG 37 9.757 16.356 -0.786 279 HH21 ARG 37 1HH1 ARG 37 7.376 18.773 -1.530 280 HH22 ARG 37 2HH1 ARG 37 9.061 18.456 -1.294 281 H SER 38 H SER 38 6.223 11.280 -1.231 282 HA SER 38 HA SER 38 8.267 12.452 -2.665 283 HB2 SER 38 2HB SER 38 7.907 9.580 -1.802 284 HB3 SER 38 1HB SER 38 9.399 10.187 -2.509 285 HG SER 38 HG SER 38 8.123 11.375 -0.273 286 H LEU 39 H LEU 39 5.721 10.406 -3.827 287 HA LEU 39 HA LEU 39 7.107 9.799 -6.332 288 HB2 LEU 39 2HB LEU 39 4.393 9.078 -5.234 289 HB3 LEU 39 1HB LEU 39 4.948 8.607 -6.841 290 HG LEU 39 HG LEU 39 6.545 7.992 -4.339 291 HD11 LEU 39 1HD1 LEU 39 4.189 6.983 -4.307 292 HD12 LEU 39 2HD1 LEU 39 5.522 5.836 -4.198 293 HD13 LEU 39 3HD1 LEU 39 4.677 6.058 -5.728 294 HD21 LEU 39 3HD2 LEU 39 6.637 7.107 -7.227 295 HD22 LEU 39 1HD2 LEU 39 7.291 6.068 -5.962 296 HD23 LEU 39 2HD2 LEU 39 7.951 7.681 -6.203 297 H GLY 40 H GLY 40 5.025 12.189 -5.038 298 HA2 GLY 40 2HA GLY 40 4.616 14.238 -6.183 299 HA3 GLY 40 1HA GLY 40 4.729 13.386 -7.716 300 H GLN 41 H GLN 41 2.838 11.882 -5.234 301 HA GLN 41 HA GLN 41 0.459 12.085 -6.843 302 HB2 GLN 41 2HB GLN 41 1.084 10.090 -5.435 303 HB3 GLN 41 1HB GLN 41 0.699 11.053 -4.013 304 HG2 GLN 41 2HG GLN 41 -1.243 9.727 -4.580 305 HG3 GLN 41 1HG GLN 41 -1.603 11.408 -4.946 306 HE21 GLN 41 1HE2 GLN 41 -3.041 11.138 -6.721 307 HE22 GLN 41 2HE2 GLN 41 -2.618 10.339 -8.157 308 H ASN 42 H ASN 42 -1.498 13.069 -6.288 309 HA ASN 42 HA ASN 42 -1.572 15.652 -5.627 310 HB2 ASN 42 2HB ASN 42 -3.649 13.587 -4.906 311 HB3 ASN 42 1HB ASN 42 -3.933 15.325 -4.870 312 HD21 ASN 42 1HD2 ASN 42 -4.884 12.979 -6.742 313 HD22 ASN 42 2HD2 ASN 42 -4.634 13.617 -8.296 314 HA PRO 43 HA PRO 43 -0.540 16.041 -1.299 315 HB2 PRO 43 2HB PRO 43 -1.688 18.475 -0.735 316 HB3 PRO 43 1HB PRO 43 -0.205 18.301 -1.694 317 HG2 PRO 43 2HG PRO 43 -3.010 18.747 -2.616 318 HG3 PRO 43 1HG PRO 43 -1.500 19.446 -3.225 319 HD2 PRO 43 2HD PRO 43 -2.783 17.367 -4.467 320 HD3 PRO 43 1HD PRO 43 -1.027 17.609 -4.550 321 H THR 44 H THR 44 -2.043 17.274 0.687 322 HA THR 44 HA THR 44 -3.886 17.105 2.052 323 HB THR 44 HB THR 44 -5.974 16.439 1.245 324 HG1 THR 44 1HG THR 44 -4.488 14.534 0.036 325 HG21 THR 44 3HG2 THR 44 -5.002 16.970 -1.504 326 HG22 THR 44 1HG2 THR 44 -4.466 18.159 -0.317 327 HG23 THR 44 2HG2 THR 44 -6.187 17.856 -0.549 328 H GLU 45 H GLU 45 -3.136 15.976 3.702 329 HA GLU 45 HA GLU 45 -2.551 13.132 3.491 330 HB2 GLU 45 2HB GLU 45 -1.055 14.560 4.794 331 HB3 GLU 45 1HB GLU 45 -2.388 15.013 5.855 332 HG2 GLU 45 2HG GLU 45 -2.649 12.721 6.585 333 HG3 GLU 45 1HG GLU 45 -1.432 12.171 5.435 334 H ALA 46 H ALA 46 -4.694 15.198 5.442 335 HA ALA 46 HA ALA 46 -6.121 13.500 6.946 336 HB1 ALA 46 1HB ALA 46 -7.409 15.547 5.132 337 HB2 ALA 46 2HB ALA 46 -6.640 15.913 6.675 338 HB3 ALA 46 3HB ALA 46 -8.095 14.915 6.628 339 H GLU 47 H GLU 47 -6.224 13.718 3.463 340 HA GLU 47 HA GLU 47 -8.454 12.081 2.923 341 HB2 GLU 47 2HB GLU 47 -5.953 12.838 1.435 342 HB3 GLU 47 1HB GLU 47 -7.015 11.604 0.756 343 HG2 GLU 47 2HG GLU 47 -8.922 13.249 0.970 344 HG3 GLU 47 1HG GLU 47 -7.751 14.462 1.479 345 H LEU 48 H LEU 48 -4.991 11.249 3.021 346 HA LEU 48 HA LEU 48 -5.295 8.450 2.750 347 HB2 LEU 48 2HB LEU 48 -3.178 10.263 3.845 348 HB3 LEU 48 1HB LEU 48 -3.005 8.530 4.108 349 HG LEU 48 HG LEU 48 -3.031 8.105 1.724 350 HD11 LEU 48 1HD1 LEU 48 -4.643 9.664 0.888 351 HD12 LEU 48 2HD1 LEU 48 -3.116 10.176 0.176 352 HD13 LEU 48 3HD1 LEU 48 -3.773 11.039 1.564 353 HD21 LEU 48 3HD2 LEU 48 -0.849 8.691 2.471 354 HD22 LEU 48 1HD2 LEU 48 -1.255 10.403 2.575 355 HD23 LEU 48 2HD2 LEU 48 -1.099 9.627 1.001 356 H GLN 49 H GLN 49 -4.874 10.428 5.694 357 HA GLN 49 HA GLN 49 -5.061 8.456 7.617 358 HB2 GLN 49 2HB GLN 49 -6.080 11.295 7.626 359 HB3 GLN 49 1HB GLN 49 -6.067 10.277 9.059 360 HG2 GLN 49 2HG GLN 49 -3.679 10.085 9.007 361 HG3 GLN 49 1HG GLN 49 -3.593 10.792 7.398 362 HE21 GLN 49 1HE2 GLN 49 -1.998 12.133 9.058 363 HE22 GLN 49 2HE2 GLN 49 -2.703 13.558 9.652 364 H ASP 50 H ASP 50 -7.524 9.745 5.559 365 HA ASP 50 HA ASP 50 -9.746 8.743 7.137 366 HB2 ASP 50 2HB ASP 50 -9.783 10.774 5.614 367 HB3 ASP 50 1HB ASP 50 -9.827 9.641 4.264 368 H MET 51 H MET 51 -8.069 7.796 4.135 369 HA MET 51 HA MET 51 -9.734 5.610 3.484 370 HB2 MET 51 2HB MET 51 -6.797 6.053 2.897 371 HB3 MET 51 1HB MET 51 -7.811 4.838 2.122 372 HG2 MET 51 2HG MET 51 -8.373 7.816 2.071 373 HG3 MET 51 1HG MET 51 -7.576 6.933 0.771 374 HE1 MET 51 3HE MET 51 -10.673 7.641 2.789 375 HE2 MET 51 1HE MET 51 -11.959 7.386 1.601 376 HE3 MET 51 2HE MET 51 -10.702 8.584 1.302 377 H ILE 52 H ILE 52 -6.728 5.779 5.380 378 HA ILE 52 HA ILE 52 -6.611 3.000 5.940 379 HB ILE 52 HB ILE 52 -5.367 5.393 7.303 380 HG12 ILE 52 2HG1 ILE 52 -4.167 3.166 5.623 381 HG13 ILE 52 1HG1 ILE 52 -4.653 4.733 4.984 382 HG21 ILE 52 1HG2 ILE 52 -5.521 3.756 9.030 383 HG22 ILE 52 2HG2 ILE 52 -3.892 3.593 8.379 384 HG23 ILE 52 3HG2 ILE 52 -5.144 2.438 7.921 385 HD11 ILE 52 3HD1 ILE 52 -2.206 4.533 5.574 386 HD12 ILE 52 1HD1 ILE 52 -2.703 4.436 7.266 387 HD13 ILE 52 2HD1 ILE 52 -3.065 5.881 6.314 388 H ASN 53 H ASN 53 -7.980 5.761 7.669 389 HA ASN 53 HA ASN 53 -8.688 4.655 10.076 390 HB2 ASN 53 2HB ASN 53 -9.092 6.986 9.588 391 HB3 ASN 53 1HB ASN 53 -10.263 6.566 8.342 392 HD21 ASN 53 1HD2 ASN 53 -11.733 7.981 9.756 393 HD22 ASN 53 2HD2 ASN 53 -12.525 7.232 11.059 394 H GLU 54 H GLU 54 -10.271 4.200 6.951 395 HA GLU 54 HA GLU 54 -12.536 2.799 8.011 396 HB2 GLU 54 2HB GLU 54 -11.387 2.975 5.219 397 HB3 GLU 54 1HB GLU 54 -12.903 2.165 5.611 398 HG2 GLU 54 2HG GLU 54 -12.318 5.063 6.268 399 HG3 GLU 54 1HG GLU 54 -13.193 4.539 4.832 400 H VAL 55 H VAL 55 -9.454 1.764 6.526 401 HA VAL 55 HA VAL 55 -10.157 -1.052 7.015 402 HB VAL 55 HB VAL 55 -8.055 -1.512 5.729 403 HG11 VAL 55 1HG1 VAL 55 -9.011 -0.742 3.554 404 HG12 VAL 55 2HG1 VAL 55 -10.149 0.270 4.444 405 HG13 VAL 55 3HG1 VAL 55 -10.219 -1.486 4.601 406 HG21 VAL 55 3HG2 VAL 55 -8.126 1.453 5.131 407 HG22 VAL 55 1HG2 VAL 55 -6.909 0.285 4.616 408 HG23 VAL 55 2HG2 VAL 55 -7.030 0.745 6.315 409 H ASP 56 H ASP 56 -9.264 1.034 9.130 410 HA ASP 56 HA ASP 56 -6.735 -0.032 10.064 411 HB2 ASP 56 2HB ASP 56 -7.137 1.436 12.025 412 HB3 ASP 56 1HB ASP 56 -7.249 2.300 10.493 413 H ALA 57 H ALA 57 -6.621 -1.988 10.933 414 HA ALA 57 HA ALA 57 -8.774 -3.524 11.833 415 HB1 ALA 57 1HB ALA 57 -7.087 -5.051 12.721 416 HB2 ALA 57 2HB ALA 57 -5.858 -3.794 12.574 417 HB3 ALA 57 3HB ALA 57 -6.616 -4.459 11.127 418 H ASP 58 H ASP 58 -6.168 -2.237 13.963 419 HA ASP 58 HA ASP 58 -7.923 -2.547 16.271 420 HB2 ASP 58 2HB ASP 58 -5.531 -3.227 16.317 421 HB3 ASP 58 1HB ASP 58 -5.079 -1.536 16.119 422 H GLY 59 H GLY 59 -7.540 -0.177 13.998 423 HA2 GLY 59 2HA GLY 59 -8.287 2.018 13.952 424 HA3 GLY 59 1HA GLY 59 -8.872 1.799 15.596 425 H ASN 60 H ASN 60 -5.591 1.035 14.869 426 HA ASN 60 HA ASN 60 -4.623 3.025 16.721 427 HB2 ASN 60 2HB ASN 60 -3.345 0.805 15.126 428 HB3 ASN 60 1HB ASN 60 -2.386 1.941 16.072 429 HD21 ASN 60 1HD2 ASN 60 -2.444 -0.846 16.723 430 HD22 ASN 60 2HD2 ASN 60 -3.235 -1.035 18.213 431 H GLY 61 H GLY 61 -5.237 2.889 13.410 432 HA2 GLY 61 2HA GLY 61 -5.039 4.747 11.960 433 HA3 GLY 61 1HA GLY 61 -3.737 5.375 12.963 434 H THR 62 H THR 62 -3.388 2.065 12.438 435 HA THR 62 HA THR 62 -1.625 2.463 10.080 436 HB THR 62 HB THR 62 0.082 1.108 11.103 437 HG1 THR 62 1HG THR 62 -0.713 0.729 13.547 438 HG21 THR 62 3HG2 THR 62 -0.900 2.951 13.292 439 HG22 THR 62 1HG2 THR 62 -0.134 3.542 11.819 440 HG23 THR 62 2HG2 THR 62 0.766 2.505 12.924 441 H ILE 63 H ILE 63 -1.111 0.477 8.958 442 HA ILE 63 HA ILE 63 -3.384 -1.423 8.984 443 HB ILE 63 HB ILE 63 -1.476 -0.710 6.754 444 HG12 ILE 63 2HG1 ILE 63 -4.459 -0.228 6.957 445 HG13 ILE 63 1HG1 ILE 63 -3.270 0.980 7.449 446 HG21 ILE 63 1HG2 ILE 63 -3.092 -2.088 5.396 447 HG22 ILE 63 2HG2 ILE 63 -3.836 -2.611 6.907 448 HG23 ILE 63 3HG2 ILE 63 -2.162 -3.038 6.553 449 HD11 ILE 63 3HD1 ILE 63 -4.219 0.921 4.984 450 HD12 ILE 63 1HD1 ILE 63 -2.958 -0.292 4.771 451 HD13 ILE 63 2HD1 ILE 63 -2.536 1.336 5.313 452 H ASP 64 H ASP 64 -3.040 -3.449 9.361 453 HA ASP 64 HA ASP 64 -0.415 -4.347 10.237 454 HB2 ASP 64 2HB ASP 64 -3.059 -5.796 10.127 455 HB3 ASP 64 1HB ASP 64 -1.580 -6.455 10.820 456 H PHE 65 H PHE 65 0.374 -6.536 9.607 457 HA PHE 65 HA PHE 65 1.200 -6.624 6.980 458 HB2 PHE 65 2HB PHE 65 1.099 -8.569 9.240 459 HB3 PHE 65 1HB PHE 65 1.398 -9.259 7.650 460 HD1 PHE 65 2HD PHE 65 3.324 -8.317 6.292 461 HD2 PHE 65 1HD PHE 65 2.762 -7.458 10.444 462 HE1 PHE 65 2HE PHE 65 5.686 -7.666 6.463 463 HE2 PHE 65 1HE PHE 65 5.132 -6.783 10.631 464 HZ PHE 65 HZ PHE 65 6.603 -6.885 8.634 465 HA PRO 66 HA PRO 66 -2.016 -10.044 5.817 466 HB2 PRO 66 2HB PRO 66 -4.224 -10.244 7.527 467 HB3 PRO 66 1HB PRO 66 -2.806 -11.311 7.559 468 HG2 PRO 66 2HG PRO 66 -3.426 -8.938 9.261 469 HG3 PRO 66 1HG PRO 66 -2.689 -10.488 9.708 470 HD2 PRO 66 2HD PRO 66 -1.192 -8.286 9.389 471 HD3 PRO 66 1HD PRO 66 -0.602 -9.889 8.897 472 H GLU 67 H GLU 67 -3.483 -7.336 7.584 473 HA GLU 67 HA GLU 67 -5.761 -6.907 6.120 474 HB2 GLU 67 2HB GLU 67 -3.842 -4.907 7.321 475 HB3 GLU 67 1HB GLU 67 -5.429 -4.470 6.691 476 HG2 GLU 67 2HG GLU 67 -4.993 -6.587 8.808 477 HG3 GLU 67 1HG GLU 67 -5.382 -4.909 9.179 478 H PHE 68 H PHE 68 -2.554 -5.519 5.431 479 HA PHE 68 HA PHE 68 -3.264 -4.209 3.052 480 HB2 PHE 68 2HB PHE 68 -1.187 -3.773 4.278 481 HB3 PHE 68 1HB PHE 68 -0.588 -5.368 3.820 482 HD1 PHE 68 1HD PHE 68 -0.164 -5.906 1.424 483 HD2 PHE 68 2HD PHE 68 -1.220 -1.946 2.714 484 HE1 PHE 68 1HE PHE 68 0.652 -4.981 -0.730 485 HE2 PHE 68 2HE PHE 68 -0.419 -1.029 0.553 486 HZ PHE 68 HZ PHE 68 0.508 -2.553 -1.170 487 H LEU 69 H LEU 69 -1.887 -7.417 3.629 488 HA LEU 69 HA LEU 69 -1.611 -8.241 0.979 489 HB2 LEU 69 2HB LEU 69 -0.616 -9.570 2.640 490 HB3 LEU 69 1HB LEU 69 -2.126 -9.724 3.538 491 HG LEU 69 HG LEU 69 -2.146 -10.789 0.737 492 HD11 LEU 69 1HD1 LEU 69 -0.455 -11.958 2.935 493 HD12 LEU 69 2HD1 LEU 69 -0.071 -11.736 1.230 494 HD13 LEU 69 3HD1 LEU 69 -1.193 -13.002 1.717 495 HD21 LEU 69 3HD2 LEU 69 -4.018 -10.881 2.583 496 HD22 LEU 69 1HD2 LEU 69 -3.070 -12.210 3.238 497 HD23 LEU 69 2HD2 LEU 69 -3.721 -12.314 1.604 498 H THR 70 H THR 70 -4.496 -7.897 2.926 499 HA THR 70 HA THR 70 -6.107 -9.491 1.102 500 HB THR 70 HB THR 70 -6.975 -7.823 3.454 501 HG1 THR 70 1HG THR 70 -5.979 -9.268 4.583 502 HG21 THR 70 3HG2 THR 70 -8.905 -9.318 3.439 503 HG22 THR 70 1HG2 THR 70 -8.205 -10.246 2.113 504 HG23 THR 70 2HG2 THR 70 -8.731 -8.584 1.844 505 H MET 71 H MET 71 -6.615 -6.221 2.427 506 HA MET 71 HA MET 71 -8.444 -5.356 0.578 507 HB2 MET 71 2HB MET 71 -7.970 -3.110 1.225 508 HB3 MET 71 1HB MET 71 -7.742 -4.126 2.644 509 HG2 MET 71 2HG MET 71 -5.327 -4.162 2.237 510 HG3 MET 71 1HG MET 71 -5.520 -3.123 0.828 511 HE1 MET 71 3HE MET 71 -5.733 -2.078 5.261 512 HE2 MET 71 1HE MET 71 -4.985 -3.467 4.465 513 HE3 MET 71 2HE MET 71 -6.739 -3.360 4.594 514 H MET 72 H MET 72 -5.133 -6.010 -0.036 515 HA MET 72 HA MET 72 -5.002 -4.242 -2.359 516 HB2 MET 72 2HB MET 72 -2.755 -4.887 -2.556 517 HB3 MET 72 1HB MET 72 -3.039 -4.853 -0.825 518 HG2 MET 72 2HG MET 72 -3.419 -7.305 -0.857 519 HG3 MET 72 1HG MET 72 -3.051 -7.335 -2.577 520 HE1 MET 72 3HE MET 72 -1.084 -8.641 -2.931 521 HE2 MET 72 1HE MET 72 0.513 -7.898 -2.757 522 HE3 MET 72 2HE MET 72 -0.764 -7.057 -3.632 523 H ALA 73 H ALA 73 -5.772 -7.564 -1.631 524 HA ALA 73 HA ALA 73 -5.479 -8.572 -4.308 525 HB1 ALA 73 1HB ALA 73 -5.284 -10.181 -2.588 526 HB2 ALA 73 2HB ALA 73 -6.864 -10.501 -3.305 527 HB3 ALA 73 3HB ALA 73 -6.747 -9.618 -1.779 528 H ARG 74 H ARG 74 -8.414 -8.311 -2.299 529 HA ARG 74 HA ARG 74 -10.242 -8.562 -4.396 530 HB2 ARG 74 2HB ARG 74 -11.878 -7.554 -2.808 531 HB3 ARG 74 1HB ARG 74 -10.914 -8.837 -2.076 532 HG2 ARG 74 2HG ARG 74 -9.403 -7.155 -1.094 533 HG3 ARG 74 1HG ARG 74 -10.359 -5.866 -1.825 534 HD2 ARG 74 2HD ARG 74 -11.521 -7.910 0.082 535 HD3 ARG 74 1HD ARG 74 -10.893 -6.349 0.605 536 HE ARG 74 HE ARG 74 -12.687 -5.765 -1.407 537 HH11 ARG 74 1HH2 ARG 74 -12.730 -7.463 1.622 538 HH12 ARG 74 2HH2 ARG 74 -14.380 -7.072 1.972 539 HH21 ARG 74 1HH1 ARG 74 -14.858 -5.248 -0.942 540 HH22 ARG 74 2HH1 ARG 74 -15.584 -5.819 0.523 541 H LYS 75 H LYS 75 -8.203 -5.962 -3.556 542 HA LYS 75 HA LYS 75 -7.972 -3.816 -4.327 543 HB2 LYS 75 2HB LYS 75 -7.767 -4.996 -6.472 544 HB3 LYS 75 1HB LYS 75 -9.515 -4.947 -6.681 545 HG2 LYS 75 2HG LYS 75 -9.462 -2.486 -6.715 546 HG3 LYS 75 1HG LYS 75 -7.721 -2.511 -6.440 547 HD2 LYS 75 2HD LYS 75 -7.395 -3.701 -8.572 548 HD3 LYS 75 1HD LYS 75 -9.137 -3.696 -8.845 549 HE2 LYS 75 2HE LYS 75 -8.132 -1.852 -10.086 550 HE3 LYS 75 1HE LYS 75 -9.106 -1.200 -8.767 551 HZ1 LYS 75 3HZ LYS 75 -6.807 -1.414 -7.523 552 HZ2 LYS 75 1HZ LYS 75 -7.208 -0.042 -8.434 553 HZ3 LYS 75 2HZ LYS 75 -6.206 -1.241 -9.103 554 H MET 76 H MET 76 -10.979 -4.150 -6.067 555 HA MET 76 HA MET 76 -12.062 -1.824 -4.744 556 HB2 MET 76 2HB MET 76 -12.294 -2.703 -7.252 557 HB3 MET 76 1HB MET 76 -13.699 -3.533 -6.594 558 HG2 MET 76 2HG MET 76 -14.581 -1.476 -7.318 559 HG3 MET 76 1HG MET 76 -14.321 -1.206 -5.596 560 HE1 MET 76 3HE MET 76 -14.155 0.380 -8.802 561 HE2 MET 76 1HE MET 76 -12.876 -0.780 -9.187 562 HE3 MET 76 2HE MET 76 -12.515 0.942 -9.115 563 H LYS 77 H LYS 77 -14.823 -2.806 -5.042 564 HA LYS 77 HA LYS 77 -15.250 -3.689 -2.374 565 HB2 LYS 77 2HB LYS 77 -17.091 -3.526 -4.774 566 HB3 LYS 77 1HB LYS 77 -17.635 -3.887 -3.136 567 HG2 LYS 77 2HG LYS 77 -16.727 -1.720 -2.355 568 HG3 LYS 77 1HG LYS 77 -16.177 -1.361 -3.992 569 HD2 LYS 77 2HD LYS 77 -18.515 -1.455 -4.801 570 HD3 LYS 77 1HD LYS 77 -19.065 -1.811 -3.166 571 HE2 LYS 77 2HE LYS 77 -18.165 0.358 -2.386 572 HE3 LYS 77 1HE LYS 77 -17.618 0.720 -4.022 573 HZ1 LYS 77 3HZ LYS 77 -19.620 1.518 -4.458 574 HZ2 LYS 77 1HZ LYS 77 -20.164 1.107 -2.904 575 HZ3 LYS 77 2HZ LYS 77 -20.302 -0.012 -4.172 576 H1 GLY 45 1HT GLY 45 -17.041 4.546 -8.162 577 H2 GLY 45 2HT GLY 45 -15.419 4.153 -7.836 578 H3 GLY 45 3HT GLY 45 -15.999 5.716 -7.511 579 HA2 GLY 45 2HA GLY 45 -17.533 4.773 -5.846 580 HA3 GLY 45 1HA GLY 45 -16.767 3.207 -6.123 581 H THR 46 H THR 46 -15.404 2.762 -4.475 582 HA THR 46 HA THR 46 -14.280 4.703 -2.761 583 HB THR 46 HB THR 46 -13.244 1.894 -3.232 584 HG1 THR 46 1HG THR 46 -14.740 1.847 -1.172 585 HG21 THR 46 3HG2 THR 46 -12.715 2.147 -0.752 586 HG22 THR 46 1HG2 THR 46 -13.062 3.865 -0.944 587 HG23 THR 46 2HG2 THR 46 -11.736 3.126 -1.842 588 H GLY 47 H GLY 47 -12.480 5.892 -2.884 589 HA2 GLY 47 2HA GLY 47 -10.886 5.799 -5.325 590 HA3 GLY 47 1HA GLY 47 -10.810 7.022 -4.061 591 H ALA 48 H ALA 48 -10.755 4.573 -2.162 592 HA ALA 48 HA ALA 48 -8.033 4.641 -1.530 593 HB1 ALA 48 1HB ALA 48 -10.122 3.887 -0.160 594 HB2 ALA 48 2HB ALA 48 -8.566 3.127 0.166 595 HB3 ALA 48 3HB ALA 48 -9.768 2.292 -0.820 596 H ALA 49 H ALA 49 -9.862 2.091 -3.254 597 HA ALA 49 HA ALA 49 -7.751 0.283 -3.601 598 HB1 ALA 49 1HB ALA 49 -10.255 0.839 -5.183 599 HB2 ALA 49 2HB ALA 49 -9.923 -0.506 -4.093 600 HB3 ALA 49 3HB ALA 49 -9.125 -0.428 -5.664 601 H LEU 50 H LEU 50 -8.860 2.903 -5.731 602 HA LEU 50 HA LEU 50 -6.997 2.471 -7.804 603 HB2 LEU 50 2HB LEU 50 -9.151 4.026 -7.607 604 HB3 LEU 50 1HB LEU 50 -7.967 5.242 -7.144 605 HG LEU 50 HG LEU 50 -7.944 3.607 -9.699 606 HD11 LEU 50 1HD1 LEU 50 -8.546 6.515 -9.108 607 HD12 LEU 50 2HD1 LEU 50 -9.636 5.316 -9.806 608 HD13 LEU 50 3HD1 LEU 50 -8.249 5.892 -10.731 609 HD21 LEU 50 3HD2 LEU 50 -5.673 3.980 -9.276 610 HD22 LEU 50 1HD2 LEU 50 -5.963 5.525 -8.475 611 HD23 LEU 50 2HD2 LEU 50 -6.094 5.396 -10.231 612 H SER 51 H SER 51 -6.899 4.464 -4.884 613 HA SER 51 HA SER 51 -4.517 5.849 -5.340 614 HB2 SER 51 2HB SER 51 -5.631 4.821 -2.719 615 HB3 SER 51 1HB SER 51 -4.426 6.095 -2.892 616 HG SER 51 HG SER 51 -5.944 7.441 -3.481 617 H TRP 52 H TRP 52 -5.097 2.697 -3.850 618 HA TRP 52 HA TRP 52 -2.407 2.141 -3.183 619 HB2 TRP 52 2HB TRP 52 -4.852 0.430 -3.608 620 HB3 TRP 52 1HB TRP 52 -3.290 -0.285 -3.217 621 HD1 TRP 52 HD TRP 52 -6.292 0.864 -1.569 622 HE1 TRP 52 1HE TRP 52 -5.877 1.417 0.914 623 HE3 TRP 52 3HE TRP 52 -1.180 1.064 -1.539 624 HZ2 TRP 52 2HZ TRP 52 -3.680 1.879 2.684 625 HZ3 TRP 52 3HZ TRP 52 0.042 1.562 0.551 626 HH2 TRP 52 HH TRP 52 -1.187 1.971 2.660 627 H GLN 53 H GLN 53 -4.350 1.508 -6.075 628 HA GLN 53 HA GLN 53 -2.522 -0.169 -7.413 629 HB2 GLN 53 2HB GLN 53 -4.903 0.161 -8.069 630 HB3 GLN 53 1HB GLN 53 -4.486 1.772 -8.654 631 HG2 GLN 53 2HG GLN 53 -2.885 0.801 -10.243 632 HG3 GLN 53 1HG GLN 53 -3.251 -0.813 -9.640 633 HE21 GLN 53 1HE2 GLN 53 -3.666 -0.075 -12.394 634 HE22 GLN 53 2HE2 GLN 53 -5.336 -0.113 -12.700 635 H ALA 54 H ALA 54 -2.932 3.378 -7.555 636 HA ALA 54 HA ALA 54 -0.889 3.810 -9.480 637 HB1 ALA 54 1HB ALA 54 -1.912 5.742 -7.387 638 HB2 ALA 54 2HB ALA 54 -2.686 5.447 -8.944 639 HB3 ALA 54 3HB ALA 54 -1.071 6.154 -8.883 640 H ALA 55 H ALA 55 -0.885 3.768 -5.939 641 HA ALA 55 HA ALA 55 1.737 4.747 -5.560 642 HB1 ALA 55 1HB ALA 55 -0.107 4.447 -3.818 643 HB2 ALA 55 2HB ALA 55 1.521 3.995 -3.317 644 HB3 ALA 55 3HB ALA 55 0.359 2.747 -3.768 645 H ILE 56 H ILE 56 0.476 1.443 -5.895 646 HA ILE 56 HA ILE 56 2.947 0.106 -5.510 647 HB ILE 56 HB ILE 56 0.408 -0.702 -6.947 648 HG12 ILE 56 2HG1 ILE 56 1.528 -1.616 -4.285 649 HG13 ILE 56 1HG1 ILE 56 0.401 -0.269 -4.434 650 HG21 ILE 56 1HG2 ILE 56 1.377 -3.047 -6.601 651 HG22 ILE 56 2HG2 ILE 56 2.929 -2.255 -6.331 652 HG23 ILE 56 3HG2 ILE 56 2.110 -2.085 -7.884 653 HD11 ILE 56 3HD1 ILE 56 -1.339 -1.658 -5.233 654 HD12 ILE 56 1HD1 ILE 56 -0.592 -2.611 -3.951 655 HD13 ILE 56 2HD1 ILE 56 -0.227 -2.966 -5.640 656 H ASP 57 H ASP 57 1.237 1.194 -8.427 657 HA ASP 57 HA ASP 57 3.063 0.151 -10.310 658 HB2 ASP 57 2HB ASP 57 0.807 0.881 -10.910 659 HB3 ASP 57 1HB ASP 57 1.223 2.544 -10.509 660 H ALA 58 H ALA 58 2.775 3.418 -8.911 661 HA ALA 58 HA ALA 58 5.044 4.480 -10.243 662 HB1 ALA 58 1HB ALA 58 4.881 6.292 -8.542 663 HB2 ALA 58 2HB ALA 58 3.651 5.348 -7.703 664 HB3 ALA 58 3HB ALA 58 3.343 5.946 -9.332 665 H ALA 59 H ALA 59 4.598 2.904 -7.106 666 HA ALA 59 HA ALA 59 7.199 3.383 -6.088 667 HB1 ALA 59 1HB ALA 59 5.148 1.233 -5.519 668 HB2 ALA 59 2HB ALA 59 5.496 2.676 -4.566 669 HB3 ALA 59 3HB ALA 59 6.671 1.364 -4.636 670 H ARG 60 H ARG 60 5.822 0.786 -8.044 671 HA ARG 60 HA ARG 60 8.092 -0.901 -8.071 672 HB2 ARG 60 2HB ARG 60 5.744 -0.561 -9.934 673 HB3 ARG 60 1HB ARG 60 6.978 -1.796 -10.185 674 HG2 ARG 60 2HG ARG 60 5.699 -1.582 -7.465 675 HG3 ARG 60 1HG ARG 60 4.781 -2.339 -8.766 676 HD2 ARG 60 2HD ARG 60 6.523 -3.972 -9.129 677 HD3 ARG 60 1HD ARG 60 7.600 -3.144 -8.010 678 HE ARG 60 HE ARG 60 6.494 -4.182 -6.274 679 HH11 ARG 60 1HH2 ARG 60 4.542 -4.251 -9.156 680 HH12 ARG 60 2HH2 ARG 60 3.382 -5.353 -8.494 681 HH21 ARG 60 1HH1 ARG 60 4.976 -5.606 -5.419 682 HH22 ARG 60 2HH1 ARG 60 3.629 -6.119 -6.376 683 H GLN 61 H GLN 61 7.029 1.723 -10.196 684 HA GLN 61 HA GLN 61 9.075 1.401 -12.136 685 HB2 GLN 61 2HB GLN 61 7.028 2.706 -12.571 686 HB3 GLN 61 1HB GLN 61 7.530 3.895 -11.370 687 HG2 GLN 61 2HG GLN 61 9.506 4.450 -12.671 688 HG3 GLN 61 1HG GLN 61 9.153 3.164 -13.821 689 HE21 GLN 61 1HE2 GLN 61 6.143 4.248 -13.143 690 HE22 GLN 61 2HE2 GLN 61 5.988 5.473 -14.307 691 H ALA 62 H ALA 62 8.795 3.343 -9.191 692 HA ALA 62 HA ALA 62 11.257 4.726 -9.463 693 HB1 ALA 62 1HB ALA 62 9.354 5.351 -7.929 694 HB2 ALA 62 2HB ALA 62 10.946 5.373 -7.171 695 HB3 ALA 62 3HB ALA 62 9.849 4.021 -6.880 696 H LYS 63 H LYS 63 10.345 1.765 -7.712 697 HA LYS 63 HA LYS 63 12.901 1.242 -6.611 698 HB2 LYS 63 2HB LYS 63 10.796 0.180 -5.822 699 HB3 LYS 63 1HB LYS 63 10.721 -0.739 -7.326 700 HG2 LYS 63 2HG LYS 63 12.871 -1.800 -6.814 701 HG3 LYS 63 1HG LYS 63 13.010 -0.843 -5.338 702 HD2 LYS 63 2HD LYS 63 10.938 -1.880 -4.475 703 HD3 LYS 63 1HD LYS 63 10.818 -2.852 -5.941 704 HE2 LYS 63 2HE LYS 63 12.980 -3.910 -5.436 705 HE3 LYS 63 1HE LYS 63 13.133 -2.923 -3.982 706 HZ1 LYS 63 3HZ LYS 63 11.053 -4.962 -4.548 707 HZ2 LYS 63 1HZ LYS 63 11.017 -3.915 -3.215 708 HZ3 LYS 63 2HZ LYS 63 12.276 -5.045 -3.371 709 H LEU 64 H LEU 64 11.300 0.062 -9.566 710 HA LEU 64 HA LEU 64 13.396 -1.613 -10.421 711 HB2 LEU 64 2HB LEU 64 11.176 -1.824 -11.366 712 HB3 LEU 64 1HB LEU 64 11.239 -0.180 -11.994 713 HG LEU 64 HG LEU 64 13.064 -0.791 -13.513 714 HD11 LEU 64 1HD1 LEU 64 14.345 -2.413 -12.397 715 HD12 LEU 64 2HD1 LEU 64 13.535 -3.370 -13.636 716 HD13 LEU 64 3HD1 LEU 64 12.936 -3.386 -11.977 717 HD21 LEU 64 3HD2 LEU 64 10.732 -1.177 -14.252 718 HD22 LEU 64 1HD2 LEU 64 10.809 -2.819 -13.608 719 HD23 LEU 64 2HD2 LEU 64 11.840 -2.352 -14.961 720 H MET 65 H MET 65 12.623 1.761 -11.270 721 HA MET 65 HA MET 65 14.817 2.092 -13.044 722 HB2 MET 65 2HB MET 65 13.014 4.023 -11.594 723 HB3 MET 65 1HB MET 65 14.333 4.579 -12.622 724 HG2 MET 65 2HG MET 65 13.399 3.294 -14.517 725 HG3 MET 65 1HG MET 65 12.076 2.744 -13.489 726 HE1 MET 65 3HE MET 65 14.029 5.980 -14.469 727 HE2 MET 65 1HE MET 65 12.776 6.827 -15.384 728 HE3 MET 65 2HE MET 65 13.345 5.249 -15.917 729 H GLY 66 H GLY 66 14.395 2.689 -9.587 730 HA2 GLY 66 2HA GLY 66 16.125 2.594 -7.988 731 HA3 GLY 66 1HA GLY 66 17.310 2.811 -9.270 732 H SER 67 H SER 67 15.166 5.076 -10.067 733 HA SER 67 HA SER 67 16.719 7.206 -8.886 734 HB2 SER 67 2HB SER 67 15.087 8.669 -10.140 735 HB3 SER 67 1HB SER 67 15.989 7.536 -11.142 736 HG SER 67 HG SER 67 13.517 6.791 -10.031 737 H ALA 68 H ALA 68 15.670 9.059 -7.800 738 HA ALA 68 HA ALA 68 14.354 8.304 -5.445 739 HB1 ALA 68 1HB ALA 68 15.636 10.379 -5.638 740 HB2 ALA 68 2HB ALA 68 13.989 10.729 -5.116 741 HB3 ALA 68 3HB ALA 68 14.464 11.012 -6.792 Start of MODEL 8 1 H1 ALA 1 1HT ALA 1 -5.483 -17.729 -10.525 2 H2 ALA 1 2HT ALA 1 -6.018 -17.114 -9.035 3 H3 ALA 1 3HT ALA 1 -6.955 -16.894 -10.435 4 HA ALA 1 HA ALA 1 -7.632 -19.080 -10.517 5 HB1 ALA 1 2HB ALA 1 -5.342 -19.644 -8.605 6 HB2 ALA 1 3HB ALA 1 -5.426 -20.102 -10.307 7 HB3 ALA 1 1HB ALA 1 -6.521 -20.842 -9.139 8 H ASP 2 H ASP 2 -8.049 -20.620 -8.227 9 HA ASP 2 HA ASP 2 -9.941 -18.951 -6.829 10 HB2 ASP 2 2HB ASP 2 -10.482 -21.125 -5.681 11 HB3 ASP 2 1HB ASP 2 -10.624 -21.160 -7.439 12 H GLN 3 H GLN 3 -6.691 -19.441 -6.428 13 HA GLN 3 HA GLN 3 -6.835 -18.766 -3.550 14 HB2 GLN 3 2HB GLN 3 -5.009 -20.804 -4.845 15 HB3 GLN 3 1HB GLN 3 -4.816 -20.197 -3.200 16 HG2 GLN 3 2HG GLN 3 -7.066 -21.012 -2.621 17 HG3 GLN 3 1HG GLN 3 -7.286 -21.597 -4.269 18 HE21 GLN 3 1HE2 GLN 3 -7.123 -23.852 -4.178 19 HE22 GLN 3 2HE2 GLN 3 -5.902 -24.696 -3.356 20 H LEU 4 H LEU 4 -4.515 -18.067 -2.836 21 HA LEU 4 HA LEU 4 -3.870 -15.701 -4.214 22 HB2 LEU 4 2HB LEU 4 -2.582 -17.277 -2.013 23 HB3 LEU 4 1HB LEU 4 -1.680 -15.955 -2.724 24 HG LEU 4 HG LEU 4 -3.028 -15.296 -0.717 25 HD11 LEU 4 1HD1 LEU 4 -2.524 -13.806 -2.905 26 HD12 LEU 4 2HD1 LEU 4 -3.461 -13.193 -1.547 27 HD13 LEU 4 3HD1 LEU 4 -4.286 -13.790 -2.982 28 HD21 LEU 4 3HD2 LEU 4 -5.395 -15.360 -0.738 29 HD22 LEU 4 1HD2 LEU 4 -4.931 -16.911 -1.437 30 HD23 LEU 4 2HD2 LEU 4 -5.460 -15.594 -2.485 31 H THR 5 H THR 5 -1.033 -15.700 -4.309 32 HA THR 5 HA THR 5 -0.094 -17.757 -6.067 33 HB THR 5 HB THR 5 -0.531 -15.015 -7.263 34 HG1 THR 5 1HG THR 5 -1.866 -16.940 -8.493 35 HG21 THR 5 3HG2 THR 5 0.432 -17.663 -8.374 36 HG22 THR 5 1HG2 THR 5 1.379 -16.186 -8.206 37 HG23 THR 5 2HG2 THR 5 0.054 -16.252 -9.362 38 H GLU 6 H GLU 6 2.155 -17.356 -6.714 39 HA GLU 6 HA GLU 6 3.804 -16.476 -4.675 40 HB2 GLU 6 2HB GLU 6 4.537 -17.881 -6.595 41 HB3 GLU 6 1HB GLU 6 4.448 -16.459 -7.635 42 HG2 GLU 6 2HG GLU 6 6.145 -15.329 -6.276 43 HG3 GLU 6 1HG GLU 6 6.210 -16.709 -5.181 44 H GLU 7 H GLU 7 3.208 -14.735 -7.687 45 HA GLU 7 HA GLU 7 4.500 -12.374 -7.175 46 HB2 GLU 7 2HB GLU 7 2.259 -11.369 -8.375 47 HB3 GLU 7 1HB GLU 7 3.521 -12.232 -9.256 48 HG2 GLU 7 2HG GLU 7 2.326 -14.286 -9.163 49 HG3 GLU 7 1HG GLU 7 1.194 -13.657 -7.973 50 H GLN 8 H GLN 8 1.046 -12.928 -6.360 51 HA GLN 8 HA GLN 8 0.475 -10.658 -5.008 52 HB2 GLN 8 2HB GLN 8 -0.382 -13.490 -4.453 53 HB3 GLN 8 1HB GLN 8 -1.111 -12.100 -3.650 54 HG2 GLN 8 2HG GLN 8 -1.758 -11.159 -5.827 55 HG3 GLN 8 1HG GLN 8 -0.951 -12.484 -6.660 56 HE21 GLN 8 1HE2 GLN 8 -3.978 -11.478 -5.598 57 HE22 GLN 8 2HE2 GLN 8 -4.742 -12.993 -5.524 58 H ILE 9 H ILE 9 1.531 -13.618 -3.250 59 HA ILE 9 HA ILE 9 1.753 -12.368 -0.790 60 HB ILE 9 HB ILE 9 3.427 -14.205 -0.245 61 HG12 ILE 9 2HG1 ILE 9 2.794 -14.922 -3.114 62 HG13 ILE 9 1HG1 ILE 9 4.376 -14.495 -2.494 63 HG21 ILE 9 1HG2 ILE 9 1.721 -15.908 -0.275 64 HG22 ILE 9 2HG2 ILE 9 0.892 -15.131 -1.622 65 HG23 ILE 9 3HG2 ILE 9 0.900 -14.370 -0.030 66 HD11 ILE 9 3HD1 ILE 9 2.830 -17.008 -2.167 67 HD12 ILE 9 1HD1 ILE 9 3.850 -16.485 -0.835 68 HD13 ILE 9 2HD1 ILE 9 4.560 -16.772 -2.416 69 H ALA 10 H ALA 10 4.349 -12.860 -3.197 70 HA ALA 10 HA ALA 10 6.378 -11.570 -1.772 71 HB1 ALA 10 1HB ALA 10 7.593 -11.596 -3.788 72 HB2 ALA 10 2HB ALA 10 6.138 -11.440 -4.773 73 HB3 ALA 10 3HB ALA 10 6.488 -12.961 -3.951 74 H GLU 11 H GLU 11 3.926 -10.333 -3.976 75 HA GLU 11 HA GLU 11 4.832 -7.705 -4.277 76 HB2 GLU 11 2HB GLU 11 2.993 -8.817 -5.583 77 HB3 GLU 11 1HB GLU 11 1.947 -8.608 -4.179 78 HG2 GLU 11 2HG GLU 11 2.312 -6.171 -4.261 79 HG3 GLU 11 1HG GLU 11 3.354 -6.376 -5.667 80 H PHE 12 H PHE 12 2.509 -9.038 -1.888 81 HA PHE 12 HA PHE 12 2.056 -6.585 -0.585 82 HB2 PHE 12 2HB PHE 12 0.509 -7.869 0.440 83 HB3 PHE 12 1HB PHE 12 1.181 -9.283 -0.351 84 HD1 PHE 12 2HD PHE 12 1.594 -7.080 2.642 85 HD2 PHE 12 1HD PHE 12 2.247 -10.947 0.922 86 HE1 PHE 12 2HE PHE 12 2.391 -7.926 4.831 87 HE2 PHE 12 1HE PHE 12 3.051 -11.797 3.095 88 HZ PHE 12 HZ PHE 12 3.124 -10.291 5.054 89 H LYS 13 H LYS 13 4.397 -9.164 -0.003 90 HA LYS 13 HA LYS 13 5.483 -8.154 2.384 91 HB2 LYS 13 2HB LYS 13 5.900 -10.429 1.624 92 HB3 LYS 13 1HB LYS 13 6.775 -9.828 0.219 93 HG2 LYS 13 2HG LYS 13 7.737 -8.815 2.863 94 HG3 LYS 13 1HG LYS 13 7.991 -10.532 2.579 95 HD2 LYS 13 2HD LYS 13 8.757 -8.546 0.445 96 HD3 LYS 13 1HD LYS 13 9.818 -8.813 1.813 97 HE2 LYS 13 2HE LYS 13 9.889 -11.218 1.304 98 HE3 LYS 13 1HE LYS 13 8.799 -10.963 -0.058 99 HZ1 LYS 13 3HZ LYS 13 11.546 -10.760 -0.069 100 HZ2 LYS 13 1HZ LYS 13 10.982 -9.164 -0.167 101 HZ3 LYS 13 2HZ LYS 13 10.481 -10.312 -1.314 102 H GLU 14 H GLU 14 6.442 -7.670 -1.006 103 HA GLU 14 HA GLU 14 8.691 -6.030 -0.487 104 HB2 GLU 14 2HB GLU 14 6.836 -6.258 -2.853 105 HB3 GLU 14 1HB GLU 14 8.271 -5.240 -2.864 106 HG2 GLU 14 2HG GLU 14 8.306 -8.217 -2.289 107 HG3 GLU 14 1HG GLU 14 8.647 -7.513 -3.865 108 H ALA 15 H ALA 15 5.384 -5.099 -1.549 109 HA ALA 15 HA ALA 15 5.720 -2.346 -1.325 110 HB1 ALA 15 1HB ALA 15 3.483 -2.240 -1.812 111 HB2 ALA 15 2HB ALA 15 3.051 -3.457 -0.608 112 HB3 ALA 15 3HB ALA 15 3.714 -3.948 -2.164 113 H PHE 16 H PHE 16 4.915 -4.754 1.105 114 HA PHE 16 HA PHE 16 4.152 -3.035 3.171 115 HB2 PHE 16 2HB PHE 16 3.732 -5.207 3.793 116 HB3 PHE 16 1HB PHE 16 5.139 -5.820 2.939 117 HD1 PHE 16 1HD PHE 16 4.408 -3.568 5.869 118 HD2 PHE 16 2HD PHE 16 6.850 -6.703 4.227 119 HE1 PHE 16 1HE PHE 16 5.725 -3.659 7.970 120 HE2 PHE 16 2HE PHE 16 8.151 -6.793 6.323 121 HZ PHE 16 HZ PHE 16 7.599 -5.268 8.179 122 H SER 17 H SER 17 7.362 -4.397 2.496 123 HA SER 17 HA SER 17 8.670 -2.947 4.546 124 HB2 SER 17 2HB SER 17 9.510 -5.049 3.391 125 HB3 SER 17 1HB SER 17 9.978 -4.017 2.044 126 HG SER 17 HG SER 17 11.158 -2.764 3.658 127 H LEU 18 H LEU 18 7.646 -2.033 1.365 128 HA LEU 18 HA LEU 18 9.592 0.052 0.997 129 HB2 LEU 18 2HB LEU 18 6.997 -0.673 -0.334 130 HB3 LEU 18 1HB LEU 18 7.860 0.799 -0.767 131 HG LEU 18 HG LEU 18 9.093 -1.975 -0.809 132 HD11 LEU 18 1HD1 LEU 18 7.600 -2.146 -2.578 133 HD12 LEU 18 2HD1 LEU 18 8.971 -1.426 -3.403 134 HD13 LEU 18 3HD1 LEU 18 7.612 -0.417 -2.911 135 HD21 LEU 18 3HD2 LEU 18 10.643 -0.495 -2.468 136 HD22 LEU 18 1HD2 LEU 18 10.959 -0.618 -0.741 137 HD23 LEU 18 2HD2 LEU 18 10.107 0.787 -1.384 138 H PHE 19 H PHE 19 6.194 -0.005 2.060 139 HA PHE 19 HA PHE 19 6.078 2.837 2.394 140 HB2 PHE 19 2HB PHE 19 4.251 0.783 3.626 141 HB3 PHE 19 1HB PHE 19 3.885 2.472 3.282 142 HD1 PHE 19 1HD PHE 19 4.712 3.007 0.602 143 HD2 PHE 19 2HD PHE 19 3.100 -0.651 2.196 144 HE1 PHE 19 1HE PHE 19 3.952 2.355 -1.657 145 HE2 PHE 19 2HE PHE 19 2.330 -1.291 -0.061 146 HZ PHE 19 HZ PHE 19 2.761 0.206 -1.995 147 H ASP 20 H ASP 20 6.121 0.167 4.778 148 HA ASP 20 HA ASP 20 6.197 1.717 7.077 149 HB2 ASP 20 2HB ASP 20 6.043 -0.812 6.909 150 HB3 ASP 20 1HB ASP 20 7.795 -0.821 6.706 151 H LYS 21 H LYS 21 7.458 3.596 6.613 152 HA LYS 21 HA LYS 21 10.158 3.554 5.806 153 HB2 LYS 21 2HB LYS 21 8.728 5.591 7.527 154 HB3 LYS 21 1HB LYS 21 10.298 5.830 6.782 155 HG2 LYS 21 2HG LYS 21 7.712 5.296 5.285 156 HG3 LYS 21 1HG LYS 21 8.497 6.866 5.445 157 HD2 LYS 21 2HD LYS 21 10.590 5.508 4.463 158 HD3 LYS 21 1HD LYS 21 9.319 4.487 3.816 159 HE2 LYS 21 2HE LYS 21 9.642 6.050 2.111 160 HE3 LYS 21 1HE LYS 21 8.282 6.748 2.998 161 HZ1 LYS 21 3HZ LYS 21 9.538 8.436 3.748 162 HZ2 LYS 21 1HZ LYS 21 10.518 8.069 2.413 163 HZ3 LYS 21 2HZ LYS 21 10.922 7.472 3.952 164 H ASP 22 H ASP 22 8.814 3.931 9.119 165 HA ASP 22 HA ASP 22 11.284 3.838 10.440 166 HB2 ASP 22 2HB ASP 22 8.733 2.759 11.634 167 HB3 ASP 22 1HB ASP 22 10.023 3.669 12.420 168 H GLY 23 H GLY 23 9.445 1.407 8.886 169 HA2 GLY 23 2HA GLY 23 9.710 -0.854 8.646 170 HA3 GLY 23 1HA GLY 23 11.390 -0.579 9.091 171 H ASP 24 H ASP 24 8.410 -0.141 11.020 172 HA ASP 24 HA ASP 24 9.621 -1.829 13.117 173 HB2 ASP 24 2HB ASP 24 8.030 -0.849 14.630 174 HB3 ASP 24 1HB ASP 24 8.796 0.441 13.707 175 H GLY 25 H GLY 25 7.519 -2.176 10.569 176 HA2 GLY 25 2HA GLY 25 6.585 -4.345 10.055 177 HA3 GLY 25 1HA GLY 25 6.332 -4.614 11.772 178 H THR 26 H THR 26 5.553 -1.470 10.700 179 HA THR 26 HA THR 26 2.720 -2.120 10.212 180 HB THR 26 HB THR 26 2.214 -0.115 11.809 181 HG1 THR 26 1HG THR 26 3.843 0.568 12.917 182 HG21 THR 26 3HG2 THR 26 2.264 -1.721 13.797 183 HG22 THR 26 1HG2 THR 26 3.015 -2.890 12.710 184 HG23 THR 26 2HG2 THR 26 1.393 -2.278 12.369 185 H ILE 27 H ILE 27 1.608 -0.537 9.039 186 HA ILE 27 HA ILE 27 3.341 1.515 7.783 187 HB ILE 27 HB ILE 27 0.803 0.249 6.767 188 HG12 ILE 27 2HG1 ILE 27 3.628 0.027 5.725 189 HG13 ILE 27 1HG1 ILE 27 2.898 -1.169 6.791 190 HG21 ILE 27 1HG2 ILE 27 1.419 1.471 4.682 191 HG22 ILE 27 2HG2 ILE 27 2.673 2.309 5.591 192 HG23 ILE 27 3HG2 ILE 27 0.974 2.545 6.005 193 HD11 ILE 27 3HD1 ILE 27 1.696 -0.331 4.140 194 HD12 ILE 27 1HD1 ILE 27 1.165 -1.659 5.172 195 HD13 ILE 27 2HD1 ILE 27 2.723 -1.748 4.352 196 H THR 28 H THR 28 2.566 3.654 7.637 197 HA THR 28 HA THR 28 0.084 4.269 9.130 198 HB THR 28 HB THR 28 2.747 5.650 9.535 199 HG1 THR 28 1HG THR 28 2.944 4.450 11.273 200 HG21 THR 28 3HG2 THR 28 -0.037 6.095 10.598 201 HG22 THR 28 1HG2 THR 28 1.086 7.266 9.916 202 HG23 THR 28 2HG2 THR 28 1.379 6.601 11.518 203 H THR 29 H THR 29 -0.572 6.581 8.836 204 HA THR 29 HA THR 29 -0.869 7.205 6.116 205 HB THR 29 HB THR 29 -1.865 9.288 6.900 206 HG1 THR 29 1HG THR 29 -0.018 9.240 8.655 207 HG21 THR 29 3HG2 THR 29 -3.214 7.299 7.247 208 HG22 THR 29 1HG2 THR 29 -3.424 8.367 8.632 209 HG23 THR 29 2HG2 THR 29 -2.380 6.953 8.760 210 H LYS 30 H LYS 30 1.410 8.309 8.548 211 HA LYS 30 HA LYS 30 2.601 10.355 6.938 212 HB2 LYS 30 2HB LYS 30 3.492 8.972 9.472 213 HB3 LYS 30 1HB LYS 30 4.402 10.276 8.707 214 HG2 LYS 30 2HG LYS 30 2.440 11.762 8.888 215 HG3 LYS 30 1HG LYS 30 1.518 10.459 9.640 216 HD2 LYS 30 2HD LYS 30 3.151 10.379 11.495 217 HD3 LYS 30 1HD LYS 30 4.053 11.699 10.750 218 HE2 LYS 30 2HE LYS 30 2.086 13.170 10.949 219 HE3 LYS 30 1HE LYS 30 1.168 11.852 11.677 220 HZ1 LYS 30 3HZ LYS 30 3.737 12.511 12.889 221 HZ2 LYS 30 1HZ LYS 30 2.289 12.015 13.618 222 HZ3 LYS 30 2HZ LYS 30 2.476 13.625 13.114 223 H GLU 31 H GLU 31 3.409 6.988 7.707 224 HA GLU 31 HA GLU 31 5.902 6.880 6.390 225 HB2 GLU 31 2HB GLU 31 3.813 4.766 6.977 226 HB3 GLU 31 1HB GLU 31 5.378 4.388 6.249 227 HG2 GLU 31 2HG GLU 31 6.547 5.284 8.176 228 HG3 GLU 31 1HG GLU 31 5.041 5.860 8.879 229 H LEU 32 H LEU 32 2.749 5.661 5.234 230 HA LEU 32 HA LEU 32 3.583 5.321 2.553 231 HB2 LEU 32 2HB LEU 32 1.696 4.155 3.339 232 HB3 LEU 32 1HB LEU 32 0.867 5.611 3.842 233 HG LEU 32 HG LEU 32 0.824 6.257 1.354 234 HD11 LEU 32 1HD1 LEU 32 2.576 4.808 0.537 235 HD12 LEU 32 2HD1 LEU 32 1.052 4.290 -0.183 236 HD13 LEU 32 3HD1 LEU 32 1.743 3.380 1.161 237 HD21 LEU 32 3HD2 LEU 32 -0.601 3.832 2.447 238 HD22 LEU 32 1HD2 LEU 32 -0.975 4.500 0.860 239 HD23 LEU 32 2HD2 LEU 32 -1.197 5.483 2.307 240 H GLY 33 H GLY 33 1.798 7.919 4.174 241 HA2 GLY 33 2HA GLY 33 1.230 9.538 2.013 242 HA3 GLY 33 1HA GLY 33 1.575 10.150 3.629 243 H THR 34 H THR 34 4.233 9.239 3.854 244 HA THR 34 HA THR 34 5.634 11.356 2.638 245 HB THR 34 HB THR 34 6.684 8.746 3.761 246 HG1 THR 34 1HG THR 34 5.959 11.226 4.818 247 HG21 THR 34 3HG2 THR 34 8.795 10.085 4.049 248 HG22 THR 34 1HG2 THR 34 8.073 11.338 3.041 249 HG23 THR 34 2HG2 THR 34 8.387 9.737 2.370 250 H VAL 35 H VAL 35 5.510 7.841 1.797 251 HA VAL 35 HA VAL 35 7.174 7.981 -0.433 252 HB VAL 35 HB VAL 35 4.811 6.152 0.108 253 HG11 VAL 35 1HG1 VAL 35 5.409 5.902 -2.187 254 HG12 VAL 35 2HG1 VAL 35 6.243 4.590 -1.351 255 HG13 VAL 35 3HG1 VAL 35 7.132 6.034 -1.834 256 HG21 VAL 35 3HG2 VAL 35 6.694 4.608 0.872 257 HG22 VAL 35 1HG2 VAL 35 6.352 5.971 1.936 258 HG23 VAL 35 2HG2 VAL 35 7.742 6.023 0.851 259 H MET 36 H MET 36 3.676 8.426 -0.079 260 HA MET 36 HA MET 36 3.135 8.652 -2.882 261 HB2 MET 36 2HB MET 36 1.569 9.667 -0.499 262 HB3 MET 36 1HB MET 36 0.969 9.621 -2.162 263 HG2 MET 36 2HG MET 36 1.368 7.173 -2.217 264 HG3 MET 36 1HG MET 36 1.897 7.236 -0.539 265 HE1 MET 36 3HE MET 36 -1.115 6.255 -2.629 266 HE2 MET 36 1HE MET 36 -0.723 7.921 -3.084 267 HE3 MET 36 2HE MET 36 -2.266 7.553 -2.316 268 H ARG 37 H ARG 37 3.747 11.036 -0.354 269 HA ARG 37 HA ARG 37 3.346 13.322 -2.001 270 HB2 ARG 37 2HB ARG 37 3.405 13.390 0.505 271 HB3 ARG 37 1HB ARG 37 5.134 13.085 0.444 272 HG2 ARG 37 2HG ARG 37 5.058 15.417 0.638 273 HG3 ARG 37 1HG ARG 37 5.206 15.207 -1.101 274 HD2 ARG 37 2HD ARG 37 2.803 15.497 -1.382 275 HD3 ARG 37 1HD ARG 37 2.584 15.568 0.364 276 HE ARG 37 HE ARG 37 4.431 17.546 -0.634 277 HH11 ARG 37 1HH2 ARG 37 1.117 16.716 -0.065 278 HH12 ARG 37 2HH2 ARG 37 0.586 18.360 0.058 279 HH21 ARG 37 1HH1 ARG 37 3.748 19.694 -0.468 280 HH22 ARG 37 2HH1 ARG 37 2.078 20.050 -0.172 281 H SER 38 H SER 38 6.343 11.682 -0.988 282 HA SER 38 HA SER 38 8.195 13.218 -2.318 283 HB2 SER 38 2HB SER 38 9.064 11.499 -0.966 284 HB3 SER 38 1HB SER 38 8.096 10.260 -1.760 285 HG SER 38 HG SER 38 10.094 10.069 -2.629 286 H LEU 39 H LEU 39 5.946 10.891 -3.633 287 HA LEU 39 HA LEU 39 7.167 10.842 -6.255 288 HB2 LEU 39 2HB LEU 39 4.530 9.815 -5.198 289 HB3 LEU 39 1HB LEU 39 5.085 9.570 -6.852 290 HG LEU 39 HG LEU 39 6.763 8.777 -4.456 291 HD11 LEU 39 1HD1 LEU 39 4.725 7.542 -4.205 292 HD12 LEU 39 2HD1 LEU 39 5.905 6.442 -4.917 293 HD13 LEU 39 3HD1 LEU 39 4.660 7.175 -5.929 294 HD21 LEU 39 3HD2 LEU 39 7.600 7.098 -6.271 295 HD22 LEU 39 1HD2 LEU 39 8.121 8.772 -6.403 296 HD23 LEU 39 2HD2 LEU 39 6.817 8.172 -7.424 297 H GLY 40 H GLY 40 4.942 12.859 -4.592 298 HA2 GLY 40 2HA GLY 40 3.834 14.773 -5.219 299 HA3 GLY 40 1HA GLY 40 4.846 14.776 -6.658 300 H GLN 41 H GLN 41 2.770 12.042 -5.925 301 HA GLN 41 HA GLN 41 1.157 12.705 -8.325 302 HB2 GLN 41 2HB GLN 41 2.376 10.514 -8.263 303 HB3 GLN 41 1HB GLN 41 1.379 10.048 -6.885 304 HG2 GLN 41 2HG GLN 41 -0.652 10.316 -8.228 305 HG3 GLN 41 1HG GLN 41 0.305 10.869 -9.599 306 HE21 GLN 41 1HE2 GLN 41 2.171 8.498 -8.156 307 HE22 GLN 41 2HE2 GLN 41 1.639 7.157 -9.052 308 H ASN 42 H ASN 42 0.881 11.731 -4.928 309 HA ASN 42 HA ASN 42 -1.905 12.728 -4.923 310 HB2 ASN 42 2HB ASN 42 -1.039 10.297 -3.411 311 HB3 ASN 42 1HB ASN 42 -2.674 10.879 -3.703 312 HD21 ASN 42 1HD2 ASN 42 -3.261 10.996 -6.170 313 HD22 ASN 42 2HD2 ASN 42 -2.691 9.726 -7.140 314 HA PRO 43 HA PRO 43 0.622 14.519 -1.459 315 HB2 PRO 43 2HB PRO 43 -0.317 17.096 -1.709 316 HB3 PRO 43 1HB PRO 43 1.064 16.464 -2.624 317 HG2 PRO 43 2HG PRO 43 -1.746 16.898 -3.492 318 HG3 PRO 43 1HG PRO 43 -0.240 17.066 -4.411 319 HD2 PRO 43 2HD PRO 43 -1.954 14.893 -4.592 320 HD3 PRO 43 1HD PRO 43 -0.240 14.832 -5.036 321 H THR 44 H THR 44 -2.759 14.512 -2.235 322 HA THR 44 HA THR 44 -3.822 15.642 0.104 323 HB THR 44 HB THR 44 -5.334 15.356 -1.667 324 HG1 THR 44 1HG THR 44 -5.676 13.794 0.548 325 HG21 THR 44 3HG2 THR 44 -5.770 12.970 -2.559 326 HG22 THR 44 1HG2 THR 44 -4.236 12.550 -1.797 327 HG23 THR 44 2HG2 THR 44 -4.285 13.773 -3.068 328 H GLU 45 H GLU 45 -2.155 14.664 1.569 329 HA GLU 45 HA GLU 45 -2.098 11.968 2.314 330 HB2 GLU 45 2HB GLU 45 -0.389 13.491 3.086 331 HB3 GLU 45 1HB GLU 45 -1.582 14.486 3.922 332 HG2 GLU 45 2HG GLU 45 -2.042 12.749 5.507 333 HG3 GLU 45 1HG GLU 45 -1.109 11.572 4.582 334 H ALA 46 H ALA 46 -4.610 14.140 2.498 335 HA ALA 46 HA ALA 46 -5.844 13.222 4.946 336 HB1 ALA 46 1HB ALA 46 -6.217 15.484 3.893 337 HB2 ALA 46 2HB ALA 46 -7.685 14.613 4.342 338 HB3 ALA 46 3HB ALA 46 -7.173 14.667 2.654 339 H GLU 47 H GLU 47 -6.209 12.584 1.498 340 HA GLU 47 HA GLU 47 -8.464 10.952 1.521 341 HB2 GLU 47 2HB GLU 47 -7.279 11.793 -0.516 342 HB3 GLU 47 1HB GLU 47 -5.994 10.631 -0.208 343 HG2 GLU 47 2HG GLU 47 -7.445 9.640 -1.836 344 HG3 GLU 47 1HG GLU 47 -7.757 8.807 -0.316 345 H LEU 48 H LEU 48 -5.046 10.106 1.950 346 HA LEU 48 HA LEU 48 -5.431 7.327 2.284 347 HB2 LEU 48 2HB LEU 48 -3.255 9.235 3.120 348 HB3 LEU 48 1HB LEU 48 -3.176 7.525 3.541 349 HG LEU 48 HG LEU 48 -1.956 8.035 1.446 350 HD11 LEU 48 1HD1 LEU 48 -2.578 6.087 0.402 351 HD12 LEU 48 2HD1 LEU 48 -4.297 6.438 0.481 352 HD13 LEU 48 3HD1 LEU 48 -3.452 5.850 1.912 353 HD21 LEU 48 3HD2 LEU 48 -3.632 9.899 0.830 354 HD22 LEU 48 1HD2 LEU 48 -4.649 8.607 0.190 355 HD23 LEU 48 2HD2 LEU 48 -3.046 8.886 -0.489 356 H GLN 49 H GLN 49 -4.965 9.911 4.683 357 HA GLN 49 HA GLN 49 -5.161 8.536 7.034 358 HB2 GLN 49 2HB GLN 49 -6.350 11.191 6.249 359 HB3 GLN 49 1HB GLN 49 -6.469 10.579 7.899 360 HG2 GLN 49 2HG GLN 49 -4.097 10.535 8.155 361 HG3 GLN 49 1HG GLN 49 -3.831 10.790 6.435 362 HE21 GLN 49 1HE2 GLN 49 -2.509 12.636 7.814 363 HE22 GLN 49 2HE2 GLN 49 -3.336 14.115 7.915 364 H ASP 50 H ASP 50 -7.862 9.485 4.963 365 HA ASP 50 HA ASP 50 -9.889 8.415 6.663 366 HB2 ASP 50 2HB ASP 50 -10.341 10.164 5.002 367 HB3 ASP 50 1HB ASP 50 -9.953 9.035 3.706 368 H MET 51 H MET 51 -8.097 7.147 3.865 369 HA MET 51 HA MET 51 -9.611 4.770 3.551 370 HB2 MET 51 2HB MET 51 -6.801 5.545 2.791 371 HB3 MET 51 1HB MET 51 -7.457 3.955 2.417 372 HG2 MET 51 2HG MET 51 -8.804 6.547 1.618 373 HG3 MET 51 1HG MET 51 -7.718 5.646 0.560 374 HE1 MET 51 3HE MET 51 -10.167 5.914 -0.976 375 HE2 MET 51 1HE MET 51 -10.860 6.582 0.508 376 HE3 MET 51 2HE MET 51 -11.676 5.268 -0.334 377 H ILE 52 H ILE 52 -6.597 5.432 5.335 378 HA ILE 52 HA ILE 52 -6.243 2.780 6.263 379 HB ILE 52 HB ILE 52 -5.177 5.455 7.145 380 HG12 ILE 52 2HG1 ILE 52 -3.812 2.931 6.151 381 HG13 ILE 52 1HG1 ILE 52 -4.310 4.253 5.102 382 HG21 ILE 52 1HG2 ILE 52 -4.897 2.784 8.537 383 HG22 ILE 52 2HG2 ILE 52 -5.319 4.344 9.243 384 HG23 ILE 52 3HG2 ILE 52 -3.673 4.042 8.695 385 HD11 ILE 52 3HD1 ILE 52 -1.840 4.067 6.221 386 HD12 ILE 52 1HD1 ILE 52 -2.652 5.042 7.443 387 HD13 ILE 52 2HD1 ILE 52 -2.587 5.601 5.771 388 H ASN 53 H ASN 53 -7.834 5.623 7.630 389 HA ASN 53 HA ASN 53 -8.503 4.521 10.133 390 HB2 ASN 53 2HB ASN 53 -9.674 6.734 8.456 391 HB3 ASN 53 1HB ASN 53 -10.385 6.291 10.007 392 HD21 ASN 53 1HD2 ASN 53 -8.687 8.731 9.021 393 HD22 ASN 53 2HD2 ASN 53 -7.502 8.881 10.227 394 H GLU 54 H GLU 54 -10.200 4.483 7.018 395 HA GLU 54 HA GLU 54 -12.609 3.336 7.962 396 HB2 GLU 54 2HB GLU 54 -12.367 4.460 5.757 397 HB3 GLU 54 1HB GLU 54 -11.393 3.100 5.199 398 HG2 GLU 54 2HG GLU 54 -13.272 1.567 5.587 399 HG3 GLU 54 1HG GLU 54 -14.247 2.897 6.206 400 H VAL 55 H VAL 55 -9.681 1.840 6.559 401 HA VAL 55 HA VAL 55 -10.789 -0.834 6.988 402 HB VAL 55 HB VAL 55 -8.856 -1.645 5.798 403 HG11 VAL 55 1HG1 VAL 55 -10.717 -0.503 4.526 404 HG12 VAL 55 2HG1 VAL 55 -9.168 -0.519 3.686 405 HG13 VAL 55 3HG1 VAL 55 -9.719 0.950 4.491 406 HG21 VAL 55 3HG2 VAL 55 -7.822 1.145 6.291 407 HG22 VAL 55 1HG2 VAL 55 -7.158 0.150 4.994 408 HG23 VAL 55 2HG2 VAL 55 -7.044 -0.387 6.673 409 H ASP 56 H ASP 56 -9.874 1.084 9.242 410 HA ASP 56 HA ASP 56 -7.661 -0.387 10.442 411 HB2 ASP 56 2HB ASP 56 -8.003 2.111 10.688 412 HB3 ASP 56 1HB ASP 56 -9.376 1.743 11.731 413 H ALA 57 H ALA 57 -8.116 -2.359 11.197 414 HA ALA 57 HA ALA 57 -10.721 -3.042 12.251 415 HB1 ALA 57 1HB ALA 57 -8.205 -4.714 12.246 416 HB2 ALA 57 2HB ALA 57 -9.307 -4.595 10.874 417 HB3 ALA 57 3HB ALA 57 -9.867 -5.282 12.400 418 H ASP 58 H ASP 58 -7.444 -2.593 13.595 419 HA ASP 58 HA ASP 58 -8.362 -3.256 16.282 420 HB2 ASP 58 2HB ASP 58 -5.699 -2.380 15.160 421 HB3 ASP 58 1HB ASP 58 -5.981 -2.631 16.882 422 H GLY 59 H GLY 59 -7.970 -0.431 14.327 423 HA2 GLY 59 2HA GLY 59 -8.690 1.748 14.801 424 HA3 GLY 59 1HA GLY 59 -8.998 1.253 16.465 425 H ASN 60 H ASN 60 -5.966 0.470 15.035 426 HA ASN 60 HA ASN 60 -4.532 2.067 16.983 427 HB2 ASN 60 2HB ASN 60 -3.916 -0.284 16.353 428 HB3 ASN 60 1HB ASN 60 -3.459 0.314 14.762 429 HD21 ASN 60 1HD2 ASN 60 -1.373 -0.814 15.971 430 HD22 ASN 60 2HD2 ASN 60 -0.325 0.322 16.673 431 H GLY 61 H GLY 61 -5.559 2.363 13.737 432 HA2 GLY 61 2HA GLY 61 -5.451 4.277 12.402 433 HA3 GLY 61 1HA GLY 61 -4.227 4.940 13.479 434 H THR 62 H THR 62 -3.557 1.740 12.662 435 HA THR 62 HA THR 62 -1.838 2.496 10.368 436 HB THR 62 HB THR 62 -0.043 1.094 11.339 437 HG1 THR 62 1HG THR 62 -0.759 -0.213 12.807 438 HG21 THR 62 3HG2 THR 62 -1.031 3.334 13.126 439 HG22 THR 62 1HG2 THR 62 -0.024 3.522 11.691 440 HG23 THR 62 2HG2 THR 62 0.612 2.691 13.110 441 H ILE 63 H ILE 63 -1.077 0.623 9.120 442 HA ILE 63 HA ILE 63 -3.119 -1.522 9.065 443 HB ILE 63 HB ILE 63 -1.175 -0.855 6.864 444 HG12 ILE 63 2HG1 ILE 63 -2.423 1.180 7.304 445 HG13 ILE 63 1HG1 ILE 63 -3.073 0.429 5.848 446 HG21 ILE 63 1HG2 ILE 63 -2.796 -2.013 5.467 447 HG22 ILE 63 2HG2 ILE 63 -3.859 -2.239 6.857 448 HG23 ILE 63 3HG2 ILE 63 -2.297 -3.055 6.800 449 HD11 ILE 63 3HD1 ILE 63 -4.259 0.528 8.608 450 HD12 ILE 63 1HD1 ILE 63 -4.751 -0.728 7.476 451 HD13 ILE 63 2HD1 ILE 63 -5.000 0.965 7.071 452 H ASP 64 H ASP 64 -2.454 -3.258 10.139 453 HA ASP 64 HA ASP 64 0.288 -3.885 10.616 454 HB2 ASP 64 2HB ASP 64 -2.266 -5.434 11.051 455 HB3 ASP 64 1HB ASP 64 -0.681 -6.010 11.558 456 H PHE 65 H PHE 65 0.535 -6.549 10.327 457 HA PHE 65 HA PHE 65 1.330 -6.868 7.630 458 HB2 PHE 65 2HB PHE 65 1.348 -8.457 10.131 459 HB3 PHE 65 1HB PHE 65 1.327 -9.430 8.663 460 HD1 PHE 65 2HD PHE 65 3.061 -8.859 6.853 461 HD2 PHE 65 1HD PHE 65 3.346 -7.494 10.904 462 HE1 PHE 65 2HE PHE 65 5.483 -8.453 6.536 463 HE2 PHE 65 1HE PHE 65 5.772 -7.086 10.598 464 HZ PHE 65 HZ PHE 65 6.841 -7.566 8.413 465 HA PRO 66 HA PRO 66 -2.203 -10.143 7.166 466 HB2 PRO 66 2HB PRO 66 -4.284 -9.878 9.031 467 HB3 PRO 66 1HB PRO 66 -2.980 -11.079 9.121 468 HG2 PRO 66 2HG PRO 66 -3.226 -8.443 10.501 469 HG3 PRO 66 1HG PRO 66 -2.613 -9.990 11.120 470 HD2 PRO 66 2HD PRO 66 -0.926 -8.034 10.401 471 HD3 PRO 66 1HD PRO 66 -0.535 -9.737 10.079 472 H GLU 67 H GLU 67 -3.489 -7.156 8.722 473 HA GLU 67 HA GLU 67 -5.766 -6.741 7.369 474 HB2 GLU 67 2HB GLU 67 -3.564 -4.730 7.837 475 HB3 GLU 67 1HB GLU 67 -5.222 -4.303 7.413 476 HG2 GLU 67 2HG GLU 67 -4.477 -5.989 9.817 477 HG3 GLU 67 1HG GLU 67 -4.750 -4.249 9.888 478 H PHE 68 H PHE 68 -2.613 -5.740 6.028 479 HA PHE 68 HA PHE 68 -3.601 -4.926 3.516 480 HB2 PHE 68 2HB PHE 68 -1.370 -4.352 4.541 481 HB3 PHE 68 1HB PHE 68 -0.837 -5.973 4.098 482 HD1 PHE 68 2HD PHE 68 -1.041 -6.690 1.656 483 HD2 PHE 68 1HD PHE 68 -1.410 -2.615 2.941 484 HE1 PHE 68 2HE PHE 68 -0.633 -5.933 -0.667 485 HE2 PHE 68 1HE PHE 68 -0.989 -1.844 0.619 486 HZ PHE 68 HZ PHE 68 -0.599 -3.504 -1.184 487 H LEU 69 H LEU 69 -1.630 -7.791 4.260 488 HA LEU 69 HA LEU 69 -2.046 -9.094 1.822 489 HB2 LEU 69 2HB LEU 69 -0.249 -9.829 3.124 490 HB3 LEU 69 1HB LEU 69 -1.252 -10.055 4.562 491 HG LEU 69 HG LEU 69 -2.007 -11.684 2.155 492 HD11 LEU 69 1HD1 LEU 69 -0.267 -13.413 2.835 493 HD12 LEU 69 2HD1 LEU 69 0.545 -12.114 3.710 494 HD13 LEU 69 3HD1 LEU 69 0.336 -12.009 1.959 495 HD21 LEU 69 3HD2 LEU 69 -2.986 -11.715 4.608 496 HD22 LEU 69 1HD2 LEU 69 -1.576 -12.707 4.965 497 HD23 LEU 69 2HD2 LEU 69 -2.744 -13.236 3.757 498 H THR 70 H THR 70 -3.862 -9.163 4.785 499 HA THR 70 HA THR 70 -5.548 -11.294 4.507 500 HB THR 70 HB THR 70 -6.166 -8.535 5.560 501 HG1 THR 70 1HG THR 70 -6.115 -10.161 7.498 502 HG21 THR 70 3HG2 THR 70 -8.018 -9.795 6.803 503 HG22 THR 70 1HG2 THR 70 -7.784 -11.081 5.619 504 HG23 THR 70 2HG2 THR 70 -8.298 -9.479 5.091 505 H MET 71 H MET 71 -6.609 -7.970 3.607 506 HA MET 71 HA MET 71 -8.825 -8.794 2.172 507 HB2 MET 71 2HB MET 71 -8.421 -6.664 0.760 508 HB3 MET 71 1HB MET 71 -8.669 -6.483 2.492 509 HG2 MET 71 2HG MET 71 -6.143 -6.499 2.747 510 HG3 MET 71 1HG MET 71 -6.030 -6.395 1.004 511 HE1 MET 71 3HE MET 71 -7.219 -5.012 4.231 512 HE2 MET 71 1HE MET 71 -7.192 -3.253 4.041 513 HE3 MET 71 2HE MET 71 -5.688 -4.161 4.024 514 H MET 72 H MET 72 -5.898 -7.741 0.441 515 HA MET 72 HA MET 72 -6.462 -8.720 -1.992 516 HB2 MET 72 2HB MET 72 -4.147 -8.630 -2.553 517 HB3 MET 72 1HB MET 72 -4.375 -7.432 -1.284 518 HG2 MET 72 2HG MET 72 -3.697 -9.127 0.368 519 HG3 MET 72 1HG MET 72 -3.290 -10.227 -0.938 520 HE1 MET 72 3HE MET 72 -1.076 -10.348 -2.022 521 HE2 MET 72 1HE MET 72 -0.273 -8.894 -2.630 522 HE3 MET 72 2HE MET 72 -1.946 -9.226 -3.064 523 H ALA 73 H ALA 73 -5.749 -10.507 0.805 524 HA ALA 73 HA ALA 73 -5.795 -13.063 -0.697 525 HB1 ALA 73 1HB ALA 73 -4.266 -13.985 0.799 526 HB2 ALA 73 2HB ALA 73 -4.594 -12.784 2.047 527 HB3 ALA 73 3HB ALA 73 -3.659 -12.343 0.619 528 H ARG 74 H ARG 74 -8.217 -12.689 -0.446 529 HA ARG 74 HA ARG 74 -9.175 -13.461 2.242 530 HB2 ARG 74 2HB ARG 74 -10.386 -11.932 -0.044 531 HB3 ARG 74 1HB ARG 74 -11.442 -12.745 1.111 532 HG2 ARG 74 2HG ARG 74 -9.209 -11.023 2.143 533 HG3 ARG 74 1HG ARG 74 -10.662 -10.241 1.541 534 HD2 ARG 74 2HD ARG 74 -10.550 -12.357 3.703 535 HD3 ARG 74 1HD ARG 74 -10.802 -10.638 3.964 536 HE ARG 74 HE ARG 74 -12.755 -12.541 2.988 537 HH11 ARG 74 1HH2 ARG 74 -11.743 -9.234 3.189 538 HH12 ARG 74 2HH2 ARG 74 -13.329 -8.586 2.933 539 HH21 ARG 74 1HH1 ARG 74 -14.841 -11.703 2.651 540 HH22 ARG 74 2HH1 ARG 74 -15.087 -9.989 2.629 541 H LYS 75 H LYS 75 -8.210 -14.945 -0.434 542 HA LYS 75 HA LYS 75 -10.356 -16.610 -1.213 543 HB2 LYS 75 2HB LYS 75 -7.379 -17.133 -1.235 544 HB3 LYS 75 1HB LYS 75 -8.578 -18.073 -2.118 545 HG2 LYS 75 2HG LYS 75 -8.147 -15.093 -2.485 546 HG3 LYS 75 1HG LYS 75 -7.428 -16.327 -3.518 547 HD2 LYS 75 2HD LYS 75 -9.874 -17.166 -3.842 548 HD3 LYS 75 1HD LYS 75 -10.338 -15.584 -3.216 549 HE2 LYS 75 2HE LYS 75 -9.046 -14.473 -4.973 550 HE3 LYS 75 1HE LYS 75 -8.523 -16.039 -5.596 551 HZ1 LYS 75 3HZ LYS 75 -10.336 -15.546 -6.908 552 HZ2 LYS 75 1HZ LYS 75 -11.207 -14.830 -5.640 553 HZ3 LYS 75 2HZ LYS 75 -11.033 -16.519 -5.703 554 H MET 76 H MET 76 -7.846 -17.001 1.260 555 HA MET 76 HA MET 76 -8.609 -19.635 2.048 556 HB2 MET 76 2HB MET 76 -7.029 -17.428 3.358 557 HB3 MET 76 1HB MET 76 -7.348 -18.949 4.192 558 HG2 MET 76 2HG MET 76 -6.268 -20.201 2.395 559 HG3 MET 76 1HG MET 76 -6.029 -18.717 1.471 560 HE1 MET 76 3HE MET 76 -3.834 -20.038 1.400 561 HE2 MET 76 1HE MET 76 -3.538 -20.959 2.882 562 HE3 MET 76 2HE MET 76 -2.472 -19.628 2.439 563 H LYS 77 H LYS 77 -9.317 -16.412 3.328 564 HA LYS 77 HA LYS 77 -11.813 -17.410 4.532 565 HB2 LYS 77 2HB LYS 77 -9.639 -15.926 6.037 566 HB3 LYS 77 1HB LYS 77 -11.294 -16.089 6.622 567 HG2 LYS 77 2HG LYS 77 -11.086 -18.539 6.590 568 HG3 LYS 77 1HG LYS 77 -9.458 -18.405 5.937 569 HD2 LYS 77 2HD LYS 77 -9.118 -18.744 8.252 570 HD3 LYS 77 1HD LYS 77 -8.908 -17.008 8.032 571 HE2 LYS 77 2HE LYS 77 -11.120 -16.555 8.878 572 HE3 LYS 77 1HE LYS 77 -11.544 -18.267 8.853 573 HZ1 LYS 77 3HZ LYS 77 -9.181 -17.579 10.385 574 HZ2 LYS 77 1HZ LYS 77 -10.440 -18.655 10.751 575 HZ3 LYS 77 2HZ LYS 77 -10.648 -16.989 11.007 576 H1 GLY 45 1HT GLY 45 -18.528 4.114 -6.481 577 H2 GLY 45 2HT GLY 45 -17.388 2.865 -6.637 578 H3 GLY 45 3HT GLY 45 -16.893 4.414 -6.145 579 HA2 GLY 45 2HA GLY 45 -18.605 3.994 -4.226 580 HA3 GLY 45 1HA GLY 45 -18.242 2.312 -4.618 581 H THR 46 H THR 46 -16.079 1.542 -4.379 582 HA THR 46 HA THR 46 -14.588 2.926 -2.297 583 HB THR 46 HB THR 46 -13.185 0.928 -2.262 584 HG1 THR 46 1HG THR 46 -14.616 0.375 -4.620 585 HG21 THR 46 3HG2 THR 46 -14.786 -0.559 -1.402 586 HG22 THR 46 1HG2 THR 46 -16.009 -0.069 -2.574 587 HG23 THR 46 2HG2 THR 46 -15.576 1.010 -1.247 588 H GLY 47 H GLY 47 -12.187 3.109 -2.509 589 HA2 GLY 47 2HA GLY 47 -11.165 3.514 -5.230 590 HA3 GLY 47 1HA GLY 47 -11.225 4.926 -4.177 591 H ALA 48 H ALA 48 -10.821 2.413 -2.161 592 HA ALA 48 HA ALA 48 -8.219 3.067 -1.373 593 HB1 ALA 48 1HB ALA 48 -8.368 1.132 0.075 594 HB2 ALA 48 2HB ALA 48 -9.672 0.458 -0.902 595 HB3 ALA 48 3HB ALA 48 -9.939 1.935 0.027 596 H ALA 49 H ALA 49 -9.338 0.265 -3.296 597 HA ALA 49 HA ALA 49 -6.844 -0.984 -3.589 598 HB1 ALA 49 1HB ALA 49 -7.850 -2.132 -5.511 599 HB2 ALA 49 2HB ALA 49 -9.168 -0.960 -5.528 600 HB3 ALA 49 3HB ALA 49 -8.984 -2.061 -4.163 601 H LEU 50 H LEU 50 -8.407 1.514 -5.551 602 HA LEU 50 HA LEU 50 -6.525 1.573 -7.652 603 HB2 LEU 50 2HB LEU 50 -8.884 2.719 -7.360 604 HB3 LEU 50 1HB LEU 50 -7.943 4.058 -6.715 605 HG LEU 50 HG LEU 50 -7.533 2.768 -9.431 606 HD11 LEU 50 1HD1 LEU 50 -8.646 5.503 -8.736 607 HD12 LEU 50 2HD1 LEU 50 -9.634 4.111 -9.179 608 HD13 LEU 50 3HD1 LEU 50 -8.503 4.796 -10.346 609 HD21 LEU 50 3HD2 LEU 50 -5.426 3.622 -8.908 610 HD22 LEU 50 1HD2 LEU 50 -6.077 4.923 -7.910 611 HD23 LEU 50 2HD2 LEU 50 -6.168 5.022 -9.669 612 H SER 51 H SER 51 -6.743 3.381 -4.607 613 HA SER 51 HA SER 51 -4.524 5.068 -4.974 614 HB2 SER 51 2HB SER 51 -5.994 5.579 -3.188 615 HB3 SER 51 1HB SER 51 -5.885 3.949 -2.528 616 HG SER 51 HG SER 51 -4.396 6.060 -1.953 617 H TRP 52 H TRP 52 -4.802 1.881 -3.455 618 HA TRP 52 HA TRP 52 -2.102 1.644 -2.687 619 HB2 TRP 52 2HB TRP 52 -4.291 -0.362 -3.209 620 HB3 TRP 52 1HB TRP 52 -2.674 -0.868 -2.724 621 HD1 TRP 52 HD TRP 52 -5.877 -0.131 -1.251 622 HE1 TRP 52 1HE TRP 52 -5.682 0.509 1.237 623 HE3 TRP 52 3HE TRP 52 -0.850 0.781 -0.955 624 HZ2 TRP 52 2HZ TRP 52 -3.674 1.291 3.111 625 HZ3 TRP 52 3HZ TRP 52 0.172 1.466 1.189 626 HH2 TRP 52 HH TRP 52 -1.219 1.723 3.221 627 H GLN 53 H GLN 53 -3.829 0.534 -5.594 628 HA GLN 53 HA GLN 53 -1.698 -0.810 -6.820 629 HB2 GLN 53 2HB GLN 53 -4.052 -0.951 -7.570 630 HB3 GLN 53 1HB GLN 53 -3.950 0.708 -8.159 631 HG2 GLN 53 2HG GLN 53 -2.199 0.090 -9.735 632 HG3 GLN 53 1HG GLN 53 -2.150 -1.548 -9.085 633 HE21 GLN 53 1HE2 GLN 53 -2.706 -1.093 -11.846 634 HE22 GLN 53 2HE2 GLN 53 -4.321 -1.519 -12.149 635 H ALA 54 H ALA 54 -2.672 2.613 -7.054 636 HA ALA 54 HA ALA 54 -0.759 3.345 -9.006 637 HB1 ALA 54 1HB ALA 54 -2.107 5.022 -6.880 638 HB2 ALA 54 2HB ALA 54 -2.685 4.752 -8.524 639 HB3 ALA 54 3HB ALA 54 -1.200 5.663 -8.251 640 H ALA 55 H ALA 55 -0.650 3.386 -5.456 641 HA ALA 55 HA ALA 55 1.876 4.666 -5.239 642 HB1 ALA 55 1HB ALA 55 0.261 4.488 -3.375 643 HB2 ALA 55 2HB ALA 55 1.852 3.870 -2.929 644 HB3 ALA 55 3HB ALA 55 0.544 2.749 -3.312 645 H ILE 56 H ILE 56 0.908 1.264 -5.385 646 HA ILE 56 HA ILE 56 3.467 0.143 -4.923 647 HB ILE 56 HB ILE 56 1.017 -0.921 -6.346 648 HG12 ILE 56 2HG1 ILE 56 2.187 -1.663 -3.658 649 HG13 ILE 56 1HG1 ILE 56 0.980 -0.396 -3.842 650 HG21 ILE 56 1HG2 ILE 56 2.825 -2.199 -7.229 651 HG22 ILE 56 2HG2 ILE 56 2.176 -3.168 -5.905 652 HG23 ILE 56 3HG2 ILE 56 3.656 -2.237 -5.674 653 HD11 ILE 56 3HD1 ILE 56 -0.065 -2.572 -3.278 654 HD12 ILE 56 1HD1 ILE 56 0.640 -3.275 -4.733 655 HD13 ILE 56 2HD1 ILE 56 -0.574 -2.002 -4.868 656 H ASP 57 H ASP 57 1.735 0.997 -7.898 657 HA ASP 57 HA ASP 57 3.618 -0.002 -9.735 658 HB2 ASP 57 2HB ASP 57 1.579 2.217 -9.904 659 HB3 ASP 57 1HB ASP 57 2.559 1.721 -11.282 660 H ALA 58 H ALA 58 3.276 3.222 -8.267 661 HA ALA 58 HA ALA 58 5.465 4.388 -9.658 662 HB1 ALA 58 1HB ALA 58 5.308 6.162 -7.941 663 HB2 ALA 58 2HB ALA 58 4.188 5.154 -7.022 664 HB3 ALA 58 3HB ALA 58 3.729 5.756 -8.616 665 H ALA 59 H ALA 59 5.161 2.792 -6.504 666 HA ALA 59 HA ALA 59 7.812 3.280 -5.622 667 HB1 ALA 59 1HB ALA 59 5.782 2.435 -4.271 668 HB2 ALA 59 2HB ALA 59 7.356 1.733 -3.898 669 HB3 ALA 59 3HB ALA 59 6.202 0.837 -4.886 670 H ARG 60 H ARG 60 6.321 0.693 -7.498 671 HA ARG 60 HA ARG 60 8.502 -1.075 -7.594 672 HB2 ARG 60 2HB ARG 60 6.085 -1.474 -8.322 673 HB3 ARG 60 1HB ARG 60 6.512 -0.651 -9.819 674 HG2 ARG 60 2HG ARG 60 6.998 -2.836 -10.442 675 HG3 ARG 60 1HG ARG 60 8.564 -2.374 -9.780 676 HD2 ARG 60 2HD ARG 60 7.888 -4.533 -8.865 677 HD3 ARG 60 1HD ARG 60 7.891 -3.328 -7.587 678 HE ARG 60 HE ARG 60 5.576 -3.531 -7.440 679 HH11 ARG 60 1HH2 ARG 60 6.786 -5.034 -10.328 680 HH12 ARG 60 2HH2 ARG 60 5.302 -5.859 -10.680 681 HH21 ARG 60 1HH1 ARG 60 3.634 -4.601 -7.905 682 HH22 ARG 60 2HH1 ARG 60 3.520 -5.617 -9.304 683 H GLN 61 H GLN 61 7.548 1.593 -9.752 684 HA GLN 61 HA GLN 61 9.607 1.225 -11.655 685 HB2 GLN 61 2HB GLN 61 7.637 2.633 -12.092 686 HB3 GLN 61 1HB GLN 61 8.170 3.773 -10.857 687 HG2 GLN 61 2HG GLN 61 10.182 4.281 -12.119 688 HG3 GLN 61 1HG GLN 61 9.802 3.029 -13.299 689 HE21 GLN 61 1HE2 GLN 61 6.822 4.215 -12.640 690 HE22 GLN 61 2HE2 GLN 61 6.733 5.467 -13.783 691 H ALA 62 H ALA 62 9.415 3.125 -8.676 692 HA ALA 62 HA ALA 62 11.887 4.460 -8.906 693 HB1 ALA 62 1HB ALA 62 10.541 3.563 -6.348 694 HB2 ALA 62 2HB ALA 62 10.064 4.994 -7.261 695 HB3 ALA 62 3HB ALA 62 11.671 4.902 -6.543 696 H LYS 63 H LYS 63 11.017 1.346 -7.438 697 HA LYS 63 HA LYS 63 13.582 0.721 -6.419 698 HB2 LYS 63 2HB LYS 63 11.493 -0.434 -5.732 699 HB3 LYS 63 1HB LYS 63 11.404 -1.179 -7.329 700 HG2 LYS 63 2HG LYS 63 13.571 -2.279 -6.958 701 HG3 LYS 63 1HG LYS 63 13.709 -1.501 -5.382 702 HD2 LYS 63 2HD LYS 63 11.654 -2.646 -4.634 703 HD3 LYS 63 1HD LYS 63 11.523 -3.435 -6.206 704 HE2 LYS 63 2HE LYS 63 13.708 -4.523 -5.846 705 HE3 LYS 63 1HE LYS 63 13.847 -3.729 -4.277 706 HZ1 LYS 63 3HZ LYS 63 12.912 -6.118 -4.423 707 HZ2 LYS 63 1HZ LYS 63 11.473 -5.353 -4.890 708 HZ3 LYS 63 2HZ LYS 63 12.172 -4.996 -3.383 709 H LEU 64 H LEU 64 11.977 -0.079 -9.481 710 HA LEU 64 HA LEU 64 14.044 -1.670 -10.554 711 HB2 LEU 64 2HB LEU 64 11.860 -0.040 -11.861 712 HB3 LEU 64 1HB LEU 64 12.933 -1.108 -12.762 713 HG LEU 64 HG LEU 64 11.313 -2.057 -10.383 714 HD11 LEU 64 1HD1 LEU 64 10.554 -2.236 -13.315 715 HD12 LEU 64 2HD1 LEU 64 9.802 -1.155 -12.140 716 HD13 LEU 64 3HD1 LEU 64 9.646 -2.902 -11.957 717 HD21 LEU 64 3HD2 LEU 64 11.603 -4.267 -11.757 718 HD22 LEU 64 1HD2 LEU 64 12.983 -3.670 -10.843 719 HD23 LEU 64 2HD2 LEU 64 12.897 -3.402 -12.582 720 H MET 65 H MET 65 13.407 1.808 -10.746 721 HA MET 65 HA MET 65 15.458 2.401 -12.610 722 HB2 MET 65 2HB MET 65 13.589 3.935 -12.107 723 HB3 MET 65 1HB MET 65 14.246 4.190 -10.489 724 HG2 MET 65 2HG MET 65 16.316 5.105 -11.450 725 HG3 MET 65 1HG MET 65 15.708 4.800 -13.077 726 HE1 MET 65 3HE MET 65 16.484 7.052 -13.441 727 HE2 MET 65 1HE MET 65 16.619 7.894 -11.891 728 HE3 MET 65 2HE MET 65 15.563 8.527 -13.153 729 H GLY 66 H GLY 66 15.410 2.196 -9.077 730 HA2 GLY 66 2HA GLY 66 17.243 1.684 -7.704 731 HA3 GLY 66 1HA GLY 66 18.325 2.013 -9.051 732 H SER 67 H SER 67 15.976 4.448 -8.590 733 HA SER 67 HA SER 67 17.933 6.413 -7.956 734 HB2 SER 67 2HB SER 67 15.890 6.978 -9.189 735 HB3 SER 67 1HB SER 67 14.912 6.559 -7.785 736 HG SER 67 HG SER 67 16.550 8.763 -8.258 737 H ALA 68 H ALA 68 18.383 7.474 -6.050 738 HA ALA 68 HA ALA 68 16.932 6.861 -3.611 739 HB1 ALA 68 1HB ALA 68 18.425 4.928 -3.732 740 HB2 ALA 68 2HB ALA 68 18.930 6.001 -2.427 741 HB3 ALA 68 3HB ALA 68 19.814 5.993 -3.954 Start of MODEL 9 1 H1 ALA 1 1HT ALA 1 -11.076 -25.195 -6.661 2 H2 ALA 1 2HT ALA 1 -9.751 -25.385 -5.619 3 H3 ALA 1 3HT ALA 1 -9.794 -26.213 -7.101 4 HA ALA 1 HA ALA 1 -8.590 -24.554 -7.923 5 HB1 ALA 1 2HB ALA 1 -9.847 -22.621 -8.657 6 HB2 ALA 1 3HB ALA 1 -11.052 -22.864 -7.392 7 HB3 ALA 1 1HB ALA 1 -10.928 -24.013 -8.723 8 H ASP 2 H ASP 2 -6.940 -24.088 -6.632 9 HA ASP 2 HA ASP 2 -7.309 -22.655 -4.133 10 HB2 ASP 2 2HB ASP 2 -4.950 -23.897 -5.535 11 HB3 ASP 2 1HB ASP 2 -4.802 -23.027 -4.008 12 H GLN 3 H GLN 3 -7.802 -20.545 -4.504 13 HA GLN 3 HA GLN 3 -6.664 -18.925 -6.534 14 HB2 GLN 3 2HB GLN 3 -8.017 -18.179 -3.926 15 HB3 GLN 3 1HB GLN 3 -7.634 -17.041 -5.217 16 HG2 GLN 3 2HG GLN 3 -9.880 -17.627 -5.646 17 HG3 GLN 3 1HG GLN 3 -8.969 -18.645 -6.761 18 HE21 GLN 3 1HE2 GLN 3 -10.814 -20.196 -6.712 19 HE22 GLN 3 2HE2 GLN 3 -11.006 -21.237 -5.386 20 H LEU 4 H LEU 4 -5.497 -16.805 -5.872 21 HA LEU 4 HA LEU 4 -3.636 -15.752 -5.049 22 HB2 LEU 4 2HB LEU 4 -4.744 -16.855 -2.824 23 HB3 LEU 4 1HB LEU 4 -3.207 -17.709 -2.826 24 HG LEU 4 HG LEU 4 -2.200 -15.282 -3.238 25 HD11 LEU 4 1HD1 LEU 4 -4.370 -14.167 -3.512 26 HD12 LEU 4 2HD1 LEU 4 -3.537 -13.548 -2.087 27 HD13 LEU 4 3HD1 LEU 4 -4.855 -14.701 -1.903 28 HD21 LEU 4 3HD2 LEU 4 -1.776 -16.674 -1.249 29 HD22 LEU 4 1HD2 LEU 4 -3.311 -16.149 -0.556 30 HD23 LEU 4 2HD2 LEU 4 -2.008 -14.985 -0.801 31 H THR 5 H THR 5 -1.245 -16.437 -4.176 32 HA THR 5 HA THR 5 -0.187 -18.905 -5.079 33 HB THR 5 HB THR 5 -0.705 -18.057 -7.308 34 HG1 THR 5 1HG THR 5 1.826 -17.574 -7.682 35 HG21 THR 5 3HG2 THR 5 0.435 -15.970 -8.092 36 HG22 THR 5 1HG2 THR 5 0.915 -15.659 -6.429 37 HG23 THR 5 2HG2 THR 5 -0.793 -15.678 -6.860 38 H GLU 6 H GLU 6 2.299 -18.739 -5.281 39 HA GLU 6 HA GLU 6 3.361 -17.671 -2.938 40 HB2 GLU 6 2HB GLU 6 4.368 -19.464 -4.434 41 HB3 GLU 6 1HB GLU 6 4.926 -18.162 -5.479 42 HG2 GLU 6 2HG GLU 6 6.751 -18.663 -4.014 43 HG3 GLU 6 1HG GLU 6 6.049 -17.150 -3.440 44 H GLU 7 H GLU 7 3.643 -16.408 -6.246 45 HA GLU 7 HA GLU 7 5.105 -14.138 -5.879 46 HB2 GLU 7 2HB GLU 7 4.315 -14.761 -8.077 47 HB3 GLU 7 1HB GLU 7 2.635 -14.562 -7.590 48 HG2 GLU 7 2HG GLU 7 2.930 -12.170 -7.335 49 HG3 GLU 7 1HG GLU 7 4.661 -12.314 -7.637 50 H GLN 8 H GLN 8 1.535 -14.212 -5.667 51 HA GLN 8 HA GLN 8 0.965 -11.693 -4.933 52 HB2 GLN 8 2HB GLN 8 -0.491 -13.927 -5.087 53 HB3 GLN 8 1HB GLN 8 -0.356 -13.867 -3.331 54 HG2 GLN 8 2HG GLN 8 -2.352 -12.664 -3.874 55 HG3 GLN 8 1HG GLN 8 -1.142 -11.455 -3.463 56 HE21 GLN 8 1HE2 GLN 8 -1.608 -9.713 -4.828 57 HE22 GLN 8 2HE2 GLN 8 -1.792 -9.833 -6.509 58 H ILE 9 H ILE 9 1.591 -14.232 -2.414 59 HA ILE 9 HA ILE 9 1.537 -12.443 -0.279 60 HB ILE 9 HB ILE 9 2.980 -14.208 0.890 61 HG12 ILE 9 2HG1 ILE 9 2.522 -15.625 -1.743 62 HG13 ILE 9 1HG1 ILE 9 4.086 -15.045 -1.159 63 HG21 ILE 9 1HG2 ILE 9 0.486 -15.171 -0.543 64 HG22 ILE 9 2HG2 ILE 9 0.479 -14.157 0.902 65 HG23 ILE 9 3HG2 ILE 9 1.129 -15.792 0.976 66 HD11 ILE 9 3HD1 ILE 9 3.878 -16.498 0.812 67 HD12 ILE 9 1HD1 ILE 9 3.850 -17.407 -0.692 68 HD13 ILE 9 2HD1 ILE 9 2.353 -17.122 0.180 69 H ALA 10 H ALA 10 4.362 -13.575 -2.116 70 HA ALA 10 HA ALA 10 6.290 -12.102 -0.708 71 HB1 ALA 10 1HB ALA 10 7.713 -12.465 -2.655 72 HB2 ALA 10 2HB ALA 10 6.306 -12.849 -3.647 73 HB3 ALA 10 3HB ALA 10 6.781 -13.931 -2.335 74 H GLU 11 H GLU 11 4.252 -11.291 -3.469 75 HA GLU 11 HA GLU 11 5.347 -8.838 -4.210 76 HB2 GLU 11 2HB GLU 11 3.606 -10.101 -5.478 77 HB3 GLU 11 1HB GLU 11 2.423 -9.604 -4.274 78 HG2 GLU 11 2HG GLU 11 2.873 -7.243 -4.770 79 HG3 GLU 11 1HG GLU 11 4.073 -7.721 -5.969 80 H PHE 12 H PHE 12 2.747 -9.523 -1.844 81 HA PHE 12 HA PHE 12 2.290 -6.826 -1.166 82 HB2 PHE 12 2HB PHE 12 0.593 -7.812 -0.030 83 HB3 PHE 12 1HB PHE 12 1.274 -9.385 -0.428 84 HD1 PHE 12 2HD PHE 12 1.766 -6.537 1.972 85 HD2 PHE 12 1HD PHE 12 1.945 -10.776 1.328 86 HE1 PHE 12 2HE PHE 12 2.326 -6.873 4.355 87 HE2 PHE 12 1HE PHE 12 2.515 -11.112 3.707 88 HZ PHE 12 HZ PHE 12 2.707 -9.162 5.224 89 H LYS 13 H LYS 13 4.453 -9.272 0.210 90 HA LYS 13 HA LYS 13 5.385 -7.841 2.405 91 HB2 LYS 13 2HB LYS 13 5.890 -10.237 1.940 92 HB3 LYS 13 1HB LYS 13 6.977 -9.733 0.649 93 HG2 LYS 13 2HG LYS 13 8.471 -9.988 2.432 94 HG3 LYS 13 1HG LYS 13 8.107 -8.276 2.548 95 HD2 LYS 13 2HD LYS 13 7.746 -8.903 4.747 96 HD3 LYS 13 1HD LYS 13 6.126 -9.111 4.117 97 HE2 LYS 13 2HE LYS 13 6.465 -11.145 5.204 98 HE3 LYS 13 1HE LYS 13 6.965 -11.556 3.563 99 HZ1 LYS 13 3HZ LYS 13 8.680 -12.294 4.955 100 HZ2 LYS 13 1HZ LYS 13 8.667 -10.874 5.881 101 HZ3 LYS 13 2HZ LYS 13 9.254 -10.842 4.289 102 H GLU 14 H GLU 14 6.543 -7.866 -0.944 103 HA GLU 14 HA GLU 14 8.752 -6.164 -0.611 104 HB2 GLU 14 2HB GLU 14 6.923 -6.619 -2.977 105 HB3 GLU 14 1HB GLU 14 8.407 -5.675 -3.068 106 HG2 GLU 14 2HG GLU 14 9.723 -7.627 -2.359 107 HG3 GLU 14 1HG GLU 14 8.255 -8.578 -2.186 108 H ALA 15 H ALA 15 5.453 -5.374 -1.722 109 HA ALA 15 HA ALA 15 5.791 -2.586 -1.793 110 HB1 ALA 15 1HB ALA 15 3.835 -4.202 -2.597 111 HB2 ALA 15 2HB ALA 15 3.530 -2.502 -2.255 112 HB3 ALA 15 3HB ALA 15 3.119 -3.726 -1.059 113 H PHE 16 H PHE 16 4.754 -4.743 0.818 114 HA PHE 16 HA PHE 16 4.052 -2.786 2.691 115 HB2 PHE 16 2HB PHE 16 3.428 -4.796 3.550 116 HB3 PHE 16 1HB PHE 16 4.707 -5.658 2.727 117 HD1 PHE 16 2HD PHE 16 4.107 -3.339 5.605 118 HD2 PHE 16 1HD PHE 16 6.573 -6.426 3.918 119 HE1 PHE 16 2HE PHE 16 5.408 -3.462 7.715 120 HE2 PHE 16 1HE PHE 16 7.874 -6.545 6.023 121 HZ PHE 16 HZ PHE 16 7.289 -5.063 7.909 122 H SER 17 H SER 17 7.163 -4.443 2.211 123 HA SER 17 HA SER 17 8.617 -3.165 4.215 124 HB2 SER 17 2HB SER 17 9.450 -5.136 2.988 125 HB3 SER 17 1HB SER 17 9.636 -4.147 1.538 126 HG SER 17 HG SER 17 11.595 -4.290 2.703 127 H LEU 18 H LEU 18 7.862 -2.098 0.940 128 HA LEU 18 HA LEU 18 9.690 0.099 0.872 129 HB2 LEU 18 2HB LEU 18 7.125 -0.438 -0.627 130 HB3 LEU 18 1HB LEU 18 8.177 0.932 -0.967 131 HG LEU 18 HG LEU 18 9.066 -1.969 -1.038 132 HD11 LEU 18 1HD1 LEU 18 8.608 -0.128 -3.391 133 HD12 LEU 18 2HD1 LEU 18 7.378 -1.248 -2.817 134 HD13 LEU 18 3HD1 LEU 18 8.915 -1.862 -3.421 135 HD21 LEU 18 3HD2 LEU 18 10.918 -0.685 -2.485 136 HD22 LEU 18 1HD2 LEU 18 11.049 -0.801 -0.736 137 HD23 LEU 18 2HD2 LEU 18 10.431 0.674 -1.478 138 H PHE 19 H PHE 19 6.285 -0.137 1.814 139 HA PHE 19 HA PHE 19 5.997 2.663 2.297 140 HB2 PHE 19 2HB PHE 19 4.365 0.342 3.319 141 HB3 PHE 19 1HB PHE 19 3.882 2.033 3.397 142 HD1 PHE 19 2HD PHE 19 4.241 3.297 0.978 143 HD2 PHE 19 1HD PHE 19 3.422 -0.879 1.566 144 HE1 PHE 19 2HE PHE 19 3.356 3.140 -1.323 145 HE2 PHE 19 1HE PHE 19 2.535 -1.031 -0.721 146 HZ PHE 19 HZ PHE 19 2.497 0.979 -2.184 147 H ASP 20 H ASP 20 6.354 -0.097 4.551 148 HA ASP 20 HA ASP 20 6.358 1.372 6.911 149 HB2 ASP 20 2HB ASP 20 6.392 -1.176 6.595 150 HB3 ASP 20 1HB ASP 20 8.144 -1.022 6.478 151 H LYS 21 H LYS 21 7.481 3.356 6.357 152 HA LYS 21 HA LYS 21 10.230 3.399 5.627 153 HB2 LYS 21 2HB LYS 21 8.839 5.568 7.209 154 HB3 LYS 21 1HB LYS 21 10.178 5.739 6.076 155 HG2 LYS 21 2HG LYS 21 7.333 5.003 5.409 156 HG3 LYS 21 1HG LYS 21 8.132 6.498 5.000 157 HD2 LYS 21 2HD LYS 21 8.841 3.743 3.928 158 HD3 LYS 21 1HD LYS 21 8.058 5.034 3.042 159 HE2 LYS 21 2HE LYS 21 10.147 6.455 3.652 160 HE3 LYS 21 1HE LYS 21 10.910 4.907 4.004 161 HZ1 LYS 21 3HZ LYS 21 11.196 4.565 1.850 162 HZ2 LYS 21 1HZ LYS 21 10.541 6.094 1.517 163 HZ3 LYS 21 2HZ LYS 21 9.532 4.729 1.559 164 H ASP 22 H ASP 22 8.703 3.996 8.799 165 HA ASP 22 HA ASP 22 11.110 4.147 10.256 166 HB2 ASP 22 2HB ASP 22 9.705 3.865 12.225 167 HB3 ASP 22 1HB ASP 22 8.867 4.896 11.063 168 H GLY 23 H GLY 23 9.452 1.480 8.867 169 HA2 GLY 23 2HA GLY 23 9.914 -0.756 8.789 170 HA3 GLY 23 1HA GLY 23 11.507 -0.352 9.416 171 H ASP 24 H ASP 24 8.338 0.119 10.978 172 HA ASP 24 HA ASP 24 9.340 -1.363 13.314 173 HB2 ASP 24 2HB ASP 24 7.589 -0.353 14.554 174 HB3 ASP 24 1HB ASP 24 8.240 0.906 13.512 175 H GLY 25 H GLY 25 7.596 -2.035 10.544 176 HA2 GLY 25 2HA GLY 25 6.891 -4.296 10.089 177 HA3 GLY 25 1HA GLY 25 6.446 -4.474 11.784 178 H THR 26 H THR 26 5.535 -1.450 10.680 179 HA THR 26 HA THR 26 2.903 -2.316 9.687 180 HB THR 26 HB THR 26 1.950 -0.484 11.301 181 HG1 THR 26 1HG THR 26 3.374 -0.865 13.319 182 HG21 THR 26 3HG2 THR 26 1.662 -2.191 13.080 183 HG22 THR 26 1HG2 THR 26 2.884 -3.189 12.286 184 HG23 THR 26 2HG2 THR 26 1.359 -2.839 11.467 185 H ILE 27 H ILE 27 1.618 -0.393 8.934 186 HA ILE 27 HA ILE 27 3.432 1.682 7.805 187 HB ILE 27 HB ILE 27 0.990 0.445 6.563 188 HG12 ILE 27 2HG1 ILE 27 3.835 0.466 5.584 189 HG13 ILE 27 1HG1 ILE 27 3.158 -0.863 6.525 190 HG21 ILE 27 1HG2 ILE 27 1.011 2.780 5.996 191 HG22 ILE 27 2HG2 ILE 27 1.671 1.906 4.613 192 HG23 ILE 27 3HG2 ILE 27 2.754 2.743 5.725 193 HD11 ILE 27 3HD1 ILE 27 2.081 0.154 3.870 194 HD12 ILE 27 1HD1 ILE 27 1.382 -1.154 4.826 195 HD13 ILE 27 2HD1 ILE 27 2.981 -1.343 4.119 196 H THR 28 H THR 28 2.843 3.776 8.059 197 HA THR 28 HA THR 28 0.299 4.287 9.516 198 HB THR 28 HB THR 28 2.895 5.833 9.685 199 HG1 THR 28 1HG THR 28 3.295 4.682 11.416 200 HG21 THR 28 3HG2 THR 28 1.196 7.376 10.173 201 HG22 THR 28 1HG2 THR 28 1.593 6.723 11.759 202 HG23 THR 28 2HG2 THR 28 0.160 6.152 10.910 203 H THR 29 H THR 29 -0.475 6.574 9.269 204 HA THR 29 HA THR 29 -1.080 7.123 6.571 205 HB THR 29 HB THR 29 -2.067 9.207 7.424 206 HG1 THR 29 1HG THR 29 -1.195 10.074 9.103 207 HG21 THR 29 3HG2 THR 29 -3.483 8.156 9.254 208 HG22 THR 29 1HG2 THR 29 -2.451 6.735 9.122 209 HG23 THR 29 2HG2 THR 29 -3.416 7.255 7.743 210 H LYS 30 H LYS 30 1.268 8.530 8.794 211 HA LYS 30 HA LYS 30 2.180 10.570 7.009 212 HB2 LYS 30 2HB LYS 30 3.398 9.378 9.509 213 HB3 LYS 30 1HB LYS 30 4.049 10.777 8.655 214 HG2 LYS 30 2HG LYS 30 1.934 11.988 8.981 215 HG3 LYS 30 1HG LYS 30 1.246 10.586 9.800 216 HD2 LYS 30 2HD LYS 30 2.932 10.755 11.569 217 HD3 LYS 30 1HD LYS 30 3.696 12.110 10.740 218 HE2 LYS 30 2HE LYS 30 2.324 13.132 12.376 219 HE3 LYS 30 1HE LYS 30 1.380 13.258 10.893 220 HZ1 LYS 30 3HZ LYS 30 -0.116 11.746 11.608 221 HZ2 LYS 30 1HZ LYS 30 0.395 12.278 13.135 222 HZ3 LYS 30 2HZ LYS 30 1.026 10.843 12.483 223 H GLU 31 H GLU 31 3.251 7.286 7.808 224 HA GLU 31 HA GLU 31 5.708 7.304 6.424 225 HB2 GLU 31 2HB GLU 31 3.764 5.108 7.146 226 HB3 GLU 31 1HB GLU 31 5.243 4.761 6.265 227 HG2 GLU 31 2HG GLU 31 6.572 5.785 8.075 228 HG3 GLU 31 1HG GLU 31 5.093 6.161 8.953 229 H LEU 32 H LEU 32 2.558 6.001 5.373 230 HA LEU 32 HA LEU 32 3.272 5.534 2.700 231 HB2 LEU 32 2HB LEU 32 1.347 4.496 3.507 232 HB3 LEU 32 1HB LEU 32 0.627 5.996 4.084 233 HG LEU 32 HG LEU 32 0.413 6.718 1.682 234 HD11 LEU 32 1HD1 LEU 32 2.202 5.367 0.712 235 HD12 LEU 32 2HD1 LEU 32 0.670 4.933 -0.036 236 HD13 LEU 32 3HD1 LEU 32 1.375 3.887 1.196 237 HD21 LEU 32 3HD2 LEU 32 -0.892 4.150 2.561 238 HD22 LEU 32 1HD2 LEU 32 -1.361 5.019 1.100 239 HD23 LEU 32 2HD2 LEU 32 -1.528 5.790 2.678 240 H GLY 33 H GLY 33 1.691 8.330 4.233 241 HA2 GLY 33 2HA GLY 33 1.151 9.909 2.024 242 HA3 GLY 33 1HA GLY 33 1.597 10.553 3.602 243 H THR 34 H THR 34 4.210 9.498 3.776 244 HA THR 34 HA THR 34 5.702 11.461 2.409 245 HB THR 34 HB THR 34 6.759 8.831 3.479 246 HG1 THR 34 1HG THR 34 7.018 10.089 5.416 247 HG21 THR 34 3HG2 THR 34 8.017 11.576 3.261 248 HG22 THR 34 1HG2 THR 34 8.321 10.240 2.150 249 HG23 THR 34 2HG2 THR 34 8.803 10.108 3.841 250 H VAL 35 H VAL 35 5.371 7.897 1.763 251 HA VAL 35 HA VAL 35 6.941 7.867 -0.537 252 HB VAL 35 HB VAL 35 4.556 6.122 0.203 253 HG11 VAL 35 1HG1 VAL 35 5.798 4.433 -1.211 254 HG12 VAL 35 2HG1 VAL 35 6.885 5.724 -1.720 255 HG13 VAL 35 3HG1 VAL 35 5.173 5.802 -2.134 256 HG21 VAL 35 3HG2 VAL 35 6.468 4.591 0.985 257 HG22 VAL 35 1HG2 VAL 35 6.103 5.987 2.000 258 HG23 VAL 35 2HG2 VAL 35 7.497 6.024 0.913 259 H MET 36 H MET 36 3.517 8.514 -0.046 260 HA MET 36 HA MET 36 2.828 8.539 -2.849 261 HB2 MET 36 2HB MET 36 1.403 9.698 -0.455 262 HB3 MET 36 1HB MET 36 0.731 9.646 -2.086 263 HG2 MET 36 2HG MET 36 1.075 7.154 -2.082 264 HG3 MET 36 1HG MET 36 1.569 7.280 -0.397 265 HE1 MET 36 3HE MET 36 -0.949 8.052 -3.008 266 HE2 MET 36 1HE MET 36 -2.532 7.756 -2.273 267 HE3 MET 36 2HE MET 36 -1.426 6.413 -2.564 268 H ARG 37 H ARG 37 3.693 11.047 -0.520 269 HA ARG 37 HA ARG 37 3.316 13.248 -2.327 270 HB2 ARG 37 2HB ARG 37 3.249 13.542 0.098 271 HB3 ARG 37 1HB ARG 37 4.966 13.140 0.181 272 HG2 ARG 37 2HG ARG 37 5.568 15.055 -1.128 273 HG3 ARG 37 1HG ARG 37 3.889 15.387 -1.539 274 HD2 ARG 37 2HD ARG 37 3.402 15.845 0.816 275 HD3 ARG 37 1HD ARG 37 5.070 15.495 1.234 276 HE ARG 37 HE ARG 37 4.065 17.909 -0.036 277 HH11 ARG 37 1HH2 ARG 37 6.771 15.867 0.648 278 HH12 ARG 37 2HH2 ARG 37 7.947 17.117 0.405 279 HH21 ARG 37 1HH1 ARG 37 5.590 19.546 -0.344 280 HH22 ARG 37 2HH1 ARG 37 7.278 19.198 -0.169 281 H SER 38 H SER 38 6.233 11.579 -1.124 282 HA SER 38 HA SER 38 8.169 12.952 -2.547 283 HB2 SER 38 2HB SER 38 8.036 10.044 -1.744 284 HB3 SER 38 1HB SER 38 9.466 10.770 -2.472 285 HG SER 38 HG SER 38 8.552 12.347 -0.514 286 H LEU 39 H LEU 39 5.773 10.746 -3.728 287 HA LEU 39 HA LEU 39 7.160 10.315 -6.268 288 HB2 LEU 39 2HB LEU 39 4.529 9.343 -5.153 289 HB3 LEU 39 1HB LEU 39 5.083 8.975 -6.781 290 HG LEU 39 HG LEU 39 6.786 8.401 -4.342 291 HD11 LEU 39 1HD1 LEU 39 5.946 6.142 -4.321 292 HD12 LEU 39 2HD1 LEU 39 4.976 6.430 -5.764 293 HD13 LEU 39 3HD1 LEU 39 4.546 7.210 -4.243 294 HD21 LEU 39 3HD2 LEU 39 7.629 6.612 -6.053 295 HD22 LEU 39 1HD2 LEU 39 8.131 8.278 -6.279 296 HD23 LEU 39 2HD2 LEU 39 6.834 7.608 -7.264 297 H GLY 40 H GLY 40 4.954 12.522 -4.890 298 HA2 GLY 40 2HA GLY 40 4.297 14.537 -5.932 299 HA3 GLY 40 1HA GLY 40 4.570 13.802 -7.505 300 H GLN 41 H GLN 41 2.814 11.787 -5.385 301 HA GLN 41 HA GLN 41 0.376 12.242 -6.952 302 HB2 GLN 41 2HB GLN 41 1.294 9.931 -6.540 303 HB3 GLN 41 1HB GLN 41 0.885 10.139 -4.837 304 HG2 GLN 41 2HG GLN 41 -1.451 10.297 -5.316 305 HG3 GLN 41 1HG GLN 41 -1.162 10.502 -7.041 306 HE21 GLN 41 1HE2 GLN 41 -1.672 8.612 -8.168 307 HE22 GLN 41 2HE2 GLN 41 -1.481 7.037 -7.562 308 H ASN 42 H ASN 42 -1.727 12.108 -5.730 309 HA ASN 42 HA ASN 42 -2.387 14.268 -4.342 310 HB2 ASN 42 2HB ASN 42 -3.499 11.652 -3.427 311 HB3 ASN 42 1HB ASN 42 -4.318 13.202 -3.584 312 HD21 ASN 42 1HD2 ASN 42 -4.249 14.083 -5.995 313 HD22 ASN 42 2HD2 ASN 42 -4.545 12.925 -7.201 314 HA PRO 43 HA PRO 43 0.125 13.461 -0.587 315 HB2 PRO 43 2HB PRO 43 0.725 16.076 -0.034 316 HB3 PRO 43 1HB PRO 43 1.609 15.110 -1.229 317 HG2 PRO 43 2HG PRO 43 -0.395 17.252 -1.650 318 HG3 PRO 43 1HG PRO 43 0.959 16.757 -2.678 319 HD2 PRO 43 2HD PRO 43 -1.766 16.068 -3.042 320 HD3 PRO 43 1HD PRO 43 -0.383 15.353 -3.892 321 H THR 44 H THR 44 -2.890 14.099 -0.956 322 HA THR 44 HA THR 44 -3.702 15.758 1.191 323 HB THR 44 HB THR 44 -5.906 14.481 0.919 324 HG1 THR 44 1HG THR 44 -5.927 13.227 -1.034 325 HG21 THR 44 3HG2 THR 44 -4.648 15.687 -1.563 326 HG22 THR 44 1HG2 THR 44 -5.379 16.610 -0.248 327 HG23 THR 44 2HG2 THR 44 -6.375 15.542 -1.237 328 H GLU 45 H GLU 45 -2.412 15.115 2.965 329 HA GLU 45 HA GLU 45 -2.197 12.571 4.084 330 HB2 GLU 45 2HB GLU 45 -0.848 14.486 4.823 331 HB3 GLU 45 1HB GLU 45 -2.288 15.254 5.490 332 HG2 GLU 45 2HG GLU 45 -2.569 13.479 7.102 333 HG3 GLU 45 1HG GLU 45 -1.275 12.538 6.364 334 H ALA 46 H ALA 46 -4.941 14.503 3.724 335 HA ALA 46 HA ALA 46 -6.380 13.478 6.047 336 HB1 ALA 46 1HB ALA 46 -8.271 14.776 5.128 337 HB2 ALA 46 2HB ALA 46 -7.301 15.166 3.708 338 HB3 ALA 46 3HB ALA 46 -6.818 15.760 5.297 339 H GLU 47 H GLU 47 -6.302 13.049 2.550 340 HA GLU 47 HA GLU 47 -8.485 11.297 2.252 341 HB2 GLU 47 2HB GLU 47 -7.306 12.421 0.371 342 HB3 GLU 47 1HB GLU 47 -5.897 11.404 0.660 343 HG2 GLU 47 2HG GLU 47 -7.265 9.389 0.208 344 HG3 GLU 47 1HG GLU 47 -8.666 10.415 -0.090 345 H LEU 48 H LEU 48 -5.029 10.687 2.869 346 HA LEU 48 HA LEU 48 -5.164 7.856 2.895 347 HB2 LEU 48 2HB LEU 48 -3.265 9.891 4.059 348 HB3 LEU 48 1HB LEU 48 -3.033 8.165 4.352 349 HG LEU 48 HG LEU 48 -2.816 7.696 2.007 350 HD11 LEU 48 1HD1 LEU 48 -3.716 10.563 1.651 351 HD12 LEU 48 2HD1 LEU 48 -4.489 9.107 1.030 352 HD13 LEU 48 3HD1 LEU 48 -2.952 9.645 0.358 353 HD21 LEU 48 3HD2 LEU 48 -0.974 9.398 1.370 354 HD22 LEU 48 1HD2 LEU 48 -0.730 8.454 2.835 355 HD23 LEU 48 2HD2 LEU 48 -1.273 10.128 2.941 356 H GLN 49 H GLN 49 -5.063 10.219 5.590 357 HA GLN 49 HA GLN 49 -5.378 8.494 7.734 358 HB2 GLN 49 2HB GLN 49 -6.432 11.282 7.265 359 HB3 GLN 49 1HB GLN 49 -6.628 10.451 8.808 360 HG2 GLN 49 2HG GLN 49 -4.286 10.313 9.154 361 HG3 GLN 49 1HG GLN 49 -3.928 10.740 7.487 362 HE21 GLN 49 1HE2 GLN 49 -3.166 12.107 10.118 363 HE22 GLN 49 2HE2 GLN 49 -3.694 13.709 9.925 364 H ASP 50 H ASP 50 -7.820 9.649 5.487 365 HA ASP 50 HA ASP 50 -10.025 8.495 6.958 366 HB2 ASP 50 2HB ASP 50 -10.313 10.525 5.594 367 HB3 ASP 50 1HB ASP 50 -9.906 9.609 4.147 368 H MET 51 H MET 51 -8.205 7.705 3.999 369 HA MET 51 HA MET 51 -9.728 5.447 3.250 370 HB2 MET 51 2HB MET 51 -6.888 6.306 2.703 371 HB3 MET 51 1HB MET 51 -7.522 4.786 2.075 372 HG2 MET 51 2HG MET 51 -8.878 7.456 1.631 373 HG3 MET 51 1HG MET 51 -7.735 6.748 0.490 374 HE1 MET 51 3HE MET 51 -11.436 6.485 -0.873 375 HE2 MET 51 1HE MET 51 -10.179 7.651 -0.437 376 HE3 MET 51 2HE MET 51 -11.443 7.238 0.719 377 H ILE 52 H ILE 52 -6.794 5.730 5.241 378 HA ILE 52 HA ILE 52 -6.516 2.953 5.727 379 HB ILE 52 HB ILE 52 -5.498 5.432 7.100 380 HG12 ILE 52 2HG1 ILE 52 -4.065 3.102 5.785 381 HG13 ILE 52 1HG1 ILE 52 -4.528 4.570 4.925 382 HG21 ILE 52 1HG2 ILE 52 -5.748 3.981 8.965 383 HG22 ILE 52 2HG2 ILE 52 -4.077 3.749 8.457 384 HG23 ILE 52 3HG2 ILE 52 -5.302 2.562 8.024 385 HD11 ILE 52 3HD1 ILE 52 -2.121 4.277 6.097 386 HD12 ILE 52 1HD1 ILE 52 -3.002 4.942 7.471 387 HD13 ILE 52 2HD1 ILE 52 -2.922 5.840 5.956 388 H ASN 53 H ASN 53 -8.204 5.546 7.434 389 HA ASN 53 HA ASN 53 -8.977 4.201 9.742 390 HB2 ASN 53 2HB ASN 53 -9.340 6.591 9.440 391 HB3 ASN 53 1HB ASN 53 -10.484 6.281 8.135 392 HD21 ASN 53 1HD2 ASN 53 -10.093 6.374 11.613 393 HD22 ASN 53 2HD2 ASN 53 -11.706 6.005 11.995 394 H GLU 54 H GLU 54 -10.472 4.184 6.519 395 HA GLU 54 HA GLU 54 -12.779 2.689 7.258 396 HB2 GLU 54 2HB GLU 54 -11.405 3.082 4.592 397 HB3 GLU 54 1HB GLU 54 -12.963 2.277 4.787 398 HG2 GLU 54 2HG GLU 54 -12.366 5.104 5.706 399 HG3 GLU 54 1HG GLU 54 -13.177 4.704 4.195 400 H VAL 55 H VAL 55 -9.611 1.728 5.931 401 HA VAL 55 HA VAL 55 -10.382 -1.113 6.234 402 HB VAL 55 HB VAL 55 -8.415 -1.598 4.848 403 HG11 VAL 55 1HG1 VAL 55 -10.349 0.492 3.817 404 HG12 VAL 55 2HG1 VAL 55 -10.491 -1.261 3.677 405 HG13 VAL 55 3HG1 VAL 55 -9.245 -0.402 2.772 406 HG21 VAL 55 3HG2 VAL 55 -7.372 0.470 3.700 407 HG22 VAL 55 1HG2 VAL 55 -6.865 0.147 5.357 408 HG23 VAL 55 2HG2 VAL 55 -8.063 1.391 5.028 409 H ASP 56 H ASP 56 -9.739 0.493 8.594 410 HA ASP 56 HA ASP 56 -7.057 -0.248 9.393 411 HB2 ASP 56 2HB ASP 56 -7.631 0.766 11.532 412 HB3 ASP 56 1HB ASP 56 -8.120 1.823 10.212 413 H ALA 57 H ALA 57 -7.816 -0.891 12.165 414 HA ALA 57 HA ALA 57 -9.276 -3.393 12.045 415 HB1 ALA 57 1HB ALA 57 -6.282 -3.333 12.421 416 HB2 ALA 57 2HB ALA 57 -7.209 -4.232 11.220 417 HB3 ALA 57 3HB ALA 57 -7.286 -4.698 12.918 418 H ASP 58 H ASP 58 -6.625 -2.306 14.194 419 HA ASP 58 HA ASP 58 -8.422 -2.616 16.495 420 HB2 ASP 58 2HB ASP 58 -5.451 -2.059 16.340 421 HB3 ASP 58 1HB ASP 58 -6.362 -2.309 17.827 422 H GLY 59 H GLY 59 -7.761 -0.168 14.400 423 HA2 GLY 59 2HA GLY 59 -8.405 2.080 14.545 424 HA3 GLY 59 1HA GLY 59 -8.663 1.865 16.276 425 H ASN 60 H ASN 60 -5.708 0.656 15.136 426 HA ASN 60 HA ASN 60 -4.150 2.466 16.687 427 HB2 ASN 60 2HB ASN 60 -3.606 0.057 16.327 428 HB3 ASN 60 1HB ASN 60 -3.262 0.421 14.639 429 HD21 ASN 60 1HD2 ASN 60 -0.988 0.005 14.718 430 HD22 ASN 60 2HD2 ASN 60 0.083 0.934 15.650 431 H GLY 61 H GLY 61 -5.386 2.530 13.525 432 HA2 GLY 61 2HA GLY 61 -5.252 4.205 11.929 433 HA3 GLY 61 1HA GLY 61 -4.067 5.019 12.941 434 H THR 62 H THR 62 -3.414 1.724 12.357 435 HA THR 62 HA THR 62 -1.544 2.373 10.150 436 HB THR 62 HB THR 62 0.149 0.996 11.182 437 HG1 THR 62 1HG THR 62 -1.959 0.417 12.928 438 HG21 THR 62 3HG2 THR 62 0.653 2.343 13.149 439 HG22 THR 62 1HG2 THR 62 -1.028 2.864 13.252 440 HG23 THR 62 2HG2 THR 62 -0.029 3.377 11.893 441 H ILE 63 H ILE 63 -0.889 0.546 8.867 442 HA ILE 63 HA ILE 63 -3.025 -1.491 8.653 443 HB ILE 63 HB ILE 63 -0.940 -0.751 6.597 444 HG12 ILE 63 2HG1 ILE 63 -2.327 1.204 6.991 445 HG13 ILE 63 1HG1 ILE 63 -2.839 0.458 5.481 446 HG21 ILE 63 1HG2 ILE 63 -1.970 -3.003 6.392 447 HG22 ILE 63 2HG2 ILE 63 -2.397 -1.939 5.057 448 HG23 ILE 63 3HG2 ILE 63 -3.558 -2.239 6.352 449 HD11 ILE 63 3HD1 ILE 63 -4.878 0.830 6.557 450 HD12 ILE 63 1HD1 ILE 63 -4.220 0.461 8.148 451 HD13 ILE 63 2HD1 ILE 63 -4.549 -0.839 7.002 452 H ASP 64 H ASP 64 -2.616 -3.468 9.299 453 HA ASP 64 HA ASP 64 0.075 -4.273 10.015 454 HB2 ASP 64 2HB ASP 64 -2.609 -5.631 10.246 455 HB3 ASP 64 1HB ASP 64 -1.098 -6.364 10.777 456 H PHE 65 H PHE 65 0.588 -6.672 9.510 457 HA PHE 65 HA PHE 65 1.341 -6.921 6.863 458 HB2 PHE 65 2HB PHE 65 1.182 -8.711 9.222 459 HB3 PHE 65 1HB PHE 65 1.214 -9.556 7.669 460 HD1 PHE 65 2HD PHE 65 2.812 -6.435 8.994 461 HD2 PHE 65 1HD PHE 65 3.366 -10.307 7.218 462 HE1 PHE 65 2HE PHE 65 5.251 -6.035 8.879 463 HE2 PHE 65 1HE PHE 65 5.805 -9.906 7.099 464 HZ PHE 65 HZ PHE 65 6.751 -7.768 7.926 465 HA PRO 66 HA PRO 66 -2.241 -10.021 5.902 466 HB2 PRO 66 2HB PRO 66 -4.377 -9.972 7.714 467 HB3 PRO 66 1HB PRO 66 -3.072 -11.171 7.714 468 HG2 PRO 66 2HG PRO 66 -3.383 -8.719 9.391 469 HG3 PRO 66 1HG PRO 66 -2.770 -10.325 9.834 470 HD2 PRO 66 2HD PRO 66 -1.110 -8.262 9.404 471 HD3 PRO 66 1HD PRO 66 -0.680 -9.926 8.944 472 H GLU 67 H GLU 67 -3.353 -7.151 7.694 473 HA GLU 67 HA GLU 67 -5.642 -6.519 6.301 474 HB2 GLU 67 2HB GLU 67 -3.519 -4.638 7.362 475 HB3 GLU 67 1HB GLU 67 -5.160 -4.163 6.914 476 HG2 GLU 67 2HG GLU 67 -6.102 -5.631 8.592 477 HG3 GLU 67 1HG GLU 67 -4.509 -6.281 8.979 478 H PHE 68 H PHE 68 -2.323 -5.489 5.520 479 HA PHE 68 HA PHE 68 -2.949 -4.096 3.173 480 HB2 PHE 68 2HB PHE 68 -0.801 -3.911 4.370 481 HB3 PHE 68 1HB PHE 68 -0.384 -5.534 3.818 482 HD1 PHE 68 1HD PHE 68 -0.347 -5.980 1.285 483 HD2 PHE 68 2HD PHE 68 -0.443 -2.031 2.983 484 HE1 PHE 68 1HE PHE 68 0.475 -5.041 -0.849 485 HE2 PHE 68 2HE PHE 68 0.380 -1.094 0.840 486 HZ PHE 68 HZ PHE 68 0.837 -2.602 -1.074 487 H LEU 69 H LEU 69 -1.840 -7.416 3.674 488 HA LEU 69 HA LEU 69 -1.775 -8.252 1.008 489 HB2 LEU 69 2HB LEU 69 -0.788 -9.622 2.681 490 HB3 LEU 69 1HB LEU 69 -2.298 -9.740 3.587 491 HG LEU 69 HG LEU 69 -2.408 -10.701 0.747 492 HD11 LEU 69 1HD1 LEU 69 -0.924 -12.207 2.906 493 HD12 LEU 69 2HD1 LEU 69 -0.237 -11.577 1.410 494 HD13 LEU 69 3HD1 LEU 69 -1.417 -12.883 1.354 495 HD21 LEU 69 3HD2 LEU 69 -3.296 -12.163 3.235 496 HD22 LEU 69 1HD2 LEU 69 -3.998 -12.206 1.621 497 HD23 LEU 69 2HD2 LEU 69 -4.226 -10.794 2.649 498 H THR 70 H THR 70 -4.475 -7.605 3.087 499 HA THR 70 HA THR 70 -6.346 -9.050 1.372 500 HB THR 70 HB THR 70 -6.703 -7.507 3.927 501 HG1 THR 70 1HG THR 70 -6.212 -10.100 3.216 502 HG21 THR 70 3HG2 THR 70 -8.754 -7.227 2.761 503 HG22 THR 70 1HG2 THR 70 -9.014 -8.615 3.821 504 HG23 THR 70 2HG2 THR 70 -8.684 -8.865 2.108 505 H MET 71 H MET 71 -6.156 -5.723 2.659 506 HA MET 71 HA MET 71 -8.109 -4.596 1.119 507 HB2 MET 71 2HB MET 71 -7.325 -2.526 1.796 508 HB3 MET 71 1HB MET 71 -6.537 -3.589 2.960 509 HG2 MET 71 2HG MET 71 -4.475 -3.514 1.726 510 HG3 MET 71 1HG MET 71 -5.199 -2.682 0.377 511 HE1 MET 71 3HE MET 71 -4.468 -1.053 4.552 512 HE2 MET 71 1HE MET 71 -4.628 -2.735 4.030 513 HE3 MET 71 2HE MET 71 -6.057 -1.722 4.218 514 H MET 72 H MET 72 -5.128 -5.876 -0.006 515 HA MET 72 HA MET 72 -5.084 -4.231 -2.423 516 HB2 MET 72 2HB MET 72 -3.102 -5.397 -3.005 517 HB3 MET 72 1HB MET 72 -2.997 -5.055 -1.288 518 HG2 MET 72 2HG MET 72 -3.871 -7.340 -0.835 519 HG3 MET 72 1HG MET 72 -3.766 -7.698 -2.547 520 HE1 MET 72 3HE MET 72 -2.448 -9.737 -1.490 521 HE2 MET 72 1HE MET 72 -0.729 -9.704 -1.916 522 HE3 MET 72 2HE MET 72 -1.948 -9.283 -3.116 523 H ALA 73 H ALA 73 -6.410 -7.237 -1.356 524 HA ALA 73 HA ALA 73 -6.996 -8.146 -4.102 525 HB1 ALA 73 1HB ALA 73 -7.208 -9.420 -1.372 526 HB2 ALA 73 2HB ALA 73 -6.196 -9.914 -2.738 527 HB3 ALA 73 3HB ALA 73 -7.944 -10.147 -2.809 528 H ARG 74 H ARG 74 -8.289 -5.778 -2.832 529 HA ARG 74 HA ARG 74 -10.858 -6.295 -1.902 530 HB2 ARG 74 2HB ARG 74 -9.707 -3.995 -3.472 531 HB3 ARG 74 1HB ARG 74 -11.384 -3.997 -2.932 532 HG2 ARG 74 2HG ARG 74 -9.234 -4.652 -0.915 533 HG3 ARG 74 1HG ARG 74 -9.457 -2.965 -1.391 534 HD2 ARG 74 2HD ARG 74 -11.672 -4.768 -0.367 535 HD3 ARG 74 1HD ARG 74 -10.802 -3.599 0.614 536 HE ARG 74 HE ARG 74 -12.829 -3.019 -1.388 537 HH11 ARG 74 1HH2 ARG 74 -10.203 -1.874 0.549 538 HH12 ARG 74 2HH2 ARG 74 -10.679 -0.211 0.449 539 HH21 ARG 74 1HH1 ARG 74 -13.451 -0.833 -1.512 540 HH22 ARG 74 2HH1 ARG 74 -12.502 0.375 -0.710 541 H LYS 75 H LYS 75 -9.690 -7.445 -4.680 542 HA LYS 75 HA LYS 75 -11.719 -6.958 -6.583 543 HB2 LYS 75 2HB LYS 75 -9.726 -9.223 -6.295 544 HB3 LYS 75 1HB LYS 75 -10.771 -9.001 -7.699 545 HG2 LYS 75 2HG LYS 75 -9.805 -6.764 -8.077 546 HG3 LYS 75 1HG LYS 75 -8.767 -6.967 -6.667 547 HD2 LYS 75 2HD LYS 75 -7.688 -8.914 -7.736 548 HD3 LYS 75 1HD LYS 75 -8.725 -8.715 -9.148 549 HE2 LYS 75 2HE LYS 75 -7.776 -6.471 -9.533 550 HE3 LYS 75 1HE LYS 75 -6.744 -6.661 -8.117 551 HZ1 LYS 75 3HZ LYS 75 -5.704 -8.566 -9.162 552 HZ2 LYS 75 1HZ LYS 75 -5.568 -7.204 -10.163 553 HZ3 LYS 75 2HZ LYS 75 -6.712 -8.406 -10.519 554 H MET 76 H MET 76 -12.756 -9.212 -7.518 555 HA MET 76 HA MET 76 -14.615 -10.017 -5.430 556 HB2 MET 76 2HB MET 76 -14.544 -10.438 -8.428 557 HB3 MET 76 1HB MET 76 -15.798 -11.091 -7.380 558 HG2 MET 76 2HG MET 76 -16.384 -8.799 -6.645 559 HG3 MET 76 1HG MET 76 -15.123 -8.143 -7.688 560 HE1 MET 76 3HE MET 76 -15.912 -7.431 -10.469 561 HE2 MET 76 1HE MET 76 -16.017 -9.053 -11.160 562 HE3 MET 76 2HE MET 76 -14.800 -8.688 -9.940 563 H LYS 77 H LYS 77 -15.108 -12.178 -4.989 564 HA LYS 77 HA LYS 77 -13.260 -14.271 -5.900 565 HB2 LYS 77 2HB LYS 77 -12.236 -13.221 -3.864 566 HB3 LYS 77 1HB LYS 77 -13.691 -13.648 -2.963 567 HG2 LYS 77 2HG LYS 77 -13.313 -16.033 -3.423 568 HG3 LYS 77 1HG LYS 77 -11.900 -15.635 -4.400 569 HD2 LYS 77 2HD LYS 77 -10.792 -14.660 -2.409 570 HD3 LYS 77 1HD LYS 77 -12.201 -15.061 -1.429 571 HE2 LYS 77 2HE LYS 77 -11.856 -17.471 -1.939 572 HE3 LYS 77 1HE LYS 77 -10.431 -17.054 -2.889 573 HZ1 LYS 77 3HZ LYS 77 -10.064 -17.755 -0.490 574 HZ2 LYS 77 1HZ LYS 77 -10.701 -16.244 -0.056 575 HZ3 LYS 77 2HZ LYS 77 -9.290 -16.331 -0.998 576 H1 GLY 45 1HT GLY 45 -16.710 7.376 -5.012 577 H2 GLY 45 2HT GLY 45 -18.181 8.110 -4.588 578 H3 GLY 45 3HT GLY 45 -18.176 6.675 -5.496 579 HA2 GLY 45 2HA GLY 45 -17.843 7.075 -2.635 580 HA3 GLY 45 1HA GLY 45 -18.561 5.718 -3.506 581 H THR 46 H THR 46 -16.901 4.452 -4.899 582 HA THR 46 HA THR 46 -14.803 3.556 -3.149 583 HB THR 46 HB THR 46 -15.311 2.812 -6.046 584 HG1 THR 46 1HG THR 46 -17.087 2.369 -4.734 585 HG21 THR 46 3HG2 THR 46 -13.143 2.034 -5.506 586 HG22 THR 46 1HG2 THR 46 -14.184 0.652 -5.165 587 HG23 THR 46 2HG2 THR 46 -13.598 1.660 -3.842 588 H GLY 47 H GLY 47 -12.539 3.346 -3.873 589 HA2 GLY 47 2HA GLY 47 -11.205 4.621 -5.871 590 HA3 GLY 47 1HA GLY 47 -11.520 5.912 -4.711 591 H ALA 48 H ALA 48 -11.455 3.613 -2.639 592 HA ALA 48 HA ALA 48 -8.925 4.107 -1.557 593 HB1 ALA 48 1HB ALA 48 -10.576 1.625 -1.053 594 HB2 ALA 48 2HB ALA 48 -11.002 3.210 -0.403 595 HB3 ALA 48 3HB ALA 48 -9.481 2.446 0.063 596 H ALA 49 H ALA 49 -10.027 1.237 -3.393 597 HA ALA 49 HA ALA 49 -7.569 -0.168 -3.260 598 HB1 ALA 49 1HB ALA 49 -9.764 -0.328 -5.341 599 HB2 ALA 49 2HB ALA 49 -9.708 -1.239 -3.832 600 HB3 ALA 49 3HB ALA 49 -8.500 -1.532 -5.084 601 H LEU 50 H LEU 50 -8.854 2.171 -5.575 602 HA LEU 50 HA LEU 50 -6.907 1.873 -7.591 603 HB2 LEU 50 2HB LEU 50 -9.179 3.255 -7.463 604 HB3 LEU 50 1HB LEU 50 -8.113 4.565 -6.966 605 HG LEU 50 HG LEU 50 -7.838 2.931 -9.507 606 HD11 LEU 50 1HD1 LEU 50 -8.695 5.796 -9.012 607 HD12 LEU 50 2HD1 LEU 50 -9.716 4.491 -9.618 608 HD13 LEU 50 3HD1 LEU 50 -8.385 5.100 -10.603 609 HD21 LEU 50 3HD2 LEU 50 -5.647 3.560 -8.982 610 HD22 LEU 50 1HD2 LEU 50 -6.145 5.066 -8.211 611 HD23 LEU 50 2HD2 LEU 50 -6.177 4.913 -9.969 612 H SER 51 H SER 51 -7.067 4.016 -4.767 613 HA SER 51 HA SER 51 -4.671 5.430 -5.227 614 HB2 SER 51 2HB SER 51 -4.816 5.997 -2.830 615 HB3 SER 51 1HB SER 51 -6.377 6.166 -3.627 616 HG SER 51 HG SER 51 -6.762 4.998 -1.805 617 H TRP 52 H TRP 52 -5.381 2.497 -3.391 618 HA TRP 52 HA TRP 52 -2.770 2.083 -2.381 619 HB2 TRP 52 2HB TRP 52 -5.261 0.456 -2.709 620 HB3 TRP 52 1HB TRP 52 -3.768 -0.419 -2.371 621 HD1 TRP 52 HD TRP 52 -6.548 0.966 -0.596 622 HE1 TRP 52 1HE TRP 52 -5.958 1.564 1.839 623 HE3 TRP 52 3HE TRP 52 -1.443 0.890 -0.873 624 HZ2 TRP 52 2HZ TRP 52 -3.648 1.950 3.462 625 HZ3 TRP 52 3HZ TRP 52 -0.074 1.375 1.134 626 HH2 TRP 52 HH TRP 52 -1.156 1.909 3.296 627 H GLN 53 H GLN 53 -4.432 0.856 -5.279 628 HA GLN 53 HA GLN 53 -2.328 -0.800 -6.185 629 HB2 GLN 53 2HB GLN 53 -4.646 0.517 -7.595 630 HB3 GLN 53 1HB GLN 53 -3.506 -0.536 -8.432 631 HG2 GLN 53 2HG GLN 53 -4.994 -1.369 -5.931 632 HG3 GLN 53 1HG GLN 53 -5.594 -1.693 -7.557 633 HE21 GLN 53 1HE2 GLN 53 -4.372 -3.233 -8.891 634 HE22 GLN 53 2HE2 GLN 53 -3.239 -4.284 -8.188 635 H ALA 54 H ALA 54 -3.069 2.619 -6.794 636 HA ALA 54 HA ALA 54 -1.124 3.029 -8.817 637 HB1 ALA 54 1HB ALA 54 -2.984 4.587 -8.422 638 HB2 ALA 54 2HB ALA 54 -1.431 5.418 -8.342 639 HB3 ALA 54 3HB ALA 54 -2.295 5.017 -6.858 640 H ALA 55 H ALA 55 -0.996 3.329 -5.285 641 HA ALA 55 HA ALA 55 1.599 4.479 -5.146 642 HB1 ALA 55 1HB ALA 55 0.130 2.788 -3.107 643 HB2 ALA 55 2HB ALA 55 -0.005 4.538 -3.276 644 HB3 ALA 55 3HB ALA 55 1.525 3.816 -2.780 645 H ILE 56 H ILE 56 0.437 1.132 -5.055 646 HA ILE 56 HA ILE 56 2.926 -0.103 -4.514 647 HB ILE 56 HB ILE 56 0.420 -1.115 -5.878 648 HG12 ILE 56 2HG1 ILE 56 1.525 -1.731 -3.125 649 HG13 ILE 56 1HG1 ILE 56 0.389 -0.412 -3.419 650 HG21 ILE 56 1HG2 ILE 56 1.428 -3.389 -5.290 651 HG22 ILE 56 2HG2 ILE 56 2.960 -2.545 -5.070 652 HG23 ILE 56 3HG2 ILE 56 2.173 -2.545 -6.647 653 HD11 ILE 56 3HD1 ILE 56 -0.072 -3.362 -3.941 654 HD12 ILE 56 1HD1 ILE 56 -1.174 -2.088 -4.460 655 HD13 ILE 56 2HD1 ILE 56 -0.885 -2.357 -2.743 656 H ASP 57 H ASP 57 1.241 0.639 -7.544 657 HA ASP 57 HA ASP 57 3.097 -0.561 -9.298 658 HB2 ASP 57 2HB ASP 57 0.824 0.086 -9.972 659 HB3 ASP 57 1HB ASP 57 1.242 1.786 -9.765 660 H ALA 58 H ALA 58 2.774 2.813 -8.187 661 HA ALA 58 HA ALA 58 5.006 3.805 -9.619 662 HB1 ALA 58 1HB ALA 58 3.281 5.287 -8.731 663 HB2 ALA 58 2HB ALA 58 4.852 5.731 -8.065 664 HB3 ALA 58 3HB ALA 58 3.701 4.826 -7.082 665 H ALA 59 H ALA 59 4.652 2.522 -6.323 666 HA ALA 59 HA ALA 59 7.307 3.033 -5.469 667 HB1 ALA 59 1HB ALA 59 6.821 1.464 -3.670 668 HB2 ALA 59 2HB ALA 59 5.445 0.817 -4.565 669 HB3 ALA 59 3HB ALA 59 5.402 2.471 -3.957 670 H ARG 60 H ARG 60 5.776 0.217 -6.982 671 HA ARG 60 HA ARG 60 8.032 -1.478 -6.963 672 HB2 ARG 60 2HB ARG 60 5.572 -1.339 -8.705 673 HB3 ARG 60 1HB ARG 60 6.776 -2.619 -8.864 674 HG2 ARG 60 2HG ARG 60 5.688 -2.020 -6.112 675 HG3 ARG 60 1HG ARG 60 4.669 -2.912 -7.240 676 HD2 ARG 60 2HD ARG 60 7.514 -3.690 -6.531 677 HD3 ARG 60 1HD ARG 60 6.068 -4.421 -5.840 678 HE ARG 60 HE ARG 60 5.718 -4.599 -8.564 679 HH11 ARG 60 1HH2 ARG 60 8.191 -5.581 -6.332 680 HH12 ARG 60 2HH2 ARG 60 8.580 -7.020 -7.215 681 HH21 ARG 60 1HH1 ARG 60 6.230 -6.452 -9.696 682 HH22 ARG 60 2HH1 ARG 60 7.482 -7.507 -9.127 683 H GLN 61 H GLN 61 6.817 0.827 -9.372 684 HA GLN 61 HA GLN 61 8.741 0.235 -11.364 685 HB2 GLN 61 2HB GLN 61 6.624 1.505 -11.770 686 HB3 GLN 61 1HB GLN 61 7.314 2.865 -10.886 687 HG2 GLN 61 2HG GLN 61 7.649 3.217 -13.274 688 HG3 GLN 61 1HG GLN 61 9.208 2.915 -12.512 689 HE21 GLN 61 1HE2 GLN 61 10.293 1.915 -14.278 690 HE22 GLN 61 2HE2 GLN 61 9.764 0.469 -14.994 691 H ALA 62 H ALA 62 8.632 2.630 -8.754 692 HA ALA 62 HA ALA 62 11.023 3.983 -9.339 693 HB1 ALA 62 1HB ALA 62 9.898 3.469 -6.580 694 HB2 ALA 62 2HB ALA 62 9.257 4.685 -7.682 695 HB3 ALA 62 3HB ALA 62 10.913 4.818 -7.089 696 H LYS 63 H LYS 63 10.381 1.058 -7.453 697 HA LYS 63 HA LYS 63 13.007 0.704 -6.443 698 HB2 LYS 63 2HB LYS 63 10.993 -0.447 -5.545 699 HB3 LYS 63 1HB LYS 63 10.919 -1.411 -7.020 700 HG2 LYS 63 2HG LYS 63 13.156 -2.318 -6.561 701 HG3 LYS 63 1HG LYS 63 13.273 -1.326 -5.108 702 HD2 LYS 63 2HD LYS 63 11.308 -2.483 -4.163 703 HD3 LYS 63 1HD LYS 63 11.201 -3.483 -5.609 704 HE2 LYS 63 2HE LYS 63 13.453 -4.378 -5.160 705 HE3 LYS 63 1HE LYS 63 13.561 -3.379 -3.710 706 HZ1 LYS 63 3HZ LYS 63 11.290 -4.560 -3.205 707 HZ2 LYS 63 1HZ LYS 63 12.767 -5.290 -2.805 708 HZ3 LYS 63 2HZ LYS 63 11.942 -5.760 -4.215 709 H LEU 64 H LEU 64 11.400 -0.316 -9.420 710 HA LEU 64 HA LEU 64 13.344 -2.111 -10.340 711 HB2 LEU 64 2HB LEU 64 11.136 -1.970 -11.363 712 HB3 LEU 64 1HB LEU 64 11.454 -0.322 -11.897 713 HG LEU 64 HG LEU 64 13.267 -1.119 -13.356 714 HD11 LEU 64 1HD1 LEU 64 13.316 -3.737 -13.613 715 HD12 LEU 64 2HD1 LEU 64 12.652 -3.729 -11.980 716 HD13 LEU 64 3HD1 LEU 64 14.218 -2.984 -12.303 717 HD21 LEU 64 3HD2 LEU 64 10.895 -1.113 -14.169 718 HD22 LEU 64 1HD2 LEU 64 10.792 -2.820 -13.733 719 HD23 LEU 64 2HD2 LEU 64 11.921 -2.295 -14.982 720 H MET 65 H MET 65 12.963 1.357 -11.012 721 HA MET 65 HA MET 65 15.394 1.496 -12.559 722 HB2 MET 65 2HB MET 65 14.670 4.125 -11.704 723 HB3 MET 65 1HB MET 65 14.332 3.379 -13.263 724 HG2 MET 65 2HG MET 65 12.259 2.422 -12.391 725 HG3 MET 65 1HG MET 65 12.607 3.089 -10.796 726 HE1 MET 65 3HE MET 65 11.378 5.090 -14.646 727 HE2 MET 65 1HE MET 65 12.262 3.580 -14.391 728 HE3 MET 65 2HE MET 65 13.123 5.114 -14.410 729 H GLY 66 H GLY 66 14.493 2.144 -9.214 730 HA2 GLY 66 2HA GLY 66 15.909 2.132 -7.355 731 HA3 GLY 66 1HA GLY 66 17.298 2.120 -8.435 732 H SER 67 H SER 67 15.032 4.518 -9.276 733 HA SER 67 HA SER 67 15.240 6.820 -9.305 734 HB2 SER 67 2HB SER 67 14.177 6.664 -7.170 735 HB3 SER 67 1HB SER 67 15.664 6.136 -6.392 736 HG SER 67 HG SER 67 15.072 8.675 -7.511 737 H ALA 68 H ALA 68 17.763 5.037 -9.456 738 HA ALA 68 HA ALA 68 20.046 5.288 -9.564 739 HB1 ALA 68 1HB ALA 68 19.136 8.075 -10.309 740 HB2 ALA 68 2HB ALA 68 19.400 6.723 -11.409 741 HB3 ALA 68 3HB ALA 68 20.766 7.452 -10.564 Start of MODEL 10 1 H1 ALA 1 1HT ALA 1 -9.161 -14.456 -14.258 2 H2 ALA 1 2HT ALA 1 -9.577 -14.338 -12.616 3 H3 ALA 1 3HT ALA 1 -10.345 -15.484 -13.607 4 HA ALA 1 HA ALA 1 -8.852 -16.932 -12.819 5 HB1 ALA 1 2HB ALA 1 -6.895 -15.253 -14.416 6 HB2 ALA 1 3HB ALA 1 -8.024 -16.396 -15.142 7 HB3 ALA 1 1HB ALA 1 -6.763 -16.974 -14.052 8 H ASP 2 H ASP 2 -9.339 -14.867 -11.048 9 HA ASP 2 HA ASP 2 -6.792 -13.951 -9.953 10 HB2 ASP 2 2HB ASP 2 -8.906 -12.554 -10.140 11 HB3 ASP 2 1HB ASP 2 -9.560 -13.531 -8.831 12 H GLN 3 H GLN 3 -5.676 -15.326 -8.746 13 HA GLN 3 HA GLN 3 -6.970 -16.669 -6.486 14 HB2 GLN 3 2HB GLN 3 -7.111 -18.330 -8.290 15 HB3 GLN 3 1HB GLN 3 -5.378 -18.183 -8.574 16 HG2 GLN 3 2HG GLN 3 -4.888 -19.029 -6.353 17 HG3 GLN 3 1HG GLN 3 -6.601 -19.036 -5.935 18 HE21 GLN 3 1HE2 GLN 3 -7.197 -21.214 -5.846 19 HE22 GLN 3 2HE2 GLN 3 -6.828 -22.365 -7.036 20 H LEU 4 H LEU 4 -5.432 -17.424 -4.893 21 HA LEU 4 HA LEU 4 -3.253 -15.637 -4.542 22 HB2 LEU 4 2HB LEU 4 -4.670 -16.834 -2.745 23 HB3 LEU 4 1HB LEU 4 -3.605 -18.211 -3.019 24 HG LEU 4 HG LEU 4 -1.635 -16.681 -2.566 25 HD11 LEU 4 1HD1 LEU 4 -2.277 -14.486 -2.823 26 HD12 LEU 4 2HD1 LEU 4 -2.463 -14.623 -1.083 27 HD13 LEU 4 3HD1 LEU 4 -3.878 -14.737 -2.134 28 HD21 LEU 4 3HD2 LEU 4 -2.716 -18.218 -0.861 29 HD22 LEU 4 1HD2 LEU 4 -3.595 -16.810 -0.264 30 HD23 LEU 4 2HD2 LEU 4 -1.835 -16.849 -0.187 31 H THR 5 H THR 5 -0.984 -16.237 -4.242 32 HA THR 5 HA THR 5 0.065 -18.713 -5.150 33 HB THR 5 HB THR 5 -0.653 -17.886 -7.343 34 HG1 THR 5 1HG THR 5 1.927 -17.413 -7.786 35 HG21 THR 5 3HG2 THR 5 0.359 -15.826 -8.257 36 HG22 THR 5 1HG2 THR 5 1.118 -15.518 -6.699 37 HG23 THR 5 2HG2 THR 5 -0.639 -15.490 -6.843 38 H GLU 6 H GLU 6 2.507 -18.525 -5.478 39 HA GLU 6 HA GLU 6 3.711 -17.401 -3.256 40 HB2 GLU 6 2HB GLU 6 4.704 -19.162 -4.756 41 HB3 GLU 6 1HB GLU 6 5.054 -17.895 -5.925 42 HG2 GLU 6 2HG GLU 6 6.454 -16.731 -4.274 43 HG3 GLU 6 1HG GLU 6 6.095 -17.973 -3.078 44 H GLU 7 H GLU 7 3.834 -16.144 -6.573 45 HA GLU 7 HA GLU 7 5.211 -13.825 -6.220 46 HB2 GLU 7 2HB GLU 7 4.380 -14.494 -8.399 47 HB3 GLU 7 1HB GLU 7 2.715 -14.289 -7.867 48 HG2 GLU 7 2HG GLU 7 3.035 -11.909 -7.610 49 HG3 GLU 7 1HG GLU 7 4.746 -12.059 -7.986 50 H GLN 8 H GLN 8 1.649 -14.023 -5.946 51 HA GLN 8 HA GLN 8 1.048 -11.522 -5.140 52 HB2 GLN 8 2HB GLN 8 -0.420 -13.650 -5.456 53 HB3 GLN 8 1HB GLN 8 -0.234 -13.834 -3.719 54 HG2 GLN 8 2HG GLN 8 -2.252 -12.570 -4.070 55 HG3 GLN 8 1HG GLN 8 -1.042 -11.442 -3.469 56 HE21 GLN 8 1HE2 GLN 8 -1.719 -9.526 -4.518 57 HE22 GLN 8 2HE2 GLN 8 -1.826 -9.370 -6.205 58 H ILE 9 H ILE 9 1.679 -14.147 -2.728 59 HA ILE 9 HA ILE 9 1.550 -12.440 -0.530 60 HB ILE 9 HB ILE 9 3.009 -14.215 0.605 61 HG12 ILE 9 2HG1 ILE 9 2.666 -15.499 -2.119 62 HG13 ILE 9 1HG1 ILE 9 4.193 -14.961 -1.427 63 HG21 ILE 9 1HG2 ILE 9 1.199 -15.807 0.645 64 HG22 ILE 9 2HG2 ILE 9 0.611 -15.259 -0.924 65 HG23 ILE 9 3HG2 ILE 9 0.476 -14.209 0.487 66 HD11 ILE 9 3HD1 ILE 9 3.650 -16.517 0.535 67 HD12 ILE 9 1HD1 ILE 9 4.128 -17.249 -0.990 68 HD13 ILE 9 2HD1 ILE 9 2.430 -17.222 -0.531 69 H ALA 10 H ALA 10 4.452 -13.465 -2.349 70 HA ALA 10 HA ALA 10 6.318 -12.009 -0.859 71 HB1 ALA 10 1HB ALA 10 7.817 -12.416 -2.650 72 HB2 ALA 10 2HB ALA 10 6.514 -12.454 -3.837 73 HB3 ALA 10 3HB ALA 10 6.698 -13.781 -2.689 74 H GLU 11 H GLU 11 4.281 -11.125 -3.593 75 HA GLU 11 HA GLU 11 5.350 -8.627 -4.238 76 HB2 GLU 11 2HB GLU 11 3.590 -9.919 -5.526 77 HB3 GLU 11 1HB GLU 11 2.416 -9.361 -4.336 78 HG2 GLU 11 2HG GLU 11 2.933 -7.033 -4.868 79 HG3 GLU 11 1HG GLU 11 4.169 -7.548 -6.015 80 H PHE 12 H PHE 12 2.790 -9.472 -1.875 81 HA PHE 12 HA PHE 12 2.269 -6.814 -1.099 82 HB2 PHE 12 2HB PHE 12 0.599 -7.889 -0.008 83 HB3 PHE 12 1HB PHE 12 1.332 -9.428 -0.442 84 HD1 PHE 12 1HD PHE 12 1.735 -6.646 2.049 85 HD2 PHE 12 2HD PHE 12 2.029 -10.857 1.275 86 HE1 PHE 12 1HE PHE 12 2.280 -7.039 4.422 87 HE2 PHE 12 2HE PHE 12 2.580 -11.248 3.650 88 HZ PHE 12 HZ PHE 12 2.708 -9.341 5.225 89 H LYS 13 H LYS 13 4.470 -9.271 0.185 90 HA LYS 13 HA LYS 13 5.386 -7.893 2.425 91 HB2 LYS 13 2HB LYS 13 5.915 -10.271 1.890 92 HB3 LYS 13 1HB LYS 13 7.008 -9.712 0.627 93 HG2 LYS 13 2HG LYS 13 8.490 -10.020 2.412 94 HG3 LYS 13 1HG LYS 13 8.113 -8.312 2.571 95 HD2 LYS 13 2HD LYS 13 7.778 -9.019 4.760 96 HD3 LYS 13 1HD LYS 13 6.152 -9.201 4.123 97 HE2 LYS 13 2HE LYS 13 6.531 -11.582 3.732 98 HE3 LYS 13 1HE LYS 13 8.213 -11.424 4.245 99 HZ1 LYS 13 3HZ LYS 13 5.776 -11.077 5.879 100 HZ2 LYS 13 1HZ LYS 13 7.304 -10.554 6.393 101 HZ3 LYS 13 2HZ LYS 13 7.030 -12.205 6.096 102 H GLU 14 H GLU 14 6.572 -7.829 -0.914 103 HA GLU 14 HA GLU 14 8.753 -6.107 -0.516 104 HB2 GLU 14 2HB GLU 14 6.956 -6.536 -2.909 105 HB3 GLU 14 1HB GLU 14 8.431 -5.571 -2.959 106 HG2 GLU 14 2HG GLU 14 9.773 -7.493 -2.304 107 HG3 GLU 14 1HG GLU 14 8.329 -8.478 -2.097 108 H ALA 15 H ALA 15 5.452 -5.336 -1.653 109 HA ALA 15 HA ALA 15 5.753 -2.548 -1.672 110 HB1 ALA 15 1HB ALA 15 3.483 -2.481 -2.136 111 HB2 ALA 15 2HB ALA 15 3.098 -3.750 -0.971 112 HB3 ALA 15 3HB ALA 15 3.822 -4.166 -2.524 113 H PHE 16 H PHE 16 4.731 -4.755 0.900 114 HA PHE 16 HA PHE 16 3.996 -2.834 2.792 115 HB2 PHE 16 2HB PHE 16 3.388 -4.874 3.605 116 HB3 PHE 16 1HB PHE 16 4.696 -5.700 2.785 117 HD1 PHE 16 2HD PHE 16 4.090 -3.366 5.666 118 HD2 PHE 16 1HD PHE 16 6.471 -6.548 4.033 119 HE1 PHE 16 2HE PHE 16 5.383 -3.498 7.779 120 HE2 PHE 16 1HE PHE 16 7.760 -6.672 6.136 121 HZ PHE 16 HZ PHE 16 7.220 -5.146 8.001 122 H SER 17 H SER 17 7.124 -4.462 2.333 123 HA SER 17 HA SER 17 8.525 -3.198 4.381 124 HB2 SER 17 2HB SER 17 9.398 -5.135 3.132 125 HB3 SER 17 1HB SER 17 9.585 -4.124 1.699 126 HG SER 17 HG SER 17 11.239 -4.409 3.787 127 H LEU 18 H LEU 18 7.809 -2.094 1.111 128 HA LEU 18 HA LEU 18 9.608 0.115 1.105 129 HB2 LEU 18 2HB LEU 18 7.060 -0.407 -0.425 130 HB3 LEU 18 1HB LEU 18 8.104 0.984 -0.722 131 HG LEU 18 HG LEU 18 9.024 -1.904 -0.848 132 HD11 LEU 18 1HD1 LEU 18 8.827 -1.823 -3.207 133 HD12 LEU 18 2HD1 LEU 18 8.607 -0.074 -3.213 134 HD13 LEU 18 3HD1 LEU 18 7.318 -1.122 -2.622 135 HD21 LEU 18 3HD2 LEU 18 10.874 -0.584 -2.276 136 HD22 LEU 18 1HD2 LEU 18 11.003 -0.733 -0.524 137 HD23 LEU 18 2HD2 LEU 18 10.376 0.753 -1.235 138 H PHE 19 H PHE 19 6.179 -0.157 1.983 139 HA PHE 19 HA PHE 19 5.868 2.626 2.513 140 HB2 PHE 19 2HB PHE 19 4.242 0.271 3.461 141 HB3 PHE 19 1HB PHE 19 3.746 1.957 3.574 142 HD1 PHE 19 2HD PHE 19 4.128 3.276 1.183 143 HD2 PHE 19 1HD PHE 19 3.336 -0.914 1.681 144 HE1 PHE 19 2HE PHE 19 3.278 3.156 -1.137 145 HE2 PHE 19 1HE PHE 19 2.486 -1.029 -0.616 146 HZ PHE 19 HZ PHE 19 2.454 1.002 -2.046 147 H ASP 20 H ASP 20 6.263 -0.173 4.713 148 HA ASP 20 HA ASP 20 6.215 1.322 7.094 149 HB2 ASP 20 2HB ASP 20 6.111 -1.211 6.820 150 HB3 ASP 20 1HB ASP 20 7.866 -1.171 6.674 151 H LYS 21 H LYS 21 7.477 3.223 6.343 152 HA LYS 21 HA LYS 21 10.246 3.096 5.780 153 HB2 LYS 21 2HB LYS 21 8.994 5.417 7.241 154 HB3 LYS 21 1HB LYS 21 10.295 5.445 6.056 155 HG2 LYS 21 2HG LYS 21 7.363 4.906 5.560 156 HG3 LYS 21 1HG LYS 21 8.299 6.277 4.992 157 HD2 LYS 21 2HD LYS 21 8.711 3.388 4.125 158 HD3 LYS 21 1HD LYS 21 7.948 4.656 3.178 159 HE2 LYS 21 2HE LYS 21 10.126 5.985 3.469 160 HE3 LYS 21 1HE LYS 21 10.844 4.470 4.011 161 HZ1 LYS 21 3HZ LYS 21 10.024 5.276 1.365 162 HZ2 LYS 21 1HZ LYS 21 9.564 3.702 1.793 163 HZ3 LYS 21 2HZ LYS 21 11.202 4.149 1.847 164 H ASP 22 H ASP 22 8.592 3.817 8.878 165 HA ASP 22 HA ASP 22 10.899 3.993 10.434 166 HB2 ASP 22 2HB ASP 22 8.301 2.833 11.439 167 HB3 ASP 22 1HB ASP 22 9.442 3.869 12.295 168 H GLY 23 H GLY 23 9.388 1.291 8.950 169 HA2 GLY 23 2HA GLY 23 9.879 -0.938 8.911 170 HA3 GLY 23 1HA GLY 23 11.453 -0.490 9.555 171 H ASP 24 H ASP 24 8.253 -0.093 11.072 172 HA ASP 24 HA ASP 24 9.257 -1.617 13.394 173 HB2 ASP 24 2HB ASP 24 7.571 -0.553 14.685 174 HB3 ASP 24 1HB ASP 24 8.302 0.695 13.680 175 H GLY 25 H GLY 25 7.540 -2.229 10.641 176 HA2 GLY 25 2HA GLY 25 6.652 -4.389 10.144 177 HA3 GLY 25 1HA GLY 25 6.277 -4.609 11.851 178 H THR 26 H THR 26 5.462 -1.513 10.792 179 HA THR 26 HA THR 26 2.722 -2.254 9.995 180 HB THR 26 HB THR 26 1.948 -0.371 11.595 181 HG1 THR 26 1HG THR 26 3.384 -0.339 13.476 182 HG21 THR 26 3HG2 THR 26 1.848 -1.995 13.510 183 HG22 THR 26 1HG2 THR 26 2.924 -3.058 12.599 184 HG23 THR 26 2HG2 THR 26 1.321 -2.669 11.969 185 H ILE 27 H ILE 27 1.542 -0.449 9.046 186 HA ILE 27 HA ILE 27 3.373 1.591 7.889 187 HB ILE 27 HB ILE 27 0.887 0.336 6.712 188 HG12 ILE 27 2HG1 ILE 27 3.734 0.370 5.705 189 HG13 ILE 27 1HG1 ILE 27 3.059 -0.953 6.656 190 HG21 ILE 27 1HG2 ILE 27 0.845 2.636 6.076 191 HG22 ILE 27 2HG2 ILE 27 1.577 1.785 4.715 192 HG23 ILE 27 3HG2 ILE 27 2.592 2.677 5.849 193 HD11 ILE 27 3HD1 ILE 27 1.973 0.037 3.996 194 HD12 ILE 27 1HD1 ILE 27 1.278 -1.263 4.965 195 HD13 ILE 27 2HD1 ILE 27 2.877 -1.456 4.250 196 H THR 28 H THR 28 2.759 3.723 8.023 197 HA THR 28 HA THR 28 0.219 4.311 9.452 198 HB THR 28 HB THR 28 2.884 5.705 9.801 199 HG1 THR 28 1HG THR 28 1.418 4.132 11.638 200 HG21 THR 28 3HG2 THR 28 1.218 7.327 10.191 201 HG22 THR 28 1HG2 THR 28 1.547 6.675 11.794 202 HG23 THR 28 2HG2 THR 28 0.114 6.153 10.908 203 H THR 29 H THR 29 -0.510 6.569 9.177 204 HA THR 29 HA THR 29 -0.930 7.216 6.499 205 HB THR 29 HB THR 29 -1.893 9.278 7.309 206 HG1 THR 29 1HG THR 29 -1.529 9.634 9.686 207 HG21 THR 29 3HG2 THR 29 -2.238 7.041 9.326 208 HG22 THR 29 1HG2 THR 29 -3.169 7.262 7.847 209 HG23 THR 29 2HG2 THR 29 -3.318 8.424 9.165 210 H LYS 30 H LYS 30 1.390 8.530 8.827 211 HA LYS 30 HA LYS 30 2.494 10.490 7.088 212 HB2 LYS 30 2HB LYS 30 3.550 9.174 9.591 213 HB3 LYS 30 1HB LYS 30 4.373 10.498 8.766 214 HG2 LYS 30 2HG LYS 30 2.296 11.874 8.991 215 HG3 LYS 30 1HG LYS 30 1.568 10.566 9.922 216 HD2 LYS 30 2HD LYS 30 4.185 11.873 10.700 217 HD3 LYS 30 1HD LYS 30 2.626 12.438 11.295 218 HE2 LYS 30 2HE LYS 30 2.237 10.008 12.072 219 HE3 LYS 30 1HE LYS 30 3.960 9.770 11.787 220 HZ1 LYS 30 3HZ LYS 30 2.794 10.828 14.030 221 HZ2 LYS 30 1HZ LYS 30 3.480 12.160 13.235 222 HZ3 LYS 30 2HZ LYS 30 4.449 10.825 13.646 223 H GLU 31 H GLU 31 3.405 7.155 7.896 224 HA GLU 31 HA GLU 31 5.843 7.039 6.506 225 HB2 GLU 31 2HB GLU 31 3.766 4.966 7.210 226 HB3 GLU 31 1HB GLU 31 5.217 4.529 6.311 227 HG2 GLU 31 2HG GLU 31 6.628 5.384 8.118 228 HG3 GLU 31 1HG GLU 31 5.208 5.942 8.997 229 H LEU 32 H LEU 32 2.657 5.853 5.412 230 HA LEU 32 HA LEU 32 3.410 5.465 2.730 231 HB2 LEU 32 2HB LEU 32 1.481 4.387 3.552 232 HB3 LEU 32 1HB LEU 32 0.735 5.889 4.070 233 HG LEU 32 HG LEU 32 0.595 6.553 1.632 234 HD11 LEU 32 1HD1 LEU 32 2.369 5.223 0.697 235 HD12 LEU 32 2HD1 LEU 32 0.856 4.626 0.015 236 HD13 LEU 32 3HD1 LEU 32 1.646 3.734 1.316 237 HD21 LEU 32 3HD2 LEU 32 -0.729 4.012 2.588 238 HD22 LEU 32 1HD2 LEU 32 -1.157 4.797 1.068 239 HD23 LEU 32 2HD2 LEU 32 -1.382 5.650 2.594 240 H GLY 33 H GLY 33 1.712 8.166 4.305 241 HA2 GLY 33 2HA GLY 33 1.165 9.781 2.151 242 HA3 GLY 33 1HA GLY 33 1.625 10.407 3.733 243 H THR 34 H THR 34 4.237 9.510 3.929 244 HA THR 34 HA THR 34 5.652 11.479 2.512 245 HB THR 34 HB THR 34 6.675 8.937 3.806 246 HG1 THR 34 1HG THR 34 6.547 11.603 4.758 247 HG21 THR 34 3HG2 THR 34 8.086 11.450 2.872 248 HG22 THR 34 1HG2 THR 34 8.369 9.797 2.321 249 HG23 THR 34 2HG2 THR 34 8.813 10.268 3.961 250 H VAL 35 H VAL 35 5.394 7.933 1.946 251 HA VAL 35 HA VAL 35 7.030 7.834 -0.318 252 HB VAL 35 HB VAL 35 4.625 6.127 0.406 253 HG11 VAL 35 1HG1 VAL 35 6.904 5.745 -1.551 254 HG12 VAL 35 2HG1 VAL 35 5.173 5.733 -1.897 255 HG13 VAL 35 3HG1 VAL 35 5.899 4.413 -0.978 256 HG21 VAL 35 3HG2 VAL 35 6.166 5.980 2.203 257 HG22 VAL 35 1HG2 VAL 35 7.558 6.000 1.122 258 HG23 VAL 35 2HG2 VAL 35 6.519 4.577 1.197 259 H MET 36 H MET 36 3.566 8.483 0.059 260 HA MET 36 HA MET 36 2.969 8.486 -2.741 261 HB2 MET 36 2HB MET 36 1.541 9.804 -0.423 262 HB3 MET 36 1HB MET 36 0.895 9.678 -2.061 263 HG2 MET 36 2HG MET 36 1.116 7.202 -1.929 264 HG3 MET 36 1HG MET 36 1.673 7.363 -0.264 265 HE1 MET 36 3HE MET 36 -2.424 8.106 -2.077 266 HE2 MET 36 1HE MET 36 -1.538 6.591 -2.303 267 HE3 MET 36 2HE MET 36 -0.838 8.116 -2.843 268 H ARG 37 H ARG 37 3.810 11.055 -0.464 269 HA ARG 37 HA ARG 37 3.530 13.178 -2.355 270 HB2 ARG 37 2HB ARG 37 3.474 13.624 0.046 271 HB3 ARG 37 1HB ARG 37 5.140 13.074 0.208 272 HG2 ARG 37 2HG ARG 37 5.041 15.529 0.118 273 HG3 ARG 37 1HG ARG 37 5.884 14.903 -1.295 274 HD2 ARG 37 2HD ARG 37 4.118 15.421 -2.735 275 HD3 ARG 37 1HD ARG 37 2.914 15.371 -1.448 276 HE ARG 37 HE ARG 37 4.623 17.457 -0.819 277 HH11 ARG 37 1HH2 ARG 37 2.525 16.523 -3.422 278 HH12 ARG 37 2HH2 ARG 37 2.140 18.152 -3.867 279 HH21 ARG 37 1HH1 ARG 37 4.127 19.583 -1.403 280 HH22 ARG 37 2HH1 ARG 37 3.047 19.886 -2.720 281 H SER 38 H SER 38 6.407 11.499 -1.079 282 HA SER 38 HA SER 38 8.385 12.783 -2.499 283 HB2 SER 38 2HB SER 38 9.680 10.686 -2.314 284 HB3 SER 38 1HB SER 38 8.856 11.074 -0.806 285 HG SER 38 HG SER 38 8.631 8.902 -2.334 286 H LEU 39 H LEU 39 6.020 10.494 -3.643 287 HA LEU 39 HA LEU 39 7.350 10.005 -6.164 288 HB2 LEU 39 2HB LEU 39 4.616 9.315 -5.099 289 HB3 LEU 39 1HB LEU 39 5.166 8.865 -6.714 290 HG LEU 39 HG LEU 39 6.782 8.189 -4.243 291 HD11 LEU 39 1HD1 LEU 39 4.487 7.242 -4.014 292 HD12 LEU 39 2HD1 LEU 39 5.711 5.990 -4.213 293 HD13 LEU 39 3HD1 LEU 39 4.686 6.445 -5.574 294 HD21 LEU 39 3HD2 LEU 39 8.102 7.846 -6.185 295 HD22 LEU 39 1HD2 LEU 39 6.733 7.253 -7.125 296 HD23 LEU 39 2HD2 LEU 39 7.439 6.249 -5.860 297 H GLY 40 H GLY 40 5.280 12.428 -4.907 298 HA2 GLY 40 2HA GLY 40 4.970 14.491 -6.061 299 HA3 GLY 40 1HA GLY 40 5.067 13.631 -7.593 300 H GLN 41 H GLN 41 3.135 12.189 -5.120 301 HA GLN 41 HA GLN 41 0.772 12.427 -6.732 302 HB2 GLN 41 2HB GLN 41 1.149 11.378 -3.919 303 HB3 GLN 41 1HB GLN 41 -0.307 11.197 -4.888 304 HG2 GLN 41 2HG GLN 41 2.429 10.154 -5.666 305 HG3 GLN 41 1HG GLN 41 1.131 9.178 -4.988 306 HE21 GLN 41 1HE2 GLN 41 2.548 9.694 -7.872 307 HE22 GLN 41 2HE2 GLN 41 1.214 9.554 -8.911 308 H ASN 42 H ASN 42 -0.783 13.915 -6.665 309 HA ASN 42 HA ASN 42 -0.569 16.349 -5.415 310 HB2 ASN 42 2HB ASN 42 -3.159 16.409 -5.775 311 HB3 ASN 42 1HB ASN 42 -2.103 16.257 -7.179 312 HD21 ASN 42 1HD2 ASN 42 -3.675 15.068 -8.437 313 HD22 ASN 42 2HD2 ASN 42 -4.113 13.475 -8.045 314 HA PRO 43 HA PRO 43 -1.552 16.173 -1.103 315 HB2 PRO 43 2HB PRO 43 -3.924 17.910 -1.728 316 HB3 PRO 43 1HB PRO 43 -2.678 18.115 -0.485 317 HG2 PRO 43 2HG PRO 43 -2.700 19.519 -2.811 318 HG3 PRO 43 1HG PRO 43 -1.214 19.122 -1.929 319 HD2 PRO 43 2HD PRO 43 -2.163 18.061 -4.507 320 HD3 PRO 43 1HD PRO 43 -0.549 17.955 -3.780 321 H THR 44 H THR 44 -2.198 14.024 -0.905 322 HA THR 44 HA THR 44 -5.114 13.560 -0.853 323 HB THR 44 HB THR 44 -4.313 12.636 -2.975 324 HG1 THR 44 1HG THR 44 -4.695 10.549 -1.108 325 HG21 THR 44 3HG2 THR 44 -2.523 10.808 -1.371 326 HG22 THR 44 1HG2 THR 44 -1.932 12.307 -2.089 327 HG23 THR 44 2HG2 THR 44 -2.571 11.026 -3.120 328 H GLU 45 H GLU 45 -2.245 13.576 0.743 329 HA GLU 45 HA GLU 45 -2.124 11.230 2.237 330 HB2 GLU 45 2HB GLU 45 -0.952 12.573 3.934 331 HB3 GLU 45 1HB GLU 45 -0.409 13.002 2.311 332 HG2 GLU 45 2HG GLU 45 -1.975 14.927 2.312 333 HG3 GLU 45 1HG GLU 45 -2.457 14.517 3.955 334 H ALA 46 H ALA 46 -4.456 13.756 2.291 335 HA ALA 46 HA ALA 46 -5.475 13.254 4.942 336 HB1 ALA 46 1HB ALA 46 -6.924 14.587 2.646 337 HB2 ALA 46 2HB ALA 46 -5.731 15.418 3.646 338 HB3 ALA 46 3HB ALA 46 -7.212 14.797 4.374 339 H GLU 47 H GLU 47 -6.373 12.340 1.654 340 HA GLU 47 HA GLU 47 -8.747 10.971 2.158 341 HB2 GLU 47 2HB GLU 47 -7.856 11.513 -0.106 342 HB3 GLU 47 1HB GLU 47 -6.612 10.286 0.116 343 HG2 GLU 47 2HG GLU 47 -8.387 9.302 -1.179 344 HG3 GLU 47 1HG GLU 47 -8.458 8.588 0.430 345 H LEU 48 H LEU 48 -5.394 9.793 2.141 346 HA LEU 48 HA LEU 48 -5.956 7.103 2.777 347 HB2 LEU 48 2HB LEU 48 -3.561 8.888 3.116 348 HB3 LEU 48 1HB LEU 48 -3.530 7.247 3.758 349 HG LEU 48 HG LEU 48 -2.596 7.483 1.421 350 HD11 LEU 48 1HD1 LEU 48 -5.037 5.734 1.200 351 HD12 LEU 48 2HD1 LEU 48 -3.845 5.367 2.448 352 HD13 LEU 48 3HD1 LEU 48 -3.368 5.400 0.754 353 HD21 LEU 48 3HD2 LEU 48 -4.364 9.206 0.767 354 HD22 LEU 48 1HD2 LEU 48 -5.489 7.860 0.605 355 HD23 LEU 48 2HD2 LEU 48 -4.060 7.942 -0.423 356 H GLN 49 H GLN 49 -5.013 9.819 4.885 357 HA GLN 49 HA GLN 49 -5.005 8.604 7.340 358 HB2 GLN 49 2HB GLN 49 -6.007 11.308 6.487 359 HB3 GLN 49 1HB GLN 49 -6.020 10.835 8.185 360 HG2 GLN 49 2HG GLN 49 -3.647 10.528 8.202 361 HG3 GLN 49 1HG GLN 49 -3.549 10.679 6.450 362 HE21 GLN 49 1HE2 GLN 49 -1.899 12.437 7.485 363 HE22 GLN 49 2HE2 GLN 49 -2.555 13.997 7.630 364 H ASP 50 H ASP 50 -7.855 9.711 5.566 365 HA ASP 50 HA ASP 50 -9.726 8.937 7.590 366 HB2 ASP 50 2HB ASP 50 -10.224 10.677 5.936 367 HB3 ASP 50 1HB ASP 50 -10.149 9.477 4.649 368 H MET 51 H MET 51 -8.484 7.393 4.636 369 HA MET 51 HA MET 51 -10.284 5.183 4.706 370 HB2 MET 51 2HB MET 51 -7.610 5.594 3.366 371 HB3 MET 51 1HB MET 51 -8.595 4.149 3.145 372 HG2 MET 51 2HG MET 51 -9.596 6.962 2.618 373 HG3 MET 51 1HG MET 51 -8.940 5.906 1.366 374 HE1 MET 51 3HE MET 51 -11.404 6.574 0.276 375 HE2 MET 51 1HE MET 51 -11.849 7.364 1.796 376 HE3 MET 51 2HE MET 51 -12.926 6.174 1.070 377 H ILE 52 H ILE 52 -6.889 5.546 5.746 378 HA ILE 52 HA ILE 52 -6.503 2.928 6.641 379 HB ILE 52 HB ILE 52 -5.266 5.572 7.413 380 HG12 ILE 52 2HG1 ILE 52 -4.133 3.083 6.085 381 HG13 ILE 52 1HG1 ILE 52 -4.751 4.481 5.212 382 HG21 ILE 52 1HG2 ILE 52 -4.798 2.842 8.623 383 HG22 ILE 52 2HG2 ILE 52 -5.087 4.364 9.458 384 HG23 ILE 52 3HG2 ILE 52 -3.548 4.084 8.643 385 HD11 ILE 52 3HD1 ILE 52 -2.211 4.368 5.610 386 HD12 ILE 52 1HD1 ILE 52 -2.577 4.762 7.290 387 HD13 ILE 52 2HD1 ILE 52 -3.022 5.884 6.000 388 H ASN 53 H ASN 53 -7.819 5.769 8.285 389 HA ASN 53 HA ASN 53 -8.091 4.656 10.849 390 HB2 ASN 53 2HB ASN 53 -9.685 6.787 9.418 391 HB3 ASN 53 1HB ASN 53 -9.886 6.404 11.126 392 HD21 ASN 53 1HD2 ASN 53 -6.917 5.832 11.425 393 HD22 ASN 53 2HD2 ASN 53 -6.180 7.359 11.434 394 H GLU 54 H GLU 54 -9.783 3.985 7.937 395 HA GLU 54 HA GLU 54 -12.128 2.890 9.333 396 HB2 GLU 54 2HB GLU 54 -12.373 4.249 7.237 397 HB3 GLU 54 1HB GLU 54 -11.549 2.957 6.365 398 HG2 GLU 54 2HG GLU 54 -13.917 2.596 6.116 399 HG3 GLU 54 1HG GLU 54 -13.317 1.366 7.221 400 H VAL 55 H VAL 55 -9.739 1.724 6.918 401 HA VAL 55 HA VAL 55 -10.505 -0.990 7.135 402 HB VAL 55 HB VAL 55 -8.272 -1.430 6.024 403 HG11 VAL 55 1HG1 VAL 55 -8.954 -0.125 3.940 404 HG12 VAL 55 2HG1 VAL 55 -10.232 0.597 4.915 405 HG13 VAL 55 3HG1 VAL 55 -10.210 -1.145 4.641 406 HG21 VAL 55 3HG2 VAL 55 -8.075 1.558 5.733 407 HG22 VAL 55 1HG2 VAL 55 -6.824 0.345 5.478 408 HG23 VAL 55 2HG2 VAL 55 -7.325 0.771 7.118 409 H ASP 56 H ASP 56 -8.489 0.957 9.175 410 HA ASP 56 HA ASP 56 -6.771 -0.993 10.236 411 HB2 ASP 56 2HB ASP 56 -6.567 1.434 10.674 412 HB3 ASP 56 1HB ASP 56 -8.008 1.360 11.686 413 H ALA 57 H ALA 57 -7.115 -2.747 11.419 414 HA ALA 57 HA ALA 57 -9.739 -3.541 12.203 415 HB1 ALA 57 1HB ALA 57 -7.000 -4.707 12.664 416 HB2 ALA 57 2HB ALA 57 -8.253 -5.264 11.556 417 HB3 ALA 57 3HB ALA 57 -8.465 -5.460 13.297 418 H ASP 58 H ASP 58 -6.865 -2.560 14.099 419 HA ASP 58 HA ASP 58 -8.430 -2.655 16.577 420 HB2 ASP 58 2HB ASP 58 -5.522 -2.045 16.020 421 HB3 ASP 58 1HB ASP 58 -6.246 -2.016 17.626 422 H GLY 59 H GLY 59 -7.963 -0.428 14.148 423 HA2 GLY 59 2HA GLY 59 -8.497 1.823 14.004 424 HA3 GLY 59 1HA GLY 59 -9.099 1.720 15.658 425 H ASN 60 H ASN 60 -5.878 0.727 14.843 426 HA ASN 60 HA ASN 60 -4.711 2.580 16.711 427 HB2 ASN 60 2HB ASN 60 -3.989 0.192 16.404 428 HB3 ASN 60 1HB ASN 60 -3.345 0.645 14.830 429 HD21 ASN 60 1HD2 ASN 60 -2.276 0.025 17.845 430 HD22 ASN 60 2HD2 ASN 60 -0.979 1.115 17.947 431 H GLY 61 H GLY 61 -5.434 2.586 13.399 432 HA2 GLY 61 2HA GLY 61 -5.215 4.411 11.948 433 HA3 GLY 61 1HA GLY 61 -4.005 5.103 13.025 434 H THR 62 H THR 62 -3.496 1.802 12.437 435 HA THR 62 HA THR 62 -1.562 2.369 10.259 436 HB THR 62 HB THR 62 0.070 0.976 11.318 437 HG1 THR 62 1HG THR 62 -0.651 0.235 13.555 438 HG21 THR 62 3HG2 THR 62 -0.326 3.362 12.185 439 HG22 THR 62 1HG2 THR 62 0.602 2.282 13.225 440 HG23 THR 62 2HG2 THR 62 -1.096 2.603 13.578 441 H ILE 63 H ILE 63 -1.022 0.561 8.925 442 HA ILE 63 HA ILE 63 -3.214 -1.425 8.730 443 HB ILE 63 HB ILE 63 -1.174 -0.691 6.622 444 HG12 ILE 63 2HG1 ILE 63 -2.460 1.305 7.093 445 HG13 ILE 63 1HG1 ILE 63 -3.090 0.602 5.606 446 HG21 ILE 63 1HG2 ILE 63 -2.837 -1.741 5.117 447 HG22 ILE 63 2HG2 ILE 63 -3.827 -2.145 6.520 448 HG23 ILE 63 3HG2 ILE 63 -2.234 -2.877 6.324 449 HD11 ILE 63 3HD1 ILE 63 -5.033 1.081 6.830 450 HD12 ILE 63 1HD1 ILE 63 -4.301 0.591 8.356 451 HD13 ILE 63 2HD1 ILE 63 -4.772 -0.627 7.173 452 H ASP 64 H ASP 64 -2.807 -3.400 9.371 453 HA ASP 64 HA ASP 64 -0.125 -4.253 10.013 454 HB2 ASP 64 2HB ASP 64 -1.205 -6.257 10.890 455 HB3 ASP 64 1HB ASP 64 -2.040 -4.813 11.454 456 H PHE 65 H PHE 65 0.384 -6.617 9.458 457 HA PHE 65 HA PHE 65 1.107 -6.817 6.797 458 HB2 PHE 65 2HB PHE 65 0.955 -8.687 9.109 459 HB3 PHE 65 1HB PHE 65 1.071 -9.455 7.527 460 HD1 PHE 65 2HD PHE 65 2.483 -6.276 8.860 461 HD2 PHE 65 1HD PHE 65 3.284 -10.194 7.307 462 HE1 PHE 65 2HE PHE 65 4.907 -5.784 8.883 463 HE2 PHE 65 1HE PHE 65 5.710 -9.710 7.322 464 HZ PHE 65 HZ PHE 65 6.525 -7.500 8.107 465 HA PRO 66 HA PRO 66 -2.427 -9.991 5.856 466 HB2 PRO 66 2HB PRO 66 -4.602 -9.882 7.624 467 HB3 PRO 66 1HB PRO 66 -3.303 -11.090 7.670 468 HG2 PRO 66 2HG PRO 66 -3.624 -8.596 9.280 469 HG3 PRO 66 1HG PRO 66 -3.035 -10.193 9.777 470 HD2 PRO 66 2HD PRO 66 -1.330 -8.177 9.330 471 HD3 PRO 66 1HD PRO 66 -0.924 -9.846 8.880 472 H GLU 67 H GLU 67 -3.700 -7.132 7.545 473 HA GLU 67 HA GLU 67 -5.913 -6.596 6.000 474 HB2 GLU 67 2HB GLU 67 -3.956 -4.750 7.358 475 HB3 GLU 67 1HB GLU 67 -5.414 -4.153 6.564 476 HG2 GLU 67 2HG GLU 67 -6.808 -5.533 7.989 477 HG3 GLU 67 1HG GLU 67 -5.394 -6.274 8.729 478 H PHE 68 H PHE 68 -2.614 -5.386 5.446 479 HA PHE 68 HA PHE 68 -3.179 -4.028 3.053 480 HB2 PHE 68 2HB PHE 68 -1.124 -3.688 4.362 481 HB3 PHE 68 1HB PHE 68 -0.578 -5.303 3.909 482 HD1 PHE 68 2HD PHE 68 -0.287 -5.845 1.445 483 HD2 PHE 68 1HD PHE 68 -0.836 -1.842 2.886 484 HE1 PHE 68 2HE PHE 68 0.603 -4.964 -0.688 485 HE2 PHE 68 1HE PHE 68 0.053 -0.955 0.746 486 HZ PHE 68 HZ PHE 68 0.767 -2.519 -1.043 487 H LEU 69 H LEU 69 -1.875 -7.281 3.618 488 HA LEU 69 HA LEU 69 -1.531 -8.089 0.997 489 HB2 LEU 69 2HB LEU 69 -0.701 -9.485 2.686 490 HB3 LEU 69 1HB LEU 69 -2.258 -9.582 3.509 491 HG LEU 69 HG LEU 69 -2.174 -10.604 0.687 492 HD11 LEU 69 1HD1 LEU 69 -0.149 -11.615 1.366 493 HD12 LEU 69 2HD1 LEU 69 -1.372 -12.858 1.617 494 HD13 LEU 69 3HD1 LEU 69 -0.752 -11.940 2.990 495 HD21 LEU 69 3HD2 LEU 69 -3.888 -12.041 1.420 496 HD22 LEU 69 1HD2 LEU 69 -4.155 -10.628 2.439 497 HD23 LEU 69 2HD2 LEU 69 -3.322 -12.034 3.088 498 H THR 70 H THR 70 -4.496 -7.703 2.807 499 HA THR 70 HA THR 70 -6.088 -9.176 0.882 500 HB THR 70 HB THR 70 -6.926 -7.441 3.204 501 HG1 THR 70 1HG THR 70 -6.461 -9.099 4.387 502 HG21 THR 70 3HG2 THR 70 -9.015 -8.832 3.022 503 HG22 THR 70 1HG2 THR 70 -8.383 -9.486 1.511 504 HG23 THR 70 2HG2 THR 70 -8.750 -7.765 1.641 505 H MET 71 H MET 71 -6.496 -5.854 2.118 506 HA MET 71 HA MET 71 -8.087 -4.963 0.035 507 HB2 MET 71 2HB MET 71 -7.719 -2.748 0.807 508 HB3 MET 71 1HB MET 71 -7.651 -3.787 2.228 509 HG2 MET 71 2HG MET 71 -5.175 -3.820 2.034 510 HG3 MET 71 1HG MET 71 -5.269 -2.667 0.706 511 HE1 MET 71 3HE MET 71 -4.768 -2.923 4.526 512 HE2 MET 71 1HE MET 71 -6.373 -3.562 4.160 513 HE3 MET 71 2HE MET 71 -6.203 -2.103 5.132 514 H MET 72 H MET 72 -4.712 -5.602 -0.040 515 HA MET 72 HA MET 72 -4.228 -3.867 -2.337 516 HB2 MET 72 2HB MET 72 -1.974 -4.419 -2.148 517 HB3 MET 72 1HB MET 72 -2.538 -4.373 -0.485 518 HG2 MET 72 2HG MET 72 -1.356 -6.368 -0.526 519 HG3 MET 72 1HG MET 72 -2.979 -6.950 -0.871 520 HE1 MET 72 3HE MET 72 -0.632 -9.216 -2.822 521 HE2 MET 72 1HE MET 72 -2.380 -9.255 -2.560 522 HE3 MET 72 2HE MET 72 -1.297 -8.806 -1.244 523 H ALA 73 H ALA 73 -4.905 -7.233 -1.659 524 HA ALA 73 HA ALA 73 -4.081 -8.422 -4.054 525 HB1 ALA 73 1HB ALA 73 -6.331 -9.094 -2.150 526 HB2 ALA 73 2HB ALA 73 -4.714 -9.797 -2.192 527 HB3 ALA 73 3HB ALA 73 -5.856 -10.135 -3.495 528 H ARG 74 H ARG 74 -7.287 -7.123 -3.182 529 HA ARG 74 HA ARG 74 -8.480 -7.646 -5.698 530 HB2 ARG 74 2HB ARG 74 -9.242 -5.579 -3.612 531 HB3 ARG 74 1HB ARG 74 -10.281 -6.205 -4.894 532 HG2 ARG 74 2HG ARG 74 -10.192 -8.444 -3.958 533 HG3 ARG 74 1HG ARG 74 -9.009 -7.936 -2.751 534 HD2 ARG 74 2HD ARG 74 -11.111 -7.955 -1.627 535 HD3 ARG 74 1HD ARG 74 -10.755 -6.260 -1.943 536 HE ARG 74 HE ARG 74 -12.278 -7.337 -4.081 537 HH11 ARG 74 1HH2 ARG 74 -12.499 -6.405 -0.742 538 HH12 ARG 74 2HH2 ARG 74 -14.177 -5.987 -0.830 539 HH21 ARG 74 1HH1 ARG 74 -14.488 -6.788 -4.193 540 HH22 ARG 74 2HH1 ARG 74 -15.301 -6.203 -2.781 541 H LYS 75 H LYS 75 -6.287 -5.269 -4.608 542 HA LYS 75 HA LYS 75 -5.593 -3.233 -5.451 543 HB2 LYS 75 2HB LYS 75 -4.833 -5.277 -7.016 544 HB3 LYS 75 1HB LYS 75 -5.749 -4.373 -8.218 545 HG2 LYS 75 2HG LYS 75 -4.400 -2.373 -7.786 546 HG3 LYS 75 1HG LYS 75 -3.537 -3.199 -6.494 547 HD2 LYS 75 2HD LYS 75 -3.566 -4.233 -9.334 548 HD3 LYS 75 1HD LYS 75 -2.359 -3.082 -8.769 549 HE2 LYS 75 2HE LYS 75 -1.895 -4.775 -6.867 550 HE3 LYS 75 1HE LYS 75 -2.812 -5.923 -7.842 551 HZ1 LYS 75 3HZ LYS 75 -1.247 -5.971 -9.445 552 HZ2 LYS 75 1HZ LYS 75 -0.245 -5.637 -8.119 553 HZ3 LYS 75 2HZ LYS 75 -0.720 -4.380 -9.160 554 H MET 76 H MET 76 -6.117 -2.513 -8.329 555 HA MET 76 HA MET 76 -8.938 -1.667 -8.162 556 HB2 MET 76 2HB MET 76 -7.343 0.110 -7.272 557 HB3 MET 76 1HB MET 76 -6.712 0.236 -8.912 558 HG2 MET 76 2HG MET 76 -9.673 0.491 -8.332 559 HG3 MET 76 1HG MET 76 -8.584 1.870 -8.239 560 HE1 MET 76 3HE MET 76 -10.824 1.802 -11.589 561 HE2 MET 76 1HE MET 76 -10.926 2.024 -9.836 562 HE3 MET 76 2HE MET 76 -11.118 0.419 -10.538 563 H LYS 77 H LYS 77 -9.372 -3.173 -9.761 564 HA LYS 77 HA LYS 77 -8.725 -2.286 -12.477 565 HB2 LYS 77 2HB LYS 77 -8.087 -5.032 -11.374 566 HB3 LYS 77 1HB LYS 77 -8.284 -4.733 -13.100 567 HG2 LYS 77 2HG LYS 77 -6.493 -3.025 -13.006 568 HG3 LYS 77 1HG LYS 77 -6.292 -3.334 -11.283 569 HD2 LYS 77 2HD LYS 77 -5.717 -5.699 -11.792 570 HD3 LYS 77 1HD LYS 77 -5.861 -5.346 -13.513 571 HE2 LYS 77 2HE LYS 77 -3.942 -3.926 -11.634 572 HE3 LYS 77 1HE LYS 77 -3.492 -5.268 -12.682 573 HZ1 LYS 77 3HZ LYS 77 -4.768 -2.817 -13.733 574 HZ2 LYS 77 1HZ LYS 77 -3.912 -4.009 -14.586 575 HZ3 LYS 77 2HZ LYS 77 -3.084 -2.949 -13.549 576 H1 GLY 45 1HT GLY 45 -10.290 11.858 -8.936 577 H2 GLY 45 2HT GLY 45 -11.075 12.506 -7.575 578 H3 GLY 45 3HT GLY 45 -11.778 12.652 -9.114 579 HA2 GLY 45 2HA GLY 45 -12.987 10.897 -8.431 580 HA3 GLY 45 1HA GLY 45 -11.567 10.021 -9.005 581 H THR 46 H THR 46 -9.689 10.365 -7.158 582 HA THR 46 HA THR 46 -8.929 9.556 -5.152 583 HB THR 46 HB THR 46 -9.932 10.402 -3.194 584 HG1 THR 46 1HG THR 46 -12.059 9.473 -3.968 585 HG21 THR 46 3HG2 THR 46 -9.245 12.121 -4.985 586 HG22 THR 46 1HG2 THR 46 -10.277 12.692 -3.674 587 HG23 THR 46 2HG2 THR 46 -10.974 12.345 -5.256 588 H GLY 47 H GLY 47 -9.162 7.831 -3.614 589 HA2 GLY 47 2HA GLY 47 -11.264 6.216 -3.035 590 HA3 GLY 47 1HA GLY 47 -10.762 5.642 -4.622 591 H ALA 48 H ALA 48 -10.632 4.490 -1.815 592 HA ALA 48 HA ALA 48 -8.018 4.337 -0.854 593 HB1 ALA 48 1HB ALA 48 -9.955 2.036 -0.747 594 HB2 ALA 48 2HB ALA 48 -10.227 3.514 0.173 595 HB3 ALA 48 3HB ALA 48 -8.782 2.547 0.469 596 H ALA 49 H ALA 49 -9.670 2.001 -3.024 597 HA ALA 49 HA ALA 49 -7.446 0.310 -3.392 598 HB1 ALA 49 1HB ALA 49 -9.875 -0.151 -3.978 599 HB2 ALA 49 2HB ALA 49 -8.689 -0.675 -5.172 600 HB3 ALA 49 3HB ALA 49 -9.612 0.804 -5.436 601 H LEU 50 H LEU 50 -8.559 3.122 -5.214 602 HA LEU 50 HA LEU 50 -6.694 2.948 -7.330 603 HB2 LEU 50 2HB LEU 50 -8.746 4.324 -7.350 604 HB3 LEU 50 1HB LEU 50 -8.020 5.393 -6.153 605 HG LEU 50 HG LEU 50 -6.324 4.919 -8.567 606 HD11 LEU 50 1HD1 LEU 50 -8.548 5.028 -9.620 607 HD12 LEU 50 2HD1 LEU 50 -7.606 6.475 -9.985 608 HD13 LEU 50 3HD1 LEU 50 -8.883 6.535 -8.769 609 HD21 LEU 50 3HD2 LEU 50 -7.239 7.440 -7.133 610 HD22 LEU 50 1HD2 LEU 50 -5.959 7.350 -8.343 611 HD23 LEU 50 2HD2 LEU 50 -5.755 6.559 -6.779 612 H SER 51 H SER 51 -6.619 4.600 -4.204 613 HA SER 51 HA SER 51 -4.211 6.010 -4.523 614 HB2 SER 51 2HB SER 51 -4.235 6.225 -2.125 615 HB3 SER 51 1HB SER 51 -5.907 6.276 -2.671 616 HG SER 51 HG SER 51 -5.335 3.750 -2.329 617 H TRP 52 H TRP 52 -4.891 2.771 -3.278 618 HA TRP 52 HA TRP 52 -2.223 2.134 -2.588 619 HB2 TRP 52 2HB TRP 52 -4.687 0.484 -3.133 620 HB3 TRP 52 1HB TRP 52 -3.144 -0.270 -2.741 621 HD1 TRP 52 HD TRP 52 -6.163 0.793 -1.097 622 HE1 TRP 52 1HE TRP 52 -5.802 1.264 1.408 623 HE3 TRP 52 3HE TRP 52 -1.051 1.034 -0.959 624 HZ2 TRP 52 2HZ TRP 52 -3.646 1.675 3.237 625 HZ3 TRP 52 3HZ TRP 52 0.120 1.464 1.170 626 HH2 TRP 52 HH TRP 52 -1.152 1.790 3.263 627 H GLN 53 H GLN 53 -4.160 1.578 -5.504 628 HA GLN 53 HA GLN 53 -2.253 0.015 -6.891 629 HB2 GLN 53 2HB GLN 53 -4.624 0.135 -7.535 630 HB3 GLN 53 1HB GLN 53 -4.414 1.821 -8.006 631 HG2 GLN 53 2HG GLN 53 -2.639 -0.313 -9.193 632 HG3 GLN 53 1HG GLN 53 -4.255 -0.045 -9.843 633 HE21 GLN 53 1HE2 GLN 53 -4.628 2.616 -9.970 634 HE22 GLN 53 2HE2 GLN 53 -3.391 3.399 -10.830 635 H ALA 54 H ALA 54 -2.835 3.524 -6.816 636 HA ALA 54 HA ALA 54 -0.876 4.128 -8.815 637 HB1 ALA 54 1HB ALA 54 -1.238 6.432 -8.226 638 HB2 ALA 54 2HB ALA 54 -1.973 5.975 -6.690 639 HB3 ALA 54 3HB ALA 54 -2.799 5.612 -8.205 640 H ALA 55 H ALA 55 -0.839 3.975 -5.285 641 HA ALA 55 HA ALA 55 1.753 5.121 -4.960 642 HB1 ALA 55 1HB ALA 55 0.218 3.278 -3.115 643 HB2 ALA 55 2HB ALA 55 0.079 5.035 -3.151 644 HB3 ALA 55 3HB ALA 55 1.597 4.281 -2.666 645 H ILE 56 H ILE 56 0.591 1.751 -4.944 646 HA ILE 56 HA ILE 56 3.156 0.587 -4.578 647 HB ILE 56 HB ILE 56 0.916 -0.498 -4.154 648 HG12 ILE 56 2HG1 ILE 56 2.705 -2.102 -5.999 649 HG13 ILE 56 1HG1 ILE 56 3.138 -1.726 -4.333 650 HG21 ILE 56 1HG2 ILE 56 0.041 0.231 -6.450 651 HG22 ILE 56 2HG2 ILE 56 -0.342 -1.412 -5.944 652 HG23 ILE 56 3HG2 ILE 56 0.954 -1.128 -7.106 653 HD11 ILE 56 3HD1 ILE 56 0.509 -3.047 -5.018 654 HD12 ILE 56 1HD1 ILE 56 1.329 -2.984 -3.458 655 HD13 ILE 56 2HD1 ILE 56 1.977 -3.986 -4.755 656 H ASP 57 H ASP 57 1.186 1.242 -7.443 657 HA ASP 57 HA ASP 57 2.881 0.021 -9.341 658 HB2 ASP 57 2HB ASP 57 0.557 0.634 -9.828 659 HB3 ASP 57 1HB ASP 57 0.964 2.341 -9.663 660 H ALA 58 H ALA 58 2.765 3.284 -7.988 661 HA ALA 58 HA ALA 58 4.840 4.299 -9.717 662 HB1 ALA 58 1HB ALA 58 3.318 5.920 -8.908 663 HB2 ALA 58 2HB ALA 58 4.812 6.217 -8.021 664 HB3 ALA 58 3HB ALA 58 3.478 5.360 -7.245 665 H ALA 59 H ALA 59 4.685 3.369 -6.277 666 HA ALA 59 HA ALA 59 7.389 3.838 -5.665 667 HB1 ALA 59 1HB ALA 59 7.011 2.427 -3.720 668 HB2 ALA 59 2HB ALA 59 5.573 1.728 -4.467 669 HB3 ALA 59 3HB ALA 59 5.582 3.425 -3.990 670 H ARG 60 H ARG 60 5.726 0.920 -6.857 671 HA ARG 60 HA ARG 60 7.974 -0.780 -6.841 672 HB2 ARG 60 2HB ARG 60 5.627 -1.549 -6.980 673 HB3 ARG 60 1HB ARG 60 5.514 -0.861 -8.600 674 HG2 ARG 60 2HG ARG 60 7.264 -2.331 -9.404 675 HG3 ARG 60 1HG ARG 60 7.535 -2.962 -7.778 676 HD2 ARG 60 2HD ARG 60 6.151 -4.523 -8.964 677 HD3 ARG 60 1HD ARG 60 5.146 -3.729 -7.760 678 HE ARG 60 HE ARG 60 4.992 -2.280 -10.168 679 HH11 ARG 60 1HH2 ARG 60 4.090 -5.389 -8.867 680 HH12 ARG 60 2HH2 ARG 60 2.657 -5.510 -9.832 681 HH21 ARG 60 1HH1 ARG 60 3.128 -2.455 -11.415 682 HH22 ARG 60 2HH1 ARG 60 2.113 -3.852 -11.275 683 H GLN 61 H GLN 61 6.581 1.363 -9.323 684 HA GLN 61 HA GLN 61 8.146 0.617 -11.502 685 HB2 GLN 61 2HB GLN 61 6.275 2.220 -11.658 686 HB3 GLN 61 1HB GLN 61 7.214 3.406 -10.753 687 HG2 GLN 61 2HG GLN 61 8.892 3.491 -12.508 688 HG3 GLN 61 1HG GLN 61 8.090 2.191 -13.386 689 HE21 GLN 61 1HE2 GLN 61 8.518 4.725 -14.623 690 HE22 GLN 61 2HE2 GLN 61 7.015 5.483 -14.845 691 H ALA 62 H ALA 62 8.828 2.964 -8.925 692 HA ALA 62 HA ALA 62 11.377 3.762 -9.888 693 HB1 ALA 62 1HB ALA 62 10.097 5.058 -8.225 694 HB2 ALA 62 2HB ALA 62 11.711 4.667 -7.631 695 HB3 ALA 62 3HB ALA 62 10.315 3.760 -7.051 696 H LYS 63 H LYS 63 10.288 1.194 -7.718 697 HA LYS 63 HA LYS 63 12.834 0.362 -6.839 698 HB2 LYS 63 2HB LYS 63 10.797 -0.362 -5.707 699 HB3 LYS 63 1HB LYS 63 10.265 -1.216 -7.152 700 HG2 LYS 63 2HG LYS 63 11.239 -2.778 -5.529 701 HG3 LYS 63 1HG LYS 63 12.237 -2.716 -6.979 702 HD2 LYS 63 2HD LYS 63 13.912 -1.422 -5.918 703 HD3 LYS 63 1HD LYS 63 12.832 -0.928 -4.611 704 HE2 LYS 63 2HE LYS 63 13.849 -3.740 -5.096 705 HE3 LYS 63 1HE LYS 63 14.443 -2.635 -3.856 706 HZ1 LYS 63 3HZ LYS 63 11.719 -3.776 -4.094 707 HZ2 LYS 63 1HZ LYS 63 12.122 -2.528 -3.018 708 HZ3 LYS 63 2HZ LYS 63 12.850 -4.054 -2.857 709 H LEU 64 H LEU 64 10.817 -0.669 -9.567 710 HA LEU 64 HA LEU 64 12.469 -2.748 -10.464 711 HB2 LEU 64 2HB LEU 64 10.192 -2.549 -11.262 712 HB3 LEU 64 1HB LEU 64 10.532 -0.975 -11.974 713 HG LEU 64 HG LEU 64 12.077 -1.990 -13.580 714 HD11 LEU 64 1HD1 LEU 64 13.107 -3.780 -12.444 715 HD12 LEU 64 2HD1 LEU 64 12.066 -4.604 -13.603 716 HD13 LEU 64 3HD1 LEU 64 11.567 -4.459 -11.917 717 HD21 LEU 64 3HD2 LEU 64 10.478 -3.302 -14.872 718 HD22 LEU 64 1HD2 LEU 64 9.633 -1.965 -14.093 719 HD23 LEU 64 2HD2 LEU 64 9.507 -3.595 -13.430 720 H MET 65 H MET 65 12.393 0.699 -11.315 721 HA MET 65 HA MET 65 14.391 0.557 -13.324 722 HB2 MET 65 2HB MET 65 13.189 2.772 -11.681 723 HB3 MET 65 1HB MET 65 14.582 3.102 -12.711 724 HG2 MET 65 2HG MET 65 12.348 3.501 -13.822 725 HG3 MET 65 1HG MET 65 13.393 2.369 -14.678 726 HE1 MET 65 3HE MET 65 12.218 0.624 -15.865 727 HE2 MET 65 1HE MET 65 11.022 1.926 -15.897 728 HE3 MET 65 2HE MET 65 10.515 0.269 -15.588 729 H GLY 66 H GLY 66 14.531 1.086 -9.832 730 HA2 GLY 66 2HA GLY 66 16.312 0.736 -8.388 731 HA3 GLY 66 1HA GLY 66 17.306 0.300 -9.773 732 H SER 67 H SER 67 15.610 3.323 -9.913 733 HA SER 67 HA SER 67 16.458 5.458 -10.190 734 HB2 SER 67 2HB SER 67 18.008 4.802 -7.683 735 HB3 SER 67 1HB SER 67 17.391 6.370 -8.196 736 HG SER 67 HG SER 67 15.352 4.702 -8.164 737 H ALA 68 H ALA 68 17.974 3.311 -11.483 738 HA ALA 68 HA ALA 68 20.491 4.774 -11.891 739 HB1 ALA 68 1HB ALA 68 20.798 2.871 -10.191 740 HB2 ALA 68 2HB ALA 68 21.880 2.882 -11.583 741 HB3 ALA 68 3HB ALA 68 20.506 1.776 -11.542 Start of MODEL 11 1 H1 ALA 1 1HT ALA 1 -13.427 -15.330 -6.040 2 H2 ALA 1 2HT ALA 1 -12.366 -15.307 -7.371 3 H3 ALA 1 3HT ALA 1 -11.853 -14.727 -5.857 4 HA ALA 1 HA ALA 1 -12.793 -17.480 -5.916 5 HB1 ALA 1 2HB ALA 1 -10.086 -16.677 -7.018 6 HB2 ALA 1 3HB ALA 1 -11.429 -17.256 -8.007 7 HB3 ALA 1 1HB ALA 1 -10.692 -18.321 -6.809 8 H ASP 2 H ASP 2 -10.898 -14.782 -4.925 9 HA ASP 2 HA ASP 2 -9.727 -14.306 -3.013 10 HB2 ASP 2 2HB ASP 2 -11.700 -16.379 -2.034 11 HB3 ASP 2 1HB ASP 2 -10.618 -15.510 -0.951 12 H GLN 3 H GLN 3 -8.569 -16.194 -4.818 13 HA GLN 3 HA GLN 3 -6.976 -17.862 -2.948 14 HB2 GLN 3 2HB GLN 3 -8.395 -19.239 -4.422 15 HB3 GLN 3 1HB GLN 3 -7.691 -18.451 -5.833 16 HG2 GLN 3 2HG GLN 3 -5.463 -19.293 -5.211 17 HG3 GLN 3 1HG GLN 3 -6.144 -20.052 -3.774 18 HE21 GLN 3 1HE2 GLN 3 -6.525 -22.241 -4.076 19 HE22 GLN 3 2HE2 GLN 3 -6.950 -22.964 -5.552 20 H LEU 4 H LEU 4 -5.063 -16.949 -2.717 21 HA LEU 4 HA LEU 4 -3.859 -15.347 -4.844 22 HB2 LEU 4 2HB LEU 4 -2.323 -14.559 -3.190 23 HB3 LEU 4 1HB LEU 4 -3.920 -14.565 -2.454 24 HG LEU 4 HG LEU 4 -1.752 -16.658 -2.036 25 HD11 LEU 4 1HD1 LEU 4 -1.610 -15.803 0.171 26 HD12 LEU 4 2HD1 LEU 4 -2.989 -14.733 -0.083 27 HD13 LEU 4 3HD1 LEU 4 -1.470 -14.438 -0.937 28 HD21 LEU 4 3HD2 LEU 4 -3.449 -17.407 -0.231 29 HD22 LEU 4 1HD2 LEU 4 -3.794 -17.847 -1.900 30 HD23 LEU 4 2HD2 LEU 4 -4.636 -16.487 -1.155 31 H THR 5 H THR 5 -1.123 -15.937 -3.734 32 HA THR 5 HA THR 5 -0.512 -18.667 -4.215 33 HB THR 5 HB THR 5 -1.006 -18.209 -6.508 34 HG1 THR 5 1HG THR 5 1.074 -19.228 -5.889 35 HG21 THR 5 3HG2 THR 5 0.304 -16.320 -7.647 36 HG22 THR 5 1HG2 THR 5 0.625 -15.720 -6.020 37 HG23 THR 5 2HG2 THR 5 -1.033 -15.844 -6.603 38 H GLU 6 H GLU 6 1.966 -18.917 -4.546 39 HA GLU 6 HA GLU 6 3.350 -17.822 -2.447 40 HB2 GLU 6 2HB GLU 6 4.060 -19.708 -4.004 41 HB3 GLU 6 1HB GLU 6 4.621 -18.459 -5.110 42 HG2 GLU 6 2HG GLU 6 6.524 -19.106 -3.814 43 HG3 GLU 6 1HG GLU 6 6.012 -17.538 -3.193 44 H GLU 7 H GLU 7 3.630 -16.744 -5.793 45 HA GLU 7 HA GLU 7 5.218 -14.536 -5.502 46 HB2 GLU 7 2HB GLU 7 2.968 -13.876 -7.261 47 HB3 GLU 7 1HB GLU 7 4.654 -14.182 -7.683 48 HG2 GLU 7 2HG GLU 7 4.243 -16.605 -7.588 49 HG3 GLU 7 1HG GLU 7 2.567 -16.310 -7.128 50 H GLN 8 H GLN 8 1.643 -14.436 -5.320 51 HA GLN 8 HA GLN 8 1.186 -11.838 -4.747 52 HB2 GLN 8 2HB GLN 8 -0.124 -14.354 -3.833 53 HB3 GLN 8 1HB GLN 8 -0.747 -12.804 -3.276 54 HG2 GLN 8 2HG GLN 8 -0.328 -13.512 -6.190 55 HG3 GLN 8 1HG GLN 8 -1.858 -13.723 -5.341 56 HE21 GLN 8 1HE2 GLN 8 -0.531 -11.667 -7.458 57 HE22 GLN 8 2HE2 GLN 8 -1.192 -10.196 -6.933 58 H ILE 9 H ILE 9 1.696 -14.299 -2.133 59 HA ILE 9 HA ILE 9 1.563 -12.425 -0.071 60 HB ILE 9 HB ILE 9 2.934 -14.146 1.235 61 HG12 ILE 9 2HG1 ILE 9 2.583 -15.700 -1.340 62 HG13 ILE 9 1HG1 ILE 9 4.120 -15.031 -0.799 63 HG21 ILE 9 1HG2 ILE 9 0.388 -14.086 0.975 64 HG22 ILE 9 2HG2 ILE 9 1.082 -15.662 1.357 65 HG23 ILE 9 3HG2 ILE 9 0.588 -15.294 -0.295 66 HD11 ILE 9 3HD1 ILE 9 4.038 -16.399 1.211 67 HD12 ILE 9 1HD1 ILE 9 3.869 -17.408 -0.221 68 HD13 ILE 9 2HD1 ILE 9 2.451 -17.024 0.749 69 H ALA 10 H ALA 10 4.446 -13.619 -1.813 70 HA ALA 10 HA ALA 10 6.321 -12.080 -0.382 71 HB1 ALA 10 1HB ALA 10 7.091 -13.908 -1.722 72 HB2 ALA 10 2HB ALA 10 7.737 -12.437 -2.453 73 HB3 ALA 10 3HB ALA 10 6.339 -13.237 -3.167 74 H GLU 11 H GLU 11 4.319 -11.439 -3.182 75 HA GLU 11 HA GLU 11 5.460 -9.038 -4.069 76 HB2 GLU 11 2HB GLU 11 3.619 -10.498 -5.150 77 HB3 GLU 11 1HB GLU 11 2.494 -9.589 -4.145 78 HG2 GLU 11 2HG GLU 11 4.478 -8.307 -6.048 79 HG3 GLU 11 1HG GLU 11 2.794 -8.632 -6.449 80 H PHE 12 H PHE 12 2.779 -9.558 -1.742 81 HA PHE 12 HA PHE 12 2.362 -6.817 -1.229 82 HB2 PHE 12 2HB PHE 12 0.596 -7.721 -0.143 83 HB3 PHE 12 1HB PHE 12 1.277 -9.316 -0.410 84 HD1 PHE 12 1HD PHE 12 1.641 -6.360 1.864 85 HD2 PHE 12 2HD PHE 12 1.853 -10.626 1.438 86 HE1 PHE 12 1HE PHE 12 2.071 -6.578 4.290 87 HE2 PHE 12 2HE PHE 12 2.291 -10.842 3.861 88 HZ PHE 12 HZ PHE 12 2.394 -8.819 5.291 89 H LYS 13 H LYS 13 4.484 -9.229 0.243 90 HA LYS 13 HA LYS 13 5.329 -7.785 2.459 91 HB2 LYS 13 2HB LYS 13 5.862 -10.159 2.061 92 HB3 LYS 13 1HB LYS 13 6.947 -9.689 0.751 93 HG2 LYS 13 2HG LYS 13 7.389 -8.371 3.401 94 HG3 LYS 13 1HG LYS 13 7.815 -10.074 3.284 95 HD2 LYS 13 2HD LYS 13 9.532 -9.702 1.760 96 HD3 LYS 13 1HD LYS 13 8.774 -8.273 1.079 97 HE2 LYS 13 2HE LYS 13 10.710 -7.581 2.330 98 HE3 LYS 13 1HE LYS 13 9.279 -7.083 3.230 99 HZ1 LYS 13 3HZ LYS 13 9.583 -8.719 4.792 100 HZ2 LYS 13 1HZ LYS 13 11.191 -8.322 4.429 101 HZ3 LYS 13 2HZ LYS 13 10.488 -9.716 3.750 102 H GLU 14 H GLU 14 6.593 -7.829 -0.866 103 HA GLU 14 HA GLU 14 8.762 -6.074 -0.497 104 HB2 GLU 14 2HB GLU 14 7.013 -6.603 -2.910 105 HB3 GLU 14 1HB GLU 14 8.492 -5.647 -2.969 106 HG2 GLU 14 2HG GLU 14 9.810 -7.550 -2.218 107 HG3 GLU 14 1HG GLU 14 8.355 -8.517 -1.995 108 H ALA 15 H ALA 15 5.467 -5.385 -1.709 109 HA ALA 15 HA ALA 15 5.718 -2.607 -1.857 110 HB1 ALA 15 1HB ALA 15 3.135 -3.919 -1.041 111 HB2 ALA 15 2HB ALA 15 3.810 -4.200 -2.646 112 HB3 ALA 15 3HB ALA 15 3.395 -2.562 -2.141 113 H PHE 16 H PHE 16 4.840 -4.701 0.854 114 HA PHE 16 HA PHE 16 4.114 -2.701 2.674 115 HB2 PHE 16 2HB PHE 16 3.571 -4.725 3.580 116 HB3 PHE 16 1HB PHE 16 4.911 -5.543 2.794 117 HD1 PHE 16 2HD PHE 16 4.152 -3.156 5.595 118 HD2 PHE 16 1HD PHE 16 6.802 -6.154 4.026 119 HE1 PHE 16 2HE PHE 16 5.464 -3.110 7.700 120 HE2 PHE 16 1HE PHE 16 8.109 -6.100 6.125 121 HZ PHE 16 HZ PHE 16 7.445 -4.578 7.951 122 H SER 17 H SER 17 7.263 -4.287 2.223 123 HA SER 17 HA SER 17 8.711 -2.875 4.120 124 HB2 SER 17 2HB SER 17 9.409 -4.361 1.623 125 HB3 SER 17 1HB SER 17 10.656 -3.325 2.319 126 HG SER 17 HG SER 17 10.474 -5.589 3.080 127 H LEU 18 H LEU 18 7.735 -1.917 0.878 128 HA LEU 18 HA LEU 18 9.483 0.340 0.690 129 HB2 LEU 18 2HB LEU 18 6.903 -0.331 -0.728 130 HB3 LEU 18 1HB LEU 18 7.919 1.053 -1.134 131 HG LEU 18 HG LEU 18 8.853 -1.835 -1.142 132 HD11 LEU 18 1HD1 LEU 18 8.623 -1.834 -3.503 133 HD12 LEU 18 2HD1 LEU 18 8.393 -0.089 -3.560 134 HD13 LEU 18 3HD1 LEU 18 7.122 -1.122 -2.912 135 HD21 LEU 18 3HD2 LEU 18 10.681 -0.584 -2.645 136 HD22 LEU 18 1HD2 LEU 18 10.836 -0.641 -0.891 137 HD23 LEU 18 2HD2 LEU 18 10.193 0.803 -1.669 138 H PHE 19 H PHE 19 6.136 -0.061 1.770 139 HA PHE 19 HA PHE 19 5.702 2.727 2.178 140 HB2 PHE 19 2HB PHE 19 4.247 0.330 3.275 141 HB3 PHE 19 1HB PHE 19 3.690 1.994 3.424 142 HD1 PHE 19 1HD PHE 19 3.785 3.339 1.050 143 HD2 PHE 19 2HD PHE 19 3.347 -0.900 1.519 144 HE1 PHE 19 1HE PHE 19 2.774 3.191 -1.205 145 HE2 PHE 19 2HE PHE 19 2.339 -1.054 -0.715 146 HZ PHE 19 HZ PHE 19 2.049 0.991 -2.096 147 H ASP 20 H ASP 20 6.197 0.083 4.537 148 HA ASP 20 HA ASP 20 6.242 1.674 6.819 149 HB2 ASP 20 2HB ASP 20 6.310 -0.885 6.620 150 HB3 ASP 20 1HB ASP 20 8.054 -0.706 6.447 151 H LYS 21 H LYS 21 7.323 3.643 6.225 152 HA LYS 21 HA LYS 21 10.033 3.717 5.379 153 HB2 LYS 21 2HB LYS 21 8.418 5.822 6.835 154 HB3 LYS 21 1HB LYS 21 9.989 6.098 6.094 155 HG2 LYS 21 2HG LYS 21 7.469 5.234 4.644 156 HG3 LYS 21 1HG LYS 21 8.180 6.846 4.608 157 HD2 LYS 21 2HD LYS 21 10.339 5.515 3.795 158 HD3 LYS 21 1HD LYS 21 9.151 4.315 3.309 159 HE2 LYS 21 2HE LYS 21 7.944 6.407 2.233 160 HE3 LYS 21 1HE LYS 21 9.562 7.099 2.287 161 HZ1 LYS 21 3HZ LYS 21 8.866 4.491 1.046 162 HZ2 LYS 21 1HZ LYS 21 10.406 5.203 1.077 163 HZ3 LYS 21 2HZ LYS 21 9.149 5.939 0.202 164 H ASP 22 H ASP 22 8.623 4.367 8.603 165 HA ASP 22 HA ASP 22 11.092 4.578 9.942 166 HB2 ASP 22 2HB ASP 22 9.745 4.231 11.990 167 HB3 ASP 22 1HB ASP 22 8.990 5.391 10.900 168 H GLY 23 H GLY 23 9.383 1.865 8.711 169 HA2 GLY 23 2HA GLY 23 9.872 -0.375 8.683 170 HA3 GLY 23 1HA GLY 23 11.471 0.056 9.273 171 H ASP 24 H ASP 24 8.323 0.569 10.874 172 HA ASP 24 HA ASP 24 9.377 -0.772 13.255 173 HB2 ASP 24 2HB ASP 24 7.583 0.213 14.445 174 HB3 ASP 24 1HB ASP 24 8.150 1.447 13.325 175 H GLY 25 H GLY 25 7.700 -1.697 10.532 176 HA2 GLY 25 2HA GLY 25 7.108 -4.004 10.189 177 HA3 GLY 25 1HA GLY 25 6.674 -4.118 11.893 178 H THR 26 H THR 26 5.546 -1.210 10.845 179 HA THR 26 HA THR 26 2.988 -2.242 9.790 180 HB THR 26 HB THR 26 1.908 -0.487 11.407 181 HG1 THR 26 1HG THR 26 3.619 -1.035 13.354 182 HG21 THR 26 3HG2 THR 26 1.547 -2.930 11.515 183 HG22 THR 26 1HG2 THR 26 1.632 -2.210 13.123 184 HG23 THR 26 2HG2 THR 26 3.017 -3.095 12.479 185 H ILE 27 H ILE 27 1.684 -0.577 8.785 186 HA ILE 27 HA ILE 27 3.346 1.656 7.754 187 HB ILE 27 HB ILE 27 0.902 0.332 6.573 188 HG12 ILE 27 2HG1 ILE 27 3.746 0.382 5.551 189 HG13 ILE 27 1HG1 ILE 27 3.097 -0.939 6.524 190 HG21 ILE 27 1HG2 ILE 27 1.489 1.755 4.602 191 HG22 ILE 27 2HG2 ILE 27 2.643 2.613 5.618 192 HG23 ILE 27 3HG2 ILE 27 0.918 2.679 5.986 193 HD11 ILE 27 3HD1 ILE 27 1.898 0.016 3.901 194 HD12 ILE 27 1HD1 ILE 27 1.354 -1.361 4.863 195 HD13 ILE 27 2HD1 ILE 27 2.932 -1.401 4.083 196 H THR 28 H THR 28 2.607 3.735 7.942 197 HA THR 28 HA THR 28 -0.017 4.165 9.252 198 HB THR 28 HB THR 28 2.012 4.328 10.818 199 HG1 THR 28 1HG THR 28 1.115 6.236 11.744 200 HG21 THR 28 3HG2 THR 28 3.461 6.171 10.664 201 HG22 THR 28 1HG2 THR 28 2.390 7.039 9.563 202 HG23 THR 28 2HG2 THR 28 3.305 5.651 8.989 203 H THR 29 H THR 29 -0.284 6.748 9.310 204 HA THR 29 HA THR 29 -0.885 7.513 6.676 205 HB THR 29 HB THR 29 -1.354 9.716 7.633 206 HG1 THR 29 1HG THR 29 -0.048 8.660 9.920 207 HG21 THR 29 3HG2 THR 29 -3.199 8.448 8.177 208 HG22 THR 29 1HG2 THR 29 -2.607 8.734 9.811 209 HG23 THR 29 2HG2 THR 29 -2.248 7.212 9.000 210 H LYS 30 H LYS 30 1.766 8.496 8.819 211 HA LYS 30 HA LYS 30 2.975 10.327 7.027 212 HB2 LYS 30 2HB LYS 30 4.053 8.796 9.397 213 HB3 LYS 30 1HB LYS 30 4.978 10.021 8.528 214 HG2 LYS 30 2HG LYS 30 3.306 11.717 9.036 215 HG3 LYS 30 1HG LYS 30 2.255 10.507 9.771 216 HD2 LYS 30 2HD LYS 30 3.358 11.578 11.595 217 HD3 LYS 30 1HD LYS 30 4.161 10.022 11.399 218 HE2 LYS 30 2HE LYS 30 6.052 11.007 10.348 219 HE3 LYS 30 1HE LYS 30 5.206 12.528 10.065 220 HZ1 LYS 30 3HZ LYS 30 6.615 12.857 11.906 221 HZ2 LYS 30 1HZ LYS 30 6.121 11.417 12.653 222 HZ3 LYS 30 2HZ LYS 30 5.042 12.727 12.538 223 H GLU 31 H GLU 31 3.687 6.907 7.755 224 HA GLU 31 HA GLU 31 5.927 6.573 6.122 225 HB2 GLU 31 2HB GLU 31 3.713 4.690 6.951 226 HB3 GLU 31 1HB GLU 31 5.053 4.153 5.947 227 HG2 GLU 31 2HG GLU 31 6.652 4.591 7.627 228 HG3 GLU 31 1HG GLU 31 5.554 5.603 8.551 229 H LEU 32 H LEU 32 2.553 5.747 5.297 230 HA LEU 32 HA LEU 32 3.040 5.330 2.559 231 HB2 LEU 32 2HB LEU 32 1.086 4.417 3.471 232 HB3 LEU 32 1HB LEU 32 0.556 5.943 4.162 233 HG LEU 32 HG LEU 32 0.231 6.801 1.803 234 HD11 LEU 32 1HD1 LEU 32 1.795 5.318 0.661 235 HD12 LEU 32 2HD1 LEU 32 0.176 5.069 0.013 236 HD13 LEU 32 3HD1 LEU 32 0.860 3.908 1.152 237 HD21 LEU 32 3HD2 LEU 32 -1.796 5.467 1.364 238 HD22 LEU 32 1HD2 LEU 32 -1.658 5.886 3.071 239 HD23 LEU 32 2HD2 LEU 32 -1.253 4.259 2.528 240 H GLY 33 H GLY 33 1.866 8.173 4.327 241 HA2 GLY 33 2HA GLY 33 1.268 9.872 2.250 242 HA3 GLY 33 1HA GLY 33 1.956 10.417 3.775 243 H THR 34 H THR 34 4.453 9.223 3.667 244 HA THR 34 HA THR 34 5.921 11.052 2.139 245 HB THR 34 HB THR 34 6.893 8.339 3.050 246 HG1 THR 34 1HG THR 34 6.866 10.770 4.500 247 HG21 THR 34 3HG2 THR 34 8.258 11.005 2.581 248 HG22 THR 34 1HG2 THR 34 8.477 9.529 1.643 249 HG23 THR 34 2HG2 THR 34 9.037 9.601 3.313 250 H VAL 35 H VAL 35 5.232 7.568 1.513 251 HA VAL 35 HA VAL 35 6.545 7.428 -0.954 252 HB VAL 35 HB VAL 35 4.135 5.890 0.053 253 HG11 VAL 35 1HG1 VAL 35 6.080 5.389 -2.220 254 HG12 VAL 35 2HG1 VAL 35 4.328 5.576 -2.335 255 HG13 VAL 35 3HG1 VAL 35 5.018 4.147 -1.562 256 HG21 VAL 35 3HG2 VAL 35 7.119 5.530 0.322 257 HG22 VAL 35 1HG2 VAL 35 6.015 4.170 0.468 258 HG23 VAL 35 2HG2 VAL 35 5.894 5.519 1.595 259 H MET 36 H MET 36 3.231 8.326 -0.107 260 HA MET 36 HA MET 36 2.264 8.452 -2.803 261 HB2 MET 36 2HB MET 36 1.233 9.727 -0.262 262 HB3 MET 36 1HB MET 36 0.384 9.779 -1.811 263 HG2 MET 36 2HG MET 36 0.471 7.272 -1.872 264 HG3 MET 36 1HG MET 36 1.170 7.307 -0.257 265 HE1 MET 36 3HE MET 36 -2.117 6.630 -1.969 266 HE2 MET 36 1HE MET 36 -1.584 8.213 -2.555 267 HE3 MET 36 2HE MET 36 -3.074 8.070 -1.627 268 H ARG 37 H ARG 37 3.641 10.880 -0.613 269 HA ARG 37 HA ARG 37 3.264 13.055 -2.469 270 HB2 ARG 37 2HB ARG 37 3.341 13.418 -0.039 271 HB3 ARG 37 1HB ARG 37 5.036 12.918 -0.029 272 HG2 ARG 37 2HG ARG 37 5.664 14.754 -1.455 273 HG3 ARG 37 1HG ARG 37 3.978 15.169 -1.761 274 HD2 ARG 37 2HD ARG 37 3.654 15.795 0.539 275 HD3 ARG 37 1HD ARG 37 5.267 15.228 0.962 276 HE ARG 37 HE ARG 37 5.546 17.142 -1.072 277 HH11 ARG 37 1HH2 ARG 37 4.458 16.934 2.221 278 HH12 ARG 37 2HH2 ARG 37 4.898 18.563 2.606 279 HH21 ARG 37 1HH1 ARG 37 6.116 19.271 -0.566 280 HH22 ARG 37 2HH1 ARG 37 5.839 19.887 1.026 281 H SER 38 H SER 38 6.115 11.239 -1.335 282 HA SER 38 HA SER 38 8.085 12.426 -2.849 283 HB2 SER 38 2HB SER 38 7.832 9.469 -2.264 284 HB3 SER 38 1HB SER 38 9.312 10.310 -2.711 285 HG SER 38 HG SER 38 7.714 11.014 -0.476 286 H LEU 39 H LEU 39 5.502 10.355 -3.931 287 HA LEU 39 HA LEU 39 6.747 9.884 -6.535 288 HB2 LEU 39 2HB LEU 39 4.107 9.064 -5.326 289 HB3 LEU 39 1HB LEU 39 4.605 8.645 -6.965 290 HG LEU 39 HG LEU 39 6.317 8.006 -4.545 291 HD11 LEU 39 1HD1 LEU 39 5.354 5.814 -4.441 292 HD12 LEU 39 2HD1 LEU 39 4.417 6.083 -5.908 293 HD13 LEU 39 3HD1 LEU 39 3.999 6.943 -4.427 294 HD21 LEU 39 3HD2 LEU 39 7.056 6.152 -6.229 295 HD22 LEU 39 1HD2 LEU 39 7.630 7.793 -6.509 296 HD23 LEU 39 2HD2 LEU 39 6.283 7.160 -7.451 297 H GLY 40 H GLY 40 4.763 12.213 -5.043 298 HA2 GLY 40 2HA GLY 40 4.205 14.273 -6.068 299 HA3 GLY 40 1HA GLY 40 4.281 13.497 -7.644 300 H GLN 41 H GLN 41 2.541 11.811 -5.171 301 HA GLN 41 HA GLN 41 0.031 12.379 -6.598 302 HB2 GLN 41 2HB GLN 41 0.954 9.992 -6.006 303 HB3 GLN 41 1HB GLN 41 0.304 10.333 -4.408 304 HG2 GLN 41 2HG GLN 41 -1.922 10.585 -5.263 305 HG3 GLN 41 1HG GLN 41 -1.359 10.606 -6.929 306 HE21 GLN 41 1HE2 GLN 41 -1.732 8.667 -7.961 307 HE22 GLN 41 2HE2 GLN 41 -1.752 7.146 -7.210 308 H ASN 42 H ASN 42 -1.950 12.201 -5.008 309 HA ASN 42 HA ASN 42 -2.433 14.486 -3.755 310 HB2 ASN 42 2HB ASN 42 -3.294 11.906 -2.482 311 HB3 ASN 42 1HB ASN 42 -4.157 13.442 -2.524 312 HD21 ASN 42 1HD2 ASN 42 -4.682 14.244 -4.863 313 HD22 ASN 42 2HD2 ASN 42 -5.141 13.054 -5.985 314 HA PRO 43 HA PRO 43 0.735 14.141 -0.454 315 HB2 PRO 43 2HB PRO 43 1.012 16.836 0.001 316 HB3 PRO 43 1HB PRO 43 1.823 15.987 -1.327 317 HG2 PRO 43 2HG PRO 43 -0.580 17.731 -1.392 318 HG3 PRO 43 1HG PRO 43 0.690 17.511 -2.608 319 HD2 PRO 43 2HD PRO 43 -1.839 16.342 -2.714 320 HD3 PRO 43 1HD PRO 43 -0.429 15.762 -3.618 321 H THR 44 H THR 44 -2.405 15.488 -0.454 322 HA THR 44 HA THR 44 -2.642 16.413 2.184 323 HB THR 44 HB THR 44 -4.489 17.026 0.941 324 HG1 THR 44 1HG THR 44 -5.352 14.526 1.962 325 HG21 THR 44 3HG2 THR 44 -5.662 15.412 -0.610 326 HG22 THR 44 1HG2 THR 44 -4.383 14.249 -0.269 327 HG23 THR 44 2HG2 THR 44 -3.999 15.776 -1.062 328 H GLU 45 H GLU 45 -2.620 15.411 4.061 329 HA GLU 45 HA GLU 45 -2.455 12.515 4.194 330 HB2 GLU 45 2HB GLU 45 -0.960 13.798 5.597 331 HB3 GLU 45 1HB GLU 45 -2.314 14.659 6.326 332 HG2 GLU 45 2HG GLU 45 -3.135 12.646 7.352 333 HG3 GLU 45 1HG GLU 45 -1.964 11.655 6.480 334 H ALA 46 H ALA 46 -4.627 15.045 5.377 335 HA ALA 46 HA ALA 46 -6.447 13.750 6.908 336 HB1 ALA 46 1HB ALA 46 -8.162 15.258 6.067 337 HB2 ALA 46 2HB ALA 46 -7.246 15.520 4.583 338 HB3 ALA 46 3HB ALA 46 -6.626 16.125 6.118 339 H GLU 47 H GLU 47 -6.346 13.648 3.365 340 HA GLU 47 HA GLU 47 -8.516 11.915 2.933 341 HB2 GLU 47 2HB GLU 47 -5.995 12.541 1.406 342 HB3 GLU 47 1HB GLU 47 -7.123 11.320 0.817 343 HG2 GLU 47 2HG GLU 47 -8.950 13.009 0.877 344 HG3 GLU 47 1HG GLU 47 -7.794 14.217 1.431 345 H LEU 48 H LEU 48 -5.042 11.168 3.122 346 HA LEU 48 HA LEU 48 -5.187 8.375 2.956 347 HB2 LEU 48 2HB LEU 48 -3.291 10.312 4.228 348 HB3 LEU 48 1HB LEU 48 -3.052 8.591 4.530 349 HG LEU 48 HG LEU 48 -2.795 8.147 2.174 350 HD11 LEU 48 1HD1 LEU 48 -2.859 10.197 0.584 351 HD12 LEU 48 2HD1 LEU 48 -3.772 10.985 1.868 352 HD13 LEU 48 3HD1 LEU 48 -4.401 9.524 1.111 353 HD21 LEU 48 3HD2 LEU 48 -0.934 9.876 1.608 354 HD22 LEU 48 1HD2 LEU 48 -0.718 8.870 3.040 355 HD23 LEU 48 2HD2 LEU 48 -1.259 10.540 3.208 356 H GLN 49 H GLN 49 -5.171 10.411 5.893 357 HA GLN 49 HA GLN 49 -5.473 8.436 7.809 358 HB2 GLN 49 2HB GLN 49 -6.460 11.277 7.655 359 HB3 GLN 49 1HB GLN 49 -6.810 10.275 9.060 360 HG2 GLN 49 2HG GLN 49 -4.514 9.994 9.564 361 HG3 GLN 49 1HG GLN 49 -4.007 10.625 8.001 362 HE21 GLN 49 1HE2 GLN 49 -3.335 11.635 10.773 363 HE22 GLN 49 2HE2 GLN 49 -3.842 13.255 10.791 364 H ASP 50 H ASP 50 -7.793 9.684 5.547 365 HA ASP 50 HA ASP 50 -10.086 8.513 6.873 366 HB2 ASP 50 2HB ASP 50 -10.046 10.560 5.315 367 HB3 ASP 50 1HB ASP 50 -9.981 9.392 3.996 368 H MET 51 H MET 51 -8.150 7.743 3.973 369 HA MET 51 HA MET 51 -9.597 5.413 3.254 370 HB2 MET 51 2HB MET 51 -6.740 6.224 2.675 371 HB3 MET 51 1HB MET 51 -7.565 4.864 1.914 372 HG2 MET 51 2HG MET 51 -9.249 6.352 0.975 373 HG3 MET 51 1HG MET 51 -8.551 7.731 1.825 374 HE1 MET 51 3HE MET 51 -8.297 9.178 -0.078 375 HE2 MET 51 1HE MET 51 -9.015 8.040 -1.227 376 HE3 MET 51 2HE MET 51 -7.487 8.833 -1.605 377 H ILE 52 H ILE 52 -6.645 5.890 5.186 378 HA ILE 52 HA ILE 52 -6.161 3.142 5.663 379 HB ILE 52 HB ILE 52 -5.347 5.616 7.228 380 HG12 ILE 52 2HG1 ILE 52 -4.050 3.891 5.098 381 HG13 ILE 52 1HG1 ILE 52 -4.329 5.630 5.070 382 HG21 ILE 52 1HG2 ILE 52 -4.212 2.805 7.484 383 HG22 ILE 52 2HG2 ILE 52 -5.365 3.478 8.633 384 HG23 ILE 52 3HG2 ILE 52 -3.779 4.215 8.447 385 HD11 ILE 52 3HD1 ILE 52 -2.271 4.079 6.635 386 HD12 ILE 52 1HD1 ILE 52 -2.767 5.696 7.143 387 HD13 ILE 52 2HD1 ILE 52 -2.031 5.457 5.557 388 H ASN 53 H ASN 53 -7.952 5.614 7.455 389 HA ASN 53 HA ASN 53 -8.611 4.050 9.699 390 HB2 ASN 53 2HB ASN 53 -8.869 6.455 9.724 391 HB3 ASN 53 1HB ASN 53 -10.055 6.382 8.425 392 HD21 ASN 53 1HD2 ASN 53 -11.731 7.336 9.794 393 HD22 ASN 53 2HD2 ASN 53 -12.452 6.447 11.048 394 H GLU 54 H GLU 54 -10.218 4.470 6.574 395 HA GLU 54 HA GLU 54 -12.580 3.043 7.224 396 HB2 GLU 54 2HB GLU 54 -12.300 4.587 5.262 397 HB3 GLU 54 1HB GLU 54 -11.319 3.343 4.491 398 HG2 GLU 54 2HG GLU 54 -13.545 3.073 3.645 399 HG3 GLU 54 1HG GLU 54 -13.289 1.759 4.789 400 H VAL 55 H VAL 55 -9.466 2.016 5.827 401 HA VAL 55 HA VAL 55 -10.415 -0.787 5.837 402 HB VAL 55 HB VAL 55 -8.677 -1.277 4.278 403 HG11 VAL 55 1HG1 VAL 55 -9.684 1.460 3.472 404 HG12 VAL 55 2HG1 VAL 55 -10.731 0.040 3.504 405 HG13 VAL 55 3HG1 VAL 55 -9.333 0.081 2.429 406 HG21 VAL 55 3HG2 VAL 55 -7.137 0.673 3.551 407 HG22 VAL 55 1HG2 VAL 55 -6.782 -0.098 5.095 408 HG23 VAL 55 2HG2 VAL 55 -7.627 1.446 5.056 409 H ASP 56 H ASP 56 -9.505 0.730 8.262 410 HA ASP 56 HA ASP 56 -6.924 -0.340 8.960 411 HB2 ASP 56 2HB ASP 56 -7.988 1.775 9.905 412 HB3 ASP 56 1HB ASP 56 -8.986 0.709 10.893 413 H ALA 57 H ALA 57 -8.074 -0.960 11.763 414 HA ALA 57 HA ALA 57 -9.618 -3.342 11.481 415 HB1 ALA 57 1HB ALA 57 -7.960 -5.005 11.948 416 HB2 ALA 57 2HB ALA 57 -6.712 -3.780 12.185 417 HB3 ALA 57 3HB ALA 57 -7.376 -4.062 10.576 418 H ASP 58 H ASP 58 -6.876 -2.605 13.656 419 HA ASP 58 HA ASP 58 -8.589 -3.004 15.972 420 HB2 ASP 58 2HB ASP 58 -6.187 -3.821 15.765 421 HB3 ASP 58 1HB ASP 58 -5.698 -2.141 15.980 422 H GLY 59 H GLY 59 -8.015 -0.417 13.996 423 HA2 GLY 59 2HA GLY 59 -8.739 1.795 14.255 424 HA3 GLY 59 1HA GLY 59 -9.010 1.475 15.967 425 H ASN 60 H ASN 60 -6.004 0.388 14.907 426 HA ASN 60 HA ASN 60 -4.549 2.213 16.537 427 HB2 ASN 60 2HB ASN 60 -3.912 -0.157 16.183 428 HB3 ASN 60 1HB ASN 60 -3.574 0.200 14.493 429 HD21 ASN 60 1HD2 ASN 60 -2.519 0.956 17.830 430 HD22 ASN 60 2HD2 ASN 60 -0.955 1.451 17.389 431 H GLY 61 H GLY 61 -5.563 2.173 13.262 432 HA2 GLY 61 2HA GLY 61 -5.455 3.920 11.728 433 HA3 GLY 61 1HA GLY 61 -4.320 4.750 12.787 434 H THR 62 H THR 62 -3.605 1.461 12.171 435 HA THR 62 HA THR 62 -1.664 2.180 10.052 436 HB THR 62 HB THR 62 0.021 0.820 11.129 437 HG1 THR 62 1HG THR 62 -1.045 0.412 13.507 438 HG21 THR 62 3HG2 THR 62 -1.312 2.771 13.025 439 HG22 THR 62 1HG2 THR 62 -0.052 3.137 11.846 440 HG23 THR 62 2HG2 THR 62 0.315 2.127 13.243 441 H ILE 63 H ILE 63 -0.979 0.415 8.715 442 HA ILE 63 HA ILE 63 -3.041 -1.693 8.482 443 HB ILE 63 HB ILE 63 -1.006 -0.872 6.409 444 HG12 ILE 63 2HG1 ILE 63 -2.358 1.079 6.842 445 HG13 ILE 63 1HG1 ILE 63 -2.957 0.340 5.357 446 HG21 ILE 63 1HG2 ILE 63 -3.542 -2.514 6.354 447 HG22 ILE 63 2HG2 ILE 63 -1.905 -3.050 5.979 448 HG23 ILE 63 3HG2 ILE 63 -2.732 -1.931 4.899 449 HD11 ILE 63 3HD1 ILE 63 -4.179 0.306 8.108 450 HD12 ILE 63 1HD1 ILE 63 -4.609 -0.925 6.921 451 HD13 ILE 63 2HD1 ILE 63 -4.922 0.777 6.580 452 H ASP 64 H ASP 64 -2.523 -3.626 9.198 453 HA ASP 64 HA ASP 64 0.228 -4.334 9.773 454 HB2 ASP 64 2HB ASP 64 -2.413 -5.730 10.203 455 HB3 ASP 64 1HB ASP 64 -0.864 -6.465 10.608 456 H PHE 65 H PHE 65 0.755 -6.748 9.298 457 HA PHE 65 HA PHE 65 1.407 -7.031 6.636 458 HB2 PHE 65 2HB PHE 65 1.326 -8.787 9.016 459 HB3 PHE 65 1HB PHE 65 1.303 -9.656 7.485 460 HD1 PHE 65 1HD PHE 65 2.989 -6.532 8.681 461 HD2 PHE 65 2HD PHE 65 3.433 -10.445 6.970 462 HE1 PHE 65 1HE PHE 65 5.430 -6.178 8.498 463 HE2 PHE 65 2HE PHE 65 5.870 -10.089 6.775 464 HZ PHE 65 HZ PHE 65 6.873 -7.953 7.537 465 HA PRO 66 HA PRO 66 -2.156 -10.201 5.820 466 HB2 PRO 66 2HB PRO 66 -4.263 -10.109 7.663 467 HB3 PRO 66 1HB PRO 66 -2.955 -11.307 7.663 468 HG2 PRO 66 2HG PRO 66 -3.239 -8.815 9.282 469 HG3 PRO 66 1HG PRO 66 -2.625 -10.408 9.762 470 HD2 PRO 66 2HD PRO 66 -0.940 -8.377 9.255 471 HD3 PRO 66 1HD PRO 66 -0.537 -10.046 8.797 472 H GLU 67 H GLU 67 -3.259 -7.291 7.511 473 HA GLU 67 HA GLU 67 -5.582 -6.742 6.141 474 HB2 GLU 67 2HB GLU 67 -3.483 -4.799 7.126 475 HB3 GLU 67 1HB GLU 67 -5.125 -4.351 6.659 476 HG2 GLU 67 2HG GLU 67 -6.031 -5.870 8.375 477 HG3 GLU 67 1HG GLU 67 -4.392 -6.319 8.845 478 H PHE 68 H PHE 68 -2.309 -5.606 5.306 479 HA PHE 68 HA PHE 68 -3.024 -4.335 2.908 480 HB2 PHE 68 2HB PHE 68 -0.859 -4.073 4.145 481 HB3 PHE 68 1HB PHE 68 -0.372 -5.636 3.488 482 HD1 PHE 68 1HD PHE 68 -0.427 -5.933 0.925 483 HD2 PHE 68 2HD PHE 68 -0.640 -2.102 2.856 484 HE1 PHE 68 1HE PHE 68 0.265 -4.835 -1.183 485 HE2 PHE 68 2HE PHE 68 0.051 -1.002 0.741 486 HZ PHE 68 HZ PHE 68 0.502 -2.371 -1.278 487 H LEU 69 H LEU 69 -1.849 -7.591 3.592 488 HA LEU 69 HA LEU 69 -1.625 -8.512 0.978 489 HB2 LEU 69 2HB LEU 69 -0.791 -9.810 2.836 490 HB3 LEU 69 1HB LEU 69 -2.415 -9.993 3.503 491 HG LEU 69 HG LEU 69 -1.473 -11.997 2.247 492 HD11 LEU 69 1HD1 LEU 69 -3.579 -12.714 1.906 493 HD12 LEU 69 2HD1 LEU 69 -3.912 -11.480 0.687 494 HD13 LEU 69 3HD1 LEU 69 -4.108 -11.104 2.406 495 HD21 LEU 69 3HD2 LEU 69 -1.255 -11.965 -0.111 496 HD22 LEU 69 1HD2 LEU 69 -0.500 -10.468 0.434 497 HD23 LEU 69 2HD2 LEU 69 -2.113 -10.428 -0.259 498 H THR 70 H THR 70 -4.512 -8.182 3.027 499 HA THR 70 HA THR 70 -6.183 -9.571 1.110 500 HB THR 70 HB THR 70 -6.891 -7.960 3.557 501 HG1 THR 70 1HG THR 70 -6.854 -10.758 3.336 502 HG21 THR 70 3HG2 THR 70 -8.828 -8.188 2.160 503 HG22 THR 70 1HG2 THR 70 -8.969 -9.409 3.425 504 HG23 THR 70 2HG2 THR 70 -8.444 -9.872 1.806 505 H MET 71 H MET 71 -6.438 -6.281 2.481 506 HA MET 71 HA MET 71 -8.266 -5.268 0.729 507 HB2 MET 71 2HB MET 71 -7.713 -3.143 1.487 508 HB3 MET 71 1HB MET 71 -7.059 -4.159 2.764 509 HG2 MET 71 2HG MET 71 -4.829 -3.989 1.831 510 HG3 MET 71 1HG MET 71 -5.404 -3.096 0.436 511 HE1 MET 71 3HE MET 71 -5.125 -3.411 4.087 512 HE2 MET 71 1HE MET 71 -6.616 -2.485 4.316 513 HE3 MET 71 2HE MET 71 -5.063 -1.786 4.763 514 H MET 72 H MET 72 -5.040 -6.192 -0.063 515 HA MET 72 HA MET 72 -4.928 -4.492 -2.432 516 HB2 MET 72 2HB MET 72 -2.730 -5.217 -2.708 517 HB3 MET 72 1HB MET 72 -2.935 -5.179 -0.961 518 HG2 MET 72 2HG MET 72 -2.051 -7.289 -1.128 519 HG3 MET 72 1HG MET 72 -3.724 -7.720 -1.433 520 HE1 MET 72 3HE MET 72 -0.532 -6.328 -3.210 521 HE2 MET 72 1HE MET 72 -0.180 -7.709 -4.257 522 HE3 MET 72 2HE MET 72 -0.232 -7.916 -2.508 523 H ALA 73 H ALA 73 -5.893 -7.692 -1.557 524 HA ALA 73 HA ALA 73 -5.886 -8.697 -4.299 525 HB1 ALA 73 1HB ALA 73 -6.933 -10.722 -3.154 526 HB2 ALA 73 2HB ALA 73 -6.659 -9.875 -1.630 527 HB3 ALA 73 3HB ALA 73 -5.292 -10.308 -2.658 528 H ARG 74 H ARG 74 -7.608 -6.407 -3.638 529 HA ARG 74 HA ARG 74 -10.321 -7.538 -3.827 530 HB2 ARG 74 2HB ARG 74 -9.282 -4.746 -3.326 531 HB3 ARG 74 1HB ARG 74 -10.991 -5.111 -3.575 532 HG2 ARG 74 2HG ARG 74 -11.001 -6.615 -1.658 533 HG3 ARG 74 1HG ARG 74 -9.262 -6.414 -1.451 534 HD2 ARG 74 2HD ARG 74 -10.482 -5.004 0.138 535 HD3 ARG 74 1HD ARG 74 -9.582 -4.017 -1.014 536 HE ARG 74 HE ARG 74 -11.615 -3.276 -1.908 537 HH11 ARG 74 1HH2 ARG 74 -12.065 -5.897 0.320 538 HH12 ARG 74 2HH2 ARG 74 -13.782 -5.707 0.411 539 HH21 ARG 74 1HH1 ARG 74 -13.874 -3.022 -1.785 540 HH22 ARG 74 2HH1 ARG 74 -14.806 -4.078 -0.780 541 H LYS 75 H LYS 75 -7.910 -6.906 -5.886 542 HA LYS 75 HA LYS 75 -8.698 -5.268 -7.931 543 HB2 LYS 75 2HB LYS 75 -6.610 -6.621 -7.917 544 HB3 LYS 75 1HB LYS 75 -7.562 -8.055 -8.299 545 HG2 LYS 75 2HG LYS 75 -8.318 -7.010 -10.399 546 HG3 LYS 75 1HG LYS 75 -7.404 -5.555 -10.011 547 HD2 LYS 75 2HD LYS 75 -5.307 -6.863 -10.024 548 HD3 LYS 75 1HD LYS 75 -6.220 -8.317 -10.428 549 HE2 LYS 75 2HE LYS 75 -5.265 -7.347 -12.468 550 HE3 LYS 75 1HE LYS 75 -7.025 -7.212 -12.505 551 HZ1 LYS 75 3HZ LYS 75 -5.540 -5.170 -13.055 552 HZ2 LYS 75 1HZ LYS 75 -5.444 -5.015 -11.368 553 HZ3 LYS 75 2HZ LYS 75 -6.958 -4.970 -12.141 554 H MET 76 H MET 76 -9.910 -8.527 -7.262 555 HA MET 76 HA MET 76 -11.809 -9.623 -7.954 556 HB2 MET 76 2HB MET 76 -12.710 -7.233 -7.370 557 HB3 MET 76 1HB MET 76 -12.860 -7.047 -9.115 558 HG2 MET 76 2HG MET 76 -14.969 -7.882 -8.416 559 HG3 MET 76 1HG MET 76 -14.131 -9.290 -9.066 560 HE1 MET 76 3HE MET 76 -16.470 -8.367 -6.623 561 HE2 MET 76 1HE MET 76 -15.242 -7.345 -5.865 562 HE3 MET 76 2HE MET 76 -15.892 -8.736 -4.999 563 H LYS 77 H LYS 77 -10.479 -10.722 -9.471 564 HA LYS 77 HA LYS 77 -9.912 -9.924 -12.090 565 HB2 LYS 77 2HB LYS 77 -8.933 -11.907 -10.928 566 HB3 LYS 77 1HB LYS 77 -10.475 -12.737 -11.107 567 HG2 LYS 77 2HG LYS 77 -10.307 -12.563 -13.553 568 HG3 LYS 77 1HG LYS 77 -8.789 -11.680 -13.398 569 HD2 LYS 77 2HD LYS 77 -7.769 -13.637 -12.269 570 HD3 LYS 77 1HD LYS 77 -9.282 -14.523 -12.447 571 HE2 LYS 77 2HE LYS 77 -9.110 -14.362 -14.897 572 HE3 LYS 77 1HE LYS 77 -7.617 -13.436 -14.745 573 HZ1 LYS 77 3HZ LYS 77 -6.566 -15.308 -13.686 574 HZ2 LYS 77 1HZ LYS 77 -7.217 -15.799 -15.173 575 HZ3 LYS 77 2HZ LYS 77 -8.015 -16.198 -13.727 576 H1 GLY 45 1HT GLY 45 -13.353 3.308 -10.904 577 H2 GLY 45 2HT GLY 45 -14.686 3.731 -9.937 578 H3 GLY 45 3HT GLY 45 -13.982 2.191 -9.790 579 HA2 GLY 45 2HA GLY 45 -12.105 2.989 -8.713 580 HA3 GLY 45 1HA GLY 45 -12.406 4.633 -9.275 581 H THR 46 H THR 46 -12.972 2.346 -6.778 582 HA THR 46 HA THR 46 -15.272 3.558 -5.596 583 HB THR 46 HB THR 46 -14.654 2.242 -3.582 584 HG1 THR 46 1HG THR 46 -12.815 0.809 -3.922 585 HG21 THR 46 3HG2 THR 46 -14.471 0.737 -6.209 586 HG22 THR 46 1HG2 THR 46 -15.955 1.172 -5.361 587 HG23 THR 46 2HG2 THR 46 -14.838 0.011 -4.644 588 H GLY 47 H GLY 47 -11.808 4.050 -5.349 589 HA2 GLY 47 2HA GLY 47 -11.255 6.462 -4.790 590 HA3 GLY 47 1HA GLY 47 -12.230 6.202 -3.349 591 H ALA 48 H ALA 48 -11.544 4.403 -1.925 592 HA ALA 48 HA ALA 48 -8.896 4.719 -1.070 593 HB1 ALA 48 1HB ALA 48 -10.894 3.955 0.280 594 HB2 ALA 48 2HB ALA 48 -9.411 3.044 0.560 595 HB3 ALA 48 3HB ALA 48 -10.685 2.366 -0.451 596 H ALA 49 H ALA 49 -10.378 2.064 -2.944 597 HA ALA 49 HA ALA 49 -8.090 0.399 -3.012 598 HB1 ALA 49 1HB ALA 49 -10.489 0.641 -4.830 599 HB2 ALA 49 2HB ALA 49 -10.201 -0.559 -3.572 600 HB3 ALA 49 3HB ALA 49 -9.243 -0.587 -5.052 601 H LEU 50 H LEU 50 -9.210 2.981 -5.139 602 HA LEU 50 HA LEU 50 -7.323 2.625 -7.208 603 HB2 LEU 50 2HB LEU 50 -9.366 3.984 -7.399 604 HB3 LEU 50 1HB LEU 50 -8.691 5.150 -6.265 605 HG LEU 50 HG LEU 50 -6.910 4.519 -8.573 606 HD11 LEU 50 1HD1 LEU 50 -8.189 5.996 -10.125 607 HD12 LEU 50 2HD1 LEU 50 -9.529 5.991 -8.979 608 HD13 LEU 50 3HD1 LEU 50 -9.036 4.492 -9.763 609 HD21 LEU 50 3HD2 LEU 50 -7.928 7.136 -7.404 610 HD22 LEU 50 1HD2 LEU 50 -6.581 6.958 -8.530 611 HD23 LEU 50 2HD2 LEU 50 -6.455 6.312 -6.892 612 H SER 51 H SER 51 -7.290 4.575 -4.255 613 HA SER 51 HA SER 51 -4.862 5.930 -4.675 614 HB2 SER 51 2HB SER 51 -6.210 5.038 -2.118 615 HB3 SER 51 1HB SER 51 -4.851 6.162 -2.186 616 HG SER 51 HG SER 51 -7.261 6.874 -2.269 617 H TRP 52 H TRP 52 -5.585 2.854 -3.079 618 HA TRP 52 HA TRP 52 -2.914 2.261 -2.320 619 HB2 TRP 52 2HB TRP 52 -5.460 0.685 -2.607 620 HB3 TRP 52 1HB TRP 52 -3.945 -0.162 -2.304 621 HD1 TRP 52 HD TRP 52 -6.724 1.267 -0.491 622 HE1 TRP 52 1HE TRP 52 -6.102 1.789 1.957 623 HE3 TRP 52 3HE TRP 52 -1.630 1.006 -0.792 624 HZ2 TRP 52 2HZ TRP 52 -3.761 2.052 3.577 625 HZ3 TRP 52 3HZ TRP 52 -0.229 1.389 1.219 626 HH2 TRP 52 HH TRP 52 -1.284 1.914 3.403 627 H GLN 53 H GLN 53 -4.899 1.256 -5.107 628 HA GLN 53 HA GLN 53 -2.973 -0.412 -6.300 629 HB2 GLN 53 2HB GLN 53 -5.389 -0.352 -6.914 630 HB3 GLN 53 1HB GLN 53 -5.122 1.207 -7.689 631 HG2 GLN 53 2HG GLN 53 -5.040 -0.554 -9.374 632 HG3 GLN 53 1HG GLN 53 -3.430 0.135 -9.182 633 HE21 GLN 53 1HE2 GLN 53 -2.566 -1.969 -10.017 634 HE22 GLN 53 2HE2 GLN 53 -2.468 -3.303 -8.972 635 H ALA 54 H ALA 54 -3.605 3.068 -6.714 636 HA ALA 54 HA ALA 54 -1.755 3.469 -8.823 637 HB1 ALA 54 1HB ALA 54 -3.611 5.038 -8.057 638 HB2 ALA 54 2HB ALA 54 -2.066 5.792 -8.450 639 HB3 ALA 54 3HB ALA 54 -2.519 5.539 -6.765 640 H ALA 55 H ALA 55 -1.426 3.674 -5.297 641 HA ALA 55 HA ALA 55 1.213 4.715 -5.271 642 HB1 ALA 55 1HB ALA 55 1.249 3.818 -2.923 643 HB2 ALA 55 2HB ALA 55 -0.327 3.089 -3.239 644 HB3 ALA 55 3HB ALA 55 -0.142 4.843 -3.284 645 H ILE 56 H ILE 56 -0.065 1.413 -5.243 646 HA ILE 56 HA ILE 56 2.409 0.079 -4.875 647 HB ILE 56 HB ILE 56 -0.203 -0.802 -6.124 648 HG12 ILE 56 2HG1 ILE 56 1.041 -1.547 -3.465 649 HG13 ILE 56 1HG1 ILE 56 -0.069 -0.191 -3.649 650 HG21 ILE 56 1HG2 ILE 56 1.401 -2.285 -7.051 651 HG22 ILE 56 2HG2 ILE 56 0.789 -3.132 -5.632 652 HG23 ILE 56 3HG2 ILE 56 2.352 -2.317 -5.567 653 HD11 ILE 56 3HD1 ILE 56 -1.847 -1.631 -4.377 654 HD12 ILE 56 1HD1 ILE 56 -1.148 -2.383 -2.942 655 HD13 ILE 56 2HD1 ILE 56 -0.749 -3.001 -4.546 656 H ASP 57 H ASP 57 0.583 0.986 -7.782 657 HA ASP 57 HA ASP 57 2.279 -0.227 -9.678 658 HB2 ASP 57 2HB ASP 57 0.392 2.124 -9.828 659 HB3 ASP 57 1HB ASP 57 1.248 1.500 -11.238 660 H ALA 58 H ALA 58 2.208 3.104 -8.415 661 HA ALA 58 HA ALA 58 4.466 3.971 -9.931 662 HB1 ALA 58 1HB ALA 58 3.043 5.086 -7.513 663 HB2 ALA 58 2HB ALA 58 2.970 5.655 -9.181 664 HB3 ALA 58 3HB ALA 58 4.443 5.878 -8.237 665 H ALA 59 H ALA 59 4.035 2.658 -6.674 666 HA ALA 59 HA ALA 59 6.621 3.125 -5.674 667 HB1 ALA 59 1HB ALA 59 4.641 0.904 -5.105 668 HB2 ALA 59 2HB ALA 59 4.852 2.400 -4.197 669 HB3 ALA 59 3HB ALA 59 6.115 1.170 -4.171 670 H ARG 60 H ARG 60 5.277 0.278 -7.319 671 HA ARG 60 HA ARG 60 7.711 -1.160 -7.419 672 HB2 ARG 60 2HB ARG 60 5.156 -1.365 -9.003 673 HB3 ARG 60 1HB ARG 60 6.512 -2.467 -9.237 674 HG2 ARG 60 2HG ARG 60 6.396 -2.857 -6.674 675 HG3 ARG 60 1HG ARG 60 4.815 -2.082 -6.767 676 HD2 ARG 60 2HD ARG 60 5.655 -4.475 -8.407 677 HD3 ARG 60 1HD ARG 60 4.669 -4.549 -6.945 678 HE ARG 60 HE ARG 60 3.437 -2.719 -8.643 679 HH11 ARG 60 1HH2 ARG 60 4.303 -6.089 -8.676 680 HH12 ARG 60 2HH2 ARG 60 2.928 -6.560 -9.617 681 HH21 ARG 60 1HH1 ARG 60 1.658 -3.339 -9.869 682 HH22 ARG 60 2HH1 ARG 60 1.431 -5.000 -10.291 683 H GLN 61 H GLN 61 6.227 1.207 -9.549 684 HA GLN 61 HA GLN 61 7.761 0.808 -11.851 685 HB2 GLN 61 2HB GLN 61 5.810 2.354 -11.680 686 HB3 GLN 61 1HB GLN 61 6.803 3.456 -10.727 687 HG2 GLN 61 2HG GLN 61 6.808 4.196 -13.041 688 HG3 GLN 61 1HG GLN 61 8.411 3.586 -12.642 689 HE21 GLN 61 1HE2 GLN 61 9.056 2.776 -14.688 690 HE22 GLN 61 2HE2 GLN 61 8.210 1.567 -15.526 691 H ALA 62 H ALA 62 8.403 2.799 -8.976 692 HA ALA 62 HA ALA 62 10.917 3.795 -9.864 693 HB1 ALA 62 1HB ALA 62 11.234 4.493 -7.556 694 HB2 ALA 62 2HB ALA 62 9.939 3.420 -7.023 695 HB3 ALA 62 3HB ALA 62 9.568 4.814 -8.037 696 H LYS 63 H LYS 63 9.945 0.991 -7.927 697 HA LYS 63 HA LYS 63 12.551 0.131 -7.220 698 HB2 LYS 63 2HB LYS 63 10.638 -0.755 -6.053 699 HB3 LYS 63 1HB LYS 63 9.957 -1.375 -7.552 700 HG2 LYS 63 2HG LYS 63 11.524 -3.103 -7.721 701 HG3 LYS 63 1HG LYS 63 12.684 -2.296 -6.668 702 HD2 LYS 63 2HD LYS 63 11.685 -4.149 -5.457 703 HD3 LYS 63 1HD LYS 63 11.090 -2.643 -4.755 704 HE2 LYS 63 2HE LYS 63 9.287 -4.350 -5.135 705 HE3 LYS 63 1HE LYS 63 9.006 -2.832 -5.990 706 HZ1 LYS 63 3HZ LYS 63 8.644 -4.830 -7.369 707 HZ2 LYS 63 1HZ LYS 63 10.288 -5.216 -7.202 708 HZ3 LYS 63 2HZ LYS 63 9.828 -3.788 -8.000 709 H LEU 64 H LEU 64 10.445 -0.694 -9.961 710 HA LEU 64 HA LEU 64 12.126 -2.637 -11.104 711 HB2 LEU 64 2HB LEU 64 9.786 -2.398 -11.759 712 HB3 LEU 64 1HB LEU 64 10.109 -0.797 -12.418 713 HG LEU 64 HG LEU 64 11.632 -1.771 -14.092 714 HD11 LEU 64 1HD1 LEU 64 11.454 -4.397 -14.247 715 HD12 LEU 64 2HD1 LEU 64 11.064 -4.285 -12.530 716 HD13 LEU 64 3HD1 LEU 64 12.604 -3.669 -13.126 717 HD21 LEU 64 3HD2 LEU 64 9.153 -1.612 -14.517 718 HD22 LEU 64 1HD2 LEU 64 9.016 -3.304 -14.034 719 HD23 LEU 64 2HD2 LEU 64 9.962 -2.866 -15.456 720 H MET 65 H MET 65 11.861 0.861 -11.710 721 HA MET 65 HA MET 65 13.831 0.935 -13.754 722 HB2 MET 65 2HB MET 65 12.747 3.089 -11.931 723 HB3 MET 65 1HB MET 65 13.824 3.398 -13.292 724 HG2 MET 65 2HG MET 65 11.150 1.982 -13.520 725 HG3 MET 65 1HG MET 65 11.391 3.694 -13.856 726 HE1 MET 65 3HE MET 65 13.199 3.968 -17.078 727 HE2 MET 65 1HE MET 65 13.861 4.214 -15.457 728 HE3 MET 65 2HE MET 65 12.202 4.687 -15.815 729 H GLY 66 H GLY 66 13.973 1.346 -10.251 730 HA2 GLY 66 2HA GLY 66 15.778 1.086 -8.825 731 HA3 GLY 66 1HA GLY 66 16.781 0.712 -10.221 732 H SER 67 H SER 67 15.270 3.529 -10.993 733 HA SER 67 HA SER 67 16.901 5.376 -9.470 734 HB2 SER 67 2HB SER 67 18.566 4.610 -11.081 735 HB3 SER 67 1HB SER 67 17.464 4.944 -12.414 736 HG SER 67 HG SER 67 17.506 7.140 -11.790 737 H ALA 68 H ALA 68 16.335 7.556 -9.812 738 HA ALA 68 HA ALA 68 13.632 7.916 -10.833 739 HB1 ALA 68 1HB ALA 68 14.172 8.931 -8.703 740 HB2 ALA 68 2HB ALA 68 13.900 10.213 -9.883 741 HB3 ALA 68 3HB ALA 68 15.545 9.779 -9.411 Start of MODEL 12 1 H1 ALA 1 1HT ALA 1 -3.258 -17.862 -13.997 2 H2 ALA 1 2HT ALA 1 -3.498 -17.412 -12.375 3 H3 ALA 1 3HT ALA 1 -2.598 -16.412 -13.412 4 HA ALA 1 HA ALA 1 -4.461 -15.768 -14.631 5 HB1 ALA 1 2HB ALA 1 -6.618 -16.835 -14.429 6 HB2 ALA 1 3HB ALA 1 -6.065 -17.817 -13.072 7 HB3 ALA 1 1HB ALA 1 -5.420 -18.103 -14.690 8 H ASP 2 H ASP 2 -6.962 -15.862 -12.878 9 HA ASP 2 HA ASP 2 -6.304 -13.526 -11.304 10 HB2 ASP 2 2HB ASP 2 -8.850 -15.071 -11.772 11 HB3 ASP 2 1HB ASP 2 -8.762 -13.616 -10.782 12 H GLN 3 H GLN 3 -5.966 -16.767 -10.748 13 HA GLN 3 HA GLN 3 -6.893 -16.894 -8.011 14 HB2 GLN 3 2HB GLN 3 -5.168 -18.750 -9.664 15 HB3 GLN 3 1HB GLN 3 -5.708 -19.099 -8.021 16 HG2 GLN 3 2HG GLN 3 -8.050 -18.926 -8.729 17 HG3 GLN 3 1HG GLN 3 -7.538 -18.519 -10.367 18 HE21 GLN 3 1HE2 GLN 3 -9.050 -20.676 -10.501 19 HE22 GLN 3 2HE2 GLN 3 -8.168 -22.126 -10.555 20 H LEU 4 H LEU 4 -5.474 -17.266 -6.166 21 HA LEU 4 HA LEU 4 -3.325 -15.387 -6.067 22 HB2 LEU 4 2HB LEU 4 -4.983 -16.389 -4.191 23 HB3 LEU 4 1HB LEU 4 -3.600 -17.443 -3.912 24 HG LEU 4 HG LEU 4 -2.239 -15.162 -3.960 25 HD11 LEU 4 1HD1 LEU 4 -3.600 -13.328 -2.954 26 HD12 LEU 4 2HD1 LEU 4 -5.052 -14.271 -3.275 27 HD13 LEU 4 3HD1 LEU 4 -4.054 -13.704 -4.615 28 HD21 LEU 4 3HD2 LEU 4 -4.000 -15.975 -1.631 29 HD22 LEU 4 1HD2 LEU 4 -2.565 -14.957 -1.525 30 HD23 LEU 4 2HD2 LEU 4 -2.414 -16.642 -2.012 31 H THR 5 H THR 5 -1.228 -16.261 -4.810 32 HA THR 5 HA THR 5 -0.205 -18.809 -5.455 33 HB THR 5 HB THR 5 -0.258 -17.990 -7.760 34 HG1 THR 5 1HG THR 5 2.361 -17.735 -7.585 35 HG21 THR 5 3HG2 THR 5 -0.199 -15.605 -7.431 36 HG22 THR 5 1HG2 THR 5 1.236 -16.046 -8.351 37 HG23 THR 5 2HG2 THR 5 1.369 -15.700 -6.632 38 H GLU 6 H GLU 6 2.351 -18.708 -5.327 39 HA GLU 6 HA GLU 6 3.041 -17.639 -2.826 40 HB2 GLU 6 2HB GLU 6 4.184 -19.558 -3.973 41 HB3 GLU 6 1HB GLU 6 4.913 -18.403 -5.083 42 HG2 GLU 6 2HG GLU 6 5.988 -17.251 -3.187 43 HG3 GLU 6 1HG GLU 6 5.258 -18.403 -2.071 44 H GLU 7 H GLU 7 3.888 -16.541 -6.107 45 HA GLU 7 HA GLU 7 5.431 -14.363 -5.568 46 HB2 GLU 7 2HB GLU 7 4.947 -15.013 -7.838 47 HB3 GLU 7 1HB GLU 7 3.232 -14.679 -7.620 48 HG2 GLU 7 2HG GLU 7 3.660 -12.322 -7.377 49 HG3 GLU 7 1HG GLU 7 5.401 -12.588 -7.410 50 H GLN 8 H GLN 8 1.864 -14.270 -5.811 51 HA GLN 8 HA GLN 8 1.346 -11.681 -5.279 52 HB2 GLN 8 2HB GLN 8 -0.225 -13.692 -5.668 53 HB3 GLN 8 1HB GLN 8 -0.246 -13.826 -3.917 54 HG2 GLN 8 2HG GLN 8 -2.109 -12.448 -4.497 55 HG3 GLN 8 1HG GLN 8 -0.889 -11.369 -3.834 56 HE21 GLN 8 1HE2 GLN 8 -1.198 -9.456 -5.019 57 HE22 GLN 8 2HE2 GLN 8 -1.196 -9.377 -6.715 58 H ILE 9 H ILE 9 1.478 -14.151 -2.628 59 HA ILE 9 HA ILE 9 1.170 -12.283 -0.582 60 HB ILE 9 HB ILE 9 2.348 -14.049 0.852 61 HG12 ILE 9 2HG1 ILE 9 2.251 -15.562 -1.767 62 HG13 ILE 9 1HG1 ILE 9 3.727 -14.963 -1.017 63 HG21 ILE 9 1HG2 ILE 9 0.090 -14.988 -0.944 64 HG22 ILE 9 2HG2 ILE 9 -0.120 -13.934 0.455 65 HG23 ILE 9 3HG2 ILE 9 0.462 -15.584 0.673 66 HD11 ILE 9 3HD1 ILE 9 3.324 -16.354 0.942 67 HD12 ILE 9 1HD1 ILE 9 3.337 -17.328 -0.524 68 HD13 ILE 9 2HD1 ILE 9 1.804 -16.928 0.245 69 H ALA 10 H ALA 10 4.202 -13.532 -2.006 70 HA ALA 10 HA ALA 10 5.961 -12.096 -0.360 71 HB1 ALA 10 1HB ALA 10 6.465 -12.685 -3.277 72 HB2 ALA 10 2HB ALA 10 6.451 -13.967 -2.065 73 HB3 ALA 10 3HB ALA 10 7.627 -12.658 -1.949 74 H GLU 11 H GLU 11 4.449 -11.301 -3.446 75 HA GLU 11 HA GLU 11 5.636 -8.873 -4.042 76 HB2 GLU 11 2HB GLU 11 3.921 -10.205 -5.405 77 HB3 GLU 11 1HB GLU 11 2.691 -9.404 -4.432 78 HG2 GLU 11 2HG GLU 11 2.938 -8.067 -6.382 79 HG3 GLU 11 1HG GLU 11 3.790 -7.204 -5.104 80 H PHE 12 H PHE 12 2.804 -9.491 -1.944 81 HA PHE 12 HA PHE 12 2.329 -6.771 -1.354 82 HB2 PHE 12 2HB PHE 12 0.484 -7.704 -0.408 83 HB3 PHE 12 1HB PHE 12 1.166 -9.297 -0.709 84 HD1 PHE 12 2HD PHE 12 1.603 -6.443 1.698 85 HD2 PHE 12 1HD PHE 12 1.429 -10.697 1.140 86 HE1 PHE 12 2HE PHE 12 1.871 -6.765 4.125 87 HE2 PHE 12 1HE PHE 12 1.718 -11.014 3.571 88 HZ PHE 12 HZ PHE 12 1.922 -9.050 5.060 89 H LYS 13 H LYS 13 4.284 -9.264 0.268 90 HA LYS 13 HA LYS 13 4.994 -7.840 2.549 91 HB2 LYS 13 2HB LYS 13 5.448 -10.279 1.885 92 HB3 LYS 13 1HB LYS 13 6.885 -9.650 1.075 93 HG2 LYS 13 2HG LYS 13 7.054 -8.415 3.560 94 HG3 LYS 13 1HG LYS 13 6.348 -9.972 3.982 95 HD2 LYS 13 2HD LYS 13 8.834 -9.597 2.327 96 HD3 LYS 13 1HD LYS 13 8.799 -9.954 4.045 97 HE2 LYS 13 2HE LYS 13 7.451 -12.027 3.507 98 HE3 LYS 13 1HE LYS 13 7.786 -11.708 1.805 99 HZ1 LYS 13 3HZ LYS 13 9.763 -12.633 2.042 100 HZ2 LYS 13 1HZ LYS 13 9.428 -12.980 3.669 101 HZ3 LYS 13 2HZ LYS 13 10.178 -11.512 3.251 102 H GLU 14 H GLU 14 6.553 -7.959 -0.643 103 HA GLU 14 HA GLU 14 8.736 -6.271 -0.075 104 HB2 GLU 14 2HB GLU 14 7.221 -6.703 -2.660 105 HB3 GLU 14 1HB GLU 14 8.779 -5.892 -2.543 106 HG2 GLU 14 2HG GLU 14 8.239 -8.753 -1.681 107 HG3 GLU 14 1HG GLU 14 9.003 -8.286 -3.197 108 H ALA 15 H ALA 15 5.585 -5.505 -1.586 109 HA ALA 15 HA ALA 15 5.923 -2.738 -1.775 110 HB1 ALA 15 1HB ALA 15 3.459 -4.452 -1.444 111 HB2 ALA 15 2HB ALA 15 4.101 -3.748 -2.930 112 HB3 ALA 15 3HB ALA 15 3.383 -2.710 -1.701 113 H PHE 16 H PHE 16 4.649 -4.721 0.867 114 HA PHE 16 HA PHE 16 3.875 -2.663 2.579 115 HB2 PHE 16 2HB PHE 16 3.152 -4.613 3.501 116 HB3 PHE 16 1HB PHE 16 4.462 -5.546 2.802 117 HD1 PHE 16 2HD PHE 16 3.796 -3.012 5.507 118 HD2 PHE 16 1HD PHE 16 6.154 -6.353 4.189 119 HE1 PHE 16 2HE PHE 16 4.982 -3.046 7.685 120 HE2 PHE 16 1HE PHE 16 7.336 -6.378 6.357 121 HZ PHE 16 HZ PHE 16 6.757 -4.726 8.091 122 H SER 17 H SER 17 6.980 -4.390 2.425 123 HA SER 17 HA SER 17 8.310 -3.068 4.462 124 HB2 SER 17 2HB SER 17 9.222 -5.040 3.309 125 HB3 SER 17 1HB SER 17 9.469 -4.082 1.852 126 HG SER 17 HG SER 17 10.710 -2.661 3.393 127 H LEU 18 H LEU 18 7.789 -2.077 1.121 128 HA LEU 18 HA LEU 18 9.594 0.126 1.112 129 HB2 LEU 18 2HB LEU 18 7.078 -0.371 -0.478 130 HB3 LEU 18 1HB LEU 18 8.201 0.950 -0.796 131 HG LEU 18 HG LEU 18 8.965 -1.988 -0.785 132 HD11 LEU 18 1HD1 LEU 18 8.758 -0.229 -3.229 133 HD12 LEU 18 2HD1 LEU 18 7.374 -1.153 -2.651 134 HD13 LEU 18 3HD1 LEU 18 8.847 -1.987 -3.144 135 HD21 LEU 18 3HD2 LEU 18 10.949 -0.847 -2.173 136 HD22 LEU 18 1HD2 LEU 18 10.994 -0.895 -0.411 137 HD23 LEU 18 2HD2 LEU 18 10.482 0.576 -1.236 138 H PHE 19 H PHE 19 6.154 -0.113 1.924 139 HA PHE 19 HA PHE 19 5.858 2.691 2.363 140 HB2 PHE 19 2HB PHE 19 4.186 0.366 3.293 141 HB3 PHE 19 1HB PHE 19 3.716 2.058 3.445 142 HD1 PHE 19 2HD PHE 19 4.129 3.431 1.085 143 HD2 PHE 19 1HD PHE 19 3.277 -0.755 1.478 144 HE1 PHE 19 2HE PHE 19 3.299 3.377 -1.241 145 HE2 PHE 19 1HE PHE 19 2.445 -0.808 -0.818 146 HZ PHE 19 HZ PHE 19 2.451 1.255 -2.205 147 H ASP 20 H ASP 20 6.165 -0.042 4.653 148 HA ASP 20 HA ASP 20 6.078 1.541 6.981 149 HB2 ASP 20 2HB ASP 20 5.839 -0.935 6.916 150 HB3 ASP 20 1HB ASP 20 7.566 -1.065 6.592 151 H LYS 21 H LYS 21 7.449 3.347 6.059 152 HA LYS 21 HA LYS 21 10.215 3.135 5.649 153 HB2 LYS 21 2HB LYS 21 8.982 5.526 7.011 154 HB3 LYS 21 1HB LYS 21 10.331 5.495 5.882 155 HG2 LYS 21 2HG LYS 21 7.401 5.032 5.278 156 HG3 LYS 21 1HG LYS 21 8.412 6.356 4.712 157 HD2 LYS 21 2HD LYS 21 8.755 3.432 3.940 158 HD3 LYS 21 1HD LYS 21 8.076 4.696 2.930 159 HE2 LYS 21 2HE LYS 21 10.278 5.961 3.253 160 HE3 LYS 21 1HE LYS 21 10.929 4.452 3.891 161 HZ1 LYS 21 3HZ LYS 21 11.171 3.696 1.851 162 HZ2 LYS 21 1HZ LYS 21 10.641 5.184 1.233 163 HZ3 LYS 21 2HZ LYS 21 9.522 3.936 1.513 164 H ASP 22 H ASP 22 8.465 3.888 8.674 165 HA ASP 22 HA ASP 22 10.724 4.073 10.312 166 HB2 ASP 22 2HB ASP 22 8.073 2.956 11.215 167 HB3 ASP 22 1HB ASP 22 9.205 3.953 12.126 168 H GLY 23 H GLY 23 9.278 1.390 8.770 169 HA2 GLY 23 2HA GLY 23 9.668 -0.869 8.819 170 HA3 GLY 23 1HA GLY 23 11.272 -0.428 9.390 171 H ASP 24 H ASP 24 8.153 0.078 11.027 172 HA ASP 24 HA ASP 24 9.232 -1.314 13.381 173 HB2 ASP 24 2HB ASP 24 7.490 -0.288 14.630 174 HB3 ASP 24 1HB ASP 24 8.132 0.946 13.551 175 H GLY 25 H GLY 25 7.487 -2.149 10.690 176 HA2 GLY 25 2HA GLY 25 6.803 -4.448 10.385 177 HA3 GLY 25 1HA GLY 25 6.317 -4.498 12.076 178 H THR 26 H THR 26 5.413 -1.554 10.847 179 HA THR 26 HA THR 26 2.828 -2.454 9.769 180 HB THR 26 HB THR 26 1.580 -1.061 11.290 181 HG1 THR 26 1HG THR 26 2.525 0.301 12.643 182 HG21 THR 26 3HG2 THR 26 3.471 -2.641 13.030 183 HG22 THR 26 1HG2 THR 26 2.324 -3.429 11.945 184 HG23 THR 26 2HG2 THR 26 1.737 -2.383 13.236 185 H ILE 27 H ILE 27 1.584 -0.580 8.894 186 HA ILE 27 HA ILE 27 3.423 1.478 7.800 187 HB ILE 27 HB ILE 27 0.845 0.363 6.675 188 HG12 ILE 27 2HG1 ILE 27 3.643 0.271 5.546 189 HG13 ILE 27 1HG1 ILE 27 2.962 -1.033 6.519 190 HG21 ILE 27 1HG2 ILE 27 1.459 1.790 4.715 191 HG22 ILE 27 2HG2 ILE 27 2.690 2.558 5.713 192 HG23 ILE 27 3HG2 ILE 27 0.982 2.716 6.133 193 HD11 ILE 27 3HD1 ILE 27 1.566 0.040 4.048 194 HD12 ILE 27 1HD1 ILE 27 1.231 -1.455 4.922 195 HD13 ILE 27 2HD1 ILE 27 2.715 -1.296 3.986 196 H THR 28 H THR 28 3.006 3.565 8.263 197 HA THR 28 HA THR 28 0.501 4.188 9.741 198 HB THR 28 HB THR 28 3.210 5.546 9.884 199 HG1 THR 28 1HG THR 28 3.376 4.521 11.830 200 HG21 THR 28 3HG2 THR 28 1.594 7.197 10.361 201 HG22 THR 28 1HG2 THR 28 2.050 6.580 11.946 202 HG23 THR 28 2HG2 THR 28 0.542 6.057 11.196 203 H THR 29 H THR 29 -0.262 6.431 9.510 204 HA THR 29 HA THR 29 -0.857 7.088 6.869 205 HB THR 29 HB THR 29 -1.548 9.308 7.839 206 HG1 THR 29 1HG THR 29 -0.315 9.725 9.517 207 HG21 THR 29 3HG2 THR 29 -3.133 7.480 7.813 208 HG22 THR 29 1HG2 THR 29 -3.271 8.309 9.362 209 HG23 THR 29 2HG2 THR 29 -2.408 6.774 9.257 210 H LYS 30 H LYS 30 1.624 8.350 9.039 211 HA LYS 30 HA LYS 30 2.598 10.370 7.285 212 HB2 LYS 30 2HB LYS 30 3.856 9.005 9.675 213 HB3 LYS 30 1HB LYS 30 4.556 10.395 8.843 214 HG2 LYS 30 2HG LYS 30 2.541 11.722 9.320 215 HG3 LYS 30 1HG LYS 30 1.801 10.332 10.117 216 HD2 LYS 30 2HD LYS 30 3.645 10.311 11.768 217 HD3 LYS 30 1HD LYS 30 4.352 11.725 10.987 218 HE2 LYS 30 2HE LYS 30 2.319 13.028 11.479 219 HE3 LYS 30 1HE LYS 30 1.589 11.613 12.239 220 HZ1 LYS 30 3HZ LYS 30 3.155 11.646 13.955 221 HZ2 LYS 30 1HZ LYS 30 2.708 13.269 13.758 222 HZ3 LYS 30 2HZ LYS 30 4.185 12.716 13.129 223 H GLU 31 H GLU 31 3.605 7.035 7.987 224 HA GLU 31 HA GLU 31 5.944 6.962 6.445 225 HB2 GLU 31 2HB GLU 31 3.929 4.841 7.193 226 HB3 GLU 31 1HB GLU 31 5.371 4.465 6.254 227 HG2 GLU 31 2HG GLU 31 6.792 5.366 8.047 228 HG3 GLU 31 1HG GLU 31 5.359 5.793 8.977 229 H LEU 32 H LEU 32 2.747 5.699 5.512 230 HA LEU 32 HA LEU 32 3.381 5.445 2.774 231 HB2 LEU 32 2HB LEU 32 1.535 4.188 3.260 232 HB3 LEU 32 1HB LEU 32 0.958 5.301 4.491 233 HG LEU 32 HG LEU 32 0.778 6.268 1.648 234 HD11 LEU 32 1HD1 LEU 32 0.079 3.993 1.317 235 HD12 LEU 32 2HD1 LEU 32 -1.327 5.050 1.279 236 HD13 LEU 32 3HD1 LEU 32 -1.002 4.074 2.709 237 HD21 LEU 32 3HD2 LEU 32 -0.064 7.321 3.954 238 HD22 LEU 32 1HD2 LEU 32 -1.449 6.282 3.664 239 HD23 LEU 32 2HD2 LEU 32 -1.008 7.511 2.487 240 H GLY 33 H GLY 33 1.730 8.037 4.579 241 HA2 GLY 33 2HA GLY 33 0.938 9.624 2.484 242 HA3 GLY 33 1HA GLY 33 1.419 10.250 4.057 243 H THR 34 H THR 34 4.086 9.550 4.110 244 HA THR 34 HA THR 34 5.282 11.644 2.659 245 HB THR 34 HB THR 34 6.692 9.208 3.763 246 HG1 THR 34 1HG THR 34 6.512 11.495 5.276 247 HG21 THR 34 3HG2 THR 34 7.615 12.084 3.581 248 HG22 THR 34 1HG2 THR 34 7.947 10.889 2.325 249 HG23 THR 34 2HG2 THR 34 8.587 10.659 3.951 250 H VAL 35 H VAL 35 5.174 8.118 2.071 251 HA VAL 35 HA VAL 35 6.817 8.085 -0.208 252 HB VAL 35 HB VAL 35 4.502 6.272 0.525 253 HG11 VAL 35 1HG1 VAL 35 4.984 5.848 -1.761 254 HG12 VAL 35 2HG1 VAL 35 5.918 4.633 -0.885 255 HG13 VAL 35 3HG1 VAL 35 6.716 6.072 -1.520 256 HG21 VAL 35 3HG2 VAL 35 6.474 6.569 2.161 257 HG22 VAL 35 1HG2 VAL 35 7.453 5.767 0.933 258 HG23 VAL 35 2HG2 VAL 35 6.086 4.923 1.659 259 H MET 36 H MET 36 3.351 8.620 0.176 260 HA MET 36 HA MET 36 2.753 8.600 -2.634 261 HB2 MET 36 2HB MET 36 1.266 9.830 -0.307 262 HB3 MET 36 1HB MET 36 0.629 9.704 -1.947 263 HG2 MET 36 2HG MET 36 1.573 7.345 -0.290 264 HG3 MET 36 1HG MET 36 -0.114 7.826 -0.458 265 HE1 MET 36 3HE MET 36 -1.307 8.111 -2.489 266 HE2 MET 36 1HE MET 36 -1.582 6.387 -2.197 267 HE3 MET 36 2HE MET 36 -1.244 6.965 -3.827 268 H ARG 37 H ARG 37 3.326 11.235 -0.343 269 HA ARG 37 HA ARG 37 3.057 13.321 -2.282 270 HB2 ARG 37 2HB ARG 37 2.776 13.691 0.145 271 HB3 ARG 37 1HB ARG 37 4.515 13.450 0.353 272 HG2 ARG 37 2HG ARG 37 5.024 15.349 -1.041 273 HG3 ARG 37 1HG ARG 37 3.342 15.507 -1.545 274 HD2 ARG 37 2HD ARG 37 2.675 16.066 0.706 275 HD3 ARG 37 1HD ARG 37 4.315 15.797 1.288 276 HE ARG 37 HE ARG 37 4.549 17.690 -0.714 277 HH11 ARG 37 1HH2 ARG 37 2.827 17.386 2.293 278 HH12 ARG 37 2HH2 ARG 37 2.835 19.087 2.618 279 HH21 ARG 37 1HH1 ARG 37 4.548 19.917 -0.289 280 HH22 ARG 37 2HH1 ARG 37 3.809 20.521 1.156 281 H SER 38 H SER 38 5.917 11.845 -0.747 282 HA SER 38 HA SER 38 7.916 13.243 -2.019 283 HB2 SER 38 2HB SER 38 8.564 11.726 -0.317 284 HB3 SER 38 1HB SER 38 7.779 10.371 -1.121 285 HG SER 38 HG SER 38 9.981 11.842 -2.147 286 H LEU 39 H LEU 39 5.712 10.956 -3.378 287 HA LEU 39 HA LEU 39 7.347 10.382 -5.704 288 HB2 LEU 39 2HB LEU 39 4.553 9.687 -4.850 289 HB3 LEU 39 1HB LEU 39 5.133 9.309 -6.473 290 HG LEU 39 HG LEU 39 6.679 8.505 -3.995 291 HD11 LEU 39 1HD1 LEU 39 4.305 7.568 -3.987 292 HD12 LEU 39 2HD1 LEU 39 5.583 6.354 -4.006 293 HD13 LEU 39 3HD1 LEU 39 4.714 6.741 -5.487 294 HD21 LEU 39 3HD2 LEU 39 7.368 6.636 -5.698 295 HD22 LEU 39 1HD2 LEU 39 8.065 8.240 -5.901 296 HD23 LEU 39 2HD2 LEU 39 6.725 7.730 -6.923 297 H GLY 40 H GLY 40 5.315 12.910 -4.747 298 HA2 GLY 40 2HA GLY 40 5.149 14.920 -5.995 299 HA3 GLY 40 1HA GLY 40 5.347 13.999 -7.480 300 H GLN 41 H GLN 41 3.159 12.687 -5.165 301 HA GLN 41 HA GLN 41 0.935 13.122 -6.981 302 HB2 GLN 41 2HB GLN 41 1.138 11.686 -4.328 303 HB3 GLN 41 1HB GLN 41 -0.304 11.739 -5.331 304 HG2 GLN 41 2HG GLN 41 2.372 10.683 -6.268 305 HG3 GLN 41 1HG GLN 41 1.057 9.671 -5.681 306 HE21 GLN 41 1HE2 GLN 41 2.414 10.769 -8.517 307 HE22 GLN 41 2HE2 GLN 41 1.052 10.690 -9.525 308 H ASN 42 H ASN 42 -0.439 14.755 -6.884 309 HA ASN 42 HA ASN 42 -0.316 16.980 -5.354 310 HB2 ASN 42 2HB ASN 42 -2.588 15.612 -6.743 311 HB3 ASN 42 1HB ASN 42 -2.956 17.022 -5.756 312 HD21 ASN 42 1HD2 ASN 42 -0.904 15.940 -8.495 313 HD22 ASN 42 2HD2 ASN 42 -0.758 17.477 -9.197 314 HA PRO 43 HA PRO 43 -1.431 16.470 -1.117 315 HB2 PRO 43 2HB PRO 43 -3.837 18.184 -1.682 316 HB3 PRO 43 1HB PRO 43 -2.638 18.323 -0.382 317 HG2 PRO 43 2HG PRO 43 -2.619 19.912 -2.581 318 HG3 PRO 43 1HG PRO 43 -1.149 19.467 -1.696 319 HD2 PRO 43 2HD PRO 43 -2.019 18.605 -4.375 320 HD3 PRO 43 1HD PRO 43 -0.417 18.481 -3.626 321 H THR 44 H THR 44 -2.017 14.302 -1.084 322 HA THR 44 HA THR 44 -4.916 13.739 -1.209 323 HB THR 44 HB THR 44 -3.905 12.952 -3.309 324 HG1 THR 44 1HG THR 44 -5.473 11.617 -2.806 325 HG21 THR 44 3HG2 THR 44 -2.213 11.137 -1.576 326 HG22 THR 44 1HG2 THR 44 -1.607 12.611 -2.331 327 HG23 THR 44 2HG2 THR 44 -2.176 11.276 -3.333 328 H GLU 45 H GLU 45 -2.170 13.799 0.585 329 HA GLU 45 HA GLU 45 -2.055 11.392 1.978 330 HB2 GLU 45 2HB GLU 45 -1.029 12.680 3.790 331 HB3 GLU 45 1HB GLU 45 -0.426 13.241 2.231 332 HG2 GLU 45 2HG GLU 45 -2.083 15.084 2.272 333 HG3 GLU 45 1HG GLU 45 -2.618 14.553 3.864 334 H ALA 46 H ALA 46 -4.518 13.764 1.918 335 HA ALA 46 HA ALA 46 -5.677 13.124 4.490 336 HB1 ALA 46 1HB ALA 46 -7.554 14.538 3.709 337 HB2 ALA 46 2HB ALA 46 -6.795 14.642 2.119 338 HB3 ALA 46 3HB ALA 46 -5.999 15.349 3.525 339 H GLU 47 H GLU 47 -6.239 12.305 1.109 340 HA GLU 47 HA GLU 47 -8.624 10.856 1.367 341 HB2 GLU 47 2HB GLU 47 -7.262 11.586 -0.746 342 HB3 GLU 47 1HB GLU 47 -6.445 10.039 -0.553 343 HG2 GLU 47 2HG GLU 47 -9.449 10.393 -0.793 344 HG3 GLU 47 1HG GLU 47 -8.382 9.915 -2.111 345 H LEU 48 H LEU 48 -5.237 9.791 1.533 346 HA LEU 48 HA LEU 48 -5.795 7.062 2.044 347 HB2 LEU 48 2HB LEU 48 -3.414 8.849 2.467 348 HB3 LEU 48 1HB LEU 48 -3.397 7.194 3.062 349 HG LEU 48 HG LEU 48 -2.403 7.428 0.766 350 HD11 LEU 48 1HD1 LEU 48 -4.903 5.823 0.340 351 HD12 LEU 48 2HD1 LEU 48 -3.846 5.359 1.675 352 HD13 LEU 48 3HD1 LEU 48 -3.222 5.403 0.029 353 HD21 LEU 48 3HD2 LEU 48 -3.746 8.082 -1.097 354 HD22 LEU 48 1HD2 LEU 48 -4.090 9.277 0.156 355 HD23 LEU 48 2HD2 LEU 48 -5.232 7.971 -0.158 356 H GLN 49 H GLN 49 -4.901 9.722 4.238 357 HA GLN 49 HA GLN 49 -4.929 8.433 6.656 358 HB2 GLN 49 2HB GLN 49 -5.810 11.191 5.834 359 HB3 GLN 49 1HB GLN 49 -5.964 10.685 7.515 360 HG2 GLN 49 2HG GLN 49 -3.628 10.313 7.719 361 HG3 GLN 49 1HG GLN 49 -3.371 10.443 5.980 362 HE21 GLN 49 1HE2 GLN 49 -1.956 12.106 7.858 363 HE22 GLN 49 2HE2 GLN 49 -2.471 13.708 7.641 364 H ASP 50 H ASP 50 -7.729 9.598 4.841 365 HA ASP 50 HA ASP 50 -9.662 8.880 6.799 366 HB2 ASP 50 2HB ASP 50 -9.957 10.518 4.886 367 HB3 ASP 50 1HB ASP 50 -10.124 9.121 3.826 368 H MET 51 H MET 51 -8.280 7.212 3.988 369 HA MET 51 HA MET 51 -10.039 4.996 3.994 370 HB2 MET 51 2HB MET 51 -7.260 5.470 2.934 371 HB3 MET 51 1HB MET 51 -7.991 3.867 2.838 372 HG2 MET 51 2HG MET 51 -9.361 6.365 1.813 373 HG3 MET 51 1HG MET 51 -8.352 5.334 0.797 374 HE1 MET 51 3HE MET 51 -11.653 6.255 1.288 375 HE2 MET 51 1HE MET 51 -12.455 4.921 0.448 376 HE3 MET 51 2HE MET 51 -11.081 5.736 -0.296 377 H ILE 52 H ILE 52 -6.827 5.449 5.484 378 HA ILE 52 HA ILE 52 -6.676 2.874 6.625 379 HB ILE 52 HB ILE 52 -5.379 5.501 7.427 380 HG12 ILE 52 2HG1 ILE 52 -4.418 3.053 5.901 381 HG13 ILE 52 1HG1 ILE 52 -4.713 4.655 5.230 382 HG21 ILE 52 1HG2 ILE 52 -4.840 2.685 8.438 383 HG22 ILE 52 2HG2 ILE 52 -5.449 4.026 9.398 384 HG23 ILE 52 3HG2 ILE 52 -3.810 4.074 8.764 385 HD11 ILE 52 3HD1 ILE 52 -2.383 3.642 6.742 386 HD12 ILE 52 1HD1 ILE 52 -2.932 5.241 7.250 387 HD13 ILE 52 2HD1 ILE 52 -2.474 4.956 5.571 388 H ASN 53 H ASN 53 -7.926 5.947 7.850 389 HA ASN 53 HA ASN 53 -8.482 5.268 10.473 390 HB2 ASN 53 2HB ASN 53 -8.747 7.530 9.567 391 HB3 ASN 53 1HB ASN 53 -10.124 6.993 8.609 392 HD21 ASN 53 1HD2 ASN 53 -11.741 8.256 9.684 393 HD22 ASN 53 2HD2 ASN 53 -12.154 8.024 11.315 394 H GLU 54 H GLU 54 -9.882 4.007 7.603 395 HA GLU 54 HA GLU 54 -12.268 3.004 9.023 396 HB2 GLU 54 2HB GLU 54 -12.594 4.085 6.818 397 HB3 GLU 54 1HB GLU 54 -11.566 2.858 6.079 398 HG2 GLU 54 2HG GLU 54 -13.115 1.095 6.793 399 HG3 GLU 54 1HG GLU 54 -14.120 2.288 7.611 400 H VAL 55 H VAL 55 -9.815 1.682 6.759 401 HA VAL 55 HA VAL 55 -10.420 -1.018 7.482 402 HB VAL 55 HB VAL 55 -8.454 -1.588 6.083 403 HG11 VAL 55 1HG1 VAL 55 -10.257 0.539 4.885 404 HG12 VAL 55 2HG1 VAL 55 -10.680 -1.164 5.070 405 HG13 VAL 55 3HG1 VAL 55 -9.368 -0.692 3.988 406 HG21 VAL 55 3HG2 VAL 55 -8.165 1.383 5.604 407 HG22 VAL 55 1HG2 VAL 55 -7.084 0.100 5.082 408 HG23 VAL 55 2HG2 VAL 55 -7.176 0.540 6.785 409 H ASP 56 H ASP 56 -9.611 0.696 9.761 410 HA ASP 56 HA ASP 56 -6.985 -0.358 10.522 411 HB2 ASP 56 2HB ASP 56 -7.896 2.028 11.004 412 HB3 ASP 56 1HB ASP 56 -8.799 1.257 12.306 413 H ALA 57 H ALA 57 -6.866 -2.345 11.315 414 HA ALA 57 HA ALA 57 -9.006 -3.919 12.158 415 HB1 ALA 57 1HB ALA 57 -7.185 -5.366 13.173 416 HB2 ALA 57 2HB ALA 57 -6.042 -4.130 12.647 417 HB3 ALA 57 3HB ALA 57 -7.015 -4.996 11.458 418 H ASP 58 H ASP 58 -6.387 -2.799 14.357 419 HA ASP 58 HA ASP 58 -8.209 -3.111 16.628 420 HB2 ASP 58 2HB ASP 58 -5.832 -3.964 16.586 421 HB3 ASP 58 1HB ASP 58 -5.312 -2.281 16.659 422 H GLY 59 H GLY 59 -7.471 -0.652 14.503 423 HA2 GLY 59 2HA GLY 59 -8.170 1.586 14.589 424 HA3 GLY 59 1HA GLY 59 -8.600 1.349 16.281 425 H ASN 60 H ASN 60 -5.504 0.242 15.402 426 HA ASN 60 HA ASN 60 -4.171 2.009 17.183 427 HB2 ASN 60 2HB ASN 60 -3.624 -0.453 16.464 428 HB3 ASN 60 1HB ASN 60 -2.758 0.309 15.135 429 HD21 ASN 60 1HD2 ASN 60 -3.025 0.575 18.736 430 HD22 ASN 60 2HD2 ASN 60 -1.374 0.897 18.975 431 H GLY 61 H GLY 61 -4.944 2.082 13.850 432 HA2 GLY 61 2HA GLY 61 -4.805 3.977 12.474 433 HA3 GLY 61 1HA GLY 61 -3.586 4.652 13.550 434 H THR 62 H THR 62 -3.247 1.349 12.622 435 HA THR 62 HA THR 62 -1.331 2.032 10.487 436 HB THR 62 HB THR 62 0.440 0.885 11.451 437 HG1 THR 62 1HG THR 62 -0.766 -0.999 11.953 438 HG21 THR 62 3HG2 THR 62 -0.189 2.940 12.744 439 HG22 THR 62 1HG2 THR 62 0.711 1.749 13.679 440 HG23 THR 62 2HG2 THR 62 -1.034 1.896 13.889 441 H ILE 63 H ILE 63 -0.718 0.175 9.163 442 HA ILE 63 HA ILE 63 -2.910 -1.833 9.000 443 HB ILE 63 HB ILE 63 -1.032 -0.978 6.793 444 HG12 ILE 63 2HG1 ILE 63 -2.347 0.960 7.402 445 HG13 ILE 63 1HG1 ILE 63 -3.042 0.276 5.935 446 HG21 ILE 63 1HG2 ILE 63 -2.057 -3.197 6.537 447 HG22 ILE 63 2HG2 ILE 63 -2.733 -2.060 5.369 448 HG23 ILE 63 3HG2 ILE 63 -3.652 -2.497 6.810 449 HD11 ILE 63 3HD1 ILE 63 -4.095 0.179 8.749 450 HD12 ILE 63 1HD1 ILE 63 -4.593 -1.042 7.577 451 HD13 ILE 63 2HD1 ILE 63 -4.921 0.663 7.272 452 H ASP 64 H ASP 64 -2.428 -3.894 9.307 453 HA ASP 64 HA ASP 64 0.363 -4.662 9.736 454 HB2 ASP 64 2HB ASP 64 -0.839 -6.868 10.448 455 HB3 ASP 64 1HB ASP 64 -0.971 -5.444 11.479 456 H PHE 65 H PHE 65 0.683 -7.126 9.117 457 HA PHE 65 HA PHE 65 1.235 -7.251 6.427 458 HB2 PHE 65 2HB PHE 65 1.070 -9.186 8.670 459 HB3 PHE 65 1HB PHE 65 0.965 -9.920 7.076 460 HD1 PHE 65 1HD PHE 65 2.882 -7.038 8.485 461 HD2 PHE 65 2HD PHE 65 3.018 -10.831 6.479 462 HE1 PHE 65 1HE PHE 65 5.342 -6.857 8.299 463 HE2 PHE 65 2HE PHE 65 5.470 -10.646 6.279 464 HZ PHE 65 HZ PHE 65 6.636 -8.657 7.187 465 HA PRO 66 HA PRO 66 -2.556 -10.063 5.408 466 HB2 PRO 66 2HB PRO 66 -4.591 -10.116 7.324 467 HB3 PRO 66 1HB PRO 66 -3.318 -11.340 7.164 468 HG2 PRO 66 2HG PRO 66 -3.479 -9.015 9.032 469 HG3 PRO 66 1HG PRO 66 -2.929 -10.670 9.342 470 HD2 PRO 66 2HD PRO 66 -1.173 -8.673 8.997 471 HD3 PRO 66 1HD PRO 66 -0.857 -10.307 8.374 472 H GLU 67 H GLU 67 -3.583 -7.406 7.531 473 HA GLU 67 HA GLU 67 -5.852 -6.597 6.199 474 HB2 GLU 67 2HB GLU 67 -3.781 -5.013 7.719 475 HB3 GLU 67 1HB GLU 67 -5.259 -4.278 7.093 476 HG2 GLU 67 2HG GLU 67 -5.241 -6.720 8.880 477 HG3 GLU 67 1HG GLU 67 -5.415 -5.075 9.488 478 H PHE 68 H PHE 68 -2.502 -5.527 5.620 479 HA PHE 68 HA PHE 68 -3.068 -3.729 3.551 480 HB2 PHE 68 2HB PHE 68 -0.885 -3.839 4.625 481 HB3 PHE 68 1HB PHE 68 -0.629 -5.463 3.985 482 HD1 PHE 68 2HD PHE 68 -0.571 -5.796 1.473 483 HD2 PHE 68 1HD PHE 68 -0.440 -1.913 3.307 484 HE1 PHE 68 2HE PHE 68 0.307 -4.839 -0.629 485 HE2 PHE 68 1HE PHE 68 0.441 -0.951 1.190 486 HZ PHE 68 HZ PHE 68 0.806 -2.423 -0.777 487 H LEU 69 H LEU 69 -2.152 -7.168 3.445 488 HA LEU 69 HA LEU 69 -2.252 -7.412 0.669 489 HB2 LEU 69 2HB LEU 69 -1.234 -9.143 2.032 490 HB3 LEU 69 1HB LEU 69 -2.760 -9.453 2.855 491 HG LEU 69 HG LEU 69 -2.082 -11.115 1.034 492 HD11 LEU 69 1HD1 LEU 69 -4.743 -10.084 0.150 493 HD12 LEU 69 2HD1 LEU 69 -4.584 -10.438 1.877 494 HD13 LEU 69 3HD1 LEU 69 -4.260 -11.699 0.679 495 HD21 LEU 69 3HD2 LEU 69 -2.248 -10.524 -1.259 496 HD22 LEU 69 1HD2 LEU 69 -1.339 -9.201 -0.514 497 HD23 LEU 69 2HD2 LEU 69 -3.048 -8.988 -0.886 498 H THR 70 H THR 70 -4.781 -8.312 3.044 499 HA THR 70 HA THR 70 -6.731 -9.048 1.226 500 HB THR 70 HB THR 70 -7.243 -7.644 3.837 501 HG1 THR 70 1HG THR 70 -7.160 -10.378 3.806 502 HG21 THR 70 3HG2 THR 70 -9.288 -8.874 3.886 503 HG22 THR 70 1HG2 THR 70 -8.772 -9.916 2.561 504 HG23 THR 70 2HG2 THR 70 -9.171 -8.227 2.251 505 H MET 71 H MET 71 -6.699 -5.928 2.945 506 HA MET 71 HA MET 71 -8.684 -4.649 1.614 507 HB2 MET 71 2HB MET 71 -7.797 -2.603 2.330 508 HB3 MET 71 1HB MET 71 -7.173 -3.774 3.481 509 HG2 MET 71 2HG MET 71 -5.017 -3.770 2.474 510 HG3 MET 71 1HG MET 71 -5.556 -2.892 1.057 511 HE1 MET 71 3HE MET 71 -4.941 -1.319 5.285 512 HE2 MET 71 1HE MET 71 -4.940 -2.992 4.717 513 HE3 MET 71 2HE MET 71 -6.463 -2.127 4.923 514 H MET 72 H MET 72 -5.592 -5.544 0.246 515 HA MET 72 HA MET 72 -5.909 -3.725 -2.014 516 HB2 MET 72 2HB MET 72 -3.713 -4.132 -2.393 517 HB3 MET 72 1HB MET 72 -3.734 -4.912 -0.822 518 HG2 MET 72 2HG MET 72 -2.751 -6.495 -2.229 519 HG3 MET 72 1HG MET 72 -4.408 -7.064 -2.130 520 HE1 MET 72 3HE MET 72 -1.577 -6.329 -4.632 521 HE2 MET 72 1HE MET 72 -1.968 -4.820 -3.797 522 HE3 MET 72 2HE MET 72 -2.244 -4.969 -5.531 523 H ALA 73 H ALA 73 -6.609 -7.024 -1.196 524 HA ALA 73 HA ALA 73 -7.269 -7.737 -3.971 525 HB1 ALA 73 1HB ALA 73 -7.029 -9.327 -1.410 526 HB2 ALA 73 2HB ALA 73 -6.003 -9.411 -2.844 527 HB3 ALA 73 3HB ALA 73 -7.657 -10.020 -2.908 528 H ARG 74 H ARG 74 -8.861 -5.969 -1.944 529 HA ARG 74 HA ARG 74 -11.415 -7.454 -2.013 530 HB2 ARG 74 2HB ARG 74 -10.542 -5.002 -0.471 531 HB3 ARG 74 1HB ARG 74 -12.170 -5.680 -0.421 532 HG2 ARG 74 2HG ARG 74 -9.834 -7.501 0.131 533 HG3 ARG 74 1HG ARG 74 -10.353 -6.393 1.396 534 HD2 ARG 74 2HD ARG 74 -12.193 -8.330 -0.028 535 HD3 ARG 74 1HD ARG 74 -11.420 -8.651 1.524 536 HE ARG 74 HE ARG 74 -12.731 -6.204 1.760 537 HH11 ARG 74 1HH2 ARG 74 -13.471 -9.534 1.114 538 HH12 ARG 74 2HH2 ARG 74 -15.040 -9.470 1.846 539 HH21 ARG 74 1HH1 ARG 74 -14.797 -6.116 2.724 540 HH22 ARG 74 2HH1 ARG 74 -15.789 -7.535 2.758 541 H LYS 75 H LYS 75 -9.697 -5.227 -3.781 542 HA LYS 75 HA LYS 75 -10.223 -3.803 -5.488 543 HB2 LYS 75 2HB LYS 75 -12.785 -5.415 -5.400 544 HB3 LYS 75 1HB LYS 75 -12.407 -4.238 -6.661 545 HG2 LYS 75 2HG LYS 75 -10.353 -5.486 -7.217 546 HG3 LYS 75 1HG LYS 75 -10.721 -6.657 -5.952 547 HD2 LYS 75 2HD LYS 75 -12.841 -7.219 -7.105 548 HD3 LYS 75 1HD LYS 75 -12.429 -6.083 -8.390 549 HE2 LYS 75 2HE LYS 75 -10.692 -8.438 -7.594 550 HE3 LYS 75 1HE LYS 75 -11.845 -8.471 -8.929 551 HZ1 LYS 75 3HZ LYS 75 -10.132 -7.724 -10.121 552 HZ2 LYS 75 1HZ LYS 75 -9.257 -7.217 -8.759 553 HZ3 LYS 75 2HZ LYS 75 -10.467 -6.217 -9.413 554 H MET 76 H MET 76 -10.672 -2.961 -2.777 555 HA MET 76 HA MET 76 -12.948 -1.672 -2.078 556 HB2 MET 76 2HB MET 76 -10.156 -0.506 -1.967 557 HB3 MET 76 1HB MET 76 -11.542 0.101 -1.061 558 HG2 MET 76 2HG MET 76 -10.418 -2.706 -0.858 559 HG3 MET 76 1HG MET 76 -10.139 -1.419 0.307 560 HE1 MET 76 3HE MET 76 -13.239 -0.833 2.162 561 HE2 MET 76 1HE MET 76 -13.207 -0.013 0.596 562 HE3 MET 76 2HE MET 76 -11.720 -0.221 1.517 563 H LYS 77 H LYS 77 -14.334 -0.576 -3.243 564 HA LYS 77 HA LYS 77 -13.658 1.877 -4.559 565 HB2 LYS 77 2HB LYS 77 -12.855 0.281 -6.286 566 HB3 LYS 77 1HB LYS 77 -14.456 -0.452 -6.339 567 HG2 LYS 77 2HG LYS 77 -15.440 1.653 -7.090 568 HG3 LYS 77 1HG LYS 77 -13.883 2.467 -6.934 569 HD2 LYS 77 2HD LYS 77 -12.925 0.954 -8.649 570 HD3 LYS 77 1HD LYS 77 -14.494 0.165 -8.818 571 HE2 LYS 77 2HE LYS 77 -14.015 3.125 -9.300 572 HE3 LYS 77 1HE LYS 77 -14.069 1.910 -10.575 573 HZ1 LYS 77 3HZ LYS 77 -16.319 1.337 -9.833 574 HZ2 LYS 77 1HZ LYS 77 -16.198 2.946 -10.358 575 HZ3 LYS 77 2HZ LYS 77 -16.257 2.599 -8.696 576 H1 GLY 45 1HT GLY 45 -16.192 5.268 -7.881 577 H2 GLY 45 2HT GLY 45 -16.619 6.598 -6.910 578 H3 GLY 45 3HT GLY 45 -17.311 5.073 -6.622 579 HA2 GLY 45 2HA GLY 45 -15.498 5.748 -5.042 580 HA3 GLY 45 1HA GLY 45 -15.312 4.176 -5.820 581 H THR 46 H THR 46 -13.701 6.981 -5.083 582 HA THR 46 HA THR 46 -11.712 6.553 -7.247 583 HB THR 46 HB THR 46 -12.472 9.206 -5.989 584 HG1 THR 46 1HG THR 46 -13.547 9.568 -7.817 585 HG21 THR 46 3HG2 THR 46 -10.964 10.051 -7.861 586 HG22 THR 46 1HG2 THR 46 -10.424 8.385 -8.063 587 HG23 THR 46 2HG2 THR 46 -10.133 9.228 -6.542 588 H GLY 47 H GLY 47 -9.687 6.230 -6.609 589 HA2 GLY 47 2HA GLY 47 -7.781 6.505 -5.229 590 HA3 GLY 47 1HA GLY 47 -8.826 6.997 -3.903 591 H ALA 48 H ALA 48 -8.895 5.577 -2.321 592 HA ALA 48 HA ALA 48 -8.439 3.592 -1.195 593 HB1 ALA 48 1HB ALA 48 -10.797 3.540 -1.355 594 HB2 ALA 48 2HB ALA 48 -10.259 1.919 -1.788 595 HB3 ALA 48 3HB ALA 48 -10.754 3.050 -3.047 596 H ALA 49 H ALA 49 -9.578 1.522 -3.668 597 HA ALA 49 HA ALA 49 -7.305 -0.124 -3.637 598 HB1 ALA 49 1HB ALA 49 -8.345 -1.137 -5.715 599 HB2 ALA 49 2HB ALA 49 -9.579 0.120 -5.611 600 HB3 ALA 49 3HB ALA 49 -9.404 -1.053 -4.307 601 H LEU 50 H LEU 50 -8.293 2.413 -5.888 602 HA LEU 50 HA LEU 50 -6.257 2.011 -7.796 603 HB2 LEU 50 2HB LEU 50 -8.238 3.358 -8.286 604 HB3 LEU 50 1HB LEU 50 -7.774 4.528 -7.055 605 HG LEU 50 HG LEU 50 -5.751 5.101 -8.321 606 HD11 LEU 50 1HD1 LEU 50 -5.060 3.143 -9.424 607 HD12 LEU 50 2HD1 LEU 50 -5.700 4.109 -10.752 608 HD13 LEU 50 3HD1 LEU 50 -6.669 2.810 -10.059 609 HD21 LEU 50 3HD2 LEU 50 -8.138 5.065 -10.192 610 HD22 LEU 50 1HD2 LEU 50 -6.820 6.235 -10.165 611 HD23 LEU 50 2HD2 LEU 50 -7.981 6.185 -8.837 612 H SER 51 H SER 51 -6.456 4.010 -4.895 613 HA SER 51 HA SER 51 -4.054 5.433 -5.165 614 HB2 SER 51 2HB SER 51 -5.484 4.476 -2.674 615 HB3 SER 51 1HB SER 51 -4.200 5.683 -2.692 616 HG SER 51 HG SER 51 -5.503 7.048 -3.802 617 H TRP 52 H TRP 52 -4.764 2.306 -3.677 618 HA TRP 52 HA TRP 52 -2.144 1.795 -2.720 619 HB2 TRP 52 2HB TRP 52 -4.520 0.042 -3.340 620 HB3 TRP 52 1HB TRP 52 -3.004 -0.630 -2.744 621 HD1 TRP 52 HD TRP 52 -6.183 0.585 -1.506 622 HE1 TRP 52 1HE TRP 52 -6.057 1.232 0.984 623 HE3 TRP 52 3HE TRP 52 -1.113 0.767 -0.889 624 HZ2 TRP 52 2HZ TRP 52 -4.078 1.754 2.983 625 HZ3 TRP 52 3HZ TRP 52 -0.136 1.334 1.317 626 HH2 TRP 52 HH TRP 52 -1.606 1.828 3.257 627 H GLN 53 H GLN 53 -3.848 0.824 -5.695 628 HA GLN 53 HA GLN 53 -1.718 -0.703 -6.781 629 HB2 GLN 53 2HB GLN 53 -4.103 0.642 -8.061 630 HB3 GLN 53 1HB GLN 53 -2.977 -0.384 -8.950 631 HG2 GLN 53 2HG GLN 53 -3.452 -2.254 -7.430 632 HG3 GLN 53 1HG GLN 53 -4.547 -1.232 -6.500 633 HE21 GLN 53 1HE2 GLN 53 -4.575 -3.592 -8.843 634 HE22 GLN 53 2HE2 GLN 53 -6.024 -3.191 -9.632 635 H ALA 54 H ALA 54 -2.603 2.718 -7.111 636 HA ALA 54 HA ALA 54 -0.684 3.296 -9.141 637 HB1 ALA 54 1HB ALA 54 -2.641 4.719 -8.742 638 HB2 ALA 54 2HB ALA 54 -1.145 5.645 -8.614 639 HB3 ALA 54 3HB ALA 54 -2.006 5.153 -7.155 640 H ALA 55 H ALA 55 -0.610 3.407 -5.613 641 HA ALA 55 HA ALA 55 1.883 4.764 -5.389 642 HB1 ALA 55 1HB ALA 55 0.063 4.433 -3.604 643 HB2 ALA 55 2HB ALA 55 1.743 4.306 -3.082 644 HB3 ALA 55 3HB ALA 55 0.786 2.847 -3.341 645 H ILE 56 H ILE 56 0.986 1.333 -5.369 646 HA ILE 56 HA ILE 56 3.586 0.370 -4.825 647 HB ILE 56 HB ILE 56 1.167 -0.778 -4.832 648 HG12 ILE 56 2HG1 ILE 56 3.107 -1.792 -3.816 649 HG13 ILE 56 1HG1 ILE 56 2.312 -3.005 -4.817 650 HG21 ILE 56 1HG2 ILE 56 1.032 -0.665 -7.357 651 HG22 ILE 56 2HG2 ILE 56 0.752 -2.258 -6.670 652 HG23 ILE 56 3HG2 ILE 56 2.309 -1.871 -7.414 653 HD11 ILE 56 3HD1 ILE 56 4.579 -3.252 -5.396 654 HD12 ILE 56 1HD1 ILE 56 4.878 -1.515 -5.334 655 HD13 ILE 56 2HD1 ILE 56 3.970 -2.200 -6.680 656 H ASP 57 H ASP 57 1.843 1.032 -7.820 657 HA ASP 57 HA ASP 57 3.666 -0.115 -9.612 658 HB2 ASP 57 2HB ASP 57 1.574 2.035 -9.809 659 HB3 ASP 57 1HB ASP 57 2.598 1.682 -11.195 660 H ALA 58 H ALA 58 3.434 3.136 -8.264 661 HA ALA 58 HA ALA 58 5.651 4.174 -9.742 662 HB1 ALA 58 1HB ALA 58 5.514 6.078 -8.191 663 HB2 ALA 58 2HB ALA 58 4.383 5.174 -7.184 664 HB3 ALA 58 3HB ALA 58 3.924 5.645 -8.819 665 H ALA 59 H ALA 59 5.259 2.730 -6.539 666 HA ALA 59 HA ALA 59 7.867 3.237 -5.576 667 HB1 ALA 59 1HB ALA 59 6.206 0.808 -4.886 668 HB2 ALA 59 2HB ALA 59 5.829 2.415 -4.264 669 HB3 ALA 59 3HB ALA 59 7.372 1.657 -3.867 670 H ARG 60 H ARG 60 6.476 0.578 -7.440 671 HA ARG 60 HA ARG 60 8.735 -1.105 -7.426 672 HB2 ARG 60 2HB ARG 60 6.207 -1.417 -8.263 673 HB3 ARG 60 1HB ARG 60 6.928 -1.029 -9.822 674 HG2 ARG 60 2HG ARG 60 7.810 -3.239 -7.947 675 HG3 ARG 60 1HG ARG 60 6.936 -3.454 -9.465 676 HD2 ARG 60 2HD ARG 60 8.912 -2.166 -10.546 677 HD3 ARG 60 1HD ARG 60 9.766 -2.507 -9.043 678 HE ARG 60 HE ARG 60 8.838 -4.488 -11.007 679 HH11 ARG 60 1HH2 ARG 60 10.573 -3.694 -8.074 680 HH12 ARG 60 2HH2 ARG 60 11.277 -5.268 -7.926 681 HH21 ARG 60 1HH1 ARG 60 9.759 -6.532 -10.781 682 HH22 ARG 60 2HH1 ARG 60 10.814 -6.870 -9.452 683 H GLN 61 H GLN 61 7.640 1.340 -9.785 684 HA GLN 61 HA GLN 61 9.824 0.999 -11.558 685 HB2 GLN 61 2HB GLN 61 7.690 2.131 -12.171 686 HB3 GLN 61 1HB GLN 61 8.136 3.479 -11.126 687 HG2 GLN 61 2HG GLN 61 8.733 4.019 -13.420 688 HG3 GLN 61 1HG GLN 61 10.209 3.794 -12.485 689 HE21 GLN 61 1HE2 GLN 61 11.615 2.964 -14.088 690 HE22 GLN 61 2HE2 GLN 61 11.303 1.549 -14.975 691 H ALA 62 H ALA 62 9.248 3.120 -8.803 692 HA ALA 62 HA ALA 62 11.603 4.674 -9.052 693 HB1 ALA 62 1HB ALA 62 11.105 5.483 -6.869 694 HB2 ALA 62 2HB ALA 62 10.180 4.037 -6.466 695 HB3 ALA 62 3HB ALA 62 9.548 5.190 -7.641 696 H LYS 63 H LYS 63 10.866 1.645 -7.388 697 HA LYS 63 HA LYS 63 13.271 1.399 -5.934 698 HB2 LYS 63 2HB LYS 63 11.244 0.021 -5.523 699 HB3 LYS 63 1HB LYS 63 11.525 -0.810 -7.053 700 HG2 LYS 63 2HG LYS 63 13.679 -1.630 -6.256 701 HG3 LYS 63 1HG LYS 63 13.499 -0.719 -4.756 702 HD2 LYS 63 2HD LYS 63 11.471 -2.029 -4.211 703 HD3 LYS 63 1HD LYS 63 11.681 -2.959 -5.696 704 HE2 LYS 63 2HE LYS 63 13.796 -2.776 -3.535 705 HE3 LYS 63 1HE LYS 63 12.609 -4.078 -3.621 706 HZ1 LYS 63 3HZ LYS 63 14.424 -4.906 -4.768 707 HZ2 LYS 63 1HZ LYS 63 14.773 -3.422 -5.512 708 HZ3 LYS 63 2HZ LYS 63 13.426 -4.327 -6.015 709 H LEU 64 H LEU 64 12.338 0.160 -9.137 710 HA LEU 64 HA LEU 64 14.777 -1.144 -9.702 711 HB2 LEU 64 2HB LEU 64 12.646 -0.007 -11.520 712 HB3 LEU 64 1HB LEU 64 13.993 -0.995 -12.090 713 HG LEU 64 HG LEU 64 12.021 -1.877 -9.959 714 HD11 LEU 64 1HD1 LEU 64 12.114 -2.627 -12.895 715 HD12 LEU 64 2HD1 LEU 64 10.913 -1.569 -12.157 716 HD13 LEU 64 3HD1 LEU 64 10.994 -3.269 -11.697 717 HD21 LEU 64 3HD2 LEU 64 13.896 -3.245 -9.633 718 HD22 LEU 64 1HD2 LEU 64 14.377 -3.172 -11.330 719 HD23 LEU 64 2HD2 LEU 64 13.018 -4.183 -10.835 720 H MET 65 H MET 65 13.648 2.142 -10.395 721 HA MET 65 HA MET 65 15.887 2.915 -11.948 722 HB2 MET 65 2HB MET 65 13.748 4.134 -11.962 723 HB3 MET 65 1HB MET 65 14.029 4.641 -10.296 724 HG2 MET 65 2HG MET 65 16.056 5.837 -10.970 725 HG3 MET 65 1HG MET 65 15.869 5.265 -12.628 726 HE1 MET 65 3HE MET 65 16.228 7.477 -13.352 727 HE2 MET 65 1HE MET 65 16.059 8.533 -11.944 728 HE3 MET 65 2HE MET 65 15.072 8.806 -13.378 729 H GLY 66 H GLY 66 15.219 3.045 -8.476 730 HA2 GLY 66 2HA GLY 66 16.773 3.055 -6.740 731 HA3 GLY 66 1HA GLY 66 18.059 3.285 -7.918 732 H SER 67 H SER 67 15.716 5.527 -8.622 733 HA SER 67 HA SER 67 16.771 7.560 -6.745 734 HB2 SER 67 2HB SER 67 16.615 7.808 -9.754 735 HB3 SER 67 1HB SER 67 16.859 9.169 -8.663 736 HG SER 67 HG SER 67 18.627 7.344 -9.549 737 H ALA 68 H ALA 68 15.415 9.363 -6.413 738 HA ALA 68 HA ALA 68 12.728 9.339 -7.564 739 HB1 ALA 68 1HB ALA 68 11.592 9.206 -5.435 740 HB2 ALA 68 2HB ALA 68 13.127 9.151 -4.570 741 HB3 ALA 68 3HB ALA 68 12.640 7.796 -5.589 Start of MODEL 13 1 H1 ALA 1 1HT ALA 1 -5.884 -27.785 2.233 2 H2 ALA 1 2HT ALA 1 -4.672 -26.731 2.790 3 H3 ALA 1 3HT ALA 1 -4.331 -27.842 1.552 4 HA ALA 1 HA ALA 1 -5.678 -26.710 0.009 5 HB1 ALA 1 2HB ALA 1 -6.898 -24.628 0.752 6 HB2 ALA 1 3HB ALA 1 -6.532 -25.076 2.417 7 HB3 ALA 1 1HB ALA 1 -7.548 -26.122 1.424 8 H ASP 2 H ASP 2 -4.161 -25.836 -1.162 9 HA ASP 2 HA ASP 2 -1.864 -24.561 -0.077 10 HB2 ASP 2 2HB ASP 2 -2.919 -24.928 -2.876 11 HB3 ASP 2 1HB ASP 2 -1.383 -24.128 -2.538 12 H GLN 3 H GLN 3 -1.193 -22.443 -0.151 13 HA GLN 3 HA GLN 3 -3.227 -20.450 0.091 14 HB2 GLN 3 2HB GLN 3 -0.206 -20.276 0.000 15 HB3 GLN 3 1HB GLN 3 -1.256 -18.889 0.296 16 HG2 GLN 3 2HG GLN 3 -2.224 -20.038 2.258 17 HG3 GLN 3 1HG GLN 3 -1.172 -21.422 1.964 18 HE21 GLN 3 1HE2 GLN 3 -0.675 -20.516 4.390 19 HE22 GLN 3 2HE2 GLN 3 0.667 -19.479 4.470 20 H LEU 4 H LEU 4 -2.878 -18.299 -1.133 21 HA LEU 4 HA LEU 4 -3.710 -18.463 -3.712 22 HB2 LEU 4 2HB LEU 4 -2.073 -16.153 -3.751 23 HB3 LEU 4 1HB LEU 4 -3.772 -16.221 -3.308 24 HG LEU 4 HG LEU 4 -1.651 -16.871 -1.259 25 HD11 LEU 4 1HD1 LEU 4 -0.970 -14.734 -2.132 26 HD12 LEU 4 2HD1 LEU 4 -1.766 -14.472 -0.581 27 HD13 LEU 4 3HD1 LEU 4 -2.627 -14.134 -2.083 28 HD21 LEU 4 3HD2 LEU 4 -4.241 -17.214 -1.015 29 HD22 LEU 4 1HD2 LEU 4 -4.292 -15.455 -0.863 30 HD23 LEU 4 2HD2 LEU 4 -3.371 -16.413 0.293 31 H THR 5 H THR 5 -0.479 -17.068 -3.533 32 HA THR 5 HA THR 5 0.744 -19.236 -5.026 33 HB THR 5 HB THR 5 0.545 -16.529 -6.358 34 HG1 THR 5 1HG THR 5 -1.172 -18.695 -6.324 35 HG21 THR 5 3HG2 THR 5 2.444 -18.234 -6.823 36 HG22 THR 5 1HG2 THR 5 1.561 -17.589 -8.202 37 HG23 THR 5 2HG2 THR 5 1.189 -19.199 -7.599 38 H GLU 6 H GLU 6 2.982 -19.147 -4.980 39 HA GLU 6 HA GLU 6 4.266 -17.930 -2.895 40 HB2 GLU 6 2HB GLU 6 5.243 -19.722 -4.343 41 HB3 GLU 6 1HB GLU 6 5.498 -18.511 -5.597 42 HG2 GLU 6 2HG GLU 6 6.983 -17.249 -4.125 43 HG3 GLU 6 1HG GLU 6 6.685 -18.386 -2.814 44 H GLU 7 H GLU 7 4.419 -16.772 -6.236 45 HA GLU 7 HA GLU 7 5.771 -14.410 -5.850 46 HB2 GLU 7 2HB GLU 7 4.509 -13.537 -7.817 47 HB3 GLU 7 1HB GLU 7 5.111 -15.175 -8.064 48 HG2 GLU 7 2HG GLU 7 2.717 -15.850 -7.090 49 HG3 GLU 7 1HG GLU 7 2.294 -14.234 -7.639 50 H GLN 8 H GLN 8 2.197 -14.640 -5.858 51 HA GLN 8 HA GLN 8 1.470 -12.150 -5.198 52 HB2 GLN 8 2HB GLN 8 0.375 -14.780 -4.230 53 HB3 GLN 8 1HB GLN 8 -0.427 -13.255 -3.866 54 HG2 GLN 8 2HG GLN 8 -0.663 -12.774 -6.239 55 HG3 GLN 8 1HG GLN 8 0.252 -14.211 -6.657 56 HE21 GLN 8 1HE2 GLN 8 -2.903 -13.014 -5.865 57 HE22 GLN 8 2HE2 GLN 8 -3.702 -14.514 -5.882 58 H ILE 9 H ILE 9 2.194 -14.595 -2.633 59 HA ILE 9 HA ILE 9 1.883 -12.749 -0.534 60 HB ILE 9 HB ILE 9 3.309 -14.414 0.770 61 HG12 ILE 9 2HG1 ILE 9 3.142 -15.895 -1.863 62 HG13 ILE 9 1HG1 ILE 9 4.618 -15.230 -1.170 63 HG21 ILE 9 1HG2 ILE 9 0.825 -14.513 0.592 64 HG22 ILE 9 2HG2 ILE 9 1.545 -16.113 0.725 65 HG23 ILE 9 3HG2 ILE 9 0.988 -15.524 -0.840 66 HD11 ILE 9 3HD1 ILE 9 4.206 -16.662 0.847 67 HD12 ILE 9 1HD1 ILE 9 4.545 -17.545 -0.638 68 HD13 ILE 9 2HD1 ILE 9 2.889 -17.428 -0.047 69 H ALA 10 H ALA 10 4.854 -13.791 -2.222 70 HA ALA 10 HA ALA 10 6.664 -12.244 -0.772 71 HB1 ALA 10 1HB ALA 10 8.177 -12.624 -2.567 72 HB2 ALA 10 2HB ALA 10 6.869 -12.754 -3.741 73 HB3 ALA 10 3HB ALA 10 7.116 -14.035 -2.553 74 H GLU 11 H GLU 11 4.799 -11.485 -3.679 75 HA GLU 11 HA GLU 11 5.746 -8.926 -4.227 76 HB2 GLU 11 2HB GLU 11 3.023 -10.178 -4.603 77 HB3 GLU 11 1HB GLU 11 3.414 -8.568 -5.207 78 HG2 GLU 11 2HG GLU 11 4.979 -11.068 -5.897 79 HG3 GLU 11 1HG GLU 11 3.718 -10.384 -6.915 80 H PHE 12 H PHE 12 3.179 -9.929 -1.958 81 HA PHE 12 HA PHE 12 2.382 -7.318 -1.259 82 HB2 PHE 12 2HB PHE 12 0.792 -8.585 -0.251 83 HB3 PHE 12 1HB PHE 12 1.765 -10.030 -0.488 84 HD1 PHE 12 1HD PHE 12 1.650 -6.991 1.706 85 HD2 PHE 12 2HD PHE 12 2.455 -11.195 1.421 86 HE1 PHE 12 1HE PHE 12 2.072 -7.071 4.141 87 HE2 PHE 12 2HE PHE 12 2.883 -11.275 3.847 88 HZ PHE 12 HZ PHE 12 2.683 -9.218 5.215 89 H LYS 13 H LYS 13 4.785 -9.521 0.154 90 HA LYS 13 HA LYS 13 5.516 -7.952 2.342 91 HB2 LYS 13 2HB LYS 13 6.235 -10.238 2.217 92 HB3 LYS 13 1HB LYS 13 7.094 -9.942 0.707 93 HG2 LYS 13 2HG LYS 13 7.916 -8.183 2.986 94 HG3 LYS 13 1HG LYS 13 8.307 -9.893 3.176 95 HD2 LYS 13 2HD LYS 13 9.608 -9.936 1.208 96 HD3 LYS 13 1HD LYS 13 8.948 -8.425 0.619 97 HE2 LYS 13 2HE LYS 13 10.090 -7.195 2.339 98 HE3 LYS 13 1HE LYS 13 10.645 -8.689 3.099 99 HZ1 LYS 13 3HZ LYS 13 12.268 -8.930 1.601 100 HZ2 LYS 13 1HZ LYS 13 12.011 -7.298 1.217 101 HZ3 LYS 13 2HZ LYS 13 11.260 -8.515 0.298 102 H GLU 14 H GLU 14 6.774 -8.043 -0.977 103 HA GLU 14 HA GLU 14 8.869 -6.205 -0.679 104 HB2 GLU 14 2HB GLU 14 7.086 -6.785 -3.050 105 HB3 GLU 14 1HB GLU 14 8.549 -5.809 -3.142 106 HG2 GLU 14 2HG GLU 14 8.440 -8.700 -2.214 107 HG3 GLU 14 1HG GLU 14 8.934 -8.180 -3.822 108 H ALA 15 H ALA 15 5.539 -5.615 -1.864 109 HA ALA 15 HA ALA 15 5.707 -2.827 -2.013 110 HB1 ALA 15 1HB ALA 15 3.380 -2.855 -2.275 111 HB2 ALA 15 2HB ALA 15 3.185 -4.272 -1.249 112 HB3 ALA 15 3HB ALA 15 3.875 -4.434 -2.865 113 H PHE 16 H PHE 16 4.738 -4.937 0.668 114 HA PHE 16 HA PHE 16 3.991 -2.937 2.473 115 HB2 PHE 16 2HB PHE 16 3.416 -4.953 3.383 116 HB3 PHE 16 1HB PHE 16 4.747 -5.793 2.613 117 HD1 PHE 16 1HD PHE 16 3.932 -3.489 5.450 118 HD2 PHE 16 2HD PHE 16 6.690 -6.345 3.812 119 HE1 PHE 16 1HE PHE 16 5.239 -3.451 7.559 120 HE2 PHE 16 2HE PHE 16 7.989 -6.309 5.915 121 HZ PHE 16 HZ PHE 16 7.270 -4.860 7.772 122 H SER 17 H SER 17 7.157 -4.518 2.056 123 HA SER 17 HA SER 17 8.556 -3.130 4.025 124 HB2 SER 17 2HB SER 17 9.332 -4.605 1.541 125 HB3 SER 17 1HB SER 17 10.556 -3.593 2.310 126 HG SER 17 HG SER 17 10.758 -5.367 3.451 127 H LEU 18 H LEU 18 7.701 -2.168 0.757 128 HA LEU 18 HA LEU 18 9.476 0.060 0.592 129 HB2 LEU 18 2HB LEU 18 6.922 -0.625 -0.858 130 HB3 LEU 18 1HB LEU 18 7.864 0.822 -1.219 131 HG LEU 18 HG LEU 18 8.961 -2.010 -1.297 132 HD11 LEU 18 1HD1 LEU 18 9.009 -1.479 -3.824 133 HD12 LEU 18 2HD1 LEU 18 7.861 -0.198 -3.450 134 HD13 LEU 18 3HD1 LEU 18 7.446 -1.875 -3.117 135 HD21 LEU 18 3HD2 LEU 18 10.682 -0.537 -2.799 136 HD22 LEU 18 1HD2 LEU 18 10.891 -0.764 -1.064 137 HD23 LEU 18 2HD2 LEU 18 10.153 0.715 -1.673 138 H PHE 19 H PHE 19 6.125 -0.270 1.666 139 HA PHE 19 HA PHE 19 5.866 2.572 2.143 140 HB2 PHE 19 2HB PHE 19 4.067 0.344 3.072 141 HB3 PHE 19 1HB PHE 19 3.661 2.055 2.953 142 HD1 PHE 19 2HD PHE 19 4.424 3.036 0.450 143 HD2 PHE 19 1HD PHE 19 3.130 -0.955 1.383 144 HE1 PHE 19 2HE PHE 19 3.759 2.701 -1.906 145 HE2 PHE 19 1HE PHE 19 2.452 -1.271 -0.950 146 HZ PHE 19 HZ PHE 19 2.769 0.542 -2.620 147 H ASP 20 H ASP 20 6.241 -0.311 4.206 148 HA ASP 20 HA ASP 20 6.061 1.103 6.652 149 HB2 ASP 20 2HB ASP 20 5.827 -1.345 6.470 150 HB3 ASP 20 1HB ASP 20 7.539 -1.477 6.065 151 H LYS 21 H LYS 21 7.508 2.906 5.541 152 HA LYS 21 HA LYS 21 10.268 2.707 5.334 153 HB2 LYS 21 2HB LYS 21 8.965 5.125 6.582 154 HB3 LYS 21 1HB LYS 21 10.375 5.072 5.535 155 HG2 LYS 21 2HG LYS 21 7.494 4.584 4.762 156 HG3 LYS 21 1HG LYS 21 8.518 5.910 4.242 157 HD2 LYS 21 2HD LYS 21 8.937 2.980 3.536 158 HD3 LYS 21 1HD LYS 21 8.316 4.222 2.460 159 HE2 LYS 21 2HE LYS 21 10.492 5.506 2.918 160 HE3 LYS 21 1HE LYS 21 11.103 4.005 3.610 161 HZ1 LYS 21 3HZ LYS 21 10.626 2.883 1.537 162 HZ2 LYS 21 1HZ LYS 21 11.672 4.192 1.277 163 HZ3 LYS 21 2HZ LYS 21 10.028 4.325 0.864 164 H ASP 22 H ASP 22 8.313 3.319 8.244 165 HA ASP 22 HA ASP 22 10.453 3.669 10.037 166 HB2 ASP 22 2HB ASP 22 7.814 2.351 10.690 167 HB3 ASP 22 1HB ASP 22 8.827 3.320 11.757 168 H GLY 23 H GLY 23 9.258 0.872 8.415 169 HA2 GLY 23 2HA GLY 23 9.847 -1.340 8.459 170 HA3 GLY 23 1HA GLY 23 11.377 -0.779 9.120 171 H ASP 24 H ASP 24 8.191 -0.443 10.651 172 HA ASP 24 HA ASP 24 9.230 -1.972 12.956 173 HB2 ASP 24 2HB ASP 24 7.641 -0.858 14.293 174 HB3 ASP 24 1HB ASP 24 8.272 0.372 13.206 175 H GLY 25 H GLY 25 7.029 -2.246 10.342 176 HA2 GLY 25 2HA GLY 25 6.258 -4.528 9.836 177 HA3 GLY 25 1HA GLY 25 5.879 -4.714 11.547 178 H THR 26 H THR 26 5.174 -1.602 10.441 179 HA THR 26 HA THR 26 2.428 -2.249 9.622 180 HB THR 26 HB THR 26 1.883 -0.203 11.301 181 HG1 THR 26 1HG THR 26 3.169 -0.188 13.022 182 HG21 THR 26 3HG2 THR 26 1.405 -2.066 13.058 183 HG22 THR 26 1HG2 THR 26 1.968 -3.172 11.799 184 HG23 THR 26 2HG2 THR 26 0.572 -2.128 11.505 185 H ILE 27 H ILE 27 1.361 -0.507 8.559 186 HA ILE 27 HA ILE 27 3.206 1.576 7.548 187 HB ILE 27 HB ILE 27 0.796 0.340 6.212 188 HG12 ILE 27 2HG1 ILE 27 3.694 0.243 5.375 189 HG13 ILE 27 1HG1 ILE 27 2.952 -1.015 6.366 190 HG21 ILE 27 1HG2 ILE 27 1.589 1.706 4.281 191 HG22 ILE 27 2HG2 ILE 27 2.722 2.512 5.362 192 HG23 ILE 27 3HG2 ILE 27 0.983 2.684 5.614 193 HD11 ILE 27 3HD1 ILE 27 1.816 -0.127 3.693 194 HD12 ILE 27 1HD1 ILE 27 1.342 -1.531 4.651 195 HD13 ILE 27 2HD1 ILE 27 2.922 -1.490 3.878 196 H THR 28 H THR 28 2.706 3.597 8.096 197 HA THR 28 HA THR 28 -0.020 4.171 9.155 198 HB THR 28 HB THR 28 1.824 4.308 10.828 199 HG1 THR 28 1HG THR 28 1.150 6.921 10.654 200 HG21 THR 28 3HG2 THR 28 3.536 5.121 9.205 201 HG22 THR 28 1HG2 THR 28 3.455 6.077 10.679 202 HG23 THR 28 2HG2 THR 28 2.724 6.681 9.194 203 H THR 29 H THR 29 -0.400 6.665 9.109 204 HA THR 29 HA THR 29 -0.746 7.427 6.423 205 HB THR 29 HB THR 29 -1.447 9.594 7.333 206 HG1 THR 29 1HG THR 29 -0.622 8.644 9.858 207 HG21 THR 29 3HG2 THR 29 -3.125 8.752 8.984 208 HG22 THR 29 1HG2 THR 29 -2.266 7.214 9.017 209 HG23 THR 29 2HG2 THR 29 -3.034 7.762 7.528 210 H LYS 30 H LYS 30 1.708 8.264 8.816 211 HA LYS 30 HA LYS 30 2.994 10.291 7.287 212 HB2 LYS 30 2HB LYS 30 3.991 8.583 9.575 213 HB3 LYS 30 1HB LYS 30 4.855 9.973 8.915 214 HG2 LYS 30 2HG LYS 30 2.886 11.407 9.421 215 HG3 LYS 30 1HG LYS 30 2.080 10.013 10.142 216 HD2 LYS 30 2HD LYS 30 4.730 11.163 11.067 217 HD3 LYS 30 1HD LYS 30 3.177 11.429 11.858 218 HE2 LYS 30 2HE LYS 30 3.923 9.625 13.111 219 HE3 LYS 30 1HE LYS 30 3.129 8.733 11.812 220 HZ1 LYS 30 3HZ LYS 30 5.070 7.962 11.098 221 HZ2 LYS 30 1HZ LYS 30 5.747 8.530 12.545 222 HZ3 LYS 30 2HZ LYS 30 5.804 9.495 11.147 223 H GLU 31 H GLU 31 3.672 6.826 7.752 224 HA GLU 31 HA GLU 31 6.027 6.685 6.233 225 HB2 GLU 31 2HB GLU 31 3.889 4.699 6.983 226 HB3 GLU 31 1HB GLU 31 5.167 4.233 5.877 227 HG2 GLU 31 2HG GLU 31 6.873 4.719 7.497 228 HG3 GLU 31 1HG GLU 31 5.713 5.453 8.594 229 H LEU 32 H LEU 32 2.754 5.676 5.219 230 HA LEU 32 HA LEU 32 3.374 5.487 2.486 231 HB2 LEU 32 2HB LEU 32 1.468 4.391 3.286 232 HB3 LEU 32 1HB LEU 32 0.785 5.843 4.003 233 HG LEU 32 HG LEU 32 0.552 6.752 1.627 234 HD11 LEU 32 1HD1 LEU 32 2.207 5.356 0.521 235 HD12 LEU 32 2HD1 LEU 32 0.624 5.008 -0.164 236 HD13 LEU 32 3HD1 LEU 32 1.341 3.895 0.999 237 HD21 LEU 32 3HD2 LEU 32 -0.889 4.132 2.032 238 HD22 LEU 32 1HD2 LEU 32 -1.457 5.568 1.183 239 HD23 LEU 32 2HD2 LEU 32 -1.283 5.595 2.936 240 H GLY 33 H GLY 33 1.783 8.090 4.328 241 HA2 GLY 33 2HA GLY 33 1.229 9.881 2.312 242 HA3 GLY 33 1HA GLY 33 1.711 10.368 3.936 243 H THR 34 H THR 34 4.317 9.325 3.966 244 HA THR 34 HA THR 34 5.760 11.417 2.749 245 HB THR 34 HB THR 34 6.749 8.722 3.713 246 HG1 THR 34 1HG THR 34 7.402 10.556 5.384 247 HG21 THR 34 3HG2 THR 34 8.904 10.030 4.009 248 HG22 THR 34 1HG2 THR 34 8.174 11.296 3.022 249 HG23 THR 34 2HG2 THR 34 8.450 9.694 2.338 250 H VAL 35 H VAL 35 5.515 7.887 1.805 251 HA VAL 35 HA VAL 35 7.037 8.096 -0.493 252 HB VAL 35 HB VAL 35 4.694 6.259 0.129 253 HG11 VAL 35 1HG1 VAL 35 5.192 5.985 -2.169 254 HG12 VAL 35 2HG1 VAL 35 6.131 4.715 -1.389 255 HG13 VAL 35 3HG1 VAL 35 6.923 6.201 -1.919 256 HG21 VAL 35 3HG2 VAL 35 7.644 6.141 0.800 257 HG22 VAL 35 1HG2 VAL 35 6.619 4.706 0.790 258 HG23 VAL 35 2HG2 VAL 35 6.268 6.029 1.901 259 H MET 36 H MET 36 3.588 8.597 0.058 260 HA MET 36 HA MET 36 2.860 8.826 -2.695 261 HB2 MET 36 2HB MET 36 1.495 9.910 -0.222 262 HB3 MET 36 1HB MET 36 0.781 9.867 -1.835 263 HG2 MET 36 2HG MET 36 1.795 7.439 -0.346 264 HG3 MET 36 1HG MET 36 0.106 7.914 -0.419 265 HE1 MET 36 3HE MET 36 -1.414 6.546 -2.135 266 HE2 MET 36 1HE MET 36 -1.159 7.205 -3.759 267 HE3 MET 36 2HE MET 36 -1.166 8.279 -2.361 268 H ARG 37 H ARG 37 4.173 11.052 -0.387 269 HA ARG 37 HA ARG 37 3.553 13.419 -1.899 270 HB2 ARG 37 2HB ARG 37 3.933 13.538 0.522 271 HB3 ARG 37 1HB ARG 37 5.600 13.011 0.297 272 HG2 ARG 37 2HG ARG 37 5.494 15.455 0.538 273 HG3 ARG 37 1HG ARG 37 6.040 15.033 -1.081 274 HD2 ARG 37 2HD ARG 37 4.037 15.695 -2.073 275 HD3 ARG 37 1HD ARG 37 3.098 15.435 -0.603 276 HE ARG 37 HE ARG 37 4.727 17.451 0.123 277 HH11 ARG 37 1HH2 ARG 37 2.768 16.881 -2.681 278 HH12 ARG 37 2HH2 ARG 37 2.448 18.561 -2.959 279 HH21 ARG 37 1HH1 ARG 37 4.325 19.642 -0.246 280 HH22 ARG 37 2HH1 ARG 37 3.327 20.125 -1.575 281 H SER 38 H SER 38 6.566 11.571 -1.395 282 HA SER 38 HA SER 38 8.210 13.104 -3.079 283 HB2 SER 38 2HB SER 38 9.042 11.405 -1.466 284 HB3 SER 38 1HB SER 38 8.415 10.137 -2.519 285 HG SER 38 HG SER 38 10.468 12.021 -3.017 286 H LEU 39 H LEU 39 5.935 10.583 -3.758 287 HA LEU 39 HA LEU 39 6.773 10.034 -6.436 288 HB2 LEU 39 2HB LEU 39 4.208 9.501 -4.956 289 HB3 LEU 39 1HB LEU 39 4.444 9.028 -6.638 290 HG LEU 39 HG LEU 39 6.379 8.251 -4.438 291 HD11 LEU 39 1HD1 LEU 39 3.954 6.760 -5.478 292 HD12 LEU 39 2HD1 LEU 39 4.231 7.310 -3.826 293 HD13 LEU 39 3HD1 LEU 39 5.223 6.020 -4.505 294 HD21 LEU 39 3HD2 LEU 39 5.984 7.491 -7.329 295 HD22 LEU 39 1HD2 LEU 39 6.689 6.319 -6.218 296 HD23 LEU 39 2HD2 LEU 39 7.474 7.871 -6.475 297 H GLY 40 H GLY 40 4.668 12.423 -5.013 298 HA2 GLY 40 2HA GLY 40 4.329 14.515 -6.171 299 HA3 GLY 40 1HA GLY 40 4.310 13.636 -7.696 300 H GLN 41 H GLN 41 2.595 12.187 -5.068 301 HA GLN 41 HA GLN 41 0.100 12.478 -6.492 302 HB2 GLN 41 2HB GLN 41 0.746 10.386 -5.288 303 HB3 GLN 41 1HB GLN 41 0.603 11.263 -3.767 304 HG2 GLN 41 2HG GLN 41 -1.449 10.002 -4.223 305 HG3 GLN 41 1HG GLN 41 -1.780 11.727 -4.263 306 HE21 GLN 41 1HE2 GLN 41 -3.065 12.312 -6.029 307 HE22 GLN 41 2HE2 GLN 41 -3.089 11.512 -7.524 308 H ASN 42 H ASN 42 -1.841 13.342 -5.604 309 HA ASN 42 HA ASN 42 -1.897 15.906 -4.913 310 HB2 ASN 42 2HB ASN 42 -3.771 13.820 -3.804 311 HB3 ASN 42 1HB ASN 42 -4.106 15.549 -3.877 312 HD21 ASN 42 1HD2 ASN 42 -4.987 12.851 -5.440 313 HD22 ASN 42 2HD2 ASN 42 -5.081 13.419 -7.038 314 HA PRO 43 HA PRO 43 -0.171 16.240 -0.802 315 HB2 PRO 43 2HB PRO 43 -1.090 18.731 -0.102 316 HB3 PRO 43 1HB PRO 43 0.218 18.474 -1.274 317 HG2 PRO 43 2HG PRO 43 -2.663 19.083 -1.761 318 HG3 PRO 43 1HG PRO 43 -1.225 19.673 -2.614 319 HD2 PRO 43 2HD PRO 43 -2.829 17.652 -3.574 320 HD3 PRO 43 1HD PRO 43 -1.107 17.814 -3.972 321 H THR 44 H THR 44 -3.470 16.005 -1.466 322 HA THR 44 HA THR 44 -4.701 16.532 0.980 323 HB THR 44 HB THR 44 -5.951 16.128 -1.079 324 HG1 THR 44 1HG THR 44 -7.562 15.020 -0.110 325 HG21 THR 44 3HG2 THR 44 -5.657 13.171 -0.886 326 HG22 THR 44 1HG2 THR 44 -4.274 14.036 -1.555 327 HG23 THR 44 2HG2 THR 44 -5.861 14.181 -2.313 328 H GLU 45 H GLU 45 -3.040 15.778 2.471 329 HA GLU 45 HA GLU 45 -2.475 13.006 2.828 330 HB2 GLU 45 2HB GLU 45 -1.433 13.699 4.913 331 HB3 GLU 45 1HB GLU 45 -1.010 14.852 3.648 332 HG2 GLU 45 2HG GLU 45 -2.880 16.318 4.428 333 HG3 GLU 45 1HG GLU 45 -3.153 15.200 5.763 334 H ALA 46 H ALA 46 -5.234 14.773 3.288 335 HA ALA 46 HA ALA 46 -6.217 13.579 5.723 336 HB1 ALA 46 1HB ALA 46 -7.774 14.969 3.533 337 HB2 ALA 46 2HB ALA 46 -6.998 15.791 4.886 338 HB3 ALA 46 3HB ALA 46 -8.317 14.658 5.182 339 H GLU 47 H GLU 47 -6.481 12.954 2.279 340 HA GLU 47 HA GLU 47 -8.533 11.057 2.255 341 HB2 GLU 47 2HB GLU 47 -7.420 12.116 0.253 342 HB3 GLU 47 1HB GLU 47 -6.046 11.049 0.525 343 HG2 GLU 47 2HG GLU 47 -7.410 9.988 -1.128 344 HG3 GLU 47 1HG GLU 47 -7.669 9.099 0.370 345 H LEU 48 H LEU 48 -5.005 10.626 2.659 346 HA LEU 48 HA LEU 48 -5.023 7.816 2.928 347 HB2 LEU 48 2HB LEU 48 -3.162 10.009 3.811 348 HB3 LEU 48 1HB LEU 48 -2.840 8.334 4.255 349 HG LEU 48 HG LEU 48 -2.746 7.657 1.940 350 HD11 LEU 48 1HD1 LEU 48 -4.488 8.969 0.942 351 HD12 LEU 48 2HD1 LEU 48 -2.992 9.460 0.149 352 HD13 LEU 48 3HD1 LEU 48 -3.703 10.479 1.400 353 HD21 LEU 48 3HD2 LEU 48 -0.644 8.515 2.640 354 HD22 LEU 48 1HD2 LEU 48 -1.212 10.183 2.589 355 HD23 LEU 48 2HD2 LEU 48 -0.947 9.298 1.090 356 H GLN 49 H GLN 49 -5.041 10.416 5.380 357 HA GLN 49 HA GLN 49 -5.080 8.872 7.689 358 HB2 GLN 49 2HB GLN 49 -6.454 11.488 7.069 359 HB3 GLN 49 1HB GLN 49 -6.395 10.792 8.688 360 HG2 GLN 49 2HG GLN 49 -3.988 10.877 8.713 361 HG3 GLN 49 1HG GLN 49 -3.931 11.346 7.018 362 HE21 GLN 49 1HE2 GLN 49 -2.615 13.159 8.376 363 HE22 GLN 49 2HE2 GLN 49 -3.536 14.529 8.774 364 H ASP 50 H ASP 50 -7.840 9.888 5.706 365 HA ASP 50 HA ASP 50 -9.786 8.566 7.342 366 HB2 ASP 50 2HB ASP 50 -10.143 10.547 5.759 367 HB3 ASP 50 1HB ASP 50 -10.154 9.361 4.459 368 H MET 51 H MET 51 -8.129 7.757 4.294 369 HA MET 51 HA MET 51 -9.583 5.424 3.687 370 HB2 MET 51 2HB MET 51 -6.812 6.384 3.018 371 HB3 MET 51 1HB MET 51 -7.360 4.798 2.484 372 HG2 MET 51 2HG MET 51 -8.902 7.348 1.945 373 HG3 MET 51 1HG MET 51 -7.731 6.670 0.814 374 HE1 MET 51 3HE MET 51 -11.593 6.028 -0.254 375 HE2 MET 51 1HE MET 51 -10.227 7.140 -0.431 376 HE3 MET 51 2HE MET 51 -11.195 7.156 1.042 377 H ILE 52 H ILE 52 -6.499 5.800 5.451 378 HA ILE 52 HA ILE 52 -6.226 3.048 6.055 379 HB ILE 52 HB ILE 52 -5.081 5.523 7.385 380 HG12 ILE 52 2HG1 ILE 52 -4.010 3.464 5.421 381 HG13 ILE 52 1HG1 ILE 52 -4.298 5.174 5.109 382 HG21 ILE 52 1HG2 ILE 52 -3.519 3.999 8.537 383 HG22 ILE 52 2HG2 ILE 52 -4.324 2.609 7.819 384 HG23 ILE 52 3HG2 ILE 52 -5.172 3.603 8.998 385 HD11 ILE 52 3HD1 ILE 52 -2.067 3.859 6.589 386 HD12 ILE 52 1HD1 ILE 52 -2.617 5.419 7.210 387 HD13 ILE 52 2HD1 ILE 52 -2.037 5.286 5.548 388 H ASN 53 H ASN 53 -7.690 5.758 7.785 389 HA ASN 53 HA ASN 53 -8.280 4.489 10.198 390 HB2 ASN 53 2HB ASN 53 -8.511 6.907 9.848 391 HB3 ASN 53 1HB ASN 53 -9.856 6.629 8.745 392 HD21 ASN 53 1HD2 ASN 53 -9.778 8.040 11.444 393 HD22 ASN 53 2HD2 ASN 53 -10.968 7.259 12.369 394 H GLU 54 H GLU 54 -9.990 4.449 7.106 395 HA GLU 54 HA GLU 54 -12.364 3.209 8.054 396 HB2 GLU 54 2HB GLU 54 -12.129 4.415 5.866 397 HB3 GLU 54 1HB GLU 54 -11.190 3.049 5.269 398 HG2 GLU 54 2HG GLU 54 -13.459 2.713 4.548 399 HG3 GLU 54 1HG GLU 54 -13.160 1.562 5.848 400 H VAL 55 H VAL 55 -9.381 1.876 6.606 401 HA VAL 55 HA VAL 55 -10.379 -0.856 7.046 402 HB VAL 55 HB VAL 55 -8.288 -1.511 5.828 403 HG11 VAL 55 1HG1 VAL 55 -10.182 0.453 4.507 404 HG12 VAL 55 2HG1 VAL 55 -10.388 -1.295 4.621 405 HG13 VAL 55 3HG1 VAL 55 -9.096 -0.620 3.629 406 HG21 VAL 55 3HG2 VAL 55 -8.017 1.401 5.095 407 HG22 VAL 55 1HG2 VAL 55 -6.849 0.101 4.886 408 HG23 VAL 55 2HG2 VAL 55 -7.164 0.756 6.493 409 H ASP 56 H ASP 56 -9.283 1.145 9.181 410 HA ASP 56 HA ASP 56 -6.866 0.121 10.198 411 HB2 ASP 56 2HB ASP 56 -7.494 1.180 12.304 412 HB3 ASP 56 1HB ASP 56 -7.884 2.239 10.953 413 H ALA 57 H ALA 57 -7.989 -0.394 12.976 414 HA ALA 57 HA ALA 57 -9.356 -2.944 12.702 415 HB1 ALA 57 1HB ALA 57 -6.836 -3.317 12.327 416 HB2 ALA 57 2HB ALA 57 -7.643 -4.333 13.523 417 HB3 ALA 57 3HB ALA 57 -6.661 -2.963 14.047 418 H ASP 58 H ASP 58 -7.236 -1.385 15.145 419 HA ASP 58 HA ASP 58 -9.369 -1.771 17.152 420 HB2 ASP 58 2HB ASP 58 -7.575 -1.270 18.789 421 HB3 ASP 58 1HB ASP 58 -7.214 -2.661 17.774 422 H GLY 59 H GLY 59 -8.870 0.513 15.018 423 HA2 GLY 59 2HA GLY 59 -9.608 2.718 14.945 424 HA3 GLY 59 1HA GLY 59 -9.993 2.603 16.662 425 H ASN 60 H ASN 60 -6.877 1.582 15.757 426 HA ASN 60 HA ASN 60 -5.664 4.025 16.917 427 HB2 ASN 60 2HB ASN 60 -5.392 1.671 17.973 428 HB3 ASN 60 1HB ASN 60 -4.298 1.354 16.630 429 HD21 ASN 60 1HD2 ASN 60 -3.890 1.858 19.686 430 HD22 ASN 60 2HD2 ASN 60 -2.648 3.014 19.723 431 H GLY 61 H GLY 61 -6.297 2.656 13.997 432 HA2 GLY 61 2HA GLY 61 -5.534 3.141 11.862 433 HA3 GLY 61 1HA GLY 61 -4.402 4.285 12.587 434 H THR 62 H THR 62 -3.333 2.946 10.560 435 HA THR 62 HA THR 62 -1.288 1.956 10.214 436 HB THR 62 HB THR 62 -0.159 0.668 11.843 437 HG1 THR 62 1HG THR 62 -1.640 -0.699 12.632 438 HG21 THR 62 3HG2 THR 62 -1.267 2.360 13.914 439 HG22 THR 62 1HG2 THR 62 -1.175 3.280 12.411 440 HG23 THR 62 2HG2 THR 62 0.275 2.527 13.082 441 H ILE 63 H ILE 63 -0.888 0.244 8.929 442 HA ILE 63 HA ILE 63 -3.037 -1.788 8.742 443 HB ILE 63 HB ILE 63 -0.961 -1.111 6.658 444 HG12 ILE 63 2HG1 ILE 63 -2.288 0.883 7.019 445 HG13 ILE 63 1HG1 ILE 63 -2.866 0.107 5.545 446 HG21 ILE 63 1HG2 ILE 63 -3.543 -2.694 6.660 447 HG22 ILE 63 2HG2 ILE 63 -1.920 -3.290 6.314 448 HG23 ILE 63 3HG2 ILE 63 -2.718 -2.196 5.184 449 HD11 ILE 63 3HD1 ILE 63 -4.850 0.617 6.694 450 HD12 ILE 63 1HD1 ILE 63 -4.168 0.194 8.260 451 HD13 ILE 63 2HD1 ILE 63 -4.585 -1.076 7.110 452 H ASP 64 H ASP 64 -2.607 -3.893 9.001 453 HA ASP 64 HA ASP 64 0.088 -4.639 9.894 454 HB2 ASP 64 2HB ASP 64 -2.586 -6.025 10.062 455 HB3 ASP 64 1HB ASP 64 -1.072 -6.745 10.605 456 H PHE 65 H PHE 65 0.623 -7.021 9.356 457 HA PHE 65 HA PHE 65 1.391 -7.213 6.701 458 HB2 PHE 65 2HB PHE 65 1.288 -9.026 9.047 459 HB3 PHE 65 1HB PHE 65 1.332 -9.862 7.497 460 HD1 PHE 65 2HD PHE 65 2.859 -6.667 8.686 461 HD2 PHE 65 1HD PHE 65 3.511 -10.621 7.150 462 HE1 PHE 65 2HE PHE 65 5.285 -6.219 8.561 463 HE2 PHE 65 1HE PHE 65 5.939 -10.175 7.015 464 HZ PHE 65 HZ PHE 65 6.831 -7.968 7.716 465 HA PRO 66 HA PRO 66 -2.093 -10.404 5.709 466 HB2 PRO 66 2HB PRO 66 -4.234 -10.445 7.513 467 HB3 PRO 66 1HB PRO 66 -2.886 -11.600 7.507 468 HG2 PRO 66 2HG PRO 66 -3.286 -9.167 9.195 469 HG3 PRO 66 1HG PRO 66 -2.633 -10.755 9.640 470 HD2 PRO 66 2HD PRO 66 -1.015 -8.657 9.233 471 HD3 PRO 66 1HD PRO 66 -0.545 -10.301 8.751 472 H GLU 67 H GLU 67 -3.319 -7.604 7.529 473 HA GLU 67 HA GLU 67 -5.623 -7.046 6.143 474 HB2 GLU 67 2HB GLU 67 -3.568 -5.151 7.287 475 HB3 GLU 67 1HB GLU 67 -5.159 -4.642 6.718 476 HG2 GLU 67 2HG GLU 67 -6.248 -6.117 8.317 477 HG3 GLU 67 1HG GLU 67 -4.690 -6.753 8.839 478 H PHE 68 H PHE 68 -2.392 -5.738 5.391 479 HA PHE 68 HA PHE 68 -3.134 -4.418 3.034 480 HB2 PHE 68 2HB PHE 68 -1.019 -4.052 4.262 481 HB3 PHE 68 1HB PHE 68 -0.446 -5.615 3.684 482 HD1 PHE 68 1HD PHE 68 -0.343 -6.008 1.146 483 HD2 PHE 68 2HD PHE 68 -0.855 -2.118 2.904 484 HE1 PHE 68 1HE PHE 68 0.387 -4.956 -0.969 485 HE2 PHE 68 2HE PHE 68 -0.121 -1.069 0.779 486 HZ PHE 68 HZ PHE 68 0.493 -2.491 -1.159 487 H LEU 69 H LEU 69 -1.691 -7.617 3.520 488 HA LEU 69 HA LEU 69 -1.508 -8.410 0.861 489 HB2 LEU 69 2HB LEU 69 -0.430 -9.713 2.516 490 HB3 LEU 69 1HB LEU 69 -1.927 -9.952 3.418 491 HG LEU 69 HG LEU 69 -1.953 -10.936 0.588 492 HD11 LEU 69 1HD1 LEU 69 0.224 -11.726 1.086 493 HD12 LEU 69 2HD1 LEU 69 -0.845 -13.096 1.385 494 HD13 LEU 69 3HD1 LEU 69 -0.219 -12.152 2.737 495 HD21 LEU 69 3HD2 LEU 69 -3.785 -11.186 2.422 496 HD22 LEU 69 1HD2 LEU 69 -2.731 -12.415 3.111 497 HD23 LEU 69 2HD2 LEU 69 -3.374 -12.619 1.484 498 H THR 70 H THR 70 -4.312 -8.151 2.935 499 HA THR 70 HA THR 70 -5.977 -9.734 1.144 500 HB THR 70 HB THR 70 -6.736 -8.180 3.611 501 HG1 THR 70 1HG THR 70 -5.880 -9.757 4.676 502 HG21 THR 70 3HG2 THR 70 -8.076 -10.463 2.134 503 HG22 THR 70 1HG2 THR 70 -8.607 -8.781 2.106 504 HG23 THR 70 2HG2 THR 70 -8.673 -9.702 3.609 505 H MET 71 H MET 71 -6.429 -6.508 2.581 506 HA MET 71 HA MET 71 -8.356 -5.594 0.877 507 HB2 MET 71 2HB MET 71 -7.959 -3.436 1.673 508 HB3 MET 71 1HB MET 71 -7.293 -4.450 2.950 509 HG2 MET 71 2HG MET 71 -5.050 -4.167 2.034 510 HG3 MET 71 1HG MET 71 -5.652 -3.182 0.715 511 HE1 MET 71 3HE MET 71 -5.104 -3.743 4.308 512 HE2 MET 71 1HE MET 71 -6.684 -3.055 4.705 513 HE3 MET 71 2HE MET 71 -5.211 -2.184 5.116 514 H MET 72 H MET 72 -5.120 -6.314 0.021 515 HA MET 72 HA MET 72 -5.112 -4.503 -2.273 516 HB2 MET 72 2HB MET 72 -2.881 -5.108 -2.591 517 HB3 MET 72 1HB MET 72 -3.079 -5.033 -0.848 518 HG2 MET 72 2HG MET 72 -2.024 -7.072 -1.014 519 HG3 MET 72 1HG MET 72 -3.682 -7.624 -1.179 520 HE1 MET 72 3HE MET 72 -0.774 -8.848 -2.130 521 HE2 MET 72 1HE MET 72 -1.266 -9.691 -3.606 522 HE3 MET 72 2HE MET 72 -2.268 -9.782 -2.160 523 H ALA 73 H ALA 73 -5.831 -7.803 -1.508 524 HA ALA 73 HA ALA 73 -5.743 -8.716 -4.276 525 HB1 ALA 73 1HB ALA 73 -6.519 -10.028 -1.667 526 HB2 ALA 73 2HB ALA 73 -5.063 -10.309 -2.626 527 HB3 ALA 73 3HB ALA 73 -6.633 -10.845 -3.228 528 H ARG 74 H ARG 74 -7.675 -6.587 -3.322 529 HA ARG 74 HA ARG 74 -10.280 -7.871 -3.578 530 HB2 ARG 74 2HB ARG 74 -9.398 -5.008 -3.189 531 HB3 ARG 74 1HB ARG 74 -11.087 -5.472 -3.402 532 HG2 ARG 74 2HG ARG 74 -10.967 -6.934 -1.439 533 HG3 ARG 74 1HG ARG 74 -9.251 -6.576 -1.251 534 HD2 ARG 74 2HD ARG 74 -10.568 -5.217 0.296 535 HD3 ARG 74 1HD ARG 74 -9.794 -4.193 -0.911 536 HE ARG 74 HE ARG 74 -12.407 -4.939 -1.757 537 HH11 ARG 74 1HH2 ARG 74 -10.696 -2.928 0.497 538 HH12 ARG 74 2HH2 ARG 74 -11.934 -1.719 0.563 539 HH21 ARG 74 1HH1 ARG 74 -14.033 -3.345 -1.665 540 HH22 ARG 74 2HH1 ARG 74 -13.815 -1.953 -0.656 541 H LYS 75 H LYS 75 -7.935 -7.072 -5.701 542 HA LYS 75 HA LYS 75 -9.678 -6.002 -7.813 543 HB2 LYS 75 2HB LYS 75 -7.233 -5.244 -7.311 544 HB3 LYS 75 1HB LYS 75 -6.766 -6.711 -8.166 545 HG2 LYS 75 2HG LYS 75 -7.984 -5.991 -10.156 546 HG3 LYS 75 1HG LYS 75 -8.608 -4.581 -9.302 547 HD2 LYS 75 2HD LYS 75 -6.350 -3.693 -9.049 548 HD3 LYS 75 1HD LYS 75 -5.670 -5.129 -9.816 549 HE2 LYS 75 2HE LYS 75 -5.843 -3.309 -11.455 550 HE3 LYS 75 1HE LYS 75 -6.954 -4.609 -11.880 551 HZ1 LYS 75 3HZ LYS 75 -8.752 -3.398 -10.885 552 HZ2 LYS 75 1HZ LYS 75 -7.974 -2.397 -12.012 553 HZ3 LYS 75 2HZ LYS 75 -7.699 -2.179 -10.349 554 H MET 76 H MET 76 -10.031 -8.721 -6.757 555 HA MET 76 HA MET 76 -9.432 -10.311 -9.193 556 HB2 MET 76 2HB MET 76 -9.768 -11.157 -6.307 557 HB3 MET 76 1HB MET 76 -9.731 -12.291 -7.659 558 HG2 MET 76 2HG MET 76 -7.486 -11.499 -8.289 559 HG3 MET 76 1HG MET 76 -7.526 -10.314 -6.983 560 HE1 MET 76 3HE MET 76 -6.882 -14.825 -6.773 561 HE2 MET 76 1HE MET 76 -6.882 -13.752 -8.180 562 HE3 MET 76 2HE MET 76 -8.402 -14.209 -7.417 563 H LYS 77 H LYS 77 -11.069 -11.050 -10.338 564 HA LYS 77 HA LYS 77 -13.727 -10.212 -9.896 565 HB2 LYS 77 2HB LYS 77 -12.691 -10.808 -12.113 566 HB3 LYS 77 1HB LYS 77 -12.772 -12.498 -11.636 567 HG2 LYS 77 2HG LYS 77 -14.737 -12.224 -12.892 568 HG3 LYS 77 1HG LYS 77 -15.308 -12.030 -11.236 569 HD2 LYS 77 2HD LYS 77 -15.293 -9.605 -11.454 570 HD3 LYS 77 1HD LYS 77 -14.521 -9.710 -13.034 571 HE2 LYS 77 2HE LYS 77 -16.514 -10.879 -13.921 572 HE3 LYS 77 1HE LYS 77 -17.285 -10.758 -12.340 573 HZ1 LYS 77 3HZ LYS 77 -16.848 -8.270 -12.585 574 HZ2 LYS 77 1HZ LYS 77 -18.104 -8.944 -13.508 575 HZ3 LYS 77 2HZ LYS 77 -16.606 -8.597 -14.234 576 H1 GLY 45 1HT GLY 45 -10.414 12.119 -8.394 577 H2 GLY 45 2HT GLY 45 -10.171 11.484 -6.837 578 H3 GLY 45 3HT GLY 45 -11.480 12.524 -7.137 579 HA2 GLY 45 2HA GLY 45 -12.490 10.463 -7.115 580 HA3 GLY 45 1HA GLY 45 -12.220 10.774 -8.829 581 H THR 46 H THR 46 -10.279 9.539 -6.074 582 HA THR 46 HA THR 46 -9.409 7.285 -7.810 583 HB THR 46 HB THR 46 -7.804 8.724 -5.674 584 HG1 THR 46 1HG THR 46 -6.496 8.847 -7.803 585 HG21 THR 46 3HG2 THR 46 -7.214 6.392 -5.635 586 HG22 THR 46 1HG2 THR 46 -5.966 7.219 -6.565 587 HG23 THR 46 2HG2 THR 46 -7.220 6.303 -7.395 588 H GLY 47 H GLY 47 -9.929 5.352 -7.114 589 HA2 GLY 47 2HA GLY 47 -11.290 4.974 -4.613 590 HA3 GLY 47 1HA GLY 47 -10.920 3.731 -5.801 591 H ALA 48 H ALA 48 -10.678 3.348 -3.034 592 HA ALA 48 HA ALA 48 -8.141 3.755 -1.928 593 HB1 ALA 48 1HB ALA 48 -8.778 1.791 -0.465 594 HB2 ALA 48 2HB ALA 48 -10.223 1.616 -1.460 595 HB3 ALA 48 3HB ALA 48 -9.967 3.093 -0.535 596 H ALA 49 H ALA 49 -9.371 0.865 -3.660 597 HA ALA 49 HA ALA 49 -6.977 -0.632 -3.490 598 HB1 ALA 49 1HB ALA 49 -7.964 -1.950 -5.370 599 HB2 ALA 49 2HB ALA 49 -9.240 -0.739 -5.495 600 HB3 ALA 49 3HB ALA 49 -9.081 -1.702 -4.028 601 H LEU 50 H LEU 50 -8.190 1.623 -5.926 602 HA LEU 50 HA LEU 50 -6.172 1.216 -7.856 603 HB2 LEU 50 2HB LEU 50 -8.232 2.366 -8.426 604 HB3 LEU 50 1HB LEU 50 -7.890 3.637 -7.257 605 HG LEU 50 HG LEU 50 -5.927 4.343 -8.548 606 HD11 LEU 50 1HD1 LEU 50 -6.601 1.876 -10.153 607 HD12 LEU 50 2HD1 LEU 50 -5.039 2.386 -9.511 608 HD13 LEU 50 3HD1 LEU 50 -5.732 3.216 -10.904 609 HD21 LEU 50 3HD2 LEU 50 -8.241 5.166 -9.157 610 HD22 LEU 50 1HD2 LEU 50 -8.268 3.947 -10.431 611 HD23 LEU 50 2HD2 LEU 50 -7.069 5.240 -10.472 612 H SER 51 H SER 51 -6.437 3.380 -5.087 613 HA SER 51 HA SER 51 -4.145 4.945 -5.541 614 HB2 SER 51 2HB SER 51 -5.725 5.664 -3.894 615 HB3 SER 51 1HB SER 51 -5.606 4.138 -3.023 616 HG SER 51 HG SER 51 -4.145 6.345 -2.735 617 H TRP 52 H TRP 52 -4.628 1.934 -3.746 618 HA TRP 52 HA TRP 52 -1.984 1.659 -2.799 619 HB2 TRP 52 2HB TRP 52 -4.256 -0.260 -3.278 620 HB3 TRP 52 1HB TRP 52 -2.693 -0.840 -2.709 621 HD1 TRP 52 HD TRP 52 -5.884 0.222 -1.401 622 HE1 TRP 52 1HE TRP 52 -5.714 0.989 1.053 623 HE3 TRP 52 3HE TRP 52 -0.817 0.788 -0.990 624 HZ2 TRP 52 2HZ TRP 52 -3.707 1.734 2.946 625 HZ3 TRP 52 3HZ TRP 52 0.191 1.518 1.147 626 HH2 TRP 52 HH TRP 52 -1.235 1.995 3.115 627 H GLN 53 H GLN 53 -3.602 0.358 -5.696 628 HA GLN 53 HA GLN 53 -1.362 -1.068 -6.685 629 HB2 GLN 53 2HB GLN 53 -3.658 -1.507 -7.441 630 HB3 GLN 53 1HB GLN 53 -3.717 0.084 -8.201 631 HG2 GLN 53 2HG GLN 53 -1.931 -0.512 -9.725 632 HG3 GLN 53 1HG GLN 53 -1.664 -2.038 -8.886 633 HE21 GLN 53 1HE2 GLN 53 -2.285 -1.978 -11.678 634 HE22 GLN 53 2HE2 GLN 53 -3.825 -2.657 -11.900 635 H ALA 54 H ALA 54 -2.551 2.225 -7.349 636 HA ALA 54 HA ALA 54 -0.717 2.858 -9.393 637 HB1 ALA 54 1HB ALA 54 -1.207 5.246 -8.726 638 HB2 ALA 54 2HB ALA 54 -2.177 4.601 -7.402 639 HB3 ALA 54 3HB ALA 54 -2.630 4.263 -9.072 640 H ALA 55 H ALA 55 -0.471 3.114 -5.873 641 HA ALA 55 HA ALA 55 1.953 4.586 -5.798 642 HB1 ALA 55 1HB ALA 55 0.959 2.605 -3.741 643 HB2 ALA 55 2HB ALA 55 0.356 4.254 -3.882 644 HB3 ALA 55 3HB ALA 55 2.048 3.966 -3.474 645 H ILE 56 H ILE 56 1.244 1.122 -5.883 646 HA ILE 56 HA ILE 56 3.886 0.193 -5.461 647 HB ILE 56 HB ILE 56 1.499 -1.055 -6.845 648 HG12 ILE 56 2HG1 ILE 56 2.757 -1.649 -4.153 649 HG13 ILE 56 1HG1 ILE 56 1.407 -0.533 -4.362 650 HG21 ILE 56 1HG2 ILE 56 4.224 -2.190 -6.178 651 HG22 ILE 56 2HG2 ILE 56 3.408 -2.185 -7.741 652 HG23 ILE 56 3HG2 ILE 56 2.809 -3.210 -6.438 653 HD11 ILE 56 3HD1 ILE 56 0.011 -2.302 -5.260 654 HD12 ILE 56 1HD1 ILE 56 0.700 -2.864 -3.739 655 HD13 ILE 56 2HD1 ILE 56 1.369 -3.425 -5.271 656 H ASP 57 H ASP 57 2.041 0.897 -8.413 657 HA ASP 57 HA ASP 57 3.962 0.040 -10.280 658 HB2 ASP 57 2HB ASP 57 1.760 2.102 -10.414 659 HB3 ASP 57 1HB ASP 57 2.746 1.677 -11.813 660 H ALA 58 H ALA 58 3.371 3.266 -8.888 661 HA ALA 58 HA ALA 58 5.528 4.514 -10.272 662 HB1 ALA 58 1HB ALA 58 4.452 5.555 -7.665 663 HB2 ALA 58 2HB ALA 58 3.428 5.554 -9.100 664 HB3 ALA 58 3HB ALA 58 4.947 6.444 -9.108 665 H ALA 59 H ALA 59 5.177 3.041 -7.073 666 HA ALA 59 HA ALA 59 7.707 3.792 -6.048 667 HB1 ALA 59 1HB ALA 59 5.878 2.947 -4.628 668 HB2 ALA 59 2HB ALA 59 7.338 1.983 -4.414 669 HB3 ALA 59 3HB ALA 59 6.010 1.365 -5.395 670 H ARG 60 H ARG 60 6.592 0.993 -7.895 671 HA ARG 60 HA ARG 60 8.960 -0.514 -7.802 672 HB2 ARG 60 2HB ARG 60 6.647 -1.233 -8.591 673 HB3 ARG 60 1HB ARG 60 7.023 -0.425 -10.110 674 HG2 ARG 60 2HG ARG 60 7.796 -2.560 -10.622 675 HG3 ARG 60 1HG ARG 60 9.270 -1.884 -9.927 676 HD2 ARG 60 2HD ARG 60 8.784 -4.083 -8.946 677 HD3 ARG 60 1HD ARG 60 8.659 -2.820 -7.728 678 HE ARG 60 HE ARG 60 6.365 -3.199 -7.609 679 HH11 ARG 60 1HH2 ARG 60 7.758 -4.825 -10.351 680 HH12 ARG 60 2HH2 ARG 60 6.366 -5.817 -10.627 681 HH21 ARG 60 1HH1 ARG 60 4.555 -4.485 -7.984 682 HH22 ARG 60 2HH1 ARG 60 4.551 -5.621 -9.290 683 H GLN 61 H GLN 61 7.793 1.875 -10.180 684 HA GLN 61 HA GLN 61 10.025 1.664 -11.924 685 HB2 GLN 61 2HB GLN 61 7.798 2.724 -12.478 686 HB3 GLN 61 1HB GLN 61 8.283 4.106 -11.497 687 HG2 GLN 61 2HG GLN 61 8.828 4.607 -13.796 688 HG3 GLN 61 1HG GLN 61 10.335 4.317 -12.935 689 HE21 GLN 61 1HE2 GLN 61 7.888 2.391 -14.781 690 HE22 GLN 61 2HE2 GLN 61 9.041 1.427 -15.570 691 H ALA 62 H ALA 62 9.317 3.681 -9.113 692 HA ALA 62 HA ALA 62 11.563 5.393 -9.289 693 HB1 ALA 62 1HB ALA 62 9.963 4.496 -6.882 694 HB2 ALA 62 2HB ALA 62 9.664 5.930 -7.864 695 HB3 ALA 62 3HB ALA 62 11.124 5.823 -6.883 696 H LYS 63 H LYS 63 11.049 2.258 -7.732 697 HA LYS 63 HA LYS 63 13.526 2.107 -6.376 698 HB2 LYS 63 2HB LYS 63 11.598 0.624 -5.900 699 HB3 LYS 63 1HB LYS 63 11.832 -0.159 -7.464 700 HG2 LYS 63 2HG LYS 63 14.090 -0.865 -6.790 701 HG3 LYS 63 1HG LYS 63 13.896 -0.042 -5.241 702 HD2 LYS 63 2HD LYS 63 11.979 -1.508 -4.706 703 HD3 LYS 63 1HD LYS 63 12.191 -2.339 -6.249 704 HE2 LYS 63 2HE LYS 63 14.450 -3.042 -5.576 705 HE3 LYS 63 1HE LYS 63 14.270 -2.187 -4.043 706 HZ1 LYS 63 3HZ LYS 63 13.047 -3.826 -3.203 707 HZ2 LYS 63 1HZ LYS 63 13.595 -4.773 -4.499 708 HZ3 LYS 63 2HZ LYS 63 12.099 -3.973 -4.605 709 H LEU 64 H LEU 64 12.514 1.048 -9.608 710 HA LEU 64 HA LEU 64 14.908 -0.247 -10.332 711 HB2 LEU 64 2HB LEU 64 12.771 1.103 -11.994 712 HB3 LEU 64 1HB LEU 64 14.089 0.160 -12.688 713 HG LEU 64 HG LEU 64 12.176 -0.920 -10.595 714 HD11 LEU 64 1HD1 LEU 64 10.819 -0.484 -12.512 715 HD12 LEU 64 2HD1 LEU 64 11.223 -2.199 -12.590 716 HD13 LEU 64 3HD1 LEU 64 12.074 -1.046 -13.616 717 HD21 LEU 64 3HD2 LEU 64 14.037 -2.341 -10.540 718 HD22 LEU 64 1HD2 LEU 64 14.424 -2.082 -12.241 719 HD23 LEU 64 2HD2 LEU 64 13.073 -3.119 -11.786 720 H MET 65 H MET 65 13.857 3.111 -10.770 721 HA MET 65 HA MET 65 16.141 3.934 -12.243 722 HB2 MET 65 2HB MET 65 14.047 5.410 -10.658 723 HB3 MET 65 1HB MET 65 15.390 6.260 -11.423 724 HG2 MET 65 2HG MET 65 14.749 5.203 -13.604 725 HG3 MET 65 1HG MET 65 13.341 4.503 -12.809 726 HE1 MET 65 3HE MET 65 12.304 7.083 -10.815 727 HE2 MET 65 1HE MET 65 11.717 5.612 -11.597 728 HE3 MET 65 2HE MET 65 11.002 7.168 -11.999 729 H GLY 66 H GLY 66 15.424 3.822 -8.786 730 HA2 GLY 66 2HA GLY 66 17.058 3.570 -7.101 731 HA3 GLY 66 1HA GLY 66 18.286 4.154 -8.217 732 H SER 67 H SER 67 15.510 6.102 -8.301 733 HA SER 67 HA SER 67 16.509 7.922 -6.194 734 HB2 SER 67 2HB SER 67 17.438 8.620 -8.421 735 HB3 SER 67 1HB SER 67 15.785 8.843 -8.984 736 HG SER 67 HG SER 67 16.625 10.029 -6.578 737 H ALA 68 H ALA 68 14.957 8.994 -5.109 738 HA ALA 68 HA ALA 68 12.164 8.290 -5.701 739 HB1 ALA 68 1HB ALA 68 13.126 7.946 -3.410 740 HB2 ALA 68 2HB ALA 68 11.703 8.988 -3.432 741 HB3 ALA 68 3HB ALA 68 13.312 9.693 -3.276 Start of MODEL 14 1 H1 ALA 1 1HT ALA 1 -4.029 -24.920 -3.919 2 H2 ALA 1 2HT ALA 1 -5.517 -24.103 -3.905 3 H3 ALA 1 3HT ALA 1 -4.533 -24.107 -2.520 4 HA ALA 1 HA ALA 1 -3.790 -22.139 -3.226 5 HB1 ALA 1 2HB ALA 1 -2.537 -23.962 -5.301 6 HB2 ALA 1 3HB ALA 1 -1.861 -23.545 -3.727 7 HB3 ALA 1 1HB ALA 1 -2.010 -22.310 -4.977 8 H ASP 2 H ASP 2 -6.332 -22.512 -4.052 9 HA ASP 2 HA ASP 2 -6.851 -22.232 -6.799 10 HB2 ASP 2 2HB ASP 2 -8.398 -21.441 -4.333 11 HB3 ASP 2 1HB ASP 2 -9.048 -21.282 -5.965 12 H GLN 3 H GLN 3 -6.319 -19.808 -4.264 13 HA GLN 3 HA GLN 3 -5.781 -17.804 -6.364 14 HB2 GLN 3 2HB GLN 3 -8.192 -17.653 -5.503 15 HB3 GLN 3 1HB GLN 3 -7.499 -17.157 -3.961 16 HG2 GLN 3 2HG GLN 3 -8.058 -15.163 -5.209 17 HG3 GLN 3 1HG GLN 3 -6.304 -15.301 -5.176 18 HE21 GLN 3 1HE2 GLN 3 -5.765 -14.356 -7.195 19 HE22 GLN 3 2HE2 GLN 3 -6.339 -14.937 -8.684 20 H LEU 4 H LEU 4 -4.520 -16.003 -5.608 21 HA LEU 4 HA LEU 4 -2.630 -15.215 -4.556 22 HB2 LEU 4 2HB LEU 4 -4.461 -14.547 -3.026 23 HB3 LEU 4 1HB LEU 4 -4.186 -16.025 -2.112 24 HG LEU 4 HG LEU 4 -1.611 -14.818 -2.396 25 HD11 LEU 4 1HD1 LEU 4 -1.856 -12.598 -1.601 26 HD12 LEU 4 2HD1 LEU 4 -3.591 -12.791 -1.372 27 HD13 LEU 4 3HD1 LEU 4 -2.914 -12.759 -3.001 28 HD21 LEU 4 3HD2 LEU 4 -2.252 -16.104 -0.485 29 HD22 LEU 4 1HD2 LEU 4 -3.548 -14.975 -0.082 30 HD23 LEU 4 2HD2 LEU 4 -1.865 -14.475 0.074 31 H THR 5 H THR 5 -1.210 -16.819 -5.245 32 HA THR 5 HA THR 5 -0.621 -19.095 -3.524 33 HB THR 5 HB THR 5 -0.701 -19.477 -5.952 34 HG1 THR 5 1HG THR 5 1.841 -19.960 -5.906 35 HG21 THR 5 3HG2 THR 5 1.054 -18.495 -7.399 36 HG22 THR 5 1HG2 THR 5 1.617 -17.520 -6.045 37 HG23 THR 5 2HG2 THR 5 0.013 -17.249 -6.714 38 H GLU 6 H GLU 6 2.179 -19.138 -4.390 39 HA GLU 6 HA GLU 6 3.253 -17.741 -2.180 40 HB2 GLU 6 2HB GLU 6 4.182 -19.869 -3.069 41 HB3 GLU 6 1HB GLU 6 4.743 -18.987 -4.489 42 HG2 GLU 6 2HG GLU 6 6.099 -17.512 -3.026 43 HG3 GLU 6 1HG GLU 6 5.565 -18.434 -1.620 44 H GLU 7 H GLU 7 3.274 -17.171 -5.626 45 HA GLU 7 HA GLU 7 5.038 -15.069 -5.803 46 HB2 GLU 7 2HB GLU 7 4.146 -15.893 -7.822 47 HB3 GLU 7 1HB GLU 7 2.485 -15.715 -7.262 48 HG2 GLU 7 2HG GLU 7 2.579 -13.346 -7.443 49 HG3 GLU 7 1HG GLU 7 4.323 -13.360 -7.693 50 H GLN 8 H GLN 8 1.492 -14.653 -5.513 51 HA GLN 8 HA GLN 8 1.376 -11.973 -5.151 52 HB2 GLN 8 2HB GLN 8 -0.309 -14.259 -4.230 53 HB3 GLN 8 1HB GLN 8 -0.697 -12.659 -3.621 54 HG2 GLN 8 2HG GLN 8 -0.385 -13.272 -6.569 55 HG3 GLN 8 1HG GLN 8 -1.930 -13.331 -5.724 56 HE21 GLN 8 1HE2 GLN 8 -0.515 -11.361 -7.790 57 HE22 GLN 8 2HE2 GLN 8 -0.924 -9.842 -7.151 58 H ILE 9 H ILE 9 1.563 -14.295 -2.386 59 HA ILE 9 HA ILE 9 1.531 -12.340 -0.416 60 HB ILE 9 HB ILE 9 2.807 -14.043 0.970 61 HG12 ILE 9 2HG1 ILE 9 2.569 -15.581 -1.619 62 HG13 ILE 9 1HG1 ILE 9 4.079 -15.007 -0.916 63 HG21 ILE 9 1HG2 ILE 9 0.459 -15.120 -0.615 64 HG22 ILE 9 2HG2 ILE 9 0.310 -13.976 0.710 65 HG23 ILE 9 3HG2 ILE 9 0.936 -15.588 1.015 66 HD11 ILE 9 3HD1 ILE 9 3.209 -16.349 1.201 67 HD12 ILE 9 1HD1 ILE 9 4.047 -17.148 -0.124 68 HD13 ILE 9 2HD1 ILE 9 2.294 -17.226 -0.033 69 H ALA 10 H ALA 10 4.338 -13.628 -2.188 70 HA ALA 10 HA ALA 10 6.305 -12.194 -0.795 71 HB1 ALA 10 1HB ALA 10 6.427 -12.766 -3.753 72 HB2 ALA 10 2HB ALA 10 6.561 -14.056 -2.557 73 HB3 ALA 10 3HB ALA 10 7.746 -12.747 -2.582 74 H GLU 11 H GLU 11 4.265 -11.343 -3.537 75 HA GLU 11 HA GLU 11 5.431 -8.907 -4.276 76 HB2 GLU 11 2HB GLU 11 3.582 -10.196 -5.471 77 HB3 GLU 11 1HB GLU 11 2.464 -9.459 -4.326 78 HG2 GLU 11 2HG GLU 11 3.131 -7.226 -5.045 79 HG3 GLU 11 1HG GLU 11 4.344 -7.912 -6.127 80 H PHE 12 H PHE 12 2.832 -9.550 -1.903 81 HA PHE 12 HA PHE 12 2.411 -6.851 -1.196 82 HB2 PHE 12 2HB PHE 12 0.678 -7.912 -0.180 83 HB3 PHE 12 1HB PHE 12 1.479 -9.466 -0.348 84 HD1 PHE 12 2HD PHE 12 1.268 -6.414 1.789 85 HD2 PHE 12 1HD PHE 12 2.447 -10.532 1.530 86 HE1 PHE 12 2HE PHE 12 1.712 -6.440 4.223 87 HE2 PHE 12 1HE PHE 12 2.897 -10.559 3.961 88 HZ PHE 12 HZ PHE 12 2.533 -8.511 5.302 89 H LYS 13 H LYS 13 4.546 -9.335 0.158 90 HA LYS 13 HA LYS 13 5.497 -7.961 2.365 91 HB2 LYS 13 2HB LYS 13 5.971 -10.326 1.941 92 HB3 LYS 13 1HB LYS 13 6.977 -9.892 0.561 93 HG2 LYS 13 2HG LYS 13 7.669 -8.542 3.136 94 HG3 LYS 13 1HG LYS 13 7.962 -10.275 3.090 95 HD2 LYS 13 2HD LYS 13 9.528 -10.119 1.360 96 HD3 LYS 13 1HD LYS 13 8.919 -8.569 0.798 97 HE2 LYS 13 2HE LYS 13 11.015 -8.185 1.921 98 HE3 LYS 13 1HE LYS 13 9.728 -7.547 2.936 99 HZ1 LYS 13 3HZ LYS 13 10.607 -8.808 4.534 100 HZ2 LYS 13 1HZ LYS 13 11.560 -9.694 3.448 101 HZ3 LYS 13 2HZ LYS 13 9.944 -10.141 3.717 102 H GLU 14 H GLU 14 6.640 -7.914 -0.993 103 HA GLU 14 HA GLU 14 8.859 -6.215 -0.601 104 HB2 GLU 14 2HB GLU 14 7.058 -6.594 -3.003 105 HB3 GLU 14 1HB GLU 14 8.578 -5.709 -3.041 106 HG2 GLU 14 2HG GLU 14 8.306 -8.612 -2.214 107 HG3 GLU 14 1HG GLU 14 8.806 -8.077 -3.815 108 H ALA 15 H ALA 15 5.559 -5.429 -1.763 109 HA ALA 15 HA ALA 15 5.890 -2.656 -1.827 110 HB1 ALA 15 1HB ALA 15 3.186 -3.584 -1.034 111 HB2 ALA 15 2HB ALA 15 3.857 -4.410 -2.438 112 HB3 ALA 15 3HB ALA 15 3.689 -2.656 -2.452 113 H PHE 16 H PHE 16 4.895 -4.796 0.802 114 HA PHE 16 HA PHE 16 4.208 -2.844 2.677 115 HB2 PHE 16 2HB PHE 16 3.613 -4.866 3.545 116 HB3 PHE 16 1HB PHE 16 4.889 -5.712 2.692 117 HD1 PHE 16 1HD PHE 16 4.412 -3.313 5.553 118 HD2 PHE 16 2HD PHE 16 6.693 -6.554 3.896 119 HE1 PHE 16 1HE PHE 16 5.804 -3.396 7.607 120 HE2 PHE 16 2HE PHE 16 8.071 -6.640 5.944 121 HZ PHE 16 HZ PHE 16 7.638 -5.058 7.784 122 H SER 17 H SER 17 7.325 -4.438 2.135 123 HA SER 17 HA SER 17 8.772 -3.139 4.128 124 HB2 SER 17 2HB SER 17 9.474 -5.110 2.617 125 HB3 SER 17 1HB SER 17 9.975 -3.877 1.463 126 HG SER 17 HG SER 17 11.495 -3.191 2.838 127 H LEU 18 H LEU 18 7.854 -2.052 0.895 128 HA LEU 18 HA LEU 18 9.669 0.164 0.819 129 HB2 LEU 18 2HB LEU 18 7.091 -0.371 -0.655 130 HB3 LEU 18 1HB LEU 18 8.174 0.974 -1.008 131 HG LEU 18 HG LEU 18 8.984 -1.949 -1.080 132 HD11 LEU 18 1HD1 LEU 18 7.299 -1.112 -2.851 133 HD12 LEU 18 2HD1 LEU 18 8.764 -1.897 -3.434 134 HD13 LEU 18 3HD1 LEU 18 8.634 -0.140 -3.470 135 HD21 LEU 18 3HD2 LEU 18 10.881 -0.750 -2.526 136 HD22 LEU 18 1HD2 LEU 18 11.004 -0.835 -0.772 137 HD23 LEU 18 2HD2 LEU 18 10.435 0.644 -1.546 138 H PHE 19 H PHE 19 6.237 -0.119 1.720 139 HA PHE 19 HA PHE 19 5.968 2.680 2.258 140 HB2 PHE 19 2HB PHE 19 4.241 0.423 3.240 141 HB3 PHE 19 1HB PHE 19 3.797 2.122 3.135 142 HD1 PHE 19 2HD PHE 19 4.330 3.177 0.675 143 HD2 PHE 19 1HD PHE 19 3.468 -0.944 1.527 144 HE1 PHE 19 2HE PHE 19 3.623 2.833 -1.676 145 HE2 PHE 19 1HE PHE 19 2.768 -1.285 -0.806 146 HZ PHE 19 HZ PHE 19 2.840 0.600 -2.422 147 H ASP 20 H ASP 20 6.421 -0.173 4.354 148 HA ASP 20 HA ASP 20 6.279 1.227 6.796 149 HB2 ASP 20 2HB ASP 20 6.187 -1.283 6.467 150 HB3 ASP 20 1HB ASP 20 7.940 -1.237 6.294 151 H LYS 21 H LYS 21 7.565 3.145 5.941 152 HA LYS 21 HA LYS 21 10.353 3.036 5.529 153 HB2 LYS 21 2HB LYS 21 9.023 5.362 6.912 154 HB3 LYS 21 1HB LYS 21 10.391 5.387 5.806 155 HG2 LYS 21 2HG LYS 21 7.495 4.858 5.137 156 HG3 LYS 21 1HG LYS 21 8.466 6.217 4.621 157 HD2 LYS 21 2HD LYS 21 8.921 3.328 3.797 158 HD3 LYS 21 1HD LYS 21 8.203 4.582 2.803 159 HE2 LYS 21 2HE LYS 21 10.348 5.929 3.196 160 HE3 LYS 21 1HE LYS 21 11.047 4.426 3.797 161 HZ1 LYS 21 3HZ LYS 21 10.998 5.170 1.217 162 HZ2 LYS 21 1HZ LYS 21 9.639 4.159 1.300 163 HZ3 LYS 21 2HZ LYS 21 11.166 3.569 1.759 164 H ASP 22 H ASP 22 8.549 3.697 8.557 165 HA ASP 22 HA ASP 22 10.787 3.951 10.195 166 HB2 ASP 22 2HB ASP 22 8.325 4.434 10.701 167 HB3 ASP 22 1HB ASP 22 8.163 2.714 11.027 168 H GLY 23 H GLY 23 9.444 1.194 8.636 169 HA2 GLY 23 2HA GLY 23 10.029 -1.008 8.605 170 HA3 GLY 23 1HA GLY 23 11.575 -0.489 9.260 171 H ASP 24 H ASP 24 8.360 -0.253 10.797 172 HA ASP 24 HA ASP 24 9.445 -1.813 13.073 173 HB2 ASP 24 2HB ASP 24 6.834 -0.320 13.038 174 HB3 ASP 24 1HB ASP 24 7.789 -0.826 14.426 175 H GLY 25 H GLY 25 7.527 -2.234 10.345 176 HA2 GLY 25 2HA GLY 25 6.668 -4.405 9.769 177 HA3 GLY 25 1HA GLY 25 6.355 -4.712 11.471 178 H THR 26 H THR 26 5.512 -1.568 10.569 179 HA THR 26 HA THR 26 2.735 -2.264 9.868 180 HB THR 26 HB THR 26 2.023 -0.477 11.548 181 HG1 THR 26 1HG THR 26 3.992 0.423 12.022 182 HG21 THR 26 3HG2 THR 26 1.963 -2.087 13.391 183 HG22 THR 26 1HG2 THR 26 3.240 -3.036 12.624 184 HG23 THR 26 2HG2 THR 26 1.653 -2.905 11.858 185 H ILE 27 H ILE 27 1.614 -0.597 8.782 186 HA ILE 27 HA ILE 27 3.347 1.567 7.745 187 HB ILE 27 HB ILE 27 0.955 0.219 6.505 188 HG12 ILE 27 2HG1 ILE 27 3.784 0.382 5.502 189 HG13 ILE 27 1HG1 ILE 27 3.208 -0.956 6.494 190 HG21 ILE 27 1HG2 ILE 27 1.549 1.681 4.552 191 HG22 ILE 27 2HG2 ILE 27 2.615 2.583 5.625 192 HG23 ILE 27 3HG2 ILE 27 0.877 2.560 5.922 193 HD11 ILE 27 3HD1 ILE 27 1.868 -0.099 3.903 194 HD12 ILE 27 1HD1 ILE 27 1.531 -1.545 4.857 195 HD13 ILE 27 2HD1 ILE 27 3.065 -1.396 4.010 196 H THR 28 H THR 28 2.569 3.675 7.755 197 HA THR 28 HA THR 28 -0.067 4.158 8.990 198 HB THR 28 HB THR 28 1.438 4.290 10.858 199 HG1 THR 28 1HG THR 28 -0.066 6.167 10.158 200 HG21 THR 28 3HG2 THR 28 3.337 6.028 10.711 201 HG22 THR 28 1HG2 THR 28 3.126 5.899 8.973 202 HG23 THR 28 2HG2 THR 28 3.582 4.481 9.901 203 H THR 29 H THR 29 -0.730 6.413 8.806 204 HA THR 29 HA THR 29 -0.794 7.322 6.202 205 HB THR 29 HB THR 29 -1.858 9.252 7.002 206 HG1 THR 29 1HG THR 29 -1.203 9.314 9.581 207 HG21 THR 29 3HG2 THR 29 -3.314 8.503 8.795 208 HG22 THR 29 1HG2 THR 29 -2.141 7.294 9.298 209 HG23 THR 29 2HG2 THR 29 -2.969 7.127 7.751 210 H LYS 30 H LYS 30 1.377 8.327 8.821 211 HA LYS 30 HA LYS 30 2.687 10.395 7.418 212 HB2 LYS 30 2HB LYS 30 3.548 8.672 9.743 213 HB3 LYS 30 1HB LYS 30 4.471 10.056 9.159 214 HG2 LYS 30 2HG LYS 30 2.621 11.559 9.610 215 HG3 LYS 30 1HG LYS 30 1.566 10.204 10.009 216 HD2 LYS 30 2HD LYS 30 2.348 11.206 12.079 217 HD3 LYS 30 1HD LYS 30 3.102 9.625 11.898 218 HE2 LYS 30 2HE LYS 30 5.190 10.551 11.316 219 HE3 LYS 30 1HE LYS 30 4.486 12.115 10.908 220 HZ1 LYS 30 3HZ LYS 30 4.260 12.687 13.105 221 HZ2 LYS 30 1HZ LYS 30 5.703 11.797 13.153 222 HZ3 LYS 30 2HZ LYS 30 4.245 11.078 13.649 223 H GLU 31 H GLU 31 3.511 6.972 7.835 224 HA GLU 31 HA GLU 31 5.974 7.030 6.450 225 HB2 GLU 31 2HB GLU 31 4.009 4.832 7.096 226 HB3 GLU 31 1HB GLU 31 5.460 4.510 6.159 227 HG2 GLU 31 2HG GLU 31 6.866 5.362 7.966 228 HG3 GLU 31 1HG GLU 31 5.443 5.808 8.899 229 H LEU 32 H LEU 32 2.853 5.716 5.356 230 HA LEU 32 HA LEU 32 3.611 5.528 2.647 231 HB2 LEU 32 2HB LEU 32 1.791 4.215 3.049 232 HB3 LEU 32 1HB LEU 32 1.104 5.310 4.230 233 HG LEU 32 HG LEU 32 1.104 6.186 1.342 234 HD11 LEU 32 1HD1 LEU 32 -0.873 4.964 0.797 235 HD12 LEU 32 2HD1 LEU 32 -0.973 4.274 2.415 236 HD13 LEU 32 3HD1 LEU 32 0.334 3.800 1.330 237 HD21 LEU 32 3HD2 LEU 32 0.081 7.284 3.675 238 HD22 LEU 32 1HD2 LEU 32 -1.317 6.483 2.977 239 HD23 LEU 32 2HD2 LEU 32 -0.432 7.685 2.049 240 H GLY 33 H GLY 33 1.886 8.059 4.437 241 HA2 GLY 33 2HA GLY 33 1.186 9.680 2.304 242 HA3 GLY 33 1HA GLY 33 1.554 10.270 3.916 243 H THR 34 H THR 34 4.236 9.534 4.114 244 HA THR 34 HA THR 34 5.524 11.683 2.857 245 HB THR 34 HB THR 34 6.696 9.115 3.954 246 HG1 THR 34 1HG THR 34 6.491 10.041 5.822 247 HG21 THR 34 3HG2 THR 34 8.354 10.142 2.572 248 HG22 THR 34 1HG2 THR 34 8.740 10.601 4.230 249 HG23 THR 34 2HG2 THR 34 7.941 11.753 3.159 250 H VAL 35 H VAL 35 5.494 8.177 2.019 251 HA VAL 35 HA VAL 35 7.137 8.351 -0.234 252 HB VAL 35 HB VAL 35 4.827 6.462 0.308 253 HG11 VAL 35 1HG1 VAL 35 5.446 6.209 -1.974 254 HG12 VAL 35 2HG1 VAL 35 6.314 4.928 -1.122 255 HG13 VAL 35 3HG1 VAL 35 7.163 6.397 -1.610 256 HG21 VAL 35 3HG2 VAL 35 6.657 6.644 2.082 257 HG22 VAL 35 1HG2 VAL 35 7.770 6.025 0.859 258 HG23 VAL 35 2HG2 VAL 35 6.406 5.040 1.392 259 H MET 36 H MET 36 3.632 8.754 0.144 260 HA MET 36 HA MET 36 3.023 8.940 -2.626 261 HB2 MET 36 2HB MET 36 1.596 10.026 -0.196 262 HB3 MET 36 1HB MET 36 0.932 10.057 -1.831 263 HG2 MET 36 2HG MET 36 1.863 7.527 -0.452 264 HG3 MET 36 1HG MET 36 0.188 8.074 -0.453 265 HE1 MET 36 3HE MET 36 -1.114 8.628 -2.331 266 HE2 MET 36 1HE MET 36 -1.448 6.891 -2.281 267 HE3 MET 36 2HE MET 36 -1.168 7.693 -3.824 268 H ARG 37 H ARG 37 3.889 11.373 -0.208 269 HA ARG 37 HA ARG 37 3.487 13.629 -1.914 270 HB2 ARG 37 2HB ARG 37 3.536 13.791 0.542 271 HB3 ARG 37 1HB ARG 37 5.267 13.449 0.503 272 HG2 ARG 37 2HG ARG 37 5.716 15.435 -0.771 273 HG3 ARG 37 1HG ARG 37 3.995 15.719 -1.044 274 HD2 ARG 37 2HD ARG 37 3.639 16.107 1.310 275 HD3 ARG 37 1HD ARG 37 5.309 15.692 1.666 276 HE ARG 37 HE ARG 37 5.343 17.780 -0.198 277 HH11 ARG 37 1HH2 ARG 37 4.314 17.197 3.067 278 HH12 ARG 37 2HH2 ARG 37 4.563 18.835 3.573 279 HH21 ARG 37 1HH1 ARG 37 5.669 19.917 0.467 280 HH22 ARG 37 2HH1 ARG 37 5.326 20.375 2.104 281 H SER 38 H SER 38 6.448 11.927 -0.902 282 HA SER 38 HA SER 38 8.327 13.384 -2.311 283 HB2 SER 38 2HB SER 38 9.163 11.736 -0.847 284 HB3 SER 38 1HB SER 38 8.199 10.462 -1.588 285 HG SER 38 HG SER 38 10.004 11.857 -3.198 286 H LEU 39 H LEU 39 6.110 10.942 -3.488 287 HA LEU 39 HA LEU 39 7.321 10.603 -6.044 288 HB2 LEU 39 2HB LEU 39 4.564 10.013 -4.980 289 HB3 LEU 39 1HB LEU 39 5.045 9.633 -6.631 290 HG LEU 39 HG LEU 39 6.662 8.712 -4.241 291 HD11 LEU 39 1HD1 LEU 39 5.436 6.467 -4.713 292 HD12 LEU 39 2HD1 LEU 39 4.211 7.470 -5.493 293 HD13 LEU 39 3HD1 LEU 39 4.588 7.702 -3.787 294 HD21 LEU 39 3HD2 LEU 39 6.532 7.979 -7.179 295 HD22 LEU 39 1HD2 LEU 39 7.180 6.846 -5.998 296 HD23 LEU 39 2HD2 LEU 39 7.940 8.414 -6.216 297 H GLY 40 H GLY 40 5.374 13.094 -4.695 298 HA2 GLY 40 2HA GLY 40 5.158 15.205 -5.761 299 HA3 GLY 40 1HA GLY 40 5.281 14.416 -7.328 300 H GLN 41 H GLN 41 3.201 13.080 -4.872 301 HA GLN 41 HA GLN 41 0.894 13.486 -6.586 302 HB2 GLN 41 2HB GLN 41 1.227 12.110 -3.915 303 HB3 GLN 41 1HB GLN 41 -0.282 12.183 -4.811 304 HG2 GLN 41 2HG GLN 41 0.778 11.076 -6.735 305 HG3 GLN 41 1HG GLN 41 2.307 11.014 -5.860 306 HE21 GLN 41 1HE2 GLN 41 1.639 8.550 -6.499 307 HE22 GLN 41 2HE2 GLN 41 0.860 7.710 -5.246 308 H ASN 42 H ASN 42 -0.524 15.080 -6.440 309 HA ASN 42 HA ASN 42 -0.223 17.348 -4.921 310 HB2 ASN 42 2HB ASN 42 -3.060 16.750 -5.527 311 HB3 ASN 42 1HB ASN 42 -2.052 18.084 -6.084 312 HD21 ASN 42 1HD2 ASN 42 -3.211 14.863 -6.866 313 HD22 ASN 42 2HD2 ASN 42 -2.524 14.793 -8.417 314 HA PRO 43 HA PRO 43 -1.956 16.864 -0.894 315 HB2 PRO 43 2HB PRO 43 -4.366 18.543 -1.432 316 HB3 PRO 43 1HB PRO 43 -3.063 18.794 -0.254 317 HG2 PRO 43 2HG PRO 43 -3.259 20.298 -2.452 318 HG3 PRO 43 1HG PRO 43 -1.680 19.808 -1.804 319 HD2 PRO 43 2HD PRO 43 -3.186 18.682 -4.150 320 HD3 PRO 43 1HD PRO 43 -1.445 18.999 -3.975 321 H THR 44 H THR 44 -2.565 14.719 -0.802 322 HA THR 44 HA THR 44 -5.438 14.173 -0.903 323 HB THR 44 HB THR 44 -4.494 13.614 -3.174 324 HG1 THR 44 1HG THR 44 -5.195 11.192 -2.022 325 HG21 THR 44 3HG2 THR 44 -2.280 12.815 -2.159 326 HG22 THR 44 1HG2 THR 44 -2.968 11.816 -3.439 327 HG23 THR 44 2HG2 THR 44 -3.132 11.326 -1.752 328 H GLU 45 H GLU 45 -2.615 14.077 0.686 329 HA GLU 45 HA GLU 45 -2.361 11.524 1.785 330 HB2 GLU 45 2HB GLU 45 -1.194 12.609 3.626 331 HB3 GLU 45 1HB GLU 45 -0.751 13.401 2.113 332 HG2 GLU 45 2HG GLU 45 -2.513 15.128 2.569 333 HG3 GLU 45 1HG GLU 45 -2.777 14.384 4.144 334 H ALA 46 H ALA 46 -4.881 13.777 2.097 335 HA ALA 46 HA ALA 46 -5.824 13.026 4.710 336 HB1 ALA 46 1HB ALA 46 -6.445 15.185 3.816 337 HB2 ALA 46 2HB ALA 46 -7.905 14.211 3.992 338 HB3 ALA 46 3HB ALA 46 -7.179 14.434 2.400 339 H GLU 47 H GLU 47 -6.626 12.156 1.386 340 HA GLU 47 HA GLU 47 -8.837 10.526 1.804 341 HB2 GLU 47 2HB GLU 47 -6.625 10.586 -0.228 342 HB3 GLU 47 1HB GLU 47 -7.744 9.233 -0.249 343 HG2 GLU 47 2HG GLU 47 -8.564 10.956 -1.756 344 HG3 GLU 47 1HG GLU 47 -9.641 10.874 -0.363 345 H LEU 48 H LEU 48 -5.393 9.647 1.811 346 HA LEU 48 HA LEU 48 -5.789 6.929 2.452 347 HB2 LEU 48 2HB LEU 48 -3.509 8.841 2.559 348 HB3 LEU 48 1HB LEU 48 -3.334 7.320 3.427 349 HG LEU 48 HG LEU 48 -2.442 7.197 1.091 350 HD11 LEU 48 1HD1 LEU 48 -4.859 5.439 0.949 351 HD12 LEU 48 2HD1 LEU 48 -3.845 5.264 2.379 352 HD13 LEU 48 3HD1 LEU 48 -3.156 5.040 0.778 353 HD21 LEU 48 3HD2 LEU 48 -4.182 8.865 0.248 354 HD22 LEU 48 1HD2 LEU 48 -5.328 7.524 0.219 355 HD23 LEU 48 2HD2 LEU 48 -3.888 7.476 -0.799 356 H GLN 49 H GLN 49 -5.017 9.718 4.504 357 HA GLN 49 HA GLN 49 -4.804 8.523 6.969 358 HB2 GLN 49 2HB GLN 49 -6.014 11.150 6.124 359 HB3 GLN 49 1HB GLN 49 -5.957 10.694 7.826 360 HG2 GLN 49 2HG GLN 49 -3.582 10.588 7.819 361 HG3 GLN 49 1HG GLN 49 -3.501 10.638 6.062 362 HE21 GLN 49 1HE2 GLN 49 -1.966 12.554 6.997 363 HE22 GLN 49 2HE2 GLN 49 -2.721 14.073 7.049 364 H ASP 50 H ASP 50 -7.821 9.553 5.402 365 HA ASP 50 HA ASP 50 -9.513 8.592 7.480 366 HB2 ASP 50 2HB ASP 50 -10.049 10.361 5.725 367 HB3 ASP 50 1HB ASP 50 -10.307 9.025 4.604 368 H MET 51 H MET 51 -8.397 7.216 4.402 369 HA MET 51 HA MET 51 -10.084 4.937 4.422 370 HB2 MET 51 2HB MET 51 -7.440 5.533 3.115 371 HB3 MET 51 1HB MET 51 -8.266 3.999 2.885 372 HG2 MET 51 2HG MET 51 -10.160 5.053 1.890 373 HG3 MET 51 1HG MET 51 -9.629 6.655 2.398 374 HE1 MET 51 3HE MET 51 -9.587 7.944 0.445 375 HE2 MET 51 1HE MET 51 -10.423 6.678 -0.466 376 HE3 MET 51 2HE MET 51 -9.014 7.480 -1.157 377 H ILE 52 H ILE 52 -6.788 5.479 5.659 378 HA ILE 52 HA ILE 52 -6.330 2.813 6.475 379 HB ILE 52 HB ILE 52 -5.111 5.457 7.257 380 HG12 ILE 52 2HG1 ILE 52 -3.981 2.947 5.964 381 HG13 ILE 52 1HG1 ILE 52 -4.558 4.359 5.084 382 HG21 ILE 52 1HG2 ILE 52 -3.420 3.989 8.549 383 HG22 ILE 52 2HG2 ILE 52 -4.674 2.754 8.537 384 HG23 ILE 52 3HG2 ILE 52 -4.971 4.298 9.325 385 HD11 ILE 52 3HD1 ILE 52 -2.029 4.201 5.512 386 HD12 ILE 52 1HD1 ILE 52 -2.405 4.590 7.190 387 HD13 ILE 52 2HD1 ILE 52 -2.813 5.729 5.903 388 H ASN 53 H ASN 53 -7.614 5.638 8.171 389 HA ASN 53 HA ASN 53 -7.933 4.437 10.698 390 HB2 ASN 53 2HB ASN 53 -9.241 6.779 9.327 391 HB3 ASN 53 1HB ASN 53 -9.734 6.279 10.943 392 HD21 ASN 53 1HD2 ASN 53 -7.230 5.538 12.054 393 HD22 ASN 53 2HD2 ASN 53 -6.233 6.910 12.129 394 H GLU 54 H GLU 54 -9.932 4.392 7.810 395 HA GLU 54 HA GLU 54 -12.240 3.290 9.134 396 HB2 GLU 54 2HB GLU 54 -12.430 4.661 7.090 397 HB3 GLU 54 1HB GLU 54 -11.581 3.409 6.183 398 HG2 GLU 54 2HG GLU 54 -13.351 1.797 6.678 399 HG3 GLU 54 1HG GLU 54 -14.178 2.981 7.690 400 H VAL 55 H VAL 55 -9.962 1.921 6.729 401 HA VAL 55 HA VAL 55 -10.975 -0.707 6.893 402 HB VAL 55 HB VAL 55 -9.000 -1.378 5.662 403 HG11 VAL 55 1HG1 VAL 55 -10.705 -0.194 4.396 404 HG12 VAL 55 2HG1 VAL 55 -9.119 0.313 3.814 405 HG13 VAL 55 3HG1 VAL 55 -10.042 1.363 4.890 406 HG21 VAL 55 3HG2 VAL 55 -7.942 1.238 6.712 407 HG22 VAL 55 1HG2 VAL 55 -7.281 0.554 5.225 408 HG23 VAL 55 2HG2 VAL 55 -7.181 -0.348 6.739 409 H ASP 56 H ASP 56 -8.427 0.919 8.744 410 HA ASP 56 HA ASP 56 -7.034 -1.104 9.903 411 HB2 ASP 56 2HB ASP 56 -6.675 1.223 10.515 412 HB3 ASP 56 1HB ASP 56 -8.226 1.273 11.348 413 H ALA 57 H ALA 57 -7.417 -2.842 11.115 414 HA ALA 57 HA ALA 57 -10.153 -3.467 11.876 415 HB1 ALA 57 1HB ALA 57 -9.427 -5.683 12.115 416 HB2 ALA 57 2HB ALA 57 -7.756 -5.206 12.413 417 HB3 ALA 57 3HB ALA 57 -8.437 -5.064 10.794 418 H ASP 58 H ASP 58 -7.047 -2.895 13.522 419 HA ASP 58 HA ASP 58 -8.242 -3.354 16.143 420 HB2 ASP 58 2HB ASP 58 -5.471 -2.548 15.250 421 HB3 ASP 58 1HB ASP 58 -5.941 -2.690 16.944 422 H GLY 59 H GLY 59 -7.645 -0.701 14.017 423 HA2 GLY 59 2HA GLY 59 -8.390 1.505 14.229 424 HA3 GLY 59 1HA GLY 59 -8.872 1.152 15.888 425 H ASN 60 H ASN 60 -5.729 0.158 15.029 426 HA ASN 60 HA ASN 60 -4.475 1.839 16.948 427 HB2 ASN 60 2HB ASN 60 -3.435 -0.080 14.860 428 HB3 ASN 60 1HB ASN 60 -2.374 0.799 15.959 429 HD21 ASN 60 1HD2 ASN 60 -2.561 -2.072 16.017 430 HD22 ASN 60 2HD2 ASN 60 -3.274 -2.521 17.491 431 H GLY 61 H GLY 61 -5.222 2.122 13.621 432 HA2 GLY 61 2HA GLY 61 -5.112 4.139 12.414 433 HA3 GLY 61 1HA GLY 61 -3.849 4.703 13.499 434 H THR 62 H THR 62 -3.248 1.528 12.630 435 HA THR 62 HA THR 62 -1.544 2.309 10.324 436 HB THR 62 HB THR 62 0.241 0.949 11.191 437 HG1 THR 62 1HG THR 62 -0.998 -0.648 12.187 438 HG21 THR 62 3HG2 THR 62 0.933 2.321 12.969 439 HG22 THR 62 1HG2 THR 62 -0.702 2.475 13.605 440 HG23 THR 62 2HG2 THR 62 -0.246 3.333 12.135 441 H ILE 63 H ILE 63 -0.918 0.488 8.953 442 HA ILE 63 HA ILE 63 -3.060 -1.557 8.833 443 HB ILE 63 HB ILE 63 -1.137 -0.769 6.642 444 HG12 ILE 63 2HG1 ILE 63 -2.412 1.214 7.188 445 HG13 ILE 63 1HG1 ILE 63 -3.112 0.512 5.731 446 HG21 ILE 63 1HG2 ILE 63 -2.361 -3.007 6.597 447 HG22 ILE 63 2HG2 ILE 63 -2.631 -1.960 5.204 448 HG23 ILE 63 3HG2 ILE 63 -3.851 -2.082 6.468 449 HD11 ILE 63 3HD1 ILE 63 -4.993 0.975 7.060 450 HD12 ILE 63 1HD1 ILE 63 -4.183 0.477 8.542 451 HD13 ILE 63 2HD1 ILE 63 -4.706 -0.733 7.373 452 H ASP 64 H ASP 64 -2.551 -3.574 9.348 453 HA ASP 64 HA ASP 64 0.252 -4.308 9.745 454 HB2 ASP 64 2HB ASP 64 -2.381 -5.512 10.556 455 HB3 ASP 64 1HB ASP 64 -0.873 -6.420 10.702 456 H PHE 65 H PHE 65 0.489 -6.853 9.317 457 HA PHE 65 HA PHE 65 0.963 -7.175 6.615 458 HB2 PHE 65 2HB PHE 65 2.093 -8.934 7.525 459 HB3 PHE 65 1HB PHE 65 1.197 -8.753 9.022 460 HD1 PHE 65 1HD PHE 65 0.707 -10.078 5.542 461 HD2 PHE 65 2HD PHE 65 -0.130 -10.579 9.729 462 HE1 PHE 65 1HE PHE 65 -0.549 -12.155 5.046 463 HE2 PHE 65 2HE PHE 65 -1.388 -12.658 9.222 464 HZ PHE 65 HZ PHE 65 -1.600 -13.441 6.880 465 HA PRO 66 HA PRO 66 -3.066 -9.728 6.184 466 HB2 PRO 66 2HB PRO 66 -4.947 -9.075 8.298 467 HB3 PRO 66 1HB PRO 66 -4.136 -10.620 8.000 468 HG2 PRO 66 2HG PRO 66 -3.655 -8.930 10.156 469 HG3 PRO 66 1HG PRO 66 -2.587 -10.235 9.615 470 HD2 PRO 66 2HD PRO 66 -2.370 -7.297 9.162 471 HD3 PRO 66 1HD PRO 66 -1.087 -8.505 9.338 472 H GLU 67 H GLU 67 -3.941 -6.714 7.866 473 HA GLU 67 HA GLU 67 -6.182 -6.038 6.382 474 HB2 GLU 67 2HB GLU 67 -4.085 -4.264 7.646 475 HB3 GLU 67 1HB GLU 67 -5.624 -3.675 7.016 476 HG2 GLU 67 2HG GLU 67 -6.838 -5.137 8.550 477 HG3 GLU 67 1HG GLU 67 -5.323 -5.802 9.153 478 H PHE 68 H PHE 68 -2.773 -5.387 5.733 479 HA PHE 68 HA PHE 68 -3.263 -3.830 3.377 480 HB2 PHE 68 2HB PHE 68 -1.146 -3.857 4.830 481 HB3 PHE 68 1HB PHE 68 -0.717 -5.333 3.974 482 HD1 PHE 68 1HD PHE 68 -0.708 -5.261 1.401 483 HD2 PHE 68 2HD PHE 68 -0.713 -1.747 3.865 484 HE1 PHE 68 1HE PHE 68 0.130 -3.919 -0.511 485 HE2 PHE 68 2HE PHE 68 0.126 -0.408 1.963 486 HZ PHE 68 HZ PHE 68 0.539 -1.489 -0.230 487 H LEU 69 H LEU 69 -1.702 -7.005 3.696 488 HA LEU 69 HA LEU 69 -1.754 -7.783 1.067 489 HB2 LEU 69 2HB LEU 69 -0.567 -9.132 2.591 490 HB3 LEU 69 1HB LEU 69 -1.973 -9.352 3.633 491 HG LEU 69 HG LEU 69 -2.230 -10.340 0.812 492 HD11 LEU 69 1HD1 LEU 69 -0.098 -11.259 1.098 493 HD12 LEU 69 2HD1 LEU 69 -1.157 -12.547 1.668 494 HD13 LEU 69 3HD1 LEU 69 -0.330 -11.513 2.826 495 HD21 LEU 69 3HD2 LEU 69 -2.902 -11.879 3.321 496 HD22 LEU 69 1HD2 LEU 69 -3.712 -11.893 1.757 497 HD23 LEU 69 2HD2 LEU 69 -3.921 -10.528 2.848 498 H THR 70 H THR 70 -4.439 -7.546 3.283 499 HA THR 70 HA THR 70 -6.189 -9.190 1.655 500 HB THR 70 HB THR 70 -6.673 -7.488 4.099 501 HG1 THR 70 1HG THR 70 -6.920 -10.232 4.124 502 HG21 THR 70 3HG2 THR 70 -8.754 -7.652 2.926 503 HG22 THR 70 1HG2 THR 70 -8.802 -8.881 4.193 504 HG23 THR 70 2HG2 THR 70 -8.465 -9.345 2.525 505 H MET 71 H MET 71 -6.650 -5.884 2.897 506 HA MET 71 HA MET 71 -8.605 -5.101 1.150 507 HB2 MET 71 2HB MET 71 -8.245 -2.892 1.825 508 HB3 MET 71 1HB MET 71 -7.612 -3.832 3.167 509 HG2 MET 71 2HG MET 71 -5.320 -3.517 2.341 510 HG3 MET 71 1HG MET 71 -5.910 -2.651 0.930 511 HE1 MET 71 3HE MET 71 -5.615 -1.222 5.240 512 HE2 MET 71 1HE MET 71 -4.973 -2.696 4.508 513 HE3 MET 71 2HE MET 71 -6.692 -2.561 4.867 514 H MET 72 H MET 72 -5.361 -5.766 0.330 515 HA MET 72 HA MET 72 -5.441 -4.109 -2.097 516 HB2 MET 72 2HB MET 72 -3.151 -4.348 -2.224 517 HB3 MET 72 1HB MET 72 -3.379 -4.517 -0.487 518 HG2 MET 72 2HG MET 72 -3.443 -7.018 -0.812 519 HG3 MET 72 1HG MET 72 -3.011 -6.755 -2.501 520 HE1 MET 72 3HE MET 72 0.506 -5.693 -2.641 521 HE2 MET 72 1HE MET 72 -1.059 -5.007 -3.102 522 HE3 MET 72 2HE MET 72 -0.742 -6.723 -3.338 523 H ALA 73 H ALA 73 -5.698 -7.433 -1.049 524 HA ALA 73 HA ALA 73 -5.365 -8.650 -3.603 525 HB1 ALA 73 1HB ALA 73 -5.009 -9.961 -1.628 526 HB2 ALA 73 2HB ALA 73 -6.404 -10.636 -2.471 527 HB3 ALA 73 3HB ALA 73 -6.639 -9.624 -1.044 528 H ARG 74 H ARG 74 -7.794 -6.670 -2.563 529 HA ARG 74 HA ARG 74 -9.889 -8.057 -4.135 530 HB2 ARG 74 2HB ARG 74 -11.415 -6.416 -2.957 531 HB3 ARG 74 1HB ARG 74 -10.633 -7.603 -1.913 532 HG2 ARG 74 2HG ARG 74 -9.004 -6.007 -1.162 533 HG3 ARG 74 1HG ARG 74 -9.508 -4.829 -2.380 534 HD2 ARG 74 2HD ARG 74 -11.293 -5.868 -0.161 535 HD3 ARG 74 1HD ARG 74 -10.417 -4.343 -0.097 536 HE ARG 74 HE ARG 74 -11.847 -4.216 -2.440 537 HH11 ARG 74 1HH2 ARG 74 -12.553 -4.790 0.905 538 HH12 ARG 74 2HH2 ARG 74 -14.133 -4.082 0.835 539 HH21 ARG 74 1HH1 ARG 74 -13.914 -3.283 -2.539 540 HH22 ARG 74 2HH1 ARG 74 -14.905 -3.228 -1.118 541 H LYS 75 H LYS 75 -7.556 -5.770 -4.483 542 HA LYS 75 HA LYS 75 -8.979 -3.714 -5.890 543 HB2 LYS 75 2HB LYS 75 -6.037 -4.422 -5.861 544 HB3 LYS 75 1HB LYS 75 -6.717 -2.944 -6.536 545 HG2 LYS 75 2HG LYS 75 -7.272 -3.723 -3.672 546 HG3 LYS 75 1HG LYS 75 -5.786 -2.881 -4.101 547 HD2 LYS 75 2HD LYS 75 -7.162 -1.083 -5.166 548 HD3 LYS 75 1HD LYS 75 -8.617 -1.896 -4.595 549 HE2 LYS 75 2HE LYS 75 -6.378 -0.974 -2.784 550 HE3 LYS 75 1HE LYS 75 -7.856 -0.059 -3.077 551 HZ1 LYS 75 3HZ LYS 75 -7.445 -2.162 -1.279 552 HZ2 LYS 75 1HZ LYS 75 -8.558 -2.690 -2.443 553 HZ3 LYS 75 2HZ LYS 75 -8.868 -1.275 -1.554 554 H MET 76 H MET 76 -7.234 -6.633 -6.809 555 HA MET 76 HA MET 76 -7.221 -6.168 -9.613 556 HB2 MET 76 2HB MET 76 -7.089 -8.727 -8.000 557 HB3 MET 76 1HB MET 76 -6.821 -8.635 -9.742 558 HG2 MET 76 2HG MET 76 -4.967 -7.049 -9.367 559 HG3 MET 76 1HG MET 76 -5.223 -7.163 -7.627 560 HE1 MET 76 3HE MET 76 -5.190 -9.057 -6.300 561 HE2 MET 76 1HE MET 76 -4.076 -10.419 -6.469 562 HE3 MET 76 2HE MET 76 -5.701 -10.518 -7.139 563 H LYS 77 H LYS 77 -8.792 -9.036 -8.417 564 HA LYS 77 HA LYS 77 -11.453 -8.207 -9.239 565 HB2 LYS 77 2HB LYS 77 -11.673 -10.062 -10.888 566 HB3 LYS 77 1HB LYS 77 -10.507 -8.837 -11.395 567 HG2 LYS 77 2HG LYS 77 -8.665 -10.246 -10.508 568 HG3 LYS 77 1HG LYS 77 -9.843 -11.486 -10.074 569 HD2 LYS 77 2HD LYS 77 -10.501 -11.719 -12.429 570 HD3 LYS 77 1HD LYS 77 -9.382 -10.435 -12.882 571 HE2 LYS 77 2HE LYS 77 -8.376 -12.637 -13.315 572 HE3 LYS 77 1HE LYS 77 -7.490 -11.797 -12.044 573 HZ1 LYS 77 3HZ LYS 77 -7.921 -14.115 -11.483 574 HZ2 LYS 77 1HZ LYS 77 -9.593 -13.847 -11.603 575 HZ3 LYS 77 2HZ LYS 77 -8.691 -13.061 -10.394 576 H1 GLY 45 1HT GLY 45 -13.294 12.482 -8.202 577 H2 GLY 45 2HT GLY 45 -11.609 12.698 -8.194 578 H3 GLY 45 3HT GLY 45 -12.635 13.982 -7.765 579 HA2 GLY 45 2HA GLY 45 -11.553 12.902 -5.836 580 HA3 GLY 45 1HA GLY 45 -13.316 12.895 -5.777 581 H THR 46 H THR 46 -11.836 10.852 -8.133 582 HA THR 46 HA THR 46 -13.044 8.506 -7.177 583 HB THR 46 HB THR 46 -11.599 7.313 -8.752 584 HG1 THR 46 1HG THR 46 -10.195 9.755 -8.673 585 HG21 THR 46 3HG2 THR 46 -12.044 8.780 -10.795 586 HG22 THR 46 1HG2 THR 46 -12.690 9.977 -9.672 587 HG23 THR 46 2HG2 THR 46 -13.447 8.389 -9.801 588 H GLY 47 H GLY 47 -9.558 9.310 -7.126 589 HA2 GLY 47 2HA GLY 47 -7.843 8.360 -5.870 590 HA3 GLY 47 1HA GLY 47 -8.876 8.898 -4.548 591 H ALA 48 H ALA 48 -9.479 7.406 -3.150 592 HA ALA 48 HA ALA 48 -9.463 5.315 -2.137 593 HB1 ALA 48 1HB ALA 48 -11.330 3.949 -3.041 594 HB2 ALA 48 2HB ALA 48 -11.389 5.016 -4.446 595 HB3 ALA 48 3HB ALA 48 -11.753 5.649 -2.841 596 H ALA 49 H ALA 49 -10.344 3.540 -4.908 597 HA ALA 49 HA ALA 49 -8.266 1.668 -4.625 598 HB1 ALA 49 1HB ALA 49 -9.038 0.900 -6.932 599 HB2 ALA 49 2HB ALA 49 -10.193 2.232 -6.879 600 HB3 ALA 49 3HB ALA 49 -10.273 0.948 -5.674 601 H LEU 50 H LEU 50 -8.644 4.396 -6.851 602 HA LEU 50 HA LEU 50 -6.376 3.873 -8.447 603 HB2 LEU 50 2HB LEU 50 -8.132 5.454 -9.110 604 HB3 LEU 50 1HB LEU 50 -7.708 6.506 -7.765 605 HG LEU 50 HG LEU 50 -5.462 6.853 -8.723 606 HD11 LEU 50 1HD1 LEU 50 -6.459 4.826 -10.720 607 HD12 LEU 50 2HD1 LEU 50 -4.895 4.910 -9.905 608 HD13 LEU 50 3HD1 LEU 50 -5.265 6.028 -11.214 609 HD21 LEU 50 3HD2 LEU 50 -6.218 8.050 -10.827 610 HD22 LEU 50 1HD2 LEU 50 -7.144 8.444 -9.379 611 HD23 LEU 50 2HD2 LEU 50 -7.810 7.334 -10.576 612 H SER 51 H SER 51 -6.829 5.821 -5.520 613 HA SER 51 HA SER 51 -4.197 6.847 -5.367 614 HB2 SER 51 2HB SER 51 -6.288 6.345 -3.242 615 HB3 SER 51 1HB SER 51 -4.787 7.216 -2.951 616 HG SER 51 HG SER 51 -6.292 8.734 -3.486 617 H TRP 52 H TRP 52 -5.746 4.135 -3.679 618 HA TRP 52 HA TRP 52 -3.467 3.247 -2.308 619 HB2 TRP 52 2HB TRP 52 -6.193 2.333 -2.794 620 HB3 TRP 52 1HB TRP 52 -5.088 0.967 -2.828 621 HD1 TRP 52 HD TRP 52 -7.238 2.401 -0.492 622 HE1 TRP 52 1HE TRP 52 -6.375 2.260 1.934 623 HE3 TRP 52 3HE TRP 52 -2.302 1.448 -1.372 624 HZ2 TRP 52 2HZ TRP 52 -3.913 1.801 3.320 625 HZ3 TRP 52 3HZ TRP 52 -0.718 1.171 0.506 626 HH2 TRP 52 HH TRP 52 -1.507 1.339 2.860 627 H GLN 53 H GLN 53 -4.839 2.203 -5.426 628 HA GLN 53 HA GLN 53 -2.860 0.250 -5.968 629 HB2 GLN 53 2HB GLN 53 -5.053 0.311 -7.099 630 HB3 GLN 53 1HB GLN 53 -4.579 1.798 -7.919 631 HG2 GLN 53 2HG GLN 53 -2.731 0.643 -9.025 632 HG3 GLN 53 1HG GLN 53 -3.094 -0.836 -8.138 633 HE21 GLN 53 1HE2 GLN 53 -4.273 -2.298 -9.362 634 HE22 GLN 53 2HE2 GLN 53 -5.380 -1.883 -10.582 635 H ALA 54 H ALA 54 -3.083 3.695 -6.723 636 HA ALA 54 HA ALA 54 -0.937 3.856 -8.526 637 HB1 ALA 54 1HB ALA 54 -0.834 6.272 -7.791 638 HB2 ALA 54 2HB ALA 54 -2.090 5.889 -6.615 639 HB3 ALA 54 3HB ALA 54 -2.417 5.721 -8.339 640 H ALA 55 H ALA 55 -1.016 3.865 -5.000 641 HA ALA 55 HA ALA 55 1.579 4.764 -4.470 642 HB1 ALA 55 1HB ALA 55 -0.188 2.784 -3.034 643 HB2 ALA 55 2HB ALA 55 0.078 4.483 -2.643 644 HB3 ALA 55 3HB ALA 55 1.370 3.307 -2.395 645 H ILE 56 H ILE 56 0.452 1.415 -4.987 646 HA ILE 56 HA ILE 56 3.012 0.211 -4.776 647 HB ILE 56 HB ILE 56 0.434 -0.683 -6.077 648 HG12 ILE 56 2HG1 ILE 56 0.476 -2.259 -4.093 649 HG13 ILE 56 1HG1 ILE 56 1.858 -1.356 -3.481 650 HG21 ILE 56 1HG2 ILE 56 2.091 -1.904 -7.257 651 HG22 ILE 56 2HG2 ILE 56 1.563 -2.986 -5.970 652 HG23 ILE 56 3HG2 ILE 56 3.085 -2.108 -5.814 653 HD11 ILE 56 3HD1 ILE 56 -0.546 -0.721 -2.661 654 HD12 ILE 56 1HD1 ILE 56 -0.672 0.098 -4.214 655 HD13 ILE 56 2HD1 ILE 56 0.582 0.566 -3.070 656 H ASP 57 H ASP 57 1.109 1.325 -7.554 657 HA ASP 57 HA ASP 57 2.846 0.425 -9.575 658 HB2 ASP 57 2HB ASP 57 0.881 2.712 -9.449 659 HB3 ASP 57 1HB ASP 57 1.752 2.284 -10.920 660 H ALA 58 H ALA 58 2.688 3.542 -7.867 661 HA ALA 58 HA ALA 58 4.856 4.720 -9.291 662 HB1 ALA 58 1HB ALA 58 4.809 6.421 -7.507 663 HB2 ALA 58 2HB ALA 58 3.708 5.403 -6.575 664 HB3 ALA 58 3HB ALA 58 3.190 6.080 -8.119 665 H ALA 59 H ALA 59 4.599 2.959 -6.226 666 HA ALA 59 HA ALA 59 7.274 3.338 -5.381 667 HB1 ALA 59 1HB ALA 59 6.814 1.215 -4.039 668 HB2 ALA 59 2HB ALA 59 5.214 1.216 -4.778 669 HB3 ALA 59 3HB ALA 59 5.713 2.564 -3.759 670 H ARG 60 H ARG 60 5.696 0.782 -7.266 671 HA ARG 60 HA ARG 60 7.930 -0.899 -7.560 672 HB2 ARG 60 2HB ARG 60 5.475 -1.386 -8.100 673 HB3 ARG 60 1HB ARG 60 5.752 -0.532 -9.615 674 HG2 ARG 60 2HG ARG 60 6.258 -2.696 -10.296 675 HG3 ARG 60 1HG ARG 60 7.859 -2.177 -9.770 676 HD2 ARG 60 2HD ARG 60 7.374 -4.357 -8.804 677 HD3 ARG 60 1HD ARG 60 7.372 -3.162 -7.513 678 HE ARG 60 HE ARG 60 4.771 -3.591 -8.682 679 HH11 ARG 60 1HH2 ARG 60 7.092 -4.722 -6.362 680 HH12 ARG 60 2HH2 ARG 60 5.897 -5.407 -5.311 681 HH21 ARG 60 1HH1 ARG 60 3.218 -4.469 -7.309 682 HH22 ARG 60 2HH1 ARG 60 3.702 -5.257 -5.843 683 H GLN 61 H GLN 61 6.676 1.720 -9.623 684 HA GLN 61 HA GLN 61 8.661 1.471 -11.637 685 HB2 GLN 61 2HB GLN 61 6.520 2.669 -11.980 686 HB3 GLN 61 1HB GLN 61 7.053 3.915 -10.852 687 HG2 GLN 61 2HG GLN 61 8.915 4.503 -12.290 688 HG3 GLN 61 1HG GLN 61 8.558 3.156 -13.369 689 HE21 GLN 61 1HE2 GLN 61 8.612 5.865 -14.325 690 HE22 GLN 61 2HE2 GLN 61 7.032 6.296 -14.773 691 H ALA 62 H ALA 62 8.404 3.406 -8.695 692 HA ALA 62 HA ALA 62 10.730 4.965 -9.060 693 HB1 ALA 62 1HB ALA 62 9.096 5.601 -7.402 694 HB2 ALA 62 2HB ALA 62 10.611 5.250 -6.568 695 HB3 ALA 62 3HB ALA 62 9.300 4.070 -6.548 696 H LYS 63 H LYS 63 10.188 1.820 -7.520 697 HA LYS 63 HA LYS 63 12.796 1.466 -6.494 698 HB2 LYS 63 2HB LYS 63 10.826 0.108 -5.817 699 HB3 LYS 63 1HB LYS 63 10.839 -0.660 -7.405 700 HG2 LYS 63 2HG LYS 63 13.095 -1.525 -6.996 701 HG3 LYS 63 1HG LYS 63 13.145 -0.704 -5.435 702 HD2 LYS 63 2HD LYS 63 11.207 -2.040 -4.675 703 HD3 LYS 63 1HD LYS 63 11.183 -2.878 -6.227 704 HE2 LYS 63 2HE LYS 63 13.569 -2.841 -4.360 705 HE3 LYS 63 1HE LYS 63 12.389 -4.149 -4.429 706 HZ1 LYS 63 3HZ LYS 63 13.129 -3.664 -7.037 707 HZ2 LYS 63 1HZ LYS 63 13.576 -4.992 -6.081 708 HZ3 LYS 63 2HZ LYS 63 14.578 -3.621 -6.151 709 H LEU 64 H LEU 64 11.301 0.463 -9.558 710 HA LEU 64 HA LEU 64 13.542 -0.902 -10.597 711 HB2 LEU 64 2HB LEU 64 11.195 0.456 -11.932 712 HB3 LEU 64 1HB LEU 64 12.385 -0.492 -12.818 713 HG LEU 64 HG LEU 64 10.878 -1.598 -10.433 714 HD11 LEU 64 1HD1 LEU 64 10.122 -1.635 -13.367 715 HD12 LEU 64 2HD1 LEU 64 9.173 -1.007 -12.019 716 HD13 LEU 64 3HD1 LEU 64 9.439 -2.744 -12.177 717 HD21 LEU 64 3HD2 LEU 64 12.582 -2.780 -12.642 718 HD22 LEU 64 1HD2 LEU 64 11.409 -3.771 -11.778 719 HD23 LEU 64 2HD2 LEU 64 12.726 -3.009 -10.901 720 H MET 65 H MET 65 12.490 2.473 -10.920 721 HA MET 65 HA MET 65 14.559 3.227 -12.720 722 HB2 MET 65 2HB MET 65 12.785 4.826 -10.871 723 HB3 MET 65 1HB MET 65 13.940 5.565 -11.982 724 HG2 MET 65 2HG MET 65 12.845 4.458 -13.885 725 HG3 MET 65 1HG MET 65 11.714 3.671 -12.789 726 HE1 MET 65 3HE MET 65 12.957 7.623 -12.546 727 HE2 MET 65 1HE MET 65 12.067 8.016 -14.021 728 HE3 MET 65 2HE MET 65 13.281 6.741 -14.037 729 H GLY 66 H GLY 66 14.284 3.245 -9.195 730 HA2 GLY 66 2HA GLY 66 16.020 3.144 -7.643 731 HA3 GLY 66 1HA GLY 66 17.175 3.381 -8.950 732 H SER 67 H SER 67 14.638 5.654 -9.012 733 HA SER 67 HA SER 67 15.905 7.563 -7.214 734 HB2 SER 67 2HB SER 67 16.172 9.261 -9.043 735 HB3 SER 67 1HB SER 67 17.296 7.910 -9.149 736 HG SER 67 HG SER 67 15.343 7.045 -10.491 737 H ALA 68 H ALA 68 14.686 9.594 -7.080 738 HA ALA 68 HA ALA 68 12.650 10.557 -6.557 739 HB1 ALA 68 1HB ALA 68 11.395 11.191 -8.492 740 HB2 ALA 68 2HB ALA 68 12.007 9.819 -9.416 741 HB3 ALA 68 3HB ALA 68 13.091 11.141 -8.976 Start of MODEL 15 1 H1 ALA 1 1HT ALA 1 -6.988 -13.959 -13.600 2 H2 ALA 1 2HT ALA 1 -6.140 -14.732 -12.346 3 H3 ALA 1 3HT ALA 1 -6.198 -13.037 -12.416 4 HA ALA 1 HA ALA 1 -7.990 -13.044 -11.130 5 HB1 ALA 1 2HB ALA 1 -9.090 -14.722 -13.406 6 HB2 ALA 1 3HB ALA 1 -9.283 -12.984 -13.175 7 HB3 ALA 1 1HB ALA 1 -10.082 -14.111 -12.080 8 H ASP 2 H ASP 2 -6.031 -15.443 -11.346 9 HA ASP 2 HA ASP 2 -7.478 -17.653 -10.220 10 HB2 ASP 2 2HB ASP 2 -4.543 -17.069 -10.637 11 HB3 ASP 2 1HB ASP 2 -5.148 -18.586 -9.969 12 H GLN 3 H GLN 3 -7.347 -18.470 -8.136 13 HA GLN 3 HA GLN 3 -7.536 -16.747 -5.995 14 HB2 GLN 3 2HB GLN 3 -7.164 -18.725 -4.559 15 HB3 GLN 3 1HB GLN 3 -8.254 -19.090 -5.897 16 HG2 GLN 3 2HG GLN 3 -6.336 -20.024 -7.174 17 HG3 GLN 3 1HG GLN 3 -5.289 -19.721 -5.790 18 HE21 GLN 3 1HE2 GLN 3 -7.687 -20.454 -3.965 19 HE22 GLN 3 2HE2 GLN 3 -7.698 -22.151 -3.991 20 H LEU 4 H LEU 4 -6.022 -16.801 -3.997 21 HA LEU 4 HA LEU 4 -3.734 -15.386 -4.499 22 HB2 LEU 4 2HB LEU 4 -5.025 -16.170 -2.246 23 HB3 LEU 4 1HB LEU 4 -3.611 -17.211 -2.146 24 HG LEU 4 HG LEU 4 -2.299 -14.972 -2.695 25 HD11 LEU 4 1HD1 LEU 4 -4.831 -13.922 -1.402 26 HD12 LEU 4 2HD1 LEU 4 -4.372 -13.656 -3.082 27 HD13 LEU 4 3HD1 LEU 4 -3.386 -12.985 -1.785 28 HD21 LEU 4 3HD2 LEU 4 -2.324 -14.449 -0.187 29 HD22 LEU 4 1HD2 LEU 4 -1.897 -16.098 -0.634 30 HD23 LEU 4 2HD2 LEU 4 -3.515 -15.739 -0.034 31 H THR 5 H THR 5 -1.459 -16.261 -3.592 32 HA THR 5 HA THR 5 -0.692 -18.906 -4.214 33 HB THR 5 HB THR 5 -1.239 -17.752 -6.536 34 HG1 THR 5 1HG THR 5 1.142 -18.874 -6.902 35 HG21 THR 5 3HG2 THR 5 1.654 -16.978 -6.250 36 HG22 THR 5 1HG2 THR 5 0.373 -15.831 -5.864 37 HG23 THR 5 2HG2 THR 5 0.504 -16.487 -7.495 38 H GLU 6 H GLU 6 1.831 -18.970 -4.548 39 HA GLU 6 HA GLU 6 3.053 -17.843 -2.311 40 HB2 GLU 6 2HB GLU 6 3.936 -19.791 -3.588 41 HB3 GLU 6 1HB GLU 6 4.380 -18.699 -4.898 42 HG2 GLU 6 2HG GLU 6 5.893 -17.479 -3.413 43 HG3 GLU 6 1HG GLU 6 5.412 -18.493 -2.054 44 H GLU 7 H GLU 7 3.371 -16.816 -5.706 45 HA GLU 7 HA GLU 7 4.988 -14.641 -5.435 46 HB2 GLU 7 2HB GLU 7 4.336 -15.139 -7.628 47 HB3 GLU 7 1HB GLU 7 2.628 -15.175 -7.213 48 HG2 GLU 7 2HG GLU 7 2.517 -12.803 -7.028 49 HG3 GLU 7 1HG GLU 7 4.271 -12.647 -7.095 50 H GLN 8 H GLN 8 1.423 -14.466 -5.241 51 HA GLN 8 HA GLN 8 1.021 -11.860 -4.686 52 HB2 GLN 8 2HB GLN 8 -0.310 -14.319 -3.622 53 HB3 GLN 8 1HB GLN 8 -0.917 -12.716 -3.217 54 HG2 GLN 8 2HG GLN 8 -0.469 -13.673 -6.058 55 HG3 GLN 8 1HG GLN 8 -2.013 -13.799 -5.221 56 HE21 GLN 8 1HE2 GLN 8 -0.583 -11.933 -7.464 57 HE22 GLN 8 2HE2 GLN 8 -1.258 -10.423 -7.089 58 H ILE 9 H ILE 9 1.488 -14.278 -2.034 59 HA ILE 9 HA ILE 9 1.458 -12.370 0.010 60 HB ILE 9 HB ILE 9 2.793 -14.110 1.315 61 HG12 ILE 9 2HG1 ILE 9 2.345 -15.702 -1.225 62 HG13 ILE 9 1HG1 ILE 9 3.911 -15.063 -0.726 63 HG21 ILE 9 1HG2 ILE 9 0.346 -14.026 1.346 64 HG22 ILE 9 2HG2 ILE 9 0.881 -15.706 1.294 65 HG23 ILE 9 3HG2 ILE 9 0.277 -14.928 -0.169 66 HD11 ILE 9 3HD1 ILE 9 3.898 -16.401 1.275 67 HD12 ILE 9 1HD1 ILE 9 3.544 -17.448 -0.094 68 HD13 ILE 9 2HD1 ILE 9 2.242 -16.928 0.969 69 H ALA 10 H ALA 10 4.259 -13.680 -1.777 70 HA ALA 10 HA ALA 10 6.230 -12.204 -0.409 71 HB1 ALA 10 1HB ALA 10 7.687 -12.835 -2.178 72 HB2 ALA 10 2HB ALA 10 6.353 -12.971 -3.326 73 HB3 ALA 10 3HB ALA 10 6.528 -14.158 -2.036 74 H GLU 11 H GLU 11 4.251 -11.491 -3.233 75 HA GLU 11 HA GLU 11 5.441 -9.102 -4.073 76 HB2 GLU 11 2HB GLU 11 3.686 -10.385 -5.315 77 HB3 GLU 11 1HB GLU 11 2.492 -9.788 -4.164 78 HG2 GLU 11 2HG GLU 11 3.015 -7.479 -4.789 79 HG3 GLU 11 1HG GLU 11 4.251 -8.046 -5.909 80 H PHE 12 H PHE 12 2.818 -9.628 -1.694 81 HA PHE 12 HA PHE 12 2.426 -6.874 -1.149 82 HB2 PHE 12 2HB PHE 12 0.653 -7.777 -0.086 83 HB3 PHE 12 1HB PHE 12 1.329 -9.378 -0.331 84 HD1 PHE 12 2HD PHE 12 1.723 -6.389 1.894 85 HD2 PHE 12 1HD PHE 12 1.884 -10.663 1.542 86 HE1 PHE 12 2HE PHE 12 2.152 -6.570 4.322 87 HE2 PHE 12 1HE PHE 12 2.328 -10.844 3.968 88 HZ PHE 12 HZ PHE 12 2.454 -8.799 5.362 89 H LYS 13 H LYS 13 4.501 -9.349 0.296 90 HA LYS 13 HA LYS 13 5.411 -7.932 2.513 91 HB2 LYS 13 2HB LYS 13 5.893 -10.298 2.169 92 HB3 LYS 13 1HB LYS 13 6.881 -9.917 0.763 93 HG2 LYS 13 2HG LYS 13 7.647 -8.456 3.237 94 HG3 LYS 13 1HG LYS 13 7.872 -10.198 3.323 95 HD2 LYS 13 2HD LYS 13 8.848 -8.638 0.934 96 HD3 LYS 13 1HD LYS 13 9.814 -8.738 2.396 97 HE2 LYS 13 2HE LYS 13 9.562 -11.282 2.226 98 HE3 LYS 13 1HE LYS 13 8.926 -11.002 0.602 99 HZ1 LYS 13 3HZ LYS 13 11.613 -10.402 1.661 100 HZ2 LYS 13 1HZ LYS 13 11.017 -9.611 0.282 101 HZ3 LYS 13 2HZ LYS 13 11.187 -11.302 0.281 102 H GLU 14 H GLU 14 6.508 -7.903 -0.854 103 HA GLU 14 HA GLU 14 8.763 -6.219 -0.490 104 HB2 GLU 14 2HB GLU 14 6.974 -6.709 -2.882 105 HB3 GLU 14 1HB GLU 14 8.459 -5.765 -2.954 106 HG2 GLU 14 2HG GLU 14 9.765 -7.695 -2.225 107 HG3 GLU 14 1HG GLU 14 8.299 -8.646 -2.019 108 H ALA 15 H ALA 15 5.460 -5.471 -1.649 109 HA ALA 15 HA ALA 15 5.756 -2.692 -1.767 110 HB1 ALA 15 1HB ALA 15 3.149 -3.946 -0.961 111 HB2 ALA 15 2HB ALA 15 3.822 -4.269 -2.557 112 HB3 ALA 15 3HB ALA 15 3.450 -2.616 -2.082 113 H PHE 16 H PHE 16 4.853 -4.803 0.909 114 HA PHE 16 HA PHE 16 4.145 -2.818 2.755 115 HB2 PHE 16 2HB PHE 16 3.583 -4.827 3.671 116 HB3 PHE 16 1HB PHE 16 4.866 -5.676 2.824 117 HD1 PHE 16 2HD PHE 16 4.380 -3.218 5.634 118 HD2 PHE 16 1HD PHE 16 6.690 -6.477 4.044 119 HE1 PHE 16 2HE PHE 16 5.757 -3.261 7.698 120 HE2 PHE 16 1HE PHE 16 8.060 -6.513 6.102 121 HZ PHE 16 HZ PHE 16 7.598 -4.904 7.920 122 H SER 17 H SER 17 7.279 -4.395 2.207 123 HA SER 17 HA SER 17 8.745 -3.055 4.161 124 HB2 SER 17 2HB SER 17 9.592 -5.007 2.897 125 HB3 SER 17 1HB SER 17 9.727 -4.003 1.456 126 HG SER 17 HG SER 17 11.560 -3.331 2.209 127 H LEU 18 H LEU 18 7.806 -2.023 0.922 128 HA LEU 18 HA LEU 18 9.578 0.216 0.791 129 HB2 LEU 18 2HB LEU 18 7.004 -0.429 -0.646 130 HB3 LEU 18 1HB LEU 18 7.972 1.002 -0.997 131 HG LEU 18 HG LEU 18 9.042 -1.836 -1.086 132 HD11 LEU 18 1HD1 LEU 18 9.025 -1.306 -3.632 133 HD12 LEU 18 2HD1 LEU 18 7.828 -0.081 -3.218 134 HD13 LEU 18 3HD1 LEU 18 7.514 -1.777 -2.869 135 HD21 LEU 18 3HD2 LEU 18 10.734 -0.436 -2.635 136 HD22 LEU 18 1HD2 LEU 18 10.958 -0.544 -0.891 137 HD23 LEU 18 2HD2 LEU 18 10.203 0.886 -1.595 138 H PHE 19 H PHE 19 6.205 -0.147 1.837 139 HA PHE 19 HA PHE 19 5.824 2.643 2.316 140 HB2 PHE 19 2HB PHE 19 4.308 0.252 3.357 141 HB3 PHE 19 1HB PHE 19 3.772 1.925 3.495 142 HD1 PHE 19 1HD PHE 19 3.971 3.262 1.113 143 HD2 PHE 19 2HD PHE 19 3.397 -0.965 1.601 144 HE1 PHE 19 1HE PHE 19 3.010 3.126 -1.166 145 HE2 PHE 19 2HE PHE 19 2.436 -1.100 -0.660 146 HZ PHE 19 HZ PHE 19 2.242 0.943 -2.057 147 H ASP 20 H ASP 20 6.314 -0.097 4.573 148 HA ASP 20 HA ASP 20 6.368 1.458 6.915 149 HB2 ASP 20 2HB ASP 20 6.234 -1.081 6.715 150 HB3 ASP 20 1HB ASP 20 7.981 -1.060 6.490 151 H LYS 21 H LYS 21 7.603 3.337 6.097 152 HA LYS 21 HA LYS 21 10.335 3.198 5.401 153 HB2 LYS 21 2HB LYS 21 9.217 5.543 6.916 154 HB3 LYS 21 1HB LYS 21 10.403 5.535 5.614 155 HG2 LYS 21 2HG LYS 21 7.438 4.977 5.375 156 HG3 LYS 21 1HG LYS 21 8.292 6.381 4.761 157 HD2 LYS 21 2HD LYS 21 8.720 3.522 3.821 158 HD3 LYS 21 1HD LYS 21 7.825 4.761 2.961 159 HE2 LYS 21 2HE LYS 21 9.838 5.118 1.919 160 HE3 LYS 21 1HE LYS 21 10.175 6.088 3.352 161 HZ1 LYS 21 3HZ LYS 21 11.605 4.570 4.146 162 HZ2 LYS 21 1HZ LYS 21 11.699 4.064 2.529 163 HZ3 LYS 21 2HZ LYS 21 10.681 3.246 3.616 164 H ASP 22 H ASP 22 8.852 3.941 8.563 165 HA ASP 22 HA ASP 22 11.262 4.068 9.998 166 HB2 ASP 22 2HB ASP 22 9.774 3.618 11.984 167 HB3 ASP 22 1HB ASP 22 9.228 4.939 10.953 168 H GLY 23 H GLY 23 9.537 1.414 8.668 169 HA2 GLY 23 2HA GLY 23 9.930 -0.842 8.654 170 HA3 GLY 23 1HA GLY 23 11.556 -0.456 9.196 171 H ASP 24 H ASP 24 8.466 0.119 10.885 172 HA ASP 24 HA ASP 24 9.554 -1.270 13.225 173 HB2 ASP 24 2HB ASP 24 7.518 -0.399 14.365 174 HB3 ASP 24 1HB ASP 24 8.520 0.861 13.654 175 H GLY 25 H GLY 25 7.830 -2.150 10.538 176 HA2 GLY 25 2HA GLY 25 7.190 -4.456 10.215 177 HA3 GLY 25 1HA GLY 25 6.731 -4.533 11.914 178 H THR 26 H THR 26 5.707 -1.611 10.796 179 HA THR 26 HA THR 26 3.135 -2.579 9.720 180 HB THR 26 HB THR 26 2.068 -0.781 11.293 181 HG1 THR 26 1HG THR 26 3.220 -0.456 13.170 182 HG21 THR 26 3HG2 THR 26 1.813 -2.497 13.083 183 HG22 THR 26 1HG2 THR 26 3.102 -3.438 12.328 184 HG23 THR 26 2HG2 THR 26 1.586 -3.168 11.468 185 H ILE 27 H ILE 27 1.790 -0.647 9.004 186 HA ILE 27 HA ILE 27 3.574 1.418 7.818 187 HB ILE 27 HB ILE 27 1.025 0.218 6.723 188 HG12 ILE 27 2HG1 ILE 27 3.833 0.255 5.602 189 HG13 ILE 27 1HG1 ILE 27 3.166 -1.096 6.513 190 HG21 ILE 27 1HG2 ILE 27 0.973 2.538 6.158 191 HG22 ILE 27 2HG2 ILE 27 1.631 1.723 4.739 192 HG23 ILE 27 3HG2 ILE 27 2.709 2.570 5.850 193 HD11 ILE 27 3HD1 ILE 27 2.000 0.033 3.948 194 HD12 ILE 27 1HD1 ILE 27 1.341 -1.321 4.870 195 HD13 ILE 27 2HD1 ILE 27 2.914 -1.470 4.087 196 H THR 28 H THR 28 3.083 3.512 8.199 197 HA THR 28 HA THR 28 0.686 4.052 9.863 198 HB THR 28 HB THR 28 3.253 5.644 9.673 199 HG1 THR 28 1HG THR 28 3.239 3.454 10.682 200 HG21 THR 28 3HG2 THR 28 1.539 7.117 10.365 201 HG22 THR 28 1HG2 THR 28 2.272 6.566 11.871 202 HG23 THR 28 2HG2 THR 28 0.743 5.873 11.329 203 H THR 29 H THR 29 -0.239 6.231 9.633 204 HA THR 29 HA THR 29 -1.060 6.755 6.995 205 HB THR 29 HB THR 29 -1.150 8.760 9.255 206 HG1 THR 29 1HG THR 29 -2.145 6.268 9.169 207 HG21 THR 29 3HG2 THR 29 -3.094 8.116 7.025 208 HG22 THR 29 1HG2 THR 29 -1.926 9.436 6.977 209 HG23 THR 29 2HG2 THR 29 -3.216 9.441 8.175 210 H LYS 30 H LYS 30 1.361 8.322 9.037 211 HA LYS 30 HA LYS 30 2.019 10.390 7.203 212 HB2 LYS 30 2HB LYS 30 2.402 10.512 9.657 213 HB3 LYS 30 1HB LYS 30 3.646 9.270 9.495 214 HG2 LYS 30 2HG LYS 30 4.905 10.675 7.983 215 HG3 LYS 30 1HG LYS 30 3.638 11.895 8.021 216 HD2 LYS 30 2HD LYS 30 5.417 12.582 9.544 217 HD3 LYS 30 1HD LYS 30 4.000 12.133 10.490 218 HE2 LYS 30 2HE LYS 30 6.060 10.026 9.895 219 HE3 LYS 30 1HE LYS 30 6.390 11.211 11.159 220 HZ1 LYS 30 3HZ LYS 30 4.851 10.332 12.496 221 HZ2 LYS 30 1HZ LYS 30 4.963 8.958 11.506 222 HZ3 LYS 30 2HZ LYS 30 3.731 10.097 11.239 223 H GLU 31 H GLU 31 3.373 7.190 7.945 224 HA GLU 31 HA GLU 31 5.702 7.292 6.408 225 HB2 GLU 31 2HB GLU 31 3.829 5.026 7.107 226 HB3 GLU 31 1HB GLU 31 5.297 4.760 6.171 227 HG2 GLU 31 2HG GLU 31 6.691 5.507 7.950 228 HG3 GLU 31 1HG GLU 31 5.336 6.206 8.823 229 H LEU 32 H LEU 32 2.563 5.900 5.434 230 HA LEU 32 HA LEU 32 3.167 5.584 2.710 231 HB2 LEU 32 2HB LEU 32 1.280 4.475 3.575 232 HB3 LEU 32 1HB LEU 32 0.579 5.949 4.221 233 HG LEU 32 HG LEU 32 0.276 6.746 1.837 234 HD11 LEU 32 1HD1 LEU 32 1.956 5.452 0.721 235 HD12 LEU 32 2HD1 LEU 32 0.391 4.918 0.109 236 HD13 LEU 32 3HD1 LEU 32 1.253 3.941 1.299 237 HD21 LEU 32 3HD2 LEU 32 -1.672 5.403 1.427 238 HD22 LEU 32 1HD2 LEU 32 -1.504 5.562 3.176 239 HD23 LEU 32 2HD2 LEU 32 -1.017 4.071 2.375 240 H GLY 33 H GLY 33 1.539 8.275 4.386 241 HA2 GLY 33 2HA GLY 33 0.897 9.880 2.245 242 HA3 GLY 33 1HA GLY 33 1.393 10.511 3.813 243 H THR 34 H THR 34 4.021 9.631 3.913 244 HA THR 34 HA THR 34 5.370 11.621 2.453 245 HB THR 34 HB THR 34 6.615 9.096 3.555 246 HG1 THR 34 1HG THR 34 5.278 11.098 4.796 247 HG21 THR 34 3HG2 THR 34 8.105 10.523 2.225 248 HG22 THR 34 1HG2 THR 34 8.539 10.613 3.931 249 HG23 THR 34 2HG2 THR 34 7.635 11.928 3.180 250 H VAL 35 H VAL 35 5.111 8.079 1.899 251 HA VAL 35 HA VAL 35 6.707 7.978 -0.404 252 HB VAL 35 HB VAL 35 4.330 6.254 0.363 253 HG11 VAL 35 1HG1 VAL 35 4.829 5.773 -1.904 254 HG12 VAL 35 2HG1 VAL 35 5.719 4.549 -0.998 255 HG13 VAL 35 3HG1 VAL 35 6.565 5.952 -1.650 256 HG21 VAL 35 3HG2 VAL 35 5.892 6.163 2.157 257 HG22 VAL 35 1HG2 VAL 35 7.272 6.161 1.059 258 HG23 VAL 35 2HG2 VAL 35 6.235 4.739 1.175 259 H MET 36 H MET 36 3.326 8.770 0.076 260 HA MET 36 HA MET 36 2.603 8.675 -2.706 261 HB2 MET 36 2HB MET 36 1.302 10.075 -0.364 262 HB3 MET 36 1HB MET 36 0.596 9.986 -1.977 263 HG2 MET 36 2HG MET 36 1.401 7.572 -0.331 264 HG3 MET 36 1HG MET 36 -0.240 8.195 -0.441 265 HE1 MET 36 3HE MET 36 -1.861 6.756 -2.011 266 HE2 MET 36 1HE MET 36 -1.628 7.295 -3.681 267 HE3 MET 36 2HE MET 36 -1.565 8.459 -2.359 268 H ARG 37 H ARG 37 3.462 11.350 -0.546 269 HA ARG 37 HA ARG 37 3.271 13.384 -2.534 270 HB2 ARG 37 2HB ARG 37 3.212 13.849 -0.110 271 HB3 ARG 37 1HB ARG 37 4.925 13.427 -0.012 272 HG2 ARG 37 2HG ARG 37 5.527 15.221 -1.515 273 HG3 ARG 37 1HG ARG 37 3.833 15.559 -1.872 274 HD2 ARG 37 2HD ARG 37 3.440 16.218 0.430 275 HD3 ARG 37 1HD ARG 37 5.092 15.790 0.858 276 HE ARG 37 HE ARG 37 5.843 17.754 -0.195 277 HH11 ARG 37 1HH2 ARG 37 2.478 17.171 -0.760 278 HH12 ARG 37 2HH2 ARG 37 2.178 18.733 -1.442 279 HH21 ARG 37 1HH1 ARG 37 5.460 19.798 -1.101 280 HH22 ARG 37 2HH1 ARG 37 3.869 20.224 -1.632 281 H SER 38 H SER 38 6.048 11.612 -1.199 282 HA SER 38 HA SER 38 8.106 12.788 -2.625 283 HB2 SER 38 2HB SER 38 9.304 10.635 -2.384 284 HB3 SER 38 1HB SER 38 8.510 11.119 -0.887 285 HG SER 38 HG SER 38 7.717 9.176 -2.786 286 H LEU 39 H LEU 39 5.614 10.652 -3.782 287 HA LEU 39 HA LEU 39 6.998 10.017 -6.256 288 HB2 LEU 39 2HB LEU 39 4.220 9.467 -5.220 289 HB3 LEU 39 1HB LEU 39 4.761 8.974 -6.823 290 HG LEU 39 HG LEU 39 6.325 8.254 -4.335 291 HD11 LEU 39 1HD1 LEU 39 4.145 6.613 -5.662 292 HD12 LEU 39 2HD1 LEU 39 3.994 7.416 -4.102 293 HD13 LEU 39 3HD1 LEU 39 5.148 6.101 -4.306 294 HD21 LEU 39 3HD2 LEU 39 6.904 6.276 -5.918 295 HD22 LEU 39 1HD2 LEU 39 7.621 7.840 -6.284 296 HD23 LEU 39 2HD2 LEU 39 6.225 7.274 -7.200 297 H GLY 40 H GLY 40 5.202 12.634 -5.087 298 HA2 GLY 40 2HA GLY 40 4.995 14.656 -6.321 299 HA3 GLY 40 1HA GLY 40 4.974 13.728 -7.813 300 H GLN 41 H GLN 41 3.009 12.564 -5.224 301 HA GLN 41 HA GLN 41 0.612 13.109 -6.782 302 HB2 GLN 41 2HB GLN 41 0.980 11.684 -4.138 303 HB3 GLN 41 1HB GLN 41 -0.507 11.741 -5.071 304 HG2 GLN 41 2HG GLN 41 2.116 10.567 -6.034 305 HG3 GLN 41 1HG GLN 41 0.726 9.636 -5.485 306 HE21 GLN 41 1HE2 GLN 41 2.183 10.252 -8.280 307 HE22 GLN 41 2HE2 GLN 41 0.853 10.448 -9.315 308 H ASN 42 H ASN 42 -0.621 14.828 -6.540 309 HA ASN 42 HA ASN 42 -0.190 17.021 -5.033 310 HB2 ASN 42 2HB ASN 42 -2.648 17.499 -5.233 311 HB3 ASN 42 1HB ASN 42 -1.868 17.041 -6.745 312 HD21 ASN 42 1HD2 ASN 42 -4.718 16.588 -5.337 313 HD22 ASN 42 2HD2 ASN 42 -5.036 14.970 -5.738 314 HA PRO 43 HA PRO 43 -0.773 16.370 -0.686 315 HB2 PRO 43 2HB PRO 43 -2.829 18.554 -0.834 316 HB3 PRO 43 1HB PRO 43 -1.459 18.371 0.279 317 HG2 PRO 43 2HG PRO 43 -1.421 20.069 -1.825 318 HG3 PRO 43 1HG PRO 43 0.035 19.281 -1.195 319 HD2 PRO 43 2HD PRO 43 -1.378 18.788 -3.749 320 HD3 PRO 43 1HD PRO 43 0.272 18.337 -3.266 321 H THR 44 H THR 44 -1.867 14.643 0.030 322 HA THR 44 HA THR 44 -4.785 14.604 -0.044 323 HB THR 44 HB THR 44 -4.126 13.538 -2.173 324 HG1 THR 44 1HG THR 44 -5.896 12.784 -0.740 325 HG21 THR 44 3HG2 THR 44 -1.903 12.705 -1.234 326 HG22 THR 44 1HG2 THR 44 -2.789 11.568 -2.248 327 HG23 THR 44 2HG2 THR 44 -2.820 11.392 -0.494 328 H GLU 45 H GLU 45 -2.324 14.581 1.813 329 HA GLU 45 HA GLU 45 -2.140 12.201 3.245 330 HB2 GLU 45 2HB GLU 45 -1.387 13.603 5.129 331 HB3 GLU 45 1HB GLU 45 -0.667 14.143 3.614 332 HG2 GLU 45 2HG GLU 45 -2.428 15.887 3.419 333 HG3 GLU 45 1HG GLU 45 -3.087 15.371 4.970 334 H ALA 46 H ALA 46 -4.757 14.384 2.972 335 HA ALA 46 HA ALA 46 -6.069 13.705 5.455 336 HB1 ALA 46 1HB ALA 46 -6.452 15.859 4.258 337 HB2 ALA 46 2HB ALA 46 -7.944 14.973 4.571 338 HB3 ALA 46 3HB ALA 46 -7.234 14.962 2.957 339 H GLU 47 H GLU 47 -6.303 12.737 2.075 340 HA GLU 47 HA GLU 47 -8.545 11.071 2.198 341 HB2 GLU 47 2HB GLU 47 -7.353 11.787 0.112 342 HB3 GLU 47 1HB GLU 47 -6.051 10.673 0.518 343 HG2 GLU 47 2HG GLU 47 -7.484 9.542 -1.041 344 HG3 GLU 47 1HG GLU 47 -7.773 8.815 0.536 345 H LEU 48 H LEU 48 -5.117 10.385 2.802 346 HA LEU 48 HA LEU 48 -5.355 7.614 3.298 347 HB2 LEU 48 2HB LEU 48 -3.379 9.726 4.131 348 HB3 LEU 48 1HB LEU 48 -3.220 8.067 4.702 349 HG LEU 48 HG LEU 48 -3.013 7.220 2.471 350 HD11 LEU 48 1HD1 LEU 48 -3.062 8.883 0.530 351 HD12 LEU 48 2HD1 LEU 48 -3.809 10.019 1.648 352 HD13 LEU 48 3HD1 LEU 48 -4.624 8.506 1.256 353 HD21 LEU 48 3HD2 LEU 48 -1.416 9.756 2.912 354 HD22 LEU 48 1HD2 LEU 48 -1.072 8.613 1.623 355 HD23 LEU 48 2HD2 LEU 48 -0.938 8.105 3.303 356 H GLN 49 H GLN 49 -5.213 10.371 5.559 357 HA GLN 49 HA GLN 49 -5.505 9.079 7.971 358 HB2 GLN 49 2HB GLN 49 -6.692 11.689 7.024 359 HB3 GLN 49 1HB GLN 49 -6.818 11.139 8.695 360 HG2 GLN 49 2HG GLN 49 -4.455 11.146 8.981 361 HG3 GLN 49 1HG GLN 49 -4.170 11.368 7.255 362 HE21 GLN 49 1HE2 GLN 49 -2.902 13.265 8.573 363 HE22 GLN 49 2HE2 GLN 49 -3.760 14.729 8.654 364 H ASP 50 H ASP 50 -8.079 9.922 5.693 365 HA ASP 50 HA ASP 50 -10.169 8.849 7.381 366 HB2 ASP 50 2HB ASP 50 -10.616 10.730 5.895 367 HB3 ASP 50 1HB ASP 50 -10.199 9.744 4.496 368 H MET 51 H MET 51 -8.440 7.788 4.451 369 HA MET 51 HA MET 51 -10.026 5.513 3.921 370 HB2 MET 51 2HB MET 51 -7.201 6.291 3.246 371 HB3 MET 51 1HB MET 51 -7.833 4.717 2.780 372 HG2 MET 51 2HG MET 51 -9.196 7.334 2.103 373 HG3 MET 51 1HG MET 51 -8.081 6.506 1.018 374 HE1 MET 51 3HE MET 51 -12.321 6.098 0.717 375 HE2 MET 51 1HE MET 51 -11.100 7.367 0.565 376 HE3 MET 51 2HE MET 51 -11.678 6.884 2.156 377 H ILE 52 H ILE 52 -6.936 5.808 5.700 378 HA ILE 52 HA ILE 52 -6.808 3.073 6.425 379 HB ILE 52 HB ILE 52 -5.547 5.537 7.642 380 HG12 ILE 52 2HG1 ILE 52 -4.462 3.288 5.911 381 HG13 ILE 52 1HG1 ILE 52 -4.845 4.912 5.346 382 HG21 ILE 52 1HG2 ILE 52 -5.660 3.895 9.412 383 HG22 ILE 52 2HG2 ILE 52 -4.022 3.847 8.774 384 HG23 ILE 52 3HG2 ILE 52 -5.180 2.602 8.316 385 HD11 ILE 52 3HD1 ILE 52 -2.482 4.879 5.750 386 HD12 ILE 52 1HD1 ILE 52 -2.698 4.100 7.320 387 HD13 ILE 52 2HD1 ILE 52 -3.203 5.776 7.089 388 H ASN 53 H ASN 53 -8.089 5.934 8.074 389 HA ASN 53 HA ASN 53 -8.746 4.930 10.542 390 HB2 ASN 53 2HB ASN 53 -9.127 7.243 10.005 391 HB3 ASN 53 1HB ASN 53 -10.319 6.816 8.781 392 HD21 ASN 53 1HD2 ASN 53 -12.307 7.476 9.621 393 HD22 ASN 53 2HD2 ASN 53 -12.856 7.123 11.188 394 H GLU 54 H GLU 54 -9.984 3.895 7.519 395 HA GLU 54 HA GLU 54 -12.313 2.587 8.790 396 HB2 GLU 54 2HB GLU 54 -11.636 3.115 5.889 397 HB3 GLU 54 1HB GLU 54 -13.042 2.197 6.428 398 HG2 GLU 54 2HG GLU 54 -12.441 5.057 7.239 399 HG3 GLU 54 1HG GLU 54 -13.573 4.595 5.974 400 H VAL 55 H VAL 55 -9.755 1.807 6.394 401 HA VAL 55 HA VAL 55 -10.177 -1.044 6.870 402 HB VAL 55 HB VAL 55 -8.616 -1.381 5.028 403 HG11 VAL 55 1HG1 VAL 55 -9.927 -0.288 3.272 404 HG12 VAL 55 2HG1 VAL 55 -10.583 0.853 4.445 405 HG13 VAL 55 3HG1 VAL 55 -11.000 -0.856 4.552 406 HG21 VAL 55 3HG2 VAL 55 -7.821 0.746 3.829 407 HG22 VAL 55 1HG2 VAL 55 -6.996 0.344 5.334 408 HG23 VAL 55 2HG2 VAL 55 -8.228 1.602 5.313 409 H ASP 56 H ASP 56 -9.084 0.473 9.104 410 HA ASP 56 HA ASP 56 -6.251 -0.225 9.218 411 HB2 ASP 56 2HB ASP 56 -6.945 1.855 10.244 412 HB3 ASP 56 1HB ASP 56 -8.097 1.009 11.274 413 H ALA 57 H ALA 57 -9.285 -1.563 10.214 414 HA ALA 57 HA ALA 57 -9.767 -3.692 10.909 415 HB1 ALA 57 1HB ALA 57 -6.925 -4.277 11.655 416 HB2 ALA 57 2HB ALA 57 -7.343 -4.140 9.949 417 HB3 ALA 57 3HB ALA 57 -8.148 -5.341 10.958 418 H ASP 58 H ASP 58 -7.041 -2.495 12.897 419 HA ASP 58 HA ASP 58 -8.594 -3.099 15.317 420 HB2 ASP 58 2HB ASP 58 -5.721 -2.439 14.755 421 HB3 ASP 58 1HB ASP 58 -6.361 -2.462 16.398 422 H GLY 59 H GLY 59 -8.146 -0.490 13.278 423 HA2 GLY 59 2HA GLY 59 -8.722 1.743 13.494 424 HA3 GLY 59 1HA GLY 59 -9.329 1.368 15.106 425 H ASN 60 H ASN 60 -6.139 0.356 14.485 426 HA ASN 60 HA ASN 60 -5.045 2.072 16.503 427 HB2 ASN 60 2HB ASN 60 -3.842 0.044 14.610 428 HB3 ASN 60 1HB ASN 60 -2.897 0.917 15.814 429 HD21 ASN 60 1HD2 ASN 60 -3.335 -1.989 15.806 430 HD22 ASN 60 2HD2 ASN 60 -4.177 -2.359 17.231 431 H GLY 61 H GLY 61 -5.313 2.143 13.063 432 HA2 GLY 61 2HA GLY 61 -5.042 4.165 11.810 433 HA3 GLY 61 1HA GLY 61 -3.846 4.703 12.984 434 H THR 62 H THR 62 -3.203 1.525 12.475 435 HA THR 62 HA THR 62 -1.322 2.078 10.248 436 HB THR 62 HB THR 62 0.370 0.861 11.329 437 HG1 THR 62 1HG THR 62 -0.461 -0.173 13.467 438 HG21 THR 62 3HG2 THR 62 0.614 1.898 13.490 439 HG22 THR 62 1HG2 THR 62 -1.128 2.141 13.628 440 HG23 THR 62 2HG2 THR 62 -0.201 3.053 12.435 441 H ILE 63 H ILE 63 -0.782 0.302 8.892 442 HA ILE 63 HA ILE 63 -2.938 -1.719 8.702 443 HB ILE 63 HB ILE 63 -0.915 -1.035 6.568 444 HG12 ILE 63 2HG1 ILE 63 -2.055 1.039 7.095 445 HG13 ILE 63 1HG1 ILE 63 -2.752 0.402 5.610 446 HG21 ILE 63 1HG2 ILE 63 -2.700 -1.954 5.101 447 HG22 ILE 63 2HG2 ILE 63 -3.658 -2.322 6.534 448 HG23 ILE 63 3HG2 ILE 63 -2.117 -3.139 6.271 449 HD11 ILE 63 3HD1 ILE 63 -4.470 -0.751 7.238 450 HD12 ILE 63 1HD1 ILE 63 -4.660 0.946 6.815 451 HD13 ILE 63 2HD1 ILE 63 -3.938 0.500 8.360 452 H ASP 64 H ASP 64 -2.490 -3.692 9.341 453 HA ASP 64 HA ASP 64 0.218 -4.506 9.939 454 HB2 ASP 64 2HB ASP 64 -2.439 -5.922 10.195 455 HB3 ASP 64 1HB ASP 64 -0.902 -6.602 10.724 456 H PHE 65 H PHE 65 0.756 -6.868 9.372 457 HA PHE 65 HA PHE 65 1.414 -7.075 6.699 458 HB2 PHE 65 2HB PHE 65 1.355 -8.899 9.033 459 HB3 PHE 65 1HB PHE 65 1.372 -9.708 7.470 460 HD1 PHE 65 1HD PHE 65 2.941 -6.558 8.746 461 HD2 PHE 65 2HD PHE 65 3.544 -10.442 7.016 462 HE1 PHE 65 1HE PHE 65 5.375 -6.125 8.620 463 HE2 PHE 65 2HE PHE 65 5.978 -10.007 6.881 464 HZ PHE 65 HZ PHE 65 6.896 -7.846 7.684 465 HA PRO 66 HA PRO 66 -2.119 -10.294 5.859 466 HB2 PRO 66 2HB PRO 66 -4.227 -10.189 7.705 467 HB3 PRO 66 1HB PRO 66 -2.936 -11.403 7.688 468 HG2 PRO 66 2HG PRO 66 -3.190 -8.933 9.338 469 HG3 PRO 66 1HG PRO 66 -2.572 -10.534 9.788 470 HD2 PRO 66 2HD PRO 66 -0.888 -8.492 9.296 471 HD3 PRO 66 1HD PRO 66 -0.486 -10.157 8.811 472 H GLU 67 H GLU 67 -3.271 -7.407 7.564 473 HA GLU 67 HA GLU 67 -5.568 -6.857 6.161 474 HB2 GLU 67 2HB GLU 67 -3.492 -4.899 7.173 475 HB3 GLU 67 1HB GLU 67 -5.141 -4.473 6.707 476 HG2 GLU 67 2HG GLU 67 -4.429 -6.489 8.855 477 HG3 GLU 67 1HG GLU 67 -4.896 -4.819 9.166 478 H PHE 68 H PHE 68 -2.304 -5.682 5.368 479 HA PHE 68 HA PHE 68 -3.000 -4.417 2.958 480 HB2 PHE 68 2HB PHE 68 -0.848 -4.145 4.233 481 HB3 PHE 68 1HB PHE 68 -0.348 -5.703 3.578 482 HD1 PHE 68 1HD PHE 68 -0.353 -6.001 1.026 483 HD2 PHE 68 2HD PHE 68 -0.636 -2.172 2.944 484 HE1 PHE 68 1HE PHE 68 0.364 -4.899 -1.075 485 HE2 PHE 68 2HE PHE 68 0.077 -1.067 0.841 486 HZ PHE 68 HZ PHE 68 0.579 -2.432 -1.167 487 H LEU 69 H LEU 69 -1.756 -7.666 3.633 488 HA LEU 69 HA LEU 69 -1.519 -8.593 1.027 489 HB2 LEU 69 2HB LEU 69 -0.732 -9.899 2.894 490 HB3 LEU 69 1HB LEU 69 -2.364 -10.062 3.538 491 HG LEU 69 HG LEU 69 -1.426 -12.079 2.294 492 HD11 LEU 69 1HD1 LEU 69 -3.542 -12.749 1.920 493 HD12 LEU 69 2HD1 LEU 69 -3.825 -11.507 0.702 494 HD13 LEU 69 3HD1 LEU 69 -4.041 -11.136 2.415 495 HD21 LEU 69 3HD2 LEU 69 -2.014 -10.488 -0.202 496 HD22 LEU 69 1HD2 LEU 69 -1.194 -12.034 -0.062 497 HD23 LEU 69 2HD2 LEU 69 -0.409 -10.565 0.504 498 H THR 70 H THR 70 -4.431 -8.306 3.038 499 HA THR 70 HA THR 70 -6.088 -9.671 1.114 500 HB THR 70 HB THR 70 -6.765 -8.024 3.548 501 HG1 THR 70 1HG THR 70 -5.616 -9.967 3.918 502 HG21 THR 70 3HG2 THR 70 -8.446 -9.693 1.675 503 HG22 THR 70 1HG2 THR 70 -8.701 -8.016 2.164 504 HG23 THR 70 2HG2 THR 70 -8.954 -9.322 3.323 505 H MET 71 H MET 71 -6.443 -6.368 2.409 506 HA MET 71 HA MET 71 -8.161 -5.435 0.465 507 HB2 MET 71 2HB MET 71 -7.639 -3.215 1.165 508 HB3 MET 71 1HB MET 71 -7.508 -4.247 2.587 509 HG2 MET 71 2HG MET 71 -5.066 -4.376 2.241 510 HG3 MET 71 1HG MET 71 -5.195 -3.279 0.874 511 HE1 MET 71 3HE MET 71 -5.711 -2.441 5.328 512 HE2 MET 71 1HE MET 71 -4.461 -3.464 4.610 513 HE3 MET 71 2HE MET 71 -6.158 -3.913 4.470 514 H MET 72 H MET 72 -4.841 -6.206 0.041 515 HA MET 72 HA MET 72 -4.578 -4.505 -2.336 516 HB2 MET 72 2HB MET 72 -2.303 -4.962 -2.312 517 HB3 MET 72 1HB MET 72 -2.708 -4.963 -0.606 518 HG2 MET 72 2HG MET 72 -1.534 -6.950 -0.722 519 HG3 MET 72 1HG MET 72 -3.134 -7.558 -1.090 520 HE1 MET 72 3HE MET 72 -2.021 -9.774 -2.421 521 HE2 MET 72 1HE MET 72 -0.664 -9.022 -1.571 522 HE3 MET 72 2HE MET 72 -0.496 -9.501 -3.258 523 H ALA 73 H ALA 73 -5.248 -7.801 -1.464 524 HA ALA 73 HA ALA 73 -4.578 -9.163 -3.813 525 HB1 ALA 73 1HB ALA 73 -6.957 -9.721 -2.030 526 HB2 ALA 73 2HB ALA 73 -5.303 -10.209 -1.659 527 HB3 ALA 73 3HB ALA 73 -6.121 -10.870 -3.073 528 H ARG 74 H ARG 74 -7.491 -7.337 -3.000 529 HA ARG 74 HA ARG 74 -9.169 -8.085 -5.079 530 HB2 ARG 74 2HB ARG 74 -8.803 -5.344 -3.842 531 HB3 ARG 74 1HB ARG 74 -10.187 -5.832 -4.823 532 HG2 ARG 74 2HG ARG 74 -10.748 -7.591 -3.212 533 HG3 ARG 74 1HG ARG 74 -9.321 -7.200 -2.253 534 HD2 ARG 74 2HD ARG 74 -11.255 -6.148 -1.227 535 HD3 ARG 74 1HD ARG 74 -10.232 -4.892 -1.921 536 HE ARG 74 HE ARG 74 -12.181 -5.696 -3.821 537 HH11 ARG 74 1HH2 ARG 74 -11.812 -4.004 -0.820 538 HH12 ARG 74 2HH2 ARG 74 -13.157 -2.948 -1.094 539 HH21 ARG 74 1HH1 ARG 74 -13.946 -4.312 -4.178 540 HH22 ARG 74 2HH1 ARG 74 -14.361 -3.121 -2.992 541 H LYS 75 H LYS 75 -7.130 -5.150 -5.115 542 HA LYS 75 HA LYS 75 -6.345 -3.903 -6.890 543 HB2 LYS 75 2HB LYS 75 -4.847 -6.031 -6.625 544 HB3 LYS 75 1HB LYS 75 -5.560 -6.515 -8.158 545 HG2 LYS 75 2HG LYS 75 -4.802 -4.431 -9.207 546 HG3 LYS 75 1HG LYS 75 -4.154 -3.868 -7.669 547 HD2 LYS 75 2HD LYS 75 -3.241 -6.459 -8.935 548 HD3 LYS 75 1HD LYS 75 -2.477 -4.918 -9.315 549 HE2 LYS 75 2HE LYS 75 -2.156 -4.620 -6.784 550 HE3 LYS 75 1HE LYS 75 -2.598 -6.322 -6.634 551 HZ1 LYS 75 3HZ LYS 75 -0.137 -5.195 -7.439 552 HZ2 LYS 75 1HZ LYS 75 -0.748 -6.180 -8.677 553 HZ3 LYS 75 2HZ LYS 75 -0.518 -6.819 -7.119 554 H MET 76 H MET 76 -9.104 -4.509 -7.159 555 HA MET 76 HA MET 76 -10.790 -4.385 -8.695 556 HB2 MET 76 2HB MET 76 -9.020 -2.625 -9.552 557 HB3 MET 76 1HB MET 76 -8.796 -3.773 -10.867 558 HG2 MET 76 2HG MET 76 -11.169 -3.644 -11.436 559 HG3 MET 76 1HG MET 76 -11.480 -2.613 -10.037 560 HE1 MET 76 3HE MET 76 -12.477 -1.799 -12.750 561 HE2 MET 76 1HE MET 76 -11.190 -2.582 -13.676 562 HE3 MET 76 2HE MET 76 -11.439 -0.843 -13.806 563 H LYS 77 H LYS 77 -11.516 -6.407 -8.846 564 HA LYS 77 HA LYS 77 -10.165 -8.546 -10.161 565 HB2 LYS 77 2HB LYS 77 -13.017 -8.180 -9.216 566 HB3 LYS 77 1HB LYS 77 -12.422 -9.681 -9.923 567 HG2 LYS 77 2HG LYS 77 -10.762 -9.923 -8.167 568 HG3 LYS 77 1HG LYS 77 -11.156 -8.333 -7.520 569 HD2 LYS 77 2HD LYS 77 -12.301 -9.845 -6.097 570 HD3 LYS 77 1HD LYS 77 -13.545 -9.237 -7.185 571 HE2 LYS 77 2HE LYS 77 -13.506 -11.244 -8.495 572 HE3 LYS 77 1HE LYS 77 -12.033 -11.809 -7.710 573 HZ1 LYS 77 3HZ LYS 77 -13.954 -12.936 -6.804 574 HZ2 LYS 77 1HZ LYS 77 -14.682 -11.456 -6.409 575 HZ3 LYS 77 2HZ LYS 77 -13.261 -11.939 -5.615 576 H1 GLY 45 1HT GLY 45 -13.238 12.996 -2.541 577 H2 GLY 45 2HT GLY 45 -13.529 12.205 -4.017 578 H3 GLY 45 3HT GLY 45 -13.068 13.841 -4.003 579 HA2 GLY 45 2HA GLY 45 -10.956 13.251 -4.164 580 HA3 GLY 45 1HA GLY 45 -11.108 12.444 -2.602 581 H THR 46 H THR 46 -9.511 10.930 -3.643 582 HA THR 46 HA THR 46 -10.549 9.169 -5.717 583 HB THR 46 HB THR 46 -8.402 8.025 -5.548 584 HG1 THR 46 1HG THR 46 -7.718 9.850 -3.510 585 HG21 THR 46 3HG2 THR 46 -8.544 10.162 -6.831 586 HG22 THR 46 1HG2 THR 46 -6.935 9.868 -6.168 587 HG23 THR 46 2HG2 THR 46 -8.014 11.027 -5.388 588 H GLY 47 H GLY 47 -10.466 6.784 -5.378 589 HA2 GLY 47 2HA GLY 47 -11.918 6.102 -2.939 590 HA3 GLY 47 1HA GLY 47 -11.700 5.074 -4.350 591 H ALA 48 H ALA 48 -11.406 4.025 -1.855 592 HA ALA 48 HA ALA 48 -8.829 4.055 -0.740 593 HB1 ALA 48 1HB ALA 48 -10.533 1.590 -0.638 594 HB2 ALA 48 2HB ALA 48 -11.124 3.075 0.101 595 HB3 ALA 48 3HB ALA 48 -9.606 2.365 0.648 596 H ALA 49 H ALA 49 -10.262 1.711 -3.035 597 HA ALA 49 HA ALA 49 -7.947 0.100 -3.272 598 HB1 ALA 49 1HB ALA 49 -10.137 -0.724 -3.936 599 HB2 ALA 49 2HB ALA 49 -9.052 -0.765 -5.326 600 HB3 ALA 49 3HB ALA 49 -10.256 0.516 -5.183 601 H LEU 50 H LEU 50 -9.147 2.818 -5.203 602 HA LEU 50 HA LEU 50 -7.165 2.738 -7.212 603 HB2 LEU 50 2HB LEU 50 -9.225 4.021 -7.479 604 HB3 LEU 50 1HB LEU 50 -8.779 5.063 -6.131 605 HG LEU 50 HG LEU 50 -6.834 5.894 -7.371 606 HD11 LEU 50 1HD1 LEU 50 -7.676 3.762 -9.325 607 HD12 LEU 50 2HD1 LEU 50 -6.065 4.132 -8.711 608 HD13 LEU 50 3HD1 LEU 50 -6.818 5.191 -9.901 609 HD21 LEU 50 3HD2 LEU 50 -8.026 7.115 -9.124 610 HD22 LEU 50 1HD2 LEU 50 -9.060 6.968 -7.704 611 HD23 LEU 50 2HD2 LEU 50 -9.328 5.927 -9.101 612 H SER 51 H SER 51 -7.343 4.406 -4.105 613 HA SER 51 HA SER 51 -5.015 5.960 -4.304 614 HB2 SER 51 2HB SER 51 -6.490 6.419 -2.505 615 HB3 SER 51 1HB SER 51 -6.493 4.739 -1.976 616 HG SER 51 HG SER 51 -4.788 5.154 -0.839 617 H TRP 52 H TRP 52 -5.518 2.696 -3.018 618 HA TRP 52 HA TRP 52 -2.803 2.247 -2.313 619 HB2 TRP 52 2HB TRP 52 -5.217 0.495 -2.716 620 HB3 TRP 52 1HB TRP 52 -3.634 -0.229 -2.442 621 HD1 TRP 52 HD TRP 52 -6.543 0.781 -0.583 622 HE1 TRP 52 1HE TRP 52 -6.001 1.235 1.897 623 HE3 TRP 52 3HE TRP 52 -1.446 1.109 -0.829 624 HZ2 TRP 52 2HZ TRP 52 -3.713 1.678 3.556 625 HZ3 TRP 52 3HZ TRP 52 -0.116 1.547 1.213 626 HH2 TRP 52 HH TRP 52 -1.235 1.837 3.403 627 H GLN 53 H GLN 53 -4.740 1.324 -5.156 628 HA GLN 53 HA GLN 53 -2.752 -0.120 -6.510 629 HB2 GLN 53 2HB GLN 53 -5.151 1.436 -7.479 630 HB3 GLN 53 1HB GLN 53 -4.108 0.536 -8.580 631 HG2 GLN 53 2HG GLN 53 -4.543 -1.535 -7.372 632 HG3 GLN 53 1HG GLN 53 -5.476 -0.669 -6.156 633 HE21 GLN 53 1HE2 GLN 53 -5.819 -2.515 -8.933 634 HE22 GLN 53 2HE2 GLN 53 -7.351 -1.974 -9.421 635 H ALA 54 H ALA 54 -3.559 3.353 -6.673 636 HA ALA 54 HA ALA 54 -1.673 4.010 -8.678 637 HB1 ALA 54 1HB ALA 54 -1.911 6.350 -7.730 638 HB2 ALA 54 2HB ALA 54 -2.976 5.656 -6.507 639 HB3 ALA 54 3HB ALA 54 -3.418 5.571 -8.214 640 H ALA 55 H ALA 55 -1.438 3.955 -5.138 641 HA ALA 55 HA ALA 55 1.181 5.068 -5.001 642 HB1 ALA 55 1HB ALA 55 -0.606 4.796 -3.138 643 HB2 ALA 55 2HB ALA 55 1.093 4.584 -2.710 644 HB3 ALA 55 3HB ALA 55 0.060 3.176 -2.947 645 H ILE 56 H ILE 56 -0.031 1.729 -4.930 646 HA ILE 56 HA ILE 56 2.482 0.462 -4.642 647 HB ILE 56 HB ILE 56 -0.144 -0.505 -5.797 648 HG12 ILE 56 2HG1 ILE 56 1.183 -1.155 -3.153 649 HG13 ILE 56 1HG1 ILE 56 0.027 0.162 -3.341 650 HG21 ILE 56 1HG2 ILE 56 0.899 -2.797 -5.306 651 HG22 ILE 56 2HG2 ILE 56 2.450 -1.958 -5.237 652 HG23 ILE 56 3HG2 ILE 56 1.507 -1.951 -6.729 653 HD11 ILE 56 3HD1 ILE 56 -1.625 -1.489 -4.251 654 HD12 ILE 56 1HD1 ILE 56 -1.170 -1.810 -2.580 655 HD13 ILE 56 2HD1 ILE 56 -0.479 -2.778 -3.882 656 H ASP 57 H ASP 57 0.533 1.270 -7.492 657 HA ASP 57 HA ASP 57 2.229 0.088 -9.420 658 HB2 ASP 57 2HB ASP 57 -0.120 0.768 -9.834 659 HB3 ASP 57 1HB ASP 57 0.372 2.456 -9.743 660 H ALA 58 H ALA 58 2.036 3.410 -8.162 661 HA ALA 58 HA ALA 58 4.126 4.434 -9.801 662 HB1 ALA 58 1HB ALA 58 2.914 5.405 -7.209 663 HB2 ALA 58 2HB ALA 58 2.551 5.967 -8.838 664 HB3 ALA 58 3HB ALA 58 4.124 6.313 -8.119 665 H ALA 59 H ALA 59 4.022 3.056 -6.539 666 HA ALA 59 HA ALA 59 6.730 3.590 -5.859 667 HB1 ALA 59 1HB ALA 59 5.143 3.037 -4.123 668 HB2 ALA 59 2HB ALA 59 6.373 1.773 -4.160 669 HB3 ALA 59 3HB ALA 59 4.789 1.483 -4.878 670 H ARG 60 H ARG 60 5.106 0.860 -7.400 671 HA ARG 60 HA ARG 60 7.361 -0.852 -7.560 672 HB2 ARG 60 2HB ARG 60 4.777 -0.683 -9.112 673 HB3 ARG 60 1HB ARG 60 5.973 -1.948 -9.394 674 HG2 ARG 60 2HG ARG 60 5.060 -1.433 -6.572 675 HG3 ARG 60 1HG ARG 60 3.994 -2.323 -7.656 676 HD2 ARG 60 2HD ARG 60 5.671 -4.004 -8.054 677 HD3 ARG 60 1HD ARG 60 6.900 -3.062 -7.218 678 HE ARG 60 HE ARG 60 6.083 -3.890 -5.222 679 HH11 ARG 60 1HH2 ARG 60 3.688 -4.216 -7.711 680 HH12 ARG 60 2HH2 ARG 60 2.640 -5.202 -6.747 681 HH21 ARG 60 1HH1 ARG 60 4.725 -5.164 -3.979 682 HH22 ARG 60 2HH1 ARG 60 3.224 -5.727 -4.629 683 H GLN 61 H GLN 61 6.024 1.593 -9.733 684 HA GLN 61 HA GLN 61 7.743 1.059 -11.926 685 HB2 GLN 61 2HB GLN 61 5.657 2.403 -12.096 686 HB3 GLN 61 1HB GLN 61 6.429 3.681 -11.156 687 HG2 GLN 61 2HG GLN 61 8.177 3.908 -12.874 688 HG3 GLN 61 1HG GLN 61 7.442 2.608 -13.807 689 HE21 GLN 61 1HE2 GLN 61 6.616 3.713 -15.623 690 HE22 GLN 61 2HE2 GLN 61 5.553 5.031 -15.526 691 H ALA 62 H ALA 62 7.974 3.202 -9.121 692 HA ALA 62 HA ALA 62 10.354 4.536 -9.860 693 HB1 ALA 62 1HB ALA 62 8.778 5.221 -8.023 694 HB2 ALA 62 2HB ALA 62 10.477 5.218 -7.550 695 HB3 ALA 62 3HB ALA 62 9.421 3.897 -7.052 696 H LYS 63 H LYS 63 9.793 1.651 -7.851 697 HA LYS 63 HA LYS 63 12.522 1.134 -7.287 698 HB2 LYS 63 2HB LYS 63 10.633 0.153 -6.007 699 HB3 LYS 63 1HB LYS 63 10.219 -0.831 -7.410 700 HG2 LYS 63 2HG LYS 63 12.421 -1.917 -7.329 701 HG3 LYS 63 1HG LYS 63 12.888 -0.898 -5.966 702 HD2 LYS 63 2HD LYS 63 11.049 -1.850 -4.625 703 HD3 LYS 63 1HD LYS 63 10.590 -2.880 -5.982 704 HE2 LYS 63 2HE LYS 63 12.838 -3.932 -5.918 705 HE3 LYS 63 1HE LYS 63 13.252 -2.928 -4.527 706 HZ1 LYS 63 3HZ LYS 63 10.769 -4.228 -4.116 707 HZ2 LYS 63 1HZ LYS 63 12.187 -4.313 -3.187 708 HZ3 LYS 63 2HZ LYS 63 11.966 -5.371 -4.498 709 H LEU 64 H LEU 64 10.344 0.031 -9.852 710 HA LEU 64 HA LEU 64 12.055 -1.866 -11.021 711 HB2 LEU 64 2HB LEU 64 9.628 -1.625 -11.531 712 HB3 LEU 64 1HB LEU 64 9.989 -0.136 -12.401 713 HG LEU 64 HG LEU 64 11.539 -1.451 -13.887 714 HD11 LEU 64 1HD1 LEU 64 10.912 -4.013 -13.834 715 HD12 LEU 64 2HD1 LEU 64 10.501 -3.680 -12.151 716 HD13 LEU 64 3HD1 LEU 64 12.140 -3.392 -12.734 717 HD21 LEU 64 3HD2 LEU 64 9.658 -2.639 -15.101 718 HD22 LEU 64 1HD2 LEU 64 9.337 -0.948 -14.717 719 HD23 LEU 64 2HD2 LEU 64 8.613 -2.226 -13.742 720 H MET 65 H MET 65 11.614 1.596 -11.732 721 HA MET 65 HA MET 65 13.507 1.672 -13.856 722 HB2 MET 65 2HB MET 65 11.737 3.366 -13.568 723 HB3 MET 65 1HB MET 65 12.529 3.932 -12.096 724 HG2 MET 65 2HG MET 65 14.525 4.546 -13.355 725 HG3 MET 65 1HG MET 65 13.839 3.867 -14.831 726 HE1 MET 65 3HE MET 65 14.041 6.165 -16.271 727 HE2 MET 65 1HE MET 65 15.044 6.476 -14.848 728 HE3 MET 65 2HE MET 65 13.911 7.700 -15.417 729 H GLY 66 H GLY 66 13.747 2.183 -10.372 730 HA2 GLY 66 2HA GLY 66 15.681 1.862 -9.076 731 HA3 GLY 66 1HA GLY 66 16.655 1.918 -10.538 732 H SER 67 H SER 67 14.516 4.470 -10.647 733 HA SER 67 HA SER 67 14.936 6.751 -10.614 734 HB2 SER 67 2HB SER 67 14.114 6.586 -8.402 735 HB3 SER 67 1HB SER 67 15.584 5.805 -7.824 736 HG SER 67 HG SER 67 15.001 8.401 -7.925 737 H ALA 68 H ALA 68 16.667 6.654 -12.160 738 HA ALA 68 HA ALA 68 19.348 6.210 -11.730 739 HB1 ALA 68 1HB ALA 68 19.765 7.655 -13.637 740 HB2 ALA 68 2HB ALA 68 18.185 8.413 -13.448 741 HB3 ALA 68 3HB ALA 68 18.299 6.720 -13.928 Start of MODEL 16 1 H1 ALA 1 1HT ALA 1 -11.061 -13.996 -10.990 2 H2 ALA 1 2HT ALA 1 -12.482 -14.015 -10.059 3 H3 ALA 1 3HT ALA 1 -12.167 -15.272 -11.159 4 HA ALA 1 HA ALA 1 -11.183 -14.859 -8.476 5 HB1 ALA 1 2HB ALA 1 -10.947 -17.363 -8.666 6 HB2 ALA 1 3HB ALA 1 -11.534 -17.237 -10.324 7 HB3 ALA 1 1HB ALA 1 -12.577 -16.769 -8.982 8 H ASP 2 H ASP 2 -9.108 -15.985 -7.904 9 HA ASP 2 HA ASP 2 -7.057 -15.893 -10.001 10 HB2 ASP 2 2HB ASP 2 -7.323 -13.596 -9.063 11 HB3 ASP 2 1HB ASP 2 -6.882 -14.230 -7.483 12 H GLN 3 H GLN 3 -5.530 -17.392 -9.700 13 HA GLN 3 HA GLN 3 -5.696 -19.115 -7.350 14 HB2 GLN 3 2HB GLN 3 -5.508 -20.036 -9.669 15 HB3 GLN 3 1HB GLN 3 -3.898 -19.330 -9.778 16 HG2 GLN 3 2HG GLN 3 -3.678 -21.658 -9.132 17 HG3 GLN 3 1HG GLN 3 -3.237 -20.652 -7.755 18 HE21 GLN 3 1HE2 GLN 3 -5.710 -22.858 -9.015 19 HE22 GLN 3 2HE2 GLN 3 -6.542 -23.039 -7.547 20 H LEU 4 H LEU 4 -4.472 -18.807 -5.611 21 HA LEU 4 HA LEU 4 -2.472 -16.819 -5.440 22 HB2 LEU 4 2HB LEU 4 -3.854 -17.676 -3.545 23 HB3 LEU 4 1HB LEU 4 -2.909 -19.162 -3.575 24 HG LEU 4 HG LEU 4 -1.270 -16.669 -3.466 25 HD11 LEU 4 1HD1 LEU 4 -3.123 -17.448 -1.219 26 HD12 LEU 4 2HD1 LEU 4 -2.955 -15.873 -1.994 27 HD13 LEU 4 3HD1 LEU 4 -1.661 -16.492 -0.969 28 HD21 LEU 4 3HD2 LEU 4 -1.175 -19.010 -1.560 29 HD22 LEU 4 1HD2 LEU 4 0.142 -17.999 -2.144 30 HD23 LEU 4 2HD2 LEU 4 -0.586 -19.195 -3.208 31 H THR 5 H THR 5 -0.180 -17.267 -4.673 32 HA THR 5 HA THR 5 1.087 -19.726 -5.323 33 HB THR 5 HB THR 5 0.667 -18.998 -7.617 34 HG1 THR 5 1HG THR 5 2.580 -19.696 -8.050 35 HG21 THR 5 3HG2 THR 5 1.752 -16.892 -8.418 36 HG22 THR 5 1HG2 THR 5 2.125 -16.491 -6.747 37 HG23 THR 5 2HG2 THR 5 0.447 -16.607 -7.269 38 H GLU 6 H GLU 6 3.527 -19.480 -5.228 39 HA GLU 6 HA GLU 6 4.383 -18.285 -2.913 40 HB2 GLU 6 2HB GLU 6 5.691 -19.916 -4.302 41 HB3 GLU 6 1HB GLU 6 6.049 -18.612 -5.430 42 HG2 GLU 6 2HG GLU 6 7.173 -17.347 -3.658 43 HG3 GLU 6 1HG GLU 6 6.778 -18.602 -2.488 44 H GLU 7 H GLU 7 4.883 -16.918 -6.169 45 HA GLU 7 HA GLU 7 5.988 -14.509 -5.585 46 HB2 GLU 7 2HB GLU 7 5.555 -15.123 -7.872 47 HB3 GLU 7 1HB GLU 7 3.820 -15.169 -7.592 48 HG2 GLU 7 2HG GLU 7 3.733 -12.792 -7.270 49 HG3 GLU 7 1HG GLU 7 5.489 -12.669 -7.312 50 H GLN 8 H GLN 8 2.453 -15.043 -5.744 51 HA GLN 8 HA GLN 8 1.450 -12.654 -5.075 52 HB2 GLN 8 2HB GLN 8 0.277 -14.914 -5.393 53 HB3 GLN 8 1HB GLN 8 0.471 -15.116 -3.658 54 HG2 GLN 8 2HG GLN 8 -1.696 -14.143 -3.980 55 HG3 GLN 8 1HG GLN 8 -0.655 -12.866 -3.359 56 HE21 GLN 8 1HE2 GLN 8 -1.355 -10.983 -4.387 57 HE22 GLN 8 2HE2 GLN 8 -1.585 -10.828 -6.063 58 H ILE 9 H ILE 9 2.251 -15.048 -2.480 59 HA ILE 9 HA ILE 9 1.768 -13.242 -0.403 60 HB ILE 9 HB ILE 9 3.328 -14.786 0.935 61 HG12 ILE 9 2HG1 ILE 9 3.223 -16.334 -1.662 62 HG13 ILE 9 1HG1 ILE 9 4.656 -15.514 -1.050 63 HG21 ILE 9 1HG2 ILE 9 1.074 -16.045 -0.658 64 HG22 ILE 9 2HG2 ILE 9 0.856 -15.047 0.781 65 HG23 ILE 9 3HG2 ILE 9 1.686 -16.599 0.900 66 HD11 ILE 9 3HD1 ILE 9 4.676 -16.916 0.918 67 HD12 ILE 9 1HD1 ILE 9 4.639 -17.918 -0.530 68 HD13 ILE 9 2HD1 ILE 9 3.173 -17.695 0.418 69 H ALA 10 H ALA 10 4.876 -14.035 -1.950 70 HA ALA 10 HA ALA 10 6.480 -12.327 -0.432 71 HB1 ALA 10 1HB ALA 10 7.166 -14.129 -2.136 72 HB2 ALA 10 2HB ALA 10 8.129 -12.651 -2.098 73 HB3 ALA 10 3HB ALA 10 6.920 -12.883 -3.358 74 H GLU 11 H GLU 11 4.502 -11.779 -3.283 75 HA GLU 11 HA GLU 11 5.372 -9.218 -3.999 76 HB2 GLU 11 2HB GLU 11 3.832 -10.748 -5.310 77 HB3 GLU 11 1HB GLU 11 2.537 -10.234 -4.233 78 HG2 GLU 11 2HG GLU 11 2.865 -7.907 -4.881 79 HG3 GLU 11 1HG GLU 11 4.227 -8.360 -5.905 80 H PHE 12 H PHE 12 2.778 -10.206 -1.744 81 HA PHE 12 HA PHE 12 1.922 -7.585 -1.165 82 HB2 PHE 12 2HB PHE 12 0.334 -8.719 0.011 83 HB3 PHE 12 1HB PHE 12 1.158 -10.201 -0.464 84 HD1 PHE 12 2HD PHE 12 1.421 -7.461 2.079 85 HD2 PHE 12 1HD PHE 12 1.913 -11.628 1.237 86 HE1 PHE 12 2HE PHE 12 2.009 -7.861 4.435 87 HE2 PHE 12 1HE PHE 12 2.527 -12.033 3.592 88 HZ PHE 12 HZ PHE 12 2.574 -10.152 5.197 89 H LYS 13 H LYS 13 4.317 -9.701 0.393 90 HA LYS 13 HA LYS 13 4.926 -8.032 2.568 91 HB2 LYS 13 2HB LYS 13 5.654 -10.419 2.268 92 HB3 LYS 13 1HB LYS 13 6.843 -9.855 1.099 93 HG2 LYS 13 2HG LYS 13 8.138 -9.866 3.038 94 HG3 LYS 13 1HG LYS 13 7.552 -8.209 3.060 95 HD2 LYS 13 2HD LYS 13 7.052 -8.874 5.235 96 HD3 LYS 13 1HD LYS 13 5.535 -9.235 4.427 97 HE2 LYS 13 2HE LYS 13 6.114 -11.577 4.239 98 HE3 LYS 13 1HE LYS 13 7.748 -11.269 4.832 99 HZ1 LYS 13 3HZ LYS 13 6.511 -10.274 6.838 100 HZ2 LYS 13 1HZ LYS 13 6.665 -11.957 6.718 101 HZ3 LYS 13 2HZ LYS 13 5.199 -11.205 6.292 102 H GLU 14 H GLU 14 6.366 -8.231 -0.670 103 HA GLU 14 HA GLU 14 8.397 -6.342 -0.355 104 HB2 GLU 14 2HB GLU 14 6.730 -7.111 -2.751 105 HB3 GLU 14 1HB GLU 14 8.086 -5.992 -2.860 106 HG2 GLU 14 2HG GLU 14 9.610 -7.705 -1.999 107 HG3 GLU 14 1HG GLU 14 8.274 -8.824 -1.781 108 H ALA 15 H ALA 15 5.097 -5.847 -1.622 109 HA ALA 15 HA ALA 15 5.239 -3.053 -1.870 110 HB1 ALA 15 1HB ALA 15 2.724 -4.537 -1.151 111 HB2 ALA 15 2HB ALA 15 3.457 -4.674 -2.749 112 HB3 ALA 15 3HB ALA 15 2.901 -3.106 -2.166 113 H PHE 16 H PHE 16 4.116 -5.073 0.829 114 HA PHE 16 HA PHE 16 3.331 -3.014 2.545 115 HB2 PHE 16 2HB PHE 16 2.689 -4.977 3.495 116 HB3 PHE 16 1HB PHE 16 4.009 -5.880 2.781 117 HD1 PHE 16 2HD PHE 16 3.151 -3.530 5.564 118 HD2 PHE 16 1HD PHE 16 5.927 -6.430 4.034 119 HE1 PHE 16 2HE PHE 16 4.369 -3.518 7.725 120 HE2 PHE 16 1HE PHE 16 7.141 -6.411 6.190 121 HZ PHE 16 HZ PHE 16 6.361 -4.959 8.016 122 H SER 17 H SER 17 6.497 -4.638 2.282 123 HA SER 17 HA SER 17 7.815 -3.230 4.301 124 HB2 SER 17 2HB SER 17 8.601 -5.288 2.973 125 HB3 SER 17 1HB SER 17 9.180 -4.136 1.770 126 HG SER 17 HG SER 17 10.788 -3.710 3.043 127 H LEU 18 H LEU 18 7.304 -2.410 0.912 128 HA LEU 18 HA LEU 18 9.076 -0.196 0.780 129 HB2 LEU 18 2HB LEU 18 6.571 -0.857 -0.758 130 HB3 LEU 18 1HB LEU 18 7.560 0.554 -1.119 131 HG LEU 18 HG LEU 18 8.606 -2.295 -1.065 132 HD11 LEU 18 1HD1 LEU 18 8.650 -2.065 -3.550 133 HD12 LEU 18 2HD1 LEU 18 7.786 -0.537 -3.395 134 HD13 LEU 18 3HD1 LEU 18 7.014 -2.040 -2.898 135 HD21 LEU 18 3HD2 LEU 18 10.400 -0.970 -2.555 136 HD22 LEU 18 1HD2 LEU 18 10.521 -1.020 -0.798 137 HD23 LEU 18 2HD2 LEU 18 9.833 0.395 -1.591 138 H PHE 19 H PHE 19 5.676 -0.403 1.712 139 HA PHE 19 HA PHE 19 5.394 2.427 2.031 140 HB2 PHE 19 2HB PHE 19 3.729 0.161 3.096 141 HB3 PHE 19 1HB PHE 19 3.264 1.858 3.147 142 HD1 PHE 19 1HD PHE 19 3.581 3.107 0.758 143 HD2 PHE 19 2HD PHE 19 2.893 -1.091 1.315 144 HE1 PHE 19 1HE PHE 19 2.722 2.938 -1.557 145 HE2 PHE 19 2HE PHE 19 2.050 -1.257 -0.979 146 HZ PHE 19 HZ PHE 19 1.953 0.751 -2.439 147 H ASP 20 H ASP 20 6.037 -0.230 4.302 148 HA ASP 20 HA ASP 20 5.874 1.365 6.637 149 HB2 ASP 20 2HB ASP 20 5.800 -1.156 6.538 150 HB3 ASP 20 1HB ASP 20 7.544 -1.133 6.286 151 H LYS 21 H LYS 21 7.123 3.211 5.530 152 HA LYS 21 HA LYS 21 9.906 3.100 5.120 153 HB2 LYS 21 2HB LYS 21 8.532 5.529 6.267 154 HB3 LYS 21 1HB LYS 21 9.896 5.474 5.158 155 HG2 LYS 21 2HG LYS 21 7.007 4.817 4.566 156 HG3 LYS 21 1HG LYS 21 7.964 6.115 3.878 157 HD2 LYS 21 2HD LYS 21 8.454 3.150 3.422 158 HD3 LYS 21 1HD LYS 21 7.709 4.252 2.286 159 HE2 LYS 21 2HE LYS 21 9.830 5.662 2.427 160 HE3 LYS 21 1HE LYS 21 10.568 4.299 3.264 161 HZ1 LYS 21 3HZ LYS 21 10.067 4.634 0.494 162 HZ2 LYS 21 1HZ LYS 21 9.316 3.225 1.067 163 HZ3 LYS 21 2HZ LYS 21 10.986 3.444 1.285 164 H ASP 22 H ASP 22 8.093 3.967 8.074 165 HA ASP 22 HA ASP 22 10.278 4.461 9.725 166 HB2 ASP 22 2HB ASP 22 8.026 4.981 10.432 167 HB3 ASP 22 1HB ASP 22 7.548 3.290 10.316 168 H GLY 23 H GLY 23 9.229 1.551 8.278 169 HA2 GLY 23 2HA GLY 23 9.906 -0.628 8.436 170 HA3 GLY 23 1HA GLY 23 11.431 0.048 8.990 171 H ASP 24 H ASP 24 8.313 0.292 10.662 172 HA ASP 24 HA ASP 24 9.549 -1.061 12.982 173 HB2 ASP 24 2HB ASP 24 7.981 0.035 14.345 174 HB3 ASP 24 1HB ASP 24 8.434 1.237 13.144 175 H GLY 25 H GLY 25 7.687 -1.882 10.380 176 HA2 GLY 25 2HA GLY 25 6.926 -4.140 10.088 177 HA3 GLY 25 1HA GLY 25 6.567 -4.224 11.806 178 H THR 26 H THR 26 5.604 -1.243 10.658 179 HA THR 26 HA THR 26 2.937 -2.132 9.793 180 HB THR 26 HB THR 26 2.025 -0.338 11.413 181 HG1 THR 26 1HG THR 26 3.363 -0.211 13.318 182 HG21 THR 26 3HG2 THR 26 1.626 -2.766 11.643 183 HG22 THR 26 1HG2 THR 26 1.808 -1.982 13.214 184 HG23 THR 26 2HG2 THR 26 3.140 -2.917 12.534 185 H ILE 27 H ILE 27 1.712 -0.434 8.758 186 HA ILE 27 HA ILE 27 3.454 1.690 7.646 187 HB ILE 27 HB ILE 27 0.837 0.600 6.598 188 HG12 ILE 27 2HG1 ILE 27 3.598 0.215 5.448 189 HG13 ILE 27 1HG1 ILE 27 2.860 -0.956 6.543 190 HG21 ILE 27 1HG2 ILE 27 1.404 1.880 4.597 191 HG22 ILE 27 2HG2 ILE 27 2.857 2.488 5.381 192 HG23 ILE 27 3HG2 ILE 27 1.266 2.954 5.986 193 HD11 ILE 27 3HD1 ILE 27 1.551 -0.004 3.966 194 HD12 ILE 27 1HD1 ILE 27 1.006 -1.311 5.020 195 HD13 ILE 27 2HD1 ILE 27 2.497 -1.488 4.100 196 H THR 28 H THR 28 3.067 3.723 8.246 197 HA THR 28 HA THR 28 0.566 4.335 9.713 198 HB THR 28 HB THR 28 3.285 5.674 9.808 199 HG1 THR 28 1HG THR 28 2.223 4.750 12.108 200 HG21 THR 28 3HG2 THR 28 1.732 7.409 10.185 201 HG22 THR 28 1HG2 THR 28 2.128 6.844 11.804 202 HG23 THR 28 2HG2 THR 28 0.617 6.349 11.045 203 H THR 29 H THR 29 -0.223 6.587 9.489 204 HA THR 29 HA THR 29 -0.937 7.218 6.879 205 HB THR 29 HB THR 29 -1.583 9.449 7.835 206 HG1 THR 29 1HG THR 29 0.219 8.655 9.665 207 HG21 THR 29 3HG2 THR 29 -3.260 7.830 8.055 208 HG22 THR 29 1HG2 THR 29 -3.039 8.383 9.711 209 HG23 THR 29 2HG2 THR 29 -2.322 6.858 9.186 210 H LYS 30 H LYS 30 1.651 8.546 8.888 211 HA LYS 30 HA LYS 30 2.551 10.491 7.030 212 HB2 LYS 30 2HB LYS 30 3.890 9.173 9.401 213 HB3 LYS 30 1HB LYS 30 4.607 10.496 8.480 214 HG2 LYS 30 2HG LYS 30 2.778 11.972 9.033 215 HG3 LYS 30 1HG LYS 30 1.865 10.651 9.761 216 HD2 LYS 30 2HD LYS 30 2.959 12.052 11.484 217 HD3 LYS 30 1HD LYS 30 3.579 10.401 11.502 218 HE2 LYS 30 2HE LYS 30 4.986 12.457 9.816 219 HE3 LYS 30 1HE LYS 30 5.257 12.440 11.559 220 HZ1 LYS 30 3HZ LYS 30 5.367 9.808 10.703 221 HZ2 LYS 30 1HZ LYS 30 6.648 10.770 11.260 222 HZ3 LYS 30 2HZ LYS 30 6.296 10.705 9.599 223 H GLU 31 H GLU 31 3.511 7.143 7.716 224 HA GLU 31 HA GLU 31 5.786 7.005 6.079 225 HB2 GLU 31 2HB GLU 31 3.752 4.931 6.924 226 HB3 GLU 31 1HB GLU 31 5.154 4.520 5.942 227 HG2 GLU 31 2HG GLU 31 6.663 5.344 7.666 228 HG3 GLU 31 1HG GLU 31 5.301 5.910 8.630 229 H LEU 32 H LEU 32 2.450 5.980 5.323 230 HA LEU 32 HA LEU 32 2.865 5.495 2.580 231 HB2 LEU 32 2HB LEU 32 0.962 4.632 3.689 232 HB3 LEU 32 1HB LEU 32 0.386 6.223 4.157 233 HG LEU 32 HG LEU 32 0.099 6.738 1.697 234 HD11 LEU 32 1HD1 LEU 32 1.055 3.878 1.525 235 HD12 LEU 32 2HD1 LEU 32 1.562 5.276 0.583 236 HD13 LEU 32 3HD1 LEU 32 -0.014 4.538 0.289 237 HD21 LEU 32 3HD2 LEU 32 -1.372 4.419 2.946 238 HD22 LEU 32 1HD2 LEU 32 -1.847 5.119 1.399 239 HD23 LEU 32 2HD2 LEU 32 -1.869 6.107 2.860 240 H GLY 33 H GLY 33 1.569 8.368 4.251 241 HA2 GLY 33 2HA GLY 33 0.974 9.988 2.106 242 HA3 GLY 33 1HA GLY 33 1.609 10.599 3.630 243 H THR 34 H THR 34 4.147 9.500 3.629 244 HA THR 34 HA THR 34 5.594 11.328 2.068 245 HB THR 34 HB THR 34 6.504 8.709 3.289 246 HG1 THR 34 1HG THR 34 5.744 10.109 4.836 247 HG21 THR 34 3HG2 THR 34 8.050 11.084 2.225 248 HG22 THR 34 1HG2 THR 34 8.117 9.424 1.634 249 HG23 THR 34 2HG2 THR 34 8.758 9.819 3.228 250 H VAL 35 H VAL 35 5.042 7.793 1.564 251 HA VAL 35 HA VAL 35 6.432 7.587 -0.845 252 HB VAL 35 HB VAL 35 4.001 6.030 0.101 253 HG11 VAL 35 1HG1 VAL 35 4.354 5.517 -2.207 254 HG12 VAL 35 2HG1 VAL 35 5.163 4.222 -1.322 255 HG13 VAL 35 3HG1 VAL 35 6.108 5.535 -2.023 256 HG21 VAL 35 3HG2 VAL 35 6.919 5.288 0.384 257 HG22 VAL 35 1HG2 VAL 35 5.523 4.555 1.172 258 HG23 VAL 35 2HG2 VAL 35 6.049 6.168 1.644 259 H MET 36 H MET 36 3.058 8.408 -0.152 260 HA MET 36 HA MET 36 2.168 8.402 -2.846 261 HB2 MET 36 2HB MET 36 1.085 9.873 -0.444 262 HB3 MET 36 1HB MET 36 0.259 9.742 -1.998 263 HG2 MET 36 2HG MET 36 1.130 7.385 -0.305 264 HG3 MET 36 1HG MET 36 -0.508 8.014 -0.367 265 HE1 MET 36 3HE MET 36 -1.798 8.352 -2.342 266 HE2 MET 36 1HE MET 36 -2.250 6.699 -1.896 267 HE3 MET 36 2HE MET 36 -1.977 7.116 -3.588 268 H ARG 37 H ARG 37 3.703 10.836 -0.882 269 HA ARG 37 HA ARG 37 3.295 12.946 -2.828 270 HB2 ARG 37 2HB ARG 37 3.399 13.475 -0.455 271 HB3 ARG 37 1HB ARG 37 5.048 12.856 -0.376 272 HG2 ARG 37 2HG ARG 37 4.580 14.894 -2.511 273 HG3 ARG 37 1HG ARG 37 4.417 15.502 -0.868 274 HD2 ARG 37 2HD ARG 37 6.651 14.535 -0.344 275 HD3 ARG 37 1HD ARG 37 6.818 14.081 -2.034 276 HE ARG 37 HE ARG 37 6.172 16.805 -1.915 277 HH11 ARG 37 1HH2 ARG 37 8.707 14.605 -1.058 278 HH12 ARG 37 2HH2 ARG 37 9.966 15.777 -1.253 279 HH21 ARG 37 1HH1 ARG 37 7.805 18.338 -2.156 280 HH22 ARG 37 2HH1 ARG 37 9.456 17.894 -1.881 281 H SER 38 H SER 38 6.113 11.106 -1.659 282 HA SER 38 HA SER 38 8.105 12.198 -3.208 283 HB2 SER 38 2HB SER 38 7.683 9.330 -2.367 284 HB3 SER 38 1HB SER 38 9.152 9.889 -3.160 285 HG SER 38 HG SER 38 9.213 9.928 -0.826 286 H LEU 39 H LEU 39 5.387 10.400 -4.279 287 HA LEU 39 HA LEU 39 6.463 9.362 -6.697 288 HB2 LEU 39 2HB LEU 39 3.695 9.975 -5.718 289 HB3 LEU 39 1HB LEU 39 3.961 9.362 -7.349 290 HG LEU 39 HG LEU 39 5.103 7.973 -4.911 291 HD11 LEU 39 1HD1 LEU 39 3.201 6.661 -4.629 292 HD12 LEU 39 2HD1 LEU 39 2.633 6.934 -6.277 293 HD13 LEU 39 3HD1 LEU 39 2.454 8.196 -5.067 294 HD21 LEU 39 3HD2 LEU 39 6.208 7.123 -6.801 295 HD22 LEU 39 1HD2 LEU 39 4.790 7.287 -7.831 296 HD23 LEU 39 2HD2 LEU 39 4.871 5.998 -6.634 297 H GLY 40 H GLY 40 5.712 12.532 -5.742 298 HA2 GLY 40 2HA GLY 40 6.411 14.380 -7.102 299 HA3 GLY 40 1HA GLY 40 5.990 13.456 -8.539 300 H GLN 41 H GLN 41 4.015 13.905 -5.605 301 HA GLN 41 HA GLN 41 2.225 15.721 -7.076 302 HB2 GLN 41 2HB GLN 41 1.453 13.371 -7.521 303 HB3 GLN 41 1HB GLN 41 1.193 13.183 -5.787 304 HG2 GLN 41 2HG GLN 41 -0.530 14.814 -5.752 305 HG3 GLN 41 1HG GLN 41 -0.072 15.459 -7.326 306 HE21 GLN 41 1HE2 GLN 41 -2.753 14.654 -6.816 307 HE22 GLN 41 2HE2 GLN 41 -3.090 13.265 -7.730 308 H ASN 42 H ASN 42 0.368 16.413 -5.583 309 HA ASN 42 HA ASN 42 1.441 16.855 -2.845 310 HB2 ASN 42 2HB ASN 42 -0.478 18.658 -4.277 311 HB3 ASN 42 1HB ASN 42 0.526 19.014 -2.877 312 HD21 ASN 42 1HD2 ASN 42 1.064 17.809 -6.251 313 HD22 ASN 42 2HD2 ASN 42 2.409 18.802 -6.540 314 HA PRO 43 HA PRO 43 -2.666 14.746 -2.377 315 HB2 PRO 43 2HB PRO 43 -1.867 12.745 -0.696 316 HB3 PRO 43 1HB PRO 43 -1.735 12.625 -2.461 317 HG2 PRO 43 2HG PRO 43 0.382 13.166 -0.442 318 HG3 PRO 43 1HG PRO 43 0.486 12.305 -1.988 319 HD2 PRO 43 2HD PRO 43 1.302 14.965 -1.560 320 HD3 PRO 43 1HD PRO 43 1.000 14.225 -3.137 321 H THR 44 H THR 44 -3.758 14.118 -0.183 322 HA THR 44 HA THR 44 -2.934 16.067 1.908 323 HB THR 44 HB THR 44 -5.763 15.225 1.229 324 HG1 THR 44 1HG THR 44 -5.164 17.799 0.775 325 HG21 THR 44 3HG2 THR 44 -4.571 17.350 3.030 326 HG22 THR 44 1HG2 THR 44 -5.507 15.943 3.534 327 HG23 THR 44 2HG2 THR 44 -6.284 17.241 2.629 328 H GLU 45 H GLU 45 -3.216 15.478 4.041 329 HA GLU 45 HA GLU 45 -2.847 12.702 4.634 330 HB2 GLU 45 2HB GLU 45 -2.855 13.461 6.994 331 HB3 GLU 45 1HB GLU 45 -1.773 14.419 5.982 332 HG2 GLU 45 2HG GLU 45 -3.895 15.976 5.695 333 HG3 GLU 45 1HG GLU 45 -4.428 15.185 7.177 334 H ALA 46 H ALA 46 -5.417 15.005 5.545 335 HA ALA 46 HA ALA 46 -7.217 13.445 6.834 336 HB1 ALA 46 1HB ALA 46 -7.564 15.839 6.176 337 HB2 ALA 46 2HB ALA 46 -8.994 14.836 5.919 338 HB3 ALA 46 3HB ALA 46 -7.974 15.287 4.552 339 H GLU 47 H GLU 47 -6.744 13.549 3.320 340 HA GLU 47 HA GLU 47 -8.720 11.716 2.546 341 HB2 GLU 47 2HB GLU 47 -6.029 12.436 1.383 342 HB3 GLU 47 1HB GLU 47 -7.128 11.321 0.579 343 HG2 GLU 47 2HG GLU 47 -7.844 14.156 1.398 344 HG3 GLU 47 1HG GLU 47 -7.335 13.695 -0.223 345 H LEU 48 H LEU 48 -5.228 11.061 2.880 346 HA LEU 48 HA LEU 48 -5.393 8.250 2.786 347 HB2 LEU 48 2HB LEU 48 -3.422 10.224 3.883 348 HB3 LEU 48 1HB LEU 48 -3.179 8.515 4.245 349 HG LEU 48 HG LEU 48 -3.078 7.966 1.892 350 HD11 LEU 48 1HD1 LEU 48 -3.948 10.837 1.534 351 HD12 LEU 48 2HD1 LEU 48 -4.700 9.383 0.884 352 HD13 LEU 48 3HD1 LEU 48 -3.164 9.946 0.231 353 HD21 LEU 48 3HD2 LEU 48 -1.428 10.357 2.736 354 HD22 LEU 48 1HD2 LEU 48 -1.183 9.573 1.179 355 HD23 LEU 48 2HD2 LEU 48 -0.949 8.663 2.667 356 H GLN 49 H GLN 49 -5.247 10.395 5.640 357 HA GLN 49 HA GLN 49 -5.404 8.536 7.659 358 HB2 GLN 49 2HB GLN 49 -6.613 11.292 7.449 359 HB3 GLN 49 1HB GLN 49 -6.619 10.353 8.936 360 HG2 GLN 49 2HG GLN 49 -4.170 10.242 8.902 361 HG3 GLN 49 1HG GLN 49 -4.132 11.113 7.373 362 HE21 GLN 49 1HE2 GLN 49 -6.632 12.597 8.825 363 HE22 GLN 49 2HE2 GLN 49 -5.822 13.814 9.688 364 H ASP 50 H ASP 50 -7.852 9.534 5.418 365 HA ASP 50 HA ASP 50 -10.055 8.402 6.931 366 HB2 ASP 50 2HB ASP 50 -10.203 10.369 5.340 367 HB3 ASP 50 1HB ASP 50 -10.063 9.205 4.024 368 H MET 51 H MET 51 -8.128 7.502 4.075 369 HA MET 51 HA MET 51 -9.553 5.155 3.413 370 HB2 MET 51 2HB MET 51 -6.636 5.845 2.973 371 HB3 MET 51 1HB MET 51 -7.489 4.512 2.193 372 HG2 MET 51 2HG MET 51 -8.332 7.418 1.989 373 HG3 MET 51 1HG MET 51 -7.366 6.582 0.774 374 HE1 MET 51 3HE MET 51 -10.260 8.026 0.247 375 HE2 MET 51 1HE MET 51 -10.776 6.873 -0.992 376 HE3 MET 51 2HE MET 51 -9.090 7.377 -0.902 377 H ILE 52 H ILE 52 -6.698 5.669 5.478 378 HA ILE 52 HA ILE 52 -6.380 2.925 6.151 379 HB ILE 52 HB ILE 52 -5.388 5.508 7.366 380 HG12 ILE 52 2HG1 ILE 52 -4.038 3.126 6.048 381 HG13 ILE 52 1HG1 ILE 52 -4.342 4.688 5.291 382 HG21 ILE 52 1HG2 ILE 52 -5.674 4.113 9.302 383 HG22 ILE 52 2HG2 ILE 52 -3.973 3.983 8.876 384 HG23 ILE 52 3HG2 ILE 52 -5.092 2.693 8.447 385 HD11 ILE 52 3HD1 ILE 52 -2.077 4.778 6.012 386 HD12 ILE 52 1HD1 ILE 52 -2.474 4.065 7.577 387 HD13 ILE 52 2HD1 ILE 52 -2.987 5.709 7.200 388 H ASN 53 H ASN 53 -8.018 5.642 7.731 389 HA ASN 53 HA ASN 53 -8.859 4.298 10.047 390 HB2 ASN 53 2HB ASN 53 -9.914 6.686 8.541 391 HB3 ASN 53 1HB ASN 53 -10.716 6.101 9.996 392 HD21 ASN 53 1HD2 ASN 53 -8.037 5.259 11.198 393 HD22 ASN 53 2HD2 ASN 53 -7.316 6.711 11.691 394 H GLU 54 H GLU 54 -10.302 4.520 6.840 395 HA GLU 54 HA GLU 54 -12.800 3.366 7.481 396 HB2 GLU 54 2HB GLU 54 -12.324 4.585 5.367 397 HB3 GLU 54 1HB GLU 54 -11.309 3.241 4.847 398 HG2 GLU 54 2HG GLU 54 -13.228 1.715 4.962 399 HG3 GLU 54 1HG GLU 54 -14.250 3.020 5.554 400 H VAL 55 H VAL 55 -9.710 1.914 6.476 401 HA VAL 55 HA VAL 55 -10.901 -0.775 6.693 402 HB VAL 55 HB VAL 55 -8.791 -1.553 5.670 403 HG11 VAL 55 1HG1 VAL 55 -10.696 -0.981 4.251 404 HG12 VAL 55 2HG1 VAL 55 -9.198 -0.493 3.456 405 HG13 VAL 55 3HG1 VAL 55 -10.209 0.716 4.244 406 HG21 VAL 55 3HG2 VAL 55 -8.069 1.342 6.046 407 HG22 VAL 55 1HG2 VAL 55 -7.467 0.534 4.598 408 HG23 VAL 55 2HG2 VAL 55 -7.053 -0.087 6.191 409 H ASP 56 H ASP 56 -7.716 0.597 7.660 410 HA ASP 56 HA ASP 56 -6.310 -0.229 9.345 411 HB2 ASP 56 2HB ASP 56 -7.137 0.555 11.523 412 HB3 ASP 56 1HB ASP 56 -7.437 1.741 10.259 413 H ALA 57 H ALA 57 -7.771 -1.027 11.981 414 HA ALA 57 HA ALA 57 -9.049 -3.510 11.512 415 HB1 ALA 57 1HB ALA 57 -6.090 -3.553 12.037 416 HB2 ALA 57 2HB ALA 57 -6.993 -4.396 10.779 417 HB3 ALA 57 3HB ALA 57 -7.127 -4.917 12.459 418 H ASP 58 H ASP 58 -6.555 -2.582 13.904 419 HA ASP 58 HA ASP 58 -8.419 -3.163 16.079 420 HB2 ASP 58 2HB ASP 58 -5.510 -2.348 16.043 421 HB3 ASP 58 1HB ASP 58 -6.432 -2.601 17.524 422 H GLY 59 H GLY 59 -7.806 -0.513 14.179 423 HA2 GLY 59 2HA GLY 59 -8.735 1.641 14.384 424 HA3 GLY 59 1HA GLY 59 -9.096 1.296 16.073 425 H ASN 60 H ASN 60 -5.967 0.369 15.370 426 HA ASN 60 HA ASN 60 -4.781 2.369 17.002 427 HB2 ASN 60 2HB ASN 60 -4.048 -0.041 16.772 428 HB3 ASN 60 1HB ASN 60 -3.411 0.376 15.183 429 HD21 ASN 60 1HD2 ASN 60 -1.171 0.130 15.711 430 HD22 ASN 60 2HD2 ASN 60 -0.378 1.129 16.832 431 H GLY 61 H GLY 61 -5.552 2.157 13.692 432 HA2 GLY 61 2HA GLY 61 -5.374 3.837 12.088 433 HA3 GLY 61 1HA GLY 61 -4.295 4.715 13.165 434 H THR 62 H THR 62 -3.550 1.405 12.706 435 HA THR 62 HA THR 62 -1.465 2.066 10.702 436 HB THR 62 HB THR 62 0.074 0.646 11.883 437 HG1 THR 62 1HG THR 62 -0.509 -0.385 13.764 438 HG21 THR 62 3HG2 THR 62 0.347 1.953 13.961 439 HG22 THR 62 1HG2 THR 62 -1.283 2.597 13.752 440 HG23 THR 62 2HG2 THR 62 -0.024 2.987 12.581 441 H ILE 63 H ILE 63 -0.803 0.362 9.347 442 HA ILE 63 HA ILE 63 -2.847 -1.771 9.025 443 HB ILE 63 HB ILE 63 -0.873 -0.855 6.945 444 HG12 ILE 63 2HG1 ILE 63 -2.186 1.097 7.536 445 HG13 ILE 63 1HG1 ILE 63 -2.799 0.461 6.011 446 HG21 ILE 63 1HG2 ILE 63 -2.544 -1.857 5.416 447 HG22 ILE 63 2HG2 ILE 63 -3.502 -2.344 6.814 448 HG23 ILE 63 3HG2 ILE 63 -1.902 -3.037 6.559 449 HD11 ILE 63 3HD1 ILE 63 -4.047 0.388 8.732 450 HD12 ILE 63 1HD1 ILE 63 -4.441 -0.898 7.591 451 HD13 ILE 63 2HD1 ILE 63 -4.776 0.778 7.179 452 H ASP 64 H ASP 64 -2.289 -3.810 9.333 453 HA ASP 64 HA ASP 64 0.537 -4.455 9.829 454 HB2 ASP 64 2HB ASP 64 -1.962 -6.073 10.370 455 HB3 ASP 64 1HB ASP 64 -0.324 -6.480 10.881 456 H PHE 65 H PHE 65 1.040 -6.798 9.227 457 HA PHE 65 HA PHE 65 1.471 -7.046 6.536 458 HB2 PHE 65 2HB PHE 65 1.166 -9.714 7.739 459 HB3 PHE 65 1HB PHE 65 2.613 -8.916 7.159 460 HD1 PHE 65 1HD PHE 65 3.087 -6.637 8.747 461 HD2 PHE 65 2HD PHE 65 1.401 -10.393 9.990 462 HE1 PHE 65 1HE PHE 65 3.814 -6.210 11.077 463 HE2 PHE 65 2HE PHE 65 2.112 -9.940 12.310 464 HZ PHE 65 HZ PHE 65 3.322 -7.851 12.855 465 HA PRO 66 HA PRO 66 -2.330 -9.915 5.942 466 HB2 PRO 66 2HB PRO 66 -4.245 -9.988 7.929 467 HB3 PRO 66 1HB PRO 66 -2.867 -11.102 7.850 468 HG2 PRO 66 2HG PRO 66 -3.250 -8.684 9.549 469 HG3 PRO 66 1HG PRO 66 -2.461 -10.224 9.934 470 HD2 PRO 66 2HD PRO 66 -1.105 -7.933 9.296 471 HD3 PRO 66 1HD PRO 66 -0.469 -9.558 9.058 472 H GLU 67 H GLU 67 -3.136 -7.074 7.906 473 HA GLU 67 HA GLU 67 -5.571 -6.397 6.715 474 HB2 GLU 67 2HB GLU 67 -3.464 -4.525 7.821 475 HB3 GLU 67 1HB GLU 67 -5.178 -4.160 7.607 476 HG2 GLU 67 2HG GLU 67 -5.817 -5.809 9.223 477 HG3 GLU 67 1HG GLU 67 -4.176 -6.445 9.318 478 H PHE 68 H PHE 68 -2.252 -5.457 5.871 479 HA PHE 68 HA PHE 68 -2.882 -3.698 3.769 480 HB2 PHE 68 2HB PHE 68 -0.665 -3.703 4.658 481 HB3 PHE 68 1HB PHE 68 -0.450 -5.411 4.270 482 HD1 PHE 68 2HD PHE 68 -0.412 -6.134 1.876 483 HD2 PHE 68 1HD PHE 68 -0.335 -2.000 3.007 484 HE1 PHE 68 2HE PHE 68 0.403 -5.545 -0.386 485 HE2 PHE 68 1HE PHE 68 0.462 -1.400 0.737 486 HZ PHE 68 HZ PHE 68 0.828 -3.181 -0.963 487 H LEU 69 H LEU 69 -2.029 -7.166 3.731 488 HA LEU 69 HA LEU 69 -2.333 -7.529 0.955 489 HB2 LEU 69 2HB LEU 69 -1.166 -9.158 2.240 490 HB3 LEU 69 1HB LEU 69 -2.547 -9.400 3.314 491 HG LEU 69 HG LEU 69 -3.146 -9.894 0.427 492 HD11 LEU 69 1HD1 LEU 69 -0.902 -10.803 0.453 493 HD12 LEU 69 2HD1 LEU 69 -2.051 -12.142 0.475 494 HD13 LEU 69 3HD1 LEU 69 -1.222 -11.664 1.958 495 HD21 LEU 69 3HD2 LEU 69 -4.754 -10.423 2.226 496 HD22 LEU 69 1HD2 LEU 69 -3.576 -11.497 2.975 497 HD23 LEU 69 2HD2 LEU 69 -4.257 -11.897 1.398 498 H THR 70 H THR 70 -4.640 -8.222 3.604 499 HA THR 70 HA THR 70 -6.746 -9.143 2.054 500 HB THR 70 HB THR 70 -6.829 -7.542 4.612 501 HG1 THR 70 1HG THR 70 -7.132 -10.319 4.304 502 HG21 THR 70 3HG2 THR 70 -8.923 -9.195 3.194 503 HG22 THR 70 1HG2 THR 70 -9.030 -7.498 3.665 504 HG23 THR 70 2HG2 THR 70 -9.037 -8.758 4.899 505 H MET 71 H MET 71 -6.159 -5.777 3.130 506 HA MET 71 HA MET 71 -8.433 -4.725 1.851 507 HB2 MET 71 2HB MET 71 -7.588 -2.581 2.360 508 HB3 MET 71 1HB MET 71 -7.018 -3.633 3.649 509 HG2 MET 71 2HG MET 71 -4.841 -3.741 2.741 510 HG3 MET 71 1HG MET 71 -5.305 -3.004 1.223 511 HE1 MET 71 3HE MET 71 -4.738 -1.061 5.290 512 HE2 MET 71 1HE MET 71 -4.723 -2.775 4.859 513 HE3 MET 71 2HE MET 71 -6.252 -1.911 5.002 514 H MET 72 H MET 72 -5.344 -5.655 0.561 515 HA MET 72 HA MET 72 -5.653 -4.028 -1.836 516 HB2 MET 72 2HB MET 72 -3.469 -4.509 -2.243 517 HB3 MET 72 1HB MET 72 -3.469 -5.058 -0.572 518 HG2 MET 72 2HG MET 72 -2.536 -6.854 -1.725 519 HG3 MET 72 1HG MET 72 -4.202 -7.357 -1.580 520 HE1 MET 72 3HE MET 72 -2.438 -8.743 -3.623 521 HE2 MET 72 1HE MET 72 -1.377 -7.333 -3.723 522 HE3 MET 72 2HE MET 72 -2.152 -7.960 -5.175 523 H ALA 73 H ALA 73 -6.448 -7.211 -0.756 524 HA ALA 73 HA ALA 73 -6.930 -8.275 -3.421 525 HB1 ALA 73 1HB ALA 73 -7.773 -10.264 -2.102 526 HB2 ALA 73 2HB ALA 73 -7.338 -9.382 -0.636 527 HB3 ALA 73 3HB ALA 73 -6.090 -9.830 -1.801 528 H ARG 74 H ARG 74 -8.486 -5.934 -2.350 529 HA ARG 74 HA ARG 74 -11.206 -7.042 -2.186 530 HB2 ARG 74 2HB ARG 74 -10.062 -4.280 -1.739 531 HB3 ARG 74 1HB ARG 74 -11.794 -4.616 -1.742 532 HG2 ARG 74 2HG ARG 74 -11.517 -6.225 0.085 533 HG3 ARG 74 1HG ARG 74 -9.769 -5.993 0.053 534 HD2 ARG 74 2HD ARG 74 -10.761 -4.672 1.862 535 HD3 ARG 74 1HD ARG 74 -10.082 -3.611 0.631 536 HE ARG 74 HE ARG 74 -12.250 -2.923 0.074 537 HH11 ARG 74 1HH2 ARG 74 -12.263 -5.601 2.275 538 HH12 ARG 74 2HH2 ARG 74 -13.949 -5.460 2.647 539 HH21 ARG 74 1HH1 ARG 74 -14.464 -2.741 0.565 540 HH22 ARG 74 2HH1 ARG 74 -15.190 -3.847 1.682 541 H LYS 75 H LYS 75 -9.044 -5.937 -4.503 542 HA LYS 75 HA LYS 75 -10.913 -6.120 -6.614 543 HB2 LYS 75 2HB LYS 75 -11.244 -3.737 -5.414 544 HB3 LYS 75 1HB LYS 75 -9.929 -3.290 -6.491 545 HG2 LYS 75 2HG LYS 75 -11.200 -4.049 -8.429 546 HG3 LYS 75 1HG LYS 75 -12.494 -4.640 -7.392 547 HD2 LYS 75 2HD LYS 75 -11.610 -1.748 -7.426 548 HD3 LYS 75 1HD LYS 75 -12.894 -2.365 -8.462 549 HE2 LYS 75 2HE LYS 75 -13.944 -3.267 -6.251 550 HE3 LYS 75 1HE LYS 75 -12.852 -2.137 -5.454 551 HZ1 LYS 75 3HZ LYS 75 -13.766 -0.379 -6.879 552 HZ2 LYS 75 1HZ LYS 75 -14.920 -1.068 -5.842 553 HZ3 LYS 75 2HZ LYS 75 -14.899 -1.491 -7.488 554 H MET 76 H MET 76 -9.359 -7.440 -7.507 555 HA MET 76 HA MET 76 -6.730 -6.261 -8.167 556 HB2 MET 76 2HB MET 76 -5.928 -8.469 -8.408 557 HB3 MET 76 1HB MET 76 -6.962 -8.512 -6.985 558 HG2 MET 76 2HG MET 76 -8.837 -9.338 -8.467 559 HG3 MET 76 1HG MET 76 -7.664 -9.467 -9.779 560 HE1 MET 76 3HE MET 76 -7.805 -11.720 -5.826 561 HE2 MET 76 1HE MET 76 -9.250 -11.602 -6.839 562 HE3 MET 76 2HE MET 76 -8.468 -10.141 -6.241 563 H LYS 77 H LYS 77 -9.526 -7.886 -9.588 564 HA LYS 77 HA LYS 77 -10.187 -8.146 -11.776 565 HB2 LYS 77 2HB LYS 77 -9.203 -5.288 -11.689 566 HB3 LYS 77 1HB LYS 77 -10.030 -5.966 -13.091 567 HG2 LYS 77 2HG LYS 77 -11.988 -6.512 -11.696 568 HG3 LYS 77 1HG LYS 77 -11.161 -5.887 -10.270 569 HD2 LYS 77 2HD LYS 77 -11.064 -3.640 -11.299 570 HD3 LYS 77 1HD LYS 77 -11.871 -4.261 -12.738 571 HE2 LYS 77 2HE LYS 77 -13.854 -4.845 -11.371 572 HE3 LYS 77 1HE LYS 77 -13.047 -4.214 -9.936 573 HZ1 LYS 77 3HZ LYS 77 -14.332 -2.801 -12.099 574 HZ2 LYS 77 1HZ LYS 77 -12.819 -2.167 -11.667 575 HZ3 LYS 77 2HZ LYS 77 -14.044 -2.309 -10.497 576 H1 GLY 45 1HT GLY 45 -17.701 1.722 -3.482 577 H2 GLY 45 2HT GLY 45 -17.628 2.817 -4.779 578 H3 GLY 45 3HT GLY 45 -18.312 3.294 -3.299 579 HA2 GLY 45 2HA GLY 45 -16.355 4.056 -2.652 580 HA3 GLY 45 1HA GLY 45 -15.753 2.398 -2.718 581 H THR 46 H THR 46 -15.048 1.600 -4.883 582 HA THR 46 HA THR 46 -13.441 1.835 -6.534 583 HB THR 46 HB THR 46 -14.231 3.131 -8.445 584 HG1 THR 46 1HG THR 46 -14.914 4.963 -7.301 585 HG21 THR 46 3HG2 THR 46 -16.479 2.147 -8.684 586 HG22 THR 46 1HG2 THR 46 -16.516 1.811 -6.953 587 HG23 THR 46 2HG2 THR 46 -15.351 0.984 -7.988 588 H GLY 47 H GLY 47 -12.904 3.402 -4.168 589 HA2 GLY 47 2HA GLY 47 -11.304 5.600 -5.370 590 HA3 GLY 47 1HA GLY 47 -12.175 5.806 -3.852 591 H ALA 48 H ALA 48 -11.720 3.753 -2.350 592 HA ALA 48 HA ALA 48 -9.101 4.033 -1.393 593 HB1 ALA 48 1HB ALA 48 -10.981 1.726 -0.862 594 HB2 ALA 48 2HB ALA 48 -11.120 3.307 -0.094 595 HB3 ALA 48 3HB ALA 48 -9.690 2.314 0.186 596 H ALA 49 H ALA 49 -10.544 1.362 -3.285 597 HA ALA 49 HA ALA 49 -8.238 -0.285 -3.299 598 HB1 ALA 49 1HB ALA 49 -10.611 -0.113 -5.161 599 HB2 ALA 49 2HB ALA 49 -10.367 -1.246 -3.832 600 HB3 ALA 49 3HB ALA 49 -9.370 -1.359 -5.283 601 H LEU 50 H LEU 50 -9.411 2.185 -5.549 602 HA LEU 50 HA LEU 50 -7.470 1.805 -7.561 603 HB2 LEU 50 2HB LEU 50 -9.491 3.081 -7.991 604 HB3 LEU 50 1HB LEU 50 -9.050 4.260 -6.760 605 HG LEU 50 HG LEU 50 -7.099 4.951 -8.071 606 HD11 LEU 50 1HD1 LEU 50 -6.328 3.033 -9.183 607 HD12 LEU 50 2HD1 LEU 50 -7.045 3.957 -10.501 608 HD13 LEU 50 3HD1 LEU 50 -7.930 2.609 -9.782 609 HD21 LEU 50 3HD2 LEU 50 -9.596 4.783 -9.786 610 HD22 LEU 50 1HD2 LEU 50 -8.270 5.924 -9.998 611 HD23 LEU 50 2HD2 LEU 50 -9.284 6.011 -8.558 612 H SER 51 H SER 51 -7.575 3.898 -4.717 613 HA SER 51 HA SER 51 -5.197 5.325 -5.160 614 HB2 SER 51 2HB SER 51 -6.645 6.127 -3.466 615 HB3 SER 51 1HB SER 51 -6.713 4.558 -2.672 616 HG SER 51 HG SER 51 -4.172 5.331 -2.873 617 H TRP 52 H TRP 52 -5.822 2.332 -3.377 618 HA TRP 52 HA TRP 52 -3.136 1.897 -2.574 619 HB2 TRP 52 2HB TRP 52 -5.630 0.226 -2.730 620 HB3 TRP 52 1HB TRP 52 -4.092 -0.561 -2.383 621 HD1 TRP 52 HD TRP 52 -6.895 0.844 -0.630 622 HE1 TRP 52 1HE TRP 52 -6.279 1.579 1.761 623 HE3 TRP 52 3HE TRP 52 -1.793 0.864 -0.991 624 HZ2 TRP 52 2HZ TRP 52 -3.945 2.099 3.319 625 HZ3 TRP 52 3HZ TRP 52 -0.402 1.478 0.961 626 HH2 TRP 52 HH TRP 52 -1.459 2.099 3.113 627 H GLN 53 H GLN 53 -5.078 0.625 -5.278 628 HA GLN 53 HA GLN 53 -3.114 -1.071 -6.361 629 HB2 GLN 53 2HB GLN 53 -5.500 -1.143 -7.000 630 HB3 GLN 53 1HB GLN 53 -5.319 0.409 -7.818 631 HG2 GLN 53 2HG GLN 53 -3.714 -0.528 -9.372 632 HG3 GLN 53 1HG GLN 53 -3.687 -2.053 -8.489 633 HE21 GLN 53 1HE2 GLN 53 -4.920 -3.627 -9.511 634 HE22 GLN 53 2HE2 GLN 53 -6.338 -3.335 -10.399 635 H ALA 54 H ALA 54 -3.863 2.345 -7.092 636 HA ALA 54 HA ALA 54 -1.958 2.630 -9.170 637 HB1 ALA 54 1HB ALA 54 -2.233 5.065 -8.780 638 HB2 ALA 54 2HB ALA 54 -3.149 4.704 -7.316 639 HB3 ALA 54 3HB ALA 54 -3.778 4.221 -8.891 640 H ALA 55 H ALA 55 -1.748 3.138 -5.668 641 HA ALA 55 HA ALA 55 0.832 4.318 -5.651 642 HB1 ALA 55 1HB ALA 55 0.829 3.545 -3.233 643 HB2 ALA 55 2HB ALA 55 -0.738 2.805 -3.559 644 HB3 ALA 55 3HB ALA 55 -0.540 4.551 -3.709 645 H ILE 56 H ILE 56 -0.270 0.960 -5.333 646 HA ILE 56 HA ILE 56 2.258 -0.200 -4.819 647 HB ILE 56 HB ILE 56 -0.279 -1.321 -6.031 648 HG12 ILE 56 2HG1 ILE 56 0.951 -1.794 -3.304 649 HG13 ILE 56 1HG1 ILE 56 -0.211 -0.503 -3.609 650 HG21 ILE 56 1HG2 ILE 56 1.447 -2.768 -6.810 651 HG22 ILE 56 2HG2 ILE 56 0.798 -3.549 -5.370 652 HG23 ILE 56 3HG2 ILE 56 2.323 -2.668 -5.282 653 HD11 ILE 56 3HD1 ILE 56 -1.828 -2.199 -4.457 654 HD12 ILE 56 1HD1 ILE 56 -1.388 -2.477 -2.772 655 HD13 ILE 56 2HD1 ILE 56 -0.674 -3.468 -4.045 656 H ASP 57 H ASP 57 0.457 0.344 -7.826 657 HA ASP 57 HA ASP 57 2.259 -0.926 -9.578 658 HB2 ASP 57 2HB ASP 57 -0.010 -0.329 -10.242 659 HB3 ASP 57 1HB ASP 57 0.366 1.384 -10.064 660 H ALA 58 H ALA 58 1.978 2.497 -8.622 661 HA ALA 58 HA ALA 58 4.162 3.414 -10.170 662 HB1 ALA 58 1HB ALA 58 2.312 4.800 -9.090 663 HB2 ALA 58 2HB ALA 58 3.945 5.453 -8.979 664 HB3 ALA 58 3HB ALA 58 3.219 4.653 -7.585 665 H ALA 59 H ALA 59 3.914 2.187 -6.859 666 HA ALA 59 HA ALA 59 6.550 2.788 -6.028 667 HB1 ALA 59 1HB ALA 59 4.928 0.394 -5.133 668 HB2 ALA 59 2HB ALA 59 4.590 2.035 -4.581 669 HB3 ALA 59 3HB ALA 59 6.143 1.286 -4.215 670 H ARG 60 H ARG 60 5.139 0.036 -7.718 671 HA ARG 60 HA ARG 60 7.400 -1.648 -7.691 672 HB2 ARG 60 2HB ARG 60 5.002 -2.238 -8.314 673 HB3 ARG 60 1HB ARG 60 5.331 -1.498 -9.880 674 HG2 ARG 60 2HG ARG 60 5.920 -3.699 -10.361 675 HG3 ARG 60 1HG ARG 60 7.480 -3.088 -9.808 676 HD2 ARG 60 2HD ARG 60 6.983 -3.921 -7.528 677 HD3 ARG 60 1HD ARG 60 5.448 -4.561 -8.103 678 HE ARG 60 HE ARG 60 8.116 -5.601 -8.693 679 HH11 ARG 60 1HH2 ARG 60 4.674 -5.696 -9.221 680 HH12 ARG 60 2HH2 ARG 60 4.719 -7.230 -10.021 681 HH21 ARG 60 1HH1 ARG 60 8.158 -7.586 -9.742 682 HH22 ARG 60 2HH1 ARG 60 6.688 -8.301 -10.311 683 H GLN 61 H GLN 61 6.268 0.755 -10.065 684 HA GLN 61 HA GLN 61 8.353 0.331 -11.944 685 HB2 GLN 61 2HB GLN 61 6.198 1.538 -12.413 686 HB3 GLN 61 1HB GLN 61 6.811 2.895 -11.468 687 HG2 GLN 61 2HG GLN 61 8.753 3.071 -12.987 688 HG3 GLN 61 1HG GLN 61 8.127 1.726 -13.938 689 HE21 GLN 61 1HE2 GLN 61 7.427 2.702 -15.869 690 HE22 GLN 61 2HE2 GLN 61 6.373 4.032 -15.939 691 H ALA 62 H ALA 62 7.993 2.466 -9.157 692 HA ALA 62 HA ALA 62 10.339 3.996 -9.536 693 HB1 ALA 62 1HB ALA 62 8.877 3.277 -6.984 694 HB2 ALA 62 2HB ALA 62 8.570 4.688 -7.996 695 HB3 ALA 62 3HB ALA 62 10.100 4.540 -7.132 696 H LYS 63 H LYS 63 9.715 0.969 -7.800 697 HA LYS 63 HA LYS 63 12.275 0.672 -6.647 698 HB2 LYS 63 2HB LYS 63 10.291 -0.630 -5.944 699 HB3 LYS 63 1HB LYS 63 10.323 -1.485 -7.485 700 HG2 LYS 63 2HG LYS 63 12.497 -2.424 -6.995 701 HG3 LYS 63 1HG LYS 63 12.643 -1.442 -5.538 702 HD2 LYS 63 2HD LYS 63 10.688 -2.596 -4.565 703 HD3 LYS 63 1HD LYS 63 10.556 -3.592 -6.017 704 HE2 LYS 63 2HE LYS 63 13.063 -3.471 -4.324 705 HE3 LYS 63 1HE LYS 63 11.794 -4.670 -4.074 706 HZ1 LYS 63 3HZ LYS 63 13.679 -4.389 -6.286 707 HZ2 LYS 63 1HZ LYS 63 12.124 -4.954 -6.657 708 HZ3 LYS 63 2HZ LYS 63 13.085 -5.793 -5.536 709 H LEU 64 H LEU 64 10.914 -0.477 -9.717 710 HA LEU 64 HA LEU 64 13.149 -1.955 -10.560 711 HB2 LEU 64 2HB LEU 64 10.999 -2.233 -11.641 712 HB3 LEU 64 1HB LEU 64 10.995 -0.548 -12.160 713 HG LEU 64 HG LEU 64 12.926 -0.951 -13.613 714 HD11 LEU 64 1HD1 LEU 64 12.895 -3.640 -12.241 715 HD12 LEU 64 2HD1 LEU 64 14.254 -2.552 -12.519 716 HD13 LEU 64 3HD1 LEU 64 13.583 -3.478 -13.859 717 HD21 LEU 64 3HD2 LEU 64 10.882 -3.159 -13.979 718 HD22 LEU 64 1HD2 LEU 64 11.885 -2.429 -15.231 719 HD23 LEU 64 2HD2 LEU 64 10.625 -1.477 -14.447 720 H MET 65 H MET 65 12.257 1.436 -11.123 721 HA MET 65 HA MET 65 14.470 2.032 -12.803 722 HB2 MET 65 2HB MET 65 12.666 3.806 -11.145 723 HB3 MET 65 1HB MET 65 13.867 4.414 -12.284 724 HG2 MET 65 2HG MET 65 11.631 2.504 -13.024 725 HG3 MET 65 1HG MET 65 11.565 4.246 -13.273 726 HE1 MET 65 3HE MET 65 14.776 4.885 -14.387 727 HE2 MET 65 1HE MET 65 13.141 5.557 -14.357 728 HE3 MET 65 2HE MET 65 13.904 5.160 -15.892 729 H GLY 66 H GLY 66 13.969 2.196 -9.319 730 HA2 GLY 66 2HA GLY 66 15.578 2.154 -7.643 731 HA3 GLY 66 1HA GLY 66 16.828 2.254 -8.875 732 H SER 67 H SER 67 14.425 4.636 -9.264 733 HA SER 67 HA SER 67 16.195 6.792 -8.865 734 HB2 SER 67 2HB SER 67 13.165 6.795 -8.817 735 HB3 SER 67 1HB SER 67 14.189 8.217 -9.004 736 HG SER 67 HG SER 67 14.105 7.739 -11.046 737 H ALA 68 H ALA 68 13.729 5.353 -6.780 738 HA ALA 68 HA ALA 68 13.872 7.195 -4.651 739 HB1 ALA 68 1HB ALA 68 12.027 5.661 -4.770 740 HB2 ALA 68 2HB ALA 68 12.929 5.276 -3.304 741 HB3 ALA 68 3HB ALA 68 13.110 4.270 -4.742 Start of MODEL 17 1 H1 ALA 1 1HT ALA 1 -2.002 -21.063 3.966 2 H2 ALA 1 2HT ALA 1 -3.189 -19.864 3.762 3 H3 ALA 1 3HT ALA 1 -2.295 -20.415 2.427 4 HA ALA 1 HA ALA 1 -3.269 -22.705 3.015 5 HB1 ALA 1 2HB ALA 1 -4.361 -22.249 5.071 6 HB2 ALA 1 3HB ALA 1 -5.668 -22.281 3.887 7 HB3 ALA 1 1HB ALA 1 -5.045 -20.738 4.471 8 H ASP 2 H ASP 2 -3.309 -22.831 0.847 9 HA ASP 2 HA ASP 2 -4.017 -22.559 -1.314 10 HB2 ASP 2 2HB ASP 2 -6.530 -21.945 0.239 11 HB3 ASP 2 1HB ASP 2 -6.503 -22.032 -1.521 12 H GLN 3 H GLN 3 -2.698 -20.337 -0.019 13 HA GLN 3 HA GLN 3 -3.832 -17.838 -0.423 14 HB2 GLN 3 2HB GLN 3 -1.429 -17.081 -0.799 15 HB3 GLN 3 1HB GLN 3 -1.740 -17.949 0.702 16 HG2 GLN 3 2HG GLN 3 -0.876 -19.470 -1.757 17 HG3 GLN 3 1HG GLN 3 0.324 -18.634 -0.774 18 HE21 GLN 3 1HE2 GLN 3 -0.689 -19.065 1.825 19 HE22 GLN 3 2HE2 GLN 3 -0.683 -20.731 2.156 20 H LEU 4 H LEU 4 -2.924 -16.250 -2.163 21 HA LEU 4 HA LEU 4 -4.062 -16.954 -4.632 22 HB2 LEU 4 2HB LEU 4 -1.984 -14.791 -4.414 23 HB3 LEU 4 1HB LEU 4 -3.464 -14.816 -5.363 24 HG LEU 4 HG LEU 4 -3.254 -14.573 -2.347 25 HD11 LEU 4 1HD1 LEU 4 -4.447 -12.381 -2.905 26 HD12 LEU 4 2HD1 LEU 4 -3.973 -12.674 -4.578 27 HD13 LEU 4 3HD1 LEU 4 -2.740 -12.488 -3.332 28 HD21 LEU 4 3HD2 LEU 4 -5.229 -15.891 -2.920 29 HD22 LEU 4 1HD2 LEU 4 -5.664 -14.745 -4.189 30 HD23 LEU 4 2HD2 LEU 4 -5.745 -14.261 -2.495 31 H THR 5 H THR 5 -0.635 -16.014 -4.312 32 HA THR 5 HA THR 5 0.387 -18.432 -5.460 33 HB THR 5 HB THR 5 0.252 -16.011 -7.276 34 HG1 THR 5 1HG THR 5 -1.242 -17.107 -8.334 35 HG21 THR 5 3HG2 THR 5 1.271 -17.711 -8.905 36 HG22 THR 5 1HG2 THR 5 1.656 -18.675 -7.483 37 HG23 THR 5 2HG2 THR 5 2.342 -17.078 -7.663 38 H GLU 6 H GLU 6 2.741 -18.259 -5.916 39 HA GLU 6 HA GLU 6 4.165 -17.153 -3.847 40 HB2 GLU 6 2HB GLU 6 5.058 -18.833 -5.465 41 HB3 GLU 6 1HB GLU 6 5.194 -17.551 -6.666 42 HG2 GLU 6 2HG GLU 6 6.753 -16.330 -5.213 43 HG3 GLU 6 1HG GLU 6 6.600 -17.580 -3.981 44 H GLU 7 H GLU 7 4.064 -15.818 -7.108 45 HA GLU 7 HA GLU 7 5.413 -13.451 -6.716 46 HB2 GLU 7 2HB GLU 7 3.466 -12.542 -8.385 47 HB3 GLU 7 1HB GLU 7 4.761 -13.608 -8.923 48 HG2 GLU 7 2HG GLU 7 3.407 -15.509 -8.891 49 HG3 GLU 7 1HG GLU 7 2.232 -14.787 -7.792 50 H GLN 8 H GLN 8 1.840 -13.693 -6.447 51 HA GLN 8 HA GLN 8 1.199 -11.240 -5.579 52 HB2 GLN 8 2HB GLN 8 0.135 -13.904 -4.663 53 HB3 GLN 8 1HB GLN 8 -0.653 -12.371 -4.305 54 HG2 GLN 8 2HG GLN 8 -0.004 -13.331 -7.107 55 HG3 GLN 8 1HG GLN 8 -1.575 -13.539 -6.338 56 HE21 GLN 8 1HE2 GLN 8 -0.415 -11.736 -8.665 57 HE22 GLN 8 2HE2 GLN 8 -1.098 -10.220 -8.323 58 H ILE 9 H ILE 9 1.860 -13.907 -3.218 59 HA ILE 9 HA ILE 9 1.746 -12.260 -0.981 60 HB ILE 9 HB ILE 9 3.185 -14.031 0.126 61 HG12 ILE 9 2HG1 ILE 9 3.007 -15.269 -2.624 62 HG13 ILE 9 1HG1 ILE 9 4.484 -14.664 -1.896 63 HG21 ILE 9 1HG2 ILE 9 0.670 -14.119 -0.092 64 HG22 ILE 9 2HG2 ILE 9 1.438 -15.703 0.013 65 HG23 ILE 9 3HG2 ILE 9 0.890 -15.091 -1.547 66 HD11 ILE 9 3HD1 ILE 9 4.121 -16.266 -0.011 67 HD12 ILE 9 1HD1 ILE 9 4.417 -17.018 -1.570 68 HD13 ILE 9 2HD1 ILE 9 2.781 -16.954 -0.933 69 H ALA 10 H ALA 10 4.637 -13.187 -2.855 70 HA ALA 10 HA ALA 10 6.510 -11.739 -1.368 71 HB1 ALA 10 1HB ALA 10 6.568 -12.228 -4.358 72 HB2 ALA 10 2HB ALA 10 7.002 -13.447 -3.158 73 HB3 ALA 10 3HB ALA 10 7.952 -11.966 -3.296 74 H GLU 11 H GLU 11 4.185 -10.793 -3.778 75 HA GLU 11 HA GLU 11 5.251 -8.255 -4.447 76 HB2 GLU 11 2HB GLU 11 3.319 -9.713 -5.525 77 HB3 GLU 11 1HB GLU 11 2.286 -8.765 -4.460 78 HG2 GLU 11 2HG GLU 11 4.237 -7.648 -6.498 79 HG3 GLU 11 1HG GLU 11 2.484 -7.700 -6.671 80 H PHE 12 H PHE 12 2.776 -9.238 -2.054 81 HA PHE 12 HA PHE 12 2.227 -6.627 -1.165 82 HB2 PHE 12 2HB PHE 12 0.639 -7.728 0.032 83 HB3 PHE 12 1HB PHE 12 1.277 -9.224 -0.638 84 HD1 PHE 12 2HD PHE 12 1.805 -6.787 2.160 85 HD2 PHE 12 1HD PHE 12 2.218 -10.835 0.795 86 HE1 PHE 12 2HE PHE 12 2.564 -7.471 4.407 87 HE2 PHE 12 1HE PHE 12 2.988 -11.517 3.041 88 HZ PHE 12 HZ PHE 12 3.163 -9.836 4.851 89 H LYS 13 H LYS 13 4.502 -9.091 -0.005 90 HA LYS 13 HA LYS 13 5.434 -7.763 2.270 91 HB2 LYS 13 2HB LYS 13 5.971 -10.121 1.617 92 HB3 LYS 13 1HB LYS 13 7.072 -9.485 0.400 93 HG2 LYS 13 2HG LYS 13 8.564 -9.794 2.162 94 HG3 LYS 13 1HG LYS 13 8.076 -8.137 2.480 95 HD2 LYS 13 2HD LYS 13 7.903 -9.301 4.552 96 HD3 LYS 13 1HD LYS 13 6.261 -9.052 3.988 97 HE2 LYS 13 2HE LYS 13 5.891 -11.302 3.689 98 HE3 LYS 13 1HE LYS 13 7.526 -11.604 3.100 99 HZ1 LYS 13 3HZ LYS 13 7.279 -12.623 5.216 100 HZ2 LYS 13 1HZ LYS 13 6.696 -11.189 5.911 101 HZ3 LYS 13 2HZ LYS 13 8.312 -11.286 5.395 102 H GLU 14 H GLU 14 6.659 -7.640 -1.069 103 HA GLU 14 HA GLU 14 8.797 -5.886 -0.640 104 HB2 GLU 14 2HB GLU 14 7.001 -6.337 -3.022 105 HB3 GLU 14 1HB GLU 14 8.391 -5.257 -3.078 106 HG2 GLU 14 2HG GLU 14 9.901 -7.077 -2.524 107 HG3 GLU 14 1HG GLU 14 8.555 -8.175 -2.258 108 H ALA 15 H ALA 15 5.500 -5.096 -1.778 109 HA ALA 15 HA ALA 15 5.789 -2.309 -1.697 110 HB1 ALA 15 1HB ALA 15 3.525 -2.231 -2.171 111 HB2 ALA 15 2HB ALA 15 3.137 -3.553 -1.068 112 HB3 ALA 15 3HB ALA 15 3.879 -3.894 -2.629 113 H PHE 16 H PHE 16 4.688 -4.593 0.781 114 HA PHE 16 HA PHE 16 3.939 -2.728 2.722 115 HB2 PHE 16 2HB PHE 16 3.303 -4.811 3.423 116 HB3 PHE 16 1HB PHE 16 4.667 -5.600 2.666 117 HD1 PHE 16 2HD PHE 16 3.713 -3.517 5.618 118 HD2 PHE 16 1HD PHE 16 6.539 -6.263 3.909 119 HE1 PHE 16 2HE PHE 16 4.880 -3.685 7.801 120 HE2 PHE 16 1HE PHE 16 7.706 -6.426 6.084 121 HZ PHE 16 HZ PHE 16 6.880 -5.137 8.013 122 H SER 17 H SER 17 7.073 -4.366 2.287 123 HA SER 17 HA SER 17 8.443 -3.170 4.394 124 HB2 SER 17 2HB SER 17 9.205 -5.076 2.839 125 HB3 SER 17 1HB SER 17 9.761 -3.801 1.756 126 HG SER 17 HG SER 17 11.074 -3.031 3.413 127 H LEU 18 H LEU 18 7.811 -1.955 1.142 128 HA LEU 18 HA LEU 18 9.612 0.253 1.265 129 HB2 LEU 18 2HB LEU 18 7.121 -0.230 -0.373 130 HB3 LEU 18 1HB LEU 18 8.166 1.172 -0.590 131 HG LEU 18 HG LEU 18 9.106 -1.708 -0.771 132 HD11 LEU 18 1HD1 LEU 18 8.316 0.287 -2.907 133 HD12 LEU 18 2HD1 LEU 18 7.641 -1.317 -2.633 134 HD13 LEU 18 3HD1 LEU 18 9.282 -1.148 -3.242 135 HD21 LEU 18 3HD2 LEU 18 10.995 -0.322 -2.079 136 HD22 LEU 18 1HD2 LEU 18 11.060 -0.537 -0.333 137 HD23 LEU 18 2HD2 LEU 18 10.448 0.971 -1.014 138 H PHE 19 H PHE 19 6.167 -0.059 2.041 139 HA PHE 19 HA PHE 19 5.803 2.701 2.629 140 HB2 PHE 19 2HB PHE 19 4.210 0.281 3.463 141 HB3 PHE 19 1HB PHE 19 3.688 1.947 3.701 142 HD1 PHE 19 1HD PHE 19 3.997 3.451 1.437 143 HD2 PHE 19 2HD PHE 19 3.352 -0.791 1.583 144 HE1 PHE 19 1HE PHE 19 3.130 3.503 -0.876 145 HE2 PHE 19 2HE PHE 19 2.493 -0.737 -0.716 146 HZ PHE 19 HZ PHE 19 2.376 1.407 -1.966 147 H ASP 20 H ASP 20 6.137 -0.122 4.810 148 HA ASP 20 HA ASP 20 6.092 1.359 7.195 149 HB2 ASP 20 2HB ASP 20 5.919 -1.153 6.948 150 HB3 ASP 20 1HB ASP 20 7.671 -1.175 6.752 151 H LYS 21 H LYS 21 7.393 3.245 6.487 152 HA LYS 21 HA LYS 21 10.167 3.069 5.957 153 HB2 LYS 21 2HB LYS 21 8.955 5.409 7.419 154 HB3 LYS 21 1HB LYS 21 10.252 5.408 6.229 155 HG2 LYS 21 2HG LYS 21 7.311 4.924 5.738 156 HG3 LYS 21 1HG LYS 21 8.262 6.284 5.176 157 HD2 LYS 21 2HD LYS 21 8.641 3.394 4.297 158 HD3 LYS 21 1HD LYS 21 7.886 4.666 3.354 159 HE2 LYS 21 2HE LYS 21 10.082 5.971 3.632 160 HE3 LYS 21 1HE LYS 21 10.783 4.448 4.178 161 HZ1 LYS 21 3HZ LYS 21 9.391 3.794 1.922 162 HZ2 LYS 21 1HZ LYS 21 11.072 3.975 2.046 163 HZ3 LYS 21 2HZ LYS 21 10.114 5.282 1.535 164 H ASP 22 H ASP 22 8.492 3.836 9.029 165 HA ASP 22 HA ASP 22 10.766 3.973 10.635 166 HB2 ASP 22 2HB ASP 22 8.145 2.816 11.594 167 HB3 ASP 22 1HB ASP 22 9.267 3.862 12.462 168 H GLY 23 H GLY 23 9.227 1.271 9.143 169 HA2 GLY 23 2HA GLY 23 9.730 -0.956 9.090 170 HA3 GLY 23 1HA GLY 23 11.285 -0.524 9.790 171 H ASP 24 H ASP 24 8.033 -0.112 11.191 172 HA ASP 24 HA ASP 24 8.949 -1.610 13.560 173 HB2 ASP 24 2HB ASP 24 7.175 -0.577 14.759 174 HB3 ASP 24 1HB ASP 24 7.917 0.679 13.773 175 H GLY 25 H GLY 25 7.388 -2.294 10.740 176 HA2 GLY 25 2HA GLY 25 6.588 -4.486 10.224 177 HA3 GLY 25 1HA GLY 25 6.123 -4.694 11.907 178 H THR 26 H THR 26 5.282 -1.639 10.815 179 HA THR 26 HA THR 26 2.619 -2.447 9.846 180 HB THR 26 HB THR 26 1.674 -0.642 11.400 181 HG1 THR 26 1HG THR 26 3.397 0.355 12.216 182 HG21 THR 26 3HG2 THR 26 1.342 -3.086 11.709 183 HG22 THR 26 1HG2 THR 26 1.419 -2.215 13.241 184 HG23 THR 26 2HG2 THR 26 2.816 -3.137 12.679 185 H ILE 27 H ILE 27 1.377 -0.460 9.123 186 HA ILE 27 HA ILE 27 3.240 1.527 7.928 187 HB ILE 27 HB ILE 27 0.776 0.275 6.724 188 HG12 ILE 27 2HG1 ILE 27 3.598 0.465 5.678 189 HG13 ILE 27 1HG1 ILE 27 3.003 -0.921 6.592 190 HG21 ILE 27 1HG2 ILE 27 0.627 2.587 6.162 191 HG22 ILE 27 2HG2 ILE 27 1.393 1.819 4.771 192 HG23 ILE 27 3HG2 ILE 27 2.370 2.716 5.935 193 HD11 ILE 27 3HD1 ILE 27 1.886 0.111 3.960 194 HD12 ILE 27 1HD1 ILE 27 1.171 -1.191 4.912 195 HD13 ILE 27 2HD1 ILE 27 2.774 -1.396 4.209 196 H THR 28 H THR 28 2.613 3.669 8.000 197 HA THR 28 HA THR 28 0.101 4.279 9.460 198 HB THR 28 HB THR 28 2.808 5.575 9.860 199 HG1 THR 28 1HG THR 28 2.859 3.777 11.030 200 HG21 THR 28 3HG2 THR 28 0.038 6.175 10.894 201 HG22 THR 28 1HG2 THR 28 1.212 7.284 10.185 202 HG23 THR 28 2HG2 THR 28 1.474 6.638 11.802 203 H THR 29 H THR 29 -0.591 6.547 9.212 204 HA THR 29 HA THR 29 -1.011 7.255 6.557 205 HB THR 29 HB THR 29 -1.867 9.352 7.401 206 HG1 THR 29 1HG THR 29 0.106 9.458 8.873 207 HG21 THR 29 3HG2 THR 29 -3.216 7.380 7.935 208 HG22 THR 29 1HG2 THR 29 -3.311 8.543 9.254 209 HG23 THR 29 2HG2 THR 29 -2.285 7.119 9.407 210 H LYS 30 H LYS 30 1.390 8.477 8.851 211 HA LYS 30 HA LYS 30 2.542 10.405 7.108 212 HB2 LYS 30 2HB LYS 30 3.590 9.035 9.589 213 HB3 LYS 30 1HB LYS 30 4.439 10.340 8.759 214 HG2 LYS 30 2HG LYS 30 2.488 11.818 9.071 215 HG3 LYS 30 1HG LYS 30 1.626 10.514 9.887 216 HD2 LYS 30 2HD LYS 30 3.371 10.452 11.635 217 HD3 LYS 30 1HD LYS 30 4.231 11.759 10.822 218 HE2 LYS 30 2HE LYS 30 2.295 13.249 11.138 219 HE3 LYS 30 1HE LYS 30 1.411 11.942 11.929 220 HZ1 LYS 30 3HZ LYS 30 3.715 13.483 12.896 221 HZ2 LYS 30 1HZ LYS 30 3.524 11.883 13.425 222 HZ3 LYS 30 2HZ LYS 30 2.300 13.025 13.719 223 H GLU 31 H GLU 31 3.356 7.036 7.883 224 HA GLU 31 HA GLU 31 5.766 6.868 6.433 225 HB2 GLU 31 2HB GLU 31 3.683 4.822 7.198 226 HB3 GLU 31 1HB GLU 31 5.134 4.377 6.312 227 HG2 GLU 31 2HG GLU 31 6.543 5.268 8.107 228 HG3 GLU 31 1HG GLU 31 5.116 5.826 8.977 229 H LEU 32 H LEU 32 2.574 5.625 5.460 230 HA LEU 32 HA LEU 32 3.250 5.247 2.751 231 HB2 LEU 32 2HB LEU 32 1.377 4.055 3.266 232 HB3 LEU 32 1HB LEU 32 0.782 5.246 4.409 233 HG LEU 32 HG LEU 32 0.750 5.994 1.482 234 HD11 LEU 32 1HD1 LEU 32 -0.112 3.686 1.518 235 HD12 LEU 32 2HD1 LEU 32 -1.324 4.877 1.070 236 HD13 LEU 32 3HD1 LEU 32 -1.329 4.186 2.692 237 HD21 LEU 32 3HD2 LEU 32 -0.157 7.217 3.798 238 HD22 LEU 32 1HD2 LEU 32 -1.609 6.454 3.181 239 HD23 LEU 32 2HD2 LEU 32 -0.707 7.580 2.174 240 H GLY 33 H GLY 33 1.655 7.955 4.417 241 HA2 GLY 33 2HA GLY 33 0.945 9.497 2.235 242 HA3 GLY 33 1HA GLY 33 1.409 10.149 3.799 243 H THR 34 H THR 34 4.061 9.356 3.941 244 HA THR 34 HA THR 34 5.372 11.368 2.478 245 HB THR 34 HB THR 34 6.513 8.877 3.774 246 HG1 THR 34 1HG THR 34 6.408 11.534 4.732 247 HG21 THR 34 3HG2 THR 34 8.597 10.297 3.875 248 HG22 THR 34 1HG2 THR 34 7.802 11.432 2.786 249 HG23 THR 34 2HG2 THR 34 8.143 9.786 2.249 250 H VAL 35 H VAL 35 5.220 7.811 1.949 251 HA VAL 35 HA VAL 35 6.856 7.696 -0.303 252 HB VAL 35 HB VAL 35 4.445 6.010 0.429 253 HG11 VAL 35 1HG1 VAL 35 5.679 4.293 -0.998 254 HG12 VAL 35 2HG1 VAL 35 6.650 5.631 -1.608 255 HG13 VAL 35 3HG1 VAL 35 4.908 5.608 -1.885 256 HG21 VAL 35 3HG2 VAL 35 7.398 5.841 1.048 257 HG22 VAL 35 1HG2 VAL 35 6.340 4.435 1.156 258 HG23 VAL 35 2HG2 VAL 35 6.044 5.839 2.177 259 H MET 36 H MET 36 3.393 8.364 -0.006 260 HA MET 36 HA MET 36 2.838 8.336 -2.812 261 HB2 MET 36 2HB MET 36 1.386 9.665 -0.519 262 HB3 MET 36 1HB MET 36 0.767 9.570 -2.170 263 HG2 MET 36 2HG MET 36 0.944 7.091 -2.066 264 HG3 MET 36 1HG MET 36 1.482 7.216 -0.396 265 HE1 MET 36 3HE MET 36 -1.626 6.293 -2.332 266 HE2 MET 36 1HE MET 36 -1.056 7.835 -2.990 267 HE3 MET 36 2HE MET 36 -2.629 7.737 -2.205 268 H ARG 37 H ARG 37 3.811 10.879 -0.577 269 HA ARG 37 HA ARG 37 3.551 13.020 -2.482 270 HB2 ARG 37 2HB ARG 37 3.443 13.413 -0.065 271 HB3 ARG 37 1HB ARG 37 5.143 12.962 0.071 272 HG2 ARG 37 2HG ARG 37 5.824 14.800 -1.332 273 HG3 ARG 37 1HG ARG 37 4.151 15.170 -1.752 274 HD2 ARG 37 2HD ARG 37 3.666 15.792 0.530 275 HD3 ARG 37 1HD ARG 37 5.272 15.293 1.041 276 HE ARG 37 HE ARG 37 6.158 17.251 0.085 277 HH11 ARG 37 1HH2 ARG 37 2.801 16.826 -0.659 278 HH12 ARG 37 2HH2 ARG 37 2.602 18.425 -1.293 279 HH21 ARG 37 1HH1 ARG 37 5.908 19.332 -0.765 280 HH22 ARG 37 2HH1 ARG 37 4.360 19.847 -1.347 281 H SER 38 H SER 38 6.369 11.295 -1.131 282 HA SER 38 HA SER 38 8.401 12.536 -2.523 283 HB2 SER 38 2HB SER 38 8.196 9.592 -1.853 284 HB3 SER 38 1HB SER 38 9.680 10.447 -2.265 285 HG SER 38 HG SER 38 9.322 10.270 0.008 286 H LEU 39 H LEU 39 6.117 10.137 -3.672 287 HA LEU 39 HA LEU 39 7.480 9.530 -6.099 288 HB2 LEU 39 2HB LEU 39 4.635 9.174 -5.169 289 HB3 LEU 39 1HB LEU 39 5.169 8.666 -6.769 290 HG LEU 39 HG LEU 39 6.619 7.797 -4.257 291 HD11 LEU 39 1HD1 LEU 39 5.294 5.622 -4.590 292 HD12 LEU 39 2HD1 LEU 39 4.199 6.568 -5.599 293 HD13 LEU 39 3HD1 LEU 39 4.404 6.977 -3.898 294 HD21 LEU 39 3HD2 LEU 39 6.530 6.872 -7.145 295 HD22 LEU 39 1HD2 LEU 39 7.117 5.817 -5.862 296 HD23 LEU 39 2HD2 LEU 39 7.936 7.336 -6.190 297 H GLY 40 H GLY 40 5.779 12.267 -5.088 298 HA2 GLY 40 2HA GLY 40 5.594 14.281 -6.257 299 HA3 GLY 40 1HA GLY 40 5.974 13.433 -7.749 300 H GLN 41 H GLN 41 3.474 12.183 -5.658 301 HA GLN 41 HA GLN 41 1.492 12.721 -7.754 302 HB2 GLN 41 2HB GLN 41 1.714 10.437 -6.790 303 HB3 GLN 41 1HB GLN 41 1.234 11.083 -5.223 304 HG2 GLN 41 2HG GLN 41 -0.702 10.093 -6.354 305 HG3 GLN 41 1HG GLN 41 -0.916 11.830 -6.187 306 HE21 GLN 41 1HE2 GLN 41 0.741 9.717 -8.641 307 HE22 GLN 41 2HE2 GLN 41 -0.000 10.469 -9.973 308 H ASN 42 H ASN 42 -0.383 13.876 -7.455 309 HA ASN 42 HA ASN 42 -0.412 16.198 -6.071 310 HB2 ASN 42 2HB ASN 42 -2.610 14.383 -6.995 311 HB3 ASN 42 1HB ASN 42 -3.034 15.836 -6.109 312 HD21 ASN 42 1HD2 ASN 42 -3.750 17.267 -7.717 313 HD22 ASN 42 2HD2 ASN 42 -2.870 17.649 -9.117 314 HA PRO 43 HA PRO 43 -0.922 15.397 -1.765 315 HB2 PRO 43 2HB PRO 43 -2.618 17.468 -1.022 316 HB3 PRO 43 1HB PRO 43 -0.880 17.662 -1.320 317 HG2 PRO 43 2HG PRO 43 -3.184 18.256 -3.124 318 HG3 PRO 43 1HG PRO 43 -1.686 19.169 -2.872 319 HD2 PRO 43 2HD PRO 43 -2.045 17.582 -5.039 320 HD3 PRO 43 1HD PRO 43 -0.452 17.795 -4.295 321 H THR 44 H THR 44 -2.082 13.837 -0.834 322 HA THR 44 HA THR 44 -4.976 13.919 -0.773 323 HB THR 44 HB THR 44 -4.388 12.828 -2.978 324 HG1 THR 44 1HG THR 44 -6.270 12.052 -2.556 325 HG21 THR 44 3HG2 THR 44 -3.444 10.629 -2.994 326 HG22 THR 44 1HG2 THR 44 -3.503 10.521 -1.235 327 HG23 THR 44 2HG2 THR 44 -2.370 11.626 -2.013 328 H GLU 45 H GLU 45 -2.339 13.664 0.857 329 HA GLU 45 HA GLU 45 -2.291 11.252 2.265 330 HB2 GLU 45 2HB GLU 45 -0.526 12.913 2.494 331 HB3 GLU 45 1HB GLU 45 -1.654 14.060 3.210 332 HG2 GLU 45 2HG GLU 45 -1.981 12.593 5.134 333 HG3 GLU 45 1HG GLU 45 -0.959 11.360 4.401 334 H ALA 46 H ALA 46 -4.627 13.754 2.250 335 HA ALA 46 HA ALA 46 -5.721 13.269 4.872 336 HB1 ALA 46 1HB ALA 46 -6.000 15.426 3.694 337 HB2 ALA 46 2HB ALA 46 -7.549 14.710 4.133 338 HB3 ALA 46 3HB ALA 46 -6.975 14.615 2.469 339 H GLU 47 H GLU 47 -6.538 12.336 1.565 340 HA GLU 47 HA GLU 47 -8.897 10.925 2.015 341 HB2 GLU 47 2HB GLU 47 -6.678 10.647 -0.006 342 HB3 GLU 47 1HB GLU 47 -8.055 9.552 -0.030 343 HG2 GLU 47 2HG GLU 47 -9.591 11.474 -0.240 344 HG3 GLU 47 1HG GLU 47 -8.229 12.586 -0.144 345 H LEU 48 H LEU 48 -5.549 9.729 1.989 346 HA LEU 48 HA LEU 48 -6.133 7.063 2.684 347 HB2 LEU 48 2HB LEU 48 -3.733 8.835 2.800 348 HB3 LEU 48 1HB LEU 48 -3.655 7.297 3.661 349 HG LEU 48 HG LEU 48 -2.773 7.135 1.322 350 HD11 LEU 48 1HD1 LEU 48 -5.291 5.538 1.163 351 HD12 LEU 48 2HD1 LEU 48 -4.323 5.306 2.619 352 HD13 LEU 48 3HD1 LEU 48 -3.614 5.025 1.034 353 HD21 LEU 48 3HD2 LEU 48 -4.365 8.897 0.431 354 HD22 LEU 48 1HD2 LEU 48 -5.637 7.676 0.485 355 HD23 LEU 48 2HD2 LEU 48 -4.244 7.446 -0.563 356 H GLN 49 H GLN 49 -5.103 9.787 4.729 357 HA GLN 49 HA GLN 49 -5.044 8.615 7.201 358 HB2 GLN 49 2HB GLN 49 -5.995 11.317 6.291 359 HB3 GLN 49 1HB GLN 49 -6.088 10.889 7.998 360 HG2 GLN 49 2HG GLN 49 -3.731 10.547 8.133 361 HG3 GLN 49 1HG GLN 49 -3.544 10.624 6.384 362 HE21 GLN 49 1HE2 GLN 49 -1.913 12.385 7.463 363 HE22 GLN 49 2HE2 GLN 49 -2.539 13.963 7.501 364 H ASP 50 H ASP 50 -7.942 9.723 5.492 365 HA ASP 50 HA ASP 50 -9.750 8.986 7.577 366 HB2 ASP 50 2HB ASP 50 -10.138 10.681 5.714 367 HB3 ASP 50 1HB ASP 50 -10.427 9.303 4.654 368 H MET 51 H MET 51 -8.568 7.379 4.641 369 HA MET 51 HA MET 51 -10.365 5.165 4.801 370 HB2 MET 51 2HB MET 51 -7.730 5.546 3.375 371 HB3 MET 51 1HB MET 51 -8.728 4.106 3.205 372 HG2 MET 51 2HG MET 51 -9.730 6.913 2.660 373 HG3 MET 51 1HG MET 51 -9.113 5.836 1.407 374 HE1 MET 51 3HE MET 51 -12.452 7.108 1.969 375 HE2 MET 51 1HE MET 51 -12.863 5.907 0.738 376 HE3 MET 51 2HE MET 51 -11.356 6.813 0.622 377 H ILE 52 H ILE 52 -6.947 5.569 5.733 378 HA ILE 52 HA ILE 52 -6.571 2.963 6.707 379 HB ILE 52 HB ILE 52 -5.210 5.577 7.402 380 HG12 ILE 52 2HG1 ILE 52 -4.464 3.201 5.656 381 HG13 ILE 52 1HG1 ILE 52 -4.896 4.818 5.099 382 HG21 ILE 52 1HG2 ILE 52 -4.951 4.019 9.298 383 HG22 ILE 52 2HG2 ILE 52 -3.433 4.156 8.431 384 HG23 ILE 52 3HG2 ILE 52 -4.455 2.749 8.189 385 HD11 ILE 52 3HD1 ILE 52 -2.448 4.025 6.695 386 HD12 ILE 52 1HD1 ILE 52 -2.925 5.697 6.409 387 HD13 ILE 52 2HD1 ILE 52 -2.492 4.666 5.050 388 H ASN 53 H ASN 53 -7.657 5.932 8.284 389 HA ASN 53 HA ASN 53 -7.802 4.999 10.919 390 HB2 ASN 53 2HB ASN 53 -8.012 7.354 10.405 391 HB3 ASN 53 1HB ASN 53 -9.481 7.060 9.479 392 HD21 ASN 53 1HD2 ASN 53 -8.163 6.705 12.811 393 HD22 ASN 53 2HD2 ASN 53 -9.660 6.923 13.583 394 H GLU 54 H GLU 54 -9.666 4.129 8.185 395 HA GLU 54 HA GLU 54 -11.935 3.181 9.810 396 HB2 GLU 54 2HB GLU 54 -12.380 4.443 7.713 397 HB3 GLU 54 1HB GLU 54 -11.582 3.160 6.802 398 HG2 GLU 54 2HG GLU 54 -13.217 1.525 7.633 399 HG3 GLU 54 1HG GLU 54 -13.997 2.774 8.598 400 H VAL 55 H VAL 55 -9.898 1.832 7.182 401 HA VAL 55 HA VAL 55 -10.654 -0.840 7.633 402 HB VAL 55 HB VAL 55 -8.618 -1.408 6.293 403 HG11 VAL 55 1HG1 VAL 55 -10.300 0.875 5.215 404 HG12 VAL 55 2HG1 VAL 55 -10.799 -0.817 5.252 405 HG13 VAL 55 3HG1 VAL 55 -9.432 -0.321 4.252 406 HG21 VAL 55 3HG2 VAL 55 -8.175 1.532 5.876 407 HG22 VAL 55 1HG2 VAL 55 -7.048 0.201 5.653 408 HG23 VAL 55 2HG2 VAL 55 -7.433 0.772 7.277 409 H ASP 56 H ASP 56 -9.131 0.994 9.843 410 HA ASP 56 HA ASP 56 -7.040 -0.833 10.664 411 HB2 ASP 56 2HB ASP 56 -7.033 1.677 11.038 412 HB3 ASP 56 1HB ASP 56 -8.237 1.405 12.295 413 H ALA 57 H ALA 57 -7.341 -2.635 11.778 414 HA ALA 57 HA ALA 57 -9.889 -3.442 12.755 415 HB1 ALA 57 1HB ALA 57 -7.121 -4.605 13.026 416 HB2 ALA 57 2HB ALA 57 -8.428 -5.139 11.971 417 HB3 ALA 57 3HB ALA 57 -8.550 -5.377 13.715 418 H ASP 58 H ASP 58 -6.881 -2.514 14.464 419 HA ASP 58 HA ASP 58 -8.278 -2.628 17.040 420 HB2 ASP 58 2HB ASP 58 -5.408 -2.040 16.292 421 HB3 ASP 58 1HB ASP 58 -6.018 -2.002 17.944 422 H GLY 59 H GLY 59 -7.806 -0.341 14.619 423 HA2 GLY 59 2HA GLY 59 -8.417 1.908 14.560 424 HA3 GLY 59 1HA GLY 59 -8.841 1.795 16.266 425 H ASN 60 H ASN 60 -5.743 0.726 15.175 426 HA ASN 60 HA ASN 60 -4.373 2.596 16.884 427 HB2 ASN 60 2HB ASN 60 -3.499 0.340 15.076 428 HB3 ASN 60 1HB ASN 60 -2.340 1.365 15.919 429 HD21 ASN 60 1HD2 ASN 60 -2.812 -1.533 16.385 430 HD22 ASN 60 2HD2 ASN 60 -3.296 -1.678 18.006 431 H GLY 61 H GLY 61 -5.467 2.633 13.705 432 HA2 GLY 61 2HA GLY 61 -5.285 4.319 12.121 433 HA3 GLY 61 1HA GLY 61 -4.071 5.095 13.131 434 H THR 62 H THR 62 -3.590 1.758 12.499 435 HA THR 62 HA THR 62 -1.685 2.343 10.310 436 HB THR 62 HB THR 62 -0.043 0.897 11.343 437 HG1 THR 62 1HG THR 62 -1.824 -0.327 12.442 438 HG21 THR 62 3HG2 THR 62 -0.106 3.295 12.000 439 HG22 THR 62 1HG2 THR 62 0.538 2.263 13.276 440 HG23 THR 62 2HG2 THR 62 -1.117 2.863 13.380 441 H ILE 63 H ILE 63 -1.113 0.495 9.010 442 HA ILE 63 HA ILE 63 -3.302 -1.497 8.852 443 HB ILE 63 HB ILE 63 -1.268 -0.780 6.735 444 HG12 ILE 63 2HG1 ILE 63 -2.589 1.204 7.177 445 HG13 ILE 63 1HG1 ILE 63 -3.181 0.471 5.686 446 HG21 ILE 63 1HG2 ILE 63 -2.218 -2.944 6.346 447 HG22 ILE 63 2HG2 ILE 63 -3.045 -1.820 5.269 448 HG23 ILE 63 3HG2 ILE 63 -3.836 -2.369 6.747 449 HD11 ILE 63 3HD1 ILE 63 -4.875 -0.764 7.234 450 HD12 ILE 63 1HD1 ILE 63 -5.152 0.938 6.875 451 HD13 ILE 63 2HD1 ILE 63 -4.445 0.464 8.419 452 H ASP 64 H ASP 64 -2.886 -3.432 9.584 453 HA ASP 64 HA ASP 64 -0.192 -4.286 10.170 454 HB2 ASP 64 2HB ASP 64 -2.831 -5.733 10.457 455 HB3 ASP 64 1HB ASP 64 -1.289 -6.274 11.113 456 H PHE 65 H PHE 65 0.251 -6.706 9.675 457 HA PHE 65 HA PHE 65 0.875 -6.986 6.994 458 HB2 PHE 65 2HB PHE 65 2.127 -8.415 8.315 459 HB3 PHE 65 1HB PHE 65 0.770 -8.825 9.350 460 HD1 PHE 65 2HD PHE 65 1.056 -8.946 5.638 461 HD2 PHE 65 1HD PHE 65 0.607 -11.209 9.252 462 HE1 PHE 65 2HE PHE 65 0.681 -10.993 4.302 463 HE2 PHE 65 1HE PHE 65 0.222 -13.260 7.913 464 HZ PHE 65 HZ PHE 65 0.265 -13.152 5.434 465 HA PRO 66 HA PRO 66 -2.777 -10.142 6.415 466 HB2 PRO 66 2HB PRO 66 -4.922 -9.706 8.182 467 HB3 PRO 66 1HB PRO 66 -3.708 -10.989 8.335 468 HG2 PRO 66 2HG PRO 66 -3.832 -8.331 9.690 469 HG3 PRO 66 1HG PRO 66 -3.332 -9.907 10.335 470 HD2 PRO 66 2HD PRO 66 -1.526 -8.066 9.671 471 HD3 PRO 66 1HD PRO 66 -1.229 -9.786 9.369 472 H GLU 67 H GLU 67 -3.888 -7.068 7.810 473 HA GLU 67 HA GLU 67 -6.059 -6.601 6.145 474 HB2 GLU 67 2HB GLU 67 -4.136 -4.652 7.423 475 HB3 GLU 67 1HB GLU 67 -5.658 -4.185 6.662 476 HG2 GLU 67 2HG GLU 67 -6.906 -5.586 8.207 477 HG3 GLU 67 1HG GLU 67 -5.412 -6.177 8.930 478 H PHE 68 H PHE 68 -2.667 -5.625 5.694 479 HA PHE 68 HA PHE 68 -3.025 -4.245 3.275 480 HB2 PHE 68 2HB PHE 68 -0.997 -4.181 4.746 481 HB3 PHE 68 1HB PHE 68 -0.564 -5.771 4.118 482 HD1 PHE 68 1HD PHE 68 -0.301 -6.050 1.589 483 HD2 PHE 68 2HD PHE 68 -0.516 -2.217 3.513 484 HE1 PHE 68 1HE PHE 68 0.716 -4.996 -0.403 485 HE2 PHE 68 2HE PHE 68 0.500 -1.160 1.511 486 HZ PHE 68 HZ PHE 68 1.110 -2.556 -0.447 487 H LEU 69 H LEU 69 -1.572 -7.462 3.701 488 HA LEU 69 HA LEU 69 -1.484 -8.276 1.094 489 HB2 LEU 69 2HB LEU 69 -0.490 -9.666 2.699 490 HB3 LEU 69 1HB LEU 69 -1.974 -9.801 3.643 491 HG LEU 69 HG LEU 69 -2.088 -10.799 0.811 492 HD11 LEU 69 1HD1 LEU 69 0.094 -11.649 1.600 493 HD12 LEU 69 2HD1 LEU 69 -1.083 -12.947 1.397 494 HD13 LEU 69 3HD1 LEU 69 -0.702 -12.348 3.010 495 HD21 LEU 69 3HD2 LEU 69 -3.933 -10.858 2.709 496 HD22 LEU 69 1HD2 LEU 69 -3.024 -12.245 3.292 497 HD23 LEU 69 2HD2 LEU 69 -3.718 -12.263 1.672 498 H THR 70 H THR 70 -4.306 -7.898 3.107 499 HA THR 70 HA THR 70 -6.019 -9.438 1.340 500 HB THR 70 HB THR 70 -6.617 -7.717 3.743 501 HG1 THR 70 1HG THR 70 -6.945 -9.835 4.657 502 HG21 THR 70 3HG2 THR 70 -8.789 -9.084 3.658 503 HG22 THR 70 1HG2 THR 70 -8.344 -9.466 1.995 504 HG23 THR 70 2HG2 THR 70 -8.620 -7.790 2.470 505 H MET 71 H MET 71 -6.423 -6.114 2.560 506 HA MET 71 HA MET 71 -8.171 -5.269 0.601 507 HB2 MET 71 2HB MET 71 -7.764 -3.042 1.296 508 HB3 MET 71 1HB MET 71 -7.526 -4.045 2.722 509 HG2 MET 71 2HG MET 71 -5.095 -4.003 2.351 510 HG3 MET 71 1HG MET 71 -5.305 -2.991 0.929 511 HE1 MET 71 3HE MET 71 -6.516 -3.265 4.655 512 HE2 MET 71 1HE MET 71 -5.623 -1.899 5.330 513 HE3 MET 71 2HE MET 71 -4.758 -3.233 4.573 514 H MET 72 H MET 72 -4.843 -5.959 0.213 515 HA MET 72 HA MET 72 -4.544 -4.251 -2.138 516 HB2 MET 72 2HB MET 72 -2.285 -4.747 -2.089 517 HB3 MET 72 1HB MET 72 -2.718 -4.812 -0.385 518 HG2 MET 72 2HG MET 72 -1.514 -6.773 -0.646 519 HG3 MET 72 1HG MET 72 -3.152 -7.359 -0.880 520 HE1 MET 72 3HE MET 72 0.414 -7.395 -2.437 521 HE2 MET 72 1HE MET 72 -0.186 -5.731 -2.431 522 HE3 MET 72 2HE MET 72 0.114 -6.556 -3.958 523 H ALA 73 H ALA 73 -5.247 -7.563 -1.349 524 HA ALA 73 HA ALA 73 -4.765 -8.619 -3.988 525 HB1 ALA 73 1HB ALA 73 -6.006 -10.625 -3.001 526 HB2 ALA 73 2HB ALA 73 -6.074 -9.706 -1.494 527 HB3 ALA 73 3HB ALA 73 -4.514 -10.149 -2.189 528 H ARG 74 H ARG 74 -6.828 -6.386 -3.386 529 HA ARG 74 HA ARG 74 -9.325 -7.603 -4.243 530 HB2 ARG 74 2HB ARG 74 -8.567 -4.705 -3.799 531 HB3 ARG 74 1HB ARG 74 -10.199 -5.298 -4.093 532 HG2 ARG 74 2HG ARG 74 -8.564 -6.447 -1.827 533 HG3 ARG 74 1HG ARG 74 -9.410 -4.916 -1.614 534 HD2 ARG 74 2HD ARG 74 -10.671 -7.564 -2.396 535 HD3 ARG 74 1HD ARG 74 -10.826 -6.752 -0.845 536 HE ARG 74 HE ARG 74 -12.183 -6.039 -3.318 537 HH11 ARG 74 1HH2 ARG 74 -11.201 -5.132 -0.125 538 HH12 ARG 74 2HH2 ARG 74 -12.397 -3.892 0.037 539 HH21 ARG 74 1HH1 ARG 74 -13.756 -4.408 -3.105 540 HH22 ARG 74 2HH1 ARG 74 -13.838 -3.482 -1.643 541 H LYS 75 H LYS 75 -6.633 -7.134 -5.852 542 HA LYS 75 HA LYS 75 -7.256 -5.555 -8.098 543 HB2 LYS 75 2HB LYS 75 -5.387 -7.909 -7.757 544 HB3 LYS 75 1HB LYS 75 -5.463 -6.924 -9.219 545 HG2 LYS 75 2HG LYS 75 -4.846 -4.930 -7.987 546 HG3 LYS 75 1HG LYS 75 -4.963 -5.787 -6.452 547 HD2 LYS 75 2HD LYS 75 -2.638 -5.731 -6.931 548 HD3 LYS 75 1HD LYS 75 -3.146 -7.358 -7.374 549 HE2 LYS 75 2HE LYS 75 -3.200 -6.786 -9.714 550 HE3 LYS 75 1HE LYS 75 -2.972 -5.075 -9.358 551 HZ1 LYS 75 3HZ LYS 75 -0.984 -7.011 -8.411 552 HZ2 LYS 75 1HZ LYS 75 -0.783 -5.381 -8.832 553 HZ3 LYS 75 2HZ LYS 75 -0.970 -6.554 -10.047 554 H MET 76 H MET 76 -6.957 -6.997 -10.347 555 HA MET 76 HA MET 76 -9.559 -8.248 -10.646 556 HB2 MET 76 2HB MET 76 -7.350 -7.843 -12.680 557 HB3 MET 76 1HB MET 76 -9.024 -8.266 -13.028 558 HG2 MET 76 2HG MET 76 -8.109 -5.709 -11.674 559 HG3 MET 76 1HG MET 76 -8.617 -5.843 -13.354 560 HE1 MET 76 3HE MET 76 -12.270 -6.274 -13.424 561 HE2 MET 76 1HE MET 76 -11.282 -7.738 -13.336 562 HE3 MET 76 2HE MET 76 -10.703 -6.333 -14.224 563 H LYS 77 H LYS 77 -6.170 -9.170 -10.995 564 HA LYS 77 HA LYS 77 -6.884 -11.999 -10.539 565 HB2 LYS 77 2HB LYS 77 -6.684 -11.580 -13.008 566 HB3 LYS 77 1HB LYS 77 -5.016 -11.074 -12.742 567 HG2 LYS 77 2HG LYS 77 -4.471 -13.276 -11.807 568 HG3 LYS 77 1HG LYS 77 -6.144 -13.794 -11.998 569 HD2 LYS 77 2HD LYS 77 -4.654 -12.775 -14.412 570 HD3 LYS 77 1HD LYS 77 -4.333 -14.408 -13.840 571 HE2 LYS 77 2HE LYS 77 -7.151 -13.436 -14.337 572 HE3 LYS 77 1HE LYS 77 -6.171 -14.141 -15.619 573 HZ1 LYS 77 3HZ LYS 77 -7.674 -15.495 -13.767 574 HZ2 LYS 77 1HZ LYS 77 -6.073 -15.717 -13.254 575 HZ3 LYS 77 2HZ LYS 77 -6.529 -16.163 -14.828 576 H1 GLY 45 1HT GLY 45 -12.356 9.903 -9.721 577 H2 GLY 45 2HT GLY 45 -12.922 10.610 -8.284 578 H3 GLY 45 3HT GLY 45 -13.600 9.156 -8.845 579 HA2 GLY 45 2HA GLY 45 -11.335 8.130 -8.596 580 HA3 GLY 45 1HA GLY 45 -10.902 9.592 -7.707 581 H THR 46 H THR 46 -11.312 9.621 -5.570 582 HA THR 46 HA THR 46 -11.871 8.740 -3.502 583 HB THR 46 HB THR 46 -14.278 8.756 -3.083 584 HG1 THR 46 1HG THR 46 -15.595 9.189 -5.024 585 HG21 THR 46 3HG2 THR 46 -13.305 10.944 -3.216 586 HG22 THR 46 1HG2 THR 46 -14.822 11.007 -4.114 587 HG23 THR 46 2HG2 THR 46 -13.289 10.897 -4.980 588 H GLY 47 H GLY 47 -10.677 6.741 -4.011 589 HA2 GLY 47 2HA GLY 47 -12.352 4.417 -3.573 590 HA3 GLY 47 1HA GLY 47 -11.494 4.406 -5.111 591 H ALA 48 H ALA 48 -11.338 3.507 -1.928 592 HA ALA 48 HA ALA 48 -8.653 3.919 -1.195 593 HB1 ALA 48 1HB ALA 48 -10.758 1.931 -0.373 594 HB2 ALA 48 2HB ALA 48 -10.152 3.326 0.517 595 HB3 ALA 48 3HB ALA 48 -9.139 1.896 0.326 596 H ALA 49 H ALA 49 -10.183 1.215 -2.936 597 HA ALA 49 HA ALA 49 -7.970 -0.525 -2.972 598 HB1 ALA 49 1HB ALA 49 -10.304 -0.168 -4.856 599 HB2 ALA 49 2HB ALA 49 -10.104 -1.385 -3.597 600 HB3 ALA 49 3HB ALA 49 -9.110 -1.451 -5.052 601 H LEU 50 H LEU 50 -9.004 1.940 -5.315 602 HA LEU 50 HA LEU 50 -6.935 1.505 -7.176 603 HB2 LEU 50 2HB LEU 50 -9.176 2.959 -7.261 604 HB3 LEU 50 1HB LEU 50 -8.089 4.254 -6.776 605 HG LEU 50 HG LEU 50 -8.195 4.231 -9.191 606 HD11 LEU 50 1HD1 LEU 50 -5.897 4.172 -9.700 607 HD12 LEU 50 2HD1 LEU 50 -5.592 2.857 -8.572 608 HD13 LEU 50 3HD1 LEU 50 -5.931 4.479 -7.965 609 HD21 LEU 50 3HD2 LEU 50 -7.018 1.503 -9.504 610 HD22 LEU 50 1HD2 LEU 50 -8.200 2.343 -10.505 611 HD23 LEU 50 2HD2 LEU 50 -8.713 1.547 -9.022 612 H SER 51 H SER 51 -7.228 3.679 -4.414 613 HA SER 51 HA SER 51 -4.900 5.173 -4.716 614 HB2 SER 51 2HB SER 51 -6.192 4.164 -2.172 615 HB3 SER 51 1HB SER 51 -5.018 5.475 -2.262 616 HG SER 51 HG SER 51 -6.543 6.751 -2.949 617 H TRP 52 H TRP 52 -5.402 2.046 -3.144 618 HA TRP 52 HA TRP 52 -2.709 1.705 -2.300 619 HB2 TRP 52 2HB TRP 52 -5.086 -0.111 -2.629 620 HB3 TRP 52 1HB TRP 52 -3.510 -0.781 -2.213 621 HD1 TRP 52 HD TRP 52 -6.516 0.377 -0.600 622 HE1 TRP 52 1HE TRP 52 -6.095 1.078 1.844 623 HE3 TRP 52 3HE TRP 52 -1.414 0.731 -0.639 624 HZ2 TRP 52 2HZ TRP 52 -3.899 1.698 3.559 625 HZ3 TRP 52 3HZ TRP 52 -0.187 1.367 1.412 626 HH2 TRP 52 HH TRP 52 -1.413 1.858 3.511 627 H GLN 53 H GLN 53 -4.546 0.487 -5.103 628 HA GLN 53 HA GLN 53 -2.479 -1.040 -6.246 629 HB2 GLN 53 2HB GLN 53 -4.838 -1.223 -6.928 630 HB3 GLN 53 1HB GLN 53 -4.756 0.390 -7.637 631 HG2 GLN 53 2HG GLN 53 -3.105 -0.328 -9.246 632 HG3 GLN 53 1HG GLN 53 -2.940 -1.892 -8.454 633 HE21 GLN 53 1HE2 GLN 53 -3.655 -1.726 -11.211 634 HE22 GLN 53 2HE2 GLN 53 -5.258 -2.259 -11.386 635 H ALA 54 H ALA 54 -3.439 2.349 -6.871 636 HA ALA 54 HA ALA 54 -1.514 2.853 -8.877 637 HB1 ALA 54 1HB ALA 54 -3.541 4.262 -8.309 638 HB2 ALA 54 2HB ALA 54 -2.051 5.161 -8.598 639 HB3 ALA 54 3HB ALA 54 -2.617 4.899 -6.948 640 H ALA 55 H ALA 55 -1.376 3.157 -5.351 641 HA ALA 55 HA ALA 55 1.114 4.504 -5.205 642 HB1 ALA 55 1HB ALA 55 1.149 3.688 -2.863 643 HB2 ALA 55 2HB ALA 55 -0.222 2.641 -3.228 644 HB3 ALA 55 3HB ALA 55 -0.408 4.393 -3.300 645 H ILE 56 H ILE 56 0.254 1.068 -5.250 646 HA ILE 56 HA ILE 56 2.848 0.034 -4.773 647 HB ILE 56 HB ILE 56 0.425 -1.128 -6.164 648 HG12 ILE 56 2HG1 ILE 56 1.622 -1.802 -3.467 649 HG13 ILE 56 1HG1 ILE 56 0.392 -0.554 -3.667 650 HG21 ILE 56 1HG2 ILE 56 1.659 -3.334 -5.675 651 HG22 ILE 56 2HG2 ILE 56 3.110 -2.347 -5.498 652 HG23 ILE 56 3HG2 ILE 56 2.247 -2.380 -7.036 653 HD11 ILE 56 3HD1 ILE 56 -1.201 -2.142 -4.509 654 HD12 ILE 56 1HD1 ILE 56 -0.495 -2.860 -3.062 655 HD13 ILE 56 2HD1 ILE 56 0.032 -3.393 -4.658 656 H ASP 57 H ASP 57 1.078 0.761 -7.760 657 HA ASP 57 HA ASP 57 2.982 -0.204 -9.590 658 HB2 ASP 57 2HB ASP 57 0.642 0.414 -10.150 659 HB3 ASP 57 1HB ASP 57 1.067 2.112 -9.945 660 H ALA 58 H ALA 58 2.505 3.079 -8.288 661 HA ALA 58 HA ALA 58 4.708 4.233 -9.658 662 HB1 ALA 58 1HB ALA 58 3.147 5.065 -7.211 663 HB2 ALA 58 2HB ALA 58 3.028 5.707 -8.848 664 HB3 ALA 58 3HB ALA 58 4.460 6.035 -7.875 665 H ALA 59 H ALA 59 4.356 2.687 -6.498 666 HA ALA 59 HA ALA 59 6.909 3.352 -5.468 667 HB1 ALA 59 1HB ALA 59 6.521 1.352 -3.980 668 HB2 ALA 59 2HB ALA 59 5.052 1.027 -4.903 669 HB3 ALA 59 3HB ALA 59 5.202 2.522 -3.981 670 H ARG 60 H ARG 60 5.733 0.643 -7.405 671 HA ARG 60 HA ARG 60 8.109 -0.876 -7.385 672 HB2 ARG 60 2HB ARG 60 5.602 -1.327 -8.270 673 HB3 ARG 60 1HB ARG 60 6.354 -0.928 -9.812 674 HG2 ARG 60 2HG ARG 60 7.324 -3.040 -7.863 675 HG3 ARG 60 1HG ARG 60 6.476 -3.351 -9.379 676 HD2 ARG 60 2HD ARG 60 8.382 -1.992 -10.489 677 HD3 ARG 60 1HD ARG 60 9.233 -2.214 -8.964 678 HE ARG 60 HE ARG 60 9.403 -4.509 -9.403 679 HH11 ARG 60 1HH2 ARG 60 7.492 -2.857 -11.790 680 HH12 ARG 60 2HH2 ARG 60 7.601 -4.142 -12.947 681 HH21 ARG 60 1HH1 ARG 60 9.533 -6.172 -10.902 682 HH22 ARG 60 2HH1 ARG 60 8.751 -6.023 -12.441 683 H GLN 61 H GLN 61 6.889 1.580 -9.653 684 HA GLN 61 HA GLN 61 8.996 1.409 -11.519 685 HB2 GLN 61 2HB GLN 61 6.881 2.591 -11.987 686 HB3 GLN 61 1HB GLN 61 7.299 3.814 -10.787 687 HG2 GLN 61 2HG GLN 61 9.251 4.483 -12.070 688 HG3 GLN 61 1HG GLN 61 8.996 3.168 -13.215 689 HE21 GLN 61 1HE2 GLN 61 8.677 6.409 -13.090 690 HE22 GLN 61 2HE2 GLN 61 7.292 6.624 -14.049 691 H ALA 62 H ALA 62 8.562 3.355 -8.595 692 HA ALA 62 HA ALA 62 10.890 4.927 -8.819 693 HB1 ALA 62 1HB ALA 62 9.330 3.988 -6.401 694 HB2 ALA 62 2HB ALA 62 9.184 5.536 -7.234 695 HB3 ALA 62 3HB ALA 62 10.646 5.160 -6.321 696 H LYS 63 H LYS 63 10.311 1.812 -7.200 697 HA LYS 63 HA LYS 63 12.920 1.483 -6.164 698 HB2 LYS 63 2HB LYS 63 10.939 0.167 -5.432 699 HB3 LYS 63 1HB LYS 63 10.950 -0.670 -6.985 700 HG2 LYS 63 2HG LYS 63 13.216 -1.513 -6.532 701 HG3 LYS 63 1HG LYS 63 13.242 -0.649 -4.996 702 HD2 LYS 63 2HD LYS 63 11.298 -1.966 -4.223 703 HD3 LYS 63 1HD LYS 63 11.288 -2.842 -5.753 704 HE2 LYS 63 2HE LYS 63 13.571 -3.666 -5.295 705 HE3 LYS 63 1HE LYS 63 13.574 -2.799 -3.760 706 HZ1 LYS 63 3HZ LYS 63 11.235 -4.343 -3.948 707 HZ2 LYS 63 1HZ LYS 63 12.498 -4.469 -2.822 708 HZ3 LYS 63 2HZ LYS 63 12.571 -5.339 -4.282 709 H LEU 64 H LEU 64 11.420 0.442 -9.212 710 HA LEU 64 HA LEU 64 13.592 -1.050 -10.173 711 HB2 LEU 64 2HB LEU 64 11.098 -0.727 -11.052 712 HB3 LEU 64 1HB LEU 64 11.845 0.499 -12.072 713 HG LEU 64 HG LEU 64 11.835 -1.598 -13.290 714 HD11 LEU 64 1HD1 LEU 64 13.919 -0.073 -13.284 715 HD12 LEU 64 2HD1 LEU 64 14.125 -1.715 -13.891 716 HD13 LEU 64 3HD1 LEU 64 14.657 -1.309 -12.264 717 HD21 LEU 64 3HD2 LEU 64 11.984 -2.851 -10.841 718 HD22 LEU 64 1HD2 LEU 64 13.644 -3.043 -11.408 719 HD23 LEU 64 2HD2 LEU 64 12.303 -3.651 -12.374 720 H MET 65 H MET 65 12.689 2.331 -10.873 721 HA MET 65 HA MET 65 14.998 2.869 -12.440 722 HB2 MET 65 2HB MET 65 13.052 4.695 -11.025 723 HB3 MET 65 1HB MET 65 14.339 5.269 -12.084 724 HG2 MET 65 2HG MET 65 13.427 3.912 -13.937 725 HG3 MET 65 1HG MET 65 12.139 3.336 -12.879 726 HE1 MET 65 3HE MET 65 13.213 5.852 -15.427 727 HE2 MET 65 1HE MET 65 13.972 6.561 -13.996 728 HE3 MET 65 2HE MET 65 12.683 7.422 -14.831 729 H GLY 66 H GLY 66 14.259 3.244 -9.009 730 HA2 GLY 66 2HA GLY 66 15.810 3.237 -7.253 731 HA3 GLY 66 1HA GLY 66 17.108 3.475 -8.415 732 H SER 67 H SER 67 14.512 5.619 -8.912 733 HA SER 67 HA SER 67 16.119 7.879 -8.111 734 HB2 SER 67 2HB SER 67 14.519 9.207 -9.180 735 HB3 SER 67 1HB SER 67 14.424 7.700 -10.086 736 HG SER 67 HG SER 67 12.571 7.193 -9.062 737 H ALA 68 H ALA 68 15.249 9.609 -6.712 738 HA ALA 68 HA ALA 68 14.556 10.345 -4.654 739 HB1 ALA 68 1HB ALA 68 12.378 8.264 -4.860 740 HB2 ALA 68 2HB ALA 68 12.334 9.785 -5.750 741 HB3 ALA 68 3HB ALA 68 12.335 9.795 -3.986 Start of MODEL 18 1 H1 ALA 1 1HT ALA 1 -10.686 -16.917 -13.407 2 H2 ALA 1 2HT ALA 1 -9.022 -16.582 -13.324 3 H3 ALA 1 3HT ALA 1 -10.142 -15.497 -12.651 4 HA ALA 1 HA ALA 1 -10.184 -16.580 -10.729 5 HB1 ALA 1 2HB ALA 1 -10.780 -18.910 -10.590 6 HB2 ALA 1 3HB ALA 1 -10.253 -19.202 -12.249 7 HB3 ALA 1 1HB ALA 1 -11.692 -18.229 -11.937 8 H ASP 2 H ASP 2 -7.944 -15.653 -11.152 9 HA ASP 2 HA ASP 2 -5.761 -17.381 -11.691 10 HB2 ASP 2 2HB ASP 2 -5.995 -14.666 -10.398 11 HB3 ASP 2 1HB ASP 2 -4.443 -15.454 -10.684 12 H GLN 3 H GLN 3 -4.479 -18.571 -10.397 13 HA GLN 3 HA GLN 3 -5.352 -18.990 -7.616 14 HB2 GLN 3 2HB GLN 3 -3.588 -20.580 -9.490 15 HB3 GLN 3 1HB GLN 3 -3.807 -20.990 -7.789 16 HG2 GLN 3 2HG GLN 3 -6.213 -21.226 -8.113 17 HG3 GLN 3 1HG GLN 3 -6.066 -20.710 -9.792 18 HE21 GLN 3 1HE2 GLN 3 -6.349 -23.465 -7.911 19 HE22 GLN 3 2HE2 GLN 3 -5.625 -24.585 -8.962 20 H LEU 4 H LEU 4 -3.967 -18.787 -5.868 21 HA LEU 4 HA LEU 4 -2.086 -16.735 -5.905 22 HB2 LEU 4 2HB LEU 4 -3.330 -18.097 -3.935 23 HB3 LEU 4 1HB LEU 4 -1.754 -18.877 -3.842 24 HG LEU 4 HG LEU 4 -0.862 -16.363 -3.913 25 HD11 LEU 4 1HD1 LEU 4 -3.652 -16.069 -2.769 26 HD12 LEU 4 2HD1 LEU 4 -3.080 -15.364 -4.283 27 HD13 LEU 4 3HD1 LEU 4 -2.397 -14.829 -2.747 28 HD21 LEU 4 3HD2 LEU 4 -2.080 -17.770 -1.529 29 HD22 LEU 4 1HD2 LEU 4 -1.113 -16.303 -1.385 30 HD23 LEU 4 2HD2 LEU 4 -0.393 -17.772 -2.041 31 H THR 5 H THR 5 0.262 -17.135 -5.003 32 HA THR 5 HA THR 5 1.685 -19.446 -5.792 33 HB THR 5 HB THR 5 1.200 -18.700 -8.057 34 HG1 THR 5 1HG THR 5 3.853 -18.090 -7.271 35 HG21 THR 5 3HG2 THR 5 0.754 -16.381 -7.821 36 HG22 THR 5 1HG2 THR 5 2.241 -16.464 -8.763 37 HG23 THR 5 2HG2 THR 5 2.307 -16.076 -7.048 38 H GLU 6 H GLU 6 4.132 -18.956 -5.844 39 HA GLU 6 HA GLU 6 4.905 -17.748 -3.477 40 HB2 GLU 6 2HB GLU 6 6.263 -19.362 -4.855 41 HB3 GLU 6 1HB GLU 6 6.622 -18.036 -5.956 42 HG2 GLU 6 2HG GLU 6 7.680 -16.777 -4.139 43 HG3 GLU 6 1HG GLU 6 7.278 -18.055 -2.995 44 H GLU 7 H GLU 7 5.112 -16.435 -6.757 45 HA GLU 7 HA GLU 7 6.221 -13.984 -6.318 46 HB2 GLU 7 2HB GLU 7 5.579 -14.672 -8.542 47 HB3 GLU 7 1HB GLU 7 3.879 -14.708 -8.091 48 HG2 GLU 7 2HG GLU 7 3.839 -12.324 -7.798 49 HG3 GLU 7 1HG GLU 7 5.580 -12.214 -8.038 50 H GLN 8 H GLN 8 2.679 -14.560 -6.206 51 HA GLN 8 HA GLN 8 1.775 -12.173 -5.404 52 HB2 GLN 8 2HB GLN 8 0.607 -14.506 -5.744 53 HB3 GLN 8 1HB GLN 8 0.726 -14.602 -3.991 54 HG2 GLN 8 2HG GLN 8 -1.407 -13.626 -4.471 55 HG3 GLN 8 1HG GLN 8 -0.380 -12.321 -3.885 56 HE21 GLN 8 1HE2 GLN 8 -1.136 -10.526 -5.059 57 HE22 GLN 8 2HE2 GLN 8 -1.239 -10.475 -6.755 58 H ILE 9 H ILE 9 2.626 -14.716 -2.976 59 HA ILE 9 HA ILE 9 2.282 -13.016 -0.786 60 HB ILE 9 HB ILE 9 3.851 -14.652 0.402 61 HG12 ILE 9 2HG1 ILE 9 3.716 -15.979 -2.321 62 HG13 ILE 9 1HG1 ILE 9 5.163 -15.290 -1.590 63 HG21 ILE 9 1HG2 ILE 9 1.349 -14.881 0.245 64 HG22 ILE 9 2HG2 ILE 9 2.192 -16.425 0.359 65 HG23 ILE 9 3HG2 ILE 9 1.582 -15.867 -1.199 66 HD11 ILE 9 3HD1 ILE 9 4.845 -16.863 0.330 67 HD12 ILE 9 1HD1 ILE 9 5.213 -17.631 -1.206 68 HD13 ILE 9 2HD1 ILE 9 3.562 -17.643 -0.600 69 H ALA 10 H ALA 10 5.306 -13.793 -2.514 70 HA ALA 10 HA ALA 10 7.007 -12.182 -1.008 71 HB1 ALA 10 1HB ALA 10 7.235 -12.651 -3.988 72 HB2 ALA 10 2HB ALA 10 7.627 -13.886 -2.792 73 HB3 ALA 10 3HB ALA 10 8.543 -12.378 -2.835 74 H GLU 11 H GLU 11 4.792 -11.456 -3.613 75 HA GLU 11 HA GLU 11 5.684 -8.854 -4.232 76 HB2 GLU 11 2HB GLU 11 4.027 -10.353 -5.521 77 HB3 GLU 11 1HB GLU 11 2.807 -9.754 -4.406 78 HG2 GLU 11 2HG GLU 11 4.570 -7.838 -5.940 79 HG3 GLU 11 1HG GLU 11 3.113 -8.515 -6.659 80 H PHE 12 H PHE 12 3.182 -9.993 -1.948 81 HA PHE 12 HA PHE 12 2.340 -7.438 -1.156 82 HB2 PHE 12 2HB PHE 12 0.837 -8.682 0.021 83 HB3 PHE 12 1HB PHE 12 1.671 -10.117 -0.562 84 HD1 PHE 12 2HD PHE 12 1.905 -7.517 2.119 85 HD2 PHE 12 1HD PHE 12 2.634 -11.587 1.003 86 HE1 PHE 12 2HE PHE 12 2.641 -8.018 4.412 87 HE2 PHE 12 1HE PHE 12 3.385 -12.090 3.298 88 HZ PHE 12 HZ PHE 12 3.388 -10.309 5.013 89 H LYS 13 H LYS 13 4.871 -9.585 0.097 90 HA LYS 13 HA LYS 13 5.557 -8.083 2.370 91 HB2 LYS 13 2HB LYS 13 6.307 -10.405 1.904 92 HB3 LYS 13 1HB LYS 13 7.370 -9.782 0.644 93 HG2 LYS 13 2HG LYS 13 7.498 -8.769 3.487 94 HG3 LYS 13 1HG LYS 13 8.407 -10.187 2.972 95 HD2 LYS 13 2HD LYS 13 9.082 -8.356 0.986 96 HD3 LYS 13 1HD LYS 13 8.899 -7.308 2.386 97 HE2 LYS 13 2HE LYS 13 10.398 -8.944 3.625 98 HE3 LYS 13 1HE LYS 13 10.750 -9.641 2.042 99 HZ1 LYS 13 3HZ LYS 13 11.154 -7.194 1.388 100 HZ2 LYS 13 1HZ LYS 13 12.369 -8.031 2.224 101 HZ3 LYS 13 2HZ LYS 13 11.358 -6.945 3.056 102 H GLU 14 H GLU 14 6.851 -8.001 -0.951 103 HA GLU 14 HA GLU 14 8.820 -6.052 -0.593 104 HB2 GLU 14 2HB GLU 14 7.075 -6.711 -2.968 105 HB3 GLU 14 1HB GLU 14 8.394 -5.545 -3.049 106 HG2 GLU 14 2HG GLU 14 10.004 -7.252 -2.392 107 HG3 GLU 14 1HG GLU 14 8.718 -8.427 -2.156 108 H ALA 15 H ALA 15 5.468 -5.571 -1.757 109 HA ALA 15 HA ALA 15 5.495 -2.785 -1.811 110 HB1 ALA 15 1HB ALA 15 3.058 -4.353 -1.014 111 HB2 ALA 15 2HB ALA 15 3.716 -4.458 -2.647 112 HB3 ALA 15 3HB ALA 15 3.165 -2.906 -2.019 113 H PHE 16 H PHE 16 4.583 -4.972 0.838 114 HA PHE 16 HA PHE 16 3.844 -3.024 2.699 115 HB2 PHE 16 2HB PHE 16 3.315 -5.069 3.556 116 HB3 PHE 16 1HB PHE 16 4.642 -5.875 2.745 117 HD1 PHE 16 2HD PHE 16 3.876 -3.608 5.639 118 HD2 PHE 16 1HD PHE 16 6.554 -6.504 3.936 119 HE1 PHE 16 2HE PHE 16 5.192 -3.644 7.743 120 HE2 PHE 16 1HE PHE 16 7.867 -6.532 6.031 121 HZ PHE 16 HZ PHE 16 7.188 -5.102 7.922 122 H SER 17 H SER 17 7.019 -4.536 2.205 123 HA SER 17 HA SER 17 8.410 -3.180 4.198 124 HB2 SER 17 2HB SER 17 9.512 -5.029 3.204 125 HB3 SER 17 1HB SER 17 9.295 -4.390 1.577 126 HG SER 17 HG SER 17 10.578 -2.586 3.061 127 H LEU 18 H LEU 18 7.654 -2.232 0.888 128 HA LEU 18 HA LEU 18 9.376 0.026 0.768 129 HB2 LEU 18 2HB LEU 18 6.825 -0.642 -0.698 130 HB3 LEU 18 1HB LEU 18 7.777 0.798 -1.047 131 HG LEU 18 HG LEU 18 8.861 -2.034 -1.130 132 HD11 LEU 18 1HD1 LEU 18 7.275 -1.843 -2.916 133 HD12 LEU 18 2HD1 LEU 18 8.864 -1.609 -3.637 134 HD13 LEU 18 3HD1 LEU 18 7.831 -0.220 -3.320 135 HD21 LEU 18 3HD2 LEU 18 10.588 -0.613 -2.638 136 HD22 LEU 18 1HD2 LEU 18 10.783 -0.777 -0.895 137 HD23 LEU 18 2HD2 LEU 18 10.055 0.684 -1.564 138 H PHE 19 H PHE 19 5.987 -0.306 1.756 139 HA PHE 19 HA PHE 19 5.584 2.474 2.179 140 HB2 PHE 19 2HB PHE 19 4.145 0.071 3.264 141 HB3 PHE 19 1HB PHE 19 3.577 1.725 3.460 142 HD1 PHE 19 2HD PHE 19 3.655 3.114 1.100 143 HD2 PHE 19 1HD PHE 19 3.200 -1.134 1.518 144 HE1 PHE 19 2HE PHE 19 2.632 2.998 -1.145 145 HE2 PHE 19 1HE PHE 19 2.177 -1.252 -0.708 146 HZ PHE 19 HZ PHE 19 1.886 0.816 -2.063 147 H ASP 20 H ASP 20 6.215 -0.180 4.501 148 HA ASP 20 HA ASP 20 6.250 1.451 6.796 149 HB2 ASP 20 2HB ASP 20 6.209 -1.097 6.662 150 HB3 ASP 20 1HB ASP 20 7.954 -1.008 6.415 151 H LYS 21 H LYS 21 7.394 3.361 6.095 152 HA LYS 21 HA LYS 21 10.125 3.296 5.268 153 HB2 LYS 21 2HB LYS 21 8.804 5.593 6.715 154 HB3 LYS 21 1HB LYS 21 10.139 5.668 5.573 155 HG2 LYS 21 2HG LYS 21 7.279 4.916 4.956 156 HG3 LYS 21 1HG LYS 21 8.082 6.401 4.486 157 HD2 LYS 21 2HD LYS 21 8.766 3.606 3.519 158 HD3 LYS 21 1HD LYS 21 8.021 4.890 2.584 159 HE2 LYS 21 2HE LYS 21 10.147 6.276 3.215 160 HE3 LYS 21 1HE LYS 21 10.859 4.701 3.566 161 HZ1 LYS 21 3HZ LYS 21 10.104 5.869 1.023 162 HZ2 LYS 21 1HZ LYS 21 9.733 4.224 1.208 163 HZ3 LYS 21 2HZ LYS 21 11.337 4.758 1.390 164 H ASP 22 H ASP 22 8.692 4.144 8.441 165 HA ASP 22 HA ASP 22 11.122 4.404 9.804 166 HB2 ASP 22 2HB ASP 22 9.781 4.158 11.835 167 HB3 ASP 22 1HB ASP 22 8.918 5.153 10.662 168 H GLY 23 H GLY 23 9.481 1.617 8.636 169 HA2 GLY 23 2HA GLY 23 10.041 -0.593 8.650 170 HA3 GLY 23 1HA GLY 23 11.614 -0.108 9.267 171 H ASP 24 H ASP 24 8.399 0.297 10.758 172 HA ASP 24 HA ASP 24 9.422 -1.123 13.141 173 HB2 ASP 24 2HB ASP 24 7.739 -0.015 14.402 174 HB3 ASP 24 1HB ASP 24 8.483 1.196 13.364 175 H GLY 25 H GLY 25 7.806 -1.931 10.425 176 HA2 GLY 25 2HA GLY 25 6.872 -4.047 9.993 177 HA3 GLY 25 1HA GLY 25 6.544 -4.240 11.714 178 H THR 26 H THR 26 5.672 -1.183 10.559 179 HA THR 26 HA THR 26 2.929 -1.960 9.842 180 HB THR 26 HB THR 26 2.298 0.055 11.491 181 HG1 THR 26 1HG THR 26 3.734 0.441 12.956 182 HG21 THR 26 3HG2 THR 26 2.001 -1.720 13.317 183 HG22 THR 26 1HG2 THR 26 2.747 -2.847 12.178 184 HG23 THR 26 2HG2 THR 26 1.234 -2.034 11.761 185 H ILE 27 H ILE 27 1.722 -0.206 8.879 186 HA ILE 27 HA ILE 27 3.484 1.844 7.642 187 HB ILE 27 HB ILE 27 0.909 0.643 6.612 188 HG12 ILE 27 2HG1 ILE 27 3.700 0.456 5.480 189 HG13 ILE 27 1HG1 ILE 27 3.026 -0.771 6.550 190 HG21 ILE 27 1HG2 ILE 27 1.094 2.982 5.955 191 HG22 ILE 27 2HG2 ILE 27 1.496 1.972 4.565 192 HG23 ILE 27 3HG2 ILE 27 2.780 2.744 5.495 193 HD11 ILE 27 3HD1 ILE 27 1.827 0.099 3.890 194 HD12 ILE 27 1HD1 ILE 27 1.135 -1.099 4.987 195 HD13 ILE 27 2HD1 ILE 27 2.678 -1.426 4.196 196 H THR 28 H THR 28 2.968 3.950 7.928 197 HA THR 28 HA THR 28 0.541 4.550 9.542 198 HB THR 28 HB THR 28 3.214 5.969 9.448 199 HG1 THR 28 1HG THR 28 1.955 4.176 11.194 200 HG21 THR 28 3HG2 THR 28 0.593 6.612 10.788 201 HG22 THR 28 1HG2 THR 28 1.654 7.677 9.867 202 HG23 THR 28 2HG2 THR 28 2.119 7.153 11.481 203 H THR 29 H THR 29 -0.320 6.738 9.256 204 HA THR 29 HA THR 29 -1.118 7.243 6.636 205 HB THR 29 HB THR 29 -2.093 9.277 7.486 206 HG1 THR 29 1HG THR 29 -0.737 10.354 8.681 207 HG21 THR 29 3HG2 THR 29 -2.041 7.056 9.551 208 HG22 THR 29 1HG2 THR 29 -3.242 7.330 8.291 209 HG23 THR 29 2HG2 THR 29 -3.124 8.441 9.649 210 H LYS 30 H LYS 30 1.361 8.835 8.597 211 HA LYS 30 HA LYS 30 2.141 10.720 6.621 212 HB2 LYS 30 2HB LYS 30 3.561 9.679 9.081 213 HB3 LYS 30 1HB LYS 30 4.138 11.021 8.090 214 HG2 LYS 30 2HG LYS 30 2.083 12.276 8.527 215 HG3 LYS 30 1HG LYS 30 1.419 10.915 9.429 216 HD2 LYS 30 2HD LYS 30 2.295 12.520 11.022 217 HD3 LYS 30 1HD LYS 30 3.342 11.103 11.029 218 HE2 LYS 30 2HE LYS 30 5.059 12.205 9.867 219 HE3 LYS 30 1HE LYS 30 3.971 13.437 9.234 220 HZ1 LYS 30 3HZ LYS 30 5.326 14.331 10.992 221 HZ2 LYS 30 1HZ LYS 30 4.809 13.121 12.061 222 HZ3 LYS 30 2HZ LYS 30 3.703 14.280 11.493 223 H GLU 31 H GLU 31 3.427 7.554 7.622 224 HA GLU 31 HA GLU 31 5.718 7.459 6.034 225 HB2 GLU 31 2HB GLU 31 3.808 5.314 6.973 226 HB3 GLU 31 1HB GLU 31 5.240 4.921 6.028 227 HG2 GLU 31 2HG GLU 31 6.690 5.902 7.697 228 HG3 GLU 31 1HG GLU 31 5.314 6.528 8.595 229 H LEU 32 H LEU 32 2.455 6.246 5.257 230 HA LEU 32 HA LEU 32 2.985 5.598 2.572 231 HB2 LEU 32 2HB LEU 32 1.057 4.718 3.593 232 HB3 LEU 32 1HB LEU 32 0.448 6.298 4.058 233 HG LEU 32 HG LEU 32 0.158 6.807 1.589 234 HD11 LEU 32 1HD1 LEU 32 1.766 5.278 0.645 235 HD12 LEU 32 2HD1 LEU 32 0.167 4.765 0.106 236 HD13 LEU 32 3HD1 LEU 32 0.976 3.897 1.411 237 HD21 LEU 32 3HD2 LEU 32 -1.260 4.371 2.697 238 HD22 LEU 32 1HD2 LEU 32 -1.795 5.307 1.299 239 HD23 LEU 32 2HD2 LEU 32 -1.742 6.057 2.893 240 H GLY 33 H GLY 33 1.625 8.545 4.034 241 HA2 GLY 33 2HA GLY 33 1.020 10.002 1.770 242 HA3 GLY 33 1HA GLY 33 1.609 10.728 3.263 243 H THR 34 H THR 34 4.171 9.703 3.387 244 HA THR 34 HA THR 34 5.597 11.446 1.719 245 HB THR 34 HB THR 34 6.685 8.934 3.007 246 HG1 THR 34 1HG THR 34 6.326 9.859 4.836 247 HG21 THR 34 3HG2 THR 34 7.919 11.599 2.253 248 HG22 THR 34 1HG2 THR 34 8.263 10.032 1.520 249 HG23 THR 34 2HG2 THR 34 8.741 10.349 3.188 250 H VAL 35 H VAL 35 5.068 7.900 1.461 251 HA VAL 35 HA VAL 35 6.544 7.515 -0.887 252 HB VAL 35 HB VAL 35 4.107 6.014 0.122 253 HG11 VAL 35 1HG1 VAL 35 5.314 4.119 -1.152 254 HG12 VAL 35 2HG1 VAL 35 6.241 5.397 -1.937 255 HG13 VAL 35 3HG1 VAL 35 4.488 5.333 -2.129 256 HG21 VAL 35 3HG2 VAL 35 5.584 4.651 1.362 257 HG22 VAL 35 1HG2 VAL 35 6.157 6.289 1.675 258 HG23 VAL 35 2HG2 VAL 35 7.007 5.262 0.518 259 H MET 36 H MET 36 3.145 8.346 -0.345 260 HA MET 36 HA MET 36 2.370 8.173 -3.097 261 HB2 MET 36 2HB MET 36 1.118 9.691 -0.799 262 HB3 MET 36 1HB MET 36 0.365 9.447 -2.377 263 HG2 MET 36 2HG MET 36 1.285 7.211 -0.553 264 HG3 MET 36 1HG MET 36 -0.377 7.773 -0.669 265 HE1 MET 36 3HE MET 36 -2.040 6.278 -2.213 266 HE2 MET 36 1HE MET 36 -1.739 6.736 -3.897 267 HE3 MET 36 2HE MET 36 -1.667 7.951 -2.623 268 H ARG 37 H ARG 37 3.529 10.837 -1.081 269 HA ARG 37 HA ARG 37 3.168 12.836 -3.120 270 HB2 ARG 37 2HB ARG 37 3.169 13.404 -0.739 271 HB3 ARG 37 1HB ARG 37 4.871 12.943 -0.637 272 HG2 ARG 37 2HG ARG 37 5.521 14.670 -2.165 273 HG3 ARG 37 1HG ARG 37 3.849 15.009 -2.601 274 HD2 ARG 37 2HD ARG 37 3.389 15.809 -0.369 275 HD3 ARG 37 1HD ARG 37 5.006 15.361 0.158 276 HE ARG 37 HE ARG 37 5.300 17.084 -2.020 277 HH11 ARG 37 1HH2 ARG 37 4.008 17.147 1.206 278 HH12 ARG 37 2HH2 ARG 37 4.330 18.833 1.439 279 HH21 ARG 37 1HH1 ARG 37 5.712 19.291 -1.715 280 HH22 ARG 37 2HH1 ARG 37 5.297 20.046 -0.212 281 H SER 38 H SER 38 6.061 11.242 -1.764 282 HA SER 38 HA SER 38 8.004 12.356 -3.366 283 HB2 SER 38 2HB SER 38 7.786 9.547 -2.279 284 HB3 SER 38 1HB SER 38 9.230 10.161 -3.076 285 HG SER 38 HG SER 38 9.004 11.957 -1.481 286 H LEU 39 H LEU 39 5.565 10.036 -4.231 287 HA LEU 39 HA LEU 39 6.859 9.338 -6.754 288 HB2 LEU 39 2HB LEU 39 4.220 8.573 -5.512 289 HB3 LEU 39 1HB LEU 39 4.769 7.993 -7.084 290 HG LEU 39 HG LEU 39 6.444 7.682 -4.578 291 HD11 LEU 39 1HD1 LEU 39 4.638 5.555 -5.755 292 HD12 LEU 39 2HD1 LEU 39 4.157 6.557 -4.386 293 HD13 LEU 39 3HD1 LEU 39 5.548 5.481 -4.249 294 HD21 LEU 39 3HD2 LEU 39 6.514 6.524 -7.371 295 HD22 LEU 39 1HD2 LEU 39 7.281 5.679 -6.027 296 HD23 LEU 39 2HD2 LEU 39 7.813 7.296 -6.466 297 H GLY 40 H GLY 40 4.666 11.692 -5.565 298 HA2 GLY 40 2HA GLY 40 4.131 13.628 -6.865 299 HA3 GLY 40 1HA GLY 40 4.207 12.649 -8.324 300 H GLN 41 H GLN 41 2.547 11.145 -5.730 301 HA GLN 41 HA GLN 41 0.003 11.531 -7.148 302 HB2 GLN 41 2HB GLN 41 1.092 9.274 -6.150 303 HB3 GLN 41 1HB GLN 41 0.177 9.773 -4.732 304 HG2 GLN 41 2HG GLN 41 -1.242 8.336 -6.050 305 HG3 GLN 41 1HG GLN 41 -1.857 9.976 -6.217 306 HE21 GLN 41 1HE2 GLN 41 -2.481 10.331 -8.353 307 HE22 GLN 41 2HE2 GLN 41 -1.646 9.765 -9.719 308 H ASN 42 H ASN 42 -1.973 11.553 -5.594 309 HA ASN 42 HA ASN 42 -2.438 13.942 -4.574 310 HB2 ASN 42 2HB ASN 42 -4.052 12.894 -2.977 311 HB3 ASN 42 1HB ASN 42 -4.186 12.359 -4.649 312 HD21 ASN 42 1HD2 ASN 42 -3.688 10.158 -5.141 313 HD22 ASN 42 2HD2 ASN 42 -3.325 9.012 -3.942 314 HA PRO 43 HA PRO 43 0.631 13.889 -1.162 315 HB2 PRO 43 2HB PRO 43 0.817 16.613 -0.851 316 HB3 PRO 43 1HB PRO 43 1.682 15.719 -2.114 317 HG2 PRO 43 2HG PRO 43 -0.790 17.360 -2.319 318 HG3 PRO 43 1HG PRO 43 0.531 17.160 -3.482 319 HD2 PRO 43 2HD PRO 43 -1.918 15.877 -3.651 320 HD3 PRO 43 1HD PRO 43 -0.436 15.297 -4.436 321 H THR 44 H THR 44 -2.554 15.164 -1.315 322 HA THR 44 HA THR 44 -2.961 16.301 1.170 323 HB THR 44 HB THR 44 -5.316 15.651 0.919 324 HG1 THR 44 1HG THR 44 -4.661 14.233 -1.399 325 HG21 THR 44 3HG2 THR 44 -5.699 16.618 -1.317 326 HG22 THR 44 1HG2 THR 44 -4.004 16.350 -1.726 327 HG23 THR 44 2HG2 THR 44 -4.434 17.501 -0.462 328 H GLU 45 H GLU 45 -2.169 15.468 3.005 329 HA GLU 45 HA GLU 45 -2.029 12.656 3.559 330 HB2 GLU 45 2HB GLU 45 -0.384 14.146 4.524 331 HB3 GLU 45 1HB GLU 45 -1.644 15.082 5.324 332 HG2 GLU 45 2HG GLU 45 -2.224 13.231 6.737 333 HG3 GLU 45 1HG GLU 45 -1.177 12.137 5.836 334 H ALA 46 H ALA 46 -3.891 15.303 5.041 335 HA ALA 46 HA ALA 46 -5.484 14.067 6.825 336 HB1 ALA 46 1HB ALA 46 -6.607 15.912 4.707 337 HB2 ALA 46 2HB ALA 46 -5.674 16.465 6.097 338 HB3 ALA 46 3HB ALA 46 -7.234 15.678 6.338 339 H GLU 47 H GLU 47 -5.790 13.848 3.326 340 HA GLU 47 HA GLU 47 -8.177 12.361 3.158 341 HB2 GLU 47 2HB GLU 47 -7.021 13.467 1.232 342 HB3 GLU 47 1HB GLU 47 -5.753 12.249 1.332 343 HG2 GLU 47 2HG GLU 47 -7.382 10.484 0.893 344 HG3 GLU 47 1HG GLU 47 -8.686 11.665 0.848 345 H LEU 48 H LEU 48 -4.779 11.280 3.155 346 HA LEU 48 HA LEU 48 -5.284 8.489 3.212 347 HB2 LEU 48 2HB LEU 48 -2.964 10.237 4.001 348 HB3 LEU 48 1HB LEU 48 -2.915 8.520 4.398 349 HG LEU 48 HG LEU 48 -3.097 7.899 2.078 350 HD11 LEU 48 1HD1 LEU 48 -3.188 9.832 0.345 351 HD12 LEU 48 2HD1 LEU 48 -3.758 10.824 1.686 352 HD13 LEU 48 3HD1 LEU 48 -4.690 9.421 1.173 353 HD21 LEU 48 3HD2 LEU 48 -1.220 10.251 2.428 354 HD22 LEU 48 1HD2 LEU 48 -1.129 9.084 1.112 355 HD23 LEU 48 2HD2 LEU 48 -0.857 8.561 2.773 356 H GLN 49 H GLN 49 -4.532 10.739 5.886 357 HA GLN 49 HA GLN 49 -4.713 9.072 8.041 358 HB2 GLN 49 2HB GLN 49 -5.619 11.916 7.687 359 HB3 GLN 49 1HB GLN 49 -5.721 11.110 9.248 360 HG2 GLN 49 2HG GLN 49 -3.324 10.702 9.246 361 HG3 GLN 49 1HG GLN 49 -3.181 11.334 7.610 362 HE21 GLN 49 1HE2 GLN 49 -2.817 12.184 10.853 363 HE22 GLN 49 2HE2 GLN 49 -2.929 13.870 10.693 364 H ASP 50 H ASP 50 -7.248 10.112 5.943 365 HA ASP 50 HA ASP 50 -9.398 9.334 7.721 366 HB2 ASP 50 2HB ASP 50 -9.458 11.107 5.857 367 HB3 ASP 50 1HB ASP 50 -9.641 9.750 4.748 368 H MET 51 H MET 51 -7.769 7.942 4.875 369 HA MET 51 HA MET 51 -9.475 5.728 4.511 370 HB2 MET 51 2HB MET 51 -6.521 6.050 3.927 371 HB3 MET 51 1HB MET 51 -7.516 4.714 3.342 372 HG2 MET 51 2HG MET 51 -8.974 6.276 2.159 373 HG3 MET 51 1HG MET 51 -8.067 7.642 2.808 374 HE1 MET 51 3HE MET 51 -8.281 8.364 0.624 375 HE2 MET 51 1HE MET 51 -7.913 7.419 -0.830 376 HE3 MET 51 2HE MET 51 -6.711 8.520 -0.167 377 H ILE 52 H ILE 52 -6.432 6.023 6.365 378 HA ILE 52 HA ILE 52 -6.466 3.352 7.317 379 HB ILE 52 HB ILE 52 -5.152 5.748 8.607 380 HG12 ILE 52 2HG1 ILE 52 -4.444 4.037 6.215 381 HG13 ILE 52 1HG1 ILE 52 -4.279 5.781 6.420 382 HG21 ILE 52 1HG2 ILE 52 -5.349 3.461 9.870 383 HG22 ILE 52 2HG2 ILE 52 -3.742 4.168 9.715 384 HG23 ILE 52 3HG2 ILE 52 -4.229 2.856 8.643 385 HD11 ILE 52 3HD1 ILE 52 -2.055 5.001 6.548 386 HD12 ILE 52 1HD1 ILE 52 -2.518 3.581 7.484 387 HD13 ILE 52 2HD1 ILE 52 -2.518 5.168 8.242 388 H ASN 53 H ASN 53 -7.601 6.424 8.663 389 HA ASN 53 HA ASN 53 -8.485 5.411 11.154 390 HB2 ASN 53 2HB ASN 53 -9.183 7.873 9.559 391 HB3 ASN 53 1HB ASN 53 -9.930 7.529 11.116 392 HD21 ASN 53 1HD2 ASN 53 -8.191 9.809 10.694 393 HD22 ASN 53 2HD2 ASN 53 -6.800 9.579 11.641 394 H GLU 54 H GLU 54 -9.902 5.445 7.962 395 HA GLU 54 HA GLU 54 -12.589 4.897 8.874 396 HB2 GLU 54 2HB GLU 54 -12.124 6.088 6.743 397 HB3 GLU 54 1HB GLU 54 -11.403 4.614 6.101 398 HG2 GLU 54 2HG GLU 54 -13.700 4.763 5.330 399 HG3 GLU 54 1HG GLU 54 -13.588 3.440 6.487 400 H VAL 55 H VAL 55 -10.031 2.973 7.260 401 HA VAL 55 HA VAL 55 -11.545 0.558 7.311 402 HB VAL 55 HB VAL 55 -9.450 -0.527 6.614 403 HG11 VAL 55 1HG1 VAL 55 -9.094 0.809 4.559 404 HG12 VAL 55 2HG1 VAL 55 -9.959 2.158 5.295 405 HG13 VAL 55 3HG1 VAL 55 -10.808 0.654 4.940 406 HG21 VAL 55 3HG2 VAL 55 -8.310 2.101 7.528 407 HG22 VAL 55 1HG2 VAL 55 -7.485 1.223 6.233 408 HG23 VAL 55 2HG2 VAL 55 -7.706 0.474 7.822 409 H ASP 56 H ASP 56 -9.427 2.095 9.636 410 HA ASP 56 HA ASP 56 -9.109 -0.356 11.195 411 HB2 ASP 56 2HB ASP 56 -7.772 1.002 12.699 412 HB3 ASP 56 1HB ASP 56 -7.278 1.309 11.036 413 H ALA 57 H ALA 57 -11.502 -0.600 11.388 414 HA ALA 57 HA ALA 57 -12.947 1.240 13.068 415 HB1 ALA 57 1HB ALA 57 -13.753 -1.563 12.281 416 HB2 ALA 57 2HB ALA 57 -13.960 -0.159 11.233 417 HB3 ALA 57 3HB ALA 57 -14.807 -0.239 12.777 418 H ASP 58 H ASP 58 -11.631 -2.045 13.494 419 HA ASP 58 HA ASP 58 -12.514 -2.304 16.204 420 HB2 ASP 58 2HB ASP 58 -10.440 -3.788 14.592 421 HB3 ASP 58 1HB ASP 58 -10.861 -4.211 16.251 422 H GLY 59 H GLY 59 -10.160 -0.356 14.880 423 HA2 GLY 59 2HA GLY 59 -8.670 1.062 16.020 424 HA3 GLY 59 1HA GLY 59 -8.971 0.149 17.499 425 H ASN 60 H ASN 60 -7.308 0.079 14.403 426 HA ASN 60 HA ASN 60 -5.370 -1.899 15.476 427 HB2 ASN 60 2HB ASN 60 -4.984 -2.600 13.187 428 HB3 ASN 60 1HB ASN 60 -6.705 -2.694 13.552 429 HD21 ASN 60 1HD2 ASN 60 -7.389 -2.388 11.333 430 HD22 ASN 60 2HD2 ASN 60 -7.189 -0.906 10.530 431 H GLY 61 H GLY 61 -5.844 1.250 14.098 432 HA2 GLY 61 2HA GLY 61 -4.382 2.921 13.401 433 HA3 GLY 61 1HA GLY 61 -3.516 2.456 14.851 434 H THR 62 H THR 62 -3.493 2.448 11.446 435 HA THR 62 HA THR 62 -1.589 2.253 10.124 436 HB THR 62 HB THR 62 0.366 1.081 10.811 437 HG1 THR 62 1HG THR 62 -0.033 0.186 13.162 438 HG21 THR 62 3HG2 THR 62 0.075 2.110 13.471 439 HG22 THR 62 1HG2 THR 62 -0.822 3.182 12.395 440 HG23 THR 62 2HG2 THR 62 0.895 2.872 12.112 441 H ILE 63 H ILE 63 -0.678 0.468 8.767 442 HA ILE 63 HA ILE 63 -2.719 -1.684 8.510 443 HB ILE 63 HB ILE 63 -0.855 -0.776 6.322 444 HG12 ILE 63 2HG1 ILE 63 -2.079 1.210 7.065 445 HG13 ILE 63 1HG1 ILE 63 -2.723 0.666 5.523 446 HG21 ILE 63 1HG2 ILE 63 -3.515 -2.212 6.382 447 HG22 ILE 63 2HG2 ILE 63 -1.952 -2.902 5.946 448 HG23 ILE 63 3HG2 ILE 63 -2.700 -1.687 4.910 449 HD11 ILE 63 3HD1 ILE 63 -4.473 -0.634 6.896 450 HD12 ILE 63 1HD1 ILE 63 -4.634 1.117 6.847 451 HD13 ILE 63 2HD1 ILE 63 -3.939 0.339 8.261 452 H ASP 64 H ASP 64 -2.058 -3.615 9.112 453 HA ASP 64 HA ASP 64 0.769 -4.202 9.430 454 HB2 ASP 64 2HB ASP 64 -1.614 -5.990 9.951 455 HB3 ASP 64 1HB ASP 64 0.025 -6.182 10.570 456 H PHE 65 H PHE 65 1.333 -6.589 8.850 457 HA PHE 65 HA PHE 65 1.655 -6.798 6.107 458 HB2 PHE 65 2HB PHE 65 1.639 -9.375 7.613 459 HB3 PHE 65 1HB PHE 65 2.882 -8.681 6.587 460 HD1 PHE 65 1HD PHE 65 3.961 -6.449 7.498 461 HD2 PHE 65 2HD PHE 65 2.031 -9.412 9.939 462 HE1 PHE 65 1HE PHE 65 5.216 -5.639 9.474 463 HE2 PHE 65 2HE PHE 65 3.284 -8.595 11.918 464 HZ PHE 65 HZ PHE 65 4.876 -6.709 11.687 465 HA PRO 66 HA PRO 66 -1.860 -10.168 6.022 466 HB2 PRO 66 2HB PRO 66 -3.840 -9.801 7.964 467 HB3 PRO 66 1HB PRO 66 -2.506 -10.965 8.083 468 HG2 PRO 66 2HG PRO 66 -2.756 -8.238 9.279 469 HG3 PRO 66 1HG PRO 66 -2.084 -9.722 9.981 470 HD2 PRO 66 2HD PRO 66 -0.510 -7.787 9.041 471 HD3 PRO 66 1HD PRO 66 -0.072 -9.493 8.889 472 H GLU 67 H GLU 67 -3.159 -7.193 7.505 473 HA GLU 67 HA GLU 67 -5.447 -6.908 5.994 474 HB2 GLU 67 2HB GLU 67 -3.590 -4.766 7.048 475 HB3 GLU 67 1HB GLU 67 -5.222 -4.465 6.452 476 HG2 GLU 67 2HG GLU 67 -4.576 -6.401 8.690 477 HG3 GLU 67 1HG GLU 67 -5.079 -4.733 8.956 478 H PHE 68 H PHE 68 -2.221 -5.580 5.265 479 HA PHE 68 HA PHE 68 -2.904 -4.364 2.831 480 HB2 PHE 68 2HB PHE 68 -0.812 -3.917 4.031 481 HB3 PHE 68 1HB PHE 68 -0.252 -5.549 3.659 482 HD1 PHE 68 2HD PHE 68 0.144 -6.229 1.297 483 HD2 PHE 68 1HD PHE 68 -0.790 -2.177 2.375 484 HE1 PHE 68 2HE PHE 68 0.955 -5.455 -0.915 485 HE2 PHE 68 1HE PHE 68 0.014 -1.403 0.159 486 HZ PHE 68 HZ PHE 68 0.886 -3.043 -1.486 487 H LEU 69 H LEU 69 -1.550 -7.560 3.504 488 HA LEU 69 HA LEU 69 -1.339 -8.493 0.886 489 HB2 LEU 69 2HB LEU 69 -0.274 -9.716 2.604 490 HB3 LEU 69 1HB LEU 69 -1.766 -9.890 3.526 491 HG LEU 69 HG LEU 69 -1.800 -11.029 0.749 492 HD11 LEU 69 1HD1 LEU 69 0.334 -11.865 1.254 493 HD12 LEU 69 2HD1 LEU 69 -0.741 -13.176 1.724 494 HD13 LEU 69 3HD1 LEU 69 -0.055 -12.112 2.954 495 HD21 LEU 69 3HD2 LEU 69 -3.656 -11.157 2.573 496 HD22 LEU 69 1HD2 LEU 69 -2.625 -12.361 3.339 497 HD23 LEU 69 2HD2 LEU 69 -3.253 -12.642 1.717 498 H THR 70 H THR 70 -4.145 -8.042 2.909 499 HA THR 70 HA THR 70 -5.828 -9.751 1.266 500 HB THR 70 HB THR 70 -6.607 -7.875 3.492 501 HG1 THR 70 1HG THR 70 -5.930 -9.348 4.835 502 HG21 THR 70 3HG2 THR 70 -7.910 -10.295 2.218 503 HG22 THR 70 1HG2 THR 70 -8.487 -8.631 2.150 504 HG23 THR 70 2HG2 THR 70 -8.503 -9.509 3.681 505 H MET 71 H MET 71 -6.259 -6.371 2.316 506 HA MET 71 HA MET 71 -8.109 -5.619 0.456 507 HB2 MET 71 2HB MET 71 -7.633 -3.372 0.957 508 HB3 MET 71 1HB MET 71 -7.178 -4.259 2.410 509 HG2 MET 71 2HG MET 71 -4.821 -4.262 1.646 510 HG3 MET 71 1HG MET 71 -5.266 -3.311 0.237 511 HE1 MET 71 3HE MET 71 -5.050 -3.727 3.882 512 HE2 MET 71 1HE MET 71 -6.556 -2.844 4.163 513 HE3 MET 71 2HE MET 71 -5.010 -2.122 4.601 514 H MET 72 H MET 72 -4.833 -6.414 -0.175 515 HA MET 72 HA MET 72 -4.736 -4.912 -2.680 516 HB2 MET 72 2HB MET 72 -2.494 -5.497 -2.811 517 HB3 MET 72 1HB MET 72 -2.768 -5.327 -1.084 518 HG2 MET 72 2HG MET 72 -1.657 -7.360 -1.161 519 HG3 MET 72 1HG MET 72 -3.324 -7.904 -1.225 520 HE1 MET 72 3HE MET 72 -1.114 -6.369 -4.504 521 HE2 MET 72 1HE MET 72 -0.093 -7.804 -4.351 522 HE3 MET 72 2HE MET 72 -0.332 -6.737 -2.969 523 H ALA 73 H ALA 73 -5.433 -8.125 -1.556 524 HA ALA 73 HA ALA 73 -5.250 -9.357 -4.179 525 HB1 ALA 73 1HB ALA 73 -4.673 -10.769 -2.364 526 HB2 ALA 73 2HB ALA 73 -6.260 -11.327 -2.894 527 HB3 ALA 73 3HB ALA 73 -6.113 -10.318 -1.451 528 H ARG 74 H ARG 74 -7.291 -7.147 -3.365 529 HA ARG 74 HA ARG 74 -9.790 -8.571 -4.042 530 HB2 ARG 74 2HB ARG 74 -9.312 -5.768 -3.001 531 HB3 ARG 74 1HB ARG 74 -10.894 -6.480 -3.324 532 HG2 ARG 74 2HG ARG 74 -10.448 -8.260 -1.679 533 HG3 ARG 74 1HG ARG 74 -8.848 -7.585 -1.371 534 HD2 ARG 74 2HD ARG 74 -10.193 -6.726 0.371 535 HD3 ARG 74 1HD ARG 74 -10.067 -5.404 -0.787 536 HE ARG 74 HE ARG 74 -12.357 -6.979 -1.364 537 HH11 ARG 74 1HH2 ARG 74 -11.082 -4.716 0.945 538 HH12 ARG 74 2HH2 ARG 74 -12.633 -4.077 1.377 539 HH21 ARG 74 1HH1 ARG 74 -14.396 -6.142 -0.785 540 HH22 ARG 74 2HH1 ARG 74 -14.507 -4.883 0.398 541 H LYS 75 H LYS 75 -7.326 -7.228 -5.650 542 HA LYS 75 HA LYS 75 -9.065 -6.236 -7.850 543 HB2 LYS 75 2HB LYS 75 -6.393 -5.154 -6.932 544 HB3 LYS 75 1HB LYS 75 -7.184 -4.689 -8.439 545 HG2 LYS 75 2HG LYS 75 -8.762 -4.518 -5.876 546 HG3 LYS 75 1HG LYS 75 -7.569 -3.267 -6.210 547 HD2 LYS 75 2HD LYS 75 -9.519 -4.018 -8.384 548 HD3 LYS 75 1HD LYS 75 -10.073 -2.992 -7.061 549 HE2 LYS 75 2HE LYS 75 -8.458 -1.312 -7.556 550 HE3 LYS 75 1HE LYS 75 -7.561 -2.387 -8.629 551 HZ1 LYS 75 3HZ LYS 75 -8.775 -1.574 -10.270 552 HZ2 LYS 75 1HZ LYS 75 -9.786 -0.728 -9.202 553 HZ3 LYS 75 2HZ LYS 75 -10.131 -2.345 -9.595 554 H MET 76 H MET 76 -8.819 -7.231 -9.721 555 HA MET 76 HA MET 76 -6.610 -9.163 -10.029 556 HB2 MET 76 2HB MET 76 -9.267 -8.870 -11.440 557 HB3 MET 76 1HB MET 76 -8.034 -10.043 -11.898 558 HG2 MET 76 2HG MET 76 -8.114 -11.008 -9.614 559 HG3 MET 76 1HG MET 76 -9.376 -9.857 -9.179 560 HE1 MET 76 3HE MET 76 -12.473 -10.824 -10.928 561 HE2 MET 76 1HE MET 76 -11.366 -9.795 -11.846 562 HE3 MET 76 2HE MET 76 -11.502 -9.610 -10.100 563 H LYS 77 H LYS 77 -4.892 -8.306 -10.975 564 HA LYS 77 HA LYS 77 -3.560 -7.158 -12.453 565 HB2 LYS 77 2HB LYS 77 -5.906 -7.760 -14.265 566 HB3 LYS 77 1HB LYS 77 -4.336 -7.189 -14.824 567 HG2 LYS 77 2HG LYS 77 -3.254 -9.172 -13.822 568 HG3 LYS 77 1HG LYS 77 -4.823 -9.754 -13.272 569 HD2 LYS 77 2HD LYS 77 -4.198 -9.216 -16.191 570 HD3 LYS 77 1HD LYS 77 -3.968 -10.791 -15.436 571 HE2 LYS 77 2HE LYS 77 -6.429 -10.640 -14.717 572 HE3 LYS 77 1HE LYS 77 -6.565 -9.287 -15.837 573 HZ1 LYS 77 3HZ LYS 77 -6.689 -10.676 -17.525 574 HZ2 LYS 77 1HZ LYS 77 -6.713 -11.977 -16.437 575 HZ3 LYS 77 2HZ LYS 77 -5.236 -11.440 -17.084 576 H1 GLY 45 1HT GLY 45 -16.320 4.411 2.167 577 H2 GLY 45 2HT GLY 45 -15.539 5.897 2.429 578 H3 GLY 45 3HT GLY 45 -15.234 4.582 3.460 579 HA2 GLY 45 2HA GLY 45 -13.633 5.254 1.453 580 HA3 GLY 45 1HA GLY 45 -13.797 3.606 2.062 581 H THR 46 H THR 46 -13.547 5.125 -0.730 582 HA THR 46 HA THR 46 -15.206 3.153 -2.146 583 HB THR 46 HB THR 46 -16.719 4.933 -2.321 584 HG1 THR 46 1HG THR 46 -15.208 5.700 -4.514 585 HG21 THR 46 3HG2 THR 46 -15.308 6.662 -1.277 586 HG22 THR 46 1HG2 THR 46 -16.046 7.263 -2.761 587 HG23 THR 46 2HG2 THR 46 -14.350 6.779 -2.754 588 H GLY 47 H GLY 47 -12.770 5.729 -2.387 589 HA2 GLY 47 2HA GLY 47 -11.600 4.419 -4.766 590 HA3 GLY 47 1HA GLY 47 -11.250 6.050 -4.200 591 H ALA 48 H ALA 48 -11.423 3.878 -1.649 592 HA ALA 48 HA ALA 48 -8.769 4.225 -0.821 593 HB1 ALA 48 1HB ALA 48 -10.462 3.697 0.782 594 HB2 ALA 48 2HB ALA 48 -9.331 2.344 0.780 595 HB3 ALA 48 3HB ALA 48 -10.878 2.203 -0.055 596 H ALA 49 H ALA 49 -10.293 1.413 -2.424 597 HA ALA 49 HA ALA 49 -8.008 -0.255 -2.381 598 HB1 ALA 49 1HB ALA 49 -10.417 -0.187 -4.205 599 HB2 ALA 49 2HB ALA 49 -10.164 -1.222 -2.800 600 HB3 ALA 49 3HB ALA 49 -9.196 -1.460 -4.255 601 H LEU 50 H LEU 50 -9.192 2.087 -4.749 602 HA LEU 50 HA LEU 50 -7.318 1.534 -6.783 603 HB2 LEU 50 2HB LEU 50 -9.347 2.834 -7.205 604 HB3 LEU 50 1HB LEU 50 -8.786 4.101 -6.120 605 HG LEU 50 HG LEU 50 -6.882 4.567 -7.598 606 HD11 LEU 50 1HD1 LEU 50 -7.922 2.128 -9.035 607 HD12 LEU 50 2HD1 LEU 50 -6.265 2.539 -8.599 608 HD13 LEU 50 3HD1 LEU 50 -7.051 3.369 -9.941 609 HD21 LEU 50 3HD2 LEU 50 -9.048 5.695 -8.037 610 HD22 LEU 50 1HD2 LEU 50 -9.493 4.391 -9.138 611 HD23 LEU 50 2HD2 LEU 50 -8.133 5.446 -9.523 612 H SER 51 H SER 51 -7.287 3.744 -4.034 613 HA SER 51 HA SER 51 -4.925 5.146 -4.614 614 HB2 SER 51 2HB SER 51 -6.496 5.837 -2.862 615 HB3 SER 51 1HB SER 51 -6.121 4.387 -1.935 616 HG SER 51 HG SER 51 -4.464 5.404 -1.183 617 H TRP 52 H TRP 52 -5.495 2.176 -2.770 618 HA TRP 52 HA TRP 52 -2.815 1.742 -1.999 619 HB2 TRP 52 2HB TRP 52 -5.244 -0.017 -2.265 620 HB3 TRP 52 1HB TRP 52 -3.686 -0.712 -1.826 621 HD1 TRP 52 HD TRP 52 -6.661 0.581 -0.254 622 HE1 TRP 52 1HE TRP 52 -6.223 1.347 2.165 623 HE3 TRP 52 3HE TRP 52 -1.552 0.796 -0.301 624 HZ2 TRP 52 2HZ TRP 52 -4.015 1.965 3.873 625 HZ3 TRP 52 3HZ TRP 52 -0.306 1.473 1.725 626 HH2 TRP 52 HH TRP 52 -1.503 2.065 3.807 627 H GLN 53 H GLN 53 -4.706 0.538 -4.764 628 HA GLN 53 HA GLN 53 -2.660 -1.079 -5.865 629 HB2 GLN 53 2HB GLN 53 -5.089 -1.226 -6.447 630 HB3 GLN 53 1HB GLN 53 -4.920 0.280 -7.348 631 HG2 GLN 53 2HG GLN 53 -3.174 -0.770 -8.756 632 HG3 GLN 53 1HG GLN 53 -3.385 -2.280 -7.872 633 HE21 GLN 53 1HE2 GLN 53 -4.404 -3.635 -9.386 634 HE22 GLN 53 2HE2 GLN 53 -5.830 -3.236 -10.218 635 H ALA 54 H ALA 54 -3.595 2.302 -6.492 636 HA ALA 54 HA ALA 54 -1.825 2.756 -8.642 637 HB1 ALA 54 1HB ALA 54 -3.779 4.213 -7.828 638 HB2 ALA 54 2HB ALA 54 -2.330 5.046 -8.391 639 HB3 ALA 54 3HB ALA 54 -2.635 4.878 -6.662 640 H ALA 55 H ALA 55 -1.395 3.069 -5.142 641 HA ALA 55 HA ALA 55 1.118 4.356 -5.188 642 HB1 ALA 55 1HB ALA 55 -0.433 4.043 -3.199 643 HB2 ALA 55 2HB ALA 55 1.280 3.765 -2.884 644 HB3 ALA 55 3HB ALA 55 0.187 2.395 -3.088 645 H ILE 56 H ILE 56 0.201 0.937 -5.250 646 HA ILE 56 HA ILE 56 2.804 -0.148 -4.989 647 HB ILE 56 HB ILE 56 0.280 -1.237 -6.256 648 HG12 ILE 56 2HG1 ILE 56 1.622 -1.919 -3.625 649 HG13 ILE 56 1HG1 ILE 56 0.335 -0.722 -3.770 650 HG21 ILE 56 1HG2 ILE 56 2.975 -2.513 -5.749 651 HG22 ILE 56 2HG2 ILE 56 2.041 -2.494 -7.246 652 HG23 ILE 56 3HG2 ILE 56 1.500 -3.470 -5.881 653 HD11 ILE 56 3HD1 ILE 56 -0.738 -2.774 -3.160 654 HD12 ILE 56 1HD1 ILE 56 0.179 -3.687 -4.357 655 HD13 ILE 56 2HD1 ILE 56 -1.064 -2.549 -4.877 656 H ASP 57 H ASP 57 0.827 0.689 -7.820 657 HA ASP 57 HA ASP 57 2.610 -0.240 -9.799 658 HB2 ASP 57 2HB ASP 57 0.280 0.303 -10.279 659 HB3 ASP 57 1HB ASP 57 0.578 1.998 -9.903 660 H ALA 58 H ALA 58 2.183 3.015 -8.410 661 HA ALA 58 HA ALA 58 4.256 4.231 -9.911 662 HB1 ALA 58 1HB ALA 58 4.123 5.996 -8.108 663 HB2 ALA 58 2HB ALA 58 2.923 4.981 -7.305 664 HB3 ALA 58 3HB ALA 58 2.597 5.632 -8.911 665 H ALA 59 H ALA 59 4.179 2.677 -6.727 666 HA ALA 59 HA ALA 59 6.802 3.348 -5.920 667 HB1 ALA 59 1HB ALA 59 6.571 1.454 -4.352 668 HB2 ALA 59 2HB ALA 59 5.138 0.911 -5.225 669 HB3 ALA 59 3HB ALA 59 5.118 2.452 -4.370 670 H ARG 60 H ARG 60 5.497 0.649 -7.788 671 HA ARG 60 HA ARG 60 7.853 -0.871 -7.979 672 HB2 ARG 60 2HB ARG 60 5.470 -1.552 -8.578 673 HB3 ARG 60 1HB ARG 60 5.714 -0.685 -10.094 674 HG2 ARG 60 2HG ARG 60 6.414 -2.807 -10.747 675 HG3 ARG 60 1HG ARG 60 7.955 -2.155 -10.185 676 HD2 ARG 60 2HD ARG 60 7.609 -4.369 -9.216 677 HD3 ARG 60 1HD ARG 60 7.496 -3.164 -7.935 678 HE ARG 60 HE ARG 60 4.967 -3.817 -9.173 679 HH11 ARG 60 1HH2 ARG 60 7.285 -4.644 -6.706 680 HH12 ARG 60 2HH2 ARG 60 6.099 -5.347 -5.658 681 HH21 ARG 60 1HH1 ARG 60 3.434 -4.729 -7.796 682 HH22 ARG 60 2HH1 ARG 60 3.922 -5.396 -6.275 683 H GLN 61 H GLN 61 6.504 1.671 -10.078 684 HA GLN 61 HA GLN 61 8.493 1.523 -12.085 685 HB2 GLN 61 2HB GLN 61 6.335 2.709 -12.374 686 HB3 GLN 61 1HB GLN 61 6.862 3.927 -11.214 687 HG2 GLN 61 2HG GLN 61 8.705 4.577 -12.651 688 HG3 GLN 61 1HG GLN 61 8.348 3.263 -13.769 689 HE21 GLN 61 1HE2 GLN 61 8.372 5.990 -14.653 690 HE22 GLN 61 2HE2 GLN 61 6.785 6.435 -15.063 691 H ALA 62 H ALA 62 8.226 3.435 -9.115 692 HA ALA 62 HA ALA 62 10.580 4.969 -9.475 693 HB1 ALA 62 1HB ALA 62 10.375 5.473 -7.096 694 HB2 ALA 62 2HB ALA 62 9.242 4.135 -6.890 695 HB3 ALA 62 3HB ALA 62 8.790 5.534 -7.862 696 H LYS 63 H LYS 63 9.950 1.910 -7.783 697 HA LYS 63 HA LYS 63 12.567 1.535 -6.775 698 HB2 LYS 63 2HB LYS 63 10.590 0.286 -5.956 699 HB3 LYS 63 1HB LYS 63 10.499 -0.562 -7.501 700 HG2 LYS 63 2HG LYS 63 12.735 -1.509 -7.136 701 HG3 LYS 63 1HG LYS 63 12.882 -0.614 -5.624 702 HD2 LYS 63 2HD LYS 63 10.926 -1.823 -4.720 703 HD3 LYS 63 1HD LYS 63 10.793 -2.727 -6.229 704 HE2 LYS 63 2HE LYS 63 13.263 -2.722 -4.471 705 HE3 LYS 63 1HE LYS 63 12.019 -3.972 -4.419 706 HZ1 LYS 63 3HZ LYS 63 13.253 -4.935 -5.995 707 HZ2 LYS 63 1HZ LYS 63 14.080 -3.504 -6.380 708 HZ3 LYS 63 2HZ LYS 63 12.548 -3.802 -7.047 709 H LEU 64 H LEU 64 10.988 0.485 -9.775 710 HA LEU 64 HA LEU 64 13.102 -1.087 -10.743 711 HB2 LEU 64 2HB LEU 64 10.848 -1.198 -11.692 712 HB3 LEU 64 1HB LEU 64 10.988 0.459 -12.271 713 HG LEU 64 HG LEU 64 12.858 -0.203 -13.745 714 HD11 LEU 64 1HD1 LEU 64 12.452 -2.857 -12.364 715 HD12 LEU 64 2HD1 LEU 64 13.956 -1.989 -12.672 716 HD13 LEU 64 3HD1 LEU 64 13.123 -2.800 -13.996 717 HD21 LEU 64 3HD2 LEU 64 10.489 -2.071 -14.055 718 HD22 LEU 64 1HD2 LEU 64 11.567 -1.515 -15.335 719 HD23 LEU 64 2HD2 LEU 64 10.488 -0.372 -14.532 720 H MET 65 H MET 65 12.336 2.352 -11.242 721 HA MET 65 HA MET 65 14.489 2.863 -13.025 722 HB2 MET 65 2HB MET 65 12.791 4.661 -11.297 723 HB3 MET 65 1HB MET 65 14.038 5.278 -12.383 724 HG2 MET 65 2HG MET 65 12.934 4.204 -14.296 725 HG3 MET 65 1HG MET 65 11.713 3.520 -13.225 726 HE1 MET 65 3HE MET 65 13.547 6.448 -14.438 727 HE2 MET 65 1HE MET 65 13.185 7.405 -12.995 728 HE3 MET 65 2HE MET 65 12.419 7.798 -14.532 729 H GLY 66 H GLY 66 14.151 3.062 -9.514 730 HA2 GLY 66 2HA GLY 66 15.820 2.932 -7.904 731 HA3 GLY 66 1HA GLY 66 17.021 2.939 -9.188 732 H SER 67 H SER 67 14.838 5.484 -9.598 733 HA SER 67 HA SER 67 15.079 7.762 -9.427 734 HB2 SER 67 2HB SER 67 14.538 7.589 -7.145 735 HB3 SER 67 1HB SER 67 16.061 6.800 -6.747 736 HG SER 67 HG SER 67 15.689 9.214 -6.347 737 H ALA 68 H ALA 68 16.908 6.813 -11.078 738 HA ALA 68 HA ALA 68 19.610 7.462 -10.296 739 HB1 ALA 68 1HB ALA 68 20.121 6.998 -12.679 740 HB2 ALA 68 2HB ALA 68 18.392 6.846 -12.998 741 HB3 ALA 68 3HB ALA 68 19.195 5.697 -11.929 Start of MODEL 19 1 H1 ALA 1 1HT ALA 1 -10.720 -16.515 -12.601 2 H2 ALA 1 2HT ALA 1 -10.506 -16.305 -10.930 3 H3 ALA 1 3HT ALA 1 -11.966 -16.934 -11.527 4 HA ALA 1 HA ALA 1 -11.075 -18.914 -11.016 5 HB1 ALA 1 2HB ALA 1 -11.079 -18.779 -13.526 6 HB2 ALA 1 3HB ALA 1 -9.865 -19.887 -12.885 7 HB3 ALA 1 1HB ALA 1 -9.386 -18.289 -13.454 8 H ASP 2 H ASP 2 -8.448 -19.933 -11.691 9 HA ASP 2 HA ASP 2 -6.417 -20.208 -10.637 10 HB2 ASP 2 2HB ASP 2 -6.591 -17.204 -10.899 11 HB3 ASP 2 1HB ASP 2 -5.152 -18.027 -10.302 12 H GLN 3 H GLN 3 -5.100 -19.501 -8.628 13 HA GLN 3 HA GLN 3 -6.769 -18.604 -6.390 14 HB2 GLN 3 2HB GLN 3 -5.867 -20.684 -5.097 15 HB3 GLN 3 1HB GLN 3 -7.251 -20.889 -6.171 16 HG2 GLN 3 2HG GLN 3 -5.798 -21.708 -7.955 17 HG3 GLN 3 1HG GLN 3 -4.371 -21.417 -6.966 18 HE21 GLN 3 1HE2 GLN 3 -3.622 -23.476 -6.405 19 HE22 GLN 3 2HE2 GLN 3 -4.593 -24.702 -5.744 20 H LEU 4 H LEU 4 -5.418 -16.839 -6.138 21 HA LEU 4 HA LEU 4 -3.500 -15.649 -5.684 22 HB2 LEU 4 2HB LEU 4 -4.250 -17.096 -3.532 23 HB3 LEU 4 1HB LEU 4 -2.640 -17.765 -3.754 24 HG LEU 4 HG LEU 4 -1.941 -15.216 -3.932 25 HD11 LEU 4 1HD1 LEU 4 -3.343 -13.777 -2.525 26 HD12 LEU 4 2HD1 LEU 4 -4.508 -15.087 -2.338 27 HD13 LEU 4 3HD1 LEU 4 -4.250 -14.354 -3.918 28 HD21 LEU 4 3HD2 LEU 4 -1.561 -15.175 -1.499 29 HD22 LEU 4 1HD2 LEU 4 -1.215 -16.776 -2.152 30 HD23 LEU 4 2HD2 LEU 4 -2.726 -16.484 -1.290 31 H THR 5 H THR 5 -0.962 -16.236 -4.952 32 HA THR 5 HA THR 5 0.336 -18.339 -6.273 33 HB THR 5 HB THR 5 -0.414 -17.372 -8.362 34 HG1 THR 5 1HG THR 5 2.091 -16.316 -8.437 35 HG21 THR 5 3HG2 THR 5 0.334 -14.997 -8.896 36 HG22 THR 5 1HG2 THR 5 0.671 -14.811 -7.178 37 HG23 THR 5 2HG2 THR 5 -0.973 -15.139 -7.722 38 H GLU 6 H GLU 6 2.751 -17.597 -6.785 39 HA GLU 6 HA GLU 6 3.850 -16.700 -4.347 40 HB2 GLU 6 2HB GLU 6 5.004 -18.153 -6.023 41 HB3 GLU 6 1HB GLU 6 5.172 -16.750 -7.069 42 HG2 GLU 6 2HG GLU 6 6.500 -15.594 -5.372 43 HG3 GLU 6 1HG GLU 6 6.275 -16.932 -4.248 44 H GLU 7 H GLU 7 3.384 -15.076 -7.438 45 HA GLU 7 HA GLU 7 4.626 -12.681 -7.009 46 HB2 GLU 7 2HB GLU 7 3.618 -12.959 -9.107 47 HB3 GLU 7 1HB GLU 7 2.056 -13.377 -8.406 48 HG2 GLU 7 2HG GLU 7 1.662 -11.118 -7.719 49 HG3 GLU 7 1HG GLU 7 3.319 -10.647 -8.106 50 H GLN 8 H GLN 8 1.174 -13.242 -6.247 51 HA GLN 8 HA GLN 8 0.571 -10.935 -4.981 52 HB2 GLN 8 2HB GLN 8 -0.325 -13.755 -4.604 53 HB3 GLN 8 1HB GLN 8 -0.974 -12.518 -3.528 54 HG2 GLN 8 2HG GLN 8 -1.028 -12.304 -6.559 55 HG3 GLN 8 1HG GLN 8 -2.351 -12.979 -5.612 56 HE21 GLN 8 1HE2 GLN 8 -3.273 -11.451 -3.872 57 HE22 GLN 8 2HE2 GLN 8 -3.291 -9.790 -4.223 58 H ILE 9 H ILE 9 1.585 -13.834 -3.107 59 HA ILE 9 HA ILE 9 1.728 -12.506 -0.676 60 HB ILE 9 HB ILE 9 3.405 -14.320 -0.058 61 HG12 ILE 9 2HG1 ILE 9 2.838 -15.101 -2.940 62 HG13 ILE 9 1HG1 ILE 9 4.403 -14.659 -2.269 63 HG21 ILE 9 1HG2 ILE 9 0.907 -15.321 -1.444 64 HG22 ILE 9 2HG2 ILE 9 0.866 -14.485 0.109 65 HG23 ILE 9 3HG2 ILE 9 1.713 -16.020 -0.043 66 HD11 ILE 9 3HD1 ILE 9 2.877 -17.181 -1.989 67 HD12 ILE 9 1HD1 ILE 9 3.776 -16.630 -0.582 68 HD13 ILE 9 2HD1 ILE 9 4.618 -16.918 -2.096 69 H ALA 10 H ALA 10 4.370 -13.025 -3.025 70 HA ALA 10 HA ALA 10 6.361 -11.688 -1.586 71 HB1 ALA 10 1HB ALA 10 7.578 -11.616 -3.652 72 HB2 ALA 10 2HB ALA 10 6.092 -11.748 -4.594 73 HB3 ALA 10 3HB ALA 10 6.658 -13.123 -3.644 74 H GLU 11 H GLU 11 3.929 -10.529 -3.846 75 HA GLU 11 HA GLU 11 4.807 -7.909 -4.238 76 HB2 GLU 11 2HB GLU 11 2.915 -9.074 -5.435 77 HB3 GLU 11 1HB GLU 11 1.922 -8.780 -4.010 78 HG2 GLU 11 2HG GLU 11 2.269 -6.364 -4.230 79 HG3 GLU 11 1HG GLU 11 3.311 -6.631 -5.627 80 H PHE 12 H PHE 12 2.540 -9.155 -1.742 81 HA PHE 12 HA PHE 12 2.129 -6.659 -0.508 82 HB2 PHE 12 2HB PHE 12 0.580 -7.984 0.484 83 HB3 PHE 12 1HB PHE 12 1.420 -9.432 -0.047 84 HD1 PHE 12 1HD PHE 12 1.233 -6.876 2.650 85 HD2 PHE 12 2HD PHE 12 2.787 -10.693 1.454 86 HE1 PHE 12 1HE PHE 12 1.940 -7.318 4.982 87 HE2 PHE 12 2HE PHE 12 3.492 -11.139 3.788 88 HZ PHE 12 HZ PHE 12 3.072 -9.449 5.548 89 H LYS 13 H LYS 13 4.460 -9.249 0.183 90 HA LYS 13 HA LYS 13 5.628 -8.147 2.445 91 HB2 LYS 13 2HB LYS 13 6.085 -10.436 1.710 92 HB3 LYS 13 1HB LYS 13 6.912 -9.830 0.278 93 HG2 LYS 13 2HG LYS 13 8.508 -10.493 2.056 94 HG3 LYS 13 1HG LYS 13 8.626 -8.774 1.686 95 HD2 LYS 13 2HD LYS 13 7.563 -8.138 3.674 96 HD3 LYS 13 1HD LYS 13 6.800 -9.707 3.892 97 HE2 LYS 13 2HE LYS 13 8.883 -10.713 4.500 98 HE3 LYS 13 1HE LYS 13 9.780 -9.268 4.035 99 HZ1 LYS 13 3HZ LYS 13 8.755 -8.039 5.788 100 HZ2 LYS 13 1HZ LYS 13 9.393 -9.459 6.460 101 HZ3 LYS 13 2HZ LYS 13 7.722 -9.334 6.172 102 H GLU 14 H GLU 14 6.407 -7.668 -0.971 103 HA GLU 14 HA GLU 14 8.648 -5.983 -0.544 104 HB2 GLU 14 2HB GLU 14 6.742 -6.286 -2.855 105 HB3 GLU 14 1HB GLU 14 8.175 -5.263 -2.909 106 HG2 GLU 14 2HG GLU 14 9.616 -7.174 -2.479 107 HG3 GLU 14 1HG GLU 14 8.223 -8.223 -2.263 108 H ALA 15 H ALA 15 5.288 -5.157 -1.540 109 HA ALA 15 HA ALA 15 5.602 -2.395 -1.382 110 HB1 ALA 15 1HB ALA 15 2.938 -3.474 -0.634 111 HB2 ALA 15 2HB ALA 15 3.602 -4.068 -2.153 112 HB3 ALA 15 3HB ALA 15 3.378 -2.338 -1.913 113 H PHE 16 H PHE 16 4.704 -4.743 1.092 114 HA PHE 16 HA PHE 16 3.953 -2.988 3.118 115 HB2 PHE 16 2HB PHE 16 3.514 -5.186 3.692 116 HB3 PHE 16 1HB PHE 16 5.013 -5.767 2.985 117 HD1 PHE 16 1HD PHE 16 3.581 -4.031 5.953 118 HD2 PHE 16 2HD PHE 16 6.986 -5.980 4.221 119 HE1 PHE 16 1HE PHE 16 4.713 -4.035 8.159 120 HE2 PHE 16 2HE PHE 16 8.111 -5.993 6.418 121 HZ PHE 16 HZ PHE 16 6.982 -5.014 8.377 122 H SER 17 H SER 17 7.161 -4.400 2.536 123 HA SER 17 HA SER 17 8.441 -2.919 4.571 124 HB2 SER 17 2HB SER 17 9.225 -5.078 3.387 125 HB3 SER 17 1HB SER 17 9.849 -4.001 2.135 126 HG SER 17 HG SER 17 10.497 -3.084 4.585 127 H LEU 18 H LEU 18 7.517 -2.089 1.330 128 HA LEU 18 HA LEU 18 9.471 -0.013 0.976 129 HB2 LEU 18 2HB LEU 18 6.926 -0.769 -0.428 130 HB3 LEU 18 1HB LEU 18 7.783 0.706 -0.854 131 HG LEU 18 HG LEU 18 9.057 -2.048 -0.821 132 HD11 LEU 18 1HD1 LEU 18 8.988 -1.631 -3.400 133 HD12 LEU 18 2HD1 LEU 18 7.678 -0.513 -3.017 134 HD13 LEU 18 3HD1 LEU 18 7.538 -2.218 -2.592 135 HD21 LEU 18 3HD2 LEU 18 10.624 -0.583 -2.463 136 HD22 LEU 18 1HD2 LEU 18 10.894 -0.664 -0.725 137 HD23 LEU 18 2HD2 LEU 18 10.042 0.713 -1.421 138 H PHE 19 H PHE 19 6.062 -0.064 1.990 139 HA PHE 19 HA PHE 19 5.884 2.772 2.208 140 HB2 PHE 19 2HB PHE 19 4.154 0.678 3.514 141 HB3 PHE 19 1HB PHE 19 3.741 2.374 3.278 142 HD1 PHE 19 1HD PHE 19 4.305 3.122 0.624 143 HD2 PHE 19 2HD PHE 19 3.078 -0.755 2.031 144 HE1 PHE 19 1HE PHE 19 3.440 2.570 -1.630 145 HE2 PHE 19 2HE PHE 19 2.209 -1.292 -0.215 146 HZ PHE 19 HZ PHE 19 2.391 0.365 -2.052 147 H ASP 20 H ASP 20 5.928 0.275 4.760 148 HA ASP 20 HA ASP 20 6.113 1.992 6.921 149 HB2 ASP 20 2HB ASP 20 5.854 -0.556 6.888 150 HB3 ASP 20 1HB ASP 20 7.613 -0.624 6.763 151 H LYS 21 H LYS 21 7.444 3.770 6.243 152 HA LYS 21 HA LYS 21 10.131 3.554 5.420 153 HB2 LYS 21 2HB LYS 21 8.795 5.796 6.961 154 HB3 LYS 21 1HB LYS 21 10.364 5.910 6.178 155 HG2 LYS 21 2HG LYS 21 7.728 5.359 4.777 156 HG3 LYS 21 1HG LYS 21 8.602 6.887 4.765 157 HD2 LYS 21 2HD LYS 21 10.594 5.370 3.874 158 HD3 LYS 21 1HD LYS 21 9.283 4.303 3.397 159 HE2 LYS 21 2HE LYS 21 9.556 5.636 1.502 160 HE3 LYS 21 1HE LYS 21 8.260 6.483 2.353 161 HZ1 LYS 21 3HZ LYS 21 10.061 7.846 3.402 162 HZ2 LYS 21 1HZ LYS 21 9.849 8.092 1.737 163 HZ3 LYS 21 2HZ LYS 21 11.146 7.149 2.296 164 H ASP 22 H ASP 22 8.846 4.251 8.697 165 HA ASP 22 HA ASP 22 11.366 4.145 9.965 166 HB2 ASP 22 2HB ASP 22 10.084 4.003 12.046 167 HB3 ASP 22 1HB ASP 22 9.362 5.194 10.965 168 H GLY 23 H GLY 23 9.370 1.732 8.672 169 HA2 GLY 23 2HA GLY 23 9.477 -0.574 8.651 170 HA3 GLY 23 1HA GLY 23 11.165 -0.370 9.098 171 H ASP 24 H ASP 24 8.246 0.515 10.956 172 HA ASP 24 HA ASP 24 9.351 -0.822 13.286 173 HB2 ASP 24 2HB ASP 24 7.631 0.224 14.529 174 HB3 ASP 24 1HB ASP 24 8.116 1.407 13.319 175 H GLY 25 H GLY 25 7.290 -1.662 10.724 176 HA2 GLY 25 2HA GLY 25 6.804 -4.078 10.526 177 HA3 GLY 25 1HA GLY 25 6.298 -4.039 12.211 178 H THR 26 H THR 26 5.167 -1.219 11.324 179 HA THR 26 HA THR 26 2.659 -2.251 10.109 180 HB THR 26 HB THR 26 1.495 -0.516 11.525 181 HG1 THR 26 1HG THR 26 2.606 0.527 13.014 182 HG21 THR 26 3HG2 THR 26 2.944 -2.648 13.110 183 HG22 THR 26 1HG2 THR 26 1.572 -2.979 12.050 184 HG23 THR 26 2HG2 THR 26 1.362 -1.945 13.462 185 H ILE 27 H ILE 27 1.409 -0.630 8.967 186 HA ILE 27 HA ILE 27 3.164 1.404 7.734 187 HB ILE 27 HB ILE 27 0.584 0.172 6.766 188 HG12 ILE 27 2HG1 ILE 27 3.374 0.047 5.613 189 HG13 ILE 27 1HG1 ILE 27 2.724 -1.186 6.690 190 HG21 ILE 27 1HG2 ILE 27 0.601 2.446 6.007 191 HG22 ILE 27 2HG2 ILE 27 1.198 1.480 4.657 192 HG23 ILE 27 3HG2 ILE 27 2.330 2.383 5.666 193 HD11 ILE 27 3HD1 ILE 27 1.267 -0.356 4.176 194 HD12 ILE 27 1HD1 ILE 27 1.050 -1.825 5.131 195 HD13 ILE 27 2HD1 ILE 27 2.509 -1.607 4.165 196 H THR 28 H THR 28 2.649 3.553 7.801 197 HA THR 28 HA THR 28 0.209 4.319 9.318 198 HB THR 28 HB THR 28 2.923 5.659 9.428 199 HG1 THR 28 1HG THR 28 1.611 3.767 11.040 200 HG21 THR 28 3HG2 THR 28 1.722 6.641 11.546 201 HG22 THR 28 1HG2 THR 28 0.244 6.217 10.684 202 HG23 THR 28 2HG2 THR 28 1.394 7.346 9.965 203 H THR 29 H THR 29 -0.211 6.732 9.045 204 HA THR 29 HA THR 29 -0.830 7.242 6.316 205 HB THR 29 HB THR 29 -1.632 9.420 7.130 206 HG1 THR 29 1HG THR 29 -0.430 10.190 8.671 207 HG21 THR 29 3HG2 THR 29 -2.223 7.020 8.870 208 HG22 THR 29 1HG2 THR 29 -3.157 7.624 7.505 209 HG23 THR 29 2HG2 THR 29 -3.110 8.534 9.012 210 H LYS 30 H LYS 30 1.657 8.398 8.520 211 HA LYS 30 HA LYS 30 2.747 10.346 6.728 212 HB2 LYS 30 2HB LYS 30 3.846 9.071 9.238 213 HB3 LYS 30 1HB LYS 30 4.661 10.363 8.351 214 HG2 LYS 30 2HG LYS 30 2.707 11.826 8.647 215 HG3 LYS 30 1HG LYS 30 1.857 10.537 9.501 216 HD2 LYS 30 2HD LYS 30 3.609 10.529 11.240 217 HD3 LYS 30 1HD LYS 30 4.458 11.822 10.391 218 HE2 LYS 30 2HE LYS 30 2.490 13.293 10.666 219 HE3 LYS 30 1HE LYS 30 1.649 12.002 11.524 220 HZ1 LYS 30 3HZ LYS 30 3.685 12.018 13.045 221 HZ2 LYS 30 1HZ LYS 30 2.562 13.279 13.209 222 HZ3 LYS 30 2HZ LYS 30 4.019 13.542 12.372 223 H GLU 31 H GLU 31 3.609 7.019 7.587 224 HA GLU 31 HA GLU 31 5.996 6.823 6.114 225 HB2 GLU 31 2HB GLU 31 3.903 4.795 6.923 226 HB3 GLU 31 1HB GLU 31 5.388 4.336 6.085 227 HG2 GLU 31 2HG GLU 31 6.754 5.163 7.863 228 HG3 GLU 31 1HG GLU 31 5.389 5.976 8.629 229 H LEU 32 H LEU 32 2.726 5.731 5.194 230 HA LEU 32 HA LEU 32 3.372 5.224 2.488 231 HB2 LEU 32 2HB LEU 32 1.452 4.203 3.316 232 HB3 LEU 32 1HB LEU 32 0.795 5.690 3.985 233 HG LEU 32 HG LEU 32 0.499 6.489 1.573 234 HD11 LEU 32 1HD1 LEU 32 2.136 4.977 0.548 235 HD12 LEU 32 2HD1 LEU 32 0.537 4.699 -0.140 236 HD13 LEU 32 3HD1 LEU 32 1.182 3.585 1.067 237 HD21 LEU 32 3HD2 LEU 32 -0.904 3.926 2.373 238 HD22 LEU 32 1HD2 LEU 32 -1.495 5.090 1.190 239 HD23 LEU 32 2HD2 LEU 32 -1.367 5.545 2.890 240 H GLY 33 H GLY 33 1.987 8.036 4.114 241 HA2 GLY 33 2HA GLY 33 1.415 9.603 1.907 242 HA3 GLY 33 1HA GLY 33 1.919 10.251 3.466 243 H THR 34 H THR 34 4.487 9.054 3.537 244 HA THR 34 HA THR 34 5.990 10.988 2.155 245 HB THR 34 HB THR 34 6.996 8.301 3.105 246 HG1 THR 34 1HG THR 34 6.411 8.968 4.988 247 HG21 THR 34 3HG2 THR 34 8.492 9.826 1.729 248 HG22 THR 34 1HG2 THR 34 9.104 9.413 3.331 249 HG23 THR 34 2HG2 THR 34 8.375 10.992 3.046 250 H VAL 35 H VAL 35 5.489 7.477 1.437 251 HA VAL 35 HA VAL 35 6.969 7.447 -0.938 252 HB VAL 35 HB VAL 35 4.587 5.759 -0.090 253 HG11 VAL 35 1HG1 VAL 35 5.808 4.088 -1.644 254 HG12 VAL 35 2HG1 VAL 35 6.656 5.495 -2.288 255 HG13 VAL 35 3HG1 VAL 35 4.899 5.388 -2.416 256 HG21 VAL 35 3HG2 VAL 35 7.570 5.548 0.367 257 HG22 VAL 35 1HG2 VAL 35 6.512 4.146 0.475 258 HG23 VAL 35 2HG2 VAL 35 6.278 5.506 1.570 259 H MET 36 H MET 36 3.583 8.120 -0.280 260 HA MET 36 HA MET 36 2.793 8.255 -3.046 261 HB2 MET 36 2HB MET 36 1.468 9.351 -0.562 262 HB3 MET 36 1HB MET 36 0.743 9.381 -2.173 263 HG2 MET 36 2HG MET 36 0.996 6.917 -2.314 264 HG3 MET 36 1HG MET 36 1.654 6.907 -0.681 265 HE1 MET 36 3HE MET 36 -1.518 6.156 -2.586 266 HE2 MET 36 1HE MET 36 -1.159 7.845 -2.977 267 HE3 MET 36 2HE MET 36 -2.629 7.434 -2.097 268 H ARG 37 H ARG 37 3.643 10.717 -0.653 269 HA ARG 37 HA ARG 37 3.259 12.957 -2.362 270 HB2 ARG 37 2HB ARG 37 3.339 13.164 0.079 271 HB3 ARG 37 1HB ARG 37 5.061 12.771 0.045 272 HG2 ARG 37 2HG ARG 37 5.563 14.725 -1.266 273 HG3 ARG 37 1HG ARG 37 3.848 15.055 -1.531 274 HD2 ARG 37 2HD ARG 37 3.515 15.488 0.818 275 HD3 ARG 37 1HD ARG 37 5.171 15.019 1.176 276 HE ARG 37 HE ARG 37 5.369 17.066 -0.679 277 HH11 ARG 37 1HH2 ARG 37 3.988 16.639 2.481 278 HH12 ARG 37 2HH2 ARG 37 4.203 18.294 2.942 279 HH21 ARG 37 1HH1 ARG 37 5.654 19.227 -0.069 280 HH22 ARG 37 2HH1 ARG 37 5.139 19.760 1.498 281 H SER 38 H SER 38 6.229 11.260 -1.384 282 HA SER 38 HA SER 38 8.045 12.725 -2.891 283 HB2 SER 38 2HB SER 38 8.994 11.215 -1.368 284 HB3 SER 38 1HB SER 38 8.002 9.874 -1.936 285 HG SER 38 HG SER 38 9.358 9.543 -3.533 286 H LEU 39 H LEU 39 5.671 10.432 -3.939 287 HA LEU 39 HA LEU 39 6.943 9.991 -6.528 288 HB2 LEU 39 2HB LEU 39 4.372 9.048 -5.279 289 HB3 LEU 39 1HB LEU 39 4.793 8.697 -6.952 290 HG LEU 39 HG LEU 39 6.662 8.062 -4.653 291 HD11 LEU 39 1HD1 LEU 39 4.394 6.912 -4.438 292 HD12 LEU 39 2HD1 LEU 39 5.779 5.833 -4.555 293 HD13 LEU 39 3HD1 LEU 39 4.755 6.106 -5.962 294 HD21 LEU 39 3HD2 LEU 39 7.344 6.262 -6.440 295 HD22 LEU 39 1HD2 LEU 39 7.890 7.919 -6.665 296 HD23 LEU 39 2HD2 LEU 39 6.511 7.312 -7.579 297 H GLY 40 H GLY 40 4.749 12.209 -5.101 298 HA2 GLY 40 2HA GLY 40 4.209 14.252 -6.231 299 HA3 GLY 40 1HA GLY 40 4.238 13.389 -7.762 300 H GLN 41 H GLN 41 2.678 11.502 -5.488 301 HA GLN 41 HA GLN 41 0.125 11.923 -6.736 302 HB2 GLN 41 2HB GLN 41 1.014 10.183 -4.432 303 HB3 GLN 41 1HB GLN 41 -0.630 10.216 -5.048 304 HG2 GLN 41 2HG GLN 41 0.130 9.549 -7.263 305 HG3 GLN 41 1HG GLN 41 1.810 9.621 -6.735 306 HE21 GLN 41 1HE2 GLN 41 1.374 7.207 -7.647 307 HE22 GLN 41 2HE2 GLN 41 1.012 6.074 -6.437 308 H ASN 42 H ASN 42 -1.843 12.455 -5.594 309 HA ASN 42 HA ASN 42 -2.092 14.863 -4.478 310 HB2 ASN 42 2HB ASN 42 -3.653 12.631 -3.238 311 HB3 ASN 42 1HB ASN 42 -4.185 14.261 -3.634 312 HD21 ASN 42 1HD2 ASN 42 -5.197 14.528 -5.643 313 HD22 ASN 42 2HD2 ASN 42 -5.173 13.376 -6.889 314 HA PRO 43 HA PRO 43 0.627 14.204 -0.800 315 HB2 PRO 43 2HB PRO 43 0.227 17.166 -0.652 316 HB3 PRO 43 1HB PRO 43 1.732 16.227 -0.581 317 HG2 PRO 43 2HG PRO 43 1.065 17.621 -2.754 318 HG3 PRO 43 1HG PRO 43 1.886 16.053 -2.875 319 HD2 PRO 43 2HD PRO 43 -1.006 16.706 -3.357 320 HD3 PRO 43 1HD PRO 43 0.048 15.554 -4.199 321 H THR 44 H THR 44 -2.543 15.274 -1.228 322 HA THR 44 HA THR 44 -3.390 16.321 1.169 323 HB THR 44 HB THR 44 -5.578 15.134 0.707 324 HG1 THR 44 1HG THR 44 -5.013 14.363 -1.749 325 HG21 THR 44 3HG2 THR 44 -6.041 16.457 -1.264 326 HG22 THR 44 1HG2 THR 44 -4.328 16.517 -1.681 327 HG23 THR 44 2HG2 THR 44 -4.919 17.365 -0.251 328 H GLU 45 H GLU 45 -2.037 15.397 2.788 329 HA GLU 45 HA GLU 45 -1.914 12.703 3.525 330 HB2 GLU 45 2HB GLU 45 -1.142 13.512 5.688 331 HB3 GLU 45 1HB GLU 45 -0.445 14.513 4.416 332 HG2 GLU 45 2HG GLU 45 -2.297 16.163 4.775 333 HG3 GLU 45 1HG GLU 45 -2.839 15.194 6.143 334 H ALA 46 H ALA 46 -4.568 14.667 3.410 335 HA ALA 46 HA ALA 46 -5.976 13.634 5.742 336 HB1 ALA 46 1HB ALA 46 -6.482 15.898 5.068 337 HB2 ALA 46 2HB ALA 46 -7.905 14.900 4.763 338 HB3 ALA 46 3HB ALA 46 -6.855 15.372 3.428 339 H GLU 47 H GLU 47 -5.923 13.184 2.243 340 HA GLU 47 HA GLU 47 -8.144 11.495 1.969 341 HB2 GLU 47 2HB GLU 47 -6.919 12.502 0.067 342 HB3 GLU 47 1HB GLU 47 -5.543 11.454 0.408 343 HG2 GLU 47 2HG GLU 47 -6.926 9.470 -0.016 344 HG3 GLU 47 1HG GLU 47 -8.330 10.495 -0.310 345 H LEU 48 H LEU 48 -4.742 10.771 2.667 346 HA LEU 48 HA LEU 48 -5.023 7.942 2.763 347 HB2 LEU 48 2HB LEU 48 -3.016 9.901 3.865 348 HB3 LEU 48 1HB LEU 48 -2.879 8.174 4.197 349 HG LEU 48 HG LEU 48 -2.685 7.640 1.865 350 HD11 LEU 48 1HD1 LEU 48 -4.284 9.107 0.850 351 HD12 LEU 48 2HD1 LEU 48 -2.722 9.556 0.167 352 HD13 LEU 48 3HD1 LEU 48 -3.445 10.544 1.435 353 HD21 LEU 48 3HD2 LEU 48 -0.758 9.261 1.194 354 HD22 LEU 48 1HD2 LEU 48 -0.558 8.291 2.649 355 HD23 LEU 48 2HD2 LEU 48 -1.011 9.990 2.774 356 H GLN 49 H GLN 49 -4.779 10.385 5.359 357 HA GLN 49 HA GLN 49 -5.144 8.789 7.565 358 HB2 GLN 49 2HB GLN 49 -6.178 11.566 7.001 359 HB3 GLN 49 1HB GLN 49 -6.370 10.788 8.572 360 HG2 GLN 49 2HG GLN 49 -4.032 10.645 8.912 361 HG3 GLN 49 1HG GLN 49 -3.676 11.009 7.230 362 HE21 GLN 49 1HE2 GLN 49 -2.323 12.695 8.739 363 HE22 GLN 49 2HE2 GLN 49 -3.092 14.195 8.944 364 H ASP 50 H ASP 50 -7.609 9.926 5.330 365 HA ASP 50 HA ASP 50 -9.814 8.883 6.851 366 HB2 ASP 50 2HB ASP 50 -9.898 10.785 5.169 367 HB3 ASP 50 1HB ASP 50 -9.797 9.554 3.912 368 H MET 51 H MET 51 -7.983 7.784 4.000 369 HA MET 51 HA MET 51 -9.562 5.497 3.470 370 HB2 MET 51 2HB MET 51 -6.709 6.236 2.824 371 HB3 MET 51 1HB MET 51 -7.407 4.700 2.311 372 HG2 MET 51 2HG MET 51 -8.644 7.396 1.695 373 HG3 MET 51 1HG MET 51 -7.578 6.531 0.589 374 HE1 MET 51 3HE MET 51 -9.734 7.352 -0.632 375 HE2 MET 51 1HE MET 51 -11.114 7.342 0.476 376 HE3 MET 51 2HE MET 51 -11.105 6.289 -0.937 377 H ILE 52 H ILE 52 -6.580 5.912 5.363 378 HA ILE 52 HA ILE 52 -6.349 3.173 6.093 379 HB ILE 52 HB ILE 52 -5.217 5.683 7.379 380 HG12 ILE 52 2HG1 ILE 52 -4.200 3.633 5.391 381 HG13 ILE 52 1HG1 ILE 52 -4.276 5.381 5.212 382 HG21 ILE 52 1HG2 ILE 52 -5.413 3.694 8.985 383 HG22 ILE 52 2HG2 ILE 52 -3.782 4.265 8.706 384 HG23 ILE 52 3HG2 ILE 52 -4.352 2.814 7.891 385 HD11 ILE 52 3HD1 ILE 52 -2.004 5.026 5.645 386 HD12 ILE 52 1HD1 ILE 52 -2.323 3.722 6.787 387 HD13 ILE 52 2HD1 ILE 52 -2.625 5.393 7.250 388 H ASN 53 H ASN 53 -7.855 5.987 7.614 389 HA ASN 53 HA ASN 53 -8.537 4.849 10.062 390 HB2 ASN 53 2HB ASN 53 -9.767 7.012 8.371 391 HB3 ASN 53 1HB ASN 53 -10.544 6.513 9.870 392 HD21 ASN 53 1HD2 ASN 53 -9.356 9.149 9.420 393 HD22 ASN 53 2HD2 ASN 53 -8.073 9.310 10.521 394 H GLU 54 H GLU 54 -10.206 4.671 6.937 395 HA GLU 54 HA GLU 54 -12.452 3.234 8.038 396 HB2 GLU 54 2HB GLU 54 -12.607 4.720 6.032 397 HB3 GLU 54 1HB GLU 54 -11.637 3.552 5.139 398 HG2 GLU 54 2HG GLU 54 -13.944 3.084 4.642 399 HG3 GLU 54 1HG GLU 54 -13.384 1.806 5.716 400 H VAL 55 H VAL 55 -9.607 2.400 6.069 401 HA VAL 55 HA VAL 55 -10.258 -0.348 5.801 402 HB VAL 55 HB VAL 55 -7.616 1.105 5.557 403 HG11 VAL 55 1HG1 VAL 55 -8.386 -1.773 5.053 404 HG12 VAL 55 2HG1 VAL 55 -7.047 -1.160 6.023 405 HG13 VAL 55 3HG1 VAL 55 -6.997 -1.024 4.267 406 HG21 VAL 55 3HG2 VAL 55 -9.433 -0.077 3.437 407 HG22 VAL 55 1HG2 VAL 55 -8.031 0.965 3.183 408 HG23 VAL 55 2HG2 VAL 55 -9.494 1.616 3.927 409 H ASP 56 H ASP 56 -8.177 1.371 8.122 410 HA ASP 56 HA ASP 56 -6.973 -0.702 9.439 411 HB2 ASP 56 2HB ASP 56 -6.659 1.689 9.995 412 HB3 ASP 56 1HB ASP 56 -8.243 1.700 10.770 413 H ALA 57 H ALA 57 -7.670 -2.482 10.379 414 HA ALA 57 HA ALA 57 -10.494 -2.829 10.982 415 HB1 ALA 57 1HB ALA 57 -9.693 -5.189 11.557 416 HB2 ALA 57 2HB ALA 57 -8.116 -4.679 10.956 417 HB3 ALA 57 3HB ALA 57 -9.513 -4.674 9.880 418 H ASP 58 H ASP 58 -7.455 -2.551 12.791 419 HA ASP 58 HA ASP 58 -8.751 -3.240 15.305 420 HB2 ASP 58 2HB ASP 58 -6.388 -3.874 14.744 421 HB3 ASP 58 1HB ASP 58 -5.966 -2.166 14.835 422 H GLY 59 H GLY 59 -8.512 -0.462 13.420 423 HA2 GLY 59 2HA GLY 59 -9.075 1.741 13.843 424 HA3 GLY 59 1HA GLY 59 -9.688 1.202 15.407 425 H ASN 60 H ASN 60 -6.438 0.475 14.502 426 HA ASN 60 HA ASN 60 -5.397 1.998 16.745 427 HB2 ASN 60 2HB ASN 60 -3.269 0.893 16.159 428 HB3 ASN 60 1HB ASN 60 -4.581 -0.270 16.324 429 HD21 ASN 60 1HD2 ASN 60 -2.471 -1.163 14.820 430 HD22 ASN 60 2HD2 ASN 60 -2.849 -1.136 13.166 431 H GLY 61 H GLY 61 -5.711 2.323 13.339 432 HA2 GLY 61 2HA GLY 61 -5.471 4.448 12.258 433 HA3 GLY 61 1HA GLY 61 -4.208 4.865 13.410 434 H THR 62 H THR 62 -3.534 1.788 12.734 435 HA THR 62 HA THR 62 -1.913 2.389 10.313 436 HB THR 62 HB THR 62 -0.068 1.162 11.262 437 HG1 THR 62 1HG THR 62 -0.228 0.233 13.281 438 HG21 THR 62 3HG2 THR 62 -0.431 3.586 11.881 439 HG22 THR 62 1HG2 THR 62 0.569 2.673 13.012 440 HG23 THR 62 2HG2 THR 62 -1.117 3.016 13.402 441 H ILE 63 H ILE 63 -1.181 0.426 9.154 442 HA ILE 63 HA ILE 63 -3.280 -1.670 9.219 443 HB ILE 63 HB ILE 63 -1.382 -1.129 6.939 444 HG12 ILE 63 2HG1 ILE 63 -2.583 0.944 7.339 445 HG13 ILE 63 1HG1 ILE 63 -3.278 0.157 5.924 446 HG21 ILE 63 1HG2 ILE 63 -4.046 -2.549 7.161 447 HG22 ILE 63 2HG2 ILE 63 -2.473 -3.299 6.878 448 HG23 ILE 63 3HG2 ILE 63 -3.189 -2.257 5.648 449 HD11 ILE 63 3HD1 ILE 63 -5.178 0.765 7.149 450 HD12 ILE 63 1HD1 ILE 63 -4.413 0.411 8.694 451 HD13 ILE 63 2HD1 ILE 63 -4.939 -0.907 7.650 452 H ASP 64 H ASP 64 -2.690 -3.477 10.162 453 HA ASP 64 HA ASP 64 -0.002 -4.124 10.768 454 HB2 ASP 64 2HB ASP 64 -2.265 -6.105 10.766 455 HB3 ASP 64 1HB ASP 64 -0.865 -6.034 11.833 456 H PHE 65 H PHE 65 0.652 -6.525 10.282 457 HA PHE 65 HA PHE 65 1.312 -6.622 7.505 458 HB2 PHE 65 2HB PHE 65 1.957 -9.109 8.870 459 HB3 PHE 65 1HB PHE 65 3.054 -7.858 8.298 460 HD1 PHE 65 1HD PHE 65 2.589 -5.552 9.875 461 HD2 PHE 65 2HD PHE 65 2.396 -9.652 11.132 462 HE1 PHE 65 1HE PHE 65 3.005 -4.852 12.225 463 HE2 PHE 65 2HE PHE 65 2.805 -8.948 13.481 464 HZ PHE 65 HZ PHE 65 3.106 -6.549 14.022 465 HA PRO 66 HA PRO 66 -1.379 -10.614 7.496 466 HB2 PRO 66 2HB PRO 66 -3.311 -10.834 9.459 467 HB3 PRO 66 1HB PRO 66 -1.686 -11.537 9.587 468 HG2 PRO 66 2HG PRO 66 -2.750 -9.003 10.751 469 HG3 PRO 66 1HG PRO 66 -1.667 -10.211 11.471 470 HD2 PRO 66 2HD PRO 66 -0.757 -7.870 10.454 471 HD3 PRO 66 1HD PRO 66 0.218 -9.340 10.414 472 H GLU 67 H GLU 67 -2.877 -7.618 8.673 473 HA GLU 67 HA GLU 67 -5.401 -7.954 7.503 474 HB2 GLU 67 2HB GLU 67 -3.806 -5.443 8.045 475 HB3 GLU 67 1HB GLU 67 -5.524 -5.472 7.640 476 HG2 GLU 67 2HG GLU 67 -4.341 -6.996 9.976 477 HG3 GLU 67 1HG GLU 67 -5.018 -5.376 10.122 478 H PHE 68 H PHE 68 -2.582 -6.178 6.218 479 HA PHE 68 HA PHE 68 -3.700 -5.457 3.757 480 HB2 PHE 68 2HB PHE 68 -1.565 -4.616 4.776 481 HB3 PHE 68 1HB PHE 68 -0.809 -6.125 4.272 482 HD1 PHE 68 1HD PHE 68 -0.913 -6.770 1.795 483 HD2 PHE 68 2HD PHE 68 -1.871 -2.846 3.251 484 HE1 PHE 68 1HE PHE 68 -0.596 -5.848 -0.486 485 HE2 PHE 68 2HE PHE 68 -1.555 -1.921 0.970 486 HZ PHE 68 HZ PHE 68 -0.919 -3.424 -0.897 487 H LEU 69 H LEU 69 -1.567 -8.173 4.571 488 HA LEU 69 HA LEU 69 -1.712 -9.417 2.040 489 HB2 LEU 69 2HB LEU 69 0.109 -9.973 3.442 490 HB3 LEU 69 1HB LEU 69 -0.954 -10.450 4.774 491 HG LEU 69 HG LEU 69 -1.328 -11.908 2.190 492 HD11 LEU 69 1HD1 LEU 69 1.183 -12.104 3.832 493 HD12 LEU 69 2HD1 LEU 69 1.000 -12.021 2.077 494 HD13 LEU 69 3HD1 LEU 69 0.575 -13.497 2.934 495 HD21 LEU 69 3HD2 LEU 69 -0.981 -13.096 4.950 496 HD22 LEU 69 1HD2 LEU 69 -1.894 -13.735 3.586 497 HD23 LEU 69 2HD2 LEU 69 -2.502 -12.347 4.484 498 H THR 70 H THR 70 -3.583 -9.855 4.999 499 HA THR 70 HA THR 70 -5.045 -12.109 4.469 500 HB THR 70 HB THR 70 -5.760 -9.532 5.792 501 HG1 THR 70 1HG THR 70 -5.529 -10.712 7.594 502 HG21 THR 70 3HG2 THR 70 -7.818 -10.824 6.677 503 HG22 THR 70 1HG2 THR 70 -7.612 -11.835 5.246 504 HG23 THR 70 2HG2 THR 70 -7.920 -10.108 5.069 505 H MET 71 H MET 71 -6.223 -8.811 3.615 506 HA MET 71 HA MET 71 -8.352 -9.792 2.100 507 HB2 MET 71 2HB MET 71 -8.228 -7.517 0.921 508 HB3 MET 71 1HB MET 71 -8.482 -7.512 2.660 509 HG2 MET 71 2HG MET 71 -5.907 -7.258 2.852 510 HG3 MET 71 1HG MET 71 -5.948 -6.861 1.143 511 HE1 MET 71 3HE MET 71 -7.119 -6.212 4.615 512 HE2 MET 71 1HE MET 71 -7.430 -4.476 4.715 513 HE3 MET 71 2HE MET 71 -5.782 -5.063 4.535 514 H MET 72 H MET 72 -5.485 -8.249 0.676 515 HA MET 72 HA MET 72 -5.818 -9.112 -1.869 516 HB2 MET 72 2HB MET 72 -3.622 -8.509 -2.315 517 HB3 MET 72 1HB MET 72 -3.969 -7.608 -0.841 518 HG2 MET 72 2HG MET 72 -1.974 -8.571 -0.217 519 HG3 MET 72 1HG MET 72 -3.044 -9.857 0.281 520 HE1 MET 72 3HE MET 72 -0.668 -9.475 -3.556 521 HE2 MET 72 1HE MET 72 0.149 -9.167 -2.017 522 HE3 MET 72 2HE MET 72 -1.275 -8.232 -2.464 523 H ALA 73 H ALA 73 -4.960 -10.963 0.845 524 HA ALA 73 HA ALA 73 -4.797 -13.415 -0.784 525 HB1 ALA 73 1HB ALA 73 -2.817 -14.096 0.182 526 HB2 ALA 73 2HB ALA 73 -3.097 -13.169 1.656 527 HB3 ALA 73 3HB ALA 73 -2.569 -12.351 0.190 528 H ARG 74 H ARG 74 -7.155 -13.202 0.090 529 HA ARG 74 HA ARG 74 -7.743 -13.636 2.807 530 HB2 ARG 74 2HB ARG 74 -9.155 -14.293 0.230 531 HB3 ARG 74 1HB ARG 74 -9.848 -14.762 1.779 532 HG2 ARG 74 2HG ARG 74 -10.632 -12.653 2.119 533 HG3 ARG 74 1HG ARG 74 -9.018 -11.982 1.939 534 HD2 ARG 74 2HD ARG 74 -9.274 -11.819 -0.451 535 HD3 ARG 74 1HD ARG 74 -10.806 -12.686 -0.399 536 HE ARG 74 HE ARG 74 -10.354 -9.896 0.329 537 HH11 ARG 74 1HH2 ARG 74 -12.406 -12.684 0.444 538 HH12 ARG 74 2HH2 ARG 74 -13.850 -11.783 0.762 539 HH21 ARG 74 1HH1 ARG 74 -12.236 -8.701 0.752 540 HH22 ARG 74 2HH1 ARG 74 -13.753 -9.516 0.938 541 H LYS 75 H LYS 75 -7.809 -16.140 0.225 542 HA LYS 75 HA LYS 75 -7.868 -18.282 2.048 543 HB2 LYS 75 2HB LYS 75 -7.031 -18.121 -0.852 544 HB3 LYS 75 1HB LYS 75 -7.219 -19.634 0.034 545 HG2 LYS 75 2HG LYS 75 -9.574 -19.086 0.499 546 HG3 LYS 75 1HG LYS 75 -9.392 -17.554 -0.356 547 HD2 LYS 75 2HD LYS 75 -8.880 -18.743 -2.438 548 HD3 LYS 75 1HD LYS 75 -8.989 -20.292 -1.601 549 HE2 LYS 75 2HE LYS 75 -11.355 -19.840 -1.062 550 HE3 LYS 75 1HE LYS 75 -11.249 -18.289 -1.891 551 HZ1 LYS 75 3HZ LYS 75 -11.265 -20.999 -3.008 552 HZ2 LYS 75 1HZ LYS 75 -10.404 -19.794 -3.835 553 HZ3 LYS 75 2HZ LYS 75 -12.067 -19.602 -3.547 554 H MET 76 H MET 76 -6.170 -19.960 2.241 555 HA MET 76 HA MET 76 -4.019 -20.685 2.646 556 HB2 MET 76 2HB MET 76 -3.619 -19.216 0.459 557 HB3 MET 76 1HB MET 76 -2.815 -18.141 1.597 558 HG2 MET 76 2HG MET 76 -1.046 -19.529 0.965 559 HG3 MET 76 1HG MET 76 -1.627 -20.367 2.403 560 HE1 MET 76 3HE MET 76 -0.960 -20.435 -1.300 561 HE2 MET 76 1HE MET 76 -0.953 -22.190 -1.520 562 HE3 MET 76 2HE MET 76 0.064 -21.449 -0.288 563 H LYS 77 H LYS 77 -1.799 -18.889 3.319 564 HA LYS 77 HA LYS 77 -2.508 -18.377 6.082 565 HB2 LYS 77 2HB LYS 77 0.078 -18.063 4.536 566 HB3 LYS 77 1HB LYS 77 -0.083 -17.787 6.271 567 HG2 LYS 77 2HG LYS 77 -0.824 -20.105 6.594 568 HG3 LYS 77 1HG LYS 77 -0.737 -20.390 4.855 569 HD2 LYS 77 2HD LYS 77 1.690 -19.855 4.917 570 HD3 LYS 77 1HD LYS 77 1.589 -19.680 6.668 571 HE2 LYS 77 2HE LYS 77 0.829 -22.205 5.169 572 HE3 LYS 77 1HE LYS 77 2.400 -21.942 5.924 573 HZ1 LYS 77 3HZ LYS 77 1.234 -21.591 8.047 574 HZ2 LYS 77 1HZ LYS 77 0.988 -23.147 7.417 575 HZ3 LYS 77 2HZ LYS 77 -0.237 -21.977 7.290 576 H1 GLY 45 1HT GLY 45 -11.577 -0.866 -7.024 577 H2 GLY 45 2HT GLY 45 -12.119 0.640 -7.593 578 H3 GLY 45 3HT GLY 45 -12.470 -0.776 -8.463 579 HA2 GLY 45 2HA GLY 45 -14.324 -1.097 -7.325 580 HA3 GLY 45 1HA GLY 45 -13.407 -1.066 -5.819 581 H THR 46 H THR 46 -14.259 0.388 -4.456 582 HA THR 46 HA THR 46 -15.884 2.573 -5.271 583 HB THR 46 HB THR 46 -15.667 3.308 -2.894 584 HG1 THR 46 1HG THR 46 -14.215 0.960 -2.421 585 HG21 THR 46 3HG2 THR 46 -16.225 0.360 -3.338 586 HG22 THR 46 1HG2 THR 46 -17.382 1.677 -3.528 587 HG23 THR 46 2HG2 THR 46 -16.740 1.290 -1.932 588 H GLY 47 H GLY 47 -12.467 2.198 -4.611 589 HA2 GLY 47 2HA GLY 47 -11.327 4.102 -6.080 590 HA3 GLY 47 1HA GLY 47 -11.952 5.077 -4.751 591 H ALA 48 H ALA 48 -11.587 2.880 -2.828 592 HA ALA 48 HA ALA 48 -9.060 3.562 -1.814 593 HB1 ALA 48 1HB ALA 48 -9.450 1.710 -0.229 594 HB2 ALA 48 2HB ALA 48 -10.801 1.163 -1.224 595 HB3 ALA 48 3HB ALA 48 -10.878 2.730 -0.417 596 H ALA 49 H ALA 49 -10.104 0.604 -3.527 597 HA ALA 49 HA ALA 49 -7.632 -0.743 -3.370 598 HB1 ALA 49 1HB ALA 49 -8.495 -2.114 -5.238 599 HB2 ALA 49 2HB ALA 49 -9.810 -0.961 -5.462 600 HB3 ALA 49 3HB ALA 49 -9.703 -1.897 -3.970 601 H LEU 50 H LEU 50 -8.926 1.532 -5.734 602 HA LEU 50 HA LEU 50 -6.890 1.263 -7.674 603 HB2 LEU 50 2HB LEU 50 -8.991 2.380 -8.183 604 HB3 LEU 50 1HB LEU 50 -8.651 3.623 -6.982 605 HG LEU 50 HG LEU 50 -6.729 4.408 -8.270 606 HD11 LEU 50 1HD1 LEU 50 -5.782 2.518 -9.298 607 HD12 LEU 50 2HD1 LEU 50 -6.514 3.363 -10.658 608 HD13 LEU 50 3HD1 LEU 50 -7.329 1.972 -9.943 609 HD21 LEU 50 3HD2 LEU 50 -9.078 4.008 -10.145 610 HD22 LEU 50 1HD2 LEU 50 -7.924 5.342 -10.149 611 HD23 LEU 50 2HD2 LEU 50 -9.074 5.176 -8.824 612 H SER 51 H SER 51 -7.241 3.386 -4.864 613 HA SER 51 HA SER 51 -4.965 4.985 -5.259 614 HB2 SER 51 2HB SER 51 -6.307 4.082 -2.700 615 HB3 SER 51 1HB SER 51 -5.101 5.363 -2.794 616 HG SER 51 HG SER 51 -6.579 6.319 -4.406 617 H TRP 52 H TRP 52 -5.398 1.935 -3.513 618 HA TRP 52 HA TRP 52 -2.715 1.711 -2.616 619 HB2 TRP 52 2HB TRP 52 -4.989 -0.238 -2.957 620 HB3 TRP 52 1HB TRP 52 -3.391 -0.793 -2.461 621 HD1 TRP 52 HD TRP 52 -6.523 0.410 -1.037 622 HE1 TRP 52 1HE TRP 52 -6.208 1.155 1.414 623 HE3 TRP 52 3HE TRP 52 -1.425 0.673 -0.839 624 HZ2 TRP 52 2HZ TRP 52 -4.075 1.770 3.221 625 HZ3 TRP 52 3HZ TRP 52 -0.277 1.335 1.253 626 HH2 TRP 52 HH TRP 52 -1.587 1.885 3.284 627 H GLN 53 H GLN 53 -4.411 0.426 -5.466 628 HA GLN 53 HA GLN 53 -2.238 -1.073 -6.479 629 HB2 GLN 53 2HB GLN 53 -4.608 -1.343 -7.199 630 HB3 GLN 53 1HB GLN 53 -4.504 0.207 -8.030 631 HG2 GLN 53 2HG GLN 53 -4.121 -1.585 -9.635 632 HG3 GLN 53 1HG GLN 53 -2.616 -0.700 -9.400 633 HE21 GLN 53 1HE2 GLN 53 -1.098 -2.392 -9.724 634 HE22 GLN 53 2HE2 GLN 53 -1.060 -3.805 -8.784 635 H ALA 54 H ALA 54 -3.275 2.280 -7.052 636 HA ALA 54 HA ALA 54 -1.413 2.843 -9.104 637 HB1 ALA 54 1HB ALA 54 -3.303 4.300 -8.756 638 HB2 ALA 54 2HB ALA 54 -1.829 5.232 -8.496 639 HB3 ALA 54 3HB ALA 54 -2.771 4.670 -7.116 640 H ALA 55 H ALA 55 -1.221 3.186 -5.579 641 HA ALA 55 HA ALA 55 1.296 4.501 -5.530 642 HB1 ALA 55 1HB ALA 55 0.031 2.741 -3.419 643 HB2 ALA 55 2HB ALA 55 -0.269 4.467 -3.619 644 HB3 ALA 55 3HB ALA 55 1.337 3.898 -3.165 645 H ILE 56 H ILE 56 0.366 1.087 -5.351 646 HA ILE 56 HA ILE 56 2.950 0.036 -4.863 647 HB ILE 56 HB ILE 56 0.483 -1.162 -6.140 648 HG12 ILE 56 2HG1 ILE 56 1.704 -1.681 -3.418 649 HG13 ILE 56 1HG1 ILE 56 0.504 -0.419 -3.683 650 HG21 ILE 56 1HG2 ILE 56 2.305 -2.490 -6.939 651 HG22 ILE 56 2HG2 ILE 56 1.661 -3.356 -5.543 652 HG23 ILE 56 3HG2 ILE 56 3.139 -2.406 -5.388 653 HD11 ILE 56 3HD1 ILE 56 -0.711 -2.353 -2.968 654 HD12 ILE 56 1HD1 ILE 56 0.169 -3.402 -4.076 655 HD13 ILE 56 2HD1 ILE 56 -0.987 -2.225 -4.703 656 H ASP 57 H ASP 57 1.130 0.620 -7.847 657 HA ASP 57 HA ASP 57 2.949 -0.514 -9.658 658 HB2 ASP 57 2HB ASP 57 0.669 0.138 -10.278 659 HB3 ASP 57 1HB ASP 57 1.079 1.834 -10.044 660 H ALA 58 H ALA 58 2.651 2.854 -8.524 661 HA ALA 58 HA ALA 58 4.875 3.823 -10.006 662 HB1 ALA 58 1HB ALA 58 3.190 5.355 -9.183 663 HB2 ALA 58 2HB ALA 58 4.740 5.766 -8.447 664 HB3 ALA 58 3HB ALA 58 3.525 4.885 -7.517 665 H ALA 59 H ALA 59 4.510 2.569 -6.712 666 HA ALA 59 HA ALA 59 7.129 3.153 -5.811 667 HB1 ALA 59 1HB ALA 59 5.481 0.775 -4.948 668 HB2 ALA 59 2HB ALA 59 5.123 2.417 -4.412 669 HB3 ALA 59 3HB ALA 59 6.670 1.674 -4.004 670 H ARG 60 H ARG 60 5.714 0.303 -7.362 671 HA ARG 60 HA ARG 60 8.023 -1.321 -7.304 672 HB2 ARG 60 2HB ARG 60 5.621 -2.025 -7.807 673 HB3 ARG 60 1HB ARG 60 5.880 -1.389 -9.427 674 HG2 ARG 60 2HG ARG 60 6.494 -3.605 -9.763 675 HG3 ARG 60 1HG ARG 60 8.059 -2.916 -9.334 676 HD2 ARG 60 2HD ARG 60 7.662 -3.593 -6.962 677 HD3 ARG 60 1HD ARG 60 6.153 -4.349 -7.458 678 HE ARG 60 HE ARG 60 8.852 -5.321 -8.021 679 HH11 ARG 60 1HH2 ARG 60 5.435 -5.513 -8.586 680 HH12 ARG 60 2HH2 ARG 60 5.505 -7.088 -9.302 681 HH21 ARG 60 1HH1 ARG 60 8.949 -7.374 -8.973 682 HH22 ARG 60 2HH1 ARG 60 7.499 -8.137 -9.533 683 H GLN 61 H GLN 61 6.743 0.900 -9.773 684 HA GLN 61 HA GLN 61 8.734 0.399 -11.718 685 HB2 GLN 61 2HB GLN 61 6.596 1.557 -12.206 686 HB3 GLN 61 1HB GLN 61 7.143 2.939 -11.258 687 HG2 GLN 61 2HG GLN 61 9.071 3.223 -12.783 688 HG3 GLN 61 1HG GLN 61 8.519 1.844 -13.730 689 HE21 GLN 61 1HE2 GLN 61 7.349 2.464 -15.544 690 HE22 GLN 61 2HE2 GLN 61 6.394 3.862 -15.659 691 H ALA 62 H ALA 62 8.505 2.696 -9.050 692 HA ALA 62 HA ALA 62 10.851 4.166 -9.634 693 HB1 ALA 62 1HB ALA 62 9.618 3.648 -6.920 694 HB2 ALA 62 2HB ALA 62 9.064 4.888 -8.045 695 HB3 ALA 62 3HB ALA 62 10.686 4.981 -7.358 696 H LYS 63 H LYS 63 10.257 1.238 -7.744 697 HA LYS 63 HA LYS 63 12.829 0.998 -6.604 698 HB2 LYS 63 2HB LYS 63 10.827 -0.285 -5.861 699 HB3 LYS 63 1HB LYS 63 10.906 -1.220 -7.354 700 HG2 LYS 63 2HG LYS 63 13.127 -2.044 -6.766 701 HG3 LYS 63 1HG LYS 63 13.143 -1.041 -5.316 702 HD2 LYS 63 2HD LYS 63 11.170 -2.263 -4.454 703 HD3 LYS 63 1HD LYS 63 11.186 -3.287 -5.890 704 HE2 LYS 63 2HE LYS 63 13.502 -3.024 -3.951 705 HE3 LYS 63 1HE LYS 63 12.329 -4.341 -3.929 706 HZ1 LYS 63 3HZ LYS 63 13.079 -4.314 -6.502 707 HZ2 LYS 63 1HZ LYS 63 13.768 -5.313 -5.317 708 HZ3 LYS 63 2HZ LYS 63 14.525 -3.853 -5.740 709 H LEU 64 H LEU 64 11.437 -0.372 -9.579 710 HA LEU 64 HA LEU 64 13.770 -1.766 -10.385 711 HB2 LEU 64 2HB LEU 64 11.383 -0.750 -11.931 712 HB3 LEU 64 1HB LEU 64 12.636 -1.764 -12.644 713 HG LEU 64 HG LEU 64 11.070 -2.530 -10.162 714 HD11 LEU 64 1HD1 LEU 64 10.571 -3.284 -13.059 715 HD12 LEU 64 2HD1 LEU 64 9.517 -2.313 -12.029 716 HD13 LEU 64 3HD1 LEU 64 9.768 -4.021 -11.670 717 HD21 LEU 64 3HD2 LEU 64 12.976 -3.899 -10.168 718 HD22 LEU 64 1HD2 LEU 64 13.082 -3.923 -11.928 719 HD23 LEU 64 2HD2 LEU 64 11.852 -4.878 -11.102 720 H MET 65 H MET 65 12.522 1.458 -11.196 721 HA MET 65 HA MET 65 14.576 2.087 -13.062 722 HB2 MET 65 2HB MET 65 12.679 3.827 -11.477 723 HB3 MET 65 1HB MET 65 13.776 4.447 -12.711 724 HG2 MET 65 2HG MET 65 11.753 2.248 -13.216 725 HG3 MET 65 1HG MET 65 11.448 3.949 -13.560 726 HE1 MET 65 3HE MET 65 14.439 4.978 -14.917 727 HE2 MET 65 1HE MET 65 12.718 5.382 -14.860 728 HE3 MET 65 2HE MET 65 13.480 4.969 -16.393 729 H GLY 66 H GLY 66 14.228 2.572 -9.582 730 HA2 GLY 66 2HA GLY 66 15.978 2.752 -8.034 731 HA3 GLY 66 1HA GLY 66 17.104 3.019 -9.358 732 H SER 67 H SER 67 14.306 4.947 -9.587 733 HA SER 67 HA SER 67 13.999 7.227 -9.438 734 HB2 SER 67 2HB SER 67 13.874 6.599 -7.035 735 HB3 SER 67 1HB SER 67 15.607 6.892 -6.894 736 HG SER 67 HG SER 67 13.792 8.647 -6.542 737 H ALA 68 H ALA 68 15.144 9.378 -9.224 738 HA ALA 68 HA ALA 68 16.739 10.812 -10.048 739 HB1 ALA 68 1HB ALA 68 18.921 10.555 -9.187 740 HB2 ALA 68 2HB ALA 68 18.788 8.797 -9.135 741 HB3 ALA 68 3HB ALA 68 17.882 9.786 -7.988 Start of MODEL 20 1 H1 ALA 1 1HT ALA 1 -9.954 -25.404 -10.212 2 H2 ALA 1 2HT ALA 1 -8.944 -26.410 -9.286 3 H3 ALA 1 3HT ALA 1 -8.348 -24.950 -9.920 4 HA ALA 1 HA ALA 1 -10.368 -23.984 -8.518 5 HB1 ALA 1 2HB ALA 1 -10.331 -25.229 -6.326 6 HB2 ALA 1 3HB ALA 1 -9.438 -26.518 -7.130 7 HB3 ALA 1 1HB ALA 1 -11.083 -26.135 -7.639 8 H ASP 2 H ASP 2 -7.207 -25.125 -8.829 9 HA ASP 2 HA ASP 2 -5.912 -23.972 -6.616 10 HB2 ASP 2 2HB ASP 2 -4.927 -25.662 -8.128 11 HB3 ASP 2 1HB ASP 2 -4.846 -24.451 -9.405 12 H GLN 3 H GLN 3 -5.197 -21.971 -6.185 13 HA GLN 3 HA GLN 3 -5.128 -19.907 -8.264 14 HB2 GLN 3 2HB GLN 3 -6.495 -18.361 -6.863 15 HB3 GLN 3 1HB GLN 3 -7.415 -19.743 -7.458 16 HG2 GLN 3 2HG GLN 3 -7.076 -20.897 -5.302 17 HG3 GLN 3 1HG GLN 3 -6.177 -19.506 -4.700 18 HE21 GLN 3 1HE2 GLN 3 -9.369 -20.803 -5.196 19 HE22 GLN 3 2HE2 GLN 3 -10.228 -19.439 -4.662 20 H LEU 4 H LEU 4 -4.020 -17.967 -7.564 21 HA LEU 4 HA LEU 4 -2.471 -16.755 -6.355 22 HB2 LEU 4 2HB LEU 4 -3.808 -18.007 -4.352 23 HB3 LEU 4 1HB LEU 4 -2.231 -18.759 -4.150 24 HG LEU 4 HG LEU 4 -1.353 -16.257 -4.344 25 HD11 LEU 4 1HD1 LEU 4 -3.492 -15.233 -4.884 26 HD12 LEU 4 2HD1 LEU 4 -2.969 -14.678 -3.294 27 HD13 LEU 4 3HD1 LEU 4 -4.220 -15.909 -3.427 28 HD21 LEU 4 3HD2 LEU 4 -2.736 -17.370 -1.887 29 HD22 LEU 4 1HD2 LEU 4 -1.583 -16.037 -1.880 30 HD23 LEU 4 2HD2 LEU 4 -1.060 -17.647 -2.363 31 H THR 5 H THR 5 -0.179 -17.234 -5.234 32 HA THR 5 HA THR 5 1.190 -19.602 -5.976 33 HB THR 5 HB THR 5 0.910 -18.747 -8.243 34 HG1 THR 5 1HG THR 5 2.856 -19.409 -8.554 35 HG21 THR 5 3HG2 THR 5 1.966 -16.570 -8.851 36 HG22 THR 5 1HG2 THR 5 2.238 -16.263 -7.139 37 HG23 THR 5 2HG2 THR 5 0.595 -16.387 -7.756 38 H GLU 6 H GLU 6 3.624 -19.299 -5.740 39 HA GLU 6 HA GLU 6 4.258 -18.174 -3.288 40 HB2 GLU 6 2HB GLU 6 5.637 -19.844 -4.561 41 HB3 GLU 6 1HB GLU 6 6.156 -18.538 -5.622 42 HG2 GLU 6 2HG GLU 6 7.133 -17.341 -3.720 43 HG3 GLU 6 1HG GLU 6 6.574 -18.597 -2.619 44 H GLU 7 H GLU 7 4.904 -16.843 -6.490 45 HA GLU 7 HA GLU 7 6.127 -14.484 -5.852 46 HB2 GLU 7 2HB GLU 7 3.939 -14.178 -7.847 47 HB3 GLU 7 1HB GLU 7 5.664 -13.857 -8.018 48 HG2 GLU 7 2HG GLU 7 4.306 -16.565 -8.082 49 HG3 GLU 7 1HG GLU 7 5.026 -15.724 -9.445 50 H GLN 8 H GLN 8 2.570 -14.819 -6.184 51 HA GLN 8 HA GLN 8 1.692 -12.382 -5.529 52 HB2 GLN 8 2HB GLN 8 0.483 -14.694 -5.933 53 HB3 GLN 8 1HB GLN 8 0.376 -14.711 -4.176 54 HG2 GLN 8 2HG GLN 8 -1.637 -13.666 -4.911 55 HG3 GLN 8 1HG GLN 8 -0.613 -12.356 -4.331 56 HE21 GLN 8 1HE2 GLN 8 -2.142 -13.743 -7.169 57 HE22 GLN 8 2HE2 GLN 8 -1.673 -12.521 -8.249 58 H ILE 9 H ILE 9 2.299 -14.879 -2.981 59 HA ILE 9 HA ILE 9 1.695 -13.124 -0.886 60 HB ILE 9 HB ILE 9 3.133 -14.749 0.500 61 HG12 ILE 9 2HG1 ILE 9 3.135 -16.208 -2.152 62 HG13 ILE 9 1HG1 ILE 9 4.553 -15.452 -1.420 63 HG21 ILE 9 1HG2 ILE 9 0.934 -15.881 -1.256 64 HG22 ILE 9 2HG2 ILE 9 0.669 -14.928 0.206 65 HG23 ILE 9 3HG2 ILE 9 1.440 -16.510 0.310 66 HD11 ILE 9 3HD1 ILE 9 4.395 -16.927 0.498 67 HD12 ILE 9 1HD1 ILE 9 4.447 -17.871 -0.986 68 HD13 ILE 9 2HD1 ILE 9 2.918 -17.649 -0.145 69 H ALA 10 H ALA 10 4.865 -13.947 -2.307 70 HA ALA 10 HA ALA 10 6.446 -12.351 -0.654 71 HB1 ALA 10 1HB ALA 10 7.121 -14.073 -2.459 72 HB2 ALA 10 2HB ALA 10 8.145 -12.649 -2.254 73 HB3 ALA 10 3HB ALA 10 6.994 -12.723 -3.585 74 H GLU 11 H GLU 11 4.760 -11.610 -3.664 75 HA GLU 11 HA GLU 11 5.648 -9.005 -4.100 76 HB2 GLU 11 2HB GLU 11 3.014 -10.345 -4.708 77 HB3 GLU 11 1HB GLU 11 3.396 -8.715 -5.253 78 HG2 GLU 11 2HG GLU 11 5.126 -11.126 -5.843 79 HG3 GLU 11 1HG GLU 11 3.896 -10.519 -6.945 80 H PHE 12 H PHE 12 2.947 -10.148 -2.064 81 HA PHE 12 HA PHE 12 1.998 -7.577 -1.399 82 HB2 PHE 12 2HB PHE 12 0.383 -8.821 -0.387 83 HB3 PHE 12 1HB PHE 12 1.292 -10.255 -0.844 84 HD1 PHE 12 1HD PHE 12 1.399 -7.565 1.766 85 HD2 PHE 12 2HD PHE 12 1.850 -11.730 0.893 86 HE1 PHE 12 1HE PHE 12 1.843 -8.025 4.138 87 HE2 PHE 12 2HE PHE 12 2.312 -12.187 3.268 88 HZ PHE 12 HZ PHE 12 2.307 -10.333 4.903 89 H LYS 13 H LYS 13 4.377 -9.712 0.155 90 HA LYS 13 HA LYS 13 4.864 -8.093 2.405 91 HB2 LYS 13 2HB LYS 13 5.610 -10.462 2.156 92 HB3 LYS 13 1HB LYS 13 6.811 -9.930 0.987 93 HG2 LYS 13 2HG LYS 13 8.075 -9.970 2.958 94 HG3 LYS 13 1HG LYS 13 7.570 -8.288 2.911 95 HD2 LYS 13 2HD LYS 13 7.005 -8.829 5.094 96 HD3 LYS 13 1HD LYS 13 5.491 -9.187 4.289 97 HE2 LYS 13 2HE LYS 13 6.104 -11.564 4.150 98 HE3 LYS 13 1HE LYS 13 7.656 -11.213 4.911 99 HZ1 LYS 13 3HZ LYS 13 6.600 -11.576 6.816 100 HZ2 LYS 13 1HZ LYS 13 5.065 -11.495 6.095 101 HZ3 LYS 13 2HZ LYS 13 5.854 -10.068 6.575 102 H GLU 14 H GLU 14 6.451 -8.234 -0.760 103 HA GLU 14 HA GLU 14 8.485 -6.388 -0.335 104 HB2 GLU 14 2HB GLU 14 6.856 -6.990 -2.807 105 HB3 GLU 14 1HB GLU 14 8.274 -5.943 -2.821 106 HG2 GLU 14 2HG GLU 14 9.666 -7.779 -1.974 107 HG3 GLU 14 1HG GLU 14 8.259 -8.829 -1.879 108 H ALA 15 H ALA 15 5.199 -5.789 -1.584 109 HA ALA 15 HA ALA 15 5.392 -3.000 -1.789 110 HB1 ALA 15 1HB ALA 15 2.827 -4.359 -1.007 111 HB2 ALA 15 2HB ALA 15 3.541 -4.647 -2.592 112 HB3 ALA 15 3HB ALA 15 3.078 -3.012 -2.120 113 H PHE 16 H PHE 16 4.349 -5.041 0.920 114 HA PHE 16 HA PHE 16 3.620 -2.989 2.680 115 HB2 PHE 16 2HB PHE 16 2.973 -4.963 3.611 116 HB3 PHE 16 1HB PHE 16 4.269 -5.868 2.853 117 HD1 PHE 16 2HD PHE 16 3.652 -3.373 5.602 118 HD2 PHE 16 1HD PHE 16 6.059 -6.625 4.152 119 HE1 PHE 16 2HE PHE 16 4.924 -3.393 7.733 120 HE2 PHE 16 1HE PHE 16 7.329 -6.636 6.275 121 HZ PHE 16 HZ PHE 16 6.766 -5.019 8.053 122 H SER 17 H SER 17 6.748 -4.663 2.321 123 HA SER 17 HA SER 17 8.145 -3.307 4.312 124 HB2 SER 17 2HB SER 17 8.869 -5.343 2.931 125 HB3 SER 17 1HB SER 17 9.398 -4.181 1.711 126 HG SER 17 HG SER 17 11.142 -4.152 2.907 127 H LEU 18 H LEU 18 7.480 -2.379 0.979 128 HA LEU 18 HA LEU 18 9.290 -0.192 0.828 129 HB2 LEU 18 2HB LEU 18 6.695 -0.756 -0.596 130 HB3 LEU 18 1HB LEU 18 7.708 0.635 -0.972 131 HG LEU 18 HG LEU 18 8.662 -2.243 -1.044 132 HD11 LEU 18 1HD1 LEU 18 8.136 -0.488 -3.442 133 HD12 LEU 18 2HD1 LEU 18 6.885 -1.535 -2.779 134 HD13 LEU 18 3HD1 LEU 18 8.380 -2.233 -3.395 135 HD21 LEU 18 3HD2 LEU 18 10.425 -0.900 -2.588 136 HD22 LEU 18 1HD2 LEU 18 10.642 -1.075 -0.849 137 HD23 LEU 18 2HD2 LEU 18 9.968 0.415 -1.507 138 H PHE 19 H PHE 19 5.878 -0.339 1.801 139 HA PHE 19 HA PHE 19 5.720 2.486 2.279 140 HB2 PHE 19 2HB PHE 19 3.935 0.286 3.283 141 HB3 PHE 19 1HB PHE 19 3.553 2.003 3.255 142 HD1 PHE 19 1HD PHE 19 3.990 3.151 0.850 143 HD2 PHE 19 2HD PHE 19 3.128 -1.000 1.521 144 HE1 PHE 19 1HE PHE 19 3.197 2.936 -1.491 145 HE2 PHE 19 2HE PHE 19 2.345 -1.212 -0.793 146 HZ PHE 19 HZ PHE 19 2.373 0.747 -2.322 147 H ASP 20 H ASP 20 6.270 -0.337 4.373 148 HA ASP 20 HA ASP 20 6.127 1.091 6.818 149 HB2 ASP 20 2HB ASP 20 5.983 -1.383 6.624 150 HB3 ASP 20 1HB ASP 20 7.700 -1.424 6.223 151 H LYS 21 H LYS 21 7.455 2.947 5.666 152 HA LYS 21 HA LYS 21 10.221 2.788 5.347 153 HB2 LYS 21 2HB LYS 21 8.749 5.206 6.435 154 HB3 LYS 21 1HB LYS 21 10.283 5.202 5.584 155 HG2 LYS 21 2HG LYS 21 7.784 4.128 4.292 156 HG3 LYS 21 1HG LYS 21 8.149 5.839 4.246 157 HD2 LYS 21 2HD LYS 21 10.255 3.861 3.406 158 HD3 LYS 21 1HD LYS 21 8.958 4.256 2.292 159 HE2 LYS 21 2HE LYS 21 9.521 6.646 2.463 160 HE3 LYS 21 1HE LYS 21 10.811 6.269 3.602 161 HZ1 LYS 21 3HZ LYS 21 10.804 6.088 0.759 162 HZ2 LYS 21 1HZ LYS 21 11.259 4.616 1.471 163 HZ3 LYS 21 2HZ LYS 21 12.113 6.039 1.841 164 H ASP 22 H ASP 22 8.352 3.607 8.273 165 HA ASP 22 HA ASP 22 10.523 4.077 9.970 166 HB2 ASP 22 2HB ASP 22 7.973 2.718 10.852 167 HB3 ASP 22 1HB ASP 22 8.959 3.880 11.739 168 H GLY 23 H GLY 23 9.399 1.184 8.506 169 HA2 GLY 23 2HA GLY 23 10.030 -1.014 8.680 170 HA3 GLY 23 1HA GLY 23 11.551 -0.386 9.297 171 H ASP 24 H ASP 24 8.388 0.002 10.851 172 HA ASP 24 HA ASP 24 9.460 -1.416 13.209 173 HB2 ASP 24 2HB ASP 24 7.437 -0.376 14.342 174 HB3 ASP 24 1HB ASP 24 8.694 0.730 13.801 175 H GLY 25 H GLY 25 7.385 -1.939 10.598 176 HA2 GLY 25 2HA GLY 25 6.565 -4.192 10.237 177 HA3 GLY 25 1HA GLY 25 6.211 -4.305 11.955 178 H THR 26 H THR 26 5.437 -1.257 10.804 179 HA THR 26 HA THR 26 2.699 -1.960 9.989 180 HB THR 26 HB THR 26 2.106 0.073 11.652 181 HG1 THR 26 1HG THR 26 3.878 0.472 12.708 182 HG21 THR 26 3HG2 THR 26 0.867 -1.909 11.862 183 HG22 THR 26 1HG2 THR 26 1.671 -1.760 13.428 184 HG23 THR 26 2HG2 THR 26 2.307 -2.876 12.215 185 H ILE 27 H ILE 27 1.634 -0.311 8.834 186 HA ILE 27 HA ILE 27 3.445 1.795 7.799 187 HB ILE 27 HB ILE 27 0.940 0.639 6.564 188 HG12 ILE 27 2HG1 ILE 27 3.777 0.281 5.609 189 HG13 ILE 27 1HG1 ILE 27 3.019 -0.864 6.714 190 HG21 ILE 27 1HG2 ILE 27 1.640 1.903 4.596 191 HG22 ILE 27 2HG2 ILE 27 3.029 2.532 5.476 192 HG23 ILE 27 3HG2 ILE 27 1.393 2.994 5.954 193 HD11 ILE 27 3HD1 ILE 27 1.756 -0.064 4.068 194 HD12 ILE 27 1HD1 ILE 27 1.291 -1.395 5.132 195 HD13 ILE 27 2HD1 ILE 27 2.811 -1.470 4.248 196 H THR 28 H THR 28 2.948 3.837 8.279 197 HA THR 28 HA THR 28 0.292 4.431 9.471 198 HB THR 28 HB THR 28 2.372 4.574 10.965 199 HG1 THR 28 1HG THR 28 1.596 6.687 11.739 200 HG21 THR 28 3HG2 THR 28 3.808 6.463 10.745 201 HG22 THR 28 1HG2 THR 28 2.777 7.179 9.515 202 HG23 THR 28 2HG2 THR 28 3.716 5.750 9.140 203 H THR 29 H THR 29 -0.181 6.858 9.345 204 HA THR 29 HA THR 29 -0.675 7.581 6.704 205 HB THR 29 HB THR 29 -1.368 9.710 7.558 206 HG1 THR 29 1HG THR 29 -0.303 9.266 10.081 207 HG21 THR 29 3HG2 THR 29 -1.748 7.583 9.688 208 HG22 THR 29 1HG2 THR 29 -2.755 7.802 8.260 209 HG23 THR 29 2HG2 THR 29 -2.726 9.034 9.522 210 H LYS 30 H LYS 30 1.944 8.549 8.863 211 HA LYS 30 HA LYS 30 3.156 10.429 7.111 212 HB2 LYS 30 2HB LYS 30 4.299 8.874 9.443 213 HB3 LYS 30 1HB LYS 30 5.120 10.200 8.626 214 HG2 LYS 30 2HG LYS 30 3.279 11.723 9.190 215 HG3 LYS 30 1HG LYS 30 2.407 10.401 9.969 216 HD2 LYS 30 2HD LYS 30 4.224 10.137 11.600 217 HD3 LYS 30 1HD LYS 30 5.133 11.427 10.814 218 HE2 LYS 30 2HE LYS 30 4.053 12.496 12.632 219 HE3 LYS 30 1HE LYS 30 3.054 12.899 11.237 220 HZ1 LYS 30 3HZ LYS 30 2.346 10.425 12.538 221 HZ2 LYS 30 1HZ LYS 30 1.355 11.695 12.010 222 HZ3 LYS 30 2HZ LYS 30 2.141 11.802 13.512 223 H GLU 31 H GLU 31 3.727 6.975 7.727 224 HA GLU 31 HA GLU 31 6.018 6.645 6.138 225 HB2 GLU 31 2HB GLU 31 3.804 4.830 7.044 226 HB3 GLU 31 1HB GLU 31 4.944 4.241 5.865 227 HG2 GLU 31 2HG GLU 31 6.777 4.470 7.322 228 HG3 GLU 31 1HG GLU 31 5.900 5.533 8.413 229 H LEU 32 H LEU 32 2.684 5.747 5.231 230 HA LEU 32 HA LEU 32 3.236 5.488 2.482 231 HB2 LEU 32 2HB LEU 32 1.322 4.442 3.418 232 HB3 LEU 32 1HB LEU 32 0.665 5.959 4.007 233 HG LEU 32 HG LEU 32 0.463 6.682 1.580 234 HD11 LEU 32 1HD1 LEU 32 2.061 5.242 0.519 235 HD12 LEU 32 2HD1 LEU 32 0.471 4.742 -0.053 236 HD13 LEU 32 3HD1 LEU 32 1.292 3.799 1.191 237 HD21 LEU 32 3HD2 LEU 32 -1.506 5.908 2.687 238 HD22 LEU 32 1HD2 LEU 32 -0.996 4.224 2.553 239 HD23 LEU 32 2HD2 LEU 32 -1.457 5.124 1.110 240 H GLY 33 H GLY 33 1.733 8.146 4.318 241 HA2 GLY 33 2HA GLY 33 1.132 9.906 2.298 242 HA3 GLY 33 1HA GLY 33 1.698 10.420 3.886 243 H THR 34 H THR 34 4.274 9.470 3.910 244 HA THR 34 HA THR 34 5.675 11.458 2.510 245 HB THR 34 HB THR 34 6.690 8.837 3.644 246 HG1 THR 34 1HG THR 34 6.303 9.831 5.433 247 HG21 THR 34 3HG2 THR 34 8.347 9.691 2.130 248 HG22 THR 34 1HG2 THR 34 8.866 10.136 3.755 249 HG23 THR 34 2HG2 THR 34 8.114 11.341 2.709 250 H VAL 35 H VAL 35 5.342 7.929 1.808 251 HA VAL 35 HA VAL 35 6.847 7.927 -0.542 252 HB VAL 35 HB VAL 35 4.480 6.186 0.230 253 HG11 VAL 35 1HG1 VAL 35 6.673 5.943 -1.840 254 HG12 VAL 35 2HG1 VAL 35 4.932 5.777 -2.065 255 HG13 VAL 35 3HG1 VAL 35 5.838 4.519 -1.219 256 HG21 VAL 35 3HG2 VAL 35 6.017 4.756 1.330 257 HG22 VAL 35 1HG2 VAL 35 6.472 6.374 1.860 258 HG23 VAL 35 2HG2 VAL 35 7.415 5.561 0.614 259 H MET 36 H MET 36 3.421 8.568 0.054 260 HA MET 36 HA MET 36 2.624 8.645 -2.690 261 HB2 MET 36 2HB MET 36 1.381 9.898 -0.236 262 HB3 MET 36 1HB MET 36 0.619 9.842 -1.827 263 HG2 MET 36 2HG MET 36 1.580 7.384 -0.345 264 HG3 MET 36 1HG MET 36 -0.081 7.969 -0.286 265 HE1 MET 36 3HE MET 36 -1.660 7.313 -3.509 266 HE2 MET 36 1HE MET 36 -1.504 8.381 -2.108 267 HE3 MET 36 2HE MET 36 -1.818 6.660 -1.878 268 H ARG 37 H ARG 37 3.732 11.135 -0.435 269 HA ARG 37 HA ARG 37 3.373 13.297 -2.311 270 HB2 ARG 37 2HB ARG 37 3.280 13.668 0.108 271 HB3 ARG 37 1HB ARG 37 4.991 13.248 0.227 272 HG2 ARG 37 2HG ARG 37 5.618 15.105 -1.180 273 HG3 ARG 37 1HG ARG 37 3.933 15.444 -1.573 274 HD2 ARG 37 2HD ARG 37 3.470 16.041 0.716 275 HD3 ARG 37 1HD ARG 37 5.093 15.573 1.203 276 HE ARG 37 HE ARG 37 5.423 17.475 -0.789 277 HH11 ARG 37 1HH2 ARG 37 3.912 17.287 2.331 278 HH12 ARG 37 2HH2 ARG 37 4.158 18.963 2.694 279 HH21 ARG 37 1HH1 ARG 37 5.736 19.662 -0.317 280 HH22 ARG 37 2HH1 ARG 37 5.193 20.308 1.196 281 H SER 38 H SER 38 6.214 11.571 -1.036 282 HA SER 38 HA SER 38 8.233 12.869 -2.387 283 HB2 SER 38 2HB SER 38 7.981 9.925 -1.745 284 HB3 SER 38 1HB SER 38 9.465 10.681 -2.313 285 HG SER 38 HG SER 38 8.480 10.595 0.153 286 H LEU 39 H LEU 39 5.737 10.887 -3.711 287 HA LEU 39 HA LEU 39 7.159 10.281 -6.163 288 HB2 LEU 39 2HB LEU 39 4.347 9.847 -5.178 289 HB3 LEU 39 1HB LEU 39 4.810 9.481 -6.837 290 HG LEU 39 HG LEU 39 6.360 8.404 -4.468 291 HD11 LEU 39 1HD1 LEU 39 3.966 7.185 -5.876 292 HD12 LEU 39 2HD1 LEU 39 4.084 7.622 -4.174 293 HD13 LEU 39 3HD1 LEU 39 5.045 6.288 -4.808 294 HD21 LEU 39 3HD2 LEU 39 6.207 7.776 -7.426 295 HD22 LEU 39 1HD2 LEU 39 6.768 6.558 -6.283 296 HD23 LEU 39 2HD2 LEU 39 7.633 8.081 -6.437 297 H GLY 40 H GLY 40 5.567 12.967 -4.945 298 HA2 GLY 40 2HA GLY 40 5.355 15.050 -5.976 299 HA3 GLY 40 1HA GLY 40 5.659 14.288 -7.531 300 H GLN 41 H GLN 41 3.194 13.136 -5.286 301 HA GLN 41 HA GLN 41 1.140 13.704 -7.315 302 HB2 GLN 41 2HB GLN 41 1.290 11.419 -6.396 303 HB3 GLN 41 1HB GLN 41 0.973 12.053 -4.781 304 HG2 GLN 41 2HG GLN 41 -1.213 12.909 -5.534 305 HG3 GLN 41 1HG GLN 41 -0.891 12.317 -7.162 306 HE21 GLN 41 1HE2 GLN 41 -3.170 11.375 -5.795 307 HE22 GLN 41 2HE2 GLN 41 -2.939 9.745 -5.373 308 H ASN 42 H ASN 42 -0.496 15.093 -7.048 309 HA ASN 42 HA ASN 42 -0.345 17.298 -5.468 310 HB2 ASN 42 2HB ASN 42 -2.972 17.312 -5.778 311 HB3 ASN 42 1HB ASN 42 -1.912 17.478 -7.175 312 HD21 ASN 42 1HD2 ASN 42 -2.998 16.337 -8.797 313 HD22 ASN 42 2HD2 ASN 42 -3.524 14.731 -8.646 314 HA PRO 43 HA PRO 43 -1.358 16.455 -1.235 315 HB2 PRO 43 2HB PRO 43 -3.659 18.363 -1.521 316 HB3 PRO 43 1HB PRO 43 -2.373 18.328 -0.300 317 HG2 PRO 43 2HG PRO 43 -2.378 20.099 -2.324 318 HG3 PRO 43 1HG PRO 43 -0.880 19.436 -1.647 319 HD2 PRO 43 2HD PRO 43 -2.158 18.865 -4.267 320 HD3 PRO 43 1HD PRO 43 -0.461 18.705 -3.771 321 H THR 44 H THR 44 -2.333 14.641 -0.558 322 HA THR 44 HA THR 44 -5.153 14.248 -0.700 323 HB THR 44 HB THR 44 -4.226 11.898 -2.074 324 HG1 THR 44 1HG THR 44 -3.741 13.437 -4.030 325 HG21 THR 44 3HG2 THR 44 -5.796 12.674 -3.821 326 HG22 THR 44 1HG2 THR 44 -5.882 14.250 -3.033 327 HG23 THR 44 2HG2 THR 44 -6.498 12.819 -2.209 328 H GLU 45 H GLU 45 -2.581 14.108 0.967 329 HA GLU 45 HA GLU 45 -2.393 11.419 1.923 330 HB2 GLU 45 2HB GLU 45 -1.040 12.392 3.729 331 HB3 GLU 45 1HB GLU 45 -0.546 13.029 2.161 332 HG2 GLU 45 2HG GLU 45 -1.895 15.051 2.540 333 HG3 GLU 45 1HG GLU 45 -2.416 14.423 4.102 334 H ALA 46 H ALA 46 -4.651 13.898 2.354 335 HA ALA 46 HA ALA 46 -5.505 13.289 5.030 336 HB1 ALA 46 1HB ALA 46 -6.755 14.810 2.743 337 HB2 ALA 46 2HB ALA 46 -6.053 15.456 4.225 338 HB3 ALA 46 3HB ALA 46 -7.581 14.576 4.283 339 H GLU 47 H GLU 47 -6.593 12.409 1.785 340 HA GLU 47 HA GLU 47 -8.879 10.946 2.419 341 HB2 GLU 47 2HB GLU 47 -8.136 11.568 0.117 342 HB3 GLU 47 1HB GLU 47 -6.864 10.356 0.232 343 HG2 GLU 47 2HG GLU 47 -8.719 9.386 -0.972 344 HG3 GLU 47 1HG GLU 47 -8.641 8.619 0.612 345 H LEU 48 H LEU 48 -5.489 9.899 2.195 346 HA LEU 48 HA LEU 48 -5.939 7.185 2.816 347 HB2 LEU 48 2HB LEU 48 -3.550 8.997 2.983 348 HB3 LEU 48 1HB LEU 48 -3.454 7.334 3.559 349 HG LEU 48 HG LEU 48 -2.718 7.612 1.178 350 HD11 LEU 48 1HD1 LEU 48 -3.971 5.504 2.209 351 HD12 LEU 48 2HD1 LEU 48 -3.619 5.589 0.485 352 HD13 LEU 48 3HD1 LEU 48 -5.232 5.962 1.061 353 HD21 LEU 48 3HD2 LEU 48 -5.640 8.088 0.551 354 HD22 LEU 48 1HD2 LEU 48 -4.254 8.246 -0.527 355 HD23 LEU 48 2HD2 LEU 48 -4.503 9.420 0.763 356 H GLN 49 H GLN 49 -5.010 9.933 4.850 357 HA GLN 49 HA GLN 49 -4.661 8.709 7.284 358 HB2 GLN 49 2HB GLN 49 -5.843 11.372 6.529 359 HB3 GLN 49 1HB GLN 49 -5.725 10.899 8.221 360 HG2 GLN 49 2HG GLN 49 -3.365 10.733 8.113 361 HG3 GLN 49 1HG GLN 49 -3.351 10.795 6.355 362 HE21 GLN 49 1HE2 GLN 49 -5.669 12.993 7.310 363 HE22 GLN 49 2HE2 GLN 49 -4.710 14.393 7.379 364 H ASP 50 H ASP 50 -7.740 9.773 5.879 365 HA ASP 50 HA ASP 50 -9.330 8.859 8.065 366 HB2 ASP 50 2HB ASP 50 -9.920 10.611 6.290 367 HB3 ASP 50 1HB ASP 50 -10.305 9.249 5.243 368 H MET 51 H MET 51 -8.294 7.415 5.000 369 HA MET 51 HA MET 51 -10.022 5.156 5.117 370 HB2 MET 51 2HB MET 51 -7.452 5.726 3.659 371 HB3 MET 51 1HB MET 51 -8.285 4.186 3.507 372 HG2 MET 51 2HG MET 51 -9.625 6.854 3.000 373 HG3 MET 51 1HG MET 51 -8.889 5.880 1.726 374 HE1 MET 51 3HE MET 51 -12.932 5.694 1.729 375 HE2 MET 51 1HE MET 51 -11.541 6.575 1.083 376 HE3 MET 51 2HE MET 51 -12.105 6.893 2.721 377 H ILE 52 H ILE 52 -6.662 5.695 6.159 378 HA ILE 52 HA ILE 52 -6.148 3.042 6.954 379 HB ILE 52 HB ILE 52 -4.958 5.662 7.909 380 HG12 ILE 52 2HG1 ILE 52 -4.133 3.548 5.889 381 HG13 ILE 52 1HG1 ILE 52 -4.529 5.233 5.569 382 HG21 ILE 52 1HG2 ILE 52 -3.973 2.819 8.373 383 HG22 ILE 52 2HG2 ILE 52 -4.658 3.859 9.621 384 HG23 ILE 52 3HG2 ILE 52 -3.137 4.290 8.867 385 HD11 ILE 52 3HD1 ILE 52 -2.054 4.067 6.790 386 HD12 ILE 52 1HD1 ILE 52 -2.545 5.696 7.265 387 HD13 ILE 52 2HD1 ILE 52 -2.209 5.337 5.572 388 H ASN 53 H ASN 53 -7.435 5.836 8.701 389 HA ASN 53 HA ASN 53 -7.626 4.605 11.238 390 HB2 ASN 53 2HB ASN 53 -7.798 7.100 10.599 391 HB3 ASN 53 1HB ASN 53 -9.495 6.761 10.268 392 HD21 ASN 53 1HD2 ASN 53 -10.363 7.923 12.080 393 HD22 ASN 53 2HD2 ASN 53 -10.077 7.458 13.687 394 H GLU 54 H GLU 54 -9.805 4.702 8.464 395 HA GLU 54 HA GLU 54 -12.049 3.577 9.842 396 HB2 GLU 54 2HB GLU 54 -12.252 4.957 7.784 397 HB3 GLU 54 1HB GLU 54 -11.497 3.654 6.866 398 HG2 GLU 54 2HG GLU 54 -13.314 2.126 7.510 399 HG3 GLU 54 1HG GLU 54 -14.057 3.400 8.472 400 H VAL 55 H VAL 55 -9.829 2.194 7.395 401 HA VAL 55 HA VAL 55 -10.862 -0.426 7.557 402 HB VAL 55 HB VAL 55 -8.911 -1.110 6.301 403 HG11 VAL 55 1HG1 VAL 55 -9.971 1.634 5.582 404 HG12 VAL 55 2HG1 VAL 55 -10.547 0.075 5.002 405 HG13 VAL 55 3HG1 VAL 55 -8.967 0.674 4.500 406 HG21 VAL 55 3HG2 VAL 55 -7.792 1.491 7.340 407 HG22 VAL 55 1HG2 VAL 55 -7.140 0.762 5.866 408 HG23 VAL 55 2HG2 VAL 55 -7.076 -0.116 7.398 409 H ASP 56 H ASP 56 -8.726 1.265 9.689 410 HA ASP 56 HA ASP 56 -7.164 -0.782 10.739 411 HB2 ASP 56 2HB ASP 56 -7.034 1.646 11.346 412 HB3 ASP 56 1HB ASP 56 -8.460 1.419 12.352 413 H ALA 57 H ALA 57 -7.483 -2.465 12.078 414 HA ALA 57 HA ALA 57 -10.111 -3.497 12.428 415 HB1 ALA 57 1HB ALA 57 -8.373 -5.076 12.169 416 HB2 ALA 57 2HB ALA 57 -8.883 -5.225 13.850 417 HB3 ALA 57 3HB ALA 57 -7.408 -4.344 13.450 418 H ASP 58 H ASP 58 -7.780 -2.090 14.752 419 HA ASP 58 HA ASP 58 -9.847 -2.205 16.859 420 HB2 ASP 58 2HB ASP 58 -7.546 -3.106 17.275 421 HB3 ASP 58 1HB ASP 58 -6.929 -1.462 17.112 422 H GLY 59 H GLY 59 -9.231 -0.125 14.499 423 HA2 GLY 59 2HA GLY 59 -9.621 2.140 14.206 424 HA3 GLY 59 1HA GLY 59 -10.420 2.107 15.774 425 H ASN 60 H ASN 60 -7.199 0.960 15.628 426 HA ASN 60 HA ASN 60 -6.262 3.185 17.280 427 HB2 ASN 60 2HB ASN 60 -5.878 0.807 17.929 428 HB3 ASN 60 1HB ASN 60 -4.869 0.614 16.499 429 HD21 ASN 60 1HD2 ASN 60 -5.144 2.673 19.450 430 HD22 ASN 60 2HD2 ASN 60 -3.469 2.899 19.619 431 H GLY 61 H GLY 61 -6.097 2.076 14.047 432 HA2 GLY 61 2HA GLY 61 -5.279 3.316 12.209 433 HA3 GLY 61 1HA GLY 61 -4.286 4.262 13.318 434 H THR 62 H THR 62 -3.388 2.962 10.880 435 HA THR 62 HA THR 62 -1.243 2.187 10.424 436 HB THR 62 HB THR 62 -0.028 0.749 11.910 437 HG1 THR 62 1HG THR 62 -1.368 -0.579 12.894 438 HG21 THR 62 3HG2 THR 62 0.548 2.667 12.990 439 HG22 THR 62 1HG2 THR 62 -0.790 2.392 14.101 440 HG23 THR 62 2HG2 THR 62 -1.035 3.368 12.656 441 H ILE 63 H ILE 63 -0.758 0.521 9.061 442 HA ILE 63 HA ILE 63 -2.831 -1.594 8.820 443 HB ILE 63 HB ILE 63 -0.990 -0.600 6.651 444 HG12 ILE 63 2HG1 ILE 63 -2.414 1.252 7.288 445 HG13 ILE 63 1HG1 ILE 63 -3.046 0.563 5.796 446 HG21 ILE 63 1HG2 ILE 63 -2.617 -1.746 5.195 447 HG22 ILE 63 2HG2 ILE 63 -3.518 -2.264 6.622 448 HG23 ILE 63 3HG2 ILE 63 -1.885 -2.866 6.342 449 HD11 ILE 63 3HD1 ILE 63 -4.556 -0.869 7.367 450 HD12 ILE 63 1HD1 ILE 63 -4.966 0.826 7.118 451 HD13 ILE 63 2HD1 ILE 63 -4.140 0.327 8.589 452 H ASP 64 H ASP 64 -2.239 -3.673 8.886 453 HA ASP 64 HA ASP 64 0.609 -4.271 9.360 454 HB2 ASP 64 2HB ASP 64 -1.785 -6.060 9.806 455 HB3 ASP 64 1HB ASP 64 -0.147 -6.283 10.415 456 H PHE 65 H PHE 65 1.215 -6.555 8.620 457 HA PHE 65 HA PHE 65 1.440 -6.620 5.868 458 HB2 PHE 65 2HB PHE 65 1.566 -9.287 7.182 459 HB3 PHE 65 1HB PHE 65 2.764 -8.459 6.218 460 HD1 PHE 65 2HD PHE 65 3.622 -6.179 7.342 461 HD2 PHE 65 1HD PHE 65 2.099 -9.584 9.468 462 HE1 PHE 65 2HE PHE 65 4.863 -5.477 9.354 463 HE2 PHE 65 1HE PHE 65 3.341 -8.871 11.497 464 HZ PHE 65 HZ PHE 65 4.725 -6.814 11.440 465 HA PRO 66 HA PRO 66 -1.987 -10.056 5.662 466 HB2 PRO 66 2HB PRO 66 -3.849 -10.008 7.731 467 HB3 PRO 66 1HB PRO 66 -2.435 -11.076 7.680 468 HG2 PRO 66 2HG PRO 66 -2.814 -8.504 9.145 469 HG3 PRO 66 1HG PRO 66 -1.989 -9.987 9.660 470 HD2 PRO 66 2HD PRO 66 -0.641 -7.822 8.806 471 HD3 PRO 66 1HD PRO 66 -0.050 -9.461 8.546 472 H GLU 67 H GLU 67 -3.214 -7.247 7.473 473 HA GLU 67 HA GLU 67 -5.600 -6.908 6.056 474 HB2 GLU 67 2HB GLU 67 -3.887 -4.823 7.426 475 HB3 GLU 67 1HB GLU 67 -5.572 -4.610 6.949 476 HG2 GLU 67 2HG GLU 67 -4.610 -6.790 8.815 477 HG3 GLU 67 1HG GLU 67 -5.279 -5.254 9.360 478 H PHE 68 H PHE 68 -2.350 -5.662 5.471 479 HA PHE 68 HA PHE 68 -2.934 -3.857 3.413 480 HB2 PHE 68 2HB PHE 68 -0.752 -3.870 4.400 481 HB3 PHE 68 1HB PHE 68 -0.484 -5.545 3.914 482 HD1 PHE 68 2HD PHE 68 -0.366 -6.118 1.469 483 HD2 PHE 68 1HD PHE 68 -0.367 -2.064 2.879 484 HE1 PHE 68 2HE PHE 68 0.504 -5.368 -0.721 485 HE2 PHE 68 1HE PHE 68 0.507 -1.307 0.677 486 HZ PHE 68 HZ PHE 68 0.932 -2.970 -1.124 487 H LEU 69 H LEU 69 -2.073 -7.311 3.283 488 HA LEU 69 HA LEU 69 -2.189 -7.592 0.486 489 HB2 LEU 69 2HB LEU 69 -1.143 -9.280 1.792 490 HB3 LEU 69 1HB LEU 69 -2.593 -9.529 2.764 491 HG LEU 69 HG LEU 69 -2.988 -9.930 -0.173 492 HD11 LEU 69 1HD1 LEU 69 -1.236 -11.782 1.462 493 HD12 LEU 69 2HD1 LEU 69 -0.780 -10.908 0.001 494 HD13 LEU 69 3HD1 LEU 69 -1.961 -12.213 -0.088 495 HD21 LEU 69 3HD2 LEU 69 -3.649 -11.609 2.277 496 HD22 LEU 69 1HD2 LEU 69 -4.245 -11.903 0.644 497 HD23 LEU 69 2HD2 LEU 69 -4.736 -10.454 1.517 498 H THR 70 H THR 70 -4.695 -8.223 2.962 499 HA THR 70 HA THR 70 -6.701 -9.111 1.252 500 HB THR 70 HB THR 70 -7.097 -7.441 3.730 501 HG1 THR 70 1HG THR 70 -6.607 -10.213 3.417 502 HG21 THR 70 3HG2 THR 70 -9.193 -8.603 3.936 503 HG22 THR 70 1HG2 THR 70 -8.779 -9.698 2.618 504 HG23 THR 70 2HG2 THR 70 -9.108 -7.998 2.281 505 H MET 71 H MET 71 -6.134 -5.764 2.404 506 HA MET 71 HA MET 71 -8.285 -4.669 0.952 507 HB2 MET 71 2HB MET 71 -7.381 -2.511 1.480 508 HB3 MET 71 1HB MET 71 -7.142 -3.571 2.865 509 HG2 MET 71 2HG MET 71 -4.848 -3.903 2.317 510 HG3 MET 71 1HG MET 71 -4.993 -3.079 0.779 511 HE1 MET 71 3HE MET 71 -4.894 -1.327 4.984 512 HE2 MET 71 1HE MET 71 -4.878 -3.024 4.477 513 HE3 MET 71 2HE MET 71 -6.380 -2.101 4.458 514 H MET 72 H MET 72 -5.126 -5.653 -0.086 515 HA MET 72 HA MET 72 -5.229 -4.000 -2.495 516 HB2 MET 72 2HB MET 72 -3.005 -4.406 -2.665 517 HB3 MET 72 1HB MET 72 -3.150 -5.015 -1.024 518 HG2 MET 72 2HG MET 72 -2.052 -6.727 -2.172 519 HG3 MET 72 1HG MET 72 -3.699 -7.298 -2.140 520 HE1 MET 72 3HE MET 72 -1.786 -8.210 -5.520 521 HE2 MET 72 1HE MET 72 -1.743 -8.486 -3.774 522 HE3 MET 72 2HE MET 72 -0.761 -7.212 -4.491 523 H ALA 73 H ALA 73 -5.993 -7.223 -1.478 524 HA ALA 73 HA ALA 73 -6.209 -8.317 -4.151 525 HB1 ALA 73 1HB ALA 73 -7.058 -10.319 -2.972 526 HB2 ALA 73 2HB ALA 73 -7.048 -9.411 -1.458 527 HB3 ALA 73 3HB ALA 73 -5.531 -9.752 -2.295 528 H ARG 74 H ARG 74 -7.906 -5.982 -3.300 529 HA ARG 74 HA ARG 74 -10.600 -6.979 -3.147 530 HB2 ARG 74 2HB ARG 74 -9.475 -4.209 -3.620 531 HB3 ARG 74 1HB ARG 74 -11.193 -4.561 -3.427 532 HG2 ARG 74 2HG ARG 74 -10.794 -5.484 -1.199 533 HG3 ARG 74 1HG ARG 74 -9.058 -5.259 -1.389 534 HD2 ARG 74 2HD ARG 74 -9.952 -3.430 -0.069 535 HD3 ARG 74 1HD ARG 74 -9.436 -2.816 -1.636 536 HE ARG 74 HE ARG 74 -12.174 -3.513 -1.768 537 HH11 ARG 74 1HH2 ARG 74 -10.036 -1.216 -0.283 538 HH12 ARG 74 2HH2 ARG 74 -11.217 0.049 -0.228 539 HH21 ARG 74 1HH1 ARG 74 -13.723 -1.850 -1.692 540 HH22 ARG 74 2HH1 ARG 74 -13.299 -0.308 -1.024 541 H LYS 75 H LYS 75 -8.427 -6.958 -5.594 542 HA LYS 75 HA LYS 75 -10.248 -6.194 -7.754 543 HB2 LYS 75 2HB LYS 75 -7.682 -5.756 -7.658 544 HB3 LYS 75 1HB LYS 75 -7.532 -7.443 -8.141 545 HG2 LYS 75 2HG LYS 75 -8.858 -7.029 -10.151 546 HG3 LYS 75 1HG LYS 75 -9.165 -5.369 -9.643 547 HD2 LYS 75 2HD LYS 75 -6.763 -4.866 -9.770 548 HD3 LYS 75 1HD LYS 75 -6.428 -6.530 -10.250 549 HE2 LYS 75 2HE LYS 75 -7.807 -6.235 -12.272 550 HE3 LYS 75 1HE LYS 75 -8.164 -4.576 -11.792 551 HZ1 LYS 75 3HZ LYS 75 -6.211 -5.109 -13.417 552 HZ2 LYS 75 1HZ LYS 75 -5.361 -5.411 -11.979 553 HZ3 LYS 75 2HZ LYS 75 -6.058 -3.884 -12.249 554 H MET 76 H MET 76 -10.955 -8.454 -6.059 555 HA MET 76 HA MET 76 -11.654 -10.638 -6.181 556 HB2 MET 76 2HB MET 76 -11.965 -9.729 -9.048 557 HB3 MET 76 1HB MET 76 -12.603 -11.245 -8.424 558 HG2 MET 76 2HG MET 76 -13.931 -9.995 -6.751 559 HG3 MET 76 1HG MET 76 -13.312 -8.480 -7.403 560 HE1 MET 76 3HE MET 76 -13.405 -8.884 -10.695 561 HE2 MET 76 1HE MET 76 -13.605 -7.572 -9.526 562 HE3 MET 76 2HE MET 76 -14.875 -7.916 -10.695 563 H LYS 77 H LYS 77 -10.488 -10.716 -9.465 564 HA LYS 77 HA LYS 77 -8.891 -13.054 -8.950 565 HB2 LYS 77 2HB LYS 77 -8.415 -12.934 -11.379 566 HB3 LYS 77 1HB LYS 77 -10.142 -12.822 -11.040 567 HG2 LYS 77 2HG LYS 77 -10.012 -10.353 -11.210 568 HG3 LYS 77 1HG LYS 77 -8.294 -10.476 -11.586 569 HD2 LYS 77 2HD LYS 77 -8.823 -11.789 -13.610 570 HD3 LYS 77 1HD LYS 77 -10.542 -11.695 -13.225 571 HE2 LYS 77 2HE LYS 77 -9.960 -9.996 -14.902 572 HE3 LYS 77 1HE LYS 77 -10.432 -9.219 -13.391 573 HZ1 LYS 77 3HZ LYS 77 -7.866 -9.285 -14.718 574 HZ2 LYS 77 1HZ LYS 77 -7.798 -9.534 -13.042 575 HZ3 LYS 77 2HZ LYS 77 -8.517 -8.124 -13.662 576 H1 GLY 45 1HT GLY 45 -19.018 2.215 -5.382 577 H2 GLY 45 2HT GLY 45 -18.370 1.276 -4.123 578 H3 GLY 45 3HT GLY 45 -18.706 0.567 -5.629 579 HA2 GLY 45 2HA GLY 45 -16.393 0.866 -5.613 580 HA3 GLY 45 1HA GLY 45 -17.044 2.165 -6.614 581 H THR 46 H THR 46 -14.581 1.946 -4.837 582 HA THR 46 HA THR 46 -15.003 4.495 -3.389 583 HB THR 46 HB THR 46 -13.628 3.709 -1.538 584 HG1 THR 46 1HG THR 46 -13.100 1.732 -3.302 585 HG21 THR 46 3HG2 THR 46 -16.169 3.222 -1.696 586 HG22 THR 46 1HG2 THR 46 -15.235 2.357 -0.476 587 HG23 THR 46 2HG2 THR 46 -15.685 1.550 -1.979 588 H GLY 47 H GLY 47 -12.984 5.652 -2.966 589 HA2 GLY 47 2HA GLY 47 -11.194 5.486 -5.272 590 HA3 GLY 47 1HA GLY 47 -11.270 6.789 -4.089 591 H ALA 48 H ALA 48 -11.302 4.451 -2.044 592 HA ALA 48 HA ALA 48 -8.642 4.665 -1.191 593 HB1 ALA 48 1HB ALA 48 -10.386 2.326 -0.469 594 HB2 ALA 48 2HB ALA 48 -10.803 3.953 0.064 595 HB3 ALA 48 3HB ALA 48 -9.268 3.235 0.549 596 H ALA 49 H ALA 49 -10.248 2.004 -2.957 597 HA ALA 49 HA ALA 49 -8.049 0.236 -2.979 598 HB1 ALA 49 1HB ALA 49 -10.273 0.516 -5.015 599 HB2 ALA 49 2HB ALA 49 -10.357 -0.437 -3.534 600 HB3 ALA 49 3HB ALA 49 -9.230 -0.892 -4.811 601 H LEU 50 H LEU 50 -9.062 2.744 -5.266 602 HA LEU 50 HA LEU 50 -7.114 2.231 -7.243 603 HB2 LEU 50 2HB LEU 50 -9.097 3.609 -7.669 604 HB3 LEU 50 1HB LEU 50 -8.521 4.816 -6.523 605 HG LEU 50 HG LEU 50 -6.538 5.229 -7.933 606 HD11 LEU 50 1HD1 LEU 50 -6.032 3.227 -9.038 607 HD12 LEU 50 2HD1 LEU 50 -6.758 4.167 -10.340 608 HD13 LEU 50 3HD1 LEU 50 -7.709 2.937 -9.504 609 HD21 LEU 50 3HD2 LEU 50 -8.580 6.544 -8.346 610 HD22 LEU 50 1HD2 LEU 50 -9.157 5.312 -9.468 611 HD23 LEU 50 2HD2 LEU 50 -7.717 6.252 -9.857 612 H SER 51 H SER 51 -7.145 4.320 -4.400 613 HA SER 51 HA SER 51 -4.738 5.692 -4.813 614 HB2 SER 51 2HB SER 51 -6.050 4.811 -2.231 615 HB3 SER 51 1HB SER 51 -4.770 6.017 -2.352 616 HG SER 51 HG SER 51 -7.146 6.208 -3.865 617 H TRP 52 H TRP 52 -5.407 2.634 -3.154 618 HA TRP 52 HA TRP 52 -2.751 2.114 -2.337 619 HB2 TRP 52 2HB TRP 52 -5.227 0.448 -2.713 620 HB3 TRP 52 1HB TRP 52 -3.696 -0.339 -2.337 621 HD1 TRP 52 HD TRP 52 -6.604 0.958 -0.653 622 HE1 TRP 52 1HE TRP 52 -6.117 1.539 1.810 623 HE3 TRP 52 3HE TRP 52 -1.494 0.982 -0.740 624 HZ2 TRP 52 2HZ TRP 52 -3.868 1.953 3.529 625 HZ3 TRP 52 3HZ TRP 52 -0.204 1.471 1.314 626 HH2 TRP 52 HH TRP 52 -1.365 1.964 3.443 627 H GLN 53 H GLN 53 -4.599 1.099 -5.201 628 HA GLN 53 HA GLN 53 -2.569 -0.503 -6.343 629 HB2 GLN 53 2HB GLN 53 -4.914 0.951 -7.582 630 HB3 GLN 53 1HB GLN 53 -3.881 -0.169 -8.469 631 HG2 GLN 53 2HG GLN 53 -5.368 -0.891 -5.931 632 HG3 GLN 53 1HG GLN 53 -5.968 -1.230 -7.553 633 HE21 GLN 53 1HE2 GLN 53 -4.660 -2.883 -5.119 634 HE22 GLN 53 2HE2 GLN 53 -3.642 -3.955 -5.954 635 H ALA 54 H ALA 54 -3.348 2.944 -6.717 636 HA ALA 54 HA ALA 54 -1.515 3.472 -8.811 637 HB1 ALA 54 1HB ALA 54 -3.433 4.946 -7.967 638 HB2 ALA 54 2HB ALA 54 -1.930 5.763 -8.397 639 HB3 ALA 54 3HB ALA 54 -2.322 5.471 -6.702 640 H ALA 55 H ALA 55 -1.180 3.546 -5.283 641 HA ALA 55 HA ALA 55 1.407 4.705 -5.208 642 HB1 ALA 55 1HB ALA 55 1.452 4.048 -2.914 643 HB2 ALA 55 2HB ALA 55 0.279 2.762 -3.192 644 HB3 ALA 55 3HB ALA 55 -0.226 4.448 -3.279 645 H ILE 56 H ILE 56 0.288 1.348 -5.336 646 HA ILE 56 HA ILE 56 2.814 0.108 -5.042 647 HB ILE 56 HB ILE 56 0.249 -0.822 -6.354 648 HG12 ILE 56 2HG1 ILE 56 1.509 -1.642 -3.724 649 HG13 ILE 56 1HG1 ILE 56 0.338 -0.329 -3.851 650 HG21 ILE 56 1HG2 ILE 56 1.339 -3.126 -5.977 651 HG22 ILE 56 2HG2 ILE 56 2.864 -2.250 -5.843 652 HG23 ILE 56 3HG2 ILE 56 1.933 -2.177 -7.339 653 HD11 ILE 56 3HD1 ILE 56 -0.109 -3.226 -4.628 654 HD12 ILE 56 1HD1 ILE 56 -1.266 -1.927 -4.919 655 HD13 ILE 56 2HD1 ILE 56 -0.843 -2.379 -3.267 656 H ASP 57 H ASP 57 0.960 1.106 -7.897 657 HA ASP 57 HA ASP 57 2.678 0.070 -9.868 658 HB2 ASP 57 2HB ASP 57 0.762 2.403 -9.854 659 HB3 ASP 57 1HB ASP 57 1.620 1.885 -11.304 660 H ALA 58 H ALA 58 2.564 3.300 -8.366 661 HA ALA 58 HA ALA 58 4.780 4.333 -9.824 662 HB1 ALA 58 1HB ALA 58 3.059 5.742 -8.709 663 HB2 ALA 58 2HB ALA 58 4.704 6.181 -8.250 664 HB3 ALA 58 3HB ALA 58 3.701 5.238 -7.146 665 H ALA 59 H ALA 59 4.449 2.703 -6.702 666 HA ALA 59 HA ALA 59 7.104 3.103 -5.798 667 HB1 ALA 59 1HB ALA 59 5.204 0.821 -5.188 668 HB2 ALA 59 2HB ALA 59 5.257 2.360 -4.330 669 HB3 ALA 59 3HB ALA 59 6.631 1.258 -4.249 670 H ARG 60 H ARG 60 5.575 0.579 -7.737 671 HA ARG 60 HA ARG 60 7.805 -1.152 -7.911 672 HB2 ARG 60 2HB ARG 60 5.373 -0.732 -9.646 673 HB3 ARG 60 1HB ARG 60 6.568 -1.986 -9.974 674 HG2 ARG 60 2HG ARG 60 5.430 -1.790 -7.188 675 HG3 ARG 60 1HG ARG 60 4.433 -2.502 -8.455 676 HD2 ARG 60 2HD ARG 60 7.257 -3.396 -7.794 677 HD3 ARG 60 1HD ARG 60 5.788 -4.211 -7.257 678 HE ARG 60 HE ARG 60 5.392 -4.121 -9.900 679 HH11 ARG 60 1HH2 ARG 60 8.237 -4.915 -8.067 680 HH12 ARG 60 2HH2 ARG 60 8.791 -6.094 -9.207 681 HH21 ARG 60 1HH1 ARG 60 6.122 -5.647 -11.379 682 HH22 ARG 60 2HH1 ARG 60 7.595 -6.508 -11.083 683 H GLN 61 H GLN 61 6.688 1.533 -9.931 684 HA GLN 61 HA GLN 61 8.594 1.203 -11.997 685 HB2 GLN 61 2HB GLN 61 6.609 2.605 -12.281 686 HB3 GLN 61 1HB GLN 61 7.185 3.707 -11.031 687 HG2 GLN 61 2HG GLN 61 8.919 3.101 -13.426 688 HG3 GLN 61 1HG GLN 61 7.629 4.293 -13.548 689 HE21 GLN 61 1HE2 GLN 61 7.679 5.990 -11.638 690 HE22 GLN 61 2HE2 GLN 61 9.219 6.552 -11.197 691 H ALA 62 H ALA 62 8.592 3.136 -9.023 692 HA ALA 62 HA ALA 62 11.114 4.364 -9.428 693 HB1 ALA 62 1HB ALA 62 9.561 3.781 -6.895 694 HB2 ALA 62 2HB ALA 62 9.549 5.280 -7.824 695 HB3 ALA 62 3HB ALA 62 11.007 4.788 -6.963 696 H LYS 63 H LYS 63 10.113 1.389 -7.784 697 HA LYS 63 HA LYS 63 12.647 0.710 -6.717 698 HB2 LYS 63 2HB LYS 63 10.499 -0.305 -5.981 699 HB3 LYS 63 1HB LYS 63 10.398 -1.143 -7.531 700 HG2 LYS 63 2HG LYS 63 12.460 -2.345 -7.074 701 HG3 LYS 63 1HG LYS 63 12.715 -1.414 -5.600 702 HD2 LYS 63 2HD LYS 63 11.780 -3.509 -4.907 703 HD3 LYS 63 1HD LYS 63 10.489 -2.319 -4.771 704 HE2 LYS 63 2HE LYS 63 9.417 -3.092 -6.742 705 HE3 LYS 63 1HE LYS 63 10.841 -3.990 -7.267 706 HZ1 LYS 63 3HZ LYS 63 10.490 -5.623 -5.704 707 HZ2 LYS 63 1HZ LYS 63 8.906 -5.243 -6.172 708 HZ3 LYS 63 2HZ LYS 63 9.528 -4.632 -4.713 709 H LEU 64 H LEU 64 11.013 -0.192 -9.744 710 HA LEU 64 HA LEU 64 13.001 -1.941 -10.700 711 HB2 LEU 64 2HB LEU 64 10.775 -1.905 -11.675 712 HB3 LEU 64 1HB LEU 64 10.991 -0.237 -12.200 713 HG LEU 64 HG LEU 64 12.808 -0.923 -13.713 714 HD11 LEU 64 1HD1 LEU 64 12.375 -3.578 -12.352 715 HD12 LEU 64 2HD1 LEU 64 13.887 -2.743 -12.709 716 HD13 LEU 64 3HD1 LEU 64 12.992 -3.534 -14.004 717 HD21 LEU 64 3HD2 LEU 64 11.468 -2.287 -15.282 718 HD22 LEU 64 1HD2 LEU 64 10.505 -0.992 -14.569 719 HD23 LEU 64 2HD2 LEU 64 10.327 -2.649 -13.987 720 H MET 65 H MET 65 12.507 1.548 -11.234 721 HA MET 65 HA MET 65 14.710 1.856 -12.997 722 HB2 MET 65 2HB MET 65 12.832 3.467 -12.843 723 HB3 MET 65 1HB MET 65 13.392 3.940 -11.241 724 HG2 MET 65 2HG MET 65 14.242 5.537 -12.865 725 HG3 MET 65 1HG MET 65 15.597 4.588 -12.265 726 HE1 MET 65 3HE MET 65 14.385 6.146 -15.418 727 HE2 MET 65 1HE MET 65 15.893 5.581 -16.152 728 HE3 MET 65 2HE MET 65 15.901 6.266 -14.529 729 H GLY 66 H GLY 66 14.363 2.138 -9.490 730 HA2 GLY 66 2HA GLY 66 16.061 1.786 -7.909 731 HA3 GLY 66 1HA GLY 66 17.262 1.916 -9.187 732 H SER 67 H SER 67 15.076 4.456 -9.461 733 HA SER 67 HA SER 67 17.041 6.371 -8.569 734 HB2 SER 67 2HB SER 67 15.504 8.048 -9.380 735 HB3 SER 67 1HB SER 67 15.557 6.734 -10.553 736 HG SER 67 HG SER 67 13.413 7.383 -10.053 737 H ALA 68 H ALA 68 16.562 8.097 -7.039 738 HA ALA 68 HA ALA 68 15.566 7.081 -4.557 739 HB1 ALA 68 1HB ALA 68 17.400 8.659 -4.560 740 HB2 ALA 68 2HB ALA 68 16.025 9.407 -3.750 741 HB3 ALA 68 3HB ALA 68 16.422 9.855 -5.408
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