NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10527 | 1pus | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -24.456 -6.997 -4.805 2 2H MET 1 HT2 MET 1 -24.425 -6.718 -3.112 3 3H MET 1 HT3 MET 1 -25.178 -8.128 -3.738 4 HA MET 1 HA MET 1 -22.941 -8.411 -2.730 5 1HB MET 1 HB2 MET 1 -24.274 -9.739 -4.648 6 2HB MET 1 HB1 MET 1 -22.846 -9.286 -5.569 7 1HG MET 1 HG2 MET 1 -21.499 -10.688 -4.436 8 2HG MET 1 HG1 MET 1 -22.348 -10.447 -2.910 9 1HE MET 1 HE1 MET 1 -22.366 -13.964 -5.479 10 2HE MET 1 HE2 MET 1 -21.395 -12.494 -5.564 11 3HE MET 1 HE3 MET 1 -22.887 -12.619 -6.495 12 H LYS 2 HN LYS 2 -22.548 -5.779 -3.151 13 HA LYS 2 HA LYS 2 -20.734 -5.233 -5.291 14 1HB LYS 2 HB2 LYS 2 -22.243 -3.588 -3.974 15 2HB LYS 2 HB1 LYS 2 -20.943 -3.580 -2.790 16 1HG LYS 2 HG2 LYS 2 -19.408 -2.968 -4.732 17 2HG LYS 2 HG1 LYS 2 -20.888 -2.630 -5.633 18 1HD LYS 2 HD2 LYS 2 -20.169 -1.385 -2.980 19 2HD LYS 2 HD1 LYS 2 -19.908 -0.623 -4.551 20 1HE LYS 2 HE2 LYS 2 -22.095 -0.131 -4.823 21 2HE LYS 2 HE1 LYS 2 -22.633 -1.625 -4.058 22 1HZ LYS 2 HZ1 LYS 2 -23.209 0.375 -2.778 23 2HZ LYS 2 HZ2 LYS 2 -21.566 0.728 -2.595 24 3HZ LYS 2 HZ3 LYS 2 -22.210 -0.677 -1.908 25 H LYS 3 HN LYS 3 -18.638 -5.673 -5.391 26 HA LYS 3 HA LYS 3 -17.119 -5.958 -2.893 27 1HB LYS 3 HB2 LYS 3 -15.961 -7.912 -3.766 28 2HB LYS 3 HB1 LYS 3 -17.694 -8.207 -3.716 29 1HG LYS 3 HG2 LYS 3 -17.571 -7.377 -6.209 30 2HG LYS 3 HG1 LYS 3 -15.888 -7.884 -6.052 31 1HD LYS 3 HD2 LYS 3 -16.680 -9.905 -6.643 32 2HD LYS 3 HD1 LYS 3 -17.182 -10.005 -4.954 33 1HE LYS 3 HE2 LYS 3 -19.176 -10.485 -5.931 34 2HE LYS 3 HE1 LYS 3 -19.303 -8.726 -5.918 35 1HZ LYS 3 HZ1 LYS 3 -19.717 -10.135 -8.088 36 2HZ LYS 3 HZ2 LYS 3 -18.040 -9.975 -8.239 37 3HZ LYS 3 HZ3 LYS 3 -19.016 -8.596 -8.151 38 H LEU 4 HN LEU 4 -15.001 -5.270 -2.960 39 HA LEU 4 HA LEU 4 -13.885 -4.378 -5.500 40 1HB LEU 4 HB2 LEU 4 -13.292 -2.161 -4.476 41 2HB LEU 4 HB1 LEU 4 -14.990 -2.390 -4.850 42 HG LEU 4 HG LEU 4 -15.102 -3.148 -2.318 43 1HD1 LEU 4 1HD1 LEU 4 -13.374 -2.644 -1.011 44 2HD1 LEU 4 2HD1 LEU 4 -13.201 -1.042 -1.726 45 3HD1 LEU 4 3HD1 LEU 4 -12.435 -2.436 -2.490 46 1HD2 LEU 4 1HD2 LEU 4 -15.734 -0.875 -1.733 47 2HD2 LEU 4 2HD2 LEU 4 -16.332 -1.288 -3.340 48 3HD2 LEU 4 3HD2 LEU 4 -14.910 -0.259 -3.166 49 H GLN 5 HN GLN 5 -11.798 -4.848 -5.613 50 HA GLN 5 HA GLN 5 -10.404 -5.633 -3.165 51 1HB GLN 5 HB2 GLN 5 -9.633 -6.184 -6.026 52 2HB GLN 5 HB1 GLN 5 -8.893 -6.875 -4.586 53 1HG GLN 5 HG2 GLN 5 -11.241 -7.769 -4.071 54 2HG GLN 5 HG1 GLN 5 -11.589 -7.402 -5.753 55 1HE2 GLN 5 1HE2 GLN 5 -11.732 -9.972 -4.735 56 2HE2 GLN 5 2HE2 GLN 5 -10.485 -10.932 -5.447 57 H ILE 6 HN ILE 6 -8.242 -5.067 -2.816 58 HA ILE 6 HA ILE 6 -7.076 -2.910 -4.375 59 HB ILE 6 HB ILE 6 -7.765 -2.657 -1.446 60 1HG1 ILE 6 2HG1 ILE 6 -9.496 -1.931 -3.022 61 2HG1 ILE 6 1HG1 ILE 6 -8.810 -0.554 -2.167 62 1HG2 ILE 6 1HG2 ILE 6 -5.849 -0.999 -3.076 63 2HG2 ILE 6 2HG2 ILE 6 -5.468 -1.989 -1.668 64 3HG2 ILE 6 3HG2 ILE 6 -6.466 -0.546 -1.487 65 1HD1 ILE 6 1HD1 ILE 6 -9.113 0.023 -4.465 66 2HD1 ILE 6 2HD1 ILE 6 -8.219 -1.404 -4.988 67 3HD1 ILE 6 3HD1 ILE 6 -7.385 -0.104 -4.137 68 H ALA 7 HN ALA 7 -4.892 -3.134 -4.497 69 HA ALA 7 HA ALA 7 -3.620 -4.976 -2.568 70 1HB ALA 7 HB1 ALA 7 -3.655 -5.050 -5.507 71 2HB ALA 7 HB2 ALA 7 -3.393 -6.346 -4.343 72 3HB ALA 7 HB3 ALA 7 -2.067 -5.267 -4.776 73 H VAL 8 HN VAL 8 -1.986 -4.074 -1.478 74 HA VAL 8 HA VAL 8 -0.674 -1.733 -2.687 75 HB VAL 8 HB VAL 8 -0.912 -0.489 -0.847 76 1HG1 VAL 8 1HG1 VAL 8 -3.186 -1.258 -1.118 77 2HG1 VAL 8 2HG1 VAL 8 -2.831 -1.037 0.595 78 3HG1 VAL 8 3HG1 VAL 8 -2.864 -2.659 -0.095 79 1HG2 VAL 8 1HG2 VAL 8 -0.653 -1.386 1.481 80 2HG2 VAL 8 2HG2 VAL 8 0.747 -1.623 0.434 81 3HG2 VAL 8 3HG2 VAL 8 -0.345 -2.967 0.766 82 H GLY 9 HN GLY 9 1.485 -1.268 -1.884 83 1HA GLY 9 HA2 GLY 9 2.965 -3.509 -0.766 84 2HA GLY 9 HA1 GLY 9 3.388 -3.036 -2.401 85 H ILE 10 HN ILE 10 4.070 -2.551 0.815 86 HA ILE 10 HA ILE 10 4.777 0.219 0.759 87 HB ILE 10 HB ILE 10 6.404 -1.111 2.686 88 1HG1 ILE 10 2HG1 ILE 10 3.525 -2.049 2.710 89 2HG1 ILE 10 1HG1 ILE 10 4.949 -3.063 2.497 90 1HG2 ILE 10 1HG2 ILE 10 4.920 1.138 2.527 91 2HG2 ILE 10 2HG2 ILE 10 5.589 0.494 4.027 92 3HG2 ILE 10 3HG2 ILE 10 3.913 0.156 3.592 93 1HD1 ILE 10 1HD1 ILE 10 5.498 -1.837 4.859 94 2HD1 ILE 10 2HD1 ILE 10 4.751 -3.425 4.686 95 3HD1 ILE 10 3HD1 ILE 10 3.744 -1.999 4.931 96 H ILE 11 HN ILE 11 6.255 0.929 -0.634 97 HA ILE 11 HA ILE 11 8.342 -0.700 -1.667 98 HB ILE 11 HB ILE 11 8.474 2.275 -1.862 99 1HG1 ILE 11 2HG1 ILE 11 6.396 0.481 -3.105 100 2HG1 ILE 11 1HG1 ILE 11 6.167 2.024 -2.288 101 1HG2 ILE 11 1HG2 ILE 11 9.713 1.882 -3.714 102 2HG2 ILE 11 2HG2 ILE 11 8.767 0.469 -4.181 103 3HG2 ILE 11 3HG2 ILE 11 9.989 0.332 -2.917 104 1HD1 ILE 11 1HD1 ILE 11 7.199 3.179 -4.158 105 2HD1 ILE 11 2HD1 ILE 11 5.830 2.205 -4.694 106 3HD1 ILE 11 3HD1 ILE 11 7.478 1.637 -4.966 107 H ARG 12 HN ARG 12 10.257 -1.128 -0.863 108 HA ARG 12 HA ARG 12 11.169 0.229 1.527 109 1HB ARG 12 HB2 ARG 12 11.635 -2.340 0.256 110 2HB ARG 12 HB1 ARG 12 13.132 -1.595 0.794 111 1HG ARG 12 HG2 ARG 12 11.154 -1.332 2.838 112 2HG ARG 12 HG1 ARG 12 11.257 -3.013 2.325 113 1HD ARG 12 HD2 ARG 12 13.664 -2.995 2.692 114 2HD ARG 12 HD1 ARG 12 13.590 -1.296 3.159 115 HE ARG 12 HE ARG 12 11.884 -2.479 4.887 116 1HH1 ARG 12 1HH1 ARG 12 15.188 -3.140 3.978 117 2HH1 ARG 12 2HH1 ARG 12 15.615 -3.792 5.524 118 1HH2 ARG 12 1HH2 ARG 12 12.444 -3.336 6.922 119 2HH2 ARG 12 2HH2 ARG 12 14.057 -3.904 7.196 120 H ASN 13 HN ASN 13 12.544 1.817 1.568 121 HA ASN 13 HA ASN 13 13.832 2.754 -0.818 122 1HB ASN 13 HB2 ASN 13 12.855 4.166 1.088 123 2HB ASN 13 HB1 ASN 13 14.362 3.841 1.895 124 1HD2 ASN 13 1HD2 ASN 13 14.023 4.299 -1.563 125 2HD2 ASN 13 2HD2 ASN 13 14.883 5.792 -1.632 126 H GLU 14 HN GLU 14 16.122 3.783 -0.124 127 HA GLU 14 HA GLU 14 17.892 1.512 -0.063 128 1HB GLU 14 HB2 GLU 14 18.284 3.287 -1.657 129 2HB GLU 14 HB1 GLU 14 18.372 4.478 -0.365 130 1HG GLU 14 HG2 GLU 14 20.568 3.822 -1.327 131 2HG GLU 14 HG1 GLU 14 20.440 3.584 0.414 132 H ASN 15 HN ASN 15 16.459 3.123 2.398 133 HA ASN 15 HA ASN 15 18.739 2.612 4.174 134 1HB ASN 15 HB2 ASN 15 18.620 5.046 3.734 135 2HB ASN 15 HB1 ASN 15 16.968 5.058 4.344 136 1HD2 ASN 15 1HD2 ASN 15 16.941 5.990 6.251 137 2HD2 ASN 15 2HD2 ASN 15 18.063 5.717 7.535 138 H ASN 16 HN ASN 16 16.844 0.757 3.883 139 HA ASN 16 HA ASN 16 15.165 -0.437 4.873 140 1HB ASN 16 HB2 ASN 16 15.448 -0.766 7.255 141 2HB ASN 16 HB1 ASN 16 17.032 -0.639 6.499 142 1HD2 ASN 16 1HD2 ASN 16 18.376 0.376 7.783 143 2HD2 ASN 16 2HD2 ASN 16 18.024 1.773 8.737 144 H GLU 17 HN GLU 17 14.517 2.354 4.159 145 HA GLU 17 HA GLU 17 12.261 2.755 6.007 146 1HB GLU 17 HB2 GLU 17 12.352 5.173 5.234 147 2HB GLU 17 HB1 GLU 17 13.663 4.653 6.283 148 1HG GLU 17 HG2 GLU 17 15.027 4.274 4.204 149 2HG GLU 17 HG1 GLU 17 13.741 5.087 3.313 150 H ILE 18 HN ILE 18 10.241 3.057 5.073 151 HA ILE 18 HA ILE 18 10.167 2.576 2.172 152 HB ILE 18 HB ILE 18 8.294 1.762 4.363 153 1HG1 ILE 18 2HG1 ILE 18 9.254 -0.011 2.169 154 2HG1 ILE 18 1HG1 ILE 18 10.387 0.444 3.437 155 1HG2 ILE 18 1HG2 ILE 18 7.632 2.342 1.576 156 2HG2 ILE 18 2HG2 ILE 18 6.579 2.157 2.976 157 3HG2 ILE 18 3HG2 ILE 18 7.151 0.734 2.111 158 1HD1 ILE 18 1HD1 ILE 18 9.055 -1.734 3.683 159 2HD1 ILE 18 2HD1 ILE 18 7.705 -0.685 4.115 160 3HD1 ILE 18 3HD1 ILE 18 9.183 -0.662 5.078 161 H PHE 19 HN PHE 19 8.957 3.808 0.846 162 HA PHE 19 HA PHE 19 8.073 6.368 1.894 163 1HB PHE 19 HB2 PHE 19 9.155 6.927 -0.011 164 2HB PHE 19 HB1 PHE 19 8.995 5.313 -0.686 165 HD1 PHE 19 HD1 PHE 19 7.799 8.690 -0.737 166 HD2 PHE 19 HD2 PHE 19 6.837 4.690 -1.827 167 HE1 PHE 19 HE1 PHE 19 6.126 9.529 -2.332 168 HE2 PHE 19 HE2 PHE 19 5.160 5.524 -3.423 169 HZ PHE 19 HZ PHE 19 4.803 7.947 -3.677 170 H ILE 20 HN ILE 20 6.028 6.794 2.367 171 HA ILE 20 HA ILE 20 3.918 5.174 1.094 172 HB ILE 20 HB ILE 20 2.952 6.361 3.518 173 1HG1 ILE 20 2HG1 ILE 20 5.435 6.185 4.118 174 2HG1 ILE 20 1HG1 ILE 20 4.297 5.408 5.211 175 1HG2 ILE 20 1HG2 ILE 20 2.444 3.994 4.061 176 2HG2 ILE 20 2HG2 ILE 20 3.350 3.518 2.625 177 3HG2 ILE 20 3HG2 ILE 20 1.895 4.500 2.463 178 1HD1 ILE 20 1HD1 ILE 20 4.779 3.252 4.095 179 2HD1 ILE 20 2HD1 ILE 20 6.179 3.973 4.890 180 3HD1 ILE 20 3HD1 ILE 20 6.014 4.070 3.137 181 H THR 21 HN THR 21 1.798 6.291 0.967 182 HA THR 21 HA THR 21 2.213 9.080 0.193 183 HB THR 21 HB THR 21 0.336 8.883 -1.188 184 HG1 THR 21 HG1 THR 21 -1.370 7.827 -0.607 185 1HG2 THR 21 1HG2 THR 21 2.022 7.505 -2.152 186 2HG2 THR 21 2HG2 THR 21 0.467 6.695 -2.350 187 3HG2 THR 21 3HG2 THR 21 1.590 6.156 -1.102 188 H ARG 22 HN ARG 22 1.833 10.548 1.725 189 HA ARG 22 HA ARG 22 -0.100 9.978 3.828 190 1HB ARG 22 HB2 ARG 22 0.762 12.157 4.786 191 2HB ARG 22 HB1 ARG 22 1.936 10.854 4.663 192 1HG ARG 22 HG2 ARG 22 2.933 11.849 2.729 193 2HG ARG 22 HG1 ARG 22 1.666 13.074 2.650 194 1HD ARG 22 HD2 ARG 22 3.013 12.959 5.237 195 2HD ARG 22 HD1 ARG 22 4.096 13.351 3.902 196 HE ARG 22 HE ARG 22 2.002 15.004 3.489 197 1HH1 ARG 22 1HH1 ARG 22 3.998 14.350 6.276 198 2HH1 ARG 22 2HH1 ARG 22 3.830 15.946 6.927 199 1HH2 ARG 22 1HH2 ARG 22 1.780 17.104 4.343 200 2HH2 ARG 22 2HH2 ARG 22 2.570 17.509 5.830 201 H ARG 23 HN ARG 23 -1.993 10.111 2.556 202 HA ARG 23 HA ARG 23 -3.719 11.123 1.427 203 1HB ARG 23 HB2 ARG 23 -3.085 12.827 3.797 204 2HB ARG 23 HB1 ARG 23 -4.341 13.350 2.683 205 1HG ARG 23 HG2 ARG 23 -4.379 10.580 3.801 206 2HG ARG 23 HG1 ARG 23 -4.979 11.941 4.751 207 1HD ARG 23 HD2 ARG 23 -6.919 11.398 3.711 208 2HD ARG 23 HD1 ARG 23 -6.250 12.443 2.459 209 HE ARG 23 HE ARG 23 -5.308 9.977 1.819 210 1HH1 ARG 23 1HH1 ARG 23 -8.492 11.270 2.423 211 2HH1 ARG 23 2HH1 ARG 23 -9.283 10.157 1.358 212 1HH2 ARG 23 1HH2 ARG 23 -6.346 8.512 0.418 213 2HH2 ARG 23 2HH2 ARG 23 -8.065 8.590 0.220 214 H ALA 24 HN ALA 24 -1.148 11.710 0.242 215 HA ALA 24 HA ALA 24 -0.274 13.007 -1.409 216 1HB ALA 24 HB1 ALA 24 -3.058 14.161 -1.412 217 2HB ALA 24 HB2 ALA 24 -2.419 12.900 -2.465 218 3HB ALA 24 HB3 ALA 24 -1.821 14.553 -2.607 219 H ALA 25 HN ALA 25 -2.440 15.481 -0.084 220 HA ALA 25 HA ALA 25 -0.108 16.880 1.031 221 1HB ALA 25 HB1 ALA 25 -2.096 17.934 -0.942 222 2HB ALA 25 HB2 ALA 25 -0.337 18.069 -0.946 223 3HB ALA 25 HB3 ALA 25 -1.292 19.023 0.189 224 H ASP 26 HN ASP 26 -3.653 16.770 0.835 225 HA ASP 26 HA ASP 26 -3.972 16.766 3.643 226 1HB ASP 26 HB2 ASP 26 -5.342 19.067 3.455 227 2HB ASP 26 HB1 ASP 26 -3.651 19.004 3.940 228 H ALA 27 HN ALA 27 -6.046 18.524 1.372 229 HA ALA 27 HA ALA 27 -8.239 18.196 0.815 230 1HB ALA 27 HB1 ALA 27 -7.641 15.302 0.418 231 2HB ALA 27 HB2 ALA 27 -6.796 16.504 -0.558 232 3HB ALA 27 HB3 ALA 27 -8.557 16.413 -0.600 233 H HIS 28 HN HIS 28 -7.814 18.038 3.602 234 HA HIS 28 HA HIS 28 -8.894 17.450 5.515 235 1HB HIS 28 HB2 HIS 28 -10.857 17.707 3.674 236 2HB HIS 28 HB1 HIS 28 -11.085 16.021 4.125 237 HD1 HIS 28 HD1 HIS 28 -12.515 15.645 6.110 238 HD2 HIS 28 HD2 HIS 28 -10.891 19.469 6.071 239 HE1 HIS 28 HE1 HIS 28 -13.533 16.827 8.083 240 HE2 HIS 28 HE2 HIS 28 -12.469 19.111 8.089 241 H MET 29 HN MET 29 -9.324 15.653 6.918 242 HA MET 29 HA MET 29 -8.898 13.582 7.756 243 1HB MET 29 HB2 MET 29 -9.372 12.672 4.911 244 2HB MET 29 HB1 MET 29 -9.398 11.651 6.342 245 1HG MET 29 HG2 MET 29 -11.576 12.010 6.450 246 2HG MET 29 HG1 MET 29 -11.210 13.673 6.907 247 1HE MET 29 HE1 MET 29 -13.594 12.042 5.361 248 2HE MET 29 HE2 MET 29 -14.103 13.004 3.973 249 3HE MET 29 HE3 MET 29 -14.039 13.735 5.577 250 H ALA 30 HN ALA 30 -6.663 14.805 7.634 251 HA ALA 30 HA ALA 30 -4.696 13.780 5.857 252 1HB ALA 30 HB1 ALA 30 -3.824 14.870 8.460 253 2HB ALA 30 HB2 ALA 30 -4.789 15.936 7.439 254 3HB ALA 30 HB3 ALA 30 -3.283 15.254 6.826 255 H ASN 31 HN ASN 31 -6.233 12.346 8.477 256 HA ASN 31 HA ASN 31 -3.954 10.791 9.367 257 1HB ASN 31 HB2 ASN 31 -6.612 11.416 10.357 258 2HB ASN 31 HB1 ASN 31 -6.264 9.697 10.486 259 1HD2 ASN 31 1HD2 ASN 31 -3.916 12.306 10.670 260 2HD2 ASN 31 2HD2 ASN 31 -3.483 12.046 12.322 261 H LYS 32 HN LYS 32 -4.870 10.513 6.574 262 HA LYS 32 HA LYS 32 -5.656 7.685 6.624 263 1HB LYS 32 HB2 LYS 32 -6.580 9.922 5.007 264 2HB LYS 32 HB1 LYS 32 -6.073 8.555 4.025 265 1HG LYS 32 HG2 LYS 32 -8.110 7.737 4.357 266 2HG LYS 32 HG1 LYS 32 -7.584 7.379 6.003 267 1HD LYS 32 HD2 LYS 32 -9.360 8.639 6.580 268 2HD LYS 32 HD1 LYS 32 -8.270 9.987 6.248 269 1HE LYS 32 HE2 LYS 32 -9.373 10.584 4.376 270 2HE LYS 32 HE1 LYS 32 -9.685 8.914 3.905 271 1HZ LYS 32 HZ1 LYS 32 -11.126 10.079 6.190 272 2HZ LYS 32 HZ2 LYS 32 -11.596 8.826 5.156 273 3HZ LYS 32 HZ3 LYS 32 -11.637 10.428 4.615 274 H LEU 33 HN LEU 33 -2.984 8.839 6.846 275 HA LEU 33 HA LEU 33 -1.407 8.767 4.613 276 1HB LEU 33 HB2 LEU 33 -0.822 9.126 7.109 277 2HB LEU 33 HB1 LEU 33 -0.563 7.395 7.143 278 HG LEU 33 HG LEU 33 0.919 9.369 5.409 279 1HD1 LEU 33 1HD1 LEU 33 2.853 8.556 6.835 280 2HD1 LEU 33 2HD1 LEU 33 1.633 7.905 7.930 281 3HD1 LEU 33 3HD1 LEU 33 1.696 9.638 7.608 282 1HD2 LEU 33 1HD2 LEU 33 2.390 7.180 5.219 283 2HD2 LEU 33 2HD2 LEU 33 1.050 7.494 4.116 284 3HD2 LEU 33 3HD2 LEU 33 0.830 6.401 5.482 285 H GLU 34 HN GLU 34 -1.954 7.280 3.031 286 HA GLU 34 HA GLU 34 -1.681 4.443 3.775 287 1HB GLU 34 HB2 GLU 34 -3.342 5.755 1.629 288 2HB GLU 34 HB1 GLU 34 -3.028 4.026 1.659 289 1HG GLU 34 HG2 GLU 34 -4.316 3.683 3.530 290 2HG GLU 34 HG1 GLU 34 -4.157 5.352 4.075 291 H PHE 35 HN PHE 35 -1.270 3.146 1.578 292 HA PHE 35 HA PHE 35 1.112 4.359 0.346 293 1HB PHE 35 HB2 PHE 35 1.400 1.583 0.112 294 2HB PHE 35 HB1 PHE 35 2.296 2.653 1.179 295 HD1 PHE 35 HD1 PHE 35 2.466 1.890 3.326 296 HD2 PHE 35 HD2 PHE 35 -1.109 1.102 1.158 297 HE1 PHE 35 HE1 PHE 35 1.547 0.714 5.280 298 HE2 PHE 35 HE2 PHE 35 -2.036 -0.076 3.110 299 HZ PHE 35 HZ PHE 35 -0.707 -0.271 5.174 300 HA PRO 36 HA PRO 36 -0.317 3.655 -3.763 301 1HB PRO 36 HB2 PRO 36 1.710 2.127 -4.861 302 2HB PRO 36 HB1 PRO 36 1.748 3.883 -4.699 303 1HG PRO 36 HG2 PRO 36 2.966 1.792 -2.945 304 2HG PRO 36 HG1 PRO 36 3.635 3.351 -3.464 305 1HD PRO 36 HD2 PRO 36 2.621 3.030 -1.012 306 2HD PRO 36 HD1 PRO 36 2.384 4.544 -1.910 307 H GLY 37 HN GLY 37 -0.922 1.940 -5.365 308 1HA GLY 37 HA2 GLY 37 -1.319 -0.379 -5.845 309 2HA GLY 37 HA1 GLY 37 -1.173 -0.706 -4.142 310 H GLY 38 HN GLY 38 -3.117 1.344 -6.179 311 1HA GLY 38 HA2 GLY 38 -5.546 0.270 -4.911 312 2HA GLY 38 HA1 GLY 38 -5.340 2.000 -5.165 313 H LYS 39 HN LYS 39 -6.986 -0.506 -6.315 314 HA LYS 39 HA LYS 39 -8.429 -0.216 -8.184 315 1HB LYS 39 HB2 LYS 39 -7.199 1.819 -8.958 316 2HB LYS 39 HB1 LYS 39 -6.016 0.757 -9.710 317 1HG LYS 39 HG2 LYS 39 -7.301 0.415 -11.477 318 2HG LYS 39 HG1 LYS 39 -8.708 0.053 -10.480 319 1HD LYS 39 HD2 LYS 39 -7.724 2.779 -11.324 320 2HD LYS 39 HD1 LYS 39 -9.192 1.967 -11.866 321 1HE LYS 39 HE2 LYS 39 -8.584 3.197 -9.202 322 2HE LYS 39 HE1 LYS 39 -9.953 3.488 -10.272 323 1HZ LYS 39 HZ1 LYS 39 -10.309 0.917 -9.734 324 2HZ LYS 39 HZ2 LYS 39 -10.980 2.155 -8.798 325 3HZ LYS 39 HZ3 LYS 39 -9.556 1.394 -8.296 326 H ILE 40 HN ILE 40 -5.949 -2.115 -7.360 327 HA ILE 40 HA ILE 40 -5.357 -3.607 -9.643 328 HB ILE 40 HB ILE 40 -4.431 -5.238 -8.296 329 1HG1 ILE 40 2HG1 ILE 40 -5.669 -4.598 -5.714 330 2HG1 ILE 40 1HG1 ILE 40 -6.815 -5.204 -6.899 331 1HG2 ILE 40 1HG2 ILE 40 -4.283 -3.187 -6.193 332 2HG2 ILE 40 2HG2 ILE 40 -3.846 -2.669 -7.818 333 3HG2 ILE 40 3HG2 ILE 40 -2.996 -4.017 -7.065 334 1HD1 ILE 40 1HD1 ILE 40 -4.296 -6.706 -6.644 335 2HD1 ILE 40 2HD1 ILE 40 -5.948 -7.277 -6.883 336 3HD1 ILE 40 3HD1 ILE 40 -5.409 -6.782 -5.278 337 H GLU 41 HN GLU 41 -8.148 -3.461 -7.720 338 HA GLU 41 HA GLU 41 -9.373 -5.888 -8.053 339 1HB GLU 41 HB2 GLU 41 -11.538 -4.452 -8.105 340 2HB GLU 41 HB1 GLU 41 -10.514 -4.424 -6.681 341 1HG GLU 41 HG2 GLU 41 -10.347 -2.233 -6.829 342 2HG GLU 41 HG1 GLU 41 -9.608 -2.376 -8.415 343 H MET 42 HN MET 42 -10.251 -3.101 -10.081 344 HA MET 42 HA MET 42 -11.438 -3.217 -12.102 345 1HB MET 42 HB2 MET 42 -8.545 -3.458 -12.264 346 2HB MET 42 HB1 MET 42 -9.337 -4.066 -13.711 347 1HG MET 42 HG2 MET 42 -10.115 -2.028 -14.318 348 2HG MET 42 HG1 MET 42 -10.245 -1.456 -12.656 349 1HE MET 42 HE1 MET 42 -7.108 -0.387 -15.590 350 2HE MET 42 HE2 MET 42 -8.835 -0.710 -15.748 351 3HE MET 42 HE3 MET 42 -7.688 -2.049 -15.696 352 H GLY 43 HN GLY 43 -9.214 -5.825 -12.927 353 1HA GLY 43 HA2 GLY 43 -11.279 -7.845 -12.818 354 2HA GLY 43 HA1 GLY 43 -10.846 -7.340 -14.438 355 H GLU 44 HN GLU 44 -8.428 -7.311 -11.999 356 HA GLU 44 HA GLU 44 -7.061 -9.502 -13.380 357 1HB GLU 44 HB2 GLU 44 -6.178 -7.168 -11.760 358 2HB GLU 44 HB1 GLU 44 -5.173 -8.610 -11.720 359 1HG GLU 44 HG2 GLU 44 -4.193 -7.725 -13.516 360 2HG GLU 44 HG1 GLU 44 -5.601 -8.332 -14.387 361 H THR 45 HN THR 45 -5.415 -10.597 -11.647 362 HA THR 45 HA THR 45 -7.172 -11.699 -9.556 363 HB THR 45 HB THR 45 -4.832 -13.311 -10.091 364 HG1 THR 45 HG1 THR 45 -4.870 -13.493 -12.179 365 1HG2 THR 45 1HG2 THR 45 -7.720 -13.667 -9.871 366 2HG2 THR 45 2HG2 THR 45 -6.397 -14.696 -9.324 367 3HG2 THR 45 3HG2 THR 45 -6.932 -14.765 -11.004 368 HA PRO 46 HA PRO 46 -4.712 -10.336 -6.167 369 1HB PRO 46 HB2 PRO 46 -3.836 -12.866 -5.208 370 2HB PRO 46 HB1 PRO 46 -5.206 -11.916 -4.633 371 1HG PRO 46 HG2 PRO 46 -5.152 -14.184 -6.547 372 2HG PRO 46 HG1 PRO 46 -6.417 -13.704 -5.401 373 1HD PRO 46 HD2 PRO 46 -6.702 -13.262 -8.012 374 2HD PRO 46 HD1 PRO 46 -7.253 -12.062 -6.828 375 H GLU 47 HN GLU 47 -3.380 -12.642 -8.436 376 HA GLU 47 HA GLU 47 -0.653 -12.152 -7.614 377 1HB GLU 47 HB2 GLU 47 -2.049 -14.074 -9.285 378 2HB GLU 47 HB1 GLU 47 -0.578 -13.490 -10.051 379 1HG GLU 47 HG2 GLU 47 -0.419 -14.309 -7.207 380 2HG GLU 47 HG1 GLU 47 -0.599 -15.573 -8.422 381 H GLN 48 HN GLN 48 -2.378 -11.738 -10.743 382 HA GLN 48 HA GLN 48 -0.300 -9.987 -11.695 383 1HB GLN 48 HB2 GLN 48 -1.565 -9.891 -13.754 384 2HB GLN 48 HB1 GLN 48 -1.474 -11.555 -13.193 385 1HG GLN 48 HG2 GLN 48 -3.736 -11.429 -12.350 386 2HG GLN 48 HG1 GLN 48 -3.834 -9.728 -12.806 387 1HE2 GLN 48 1HE2 GLN 48 -5.780 -11.064 -13.801 388 2HE2 GLN 48 2HE2 GLN 48 -5.555 -11.482 -15.462 389 H ALA 49 HN ALA 49 -3.296 -9.560 -10.056 390 HA ALA 49 HA ALA 49 -4.087 -7.046 -10.944 391 1HB ALA 49 HB1 ALA 49 -5.391 -8.530 -9.432 392 2HB ALA 49 HB2 ALA 49 -5.330 -6.850 -8.903 393 3HB ALA 49 HB3 ALA 49 -4.317 -8.060 -8.115 394 H VAL 50 HN VAL 50 -1.889 -7.884 -8.276 395 HA VAL 50 HA VAL 50 -1.265 -5.120 -7.769 396 HB VAL 50 HB VAL 50 -0.175 -5.787 -5.900 397 1HG1 VAL 50 1HG1 VAL 50 -2.384 -7.236 -6.311 398 2HG1 VAL 50 2HG1 VAL 50 -1.416 -7.348 -4.842 399 3HG1 VAL 50 3HG1 VAL 50 -1.213 -8.541 -6.124 400 1HG2 VAL 50 1HG2 VAL 50 0.844 -8.214 -7.373 401 2HG2 VAL 50 2HG2 VAL 50 1.241 -7.801 -5.705 402 3HG2 VAL 50 3HG2 VAL 50 1.744 -6.739 -7.020 403 H VAL 51 HN VAL 51 0.435 -7.879 -9.213 404 HA VAL 51 HA VAL 51 2.870 -6.638 -9.733 405 HB VAL 51 HB VAL 51 1.537 -8.740 -11.447 406 1HG1 VAL 51 1HG1 VAL 51 4.230 -9.239 -11.440 407 2HG1 VAL 51 2HG1 VAL 51 4.170 -7.476 -11.472 408 3HG1 VAL 51 3HG1 VAL 51 3.346 -8.409 -12.722 409 1HG2 VAL 51 1HG2 VAL 51 3.554 -9.502 -9.432 410 2HG2 VAL 51 2HG2 VAL 51 2.098 -10.347 -9.958 411 3HG2 VAL 51 3HG2 VAL 51 1.978 -9.015 -8.808 412 H ARG 52 HN ARG 52 -0.142 -6.602 -11.542 413 HA ARG 52 HA ARG 52 1.002 -5.214 -13.774 414 1HB ARG 52 HB2 ARG 52 -1.848 -5.824 -12.994 415 2HB ARG 52 HB1 ARG 52 -1.426 -4.931 -14.449 416 1HG ARG 52 HG2 ARG 52 0.120 -7.315 -14.388 417 2HG ARG 52 HG1 ARG 52 -1.565 -7.731 -14.073 418 1HD ARG 52 HD2 ARG 52 -2.001 -6.105 -16.093 419 2HD ARG 52 HD1 ARG 52 -0.326 -6.493 -16.486 420 HE ARG 52 HE ARG 52 -1.444 -8.923 -16.095 421 1HH1 ARG 52 1HH1 ARG 52 -2.331 -6.182 -18.065 422 2HH1 ARG 52 2HH1 ARG 52 -3.087 -7.147 -19.288 423 1HH2 ARG 52 1HH2 ARG 52 -2.438 -10.194 -17.703 424 2HH2 ARG 52 2HH2 ARG 52 -3.149 -9.425 -19.082 425 H GLU 53 HN GLU 53 -1.178 -4.333 -11.113 426 HA GLU 53 HA GLU 53 -1.342 -1.595 -11.817 427 1HB GLU 53 HB2 GLU 53 -2.028 -3.199 -9.391 428 2HB GLU 53 HB1 GLU 53 -1.989 -1.447 -9.267 429 1HG GLU 53 HG2 GLU 53 -3.727 -3.114 -11.066 430 2HG GLU 53 HG1 GLU 53 -4.227 -2.124 -9.697 431 H LEU 54 HN LEU 54 1.085 -3.448 -10.236 432 HA LEU 54 HA LEU 54 2.249 -1.554 -8.554 433 1HB LEU 54 HB2 LEU 54 2.897 -4.118 -9.529 434 2HB LEU 54 HB1 LEU 54 4.278 -3.099 -9.881 435 HG LEU 54 HG LEU 54 4.556 -2.541 -7.568 436 1HD1 LEU 54 1HD1 LEU 54 1.806 -3.554 -7.364 437 2HD1 LEU 54 2HD1 LEU 54 2.635 -2.312 -6.424 438 3HD1 LEU 54 3HD1 LEU 54 2.875 -4.017 -6.040 439 1HD2 LEU 54 1HD2 LEU 54 4.365 -5.346 -8.420 440 2HD2 LEU 54 2HD2 LEU 54 4.456 -5.083 -6.679 441 3HD2 LEU 54 3HD2 LEU 54 5.721 -4.455 -7.735 442 H GLN 55 HN GLN 55 2.769 -2.168 -12.004 443 HA GLN 55 HA GLN 55 4.777 -0.209 -12.369 444 1HB GLN 55 HB2 GLN 55 3.246 -2.018 -14.012 445 2HB GLN 55 HB1 GLN 55 3.277 -0.427 -14.763 446 1HG GLN 55 HG2 GLN 55 5.446 -0.576 -15.289 447 2HG GLN 55 HG1 GLN 55 5.870 -1.343 -13.759 448 1HE2 GLN 55 1HE2 GLN 55 4.354 -1.958 -16.887 449 2HE2 GLN 55 2HE2 GLN 55 4.822 -3.618 -16.990 450 H GLU 56 HN GLU 56 1.290 -0.163 -12.357 451 HA GLU 56 HA GLU 56 1.040 2.539 -13.290 452 1HB GLU 56 HB2 GLU 56 -0.672 0.462 -13.211 453 2HB GLU 56 HB1 GLU 56 -1.162 1.294 -11.746 454 1HG GLU 56 HG2 GLU 56 -0.858 3.100 -13.995 455 2HG GLU 56 HG1 GLU 56 -2.036 1.825 -14.301 456 H GLU 57 HN GLU 57 1.529 0.975 -10.224 457 HA GLU 57 HA GLU 57 0.908 3.497 -8.846 458 1HB GLU 57 HB2 GLU 57 0.921 0.638 -7.944 459 2HB GLU 57 HB1 GLU 57 1.052 1.944 -6.774 460 1HG GLU 57 HG2 GLU 57 -1.262 1.021 -7.209 461 2HG GLU 57 HG1 GLU 57 -1.076 2.771 -7.287 462 H VAL 58 HN VAL 58 3.498 2.156 -10.188 463 HA VAL 58 HA VAL 58 5.302 3.291 -8.173 464 HB VAL 58 HB VAL 58 5.905 0.736 -9.678 465 1HG1 VAL 58 1HG1 VAL 58 8.006 1.350 -9.213 466 2HG1 VAL 58 2HG1 VAL 58 7.621 0.901 -7.551 467 3HG1 VAL 58 3HG1 VAL 58 7.488 2.583 -8.062 468 1HG2 VAL 58 1HG2 VAL 58 5.884 0.289 -6.899 469 2HG2 VAL 58 2HG2 VAL 58 4.794 -0.376 -8.114 470 3HG2 VAL 58 3HG2 VAL 58 4.383 1.128 -7.290 471 H GLY 59 HN GLY 59 4.871 2.127 -11.475 472 1HA GLY 59 HA2 GLY 59 5.520 2.998 -13.473 473 2HA GLY 59 HA1 GLY 59 5.864 4.491 -12.641 474 H ILE 60 HN ILE 60 7.847 3.501 -10.933 475 HA ILE 60 HA ILE 60 10.082 3.551 -12.704 476 HB ILE 60 HB ILE 60 11.206 3.016 -10.300 477 1HG1 ILE 60 2HG1 ILE 60 9.056 4.883 -9.453 478 2HG1 ILE 60 1HG1 ILE 60 8.737 3.153 -9.413 479 1HG2 ILE 60 1HG2 ILE 60 11.285 5.021 -12.043 480 2HG2 ILE 60 2HG2 ILE 60 12.029 5.117 -10.447 481 3HG2 ILE 60 3HG2 ILE 60 10.442 5.834 -10.724 482 1HD1 ILE 60 1HD1 ILE 60 10.877 2.937 -8.078 483 2HD1 ILE 60 2HD1 ILE 60 9.498 3.684 -7.273 484 3HD1 ILE 60 3HD1 ILE 60 10.806 4.689 -7.897 485 H THR 61 HN THR 61 11.997 2.023 -11.792 486 HA THR 61 HA THR 61 10.992 -0.720 -12.067 487 HB THR 61 HB THR 61 13.573 -0.894 -12.737 488 HG1 THR 61 HG1 THR 61 12.854 1.700 -13.589 489 1HG2 THR 61 1HG2 THR 61 11.539 0.182 -14.669 490 2HG2 THR 61 2HG2 THR 61 11.657 -1.512 -14.185 491 3HG2 THR 61 3HG2 THR 61 12.986 -0.750 -15.059 492 HA PRO 62 HA PRO 62 13.162 -0.797 -8.051 493 1HB PRO 62 HB2 PRO 62 11.120 -1.050 -6.448 494 2HB PRO 62 HB1 PRO 62 11.247 0.431 -7.406 495 1HG PRO 62 HG2 PRO 62 9.466 -1.928 -7.808 496 2HG PRO 62 HG1 PRO 62 9.135 -0.210 -8.090 497 1HD PRO 62 HD2 PRO 62 10.046 -2.156 -9.992 498 2HD PRO 62 HD1 PRO 62 9.778 -0.423 -10.243 499 H GLN 63 HN GLN 63 13.916 -2.564 -6.876 500 HA GLN 63 HA GLN 63 13.052 -5.195 -7.705 501 1HB GLN 63 HB2 GLN 63 14.786 -4.577 -5.307 502 2HB GLN 63 HB1 GLN 63 14.753 -6.048 -6.268 503 1HG GLN 63 HG2 GLN 63 15.812 -4.956 -8.104 504 2HG GLN 63 HG1 GLN 63 15.678 -3.387 -7.312 505 1HE2 GLN 63 1HE2 GLN 63 18.089 -3.893 -8.097 506 2HE2 GLN 63 2HE2 GLN 63 19.125 -4.407 -6.814 507 H HIS 64 HN HIS 64 10.876 -4.832 -7.226 508 HA HIS 64 HA HIS 64 10.166 -4.917 -4.372 509 1HB HIS 64 HB2 HIS 64 9.376 -2.860 -5.195 510 2HB HIS 64 HB1 HIS 64 9.004 -3.542 -6.749 511 HD1 HIS 64 HD1 HIS 64 7.600 -5.369 -3.853 512 HD2 HIS 64 HD2 HIS 64 6.424 -2.376 -6.478 513 HE1 HIS 64 HE1 HIS 64 5.108 -5.197 -3.599 514 HE2 HIS 64 HE2 HIS 64 4.447 -3.267 -5.073 515 H PHE 65 HN PHE 65 9.091 -6.666 -3.687 516 HA PHE 65 HA PHE 65 7.132 -8.044 -5.152 517 1HB PHE 65 HB2 PHE 65 9.432 -8.586 -6.300 518 2HB PHE 65 HB1 PHE 65 9.594 -9.684 -4.944 519 HD1 PHE 65 HD1 PHE 65 9.050 -11.868 -5.437 520 HD2 PHE 65 HD2 PHE 65 6.890 -8.724 -7.323 521 HE1 PHE 65 HE1 PHE 65 7.689 -13.529 -6.640 522 HE2 PHE 65 HE2 PHE 65 5.526 -10.378 -8.529 523 HZ PHE 65 HZ PHE 65 5.924 -12.783 -8.189 524 H SER 66 HN SER 66 6.581 -10.179 -4.148 525 HA SER 66 HA SER 66 6.325 -11.636 -2.399 526 1HB SER 66 HB2 SER 66 8.225 -9.919 -0.783 527 2HB SER 66 HB1 SER 66 7.692 -11.556 -0.414 528 HG SER 66 HG SER 66 9.028 -11.000 -2.831 529 H LEU 67 HN LEU 67 4.923 -11.717 -0.611 530 HA LEU 67 HA LEU 67 3.584 -9.157 -0.096 531 1HB LEU 67 HB2 LEU 67 1.562 -10.269 0.132 532 2HB LEU 67 HB1 LEU 67 2.349 -11.124 -1.180 533 HG LEU 67 HG LEU 67 3.138 -12.732 0.751 534 1HD1 LEU 67 1HD1 LEU 67 2.115 -12.604 2.730 535 2HD1 LEU 67 2HD1 LEU 67 0.542 -12.282 1.999 536 3HD1 LEU 67 3HD1 LEU 67 1.682 -10.961 2.256 537 1HD2 LEU 67 1HD2 LEU 67 0.303 -12.743 -0.278 538 2HD2 LEU 67 2HD2 LEU 67 1.216 -14.134 0.310 539 3HD2 LEU 67 3HD2 LEU 67 1.711 -13.317 -1.173 540 H PHE 68 HN PHE 68 3.570 -8.310 1.871 541 HA PHE 68 HA PHE 68 4.977 -9.634 4.001 542 1HB PHE 68 HB2 PHE 68 5.446 -7.479 4.417 543 2HB PHE 68 HB1 PHE 68 4.167 -6.933 3.342 544 HD1 PHE 68 HD1 PHE 68 1.772 -6.923 4.313 545 HD2 PHE 68 HD2 PHE 68 5.292 -7.111 6.693 546 HE1 PHE 68 HE1 PHE 68 0.500 -6.090 6.245 547 HE2 PHE 68 HE2 PHE 68 4.029 -6.284 8.633 548 HZ PHE 68 HZ PHE 68 1.629 -5.768 8.412 549 H GLU 69 HN GLU 69 1.653 -8.689 3.307 550 HA GLU 69 HA GLU 69 0.547 -10.791 4.841 551 1HB GLU 69 HB2 GLU 69 1.326 -8.796 6.480 552 2HB GLU 69 HB1 GLU 69 -0.280 -8.218 6.058 553 1HG GLU 69 HG2 GLU 69 -1.252 -10.307 6.838 554 2HG GLU 69 HG1 GLU 69 0.355 -10.917 7.230 555 H LYS 70 HN LYS 70 -1.894 -10.570 4.971 556 HA LYS 70 HA LYS 70 -2.988 -8.724 2.990 557 1HB LYS 70 HB2 LYS 70 -4.309 -10.693 2.020 558 2HB LYS 70 HB1 LYS 70 -2.615 -10.557 1.569 559 1HG LYS 70 HG2 LYS 70 -2.068 -12.223 3.324 560 2HG LYS 70 HG1 LYS 70 -3.797 -12.421 3.615 561 1HD LYS 70 HD2 LYS 70 -4.099 -13.641 1.745 562 2HD LYS 70 HD1 LYS 70 -2.976 -12.659 0.803 563 1HE LYS 70 HE2 LYS 70 -1.258 -14.045 1.193 564 2HE LYS 70 HE1 LYS 70 -1.687 -14.248 2.890 565 1HZ LYS 70 HZ1 LYS 70 -2.875 -16.094 2.460 566 2HZ LYS 70 HZ2 LYS 70 -1.892 -16.184 1.087 567 3HZ LYS 70 HZ3 LYS 70 -3.448 -15.533 0.970 568 H LEU 71 HN LEU 71 -4.930 -7.947 3.552 569 HA LEU 71 HA LEU 71 -6.338 -9.275 5.775 570 1HB LEU 71 HB2 LEU 71 -7.218 -7.024 6.346 571 2HB LEU 71 HB1 LEU 71 -5.481 -7.176 6.527 572 HG LEU 71 HG LEU 71 -6.590 -6.047 3.989 573 1HD1 LEU 71 1HD1 LEU 71 -6.686 -4.801 6.668 574 2HD1 LEU 71 2HD1 LEU 71 -7.709 -4.542 5.256 575 3HD1 LEU 71 3HD1 LEU 71 -6.113 -3.797 5.336 576 1HD2 LEU 71 1HD2 LEU 71 -4.482 -5.352 3.626 577 2HD2 LEU 71 2HD2 LEU 71 -4.068 -6.598 4.803 578 3HD2 LEU 71 3HD2 LEU 71 -4.223 -4.917 5.314 579 H GLU 72 HN GLU 72 -8.267 -10.081 5.292 580 HA GLU 72 HA GLU 72 -9.749 -8.913 3.034 581 1HB GLU 72 HB2 GLU 72 -9.106 -11.027 2.261 582 2HB GLU 72 HB1 GLU 72 -9.316 -11.774 3.838 583 1HG GLU 72 HG2 GLU 72 -11.704 -11.656 3.630 584 2HG GLU 72 HG1 GLU 72 -11.565 -10.761 2.118 585 H TYR 73 HN TYR 73 -11.381 -7.774 3.846 586 HA TYR 73 HA TYR 73 -13.155 -9.058 5.786 587 1HB TYR 73 HB2 TYR 73 -11.590 -7.567 7.039 588 2HB TYR 73 HB1 TYR 73 -12.191 -6.207 6.096 589 HD1 TYR 73 HD1 TYR 73 -13.317 -8.886 8.424 590 HD2 TYR 73 HD2 TYR 73 -14.056 -5.012 6.829 591 HE1 TYR 73 HE1 TYR 73 -15.129 -8.566 10.056 592 HE2 TYR 73 HE2 TYR 73 -15.868 -4.681 8.457 593 HH TYR 73 HH TYR 73 -17.370 -6.001 9.835 594 H GLU 74 HN GLU 74 -15.317 -8.340 5.699 595 HA GLU 74 HA GLU 74 -15.936 -6.637 3.377 596 1HB GLU 74 HB2 GLU 74 -18.106 -8.003 3.277 597 2HB GLU 74 HB1 GLU 74 -16.634 -8.757 2.683 598 1HG GLU 74 HG2 GLU 74 -16.494 -9.682 5.129 599 2HG GLU 74 HG1 GLU 74 -18.225 -9.351 5.127 600 H PHE 75 HN PHE 75 -16.916 -4.836 3.872 601 HA PHE 75 HA PHE 75 -17.893 -4.259 6.468 602 1HB PHE 75 HB2 PHE 75 -17.517 -2.842 3.917 603 2HB PHE 75 HB1 PHE 75 -18.856 -2.251 4.883 604 HD1 PHE 75 HD1 PHE 75 -17.627 -2.773 7.621 605 HD2 PHE 75 HD2 PHE 75 -16.064 -1.019 4.070 606 HE1 PHE 75 HE1 PHE 75 -16.042 -1.463 8.968 607 HE2 PHE 75 HE2 PHE 75 -14.476 0.292 5.414 608 HZ PHE 75 HZ PHE 75 -14.463 0.071 7.866 609 HA PRO 76 HA PRO 76 -22.171 -5.287 6.500 610 1HB PRO 76 HB2 PRO 76 -23.383 -2.767 6.710 611 2HB PRO 76 HB1 PRO 76 -22.853 -3.784 8.052 612 1HG PRO 76 HG2 PRO 76 -21.477 -1.479 6.758 613 2HG PRO 76 HG1 PRO 76 -21.496 -1.967 8.464 614 1HD PRO 76 HD2 PRO 76 -19.371 -2.426 6.912 615 2HD PRO 76 HD1 PRO 76 -19.875 -3.606 8.137 616 H ASP 77 HN ASP 77 -21.987 -5.920 4.273 617 HA ASP 77 HA ASP 77 -23.289 -6.130 2.352 618 1HB ASP 77 HB2 ASP 77 -24.769 -4.231 3.363 619 2HB ASP 77 HB1 ASP 77 -23.860 -3.186 2.276 620 H ARG 78 HN ARG 78 -20.465 -5.054 2.911 621 HA ARG 78 HA ARG 78 -19.882 -4.440 0.108 622 1HB ARG 78 HB2 ARG 78 -19.881 -2.307 1.345 623 2HB ARG 78 HB1 ARG 78 -18.697 -2.962 2.463 624 1HG ARG 78 HG2 ARG 78 -17.086 -3.180 0.638 625 2HG ARG 78 HG1 ARG 78 -18.276 -2.518 -0.485 626 1HD ARG 78 HD2 ARG 78 -18.038 -0.397 0.298 627 2HD ARG 78 HD1 ARG 78 -17.692 -0.928 1.943 628 HE ARG 78 HE ARG 78 -15.569 -1.607 0.186 629 1HH1 ARG 78 1HH1 ARG 78 -16.982 1.086 1.898 630 2HH1 ARG 78 2HH1 ARG 78 -15.495 1.967 1.994 631 1HH2 ARG 78 1HH2 ARG 78 -13.610 -0.447 0.311 632 2HH2 ARG 78 2HH2 ARG 78 -13.581 1.098 1.094 633 H HIS 79 HN HIS 79 -17.893 -5.205 -0.635 634 HA HIS 79 HA HIS 79 -16.445 -6.959 1.239 635 1HB HIS 79 HB2 HIS 79 -17.847 -8.010 -0.688 636 2HB HIS 79 HB1 HIS 79 -16.530 -7.462 -1.721 637 HD1 HIS 79 HD1 HIS 79 -16.492 -10.231 -2.003 638 HD2 HIS 79 HD2 HIS 79 -14.994 -8.596 1.511 639 HE1 HIS 79 HE1 HIS 79 -15.036 -12.018 -0.997 640 HE2 HIS 79 HE2 HIS 79 -14.072 -10.975 1.083 641 H ILE 80 HN ILE 80 -14.728 -5.692 1.767 642 HA ILE 80 HA ILE 80 -13.182 -4.496 -0.419 643 HB ILE 80 HB ILE 80 -13.758 -2.808 1.125 644 1HG1 ILE 80 2HG1 ILE 80 -11.015 -3.688 2.018 645 2HG1 ILE 80 1HG1 ILE 80 -11.329 -2.946 0.453 646 1HG2 ILE 80 1HG2 ILE 80 -13.304 -3.026 3.568 647 2HG2 ILE 80 2HG2 ILE 80 -12.932 -4.728 3.294 648 3HG2 ILE 80 3HG2 ILE 80 -14.552 -4.115 2.961 649 1HD1 ILE 80 1HD1 ILE 80 -12.277 -0.982 1.698 650 2HD1 ILE 80 2HD1 ILE 80 -10.543 -1.240 1.886 651 3HD1 ILE 80 3HD1 ILE 80 -11.650 -1.717 3.173 652 H THR 81 HN THR 81 -11.381 -5.480 -1.011 653 HA THR 81 HA THR 81 -10.062 -7.300 0.890 654 HB THR 81 HB THR 81 -9.272 -7.497 -1.932 655 HG1 THR 81 HG1 THR 81 -11.472 -7.048 -2.230 656 1HG2 THR 81 1HG2 THR 81 -10.475 -9.666 -0.265 657 2HG2 THR 81 2HG2 THR 81 -8.809 -9.138 -0.023 658 3HG2 THR 81 3HG2 THR 81 -9.311 -9.786 -1.585 659 H LEU 82 HN LEU 82 -8.157 -6.671 1.676 660 HA LEU 82 HA LEU 82 -6.550 -4.776 0.092 661 1HB LEU 82 HB2 LEU 82 -7.470 -4.634 2.893 662 2HB LEU 82 HB1 LEU 82 -5.796 -4.190 2.622 663 HG LEU 82 HG LEU 82 -8.113 -2.945 1.147 664 1HD1 LEU 82 1HD1 LEU 82 -6.571 -1.655 3.369 665 2HD1 LEU 82 2HD1 LEU 82 -8.026 -2.599 3.684 666 3HD1 LEU 82 3HD1 LEU 82 -8.109 -1.168 2.657 667 1HD2 LEU 82 1HD2 LEU 82 -5.819 -2.917 0.101 668 2HD2 LEU 82 2HD2 LEU 82 -5.294 -1.943 1.475 669 3HD2 LEU 82 3HD2 LEU 82 -6.546 -1.337 0.390 670 H TRP 83 HN TRP 83 -4.730 -5.719 -0.535 671 HA TRP 83 HA TRP 83 -3.506 -7.734 1.225 672 1HB TRP 83 HB2 TRP 83 -3.213 -7.292 -1.753 673 2HB TRP 83 HB1 TRP 83 -2.275 -8.463 -0.830 674 HD1 TRP 83 HD1 TRP 83 -6.042 -7.865 -0.383 675 HE1 TRP 83 HE1 TRP 83 -7.286 -10.038 -0.954 676 HE3 TRP 83 HE3 TRP 83 -2.088 -10.637 -2.041 677 HZ2 TRP 83 HZ2 TRP 83 -6.670 -12.602 -1.974 678 HZ3 TRP 83 HZ3 TRP 83 -2.497 -12.943 -2.795 679 HH2 TRP 83 HH2 TRP 83 -4.742 -13.904 -2.762 680 H PHE 84 HN PHE 84 -1.740 -7.191 2.268 681 HA PHE 84 HA PHE 84 -0.291 -4.776 1.481 682 1HB PHE 84 HB2 PHE 84 -0.358 -6.427 3.998 683 2HB PHE 84 HB1 PHE 84 0.951 -5.287 3.709 684 HD1 PHE 84 HD1 PHE 84 0.340 -3.996 5.704 685 HD2 PHE 84 HD2 PHE 84 -2.402 -4.544 2.483 686 HE1 PHE 84 HE1 PHE 84 -1.059 -2.177 6.581 687 HE2 PHE 84 HE2 PHE 84 -3.799 -2.723 3.362 688 HZ PHE 84 HZ PHE 84 -3.129 -1.538 5.412 689 H TRP 85 HN TRP 85 1.256 -5.077 0.017 690 HA TRP 85 HA TRP 85 2.722 -7.596 -0.022 691 1HB TRP 85 HB2 TRP 85 2.475 -5.362 -2.027 692 2HB TRP 85 HB1 TRP 85 3.597 -6.705 -2.227 693 HD1 TRP 85 HD1 TRP 85 -0.206 -6.388 -1.459 694 HE1 TRP 85 HE1 TRP 85 -1.437 -8.170 -2.847 695 HE3 TRP 85 HE3 TRP 85 3.816 -8.544 -3.764 696 HZ2 TRP 85 HZ2 TRP 85 -0.790 -10.218 -4.678 697 HZ3 TRP 85 HZ3 TRP 85 3.423 -10.410 -5.319 698 HH2 TRP 85 HH2 TRP 85 1.167 -11.229 -5.765 699 H LEU 86 HN LEU 86 4.963 -7.746 -0.047 700 HA LEU 86 HA LEU 86 6.294 -5.567 1.375 701 1HB LEU 86 HB2 LEU 86 6.412 -7.747 2.408 702 2HB LEU 86 HB1 LEU 86 7.074 -8.445 0.942 703 HG LEU 86 HG LEU 86 8.974 -6.640 1.358 704 1HD1 LEU 86 1HD1 LEU 86 7.973 -7.215 4.143 705 2HD1 LEU 86 2HD1 LEU 86 7.835 -5.665 3.312 706 3HD1 LEU 86 3HD1 LEU 86 9.426 -6.315 3.709 707 1HD2 LEU 86 1HD2 LEU 86 9.218 -9.102 1.227 708 2HD2 LEU 86 2HD2 LEU 86 8.814 -9.201 2.941 709 3HD2 LEU 86 3HD2 LEU 86 10.276 -8.359 2.427 710 H VAL 87 HN VAL 87 8.020 -4.504 0.630 711 HA VAL 87 HA VAL 87 9.045 -5.151 -2.062 712 HB VAL 87 HB VAL 87 8.774 -2.409 -0.888 713 1HG1 VAL 87 1HG1 VAL 87 10.428 -2.131 -2.421 714 2HG1 VAL 87 2HG1 VAL 87 9.035 -1.957 -3.487 715 3HG1 VAL 87 3HG1 VAL 87 9.895 -3.492 -3.400 716 1HG2 VAL 87 1HG2 VAL 87 6.609 -2.505 -1.467 717 2HG2 VAL 87 2HG2 VAL 87 6.834 -4.111 -2.165 718 3HG2 VAL 87 3HG2 VAL 87 7.122 -2.674 -3.146 719 H GLU 88 HN GLU 88 11.279 -4.852 -2.395 720 HA GLU 88 HA GLU 88 12.684 -4.453 0.148 721 1HB GLU 88 HB2 GLU 88 13.006 -6.682 -0.699 722 2HB GLU 88 HB1 GLU 88 13.512 -6.062 -2.264 723 1HG GLU 88 HG2 GLU 88 15.454 -6.774 -1.104 724 2HG GLU 88 HG1 GLU 88 15.468 -5.011 -1.137 725 H ARG 89 HN ARG 89 12.562 -3.219 -3.137 726 HA ARG 89 HA ARG 89 14.236 -1.030 -2.352 727 1HB ARG 89 HB2 ARG 89 16.116 -2.287 -2.799 728 2HB ARG 89 HB1 ARG 89 15.323 -3.231 -4.047 729 1HG ARG 89 HG2 ARG 89 15.429 -1.298 -5.558 730 2HG ARG 89 HG1 ARG 89 16.268 -0.383 -4.303 731 1HD ARG 89 HD2 ARG 89 17.617 -2.858 -4.624 732 2HD ARG 89 HD1 ARG 89 17.350 -2.179 -6.229 733 HE ARG 89 HE ARG 89 19.223 -1.281 -4.324 734 1HH1 ARG 89 1HH1 ARG 89 16.944 -0.057 -6.666 735 2HH1 ARG 89 2HH1 ARG 89 17.825 1.408 -6.943 736 1HH2 ARG 89 1HH2 ARG 89 20.383 0.645 -4.687 737 2HH2 ARG 89 2HH2 ARG 89 19.777 1.806 -5.820 738 H TRP 90 HN TRP 90 14.551 0.554 -4.150 739 HA TRP 90 HA TRP 90 12.938 0.240 -6.483 740 1HB TRP 90 HB2 TRP 90 11.173 1.648 -6.058 741 2HB TRP 90 HB1 TRP 90 11.418 0.955 -4.465 742 HD1 TRP 90 HD1 TRP 90 12.501 4.151 -6.395 743 HE1 TRP 90 HE1 TRP 90 12.491 6.106 -4.722 744 HE3 TRP 90 HE3 TRP 90 11.300 1.571 -2.148 745 HZ2 TRP 90 HZ2 TRP 90 12.025 6.503 -1.971 746 HZ3 TRP 90 HZ3 TRP 90 11.082 2.820 -0.035 747 HH2 TRP 90 HH2 TRP 90 11.442 5.234 0.050 748 H GLU 91 HN GLU 91 13.929 1.197 -8.116 749 HA GLU 91 HA GLU 91 16.171 2.906 -7.641 750 1HB GLU 91 HB2 GLU 91 14.822 1.779 -10.058 751 2HB GLU 91 HB1 GLU 91 15.953 3.110 -10.260 752 1HG GLU 91 HG2 GLU 91 17.598 1.691 -8.928 753 2HG GLU 91 HG1 GLU 91 16.480 0.356 -9.202 754 H GLY 92 HN GLY 92 16.447 5.072 -8.198 755 1HA GLY 92 HA2 GLY 92 15.829 7.279 -8.315 756 2HA GLY 92 HA1 GLY 92 14.606 6.734 -9.454 757 H GLU 93 HN GLU 93 12.715 7.578 -8.907 758 HA GLU 93 HA GLU 93 11.914 7.462 -6.077 759 1HB GLU 93 HB2 GLU 93 11.012 9.605 -7.996 760 2HB GLU 93 HB1 GLU 93 10.814 9.566 -6.250 761 1HG GLU 93 HG2 GLU 93 13.116 9.975 -5.888 762 2HG GLU 93 HG1 GLU 93 13.499 9.699 -7.586 763 HA PRO 94 HA PRO 94 8.385 5.266 -7.623 764 1HB PRO 94 HB2 PRO 94 6.868 5.963 -5.257 765 2HB PRO 94 HB1 PRO 94 7.620 4.420 -5.664 766 1HG PRO 94 HG2 PRO 94 8.476 6.018 -3.627 767 2HG PRO 94 HG1 PRO 94 9.534 4.901 -4.507 768 1HD PRO 94 HD2 PRO 94 9.196 7.861 -4.848 769 2HD PRO 94 HD1 PRO 94 10.685 6.888 -4.848 770 H TRP 95 HN TRP 95 6.861 5.888 -9.035 771 HA TRP 95 HA TRP 95 5.353 8.320 -8.408 772 1HB TRP 95 HB2 TRP 95 5.401 8.896 -10.860 773 2HB TRP 95 HB1 TRP 95 6.922 9.094 -10.005 774 HD1 TRP 95 HD1 TRP 95 8.937 7.526 -10.721 775 HE1 TRP 95 HE1 TRP 95 9.379 6.114 -12.833 776 HE3 TRP 95 HE3 TRP 95 4.169 7.278 -12.529 777 HZ2 TRP 95 HZ2 TRP 95 7.895 5.063 -14.987 778 HZ3 TRP 95 HZ3 TRP 95 3.764 6.061 -14.626 779 HH2 TRP 95 HH2 TRP 95 5.588 4.965 -15.822 780 H GLY 96 HN GLY 96 5.487 5.682 -10.788 781 1HA GLY 96 HA2 GLY 96 3.772 4.527 -11.828 782 2HA GLY 96 HA1 GLY 96 3.176 4.370 -10.187 783 H LYS 97 HN LYS 97 1.428 5.541 -9.523 784 HA LYS 97 HA LYS 97 0.369 7.811 -10.755 785 1HB LYS 97 HB2 LYS 97 0.039 6.044 -12.592 786 2HB LYS 97 HB1 LYS 97 -1.197 5.364 -11.544 787 1HG LYS 97 HG2 LYS 97 -1.513 8.225 -11.910 788 2HG LYS 97 HG1 LYS 97 -1.553 7.337 -13.434 789 1HD LYS 97 HD2 LYS 97 -3.559 6.454 -12.981 790 2HD LYS 97 HD1 LYS 97 -3.096 6.041 -11.329 791 1HE LYS 97 HE2 LYS 97 -4.710 7.589 -10.887 792 2HE LYS 97 HE1 LYS 97 -3.312 8.657 -11.002 793 1HZ LYS 97 HZ1 LYS 97 -3.914 9.291 -13.176 794 2HZ LYS 97 HZ2 LYS 97 -5.338 9.371 -12.266 795 3HZ LYS 97 HZ3 LYS 97 -5.074 8.066 -13.310 796 H GLU 98 HN GLU 98 0.751 6.590 -8.138 797 HA GLU 98 HA GLU 98 -1.672 5.718 -7.007 798 1HB GLU 98 HB2 GLU 98 -0.584 6.595 -4.835 799 2HB GLU 98 HB1 GLU 98 0.218 5.297 -5.705 800 1HG GLU 98 HG2 GLU 98 2.056 6.501 -5.949 801 2HG GLU 98 HG1 GLU 98 1.152 7.848 -6.639 802 H GLY 99 HN GLY 99 -0.289 8.953 -7.411 803 1HA GLY 99 HA2 GLY 99 -1.526 10.917 -7.716 804 2HA GLY 99 HA1 GLY 99 -2.957 10.081 -7.142 805 H GLN 100 HN GLN 100 -0.249 9.682 -5.096 806 HA GLN 100 HA GLN 100 -0.973 12.014 -3.482 807 1HB GLN 100 HB2 GLN 100 -1.093 9.150 -2.552 808 2HB GLN 100 HB1 GLN 100 -0.951 10.498 -1.433 809 1HG GLN 100 HG2 GLN 100 -3.150 10.691 -1.453 810 2HG GLN 100 HG1 GLN 100 -3.064 11.147 -3.154 811 1HE2 GLN 100 1HE2 GLN 100 -4.748 10.131 -4.029 812 2HE2 GLN 100 2HE2 GLN 100 -5.042 8.431 -3.944 813 HA PRO 101 HA PRO 101 3.586 12.009 -3.957 814 1HB PRO 101 HB2 PRO 101 2.824 14.417 -2.340 815 2HB PRO 101 HB1 PRO 101 4.058 14.267 -3.598 816 1HG PRO 101 HG2 PRO 101 1.737 15.373 -4.180 817 2HG PRO 101 HG1 PRO 101 2.468 14.219 -5.313 818 1HD PRO 101 HD2 PRO 101 0.167 13.854 -3.458 819 2HD PRO 101 HD1 PRO 101 0.458 13.134 -5.054 820 H GLY 102 HN GLY 102 4.984 11.062 -2.593 821 1HA GLY 102 HA2 GLY 102 4.480 11.256 0.306 822 2HA GLY 102 HA1 GLY 102 4.783 9.694 -0.438 823 H GLU 103 HN GLU 103 6.414 10.181 1.516 824 HA GLU 103 HA GLU 103 8.947 10.894 0.210 825 1HB GLU 103 HB2 GLU 103 9.724 12.013 2.235 826 2HB GLU 103 HB1 GLU 103 8.267 12.787 1.626 827 1HG GLU 103 HG2 GLU 103 7.985 10.672 3.692 828 2HG GLU 103 HG1 GLU 103 8.586 12.256 4.180 829 H TRP 104 HN TRP 104 10.840 9.890 1.202 830 HA TRP 104 HA TRP 104 10.336 7.173 1.901 831 1HB TRP 104 HB2 TRP 104 13.024 8.392 2.391 832 2HB TRP 104 HB1 TRP 104 12.619 6.826 1.699 833 HD1 TRP 104 HD1 TRP 104 10.644 8.194 -0.593 834 HE1 TRP 104 HE1 TRP 104 11.798 9.251 -2.636 835 HE3 TRP 104 HE3 TRP 104 15.318 8.859 1.368 836 HZ2 TRP 104 HZ2 TRP 104 14.352 10.236 -3.326 837 HZ3 TRP 104 HZ3 TRP 104 17.060 9.865 -0.050 838 HH2 TRP 104 HH2 TRP 104 16.585 10.539 -2.348 839 H MET 105 HN MET 105 9.467 6.692 3.818 840 HA MET 105 HA MET 105 10.639 7.934 6.219 841 1HB MET 105 HB2 MET 105 8.481 7.687 7.325 842 2HB MET 105 HB1 MET 105 8.317 8.647 5.861 843 1HG MET 105 HG2 MET 105 7.118 7.038 4.769 844 2HG MET 105 HG1 MET 105 7.823 5.721 5.704 845 1HE MET 105 HE1 MET 105 6.710 8.900 7.447 846 2HE MET 105 HE2 MET 105 5.027 8.623 7.897 847 3HE MET 105 HE3 MET 105 5.447 8.955 6.216 848 H SER 106 HN SER 106 11.010 6.631 8.024 849 HA SER 106 HA SER 106 11.741 3.953 7.467 850 1HB SER 106 HB2 SER 106 12.993 5.052 9.151 851 2HB SER 106 HB1 SER 106 11.540 5.543 10.022 852 HG SER 106 HG SER 106 12.768 3.017 9.886 853 H LEU 107 HN LEU 107 10.382 2.308 7.210 854 HA LEU 107 HA LEU 107 7.677 2.387 8.092 855 1HB LEU 107 HB2 LEU 107 8.848 1.076 6.118 856 2HB LEU 107 HB1 LEU 107 8.988 -0.180 7.334 857 HG LEU 107 HG LEU 107 7.000 -0.493 5.941 858 1HD1 LEU 107 1HD1 LEU 107 5.732 -1.232 7.654 859 2HD1 LEU 107 2HD1 LEU 107 5.787 0.312 8.505 860 3HD1 LEU 107 3HD1 LEU 107 7.155 -0.797 8.601 861 1HD2 LEU 107 1HD2 LEU 107 5.966 2.079 7.116 862 2HD2 LEU 107 2HD2 LEU 107 5.196 1.059 5.900 863 3HD2 LEU 107 3HD2 LEU 107 6.663 1.954 5.500 864 H VAL 108 HN VAL 108 10.635 1.115 9.410 865 HA VAL 108 HA VAL 108 9.711 -0.782 11.200 866 HB VAL 108 HB VAL 108 11.905 1.200 11.810 867 1HG1 VAL 108 1HG1 VAL 108 12.859 -0.736 13.048 868 2HG1 VAL 108 2HG1 VAL 108 11.363 -1.616 12.736 869 3HG1 VAL 108 3HG1 VAL 108 11.335 -0.146 13.710 870 1HG2 VAL 108 1HG2 VAL 108 13.351 -0.688 10.809 871 2HG2 VAL 108 2HG2 VAL 108 12.525 0.416 9.709 872 3HG2 VAL 108 3HG2 VAL 108 11.864 -1.192 10.006 873 H GLY 109 HN GLY 109 9.314 2.655 11.258 874 1HA GLY 109 HA2 GLY 109 8.062 2.429 13.923 875 2HA GLY 109 HA1 GLY 109 8.966 3.849 13.420 876 H LEU 110 HN LEU 110 6.611 1.944 11.578 877 HA LEU 110 HA LEU 110 5.288 4.210 10.556 878 1HB LEU 110 HB2 LEU 110 5.262 1.940 9.533 879 2HB LEU 110 HB1 LEU 110 4.208 1.403 10.827 880 HG LEU 110 HG LEU 110 3.360 3.730 9.160 881 1HD1 LEU 110 1HD1 LEU 110 3.355 0.849 8.309 882 2HD1 LEU 110 2HD1 LEU 110 3.940 2.258 7.423 883 3HD1 LEU 110 3HD1 LEU 110 2.209 2.027 7.669 884 1HD2 LEU 110 1HD2 LEU 110 2.189 1.817 11.041 885 2HD2 LEU 110 2HD2 LEU 110 1.217 2.100 9.596 886 3HD2 LEU 110 3HD2 LEU 110 1.685 3.454 10.621 887 H ASN 111 HN ASN 111 3.211 5.078 11.053 888 HA ASN 111 HA ASN 111 2.378 4.539 13.817 889 1HB ASN 111 HB2 ASN 111 3.128 6.979 12.548 890 2HB ASN 111 HB1 ASN 111 1.434 7.084 13.012 891 1HD2 ASN 111 1HD2 ASN 111 4.229 8.060 14.018 892 2HD2 ASN 111 2HD2 ASN 111 4.089 7.867 15.730 893 H ALA 112 HN ALA 112 0.424 3.877 14.212 894 HA ALA 112 HA ALA 112 -1.431 3.394 12.103 895 1HB ALA 112 HB1 ALA 112 -1.101 2.005 14.220 896 2HB ALA 112 HB2 ALA 112 -2.763 2.297 13.702 897 3HB ALA 112 HB3 ALA 112 -2.077 3.227 15.035 898 H ASP 113 HN ASP 113 -0.766 6.077 14.091 899 HA ASP 113 HA ASP 113 -3.423 7.156 14.193 900 1HB ASP 113 HB2 ASP 113 -1.621 7.633 15.881 901 2HB ASP 113 HB1 ASP 113 -0.817 8.612 14.658 902 H ASP 114 HN ASP 114 -0.478 7.978 12.340 903 HA ASP 114 HA ASP 114 -1.706 10.057 10.863 904 1HB ASP 114 HB2 ASP 114 0.386 8.997 9.284 905 2HB ASP 114 HB1 ASP 114 0.413 10.438 10.284 906 H PHE 115 HN PHE 115 -1.273 6.621 10.264 907 HA PHE 115 HA PHE 115 -2.398 6.750 7.619 908 1HB PHE 115 HB2 PHE 115 -1.589 4.642 7.416 909 2HB PHE 115 HB1 PHE 115 -0.774 4.964 8.945 910 HD1 PHE 115 HD1 PHE 115 -2.780 4.749 10.909 911 HD2 PHE 115 HD2 PHE 115 -2.305 2.467 7.368 912 HE1 PHE 115 HE1 PHE 115 -3.965 2.879 11.976 913 HE2 PHE 115 HE2 PHE 115 -3.490 0.586 8.417 914 HZ PHE 115 HZ PHE 115 -4.319 0.799 10.724 915 HA PRO 116 HA PRO 116 -6.690 6.133 8.469 916 1HB PRO 116 HB2 PRO 116 -7.417 3.842 7.167 917 2HB PRO 116 HB1 PRO 116 -7.128 5.382 6.351 918 1HG PRO 116 HG2 PRO 116 -5.313 3.023 6.646 919 2HG PRO 116 HG1 PRO 116 -5.596 4.048 5.227 920 1HD PRO 116 HD2 PRO 116 -3.420 4.332 6.791 921 2HD PRO 116 HD1 PRO 116 -4.195 5.717 5.998 922 HA PRO 117 HA PRO 117 -6.611 3.494 12.102 923 1HB PRO 117 HB2 PRO 117 -9.124 4.089 12.980 924 2HB PRO 117 HB1 PRO 117 -7.728 5.143 13.229 925 1HG PRO 117 HG2 PRO 117 -9.874 5.301 11.148 926 2HG PRO 117 HG1 PRO 117 -9.147 6.604 12.106 927 1HD PRO 117 HD2 PRO 117 -8.425 6.137 9.553 928 2HD PRO 117 HD1 PRO 117 -7.263 6.707 10.769 929 H ALA 118 HN ALA 118 -8.944 3.343 9.529 930 HA ALA 118 HA ALA 118 -10.366 1.065 10.454 931 1HB ALA 118 HB1 ALA 118 -10.226 2.608 7.935 932 2HB ALA 118 HB2 ALA 118 -11.624 2.130 8.898 933 3HB ALA 118 HB3 ALA 118 -10.842 0.958 7.839 934 H ASN 119 HN ASN 119 -7.237 1.377 9.307 935 HA ASN 119 HA ASN 119 -7.171 -1.448 8.472 936 1HB ASN 119 HB2 ASN 119 -6.091 0.987 7.291 937 2HB ASN 119 HB1 ASN 119 -4.862 -0.259 7.482 938 1HD2 ASN 119 1HD2 ASN 119 -8.309 -0.240 6.634 939 2HD2 ASN 119 2HD2 ASN 119 -8.134 -1.163 5.185 940 H GLU 120 HN GLU 120 -6.962 -0.506 11.200 941 HA GLU 120 HA GLU 120 -4.209 -0.462 11.968 942 1HB GLU 120 HB2 GLU 120 -6.713 0.031 13.217 943 2HB GLU 120 HB1 GLU 120 -5.851 -1.156 14.185 944 1HG GLU 120 HG2 GLU 120 -3.855 0.505 13.898 945 2HG GLU 120 HG1 GLU 120 -5.139 1.665 13.563 946 HA PRO 121 HA PRO 121 -5.543 -5.035 13.534 947 1HB PRO 121 HB2 PRO 121 -6.739 -5.600 10.848 948 2HB PRO 121 HB1 PRO 121 -7.121 -6.315 12.419 949 1HG PRO 121 HG2 PRO 121 -8.702 -4.454 11.363 950 2HG PRO 121 HG1 PRO 121 -8.364 -4.478 13.103 951 1HD PRO 121 HD2 PRO 121 -7.352 -2.636 11.003 952 2HD PRO 121 HD1 PRO 121 -7.638 -2.335 12.728 953 H VAL 122 HN VAL 122 -4.657 -3.974 10.294 954 HA VAL 122 HA VAL 122 -2.853 -6.157 9.821 955 HB VAL 122 HB VAL 122 -3.071 -3.518 8.360 956 1HG1 VAL 122 1HG1 VAL 122 -2.153 -5.136 6.497 957 2HG1 VAL 122 2HG1 VAL 122 -1.523 -6.017 7.889 958 3HG1 VAL 122 3HG1 VAL 122 -1.061 -4.335 7.627 959 1HG2 VAL 122 1HG2 VAL 122 -4.142 -5.913 7.078 960 2HG2 VAL 122 2HG2 VAL 122 -4.824 -4.292 7.204 961 3HG2 VAL 122 3HG2 VAL 122 -5.014 -5.435 8.534 962 H ILE 123 HN ILE 123 -2.497 -2.682 10.475 963 HA ILE 123 HA ILE 123 0.322 -2.726 10.652 964 HB ILE 123 HB ILE 123 -1.582 -0.755 11.921 965 1HG1 ILE 123 2HG1 ILE 123 -1.757 -1.112 9.395 966 2HG1 ILE 123 1HG1 ILE 123 -1.452 0.532 9.946 967 1HG2 ILE 123 1HG2 ILE 123 0.327 -0.073 12.893 968 2HG2 ILE 123 2HG2 ILE 123 0.667 0.625 11.309 969 3HG2 ILE 123 3HG2 ILE 123 1.341 -0.945 11.742 970 1HD1 ILE 123 1HD1 ILE 123 -0.064 0.127 8.070 971 2HD1 ILE 123 2HD1 ILE 123 0.526 -1.388 8.757 972 3HD1 ILE 123 3HD1 ILE 123 0.967 0.151 9.500 973 H ALA 124 HN ALA 124 -2.223 -3.361 12.968 974 HA ALA 124 HA ALA 124 -0.838 -3.046 15.354 975 1HB ALA 124 HB1 ALA 124 -3.158 -3.463 15.481 976 2HB ALA 124 HB2 ALA 124 -2.383 -4.869 16.212 977 3HB ALA 124 HB3 ALA 124 -3.018 -4.966 14.570 978 H LYS 125 HN LYS 125 -0.581 -5.493 12.907 979 HA LYS 125 HA LYS 125 0.872 -7.357 14.564 980 1HB LYS 125 HB2 LYS 125 -0.582 -7.780 12.411 981 2HB LYS 125 HB1 LYS 125 0.934 -7.466 11.578 982 1HG LYS 125 HG2 LYS 125 1.917 -9.375 12.348 983 2HG LYS 125 HG1 LYS 125 0.942 -9.416 13.818 984 1HD LYS 125 HD2 LYS 125 -0.300 -9.846 11.122 985 2HD LYS 125 HD1 LYS 125 0.482 -11.171 11.986 986 1HE LYS 125 HE2 LYS 125 -1.413 -9.567 13.568 987 2HE LYS 125 HE1 LYS 125 -2.126 -10.505 12.257 988 1HZ LYS 125 HZ1 LYS 125 -2.160 -11.996 13.980 989 2HZ LYS 125 HZ2 LYS 125 -0.710 -11.446 14.654 990 3HZ LYS 125 HZ3 LYS 125 -0.684 -12.397 13.257 991 H LEU 126 HN LEU 126 1.752 -5.238 11.827 992 HA LEU 126 HA LEU 126 4.553 -5.797 12.117 993 1HB LEU 126 HB2 LEU 126 3.255 -5.140 9.987 994 2HB LEU 126 HB1 LEU 126 3.408 -3.495 10.571 995 HG LEU 126 HG LEU 126 5.822 -3.625 10.473 996 1HD1 LEU 126 1HD1 LEU 126 5.272 -6.500 10.179 997 2HD1 LEU 126 2HD1 LEU 126 6.642 -5.671 10.919 998 3HD1 LEU 126 3HD1 LEU 126 6.569 -5.864 9.167 999 1HD2 LEU 126 1HD2 LEU 126 5.392 -4.773 7.849 1000 2HD2 LEU 126 2HD2 LEU 126 5.808 -3.122 8.305 1001 3HD2 LEU 126 3HD2 LEU 126 4.120 -3.631 8.284 1002 H LYS 127 HN LYS 127 2.382 -3.237 13.111 1003 HA LYS 127 HA LYS 127 4.141 -1.217 13.782 1004 1HB LYS 127 HB2 LYS 127 1.692 -1.072 13.859 1005 2HB LYS 127 HB1 LYS 127 1.679 -2.053 15.310 1006 1HG LYS 127 HG2 LYS 127 2.618 -0.378 16.605 1007 2HG LYS 127 HG1 LYS 127 3.232 0.499 15.203 1008 1HD LYS 127 HD2 LYS 127 1.147 1.379 14.681 1009 2HD LYS 127 HD1 LYS 127 0.286 0.126 15.576 1010 1HE LYS 127 HE2 LYS 127 0.216 2.323 16.698 1011 2HE LYS 127 HE1 LYS 127 0.993 1.080 17.677 1012 1HZ LYS 127 HZ1 LYS 127 3.151 1.947 16.948 1013 2HZ LYS 127 HZ2 LYS 127 2.248 3.116 17.773 1014 3HZ LYS 127 HZ3 LYS 127 2.370 3.177 16.087 1015 H ARG 128 HN ARG 128 3.160 -4.034 15.673 1016 HA ARG 128 HA ARG 128 4.704 -3.326 17.970 1017 1HB ARG 128 HB2 ARG 128 2.679 -4.832 17.967 1018 2HB ARG 128 HB1 ARG 128 3.677 -6.063 17.208 1019 1HG ARG 128 HG2 ARG 128 5.207 -5.443 19.343 1020 2HG ARG 128 HG1 ARG 128 3.597 -5.141 19.997 1021 1HD ARG 128 HD2 ARG 128 4.050 -7.650 18.467 1022 2HD ARG 128 HD1 ARG 128 4.716 -7.536 20.096 1023 HE ARG 128 HE ARG 128 2.016 -7.977 19.421 1024 1HH1 ARG 128 1HH1 ARG 128 3.980 -6.179 21.677 1025 2HH1 ARG 128 2HH1 ARG 128 2.763 -6.153 22.908 1026 1HH2 ARG 128 1HH2 ARG 128 0.415 -7.944 21.040 1027 2HH2 ARG 128 2HH2 ARG 128 0.739 -7.155 22.547 1028 H LEU 129 HN LEU 129 5.578 -4.273 14.932 1029 HA LEU 129 HA LEU 129 7.471 -5.110 13.985 1030 1HB LEU 129 HB2 LEU 129 8.662 -4.354 16.652 1031 2HB LEU 129 HB1 LEU 129 9.576 -4.712 15.200 1032 HG LEU 129 HG LEU 129 7.958 -2.726 14.294 1033 1HD1 LEU 129 1HD1 LEU 129 7.305 -2.605 16.865 1034 2HD1 LEU 129 2HD1 LEU 129 7.424 -1.166 15.853 1035 3HD1 LEU 129 3HD1 LEU 129 8.758 -1.608 16.918 1036 1HD2 LEU 129 1HD2 LEU 129 10.345 -2.834 13.948 1037 2HD2 LEU 129 2HD2 LEU 129 10.640 -2.463 15.646 1038 3HD2 LEU 129 3HD2 LEU 129 9.916 -1.249 14.591 1039 1HO1 MO2 130 1HO1 MO2 130 -3.826 4.251 -8.101 1040 2HO1 MO2 130 2HO1 MO2 130 -5.980 3.127 -11.128 1041 1HO2 MO2 130 1HO2 MO2 130 -2.950 3.242 -7.394 1042 2HO2 MO2 130 2HO2 MO2 130 -6.170 3.557 -9.691 1043 1H5* 8OG 131 1H5* 8OG 131 -12.060 2.632 -3.373 1044 2H5* 8OG 131 2H5* 8OG 131 -11.884 3.124 -1.716 1045 H4* 8OG 131 1H4* 8OG 131 -10.021 1.392 -3.325 1046 H3* 8OG 131 1H3* 8OG 131 -12.266 0.677 -1.754 1047 1H2* 8OG 131 1H2* 8OG 131 -11.366 -0.064 0.155 1048 2H2* 8OG 131 2H2* 8OG 131 -10.264 -1.086 -0.739 1049 H1* 8OG 131 1H1* 8OG 131 -8.568 0.276 -0.339 1050 H1 8OG 131 H1 8OG 131 -5.947 1.256 4.914 1051 H7 8OG 131 H7 8OG 131 -10.637 2.510 3.769 1052 1H2 8OG 131 H21 8OG 131 -4.617 -0.090 1.971 1053 2H2 8OG 131 H22 8OG 131 -4.336 0.316 3.631 1054 H3T 8OG 131 *HO1 8OG 131 -11.640 -0.284 -3.776 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -25.106 -6.721 -4.400 2 2H MET 1 HT2 MET 1 -24.625 -6.085 -2.880 3 3H MET 1 HT3 MET 1 -25.527 -7.544 -2.957 4 HA MET 1 HA MET 1 -23.281 -8.039 -2.505 5 1HB MET 1 HB2 MET 1 -24.822 -9.269 -4.266 6 2HB MET 1 HB1 MET 1 -23.602 -8.709 -5.402 7 1HG MET 1 HG2 MET 1 -21.910 -9.962 -4.375 8 2HG MET 1 HG1 MET 1 -22.876 -10.234 -2.925 9 1HE MET 1 HE1 MET 1 -25.552 -11.048 -3.672 10 2HE MET 1 HE2 MET 1 -24.700 -12.255 -2.710 11 3HE MET 1 HE3 MET 1 -25.576 -12.742 -4.161 12 H LYS 2 HN LYS 2 -22.158 -5.966 -2.329 13 HA LYS 2 HA LYS 2 -20.689 -5.219 -4.765 14 1HB LYS 2 HB2 LYS 2 -22.091 -3.544 -3.290 15 2HB LYS 2 HB1 LYS 2 -20.649 -3.553 -2.283 16 1HG LYS 2 HG2 LYS 2 -20.093 -1.825 -3.621 17 2HG LYS 2 HG1 LYS 2 -19.493 -3.129 -4.647 18 1HD LYS 2 HD2 LYS 2 -20.755 -1.747 -6.076 19 2HD LYS 2 HD1 LYS 2 -21.797 -3.129 -5.727 20 1HE LYS 2 HE2 LYS 2 -22.049 -0.873 -3.860 21 2HE LYS 2 HE1 LYS 2 -22.556 -0.531 -5.514 22 1HZ LYS 2 HZ1 LYS 2 -23.701 -2.389 -3.564 23 2HZ LYS 2 HZ2 LYS 2 -23.789 -2.809 -5.200 24 3HZ LYS 2 HZ3 LYS 2 -24.478 -1.362 -4.661 25 H LYS 3 HN LYS 3 -18.583 -5.632 -4.911 26 HA LYS 3 HA LYS 3 -17.015 -6.023 -2.469 27 1HB LYS 3 HB2 LYS 3 -15.910 -8.010 -3.642 28 2HB LYS 3 HB1 LYS 3 -17.513 -8.268 -2.966 29 1HG LYS 3 HG2 LYS 3 -18.419 -8.686 -4.966 30 2HG LYS 3 HG1 LYS 3 -17.531 -7.379 -5.751 31 1HD LYS 3 HD2 LYS 3 -15.891 -9.674 -4.922 32 2HD LYS 3 HD1 LYS 3 -17.082 -10.024 -6.178 33 1HE LYS 3 HE2 LYS 3 -16.130 -8.532 -7.675 34 2HE LYS 3 HE1 LYS 3 -15.325 -7.614 -6.402 35 1HZ LYS 3 HZ1 LYS 3 -13.983 -9.229 -7.915 36 2HZ LYS 3 HZ2 LYS 3 -14.548 -10.410 -6.844 37 3HZ LYS 3 HZ3 LYS 3 -13.625 -9.118 -6.265 38 H LEU 4 HN LEU 4 -15.163 -4.951 -2.551 39 HA LEU 4 HA LEU 4 -13.973 -4.366 -5.176 40 1HB LEU 4 HB2 LEU 4 -13.463 -2.118 -4.497 41 2HB LEU 4 HB1 LEU 4 -15.186 -2.394 -4.318 42 HG LEU 4 HG LEU 4 -13.926 -3.009 -1.831 43 1HD1 LEU 4 1HD1 LEU 4 -12.218 -1.384 -2.972 44 2HD1 LEU 4 2HD1 LEU 4 -12.672 -1.173 -1.280 45 3HD1 LEU 4 3HD1 LEU 4 -13.407 -0.159 -2.523 46 1HD2 LEU 4 1HD2 LEU 4 -15.727 -0.741 -2.677 47 2HD2 LEU 4 2HD2 LEU 4 -15.408 -1.239 -1.016 48 3HD2 LEU 4 3HD2 LEU 4 -16.247 -2.331 -2.118 49 H GLN 5 HN GLN 5 -11.798 -4.604 -5.300 50 HA GLN 5 HA GLN 5 -10.449 -5.561 -2.887 51 1HB GLN 5 HB2 GLN 5 -9.485 -5.827 -5.726 52 2HB GLN 5 HB1 GLN 5 -8.914 -6.700 -4.313 53 1HG GLN 5 HG2 GLN 5 -11.222 -7.674 -4.126 54 2HG GLN 5 HG1 GLN 5 -11.554 -6.969 -5.701 55 1HE2 GLN 5 1HE2 GLN 5 -9.788 -9.394 -3.960 56 2HE2 GLN 5 2HE2 GLN 5 -9.292 -10.316 -5.333 57 H ILE 6 HN ILE 6 -8.335 -4.945 -2.402 58 HA ILE 6 HA ILE 6 -7.199 -2.612 -3.718 59 HB ILE 6 HB ILE 6 -6.859 -2.084 -0.965 60 1HG1 ILE 6 2HG1 ILE 6 -8.969 -3.548 -0.770 61 2HG1 ILE 6 1HG1 ILE 6 -8.994 -1.970 0.004 62 1HG2 ILE 6 1HG2 ILE 6 -7.923 0.012 -1.495 63 2HG2 ILE 6 2HG2 ILE 6 -8.633 -0.683 -2.952 64 3HG2 ILE 6 3HG2 ILE 6 -6.885 -0.483 -2.832 65 1HD1 ILE 6 1HD1 ILE 6 -10.719 -1.304 -1.219 66 2HD1 ILE 6 2HD1 ILE 6 -10.890 -2.990 -1.711 67 3HD1 ILE 6 3HD1 ILE 6 -9.978 -1.865 -2.717 68 H ALA 7 HN ALA 7 -5.056 -2.936 -3.961 69 HA ALA 7 HA ALA 7 -3.724 -4.714 -2.008 70 1HB ALA 7 HB1 ALA 7 -3.729 -4.817 -4.966 71 2HB ALA 7 HB2 ALA 7 -3.637 -6.123 -3.787 72 3HB ALA 7 HB3 ALA 7 -2.208 -5.158 -4.151 73 H VAL 8 HN VAL 8 -2.046 -3.801 -0.999 74 HA VAL 8 HA VAL 8 -0.822 -1.457 -2.284 75 HB VAL 8 HB VAL 8 -0.931 -0.257 -0.416 76 1HG1 VAL 8 1HG1 VAL 8 -2.640 -0.906 1.238 77 2HG1 VAL 8 2HG1 VAL 8 -2.694 -2.515 0.519 78 3HG1 VAL 8 3HG1 VAL 8 -3.187 -1.110 -0.426 79 1HG2 VAL 8 1HG2 VAL 8 -0.341 -1.134 1.844 80 2HG2 VAL 8 2HG2 VAL 8 0.918 -1.371 0.630 81 3HG2 VAL 8 3HG2 VAL 8 -0.108 -2.723 1.114 82 H GLY 9 HN GLY 9 1.396 -1.000 -1.691 83 1HA GLY 9 HA2 GLY 9 2.987 -3.309 -0.871 84 2HA GLY 9 HA1 GLY 9 3.280 -2.643 -2.468 85 H ILE 10 HN ILE 10 4.144 -2.478 0.748 86 HA ILE 10 HA ILE 10 4.790 0.299 0.920 87 HB ILE 10 HB ILE 10 6.534 -1.154 2.634 88 1HG1 ILE 10 2HG1 ILE 10 3.689 -2.182 2.696 89 2HG1 ILE 10 1HG1 ILE 10 5.128 -3.126 2.323 90 1HG2 ILE 10 1HG2 ILE 10 5.450 0.042 4.342 91 2HG2 ILE 10 2HG2 ILE 10 3.953 0.160 3.417 92 3HG2 ILE 10 3HG2 ILE 10 5.374 1.078 2.917 93 1HD1 ILE 10 1HD1 ILE 10 4.283 -3.488 4.605 94 2HD1 ILE 10 2HD1 ILE 10 4.596 -1.790 4.964 95 3HD1 ILE 10 3HD1 ILE 10 5.934 -2.870 4.572 96 H ILE 11 HN ILE 11 6.101 1.098 -0.618 97 HA ILE 11 HA ILE 11 8.241 -0.373 -1.774 98 HB ILE 11 HB ILE 11 8.193 2.601 -1.941 99 1HG1 ILE 11 2HG1 ILE 11 6.122 0.723 -3.055 100 2HG1 ILE 11 1HG1 ILE 11 5.884 2.266 -2.242 101 1HG2 ILE 11 1HG2 ILE 11 9.726 0.735 -3.114 102 2HG2 ILE 11 2HG2 ILE 11 9.341 2.284 -3.865 103 3HG2 ILE 11 3HG2 ILE 11 8.426 0.842 -4.301 104 1HD1 ILE 11 1HD1 ILE 11 5.391 2.432 -4.611 105 2HD1 ILE 11 2HD1 ILE 11 7.023 1.879 -4.997 106 3HD1 ILE 11 3HD1 ILE 11 6.785 3.427 -4.188 107 H ARG 12 HN ARG 12 10.167 -0.733 -1.013 108 HA ARG 12 HA ARG 12 11.149 0.763 1.279 109 1HB ARG 12 HB2 ARG 12 11.560 -1.902 0.174 110 2HB ARG 12 HB1 ARG 12 13.066 -1.134 0.652 111 1HG ARG 12 HG2 ARG 12 11.124 -0.711 2.691 112 2HG ARG 12 HG1 ARG 12 11.169 -2.424 2.280 113 1HD ARG 12 HD2 ARG 12 13.796 -1.940 2.373 114 2HD ARG 12 HD1 ARG 12 13.245 -0.705 3.504 115 HE ARG 12 HE ARG 12 11.973 -2.911 4.379 116 1HH1 ARG 12 1HH1 ARG 12 15.315 -2.279 3.597 117 2HH1 ARG 12 2HH1 ARG 12 15.929 -3.422 4.744 118 1HH2 ARG 12 1HH2 ARG 12 12.779 -4.413 5.888 119 2HH2 ARG 12 2HH2 ARG 12 14.489 -4.633 6.045 120 H ASN 13 HN ASN 13 12.763 2.144 1.271 121 HA ASN 13 HA ASN 13 13.951 2.909 -1.274 122 1HB ASN 13 HB2 ASN 13 15.016 4.727 0.283 123 2HB ASN 13 HB1 ASN 13 13.321 4.834 -0.150 124 1HD2 ASN 13 1HD2 ASN 13 12.088 5.384 1.469 125 2HD2 ASN 13 2HD2 ASN 13 12.321 4.952 3.124 126 H GLU 14 HN GLU 14 16.331 3.910 -0.698 127 HA GLU 14 HA GLU 14 17.987 1.582 -0.456 128 1HB GLU 14 HB2 GLU 14 18.444 3.293 -2.120 129 2HB GLU 14 HB1 GLU 14 18.636 4.503 -0.856 130 1HG GLU 14 HG2 GLU 14 20.724 3.809 -0.323 131 2HG GLU 14 HG1 GLU 14 20.382 2.121 -0.698 132 H ASN 15 HN ASN 15 16.593 3.177 1.982 133 HA ASN 15 HA ASN 15 18.957 2.859 3.703 134 1HB ASN 15 HB2 ASN 15 18.509 5.272 3.243 135 2HB ASN 15 HB1 ASN 15 16.929 5.081 3.995 136 1HD2 ASN 15 1HD2 ASN 15 20.197 3.970 4.820 137 2HD2 ASN 15 2HD2 ASN 15 20.199 4.624 6.419 138 H ASN 16 HN ASN 16 17.174 0.830 3.417 139 HA ASN 16 HA ASN 16 15.644 -0.511 4.466 140 1HB ASN 16 HB2 ASN 16 16.110 -0.892 6.816 141 2HB ASN 16 HB1 ASN 16 17.624 -0.643 5.954 142 1HD2 ASN 16 1HD2 ASN 16 18.990 0.808 6.725 143 2HD2 ASN 16 2HD2 ASN 16 18.624 2.000 7.920 144 H GLU 17 HN GLU 17 14.772 2.264 3.922 145 HA GLU 17 HA GLU 17 12.644 2.450 5.943 146 1HB GLU 17 HB2 GLU 17 14.005 4.631 4.363 147 2HB GLU 17 HB1 GLU 17 12.478 4.878 5.185 148 1HG GLU 17 HG2 GLU 17 13.857 3.908 7.229 149 2HG GLU 17 HG1 GLU 17 15.201 4.551 6.289 150 H ILE 18 HN ILE 18 10.548 3.252 5.047 151 HA ILE 18 HA ILE 18 10.219 2.293 2.284 152 HB ILE 18 HB ILE 18 9.070 1.322 4.644 153 1HG1 ILE 18 2HG1 ILE 18 7.694 0.459 2.237 154 2HG1 ILE 18 1HG1 ILE 18 9.437 0.526 2.015 155 1HG2 ILE 18 1HG2 ILE 18 6.905 2.490 2.915 156 2HG2 ILE 18 2HG2 ILE 18 7.432 3.192 4.445 157 3HG2 ILE 18 3HG2 ILE 18 6.714 1.584 4.416 158 1HD1 ILE 18 1HD1 ILE 18 8.922 -1.657 2.731 159 2HD1 ILE 18 2HD1 ILE 18 7.904 -1.062 4.042 160 3HD1 ILE 18 3HD1 ILE 18 9.652 -0.836 4.110 161 H PHE 19 HN PHE 19 9.146 3.512 0.852 162 HA PHE 19 HA PHE 19 8.478 6.225 1.609 163 1HB PHE 19 HB2 PHE 19 9.567 6.354 -0.389 164 2HB PHE 19 HB1 PHE 19 9.046 4.757 -0.899 165 HD1 PHE 19 HD1 PHE 19 6.919 4.454 -2.054 166 HD2 PHE 19 HD2 PHE 19 8.304 8.320 -0.934 167 HE1 PHE 19 HE1 PHE 19 5.301 5.478 -3.602 168 HE2 PHE 19 HE2 PHE 19 6.687 9.349 -2.477 169 HZ PHE 19 HZ PHE 19 5.183 7.929 -3.812 170 H ILE 20 HN ILE 20 6.533 6.591 2.457 171 HA ILE 20 HA ILE 20 4.204 5.264 1.248 172 HB ILE 20 HB ILE 20 3.399 6.194 3.741 173 1HG1 ILE 20 2HG1 ILE 20 5.998 4.693 4.080 174 2HG1 ILE 20 1HG1 ILE 20 5.833 6.432 4.306 175 1HG2 ILE 20 1HG2 ILE 20 2.436 4.233 3.114 176 2HG2 ILE 20 2HG2 ILE 20 3.633 3.610 4.250 177 3HG2 ILE 20 3HG2 ILE 20 3.949 3.554 2.516 178 1HD1 ILE 20 1HD1 ILE 20 5.412 5.972 6.433 179 2HD1 ILE 20 2HD1 ILE 20 5.184 4.256 6.097 180 3HD1 ILE 20 3HD1 ILE 20 3.841 5.380 5.894 181 H THR 21 HN THR 21 2.475 6.550 0.684 182 HA THR 21 HA THR 21 3.004 9.333 0.320 183 HB THR 21 HB THR 21 0.938 9.427 -0.846 184 HG1 THR 21 HG1 THR 21 0.220 6.904 0.204 185 1HG2 THR 21 1HG2 THR 21 2.016 6.647 -1.240 186 2HG2 THR 21 2HG2 THR 21 2.591 8.108 -2.043 187 3HG2 THR 21 3HG2 THR 21 0.957 7.518 -2.349 188 H ARG 22 HN ARG 22 2.892 10.756 1.926 189 HA ARG 22 HA ARG 22 1.061 10.318 4.148 190 1HB ARG 22 HB2 ARG 22 3.524 11.110 4.322 191 2HB ARG 22 HB1 ARG 22 2.892 12.684 3.860 192 1HG ARG 22 HG2 ARG 22 1.403 11.426 6.031 193 2HG ARG 22 HG1 ARG 22 3.098 11.732 6.414 194 1HD ARG 22 HD2 ARG 22 2.875 14.045 5.997 195 2HD ARG 22 HD1 ARG 22 1.313 13.828 5.208 196 HE ARG 22 HE ARG 22 0.308 13.830 7.267 197 1HH1 ARG 22 1HH1 ARG 22 3.749 13.424 7.684 198 2HH1 ARG 22 2HH1 ARG 22 3.689 13.613 9.403 199 1HH2 ARG 22 1HH2 ARG 22 0.228 14.080 9.530 200 2HH2 ARG 22 2HH2 ARG 22 1.690 13.985 10.452 201 H ARG 23 HN ARG 23 -0.905 10.669 3.010 202 HA ARG 23 HA ARG 23 -2.612 11.874 2.076 203 1HB ARG 23 HB2 ARG 23 -1.578 13.395 4.399 204 2HB ARG 23 HB1 ARG 23 -2.710 14.240 3.352 205 1HG ARG 23 HG2 ARG 23 -3.452 11.506 4.197 206 2HG ARG 23 HG1 ARG 23 -3.482 12.768 5.428 207 1HD ARG 23 HD2 ARG 23 -5.656 12.679 4.474 208 2HD ARG 23 HD1 ARG 23 -4.879 14.133 3.850 209 HE ARG 23 HE ARG 23 -4.599 11.826 2.150 210 1HH1 ARG 23 1HH1 ARG 23 -6.596 14.571 2.961 211 2HH1 ARG 23 2HH1 ARG 23 -7.368 14.626 1.413 212 1HH2 ARG 23 1HH2 ARG 23 -5.613 11.897 0.112 213 2HH2 ARG 23 2HH2 ARG 23 -6.810 13.108 -0.205 214 H ALA 24 HN ALA 24 -0.485 11.996 0.386 215 HA ALA 24 HA ALA 24 0.279 13.123 -1.437 216 1HB ALA 24 HB1 ALA 24 -1.045 15.451 -1.751 217 2HB ALA 24 HB2 ALA 24 -2.182 14.577 -0.724 218 3HB ALA 24 HB3 ALA 24 -1.674 13.886 -2.266 219 H ALA 25 HN ALA 25 -0.631 15.976 0.467 220 HA ALA 25 HA ALA 25 2.233 16.658 0.641 221 1HB ALA 25 HB1 ALA 25 -0.115 18.260 -0.161 222 2HB ALA 25 HB2 ALA 25 1.565 18.361 -0.689 223 3HB ALA 25 HB3 ALA 25 1.081 19.071 0.851 224 H ASP 26 HN ASP 26 -0.592 18.178 2.147 225 HA ASP 26 HA ASP 26 -0.312 17.051 4.698 226 1HB ASP 26 HB2 ASP 26 0.766 18.899 5.911 227 2HB ASP 26 HB1 ASP 26 1.858 18.186 4.728 228 H ALA 27 HN ALA 27 -2.386 17.828 2.927 229 HA ALA 27 HA ALA 27 -3.618 20.232 3.904 230 1HB ALA 27 HB1 ALA 27 -5.271 18.239 2.483 231 2HB ALA 27 HB2 ALA 27 -3.875 18.866 1.607 232 3HB ALA 27 HB3 ALA 27 -5.103 19.975 2.217 233 H HIS 28 HN HIS 28 -6.288 19.469 4.163 234 HA HIS 28 HA HIS 28 -6.513 18.898 6.862 235 1HB HIS 28 HB2 HIS 28 -8.380 18.905 4.555 236 2HB HIS 28 HB1 HIS 28 -8.918 18.051 5.998 237 HD1 HIS 28 HD1 HIS 28 -6.808 20.873 6.875 238 HD2 HIS 28 HD2 HIS 28 -10.833 20.279 6.030 239 HE1 HIS 28 HE1 HIS 28 -7.990 22.907 7.764 240 HE2 HIS 28 HE2 HIS 28 -10.433 22.485 7.320 241 H MET 29 HN MET 29 -7.097 17.054 8.045 242 HA MET 29 HA MET 29 -6.994 14.862 8.645 243 1HB MET 29 HB2 MET 29 -7.895 14.638 5.784 244 2HB MET 29 HB1 MET 29 -7.590 13.200 6.750 245 1HG MET 29 HG2 MET 29 -9.331 13.681 8.228 246 2HG MET 29 HG1 MET 29 -9.434 15.359 7.701 247 1HE MET 29 HE1 MET 29 -10.613 12.159 7.825 248 2HE MET 29 HE2 MET 29 -10.893 11.537 6.199 249 3HE MET 29 HE3 MET 29 -12.182 12.386 7.053 250 H ALA 30 HN ALA 30 -4.584 15.878 8.413 251 HA ALA 30 HA ALA 30 -2.870 14.641 6.523 252 1HB ALA 30 HB1 ALA 30 -1.141 15.333 8.421 253 2HB ALA 30 HB2 ALA 30 -2.522 16.291 8.957 254 3HB ALA 30 HB3 ALA 30 -1.873 16.511 7.332 255 H ASN 31 HN ASN 31 -4.449 13.340 9.192 256 HA ASN 31 HA ASN 31 -2.350 11.460 9.885 257 1HB ASN 31 HB2 ASN 31 -4.798 12.426 11.101 258 2HB ASN 31 HB1 ASN 31 -4.714 10.669 11.149 259 1HD2 ASN 31 1HD2 ASN 31 -2.028 12.943 11.247 260 2HD2 ASN 31 2HD2 ASN 31 -1.495 12.524 12.836 261 H LYS 32 HN LYS 32 -3.451 11.394 7.169 262 HA LYS 32 HA LYS 32 -4.649 8.715 7.202 263 1HB LYS 32 HB2 LYS 32 -5.337 11.108 5.711 264 2HB LYS 32 HB1 LYS 32 -5.059 9.734 4.650 265 1HG LYS 32 HG2 LYS 32 -6.623 8.489 6.325 266 2HG LYS 32 HG1 LYS 32 -7.148 10.124 6.738 267 1HD LYS 32 HD2 LYS 32 -7.593 10.523 4.320 268 2HD LYS 32 HD1 LYS 32 -7.214 8.827 4.016 269 1HE LYS 32 HE2 LYS 32 -9.014 8.277 5.724 270 2HE LYS 32 HE1 LYS 32 -9.490 9.971 5.612 271 1HZ LYS 32 HZ1 LYS 32 -9.641 7.871 3.550 272 2HZ LYS 32 HZ2 LYS 32 -9.585 9.501 3.103 273 3HZ LYS 32 HZ3 LYS 32 -10.846 8.936 4.077 274 H LEU 33 HN LEU 33 -1.828 9.451 7.296 275 HA LEU 33 HA LEU 33 -0.364 9.249 5.014 276 1HB LEU 33 HB2 LEU 33 0.302 9.295 7.532 277 2HB LEU 33 HB1 LEU 33 0.325 7.554 7.384 278 HG LEU 33 HG LEU 33 2.134 9.573 6.109 279 1HD1 LEU 33 1HD1 LEU 33 2.738 6.975 7.499 280 2HD1 LEU 33 2HD1 LEU 33 2.649 8.533 8.319 281 3HD1 LEU 33 3HD1 LEU 33 3.868 8.260 7.073 282 1HD2 LEU 33 1HD2 LEU 33 3.022 7.916 4.623 283 2HD2 LEU 33 2HD2 LEU 33 1.290 8.053 4.328 284 3HD2 LEU 33 3HD2 LEU 33 1.921 6.691 5.253 285 H GLU 34 HN GLU 34 -1.262 7.998 3.370 286 HA GLU 34 HA GLU 34 -1.515 5.118 3.911 287 1HB GLU 34 HB2 GLU 34 -3.444 6.654 2.951 288 2HB GLU 34 HB1 GLU 34 -2.618 6.348 1.429 289 1HG GLU 34 HG2 GLU 34 -3.102 4.100 1.461 290 2HG GLU 34 HG1 GLU 34 -3.315 4.062 3.210 291 H PHE 35 HN PHE 35 -1.181 3.754 1.873 292 HA PHE 35 HA PHE 35 1.303 4.624 0.552 293 1HB PHE 35 HB2 PHE 35 1.405 1.888 0.428 294 2HB PHE 35 HB1 PHE 35 2.226 2.873 1.631 295 HD1 PHE 35 HD1 PHE 35 1.992 2.215 3.810 296 HD2 PHE 35 HD2 PHE 35 -1.170 1.418 1.078 297 HE1 PHE 35 HE1 PHE 35 0.742 1.077 5.597 298 HE2 PHE 35 HE2 PHE 35 -2.427 0.277 2.859 299 HZ PHE 35 HZ PHE 35 -1.471 0.106 5.122 300 HA PRO 36 HA PRO 36 -0.319 3.839 -3.476 301 1HB PRO 36 HB2 PRO 36 1.605 2.237 -4.603 302 2HB PRO 36 HB1 PRO 36 1.756 3.985 -4.426 303 1HG PRO 36 HG2 PRO 36 2.869 1.804 -2.709 304 2HG PRO 36 HG1 PRO 36 3.636 3.312 -3.245 305 1HD PRO 36 HD2 PRO 36 2.640 3.047 -0.768 306 2HD PRO 36 HD1 PRO 36 2.534 4.584 -1.651 307 H GLY 37 HN GLY 37 -1.027 2.102 -5.002 308 1HA GLY 37 HA2 GLY 37 -1.509 -0.212 -5.410 309 2HA GLY 37 HA1 GLY 37 -1.313 -0.503 -3.709 310 H GLY 38 HN GLY 38 -3.270 1.541 -5.728 311 1HA GLY 38 HA2 GLY 38 -5.688 0.560 -4.376 312 2HA GLY 38 HA1 GLY 38 -5.442 2.282 -4.651 313 H LYS 39 HN LYS 39 -6.992 -0.381 -5.807 314 HA LYS 39 HA LYS 39 -8.532 -0.113 -7.619 315 1HB LYS 39 HB2 LYS 39 -7.488 2.004 -8.402 316 2HB LYS 39 HB1 LYS 39 -6.211 1.060 -9.155 317 1HG LYS 39 HG2 LYS 39 -7.444 0.705 -10.953 318 2HG LYS 39 HG1 LYS 39 -8.776 0.079 -9.980 319 1HD LYS 39 HD2 LYS 39 -8.433 3.002 -9.909 320 2HD LYS 39 HD1 LYS 39 -8.907 2.336 -11.473 321 1HE LYS 39 HE2 LYS 39 -10.991 2.475 -10.650 322 2HE LYS 39 HE1 LYS 39 -10.568 0.990 -9.800 323 1HZ LYS 39 HZ1 LYS 39 -10.279 2.093 -7.828 324 2HZ LYS 39 HZ2 LYS 39 -11.532 3.005 -8.505 325 3HZ LYS 39 HZ3 LYS 39 -9.942 3.580 -8.562 326 H ILE 40 HN ILE 40 -5.862 -1.824 -6.911 327 HA ILE 40 HA ILE 40 -5.147 -3.267 -9.143 328 HB ILE 40 HB ILE 40 -4.319 -4.955 -7.779 329 1HG1 ILE 40 2HG1 ILE 40 -5.751 -4.349 -5.280 330 2HG1 ILE 40 1HG1 ILE 40 -6.790 -4.959 -6.559 331 1HG2 ILE 40 1HG2 ILE 40 -4.288 -2.964 -5.619 332 2HG2 ILE 40 2HG2 ILE 40 -3.788 -2.379 -7.202 333 3HG2 ILE 40 3HG2 ILE 40 -2.956 -3.747 -6.464 334 1HD1 ILE 40 1HD1 ILE 40 -4.301 -6.456 -6.161 335 2HD1 ILE 40 2HD1 ILE 40 -5.946 -7.023 -6.445 336 3HD1 ILE 40 3HD1 ILE 40 -5.456 -6.516 -4.828 337 H GLU 41 HN GLU 41 -8.029 -3.361 -7.312 338 HA GLU 41 HA GLU 41 -9.179 -5.762 -7.817 339 1HB GLU 41 HB2 GLU 41 -11.373 -4.344 -8.030 340 2HB GLU 41 HB1 GLU 41 -10.491 -4.397 -6.517 341 1HG GLU 41 HG2 GLU 41 -10.250 -2.208 -6.526 342 2HG GLU 41 HG1 GLU 41 -9.474 -2.249 -8.100 343 H MET 42 HN MET 42 -10.257 -3.039 -9.807 344 HA MET 42 HA MET 42 -11.157 -3.094 -11.934 345 1HB MET 42 HB2 MET 42 -8.276 -3.473 -11.919 346 2HB MET 42 HB1 MET 42 -9.004 -4.103 -13.389 347 1HG MET 42 HG2 MET 42 -9.799 -2.039 -14.043 348 2HG MET 42 HG1 MET 42 -9.715 -1.377 -12.413 349 1HE MET 42 HE1 MET 42 -6.176 -2.736 -14.774 350 2HE MET 42 HE2 MET 42 -7.079 -1.625 -15.802 351 3HE MET 42 HE3 MET 42 -7.879 -3.040 -15.116 352 H GLY 43 HN GLY 43 -9.021 -5.827 -12.531 353 1HA GLY 43 HA2 GLY 43 -11.070 -7.813 -12.398 354 2HA GLY 43 HA1 GLY 43 -10.749 -7.309 -14.043 355 H GLU 44 HN GLU 44 -8.273 -7.351 -11.627 356 HA GLU 44 HA GLU 44 -6.868 -9.397 -13.181 357 1HB GLU 44 HB2 GLU 44 -6.007 -7.266 -11.267 358 2HB GLU 44 HB1 GLU 44 -4.964 -8.656 -11.534 359 1HG GLU 44 HG2 GLU 44 -4.182 -7.063 -13.030 360 2HG GLU 44 HG1 GLU 44 -5.189 -8.118 -14.021 361 H THR 45 HN THR 45 -5.227 -10.642 -11.575 362 HA THR 45 HA THR 45 -6.965 -11.947 -9.588 363 HB THR 45 HB THR 45 -4.633 -13.503 -10.254 364 HG1 THR 45 HG1 THR 45 -6.264 -12.841 -12.473 365 1HG2 THR 45 1HG2 THR 45 -7.513 -13.857 -10.100 366 2HG2 THR 45 2HG2 THR 45 -6.204 -14.976 -9.719 367 3HG2 THR 45 3HG2 THR 45 -6.758 -14.800 -11.386 368 HA PRO 46 HA PRO 46 -4.501 -10.953 -6.077 369 1HB PRO 46 HB2 PRO 46 -3.548 -13.552 -5.428 370 2HB PRO 46 HB1 PRO 46 -4.944 -12.720 -4.744 371 1HG PRO 46 HG2 PRO 46 -4.828 -14.737 -6.920 372 2HG PRO 46 HG1 PRO 46 -6.097 -14.447 -5.715 373 1HD PRO 46 HD2 PRO 46 -6.428 -13.695 -8.246 374 2HD PRO 46 HD1 PRO 46 -6.998 -12.664 -6.918 375 H GLU 47 HN GLU 47 -3.130 -12.938 -8.610 376 HA GLU 47 HA GLU 47 -0.408 -12.424 -7.757 377 1HB GLU 47 HB2 GLU 47 -1.547 -14.508 -9.069 378 2HB GLU 47 HB1 GLU 47 -0.874 -13.604 -10.418 379 1HG GLU 47 HG2 GLU 47 1.013 -14.699 -10.003 380 2HG GLU 47 HG1 GLU 47 1.193 -13.617 -8.624 381 H GLN 48 HN GLN 48 -2.182 -11.865 -10.830 382 HA GLN 48 HA GLN 48 -0.212 -9.934 -11.657 383 1HB GLN 48 HB2 GLN 48 -1.569 -9.721 -13.684 384 2HB GLN 48 HB1 GLN 48 -1.240 -11.405 -13.302 385 1HG GLN 48 HG2 GLN 48 -3.486 -11.592 -12.313 386 2HG GLN 48 HG1 GLN 48 -3.808 -9.924 -12.785 387 1HE2 GLN 48 1HE2 GLN 48 -2.582 -12.924 -14.241 388 2HE2 GLN 48 2HE2 GLN 48 -3.487 -12.783 -15.706 389 H ALA 49 HN ALA 49 -2.837 -9.706 -9.616 390 HA ALA 49 HA ALA 49 -4.022 -7.283 -10.412 391 1HB ALA 49 HB1 ALA 49 -4.836 -7.133 -8.103 392 2HB ALA 49 HB2 ALA 49 -3.763 -8.456 -7.646 393 3HB ALA 49 HB3 ALA 49 -5.079 -8.739 -8.787 394 H VAL 50 HN VAL 50 -1.517 -7.877 -7.939 395 HA VAL 50 HA VAL 50 -0.991 -5.064 -7.668 396 HB VAL 50 HB VAL 50 0.486 -5.573 -5.959 397 1HG1 VAL 50 1HG1 VAL 50 -0.756 -8.113 -5.404 398 2HG1 VAL 50 2HG1 VAL 50 -1.935 -6.947 -6.004 399 3HG1 VAL 50 3HG1 VAL 50 -0.952 -6.562 -4.594 400 1HG2 VAL 50 1HG2 VAL 50 2.038 -6.943 -7.223 401 2HG2 VAL 50 2HG2 VAL 50 0.907 -8.295 -7.190 402 3HG2 VAL 50 3HG2 VAL 50 1.647 -7.727 -5.691 403 H VAL 51 HN VAL 51 0.700 -7.836 -9.096 404 HA VAL 51 HA VAL 51 3.038 -6.552 -9.866 405 HB VAL 51 HB VAL 51 1.650 -8.751 -11.402 406 1HG1 VAL 51 1HG1 VAL 51 4.283 -9.251 -11.635 407 2HG1 VAL 51 2HG1 VAL 51 4.313 -7.490 -11.545 408 3HG1 VAL 51 3HG1 VAL 51 3.367 -8.292 -12.798 409 1HG2 VAL 51 1HG2 VAL 51 2.257 -10.260 -9.855 410 2HG2 VAL 51 2HG2 VAL 51 2.343 -8.875 -8.768 411 3HG2 VAL 51 3HG2 VAL 51 3.805 -9.471 -9.551 412 H ARG 52 HN ARG 52 -0.061 -6.793 -11.553 413 HA ARG 52 HA ARG 52 0.922 -5.377 -13.837 414 1HB ARG 52 HB2 ARG 52 -0.924 -7.065 -13.941 415 2HB ARG 52 HB1 ARG 52 -1.952 -5.920 -13.089 416 1HG ARG 52 HG2 ARG 52 -0.608 -5.191 -15.665 417 2HG ARG 52 HG1 ARG 52 -2.145 -6.057 -15.634 418 1HD ARG 52 HD2 ARG 52 -2.651 -4.051 -13.886 419 2HD ARG 52 HD1 ARG 52 -1.535 -3.251 -14.991 420 HE ARG 52 HE ARG 52 -3.559 -4.650 -16.411 421 1HH1 ARG 52 1HH1 ARG 52 -2.975 -1.740 -14.575 422 2HH1 ARG 52 2HH1 ARG 52 -4.218 -0.838 -15.373 423 1HH2 ARG 52 1HH2 ARG 52 -5.195 -3.465 -17.462 424 2HH2 ARG 52 2HH2 ARG 52 -5.478 -1.816 -17.012 425 H GLU 53 HN GLU 53 -1.220 -4.598 -11.126 426 HA GLU 53 HA GLU 53 -1.670 -1.914 -11.926 427 1HB GLU 53 HB2 GLU 53 -3.042 -3.367 -10.297 428 2HB GLU 53 HB1 GLU 53 -1.860 -2.886 -9.086 429 1HG GLU 53 HG2 GLU 53 -3.330 -1.227 -8.725 430 2HG GLU 53 HG1 GLU 53 -2.476 -0.478 -10.074 431 H LEU 54 HN LEU 54 0.930 -3.494 -10.305 432 HA LEU 54 HA LEU 54 1.975 -1.446 -8.743 433 1HB LEU 54 HB2 LEU 54 2.886 -3.960 -9.776 434 2HB LEU 54 HB1 LEU 54 4.159 -2.772 -9.961 435 HG LEU 54 HG LEU 54 4.350 -2.422 -7.658 436 1HD1 LEU 54 1HD1 LEU 54 1.540 -3.177 -7.616 437 2HD1 LEU 54 2HD1 LEU 54 2.453 -2.145 -6.517 438 3HD1 LEU 54 3HD1 LEU 54 2.465 -3.896 -6.297 439 1HD2 LEU 54 1HD2 LEU 54 4.127 -4.928 -6.769 440 2HD2 LEU 54 2HD2 LEU 54 5.422 -4.402 -7.845 441 3HD2 LEU 54 3HD2 LEU 54 4.010 -5.230 -8.503 442 H GLN 55 HN GLN 55 2.437 -2.130 -12.185 443 HA GLN 55 HA GLN 55 4.271 -0.061 -12.704 444 1HB GLN 55 HB2 GLN 55 2.734 -1.949 -14.228 445 2HB GLN 55 HB1 GLN 55 2.577 -0.361 -14.968 446 1HG GLN 55 HG2 GLN 55 4.815 -0.221 -15.470 447 2HG GLN 55 HG1 GLN 55 5.279 -1.356 -14.204 448 1HE2 GLN 55 1HE2 GLN 55 5.440 -3.475 -14.671 449 2HE2 GLN 55 2HE2 GLN 55 5.129 -4.161 -16.226 450 H GLU 56 HN GLU 56 0.794 -0.181 -12.430 451 HA GLU 56 HA GLU 56 0.344 2.511 -13.323 452 1HB GLU 56 HB2 GLU 56 -1.252 0.368 -13.175 453 2HB GLU 56 HB1 GLU 56 -1.666 1.115 -11.643 454 1HG GLU 56 HG2 GLU 56 -1.746 3.212 -13.438 455 2HG GLU 56 HG1 GLU 56 -2.427 1.855 -14.335 456 H GLU 57 HN GLU 57 1.032 0.949 -10.277 457 HA GLU 57 HA GLU 57 0.407 3.451 -8.867 458 1HB GLU 57 HB2 GLU 57 0.287 0.600 -8.129 459 2HB GLU 57 HB1 GLU 57 0.890 1.675 -6.875 460 1HG GLU 57 HG2 GLU 57 -1.518 1.309 -6.705 461 2HG GLU 57 HG1 GLU 57 -1.121 3.003 -6.989 462 H VAL 58 HN VAL 58 2.991 2.195 -10.310 463 HA VAL 58 HA VAL 58 4.833 3.373 -8.354 464 HB VAL 58 HB VAL 58 5.504 0.874 -9.915 465 1HG1 VAL 58 1HG1 VAL 58 7.158 1.074 -7.709 466 2HG1 VAL 58 2HG1 VAL 58 7.009 2.737 -8.274 467 3HG1 VAL 58 3HG1 VAL 58 7.579 1.481 -9.373 468 1HG2 VAL 58 1HG2 VAL 58 5.003 0.943 -6.963 469 2HG2 VAL 58 2HG2 VAL 58 5.098 -0.449 -8.041 470 3HG2 VAL 58 3HG2 VAL 58 3.701 0.627 -8.110 471 H GLY 59 HN GLY 59 4.321 2.215 -11.646 472 1HA GLY 59 HA2 GLY 59 4.876 3.129 -13.658 473 2HA GLY 59 HA1 GLY 59 5.249 4.611 -12.818 474 H ILE 60 HN ILE 60 7.288 3.647 -11.200 475 HA ILE 60 HA ILE 60 9.465 3.681 -13.041 476 HB ILE 60 HB ILE 60 10.663 3.169 -10.669 477 1HG1 ILE 60 2HG1 ILE 60 8.528 5.031 -9.773 478 2HG1 ILE 60 1HG1 ILE 60 8.225 3.299 -9.703 479 1HG2 ILE 60 1HG2 ILE 60 9.844 5.975 -11.159 480 2HG2 ILE 60 2HG2 ILE 60 10.754 5.131 -12.413 481 3HG2 ILE 60 3HG2 ILE 60 11.436 5.309 -10.796 482 1HD1 ILE 60 1HD1 ILE 60 10.310 4.879 -8.259 483 2HD1 ILE 60 2HD1 ILE 60 10.423 3.128 -8.441 484 3HD1 ILE 60 3HD1 ILE 60 9.049 3.840 -7.597 485 H THR 61 HN THR 61 11.409 2.163 -12.183 486 HA THR 61 HA THR 61 10.401 -0.585 -12.385 487 HB THR 61 HB THR 61 12.924 -0.789 -13.175 488 HG1 THR 61 HG1 THR 61 12.259 1.841 -13.955 489 1HG2 THR 61 1HG2 THR 61 10.953 -1.328 -14.569 490 2HG2 THR 61 2HG2 THR 61 12.259 -0.563 -15.476 491 3HG2 THR 61 3HG2 THR 61 10.844 0.381 -15.001 492 HA PRO 62 HA PRO 62 12.726 -0.583 -8.456 493 1HB PRO 62 HB2 PRO 62 10.748 -0.814 -6.771 494 2HB PRO 62 HB1 PRO 62 10.831 0.648 -7.764 495 1HG PRO 62 HG2 PRO 62 9.049 -1.726 -8.049 496 2HG PRO 62 HG1 PRO 62 8.697 -0.015 -8.351 497 1HD PRO 62 HD2 PRO 62 9.543 -1.993 -10.249 498 2HD PRO 62 HD1 PRO 62 9.258 -0.266 -10.523 499 H GLN 63 HN GLN 63 13.529 -2.307 -7.258 500 HA GLN 63 HA GLN 63 12.671 -4.971 -7.979 501 1HB GLN 63 HB2 GLN 63 14.479 -4.239 -5.668 502 2HB GLN 63 HB1 GLN 63 14.418 -5.760 -6.549 503 1HG GLN 63 HG2 GLN 63 15.412 -4.766 -8.474 504 2HG GLN 63 HG1 GLN 63 15.290 -3.156 -7.769 505 1HE2 GLN 63 1HE2 GLN 63 16.358 -6.201 -6.330 506 2HE2 GLN 63 2HE2 GLN 63 17.952 -5.663 -5.936 507 H HIS 64 HN HIS 64 10.508 -4.620 -7.444 508 HA HIS 64 HA HIS 64 9.900 -4.604 -4.567 509 1HB HIS 64 HB2 HIS 64 9.077 -2.583 -5.405 510 2HB HIS 64 HB1 HIS 64 8.691 -3.290 -6.940 511 HD1 HIS 64 HD1 HIS 64 7.321 -4.980 -3.926 512 HD2 HIS 64 HD2 HIS 64 6.101 -2.194 -6.749 513 HE1 HIS 64 HE1 HIS 64 4.829 -4.820 -3.673 514 HE2 HIS 64 HE2 HIS 64 4.145 -2.994 -5.263 515 H PHE 65 HN PHE 65 8.750 -6.238 -3.762 516 HA PHE 65 HA PHE 65 6.793 -7.709 -5.142 517 1HB PHE 65 HB2 PHE 65 9.170 -8.384 -6.119 518 2HB PHE 65 HB1 PHE 65 9.203 -9.405 -4.693 519 HD1 PHE 65 HD1 PHE 65 6.108 -9.878 -4.756 520 HD2 PHE 65 HD2 PHE 65 9.205 -10.215 -7.657 521 HE1 PHE 65 HE1 PHE 65 4.790 -11.569 -5.965 522 HE2 PHE 65 HE2 PHE 65 7.892 -11.905 -8.869 523 HZ PHE 65 HZ PHE 65 5.681 -12.583 -8.024 524 H SER 66 HN SER 66 7.927 -10.196 -3.659 525 HA SER 66 HA SER 66 7.488 -11.290 -1.740 526 1HB SER 66 HB2 SER 66 9.412 -9.513 -1.231 527 2HB SER 66 HB1 SER 66 8.191 -8.905 -0.117 528 HG SER 66 HG SER 66 9.587 -11.313 -0.093 529 H LEU 67 HN LEU 67 6.372 -11.148 0.457 530 HA LEU 67 HA LEU 67 4.063 -9.355 0.381 531 1HB LEU 67 HB2 LEU 67 3.260 -11.378 -0.630 532 2HB LEU 67 HB1 LEU 67 3.978 -12.356 0.637 533 HG LEU 67 HG LEU 67 1.985 -10.362 1.527 534 1HD1 LEU 67 1HD1 LEU 67 0.767 -12.843 0.541 535 2HD1 LEU 67 2HD1 LEU 67 1.294 -11.720 -0.712 536 3HD1 LEU 67 3HD1 LEU 67 0.155 -11.190 0.525 537 1HD2 LEU 67 1HD2 LEU 67 3.304 -12.453 2.670 538 2HD2 LEU 67 2HD2 LEU 67 1.749 -13.184 2.269 539 3HD2 LEU 67 3HD2 LEU 67 1.810 -11.742 3.283 540 H PHE 68 HN PHE 68 4.056 -8.277 2.234 541 HA PHE 68 HA PHE 68 5.473 -9.233 4.537 542 1HB PHE 68 HB2 PHE 68 5.633 -6.993 4.712 543 2HB PHE 68 HB1 PHE 68 4.265 -6.735 3.639 544 HD1 PHE 68 HD1 PHE 68 2.125 -6.201 4.489 545 HD2 PHE 68 HD2 PHE 68 5.255 -7.319 7.141 546 HE1 PHE 68 HE1 PHE 68 0.771 -5.438 6.395 547 HE2 PHE 68 HE2 PHE 68 3.909 -6.563 9.054 548 HZ PHE 68 HZ PHE 68 1.663 -5.615 8.683 549 H GLU 69 HN GLU 69 2.069 -8.399 3.923 550 HA GLU 69 HA GLU 69 1.050 -10.691 5.217 551 1HB GLU 69 HB2 GLU 69 1.487 -8.289 6.869 552 2HB GLU 69 HB1 GLU 69 -0.125 -8.978 6.985 553 1HG GLU 69 HG2 GLU 69 1.418 -11.198 7.210 554 2HG GLU 69 HG1 GLU 69 2.437 -9.984 7.982 555 H LYS 70 HN LYS 70 -0.968 -11.031 4.461 556 HA LYS 70 HA LYS 70 -2.430 -8.694 3.407 557 1HB LYS 70 HB2 LYS 70 -3.340 -10.312 1.661 558 2HB LYS 70 HB1 LYS 70 -1.666 -9.809 1.473 559 1HG LYS 70 HG2 LYS 70 -1.549 -12.070 1.064 560 2HG LYS 70 HG1 LYS 70 -1.127 -11.985 2.775 561 1HD LYS 70 HD2 LYS 70 -2.955 -13.128 3.394 562 2HD LYS 70 HD1 LYS 70 -3.998 -12.226 2.293 563 1HE LYS 70 HE2 LYS 70 -2.117 -14.121 1.038 564 2HE LYS 70 HE1 LYS 70 -3.410 -14.839 2.000 565 1HZ LYS 70 HZ1 LYS 70 -4.108 -12.745 0.072 566 2HZ LYS 70 HZ2 LYS 70 -5.008 -14.082 0.584 567 3HZ LYS 70 HZ3 LYS 70 -3.745 -14.288 -0.521 568 H LEU 71 HN LEU 71 -4.507 -8.512 4.047 569 HA LEU 71 HA LEU 71 -5.743 -10.843 5.350 570 1HB LEU 71 HB2 LEU 71 -6.547 -9.587 7.120 571 2HB LEU 71 HB1 LEU 71 -4.936 -8.947 6.884 572 HG LEU 71 HG LEU 71 -6.262 -7.066 7.279 573 1HD1 LEU 71 1HD1 LEU 71 -6.301 -7.174 4.281 574 2HD1 LEU 71 2HD1 LEU 71 -4.815 -6.970 5.208 575 3HD1 LEU 71 3HD1 LEU 71 -6.101 -5.770 5.327 576 1HD2 LEU 71 1HD2 LEU 71 -8.287 -7.617 5.190 577 2HD2 LEU 71 2HD2 LEU 71 -8.445 -6.783 6.736 578 3HD2 LEU 71 3HD2 LEU 71 -8.390 -8.545 6.686 579 H GLU 72 HN GLU 72 -8.179 -10.578 5.539 580 HA GLU 72 HA GLU 72 -9.318 -9.098 3.292 581 1HB GLU 72 HB2 GLU 72 -9.115 -11.127 2.198 582 2HB GLU 72 HB1 GLU 72 -9.313 -12.064 3.671 583 1HG GLU 72 HG2 GLU 72 -11.647 -11.776 3.660 584 2HG GLU 72 HG1 GLU 72 -11.562 -10.509 2.439 585 H TYR 73 HN TYR 73 -11.041 -8.003 3.928 586 HA TYR 73 HA TYR 73 -12.809 -9.125 5.968 587 1HB TYR 73 HB2 TYR 73 -12.871 -7.063 7.246 588 2HB TYR 73 HB1 TYR 73 -11.209 -7.634 7.146 589 HD1 TYR 73 HD1 TYR 73 -13.127 -4.789 7.076 590 HD2 TYR 73 HD2 TYR 73 -9.988 -6.652 4.890 591 HE1 TYR 73 HE1 TYR 73 -12.435 -2.595 6.210 592 HE2 TYR 73 HE2 TYR 73 -9.288 -4.464 4.018 593 HH TYR 73 HH TYR 73 -10.150 -1.610 5.303 594 H GLU 74 HN GLU 74 -14.954 -8.365 5.857 595 HA GLU 74 HA GLU 74 -15.548 -6.793 3.438 596 1HB GLU 74 HB2 GLU 74 -17.722 -8.107 3.380 597 2HB GLU 74 HB1 GLU 74 -16.263 -8.980 2.935 598 1HG GLU 74 HG2 GLU 74 -16.226 -9.721 5.403 599 2HG GLU 74 HG1 GLU 74 -17.910 -9.202 5.421 600 H PHE 75 HN PHE 75 -16.702 -5.034 3.682 601 HA PHE 75 HA PHE 75 -17.718 -4.325 6.302 602 1HB PHE 75 HB2 PHE 75 -16.836 -2.915 3.913 603 2HB PHE 75 HB1 PHE 75 -18.351 -2.269 4.528 604 HD1 PHE 75 HD1 PHE 75 -18.121 -0.460 5.907 605 HD2 PHE 75 HD2 PHE 75 -15.132 -3.489 5.978 606 HE1 PHE 75 HE1 PHE 75 -16.882 0.807 7.615 607 HE2 PHE 75 HE2 PHE 75 -13.889 -2.228 7.686 608 HZ PHE 75 HZ PHE 75 -14.764 -0.077 8.506 609 HA PRO 76 HA PRO 76 -22.040 -5.011 5.839 610 1HB PRO 76 HB2 PRO 76 -23.042 -2.388 5.966 611 2HB PRO 76 HB1 PRO 76 -22.791 -3.480 7.328 612 1HG PRO 76 HG2 PRO 76 -21.061 -1.278 6.320 613 2HG PRO 76 HG1 PRO 76 -21.328 -1.831 7.983 614 1HD PRO 76 HD2 PRO 76 -19.074 -2.419 6.662 615 2HD PRO 76 HD1 PRO 76 -19.819 -3.587 7.771 616 H ASP 77 HN ASP 77 -21.592 -5.604 3.609 617 HA ASP 77 HA ASP 77 -22.567 -5.692 1.516 618 1HB ASP 77 HB2 ASP 77 -24.179 -3.835 2.514 619 2HB ASP 77 HB1 ASP 77 -23.239 -2.787 1.455 620 H ARG 78 HN ARG 78 -19.890 -4.407 2.526 621 HA ARG 78 HA ARG 78 -18.992 -3.703 -0.172 622 1HB ARG 78 HB2 ARG 78 -19.400 -1.637 1.258 623 2HB ARG 78 HB1 ARG 78 -18.064 -2.183 2.262 624 1HG ARG 78 HG2 ARG 78 -16.496 -1.849 0.571 625 2HG ARG 78 HG1 ARG 78 -17.730 -1.807 -0.690 626 1HD ARG 78 HD2 ARG 78 -18.335 0.356 -0.216 627 2HD ARG 78 HD1 ARG 78 -17.817 0.246 1.465 628 HE ARG 78 HE ARG 78 -16.219 1.015 -0.801 629 1HH1 ARG 78 1HH1 ARG 78 -16.160 -0.260 2.448 630 2HH1 ARG 78 2HH1 ARG 78 -14.536 0.255 2.753 631 1HH2 ARG 78 1HH2 ARG 78 -14.081 1.691 -0.400 632 2HH2 ARG 78 2HH2 ARG 78 -13.355 1.362 1.138 633 H HIS 79 HN HIS 79 -17.933 -5.656 -0.425 634 HA HIS 79 HA HIS 79 -16.167 -6.688 1.591 635 1HB HIS 79 HB2 HIS 79 -16.396 -7.509 -1.311 636 2HB HIS 79 HB1 HIS 79 -15.658 -8.437 -0.010 637 HD1 HIS 79 HD1 HIS 79 -19.001 -7.381 -1.348 638 HD2 HIS 79 HD2 HIS 79 -17.429 -9.868 1.585 639 HE1 HIS 79 HE1 HIS 79 -20.936 -8.762 -0.531 640 HE2 HIS 79 HE2 HIS 79 -19.946 -10.314 1.190 641 H ILE 80 HN ILE 80 -14.321 -5.646 2.026 642 HA ILE 80 HA ILE 80 -12.776 -4.560 -0.217 643 HB ILE 80 HB ILE 80 -13.312 -2.787 1.248 644 1HG1 ILE 80 2HG1 ILE 80 -10.627 -3.474 2.349 645 2HG1 ILE 80 1HG1 ILE 80 -10.798 -3.277 0.610 646 1HG2 ILE 80 1HG2 ILE 80 -12.448 -4.587 3.503 647 2HG2 ILE 80 2HG2 ILE 80 -14.083 -4.024 3.156 648 3HG2 ILE 80 3HG2 ILE 80 -12.847 -2.880 3.681 649 1HD1 ILE 80 1HD1 ILE 80 -11.475 -1.222 2.700 650 2HD1 ILE 80 2HD1 ILE 80 -11.674 -1.022 0.960 651 3HD1 ILE 80 3HD1 ILE 80 -10.061 -1.216 1.646 652 H THR 81 HN THR 81 -11.169 -5.860 -0.814 653 HA THR 81 HA THR 81 -9.887 -7.602 1.153 654 HB THR 81 HB THR 81 -8.741 -8.097 -1.334 655 HG1 THR 81 HG1 THR 81 -11.525 -7.721 -1.679 656 1HG2 THR 81 1HG2 THR 81 -9.336 -10.144 -0.774 657 2HG2 THR 81 2HG2 THR 81 -11.029 -9.753 -1.079 658 3HG2 THR 81 3HG2 THR 81 -10.337 -9.493 0.524 659 H LEU 82 HN LEU 82 -8.055 -6.920 2.103 660 HA LEU 82 HA LEU 82 -6.421 -4.937 0.659 661 1HB LEU 82 HB2 LEU 82 -7.015 -5.353 3.556 662 2HB LEU 82 HB1 LEU 82 -5.510 -4.585 3.090 663 HG LEU 82 HG LEU 82 -8.224 -3.583 2.240 664 1HD1 LEU 82 1HD1 LEU 82 -6.536 -2.297 4.344 665 2HD1 LEU 82 2HD1 LEU 82 -7.656 -3.592 4.767 666 3HD1 LEU 82 3HD1 LEU 82 -8.259 -2.112 4.023 667 1HD2 LEU 82 1HD2 LEU 82 -5.499 -2.290 2.198 668 2HD2 LEU 82 2HD2 LEU 82 -7.013 -1.553 1.670 669 3HD2 LEU 82 3HD2 LEU 82 -6.352 -2.934 0.795 670 H TRP 83 HN TRP 83 -4.652 -5.763 -0.219 671 HA TRP 83 HA TRP 83 -3.230 -7.897 1.234 672 1HB TRP 83 HB2 TRP 83 -3.302 -7.366 -1.746 673 2HB TRP 83 HB1 TRP 83 -2.303 -8.588 -0.964 674 HD1 TRP 83 HD1 TRP 83 -5.990 -7.869 -0.189 675 HE1 TRP 83 HE1 TRP 83 -7.353 -9.998 -0.640 676 HE3 TRP 83 HE3 TRP 83 -2.281 -10.788 -2.122 677 HZ2 TRP 83 HZ2 TRP 83 -6.910 -12.590 -1.680 678 HZ3 TRP 83 HZ3 TRP 83 -2.828 -13.083 -2.821 679 HH2 TRP 83 HH2 TRP 83 -5.095 -13.964 -2.604 680 H PHE 84 HN PHE 84 -1.365 -7.341 2.039 681 HA PHE 84 HA PHE 84 -0.014 -4.962 0.964 682 1HB PHE 84 HB2 PHE 84 0.029 -6.199 3.703 683 2HB PHE 84 HB1 PHE 84 1.272 -5.074 3.192 684 HD1 PHE 84 HD1 PHE 84 0.448 -3.832 5.266 685 HD2 PHE 84 HD2 PHE 84 -1.913 -4.338 1.755 686 HE1 PHE 84 HE1 PHE 84 -0.979 -1.953 5.952 687 HE2 PHE 84 HE2 PHE 84 -3.340 -2.460 2.442 688 HZ PHE 84 HZ PHE 84 -2.873 -1.264 4.541 689 H TRP 85 HN TRP 85 1.787 -5.208 -0.158 690 HA TRP 85 HA TRP 85 3.217 -7.767 0.008 691 1HB TRP 85 HB2 TRP 85 3.219 -5.694 -2.195 692 2HB TRP 85 HB1 TRP 85 4.103 -7.219 -2.227 693 HD1 TRP 85 HD1 TRP 85 0.401 -6.108 -1.796 694 HE1 TRP 85 HE1 TRP 85 -1.085 -7.818 -3.014 695 HE3 TRP 85 HE3 TRP 85 4.022 -9.336 -3.399 696 HZ2 TRP 85 HZ2 TRP 85 -0.766 -10.218 -4.463 697 HZ3 TRP 85 HZ3 TRP 85 3.348 -11.318 -4.692 698 HH2 TRP 85 HH2 TRP 85 1.003 -11.748 -5.214 699 H LEU 86 HN LEU 86 5.525 -7.809 0.152 700 HA LEU 86 HA LEU 86 6.557 -5.405 1.464 701 1HB LEU 86 HB2 LEU 86 6.715 -7.398 2.766 702 2HB LEU 86 HB1 LEU 86 7.521 -8.252 1.468 703 HG LEU 86 HG LEU 86 8.934 -7.440 3.454 704 1HD1 LEU 86 1HD1 LEU 86 10.807 -7.432 2.139 705 2HD1 LEU 86 2HD1 LEU 86 10.056 -6.450 0.881 706 3HD1 LEU 86 3HD1 LEU 86 9.636 -8.156 1.036 707 1HD2 LEU 86 1HD2 LEU 86 7.838 -5.094 3.210 708 2HD2 LEU 86 2HD2 LEU 86 9.068 -4.851 1.970 709 3HD2 LEU 86 3HD2 LEU 86 9.547 -5.224 3.626 710 H VAL 87 HN VAL 87 7.379 -4.044 0.081 711 HA VAL 87 HA VAL 87 8.902 -4.816 -2.253 712 HB VAL 87 HB VAL 87 8.563 -2.078 -1.095 713 1HG1 VAL 87 1HG1 VAL 87 10.070 -1.702 -2.720 714 2HG1 VAL 87 2HG1 VAL 87 8.636 -1.722 -3.747 715 3HG1 VAL 87 3HG1 VAL 87 9.640 -3.163 -3.603 716 1HG2 VAL 87 1HG2 VAL 87 6.372 -2.259 -1.520 717 2HG2 VAL 87 2HG2 VAL 87 6.601 -3.851 -2.252 718 3HG2 VAL 87 3HG2 VAL 87 6.782 -2.392 -3.231 719 H GLU 88 HN GLU 88 11.110 -4.440 -2.590 720 HA GLU 88 HA GLU 88 12.534 -3.904 -0.075 721 1HB GLU 88 HB2 GLU 88 12.885 -6.174 -0.778 722 2HB GLU 88 HB1 GLU 88 13.348 -5.654 -2.392 723 1HG GLU 88 HG2 GLU 88 15.332 -6.245 -1.256 724 2HG GLU 88 HG1 GLU 88 15.304 -4.486 -1.358 725 H ARG 89 HN ARG 89 12.337 -2.877 -3.425 726 HA ARG 89 HA ARG 89 14.014 -0.631 -2.802 727 1HB ARG 89 HB2 ARG 89 15.884 -1.911 -3.228 728 2HB ARG 89 HB1 ARG 89 15.060 -2.925 -4.395 729 1HG ARG 89 HG2 ARG 89 16.580 -1.720 -5.665 730 2HG ARG 89 HG1 ARG 89 15.064 -0.858 -5.915 731 1HD ARG 89 HD2 ARG 89 16.107 0.999 -5.267 732 2HD ARG 89 HD1 ARG 89 16.208 0.307 -3.648 733 HE ARG 89 HE ARG 89 18.350 -0.758 -4.906 734 1HH1 ARG 89 1HH1 ARG 89 17.192 2.512 -4.531 735 2HH1 ARG 89 2HH1 ARG 89 18.774 3.213 -4.589 736 1HH2 ARG 89 1HH2 ARG 89 20.433 0.161 -4.981 737 2HH2 ARG 89 2HH2 ARG 89 20.615 1.878 -4.846 738 H TRP 90 HN TRP 90 14.177 0.917 -4.589 739 HA TRP 90 HA TRP 90 12.523 0.465 -6.889 740 1HB TRP 90 HB2 TRP 90 10.784 1.924 -6.471 741 2HB TRP 90 HB1 TRP 90 11.058 1.261 -4.869 742 HD1 TRP 90 HD1 TRP 90 12.061 4.407 -6.910 743 HE1 TRP 90 HE1 TRP 90 12.167 6.394 -5.277 744 HE3 TRP 90 HE3 TRP 90 11.132 1.918 -2.544 745 HZ2 TRP 90 HZ2 TRP 90 11.879 6.845 -2.512 746 HZ3 TRP 90 HZ3 TRP 90 11.057 3.203 -0.448 747 HH2 TRP 90 HH2 TRP 90 11.427 5.614 -0.430 748 H GLU 91 HN GLU 91 13.434 1.368 -8.602 749 HA GLU 91 HA GLU 91 15.691 3.097 -8.282 750 1HB GLU 91 HB2 GLU 91 14.205 2.097 -10.709 751 2HB GLU 91 HB1 GLU 91 15.614 3.144 -10.815 752 1HG GLU 91 HG2 GLU 91 16.687 1.283 -9.293 753 2HG GLU 91 HG1 GLU 91 15.421 0.292 -10.015 754 H GLY 92 HN GLY 92 15.932 5.242 -8.919 755 1HA GLY 92 HA2 GLY 92 15.296 7.439 -9.117 756 2HA GLY 92 HA1 GLY 92 14.023 6.841 -10.170 757 H GLU 93 HN GLU 93 12.197 7.800 -9.559 758 HA GLU 93 HA GLU 93 11.530 7.781 -6.690 759 1HB GLU 93 HB2 GLU 93 10.539 9.811 -8.691 760 2HB GLU 93 HB1 GLU 93 10.362 9.856 -6.942 761 1HG GLU 93 HG2 GLU 93 12.819 10.075 -6.746 762 2HG GLU 93 HG1 GLU 93 12.915 10.160 -8.504 763 HA PRO 94 HA PRO 94 7.955 5.462 -7.932 764 1HB PRO 94 HB2 PRO 94 6.590 6.209 -5.491 765 2HB PRO 94 HB1 PRO 94 7.345 4.667 -5.901 766 1HG PRO 94 HG2 PRO 94 8.304 6.350 -3.977 767 2HG PRO 94 HG1 PRO 94 9.322 5.222 -4.890 768 1HD PRO 94 HD2 PRO 94 8.900 8.160 -5.306 769 2HD PRO 94 HD1 PRO 94 10.406 7.218 -5.373 770 H TRP 95 HN TRP 95 6.327 6.016 -9.255 771 HA TRP 95 HA TRP 95 4.796 8.416 -8.584 772 1HB TRP 95 HB2 TRP 95 4.724 8.993 -11.036 773 2HB TRP 95 HB1 TRP 95 6.273 9.237 -10.246 774 HD1 TRP 95 HD1 TRP 95 8.303 7.729 -11.045 775 HE1 TRP 95 HE1 TRP 95 8.698 6.319 -13.169 776 HE3 TRP 95 HE3 TRP 95 3.472 7.334 -12.653 777 HZ2 TRP 95 HZ2 TRP 95 7.159 5.217 -15.255 778 HZ3 TRP 95 HZ3 TRP 95 3.018 6.096 -14.727 779 HH2 TRP 95 HH2 TRP 95 4.822 5.049 -15.995 780 H GLY 96 HN GLY 96 4.917 5.781 -10.963 781 1HA GLY 96 HA2 GLY 96 3.206 4.565 -11.936 782 2HA GLY 96 HA1 GLY 96 2.677 4.395 -10.273 783 H LYS 97 HN LYS 97 0.955 5.578 -9.519 784 HA LYS 97 HA LYS 97 -0.234 7.759 -10.816 785 1HB LYS 97 HB2 LYS 97 -0.673 5.540 -12.302 786 2HB LYS 97 HB1 LYS 97 -2.061 5.468 -11.223 787 1HG LYS 97 HG2 LYS 97 -1.563 8.107 -12.400 788 2HG LYS 97 HG1 LYS 97 -1.979 6.842 -13.558 789 1HD LYS 97 HD2 LYS 97 -3.893 6.293 -11.904 790 2HD LYS 97 HD1 LYS 97 -3.583 7.907 -11.263 791 1HE LYS 97 HE2 LYS 97 -3.900 8.827 -13.536 792 2HE LYS 97 HE1 LYS 97 -4.303 7.209 -14.108 793 1HZ LYS 97 HZ1 LYS 97 -5.886 9.068 -12.530 794 2HZ LYS 97 HZ2 LYS 97 -6.003 7.441 -12.084 795 3HZ LYS 97 HZ3 LYS 97 -6.380 7.913 -13.664 796 H GLU 98 HN GLU 98 0.403 6.777 -8.169 797 HA GLU 98 HA GLU 98 -1.987 6.047 -6.796 798 1HB GLU 98 HB2 GLU 98 -0.633 6.724 -4.750 799 2HB GLU 98 HB1 GLU 98 0.049 5.449 -5.747 800 1HG GLU 98 HG2 GLU 98 1.667 6.892 -6.668 801 2HG GLU 98 HG1 GLU 98 0.855 8.324 -6.039 802 H GLY 99 HN GLY 99 -0.322 9.089 -7.449 803 1HA GLY 99 HA2 GLY 99 -1.233 11.216 -7.564 804 2HA GLY 99 HA1 GLY 99 -2.770 10.554 -7.032 805 H GLN 100 HN GLN 100 0.027 9.861 -5.113 806 HA GLN 100 HA GLN 100 -0.569 12.084 -3.302 807 1HB GLN 100 HB2 GLN 100 -0.526 9.179 -2.464 808 2HB GLN 100 HB1 GLN 100 -0.588 10.546 -1.359 809 1HG GLN 100 HG2 GLN 100 -2.784 10.724 -1.572 810 2HG GLN 100 HG1 GLN 100 -2.681 10.720 -3.332 811 1HE2 GLN 100 1HE2 GLN 100 -2.988 8.741 -0.474 812 2HE2 GLN 100 2HE2 GLN 100 -3.588 7.332 -1.273 813 HA PRO 101 HA PRO 101 3.961 12.038 -4.033 814 1HB PRO 101 HB2 PRO 101 3.335 14.357 -2.237 815 2HB PRO 101 HB1 PRO 101 4.495 14.263 -3.570 816 1HG PRO 101 HG2 PRO 101 2.168 15.442 -3.953 817 2HG PRO 101 HG1 PRO 101 2.810 14.345 -5.192 818 1HD PRO 101 HD2 PRO 101 0.613 13.907 -3.227 819 2HD PRO 101 HD1 PRO 101 0.792 13.285 -4.880 820 H GLY 102 HN GLY 102 5.494 11.110 -2.775 821 1HA GLY 102 HA2 GLY 102 5.055 11.053 0.141 822 2HA GLY 102 HA1 GLY 102 5.411 9.569 -0.730 823 H GLU 103 HN GLU 103 7.068 9.982 1.218 824 HA GLU 103 HA GLU 103 9.560 10.730 -0.104 825 1HB GLU 103 HB2 GLU 103 8.550 12.659 1.339 826 2HB GLU 103 HB1 GLU 103 9.103 11.694 2.701 827 1HG GLU 103 HG2 GLU 103 11.381 11.780 1.862 828 2HG GLU 103 HG1 GLU 103 10.840 12.700 0.458 829 H TRP 104 HN TRP 104 11.466 9.854 0.986 830 HA TRP 104 HA TRP 104 11.081 7.203 1.849 831 1HB TRP 104 HB2 TRP 104 13.591 8.730 2.502 832 2HB TRP 104 HB1 TRP 104 13.419 7.047 2.017 833 HD1 TRP 104 HD1 TRP 104 11.684 7.583 -0.637 834 HE1 TRP 104 HE1 TRP 104 12.866 8.570 -2.702 835 HE3 TRP 104 HE3 TRP 104 15.741 9.670 1.668 836 HZ2 TRP 104 HZ2 TRP 104 15.208 10.038 -3.275 837 HZ3 TRP 104 HZ3 TRP 104 17.406 10.847 0.291 838 HH2 TRP 104 HH2 TRP 104 17.144 11.026 -2.130 839 H MET 105 HN MET 105 10.024 6.739 3.678 840 HA MET 105 HA MET 105 10.861 8.124 6.142 841 1HB MET 105 HB2 MET 105 8.249 6.835 6.304 842 2HB MET 105 HB1 MET 105 8.736 8.452 6.785 843 1HG MET 105 HG2 MET 105 8.570 9.144 4.404 844 2HG MET 105 HG1 MET 105 7.919 7.548 4.035 845 1HE MET 105 HE1 MET 105 5.750 11.184 5.270 846 2HE MET 105 HE2 MET 105 6.144 10.636 3.640 847 3HE MET 105 HE3 MET 105 7.435 10.958 4.797 848 H SER 106 HN SER 106 11.105 6.890 8.013 849 HA SER 106 HA SER 106 11.939 4.192 7.563 850 1HB SER 106 HB2 SER 106 12.477 6.155 9.475 851 2HB SER 106 HB1 SER 106 11.642 4.886 10.369 852 HG SER 106 HG SER 106 13.849 4.452 10.326 853 H LEU 107 HN LEU 107 10.591 2.535 7.409 854 HA LEU 107 HA LEU 107 7.915 2.678 8.476 855 1HB LEU 107 HB2 LEU 107 8.270 1.624 6.332 856 2HB LEU 107 HB1 LEU 107 9.384 0.469 7.041 857 HG LEU 107 HG LEU 107 7.420 -0.339 8.452 858 1HD1 LEU 107 1HD1 LEU 107 5.320 0.401 8.110 859 2HD1 LEU 107 2HD1 LEU 107 5.581 0.678 6.388 860 3HD1 LEU 107 3HD1 LEU 107 6.152 1.858 7.568 861 1HD2 LEU 107 1HD2 LEU 107 8.386 -1.176 6.085 862 2HD2 LEU 107 2HD2 LEU 107 6.709 -0.858 5.640 863 3HD2 LEU 107 3HD2 LEU 107 7.076 -1.983 6.947 864 H VAL 108 HN VAL 108 10.944 1.524 9.580 865 HA VAL 108 HA VAL 108 10.336 -0.634 11.174 866 HB VAL 108 HB VAL 108 12.189 1.601 12.001 867 1HG1 VAL 108 1HG1 VAL 108 12.103 -1.340 12.657 868 2HG1 VAL 108 2HG1 VAL 108 11.840 0.010 13.763 869 3HG1 VAL 108 3HG1 VAL 108 13.438 -0.264 13.070 870 1HG2 VAL 108 1HG2 VAL 108 13.078 1.176 9.948 871 2HG2 VAL 108 2HG2 VAL 108 12.416 -0.457 9.876 872 3HG2 VAL 108 3HG2 VAL 108 13.849 -0.128 10.850 873 H GLY 109 HN GLY 109 9.365 2.663 11.594 874 1HA GLY 109 HA2 GLY 109 8.077 1.900 14.131 875 2HA GLY 109 HA1 GLY 109 8.915 3.436 13.979 876 H LEU 110 HN LEU 110 6.708 1.720 11.781 877 HA LEU 110 HA LEU 110 5.357 4.053 10.975 878 1HB LEU 110 HB2 LEU 110 5.381 1.978 9.661 879 2HB LEU 110 HB1 LEU 110 4.414 1.186 10.891 880 HG LEU 110 HG LEU 110 3.290 3.655 9.687 881 1HD1 LEU 110 1HD1 LEU 110 3.392 1.021 8.224 882 2HD1 LEU 110 2HD1 LEU 110 4.187 2.515 7.731 883 3HD1 LEU 110 3HD1 LEU 110 2.427 2.422 7.761 884 1HD2 LEU 110 1HD2 LEU 110 2.142 0.978 10.469 885 2HD2 LEU 110 2HD2 LEU 110 1.215 2.367 9.900 886 3HD2 LEU 110 3HD2 LEU 110 2.088 2.456 11.428 887 H ASN 111 HN ASN 111 3.252 4.814 11.486 888 HA ASN 111 HA ASN 111 2.253 3.896 14.094 889 1HB ASN 111 HB2 ASN 111 3.210 6.470 13.324 890 2HB ASN 111 HB1 ASN 111 1.495 6.596 13.686 891 1HD2 ASN 111 1HD2 ASN 111 4.637 6.241 14.945 892 2HD2 ASN 111 2HD2 ASN 111 4.211 6.146 16.617 893 H ALA 112 HN ALA 112 0.150 3.505 14.324 894 HA ALA 112 HA ALA 112 -1.504 3.361 12.005 895 1HB ALA 112 HB1 ALA 112 -3.079 2.275 13.347 896 2HB ALA 112 HB2 ALA 112 -2.532 3.091 14.812 897 3HB ALA 112 HB3 ALA 112 -1.536 1.834 14.079 898 H ASP 113 HN ASP 113 -0.797 5.818 14.253 899 HA ASP 113 HA ASP 113 -3.322 7.182 14.130 900 1HB ASP 113 HB2 ASP 113 -0.851 7.438 15.595 901 2HB ASP 113 HB1 ASP 113 -1.333 9.001 14.941 902 H ASP 114 HN ASP 114 -0.094 7.758 12.726 903 HA ASP 114 HA ASP 114 -0.860 10.057 11.268 904 1HB ASP 114 HB2 ASP 114 1.296 8.865 9.896 905 2HB ASP 114 HB1 ASP 114 1.353 10.205 11.026 906 H PHE 115 HN PHE 115 -0.907 6.642 10.524 907 HA PHE 115 HA PHE 115 -1.566 7.100 7.741 908 1HB PHE 115 HB2 PHE 115 -1.003 4.920 7.447 909 2HB PHE 115 HB1 PHE 115 -0.325 5.047 9.068 910 HD1 PHE 115 HD1 PHE 115 -2.621 4.996 10.761 911 HD2 PHE 115 HD2 PHE 115 -1.876 2.802 7.211 912 HE1 PHE 115 HE1 PHE 115 -4.132 3.229 11.557 913 HE2 PHE 115 HE2 PHE 115 -3.386 1.026 7.989 914 HZ PHE 115 HZ PHE 115 -4.516 1.246 10.165 915 HA PRO 116 HA PRO 116 -5.975 6.867 8.053 916 1HB PRO 116 HB2 PRO 116 -6.775 4.955 6.308 917 2HB PRO 116 HB1 PRO 116 -6.128 6.514 5.785 918 1HG PRO 116 HG2 PRO 116 -4.759 3.860 5.969 919 2HG PRO 116 HG1 PRO 116 -4.659 5.084 4.690 920 1HD PRO 116 HD2 PRO 116 -2.756 4.788 6.601 921 2HD PRO 116 HD1 PRO 116 -3.131 6.352 5.852 922 HA PRO 117 HA PRO 117 -6.623 3.736 11.210 923 1HB PRO 117 HB2 PRO 117 -9.214 4.417 11.784 924 2HB PRO 117 HB1 PRO 117 -7.802 5.265 12.426 925 1HG PRO 117 HG2 PRO 117 -9.551 5.984 10.105 926 2HG PRO 117 HG1 PRO 117 -8.886 7.031 11.374 927 1HD PRO 117 HD2 PRO 117 -7.793 6.917 8.922 928 2HD PRO 117 HD1 PRO 117 -6.797 7.124 10.378 929 H ALA 118 HN ALA 118 -8.365 4.059 8.259 930 HA ALA 118 HA ALA 118 -10.169 1.891 8.621 931 1HB ALA 118 HB1 ALA 118 -9.353 3.633 6.381 932 2HB ALA 118 HB2 ALA 118 -10.963 3.204 6.959 933 3HB ALA 118 HB3 ALA 118 -10.054 2.068 5.961 934 H ASN 119 HN ASN 119 -6.847 1.939 8.188 935 HA ASN 119 HA ASN 119 -6.877 -0.813 7.130 936 1HB ASN 119 HB2 ASN 119 -5.360 1.569 6.365 937 2HB ASN 119 HB1 ASN 119 -4.345 0.151 6.610 938 1HD2 ASN 119 1HD2 ASN 119 -7.666 0.265 5.435 939 2HD2 ASN 119 2HD2 ASN 119 -7.325 -0.362 3.864 940 H GLU 120 HN GLU 120 -7.043 -0.002 9.924 941 HA GLU 120 HA GLU 120 -4.459 -0.325 11.109 942 1HB GLU 120 HB2 GLU 120 -7.048 0.455 11.983 943 2HB GLU 120 HB1 GLU 120 -6.498 -0.855 13.017 944 1HG GLU 120 HG2 GLU 120 -4.283 0.765 12.814 945 2HG GLU 120 HG1 GLU 120 -5.625 1.907 12.878 946 HA PRO 121 HA PRO 121 -6.592 -4.745 12.155 947 1HB PRO 121 HB2 PRO 121 -7.182 -5.099 9.240 948 2HB PRO 121 HB1 PRO 121 -7.986 -5.816 10.643 949 1HG PRO 121 HG2 PRO 121 -9.092 -3.765 9.363 950 2HG PRO 121 HG1 PRO 121 -9.160 -3.872 11.131 951 1HD PRO 121 HD2 PRO 121 -7.514 -2.101 9.402 952 2HD PRO 121 HD1 PRO 121 -8.159 -1.809 11.030 953 H VAL 122 HN VAL 122 -4.976 -3.868 9.118 954 HA VAL 122 HA VAL 122 -3.301 -6.198 9.123 955 HB VAL 122 HB VAL 122 -2.676 -3.741 7.526 956 1HG1 VAL 122 1HG1 VAL 122 -1.459 -5.123 6.230 957 2HG1 VAL 122 2HG1 VAL 122 -2.637 -6.432 6.338 958 3HG1 VAL 122 3HG1 VAL 122 -1.491 -6.164 7.651 959 1HG2 VAL 122 1HG2 VAL 122 -4.844 -3.750 6.861 960 2HG2 VAL 122 2HG2 VAL 122 -5.086 -5.444 7.296 961 3HG2 VAL 122 3HG2 VAL 122 -4.253 -5.027 5.798 962 H ILE 123 HN ILE 123 -2.763 -2.725 9.640 963 HA ILE 123 HA ILE 123 -0.037 -2.943 10.310 964 HB ILE 123 HB ILE 123 -2.021 -0.800 11.071 965 1HG1 ILE 123 2HG1 ILE 123 -1.393 -1.438 8.572 966 2HG1 ILE 123 1HG1 ILE 123 -1.569 0.239 9.072 967 1HG2 ILE 123 1HG2 ILE 123 0.970 -0.939 11.296 968 2HG2 ILE 123 2HG2 ILE 123 -0.211 -0.529 12.541 969 3HG2 ILE 123 3HG2 ILE 123 0.107 0.598 11.221 970 1HD1 ILE 123 1HD1 ILE 123 1.123 -0.947 9.315 971 2HD1 ILE 123 2HD1 ILE 123 0.629 0.682 8.849 972 3HD1 ILE 123 3HD1 ILE 123 0.515 -0.641 7.686 973 H ALA 124 HN ALA 124 -2.962 -3.234 12.217 974 HA ALA 124 HA ALA 124 -1.941 -2.901 14.777 975 1HB ALA 124 HB1 ALA 124 -4.265 -3.094 14.626 976 2HB ALA 124 HB2 ALA 124 -3.769 -4.591 15.417 977 3HB ALA 124 HB3 ALA 124 -4.174 -4.593 13.700 978 H LYS 125 HN LYS 125 -1.631 -5.550 12.540 979 HA LYS 125 HA LYS 125 -0.635 -7.428 14.473 980 1HB LYS 125 HB2 LYS 125 -1.119 -7.382 11.569 981 2HB LYS 125 HB1 LYS 125 0.217 -8.406 12.077 982 1HG LYS 125 HG2 LYS 125 -1.522 -9.887 12.157 983 2HG LYS 125 HG1 LYS 125 -1.520 -9.294 13.819 984 1HD LYS 125 HD2 LYS 125 -3.170 -7.494 12.785 985 2HD LYS 125 HD1 LYS 125 -3.454 -8.788 11.619 986 1HE LYS 125 HE2 LYS 125 -4.034 -10.312 13.422 987 2HE LYS 125 HE1 LYS 125 -3.687 -9.061 14.614 988 1HZ LYS 125 HZ1 LYS 125 -5.671 -8.530 12.514 989 2HZ LYS 125 HZ2 LYS 125 -5.572 -7.900 14.080 990 3HZ LYS 125 HZ3 LYS 125 -6.112 -9.484 13.839 991 H LEU 126 HN LEU 126 0.894 -5.491 11.899 992 HA LEU 126 HA LEU 126 3.542 -6.308 12.651 993 1HB LEU 126 HB2 LEU 126 2.764 -5.648 10.328 994 2HB LEU 126 HB1 LEU 126 2.802 -3.986 10.885 995 HG LEU 126 HG LEU 126 4.822 -4.707 9.594 996 1HD1 LEU 126 1HD1 LEU 126 5.934 -4.071 12.228 997 2HD1 LEU 126 2HD1 LEU 126 4.620 -3.014 11.709 998 3HD1 LEU 126 3HD1 LEU 126 6.054 -3.198 10.700 999 1HD2 LEU 126 1HD2 LEU 126 4.717 -6.981 11.028 1000 2HD2 LEU 126 2HD2 LEU 126 5.918 -6.085 11.957 1001 3HD2 LEU 126 3HD2 LEU 126 6.178 -6.389 10.239 1002 H LYS 127 HN LYS 127 1.462 -3.593 13.339 1003 HA LYS 127 HA LYS 127 3.268 -1.698 14.229 1004 1HB LYS 127 HB2 LYS 127 0.808 -1.426 13.978 1005 2HB LYS 127 HB1 LYS 127 0.592 -2.294 15.485 1006 1HG LYS 127 HG2 LYS 127 1.452 -0.576 16.755 1007 2HG LYS 127 HG1 LYS 127 2.343 0.121 15.399 1008 1HD LYS 127 HD2 LYS 127 0.655 1.610 15.358 1009 2HD LYS 127 HD1 LYS 127 -0.213 0.330 14.507 1010 1HE LYS 127 HE2 LYS 127 -0.279 0.211 17.456 1011 2HE LYS 127 HE1 LYS 127 -1.142 1.560 16.716 1012 1HZ LYS 127 HZ1 LYS 127 -2.364 -0.660 17.106 1013 2HZ LYS 127 HZ2 LYS 127 -1.553 -1.179 15.715 1014 3HZ LYS 127 HZ3 LYS 127 -2.593 0.152 15.638 1015 H ARG 128 HN ARG 128 1.839 -4.420 15.969 1016 HA ARG 128 HA ARG 128 3.078 -3.815 18.462 1017 1HB ARG 128 HB2 ARG 128 1.089 -5.188 18.418 1018 2HB ARG 128 HB1 ARG 128 1.871 -6.364 17.372 1019 1HG ARG 128 HG2 ARG 128 3.354 -7.034 19.132 1020 2HG ARG 128 HG1 ARG 128 2.766 -5.740 20.177 1021 1HD ARG 128 HD2 ARG 128 1.269 -8.172 19.225 1022 2HD ARG 128 HD1 ARG 128 1.714 -7.758 20.879 1023 HE ARG 128 HE ARG 128 0.153 -5.684 20.131 1024 1HH1 ARG 128 1HH1 ARG 128 -0.281 -9.145 20.029 1025 2HH1 ARG 128 2HH1 ARG 128 -2.000 -9.060 20.215 1026 1HH2 ARG 128 1HH2 ARG 128 -2.108 -5.571 20.377 1027 2HH2 ARG 128 2HH2 ARG 128 -3.037 -7.031 20.413 1028 H LEU 129 HN LEU 129 4.301 -4.853 15.543 1029 HA LEU 129 HA LEU 129 6.231 -5.855 14.857 1030 1HB LEU 129 HB2 LEU 129 7.318 -4.870 17.487 1031 2HB LEU 129 HB1 LEU 129 8.214 -5.164 16.009 1032 HG LEU 129 HG LEU 129 6.290 -3.286 15.278 1033 1HD1 LEU 129 1HD1 LEU 129 6.277 -1.573 16.870 1034 2HD1 LEU 129 2HD1 LEU 129 7.570 -2.315 17.811 1035 3HD1 LEU 129 3HD1 LEU 129 5.963 -3.041 17.797 1036 1HD2 LEU 129 1HD2 LEU 129 8.252 -1.743 15.204 1037 2HD2 LEU 129 2HD2 LEU 129 8.519 -3.297 14.414 1038 3HD2 LEU 129 3HD2 LEU 129 9.198 -2.993 16.013 1039 1HO1 MO2 130 1HO1 MO2 130 -6.936 3.886 -10.488 1040 2HO1 MO2 130 2HO1 MO2 130 -4.833 4.667 -8.646 1041 1HO2 MO2 130 1HO2 MO2 130 -6.510 3.143 -11.735 1042 2HO2 MO2 130 2HO2 MO2 130 -3.713 3.904 -7.973 1043 1H5* 8OG 131 1H5* 8OG 131 -12.735 4.566 -3.688 1044 2H5* 8OG 131 2H5* 8OG 131 -12.349 4.676 -1.998 1045 H4* 8OG 131 1H4* 8OG 131 -10.745 3.365 -4.182 1046 H3* 8OG 131 1H3* 8OG 131 -12.750 2.297 -2.491 1047 1H2* 8OG 131 1H2* 8OG 131 -11.596 1.183 -0.933 1048 2H2* 8OG 131 2H2* 8OG 131 -10.650 0.392 -2.173 1049 H1* 8OG 131 1H1* 8OG 131 -8.894 1.663 -1.742 1050 H1 8OG 131 H1 8OG 131 -5.526 1.561 3.168 1051 H7 8OG 131 H7 8OG 131 -10.299 2.998 2.994 1052 1H2 8OG 131 H21 8OG 131 -4.670 0.833 -0.145 1053 2H2 8OG 131 H22 8OG 131 -4.141 0.902 1.504 1054 H3T 8OG 131 *HO1 8OG 131 -11.010 1.068 -4.422 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -24.384 -5.715 -3.189 2 2H MET 1 HT2 MET 1 -23.565 -6.374 -1.833 3 3H MET 1 HT3 MET 1 -25.074 -7.027 -2.328 4 HA MET 1 HA MET 1 -23.023 -8.295 -2.922 5 1HB MET 1 HB2 MET 1 -25.301 -8.610 -3.864 6 2HB MET 1 HB1 MET 1 -24.928 -7.422 -5.105 7 1HG MET 1 HG2 MET 1 -23.501 -8.829 -6.221 8 2HG MET 1 HG1 MET 1 -23.152 -9.789 -4.785 9 1HE MET 1 HE1 MET 1 -24.130 -12.459 -6.696 10 2HE MET 1 HE2 MET 1 -23.251 -11.005 -7.168 11 3HE MET 1 HE3 MET 1 -24.750 -11.437 -7.992 12 H LYS 2 HN LYS 2 -22.074 -5.538 -2.860 13 HA LYS 2 HA LYS 2 -20.724 -5.365 -5.469 14 1HB LYS 2 HB2 LYS 2 -22.140 -3.415 -4.339 15 2HB LYS 2 HB1 LYS 2 -20.613 -3.117 -3.519 16 1HG LYS 2 HG2 LYS 2 -19.605 -2.345 -5.379 17 2HG LYS 2 HG1 LYS 2 -20.452 -3.475 -6.437 18 1HD LYS 2 HD2 LYS 2 -22.520 -1.942 -5.691 19 2HD LYS 2 HD1 LYS 2 -21.219 -0.758 -5.549 20 1HE LYS 2 HE2 LYS 2 -20.841 -0.702 -7.784 21 2HE LYS 2 HE1 LYS 2 -21.242 -2.406 -8.002 22 1HZ LYS 2 HZ1 LYS 2 -23.561 -1.886 -7.883 23 2HZ LYS 2 HZ2 LYS 2 -22.851 -0.872 -9.036 24 3HZ LYS 2 HZ3 LYS 2 -23.241 -0.267 -7.506 25 H LYS 3 HN LYS 3 -18.831 -6.395 -5.378 26 HA LYS 3 HA LYS 3 -17.201 -6.156 -2.948 27 1HB LYS 3 HB2 LYS 3 -15.972 -8.099 -3.761 28 2HB LYS 3 HB1 LYS 3 -17.695 -8.444 -3.697 29 1HG LYS 3 HG2 LYS 3 -17.339 -9.278 -5.748 30 2HG LYS 3 HG1 LYS 3 -17.473 -7.590 -6.243 31 1HD LYS 3 HD2 LYS 3 -15.483 -8.023 -7.228 32 2HD LYS 3 HD1 LYS 3 -14.862 -7.672 -5.614 33 1HE LYS 3 HE2 LYS 3 -15.035 -10.120 -5.115 34 2HE LYS 3 HE1 LYS 3 -15.425 -10.378 -6.814 35 1HZ LYS 3 HZ1 LYS 3 -13.309 -9.622 -7.468 36 2HZ LYS 3 HZ2 LYS 3 -13.030 -10.677 -6.177 37 3HZ LYS 3 HZ3 LYS 3 -12.952 -9.006 -5.933 38 H LEU 4 HN LEU 4 -15.048 -5.506 -3.043 39 HA LEU 4 HA LEU 4 -13.985 -4.584 -5.594 40 1HB LEU 4 HB2 LEU 4 -13.347 -2.388 -4.447 41 2HB LEU 4 HB1 LEU 4 -15.006 -2.583 -4.982 42 HG LEU 4 HG LEU 4 -15.357 -3.414 -2.496 43 1HD1 LEU 4 1HD1 LEU 4 -12.699 -2.824 -2.365 44 2HD1 LEU 4 2HD1 LEU 4 -13.797 -2.885 -0.984 45 3HD1 LEU 4 3HD1 LEU 4 -13.436 -1.342 -1.755 46 1HD2 LEU 4 1HD2 LEU 4 -15.043 -0.479 -2.673 47 2HD2 LEU 4 2HD2 LEU 4 -16.424 -1.446 -2.156 48 3HD2 LEU 4 3HD2 LEU 4 -16.085 -1.244 -3.874 49 H GLN 5 HN GLN 5 -11.836 -4.807 -5.740 50 HA GLN 5 HA GLN 5 -10.416 -5.805 -3.387 51 1HB GLN 5 HB2 GLN 5 -9.575 -5.965 -6.275 52 2HB GLN 5 HB1 GLN 5 -8.857 -6.818 -4.915 53 1HG GLN 5 HG2 GLN 5 -11.151 -7.874 -4.597 54 2HG GLN 5 HG1 GLN 5 -11.525 -7.244 -6.191 55 1HE2 GLN 5 1HE2 GLN 5 -9.313 -9.323 -4.419 56 2HE2 GLN 5 2HE2 GLN 5 -8.917 -10.351 -5.750 57 H ILE 6 HN ILE 6 -8.333 -5.138 -2.893 58 HA ILE 6 HA ILE 6 -7.231 -2.795 -4.211 59 HB ILE 6 HB ILE 6 -8.075 -2.823 -1.316 60 1HG1 ILE 6 2HG1 ILE 6 -9.750 -2.014 -2.879 61 2HG1 ILE 6 1HG1 ILE 6 -9.115 -0.664 -1.946 62 1HG2 ILE 6 1HG2 ILE 6 -5.944 -1.970 -1.076 63 2HG2 ILE 6 2HG2 ILE 6 -6.895 -0.509 -1.348 64 3HG2 ILE 6 3HG2 ILE 6 -5.956 -1.210 -2.668 65 1HD1 ILE 6 1HD1 ILE 6 -7.514 -0.830 -4.228 66 2HD1 ILE 6 2HD1 ILE 6 -8.730 0.388 -3.845 67 3HD1 ILE 6 3HD1 ILE 6 -9.176 -1.041 -4.777 68 H ALA 7 HN ALA 7 -5.054 -2.965 -4.341 69 HA ALA 7 HA ALA 7 -3.721 -4.815 -2.460 70 1HB ALA 7 HB1 ALA 7 -2.122 -5.011 -4.611 71 2HB ALA 7 HB2 ALA 7 -3.667 -4.747 -5.412 72 3HB ALA 7 HB3 ALA 7 -3.470 -6.103 -4.304 73 H VAL 8 HN VAL 8 -2.122 -3.891 -1.330 74 HA VAL 8 HA VAL 8 -0.926 -1.450 -2.445 75 HB VAL 8 HB VAL 8 -1.198 -0.312 -0.556 76 1HG1 VAL 8 1HG1 VAL 8 -3.419 -1.271 -0.761 77 2HG1 VAL 8 2HG1 VAL 8 -3.003 -1.036 0.937 78 3HG1 VAL 8 3HG1 VAL 8 -2.936 -2.649 0.227 79 1HG2 VAL 8 1HG2 VAL 8 -0.722 -1.215 1.705 80 2HG2 VAL 8 2HG2 VAL 8 0.615 -1.424 0.571 81 3HG2 VAL 8 3HG2 VAL 8 -0.423 -2.791 0.975 82 H GLY 9 HN GLY 9 1.243 -0.945 -1.717 83 1HA GLY 9 HA2 GLY 9 2.849 -3.184 -0.784 84 2HA GLY 9 HA1 GLY 9 3.179 -2.614 -2.408 85 H ILE 10 HN ILE 10 3.967 -2.256 0.806 86 HA ILE 10 HA ILE 10 4.626 0.537 0.785 87 HB ILE 10 HB ILE 10 6.225 -0.777 2.732 88 1HG1 ILE 10 2HG1 ILE 10 3.364 -1.762 2.697 89 2HG1 ILE 10 1HG1 ILE 10 4.808 -2.752 2.512 90 1HG2 ILE 10 1HG2 ILE 10 5.206 1.475 2.829 91 2HG2 ILE 10 2HG2 ILE 10 4.929 0.516 4.283 92 3HG2 ILE 10 3HG2 ILE 10 3.638 0.714 3.099 93 1HD1 ILE 10 1HD1 ILE 10 5.456 -2.343 4.772 94 2HD1 ILE 10 2HD1 ILE 10 3.770 -2.861 4.760 95 3HD1 ILE 10 3HD1 ILE 10 4.167 -1.156 4.977 96 H ILE 11 HN ILE 11 6.081 1.223 -0.647 97 HA ILE 11 HA ILE 11 8.220 -0.382 -1.609 98 HB ILE 11 HB ILE 11 8.282 2.582 -1.913 99 1HG1 ILE 11 2HG1 ILE 11 6.235 0.703 -3.079 100 2HG1 ILE 11 1HG1 ILE 11 5.980 2.274 -2.328 101 1HG2 ILE 11 1HG2 ILE 11 9.522 2.146 -3.757 102 2HG2 ILE 11 2HG2 ILE 11 8.608 0.693 -4.162 103 3HG2 ILE 11 3HG2 ILE 11 9.836 0.637 -2.899 104 1HD1 ILE 11 1HD1 ILE 11 7.294 1.803 -4.991 105 2HD1 ILE 11 2HD1 ILE 11 6.982 3.371 -4.246 106 3HD1 ILE 11 3HD1 ILE 11 5.635 2.345 -4.739 107 H ARG 12 HN ARG 12 10.149 -0.718 -0.804 108 HA ARG 12 HA ARG 12 11.050 0.839 1.492 109 1HB ARG 12 HB2 ARG 12 11.470 -1.881 0.503 110 2HB ARG 12 HB1 ARG 12 12.947 -1.114 1.067 111 1HG ARG 12 HG2 ARG 12 10.864 -0.606 2.942 112 2HG ARG 12 HG1 ARG 12 10.924 -2.331 2.590 113 1HD ARG 12 HD2 ARG 12 13.282 -0.640 3.404 114 2HD ARG 12 HD1 ARG 12 12.370 -1.693 4.485 115 HE ARG 12 HE ARG 12 14.353 -2.480 2.560 116 1HH1 ARG 12 1HH1 ARG 12 11.561 -3.525 4.373 117 2HH1 ARG 12 2HH1 ARG 12 11.982 -5.203 4.296 118 1HH2 ARG 12 1HH2 ARG 12 14.910 -4.687 2.459 119 2HH2 ARG 12 2HH2 ARG 12 13.884 -5.862 3.210 120 H ASN 13 HN ASN 13 12.767 2.129 1.515 121 HA ASN 13 HA ASN 13 14.037 2.740 -1.041 122 1HB ASN 13 HB2 ASN 13 15.047 4.663 0.366 123 2HB ASN 13 HB1 ASN 13 13.337 4.718 -0.023 124 1HD2 ASN 13 1HD2 ASN 13 12.010 5.111 1.576 125 2HD2 ASN 13 2HD2 ASN 13 12.351 4.901 3.254 126 H GLU 14 HN GLU 14 16.402 3.744 -0.452 127 HA GLU 14 HA GLU 14 18.040 1.443 -0.079 128 1HB GLU 14 HB2 GLU 14 18.625 3.116 -1.711 129 2HB GLU 14 HB1 GLU 14 18.662 4.368 -0.473 130 1HG GLU 14 HG2 GLU 14 20.897 3.569 -1.255 131 2HG GLU 14 HG1 GLU 14 20.640 3.477 0.486 132 H ASN 15 HN ASN 15 16.617 3.354 2.226 133 HA ASN 15 HA ASN 15 18.873 2.956 4.082 134 1HB ASN 15 HB2 ASN 15 18.286 5.353 3.591 135 2HB ASN 15 HB1 ASN 15 16.720 5.059 4.341 136 1HD2 ASN 15 1HD2 ASN 15 20.062 4.178 5.151 137 2HD2 ASN 15 2HD2 ASN 15 20.017 4.811 6.758 138 H ASN 16 HN ASN 16 17.043 0.913 3.587 139 HA ASN 16 HA ASN 16 15.522 -0.490 4.556 140 1HB ASN 16 HB2 ASN 16 15.971 -1.029 6.859 141 2HB ASN 16 HB1 ASN 16 17.502 -0.657 6.075 142 1HD2 ASN 16 1HD2 ASN 16 18.753 0.888 6.908 143 2HD2 ASN 16 2HD2 ASN 16 18.312 1.922 8.219 144 H GLU 17 HN GLU 17 14.691 2.323 4.144 145 HA GLU 17 HA GLU 17 12.532 2.455 6.136 146 1HB GLU 17 HB2 GLU 17 13.883 4.660 4.573 147 2HB GLU 17 HB1 GLU 17 12.380 4.892 5.442 148 1HG GLU 17 HG2 GLU 17 13.823 3.878 7.426 149 2HG GLU 17 HG1 GLU 17 15.133 4.555 6.462 150 H ILE 18 HN ILE 18 10.435 3.267 5.237 151 HA ILE 18 HA ILE 18 10.139 2.341 2.455 152 HB ILE 18 HB ILE 18 8.938 1.379 4.781 153 1HG1 ILE 18 2HG1 ILE 18 7.585 0.641 2.295 154 2HG1 ILE 18 1HG1 ILE 18 9.340 0.566 2.196 155 1HG2 ILE 18 1HG2 ILE 18 6.558 1.678 4.445 156 2HG2 ILE 18 2HG2 ILE 18 6.866 2.737 3.069 157 3HG2 ILE 18 3HG2 ILE 18 7.342 3.237 4.693 158 1HD1 ILE 18 1HD1 ILE 18 9.352 -0.867 4.205 159 2HD1 ILE 18 2HD1 ILE 18 8.492 -1.576 2.838 160 3HD1 ILE 18 3HD1 ILE 18 7.590 -0.862 4.175 161 H PHE 19 HN PHE 19 9.024 3.532 1.010 162 HA PHE 19 HA PHE 19 8.505 6.290 1.677 163 1HB PHE 19 HB2 PHE 19 9.363 6.377 -0.409 164 2HB PHE 19 HB1 PHE 19 8.951 4.705 -0.745 165 HD1 PHE 19 HD1 PHE 19 7.070 4.147 -2.050 166 HD2 PHE 19 HD2 PHE 19 7.662 8.166 -0.780 167 HE1 PHE 19 HE1 PHE 19 5.316 4.892 -3.607 168 HE2 PHE 19 HE2 PHE 19 5.905 8.915 -2.334 169 HZ PHE 19 HZ PHE 19 4.730 7.278 -3.746 170 H ILE 20 HN ILE 20 6.680 6.536 2.869 171 HA ILE 20 HA ILE 20 4.185 5.435 1.777 172 HB ILE 20 HB ILE 20 3.563 6.161 4.325 173 1HG1 ILE 20 2HG1 ILE 20 6.267 4.848 4.537 174 2HG1 ILE 20 1HG1 ILE 20 6.021 6.579 4.734 175 1HG2 ILE 20 1HG2 ILE 20 3.436 3.922 2.843 176 2HG2 ILE 20 2HG2 ILE 20 3.004 3.991 4.552 177 3HG2 ILE 20 3HG2 ILE 20 4.602 3.423 4.069 178 1HD1 ILE 20 1HD1 ILE 20 4.200 5.100 6.394 179 2HD1 ILE 20 2HD1 ILE 20 5.403 6.311 6.839 180 3HD1 ILE 20 3HD1 ILE 20 5.869 4.616 6.694 181 H THR 21 HN THR 21 3.011 6.965 0.803 182 HA THR 21 HA THR 21 3.461 9.755 1.281 183 HB THR 21 HB THR 21 2.899 8.913 -0.953 184 HG1 THR 21 HG1 THR 21 1.109 10.727 0.255 185 1HG2 THR 21 1HG2 THR 21 1.215 7.194 -0.027 186 2HG2 THR 21 2HG2 THR 21 0.888 7.978 -1.571 187 3HG2 THR 21 3HG2 THR 21 0.064 8.528 -0.112 188 H ARG 22 HN ARG 22 2.523 10.985 2.769 189 HA ARG 22 HA ARG 22 0.338 9.914 4.350 190 1HB ARG 22 HB2 ARG 22 2.233 11.036 5.455 191 2HB ARG 22 HB1 ARG 22 1.842 12.526 4.607 192 1HG ARG 22 HG2 ARG 22 0.275 13.073 6.087 193 2HG ARG 22 HG1 ARG 22 -0.433 11.457 6.057 194 1HD ARG 22 HD2 ARG 22 0.344 11.925 8.282 195 2HD ARG 22 HD1 ARG 22 1.376 10.689 7.565 196 HE ARG 22 HE ARG 22 2.382 13.362 7.245 197 1HH1 ARG 22 1HH1 ARG 22 2.262 10.585 9.355 198 2HH1 ARG 22 2HH1 ARG 22 3.729 10.992 10.180 199 1HH2 ARG 22 1HH2 ARG 22 4.312 13.900 8.330 200 2HH2 ARG 22 2HH2 ARG 22 4.892 12.874 9.599 201 H ARG 23 HN ARG 23 -1.313 9.952 2.753 202 HA ARG 23 HA ARG 23 -2.993 10.844 1.486 203 1HB ARG 23 HB2 ARG 23 -2.965 12.140 4.093 204 2HB ARG 23 HB1 ARG 23 -3.743 13.133 2.869 205 1HG ARG 23 HG2 ARG 23 -4.454 10.266 3.440 206 2HG ARG 23 HG1 ARG 23 -5.306 11.665 4.095 207 1HD ARG 23 HD2 ARG 23 -5.554 12.383 1.631 208 2HD ARG 23 HD1 ARG 23 -5.145 10.710 1.258 209 HE ARG 23 HE ARG 23 -7.617 11.693 2.353 210 1HH1 ARG 23 1HH1 ARG 23 -5.535 8.912 2.019 211 2HH1 ARG 23 2HH1 ARG 23 -6.815 7.769 2.250 212 1HH2 ARG 23 1HH2 ARG 23 -9.302 10.191 2.656 213 2HH2 ARG 23 2HH2 ARG 23 -8.954 8.495 2.611 214 H ALA 24 HN ALA 24 -0.686 11.484 0.318 215 HA ALA 24 HA ALA 24 0.198 12.844 -1.270 216 1HB ALA 24 HB1 ALA 24 -2.550 13.803 -1.011 217 2HB ALA 24 HB2 ALA 24 -1.590 13.479 -2.455 218 3HB ALA 24 HB3 ALA 24 -1.426 15.020 -1.614 219 H ALA 25 HN ALA 25 -1.400 15.535 0.368 220 HA ALA 25 HA ALA 25 0.625 16.235 2.155 221 1HB ALA 25 HB1 ALA 25 2.158 17.441 1.042 222 2HB ALA 25 HB2 ALA 25 0.965 18.138 -0.054 223 3HB ALA 25 HB3 ALA 25 1.605 16.523 -0.358 224 H ASP 26 HN ASP 26 -1.763 17.445 -0.145 225 HA ASP 26 HA ASP 26 -2.318 19.855 1.254 226 1HB ASP 26 HB2 ASP 26 -4.414 19.851 -0.170 227 2HB ASP 26 HB1 ASP 26 -2.893 19.778 -1.055 228 H ALA 27 HN ALA 27 -2.347 18.564 3.379 229 HA ALA 27 HA ALA 27 -3.466 17.740 5.179 230 1HB ALA 27 HB1 ALA 27 -5.859 18.647 5.376 231 2HB ALA 27 HB2 ALA 27 -5.512 19.494 3.868 232 3HB ALA 27 HB3 ALA 27 -4.534 19.808 5.301 233 H HIS 28 HN HIS 28 -6.470 17.705 3.364 234 HA HIS 28 HA HIS 28 -7.960 16.001 3.035 235 1HB HIS 28 HB2 HIS 28 -5.410 15.190 1.722 236 2HB HIS 28 HB1 HIS 28 -6.710 14.006 1.795 237 HD1 HIS 28 HD1 HIS 28 -6.844 17.739 1.055 238 HD2 HIS 28 HD2 HIS 28 -7.847 14.088 -0.658 239 HE1 HIS 28 HE1 HIS 28 -8.015 18.305 -1.098 240 HE2 HIS 28 HE2 HIS 28 -8.692 16.082 -2.071 241 H MET 29 HN MET 29 -7.275 15.958 5.638 242 HA MET 29 HA MET 29 -7.323 14.652 7.499 243 1HB MET 29 HB2 MET 29 -8.308 12.823 5.375 244 2HB MET 29 HB1 MET 29 -7.812 12.088 6.893 245 1HG MET 29 HG2 MET 29 -9.344 13.724 8.045 246 2HG MET 29 HG1 MET 29 -9.961 14.136 6.447 247 1HE MET 29 HE1 MET 29 -12.226 11.916 8.884 248 2HE MET 29 HE2 MET 29 -10.867 12.978 9.252 249 3HE MET 29 HE3 MET 29 -10.680 11.229 9.383 250 H ALA 30 HN ALA 30 -5.172 14.884 8.042 251 HA ALA 30 HA ALA 30 -3.045 13.456 6.867 252 1HB ALA 30 HB1 ALA 30 -1.718 14.608 8.279 253 2HB ALA 30 HB2 ALA 30 -2.734 14.271 9.680 254 3HB ALA 30 HB3 ALA 30 -3.186 15.548 8.551 255 H ASN 31 HN ASN 31 -5.498 12.383 8.941 256 HA ASN 31 HA ASN 31 -3.904 10.327 10.217 257 1HB ASN 31 HB2 ASN 31 -6.483 11.551 10.655 258 2HB ASN 31 HB1 ASN 31 -6.625 9.796 10.666 259 1HD2 ASN 31 1HD2 ASN 31 -4.090 12.027 11.752 260 2HD2 ASN 31 2HD2 ASN 31 -4.027 11.435 13.374 261 H LYS 32 HN LYS 32 -4.676 10.523 7.173 262 HA LYS 32 HA LYS 32 -5.627 7.754 6.961 263 1HB LYS 32 HB2 LYS 32 -6.441 10.165 5.584 264 2HB LYS 32 HB1 LYS 32 -5.942 8.919 4.450 265 1HG LYS 32 HG2 LYS 32 -8.030 8.168 4.632 266 2HG LYS 32 HG1 LYS 32 -7.510 7.513 6.186 267 1HD LYS 32 HD2 LYS 32 -8.134 9.889 7.072 268 2HD LYS 32 HD1 LYS 32 -9.102 9.974 5.599 269 1HE LYS 32 HE2 LYS 32 -10.627 8.522 6.376 270 2HE LYS 32 HE1 LYS 32 -9.404 7.473 7.092 271 1HZ LYS 32 HZ1 LYS 32 -9.318 9.640 8.690 272 2HZ LYS 32 HZ2 LYS 32 -10.210 8.239 9.015 273 3HZ LYS 32 HZ3 LYS 32 -10.964 9.574 8.302 274 H LEU 33 HN LEU 33 -2.885 8.711 7.292 275 HA LEU 33 HA LEU 33 -1.326 8.727 5.035 276 1HB LEU 33 HB2 LEU 33 -0.732 8.855 7.570 277 2HB LEU 33 HB1 LEU 33 -0.507 7.126 7.427 278 HG LEU 33 HG LEU 33 1.062 9.323 6.106 279 1HD1 LEU 33 1HD1 LEU 33 1.451 8.054 8.457 280 2HD1 LEU 33 2HD1 LEU 33 2.746 8.728 7.467 281 3HD1 LEU 33 3HD1 LEU 33 2.362 7.010 7.368 282 1HD2 LEU 33 1HD2 LEU 33 1.111 6.383 5.424 283 2HD2 LEU 33 2HD2 LEU 33 2.270 7.586 4.859 284 3HD2 LEU 33 3HD2 LEU 33 0.580 7.693 4.369 285 H GLU 34 HN GLU 34 -1.207 7.362 3.365 286 HA GLU 34 HA GLU 34 -1.155 4.490 3.868 287 1HB GLU 34 HB2 GLU 34 -3.257 5.918 2.301 288 2HB GLU 34 HB1 GLU 34 -2.716 4.344 1.735 289 1HG GLU 34 HG2 GLU 34 -3.711 4.859 4.524 290 2HG GLU 34 HG1 GLU 34 -4.738 4.315 3.198 291 H PHE 35 HN PHE 35 -0.700 3.295 1.720 292 HA PHE 35 HA PHE 35 1.232 4.903 0.183 293 1HB PHE 35 HB2 PHE 35 2.102 2.298 -0.093 294 2HB PHE 35 HB1 PHE 35 2.782 3.501 0.993 295 HD1 PHE 35 HD1 PHE 35 1.641 0.252 0.800 296 HD2 PHE 35 HD2 PHE 35 1.397 3.682 3.307 297 HE1 PHE 35 HE1 PHE 35 1.107 -1.192 2.719 298 HE2 PHE 35 HE2 PHE 35 0.861 2.244 5.229 299 HZ PHE 35 HZ PHE 35 0.716 -0.197 4.937 300 HA PRO 36 HA PRO 36 -0.275 3.894 -3.822 301 1HB PRO 36 HB2 PRO 36 1.744 2.158 -4.767 302 2HB PRO 36 HB1 PRO 36 1.654 3.903 -4.998 303 1HG PRO 36 HG2 PRO 36 3.192 2.335 -2.997 304 2HG PRO 36 HG1 PRO 36 3.601 3.870 -3.783 305 1HD PRO 36 HD2 PRO 36 2.801 3.798 -1.241 306 2HD PRO 36 HD1 PRO 36 2.289 5.110 -2.320 307 H GLY 37 HN GLY 37 -0.959 2.096 -5.266 308 1HA GLY 37 HA2 GLY 37 -1.425 -0.239 -5.577 309 2HA GLY 37 HA1 GLY 37 -1.261 -0.449 -3.862 310 H GLY 38 HN GLY 38 -3.173 1.491 -6.024 311 1HA GLY 38 HA2 GLY 38 -5.620 0.584 -4.670 312 2HA GLY 38 HA1 GLY 38 -5.363 2.292 -5.019 313 H LYS 39 HN LYS 39 -7.220 -0.064 -5.998 314 HA LYS 39 HA LYS 39 -8.604 -0.067 -7.833 315 1HB LYS 39 HB2 LYS 39 -7.759 2.147 -8.546 316 2HB LYS 39 HB1 LYS 39 -6.417 1.350 -9.350 317 1HG LYS 39 HG2 LYS 39 -7.636 0.835 -11.126 318 2HG LYS 39 HG1 LYS 39 -8.981 0.257 -10.143 319 1HD LYS 39 HD2 LYS 39 -8.374 3.133 -10.839 320 2HD LYS 39 HD1 LYS 39 -9.671 2.148 -11.517 321 1HE LYS 39 HE2 LYS 39 -9.384 3.183 -8.707 322 2HE LYS 39 HE1 LYS 39 -10.674 3.505 -9.864 323 1HZ LYS 39 HZ1 LYS 39 -11.392 1.222 -9.678 324 2HZ LYS 39 HZ2 LYS 39 -11.342 1.927 -8.140 325 3HZ LYS 39 HZ3 LYS 39 -10.119 0.865 -8.623 326 H ILE 40 HN ILE 40 -6.015 -1.765 -7.146 327 HA ILE 40 HA ILE 40 -5.197 -3.010 -9.501 328 HB ILE 40 HB ILE 40 -4.279 -4.733 -8.247 329 1HG1 ILE 40 2HG1 ILE 40 -5.722 -4.345 -5.708 330 2HG1 ILE 40 1HG1 ILE 40 -6.734 -4.931 -7.020 331 1HG2 ILE 40 1HG2 ILE 40 -4.336 -2.849 -5.984 332 2HG2 ILE 40 2HG2 ILE 40 -3.826 -2.193 -7.536 333 3HG2 ILE 40 3HG2 ILE 40 -2.968 -3.565 -6.834 334 1HD1 ILE 40 1HD1 ILE 40 -5.150 -6.453 -5.367 335 2HD1 ILE 40 2HD1 ILE 40 -4.237 -6.372 -6.874 336 3HD1 ILE 40 3HD1 ILE 40 -5.896 -6.967 -6.879 337 H GLU 41 HN GLU 41 -8.038 -3.275 -7.647 338 HA GLU 41 HA GLU 41 -9.164 -5.659 -8.194 339 1HB GLU 41 HB2 GLU 41 -11.368 -4.245 -8.439 340 2HB GLU 41 HB1 GLU 41 -10.511 -4.322 -6.910 341 1HG GLU 41 HG2 GLU 41 -10.309 -2.127 -6.881 342 2HG GLU 41 HG1 GLU 41 -9.449 -2.144 -8.410 343 H MET 42 HN MET 42 -10.178 -2.916 -10.192 344 HA MET 42 HA MET 42 -11.057 -2.947 -12.329 345 1HB MET 42 HB2 MET 42 -8.222 -3.938 -12.602 346 2HB MET 42 HB1 MET 42 -9.212 -3.505 -13.991 347 1HG MET 42 HG2 MET 42 -9.055 -1.495 -11.845 348 2HG MET 42 HG1 MET 42 -7.563 -1.805 -12.731 349 1HE MET 42 HE1 MET 42 -11.477 -1.118 -13.407 350 2HE MET 42 HE2 MET 42 -10.920 -2.471 -14.391 351 3HE MET 42 HE3 MET 42 -11.364 -0.946 -15.158 352 H GLY 43 HN GLY 43 -8.980 -5.750 -12.870 353 1HA GLY 43 HA2 GLY 43 -11.023 -7.709 -12.738 354 2HA GLY 43 HA1 GLY 43 -10.813 -7.162 -14.385 355 H GLU 44 HN GLU 44 -8.223 -7.343 -12.082 356 HA GLU 44 HA GLU 44 -6.857 -9.234 -13.840 357 1HB GLU 44 HB2 GLU 44 -6.022 -7.233 -11.833 358 2HB GLU 44 HB1 GLU 44 -5.029 -8.681 -11.925 359 1HG GLU 44 HG2 GLU 44 -4.120 -8.081 -13.870 360 2HG GLU 44 HG1 GLU 44 -5.660 -7.532 -14.530 361 H THR 45 HN THR 45 -5.176 -10.606 -12.270 362 HA THR 45 HA THR 45 -6.995 -12.334 -10.759 363 HB THR 45 HB THR 45 -4.290 -13.344 -11.038 364 HG1 THR 45 HG1 THR 45 -5.635 -12.729 -13.455 365 1HG2 THR 45 1HG2 THR 45 -5.753 -14.960 -12.591 366 2HG2 THR 45 2HG2 THR 45 -7.030 -14.249 -11.604 367 3HG2 THR 45 3HG2 THR 45 -5.684 -15.089 -10.833 368 HA PRO 46 HA PRO 46 -5.635 -11.371 -6.684 369 1HB PRO 46 HB2 PRO 46 -4.609 -13.932 -5.993 370 2HB PRO 46 HB1 PRO 46 -6.207 -13.282 -5.625 371 1HG PRO 46 HG2 PRO 46 -5.360 -15.083 -7.827 372 2HG PRO 46 HG1 PRO 46 -6.914 -14.990 -6.979 373 1HD PRO 46 HD2 PRO 46 -6.650 -14.054 -9.461 374 2HD PRO 46 HD1 PRO 46 -7.649 -13.197 -8.270 375 H GLU 47 HN GLU 47 -3.462 -12.995 -8.900 376 HA GLU 47 HA GLU 47 -1.152 -12.056 -7.358 377 1HB GLU 47 HB2 GLU 47 -1.652 -14.333 -9.139 378 2HB GLU 47 HB1 GLU 47 -0.111 -13.534 -9.416 379 1HG GLU 47 HG2 GLU 47 0.662 -14.843 -7.795 380 2HG GLU 47 HG1 GLU 47 -0.168 -13.745 -6.693 381 H GLN 48 HN GLN 48 -2.556 -11.933 -10.629 382 HA GLN 48 HA GLN 48 -0.459 -10.209 -11.598 383 1HB GLN 48 HB2 GLN 48 -3.019 -11.267 -12.759 384 2HB GLN 48 HB1 GLN 48 -2.110 -10.009 -13.584 385 1HG GLN 48 HG2 GLN 48 -0.822 -12.580 -12.744 386 2HG GLN 48 HG1 GLN 48 -1.699 -12.433 -14.266 387 1HE2 GLN 48 1HE2 GLN 48 1.126 -11.532 -12.483 388 2HE2 GLN 48 2HE2 GLN 48 1.994 -10.832 -13.803 389 H ALA 49 HN ALA 49 -3.297 -9.722 -9.814 390 HA ALA 49 HA ALA 49 -4.200 -7.267 -10.812 391 1HB ALA 49 HB1 ALA 49 -5.377 -8.752 -9.158 392 2HB ALA 49 HB2 ALA 49 -5.407 -7.029 -8.789 393 3HB ALA 49 HB3 ALA 49 -4.301 -8.096 -7.924 394 H VAL 50 HN VAL 50 -1.969 -7.923 -8.112 395 HA VAL 50 HA VAL 50 -1.329 -5.132 -7.858 396 HB VAL 50 HB VAL 50 -0.239 -5.629 -5.939 397 1HG1 VAL 50 1HG1 VAL 50 -1.222 -8.393 -5.840 398 2HG1 VAL 50 2HG1 VAL 50 -2.434 -7.180 -6.256 399 3HG1 VAL 50 3HG1 VAL 50 -1.522 -7.035 -4.756 400 1HG2 VAL 50 1HG2 VAL 50 1.176 -7.630 -5.580 401 2HG2 VAL 50 2HG2 VAL 50 1.682 -6.659 -6.962 402 3HG2 VAL 50 3HG2 VAL 50 0.790 -8.159 -7.217 403 H VAL 51 HN VAL 51 0.323 -8.013 -9.095 404 HA VAL 51 HA VAL 51 2.790 -6.886 -9.671 405 HB VAL 51 HB VAL 51 1.399 -9.022 -11.291 406 1HG1 VAL 51 1HG1 VAL 51 4.075 -9.605 -11.245 407 2HG1 VAL 51 2HG1 VAL 51 4.073 -7.845 -11.363 408 3HG1 VAL 51 3HG1 VAL 51 3.224 -8.810 -12.570 409 1HG2 VAL 51 1HG2 VAL 51 1.924 -10.576 -9.728 410 2HG2 VAL 51 2HG2 VAL 51 1.804 -9.189 -8.645 411 3HG2 VAL 51 3HG2 VAL 51 3.383 -9.728 -9.216 412 H ARG 52 HN ARG 52 -0.137 -6.970 -11.660 413 HA ARG 52 HA ARG 52 1.150 -5.628 -13.839 414 1HB ARG 52 HB2 ARG 52 -0.938 -7.235 -13.835 415 2HB ARG 52 HB1 ARG 52 -1.827 -5.741 -13.570 416 1HG ARG 52 HG2 ARG 52 -1.688 -5.202 -15.714 417 2HG ARG 52 HG1 ARG 52 0.064 -5.410 -15.709 418 1HD ARG 52 HD2 ARG 52 -0.873 -6.906 -17.330 419 2HD ARG 52 HD1 ARG 52 -0.282 -7.856 -15.968 420 HE ARG 52 HE ARG 52 -2.929 -7.392 -15.424 421 1HH1 ARG 52 1HH1 ARG 52 -1.142 -8.875 -18.030 422 2HH1 ARG 52 2HH1 ARG 52 -2.411 -9.982 -18.436 423 1HH2 ARG 52 1HH2 ARG 52 -4.598 -8.848 -15.958 424 2HH2 ARG 52 2HH2 ARG 52 -4.373 -9.966 -17.261 425 H GLU 53 HN GLU 53 -1.300 -4.700 -11.446 426 HA GLU 53 HA GLU 53 -1.464 -2.010 -12.305 427 1HB GLU 53 HB2 GLU 53 -2.999 -3.531 -10.718 428 2HB GLU 53 HB1 GLU 53 -2.102 -2.658 -9.483 429 1HG GLU 53 HG2 GLU 53 -3.039 -0.865 -11.529 430 2HG GLU 53 HG1 GLU 53 -4.368 -1.808 -10.858 431 H LEU 54 HN LEU 54 0.831 -3.692 -10.364 432 HA LEU 54 HA LEU 54 1.729 -1.670 -8.666 433 1HB LEU 54 HB2 LEU 54 2.659 -4.231 -9.522 434 2HB LEU 54 HB1 LEU 54 3.993 -3.106 -9.625 435 HG LEU 54 HG LEU 54 3.909 -2.619 -7.312 436 1HD1 LEU 54 1HD1 LEU 54 1.953 -2.471 -6.276 437 2HD1 LEU 54 2HD1 LEU 54 1.897 -4.233 -6.222 438 3HD1 LEU 54 3HD1 LEU 54 1.147 -3.367 -7.563 439 1HD2 LEU 54 1HD2 LEU 54 3.710 -5.118 -6.399 440 2HD2 LEU 54 2HD2 LEU 54 5.085 -4.550 -7.347 441 3HD2 LEU 54 3HD2 LEU 54 3.788 -5.455 -8.127 442 H GLN 55 HN GLN 55 2.647 -2.435 -11.999 443 HA GLN 55 HA GLN 55 4.608 -0.434 -12.269 444 1HB GLN 55 HB2 GLN 55 3.277 -2.338 -13.968 445 2HB GLN 55 HB1 GLN 55 3.304 -0.775 -14.774 446 1HG GLN 55 HG2 GLN 55 5.539 -0.805 -15.059 447 2HG GLN 55 HG1 GLN 55 5.834 -1.635 -13.532 448 1HE2 GLN 55 1HE2 GLN 55 6.404 -3.688 -13.627 449 2HE2 GLN 55 2HE2 GLN 55 6.213 -4.731 -14.991 450 H GLU 56 HN GLU 56 1.130 -0.411 -12.463 451 HA GLU 56 HA GLU 56 0.920 2.235 -13.569 452 1HB GLU 56 HB2 GLU 56 -0.816 0.266 -13.555 453 2HB GLU 56 HB1 GLU 56 -1.264 0.923 -11.994 454 1HG GLU 56 HG2 GLU 56 -1.077 2.928 -14.107 455 2HG GLU 56 HG1 GLU 56 -2.304 1.694 -14.390 456 H GLU 57 HN GLU 57 1.272 0.804 -10.437 457 HA GLU 57 HA GLU 57 0.668 3.368 -9.159 458 1HB GLU 57 HB2 GLU 57 0.248 0.592 -8.410 459 2HB GLU 57 HB1 GLU 57 1.049 1.503 -7.137 460 1HG GLU 57 HG2 GLU 57 -1.446 1.438 -7.007 461 2HG GLU 57 HG1 GLU 57 -0.733 3.049 -6.992 462 H VAL 58 HN VAL 58 3.263 2.027 -10.452 463 HA VAL 58 HA VAL 58 5.056 3.139 -8.412 464 HB VAL 58 HB VAL 58 4.890 0.397 -9.018 465 1HG1 VAL 58 1HG1 VAL 58 7.126 -0.139 -9.887 466 2HG1 VAL 58 2HG1 VAL 58 7.385 1.570 -10.228 467 3HG1 VAL 58 3HG1 VAL 58 6.115 0.686 -11.071 468 1HG2 VAL 58 1HG2 VAL 58 5.615 0.931 -6.906 469 2HG2 VAL 58 2HG2 VAL 58 6.758 2.141 -7.486 470 3HG2 VAL 58 3HG2 VAL 58 7.124 0.426 -7.665 471 H GLY 59 HN GLY 59 4.659 2.042 -11.742 472 1HA GLY 59 HA2 GLY 59 5.327 2.948 -13.713 473 2HA GLY 59 HA1 GLY 59 5.602 4.438 -12.855 474 H ILE 60 HN ILE 60 7.636 3.394 -11.130 475 HA ILE 60 HA ILE 60 9.836 3.522 -12.992 476 HB ILE 60 HB ILE 60 10.974 3.146 -10.497 477 1HG1 ILE 60 2HG1 ILE 60 9.829 4.940 -9.129 478 2HG1 ILE 60 1HG1 ILE 60 8.455 4.772 -10.213 479 1HG2 ILE 60 1HG2 ILE 60 11.402 4.798 -12.428 480 2HG2 ILE 60 2HG2 ILE 60 11.823 5.277 -10.783 481 3HG2 ILE 60 3HG2 ILE 60 10.338 5.876 -11.523 482 1HD1 ILE 60 1HD1 ILE 60 7.718 3.164 -8.882 483 2HD1 ILE 60 2HD1 ILE 60 9.215 3.182 -7.952 484 3HD1 ILE 60 3HD1 ILE 60 9.087 2.180 -9.398 485 H THR 61 HN THR 61 11.833 2.107 -11.950 486 HA THR 61 HA THR 61 10.896 -0.667 -12.136 487 HB THR 61 HB THR 61 13.474 -0.826 -12.762 488 HG1 THR 61 HG1 THR 61 14.036 1.277 -12.581 489 1HG2 THR 61 1HG2 THR 61 11.480 0.225 -14.747 490 2HG2 THR 61 2HG2 THR 61 11.596 -1.464 -14.245 491 3HG2 THR 61 3HG2 THR 61 12.940 -0.704 -15.099 492 HA PRO 62 HA PRO 62 12.994 -0.590 -8.084 493 1HB PRO 62 HB2 PRO 62 10.926 -0.796 -6.505 494 2HB PRO 62 HB1 PRO 62 11.061 0.651 -7.515 495 1HG PRO 62 HG2 PRO 62 9.294 -1.727 -7.855 496 2HG PRO 62 HG1 PRO 62 8.966 -0.023 -8.217 497 1HD PRO 62 HD2 PRO 62 9.930 -2.052 -10.012 498 2HD PRO 62 HD1 PRO 62 9.638 -0.337 -10.347 499 H GLN 63 HN GLN 63 13.740 -2.326 -6.848 500 HA GLN 63 HA GLN 63 12.884 -4.977 -7.615 501 1HB GLN 63 HB2 GLN 63 14.579 -4.340 -5.201 502 2HB GLN 63 HB1 GLN 63 14.579 -5.800 -6.179 503 1HG GLN 63 HG2 GLN 63 15.658 -4.672 -7.985 504 2HG GLN 63 HG1 GLN 63 15.505 -3.118 -7.168 505 1HE2 GLN 63 1HE2 GLN 63 16.502 -6.275 -5.926 506 2HE2 GLN 63 2HE2 GLN 63 18.072 -5.774 -5.409 507 H HIS 64 HN HIS 64 10.709 -4.602 -7.172 508 HA HIS 64 HA HIS 64 9.954 -4.630 -4.327 509 1HB HIS 64 HB2 HIS 64 9.171 -2.590 -5.211 510 2HB HIS 64 HB1 HIS 64 8.821 -3.311 -6.752 511 HD1 HIS 64 HD1 HIS 64 7.412 -5.054 -3.801 512 HD2 HIS 64 HD2 HIS 64 6.216 -2.201 -6.573 513 HE1 HIS 64 HE1 HIS 64 4.913 -4.913 -3.583 514 HE2 HIS 64 HE2 HIS 64 4.221 -3.118 -5.207 515 H PHE 65 HN PHE 65 8.890 -6.403 -3.639 516 HA PHE 65 HA PHE 65 6.959 -7.801 -5.127 517 1HB PHE 65 HB2 PHE 65 9.186 -8.314 -6.328 518 2HB PHE 65 HB1 PHE 65 9.513 -9.320 -4.932 519 HD1 PHE 65 HD1 PHE 65 8.624 -11.494 -4.783 520 HD2 PHE 65 HD2 PHE 65 7.108 -8.778 -7.687 521 HE1 PHE 65 HE1 PHE 65 7.337 -13.320 -5.816 522 HE2 PHE 65 HE2 PHE 65 5.818 -10.597 -8.724 523 HZ PHE 65 HZ PHE 65 5.931 -12.871 -7.789 524 H SER 66 HN SER 66 6.431 -9.957 -4.157 525 HA SER 66 HA SER 66 6.159 -11.427 -2.423 526 1HB SER 66 HB2 SER 66 8.673 -10.606 -1.884 527 2HB SER 66 HB1 SER 66 7.839 -9.945 -0.478 528 HG SER 66 HG SER 66 6.917 -12.155 -0.298 529 H LEU 67 HN LEU 67 4.797 -11.521 -0.594 530 HA LEU 67 HA LEU 67 3.494 -8.957 -0.024 531 1HB LEU 67 HB2 LEU 67 1.482 -10.092 0.359 532 2HB LEU 67 HB1 LEU 67 2.172 -10.847 -1.063 533 HG LEU 67 HG LEU 67 3.130 -12.528 0.785 534 1HD1 LEU 67 1HD1 LEU 67 0.656 -11.315 1.985 535 2HD1 LEU 67 2HD1 LEU 67 2.239 -11.535 2.729 536 3HD1 LEU 67 3HD1 LEU 67 1.218 -12.934 2.398 537 1HD2 LEU 67 1HD2 LEU 67 1.801 -13.136 -1.169 538 2HD2 LEU 67 2HD2 LEU 67 0.335 -12.600 -0.348 539 3HD2 LEU 67 3HD2 LEU 67 1.236 -13.986 0.269 540 H PHE 68 HN PHE 68 3.545 -8.106 1.938 541 HA PHE 68 HA PHE 68 5.036 -9.436 4.010 542 1HB PHE 68 HB2 PHE 68 5.561 -7.307 4.449 543 2HB PHE 68 HB1 PHE 68 4.331 -6.736 3.331 544 HD1 PHE 68 HD1 PHE 68 1.886 -6.713 4.288 545 HD2 PHE 68 HD2 PHE 68 5.411 -6.742 6.667 546 HE1 PHE 68 HE1 PHE 68 0.615 -5.767 6.168 547 HE2 PHE 68 HE2 PHE 68 4.149 -5.799 8.552 548 HZ PHE 68 HZ PHE 68 1.751 -5.304 8.309 549 H GLU 69 HN GLU 69 1.698 -8.515 3.408 550 HA GLU 69 HA GLU 69 0.654 -10.546 5.077 551 1HB GLU 69 HB2 GLU 69 1.459 -8.452 6.585 552 2HB GLU 69 HB1 GLU 69 -0.173 -7.928 6.189 553 1HG GLU 69 HG2 GLU 69 -0.758 -10.394 6.938 554 2HG GLU 69 HG1 GLU 69 0.743 -10.209 7.847 555 H LYS 70 HN LYS 70 -1.739 -10.504 5.122 556 HA LYS 70 HA LYS 70 -2.951 -8.653 3.213 557 1HB LYS 70 HB2 LYS 70 -4.085 -10.556 2.051 558 2HB LYS 70 HB1 LYS 70 -2.348 -10.484 1.791 559 1HG LYS 70 HG2 LYS 70 -1.941 -12.354 3.090 560 2HG LYS 70 HG1 LYS 70 -3.472 -12.207 3.957 561 1HD LYS 70 HD2 LYS 70 -4.006 -13.932 2.565 562 2HD LYS 70 HD1 LYS 70 -4.454 -12.580 1.521 563 1HE LYS 70 HE2 LYS 70 -3.145 -13.632 0.021 564 2HE LYS 70 HE1 LYS 70 -1.838 -12.840 0.900 565 1HZ LYS 70 HZ1 LYS 70 -2.758 -15.641 1.109 566 2HZ LYS 70 HZ2 LYS 70 -1.834 -14.925 2.331 567 3HZ LYS 70 HZ3 LYS 70 -1.205 -15.063 0.767 568 H LEU 71 HN LEU 71 -4.942 -8.032 3.791 569 HA LEU 71 HA LEU 71 -6.290 -9.542 5.927 570 1HB LEU 71 HB2 LEU 71 -5.635 -7.496 6.879 571 2HB LEU 71 HB1 LEU 71 -6.028 -6.593 5.431 572 HG LEU 71 HG LEU 71 -8.422 -7.803 6.390 573 1HD1 LEU 71 1HD1 LEU 71 -8.496 -7.506 8.599 574 2HD1 LEU 71 2HD1 LEU 71 -7.655 -5.959 8.509 575 3HD1 LEU 71 3HD1 LEU 71 -6.734 -7.463 8.522 576 1HD2 LEU 71 1HD2 LEU 71 -8.973 -5.315 6.748 577 2HD2 LEU 71 2HD2 LEU 71 -8.605 -5.868 5.114 578 3HD2 LEU 71 3HD2 LEU 71 -7.379 -5.016 6.054 579 H GLU 72 HN GLU 72 -8.299 -10.251 5.522 580 HA GLU 72 HA GLU 72 -9.707 -9.160 3.179 581 1HB GLU 72 HB2 GLU 72 -9.061 -11.286 2.459 582 2HB GLU 72 HB1 GLU 72 -9.278 -11.999 4.050 583 1HG GLU 72 HG2 GLU 72 -11.639 -11.984 3.824 584 2HG GLU 72 HG1 GLU 72 -11.553 -11.011 2.357 585 H TYR 73 HN TYR 73 -11.363 -8.004 3.922 586 HA TYR 73 HA TYR 73 -13.184 -9.244 5.847 587 1HB TYR 73 HB2 TYR 73 -11.729 -7.773 7.170 588 2HB TYR 73 HB1 TYR 73 -12.124 -6.421 6.112 589 HD1 TYR 73 HD1 TYR 73 -13.781 -4.964 6.793 590 HD2 TYR 73 HD2 TYR 73 -13.842 -8.960 8.254 591 HE1 TYR 73 HE1 TYR 73 -15.701 -4.406 8.222 592 HE2 TYR 73 HE2 TYR 73 -15.764 -8.413 9.687 593 HH TYR 73 HH TYR 73 -17.718 -6.008 9.305 594 H GLU 74 HN GLU 74 -15.344 -8.496 5.713 595 HA GLU 74 HA GLU 74 -15.908 -6.880 3.316 596 1HB GLU 74 HB2 GLU 74 -18.105 -8.231 3.265 597 2HB GLU 74 HB1 GLU 74 -16.637 -8.995 2.674 598 1HG GLU 74 HG2 GLU 74 -16.471 -9.875 5.131 599 2HG GLU 74 HG1 GLU 74 -18.199 -9.538 5.149 600 H PHE 75 HN PHE 75 -16.944 -5.081 3.676 601 HA PHE 75 HA PHE 75 -17.906 -4.345 6.246 602 1HB PHE 75 HB2 PHE 75 -17.414 -3.063 3.699 603 2HB PHE 75 HB1 PHE 75 -18.945 -2.528 4.378 604 HD1 PHE 75 HD1 PHE 75 -18.671 -0.448 5.309 605 HD2 PHE 75 HD2 PHE 75 -15.669 -3.398 5.931 606 HE1 PHE 75 HE1 PHE 75 -17.468 1.097 6.800 607 HE2 PHE 75 HE2 PHE 75 -14.461 -1.859 7.423 608 HZ PHE 75 HZ PHE 75 -15.360 0.391 7.860 609 HA PRO 76 HA PRO 76 -22.165 -5.445 6.374 610 1HB PRO 76 HB2 PRO 76 -23.413 -2.948 6.546 611 2HB PRO 76 HB1 PRO 76 -22.811 -3.899 7.905 612 1HG PRO 76 HG2 PRO 76 -21.529 -1.622 6.467 613 2HG PRO 76 HG1 PRO 76 -21.496 -2.023 8.195 614 1HD PRO 76 HD2 PRO 76 -19.396 -2.519 6.621 615 2HD PRO 76 HD1 PRO 76 -19.854 -3.649 7.911 616 H ASP 77 HN ASP 77 -21.995 -6.128 4.152 617 HA ASP 77 HA ASP 77 -23.338 -6.393 2.259 618 1HB ASP 77 HB2 ASP 77 -24.831 -4.503 3.194 619 2HB ASP 77 HB1 ASP 77 -23.878 -3.435 2.167 620 H ARG 78 HN ARG 78 -20.502 -5.295 2.781 621 HA ARG 78 HA ARG 78 -19.915 -4.797 -0.045 622 1HB ARG 78 HB2 ARG 78 -19.910 -2.614 1.091 623 2HB ARG 78 HB1 ARG 78 -18.745 -3.223 2.256 624 1HG ARG 78 HG2 ARG 78 -17.082 -3.474 0.527 625 2HG ARG 78 HG1 ARG 78 -18.251 -2.992 -0.704 626 1HD ARG 78 HD2 ARG 78 -18.034 -0.805 -0.230 627 2HD ARG 78 HD1 ARG 78 -17.961 -1.090 1.509 628 HE ARG 78 HE ARG 78 -15.574 -1.909 0.161 629 1HH1 ARG 78 1HH1 ARG 78 -17.257 0.842 1.497 630 2HH1 ARG 78 2HH1 ARG 78 -15.810 1.753 1.770 631 1HH2 ARG 78 1HH2 ARG 78 -13.668 -0.710 0.520 632 2HH2 ARG 78 2HH2 ARG 78 -13.772 0.873 1.216 633 H HIS 79 HN HIS 79 -17.850 -5.501 -0.723 634 HA HIS 79 HA HIS 79 -16.456 -7.234 1.210 635 1HB HIS 79 HB2 HIS 79 -17.050 -7.683 -1.713 636 2HB HIS 79 HB1 HIS 79 -15.803 -8.587 -0.860 637 HD1 HIS 79 HD1 HIS 79 -19.474 -7.787 -0.197 638 HD2 HIS 79 HD2 HIS 79 -16.781 -10.945 -0.004 639 HE1 HIS 79 HE1 HIS 79 -20.809 -9.760 0.607 640 HE2 HIS 79 HE2 HIS 79 -19.178 -11.680 0.632 641 H ILE 80 HN ILE 80 -14.872 -5.781 1.780 642 HA ILE 80 HA ILE 80 -13.250 -4.616 -0.352 643 HB ILE 80 HB ILE 80 -13.905 -2.955 1.189 644 1HG1 ILE 80 2HG1 ILE 80 -11.144 -3.822 2.049 645 2HG1 ILE 80 1HG1 ILE 80 -11.500 -2.924 0.578 646 1HG2 ILE 80 1HG2 ILE 80 -14.727 -4.223 3.008 647 2HG2 ILE 80 2HG2 ILE 80 -13.443 -3.203 3.655 648 3HG2 ILE 80 3HG2 ILE 80 -13.138 -4.912 3.340 649 1HD1 ILE 80 1HD1 ILE 80 -11.756 -2.011 3.423 650 2HD1 ILE 80 2HD1 ILE 80 -12.507 -1.151 2.078 651 3HD1 ILE 80 3HD1 ILE 80 -10.754 -1.338 2.137 652 H THR 81 HN THR 81 -11.586 -5.804 -0.983 653 HA THR 81 HA THR 81 -10.245 -7.567 0.933 654 HB THR 81 HB THR 81 -9.095 -7.815 -1.650 655 HG1 THR 81 HG1 THR 81 -11.119 -8.397 -2.754 656 1HG2 THR 81 1HG2 THR 81 -9.256 -9.727 -0.298 657 2HG2 THR 81 2HG2 THR 81 -10.346 -10.004 -1.658 658 3HG2 THR 81 3HG2 THR 81 -10.996 -9.529 -0.089 659 H LEU 82 HN LEU 82 -8.478 -6.848 1.924 660 HA LEU 82 HA LEU 82 -6.907 -4.727 0.624 661 1HB LEU 82 HB2 LEU 82 -7.960 -4.131 2.770 662 2HB LEU 82 HB1 LEU 82 -7.101 -5.447 3.547 663 HG LEU 82 HG LEU 82 -5.000 -4.138 2.529 664 1HD1 LEU 82 1HD1 LEU 82 -5.277 -1.924 2.171 665 2HD1 LEU 82 2HD1 LEU 82 -6.578 -1.783 3.354 666 3HD1 LEU 82 3HD1 LEU 82 -6.912 -2.436 1.750 667 1HD2 LEU 82 1HD2 LEU 82 -5.467 -4.773 4.897 668 2HD2 LEU 82 2HD2 LEU 82 -6.378 -3.273 5.066 669 3HD2 LEU 82 3HD2 LEU 82 -4.651 -3.222 4.711 670 H TRP 83 HN TRP 83 -5.102 -5.438 -0.284 671 HA TRP 83 HA TRP 83 -3.675 -7.687 0.974 672 1HB TRP 83 HB2 TRP 83 -3.621 -6.716 -1.893 673 2HB TRP 83 HB1 TRP 83 -2.595 -7.996 -1.254 674 HD1 TRP 83 HD1 TRP 83 -6.332 -7.632 -0.469 675 HE1 TRP 83 HE1 TRP 83 -7.560 -9.706 -1.351 676 HE3 TRP 83 HE3 TRP 83 -2.437 -9.904 -2.859 677 HZ2 TRP 83 HZ2 TRP 83 -6.955 -12.016 -2.865 678 HZ3 TRP 83 HZ3 TRP 83 -2.841 -12.046 -4.001 679 HH2 TRP 83 HH2 TRP 83 -5.054 -13.079 -4.002 680 H PHE 84 HN PHE 84 -1.856 -7.233 1.960 681 HA PHE 84 HA PHE 84 -0.498 -4.702 1.327 682 1HB PHE 84 HB2 PHE 84 -0.833 -6.261 3.835 683 2HB PHE 84 HB1 PHE 84 0.697 -5.421 3.618 684 HD1 PHE 84 HD1 PHE 84 0.304 -3.941 5.494 685 HD2 PHE 84 HD2 PHE 84 -2.406 -4.091 2.211 686 HE1 PHE 84 HE1 PHE 84 -0.736 -1.849 6.259 687 HE2 PHE 84 HE2 PHE 84 -3.448 -1.998 2.973 688 HZ PHE 84 HZ PHE 84 -2.614 -0.874 4.999 689 H TRP 85 HN TRP 85 1.093 -4.972 -0.081 690 HA TRP 85 HA TRP 85 2.614 -7.462 -0.050 691 1HB TRP 85 HB2 TRP 85 2.340 -5.292 -2.122 692 2HB TRP 85 HB1 TRP 85 3.482 -6.627 -2.271 693 HD1 TRP 85 HD1 TRP 85 -0.339 -6.263 -1.633 694 HE1 TRP 85 HE1 TRP 85 -1.537 -8.128 -2.938 695 HE3 TRP 85 HE3 TRP 85 3.742 -8.611 -3.624 696 HZ2 TRP 85 HZ2 TRP 85 -0.844 -10.307 -4.594 697 HZ3 TRP 85 HZ3 TRP 85 3.389 -10.579 -5.057 698 HH2 TRP 85 HH2 TRP 85 1.142 -11.408 -5.532 699 H LEU 86 HN LEU 86 4.854 -7.542 -0.036 700 HA LEU 86 HA LEU 86 6.101 -5.301 1.359 701 1HB LEU 86 HB2 LEU 86 6.293 -7.447 2.430 702 2HB LEU 86 HB1 LEU 86 6.957 -8.164 0.973 703 HG LEU 86 HG LEU 86 8.912 -6.555 1.234 704 1HD1 LEU 86 1HD1 LEU 86 7.503 -6.128 3.847 705 2HD1 LEU 86 2HD1 LEU 86 8.127 -4.927 2.717 706 3HD1 LEU 86 3HD1 LEU 86 9.243 -5.897 3.680 707 1HD2 LEU 86 1HD2 LEU 86 9.530 -8.693 1.726 708 2HD2 LEU 86 2HD2 LEU 86 8.277 -8.893 2.951 709 3HD2 LEU 86 3HD2 LEU 86 9.731 -7.964 3.319 710 H VAL 87 HN VAL 87 7.812 -4.195 0.621 711 HA VAL 87 HA VAL 87 8.868 -4.834 -2.065 712 HB VAL 87 HB VAL 87 8.549 -2.093 -0.894 713 1HG1 VAL 87 1HG1 VAL 87 10.151 -1.741 -2.447 714 2HG1 VAL 87 2HG1 VAL 87 8.758 -1.686 -3.526 715 3HG1 VAL 87 3HG1 VAL 87 9.706 -3.164 -3.384 716 1HG2 VAL 87 1HG2 VAL 87 6.383 -2.213 -1.450 717 2HG2 VAL 87 2HG2 VAL 87 6.617 -3.823 -2.139 718 3HG2 VAL 87 3HG2 VAL 87 6.878 -2.391 -3.135 719 H GLU 88 HN GLU 88 11.104 -4.521 -2.373 720 HA GLU 88 HA GLU 88 12.479 -4.024 0.178 721 1HB GLU 88 HB2 GLU 88 13.862 -5.468 -2.036 722 2HB GLU 88 HB1 GLU 88 14.070 -5.623 -0.298 723 1HG GLU 88 HG2 GLU 88 11.926 -6.782 -0.143 724 2HG GLU 88 HG1 GLU 88 11.720 -6.628 -1.887 725 H ARG 89 HN ARG 89 12.363 -2.913 -3.141 726 HA ARG 89 HA ARG 89 14.075 -0.722 -2.436 727 1HB ARG 89 HB2 ARG 89 15.934 -2.013 -2.841 728 2HB ARG 89 HB1 ARG 89 15.120 -3.012 -4.028 729 1HG ARG 89 HG2 ARG 89 16.627 -1.862 -5.318 730 2HG ARG 89 HG1 ARG 89 15.188 -0.864 -5.499 731 1HD ARG 89 HD2 ARG 89 16.096 0.490 -3.530 732 2HD ARG 89 HD1 ARG 89 17.609 -0.374 -3.787 733 HE ARG 89 HE ARG 89 16.810 0.702 -6.234 734 1HH1 ARG 89 1HH1 ARG 89 17.867 1.810 -3.099 735 2HH1 ARG 89 2HH1 ARG 89 18.582 3.262 -3.714 736 1HH2 ARG 89 1HH2 ARG 89 17.754 2.610 -7.045 737 2HH2 ARG 89 2HH2 ARG 89 18.516 3.716 -5.954 738 H TRP 90 HN TRP 90 14.360 0.829 -4.236 739 HA TRP 90 HA TRP 90 12.765 0.476 -6.576 740 1HB TRP 90 HB2 TRP 90 10.985 1.861 -6.168 741 2HB TRP 90 HB1 TRP 90 11.248 1.229 -4.553 742 HD1 TRP 90 HD1 TRP 90 12.284 4.358 -6.610 743 HE1 TRP 90 HE1 TRP 90 12.283 6.372 -5.009 744 HE3 TRP 90 HE3 TRP 90 11.164 1.923 -2.258 745 HZ2 TRP 90 HZ2 TRP 90 11.845 6.865 -2.271 746 HZ3 TRP 90 HZ3 TRP 90 10.963 3.246 -0.190 747 HH2 TRP 90 HH2 TRP 90 11.302 5.665 -0.198 748 H GLU 91 HN GLU 91 13.757 1.423 -8.216 749 HA GLU 91 HA GLU 91 15.985 3.157 -7.735 750 1HB GLU 91 HB2 GLU 91 16.001 1.510 -9.552 751 2HB GLU 91 HB1 GLU 91 14.663 2.346 -10.329 752 1HG GLU 91 HG2 GLU 91 15.982 4.154 -10.943 753 2HG GLU 91 HG1 GLU 91 17.226 3.773 -9.752 754 H GLY 92 HN GLY 92 16.247 5.309 -8.306 755 1HA GLY 92 HA2 GLY 92 15.620 7.506 -8.518 756 2HA GLY 92 HA1 GLY 92 14.415 6.919 -9.655 757 H GLU 93 HN GLU 93 12.501 7.729 -9.162 758 HA GLU 93 HA GLU 93 11.671 7.728 -6.337 759 1HB GLU 93 HB2 GLU 93 11.092 9.810 -8.449 760 2HB GLU 93 HB1 GLU 93 10.296 9.752 -6.881 761 1HG GLU 93 HG2 GLU 93 12.723 9.804 -5.951 762 2HG GLU 93 HG1 GLU 93 13.120 10.439 -7.547 763 HA PRO 94 HA PRO 94 8.239 5.361 -7.858 764 1HB PRO 94 HB2 PRO 94 6.698 6.033 -5.499 765 2HB PRO 94 HB1 PRO 94 7.503 4.513 -5.888 766 1HG PRO 94 HG2 PRO 94 8.302 6.166 -3.870 767 2HG PRO 94 HG1 PRO 94 9.397 5.072 -4.735 768 1HD PRO 94 HD2 PRO 94 8.965 8.013 -5.112 769 2HD PRO 94 HD1 PRO 94 10.483 7.089 -5.105 770 H TRP 95 HN TRP 95 6.686 5.923 -9.278 771 HA TRP 95 HA TRP 95 5.110 8.319 -8.673 772 1HB TRP 95 HB2 TRP 95 5.129 8.882 -11.116 773 2HB TRP 95 HB1 TRP 95 6.667 9.091 -10.294 774 HD1 TRP 95 HD1 TRP 95 8.681 7.570 -11.070 775 HE1 TRP 95 HE1 TRP 95 9.085 6.141 -13.178 776 HE3 TRP 95 HE3 TRP 95 3.863 7.197 -12.717 777 HZ2 TRP 95 HZ2 TRP 95 7.555 5.032 -15.270 778 HZ3 TRP 95 HZ3 TRP 95 3.418 5.945 -14.785 779 HH2 TRP 95 HH2 TRP 95 5.225 4.874 -16.027 780 H GLY 96 HN GLY 96 5.301 5.616 -10.974 781 1HA GLY 96 HA2 GLY 96 3.611 4.392 -11.980 782 2HA GLY 96 HA1 GLY 96 3.014 4.284 -10.337 783 H LYS 97 HN LYS 97 1.266 5.497 -9.695 784 HA LYS 97 HA LYS 97 0.165 7.664 -11.071 785 1HB LYS 97 HB2 LYS 97 -0.200 5.434 -12.576 786 2HB LYS 97 HB1 LYS 97 -1.664 5.408 -11.603 787 1HG LYS 97 HG2 LYS 97 -0.722 7.649 -13.379 788 2HG LYS 97 HG1 LYS 97 -2.079 6.559 -13.673 789 1HD LYS 97 HD2 LYS 97 -3.357 7.506 -11.949 790 2HD LYS 97 HD1 LYS 97 -1.953 8.287 -11.220 791 1HE LYS 97 HE2 LYS 97 -3.553 9.786 -12.500 792 2HE LYS 97 HE1 LYS 97 -1.845 9.913 -12.916 793 1HZ LYS 97 HZ1 LYS 97 -3.272 9.849 -14.879 794 2HZ LYS 97 HZ2 LYS 97 -3.855 8.329 -14.423 795 3HZ LYS 97 HZ3 LYS 97 -2.227 8.521 -14.835 796 H GLU 98 HN GLU 98 0.613 6.712 -8.383 797 HA GLU 98 HA GLU 98 -1.933 6.059 -7.214 798 1HB GLU 98 HB2 GLU 98 -0.701 6.520 -5.052 799 2HB GLU 98 HB1 GLU 98 -0.014 5.255 -6.063 800 1HG GLU 98 HG2 GLU 98 1.775 6.609 -6.736 801 2HG GLU 98 HG1 GLU 98 0.986 8.079 -6.166 802 H GLY 99 HN GLY 99 0.014 8.955 -7.675 803 1HA GLY 99 HA2 GLY 99 -0.668 11.161 -7.739 804 2HA GLY 99 HA1 GLY 99 -2.301 10.629 -7.380 805 H GLN 100 HN GLN 100 0.438 9.799 -5.351 806 HA GLN 100 HA GLN 100 -0.326 11.868 -3.425 807 1HB GLN 100 HB2 GLN 100 -0.271 8.904 -2.855 808 2HB GLN 100 HB1 GLN 100 -0.263 10.132 -1.596 809 1HG GLN 100 HG2 GLN 100 -2.449 10.543 -1.810 810 2HG GLN 100 HG1 GLN 100 -2.396 10.454 -3.570 811 1HE2 GLN 100 1HE2 GLN 100 -1.704 8.147 -0.962 812 2HE2 GLN 100 2HE2 GLN 100 -2.760 6.911 -1.544 813 HA PRO 101 HA PRO 101 4.225 12.028 -3.949 814 1HB PRO 101 HB2 PRO 101 3.448 14.313 -2.176 815 2HB PRO 101 HB1 PRO 101 4.639 14.272 -3.483 816 1HG PRO 101 HG2 PRO 101 2.288 15.368 -3.919 817 2HG PRO 101 HG1 PRO 101 2.982 14.283 -5.141 818 1HD PRO 101 HD2 PRO 101 0.800 13.768 -3.167 819 2HD PRO 101 HD1 PRO 101 0.965 13.200 -4.842 820 H GLY 102 HN GLY 102 5.671 11.049 -2.630 821 1HA GLY 102 HA2 GLY 102 5.135 11.062 0.270 822 2HA GLY 102 HA1 GLY 102 5.500 9.556 -0.555 823 H GLU 103 HN GLU 103 7.085 9.986 1.440 824 HA GLU 103 HA GLU 103 9.633 10.722 0.209 825 1HB GLU 103 HB2 GLU 103 8.449 11.948 2.675 826 2HB GLU 103 HB1 GLU 103 10.194 11.762 2.550 827 1HG GLU 103 HG2 GLU 103 9.582 12.894 0.149 828 2HG GLU 103 HG1 GLU 103 8.398 13.644 1.220 829 H TRP 104 HN TRP 104 11.495 9.819 1.357 830 HA TRP 104 HA TRP 104 11.025 7.149 2.187 831 1HB TRP 104 HB2 TRP 104 13.598 8.572 2.806 832 2HB TRP 104 HB1 TRP 104 13.355 6.912 2.281 833 HD1 TRP 104 HD1 TRP 104 11.571 7.645 -0.322 834 HE1 TRP 104 HE1 TRP 104 12.772 8.621 -2.381 835 HE3 TRP 104 HE3 TRP 104 15.812 9.371 1.952 836 HZ2 TRP 104 HZ2 TRP 104 15.196 9.946 -2.963 837 HZ3 TRP 104 HZ3 TRP 104 17.523 10.479 0.574 838 HH2 TRP 104 HH2 TRP 104 17.219 10.761 -1.832 839 H MET 105 HN MET 105 9.984 6.731 4.051 840 HA MET 105 HA MET 105 10.934 8.100 6.482 841 1HB MET 105 HB2 MET 105 8.270 6.902 6.687 842 2HB MET 105 HB1 MET 105 8.840 8.475 7.220 843 1HG MET 105 HG2 MET 105 8.215 7.856 4.351 844 2HG MET 105 HG1 MET 105 7.018 8.473 5.488 845 1HE MET 105 HE1 MET 105 8.424 11.978 6.407 846 2HE MET 105 HE2 MET 105 8.428 10.443 7.276 847 3HE MET 105 HE3 MET 105 6.980 10.966 6.417 848 H SER 106 HN SER 106 11.145 6.884 8.368 849 HA SER 106 HA SER 106 11.956 4.187 7.965 850 1HB SER 106 HB2 SER 106 11.695 4.559 10.725 851 2HB SER 106 HB1 SER 106 13.158 4.784 9.767 852 HG SER 106 HG SER 106 12.129 6.607 11.145 853 H LEU 107 HN LEU 107 10.627 2.525 7.744 854 HA LEU 107 HA LEU 107 7.885 2.607 8.448 855 1HB LEU 107 HB2 LEU 107 9.180 1.141 6.702 856 2HB LEU 107 HB1 LEU 107 9.338 0.027 8.045 857 HG LEU 107 HG LEU 107 7.414 -0.452 6.526 858 1HD1 LEU 107 1HD1 LEU 107 6.250 0.232 9.173 859 2HD1 LEU 107 2HD1 LEU 107 7.605 -0.896 9.114 860 3HD1 LEU 107 3HD1 LEU 107 6.122 -1.252 8.228 861 1HD2 LEU 107 1HD2 LEU 107 6.970 2.191 6.490 862 2HD2 LEU 107 2HD2 LEU 107 5.839 1.723 7.758 863 3HD2 LEU 107 3HD2 LEU 107 5.716 0.997 6.156 864 H VAL 108 HN VAL 108 10.749 1.572 10.126 865 HA VAL 108 HA VAL 108 9.685 -0.140 12.038 866 HB VAL 108 HB VAL 108 12.096 0.244 11.772 867 1HG1 VAL 108 1HG1 VAL 108 12.185 2.602 11.405 868 2HG1 VAL 108 2HG1 VAL 108 13.107 2.249 12.866 869 3HG1 VAL 108 3HG1 VAL 108 11.485 2.930 12.991 870 1HG2 VAL 108 1HG2 VAL 108 12.676 0.345 14.194 871 2HG2 VAL 108 2HG2 VAL 108 11.384 -0.793 13.812 872 3HG2 VAL 108 3HG2 VAL 108 10.998 0.771 14.529 873 H GLY 109 HN GLY 109 9.292 3.272 11.672 874 1HA GLY 109 HA2 GLY 109 8.102 3.447 14.364 875 2HA GLY 109 HA1 GLY 109 8.730 4.814 13.458 876 H LEU 110 HN LEU 110 6.705 2.274 12.113 877 HA LEU 110 HA LEU 110 4.909 4.081 10.919 878 1HB LEU 110 HB2 LEU 110 5.451 1.549 10.460 879 2HB LEU 110 HB1 LEU 110 4.121 1.272 11.564 880 HG LEU 110 HG LEU 110 2.574 2.377 10.106 881 1HD1 LEU 110 1HD1 LEU 110 3.601 3.098 7.792 882 2HD1 LEU 110 2HD1 LEU 110 5.051 3.339 8.766 883 3HD1 LEU 110 3HD1 LEU 110 3.568 4.209 9.163 884 1HD2 LEU 110 1HD2 LEU 110 4.398 0.581 8.511 885 2HD2 LEU 110 2HD2 LEU 110 2.724 0.969 8.116 886 3HD2 LEU 110 3HD2 LEU 110 3.097 0.053 9.577 887 H ASN 111 HN ASN 111 2.911 4.856 11.551 888 HA ASN 111 HA ASN 111 2.075 4.151 14.277 889 1HB ASN 111 HB2 ASN 111 2.869 6.679 13.240 890 2HB ASN 111 HB1 ASN 111 1.160 6.761 13.648 891 1HD2 ASN 111 1HD2 ASN 111 0.686 5.620 15.831 892 2HD2 ASN 111 2HD2 ASN 111 1.733 6.072 17.128 893 H ALA 112 HN ALA 112 0.067 3.568 14.618 894 HA ALA 112 HA ALA 112 -1.721 3.206 12.428 895 1HB ALA 112 HB1 ALA 112 -2.418 2.930 15.344 896 2HB ALA 112 HB2 ALA 112 -1.529 1.699 14.448 897 3HB ALA 112 HB3 ALA 112 -3.170 2.127 13.964 898 H ASP 113 HN ASP 113 -1.067 5.795 14.538 899 HA ASP 113 HA ASP 113 -3.700 6.939 14.573 900 1HB ASP 113 HB2 ASP 113 -1.792 7.268 16.287 901 2HB ASP 113 HB1 ASP 113 -1.169 8.456 15.147 902 H ASP 114 HN ASP 114 -0.657 7.742 12.891 903 HA ASP 114 HA ASP 114 -1.752 9.908 11.434 904 1HB ASP 114 HB2 ASP 114 0.403 8.853 9.938 905 2HB ASP 114 HB1 ASP 114 0.403 10.258 10.988 906 H PHE 115 HN PHE 115 -1.458 6.481 10.763 907 HA PHE 115 HA PHE 115 -2.400 6.764 8.045 908 1HB PHE 115 HB2 PHE 115 -1.653 4.638 7.775 909 2HB PHE 115 HB1 PHE 115 -0.864 4.893 9.332 910 HD1 PHE 115 HD1 PHE 115 -2.977 4.703 11.219 911 HD2 PHE 115 HD2 PHE 115 -2.369 2.438 7.688 912 HE1 PHE 115 HE1 PHE 115 -4.251 2.849 12.211 913 HE2 PHE 115 HE2 PHE 115 -3.642 0.575 8.662 914 HZ PHE 115 HZ PHE 115 -4.585 0.786 10.926 915 HA PRO 116 HA PRO 116 -6.730 6.125 8.719 916 1HB PRO 116 HB2 PRO 116 -7.462 4.040 7.141 917 2HB PRO 116 HB1 PRO 116 -7.038 5.629 6.494 918 1HG PRO 116 HG2 PRO 116 -5.373 3.149 6.673 919 2HG PRO 116 HG1 PRO 116 -5.516 4.308 5.340 920 1HD PRO 116 HD2 PRO 116 -3.437 4.318 7.077 921 2HD PRO 116 HD1 PRO 116 -4.049 5.795 6.309 922 HA PRO 117 HA PRO 117 -6.806 3.121 12.062 923 1HB PRO 117 HB2 PRO 117 -9.397 3.581 12.819 924 2HB PRO 117 HB1 PRO 117 -8.032 4.593 13.302 925 1HG PRO 117 HG2 PRO 117 -10.021 5.015 11.105 926 2HG PRO 117 HG1 PRO 117 -9.367 6.188 12.264 927 1HD PRO 117 HD2 PRO 117 -8.465 6.050 9.738 928 2HD PRO 117 HD1 PRO 117 -7.382 6.427 11.095 929 H ALA 118 HN ALA 118 -8.798 3.118 9.257 930 HA ALA 118 HA ALA 118 -10.323 0.793 9.875 931 1HB ALA 118 HB1 ALA 118 -9.863 2.424 7.427 932 2HB ALA 118 HB2 ALA 118 -11.365 2.074 8.282 933 3HB ALA 118 HB3 ALA 118 -10.612 0.834 7.279 934 H ASN 119 HN ASN 119 -7.088 1.178 9.110 935 HA ASN 119 HA ASN 119 -6.920 -1.589 8.108 936 1HB ASN 119 HB2 ASN 119 -5.674 0.925 7.241 937 2HB ASN 119 HB1 ASN 119 -4.556 -0.431 7.357 938 1HD2 ASN 119 1HD2 ASN 119 -7.961 -0.216 6.396 939 2HD2 ASN 119 2HD2 ASN 119 -7.744 -0.920 4.834 940 H GLU 120 HN GLU 120 -6.939 -0.730 10.905 941 HA GLU 120 HA GLU 120 -4.266 -0.764 11.895 942 1HB GLU 120 HB2 GLU 120 -6.883 -0.368 12.968 943 2HB GLU 120 HB1 GLU 120 -6.042 -1.557 13.952 944 1HG GLU 120 HG2 GLU 120 -4.414 0.761 13.262 945 2HG GLU 120 HG1 GLU 120 -5.847 1.149 14.212 946 HA PRO 121 HA PRO 121 -5.665 -5.423 12.948 947 1HB PRO 121 HB2 PRO 121 -6.550 -5.906 10.140 948 2HB PRO 121 HB1 PRO 121 -7.135 -6.628 11.644 949 1HG PRO 121 HG2 PRO 121 -8.554 -4.751 10.403 950 2HG PRO 121 HG1 PRO 121 -8.446 -4.788 12.174 951 1HD PRO 121 HD2 PRO 121 -7.101 -2.971 10.229 952 2HD PRO 121 HD1 PRO 121 -7.696 -2.633 11.866 953 H VAL 122 HN VAL 122 -4.660 -4.453 9.668 954 HA VAL 122 HA VAL 122 -2.657 -6.504 9.505 955 HB VAL 122 HB VAL 122 -2.586 -4.121 7.707 956 1HG1 VAL 122 1HG1 VAL 122 -0.966 -5.942 7.453 957 2HG1 VAL 122 2HG1 VAL 122 -2.009 -5.791 6.038 958 3HG1 VAL 122 3HG1 VAL 122 -2.290 -7.080 7.208 959 1HG2 VAL 122 1HG2 VAL 122 -4.334 -5.699 6.375 960 2HG2 VAL 122 2HG2 VAL 122 -4.800 -4.299 7.341 961 3HG2 VAL 122 3HG2 VAL 122 -4.892 -5.918 8.035 962 H ILE 123 HN ILE 123 -2.578 -2.962 9.769 963 HA ILE 123 HA ILE 123 0.211 -2.723 9.967 964 HB ILE 123 HB ILE 123 -2.064 -0.931 10.750 965 1HG1 ILE 123 2HG1 ILE 123 -1.048 -1.415 8.346 966 2HG1 ILE 123 1HG1 ILE 123 -1.593 0.192 8.802 967 1HG2 ILE 123 1HG2 ILE 123 0.865 -0.423 11.232 968 2HG2 ILE 123 2HG2 ILE 123 -0.437 -0.432 12.423 969 3HG2 ILE 123 3HG2 ILE 123 -0.361 0.844 11.207 970 1HD1 ILE 123 1HD1 ILE 123 1.246 -0.791 8.870 971 2HD1 ILE 123 2HD1 ILE 123 0.698 0.825 9.328 972 3HD1 ILE 123 3HD1 ILE 123 0.538 0.278 7.657 973 H ALA 124 HN ALA 124 -2.256 -3.356 12.375 974 HA ALA 124 HA ALA 124 -0.864 -2.780 14.707 975 1HB ALA 124 HB1 ALA 124 -3.193 -3.328 14.804 976 2HB ALA 124 HB2 ALA 124 -2.315 -4.513 15.770 977 3HB ALA 124 HB3 ALA 124 -2.892 -4.943 14.161 978 H LYS 125 HN LYS 125 -0.656 -5.527 12.555 979 HA LYS 125 HA LYS 125 0.875 -7.209 14.247 980 1HB LYS 125 HB2 LYS 125 -0.385 -7.647 11.948 981 2HB LYS 125 HB1 LYS 125 1.215 -7.337 11.288 982 1HG LYS 125 HG2 LYS 125 2.042 -9.288 12.027 983 2HG LYS 125 HG1 LYS 125 1.146 -9.213 13.546 984 1HD LYS 125 HD2 LYS 125 -0.925 -9.688 12.056 985 2HD LYS 125 HD1 LYS 125 0.263 -10.241 10.876 986 1HE LYS 125 HE2 LYS 125 0.702 -12.120 12.023 987 2HE LYS 125 HE1 LYS 125 0.689 -11.286 13.576 988 1HZ LYS 125 HZ1 LYS 125 -1.133 -12.655 13.735 989 2HZ LYS 125 HZ2 LYS 125 -1.552 -12.496 12.104 990 3HZ LYS 125 HZ3 LYS 125 -1.852 -11.226 13.181 991 H LEU 126 HN LEU 126 1.811 -5.002 11.617 992 HA LEU 126 HA LEU 126 4.618 -5.397 12.080 993 1HB LEU 126 HB2 LEU 126 3.322 -4.695 9.901 994 2HB LEU 126 HB1 LEU 126 3.541 -3.077 10.538 995 HG LEU 126 HG LEU 126 5.272 -3.782 8.881 996 1HD1 LEU 126 1HD1 LEU 126 5.540 -2.129 10.895 997 2HD1 LEU 126 2HD1 LEU 126 6.934 -2.594 9.920 998 3HD1 LEU 126 3HD1 LEU 126 6.658 -3.360 11.484 999 1HD2 LEU 126 1HD2 LEU 126 6.661 -5.393 10.925 1000 2HD2 LEU 126 2HD2 LEU 126 6.631 -5.563 9.170 1001 3HD2 LEU 126 3HD2 LEU 126 5.280 -6.156 10.137 1002 H LYS 127 HN LYS 127 2.180 -3.209 13.202 1003 HA LYS 127 HA LYS 127 3.717 -1.012 13.967 1004 1HB LYS 127 HB2 LYS 127 1.212 -1.233 13.982 1005 2HB LYS 127 HB1 LYS 127 1.360 -2.112 15.492 1006 1HG LYS 127 HG2 LYS 127 1.991 -0.254 16.677 1007 2HG LYS 127 HG1 LYS 127 2.621 0.575 15.252 1008 1HD LYS 127 HD2 LYS 127 0.710 1.752 15.353 1009 2HD LYS 127 HD1 LYS 127 -0.017 0.322 14.616 1010 1HE LYS 127 HE2 LYS 127 0.236 0.593 17.593 1011 2HE LYS 127 HE1 LYS 127 -1.121 1.303 16.720 1012 1HZ LYS 127 HZ1 LYS 127 -0.477 -1.514 17.181 1013 2HZ LYS 127 HZ2 LYS 127 -1.246 -1.110 15.729 1014 3HZ LYS 127 HZ3 LYS 127 -1.977 -0.729 17.206 1015 H ARG 128 HN ARG 128 2.981 -4.014 15.672 1016 HA ARG 128 HA ARG 128 4.416 -3.277 18.037 1017 1HB ARG 128 HB2 ARG 128 2.629 -4.882 18.223 1018 2HB ARG 128 HB1 ARG 128 3.379 -5.928 17.027 1019 1HG ARG 128 HG2 ARG 128 5.175 -6.454 18.532 1020 2HG ARG 128 HG1 ARG 128 4.584 -5.280 19.708 1021 1HD ARG 128 HD2 ARG 128 2.968 -7.640 18.770 1022 2HD ARG 128 HD1 ARG 128 4.018 -7.691 20.185 1023 HE ARG 128 HE ARG 128 1.424 -6.549 20.035 1024 1HH1 ARG 128 1HH1 ARG 128 4.550 -6.116 21.524 1025 2HH1 ARG 128 2HH1 ARG 128 3.916 -5.278 22.901 1026 1HH2 ARG 128 1HH2 ARG 128 0.589 -5.448 21.844 1027 2HH2 ARG 128 2HH2 ARG 128 1.667 -4.899 23.083 1028 H LEU 129 HN LEU 129 5.400 -4.024 14.968 1029 HA LEU 129 HA LEU 129 7.319 -4.806 14.008 1030 1HB LEU 129 HB2 LEU 129 8.648 -3.726 16.481 1031 2HB LEU 129 HB1 LEU 129 9.313 -3.830 14.863 1032 HG LEU 129 HG LEU 129 7.086 -2.239 14.505 1033 1HD1 LEU 129 1HD1 LEU 129 6.952 -0.648 16.209 1034 2HD1 LEU 129 2HD1 LEU 129 8.446 -1.197 16.966 1035 3HD1 LEU 129 3HD1 LEU 129 6.994 -2.193 17.057 1036 1HD2 LEU 129 1HD2 LEU 129 9.508 -0.734 15.118 1037 2HD2 LEU 129 2HD2 LEU 129 8.609 -0.873 13.607 1038 3HD2 LEU 129 3HD2 LEU 129 9.790 -2.107 14.047 1039 1HO1 MO2 130 1HO1 MO2 130 -5.533 -0.495 -11.030 1040 2HO1 MO2 130 2HO1 MO2 130 -5.495 3.780 -10.815 1041 1HO2 MO2 130 1HO2 MO2 130 -5.885 0.755 -11.800 1042 2HO2 MO2 130 2HO2 MO2 130 -6.016 3.562 -9.412 1043 1H5* 8OG 131 1H5* 8OG 131 -12.585 2.338 -3.031 1044 2H5* 8OG 131 2H5* 8OG 131 -12.348 2.868 -1.393 1045 H4* 8OG 131 1H4* 8OG 131 -10.474 1.228 -3.085 1046 H3* 8OG 131 1H3* 8OG 131 -12.576 0.404 -1.375 1047 1H2* 8OG 131 1H2* 8OG 131 -11.523 -0.246 0.489 1048 2H2* 8OG 131 2H2* 8OG 131 -10.413 -1.214 -0.453 1049 H1* 8OG 131 1H1* 8OG 131 -8.784 0.256 -0.173 1050 H1 8OG 131 H1 8OG 131 -5.927 1.509 4.896 1051 H7 8OG 131 H7 8OG 131 -10.751 2.428 4.019 1052 1H2 8OG 131 H21 8OG 131 -4.687 0.197 1.899 1053 2H2 8OG 131 H22 8OG 131 -4.336 0.652 3.534 1054 H3T 8OG 131 *HO1 8OG 131 -12.009 -0.554 -3.416 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -24.664 -6.358 -4.383 2 2H MET 1 HT2 MET 1 -24.166 -6.793 -2.800 3 3H MET 1 HT3 MET 1 -25.347 -7.731 -3.620 4 HA MET 1 HA MET 1 -23.054 -8.651 -3.520 5 1HB MET 1 HB2 MET 1 -24.510 -8.178 -6.128 6 2HB MET 1 HB1 MET 1 -23.216 -9.353 -5.934 7 1HG MET 1 HG2 MET 1 -24.806 -10.119 -3.924 8 2HG MET 1 HG1 MET 1 -26.015 -9.437 -5.010 9 1HE MET 1 HE1 MET 1 -26.683 -11.358 -7.612 10 2HE MET 1 HE2 MET 1 -27.235 -10.599 -6.119 11 3HE MET 1 HE3 MET 1 -27.142 -12.358 -6.233 12 H LYS 2 HN LYS 2 -22.435 -5.900 -3.267 13 HA LYS 2 HA LYS 2 -20.781 -5.215 -5.558 14 1HB LYS 2 HB2 LYS 2 -22.210 -3.659 -3.885 15 2HB LYS 2 HB1 LYS 2 -20.648 -3.594 -3.081 16 1HG LYS 2 HG2 LYS 2 -19.602 -2.668 -5.000 17 2HG LYS 2 HG1 LYS 2 -21.025 -2.973 -5.998 18 1HD LYS 2 HD2 LYS 2 -21.425 -0.787 -5.557 19 2HD LYS 2 HD1 LYS 2 -22.146 -1.458 -4.093 20 1HE LYS 2 HE2 LYS 2 -19.714 -1.231 -3.154 21 2HE LYS 2 HE1 LYS 2 -19.532 -0.061 -4.460 22 1HZ LYS 2 HZ1 LYS 2 -21.836 0.126 -2.638 23 2HZ LYS 2 HZ2 LYS 2 -21.078 1.346 -3.530 24 3HZ LYS 2 HZ3 LYS 2 -20.331 0.722 -2.147 25 H LYS 3 HN LYS 3 -18.586 -5.257 -5.614 26 HA LYS 3 HA LYS 3 -17.129 -5.997 -3.187 27 1HB LYS 3 HB2 LYS 3 -15.852 -7.714 -4.434 28 2HB LYS 3 HB1 LYS 3 -17.556 -8.115 -4.276 29 1HG LYS 3 HG2 LYS 3 -17.411 -8.566 -6.462 30 2HG LYS 3 HG1 LYS 3 -17.561 -6.819 -6.651 31 1HD LYS 3 HD2 LYS 3 -14.964 -6.854 -6.383 32 2HD LYS 3 HD1 LYS 3 -15.131 -8.549 -6.844 33 1HE LYS 3 HE2 LYS 3 -16.455 -6.416 -8.468 34 2HE LYS 3 HE1 LYS 3 -14.733 -6.737 -8.673 35 1HZ LYS 3 HZ1 LYS 3 -16.508 -9.047 -8.708 36 2HZ LYS 3 HZ2 LYS 3 -15.126 -8.731 -9.629 37 3HZ LYS 3 HZ3 LYS 3 -16.598 -8.008 -10.040 38 H LEU 4 HN LEU 4 -14.999 -5.308 -3.118 39 HA LEU 4 HA LEU 4 -13.890 -3.950 -5.446 40 1HB LEU 4 HB2 LEU 4 -13.480 -1.886 -4.297 41 2HB LEU 4 HB1 LEU 4 -15.193 -2.248 -4.210 42 HG LEU 4 HG LEU 4 -14.467 -3.312 -1.878 43 1HD1 LEU 4 1HD1 LEU 4 -12.418 -2.812 -1.202 44 2HD1 LEU 4 2HD1 LEU 4 -12.773 -1.093 -1.363 45 3HD1 LEU 4 3HD1 LEU 4 -12.106 -1.989 -2.728 46 1HD2 LEU 4 1HD2 LEU 4 -14.740 -0.750 -1.076 47 2HD2 LEU 4 2HD2 LEU 4 -16.084 -1.770 -1.592 48 3HD2 LEU 4 3HD2 LEU 4 -15.353 -0.635 -2.725 49 H GLN 5 HN GLN 5 -11.844 -4.544 -5.661 50 HA GLN 5 HA GLN 5 -10.421 -5.586 -3.325 51 1HB GLN 5 HB2 GLN 5 -9.665 -5.872 -6.227 52 2HB GLN 5 HB1 GLN 5 -8.987 -6.748 -4.860 53 1HG GLN 5 HG2 GLN 5 -11.326 -7.636 -4.469 54 2HG GLN 5 HG1 GLN 5 -11.715 -6.990 -6.055 55 1HE2 GLN 5 1HE2 GLN 5 -11.952 -9.677 -5.482 56 2HE2 GLN 5 2HE2 GLN 5 -10.768 -10.559 -6.380 57 H ILE 6 HN ILE 6 -8.349 -4.988 -2.839 58 HA ILE 6 HA ILE 6 -7.096 -2.795 -4.277 59 HB ILE 6 HB ILE 6 -7.908 -2.622 -1.373 60 1HG1 ILE 6 2HG1 ILE 6 -9.593 -1.890 -3.006 61 2HG1 ILE 6 1HG1 ILE 6 -8.975 -0.530 -2.075 62 1HG2 ILE 6 1HG2 ILE 6 -5.848 -1.077 -2.903 63 2HG2 ILE 6 2HG2 ILE 6 -5.711 -1.845 -1.323 64 3HG2 ILE 6 3HG2 ILE 6 -6.677 -0.380 -1.512 65 1HD1 ILE 6 1HD1 ILE 6 -8.209 -1.270 -4.886 66 2HD1 ILE 6 2HD1 ILE 6 -7.499 0.048 -3.954 67 3HD1 ILE 6 3HD1 ILE 6 -9.210 0.091 -4.384 68 H ALA 7 HN ALA 7 -4.928 -3.069 -4.343 69 HA ALA 7 HA ALA 7 -3.730 -4.925 -2.379 70 1HB ALA 7 HB1 ALA 7 -3.671 -4.978 -5.319 71 2HB ALA 7 HB2 ALA 7 -3.467 -6.286 -4.157 72 3HB ALA 7 HB3 ALA 7 -2.113 -5.223 -4.535 73 H VAL 8 HN VAL 8 -2.125 -4.036 -1.237 74 HA VAL 8 HA VAL 8 -0.774 -1.688 -2.386 75 HB VAL 8 HB VAL 8 -0.995 -0.494 -0.514 76 1HG1 VAL 8 1HG1 VAL 8 -3.273 -1.671 -0.941 77 2HG1 VAL 8 2HG1 VAL 8 -3.037 -0.731 0.533 78 3HG1 VAL 8 3HG1 VAL 8 -2.928 -2.490 0.583 79 1HG2 VAL 8 1HG2 VAL 8 -0.805 -1.480 1.795 80 2HG2 VAL 8 2HG2 VAL 8 0.614 -1.693 0.765 81 3HG2 VAL 8 3HG2 VAL 8 -0.499 -3.036 1.025 82 H GLY 9 HN GLY 9 1.391 -1.253 -1.543 83 1HA GLY 9 HA2 GLY 9 2.834 -3.557 -0.509 84 2HA GLY 9 HA1 GLY 9 3.274 -3.020 -2.117 85 H ILE 10 HN ILE 10 3.936 -2.703 1.121 86 HA ILE 10 HA ILE 10 4.733 0.045 1.234 87 HB ILE 10 HB ILE 10 6.025 -2.012 2.986 88 1HG1 ILE 10 2HG1 ILE 10 3.717 -1.451 4.359 89 2HG1 ILE 10 1HG1 ILE 10 3.123 -1.611 2.709 90 1HG2 ILE 10 1HG2 ILE 10 5.045 -0.010 4.561 91 2HG2 ILE 10 2HG2 ILE 10 5.386 0.838 3.053 92 3HG2 ILE 10 3HG2 ILE 10 6.667 -0.060 3.868 93 1HD1 ILE 10 1HD1 ILE 10 4.322 -3.641 4.502 94 2HD1 ILE 10 2HD1 ILE 10 4.588 -3.798 2.765 95 3HD1 ILE 10 3HD1 ILE 10 2.945 -3.763 3.407 96 H ILE 11 HN ILE 11 6.227 0.730 -0.197 97 HA ILE 11 HA ILE 11 8.256 -0.936 -1.275 98 HB ILE 11 HB ILE 11 8.471 2.037 -1.415 99 1HG1 ILE 11 2HG1 ILE 11 6.340 0.321 -2.679 100 2HG1 ILE 11 1HG1 ILE 11 6.152 1.847 -1.821 101 1HG2 ILE 11 1HG2 ILE 11 9.703 1.644 -3.262 102 2HG2 ILE 11 2HG2 ILE 11 8.691 0.297 -3.782 103 3HG2 ILE 11 3HG2 ILE 11 9.907 0.053 -2.530 104 1HD1 ILE 11 1HD1 ILE 11 7.203 3.025 -3.668 105 2HD1 ILE 11 2HD1 ILE 11 5.802 2.105 -4.215 106 3HD1 ILE 11 3HD1 ILE 11 7.430 1.499 -4.520 107 H ARG 12 HN ARG 12 10.169 -1.447 -0.520 108 HA ARG 12 HA ARG 12 11.198 -0.174 1.863 109 1HB ARG 12 HB2 ARG 12 11.548 -2.720 0.522 110 2HB ARG 12 HB1 ARG 12 13.089 -2.026 1.005 111 1HG ARG 12 HG2 ARG 12 11.211 -1.747 3.140 112 2HG ARG 12 HG1 ARG 12 11.243 -3.420 2.594 113 1HD ARG 12 HD2 ARG 12 13.474 -3.693 3.127 114 2HD ARG 12 HD1 ARG 12 13.811 -1.965 3.032 115 HE ARG 12 HE ARG 12 13.309 -1.805 5.248 116 1HH1 ARG 12 1HH1 ARG 12 11.855 -4.724 4.006 117 2HH1 ARG 12 2HH1 ARG 12 11.306 -5.260 5.559 118 1HH2 ARG 12 1HH2 ARG 12 12.587 -2.509 7.291 119 2HH2 ARG 12 2HH2 ARG 12 11.721 -4.002 7.424 120 H ASN 13 HN ASN 13 12.677 1.318 1.944 121 HA ASN 13 HA ASN 13 13.770 2.509 -0.381 122 1HB ASN 13 HB2 ASN 13 13.241 3.860 1.507 123 2HB ASN 13 HB1 ASN 13 14.316 2.939 2.523 124 1HD2 ASN 13 1HD2 ASN 13 14.054 5.361 0.068 125 2HD2 ASN 13 2HD2 ASN 13 15.671 5.957 0.193 126 H GLU 14 HN GLU 14 16.146 3.174 -0.244 127 HA GLU 14 HA GLU 14 17.717 1.026 -0.997 128 1HB GLU 14 HB2 GLU 14 18.284 3.178 -1.787 129 2HB GLU 14 HB1 GLU 14 18.371 3.836 -0.157 130 1HG GLU 14 HG2 GLU 14 20.466 2.976 0.220 131 2HG GLU 14 HG1 GLU 14 20.260 1.670 -0.946 132 H ASN 15 HN ASN 15 17.014 2.114 2.160 133 HA ASN 15 HA ASN 15 19.175 0.416 3.217 134 1HB ASN 15 HB2 ASN 15 19.618 2.725 3.788 135 2HB ASN 15 HB1 ASN 15 17.989 2.925 4.420 136 1HD2 ASN 15 1HD2 ASN 15 20.166 0.193 4.890 137 2HD2 ASN 15 2HD2 ASN 15 20.320 0.379 6.600 138 H ASN 16 HN ASN 16 16.440 1.882 4.916 139 HA ASN 16 HA ASN 16 15.030 -0.635 5.090 140 1HB ASN 16 HB2 ASN 16 15.079 -0.489 7.670 141 2HB ASN 16 HB1 ASN 16 16.480 -1.167 6.846 142 1HD2 ASN 16 1HD2 ASN 16 15.241 1.965 7.966 143 2HD2 ASN 16 2HD2 ASN 16 16.759 2.548 8.548 144 H GLU 17 HN GLU 17 14.761 2.397 4.484 145 HA GLU 17 HA GLU 17 12.459 2.970 6.211 146 1HB GLU 17 HB2 GLU 17 13.757 4.826 4.212 147 2HB GLU 17 HB1 GLU 17 12.644 5.252 5.504 148 1HG GLU 17 HG2 GLU 17 14.249 5.226 7.092 149 2HG GLU 17 HG1 GLU 17 15.158 3.933 6.309 150 H ILE 18 HN ILE 18 10.490 3.832 5.121 151 HA ILE 18 HA ILE 18 10.237 2.924 2.344 152 HB ILE 18 HB ILE 18 8.445 2.097 4.613 153 1HG1 ILE 18 2HG1 ILE 18 9.244 0.041 2.744 154 2HG1 ILE 18 1HG1 ILE 18 10.651 0.876 3.392 155 1HG2 ILE 18 1HG2 ILE 18 7.787 2.532 1.822 156 2HG2 ILE 18 2HG2 ILE 18 6.728 2.219 3.194 157 3HG2 ILE 18 3HG2 ILE 18 7.476 0.875 2.333 158 1HD1 ILE 18 1HD1 ILE 18 8.659 -0.835 4.760 159 2HD1 ILE 18 2HD1 ILE 18 9.391 0.485 5.672 160 3HD1 ILE 18 3HD1 ILE 18 10.412 -0.756 4.946 161 H PHE 19 HN PHE 19 8.872 4.076 1.082 162 HA PHE 19 HA PHE 19 7.908 6.588 2.183 163 1HB PHE 19 HB2 PHE 19 8.509 7.388 0.179 164 2HB PHE 19 HB1 PHE 19 9.000 5.772 -0.302 165 HD1 PHE 19 HD1 PHE 19 6.466 8.360 -0.599 166 HD2 PHE 19 HD2 PHE 19 7.495 4.357 -1.614 167 HE1 PHE 19 HE1 PHE 19 4.705 8.345 -2.319 168 HE2 PHE 19 HE2 PHE 19 5.737 4.337 -3.335 169 HZ PHE 19 HZ PHE 19 4.339 6.333 -3.689 170 H ILE 20 HN ILE 20 5.909 6.734 2.931 171 HA ILE 20 HA ILE 20 3.837 4.995 1.753 172 HB ILE 20 HB ILE 20 2.994 6.168 4.249 173 1HG1 ILE 20 2HG1 ILE 20 5.454 6.155 4.724 174 2HG1 ILE 20 1HG1 ILE 20 4.512 5.134 5.802 175 1HG2 ILE 20 1HG2 ILE 20 3.121 3.485 4.666 176 2HG2 ILE 20 2HG2 ILE 20 3.075 3.569 2.905 177 3HG2 ILE 20 3HG2 ILE 20 1.794 4.320 3.856 178 1HD1 ILE 20 1HD1 ILE 20 6.424 4.360 3.655 179 2HD1 ILE 20 2HD1 ILE 20 5.142 3.249 4.135 180 3HD1 ILE 20 3HD1 ILE 20 6.319 3.805 5.325 181 H THR 21 HN THR 21 2.246 5.979 0.667 182 HA THR 21 HA THR 21 2.176 8.839 0.473 183 HB THR 21 HB THR 21 0.527 8.537 -1.209 184 HG1 THR 21 HG1 THR 21 -0.993 7.171 -0.790 185 1HG2 THR 21 1HG2 THR 21 1.443 6.140 -2.194 186 2HG2 THR 21 2HG2 THR 21 2.789 6.728 -1.217 187 3HG2 THR 21 3HG2 THR 21 2.132 7.733 -2.508 188 H ARG 22 HN ARG 22 1.300 10.064 2.021 189 HA ARG 22 HA ARG 22 -0.924 8.998 3.600 190 1HB ARG 22 HB2 ARG 22 1.119 10.021 4.693 191 2HB ARG 22 HB1 ARG 22 0.611 11.567 4.029 192 1HG ARG 22 HG2 ARG 22 -1.315 11.633 5.372 193 2HG ARG 22 HG1 ARG 22 -1.174 9.926 5.796 194 1HD ARG 22 HD2 ARG 22 -0.488 11.431 7.629 195 2HD ARG 22 HD1 ARG 22 0.813 10.370 7.092 196 HE ARG 22 HE ARG 22 0.835 12.927 5.796 197 1HH1 ARG 22 1HH1 ARG 22 1.829 11.177 8.647 198 2HH1 ARG 22 2HH1 ARG 22 3.141 12.251 9.001 199 1HH2 ARG 22 1HH2 ARG 22 2.559 14.340 6.259 200 2HH2 ARG 22 2HH2 ARG 22 3.555 14.048 7.646 201 H ARG 23 HN ARG 23 -2.623 10.731 4.208 202 HA ARG 23 HA ARG 23 -3.819 11.627 1.783 203 1HB ARG 23 HB2 ARG 23 -5.185 10.937 3.676 204 2HB ARG 23 HB1 ARG 23 -4.541 12.245 4.652 205 1HG ARG 23 HG2 ARG 23 -6.406 13.311 4.015 206 2HG ARG 23 HG1 ARG 23 -5.506 13.619 2.529 207 1HD ARG 23 HD2 ARG 23 -6.463 11.384 1.716 208 2HD ARG 23 HD1 ARG 23 -7.591 11.528 3.063 209 HE ARG 23 HE ARG 23 -7.834 13.908 1.807 210 1HH1 ARG 23 1HH1 ARG 23 -7.997 10.604 0.696 211 2HH1 ARG 23 2HH1 ARG 23 -9.108 10.957 -0.584 212 1HH2 ARG 23 1HH2 ARG 23 -9.296 14.375 0.125 213 2HH2 ARG 23 2HH2 ARG 23 -9.846 13.098 -0.908 214 H ALA 24 HN ALA 24 -1.598 12.790 1.420 215 HA ALA 24 HA ALA 24 -0.506 14.729 1.047 216 1HB ALA 24 HB1 ALA 24 -2.103 15.857 -0.051 217 2HB ALA 24 HB2 ALA 24 -2.310 16.765 1.448 218 3HB ALA 24 HB3 ALA 24 -3.349 15.380 1.104 219 H ALA 25 HN ALA 25 -0.503 17.205 2.128 220 HA ALA 25 HA ALA 25 0.833 16.884 4.555 221 1HB ALA 25 HB1 ALA 25 1.438 18.845 3.580 222 2HB ALA 25 HB2 ALA 25 0.228 19.471 4.700 223 3HB ALA 25 HB3 ALA 25 -0.193 19.195 3.010 224 H ASP 26 HN ASP 26 -2.191 18.739 4.216 225 HA ASP 26 HA ASP 26 -3.467 17.315 6.358 226 1HB ASP 26 HB2 ASP 26 -3.722 19.391 7.784 227 2HB ASP 26 HB1 ASP 26 -2.113 18.676 7.771 228 H ALA 27 HN ALA 27 -5.665 17.984 6.699 229 HA ALA 27 HA ALA 27 -6.899 20.100 5.315 230 1HB ALA 27 HB1 ALA 27 -6.980 17.425 3.938 231 2HB ALA 27 HB2 ALA 27 -6.438 18.970 3.282 232 3HB ALA 27 HB3 ALA 27 -8.148 18.710 3.625 233 H HIS 28 HN HIS 28 -8.011 16.734 5.556 234 HA HIS 28 HA HIS 28 -9.651 17.411 7.870 235 1HB HIS 28 HB2 HIS 28 -10.720 16.631 5.174 236 2HB HIS 28 HB1 HIS 28 -11.609 16.223 6.637 237 HD1 HIS 28 HD1 HIS 28 -12.045 18.451 8.245 238 HD2 HIS 28 HD2 HIS 28 -11.369 19.063 4.191 239 HE1 HIS 28 HE1 HIS 28 -12.936 20.751 7.754 240 HE2 HIS 28 HE2 HIS 28 -12.433 21.134 5.316 241 H MET 29 HN MET 29 -9.321 14.799 5.459 242 HA MET 29 HA MET 29 -9.307 12.846 7.631 243 1HB MET 29 HB2 MET 29 -9.340 11.203 5.657 244 2HB MET 29 HB1 MET 29 -10.780 12.172 5.938 245 1HG MET 29 HG2 MET 29 -10.290 13.600 4.124 246 2HG MET 29 HG1 MET 29 -8.656 12.961 3.970 247 1HE MET 29 HE1 MET 29 -12.370 12.616 3.067 248 2HE MET 29 HE2 MET 29 -12.274 11.342 4.283 249 3HE MET 29 HE3 MET 29 -12.542 10.926 2.590 250 H ALA 30 HN ALA 30 -7.076 14.222 7.850 251 HA ALA 30 HA ALA 30 -4.901 13.262 6.275 252 1HB ALA 30 HB1 ALA 30 -4.902 15.453 7.416 253 2HB ALA 30 HB2 ALA 30 -3.487 14.473 7.802 254 3HB ALA 30 HB3 ALA 30 -4.805 14.616 8.965 255 H ASN 31 HN ASN 31 -6.698 11.802 8.708 256 HA ASN 31 HA ASN 31 -4.480 10.255 9.784 257 1HB ASN 31 HB2 ASN 31 -7.145 10.967 10.661 258 2HB ASN 31 HB1 ASN 31 -6.886 9.231 10.794 259 1HD2 ASN 31 1HD2 ASN 31 -7.168 9.862 13.103 260 2HD2 ASN 31 2HD2 ASN 31 -5.748 10.298 13.985 261 H LYS 32 HN LYS 32 -5.278 9.954 6.959 262 HA LYS 32 HA LYS 32 -6.100 7.136 7.018 263 1HB LYS 32 HB2 LYS 32 -6.966 9.349 5.358 264 2HB LYS 32 HB1 LYS 32 -6.389 8.001 4.389 265 1HG LYS 32 HG2 LYS 32 -7.921 6.510 5.642 266 2HG LYS 32 HG1 LYS 32 -8.563 7.932 6.467 267 1HD LYS 32 HD2 LYS 32 -8.741 8.697 3.862 268 2HD LYS 32 HD1 LYS 32 -9.025 6.960 3.732 269 1HE LYS 32 HE2 LYS 32 -10.464 8.311 5.914 270 2HE LYS 32 HE1 LYS 32 -10.943 8.793 4.287 271 1HZ LYS 32 HZ1 LYS 32 -11.142 6.157 5.573 272 2HZ LYS 32 HZ2 LYS 32 -11.017 6.250 3.889 273 3HZ LYS 32 HZ3 LYS 32 -12.305 7.004 4.682 274 H LEU 33 HN LEU 33 -3.420 8.257 7.326 275 HA LEU 33 HA LEU 33 -1.758 8.144 5.165 276 1HB LEU 33 HB2 LEU 33 -1.260 8.483 7.679 277 2HB LEU 33 HB1 LEU 33 -1.044 6.748 7.719 278 HG LEU 33 HG LEU 33 0.554 8.694 6.060 279 1HD1 LEU 33 1HD1 LEU 33 1.220 7.103 8.527 280 2HD1 LEU 33 2HD1 LEU 33 1.160 8.859 8.367 281 3HD1 LEU 33 3HD1 LEU 33 2.412 7.939 7.531 282 1HD2 LEU 33 1HD2 LEU 33 1.973 6.470 5.895 283 2HD2 LEU 33 2HD2 LEU 33 0.683 6.830 4.748 284 3HD2 LEU 33 3HD2 LEU 33 0.386 5.728 6.092 285 H GLU 34 HN GLU 34 -1.358 6.670 3.633 286 HA GLU 34 HA GLU 34 -1.397 3.832 4.314 287 1HB GLU 34 HB2 GLU 34 -3.139 5.088 2.193 288 2HB GLU 34 HB1 GLU 34 -2.777 3.369 2.242 289 1HG GLU 34 HG2 GLU 34 -3.968 3.050 4.220 290 2HG GLU 34 HG1 GLU 34 -3.971 4.771 4.601 291 H PHE 35 HN PHE 35 -1.009 2.635 1.987 292 HA PHE 35 HA PHE 35 1.313 4.004 0.800 293 1HB PHE 35 HB2 PHE 35 1.556 1.177 0.446 294 2HB PHE 35 HB1 PHE 35 2.622 2.270 1.315 295 HD1 PHE 35 HD1 PHE 35 -0.711 0.669 1.864 296 HD2 PHE 35 HD2 PHE 35 3.102 1.668 3.465 297 HE1 PHE 35 HE1 PHE 35 -1.310 -0.444 3.974 298 HE2 PHE 35 HE2 PHE 35 2.510 0.560 5.579 299 HZ PHE 35 HZ PHE 35 0.301 -0.500 5.836 300 HA PRO 36 HA PRO 36 -0.130 3.589 -3.343 301 1HB PRO 36 HB2 PRO 36 1.874 1.967 -4.447 302 2HB PRO 36 HB1 PRO 36 1.888 3.729 -4.371 303 1HG PRO 36 HG2 PRO 36 3.200 1.744 -2.578 304 2HG PRO 36 HG1 PRO 36 3.777 3.333 -3.110 305 1HD PRO 36 HD2 PRO 36 2.817 2.973 -0.645 306 2HD PRO 36 HD1 PRO 36 2.475 4.464 -1.548 307 H GLY 37 HN GLY 37 -0.823 1.945 -5.006 308 1HA GLY 37 HA2 GLY 37 -1.309 -0.348 -5.537 309 2HA GLY 37 HA1 GLY 37 -1.150 -0.722 -3.850 310 H GLY 38 HN GLY 38 -3.063 1.441 -5.802 311 1HA GLY 38 HA2 GLY 38 -5.503 0.380 -4.544 312 2HA GLY 38 HA1 GLY 38 -5.257 2.115 -4.709 313 H LYS 39 HN LYS 39 -6.818 -0.448 -6.034 314 HA LYS 39 HA LYS 39 -8.326 -0.023 -7.852 315 1HB LYS 39 HB2 LYS 39 -7.172 2.073 -8.527 316 2HB LYS 39 HB1 LYS 39 -5.930 1.098 -9.305 317 1HG LYS 39 HG2 LYS 39 -7.158 0.857 -11.127 318 2HG LYS 39 HG1 LYS 39 -8.545 0.297 -10.192 319 1HD LYS 39 HD2 LYS 39 -7.810 3.206 -10.434 320 2HD LYS 39 HD1 LYS 39 -8.893 2.397 -11.568 321 1HE LYS 39 HE2 LYS 39 -10.386 3.280 -10.050 322 2HE LYS 39 HE1 LYS 39 -10.147 1.656 -9.408 323 1HZ LYS 39 HZ1 LYS 39 -9.982 3.769 -7.884 324 2HZ LYS 39 HZ2 LYS 39 -8.387 3.788 -8.445 325 3HZ LYS 39 HZ3 LYS 39 -8.981 2.429 -7.631 326 H ILE 40 HN ILE 40 -5.785 -1.910 -7.158 327 HA ILE 40 HA ILE 40 -5.124 -3.285 -9.467 328 HB ILE 40 HB ILE 40 -4.351 -5.054 -8.179 329 1HG1 ILE 40 2HG1 ILE 40 -5.734 -4.423 -5.645 330 2HG1 ILE 40 1HG1 ILE 40 -6.777 -5.034 -6.921 331 1HG2 ILE 40 1HG2 ILE 40 -4.195 -3.101 -5.984 332 2HG2 ILE 40 2HG2 ILE 40 -3.668 -2.539 -7.566 333 3HG2 ILE 40 3HG2 ILE 40 -2.914 -3.956 -6.839 334 1HD1 ILE 40 1HD1 ILE 40 -4.313 -6.558 -6.572 335 2HD1 ILE 40 2HD1 ILE 40 -5.979 -7.104 -6.752 336 3HD1 ILE 40 3HD1 ILE 40 -5.391 -6.572 -5.177 337 H GLU 41 HN GLU 41 -8.002 -3.286 -7.643 338 HA GLU 41 HA GLU 41 -9.259 -5.627 -8.163 339 1HB GLU 41 HB2 GLU 41 -11.383 -4.101 -8.402 340 2HB GLU 41 HB1 GLU 41 -10.526 -4.216 -6.876 341 1HG GLU 41 HG2 GLU 41 -10.175 -2.040 -6.859 342 2HG GLU 41 HG1 GLU 41 -9.378 -2.103 -8.421 343 H MET 42 HN MET 42 -10.292 -2.893 -10.146 344 HA MET 42 HA MET 42 -11.210 -2.948 -12.264 345 1HB MET 42 HB2 MET 42 -8.348 -3.825 -12.633 346 2HB MET 42 HB1 MET 42 -9.389 -3.338 -13.963 347 1HG MET 42 HG2 MET 42 -9.596 -1.292 -12.080 348 2HG MET 42 HG1 MET 42 -7.888 -1.727 -12.115 349 1HE MET 42 HE1 MET 42 -6.318 -1.405 -13.944 350 2HE MET 42 HE2 MET 42 -6.639 0.237 -13.387 351 3HE MET 42 HE3 MET 42 -6.536 -0.104 -15.114 352 H GLY 43 HN GLY 43 -9.010 -5.635 -12.904 353 1HA GLY 43 HA2 GLY 43 -11.002 -7.670 -12.788 354 2HA GLY 43 HA1 GLY 43 -10.760 -7.110 -14.428 355 H GLU 44 HN GLU 44 -8.212 -7.199 -12.081 356 HA GLU 44 HA GLU 44 -6.743 -9.045 -13.795 357 1HB GLU 44 HB2 GLU 44 -6.038 -7.060 -11.717 358 2HB GLU 44 HB1 GLU 44 -4.996 -8.472 -11.821 359 1HG GLU 44 HG2 GLU 44 -4.155 -6.613 -13.156 360 2HG GLU 44 HG1 GLU 44 -4.548 -8.014 -14.153 361 H THR 45 HN THR 45 -5.087 -10.401 -12.200 362 HA THR 45 HA THR 45 -6.906 -12.165 -10.723 363 HB THR 45 HB THR 45 -4.214 -13.187 -11.040 364 HG1 THR 45 HG1 THR 45 -3.864 -12.885 -13.088 365 1HG2 THR 45 1HG2 THR 45 -5.600 -14.936 -10.881 366 2HG2 THR 45 2HG2 THR 45 -5.718 -14.746 -12.632 367 3HG2 THR 45 3HG2 THR 45 -6.961 -14.061 -11.584 368 HA PRO 46 HA PRO 46 -5.486 -11.274 -6.653 369 1HB PRO 46 HB2 PRO 46 -4.452 -13.838 -6.001 370 2HB PRO 46 HB1 PRO 46 -6.054 -13.201 -5.624 371 1HG PRO 46 HG2 PRO 46 -5.199 -14.964 -7.855 372 2HG PRO 46 HG1 PRO 46 -6.747 -14.906 -6.993 373 1HD PRO 46 HD2 PRO 46 -6.520 -13.924 -9.460 374 2HD PRO 46 HD1 PRO 46 -7.514 -13.096 -8.245 375 H GLU 47 HN GLU 47 -3.342 -12.864 -8.920 376 HA GLU 47 HA GLU 47 -1.007 -11.976 -7.388 377 1HB GLU 47 HB2 GLU 47 -1.542 -14.175 -9.259 378 2HB GLU 47 HB1 GLU 47 0.002 -13.374 -9.513 379 1HG GLU 47 HG2 GLU 47 0.643 -13.801 -7.224 380 2HG GLU 47 HG1 GLU 47 -0.936 -14.512 -6.890 381 H GLN 48 HN GLN 48 -2.432 -11.741 -10.645 382 HA GLN 48 HA GLN 48 -0.352 -9.971 -11.561 383 1HB GLN 48 HB2 GLN 48 -2.812 -11.171 -12.727 384 2HB GLN 48 HB1 GLN 48 -2.193 -9.703 -13.470 385 1HG GLN 48 HG2 GLN 48 -0.407 -10.740 -14.351 386 2HG GLN 48 HG1 GLN 48 -0.193 -11.792 -12.952 387 1HE2 GLN 48 1HE2 GLN 48 -0.599 -13.853 -13.272 388 2HE2 GLN 48 2HE2 GLN 48 -1.618 -14.516 -14.500 389 H ALA 49 HN ALA 49 -3.248 -9.581 -9.815 390 HA ALA 49 HA ALA 49 -4.131 -7.083 -10.705 391 1HB ALA 49 HB1 ALA 49 -5.355 -8.623 -9.160 392 2HB ALA 49 HB2 ALA 49 -5.356 -6.931 -8.668 393 3HB ALA 49 HB3 ALA 49 -4.283 -8.081 -7.869 394 H VAL 50 HN VAL 50 -1.896 -7.877 -8.048 395 HA VAL 50 HA VAL 50 -1.307 -5.101 -7.582 396 HB VAL 50 HB VAL 50 -0.163 -5.734 -5.725 397 1HG1 VAL 50 1HG1 VAL 50 -1.210 -8.480 -5.833 398 2HG1 VAL 50 2HG1 VAL 50 -2.392 -7.202 -6.113 399 3HG1 VAL 50 3HG1 VAL 50 -1.445 -7.217 -4.626 400 1HG2 VAL 50 1HG2 VAL 50 1.726 -6.727 -6.847 401 2HG2 VAL 50 2HG2 VAL 50 0.802 -8.189 -7.187 402 3HG2 VAL 50 3HG2 VAL 50 1.220 -7.777 -5.525 403 H VAL 51 HN VAL 51 0.399 -7.846 -9.041 404 HA VAL 51 HA VAL 51 2.837 -6.646 -9.564 405 HB VAL 51 HB VAL 51 1.424 -8.615 -11.369 406 1HG1 VAL 51 1HG1 VAL 51 4.111 -9.180 -11.413 407 2HG1 VAL 51 2HG1 VAL 51 4.083 -7.417 -11.378 408 3HG1 VAL 51 3HG1 VAL 51 3.226 -8.287 -12.650 409 1HG2 VAL 51 1HG2 VAL 51 3.445 -9.555 -9.440 410 2HG2 VAL 51 2HG2 VAL 51 1.941 -10.308 -9.968 411 3HG2 VAL 51 3HG2 VAL 51 1.908 -9.034 -8.749 412 H ARG 52 HN ARG 52 -0.181 -6.454 -11.362 413 HA ARG 52 HA ARG 52 0.989 -4.959 -13.510 414 1HB ARG 52 HB2 ARG 52 -0.959 -6.405 -13.891 415 2HB ARG 52 HB1 ARG 52 -1.914 -5.408 -12.802 416 1HG ARG 52 HG2 ARG 52 -0.633 -3.963 -15.014 417 2HG ARG 52 HG1 ARG 52 -1.869 -5.129 -15.486 418 1HD ARG 52 HD2 ARG 52 -3.447 -3.676 -14.914 419 2HD ARG 52 HD1 ARG 52 -2.856 -3.693 -13.253 420 HE ARG 52 HE ARG 52 -2.020 -1.609 -13.610 421 1HH1 ARG 52 1HH1 ARG 52 -2.342 -3.188 -16.706 422 2HH1 ARG 52 2HH1 ARG 52 -1.851 -1.794 -17.608 423 1HH2 ARG 52 1HH2 ARG 52 -1.374 0.225 -14.795 424 2HH2 ARG 52 2HH2 ARG 52 -1.300 0.143 -16.525 425 H GLU 53 HN GLU 53 -1.274 -4.173 -10.873 426 HA GLU 53 HA GLU 53 -1.384 -1.414 -11.430 427 1HB GLU 53 HB2 GLU 53 -2.425 -3.202 -9.438 428 2HB GLU 53 HB1 GLU 53 -1.788 -1.764 -8.653 429 1HG GLU 53 HG2 GLU 53 -3.771 -1.757 -10.918 430 2HG GLU 53 HG1 GLU 53 -4.178 -1.591 -9.210 431 H LEU 54 HN LEU 54 1.013 -3.350 -9.880 432 HA LEU 54 HA LEU 54 2.214 -1.512 -8.165 433 1HB LEU 54 HB2 LEU 54 2.840 -4.055 -9.262 434 2HB LEU 54 HB1 LEU 54 4.241 -3.029 -9.488 435 HG LEU 54 HG LEU 54 4.402 -2.607 -7.128 436 1HD1 LEU 54 1HD1 LEU 54 1.657 -3.626 -7.127 437 2HD1 LEU 54 2HD1 LEU 54 2.452 -2.500 -6.028 438 3HD1 LEU 54 3HD1 LEU 54 2.660 -4.238 -5.812 439 1HD2 LEU 54 1HD2 LEU 54 4.351 -5.174 -6.399 440 2HD2 LEU 54 2HD2 LEU 54 5.600 -4.495 -7.442 441 3HD2 LEU 54 3HD2 LEU 54 4.243 -5.371 -8.147 442 H GLN 55 HN GLN 55 2.712 -2.071 -11.623 443 HA GLN 55 HA GLN 55 4.756 -0.155 -11.978 444 1HB GLN 55 HB2 GLN 55 4.319 -1.855 -13.665 445 2HB GLN 55 HB1 GLN 55 2.694 -1.233 -13.919 446 1HG GLN 55 HG2 GLN 55 4.873 0.704 -14.312 447 2HG GLN 55 HG1 GLN 55 4.808 -0.627 -15.468 448 1HE2 GLN 55 1HE2 GLN 55 4.073 2.405 -15.333 449 2HE2 GLN 55 2HE2 GLN 55 2.563 2.458 -16.172 450 H GLU 56 HN GLU 56 1.272 -0.011 -11.919 451 HA GLU 56 HA GLU 56 1.083 2.713 -12.800 452 1HB GLU 56 HB2 GLU 56 -0.683 0.725 -12.802 453 2HB GLU 56 HB1 GLU 56 -1.105 1.423 -11.250 454 1HG GLU 56 HG2 GLU 56 -0.855 3.323 -13.483 455 2HG GLU 56 HG1 GLU 56 -2.195 2.181 -13.581 456 H GLU 57 HN GLU 57 1.535 1.081 -9.755 457 HA GLU 57 HA GLU 57 1.003 3.607 -8.352 458 1HB GLU 57 HB2 GLU 57 1.100 0.775 -7.318 459 2HB GLU 57 HB1 GLU 57 0.910 2.192 -6.293 460 1HG GLU 57 HG2 GLU 57 -0.971 1.534 -8.540 461 2HG GLU 57 HG1 GLU 57 -1.200 0.960 -6.891 462 H VAL 58 HN VAL 58 3.542 2.207 -9.715 463 HA VAL 58 HA VAL 58 5.390 3.260 -7.695 464 HB VAL 58 HB VAL 58 5.925 0.717 -9.243 465 1HG1 VAL 58 1HG1 VAL 58 8.038 1.237 -8.747 466 2HG1 VAL 58 2HG1 VAL 58 7.626 0.824 -7.084 467 3HG1 VAL 58 3HG1 VAL 58 7.552 2.501 -7.618 468 1HG2 VAL 58 1HG2 VAL 58 5.882 0.205 -6.480 469 2HG2 VAL 58 2HG2 VAL 58 4.772 -0.395 -7.711 470 3HG2 VAL 58 3HG2 VAL 58 4.408 1.099 -6.848 471 H GLY 59 HN GLY 59 4.900 2.152 -11.007 472 1HA GLY 59 HA2 GLY 59 5.549 3.041 -12.997 473 2HA GLY 59 HA1 GLY 59 5.971 4.500 -12.143 474 H ILE 60 HN ILE 60 7.931 3.429 -10.484 475 HA ILE 60 HA ILE 60 10.141 3.382 -12.285 476 HB ILE 60 HB ILE 60 11.274 2.797 -9.900 477 1HG1 ILE 60 2HG1 ILE 60 9.208 4.737 -9.014 478 2HG1 ILE 60 1HG1 ILE 60 8.826 3.020 -8.977 479 1HG2 ILE 60 1HG2 ILE 60 12.177 4.863 -10.053 480 2HG2 ILE 60 2HG2 ILE 60 10.614 5.643 -10.291 481 3HG2 ILE 60 3HG2 ILE 60 11.397 4.811 -11.634 482 1HD1 ILE 60 1HD1 ILE 60 9.636 3.505 -6.846 483 2HD1 ILE 60 2HD1 ILE 60 10.967 4.471 -7.481 484 3HD1 ILE 60 3HD1 ILE 60 10.978 2.719 -7.677 485 H THR 61 HN THR 61 11.999 1.771 -11.392 486 HA THR 61 HA THR 61 10.875 -0.925 -11.666 487 HB THR 61 HB THR 61 13.428 -1.222 -12.358 488 HG1 THR 61 HG1 THR 61 14.088 0.633 -13.522 489 1HG2 THR 61 1HG2 THR 61 11.448 0.007 -14.254 490 2HG2 THR 61 2HG2 THR 61 11.490 -1.703 -13.817 491 3HG2 THR 61 3HG2 THR 61 12.848 -0.979 -14.680 492 HA PRO 62 HA PRO 62 13.051 -1.097 -7.655 493 1HB PRO 62 HB2 PRO 62 11.003 -1.317 -6.049 494 2HB PRO 62 HB1 PRO 62 11.176 0.177 -6.980 495 1HG PRO 62 HG2 PRO 62 9.322 -2.118 -7.418 496 2HG PRO 62 HG1 PRO 62 9.045 -0.386 -7.672 497 1HD PRO 62 HD2 PRO 62 9.879 -2.325 -9.609 498 2HD PRO 62 HD1 PRO 62 9.680 -0.580 -9.828 499 H GLN 63 HN GLN 63 13.761 -2.898 -6.502 500 HA GLN 63 HA GLN 63 12.822 -5.493 -7.360 501 1HB GLN 63 HB2 GLN 63 14.567 -4.995 -4.950 502 2HB GLN 63 HB1 GLN 63 14.515 -6.416 -5.982 503 1HG GLN 63 HG2 GLN 63 15.600 -5.246 -7.759 504 2HG GLN 63 HG1 GLN 63 15.498 -3.722 -6.880 505 1HE2 GLN 63 1HE2 GLN 63 16.441 -6.958 -5.807 506 2HE2 GLN 63 2HE2 GLN 63 18.027 -6.514 -5.281 507 H HIS 64 HN HIS 64 10.666 -5.080 -6.875 508 HA HIS 64 HA HIS 64 9.951 -5.182 -4.023 509 1HB HIS 64 HB2 HIS 64 9.224 -3.094 -4.826 510 2HB HIS 64 HB1 HIS 64 8.838 -3.748 -6.387 511 HD1 HIS 64 HD1 HIS 64 7.359 -5.580 -3.536 512 HD2 HIS 64 HD2 HIS 64 6.299 -2.491 -6.099 513 HE1 HIS 64 HE1 HIS 64 4.870 -5.334 -3.296 514 HE2 HIS 64 HE2 HIS 64 4.275 -3.369 -4.751 515 H PHE 65 HN PHE 65 8.832 -6.921 -3.365 516 HA PHE 65 HA PHE 65 6.846 -8.228 -4.864 517 1HB PHE 65 HB2 PHE 65 9.165 -8.796 -5.984 518 2HB PHE 65 HB1 PHE 65 9.249 -9.942 -4.661 519 HD1 PHE 65 HD1 PHE 65 8.333 -12.056 -4.953 520 HD2 PHE 65 HD2 PHE 65 6.951 -8.834 -7.364 521 HE1 PHE 65 HE1 PHE 65 6.943 -13.624 -6.246 522 HE2 PHE 65 HE2 PHE 65 5.559 -10.393 -8.660 523 HZ PHE 65 HZ PHE 65 5.552 -12.791 -8.104 524 H SER 66 HN SER 66 6.251 -10.382 -3.907 525 HA SER 66 HA SER 66 5.941 -11.851 -2.179 526 1HB SER 66 HB2 SER 66 7.481 -12.103 -0.487 527 2HB SER 66 HB1 SER 66 8.460 -11.198 -1.639 528 HG SER 66 HG SER 66 7.546 -10.472 0.834 529 H LEU 67 HN LEU 67 4.754 -11.895 -0.143 530 HA LEU 67 HA LEU 67 3.373 -9.343 0.315 531 1HB LEU 67 HB2 LEU 67 1.389 -10.489 0.751 532 2HB LEU 67 HB1 LEU 67 2.082 -11.322 -0.626 533 HG LEU 67 HG LEU 67 3.063 -12.923 1.214 534 1HD1 LEU 67 1HD1 LEU 67 2.481 -12.170 3.260 535 2HD1 LEU 67 2HD1 LEU 67 0.991 -13.049 2.914 536 3HD1 LEU 67 3HD1 LEU 67 1.065 -11.304 2.661 537 1HD2 LEU 67 1HD2 LEU 67 1.553 -13.646 -0.518 538 2HD2 LEU 67 2HD2 LEU 67 0.184 -12.910 0.317 539 3HD2 LEU 67 3HD2 LEU 67 1.009 -14.297 1.029 540 H PHE 68 HN PHE 68 3.157 -8.521 2.325 541 HA PHE 68 HA PHE 68 4.723 -9.807 4.427 542 1HB PHE 68 HB2 PHE 68 5.363 -7.726 4.935 543 2HB PHE 68 HB1 PHE 68 4.407 -7.136 3.585 544 HD1 PHE 68 HD1 PHE 68 5.013 -6.753 6.963 545 HD2 PHE 68 HD2 PHE 68 1.783 -6.926 4.197 546 HE1 PHE 68 HE1 PHE 68 3.607 -5.481 8.529 547 HE2 PHE 68 HE2 PHE 68 0.372 -5.655 5.758 548 HZ PHE 68 HZ PHE 68 1.284 -4.918 7.928 549 H GLU 69 HN GLU 69 1.476 -8.833 3.632 550 HA GLU 69 HA GLU 69 0.302 -10.615 5.485 551 1HB GLU 69 HB2 GLU 69 1.099 -8.452 6.820 552 2HB GLU 69 HB1 GLU 69 -0.419 -7.813 6.201 553 1HG GLU 69 HG2 GLU 69 -1.621 -9.674 7.230 554 2HG GLU 69 HG1 GLU 69 -0.099 -10.310 7.853 555 H LYS 70 HN LYS 70 -2.033 -10.651 5.304 556 HA LYS 70 HA LYS 70 -3.170 -8.932 3.234 557 1HB LYS 70 HB2 LYS 70 -4.195 -10.951 2.128 558 2HB LYS 70 HB1 LYS 70 -2.457 -10.785 1.917 559 1HG LYS 70 HG2 LYS 70 -2.352 -12.922 2.534 560 2HG LYS 70 HG1 LYS 70 -2.626 -12.326 4.173 561 1HD LYS 70 HD2 LYS 70 -4.996 -12.697 3.966 562 2HD LYS 70 HD1 LYS 70 -4.820 -13.126 2.264 563 1HE LYS 70 HE2 LYS 70 -4.751 -15.240 3.006 564 2HE LYS 70 HE1 LYS 70 -3.090 -14.863 3.459 565 1HZ LYS 70 HZ1 LYS 70 -5.491 -14.815 5.195 566 2HZ LYS 70 HZ2 LYS 70 -4.009 -14.146 5.659 567 3HZ LYS 70 HZ3 LYS 70 -4.126 -15.803 5.343 568 H LEU 71 HN LEU 71 -5.219 -8.347 3.675 569 HA LEU 71 HA LEU 71 -6.723 -9.944 5.634 570 1HB LEU 71 HB2 LEU 71 -7.445 -8.029 6.811 571 2HB LEU 71 HB1 LEU 71 -5.708 -7.875 6.641 572 HG LEU 71 HG LEU 71 -7.593 -6.494 4.748 573 1HD1 LEU 71 1HD1 LEU 71 -6.867 -5.771 7.534 574 2HD1 LEU 71 2HD1 LEU 71 -8.358 -5.480 6.639 575 3HD1 LEU 71 3HD1 LEU 71 -6.934 -4.485 6.329 576 1HD2 LEU 71 1HD2 LEU 71 -5.133 -5.153 5.419 577 2HD2 LEU 71 2HD2 LEU 71 -5.739 -5.666 3.847 578 3HD2 LEU 71 3HD2 LEU 71 -4.818 -6.790 4.846 579 H GLU 72 HN GLU 72 -8.773 -10.375 5.102 580 HA GLU 72 HA GLU 72 -9.981 -8.870 2.886 581 1HB GLU 72 HB2 GLU 72 -9.426 -10.875 1.836 582 2HB GLU 72 HB1 GLU 72 -9.724 -11.831 3.280 583 1HG GLU 72 HG2 GLU 72 -12.022 -11.820 2.965 584 2HG GLU 72 HG1 GLU 72 -11.965 -10.437 1.874 585 H TYR 73 HN TYR 73 -11.606 -7.758 3.744 586 HA TYR 73 HA TYR 73 -13.497 -9.177 5.489 587 1HB TYR 73 HB2 TYR 73 -13.794 -7.063 6.784 588 2HB TYR 73 HB1 TYR 73 -12.196 -7.777 6.962 589 HD1 TYR 73 HD1 TYR 73 -10.411 -6.863 5.208 590 HD2 TYR 73 HD2 TYR 73 -13.922 -4.790 6.422 591 HE1 TYR 73 HE1 TYR 73 -9.379 -4.736 4.537 592 HE2 TYR 73 HE2 TYR 73 -12.899 -2.655 5.753 593 HH TYR 73 HH TYR 73 -10.550 -1.751 5.461 594 H GLU 74 HN GLU 74 -15.677 -8.404 5.387 595 HA GLU 74 HA GLU 74 -16.222 -6.825 2.959 596 1HB GLU 74 HB2 GLU 74 -18.434 -8.128 2.950 597 2HB GLU 74 HB1 GLU 74 -16.981 -8.971 2.430 598 1HG GLU 74 HG2 GLU 74 -16.821 -9.838 4.808 599 2HG GLU 74 HG1 GLU 74 -18.462 -9.236 5.024 600 H PHE 75 HN PHE 75 -17.656 -5.210 3.046 601 HA PHE 75 HA PHE 75 -18.644 -4.441 5.692 602 1HB PHE 75 HB2 PHE 75 -17.594 -3.009 3.401 603 2HB PHE 75 HB1 PHE 75 -19.165 -2.371 3.869 604 HD1 PHE 75 HD1 PHE 75 -18.986 -0.492 5.160 605 HD2 PHE 75 HD2 PHE 75 -16.182 -3.643 5.722 606 HE1 PHE 75 HE1 PHE 75 -17.923 0.783 6.977 607 HE2 PHE 75 HE2 PHE 75 -15.115 -2.376 7.540 608 HZ PHE 75 HZ PHE 75 -15.984 -0.159 8.169 609 HA PRO 76 HA PRO 76 -22.953 -5.065 5.048 610 1HB PRO 76 HB2 PRO 76 -23.894 -2.402 5.048 611 2HB PRO 76 HB1 PRO 76 -23.784 -3.486 6.436 612 1HG PRO 76 HG2 PRO 76 -21.922 -1.344 5.553 613 2HG PRO 76 HG1 PRO 76 -22.310 -1.898 7.193 614 1HD PRO 76 HD2 PRO 76 -19.992 -2.537 6.014 615 2HD PRO 76 HD1 PRO 76 -20.834 -3.690 7.067 616 H ASP 77 HN ASP 77 -22.405 -5.724 2.864 617 HA ASP 77 HA ASP 77 -23.216 -5.867 0.714 618 1HB ASP 77 HB2 ASP 77 -24.048 -2.970 0.820 619 2HB ASP 77 HB1 ASP 77 -24.627 -4.231 -0.263 620 H ARG 78 HN ARG 78 -20.642 -4.500 1.831 621 HA ARG 78 HA ARG 78 -19.642 -3.763 -0.822 622 1HB ARG 78 HB2 ARG 78 -20.102 -1.665 0.362 623 2HB ARG 78 HB1 ARG 78 -19.108 -2.198 1.710 624 1HG ARG 78 HG2 ARG 78 -17.193 -2.340 0.050 625 2HG ARG 78 HG1 ARG 78 -18.237 -1.453 -1.063 626 1HD ARG 78 HD2 ARG 78 -17.985 0.486 0.050 627 2HD ARG 78 HD1 ARG 78 -18.053 -0.298 1.628 628 HE ARG 78 HE ARG 78 -15.626 -1.024 0.687 629 1HH1 ARG 78 1HH1 ARG 78 -17.224 2.060 1.023 630 2HH1 ARG 78 2HH1 ARG 78 -15.750 2.938 1.260 631 1HH2 ARG 78 1HH2 ARG 78 -13.685 0.131 0.999 632 2HH2 ARG 78 2HH2 ARG 78 -13.741 1.844 1.247 633 H HIS 79 HN HIS 79 -18.514 -5.683 -1.028 634 HA HIS 79 HA HIS 79 -16.825 -6.691 1.054 635 1HB HIS 79 HB2 HIS 79 -17.916 -8.117 -0.702 636 2HB HIS 79 HB1 HIS 79 -16.802 -7.431 -1.879 637 HD1 HIS 79 HD1 HIS 79 -14.245 -8.038 -1.556 638 HD2 HIS 79 HD2 HIS 79 -16.900 -10.166 0.829 639 HE1 HIS 79 HE1 HIS 79 -12.940 -10.004 -0.685 640 HE2 HIS 79 HE2 HIS 79 -14.592 -11.323 0.684 641 H ILE 80 HN ILE 80 -14.998 -5.706 1.626 642 HA ILE 80 HA ILE 80 -13.412 -4.365 -0.450 643 HB ILE 80 HB ILE 80 -13.993 -2.747 1.149 644 1HG1 ILE 80 2HG1 ILE 80 -11.308 -3.771 2.075 645 2HG1 ILE 80 1HG1 ILE 80 -11.558 -2.844 0.600 646 1HG2 ILE 80 1HG2 ILE 80 -14.909 -4.148 2.866 647 2HG2 ILE 80 2HG2 ILE 80 -13.701 -3.091 3.592 648 3HG2 ILE 80 3HG2 ILE 80 -13.313 -4.781 3.266 649 1HD1 ILE 80 1HD1 ILE 80 -10.726 -1.520 2.533 650 2HD1 ILE 80 2HD1 ILE 80 -12.256 -1.844 3.347 651 3HD1 ILE 80 3HD1 ILE 80 -12.236 -0.926 1.842 652 H THR 81 HN THR 81 -11.765 -5.556 -1.134 653 HA THR 81 HA THR 81 -10.432 -7.387 0.736 654 HB THR 81 HB THR 81 -9.653 -7.442 -2.109 655 HG1 THR 81 HG1 THR 81 -12.278 -8.106 -1.281 656 1HG2 THR 81 1HG2 THR 81 -9.664 -9.764 -1.863 657 2HG2 THR 81 2HG2 THR 81 -10.717 -9.696 -0.451 658 3HG2 THR 81 3HG2 THR 81 -9.047 -9.145 -0.332 659 H LEU 82 HN LEU 82 -8.503 -6.842 1.551 660 HA LEU 82 HA LEU 82 -6.886 -4.870 0.073 661 1HB LEU 82 HB2 LEU 82 -7.616 -4.976 2.967 662 2HB LEU 82 HB1 LEU 82 -6.085 -4.268 2.489 663 HG LEU 82 HG LEU 82 -8.740 -3.347 1.400 664 1HD1 LEU 82 1HD1 LEU 82 -8.685 -1.555 2.980 665 2HD1 LEU 82 2HD1 LEU 82 -7.125 -2.088 3.607 666 3HD1 LEU 82 3HD1 LEU 82 -8.563 -3.072 3.869 667 1HD2 LEU 82 1HD2 LEU 82 -6.620 -2.903 0.106 668 2HD2 LEU 82 2HD2 LEU 82 -6.092 -1.919 1.471 669 3HD2 LEU 82 3HD2 LEU 82 -7.545 -1.476 0.575 670 H TRP 83 HN TRP 83 -5.077 -5.778 -0.614 671 HA TRP 83 HA TRP 83 -3.850 -7.908 1.003 672 1HB TRP 83 HB2 TRP 83 -3.525 -7.227 -1.929 673 2HB TRP 83 HB1 TRP 83 -2.606 -8.474 -1.091 674 HD1 TRP 83 HD1 TRP 83 -6.369 -7.957 -0.564 675 HE1 TRP 83 HE1 TRP 83 -7.606 -10.053 -1.383 676 HE3 TRP 83 HE3 TRP 83 -2.422 -10.465 -2.618 677 HZ2 TRP 83 HZ2 TRP 83 -6.990 -12.463 -2.724 678 HZ3 TRP 83 HZ3 TRP 83 -2.829 -12.661 -3.649 679 HH2 TRP 83 HH2 TRP 83 -5.066 -13.639 -3.700 680 H PHE 84 HN PHE 84 -2.081 -7.423 2.104 681 HA PHE 84 HA PHE 84 -0.618 -4.981 1.407 682 1HB PHE 84 HB2 PHE 84 -0.884 -6.562 3.941 683 2HB PHE 84 HB1 PHE 84 0.511 -5.517 3.708 684 HD1 PHE 84 HD1 PHE 84 0.156 -3.804 5.258 685 HD2 PHE 84 HD2 PHE 84 -2.988 -4.944 2.619 686 HE1 PHE 84 HE1 PHE 84 -1.172 -1.879 6.011 687 HE2 PHE 84 HE2 PHE 84 -4.318 -3.016 3.370 688 HZ PHE 84 HZ PHE 84 -3.410 -1.481 5.069 689 H TRP 85 HN TRP 85 1.004 -5.304 0.039 690 HA TRP 85 HA TRP 85 2.462 -7.826 0.112 691 1HB TRP 85 HB2 TRP 85 2.308 -5.623 -1.931 692 2HB TRP 85 HB1 TRP 85 3.459 -6.952 -2.053 693 HD1 TRP 85 HD1 TRP 85 -0.377 -6.709 -1.452 694 HE1 TRP 85 HE1 TRP 85 -1.512 -8.511 -2.891 695 HE3 TRP 85 HE3 TRP 85 3.779 -8.767 -3.602 696 HZ2 TRP 85 HZ2 TRP 85 -0.750 -10.538 -4.705 697 HZ3 TRP 85 HZ3 TRP 85 3.489 -10.635 -5.178 698 HH2 TRP 85 HH2 TRP 85 1.271 -11.501 -5.717 699 H LEU 86 HN LEU 86 4.691 -7.984 0.205 700 HA LEU 86 HA LEU 86 5.983 -5.810 1.661 701 1HB LEU 86 HB2 LEU 86 6.089 -7.958 2.724 702 2HB LEU 86 HB1 LEU 86 6.713 -8.705 1.267 703 HG LEU 86 HG LEU 86 8.745 -7.177 1.540 704 1HD1 LEU 86 1HD1 LEU 86 7.227 -6.587 4.010 705 2HD1 LEU 86 2HD1 LEU 86 8.318 -5.565 3.074 706 3HD1 LEU 86 3HD1 LEU 86 8.973 -6.786 4.165 707 1HD2 LEU 86 1HD2 LEU 86 8.048 -9.468 3.337 708 2HD2 LEU 86 2HD2 LEU 86 9.617 -8.673 3.455 709 3HD2 LEU 86 3HD2 LEU 86 9.126 -9.431 1.941 710 H VAL 87 HN VAL 87 7.758 -4.760 0.963 711 HA VAL 87 HA VAL 87 8.815 -5.412 -1.718 712 HB VAL 87 HB VAL 87 8.598 -2.672 -0.527 713 1HG1 VAL 87 1HG1 VAL 87 10.254 -2.421 -2.058 714 2HG1 VAL 87 2HG1 VAL 87 8.867 -2.221 -3.128 715 3HG1 VAL 87 3HG1 VAL 87 9.699 -3.771 -3.038 716 1HG2 VAL 87 1HG2 VAL 87 6.938 -2.868 -2.777 717 2HG2 VAL 87 2HG2 VAL 87 6.428 -2.728 -1.095 718 3HG2 VAL 87 3HG2 VAL 87 6.623 -4.323 -1.830 719 H GLU 88 HN GLU 88 11.054 -5.165 -2.024 720 HA GLU 88 HA GLU 88 12.445 -4.782 0.536 721 1HB GLU 88 HB2 GLU 88 13.785 -6.209 -1.713 722 2HB GLU 88 HB1 GLU 88 13.975 -6.426 0.020 723 1HG GLU 88 HG2 GLU 88 11.507 -7.225 -1.500 724 2HG GLU 88 HG1 GLU 88 12.858 -8.311 -1.176 725 H ARG 89 HN ARG 89 12.367 -3.576 -2.751 726 HA ARG 89 HA ARG 89 14.158 -1.468 -1.988 727 1HB ARG 89 HB2 ARG 89 15.948 -2.860 -2.436 728 2HB ARG 89 HB1 ARG 89 15.099 -3.727 -3.700 729 1HG ARG 89 HG2 ARG 89 16.703 -2.557 -4.865 730 2HG ARG 89 HG1 ARG 89 15.293 -1.515 -5.029 731 1HD ARG 89 HD2 ARG 89 16.190 -0.328 -2.929 732 2HD ARG 89 HD1 ARG 89 17.697 -1.177 -3.264 733 HE ARG 89 HE ARG 89 16.645 0.277 -5.515 734 1HH1 ARG 89 1HH1 ARG 89 18.649 0.456 -2.662 735 2HH1 ARG 89 2HH1 ARG 89 19.574 1.799 -3.245 736 1HH2 ARG 89 1HH2 ARG 89 17.865 2.042 -6.282 737 2HH2 ARG 89 2HH2 ARG 89 19.130 2.699 -5.299 738 H TRP 90 HN TRP 90 14.490 0.129 -3.740 739 HA TRP 90 HA TRP 90 12.852 -0.108 -6.073 740 1HB TRP 90 HB2 TRP 90 11.194 1.438 -5.640 741 2HB TRP 90 HB1 TRP 90 11.374 0.677 -4.069 742 HD1 TRP 90 HD1 TRP 90 12.724 3.843 -5.882 743 HE1 TRP 90 HE1 TRP 90 12.847 5.739 -4.145 744 HE3 TRP 90 HE3 TRP 90 11.253 1.241 -1.733 745 HZ2 TRP 90 HZ2 TRP 90 12.378 6.085 -1.387 746 HZ3 TRP 90 HZ3 TRP 90 11.109 2.437 0.415 747 HH2 TRP 90 HH2 TRP 90 11.660 4.807 0.581 748 H GLU 91 HN GLU 91 13.837 0.825 -7.726 749 HA GLU 91 HA GLU 91 16.191 2.395 -7.279 750 1HB GLU 91 HB2 GLU 91 14.734 1.423 -9.715 751 2HB GLU 91 HB1 GLU 91 16.040 2.590 -9.865 752 1HG GLU 91 HG2 GLU 91 17.429 0.920 -8.510 753 2HG GLU 91 HG1 GLU 91 16.154 -0.238 -8.888 754 H GLY 92 HN GLY 92 16.584 4.539 -7.880 755 1HA GLY 92 HA2 GLY 92 16.085 6.778 -7.978 756 2HA GLY 92 HA1 GLY 92 14.826 6.299 -9.106 757 H GLU 93 HN GLU 93 13.008 7.288 -8.543 758 HA GLU 93 HA GLU 93 12.226 7.225 -5.705 759 1HB GLU 93 HB2 GLU 93 11.510 9.382 -7.695 760 2HB GLU 93 HB1 GLU 93 11.124 9.364 -5.980 761 1HG GLU 93 HG2 GLU 93 13.447 9.586 -5.403 762 2HG GLU 93 HG1 GLU 93 13.917 9.443 -7.096 763 HA PRO 94 HA PRO 94 8.597 5.143 -7.191 764 1HB PRO 94 HB2 PRO 94 7.169 5.867 -4.780 765 2HB PRO 94 HB1 PRO 94 7.850 4.302 -5.225 766 1HG PRO 94 HG2 PRO 94 8.819 5.842 -3.192 767 2HG PRO 94 HG1 PRO 94 9.811 4.698 -4.112 768 1HD PRO 94 HD2 PRO 94 9.578 7.672 -4.408 769 2HD PRO 94 HD1 PRO 94 11.028 6.643 -4.462 770 H TRP 95 HN TRP 95 7.062 5.832 -8.556 771 HA TRP 95 HA TRP 95 5.658 8.309 -7.867 772 1HB TRP 95 HB2 TRP 95 5.657 8.888 -10.327 773 2HB TRP 95 HB1 TRP 95 7.197 9.051 -9.500 774 HD1 TRP 95 HD1 TRP 95 9.154 7.410 -10.234 775 HE1 TRP 95 HE1 TRP 95 9.530 6.001 -12.361 776 HE3 TRP 95 HE3 TRP 95 4.368 7.338 -11.996 777 HZ2 TRP 95 HZ2 TRP 95 7.992 5.017 -14.508 778 HZ3 TRP 95 HZ3 TRP 95 3.900 6.151 -14.097 779 HH2 TRP 95 HH2 TRP 95 5.674 5.003 -15.321 780 H GLY 96 HN GLY 96 5.633 5.684 -10.269 781 1HA GLY 96 HA2 GLY 96 3.857 4.562 -11.235 782 2HA GLY 96 HA1 GLY 96 3.262 4.491 -9.587 783 H LYS 97 HN LYS 97 1.531 5.708 -8.987 784 HA LYS 97 HA LYS 97 0.594 8.037 -10.153 785 1HB LYS 97 HB2 LYS 97 0.294 6.090 -12.017 786 2HB LYS 97 HB1 LYS 97 -1.240 5.952 -11.172 787 1HG LYS 97 HG2 LYS 97 -1.352 7.440 -13.122 788 2HG LYS 97 HG1 LYS 97 -1.748 8.263 -11.613 789 1HD LYS 97 HD2 LYS 97 1.091 8.375 -12.296 790 2HD LYS 97 HD1 LYS 97 0.048 9.145 -13.493 791 1HE LYS 97 HE2 LYS 97 -0.387 9.720 -10.599 792 2HE LYS 97 HE1 LYS 97 0.961 10.492 -11.431 793 1HZ LYS 97 HZ1 LYS 97 -0.412 11.769 -12.663 794 2HZ LYS 97 HZ2 LYS 97 -1.466 11.529 -11.362 795 3HZ LYS 97 HZ3 LYS 97 -1.627 10.595 -12.763 796 H GLU 98 HN GLU 98 0.741 6.845 -7.572 797 HA GLU 98 HA GLU 98 -1.804 5.932 -6.721 798 1HB GLU 98 HB2 GLU 98 -0.886 6.144 -4.488 799 2HB GLU 98 HB1 GLU 98 0.296 5.410 -5.559 800 1HG GLU 98 HG2 GLU 98 0.274 8.192 -4.465 801 2HG GLU 98 HG1 GLU 98 1.454 6.927 -4.199 802 H GLY 99 HN GLY 99 -0.678 8.998 -7.595 803 1HA GLY 99 HA2 GLY 99 -1.666 11.065 -7.535 804 2HA GLY 99 HA1 GLY 99 -3.129 10.260 -6.996 805 H GLN 100 HN GLN 100 -0.297 9.828 -5.076 806 HA GLN 100 HA GLN 100 -1.062 12.004 -3.279 807 1HB GLN 100 HB2 GLN 100 -1.285 9.108 -2.704 808 2HB GLN 100 HB1 GLN 100 -0.593 10.106 -1.432 809 1HG GLN 100 HG2 GLN 100 -3.203 10.754 -2.760 810 2HG GLN 100 HG1 GLN 100 -3.081 9.723 -1.334 811 1HE2 GLN 100 1HE2 GLN 100 -4.576 11.634 -0.737 812 2HE2 GLN 100 2HE2 GLN 100 -3.801 12.948 0.074 813 HA PRO 101 HA PRO 101 3.430 12.412 -3.919 814 1HB PRO 101 HB2 PRO 101 2.615 14.470 -1.894 815 2HB PRO 101 HB1 PRO 101 3.772 14.617 -3.225 816 1HG PRO 101 HG2 PRO 101 1.349 15.618 -3.496 817 2HG PRO 101 HG1 PRO 101 2.078 14.712 -4.838 818 1HD PRO 101 HD2 PRO 101 -0.063 13.889 -2.938 819 2HD PRO 101 HD1 PRO 101 0.167 13.450 -4.643 820 H GLY 102 HN GLY 102 4.977 11.363 -2.797 821 1HA GLY 102 HA2 GLY 102 4.634 11.071 0.117 822 2HA GLY 102 HA1 GLY 102 4.996 9.671 -0.880 823 H GLU 103 HN GLU 103 6.697 9.970 1.046 824 HA GLU 103 HA GLU 103 9.144 10.796 -0.288 825 1HB GLU 103 HB2 GLU 103 8.015 12.140 2.114 826 2HB GLU 103 HB1 GLU 103 9.748 11.842 2.101 827 1HG GLU 103 HG2 GLU 103 8.497 13.114 -0.277 828 2HG GLU 103 HG1 GLU 103 8.742 14.078 1.178 829 H TRP 104 HN TRP 104 11.076 9.931 0.763 830 HA TRP 104 HA TRP 104 10.616 7.296 1.765 831 1HB TRP 104 HB2 TRP 104 13.317 8.519 2.071 832 2HB TRP 104 HB1 TRP 104 12.870 6.927 1.471 833 HD1 TRP 104 HD1 TRP 104 10.917 8.056 -0.896 834 HE1 TRP 104 HE1 TRP 104 12.030 9.045 -2.997 835 HE3 TRP 104 HE3 TRP 104 15.532 9.101 1.042 836 HZ2 TRP 104 HZ2 TRP 104 14.531 10.125 -3.734 837 HZ3 TRP 104 HZ3 TRP 104 17.226 10.112 -0.428 838 HH2 TRP 104 HH2 TRP 104 16.735 10.612 -2.767 839 H MET 105 HN MET 105 9.807 7.036 3.745 840 HA MET 105 HA MET 105 11.040 8.544 5.956 841 1HB MET 105 HB2 MET 105 8.927 8.457 7.138 842 2HB MET 105 HB1 MET 105 8.687 9.186 5.557 843 1HG MET 105 HG2 MET 105 7.493 7.398 4.757 844 2HG MET 105 HG1 MET 105 8.225 6.264 5.892 845 1HE MET 105 HE1 MET 105 5.802 8.659 4.918 846 2HE MET 105 HE2 MET 105 5.146 9.400 6.378 847 3HE MET 105 HE3 MET 105 4.392 7.954 5.707 848 H SER 106 HN SER 106 11.322 7.440 7.952 849 HA SER 106 HA SER 106 12.033 4.682 7.626 850 1HB SER 106 HB2 SER 106 12.605 4.854 10.087 851 2HB SER 106 HB1 SER 106 13.438 6.008 9.044 852 HG SER 106 HG SER 106 12.588 7.004 10.919 853 H LEU 107 HN LEU 107 10.607 3.079 7.695 854 HA LEU 107 HA LEU 107 7.962 3.298 8.554 855 1HB LEU 107 HB2 LEU 107 9.626 1.286 7.439 856 2HB LEU 107 HB1 LEU 107 8.818 0.584 8.826 857 HG LEU 107 HG LEU 107 7.591 1.706 6.324 858 1HD1 LEU 107 1HD1 LEU 107 6.686 -0.807 7.563 859 2HD1 LEU 107 2HD1 LEU 107 8.335 -0.806 6.937 860 3HD1 LEU 107 3HD1 LEU 107 6.985 -0.415 5.870 861 1HD2 LEU 107 1HD2 LEU 107 5.455 0.926 7.817 862 2HD2 LEU 107 2HD2 LEU 107 5.978 2.597 7.604 863 3HD2 LEU 107 3HD2 LEU 107 6.475 1.692 9.035 864 H VAL 108 HN VAL 108 10.832 2.826 10.380 865 HA VAL 108 HA VAL 108 9.985 1.396 12.582 866 HB VAL 108 HB VAL 108 12.306 2.106 12.261 867 1HG1 VAL 108 1HG1 VAL 108 13.012 4.241 12.154 868 2HG1 VAL 108 2HG1 VAL 108 11.882 4.789 13.392 869 3HG1 VAL 108 3HG1 VAL 108 11.331 4.566 11.731 870 1HG2 VAL 108 1HG2 VAL 108 12.719 1.899 14.450 871 2HG2 VAL 108 2HG2 VAL 108 10.968 1.869 14.648 872 3HG2 VAL 108 3HG2 VAL 108 11.850 3.382 14.844 873 H GLY 109 HN GLY 109 9.003 4.546 11.578 874 1HA GLY 109 HA2 GLY 109 7.841 5.095 14.222 875 2HA GLY 109 HA1 GLY 109 8.099 6.286 12.958 876 H LEU 110 HN LEU 110 6.695 3.128 12.384 877 HA LEU 110 HA LEU 110 4.460 4.165 11.019 878 1HB LEU 110 HB2 LEU 110 5.511 1.813 10.915 879 2HB LEU 110 HB1 LEU 110 4.523 1.454 12.316 880 HG LEU 110 HG LEU 110 3.368 0.648 10.393 881 1HD1 LEU 110 1HD1 LEU 110 1.291 1.630 10.685 882 2HD1 LEU 110 2HD1 LEU 110 1.969 3.236 10.931 883 3HD1 LEU 110 3HD1 LEU 110 2.123 2.011 12.191 884 1HD2 LEU 110 1HD2 LEU 110 2.765 2.963 8.901 885 2HD2 LEU 110 2HD2 LEU 110 3.700 1.555 8.403 886 3HD2 LEU 110 3HD2 LEU 110 4.512 2.937 9.137 887 H ASN 111 HN ASN 111 2.574 4.960 11.747 888 HA ASN 111 HA ASN 111 1.834 4.379 14.526 889 1HB ASN 111 HB2 ASN 111 2.397 6.891 13.298 890 2HB ASN 111 HB1 ASN 111 0.703 6.854 13.767 891 1HD2 ASN 111 1HD2 ASN 111 0.707 8.146 15.503 892 2HD2 ASN 111 2HD2 ASN 111 1.636 7.871 16.934 893 H ALA 112 HN ALA 112 -0.117 3.640 14.920 894 HA ALA 112 HA ALA 112 -1.884 3.032 12.765 895 1HB ALA 112 HB1 ALA 112 -1.490 1.863 15.137 896 2HB ALA 112 HB2 ALA 112 -2.995 1.692 14.231 897 3HB ALA 112 HB3 ALA 112 -2.886 2.859 15.551 898 H ASP 113 HN ASP 113 -1.392 5.762 14.722 899 HA ASP 113 HA ASP 113 -4.091 6.738 14.740 900 1HB ASP 113 HB2 ASP 113 -2.224 7.293 16.414 901 2HB ASP 113 HB1 ASP 113 -1.626 8.409 15.189 902 H ASP 114 HN ASP 114 -1.128 7.618 12.945 903 HA ASP 114 HA ASP 114 -2.372 9.626 11.387 904 1HB ASP 114 HB2 ASP 114 -0.213 8.568 9.890 905 2HB ASP 114 HB1 ASP 114 -0.253 10.046 10.833 906 H PHE 115 HN PHE 115 -1.807 6.192 10.857 907 HA PHE 115 HA PHE 115 -2.887 6.238 8.188 908 1HB PHE 115 HB2 PHE 115 -2.019 4.143 8.040 909 2HB PHE 115 HB1 PHE 115 -1.228 4.526 9.574 910 HD1 PHE 115 HD1 PHE 115 -3.138 4.292 11.556 911 HD2 PHE 115 HD2 PHE 115 -2.814 1.977 8.020 912 HE1 PHE 115 HE1 PHE 115 -4.321 2.450 12.675 913 HE2 PHE 115 HE2 PHE 115 -3.993 0.130 9.121 914 HZ PHE 115 HZ PHE 115 -4.752 0.367 11.450 915 HA PRO 116 HA PRO 116 -7.152 5.448 9.087 916 1HB PRO 116 HB2 PRO 116 -7.852 3.305 7.579 917 2HB PRO 116 HB1 PRO 116 -7.514 4.893 6.879 918 1HG PRO 116 HG2 PRO 116 -5.743 2.486 7.061 919 2HG PRO 116 HG1 PRO 116 -5.984 3.598 5.701 920 1HD PRO 116 HD2 PRO 116 -3.843 3.750 7.358 921 2HD PRO 116 HD1 PRO 116 -4.549 5.175 6.572 922 HA PRO 117 HA PRO 117 -6.906 2.530 12.500 923 1HB PRO 117 HB2 PRO 117 -9.503 2.837 13.335 924 2HB PRO 117 HB1 PRO 117 -8.183 3.930 13.764 925 1HG PRO 117 HG2 PRO 117 -10.262 4.215 11.630 926 2HG PRO 117 HG1 PRO 117 -9.631 5.437 12.752 927 1HD PRO 117 HD2 PRO 117 -8.811 5.317 10.199 928 2HD PRO 117 HD1 PRO 117 -7.698 5.757 11.512 929 H ALA 118 HN ALA 118 -8.993 2.315 9.777 930 HA ALA 118 HA ALA 118 -10.366 -0.064 10.503 931 1HB ALA 118 HB1 ALA 118 -10.019 1.488 7.987 932 2HB ALA 118 HB2 ALA 118 -11.491 1.094 8.876 933 3HB ALA 118 HB3 ALA 118 -10.685 -0.143 7.910 934 H ASN 119 HN ASN 119 -7.147 0.430 9.668 935 HA ASN 119 HA ASN 119 -6.891 -2.388 8.846 936 1HB ASN 119 HB2 ASN 119 -5.937 0.065 7.597 937 2HB ASN 119 HB1 ASN 119 -4.649 -1.112 7.834 938 1HD2 ASN 119 1HD2 ASN 119 -8.092 -1.460 7.076 939 2HD2 ASN 119 2HD2 ASN 119 -7.859 -2.356 5.618 940 H GLU 120 HN GLU 120 -6.762 -1.452 11.560 941 HA GLU 120 HA GLU 120 -4.059 -1.114 12.367 942 1HB GLU 120 HB2 GLU 120 -6.614 -1.096 13.620 943 2HB GLU 120 HB1 GLU 120 -5.570 -2.187 14.521 944 1HG GLU 120 HG2 GLU 120 -3.918 -0.076 14.153 945 2HG GLU 120 HG1 GLU 120 -5.483 0.729 14.256 946 HA PRO 121 HA PRO 121 -4.547 -5.898 13.520 947 1HB PRO 121 HB2 PRO 121 -5.926 -6.645 10.990 948 2HB PRO 121 HB1 PRO 121 -6.112 -7.315 12.615 949 1HG PRO 121 HG2 PRO 121 -7.968 -5.703 11.588 950 2HG PRO 121 HG1 PRO 121 -7.520 -5.604 13.302 951 1HD PRO 121 HD2 PRO 121 -6.770 -3.805 11.037 952 2HD PRO 121 HD1 PRO 121 -7.142 -3.400 12.726 953 H VAL 122 HN VAL 122 -4.358 -4.805 10.147 954 HA VAL 122 HA VAL 122 -2.250 -6.627 9.460 955 HB VAL 122 HB VAL 122 -2.975 -4.146 7.916 956 1HG1 VAL 122 1HG1 VAL 122 -1.932 -6.844 7.068 957 2HG1 VAL 122 2HG1 VAL 122 -1.000 -5.351 7.174 958 3HG1 VAL 122 3HG1 VAL 122 -2.300 -5.497 5.990 959 1HG2 VAL 122 1HG2 VAL 122 -4.988 -4.909 7.388 960 2HG2 VAL 122 2HG2 VAL 122 -4.790 -6.162 8.612 961 3HG2 VAL 122 3HG2 VAL 122 -4.328 -6.482 6.942 962 H ILE 123 HN ILE 123 -2.485 -3.122 9.902 963 HA ILE 123 HA ILE 123 0.267 -2.605 9.586 964 HB ILE 123 HB ILE 123 -2.067 -1.063 10.616 965 1HG1 ILE 123 2HG1 ILE 123 -1.013 -1.392 8.160 966 2HG1 ILE 123 1HG1 ILE 123 -1.867 0.064 8.646 967 1HG2 ILE 123 1HG2 ILE 123 -0.526 0.879 11.030 968 2HG2 ILE 123 2HG2 ILE 123 0.808 -0.274 11.014 969 3HG2 ILE 123 3HG2 ILE 123 -0.459 -0.409 12.234 970 1HD1 ILE 123 1HD1 ILE 123 1.113 -0.323 8.661 971 2HD1 ILE 123 2HD1 ILE 123 0.258 1.143 9.152 972 3HD1 ILE 123 3HD1 ILE 123 0.183 0.597 7.475 973 H ALA 124 HN ALA 124 -1.665 -3.553 12.334 974 HA ALA 124 HA ALA 124 -0.018 -2.785 14.436 975 1HB ALA 124 HB1 ALA 124 -2.156 -3.660 14.958 976 2HB ALA 124 HB2 ALA 124 -0.986 -4.799 15.624 977 3HB ALA 124 HB3 ALA 124 -1.822 -5.174 14.117 978 H LYS 125 HN LYS 125 0.263 -5.409 12.153 979 HA LYS 125 HA LYS 125 2.237 -6.913 13.508 980 1HB LYS 125 HB2 LYS 125 0.830 -7.623 11.506 981 2HB LYS 125 HB1 LYS 125 1.957 -6.711 10.512 982 1HG LYS 125 HG2 LYS 125 3.178 -8.639 12.369 983 2HG LYS 125 HG1 LYS 125 2.209 -9.331 11.066 984 1HD LYS 125 HD2 LYS 125 3.566 -8.402 9.404 985 2HD LYS 125 HD1 LYS 125 4.276 -7.228 10.515 986 1HE LYS 125 HE2 LYS 125 6.003 -8.694 10.460 987 2HE LYS 125 HE1 LYS 125 5.058 -9.474 11.727 988 1HZ LYS 125 HZ1 LYS 125 5.405 -11.235 10.360 989 2HZ LYS 125 HZ2 LYS 125 5.487 -10.296 8.955 990 3HZ LYS 125 HZ3 LYS 125 3.985 -10.650 9.650 991 H LEU 126 HN LEU 126 2.542 -4.491 10.907 992 HA LEU 126 HA LEU 126 5.411 -4.461 11.084 993 1HB LEU 126 HB2 LEU 126 3.551 -3.703 9.180 994 2HB LEU 126 HB1 LEU 126 4.185 -2.173 9.751 995 HG LEU 126 HG LEU 126 6.432 -2.803 9.149 996 1HD1 LEU 126 1HD1 LEU 126 5.424 -5.443 9.340 997 2HD1 LEU 126 2HD1 LEU 126 7.086 -4.917 9.073 998 3HD1 LEU 126 3HD1 LEU 126 6.023 -5.212 7.697 999 1HD2 LEU 126 1HD2 LEU 126 4.988 -1.858 7.400 1000 2HD2 LEU 126 2HD2 LEU 126 4.525 -3.489 6.915 1001 3HD2 LEU 126 3HD2 LEU 126 6.198 -2.958 6.738 1002 H LYS 127 HN LYS 127 2.782 -2.609 12.417 1003 HA LYS 127 HA LYS 127 4.062 -0.255 13.140 1004 1HB LYS 127 HB2 LYS 127 1.625 -0.819 13.340 1005 2HB LYS 127 HB1 LYS 127 2.008 -1.694 14.810 1006 1HG LYS 127 HG2 LYS 127 2.713 0.286 15.909 1007 2HG LYS 127 HG1 LYS 127 2.650 1.214 14.409 1008 1HD LYS 127 HD2 LYS 127 0.422 1.522 14.548 1009 2HD LYS 127 HD1 LYS 127 0.135 -0.112 15.149 1010 1HE LYS 127 HE2 LYS 127 -0.470 1.548 16.825 1011 2HE LYS 127 HE1 LYS 127 0.892 0.571 17.371 1012 1HZ LYS 127 HZ1 LYS 127 2.198 2.568 16.243 1013 2HZ LYS 127 HZ2 LYS 127 1.708 2.604 17.861 1014 3HZ LYS 127 HZ3 LYS 127 0.792 3.401 16.684 1015 H ARG 128 HN ARG 128 3.894 -3.346 14.839 1016 HA ARG 128 HA ARG 128 5.391 -2.433 17.100 1017 1HB ARG 128 HB2 ARG 128 3.863 -4.264 17.404 1018 2HB ARG 128 HB1 ARG 128 4.634 -5.189 16.125 1019 1HG ARG 128 HG2 ARG 128 6.614 -5.480 17.464 1020 2HG ARG 128 HG1 ARG 128 5.959 -4.428 18.720 1021 1HD ARG 128 HD2 ARG 128 5.573 -6.601 19.506 1022 2HD ARG 128 HD1 ARG 128 4.020 -6.079 18.853 1023 HE ARG 128 HE ARG 128 5.641 -7.513 16.963 1024 1HH1 ARG 128 1HH1 ARG 128 3.312 -7.821 19.543 1025 2HH1 ARG 128 2HH1 ARG 128 2.747 -9.371 19.018 1026 1HH2 ARG 128 1HH2 ARG 128 4.900 -9.552 16.269 1027 2HH2 ARG 128 2HH2 ARG 128 3.648 -10.354 17.160 1028 H LEU 129 HN LEU 129 6.231 -3.005 13.955 1029 HA LEU 129 HA LEU 129 8.154 -3.530 12.840 1030 1HB LEU 129 HB2 LEU 129 10.124 -2.578 14.633 1031 2HB LEU 129 HB1 LEU 129 9.467 -1.783 13.219 1032 HG LEU 129 HG LEU 129 7.546 -1.162 15.005 1033 1HD1 LEU 129 1HD1 LEU 129 9.753 -0.604 16.805 1034 2HD1 LEU 129 2HD1 LEU 129 9.443 -2.331 16.631 1035 3HD1 LEU 129 3HD1 LEU 129 8.148 -1.251 17.146 1036 1HD2 LEU 129 1HD2 LEU 129 8.379 0.618 13.847 1037 2HD2 LEU 129 2HD2 LEU 129 10.057 0.170 14.148 1038 3HD2 LEU 129 3HD2 LEU 129 9.105 0.927 15.424 1039 1HO1 MO2 130 1HO1 MO2 130 -5.556 5.126 -8.611 1040 2HO1 MO2 130 2HO1 MO2 130 -6.437 2.559 -11.000 1041 1HO2 MO2 130 1HO2 MO2 130 -6.294 3.992 -7.935 1042 2HO2 MO2 130 2HO2 MO2 130 -5.241 2.374 -11.906 1043 1H5* 8OG 131 1H5* 8OG 131 -11.976 3.352 -2.549 1044 2H5* 8OG 131 2H5* 8OG 131 -11.718 3.508 -0.838 1045 H4* 8OG 131 1H4* 8OG 131 -10.027 2.011 -2.828 1046 H3* 8OG 131 1H3* 8OG 131 -12.250 1.141 -1.303 1047 1H2* 8OG 131 1H2* 8OG 131 -11.324 0.011 0.389 1048 2H2* 8OG 131 2H2* 8OG 131 -10.327 -0.888 -0.731 1049 H1* 8OG 131 1H1* 8OG 131 -8.532 0.279 -0.175 1050 H1 8OG 131 H1 8OG 131 -5.647 0.121 5.028 1051 H7 8OG 131 H7 8OG 131 -10.297 1.806 4.375 1052 1H2 8OG 131 H21 8OG 131 -4.513 -0.699 1.821 1053 2H2 8OG 131 H22 8OG 131 -4.143 -0.632 3.511 1054 H3T 8OG 131 *HO1 8OG 131 -11.766 0.540 -3.497 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -24.795 -6.929 -6.422 2 2H MET 1 HT2 MET 1 -24.693 -5.817 -5.118 3 3H MET 1 HT3 MET 1 -25.509 -7.312 -4.910 4 HA MET 1 HA MET 1 -23.485 -7.570 -3.877 5 1HB MET 1 HB2 MET 1 -23.425 -8.714 -6.676 6 2HB MET 1 HB1 MET 1 -22.379 -9.250 -5.369 7 1HG MET 1 HG2 MET 1 -24.502 -9.752 -4.076 8 2HG MET 1 HG1 MET 1 -25.355 -9.528 -5.602 9 1HE MET 1 HE1 MET 1 -25.667 -11.873 -3.912 10 2HE MET 1 HE2 MET 1 -25.087 -13.392 -4.595 11 3HE MET 1 HE3 MET 1 -26.240 -12.405 -5.493 12 H LYS 2 HN LYS 2 -22.584 -5.394 -3.758 13 HA LYS 2 HA LYS 2 -20.812 -4.504 -5.845 14 1HB LYS 2 HB2 LYS 2 -22.185 -3.094 -4.113 15 2HB LYS 2 HB1 LYS 2 -20.793 -3.367 -3.074 16 1HG LYS 2 HG2 LYS 2 -19.572 -1.847 -4.141 17 2HG LYS 2 HG1 LYS 2 -20.023 -2.480 -5.726 18 1HD LYS 2 HD2 LYS 2 -22.333 -1.312 -5.081 19 2HD LYS 2 HD1 LYS 2 -21.245 -0.302 -4.126 20 1HE LYS 2 HE2 LYS 2 -21.522 0.728 -6.264 21 2HE LYS 2 HE1 LYS 2 -19.892 0.063 -6.188 22 1HZ LYS 2 HZ1 LYS 2 -20.466 -0.773 -8.179 23 2HZ LYS 2 HZ2 LYS 2 -22.127 -0.703 -7.873 24 3HZ LYS 2 HZ3 LYS 2 -21.207 -1.983 -7.258 25 H LYS 3 HN LYS 3 -18.663 -4.776 -5.989 26 HA LYS 3 HA LYS 3 -17.192 -5.811 -3.681 27 1HB LYS 3 HB2 LYS 3 -16.152 -7.573 -4.966 28 2HB LYS 3 HB1 LYS 3 -17.899 -7.756 -5.045 29 1HG LYS 3 HG2 LYS 3 -17.942 -6.829 -7.268 30 2HG LYS 3 HG1 LYS 3 -16.213 -6.485 -7.192 31 1HD LYS 3 HD2 LYS 3 -16.994 -9.279 -6.659 32 2HD LYS 3 HD1 LYS 3 -17.257 -8.709 -8.308 33 1HE LYS 3 HE2 LYS 3 -14.658 -7.985 -7.144 34 2HE LYS 3 HE1 LYS 3 -14.912 -9.715 -7.371 35 1HZ LYS 3 HZ1 LYS 3 -15.657 -8.017 -9.607 36 2HZ LYS 3 HZ2 LYS 3 -14.874 -9.516 -9.599 37 3HZ LYS 3 HZ3 LYS 3 -14.000 -8.105 -9.275 38 H LEU 4 HN LEU 4 -15.242 -4.912 -3.446 39 HA LEU 4 HA LEU 4 -13.874 -3.743 -5.740 40 1HB LEU 4 HB2 LEU 4 -13.682 -1.572 -4.817 41 2HB LEU 4 HB1 LEU 4 -15.380 -2.003 -4.717 42 HG LEU 4 HG LEU 4 -14.648 -2.780 -2.276 43 1HD1 LEU 4 1HD1 LEU 4 -12.608 -2.147 -1.693 44 2HD1 LEU 4 2HD1 LEU 4 -13.100 -0.467 -1.895 45 3HD1 LEU 4 3HD1 LEU 4 -12.369 -1.341 -3.241 46 1HD2 LEU 4 1HD2 LEU 4 -16.427 -1.277 -2.550 47 2HD2 LEU 4 2HD2 LEU 4 -15.389 -0.043 -3.264 48 3HD2 LEU 4 3HD2 LEU 4 -15.262 -0.416 -1.545 49 H GLN 5 HN GLN 5 -11.841 -4.456 -5.652 50 HA GLN 5 HA GLN 5 -10.722 -5.228 -3.057 51 1HB GLN 5 HB2 GLN 5 -9.563 -5.858 -5.762 52 2HB GLN 5 HB1 GLN 5 -9.237 -6.656 -4.237 53 1HG GLN 5 HG2 GLN 5 -11.597 -7.439 -4.218 54 2HG GLN 5 HG1 GLN 5 -11.782 -6.750 -5.825 55 1HE2 GLN 5 1HE2 GLN 5 -10.647 -7.677 -7.564 56 2HE2 GLN 5 2HE2 GLN 5 -10.044 -9.294 -7.484 57 H ILE 6 HN ILE 6 -8.517 -4.780 -2.564 58 HA ILE 6 HA ILE 6 -7.214 -2.627 -4.011 59 HB ILE 6 HB ILE 6 -7.568 -2.401 -1.035 60 1HG1 ILE 6 2HG1 ILE 6 -9.234 -0.531 -1.745 61 2HG1 ILE 6 1HG1 ILE 6 -9.376 -1.451 -3.237 62 1HG2 ILE 6 1HG2 ILE 6 -5.859 -1.180 -2.726 63 2HG2 ILE 6 2HG2 ILE 6 -6.433 -0.479 -1.213 64 3HG2 ILE 6 3HG2 ILE 6 -7.206 -0.043 -2.737 65 1HD1 ILE 6 1HD1 ILE 6 -10.718 -1.857 -0.797 66 2HD1 ILE 6 2HD1 ILE 6 -9.643 -3.234 -1.039 67 3HD1 ILE 6 3HD1 ILE 6 -10.825 -2.810 -2.277 68 H ALA 7 HN ALA 7 -5.059 -2.933 -4.070 69 HA ALA 7 HA ALA 7 -3.865 -4.767 -2.087 70 1HB ALA 7 HB1 ALA 7 -3.895 -4.922 -4.996 71 2HB ALA 7 HB2 ALA 7 -3.482 -6.155 -3.804 72 3HB ALA 7 HB3 ALA 7 -2.268 -4.988 -4.324 73 H VAL 8 HN VAL 8 -2.261 -3.832 -0.949 74 HA VAL 8 HA VAL 8 -0.819 -1.600 -2.211 75 HB VAL 8 HB VAL 8 -1.529 -0.167 -0.676 76 1HG1 VAL 8 1HG1 VAL 8 -3.000 -2.544 0.410 77 2HG1 VAL 8 2HG1 VAL 8 -3.625 -1.186 -0.526 78 3HG1 VAL 8 3HG1 VAL 8 -3.131 -0.950 1.151 79 1HG2 VAL 8 1HG2 VAL 8 -0.464 -2.084 1.396 80 2HG2 VAL 8 2HG2 VAL 8 -0.959 -0.422 1.713 81 3HG2 VAL 8 3HG2 VAL 8 0.409 -0.747 0.649 82 H GLY 9 HN GLY 9 1.297 -1.158 -1.346 83 1HA GLY 9 HA2 GLY 9 2.548 -3.248 0.249 84 2HA GLY 9 HA1 GLY 9 3.124 -3.084 -1.405 85 H ILE 10 HN ILE 10 4.252 -2.513 1.413 86 HA ILE 10 HA ILE 10 4.847 0.327 1.212 87 HB ILE 10 HB ILE 10 6.529 -0.878 3.166 88 1HG1 ILE 10 2HG1 ILE 10 3.645 -1.779 3.363 89 2HG1 ILE 10 1HG1 ILE 10 5.051 -2.822 3.172 90 1HG2 ILE 10 1HG2 ILE 10 5.801 0.849 4.391 91 2HG2 ILE 10 2HG2 ILE 10 4.102 0.471 4.102 92 3HG2 ILE 10 3HG2 ILE 10 5.025 1.363 2.894 93 1HD1 ILE 10 1HD1 ILE 10 3.955 -1.554 5.567 94 2HD1 ILE 10 2HD1 ILE 10 5.710 -1.456 5.418 95 3HD1 ILE 10 3HD1 ILE 10 4.909 -3.026 5.390 96 H ILE 11 HN ILE 11 6.334 0.971 -0.187 97 HA ILE 11 HA ILE 11 8.305 -0.771 -1.271 98 HB ILE 11 HB ILE 11 8.526 2.203 -1.499 99 1HG1 ILE 11 2HG1 ILE 11 6.416 0.431 -2.725 100 2HG1 ILE 11 1HG1 ILE 11 6.207 1.971 -1.897 101 1HG2 ILE 11 1HG2 ILE 11 10.000 0.225 -2.543 102 2HG2 ILE 11 2HG2 ILE 11 9.744 1.768 -3.356 103 3HG2 ILE 11 3HG2 ILE 11 8.772 0.365 -3.799 104 1HD1 ILE 11 1HD1 ILE 11 7.238 3.131 -3.763 105 2HD1 ILE 11 2HD1 ILE 11 5.861 2.169 -4.303 106 3HD1 ILE 11 3HD1 ILE 11 7.505 1.592 -4.582 107 H ARG 12 HN ARG 12 10.223 -1.280 -0.505 108 HA ARG 12 HA ARG 12 11.256 0.051 1.840 109 1HB ARG 12 HB2 ARG 12 11.614 -2.520 0.550 110 2HB ARG 12 HB1 ARG 12 13.151 -1.815 1.028 111 1HG ARG 12 HG2 ARG 12 11.209 -1.529 3.130 112 2HG ARG 12 HG1 ARG 12 11.354 -3.211 2.631 113 1HD ARG 12 HD2 ARG 12 13.959 -2.028 2.809 114 2HD ARG 12 HD1 ARG 12 13.075 -1.747 4.307 115 HE ARG 12 HE ARG 12 13.107 -4.014 4.738 116 1HH1 ARG 12 1HH1 ARG 12 14.309 -3.403 1.515 117 2HH1 ARG 12 2HH1 ARG 12 14.930 -5.006 1.311 118 1HH2 ARG 12 1HH2 ARG 12 13.924 -6.120 4.465 119 2HH2 ARG 12 2HH2 ARG 12 14.712 -6.547 2.983 120 H ASN 13 HN ASN 13 12.631 1.626 1.843 121 HA ASN 13 HA ASN 13 13.891 2.546 -0.565 122 1HB ASN 13 HB2 ASN 13 12.947 3.959 1.362 123 2HB ASN 13 HB1 ASN 13 14.471 3.633 2.134 124 1HD2 ASN 13 1HD2 ASN 13 14.028 4.100 -1.312 125 2HD2 ASN 13 2HD2 ASN 13 14.901 5.585 -1.406 126 H GLU 14 HN GLU 14 16.192 3.564 0.091 127 HA GLU 14 HA GLU 14 17.951 1.280 0.154 128 1HB GLU 14 HB2 GLU 14 18.375 3.000 -1.471 129 2HB GLU 14 HB1 GLU 14 18.414 4.240 -0.223 130 1HG GLU 14 HG2 GLU 14 20.363 2.050 0.080 131 2HG GLU 14 HG1 GLU 14 20.604 3.112 -1.306 132 H ASN 15 HN ASN 15 16.566 3.000 2.592 133 HA ASN 15 HA ASN 15 18.822 2.424 4.377 134 1HB ASN 15 HB2 ASN 15 18.840 4.847 3.862 135 2HB ASN 15 HB1 ASN 15 17.196 4.972 4.480 136 1HD2 ASN 15 1HD2 ASN 15 18.068 6.537 5.952 137 2HD2 ASN 15 2HD2 ASN 15 18.861 6.014 7.394 138 H ASN 16 HN ASN 16 16.822 0.672 4.149 139 HA ASN 16 HA ASN 16 15.085 -0.394 5.185 140 1HB ASN 16 HB2 ASN 16 15.447 0.330 7.886 141 2HB ASN 16 HB1 ASN 16 16.033 -1.115 7.074 142 1HD2 ASN 16 1HD2 ASN 16 18.149 -1.023 6.101 143 2HD2 ASN 16 2HD2 ASN 16 19.355 0.011 6.780 144 H GLU 17 HN GLU 17 14.589 2.395 4.346 145 HA GLU 17 HA GLU 17 12.381 3.022 6.193 146 1HB GLU 17 HB2 GLU 17 12.543 5.359 5.288 147 2HB GLU 17 HB1 GLU 17 13.937 4.848 6.229 148 1HG GLU 17 HG2 GLU 17 15.059 4.291 4.046 149 2HG GLU 17 HG1 GLU 17 13.719 5.109 3.246 150 H ILE 18 HN ILE 18 10.383 3.719 5.196 151 HA ILE 18 HA ILE 18 10.181 2.996 2.347 152 HB ILE 18 HB ILE 18 8.381 2.113 4.587 153 1HG1 ILE 18 2HG1 ILE 18 9.260 0.184 2.567 154 2HG1 ILE 18 1HG1 ILE 18 10.584 0.913 3.470 155 1HG2 ILE 18 1HG2 ILE 18 7.302 0.951 2.392 156 2HG2 ILE 18 2HG2 ILE 18 7.764 2.527 1.749 157 3HG2 ILE 18 3HG2 ILE 18 6.687 2.424 3.141 158 1HD1 ILE 18 1HD1 ILE 18 9.685 0.143 5.536 159 2HD1 ILE 18 2HD1 ILE 18 9.726 -1.216 4.414 160 3HD1 ILE 18 3HD1 ILE 18 8.202 -0.396 4.749 161 H PHE 19 HN PHE 19 8.794 4.175 1.107 162 HA PHE 19 HA PHE 19 7.854 6.671 2.274 163 1HB PHE 19 HB2 PHE 19 8.447 7.548 0.299 164 2HB PHE 19 HB1 PHE 19 9.009 5.957 -0.197 165 HD1 PHE 19 HD1 PHE 19 6.488 8.508 -0.610 166 HD2 PHE 19 HD2 PHE 19 7.506 4.472 -1.493 167 HE1 PHE 19 HE1 PHE 19 4.780 8.470 -2.380 168 HE2 PHE 19 HE2 PHE 19 5.801 4.425 -3.267 169 HZ PHE 19 HZ PHE 19 4.435 6.426 -3.713 170 H ILE 20 HN ILE 20 5.794 6.983 2.832 171 HA ILE 20 HA ILE 20 3.755 5.202 1.686 172 HB ILE 20 HB ILE 20 2.624 6.370 3.929 173 1HG1 ILE 20 2HG1 ILE 20 4.356 5.544 5.694 174 2HG1 ILE 20 1HG1 ILE 20 5.530 5.815 4.413 175 1HG2 ILE 20 1HG2 ILE 20 2.013 4.216 3.672 176 2HG2 ILE 20 2HG2 ILE 20 3.277 3.955 4.873 177 3HG2 ILE 20 3HG2 ILE 20 3.622 3.707 3.161 178 1HD1 ILE 20 1HD1 ILE 20 5.042 7.686 6.124 179 2HD1 ILE 20 2HD1 ILE 20 3.597 7.963 5.152 180 3HD1 ILE 20 3HD1 ILE 20 5.194 8.097 4.417 181 H THR 21 HN THR 21 2.260 6.136 0.437 182 HA THR 21 HA THR 21 2.264 8.958 0.004 183 HB THR 21 HB THR 21 1.762 7.627 -1.884 184 HG1 THR 21 HG1 THR 21 -0.756 8.582 -1.015 185 1HG2 THR 21 1HG2 THR 21 1.057 5.557 -1.037 186 2HG2 THR 21 2HG2 THR 21 -0.318 6.193 -1.938 187 3HG2 THR 21 3HG2 THR 21 -0.301 6.280 -0.177 188 H ARG 22 HN ARG 22 1.414 10.349 1.409 189 HA ARG 22 HA ARG 22 -0.865 9.530 3.041 190 1HB ARG 22 HB2 ARG 22 -0.403 11.627 4.297 191 2HB ARG 22 HB1 ARG 22 0.964 10.523 4.257 192 1HG ARG 22 HG2 ARG 22 2.125 11.850 2.699 193 2HG ARG 22 HG1 ARG 22 0.692 12.812 2.335 194 1HD ARG 22 HD2 ARG 22 0.733 13.574 4.735 195 2HD ARG 22 HD1 ARG 22 2.309 12.796 4.874 196 HE ARG 22 HE ARG 22 2.106 14.668 2.695 197 1HH1 ARG 22 1HH1 ARG 22 2.849 14.270 6.083 198 2HH1 ARG 22 2HH1 ARG 22 3.834 15.692 6.160 199 1HH2 ARG 22 1HH2 ARG 22 3.400 16.539 2.797 200 2HH2 ARG 22 2HH2 ARG 22 4.145 16.980 4.297 201 H ARG 23 HN ARG 23 -2.470 11.380 3.498 202 HA ARG 23 HA ARG 23 -3.819 11.958 1.099 203 1HB ARG 23 HB2 ARG 23 -4.153 12.916 3.925 204 2HB ARG 23 HB1 ARG 23 -5.161 13.546 2.629 205 1HG ARG 23 HG2 ARG 23 -5.125 10.698 2.474 206 2HG ARG 23 HG1 ARG 23 -5.512 11.184 4.124 207 1HD ARG 23 HD2 ARG 23 -7.532 11.956 3.540 208 2HD ARG 23 HD1 ARG 23 -6.907 12.754 2.097 209 HE ARG 23 HE ARG 23 -7.051 9.906 1.826 210 1HH1 ARG 23 1HH1 ARG 23 -8.876 12.872 1.597 211 2HH1 ARG 23 2HH1 ARG 23 -10.032 12.221 0.485 212 1HH2 ARG 23 1HH2 ARG 23 -8.571 9.048 0.363 213 2HH2 ARG 23 2HH2 ARG 23 -9.860 10.050 -0.216 214 H ALA 24 HN ALA 24 -1.170 13.462 2.502 215 HA ALA 24 HA ALA 24 0.105 15.200 1.764 216 1HB ALA 24 HB1 ALA 24 -0.179 16.001 -0.317 217 2HB ALA 24 HB2 ALA 24 -1.881 16.382 -0.055 218 3HB ALA 24 HB3 ALA 24 -1.395 14.730 -0.433 219 H ALA 25 HN ALA 25 -2.715 15.356 3.414 220 HA ALA 25 HA ALA 25 -3.791 16.920 4.676 221 1HB ALA 25 HB1 ALA 25 -2.407 17.920 6.150 222 2HB ALA 25 HB2 ALA 25 -1.404 18.634 4.888 223 3HB ALA 25 HB3 ALA 25 -1.184 16.944 5.338 224 H ASP 26 HN ASP 26 -3.776 17.365 1.774 225 HA ASP 26 HA ASP 26 -3.661 20.251 1.475 226 1HB ASP 26 HB2 ASP 26 -4.301 19.778 -0.883 227 2HB ASP 26 HB1 ASP 26 -2.850 18.917 -0.376 228 H ALA 27 HN ALA 27 -5.354 20.577 3.122 229 HA ALA 27 HA ALA 27 -7.476 21.112 3.746 230 1HB ALA 27 HB1 ALA 27 -9.029 21.427 1.587 231 2HB ALA 27 HB2 ALA 27 -7.445 21.474 0.813 232 3HB ALA 27 HB3 ALA 27 -7.835 22.620 2.097 233 H HIS 28 HN HIS 28 -6.766 18.297 3.496 234 HA HIS 28 HA HIS 28 -9.484 17.219 3.395 235 1HB HIS 28 HB2 HIS 28 -7.189 16.376 1.694 236 2HB HIS 28 HB1 HIS 28 -8.238 15.112 2.331 237 HD1 HIS 28 HD1 HIS 28 -10.878 15.471 1.733 238 HD2 HIS 28 HD2 HIS 28 -8.116 17.556 -0.567 239 HE1 HIS 28 HE1 HIS 28 -12.116 16.159 -0.345 240 HE2 HIS 28 HE2 HIS 28 -10.401 17.343 -1.760 241 H MET 29 HN MET 29 -9.296 14.755 4.123 242 HA MET 29 HA MET 29 -8.503 14.785 6.807 243 1HB MET 29 HB2 MET 29 -9.301 12.615 4.899 244 2HB MET 29 HB1 MET 29 -8.708 12.197 6.500 245 1HG MET 29 HG2 MET 29 -10.535 14.056 7.151 246 2HG MET 29 HG1 MET 29 -11.258 13.412 5.678 247 1HE MET 29 HE1 MET 29 -12.536 13.608 8.155 248 2HE MET 29 HE2 MET 29 -12.319 12.400 9.422 249 3HE MET 29 HE3 MET 29 -13.453 12.103 8.104 250 H ALA 30 HN ALA 30 -6.362 15.391 7.029 251 HA ALA 30 HA ALA 30 -4.226 14.121 5.638 252 1HB ALA 30 HB1 ALA 30 -2.766 15.398 7.042 253 2HB ALA 30 HB2 ALA 30 -4.065 15.706 8.195 254 3HB ALA 30 HB3 ALA 30 -4.128 16.419 6.584 255 H ASN 31 HN ASN 31 -6.170 13.039 8.156 256 HA ASN 31 HA ASN 31 -4.082 11.445 9.417 257 1HB ASN 31 HB2 ASN 31 -5.928 12.632 10.713 258 2HB ASN 31 HB1 ASN 31 -7.024 11.410 10.077 259 1HD2 ASN 31 1HD2 ASN 31 -4.518 12.111 12.319 260 2HD2 ASN 31 2HD2 ASN 31 -4.520 10.587 13.133 261 H LYS 32 HN LYS 32 -5.090 10.993 6.601 262 HA LYS 32 HA LYS 32 -5.970 8.214 6.958 263 1HB LYS 32 HB2 LYS 32 -6.920 10.308 5.197 264 2HB LYS 32 HB1 LYS 32 -6.438 8.879 4.294 265 1HG LYS 32 HG2 LYS 32 -8.377 7.943 4.792 266 2HG LYS 32 HG1 LYS 32 -7.928 7.967 6.498 267 1HD LYS 32 HD2 LYS 32 -9.258 9.733 6.952 268 2HD LYS 32 HD1 LYS 32 -8.897 10.528 5.418 269 1HE LYS 32 HE2 LYS 32 -11.198 9.960 5.365 270 2HE LYS 32 HE1 LYS 32 -10.370 8.816 4.310 271 1HZ LYS 32 HZ1 LYS 32 -10.339 7.280 6.286 272 2HZ LYS 32 HZ2 LYS 32 -11.860 7.563 5.601 273 3HZ LYS 32 HZ3 LYS 32 -11.423 8.342 7.037 274 H LEU 33 HN LEU 33 -3.256 9.284 6.967 275 HA LEU 33 HA LEU 33 -1.735 8.966 4.735 276 1HB LEU 33 HB2 LEU 33 -1.095 9.406 7.206 277 2HB LEU 33 HB1 LEU 33 -0.941 7.671 7.320 278 HG LEU 33 HG LEU 33 0.807 9.646 5.967 279 1HD1 LEU 33 1HD1 LEU 33 1.034 7.343 7.802 280 2HD1 LEU 33 2HD1 LEU 33 1.862 8.899 7.819 281 3HD1 LEU 33 3HD1 LEU 33 2.387 7.634 6.709 282 1HD2 LEU 33 1HD2 LEU 33 0.005 8.166 4.123 283 2HD2 LEU 33 2HD2 LEU 33 0.654 6.789 5.012 284 3HD2 LEU 33 3HD2 LEU 33 1.736 8.056 4.434 285 H GLU 34 HN GLU 34 -1.714 7.392 3.218 286 HA GLU 34 HA GLU 34 -1.925 4.608 4.140 287 1HB GLU 34 HB2 GLU 34 -3.972 5.853 2.872 288 2HB GLU 34 HB1 GLU 34 -3.103 5.185 1.499 289 1HG GLU 34 HG2 GLU 34 -3.280 3.160 3.466 290 2HG GLU 34 HG1 GLU 34 -4.877 3.886 3.294 291 H PHE 35 HN PHE 35 -1.682 3.257 1.837 292 HA PHE 35 HA PHE 35 0.933 4.107 0.777 293 1HB PHE 35 HB2 PHE 35 0.285 1.221 0.714 294 2HB PHE 35 HB1 PHE 35 1.808 2.024 1.064 295 HD1 PHE 35 HD1 PHE 35 2.628 1.945 3.201 296 HD2 PHE 35 HD2 PHE 35 -1.557 1.480 2.589 297 HE1 PHE 35 HE1 PHE 35 2.333 1.484 5.600 298 HE2 PHE 35 HE2 PHE 35 -1.860 1.023 4.986 299 HZ PHE 35 HZ PHE 35 0.085 1.023 6.495 300 HA PRO 36 HA PRO 36 -0.558 3.671 -3.370 301 1HB PRO 36 HB2 PRO 36 1.419 2.294 -4.630 302 2HB PRO 36 HB1 PRO 36 1.586 3.984 -4.148 303 1HG PRO 36 HG2 PRO 36 2.581 1.517 -2.778 304 2HG PRO 36 HG1 PRO 36 3.408 3.065 -3.036 305 1HD PRO 36 HD2 PRO 36 2.267 2.412 -0.678 306 2HD PRO 36 HD1 PRO 36 2.325 4.082 -1.272 307 H GLY 37 HN GLY 37 -1.189 2.060 -5.086 308 1HA GLY 37 HA2 GLY 37 -1.585 -0.229 -5.701 309 2HA GLY 37 HA1 GLY 37 -1.418 -0.658 -4.026 310 H GLY 38 HN GLY 38 -3.413 1.503 -5.904 311 1HA GLY 38 HA2 GLY 38 -5.799 0.374 -4.590 312 2HA GLY 38 HA1 GLY 38 -5.634 2.093 -4.928 313 H LYS 39 HN LYS 39 -7.272 -0.487 -5.925 314 HA LYS 39 HA LYS 39 -8.734 -0.461 -7.741 315 1HB LYS 39 HB2 LYS 39 -7.915 1.744 -8.519 316 2HB LYS 39 HB1 LYS 39 -6.567 0.934 -9.310 317 1HG LYS 39 HG2 LYS 39 -7.791 0.475 -11.082 318 2HG LYS 39 HG1 LYS 39 -9.040 -0.281 -10.095 319 1HD LYS 39 HD2 LYS 39 -9.825 1.660 -11.478 320 2HD LYS 39 HD1 LYS 39 -10.145 1.804 -9.749 321 1HE LYS 39 HE2 LYS 39 -7.570 2.921 -10.546 322 2HE LYS 39 HE1 LYS 39 -8.941 3.703 -11.331 323 1HZ LYS 39 HZ1 LYS 39 -9.233 3.240 -8.483 324 2HZ LYS 39 HZ2 LYS 39 -9.638 4.598 -9.406 325 3HZ LYS 39 HZ3 LYS 39 -8.038 4.360 -8.910 326 H ILE 40 HN ILE 40 -6.021 -2.030 -7.059 327 HA ILE 40 HA ILE 40 -5.165 -3.359 -9.315 328 HB ILE 40 HB ILE 40 -4.282 -5.038 -8.000 329 1HG1 ILE 40 2HG1 ILE 40 -5.955 -4.641 -5.581 330 2HG1 ILE 40 1HG1 ILE 40 -6.761 -5.387 -6.954 331 1HG2 ILE 40 1HG2 ILE 40 -4.534 -3.126 -5.768 332 2HG2 ILE 40 2HG2 ILE 40 -3.886 -2.512 -7.285 333 3HG2 ILE 40 3HG2 ILE 40 -3.098 -3.864 -6.472 334 1HD1 ILE 40 1HD1 ILE 40 -4.219 -6.624 -6.562 335 2HD1 ILE 40 2HD1 ILE 40 -5.834 -7.328 -6.500 336 3HD1 ILE 40 3HD1 ILE 40 -5.129 -6.617 -5.051 337 H GLU 41 HN GLU 41 -8.078 -3.642 -7.564 338 HA GLU 41 HA GLU 41 -9.140 -6.048 -8.182 339 1HB GLU 41 HB2 GLU 41 -11.372 -4.691 -8.386 340 2HB GLU 41 HB1 GLU 41 -10.513 -4.765 -6.863 341 1HG GLU 41 HG2 GLU 41 -10.359 -2.566 -6.798 342 2HG GLU 41 HG1 GLU 41 -9.525 -2.533 -8.341 343 H MET 42 HN MET 42 -10.316 -3.319 -10.100 344 HA MET 42 HA MET 42 -11.136 -3.301 -12.246 345 1HB MET 42 HB2 MET 42 -8.287 -4.239 -12.536 346 2HB MET 42 HB1 MET 42 -9.285 -3.809 -13.919 347 1HG MET 42 HG2 MET 42 -8.798 -1.930 -11.632 348 2HG MET 42 HG1 MET 42 -7.729 -2.028 -13.030 349 1HE MET 42 HE1 MET 42 -7.765 0.131 -13.580 350 2HE MET 42 HE2 MET 42 -9.091 1.129 -14.177 351 3HE MET 42 HE3 MET 42 -8.377 -0.103 -15.218 352 H GLY 43 HN GLY 43 -9.023 -6.056 -12.878 353 1HA GLY 43 HA2 GLY 43 -11.092 -8.018 -12.785 354 2HA GLY 43 HA1 GLY 43 -10.797 -7.471 -14.421 355 H GLU 44 HN GLU 44 -8.274 -7.624 -12.058 356 HA GLU 44 HA GLU 44 -6.914 -9.616 -13.712 357 1HB GLU 44 HB2 GLU 44 -6.063 -7.498 -11.834 358 2HB GLU 44 HB1 GLU 44 -5.078 -8.955 -11.840 359 1HG GLU 44 HG2 GLU 44 -4.039 -7.591 -13.393 360 2HG GLU 44 HG1 GLU 44 -5.020 -8.667 -14.386 361 H THR 45 HN THR 45 -5.240 -10.891 -12.047 362 HA THR 45 HA THR 45 -7.074 -12.521 -10.452 363 HB THR 45 HB THR 45 -4.389 -13.564 -10.573 364 HG1 THR 45 HG1 THR 45 -3.905 -13.394 -12.612 365 1HG2 THR 45 1HG2 THR 45 -5.725 -15.335 -10.477 366 2HG2 THR 45 2HG2 THR 45 -5.885 -15.142 -12.224 367 3HG2 THR 45 3HG2 THR 45 -7.099 -14.454 -11.145 368 HA PRO 46 HA PRO 46 -5.746 -11.353 -6.421 369 1HB PRO 46 HB2 PRO 46 -4.679 -13.814 -5.533 370 2HB PRO 46 HB1 PRO 46 -6.327 -13.230 -5.303 371 1HG PRO 46 HG2 PRO 46 -5.251 -15.090 -7.360 372 2HG PRO 46 HG1 PRO 46 -6.834 -15.086 -6.561 373 1HD PRO 46 HD2 PRO 46 -6.579 -14.247 -9.072 374 2HD PRO 46 HD1 PRO 46 -7.663 -13.403 -7.948 375 H GLU 47 HN GLU 47 -3.525 -13.044 -8.529 376 HA GLU 47 HA GLU 47 -1.236 -12.012 -7.022 377 1HB GLU 47 HB2 GLU 47 -1.652 -14.267 -8.905 378 2HB GLU 47 HB1 GLU 47 -0.077 -13.487 -8.934 379 1HG GLU 47 HG2 GLU 47 -1.034 -14.092 -6.245 380 2HG GLU 47 HG1 GLU 47 -0.821 -15.515 -7.265 381 H GLN 48 HN GLN 48 -2.586 -12.024 -10.325 382 HA GLN 48 HA GLN 48 -0.542 -10.237 -11.289 383 1HB GLN 48 HB2 GLN 48 -3.112 -11.196 -12.561 384 2HB GLN 48 HB1 GLN 48 -1.889 -10.233 -13.380 385 1HG GLN 48 HG2 GLN 48 -1.547 -13.012 -12.278 386 2HG GLN 48 HG1 GLN 48 -1.655 -12.553 -13.977 387 1HE2 GLN 48 1HE2 GLN 48 0.443 -13.620 -11.848 388 2HE2 GLN 48 2HE2 GLN 48 1.887 -12.817 -12.356 389 H ALA 49 HN ALA 49 -3.425 -9.818 -9.574 390 HA ALA 49 HA ALA 49 -4.432 -7.445 -10.667 391 1HB ALA 49 HB1 ALA 49 -5.543 -7.123 -8.525 392 2HB ALA 49 HB2 ALA 49 -4.508 -8.348 -7.792 393 3HB ALA 49 HB3 ALA 49 -5.662 -8.803 -9.045 394 H VAL 50 HN VAL 50 -2.221 -7.896 -7.915 395 HA VAL 50 HA VAL 50 -1.680 -5.078 -7.765 396 HB VAL 50 HB VAL 50 -1.506 -6.064 -5.672 397 1HG1 VAL 50 1HG1 VAL 50 0.375 -8.073 -5.652 398 2HG1 VAL 50 2HG1 VAL 50 -0.513 -8.364 -7.146 399 3HG1 VAL 50 3HG1 VAL 50 -1.374 -8.288 -5.611 400 1HG2 VAL 50 1HG2 VAL 50 0.782 -5.773 -4.978 401 2HG2 VAL 50 2HG2 VAL 50 0.406 -4.583 -6.227 402 3HG2 VAL 50 3HG2 VAL 50 1.352 -6.015 -6.632 403 H VAL 51 HN VAL 51 0.126 -7.934 -8.881 404 HA VAL 51 HA VAL 51 2.569 -6.771 -9.389 405 HB VAL 51 HB VAL 51 1.215 -8.822 -11.153 406 1HG1 VAL 51 1HG1 VAL 51 3.054 -8.543 -12.397 407 2HG1 VAL 51 2HG1 VAL 51 3.899 -9.389 -11.099 408 3HG1 VAL 51 3HG1 VAL 51 3.878 -7.626 -11.137 409 1HG2 VAL 51 1HG2 VAL 51 3.180 -9.661 -9.121 410 2HG2 VAL 51 2HG2 VAL 51 1.696 -10.446 -9.660 411 3HG2 VAL 51 3HG2 VAL 51 1.620 -9.116 -8.505 412 H ARG 52 HN ARG 52 -0.367 -6.631 -11.322 413 HA ARG 52 HA ARG 52 0.925 -5.219 -13.457 414 1HB ARG 52 HB2 ARG 52 -1.803 -6.205 -12.897 415 2HB ARG 52 HB1 ARG 52 -1.705 -4.778 -13.919 416 1HG ARG 52 HG2 ARG 52 -0.863 -5.918 -15.659 417 2HG ARG 52 HG1 ARG 52 0.133 -6.954 -14.636 418 1HD ARG 52 HD2 ARG 52 -2.163 -7.983 -13.938 419 2HD ARG 52 HD1 ARG 52 -2.723 -7.270 -15.451 420 HE ARG 52 HE ARG 52 -1.132 -9.606 -15.155 421 1HH1 ARG 52 1HH1 ARG 52 -1.654 -6.854 -17.237 422 2HH1 ARG 52 2HH1 ARG 52 -1.074 -7.659 -18.655 423 1HH2 ARG 52 1HH2 ARG 52 -0.370 -10.667 -17.020 424 2HH2 ARG 52 2HH2 ARG 52 -0.345 -9.825 -18.533 425 H GLU 53 HN GLU 53 -1.388 -4.367 -10.911 426 HA GLU 53 HA GLU 53 -1.511 -1.618 -11.532 427 1HB GLU 53 HB2 GLU 53 -3.061 -3.055 -10.033 428 2HB GLU 53 HB1 GLU 53 -1.906 -2.698 -8.757 429 1HG GLU 53 HG2 GLU 53 -3.308 -0.972 -8.401 430 2HG GLU 53 HG1 GLU 53 -2.312 -0.220 -9.647 431 H LEU 54 HN LEU 54 0.887 -3.507 -9.960 432 HA LEU 54 HA LEU 54 2.021 -1.632 -8.224 433 1HB LEU 54 HB2 LEU 54 2.597 -4.220 -9.041 434 2HB LEU 54 HB1 LEU 54 3.991 -3.301 -9.570 435 HG LEU 54 HG LEU 54 4.470 -2.588 -7.343 436 1HD1 LEU 54 1HD1 LEU 54 2.721 -3.926 -5.657 437 2HD1 LEU 54 2HD1 LEU 54 1.683 -3.221 -6.895 438 3HD1 LEU 54 3HD1 LEU 54 2.770 -2.190 -5.964 439 1HD2 LEU 54 1HD2 LEU 54 4.208 -5.081 -6.254 440 2HD2 LEU 54 2HD2 LEU 54 5.517 -4.557 -7.311 441 3HD2 LEU 54 3HD2 LEU 54 4.129 -5.410 -7.984 442 H GLN 55 HN GLN 55 2.648 -2.273 -11.655 443 HA GLN 55 HA GLN 55 4.702 -0.342 -11.941 444 1HB GLN 55 HB2 GLN 55 3.235 -2.136 -13.647 445 2HB GLN 55 HB1 GLN 55 3.289 -0.545 -14.395 446 1HG GLN 55 HG2 GLN 55 5.217 -1.368 -15.227 447 2HG GLN 55 HG1 GLN 55 5.847 -0.740 -13.705 448 1HE2 GLN 55 1HE2 GLN 55 7.467 -2.136 -13.329 449 2HE2 GLN 55 2HE2 GLN 55 7.268 -3.839 -13.123 450 H GLU 56 HN GLU 56 1.219 -0.243 -12.058 451 HA GLU 56 HA GLU 56 1.037 2.460 -13.012 452 1HB GLU 56 HB2 GLU 56 -0.709 0.515 -13.124 453 2HB GLU 56 HB1 GLU 56 -1.160 1.073 -11.525 454 1HG GLU 56 HG2 GLU 56 -0.951 3.188 -13.537 455 2HG GLU 56 HG1 GLU 56 -2.212 1.995 -13.845 456 H GLU 57 HN GLU 57 1.401 0.893 -9.937 457 HA GLU 57 HA GLU 57 0.776 3.417 -8.583 458 1HB GLU 57 HB2 GLU 57 0.957 0.627 -7.448 459 2HB GLU 57 HB1 GLU 57 0.551 2.074 -6.534 460 1HG GLU 57 HG2 GLU 57 -1.054 1.295 -8.930 461 2HG GLU 57 HG1 GLU 57 -1.341 0.530 -7.368 462 H VAL 58 HN VAL 58 3.379 2.062 -9.852 463 HA VAL 58 HA VAL 58 5.152 3.145 -7.780 464 HB VAL 58 HB VAL 58 5.741 0.608 -9.321 465 1HG1 VAL 58 1HG1 VAL 58 7.455 0.698 -7.201 466 2HG1 VAL 58 2HG1 VAL 58 7.334 2.400 -7.643 467 3HG1 VAL 58 3HG1 VAL 58 7.844 1.212 -8.843 468 1HG2 VAL 58 1HG2 VAL 58 4.666 -0.545 -7.763 469 2HG2 VAL 58 2HG2 VAL 58 4.163 0.958 -6.991 470 3HG2 VAL 58 3HG2 VAL 58 5.675 0.185 -6.514 471 H GLY 59 HN GLY 59 4.767 2.048 -11.110 472 1HA GLY 59 HA2 GLY 59 5.456 2.947 -13.081 473 2HA GLY 59 HA1 GLY 59 5.797 4.422 -12.218 474 H ILE 60 HN ILE 60 7.750 3.377 -10.498 475 HA ILE 60 HA ILE 60 10.008 3.457 -12.240 476 HB ILE 60 HB ILE 60 11.083 2.838 -9.820 477 1HG1 ILE 60 2HG1 ILE 60 8.933 4.740 -9.022 478 2HG1 ILE 60 1HG1 ILE 60 8.622 3.009 -8.961 479 1HG2 ILE 60 1HG2 ILE 60 11.848 5.021 -9.776 480 2HG2 ILE 60 2HG2 ILE 60 10.340 5.663 -10.427 481 3HG2 ILE 60 3HG2 ILE 60 11.446 4.775 -11.475 482 1HD1 ILE 60 1HD1 ILE 60 10.648 4.584 -7.430 483 2HD1 ILE 60 2HD1 ILE 60 10.749 2.831 -7.591 484 3HD1 ILE 60 3HD1 ILE 60 9.344 3.567 -6.818 485 H THR 61 HN THR 61 11.902 1.896 -11.365 486 HA THR 61 HA THR 61 10.877 -0.837 -11.693 487 HB THR 61 HB THR 61 13.462 -1.005 -12.377 488 HG1 THR 61 HG1 THR 61 13.937 1.151 -12.112 489 1HG2 THR 61 1HG2 THR 61 11.430 0.091 -14.299 490 2HG2 THR 61 2HG2 THR 61 11.517 -1.604 -13.811 491 3HG2 THR 61 3HG2 THR 61 12.861 -0.869 -14.687 492 HA PRO 62 HA PRO 62 13.074 -0.997 -7.696 493 1HB PRO 62 HB2 PRO 62 11.039 -1.203 -6.081 494 2HB PRO 62 HB1 PRO 62 11.188 0.273 -7.045 495 1HG PRO 62 HG2 PRO 62 9.358 -2.050 -7.429 496 2HG PRO 62 HG1 PRO 62 9.058 -0.325 -7.712 497 1HD PRO 62 HD2 PRO 62 9.927 -2.295 -9.614 498 2HD PRO 62 HD1 PRO 62 9.678 -0.559 -9.870 499 H GLN 63 HN GLN 63 13.802 -2.792 -6.548 500 HA GLN 63 HA GLN 63 12.849 -5.392 -7.377 501 1HB GLN 63 HB2 GLN 63 14.631 -4.865 -4.998 502 2HB GLN 63 HB1 GLN 63 14.554 -6.307 -6.000 503 1HG GLN 63 HG2 GLN 63 15.614 -5.182 -7.819 504 2HG GLN 63 HG1 GLN 63 15.533 -3.638 -6.972 505 1HE2 GLN 63 1HE2 GLN 63 17.777 -3.393 -7.152 506 2HE2 GLN 63 2HE2 GLN 63 18.870 -4.286 -6.156 507 H HIS 64 HN HIS 64 10.696 -4.968 -6.865 508 HA HIS 64 HA HIS 64 10.021 -5.050 -4.002 509 1HB HIS 64 HB2 HIS 64 9.259 -2.975 -4.812 510 2HB HIS 64 HB1 HIS 64 8.852 -3.648 -6.362 511 HD1 HIS 64 HD1 HIS 64 7.480 -5.418 -3.407 512 HD2 HIS 64 HD2 HIS 64 6.281 -2.492 -6.095 513 HE1 HIS 64 HE1 HIS 64 4.992 -5.230 -3.126 514 HE2 HIS 64 HE2 HIS 64 4.324 -3.326 -4.629 515 H PHE 65 HN PHE 65 8.901 -6.776 -3.309 516 HA PHE 65 HA PHE 65 6.911 -8.111 -4.776 517 1HB PHE 65 HB2 PHE 65 9.186 -8.692 -5.940 518 2HB PHE 65 HB1 PHE 65 9.352 -9.786 -4.581 519 HD1 PHE 65 HD1 PHE 65 8.995 -11.947 -5.339 520 HD2 PHE 65 HD2 PHE 65 6.418 -8.827 -6.656 521 HE1 PHE 65 HE1 PHE 65 7.604 -13.599 -6.522 522 HE2 PHE 65 HE2 PHE 65 5.023 -10.470 -7.840 523 HZ PHE 65 HZ PHE 65 5.615 -12.859 -7.775 524 H SER 66 HN SER 66 6.341 -10.261 -3.791 525 HA SER 66 HA SER 66 6.072 -11.716 -2.038 526 1HB SER 66 HB2 SER 66 8.575 -10.966 -1.498 527 2HB SER 66 HB1 SER 66 7.775 -10.156 -0.152 528 HG SER 66 HG SER 66 6.796 -12.248 0.301 529 H LEU 67 HN LEU 67 4.827 -11.759 -0.069 530 HA LEU 67 HA LEU 67 3.481 -9.192 0.430 531 1HB LEU 67 HB2 LEU 67 1.445 -10.290 0.722 532 2HB LEU 67 HB1 LEU 67 2.170 -11.085 -0.662 533 HG LEU 67 HG LEU 67 3.028 -12.771 1.196 534 1HD1 LEU 67 1HD1 LEU 67 1.164 -11.095 2.613 535 2HD1 LEU 67 2HD1 LEU 67 2.205 -12.382 3.221 536 3HD1 LEU 67 3HD1 LEU 67 0.607 -12.769 2.584 537 1HD2 LEU 67 1HD2 LEU 67 1.066 -14.156 0.727 538 2HD2 LEU 67 2HD2 LEU 67 1.651 -13.352 -0.728 539 3HD2 LEU 67 3HD2 LEU 67 0.218 -12.742 0.100 540 H PHE 68 HN PHE 68 3.706 -8.342 2.378 541 HA PHE 68 HA PHE 68 5.032 -9.798 4.464 542 1HB PHE 68 HB2 PHE 68 5.609 -7.739 5.121 543 2HB PHE 68 HB1 PHE 68 4.651 -7.082 3.803 544 HD1 PHE 68 HD1 PHE 68 2.222 -6.532 4.241 545 HD2 PHE 68 HD2 PHE 68 4.991 -7.410 7.351 546 HE1 PHE 68 HE1 PHE 68 0.732 -5.447 5.871 547 HE2 PHE 68 HE2 PHE 68 3.505 -6.329 8.985 548 HZ PHE 68 HZ PHE 68 1.374 -5.334 8.246 549 H GLU 69 HN GLU 69 1.778 -8.675 3.796 550 HA GLU 69 HA GLU 69 0.567 -10.668 5.391 551 1HB GLU 69 HB2 GLU 69 1.313 -8.281 6.773 552 2HB GLU 69 HB1 GLU 69 -0.441 -8.329 6.664 553 1HG GLU 69 HG2 GLU 69 0.107 -10.877 7.412 554 2HG GLU 69 HG1 GLU 69 1.404 -9.993 8.216 555 H LYS 70 HN LYS 70 -1.592 -10.889 4.874 556 HA LYS 70 HA LYS 70 -2.897 -8.714 3.420 557 1HB LYS 70 HB2 LYS 70 -3.608 -10.255 1.617 558 2HB LYS 70 HB1 LYS 70 -1.867 -10.017 1.658 559 1HG LYS 70 HG2 LYS 70 -1.782 -12.244 1.496 560 2HG LYS 70 HG1 LYS 70 -2.129 -12.215 3.227 561 1HD LYS 70 HD2 LYS 70 -4.439 -12.599 2.863 562 2HD LYS 70 HD1 LYS 70 -4.290 -12.282 1.134 563 1HE LYS 70 HE2 LYS 70 -2.522 -14.318 1.453 564 2HE LYS 70 HE1 LYS 70 -3.734 -14.726 2.667 565 1HZ LYS 70 HZ1 LYS 70 -3.982 -14.619 -0.248 566 2HZ LYS 70 HZ2 LYS 70 -5.341 -14.213 0.673 567 3HZ LYS 70 HZ3 LYS 70 -4.625 -15.734 0.851 568 H LEU 71 HN LEU 71 -5.016 -8.540 3.916 569 HA LEU 71 HA LEU 71 -6.307 -10.831 5.246 570 1HB LEU 71 HB2 LEU 71 -7.500 -9.281 6.697 571 2HB LEU 71 HB1 LEU 71 -5.766 -9.130 6.899 572 HG LEU 71 HG LEU 71 -5.949 -7.142 5.265 573 1HD1 LEU 71 1HD1 LEU 71 -8.059 -7.183 4.368 574 2HD1 LEU 71 2HD1 LEU 71 -8.289 -6.049 5.699 575 3HD1 LEU 71 3HD1 LEU 71 -8.806 -7.727 5.871 576 1HD2 LEU 71 1HD2 LEU 71 -7.191 -6.909 8.002 577 2HD2 LEU 71 2HD2 LEU 71 -6.404 -5.624 7.085 578 3HD2 LEU 71 3HD2 LEU 71 -5.458 -6.988 7.681 579 H GLU 72 HN GLU 72 -8.723 -10.707 5.195 580 HA GLU 72 HA GLU 72 -9.766 -9.249 2.884 581 1HB GLU 72 HB2 GLU 72 -9.394 -11.252 1.788 582 2HB GLU 72 HB1 GLU 72 -9.655 -12.214 3.235 583 1HG GLU 72 HG2 GLU 72 -12.001 -11.998 3.068 584 2HG GLU 72 HG1 GLU 72 -11.867 -10.753 1.828 585 H TYR 73 HN TYR 73 -11.454 -8.123 3.568 586 HA TYR 73 HA TYR 73 -13.415 -9.398 5.324 587 1HB TYR 73 HB2 TYR 73 -13.545 -7.481 6.802 588 2HB TYR 73 HB1 TYR 73 -11.891 -8.081 6.776 589 HD1 TYR 73 HD1 TYR 73 -10.452 -6.906 4.771 590 HD2 TYR 73 HD2 TYR 73 -13.764 -5.196 6.821 591 HE1 TYR 73 HE1 TYR 73 -9.643 -4.658 4.190 592 HE2 TYR 73 HE2 TYR 73 -12.965 -2.943 6.245 593 HH TYR 73 HH TYR 73 -9.868 -2.340 5.054 594 H GLU 74 HN GLU 74 -15.524 -8.448 5.218 595 HA GLU 74 HA GLU 74 -15.899 -6.744 2.842 596 1HB GLU 74 HB2 GLU 74 -18.177 -7.844 2.682 597 2HB GLU 74 HB1 GLU 74 -16.798 -8.855 2.278 598 1HG GLU 74 HG2 GLU 74 -16.939 -9.611 4.746 599 2HG GLU 74 HG1 GLU 74 -18.569 -8.945 4.680 600 H PHE 75 HN PHE 75 -16.776 -4.846 3.179 601 HA PHE 75 HA PHE 75 -17.759 -4.092 5.763 602 1HB PHE 75 HB2 PHE 75 -16.996 -2.751 3.247 603 2HB PHE 75 HB1 PHE 75 -18.261 -1.956 4.162 604 HD1 PHE 75 HD1 PHE 75 -15.194 -1.311 3.503 605 HD2 PHE 75 HD2 PHE 75 -17.350 -2.600 6.940 606 HE1 PHE 75 HE1 PHE 75 -13.481 -0.303 4.954 607 HE2 PHE 75 HE2 PHE 75 -15.642 -1.594 8.394 608 HZ PHE 75 HZ PHE 75 -13.705 -0.444 7.402 609 HA PRO 76 HA PRO 76 -22.126 -4.459 5.382 610 1HB PRO 76 HB2 PRO 76 -22.967 -1.804 5.643 611 2HB PRO 76 HB1 PRO 76 -22.688 -2.940 6.966 612 1HG PRO 76 HG2 PRO 76 -20.912 -0.803 5.892 613 2HG PRO 76 HG1 PRO 76 -21.126 -1.357 7.563 614 1HD PRO 76 HD2 PRO 76 -18.976 -2.042 6.115 615 2HD PRO 76 HD1 PRO 76 -19.708 -3.172 7.271 616 H ASP 77 HN ASP 77 -21.825 -5.010 3.135 617 HA ASP 77 HA ASP 77 -22.902 -4.943 1.085 618 1HB ASP 77 HB2 ASP 77 -24.238 -2.920 2.175 619 2HB ASP 77 HB1 ASP 77 -23.220 -1.978 1.090 620 H ARG 78 HN ARG 78 -20.060 -3.962 2.034 621 HA ARG 78 HA ARG 78 -19.171 -3.356 -0.692 622 1HB ARG 78 HB2 ARG 78 -19.319 -1.272 0.802 623 2HB ARG 78 HB1 ARG 78 -17.959 -1.957 1.682 624 1HG ARG 78 HG2 ARG 78 -16.577 -1.881 -0.276 625 2HG ARG 78 HG1 ARG 78 -17.944 -1.383 -1.272 626 1HD ARG 78 HD2 ARG 78 -17.262 0.709 -0.892 627 2HD ARG 78 HD1 ARG 78 -17.924 0.502 0.729 628 HE ARG 78 HE ARG 78 -15.426 -0.479 0.979 629 1HH1 ARG 78 1HH1 ARG 78 -16.667 2.514 -0.320 630 2HH1 ARG 78 2HH1 ARG 78 -15.254 3.425 0.095 631 1HH2 ARG 78 1HH2 ARG 78 -13.565 0.719 1.525 632 2HH2 ARG 78 2HH2 ARG 78 -13.492 2.407 1.141 633 H HIS 79 HN HIS 79 -18.289 -5.372 -1.009 634 HA HIS 79 HA HIS 79 -16.580 -6.579 0.975 635 1HB HIS 79 HB2 HIS 79 -18.120 -7.696 -0.878 636 2HB HIS 79 HB1 HIS 79 -16.656 -7.556 -1.846 637 HD1 HIS 79 HD1 HIS 79 -14.631 -8.217 0.464 638 HD2 HIS 79 HD2 HIS 79 -18.034 -10.412 -0.466 639 HE1 HIS 79 HE1 HIS 79 -14.204 -10.529 1.355 640 HE2 HIS 79 HE2 HIS 79 -16.311 -11.816 0.856 641 H ILE 80 HN ILE 80 -14.645 -5.642 1.306 642 HA ILE 80 HA ILE 80 -13.067 -4.970 -1.081 643 HB ILE 80 HB ILE 80 -12.121 -3.101 -0.064 644 1HG1 ILE 80 2HG1 ILE 80 -13.217 -4.118 2.566 645 2HG1 ILE 80 1HG1 ILE 80 -11.526 -4.061 2.079 646 1HG2 ILE 80 1HG2 ILE 80 -13.917 -1.771 -0.078 647 2HG2 ILE 80 2HG2 ILE 80 -14.666 -2.610 1.280 648 3HG2 ILE 80 3HG2 ILE 80 -14.834 -3.251 -0.355 649 1HD1 ILE 80 1HD1 ILE 80 -12.847 -2.173 3.564 650 2HD1 ILE 80 2HD1 ILE 80 -12.818 -1.463 1.949 651 3HD1 ILE 80 3HD1 ILE 80 -11.311 -1.948 2.727 652 H THR 81 HN THR 81 -11.214 -5.974 -1.354 653 HA THR 81 HA THR 81 -10.182 -7.648 0.803 654 HB THR 81 HB THR 81 -8.662 -8.183 -1.416 655 HG1 THR 81 HG1 THR 81 -10.164 -8.300 -3.135 656 1HG2 THR 81 1HG2 THR 81 -10.602 -9.535 0.073 657 2HG2 THR 81 2HG2 THR 81 -9.453 -10.215 -1.081 658 3HG2 THR 81 3HG2 THR 81 -11.058 -9.719 -1.620 659 H LEU 82 HN LEU 82 -8.544 -6.871 1.995 660 HA LEU 82 HA LEU 82 -6.853 -4.771 0.826 661 1HB LEU 82 HB2 LEU 82 -8.112 -4.333 2.961 662 2HB LEU 82 HB1 LEU 82 -7.098 -5.539 3.729 663 HG LEU 82 HG LEU 82 -5.182 -3.959 2.710 664 1HD1 LEU 82 1HD1 LEU 82 -6.632 -2.349 1.704 665 2HD1 LEU 82 2HD1 LEU 82 -5.885 -1.603 3.116 666 3HD1 LEU 82 3HD1 LEU 82 -7.553 -2.168 3.197 667 1HD2 LEU 82 1HD2 LEU 82 -6.514 -3.123 5.255 668 2HD2 LEU 82 2HD2 LEU 82 -4.795 -3.259 4.884 669 3HD2 LEU 82 3HD2 LEU 82 -5.764 -4.713 5.118 670 H TRP 83 HN TRP 83 -5.002 -5.465 0.017 671 HA TRP 83 HA TRP 83 -3.620 -7.693 1.363 672 1HB TRP 83 HB2 TRP 83 -3.496 -6.856 -1.543 673 2HB TRP 83 HB1 TRP 83 -2.522 -8.132 -0.821 674 HD1 TRP 83 HD1 TRP 83 -6.262 -7.673 -0.120 675 HE1 TRP 83 HE1 TRP 83 -7.516 -9.740 -0.967 676 HE3 TRP 83 HE3 TRP 83 -2.380 -10.073 -2.402 677 HZ2 TRP 83 HZ2 TRP 83 -6.937 -12.097 -2.418 678 HZ3 TRP 83 HZ3 TRP 83 -2.811 -12.234 -3.498 679 HH2 TRP 83 HH2 TRP 83 -5.043 -13.224 -3.505 680 H PHE 84 HN PHE 84 -1.808 -7.197 2.345 681 HA PHE 84 HA PHE 84 -0.417 -4.727 1.569 682 1HB PHE 84 HB2 PHE 84 -0.732 -6.130 4.182 683 2HB PHE 84 HB1 PHE 84 0.765 -5.252 3.898 684 HD1 PHE 84 HD1 PHE 84 0.443 -3.548 5.544 685 HD2 PHE 84 HD2 PHE 84 -2.517 -4.252 2.558 686 HE1 PHE 84 HE1 PHE 84 -0.685 -1.454 6.167 687 HE2 PHE 84 HE2 PHE 84 -3.644 -2.158 3.181 688 HZ PHE 84 HZ PHE 84 -2.730 -0.757 4.986 689 H TRP 85 HN TRP 85 1.164 -5.108 0.190 690 HA TRP 85 HA TRP 85 2.593 -7.640 0.257 691 1HB TRP 85 HB2 TRP 85 2.490 -5.406 -1.763 692 2HB TRP 85 HB1 TRP 85 3.574 -6.786 -1.915 693 HD1 TRP 85 HD1 TRP 85 -0.214 -6.019 -1.769 694 HE1 TRP 85 HE1 TRP 85 -1.453 -7.872 -3.056 695 HE3 TRP 85 HE3 TRP 85 3.752 -9.068 -2.824 696 HZ2 TRP 85 HZ2 TRP 85 -0.832 -10.303 -4.348 697 HZ3 TRP 85 HZ3 TRP 85 3.344 -11.139 -4.090 698 HH2 TRP 85 HH2 TRP 85 1.098 -11.742 -4.835 699 H LEU 86 HN LEU 86 4.825 -7.837 0.324 700 HA LEU 86 HA LEU 86 6.172 -5.697 1.777 701 1HB LEU 86 HB2 LEU 86 6.276 -7.892 2.769 702 2HB LEU 86 HB1 LEU 86 6.907 -8.578 1.284 703 HG LEU 86 HG LEU 86 8.966 -7.229 1.562 704 1HD1 LEU 86 1HD1 LEU 86 9.134 -6.459 4.117 705 2HD1 LEU 86 2HD1 LEU 86 7.415 -6.175 3.845 706 3HD1 LEU 86 3HD1 LEU 86 8.613 -5.384 2.820 707 1HD2 LEU 86 1HD2 LEU 86 8.158 -9.091 3.784 708 2HD2 LEU 86 2HD2 LEU 86 9.801 -8.480 3.586 709 3HD2 LEU 86 3HD2 LEU 86 9.069 -9.470 2.323 710 H VAL 87 HN VAL 87 7.923 -4.628 1.039 711 HA VAL 87 HA VAL 87 8.916 -5.259 -1.669 712 HB VAL 87 HB VAL 87 8.711 -2.518 -0.477 713 1HG1 VAL 87 1HG1 VAL 87 8.903 -2.078 -3.089 714 2HG1 VAL 87 2HG1 VAL 87 9.750 -3.621 -3.015 715 3HG1 VAL 87 3HG1 VAL 87 10.322 -2.261 -2.059 716 1HG2 VAL 87 1HG2 VAL 87 6.530 -2.577 -0.988 717 2HG2 VAL 87 2HG2 VAL 87 6.709 -4.183 -1.708 718 3HG2 VAL 87 3HG2 VAL 87 6.993 -2.741 -2.685 719 H GLU 88 HN GLU 88 11.149 -4.997 -2.027 720 HA GLU 88 HA GLU 88 12.592 -4.609 0.501 721 1HB GLU 88 HB2 GLU 88 13.891 -6.044 -1.766 722 2HB GLU 88 HB1 GLU 88 14.109 -6.256 -0.035 723 1HG GLU 88 HG2 GLU 88 11.619 -7.060 -1.513 724 2HG GLU 88 HG1 GLU 88 12.975 -8.145 -1.207 725 H ARG 89 HN ARG 89 12.447 -3.417 -2.790 726 HA ARG 89 HA ARG 89 14.246 -1.302 -2.072 727 1HB ARG 89 HB2 ARG 89 16.048 -2.658 -2.551 728 2HB ARG 89 HB1 ARG 89 15.176 -3.573 -3.766 729 1HG ARG 89 HG2 ARG 89 16.763 -2.396 -4.978 730 2HG ARG 89 HG1 ARG 89 15.298 -1.438 -5.187 731 1HD ARG 89 HD2 ARG 89 16.422 0.327 -4.430 732 2HD ARG 89 HD1 ARG 89 16.525 -0.467 -2.861 733 HE ARG 89 HE ARG 89 18.586 -1.552 -4.228 734 1HH1 ARG 89 1HH1 ARG 89 17.592 1.742 -3.644 735 2HH1 ARG 89 2HH1 ARG 89 19.205 2.370 -3.700 736 1HH2 ARG 89 1HH2 ARG 89 20.707 -0.727 -4.302 737 2HH2 ARG 89 2HH2 ARG 89 20.974 0.969 -4.073 738 H TRP 90 HN TRP 90 14.507 0.308 -3.799 739 HA TRP 90 HA TRP 90 12.890 0.060 -6.140 740 1HB TRP 90 HB2 TRP 90 11.112 1.414 -5.651 741 2HB TRP 90 HB1 TRP 90 11.415 0.757 -4.054 742 HD1 TRP 90 HD1 TRP 90 12.399 3.926 -6.077 743 HE1 TRP 90 HE1 TRP 90 12.415 5.913 -4.441 744 HE3 TRP 90 HE3 TRP 90 11.348 1.415 -1.751 745 HZ2 TRP 90 HZ2 TRP 90 12.024 6.355 -1.686 746 HZ3 TRP 90 HZ3 TRP 90 11.180 2.703 0.343 747 HH2 TRP 90 HH2 TRP 90 11.512 5.120 0.372 748 H GLU 91 HN GLU 91 13.938 1.011 -7.737 749 HA GLU 91 HA GLU 91 16.136 2.771 -7.177 750 1HB GLU 91 HB2 GLU 91 14.926 1.685 -9.711 751 2HB GLU 91 HB1 GLU 91 16.228 2.867 -9.740 752 1HG GLU 91 HG2 GLU 91 17.362 1.123 -8.111 753 2HG GLU 91 HG1 GLU 91 16.268 0.014 -8.937 754 H GLY 92 HN GLY 92 16.422 4.897 -8.063 755 1HA GLY 92 HA2 GLY 92 15.765 7.081 -8.315 756 2HA GLY 92 HA1 GLY 92 14.498 6.431 -9.344 757 H GLU 93 HN GLU 93 12.691 7.457 -8.771 758 HA GLU 93 HA GLU 93 11.989 7.485 -5.910 759 1HB GLU 93 HB2 GLU 93 11.283 9.545 -8.008 760 2HB GLU 93 HB1 GLU 93 10.713 9.558 -6.345 761 1HG GLU 93 HG2 GLU 93 13.125 9.663 -5.638 762 2HG GLU 93 HG1 GLU 93 13.523 9.938 -7.334 763 HA PRO 94 HA PRO 94 8.362 5.262 -7.163 764 1HB PRO 94 HB2 PRO 94 6.942 6.158 -4.806 765 2HB PRO 94 HB1 PRO 94 7.658 4.576 -5.120 766 1HG PRO 94 HG2 PRO 94 8.602 6.314 -3.239 767 2HG PRO 94 HG1 PRO 94 9.613 5.111 -4.060 768 1HD PRO 94 HD2 PRO 94 9.317 8.040 -4.620 769 2HD PRO 94 HD1 PRO 94 10.788 7.039 -4.596 770 H TRP 95 HN TRP 95 6.796 5.819 -8.567 771 HA TRP 95 HA TRP 95 5.310 8.273 -8.021 772 1HB TRP 95 HB2 TRP 95 5.366 8.833 -10.469 773 2HB TRP 95 HB1 TRP 95 6.889 9.031 -9.621 774 HD1 TRP 95 HD1 TRP 95 8.900 7.463 -10.340 775 HE1 TRP 95 HE1 TRP 95 9.331 6.036 -12.444 776 HE3 TRP 95 HE3 TRP 95 4.122 7.203 -12.123 777 HZ2 TRP 95 HZ2 TRP 95 7.837 4.970 -14.583 778 HZ3 TRP 95 HZ3 TRP 95 3.707 5.971 -14.210 779 HH2 TRP 95 HH2 TRP 95 5.526 4.867 -15.407 780 H GLY 96 HN GLY 96 5.460 5.611 -10.381 781 1HA GLY 96 HA2 GLY 96 3.750 4.434 -11.402 782 2HA GLY 96 HA1 GLY 96 3.154 4.300 -9.759 783 H LYS 97 HN LYS 97 1.411 5.496 -9.103 784 HA LYS 97 HA LYS 97 0.347 7.746 -10.341 785 1HB LYS 97 HB2 LYS 97 0.018 5.630 -12.033 786 2HB LYS 97 HB1 LYS 97 -1.490 5.583 -11.134 787 1HG LYS 97 HG2 LYS 97 -0.409 7.971 -12.614 788 2HG LYS 97 HG1 LYS 97 -1.689 6.896 -13.180 789 1HD LYS 97 HD2 LYS 97 -2.956 7.499 -11.081 790 2HD LYS 97 HD1 LYS 97 -1.743 8.753 -10.809 791 1HE LYS 97 HE2 LYS 97 -2.297 9.557 -13.167 792 2HE LYS 97 HE1 LYS 97 -3.712 8.511 -13.066 793 1HZ LYS 97 HZ1 LYS 97 -3.929 9.842 -10.779 794 2HZ LYS 97 HZ2 LYS 97 -4.637 10.365 -12.223 795 3HZ LYS 97 HZ3 LYS 97 -3.165 11.025 -11.717 796 H GLU 98 HN GLU 98 0.684 6.562 -7.728 797 HA GLU 98 HA GLU 98 -1.724 5.622 -6.635 798 1HB GLU 98 HB2 GLU 98 -0.620 6.874 -4.501 799 2HB GLU 98 HB1 GLU 98 -0.136 5.284 -5.065 800 1HG GLU 98 HG2 GLU 98 1.747 6.815 -4.563 801 2HG GLU 98 HG1 GLU 98 1.756 6.176 -6.201 802 H GLY 99 HN GLY 99 -0.650 8.842 -7.430 803 1HA GLY 99 HA2 GLY 99 -2.118 10.641 -7.801 804 2HA GLY 99 HA1 GLY 99 -3.331 9.825 -6.833 805 H GLN 100 HN GLN 100 -0.593 9.630 -5.027 806 HA GLN 100 HA GLN 100 -0.855 12.311 -3.877 807 1HB GLN 100 HB2 GLN 100 -1.627 9.761 -2.586 808 2HB GLN 100 HB1 GLN 100 -0.713 10.887 -1.593 809 1HG GLN 100 HG2 GLN 100 -2.395 12.406 -1.518 810 2HG GLN 100 HG1 GLN 100 -3.012 11.970 -3.110 811 1HE2 GLN 100 1HE2 GLN 100 -2.414 10.089 -0.163 812 2HE2 GLN 100 2HE2 GLN 100 -4.021 9.474 -0.023 813 HA PRO 101 HA PRO 101 3.613 11.599 -4.510 814 1HB PRO 101 HB2 PRO 101 3.297 14.284 -3.212 815 2HB PRO 101 HB1 PRO 101 4.411 13.794 -4.496 816 1HG PRO 101 HG2 PRO 101 2.225 15.138 -5.109 817 2HG PRO 101 HG1 PRO 101 2.715 13.755 -6.107 818 1HD PRO 101 HD2 PRO 101 0.516 13.966 -4.110 819 2HD PRO 101 HD1 PRO 101 0.601 13.009 -5.604 820 H GLY 102 HN GLY 102 5.130 10.873 -3.083 821 1HA GLY 102 HA2 GLY 102 4.660 11.357 -0.212 822 2HA GLY 102 HA1 GLY 102 4.942 9.728 -0.803 823 H GLU 103 HN GLU 103 6.565 10.574 1.124 824 HA GLU 103 HA GLU 103 9.100 11.104 -0.281 825 1HB GLU 103 HB2 GLU 103 8.067 12.952 1.305 826 2HB GLU 103 HB1 GLU 103 8.752 11.939 2.568 827 1HG GLU 103 HG2 GLU 103 10.611 13.120 2.266 828 2HG GLU 103 HG1 GLU 103 10.832 12.153 0.808 829 H TRP 104 HN TRP 104 11.004 10.161 0.754 830 HA TRP 104 HA TRP 104 10.454 7.510 1.694 831 1HB TRP 104 HB2 TRP 104 13.215 8.606 1.923 832 2HB TRP 104 HB1 TRP 104 12.676 7.049 1.309 833 HD1 TRP 104 HD1 TRP 104 10.684 8.329 -0.953 834 HE1 TRP 104 HE1 TRP 104 11.760 9.307 -3.076 835 HE3 TRP 104 HE3 TRP 104 15.421 9.093 0.813 836 HZ2 TRP 104 HZ2 TRP 104 14.282 10.275 -3.895 837 HZ3 TRP 104 HZ3 TRP 104 17.105 10.048 -0.704 838 HH2 TRP 104 HH2 TRP 104 16.546 10.626 -3.009 839 H MET 105 HN MET 105 9.702 7.253 3.694 840 HA MET 105 HA MET 105 11.099 8.636 5.888 841 1HB MET 105 HB2 MET 105 8.988 8.521 7.166 842 2HB MET 105 HB1 MET 105 8.837 9.484 5.702 843 1HG MET 105 HG2 MET 105 6.910 8.268 5.631 844 2HG MET 105 HG1 MET 105 7.979 7.252 4.666 845 1HE MET 105 HE1 MET 105 6.026 6.993 8.506 846 2HE MET 105 HE2 MET 105 7.288 8.177 8.163 847 3HE MET 105 HE3 MET 105 7.667 6.728 9.095 848 H SER 106 HN SER 106 11.266 7.469 7.900 849 HA SER 106 HA SER 106 11.981 4.742 7.512 850 1HB SER 106 HB2 SER 106 13.214 6.037 9.125 851 2HB SER 106 HB1 SER 106 11.741 6.427 10.014 852 HG SER 106 HG SER 106 13.281 4.139 10.053 853 H LEU 107 HN LEU 107 10.585 3.121 7.357 854 HA LEU 107 HA LEU 107 7.880 3.340 8.258 855 1HB LEU 107 HB2 LEU 107 9.168 1.849 6.361 856 2HB LEU 107 HB1 LEU 107 8.863 0.653 7.607 857 HG LEU 107 HG LEU 107 7.089 0.727 5.890 858 1HD1 LEU 107 1HD1 LEU 107 5.475 0.235 7.387 859 2HD1 LEU 107 2HD1 LEU 107 5.704 1.731 8.292 860 3HD1 LEU 107 3HD1 LEU 107 6.807 0.376 8.533 861 1HD2 LEU 107 1HD2 LEU 107 6.083 3.300 6.976 862 2HD2 LEU 107 2HD2 LEU 107 5.864 2.580 5.381 863 3HD2 LEU 107 3HD2 LEU 107 7.392 3.357 5.796 864 H VAL 108 HN VAL 108 10.799 2.278 9.697 865 HA VAL 108 HA VAL 108 9.922 0.306 11.459 866 HB VAL 108 HB VAL 108 11.994 2.392 12.135 867 1HG1 VAL 108 1HG1 VAL 108 11.721 -0.503 12.939 868 2HG1 VAL 108 2HG1 VAL 108 11.341 0.889 13.955 869 3HG1 VAL 108 3HG1 VAL 108 13.002 0.600 13.439 870 1HG2 VAL 108 1HG2 VAL 108 12.036 0.215 10.133 871 2HG2 VAL 108 2HG2 VAL 108 13.466 0.386 11.150 872 3HG2 VAL 108 3HG2 VAL 108 12.915 1.744 10.169 873 H GLY 109 HN GLY 109 9.137 3.635 11.384 874 1HA GLY 109 HA2 GLY 109 8.028 3.430 14.110 875 2HA GLY 109 HA1 GLY 109 8.700 4.922 13.472 876 H LEU 110 HN LEU 110 6.560 2.567 11.912 877 HA LEU 110 HA LEU 110 4.897 4.526 10.765 878 1HB LEU 110 HB2 LEU 110 5.221 1.995 10.206 879 2HB LEU 110 HB1 LEU 110 3.928 1.755 11.366 880 HG LEU 110 HG LEU 110 2.440 3.159 10.020 881 1HD1 LEU 110 1HD1 LEU 110 3.510 3.476 7.576 882 2HD1 LEU 110 2HD1 LEU 110 4.950 3.692 8.572 883 3HD1 LEU 110 3HD1 LEU 110 3.540 4.722 8.824 884 1HD2 LEU 110 1HD2 LEU 110 2.573 0.729 9.619 885 2HD2 LEU 110 2HD2 LEU 110 3.778 1.023 8.366 886 3HD2 LEU 110 3HD2 LEU 110 2.136 1.635 8.171 887 H ASN 111 HN ASN 111 2.808 5.252 11.334 888 HA ASN 111 HA ASN 111 2.054 4.702 14.116 889 1HB ASN 111 HB2 ASN 111 2.794 7.177 12.936 890 2HB ASN 111 HB1 ASN 111 1.086 7.260 13.351 891 1HD2 ASN 111 1HD2 ASN 111 0.459 7.120 15.498 892 2HD2 ASN 111 2HD2 ASN 111 1.578 7.315 16.799 893 H ALA 112 HN ALA 112 0.120 3.980 14.484 894 HA ALA 112 HA ALA 112 -1.736 3.549 12.366 895 1HB ALA 112 HB1 ALA 112 -2.943 2.261 13.854 896 2HB ALA 112 HB2 ALA 112 -2.497 3.258 15.240 897 3HB ALA 112 HB3 ALA 112 -1.316 2.156 14.531 898 H ASP 113 HN ASP 113 -1.125 6.162 14.464 899 HA ASP 113 HA ASP 113 -3.806 7.168 14.622 900 1HB ASP 113 HB2 ASP 113 -1.720 7.592 16.181 901 2HB ASP 113 HB1 ASP 113 -1.426 8.919 15.060 902 H ASP 114 HN ASP 114 -0.894 8.146 12.796 903 HA ASP 114 HA ASP 114 -2.180 10.252 11.409 904 1HB ASP 114 HB2 ASP 114 -0.063 9.273 9.793 905 2HB ASP 114 HB1 ASP 114 -0.088 10.709 10.796 906 H PHE 115 HN PHE 115 -1.656 6.860 10.668 907 HA PHE 115 HA PHE 115 -2.806 7.070 8.037 908 1HB PHE 115 HB2 PHE 115 -1.914 5.012 7.724 909 2HB PHE 115 HB1 PHE 115 -1.085 5.304 9.253 910 HD1 PHE 115 HD1 PHE 115 -3.158 4.947 11.201 911 HD2 PHE 115 HD2 PHE 115 -2.419 2.763 7.641 912 HE1 PHE 115 HE1 PHE 115 -4.243 2.980 12.201 913 HE2 PHE 115 HE2 PHE 115 -3.502 0.789 8.624 914 HZ PHE 115 HZ PHE 115 -4.416 0.902 10.908 915 HA PRO 116 HA PRO 116 -7.032 6.143 8.984 916 1HB PRO 116 HB2 PRO 116 -7.747 4.097 7.364 917 2HB PRO 116 HB1 PRO 116 -7.417 5.721 6.750 918 1HG PRO 116 HG2 PRO 116 -5.647 3.308 6.770 919 2HG PRO 116 HG1 PRO 116 -5.906 4.495 5.479 920 1HD PRO 116 HD2 PRO 116 -3.745 4.548 7.125 921 2HD PRO 116 HD1 PRO 116 -4.448 6.011 6.408 922 HA PRO 117 HA PRO 117 -6.720 3.026 12.206 923 1HB PRO 117 HB2 PRO 117 -9.305 3.264 13.096 924 2HB PRO 117 HB1 PRO 117 -7.988 4.343 13.569 925 1HG PRO 117 HG2 PRO 117 -10.102 4.730 11.486 926 2HG PRO 117 HG1 PRO 117 -9.466 5.892 12.666 927 1HD PRO 117 HD2 PRO 117 -8.684 5.924 10.098 928 2HD PRO 117 HD1 PRO 117 -7.558 6.306 11.418 929 H ALA 118 HN ALA 118 -8.843 2.972 9.502 930 HA ALA 118 HA ALA 118 -10.186 0.537 10.085 931 1HB ALA 118 HB1 ALA 118 -9.885 2.256 7.678 932 2HB ALA 118 HB2 ALA 118 -11.344 1.772 8.542 933 3HB ALA 118 HB3 ALA 118 -10.519 0.621 7.491 934 H ASN 119 HN ASN 119 -6.996 1.136 9.264 935 HA ASN 119 HA ASN 119 -6.682 -1.601 8.216 936 1HB ASN 119 HB2 ASN 119 -5.639 0.995 7.327 937 2HB ASN 119 HB1 ASN 119 -4.430 -0.283 7.392 938 1HD2 ASN 119 1HD2 ASN 119 -7.865 -0.168 6.504 939 2HD2 ASN 119 2HD2 ASN 119 -7.662 -0.895 4.950 940 H GLU 120 HN GLU 120 -6.659 -0.787 11.021 941 HA GLU 120 HA GLU 120 -3.951 -0.632 11.911 942 1HB GLU 120 HB2 GLU 120 -6.552 -0.444 13.086 943 2HB GLU 120 HB1 GLU 120 -5.581 -1.571 14.023 944 1HG GLU 120 HG2 GLU 120 -3.789 0.200 14.070 945 2HG GLU 120 HG1 GLU 120 -4.992 1.307 13.407 946 HA PRO 121 HA PRO 121 -5.025 -5.364 13.163 947 1HB PRO 121 HB2 PRO 121 -6.229 -5.832 10.463 948 2HB PRO 121 HB1 PRO 121 -6.557 -6.650 11.995 949 1HG PRO 121 HG2 PRO 121 -8.236 -4.810 11.057 950 2HG PRO 121 HG1 PRO 121 -7.881 -4.921 12.791 951 1HD PRO 121 HD2 PRO 121 -6.980 -2.909 10.800 952 2HD PRO 121 HD1 PRO 121 -7.260 -2.727 12.542 953 H VAL 122 HN VAL 122 -4.270 -4.114 9.948 954 HA VAL 122 HA VAL 122 -2.341 -6.163 9.375 955 HB VAL 122 HB VAL 122 -2.568 -3.496 7.981 956 1HG1 VAL 122 1HG1 VAL 122 -1.890 -5.123 6.046 957 2HG1 VAL 122 2HG1 VAL 122 -1.313 -6.132 7.373 958 3HG1 VAL 122 3HG1 VAL 122 -0.672 -4.503 7.161 959 1HG2 VAL 122 1HG2 VAL 122 -3.966 -5.889 6.910 960 2HG2 VAL 122 2HG2 VAL 122 -4.344 -4.176 6.723 961 3HG2 VAL 122 3HG2 VAL 122 -4.732 -5.005 8.229 962 H ILE 123 HN ILE 123 -2.280 -2.778 10.382 963 HA ILE 123 HA ILE 123 0.538 -2.520 10.403 964 HB ILE 123 HB ILE 123 -1.480 -0.943 12.003 965 1HG1 ILE 123 2HG1 ILE 123 -1.800 -1.002 9.481 966 2HG1 ILE 123 1HG1 ILE 123 -1.582 0.592 10.196 967 1HG2 ILE 123 1HG2 ILE 123 0.443 -0.235 12.961 968 2HG2 ILE 123 2HG2 ILE 123 0.526 0.770 11.513 969 3HG2 ILE 123 3HG2 ILE 123 1.436 -0.739 11.592 970 1HD1 ILE 123 1HD1 ILE 123 -0.292 -0.196 8.017 971 2HD1 ILE 123 2HD1 ILE 123 0.846 -0.782 9.232 972 3HD1 ILE 123 3HD1 ILE 123 0.405 0.928 9.186 973 H ALA 124 HN ALA 124 -1.810 -3.595 12.794 974 HA ALA 124 HA ALA 124 -0.251 -3.474 15.088 975 1HB ALA 124 HB1 ALA 124 -2.516 -4.034 15.372 976 2HB ALA 124 HB2 ALA 124 -1.631 -5.490 15.825 977 3HB ALA 124 HB3 ALA 124 -2.412 -5.388 14.248 978 H LYS 125 HN LYS 125 -0.069 -5.602 12.355 979 HA LYS 125 HA LYS 125 1.590 -7.564 13.663 980 1HB LYS 125 HB2 LYS 125 0.066 -7.496 11.337 981 2HB LYS 125 HB1 LYS 125 1.725 -7.574 10.758 982 1HG LYS 125 HG2 LYS 125 1.316 -9.791 10.948 983 2HG LYS 125 HG1 LYS 125 1.872 -9.484 12.594 984 1HD LYS 125 HD2 LYS 125 -1.024 -9.149 12.001 985 2HD LYS 125 HD1 LYS 125 -0.378 -10.788 12.109 986 1HE LYS 125 HE2 LYS 125 -0.864 -10.509 14.302 987 2HE LYS 125 HE1 LYS 125 0.724 -9.744 14.312 988 1HZ LYS 125 HZ1 LYS 125 -0.159 -7.715 14.630 989 2HZ LYS 125 HZ2 LYS 125 -1.476 -8.580 15.244 990 3HZ LYS 125 HZ3 LYS 125 -1.509 -8.010 13.652 991 H LEU 126 HN LEU 126 2.174 -5.118 11.122 992 HA LEU 126 HA LEU 126 5.012 -5.544 11.191 993 1HB LEU 126 HB2 LEU 126 4.770 -4.720 9.143 994 2HB LEU 126 HB1 LEU 126 3.125 -4.230 9.490 995 HG LEU 126 HG LEU 126 5.479 -2.514 10.248 996 1HD1 LEU 126 1HD1 LEU 126 4.347 -3.029 7.597 997 2HD1 LEU 126 2HD1 LEU 126 5.894 -2.319 8.056 998 3HD1 LEU 126 3HD1 LEU 126 4.439 -1.325 8.037 999 1HD2 LEU 126 1HD2 LEU 126 2.758 -2.367 10.802 1000 2HD2 LEU 126 2HD2 LEU 126 3.011 -1.212 9.494 1001 3HD2 LEU 126 3HD2 LEU 126 3.947 -1.078 10.983 1002 H LYS 127 HN LYS 127 2.784 -3.243 12.593 1003 HA LYS 127 HA LYS 127 4.479 -1.191 13.339 1004 1HB LYS 127 HB2 LYS 127 2.024 -1.233 13.605 1005 2HB LYS 127 HB1 LYS 127 2.204 -2.309 14.975 1006 1HG LYS 127 HG2 LYS 127 3.109 -0.665 16.316 1007 2HG LYS 127 HG1 LYS 127 3.599 0.330 14.944 1008 1HD LYS 127 HD2 LYS 127 1.706 1.342 16.077 1009 2HD LYS 127 HD1 LYS 127 1.229 0.799 14.467 1010 1HE LYS 127 HE2 LYS 127 0.864 -1.123 16.685 1011 2HE LYS 127 HE1 LYS 127 -0.199 0.283 16.675 1012 1HZ LYS 127 HZ1 LYS 127 -1.150 -1.602 15.475 1013 2HZ LYS 127 HZ2 LYS 127 0.161 -1.600 14.406 1014 3HZ LYS 127 HZ3 LYS 127 -0.896 -0.281 14.447 1015 H ARG 128 HN ARG 128 3.811 -4.245 14.992 1016 HA ARG 128 HA ARG 128 5.449 -3.686 17.251 1017 1HB ARG 128 HB2 ARG 128 3.680 -5.365 17.361 1018 2HB ARG 128 HB1 ARG 128 4.478 -6.319 16.118 1019 1HG ARG 128 HG2 ARG 128 6.273 -6.867 17.567 1020 2HG ARG 128 HG1 ARG 128 5.747 -5.685 18.767 1021 1HD ARG 128 HD2 ARG 128 3.700 -6.981 19.135 1022 2HD ARG 128 HD1 ARG 128 4.238 -8.163 17.943 1023 HE ARG 128 HE ARG 128 6.184 -7.833 19.975 1024 1HH1 ARG 128 1HH1 ARG 128 3.072 -9.290 19.364 1025 2HH1 ARG 128 2HH1 ARG 128 3.284 -10.537 20.547 1026 1HH2 ARG 128 1HH2 ARG 128 6.465 -9.473 21.530 1027 2HH2 ARG 128 2HH2 ARG 128 5.211 -10.641 21.776 1028 H LEU 129 HN LEU 129 6.172 -4.241 14.048 1029 HA LEU 129 HA LEU 129 8.024 -4.898 12.888 1030 1HB LEU 129 HB2 LEU 129 9.662 -3.988 15.215 1031 2HB LEU 129 HB1 LEU 129 9.961 -3.775 13.501 1032 HG LEU 129 HG LEU 129 7.619 -2.358 13.916 1033 1HD1 LEU 129 1HD1 LEU 129 8.072 -2.673 16.381 1034 2HD1 LEU 129 2HD1 LEU 129 7.882 -1.007 15.833 1035 3HD1 LEU 129 3HD1 LEU 129 9.491 -1.650 16.158 1036 1HD2 LEU 129 1HD2 LEU 129 10.201 -0.922 14.169 1037 2HD2 LEU 129 2HD2 LEU 129 8.825 -0.606 13.112 1038 3HD2 LEU 129 3HD2 LEU 129 9.953 -1.907 12.727 1039 1HO1 MO2 130 1HO1 MO2 130 -5.966 3.806 -7.403 1040 2HO1 MO2 130 2HO1 MO2 130 -6.328 4.177 -11.263 1041 1HO2 MO2 130 1HO2 MO2 130 -5.884 4.877 -8.467 1042 2HO2 MO2 130 2HO2 MO2 130 -5.233 3.630 -12.152 1043 1H5* 8OG 131 1H5* 8OG 131 -12.106 4.242 -3.242 1044 2H5* 8OG 131 2H5* 8OG 131 -11.719 4.538 -1.574 1045 H4* 8OG 131 1H4* 8OG 131 -10.364 2.639 -3.476 1046 H3* 8OG 131 1H3* 8OG 131 -12.563 2.225 -1.741 1047 1H2* 8OG 131 1H2* 8OG 131 -11.666 1.166 0.012 1048 2H2* 8OG 131 2H2* 8OG 131 -10.866 0.035 -1.056 1049 H1* 8OG 131 1H1* 8OG 131 -8.907 1.014 -0.735 1050 H1 8OG 131 H1 8OG 131 -5.694 1.041 4.273 1051 H7 8OG 131 H7 8OG 131 -10.145 3.224 3.708 1052 1H2 8OG 131 H21 8OG 131 -4.907 -0.255 1.120 1053 2H2 8OG 131 H22 8OG 131 -4.408 -0.057 2.767 1054 H3T 8OG 131 *HO1 8OG 131 -11.052 0.421 -3.393 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -24.276 -6.866 -4.625 2 2H MET 1 HT2 MET 1 -24.152 -6.833 -2.913 3 3H MET 1 HT3 MET 1 -25.031 -8.087 -3.688 4 HA MET 1 HA MET 1 -22.770 -8.643 -2.846 5 1HB MET 1 HB2 MET 1 -23.922 -9.109 -5.555 6 2HB MET 1 HB1 MET 1 -22.296 -9.704 -5.247 7 1HG MET 1 HG2 MET 1 -23.015 -11.175 -3.592 8 2HG MET 1 HG1 MET 1 -24.553 -10.339 -3.388 9 1HE MET 1 HE1 MET 1 -26.063 -9.934 -5.202 10 2HE MET 1 HE2 MET 1 -26.901 -11.418 -5.655 11 3HE MET 1 HE3 MET 1 -25.897 -10.577 -6.836 12 H LYS 2 HN LYS 2 -22.414 -5.864 -3.225 13 HA LYS 2 HA LYS 2 -20.500 -5.377 -5.292 14 1HB LYS 2 HB2 LYS 2 -21.925 -3.835 -3.327 15 2HB LYS 2 HB1 LYS 2 -20.217 -3.418 -3.275 16 1HG LYS 2 HG2 LYS 2 -20.738 -3.452 -5.965 17 2HG LYS 2 HG1 LYS 2 -22.236 -2.814 -5.287 18 1HD LYS 2 HD2 LYS 2 -21.272 -0.878 -4.663 19 2HD LYS 2 HD1 LYS 2 -19.788 -1.673 -4.134 20 1HE LYS 2 HE2 LYS 2 -18.772 -1.389 -6.128 21 2HE LYS 2 HE1 LYS 2 -20.255 -1.669 -7.041 22 1HZ LYS 2 HZ1 LYS 2 -20.160 0.798 -5.513 23 2HZ LYS 2 HZ2 LYS 2 -20.746 0.511 -7.073 24 3HZ LYS 2 HZ3 LYS 2 -19.086 0.709 -6.818 25 H LYS 3 HN LYS 3 -18.348 -5.595 -5.260 26 HA LYS 3 HA LYS 3 -16.976 -5.947 -2.699 27 1HB LYS 3 HB2 LYS 3 -15.694 -7.866 -3.659 28 2HB LYS 3 HB1 LYS 3 -17.396 -8.207 -3.384 29 1HG LYS 3 HG2 LYS 3 -17.886 -8.285 -5.628 30 2HG LYS 3 HG1 LYS 3 -16.510 -7.271 -6.072 31 1HD LYS 3 HD2 LYS 3 -15.998 -9.936 -4.838 32 2HD LYS 3 HD1 LYS 3 -16.492 -9.863 -6.530 33 1HE LYS 3 HE2 LYS 3 -14.633 -8.215 -6.897 34 2HE LYS 3 HE1 LYS 3 -14.087 -8.568 -5.259 35 1HZ LYS 3 HZ1 LYS 3 -13.802 -10.882 -5.889 36 2HZ LYS 3 HZ2 LYS 3 -12.890 -9.878 -6.899 37 3HZ LYS 3 HZ3 LYS 3 -14.338 -10.548 -7.459 38 H LEU 4 HN LEU 4 -15.079 -4.909 -2.602 39 HA LEU 4 HA LEU 4 -13.849 -4.027 -5.129 40 1HB LEU 4 HB2 LEU 4 -13.174 -1.945 -3.938 41 2HB LEU 4 HB1 LEU 4 -14.899 -2.101 -4.200 42 HG LEU 4 HG LEU 4 -14.778 -3.135 -1.737 43 1HD1 LEU 4 1HD1 LEU 4 -12.827 -0.969 -1.313 44 2HD1 LEU 4 2HD1 LEU 4 -12.186 -2.463 -1.999 45 3HD1 LEU 4 3HD1 LEU 4 -13.040 -2.495 -0.455 46 1HD2 LEU 4 1HD2 LEU 4 -16.225 -1.439 -1.670 47 2HD2 LEU 4 2HD2 LEU 4 -15.329 -0.518 -2.879 48 3HD2 LEU 4 3HD2 LEU 4 -14.860 -0.435 -1.180 49 H GLN 5 HN GLN 5 -11.778 -4.560 -5.353 50 HA GLN 5 HA GLN 5 -10.354 -5.603 -3.013 51 1HB GLN 5 HB2 GLN 5 -9.371 -5.933 -5.819 52 2HB GLN 5 HB1 GLN 5 -9.128 -6.978 -4.428 53 1HG GLN 5 HG2 GLN 5 -11.395 -7.757 -4.551 54 2HG GLN 5 HG1 GLN 5 -11.756 -6.607 -5.833 55 1HE2 GLN 5 1HE2 GLN 5 -11.462 -7.213 -7.877 56 2HE2 GLN 5 2HE2 GLN 5 -10.681 -8.669 -8.384 57 H ILE 6 HN ILE 6 -8.182 -5.061 -2.642 58 HA ILE 6 HA ILE 6 -7.076 -2.767 -4.047 59 HB ILE 6 HB ILE 6 -7.176 -2.793 -1.040 60 1HG1 ILE 6 2HG1 ILE 6 -8.911 -0.868 -1.544 61 2HG1 ILE 6 1HG1 ILE 6 -9.198 -1.801 -3.007 62 1HG2 ILE 6 1HG2 ILE 6 -5.652 -1.373 -2.781 63 2HG2 ILE 6 2HG2 ILE 6 -6.064 -0.857 -1.147 64 3HG2 ILE 6 3HG2 ILE 6 -7.010 -0.277 -2.519 65 1HD1 ILE 6 1HD1 ILE 6 -9.194 -3.377 -0.541 66 2HD1 ILE 6 2HD1 ILE 6 -10.305 -3.402 -1.910 67 3HD1 ILE 6 3HD1 ILE 6 -10.480 -2.176 -0.655 68 H ALA 7 HN ALA 7 -4.854 -2.789 -4.129 69 HA ALA 7 HA ALA 7 -3.488 -4.907 -2.595 70 1HB ALA 7 HB1 ALA 7 -1.927 -4.840 -4.731 71 2HB ALA 7 HB2 ALA 7 -3.414 -4.297 -5.511 72 3HB ALA 7 HB3 ALA 7 -3.368 -5.852 -4.675 73 H VAL 8 HN VAL 8 -1.848 -4.135 -1.361 74 HA VAL 8 HA VAL 8 -0.526 -1.681 -2.273 75 HB VAL 8 HB VAL 8 -1.544 -0.512 -0.679 76 1HG1 VAL 8 1HG1 VAL 8 -2.275 -3.131 0.611 77 2HG1 VAL 8 2HG1 VAL 8 -3.313 -2.047 -0.317 78 3HG1 VAL 8 3HG1 VAL 8 -2.732 -1.563 1.276 79 1HG2 VAL 8 1HG2 VAL 8 0.107 -2.157 1.239 80 2HG2 VAL 8 2HG2 VAL 8 -0.556 -0.551 1.537 81 3HG2 VAL 8 3HG2 VAL 8 0.690 -0.775 0.311 82 H GLY 9 HN GLY 9 1.568 -1.337 -1.546 83 1HA GLY 9 HA2 GLY 9 2.894 -3.439 -0.032 84 2HA GLY 9 HA1 GLY 9 3.404 -3.251 -1.704 85 H ILE 10 HN ILE 10 4.241 -2.472 1.336 86 HA ILE 10 HA ILE 10 4.940 0.287 1.035 87 HB ILE 10 HB ILE 10 6.688 -0.891 2.941 88 1HG1 ILE 10 2HG1 ILE 10 3.834 -1.858 3.226 89 2HG1 ILE 10 1HG1 ILE 10 5.253 -2.870 2.975 90 1HG2 ILE 10 1HG2 ILE 10 5.941 0.801 4.209 91 2HG2 ILE 10 2HG2 ILE 10 4.246 0.399 3.932 92 3HG2 ILE 10 3HG2 ILE 10 5.143 1.317 2.723 93 1HD1 ILE 10 1HD1 ILE 10 4.631 -1.199 5.396 94 2HD1 ILE 10 2HD1 ILE 10 6.137 -2.081 5.144 95 3HD1 ILE 10 3HD1 ILE 10 4.613 -2.959 5.278 96 H ILE 11 HN ILE 11 6.432 0.995 -0.347 97 HA ILE 11 HA ILE 11 8.356 -0.733 -1.532 98 HB ILE 11 HB ILE 11 8.673 2.231 -1.673 99 1HG1 ILE 11 2HG1 ILE 11 6.399 0.614 -2.797 100 2HG1 ILE 11 1HG1 ILE 11 6.350 2.185 -2.003 101 1HG2 ILE 11 1HG2 ILE 11 9.760 1.804 -3.621 102 2HG2 ILE 11 2HG2 ILE 11 8.727 0.434 -4.026 103 3HG2 ILE 11 3HG2 ILE 11 10.016 0.243 -2.840 104 1HD1 ILE 11 1HD1 ILE 11 7.429 1.621 -4.752 105 2HD1 ILE 11 2HD1 ILE 11 7.408 3.197 -3.963 106 3HD1 ILE 11 3HD1 ILE 11 5.890 2.395 -4.371 107 H ARG 12 HN ARG 12 10.241 -1.337 -0.781 108 HA ARG 12 HA ARG 12 11.352 -0.106 1.578 109 1HB ARG 12 HB2 ARG 12 11.609 -2.640 0.204 110 2HB ARG 12 HB1 ARG 12 13.184 -1.992 0.640 111 1HG ARG 12 HG2 ARG 12 11.377 -1.693 2.838 112 2HG ARG 12 HG1 ARG 12 11.372 -3.362 2.277 113 1HD ARG 12 HD2 ARG 12 14.023 -2.834 2.248 114 2HD ARG 12 HD1 ARG 12 13.503 -1.805 3.580 115 HE ARG 12 HE ARG 12 13.766 -4.615 3.634 116 1HH1 ARG 12 1HH1 ARG 12 11.691 -2.054 4.779 117 2HH1 ARG 12 2HH1 ARG 12 11.152 -2.939 6.166 118 1HH2 ARG 12 1HH2 ARG 12 13.059 -5.783 5.457 119 2HH2 ARG 12 2HH2 ARG 12 11.929 -5.056 6.551 120 H ASN 13 HN ASN 13 12.683 1.506 1.569 121 HA ASN 13 HA ASN 13 13.977 2.424 -0.820 122 1HB ASN 13 HB2 ASN 13 13.012 3.849 1.071 123 2HB ASN 13 HB1 ASN 13 14.501 3.500 1.900 124 1HD2 ASN 13 1HD2 ASN 13 14.218 3.973 -1.562 125 2HD2 ASN 13 2HD2 ASN 13 15.103 5.453 -1.614 126 H GLU 14 HN GLU 14 16.273 3.438 -0.136 127 HA GLU 14 HA GLU 14 18.039 1.171 -0.103 128 1HB GLU 14 HB2 GLU 14 18.480 2.930 -1.666 129 2HB GLU 14 HB1 GLU 14 18.465 4.144 -0.391 130 1HG GLU 14 HG2 GLU 14 20.459 1.985 -0.114 131 2HG GLU 14 HG1 GLU 14 20.702 3.109 -1.451 132 H ASN 15 HN ASN 15 16.627 2.798 2.388 133 HA ASN 15 HA ASN 15 18.859 2.142 4.168 134 1HB ASN 15 HB2 ASN 15 18.986 4.565 3.728 135 2HB ASN 15 HB1 ASN 15 17.324 4.748 4.282 136 1HD2 ASN 15 1HD2 ASN 15 17.267 5.634 6.205 137 2HD2 ASN 15 2HD2 ASN 15 18.339 5.300 7.518 138 H ASN 16 HN ASN 16 16.851 0.442 3.924 139 HA ASN 16 HA ASN 16 15.076 -0.600 4.921 140 1HB ASN 16 HB2 ASN 16 15.298 -0.872 7.316 141 2HB ASN 16 HB1 ASN 16 16.899 -0.879 6.586 142 1HD2 ASN 16 1HD2 ASN 16 18.364 0.298 7.567 143 2HD2 ASN 16 2HD2 ASN 16 18.065 1.661 8.587 144 H GLU 17 HN GLU 17 14.638 2.206 4.110 145 HA GLU 17 HA GLU 17 12.421 2.856 5.937 146 1HB GLU 17 HB2 GLU 17 12.648 5.202 5.090 147 2HB GLU 17 HB1 GLU 17 14.034 4.641 6.014 148 1HG GLU 17 HG2 GLU 17 15.132 4.102 3.813 149 2HG GLU 17 HG1 GLU 17 13.810 4.975 3.040 150 H ILE 18 HN ILE 18 10.443 3.548 4.938 151 HA ILE 18 HA ILE 18 10.273 2.878 2.075 152 HB ILE 18 HB ILE 18 8.421 2.043 4.288 153 1HG1 ILE 18 2HG1 ILE 18 9.221 0.065 2.306 154 2HG1 ILE 18 1HG1 ILE 18 10.599 0.787 3.130 155 1HG2 ILE 18 1HG2 ILE 18 7.865 2.419 1.418 156 2HG2 ILE 18 2HG2 ILE 18 6.775 2.467 2.802 157 3HG2 ILE 18 3HG2 ILE 18 7.290 0.918 2.138 158 1HD1 ILE 18 1HD1 ILE 18 9.773 -1.275 4.196 159 2HD1 ILE 18 2HD1 ILE 18 8.244 -0.458 4.520 160 3HD1 ILE 18 3HD1 ILE 18 9.731 0.127 5.265 161 H PHE 19 HN PHE 19 8.806 4.012 0.833 162 HA PHE 19 HA PHE 19 7.937 6.553 1.985 163 1HB PHE 19 HB2 PHE 19 8.623 7.424 0.039 164 2HB PHE 19 HB1 PHE 19 9.127 5.820 -0.475 165 HD1 PHE 19 HD1 PHE 19 6.692 8.465 -0.858 166 HD2 PHE 19 HD2 PHE 19 7.612 4.432 -1.846 167 HE1 PHE 19 HE1 PHE 19 5.014 8.529 -2.656 168 HE2 PHE 19 HE2 PHE 19 5.934 4.488 -3.647 169 HZ PHE 19 HZ PHE 19 4.634 6.538 -4.053 170 H ILE 20 HN ILE 20 5.879 6.856 2.527 171 HA ILE 20 HA ILE 20 3.830 5.183 1.228 172 HB ILE 20 HB ILE 20 2.788 6.276 3.639 173 1HG1 ILE 20 2HG1 ILE 20 4.374 4.808 5.148 174 2HG1 ILE 20 1HG1 ILE 20 5.558 5.166 3.895 175 1HG2 ILE 20 1HG2 ILE 20 3.509 3.471 2.819 176 2HG2 ILE 20 2HG2 ILE 20 1.958 4.281 2.607 177 3HG2 ILE 20 3HG2 ILE 20 2.529 3.883 4.227 178 1HD1 ILE 20 1HD1 ILE 20 5.644 7.385 4.428 179 2HD1 ILE 20 2HD1 ILE 20 5.309 6.686 6.011 180 3HD1 ILE 20 3HD1 ILE 20 4.003 7.407 5.071 181 H THR 21 HN THR 21 1.989 6.180 0.462 182 HA THR 21 HA THR 21 2.203 9.012 -0.015 183 HB THR 21 HB THR 21 0.433 8.758 -1.543 184 HG1 THR 21 HG1 THR 21 -0.224 6.278 -0.343 185 1HG2 THR 21 1HG2 THR 21 2.421 7.513 -2.268 186 2HG2 THR 21 2HG2 THR 21 0.920 6.822 -2.885 187 3HG2 THR 21 3HG2 THR 21 1.753 6.056 -1.532 188 H ARG 22 HN ARG 22 1.308 10.586 1.151 189 HA ARG 22 HA ARG 22 -0.783 9.845 3.087 190 1HB ARG 22 HB2 ARG 22 1.459 10.663 3.967 191 2HB ARG 22 HB1 ARG 22 1.054 12.229 3.279 192 1HG ARG 22 HG2 ARG 22 -0.761 12.521 4.753 193 2HG ARG 22 HG1 ARG 22 -0.724 10.828 5.251 194 1HD ARG 22 HD2 ARG 22 1.094 11.127 6.616 195 2HD ARG 22 HD1 ARG 22 1.705 12.493 5.683 196 HE ARG 22 HE ARG 22 -0.692 13.293 6.834 197 1HH1 ARG 22 1HH1 ARG 22 2.479 12.288 7.888 198 2HH1 ARG 22 2HH1 ARG 22 2.432 13.228 9.341 199 1HH2 ARG 22 1HH2 ARG 22 -0.755 14.530 8.746 200 2HH2 ARG 22 2HH2 ARG 22 0.595 14.501 9.829 201 H ARG 23 HN ARG 23 -2.236 11.720 3.680 202 HA ARG 23 HA ARG 23 -3.480 12.679 1.304 203 1HB ARG 23 HB2 ARG 23 -3.952 13.145 4.237 204 2HB ARG 23 HB1 ARG 23 -4.861 14.030 3.020 205 1HG ARG 23 HG2 ARG 23 -5.070 11.405 2.196 206 2HG ARG 23 HG1 ARG 23 -5.164 11.300 3.955 207 1HD ARG 23 HD2 ARG 23 -7.251 12.058 3.928 208 2HD ARG 23 HD1 ARG 23 -6.754 13.500 3.044 209 HE ARG 23 HE ARG 23 -8.147 11.273 1.995 210 1HH1 ARG 23 1HH1 ARG 23 -5.665 13.584 1.170 211 2HH1 ARG 23 2HH1 ARG 23 -5.970 13.493 -0.531 212 1HH2 ARG 23 1HH2 ARG 23 -8.550 11.153 -0.244 213 2HH2 ARG 23 2HH2 ARG 23 -7.608 12.112 -1.335 214 H ALA 24 HN ALA 24 -1.232 13.652 0.727 215 HA ALA 24 HA ALA 24 0.132 15.443 0.409 216 1HB ALA 24 HB1 ALA 24 -1.793 17.545 0.562 217 2HB ALA 24 HB2 ALA 24 -2.546 16.131 -0.174 218 3HB ALA 24 HB3 ALA 24 -1.071 16.803 -0.866 219 H ALA 25 HN ALA 25 0.026 18.092 1.229 220 HA ALA 25 HA ALA 25 0.458 17.808 4.128 221 1HB ALA 25 HB1 ALA 25 2.222 19.303 4.009 222 2HB ALA 25 HB2 ALA 25 1.652 20.014 2.499 223 3HB ALA 25 HB3 ALA 25 2.380 18.408 2.498 224 H ASP 26 HN ASP 26 -1.142 19.664 1.648 225 HA ASP 26 HA ASP 26 -2.232 21.479 3.687 226 1HB ASP 26 HB2 ASP 26 -2.901 22.910 1.775 227 2HB ASP 26 HB1 ASP 26 -1.163 22.635 1.838 228 H ALA 27 HN ALA 27 -4.309 21.362 4.258 229 HA ALA 27 HA ALA 27 -6.466 20.654 4.398 230 1HB ALA 27 HB1 ALA 27 -6.738 20.141 1.507 231 2HB ALA 27 HB2 ALA 27 -6.223 21.766 1.959 232 3HB ALA 27 HB3 ALA 27 -7.735 21.113 2.590 233 H HIS 28 HN HIS 28 -8.009 18.813 3.261 234 HA HIS 28 HA HIS 28 -8.459 16.587 3.153 235 1HB HIS 28 HB2 HIS 28 -5.570 16.162 2.395 236 2HB HIS 28 HB1 HIS 28 -6.958 15.166 1.973 237 HD1 HIS 28 HD1 HIS 28 -8.499 18.067 1.261 238 HD2 HIS 28 HD2 HIS 28 -5.137 16.324 -0.449 239 HE1 HIS 28 HE1 HIS 28 -8.315 19.072 -1.037 240 HE2 HIS 28 HE2 HIS 28 -6.323 17.941 -2.083 241 H MET 29 HN MET 29 -8.378 14.736 4.437 242 HA MET 29 HA MET 29 -7.445 15.061 7.054 243 1HB MET 29 HB2 MET 29 -8.094 12.444 5.688 244 2HB MET 29 HB1 MET 29 -8.104 12.758 7.417 245 1HG MET 29 HG2 MET 29 -10.127 13.734 7.366 246 2HG MET 29 HG1 MET 29 -9.836 14.503 5.807 247 1HE MET 29 HE1 MET 29 -11.352 12.454 3.256 248 2HE MET 29 HE2 MET 29 -9.628 12.151 3.475 249 3HE MET 29 HE3 MET 29 -10.279 13.769 3.731 250 H ALA 30 HN ALA 30 -5.283 15.486 7.218 251 HA ALA 30 HA ALA 30 -3.258 14.038 5.864 252 1HB ALA 30 HB1 ALA 30 -1.716 15.318 7.076 253 2HB ALA 30 HB2 ALA 30 -2.838 15.559 8.417 254 3HB ALA 30 HB3 ALA 30 -3.116 16.373 6.878 255 H ASN 31 HN ASN 31 -5.211 13.157 8.470 256 HA ASN 31 HA ASN 31 -3.211 11.464 9.730 257 1HB ASN 31 HB2 ASN 31 -5.732 12.627 10.511 258 2HB ASN 31 HB1 ASN 31 -5.749 10.890 10.807 259 1HD2 ASN 31 1HD2 ASN 31 -3.014 13.112 10.922 260 2HD2 ASN 31 2HD2 ASN 31 -2.664 12.878 12.597 261 H LYS 32 HN LYS 32 -4.458 11.065 6.919 262 HA LYS 32 HA LYS 32 -5.297 8.285 7.349 263 1HB LYS 32 HB2 LYS 32 -6.325 10.386 5.580 264 2HB LYS 32 HB1 LYS 32 -6.079 8.836 4.785 265 1HG LYS 32 HG2 LYS 32 -7.402 7.827 6.715 266 2HG LYS 32 HG1 LYS 32 -7.871 9.483 7.099 267 1HD LYS 32 HD2 LYS 32 -9.604 8.825 5.728 268 2HD LYS 32 HD1 LYS 32 -8.511 9.582 4.567 269 1HE LYS 32 HE2 LYS 32 -8.795 7.662 3.426 270 2HE LYS 32 HE1 LYS 32 -7.576 7.048 4.542 271 1HZ LYS 32 HZ1 LYS 32 -9.164 5.976 5.817 272 2HZ LYS 32 HZ2 LYS 32 -9.734 5.730 4.243 273 3HZ LYS 32 HZ3 LYS 32 -10.443 6.912 5.223 274 H LEU 33 HN LEU 33 -2.595 9.366 7.096 275 HA LEU 33 HA LEU 33 -1.340 9.017 4.692 276 1HB LEU 33 HB2 LEU 33 -0.273 9.697 6.832 277 2HB LEU 33 HB1 LEU 33 -0.329 8.033 7.357 278 HG LEU 33 HG LEU 33 1.714 9.369 5.902 279 1HD1 LEU 33 1HD1 LEU 33 2.984 7.726 6.758 280 2HD1 LEU 33 2HD1 LEU 33 1.872 6.453 6.254 281 3HD1 LEU 33 3HD1 LEU 33 1.538 7.391 7.710 282 1HD2 LEU 33 1HD2 LEU 33 2.053 8.094 3.963 283 2HD2 LEU 33 2HD2 LEU 33 0.357 8.565 3.903 284 3HD2 LEU 33 3HD2 LEU 33 0.801 6.933 4.400 285 H GLU 34 HN GLU 34 -1.950 7.432 3.302 286 HA GLU 34 HA GLU 34 -1.912 4.663 4.296 287 1HB GLU 34 HB2 GLU 34 -3.902 5.983 2.922 288 2HB GLU 34 HB1 GLU 34 -3.087 5.086 1.649 289 1HG GLU 34 HG2 GLU 34 -3.502 3.016 2.719 290 2HG GLU 34 HG1 GLU 34 -4.032 3.813 4.199 291 H PHE 35 HN PHE 35 -1.727 3.271 1.974 292 HA PHE 35 HA PHE 35 0.915 4.048 0.934 293 1HB PHE 35 HB2 PHE 35 0.336 1.193 0.766 294 2HB PHE 35 HB1 PHE 35 1.761 2.015 1.385 295 HD1 PHE 35 HD1 PHE 35 2.250 1.832 3.623 296 HD2 PHE 35 HD2 PHE 35 -1.772 1.288 2.343 297 HE1 PHE 35 HE1 PHE 35 1.606 1.222 5.917 298 HE2 PHE 35 HE2 PHE 35 -2.422 0.678 4.635 299 HZ PHE 35 HZ PHE 35 -0.733 0.645 6.426 300 HA PRO 36 HA PRO 36 -0.468 3.723 -3.242 301 1HB PRO 36 HB2 PRO 36 1.521 2.274 -4.425 302 2HB PRO 36 HB1 PRO 36 1.689 3.974 -3.976 303 1HG PRO 36 HG2 PRO 36 2.614 1.529 -2.518 304 2HG PRO 36 HG1 PRO 36 3.463 3.065 -2.781 305 1HD PRO 36 HD2 PRO 36 2.258 2.489 -0.446 306 2HD PRO 36 HD1 PRO 36 2.301 4.140 -1.096 307 H GLY 37 HN GLY 37 -1.057 2.161 -5.002 308 1HA GLY 37 HA2 GLY 37 -1.495 -0.093 -5.688 309 2HA GLY 37 HA1 GLY 37 -1.439 -0.559 -4.013 310 H GLY 38 HN GLY 38 -3.216 1.703 -5.956 311 1HA GLY 38 HA2 GLY 38 -5.753 0.650 -4.904 312 2HA GLY 38 HA1 GLY 38 -5.466 2.381 -5.074 313 H LYS 39 HN LYS 39 -7.146 0.008 -6.435 314 HA LYS 39 HA LYS 39 -8.423 0.466 -8.404 315 1HB LYS 39 HB2 LYS 39 -6.964 2.397 -9.059 316 2HB LYS 39 HB1 LYS 39 -5.817 1.238 -9.720 317 1HG LYS 39 HG2 LYS 39 -6.931 1.205 -11.626 318 2HG LYS 39 HG1 LYS 39 -8.376 0.640 -10.786 319 1HD LYS 39 HD2 LYS 39 -7.770 3.521 -10.544 320 2HD LYS 39 HD1 LYS 39 -8.251 2.961 -12.147 321 1HE LYS 39 HE2 LYS 39 -10.336 3.291 -11.365 322 2HE LYS 39 HE1 LYS 39 -10.094 1.716 -10.611 323 1HZ LYS 39 HZ1 LYS 39 -10.666 2.852 -8.772 324 2HZ LYS 39 HZ2 LYS 39 -10.206 4.353 -9.401 325 3HZ LYS 39 HZ3 LYS 39 -9.037 3.308 -8.767 326 H ILE 40 HN ILE 40 -5.773 -1.390 -7.587 327 HA ILE 40 HA ILE 40 -5.198 -3.054 -9.651 328 HB ILE 40 HB ILE 40 -4.015 -3.698 -7.832 329 1HG1 ILE 40 2HG1 ILE 40 -6.221 -5.645 -7.257 330 2HG1 ILE 40 1HG1 ILE 40 -5.426 -5.675 -8.827 331 1HG2 ILE 40 1HG2 ILE 40 -6.429 -2.906 -6.369 332 2HG2 ILE 40 2HG2 ILE 40 -4.727 -2.636 -6.004 333 3HG2 ILE 40 3HG2 ILE 40 -5.475 -4.187 -5.619 334 1HD1 ILE 40 1HD1 ILE 40 -4.031 -7.094 -7.829 335 2HD1 ILE 40 2HD1 ILE 40 -4.477 -6.559 -6.214 336 3HD1 ILE 40 3HD1 ILE 40 -3.301 -5.642 -7.155 337 H GLU 41 HN GLU 41 -7.550 -4.063 -7.286 338 HA GLU 41 HA GLU 41 -8.993 -5.955 -7.746 339 1HB GLU 41 HB2 GLU 41 -11.163 -4.576 -8.346 340 2HB GLU 41 HB1 GLU 41 -10.387 -4.428 -6.778 341 1HG GLU 41 HG2 GLU 41 -10.134 -2.262 -7.086 342 2HG GLU 41 HG1 GLU 41 -9.195 -2.531 -8.542 343 H MET 42 HN MET 42 -10.069 -3.679 -10.216 344 HA MET 42 HA MET 42 -10.914 -4.154 -12.316 345 1HB MET 42 HB2 MET 42 -8.303 -3.719 -12.323 346 2HB MET 42 HB1 MET 42 -8.255 -5.374 -12.913 347 1HG MET 42 HG2 MET 42 -10.111 -4.419 -14.559 348 2HG MET 42 HG1 MET 42 -9.259 -2.915 -14.216 349 1HE MET 42 HE1 MET 42 -9.665 -4.956 -16.938 350 2HE MET 42 HE2 MET 42 -9.186 -6.364 -15.991 351 3HE MET 42 HE3 MET 42 -8.188 -5.829 -17.343 352 H GLY 43 HN GLY 43 -9.518 -6.399 -13.953 353 1HA GLY 43 HA2 GLY 43 -11.137 -8.607 -12.847 354 2HA GLY 43 HA1 GLY 43 -11.039 -8.258 -14.562 355 H GLU 44 HN GLU 44 -8.077 -7.793 -13.022 356 HA GLU 44 HA GLU 44 -6.871 -9.950 -14.433 357 1HB GLU 44 HB2 GLU 44 -5.996 -7.689 -12.812 358 2HB GLU 44 HB1 GLU 44 -5.013 -9.121 -12.547 359 1HG GLU 44 HG2 GLU 44 -3.859 -8.347 -14.301 360 2HG GLU 44 HG1 GLU 44 -5.138 -9.117 -15.237 361 H THR 45 HN THR 45 -5.009 -11.057 -12.739 362 HA THR 45 HA THR 45 -6.722 -12.651 -10.954 363 HB THR 45 HB THR 45 -4.078 -13.754 -11.417 364 HG1 THR 45 HG1 THR 45 -3.977 -13.774 -13.526 365 1HG2 THR 45 1HG2 THR 45 -5.749 -15.473 -12.634 366 2HG2 THR 45 2HG2 THR 45 -6.871 -14.643 -11.555 367 3HG2 THR 45 3HG2 THR 45 -5.446 -15.446 -10.896 368 HA PRO 46 HA PRO 46 -4.880 -11.307 -7.184 369 1HB PRO 46 HB2 PRO 46 -3.750 -13.787 -6.368 370 2HB PRO 46 HB1 PRO 46 -5.294 -13.098 -5.870 371 1HG PRO 46 HG2 PRO 46 -4.716 -15.121 -7.963 372 2HG PRO 46 HG1 PRO 46 -6.153 -14.932 -6.941 373 1HD PRO 46 HD2 PRO 46 -6.207 -14.260 -9.522 374 2HD PRO 46 HD1 PRO 46 -7.058 -13.280 -8.312 375 H GLU 47 HN GLU 47 -3.009 -13.156 -9.483 376 HA GLU 47 HA GLU 47 -0.483 -12.330 -8.323 377 1HB GLU 47 HB2 GLU 47 -1.332 -14.213 -10.463 378 2HB GLU 47 HB1 GLU 47 0.291 -13.542 -10.560 379 1HG GLU 47 HG2 GLU 47 0.203 -15.720 -9.417 380 2HG GLU 47 HG1 GLU 47 0.851 -14.431 -8.405 381 H GLN 48 HN GLN 48 -1.951 -12.040 -11.601 382 HA GLN 48 HA GLN 48 -0.080 -9.953 -12.277 383 1HB GLN 48 HB2 GLN 48 -1.168 -9.940 -14.451 384 2HB GLN 48 HB1 GLN 48 -0.813 -11.588 -13.952 385 1HG GLN 48 HG2 GLN 48 -3.130 -11.911 -13.302 386 2HG GLN 48 HG1 GLN 48 -3.497 -10.245 -13.745 387 1HE2 GLN 48 1HE2 GLN 48 -5.094 -11.163 -15.158 388 2HE2 GLN 48 2HE2 GLN 48 -4.628 -11.762 -16.710 389 H ALA 49 HN ALA 49 -2.896 -9.917 -10.523 390 HA ALA 49 HA ALA 49 -4.191 -7.628 -11.545 391 1HB ALA 49 HB1 ALA 49 -5.362 -9.143 -10.090 392 2HB ALA 49 HB2 ALA 49 -5.310 -7.550 -9.338 393 3HB ALA 49 HB3 ALA 49 -4.226 -8.824 -8.780 394 H VAL 50 HN VAL 50 -2.065 -7.956 -8.687 395 HA VAL 50 HA VAL 50 -1.806 -5.095 -8.471 396 HB VAL 50 HB VAL 50 -1.622 -5.973 -6.358 397 1HG1 VAL 50 1HG1 VAL 50 -1.618 -8.235 -6.456 398 2HG1 VAL 50 2HG1 VAL 50 0.071 -7.987 -6.014 399 3HG1 VAL 50 3HG1 VAL 50 -0.365 -8.293 -7.696 400 1HG2 VAL 50 1HG2 VAL 50 0.351 -4.546 -6.911 401 2HG2 VAL 50 2HG2 VAL 50 1.279 -6.023 -7.163 402 3HG2 VAL 50 3HG2 VAL 50 0.612 -5.662 -5.569 403 H VAL 51 HN VAL 51 0.244 -7.761 -9.569 404 HA VAL 51 HA VAL 51 2.643 -6.460 -9.897 405 HB VAL 51 HB VAL 51 1.455 -8.510 -11.775 406 1HG1 VAL 51 1HG1 VAL 51 3.264 -8.030 -13.012 407 2HG1 VAL 51 2HG1 VAL 51 4.157 -8.907 -11.769 408 3HG1 VAL 51 3HG1 VAL 51 4.046 -7.148 -11.700 409 1HG2 VAL 51 1HG2 VAL 51 3.459 -9.169 -9.677 410 2HG2 VAL 51 2HG2 VAL 51 2.188 -10.169 -10.380 411 3HG2 VAL 51 3HG2 VAL 51 1.781 -8.933 -9.189 412 H ARG 52 HN ARG 52 -0.218 -6.313 -11.926 413 HA ARG 52 HA ARG 52 1.085 -4.796 -13.981 414 1HB ARG 52 HB2 ARG 52 -0.922 -6.321 -14.312 415 2HB ARG 52 HB1 ARG 52 -1.889 -5.058 -13.562 416 1HG ARG 52 HG2 ARG 52 -1.780 -3.704 -15.370 417 2HG ARG 52 HG1 ARG 52 -0.160 -4.244 -15.815 418 1HD ARG 52 HD2 ARG 52 -2.704 -5.824 -16.186 419 2HD ARG 52 HD1 ARG 52 -1.850 -4.944 -17.453 420 HE ARG 52 HE ARG 52 0.037 -6.618 -16.466 421 1HH1 ARG 52 1HH1 ARG 52 -3.202 -7.095 -17.676 422 2HH1 ARG 52 2HH1 ARG 52 -2.881 -8.691 -18.264 423 1HH2 ARG 52 1HH2 ARG 52 0.461 -8.718 -17.239 424 2HH2 ARG 52 2HH2 ARG 52 -0.802 -9.613 -18.017 425 H GLU 53 HN GLU 53 -1.362 -4.049 -11.511 426 HA GLU 53 HA GLU 53 -1.503 -1.294 -12.037 427 1HB GLU 53 HB2 GLU 53 -2.655 -3.119 -10.200 428 2HB GLU 53 HB1 GLU 53 -1.967 -1.807 -9.253 429 1HG GLU 53 HG2 GLU 53 -3.949 -1.537 -11.501 430 2HG GLU 53 HG1 GLU 53 -4.281 -1.357 -9.780 431 H LEU 54 HN LEU 54 0.841 -3.199 -10.366 432 HA LEU 54 HA LEU 54 1.937 -1.334 -8.611 433 1HB LEU 54 HB2 LEU 54 2.543 -3.911 -9.472 434 2HB LEU 54 HB1 LEU 54 3.959 -2.970 -9.897 435 HG LEU 54 HG LEU 54 4.284 -2.298 -7.617 436 1HD1 LEU 54 1HD1 LEU 54 1.506 -2.981 -7.365 437 2HD1 LEU 54 2HD1 LEU 54 2.537 -2.063 -6.268 438 3HD1 LEU 54 3HD1 LEU 54 2.456 -3.821 -6.139 439 1HD2 LEU 54 1HD2 LEU 54 4.015 -5.133 -8.335 440 2HD2 LEU 54 2HD2 LEU 54 4.143 -4.791 -6.610 441 3HD2 LEU 54 3HD2 LEU 54 5.403 -4.242 -7.714 442 H GLN 55 HN GLN 55 2.657 -1.939 -12.031 443 HA GLN 55 HA GLN 55 4.730 -0.040 -12.265 444 1HB GLN 55 HB2 GLN 55 4.343 -1.772 -13.961 445 2HB GLN 55 HB1 GLN 55 2.790 -1.050 -14.361 446 1HG GLN 55 HG2 GLN 55 4.173 1.065 -14.887 447 2HG GLN 55 HG1 GLN 55 5.543 -0.044 -14.938 448 1HE2 GLN 55 1HE2 GLN 55 4.051 1.579 -17.002 449 2HE2 GLN 55 2HE2 GLN 55 3.700 0.445 -18.258 450 H GLU 56 HN GLU 56 1.277 0.172 -12.208 451 HA GLU 56 HA GLU 56 1.103 2.831 -13.269 452 1HB GLU 56 HB2 GLU 56 -0.699 0.889 -13.065 453 2HB GLU 56 HB1 GLU 56 -1.042 1.695 -11.544 454 1HG GLU 56 HG2 GLU 56 -0.862 3.670 -13.576 455 2HG GLU 56 HG1 GLU 56 -1.921 2.379 -14.143 456 H GLU 57 HN GLU 57 1.576 1.395 -10.121 457 HA GLU 57 HA GLU 57 1.228 4.045 -8.911 458 1HB GLU 57 HB2 GLU 57 0.438 1.426 -8.065 459 2HB GLU 57 HB1 GLU 57 1.508 2.135 -6.862 460 1HG GLU 57 HG2 GLU 57 -0.230 3.253 -6.081 461 2HG GLU 57 HG1 GLU 57 -0.230 4.186 -7.572 462 H VAL 58 HN VAL 58 3.666 2.427 -10.186 463 HA VAL 58 HA VAL 58 5.573 3.481 -8.216 464 HB VAL 58 HB VAL 58 5.979 0.860 -9.668 465 1HG1 VAL 58 1HG1 VAL 58 7.674 0.919 -7.522 466 2HG1 VAL 58 2HG1 VAL 58 7.674 2.601 -8.049 467 3HG1 VAL 58 3HG1 VAL 58 8.113 1.322 -9.181 468 1HG2 VAL 58 1HG2 VAL 58 4.505 1.426 -7.260 469 2HG2 VAL 58 2HG2 VAL 58 5.892 0.389 -6.921 470 3HG2 VAL 58 3HG2 VAL 58 4.700 -0.098 -8.126 471 H GLY 59 HN GLY 59 5.033 2.277 -11.492 472 1HA GLY 59 HA2 GLY 59 5.756 3.042 -13.509 473 2HA GLY 59 HA1 GLY 59 6.184 4.531 -12.712 474 H ILE 60 HN ILE 60 8.100 3.434 -10.966 475 HA ILE 60 HA ILE 60 10.342 3.335 -12.726 476 HB ILE 60 HB ILE 60 11.405 2.736 -10.298 477 1HG1 ILE 60 2HG1 ILE 60 9.377 4.769 -9.521 478 2HG1 ILE 60 1HG1 ILE 60 8.954 3.064 -9.433 479 1HG2 ILE 60 1HG2 ILE 60 10.882 5.598 -10.742 480 2HG2 ILE 60 2HG2 ILE 60 11.634 4.717 -12.073 481 3HG2 ILE 60 3HG2 ILE 60 12.406 4.746 -10.488 482 1HD1 ILE 60 1HD1 ILE 60 9.727 3.598 -7.303 483 2HD1 ILE 60 2HD1 ILE 60 11.089 4.522 -7.936 484 3HD1 ILE 60 3HD1 ILE 60 11.075 2.765 -8.076 485 H THR 61 HN THR 61 12.153 1.688 -11.776 486 HA THR 61 HA THR 61 10.974 -0.982 -12.067 487 HB THR 61 HB THR 61 13.529 -1.343 -12.708 488 HG1 THR 61 HG1 THR 61 13.058 1.321 -13.517 489 1HG2 THR 61 1HG2 THR 61 11.622 -0.056 -14.642 490 2HG2 THR 61 2HG2 THR 61 11.610 -1.769 -14.210 491 3HG2 THR 61 3HG2 THR 61 13.005 -1.079 -15.042 492 HA PRO 62 HA PRO 62 13.066 -1.212 -8.015 493 1HB PRO 62 HB2 PRO 62 10.980 -1.291 -6.448 494 2HB PRO 62 HB1 PRO 62 11.244 0.170 -7.411 495 1HG PRO 62 HG2 PRO 62 9.281 -2.035 -7.826 496 2HG PRO 62 HG1 PRO 62 9.103 -0.300 -8.139 497 1HD PRO 62 HD2 PRO 62 9.894 -2.351 -9.990 498 2HD PRO 62 HD1 PRO 62 9.755 -0.609 -10.277 499 H GLN 63 HN GLN 63 13.683 -3.038 -6.854 500 HA GLN 63 HA GLN 63 12.583 -5.591 -7.650 501 1HB GLN 63 HB2 GLN 63 14.369 -5.142 -5.260 502 2HB GLN 63 HB1 GLN 63 14.222 -6.585 -6.251 503 1HG GLN 63 HG2 GLN 63 15.367 -5.536 -8.066 504 2HG GLN 63 HG1 GLN 63 15.368 -3.985 -7.228 505 1HE2 GLN 63 1HE2 GLN 63 17.308 -6.391 -8.094 506 2HE2 GLN 63 2HE2 GLN 63 18.456 -6.366 -6.804 507 H HIS 64 HN HIS 64 10.459 -5.034 -7.167 508 HA HIS 64 HA HIS 64 9.770 -4.982 -4.310 509 1HB HIS 64 HB2 HIS 64 9.172 -2.892 -5.179 510 2HB HIS 64 HB1 HIS 64 8.745 -3.570 -6.718 511 HD1 HIS 64 HD1 HIS 64 7.157 -5.146 -3.760 512 HD2 HIS 64 HD2 HIS 64 6.280 -2.188 -6.538 513 HE1 HIS 64 HE1 HIS 64 4.689 -4.736 -3.545 514 HE2 HIS 64 HE2 HIS 64 4.219 -2.825 -5.115 515 H PHE 65 HN PHE 65 8.531 -6.559 -3.551 516 HA PHE 65 HA PHE 65 6.428 -7.806 -4.919 517 1HB PHE 65 HB2 PHE 65 8.721 -8.645 -5.988 518 2HB PHE 65 HB1 PHE 65 8.670 -9.736 -4.616 519 HD1 PHE 65 HD1 PHE 65 8.562 -10.445 -7.585 520 HD2 PHE 65 HD2 PHE 65 5.519 -9.830 -4.672 521 HE1 PHE 65 HE1 PHE 65 7.054 -11.916 -8.854 522 HE2 PHE 65 HE2 PHE 65 4.008 -11.303 -5.937 523 HZ PHE 65 HZ PHE 65 4.775 -12.347 -8.032 524 H SER 66 HN SER 66 7.342 -10.454 -3.596 525 HA SER 66 HA SER 66 6.929 -11.583 -1.687 526 1HB SER 66 HB2 SER 66 8.597 -9.301 -0.970 527 2HB SER 66 HB1 SER 66 7.641 -9.896 0.387 528 HG SER 66 HG SER 66 8.462 -12.037 -0.252 529 H LEU 67 HN LEU 67 5.692 -11.657 0.340 530 HA LEU 67 HA LEU 67 3.477 -9.720 0.348 531 1HB LEU 67 HB2 LEU 67 2.663 -11.761 -0.621 532 2HB LEU 67 HB1 LEU 67 3.366 -12.713 0.671 533 HG LEU 67 HG LEU 67 1.407 -10.685 1.537 534 1HD1 LEU 67 1HD1 LEU 67 0.357 -13.177 0.248 535 2HD1 LEU 67 2HD1 LEU 67 0.539 -11.678 -0.664 536 3HD1 LEU 67 3HD1 LEU 67 -0.519 -11.731 0.747 537 1HD2 LEU 67 1HD2 LEU 67 1.038 -13.479 2.282 538 2HD2 LEU 67 2HD2 LEU 67 1.234 -12.050 3.296 539 3HD2 LEU 67 3HD2 LEU 67 2.654 -12.869 2.642 540 H PHE 68 HN PHE 68 3.683 -8.551 2.143 541 HA PHE 68 HA PHE 68 4.952 -9.578 4.505 542 1HB PHE 68 HB2 PHE 68 5.377 -7.373 4.630 543 2HB PHE 68 HB1 PHE 68 4.109 -6.991 3.478 544 HD1 PHE 68 HD1 PHE 68 1.689 -6.952 4.421 545 HD2 PHE 68 HD2 PHE 68 5.187 -6.693 6.824 546 HE1 PHE 68 HE1 PHE 68 0.369 -5.909 6.213 547 HE2 PHE 68 HE2 PHE 68 3.875 -5.652 8.626 548 HZ PHE 68 HZ PHE 68 1.464 -5.254 8.323 549 H GLU 69 HN GLU 69 1.661 -8.734 3.544 550 HA GLU 69 HA GLU 69 0.482 -10.691 5.205 551 1HB GLU 69 HB2 GLU 69 1.189 -8.598 6.722 552 2HB GLU 69 HB1 GLU 69 -0.360 -8.000 6.144 553 1HG GLU 69 HG2 GLU 69 -1.554 -9.593 7.263 554 2HG GLU 69 HG1 GLU 69 -0.225 -10.753 7.251 555 H LYS 70 HN LYS 70 -1.928 -10.558 5.137 556 HA LYS 70 HA LYS 70 -2.969 -8.825 3.032 557 1HB LYS 70 HB2 LYS 70 -4.025 -10.689 1.851 558 2HB LYS 70 HB1 LYS 70 -2.277 -10.870 1.872 559 1HG LYS 70 HG2 LYS 70 -2.618 -12.390 3.884 560 2HG LYS 70 HG1 LYS 70 -4.328 -12.389 3.448 561 1HD LYS 70 HD2 LYS 70 -2.750 -12.891 1.110 562 2HD LYS 70 HD1 LYS 70 -2.259 -13.997 2.395 563 1HE LYS 70 HE2 LYS 70 -4.218 -15.110 2.361 564 2HE LYS 70 HE1 LYS 70 -5.162 -13.647 2.085 565 1HZ LYS 70 HZ1 LYS 70 -3.499 -14.524 -0.129 566 2HZ LYS 70 HZ2 LYS 70 -5.071 -13.901 -0.136 567 3HZ LYS 70 HZ3 LYS 70 -4.808 -15.528 0.247 568 H LEU 71 HN LEU 71 -4.654 -7.841 3.930 569 HA LEU 71 HA LEU 71 -6.255 -9.286 5.918 570 1HB LEU 71 HB2 LEU 71 -5.384 -7.220 6.749 571 2HB LEU 71 HB1 LEU 71 -5.923 -6.349 5.327 572 HG LEU 71 HG LEU 71 -8.303 -7.000 6.082 573 1HD1 LEU 71 1HD1 LEU 71 -8.578 -7.371 8.459 574 2HD1 LEU 71 2HD1 LEU 71 -6.829 -7.360 8.686 575 3HD1 LEU 71 3HD1 LEU 71 -7.588 -8.651 7.755 576 1HD2 LEU 71 1HD2 LEU 71 -7.026 -5.118 8.002 577 2HD2 LEU 71 2HD2 LEU 71 -8.522 -4.951 7.082 578 3HD2 LEU 71 3HD2 LEU 71 -6.964 -4.750 6.279 579 H GLU 72 HN GLU 72 -8.168 -10.059 5.344 580 HA GLU 72 HA GLU 72 -9.599 -8.774 3.119 581 1HB GLU 72 HB2 GLU 72 -8.901 -10.783 2.165 582 2HB GLU 72 HB1 GLU 72 -9.074 -11.674 3.669 583 1HG GLU 72 HG2 GLU 72 -11.358 -11.908 3.421 584 2HG GLU 72 HG1 GLU 72 -11.479 -10.551 2.302 585 H TYR 73 HN TYR 73 -11.286 -7.755 3.976 586 HA TYR 73 HA TYR 73 -13.078 -9.252 5.736 587 1HB TYR 73 HB2 TYR 73 -13.318 -7.406 7.287 588 2HB TYR 73 HB1 TYR 73 -11.621 -7.860 7.190 589 HD1 TYR 73 HD1 TYR 73 -13.752 -5.151 7.366 590 HD2 TYR 73 HD2 TYR 73 -10.336 -6.498 5.215 591 HE1 TYR 73 HE1 TYR 73 -13.168 -2.820 6.845 592 HE2 TYR 73 HE2 TYR 73 -9.744 -4.170 4.689 593 HH TYR 73 HH TYR 73 -10.793 -1.992 4.531 594 H GLU 74 HN GLU 74 -15.259 -8.509 5.701 595 HA GLU 74 HA GLU 74 -15.850 -6.696 3.455 596 1HB GLU 74 HB2 GLU 74 -18.001 -8.051 3.231 597 2HB GLU 74 HB1 GLU 74 -16.516 -8.807 2.674 598 1HG GLU 74 HG2 GLU 74 -16.478 -9.806 5.090 599 2HG GLU 74 HG1 GLU 74 -18.201 -9.446 5.042 600 H PHE 75 HN PHE 75 -16.798 -4.905 4.057 601 HA PHE 75 HA PHE 75 -17.845 -4.486 6.655 602 1HB PHE 75 HB2 PHE 75 -17.382 -2.911 4.214 603 2HB PHE 75 HB1 PHE 75 -18.739 -2.366 5.181 604 HD1 PHE 75 HD1 PHE 75 -15.894 -1.142 4.521 605 HD2 PHE 75 HD2 PHE 75 -17.608 -3.064 7.911 606 HE1 PHE 75 HE1 PHE 75 -14.326 0.056 5.990 607 HE2 PHE 75 HE2 PHE 75 -16.044 -1.868 9.384 608 HZ PHE 75 HZ PHE 75 -14.401 -0.306 8.424 609 HA PRO 76 HA PRO 76 -22.129 -5.467 6.471 610 1HB PRO 76 HB2 PRO 76 -23.336 -2.979 6.884 611 2HB PRO 76 HB1 PRO 76 -22.816 -4.101 8.143 612 1HG PRO 76 HG2 PRO 76 -21.427 -1.699 7.051 613 2HG PRO 76 HG1 PRO 76 -21.479 -2.310 8.716 614 1HD PRO 76 HD2 PRO 76 -19.324 -2.656 7.173 615 2HD PRO 76 HD1 PRO 76 -19.849 -3.921 8.303 616 H ASP 77 HN ASP 77 -21.896 -5.899 4.201 617 HA ASP 77 HA ASP 77 -23.200 -5.909 2.257 618 1HB ASP 77 HB2 ASP 77 -24.579 -3.985 3.367 619 2HB ASP 77 HB1 ASP 77 -23.583 -2.937 2.362 620 H ARG 78 HN ARG 78 -20.328 -4.973 2.979 621 HA ARG 78 HA ARG 78 -19.632 -4.279 0.220 622 1HB ARG 78 HB2 ARG 78 -19.628 -2.218 1.662 623 2HB ARG 78 HB1 ARG 78 -18.355 -2.961 2.617 624 1HG ARG 78 HG2 ARG 78 -17.543 -3.105 -0.081 625 2HG ARG 78 HG1 ARG 78 -18.146 -1.470 0.199 626 1HD ARG 78 HD2 ARG 78 -16.660 -1.913 2.445 627 2HD ARG 78 HD1 ARG 78 -15.744 -2.801 1.228 628 HE ARG 78 HE ARG 78 -16.336 -0.305 0.157 629 1HH1 ARG 78 1HH1 ARG 78 -14.497 -1.617 2.818 630 2HH1 ARG 78 2HH1 ARG 78 -13.340 -0.329 2.818 631 1HH2 ARG 78 1HH2 ARG 78 -14.811 1.392 0.155 632 2HH2 ARG 78 2HH2 ARG 78 -13.518 1.379 1.307 633 H HIS 79 HN HIS 79 -17.635 -5.067 -0.481 634 HA HIS 79 HA HIS 79 -16.293 -6.925 1.372 635 1HB HIS 79 HB2 HIS 79 -17.695 -7.770 -0.745 636 2HB HIS 79 HB1 HIS 79 -16.171 -7.431 -1.558 637 HD1 HIS 79 HD1 HIS 79 -14.683 -8.367 1.288 638 HD2 HIS 79 HD2 HIS 79 -17.132 -10.534 -1.275 639 HE1 HIS 79 HE1 HIS 79 -14.123 -10.783 1.706 640 HE2 HIS 79 HE2 HIS 79 -15.554 -12.070 0.081 641 H ILE 80 HN ILE 80 -14.604 -5.618 1.966 642 HA ILE 80 HA ILE 80 -12.976 -4.437 -0.158 643 HB ILE 80 HB ILE 80 -13.546 -2.798 1.447 644 1HG1 ILE 80 2HG1 ILE 80 -10.923 -3.435 2.642 645 2HG1 ILE 80 1HG1 ILE 80 -10.962 -3.370 0.885 646 1HG2 ILE 80 1HG2 ILE 80 -14.357 -4.135 3.241 647 2HG2 ILE 80 2HG2 ILE 80 -13.070 -3.116 3.882 648 3HG2 ILE 80 3HG2 ILE 80 -12.758 -4.816 3.536 649 1HD1 ILE 80 1HD1 ILE 80 -11.543 -1.195 2.854 650 2HD1 ILE 80 2HD1 ILE 80 -12.102 -1.101 1.185 651 3HD1 ILE 80 3HD1 ILE 80 -10.376 -1.214 1.532 652 H THR 81 HN THR 81 -11.306 -5.589 -0.821 653 HA THR 81 HA THR 81 -9.980 -7.418 1.061 654 HB THR 81 HB THR 81 -9.039 -7.908 -1.545 655 HG1 THR 81 HG1 THR 81 -11.020 -8.252 -2.653 656 1HG2 THR 81 1HG2 THR 81 -10.905 -9.832 -1.232 657 2HG2 THR 81 2HG2 THR 81 -10.668 -9.314 0.438 658 3HG2 THR 81 3HG2 THR 81 -9.294 -9.874 -0.515 659 H LEU 82 HN LEU 82 -8.089 -6.729 1.859 660 HA LEU 82 HA LEU 82 -6.491 -4.876 0.215 661 1HB LEU 82 HB2 LEU 82 -6.767 -5.017 3.215 662 2HB LEU 82 HB1 LEU 82 -5.588 -4.021 2.384 663 HG LEU 82 HG LEU 82 -8.498 -3.701 1.757 664 1HD1 LEU 82 1HD1 LEU 82 -7.871 -3.621 4.315 665 2HD1 LEU 82 2HD1 LEU 82 -8.961 -2.435 3.599 666 3HD1 LEU 82 3HD1 LEU 82 -7.270 -2.021 3.878 667 1HD2 LEU 82 1HD2 LEU 82 -6.665 -1.413 1.984 668 2HD2 LEU 82 2HD2 LEU 82 -7.856 -1.798 0.742 669 3HD2 LEU 82 3HD2 LEU 82 -6.271 -2.572 0.714 670 H TRP 83 HN TRP 83 -4.742 -5.822 -0.568 671 HA TRP 83 HA TRP 83 -3.452 -7.957 0.989 672 1HB TRP 83 HB2 TRP 83 -3.253 -7.265 -1.951 673 2HB TRP 83 HB1 TRP 83 -2.315 -8.529 -1.163 674 HD1 TRP 83 HD1 TRP 83 -6.033 -8.013 -0.397 675 HE1 TRP 83 HE1 TRP 83 -7.332 -10.076 -1.209 676 HE3 TRP 83 HE3 TRP 83 -2.247 -10.451 -2.811 677 HZ2 TRP 83 HZ2 TRP 83 -6.821 -12.432 -2.680 678 HZ3 TRP 83 HZ3 TRP 83 -2.734 -12.606 -3.894 679 HH2 TRP 83 HH2 TRP 83 -4.974 -13.575 -3.829 680 H PHE 84 HN PHE 84 -1.623 -7.488 2.010 681 HA PHE 84 HA PHE 84 -0.171 -5.063 1.221 682 1HB PHE 84 HB2 PHE 84 -0.397 -6.545 3.823 683 2HB PHE 84 HB1 PHE 84 0.957 -5.464 3.529 684 HD1 PHE 84 HD1 PHE 84 0.295 -4.059 5.411 685 HD2 PHE 84 HD2 PHE 84 -2.308 -4.688 2.100 686 HE1 PHE 84 HE1 PHE 84 -1.077 -2.150 6.127 687 HE2 PHE 84 HE2 PHE 84 -3.682 -2.779 2.812 688 HZ PHE 84 HZ PHE 84 -3.067 -1.507 4.828 689 H TRP 85 HN TRP 85 1.456 -5.453 -0.131 690 HA TRP 85 HA TRP 85 2.947 -7.957 0.049 691 1HB TRP 85 HB2 TRP 85 3.123 -5.758 -2.021 692 2HB TRP 85 HB1 TRP 85 3.892 -7.339 -2.117 693 HD1 TRP 85 HD1 TRP 85 0.336 -5.808 -2.055 694 HE1 TRP 85 HE1 TRP 85 -1.228 -7.368 -3.373 695 HE3 TRP 85 HE3 TRP 85 3.624 -9.593 -3.063 696 HZ2 TRP 85 HZ2 TRP 85 -1.087 -9.872 -4.668 697 HZ3 TRP 85 HZ3 TRP 85 2.829 -11.535 -4.345 698 HH2 TRP 85 HH2 TRP 85 0.521 -11.671 -5.131 699 H LEU 86 HN LEU 86 5.230 -8.031 0.285 700 HA LEU 86 HA LEU 86 6.292 -5.671 1.664 701 1HB LEU 86 HB2 LEU 86 6.314 -7.734 2.932 702 2HB LEU 86 HB1 LEU 86 7.226 -8.535 1.670 703 HG LEU 86 HG LEU 86 8.493 -7.783 3.760 704 1HD1 LEU 86 1HD1 LEU 86 9.825 -6.581 1.414 705 2HD1 LEU 86 2HD1 LEU 86 9.314 -8.263 1.266 706 3HD1 LEU 86 3HD1 LEU 86 10.409 -7.786 2.563 707 1HD2 LEU 86 1HD2 LEU 86 8.202 -5.114 2.387 708 2HD2 LEU 86 2HD2 LEU 86 9.281 -5.462 3.737 709 3HD2 LEU 86 3HD2 LEU 86 7.534 -5.558 3.958 710 H VAL 87 HN VAL 87 7.191 -4.358 0.268 711 HA VAL 87 HA VAL 87 8.715 -5.198 -2.028 712 HB VAL 87 HB VAL 87 8.586 -2.457 -0.835 713 1HG1 VAL 87 1HG1 VAL 87 8.601 -2.181 -3.541 714 2HG1 VAL 87 2HG1 VAL 87 9.619 -3.600 -3.308 715 3HG1 VAL 87 3HG1 VAL 87 10.022 -2.088 -2.505 716 1HG2 VAL 87 1HG2 VAL 87 6.491 -4.068 -2.054 717 2HG2 VAL 87 2HG2 VAL 87 6.740 -2.535 -2.898 718 3HG2 VAL 87 3HG2 VAL 87 6.366 -2.541 -1.174 719 H GLU 88 HN GLU 88 10.957 -4.986 -2.330 720 HA GLU 88 HA GLU 88 12.374 -4.591 0.219 721 1HB GLU 88 HB2 GLU 88 13.644 -6.152 -1.980 722 2HB GLU 88 HB1 GLU 88 13.834 -6.311 -0.240 723 1HG GLU 88 HG2 GLU 88 11.610 -7.309 -0.088 724 2HG GLU 88 HG1 GLU 88 11.422 -7.149 -1.834 725 H ARG 89 HN ARG 89 12.293 -3.484 -3.094 726 HA ARG 89 HA ARG 89 14.202 -1.446 -2.428 727 1HB ARG 89 HB2 ARG 89 15.895 -2.970 -2.889 728 2HB ARG 89 HB1 ARG 89 14.980 -3.761 -4.158 729 1HG ARG 89 HG2 ARG 89 16.699 -2.643 -5.263 730 2HG ARG 89 HG1 ARG 89 15.288 -1.614 -5.498 731 1HD ARG 89 HD2 ARG 89 16.623 0.036 -4.771 732 2HD ARG 89 HD1 ARG 89 16.319 -0.632 -3.168 733 HE ARG 89 HE ARG 89 18.484 -1.377 -3.102 734 1HH1 ARG 89 1HH1 ARG 89 17.689 -0.494 -6.383 735 2HH1 ARG 89 2HH1 ARG 89 19.316 -0.656 -6.952 736 1HH2 ARG 89 1HH2 ARG 89 20.624 -1.589 -3.849 737 2HH2 ARG 89 2HH2 ARG 89 20.983 -1.279 -5.514 738 H TRP 90 HN TRP 90 14.517 0.122 -4.172 739 HA TRP 90 HA TRP 90 12.884 -0.086 -6.502 740 1HB TRP 90 HB2 TRP 90 11.180 1.373 -6.037 741 2HB TRP 90 HB1 TRP 90 11.437 0.709 -4.434 742 HD1 TRP 90 HD1 TRP 90 12.595 3.810 -6.473 743 HE1 TRP 90 HE1 TRP 90 12.722 5.801 -4.850 744 HE3 TRP 90 HE3 TRP 90 11.419 1.390 -2.125 745 HZ2 TRP 90 HZ2 TRP 90 12.356 6.288 -2.098 746 HZ3 TRP 90 HZ3 TRP 90 11.321 2.697 -0.041 747 HH2 TRP 90 HH2 TRP 90 11.784 5.094 -0.029 748 H GLU 91 HN GLU 91 13.970 0.786 -8.115 749 HA GLU 91 HA GLU 91 16.279 2.396 -7.621 750 1HB GLU 91 HB2 GLU 91 15.692 0.700 -9.571 751 2HB GLU 91 HB1 GLU 91 15.102 2.161 -10.351 752 1HG GLU 91 HG2 GLU 91 17.524 2.996 -9.489 753 2HG GLU 91 HG1 GLU 91 17.848 1.290 -9.790 754 H GLY 92 HN GLY 92 16.675 4.534 -8.245 755 1HA GLY 92 HA2 GLY 92 16.175 6.767 -8.419 756 2HA GLY 92 HA1 GLY 92 14.899 6.261 -9.515 757 H GLU 93 HN GLU 93 13.085 7.252 -8.947 758 HA GLU 93 HA GLU 93 12.345 7.253 -6.097 759 1HB GLU 93 HB2 GLU 93 12.020 9.410 -8.170 760 2HB GLU 93 HB1 GLU 93 11.009 9.362 -6.733 761 1HG GLU 93 HG2 GLU 93 13.327 9.198 -5.508 762 2HG GLU 93 HG1 GLU 93 13.909 9.943 -6.996 763 HA PRO 94 HA PRO 94 8.659 5.198 -7.464 764 1HB PRO 94 HB2 PRO 94 7.216 6.117 -5.129 765 2HB PRO 94 HB1 PRO 94 7.876 4.514 -5.446 766 1HG PRO 94 HG2 PRO 94 8.839 6.189 -3.519 767 2HG PRO 94 HG1 PRO 94 9.820 4.953 -4.326 768 1HD PRO 94 HD2 PRO 94 9.670 7.898 -4.851 769 2HD PRO 94 HD1 PRO 94 11.091 6.831 -4.810 770 H TRP 95 HN TRP 95 7.143 5.854 -8.904 771 HA TRP 95 HA TRP 95 5.791 8.384 -8.344 772 1HB TRP 95 HB2 TRP 95 5.911 8.956 -10.789 773 2HB TRP 95 HB1 TRP 95 7.426 9.067 -9.909 774 HD1 TRP 95 HD1 TRP 95 9.350 7.343 -10.568 775 HE1 TRP 95 HE1 TRP 95 9.756 5.942 -12.696 776 HE3 TRP 95 HE3 TRP 95 4.640 7.490 -12.537 777 HZ2 TRP 95 HZ2 TRP 95 8.275 5.051 -14.921 778 HZ3 TRP 95 HZ3 TRP 95 4.220 6.350 -14.675 779 HH2 TRP 95 HH2 TRP 95 5.996 5.145 -15.835 780 H GLY 96 HN GLY 96 5.761 5.817 -10.818 781 1HA GLY 96 HA2 GLY 96 3.964 4.813 -11.874 782 2HA GLY 96 HA1 GLY 96 3.369 4.635 -10.235 783 H LYS 97 HN LYS 97 1.702 5.890 -9.515 784 HA LYS 97 HA LYS 97 0.800 8.300 -10.473 785 1HB LYS 97 HB2 LYS 97 0.348 6.277 -12.402 786 2HB LYS 97 HB1 LYS 97 -1.220 6.682 -11.716 787 1HG LYS 97 HG2 LYS 97 -1.131 8.866 -12.460 788 2HG LYS 97 HG1 LYS 97 0.628 8.853 -12.605 789 1HD LYS 97 HD2 LYS 97 0.583 7.923 -14.667 790 2HD LYS 97 HD1 LYS 97 -0.825 6.924 -14.301 791 1HE LYS 97 HE2 LYS 97 -1.867 8.358 -15.697 792 2HE LYS 97 HE1 LYS 97 -1.953 9.368 -14.254 793 1HZ LYS 97 HZ1 LYS 97 0.465 9.602 -15.854 794 2HZ LYS 97 HZ2 LYS 97 -0.423 10.797 -15.054 795 3HZ LYS 97 HZ3 LYS 97 -0.951 10.213 -16.551 796 H GLU 98 HN GLU 98 0.877 6.735 -8.059 797 HA GLU 98 HA GLU 98 -1.610 5.733 -7.260 798 1HB GLU 98 HB2 GLU 98 -0.659 6.751 -4.924 799 2HB GLU 98 HB1 GLU 98 -0.174 5.208 -5.604 800 1HG GLU 98 HG2 GLU 98 1.710 6.600 -4.824 801 2HG GLU 98 HG1 GLU 98 1.816 6.160 -6.523 802 H GLY 99 HN GLY 99 -0.466 9.013 -7.582 803 1HA GLY 99 HA2 GLY 99 -1.882 10.872 -7.841 804 2HA GLY 99 HA1 GLY 99 -3.182 9.960 -7.093 805 H GLN 100 HN GLN 100 -0.401 9.637 -5.245 806 HA GLN 100 HA GLN 100 -0.932 12.050 -3.673 807 1HB GLN 100 HB2 GLN 100 -1.250 9.221 -2.745 808 2HB GLN 100 HB1 GLN 100 -0.722 10.453 -1.607 809 1HG GLN 100 HG2 GLN 100 -2.895 10.773 -1.246 810 2HG GLN 100 HG1 GLN 100 -2.865 11.660 -2.770 811 1HE2 GLN 100 1HE2 GLN 100 -5.220 10.741 -2.140 812 2HE2 GLN 100 2HE2 GLN 100 -5.645 9.330 -3.041 813 HA PRO 101 HA PRO 101 3.584 11.892 -4.382 814 1HB PRO 101 HB2 PRO 101 3.012 14.300 -2.688 815 2HB PRO 101 HB1 PRO 101 4.160 14.126 -4.023 816 1HG PRO 101 HG2 PRO 101 1.848 15.326 -4.440 817 2HG PRO 101 HG1 PRO 101 2.466 14.169 -5.636 818 1HD PRO 101 HD2 PRO 101 0.271 13.851 -3.649 819 2HD PRO 101 HD1 PRO 101 0.438 13.150 -5.272 820 H GLY 102 HN GLY 102 5.134 11.038 -3.081 821 1HA GLY 102 HA2 GLY 102 4.667 11.074 -0.170 822 2HA GLY 102 HA1 GLY 102 5.045 9.569 -0.989 823 H GLU 103 HN GLU 103 6.671 10.051 0.963 824 HA GLU 103 HA GLU 103 9.171 10.817 -0.346 825 1HB GLU 103 HB2 GLU 103 8.186 11.924 2.286 826 2HB GLU 103 HB1 GLU 103 9.871 11.992 1.785 827 1HG GLU 103 HG2 GLU 103 9.346 13.966 0.909 828 2HG GLU 103 HG1 GLU 103 8.585 13.040 -0.383 829 H TRP 104 HN TRP 104 11.079 9.938 0.740 830 HA TRP 104 HA TRP 104 10.623 7.280 1.658 831 1HB TRP 104 HB2 TRP 104 13.277 8.580 2.109 832 2HB TRP 104 HB1 TRP 104 12.910 6.965 1.515 833 HD1 TRP 104 HD1 TRP 104 10.992 8.077 -0.927 834 HE1 TRP 104 HE1 TRP 104 12.171 9.040 -3.002 835 HE3 TRP 104 HE3 TRP 104 15.555 9.108 1.137 836 HZ2 TRP 104 HZ2 TRP 104 14.702 10.097 -3.675 837 HZ3 TRP 104 HZ3 TRP 104 17.300 10.094 -0.291 838 HH2 TRP 104 HH2 TRP 104 16.880 10.577 -2.647 839 H MET 105 HN MET 105 9.729 6.932 3.588 840 HA MET 105 HA MET 105 10.819 8.387 5.908 841 1HB MET 105 HB2 MET 105 8.076 7.173 5.912 842 2HB MET 105 HB1 MET 105 8.716 8.460 6.922 843 1HG MET 105 HG2 MET 105 8.891 9.670 4.555 844 2HG MET 105 HG1 MET 105 7.556 8.572 4.208 845 1HE MET 105 HE1 MET 105 5.314 11.225 4.457 846 2HE MET 105 HE2 MET 105 4.730 9.716 5.161 847 3HE MET 105 HE3 MET 105 5.850 9.678 3.799 848 H SER 106 HN SER 106 10.668 7.167 7.976 849 HA SER 106 HA SER 106 11.690 4.500 7.584 850 1HB SER 106 HB2 SER 106 11.699 4.622 10.205 851 2HB SER 106 HB1 SER 106 12.850 5.585 9.279 852 HG SER 106 HG SER 106 12.020 7.145 10.440 853 H LEU 107 HN LEU 107 10.399 2.807 7.357 854 HA LEU 107 HA LEU 107 7.655 2.866 8.236 855 1HB LEU 107 HB2 LEU 107 8.847 1.673 6.158 856 2HB LEU 107 HB1 LEU 107 8.893 0.340 7.296 857 HG LEU 107 HG LEU 107 6.928 0.230 5.832 858 1HD1 LEU 107 1HD1 LEU 107 6.923 -0.574 8.234 859 2HD1 LEU 107 2HD1 LEU 107 5.347 -0.287 7.497 860 3HD1 LEU 107 3HD1 LEU 107 6.024 0.895 8.618 861 1HD2 LEU 107 1HD2 LEU 107 6.757 2.763 5.650 862 2HD2 LEU 107 2HD2 LEU 107 5.907 2.703 7.194 863 3HD2 LEU 107 3HD2 LEU 107 5.245 1.867 5.790 864 H VAL 108 HN VAL 108 10.667 1.582 9.390 865 HA VAL 108 HA VAL 108 9.870 -0.479 11.039 866 HB VAL 108 HB VAL 108 12.220 0.110 10.671 867 1HG1 VAL 108 1HG1 VAL 108 12.910 1.999 12.497 868 2HG1 VAL 108 2HG1 VAL 108 11.366 2.624 11.917 869 3HG1 VAL 108 3HG1 VAL 108 12.673 2.305 10.777 870 1HG2 VAL 108 1HG2 VAL 108 12.071 0.359 13.600 871 2HG2 VAL 108 2HG2 VAL 108 12.883 -0.847 12.600 872 3HG2 VAL 108 3HG2 VAL 108 11.150 -0.975 12.904 873 H GLY 109 HN GLY 109 9.267 2.910 11.397 874 1HA GLY 109 HA2 GLY 109 8.047 2.362 14.028 875 2HA GLY 109 HA1 GLY 109 8.931 3.846 13.708 876 H LEU 110 HN LEU 110 6.580 2.109 11.691 877 HA LEU 110 HA LEU 110 5.244 4.453 10.885 878 1HB LEU 110 HB2 LEU 110 5.147 2.407 9.577 879 2HB LEU 110 HB1 LEU 110 4.312 1.582 10.880 880 HG LEU 110 HG LEU 110 3.022 4.025 9.791 881 1HD1 LEU 110 1HD1 LEU 110 3.709 2.989 7.741 882 2HD1 LEU 110 2HD1 LEU 110 1.988 2.686 7.975 883 3HD1 LEU 110 3HD1 LEU 110 3.161 1.410 8.302 884 1HD2 LEU 110 1HD2 LEU 110 1.017 2.547 10.104 885 2HD2 LEU 110 2HD2 LEU 110 1.918 2.908 11.575 886 3HD2 LEU 110 3HD2 LEU 110 2.102 1.339 10.792 887 H ASN 111 HN ASN 111 3.173 5.263 11.461 888 HA ASN 111 HA ASN 111 2.352 4.501 14.178 889 1HB ASN 111 HB2 ASN 111 3.064 7.040 13.076 890 2HB ASN 111 HB1 ASN 111 1.378 7.088 13.576 891 1HD2 ASN 111 1HD2 ASN 111 0.901 7.249 15.678 892 2HD2 ASN 111 2HD2 ASN 111 2.063 7.231 16.957 893 H ALA 112 HN ALA 112 0.329 3.961 14.594 894 HA ALA 112 HA ALA 112 -1.482 3.495 12.442 895 1HB ALA 112 HB1 ALA 112 -2.292 3.391 15.325 896 2HB ALA 112 HB2 ALA 112 -1.211 2.173 14.648 897 3HB ALA 112 HB3 ALA 112 -2.829 2.386 13.977 898 H ASP 113 HN ASP 113 -0.810 6.178 14.425 899 HA ASP 113 HA ASP 113 -3.439 7.332 14.414 900 1HB ASP 113 HB2 ASP 113 -1.286 7.728 15.981 901 2HB ASP 113 HB1 ASP 113 -1.075 9.066 14.855 902 H ASP 114 HN ASP 114 -0.395 8.023 12.689 903 HA ASP 114 HA ASP 114 -1.468 10.125 11.128 904 1HB ASP 114 HB2 ASP 114 0.659 8.991 9.668 905 2HB ASP 114 HB1 ASP 114 0.701 10.419 10.687 906 H PHE 115 HN PHE 115 -1.286 6.663 10.679 907 HA PHE 115 HA PHE 115 -2.267 6.835 7.952 908 1HB PHE 115 HB2 PHE 115 -1.471 4.727 7.727 909 2HB PHE 115 HB1 PHE 115 -0.670 5.022 9.270 910 HD1 PHE 115 HD1 PHE 115 -2.775 4.807 11.183 911 HD2 PHE 115 HD2 PHE 115 -2.124 2.516 7.673 912 HE1 PHE 115 HE1 PHE 115 -3.980 2.925 12.207 913 HE2 PHE 115 HE2 PHE 115 -3.331 0.624 8.681 914 HZ PHE 115 HZ PHE 115 -4.259 0.836 10.950 915 HA PRO 116 HA PRO 116 -6.566 6.225 8.767 916 1HB PRO 116 HB2 PRO 116 -7.324 4.013 7.369 917 2HB PRO 116 HB1 PRO 116 -6.969 5.566 6.607 918 1HG PRO 116 HG2 PRO 116 -5.235 3.142 6.868 919 2HG PRO 116 HG1 PRO 116 -5.461 4.213 5.473 920 1HD PRO 116 HD2 PRO 116 -3.308 4.385 7.098 921 2HD PRO 116 HD1 PRO 116 -4.012 5.806 6.300 922 HA PRO 117 HA PRO 117 -6.540 3.451 12.299 923 1HB PRO 117 HB2 PRO 117 -9.065 4.025 13.164 924 2HB PRO 117 HB1 PRO 117 -7.665 5.054 13.481 925 1HG PRO 117 HG2 PRO 117 -9.777 5.325 11.378 926 2HG PRO 117 HG1 PRO 117 -9.048 6.577 12.401 927 1HD PRO 117 HD2 PRO 117 -8.296 6.213 9.841 928 2HD PRO 117 HD1 PRO 117 -7.144 6.712 11.096 929 H ALA 118 HN ALA 118 -8.824 3.407 9.684 930 HA ALA 118 HA ALA 118 -10.267 1.098 10.506 931 1HB ALA 118 HB1 ALA 118 -10.003 2.011 7.665 932 2HB ALA 118 HB2 ALA 118 -10.993 2.883 8.835 933 3HB ALA 118 HB3 ALA 118 -11.364 1.204 8.444 934 H ASN 119 HN ASN 119 -7.131 1.452 9.394 935 HA ASN 119 HA ASN 119 -7.079 -1.318 8.397 936 1HB ASN 119 HB2 ASN 119 -5.900 1.173 7.438 937 2HB ASN 119 HB1 ASN 119 -4.734 -0.145 7.536 938 1HD2 ASN 119 1HD2 ASN 119 -8.180 -0.008 6.719 939 2HD2 ASN 119 2HD2 ASN 119 -8.025 -0.764 5.174 940 H GLU 120 HN GLU 120 -6.893 -0.441 11.192 941 HA GLU 120 HA GLU 120 -4.150 -0.632 11.987 942 1HB GLU 120 HB2 GLU 120 -6.656 -0.010 13.236 943 2HB GLU 120 HB1 GLU 120 -5.791 -1.193 14.207 944 1HG GLU 120 HG2 GLU 120 -4.167 0.256 14.780 945 2HG GLU 120 HG1 GLU 120 -4.202 1.082 13.223 946 HA PRO 121 HA PRO 121 -5.934 -5.135 13.231 947 1HB PRO 121 HB2 PRO 121 -6.772 -5.591 10.400 948 2HB PRO 121 HB1 PRO 121 -7.432 -6.272 11.892 949 1HG PRO 121 HG2 PRO 121 -8.709 -4.315 10.629 950 2HG PRO 121 HG1 PRO 121 -8.622 -4.343 12.400 951 1HD PRO 121 HD2 PRO 121 -7.147 -2.633 10.455 952 2HD PRO 121 HD1 PRO 121 -7.725 -2.246 12.088 953 H VAL 122 HN VAL 122 -4.723 -4.305 9.984 954 HA VAL 122 HA VAL 122 -2.919 -6.535 9.908 955 HB VAL 122 HB VAL 122 -2.550 -4.187 8.103 956 1HG1 VAL 122 1HG1 VAL 122 -2.399 -6.193 6.471 957 2HG1 VAL 122 2HG1 VAL 122 -2.256 -7.158 7.940 958 3HG1 VAL 122 3HG1 VAL 122 -1.075 -5.893 7.597 959 1HG2 VAL 122 1HG2 VAL 122 -5.011 -5.826 8.293 960 2HG2 VAL 122 2HG2 VAL 122 -4.380 -5.497 6.679 961 3HG2 VAL 122 3HG2 VAL 122 -4.794 -4.161 7.753 962 H ILE 123 HN ILE 123 -2.499 -3.014 10.149 963 HA ILE 123 HA ILE 123 0.301 -3.090 10.464 964 HB ILE 123 HB ILE 123 -1.704 -0.973 11.235 965 1HG1 ILE 123 2HG1 ILE 123 -0.816 -1.850 8.738 966 2HG1 ILE 123 1HG1 ILE 123 -1.652 -0.342 9.082 967 1HG2 ILE 123 1HG2 ILE 123 1.301 -0.927 11.284 968 2HG2 ILE 123 2HG2 ILE 123 0.177 -0.540 12.589 969 3HG2 ILE 123 3HG2 ILE 123 0.327 0.541 11.204 970 1HD1 ILE 123 1HD1 ILE 123 1.331 -0.594 9.241 971 2HD1 ILE 123 2HD1 ILE 123 0.354 0.873 9.154 972 3HD1 ILE 123 3HD1 ILE 123 0.484 -0.186 7.748 973 H ALA 124 HN ALA 124 -2.345 -3.235 12.771 974 HA ALA 124 HA ALA 124 -0.984 -2.702 15.129 975 1HB ALA 124 HB1 ALA 124 -3.403 -2.948 15.034 976 2HB ALA 124 HB2 ALA 124 -2.717 -4.022 16.254 977 3HB ALA 124 HB3 ALA 124 -3.230 -4.669 14.695 978 H LYS 125 HN LYS 125 -0.929 -5.533 13.102 979 HA LYS 125 HA LYS 125 0.249 -7.267 15.055 980 1HB LYS 125 HB2 LYS 125 -1.059 -7.858 12.883 981 2HB LYS 125 HB1 LYS 125 0.505 -7.692 12.099 982 1HG LYS 125 HG2 LYS 125 0.338 -9.963 12.557 983 2HG LYS 125 HG1 LYS 125 1.355 -9.343 13.859 984 1HD LYS 125 HD2 LYS 125 -0.136 -10.673 15.018 985 2HD LYS 125 HD1 LYS 125 -0.903 -9.087 15.132 986 1HE LYS 125 HE2 LYS 125 -2.488 -9.618 13.478 987 2HE LYS 125 HE1 LYS 125 -1.570 -11.020 12.932 988 1HZ LYS 125 HZ1 LYS 125 -2.328 -12.298 14.634 989 2HZ LYS 125 HZ2 LYS 125 -3.657 -11.263 14.485 990 3HZ LYS 125 HZ3 LYS 125 -2.513 -10.998 15.701 991 H LEU 126 HN LEU 126 1.573 -5.629 12.171 992 HA LEU 126 HA LEU 126 4.268 -6.352 12.844 993 1HB LEU 126 HB2 LEU 126 3.353 -6.028 10.510 994 2HB LEU 126 HB1 LEU 126 3.391 -4.303 10.825 995 HG LEU 126 HG LEU 126 5.942 -4.998 11.473 996 1HD1 LEU 126 1HD1 LEU 126 5.088 -7.309 10.384 997 2HD1 LEU 126 2HD1 LEU 126 6.757 -6.745 10.311 998 3HD1 LEU 126 3HD1 LEU 126 5.677 -6.480 8.943 999 1HD2 LEU 126 1HD2 LEU 126 5.872 -3.188 10.128 1000 2HD2 LEU 126 2HD2 LEU 126 4.589 -3.853 9.117 1001 3HD2 LEU 126 3HD2 LEU 126 6.256 -4.372 8.878 1002 H LYS 127 HN LYS 127 2.238 -3.530 13.248 1003 HA LYS 127 HA LYS 127 4.113 -1.566 13.774 1004 1HB LYS 127 HB2 LYS 127 1.683 -1.226 13.600 1005 2HB LYS 127 HB1 LYS 127 1.472 -1.952 15.180 1006 1HG LYS 127 HG2 LYS 127 2.517 -0.166 16.268 1007 2HG LYS 127 HG1 LYS 127 3.224 0.445 14.770 1008 1HD LYS 127 HD2 LYS 127 1.389 1.626 14.261 1009 2HD LYS 127 HD1 LYS 127 0.311 0.296 14.689 1010 1HE LYS 127 HE2 LYS 127 1.640 1.612 16.958 1011 2HE LYS 127 HE1 LYS 127 0.507 2.626 16.067 1012 1HZ LYS 127 HZ1 LYS 127 0.000 0.226 17.661 1013 2HZ LYS 127 HZ2 LYS 127 -0.981 0.487 16.309 1014 3HZ LYS 127 HZ3 LYS 127 -0.906 1.651 17.534 1015 H ARG 128 HN ARG 128 2.743 -3.984 15.957 1016 HA ARG 128 HA ARG 128 4.056 -3.063 18.289 1017 1HB ARG 128 HB2 ARG 128 2.121 -4.541 18.421 1018 2HB ARG 128 HB1 ARG 128 3.003 -5.807 17.580 1019 1HG ARG 128 HG2 ARG 128 4.455 -6.144 19.420 1020 2HG ARG 128 HG1 ARG 128 3.882 -4.681 20.224 1021 1HD ARG 128 HD2 ARG 128 2.235 -7.148 19.673 1022 2HD ARG 128 HD1 ARG 128 2.939 -6.710 21.230 1023 HE ARG 128 HE ARG 128 1.305 -4.615 20.246 1024 1HH1 ARG 128 1HH1 ARG 128 1.130 -7.776 21.715 1025 2HH1 ARG 128 2HH1 ARG 128 -0.412 -7.488 22.447 1026 1HH2 ARG 128 1HH2 ARG 128 -0.723 -4.234 21.209 1027 2HH2 ARG 128 2HH2 ARG 128 -1.465 -5.477 22.160 1028 H LEU 129 HN LEU 129 5.203 -4.482 15.473 1029 HA LEU 129 HA LEU 129 7.181 -5.429 14.847 1030 1HB LEU 129 HB2 LEU 129 7.819 -3.513 16.991 1031 2HB LEU 129 HB1 LEU 129 9.070 -4.696 16.663 1032 HG LEU 129 HG LEU 129 9.279 -3.969 14.392 1033 1HD1 LEU 129 1HD1 LEU 129 7.764 -1.776 13.945 1034 2HD1 LEU 129 2HD1 LEU 129 6.657 -2.748 14.915 1035 3HD1 LEU 129 3HD1 LEU 129 7.331 -3.405 13.423 1036 1HD2 LEU 129 1HD2 LEU 129 10.462 -2.128 14.877 1037 2HD2 LEU 129 2HD2 LEU 129 9.964 -2.438 16.539 1038 3HD2 LEU 129 3HD2 LEU 129 9.065 -1.287 15.551 1039 1HO1 MO2 130 1HO1 MO2 130 -4.738 5.651 -8.889 1040 2HO1 MO2 130 2HO1 MO2 130 -5.486 2.385 -12.099 1041 1HO2 MO2 130 1HO2 MO2 130 -4.036 5.790 -10.220 1042 2HO2 MO2 130 2HO2 MO2 130 -6.173 3.626 -11.579 1043 1H5* 8OG 131 1H5* 8OG 131 -12.116 3.590 -3.553 1044 2H5* 8OG 131 2H5* 8OG 131 -11.949 3.944 -1.859 1045 H4* 8OG 131 1H4* 8OG 131 -10.172 2.217 -3.564 1046 H3* 8OG 131 1H3* 8OG 131 -12.478 1.552 -2.060 1047 1H2* 8OG 131 1H2* 8OG 131 -11.651 0.639 -0.193 1048 2H2* 8OG 131 2H2* 8OG 131 -10.610 -0.399 -1.140 1049 H1* 8OG 131 1H1* 8OG 131 -8.830 0.819 -0.643 1050 H1 8OG 131 H1 8OG 131 -6.187 1.345 4.663 1051 H7 8OG 131 H7 8OG 131 -10.794 2.926 3.583 1052 1H2 8OG 131 H21 8OG 131 -4.921 0.093 1.653 1053 2H2 8OG 131 H22 8OG 131 -4.627 0.386 3.335 1054 H3T 8OG 131 *HO1 8OG 131 -12.153 -0.477 -3.081 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -24.673 -6.542 -5.123 2 2H MET 1 HT2 MET 1 -24.461 -6.147 -3.466 3 3H MET 1 HT3 MET 1 -25.466 -7.465 -3.916 4 HA MET 1 HA MET 1 -23.240 -8.044 -3.048 5 1HB MET 1 HB2 MET 1 -24.456 -8.897 -5.639 6 2HB MET 1 HB1 MET 1 -22.895 -9.573 -5.191 7 1HG MET 1 HG2 MET 1 -25.412 -9.713 -3.546 8 2HG MET 1 HG1 MET 1 -24.737 -11.018 -4.519 9 1HE MET 1 HE1 MET 1 -24.113 -12.740 -1.550 10 2HE MET 1 HE2 MET 1 -22.858 -12.946 -2.773 11 3HE MET 1 HE3 MET 1 -24.529 -12.669 -3.263 12 H LYS 2 HN LYS 2 -22.626 -5.446 -3.836 13 HA LYS 2 HA LYS 2 -20.776 -5.425 -6.016 14 1HB LYS 2 HB2 LYS 2 -22.051 -3.425 -5.154 15 2HB LYS 2 HB1 LYS 2 -20.975 -3.423 -3.763 16 1HG LYS 2 HG2 LYS 2 -19.884 -1.920 -5.058 17 2HG LYS 2 HG1 LYS 2 -19.128 -3.395 -5.664 18 1HD LYS 2 HD2 LYS 2 -21.292 -3.267 -7.270 19 2HD LYS 2 HD1 LYS 2 -21.017 -1.549 -6.977 20 1HE LYS 2 HE2 LYS 2 -19.046 -1.533 -8.105 21 2HE LYS 2 HE1 LYS 2 -18.643 -3.185 -7.639 22 1HZ LYS 2 HZ1 LYS 2 -20.479 -3.867 -9.221 23 2HZ LYS 2 HZ2 LYS 2 -19.062 -3.267 -9.923 24 3HZ LYS 2 HZ3 LYS 2 -20.434 -2.283 -9.814 25 H LYS 3 HN LYS 3 -18.526 -5.328 -5.953 26 HA LYS 3 HA LYS 3 -17.231 -5.923 -3.393 27 1HB LYS 3 HB2 LYS 3 -15.914 -7.712 -4.365 28 2HB LYS 3 HB1 LYS 3 -17.626 -8.071 -4.544 29 1HG LYS 3 HG2 LYS 3 -17.585 -7.827 -6.816 30 2HG LYS 3 HG1 LYS 3 -16.225 -6.703 -6.782 31 1HD LYS 3 HD2 LYS 3 -15.246 -8.616 -7.635 32 2HD LYS 3 HD1 LYS 3 -14.892 -8.763 -5.912 33 1HE LYS 3 HE2 LYS 3 -16.675 -10.319 -5.606 34 2HE LYS 3 HE1 LYS 3 -17.280 -10.035 -7.237 35 1HZ LYS 3 HZ1 LYS 3 -15.220 -10.993 -8.105 36 2HZ LYS 3 HZ2 LYS 3 -16.060 -12.098 -7.137 37 3HZ LYS 3 HZ3 LYS 3 -14.692 -11.311 -6.529 38 H LEU 4 HN LEU 4 -15.162 -5.141 -3.175 39 HA LEU 4 HA LEU 4 -13.866 -3.891 -5.466 40 1HB LEU 4 HB2 LEU 4 -13.718 -1.737 -4.516 41 2HB LEU 4 HB1 LEU 4 -15.397 -2.218 -4.361 42 HG LEU 4 HG LEU 4 -14.598 -3.000 -1.962 43 1HD1 LEU 4 1HD1 LEU 4 -12.620 -2.282 -1.270 44 2HD1 LEU 4 2HD1 LEU 4 -12.973 -0.635 -1.787 45 3HD1 LEU 4 3HD1 LEU 4 -12.272 -1.786 -2.925 46 1HD2 LEU 4 1HD2 LEU 4 -15.117 -0.114 -2.666 47 2HD2 LEU 4 2HD2 LEU 4 -15.369 -0.872 -1.094 48 3HD2 LEU 4 3HD2 LEU 4 -16.353 -1.358 -2.474 49 H GLN 5 HN GLN 5 -11.803 -4.521 -5.437 50 HA GLN 5 HA GLN 5 -10.618 -5.340 -2.883 51 1HB GLN 5 HB2 GLN 5 -9.362 -5.831 -5.564 52 2HB GLN 5 HB1 GLN 5 -9.172 -6.743 -4.078 53 1HG GLN 5 HG2 GLN 5 -11.432 -7.612 -4.305 54 2HG GLN 5 HG1 GLN 5 -11.670 -6.644 -5.754 55 1HE2 GLN 5 1HE2 GLN 5 -9.000 -8.685 -4.625 56 2HE2 GLN 5 2HE2 GLN 5 -8.950 -9.693 -6.027 57 H ILE 6 HN ILE 6 -8.453 -4.814 -2.387 58 HA ILE 6 HA ILE 6 -7.194 -2.624 -3.827 59 HB ILE 6 HB ILE 6 -6.772 -1.707 -1.313 60 1HG1 ILE 6 2HG1 ILE 6 -8.485 -3.394 -0.478 61 2HG1 ILE 6 1HG1 ILE 6 -8.737 -1.723 0.009 62 1HG2 ILE 6 1HG2 ILE 6 -9.101 -0.388 -2.210 63 2HG2 ILE 6 2HG2 ILE 6 -8.196 -0.892 -3.635 64 3HG2 ILE 6 3HG2 ILE 6 -7.419 0.101 -2.402 65 1HD1 ILE 6 1HD1 ILE 6 -10.498 -3.480 -1.372 66 2HD1 ILE 6 2HD1 ILE 6 -10.149 -2.088 -2.397 67 3HD1 ILE 6 3HD1 ILE 6 -10.794 -1.849 -0.773 68 H ALA 7 HN ALA 7 -5.113 -3.126 -4.051 69 HA ALA 7 HA ALA 7 -3.851 -4.793 -1.963 70 1HB ALA 7 HB1 ALA 7 -2.353 -5.417 -4.084 71 2HB ALA 7 HB2 ALA 7 -3.870 -5.074 -4.909 72 3HB ALA 7 HB3 ALA 7 -3.811 -6.309 -3.655 73 H VAL 8 HN VAL 8 -2.168 -3.872 -1.000 74 HA VAL 8 HA VAL 8 -0.776 -1.707 -2.428 75 HB VAL 8 HB VAL 8 -0.877 -0.313 -0.679 76 1HG1 VAL 8 1HG1 VAL 8 -2.909 -0.334 0.437 77 2HG1 VAL 8 2HG1 VAL 8 -2.922 -2.090 0.592 78 3HG1 VAL 8 3HG1 VAL 8 -3.229 -1.342 -0.976 79 1HG2 VAL 8 1HG2 VAL 8 -0.465 -2.728 1.063 80 2HG2 VAL 8 2HG2 VAL 8 -0.759 -1.122 1.728 81 3HG2 VAL 8 3HG2 VAL 8 0.664 -1.418 0.722 82 H GLY 9 HN GLY 9 1.420 -1.278 -1.683 83 1HA GLY 9 HA2 GLY 9 2.789 -3.552 -0.466 84 2HA GLY 9 HA1 GLY 9 3.261 -3.092 -2.090 85 H ILE 10 HN ILE 10 4.106 -2.765 1.041 86 HA ILE 10 HA ILE 10 4.787 0.010 1.162 87 HB ILE 10 HB ILE 10 6.549 -1.558 2.826 88 1HG1 ILE 10 2HG1 ILE 10 3.610 -2.267 3.002 89 2HG1 ILE 10 1HG1 ILE 10 4.947 -3.369 2.685 90 1HG2 ILE 10 1HG2 ILE 10 4.935 0.756 2.958 91 2HG2 ILE 10 2HG2 ILE 10 6.161 0.206 4.100 92 3HG2 ILE 10 3HG2 ILE 10 4.480 -0.284 4.308 93 1HD1 ILE 10 1HD1 ILE 10 3.915 -2.346 5.210 94 2HD1 ILE 10 2HD1 ILE 10 5.672 -2.271 5.072 95 3HD1 ILE 10 3HD1 ILE 10 4.836 -3.810 4.864 96 H ILE 11 HN ILE 11 6.117 0.819 -0.341 97 HA ILE 11 HA ILE 11 8.175 -0.692 -1.595 98 HB ILE 11 HB ILE 11 8.143 2.300 -1.633 99 1HG1 ILE 11 2HG1 ILE 11 6.161 0.425 -2.909 100 2HG1 ILE 11 1HG1 ILE 11 5.849 1.903 -2.003 101 1HG2 ILE 11 1HG2 ILE 11 9.372 2.093 -3.512 102 2HG2 ILE 11 2HG2 ILE 11 8.481 0.676 -4.066 103 3HG2 ILE 11 3HG2 ILE 11 9.741 0.501 -2.846 104 1HD1 ILE 11 1HD1 ILE 11 6.731 3.228 -3.837 105 2HD1 ILE 11 2HD1 ILE 11 5.422 2.182 -4.388 106 3HD1 ILE 11 3HD1 ILE 11 7.099 1.755 -4.734 107 H ARG 12 HN ARG 12 10.123 -1.134 -0.879 108 HA ARG 12 HA ARG 12 11.155 0.179 1.481 109 1HB ARG 12 HB2 ARG 12 11.584 -2.340 0.118 110 2HB ARG 12 HB1 ARG 12 13.106 -1.579 0.555 111 1HG ARG 12 HG2 ARG 12 11.275 -1.402 2.746 112 2HG ARG 12 HG1 ARG 12 11.395 -3.069 2.192 113 1HD ARG 12 HD2 ARG 12 13.983 -2.464 2.176 114 2HD ARG 12 HD1 ARG 12 13.455 -1.312 3.402 115 HE ARG 12 HE ARG 12 12.343 -3.698 4.152 116 1HH1 ARG 12 1HH1 ARG 12 15.582 -2.564 3.520 117 2HH1 ARG 12 2HH1 ARG 12 16.319 -3.660 4.640 118 1HH2 ARG 12 1HH2 ARG 12 13.310 -5.139 5.626 119 2HH2 ARG 12 2HH2 ARG 12 15.029 -5.123 5.835 120 H ASN 13 HN ASN 13 12.584 1.716 1.554 121 HA ASN 13 HA ASN 13 13.719 2.790 -0.871 122 1HB ASN 13 HB2 ASN 13 12.788 4.122 1.121 123 2HB ASN 13 HB1 ASN 13 14.330 3.799 1.855 124 1HD2 ASN 13 1HD2 ASN 13 13.838 4.367 -1.568 125 2HD2 ASN 13 2HD2 ASN 13 14.675 5.874 -1.622 126 H GLU 14 HN GLU 14 16.017 3.835 -0.216 127 HA GLU 14 HA GLU 14 17.816 1.578 -0.258 128 1HB GLU 14 HB2 GLU 14 18.133 3.373 -1.849 129 2HB GLU 14 HB1 GLU 14 18.260 4.551 -0.547 130 1HG GLU 14 HG2 GLU 14 20.376 3.798 0.083 131 2HG GLU 14 HG1 GLU 14 20.186 2.266 -0.769 132 H ASN 15 HN ASN 15 16.439 3.057 2.284 133 HA ASN 15 HA ASN 15 18.777 2.553 3.972 134 1HB ASN 15 HB2 ASN 15 18.744 4.976 3.551 135 2HB ASN 15 HB1 ASN 15 17.090 5.057 4.152 136 1HD2 ASN 15 1HD2 ASN 15 20.029 3.435 5.303 137 2HD2 ASN 15 2HD2 ASN 15 19.997 4.129 6.885 138 H ASN 16 HN ASN 16 16.875 0.725 3.799 139 HA ASN 16 HA ASN 16 15.206 -0.430 4.852 140 1HB ASN 16 HB2 ASN 16 15.533 -0.693 7.238 141 2HB ASN 16 HB1 ASN 16 17.102 -0.601 6.445 142 1HD2 ASN 16 1HD2 ASN 16 18.530 0.650 7.387 143 2HD2 ASN 16 2HD2 ASN 16 18.190 1.995 8.417 144 H GLU 17 HN GLU 17 14.582 2.378 4.105 145 HA GLU 17 HA GLU 17 12.360 2.834 5.985 146 1HB GLU 17 HB2 GLU 17 12.420 5.211 5.211 147 2HB GLU 17 HB1 GLU 17 13.863 4.719 6.087 148 1HG GLU 17 HG2 GLU 17 14.943 4.318 3.848 149 2HG GLU 17 HG1 GLU 17 13.545 5.115 3.127 150 H ILE 18 HN ILE 18 10.307 3.195 5.055 151 HA ILE 18 HA ILE 18 10.198 2.554 2.183 152 HB ILE 18 HB ILE 18 8.408 1.754 4.443 153 1HG1 ILE 18 2HG1 ILE 18 9.237 -0.043 2.225 154 2HG1 ILE 18 1HG1 ILE 18 10.474 0.463 3.371 155 1HG2 ILE 18 1HG2 ILE 18 6.615 2.103 3.149 156 2HG2 ILE 18 2HG2 ILE 18 7.177 0.704 2.234 157 3HG2 ILE 18 3HG2 ILE 18 7.592 2.330 1.699 158 1HD1 ILE 18 1HD1 ILE 18 9.341 -1.712 3.874 159 2HD1 ILE 18 2HD1 ILE 18 7.875 -0.790 4.204 160 3HD1 ILE 18 3HD1 ILE 18 9.321 -0.530 5.181 161 H PHE 19 HN PHE 19 9.079 3.787 0.827 162 HA PHE 19 HA PHE 19 8.156 6.361 1.741 163 1HB PHE 19 HB2 PHE 19 9.187 6.678 -0.276 164 2HB PHE 19 HB1 PHE 19 8.771 5.074 -0.862 165 HD1 PHE 19 HD1 PHE 19 7.895 8.570 -0.836 166 HD2 PHE 19 HD2 PHE 19 6.495 4.667 -1.799 167 HE1 PHE 19 HE1 PHE 19 6.145 9.551 -2.263 168 HE2 PHE 19 HE2 PHE 19 4.743 5.643 -3.227 169 HZ PHE 19 HZ PHE 19 4.567 8.087 -3.458 170 H ILE 20 HN ILE 20 6.170 6.664 2.487 171 HA ILE 20 HA ILE 20 3.998 4.979 1.420 172 HB ILE 20 HB ILE 20 3.586 6.333 4.022 173 1HG1 ILE 20 2HG1 ILE 20 5.284 3.835 3.825 174 2HG1 ILE 20 1HG1 ILE 20 5.920 5.437 4.183 175 1HG2 ILE 20 1HG2 ILE 20 1.788 5.048 3.699 176 2HG2 ILE 20 2HG2 ILE 20 2.818 3.734 4.264 177 3HG2 ILE 20 3HG2 ILE 20 2.616 4.014 2.534 178 1HD1 ILE 20 1HD1 ILE 20 4.681 3.514 5.930 179 2HD1 ILE 20 2HD1 ILE 20 3.870 5.078 6.013 180 3HD1 ILE 20 3HD1 ILE 20 5.602 4.967 6.320 181 H THR 21 HN THR 21 2.314 5.971 0.495 182 HA THR 21 HA THR 21 2.401 8.779 0.016 183 HB THR 21 HB THR 21 0.322 8.412 -1.230 184 HG1 THR 21 HG1 THR 21 -0.932 6.873 -0.612 185 1HG2 THR 21 1HG2 THR 21 2.591 6.543 -1.640 186 2HG2 THR 21 2HG2 THR 21 2.004 7.853 -2.664 187 3HG2 THR 21 3HG2 THR 21 1.123 6.326 -2.593 188 H ARG 22 HN ARG 22 1.860 10.246 1.508 189 HA ARG 22 HA ARG 22 -0.120 9.586 3.542 190 1HB ARG 22 HB2 ARG 22 2.152 10.793 3.925 191 2HB ARG 22 HB1 ARG 22 1.316 12.215 3.320 192 1HG ARG 22 HG2 ARG 22 -0.235 10.867 5.350 193 2HG ARG 22 HG1 ARG 22 1.375 11.290 5.935 194 1HD ARG 22 HD2 ARG 22 0.493 13.528 4.514 195 2HD ARG 22 HD1 ARG 22 -0.906 12.986 5.439 196 HE ARG 22 HE ARG 22 0.140 13.677 7.348 197 1HH1 ARG 22 1HH1 ARG 22 2.518 13.416 4.807 198 2HH1 ARG 22 2HH1 ARG 22 3.787 14.124 5.750 199 1HH2 ARG 22 1HH2 ARG 22 1.808 14.609 8.590 200 2HH2 ARG 22 2HH2 ARG 22 3.383 14.801 7.897 201 H ARG 23 HN ARG 23 -1.634 11.504 4.121 202 HA ARG 23 HA ARG 23 -3.222 12.026 1.786 203 1HB ARG 23 HB2 ARG 23 -3.497 12.683 4.704 204 2HB ARG 23 HB1 ARG 23 -4.585 13.391 3.519 205 1HG ARG 23 HG2 ARG 23 -4.235 10.469 3.368 206 2HG ARG 23 HG1 ARG 23 -5.069 11.083 4.796 207 1HD ARG 23 HD2 ARG 23 -6.926 11.305 3.599 208 2HD ARG 23 HD1 ARG 23 -6.106 12.462 2.553 209 HE ARG 23 HE ARG 23 -5.556 9.723 1.888 210 1HH1 ARG 23 1HH1 ARG 23 -7.765 12.386 1.428 211 2HH1 ARG 23 2HH1 ARG 23 -8.366 11.790 -0.082 212 1HH2 ARG 23 1HH2 ARG 23 -6.345 8.937 -0.098 213 2HH2 ARG 23 2HH2 ARG 23 -7.561 9.831 -0.949 214 H ALA 24 HN ALA 24 -0.539 13.229 1.895 215 HA ALA 24 HA ALA 24 0.536 15.139 1.376 216 1HB ALA 24 HB1 ALA 24 -0.625 15.469 -0.551 217 2HB ALA 24 HB2 ALA 24 -1.126 16.922 0.316 218 3HB ALA 24 HB3 ALA 24 -2.188 15.514 0.265 219 H ALA 25 HN ALA 25 -0.887 14.862 4.056 220 HA ALA 25 HA ALA 25 -1.254 16.086 5.940 221 1HB ALA 25 HB1 ALA 25 1.160 16.789 4.981 222 2HB ALA 25 HB2 ALA 25 0.487 17.409 6.489 223 3HB ALA 25 HB3 ALA 25 0.368 18.365 5.011 224 H ASP 26 HN ASP 26 -2.981 16.594 3.541 225 HA ASP 26 HA ASP 26 -4.654 18.542 4.616 226 1HB ASP 26 HB2 ASP 26 -4.325 20.286 2.736 227 2HB ASP 26 HB1 ASP 26 -3.194 20.295 4.086 228 H ALA 27 HN ALA 27 -6.147 16.944 4.065 229 HA ALA 27 HA ALA 27 -7.442 17.259 1.587 230 1HB ALA 27 HB1 ALA 27 -6.405 14.490 1.671 231 2HB ALA 27 HB2 ALA 27 -5.277 15.751 1.173 232 3HB ALA 27 HB3 ALA 27 -6.787 15.520 0.291 233 H HIS 28 HN HIS 28 -8.979 17.543 3.377 234 HA HIS 28 HA HIS 28 -10.810 16.868 4.544 235 1HB HIS 28 HB2 HIS 28 -10.381 14.731 2.578 236 2HB HIS 28 HB1 HIS 28 -11.269 14.212 4.006 237 HD1 HIS 28 HD1 HIS 28 -11.718 17.703 2.782 238 HD2 HIS 28 HD2 HIS 28 -13.644 14.031 2.506 239 HE1 HIS 28 HE1 HIS 28 -13.992 18.207 1.834 240 HE2 HIS 28 HE2 HIS 28 -15.170 15.981 1.757 241 H MET 29 HN MET 29 -9.190 13.714 4.485 242 HA MET 29 HA MET 29 -8.882 13.920 7.408 243 1HB MET 29 HB2 MET 29 -9.615 11.613 5.635 244 2HB MET 29 HB1 MET 29 -8.873 11.324 7.203 245 1HG MET 29 HG2 MET 29 -11.180 11.161 7.559 246 2HG MET 29 HG1 MET 29 -10.719 12.740 8.189 247 1HE MET 29 HE1 MET 29 -13.109 14.313 7.850 248 2HE MET 29 HE2 MET 29 -12.656 15.224 6.409 249 3HE MET 29 HE3 MET 29 -11.426 14.775 7.590 250 H ALA 30 HN ALA 30 -6.807 14.561 7.648 251 HA ALA 30 HA ALA 30 -4.669 13.655 5.998 252 1HB ALA 30 HB1 ALA 30 -4.095 15.665 6.863 253 2HB ALA 30 HB2 ALA 30 -3.365 14.652 8.108 254 3HB ALA 30 HB3 ALA 30 -4.947 15.381 8.381 255 H ASN 31 HN ASN 31 -6.338 12.129 8.482 256 HA ASN 31 HA ASN 31 -4.040 10.607 9.428 257 1HB ASN 31 HB2 ASN 31 -6.628 11.302 10.492 258 2HB ASN 31 HB1 ASN 31 -6.403 9.556 10.550 259 1HD2 ASN 31 1HD2 ASN 31 -6.507 10.046 12.885 260 2HD2 ASN 31 2HD2 ASN 31 -5.033 10.444 13.694 261 H LYS 32 HN LYS 32 -4.931 10.315 6.659 262 HA LYS 32 HA LYS 32 -5.790 7.507 6.717 263 1HB LYS 32 HB2 LYS 32 -6.650 9.749 5.092 264 2HB LYS 32 HB1 LYS 32 -6.119 8.398 4.100 265 1HG LYS 32 HG2 LYS 32 -7.718 6.944 5.061 266 2HG LYS 32 HG1 LYS 32 -8.100 8.099 6.340 267 1HD LYS 32 HD2 LYS 32 -9.473 9.307 5.014 268 2HD LYS 32 HD1 LYS 32 -8.457 9.088 3.588 269 1HE LYS 32 HE2 LYS 32 -9.305 6.800 3.348 270 2HE LYS 32 HE1 LYS 32 -10.329 7.035 4.764 271 1HZ LYS 32 HZ1 LYS 32 -10.666 8.011 2.051 272 2HZ LYS 32 HZ2 LYS 32 -11.070 9.105 3.275 273 3HZ LYS 32 HZ3 LYS 32 -11.831 7.596 3.207 274 H LEU 33 HN LEU 33 -3.096 8.593 6.981 275 HA LEU 33 HA LEU 33 -1.479 8.446 4.773 276 1HB LEU 33 HB2 LEU 33 -0.950 8.842 7.283 277 2HB LEU 33 HB1 LEU 33 -0.706 7.112 7.343 278 HG LEU 33 HG LEU 33 0.863 9.126 5.749 279 1HD1 LEU 33 1HD1 LEU 33 2.721 7.912 7.073 280 2HD1 LEU 33 2HD1 LEU 33 1.402 7.398 8.125 281 3HD1 LEU 33 3HD1 LEU 33 1.725 9.116 7.891 282 1HD2 LEU 33 1HD2 LEU 33 0.776 7.358 4.248 283 2HD2 LEU 33 2HD2 LEU 33 0.736 6.144 5.527 284 3HD2 LEU 33 3HD2 LEU 33 2.232 7.010 5.179 285 H GLU 34 HN GLU 34 -0.950 6.893 3.331 286 HA GLU 34 HA GLU 34 -0.926 4.108 4.086 287 1HB GLU 34 HB2 GLU 34 -3.334 5.032 3.219 288 2HB GLU 34 HB1 GLU 34 -2.608 4.523 1.700 289 1HG GLU 34 HG2 GLU 34 -3.758 2.644 2.403 290 2HG GLU 34 HG1 GLU 34 -2.105 2.318 2.919 291 H PHE 35 HN PHE 35 -0.770 2.833 1.751 292 HA PHE 35 HA PHE 35 1.379 4.224 0.300 293 1HB PHE 35 HB2 PHE 35 1.643 1.386 0.008 294 2HB PHE 35 HB1 PHE 35 2.776 2.531 0.710 295 HD1 PHE 35 HD1 PHE 35 -0.419 0.847 1.667 296 HD2 PHE 35 HD2 PHE 35 3.479 2.081 2.835 297 HE1 PHE 35 HE1 PHE 35 -0.758 -0.189 3.873 298 HE2 PHE 35 HE2 PHE 35 3.148 1.049 5.044 299 HZ PHE 35 HZ PHE 35 1.028 -0.089 5.565 300 HA PRO 36 HA PRO 36 -0.450 3.634 -3.663 301 1HB PRO 36 HB2 PRO 36 1.497 2.104 -4.947 302 2HB PRO 36 HB1 PRO 36 1.469 3.864 -4.856 303 1HG PRO 36 HG2 PRO 36 2.984 1.903 -3.194 304 2HG PRO 36 HG1 PRO 36 3.487 3.494 -3.794 305 1HD PRO 36 HD2 PRO 36 2.767 3.156 -1.248 306 2HD PRO 36 HD1 PRO 36 2.315 4.628 -2.134 307 H GLY 37 HN GLY 37 -1.194 1.912 -5.231 308 1HA GLY 37 HA2 GLY 37 -1.613 -0.421 -5.658 309 2HA GLY 37 HA1 GLY 37 -1.327 -0.729 -3.971 310 H GLY 38 HN GLY 38 -3.438 1.297 -5.863 311 1HA GLY 38 HA2 GLY 38 -5.758 0.210 -4.409 312 2HA GLY 38 HA1 GLY 38 -5.589 1.940 -4.688 313 H LYS 39 HN LYS 39 -7.031 -0.831 -5.826 314 HA LYS 39 HA LYS 39 -8.661 -0.609 -7.570 315 1HB LYS 39 HB2 LYS 39 -7.780 1.564 -8.372 316 2HB LYS 39 HB1 LYS 39 -6.455 0.712 -9.155 317 1HG LYS 39 HG2 LYS 39 -7.693 0.254 -10.927 318 2HG LYS 39 HG1 LYS 39 -8.985 -0.414 -9.930 319 1HD LYS 39 HD2 LYS 39 -8.555 2.526 -10.466 320 2HD LYS 39 HD1 LYS 39 -9.725 1.506 -11.306 321 1HE LYS 39 HE2 LYS 39 -11.130 2.258 -9.712 322 2HE LYS 39 HE1 LYS 39 -10.388 0.983 -8.747 323 1HZ LYS 39 HZ1 LYS 39 -9.318 2.461 -7.461 324 2HZ LYS 39 HZ2 LYS 39 -10.517 3.531 -7.985 325 3HZ LYS 39 HZ3 LYS 39 -9.001 3.531 -8.733 326 H ILE 40 HN ILE 40 -5.957 -2.240 -6.925 327 HA ILE 40 HA ILE 40 -5.188 -3.602 -9.191 328 HB ILE 40 HB ILE 40 -4.312 -5.299 -7.874 329 1HG1 ILE 40 2HG1 ILE 40 -5.818 -4.783 -5.382 330 2HG1 ILE 40 1HG1 ILE 40 -6.769 -5.475 -6.689 331 1HG2 ILE 40 1HG2 ILE 40 -4.405 -3.301 -5.700 332 2HG2 ILE 40 2HG2 ILE 40 -3.799 -2.766 -7.265 333 3HG2 ILE 40 3HG2 ILE 40 -3.026 -4.116 -6.435 334 1HD1 ILE 40 1HD1 ILE 40 -5.774 -7.470 -6.536 335 2HD1 ILE 40 2HD1 ILE 40 -5.376 -6.920 -4.909 336 3HD1 ILE 40 3HD1 ILE 40 -4.187 -6.775 -6.204 337 H GLU 41 HN GLU 41 -8.063 -3.815 -7.375 338 HA GLU 41 HA GLU 41 -9.191 -6.205 -7.895 339 1HB GLU 41 HB2 GLU 41 -11.385 -4.788 -8.182 340 2HB GLU 41 HB1 GLU 41 -10.542 -4.836 -6.648 341 1HG GLU 41 HG2 GLU 41 -10.299 -2.643 -6.662 342 2HG GLU 41 HG1 GLU 41 -9.469 -2.696 -8.207 343 H MET 42 HN MET 42 -10.243 -3.519 -9.941 344 HA MET 42 HA MET 42 -11.175 -3.662 -12.065 345 1HB MET 42 HB2 MET 42 -8.242 -4.297 -12.331 346 2HB MET 42 HB1 MET 42 -9.270 -3.985 -13.723 347 1HG MET 42 HG2 MET 42 -9.046 -2.042 -11.454 348 2HG MET 42 HG1 MET 42 -7.905 -2.049 -12.798 349 1HE MET 42 HE1 MET 42 -10.265 -2.926 -15.204 350 2HE MET 42 HE2 MET 42 -8.712 -2.093 -15.268 351 3HE MET 42 HE3 MET 42 -10.168 -1.289 -15.852 352 H GLY 43 HN GLY 43 -8.784 -6.181 -12.684 353 1HA GLY 43 HA2 GLY 43 -10.593 -8.369 -12.575 354 2HA GLY 43 HA1 GLY 43 -10.438 -7.774 -14.212 355 H GLU 44 HN GLU 44 -7.851 -7.682 -11.910 356 HA GLU 44 HA GLU 44 -6.219 -9.295 -13.690 357 1HB GLU 44 HB2 GLU 44 -5.726 -7.435 -11.444 358 2HB GLU 44 HB1 GLU 44 -4.565 -8.742 -11.630 359 1HG GLU 44 HG2 GLU 44 -3.625 -7.062 -12.887 360 2HG GLU 44 HG1 GLU 44 -4.488 -8.001 -14.104 361 H THR 45 HN THR 45 -4.488 -10.639 -12.179 362 HA THR 45 HA THR 45 -6.169 -12.676 -10.913 363 HB THR 45 HB THR 45 -3.371 -13.389 -11.192 364 HG1 THR 45 HG1 THR 45 -3.269 -13.300 -13.435 365 1HG2 THR 45 1HG2 THR 45 -5.993 -14.501 -11.915 366 2HG2 THR 45 2HG2 THR 45 -4.579 -15.277 -11.201 367 3HG2 THR 45 3HG2 THR 45 -4.638 -14.979 -12.939 368 HA PRO 46 HA PRO 46 -5.030 -11.994 -6.718 369 1HB PRO 46 HB2 PRO 46 -3.759 -14.493 -6.236 370 2HB PRO 46 HB1 PRO 46 -5.424 -14.046 -5.863 371 1HG PRO 46 HG2 PRO 46 -4.345 -15.532 -8.194 372 2HG PRO 46 HG1 PRO 46 -5.923 -15.672 -7.398 373 1HD PRO 46 HD2 PRO 46 -5.683 -14.479 -9.771 374 2HD PRO 46 HD1 PRO 46 -6.797 -13.843 -8.544 375 H GLU 47 HN GLU 47 -2.630 -13.203 -8.968 376 HA GLU 47 HA GLU 47 -0.486 -12.137 -7.274 377 1HB GLU 47 HB2 GLU 47 -0.667 -14.319 -9.241 378 2HB GLU 47 HB1 GLU 47 0.800 -13.358 -9.342 379 1HG GLU 47 HG2 GLU 47 1.383 -13.858 -7.096 380 2HG GLU 47 HG1 GLU 47 -0.191 -14.588 -6.787 381 H GLN 48 HN GLN 48 -1.861 -11.908 -10.533 382 HA GLN 48 HA GLN 48 0.092 -9.970 -11.385 383 1HB GLN 48 HB2 GLN 48 -2.305 -11.265 -12.594 384 2HB GLN 48 HB1 GLN 48 -1.731 -9.761 -13.298 385 1HG GLN 48 HG2 GLN 48 0.071 -10.726 -14.211 386 2HG GLN 48 HG1 GLN 48 0.359 -11.755 -12.808 387 1HE2 GLN 48 1HE2 GLN 48 0.650 -13.659 -13.839 388 2HE2 GLN 48 2HE2 GLN 48 -0.568 -14.456 -14.769 389 H ALA 49 HN ALA 49 -2.718 -9.799 -9.519 390 HA ALA 49 HA ALA 49 -3.859 -7.385 -10.358 391 1HB ALA 49 HB1 ALA 49 -4.734 -9.092 -8.655 392 2HB ALA 49 HB2 ALA 49 -5.052 -7.384 -8.357 393 3HB ALA 49 HB3 ALA 49 -3.763 -8.208 -7.479 394 H VAL 50 HN VAL 50 -1.461 -7.966 -7.789 395 HA VAL 50 HA VAL 50 -1.020 -5.149 -7.417 396 HB VAL 50 HB VAL 50 0.416 -5.684 -5.672 397 1HG1 VAL 50 1HG1 VAL 50 -0.983 -6.815 -4.347 398 2HG1 VAL 50 2HG1 VAL 50 -0.920 -8.261 -5.354 399 3HG1 VAL 50 3HG1 VAL 50 -2.010 -6.940 -5.776 400 1HG2 VAL 50 1HG2 VAL 50 2.019 -7.019 -6.909 401 2HG2 VAL 50 2HG2 VAL 50 0.890 -8.373 -6.956 402 3HG2 VAL 50 3HG2 VAL 50 1.570 -7.844 -5.416 403 H VAL 51 HN VAL 51 0.813 -7.835 -8.839 404 HA VAL 51 HA VAL 51 3.142 -6.468 -9.481 405 HB VAL 51 HB VAL 51 1.886 -8.665 -11.132 406 1HG1 VAL 51 1HG1 VAL 51 4.470 -7.287 -11.179 407 2HG1 VAL 51 2HG1 VAL 51 3.659 -8.223 -12.433 408 3HG1 VAL 51 3HG1 VAL 51 4.585 -9.046 -11.179 409 1HG2 VAL 51 1HG2 VAL 51 3.968 -9.354 -9.178 410 2HG2 VAL 51 2HG2 VAL 51 2.484 -10.206 -9.607 411 3HG2 VAL 51 3HG2 VAL 51 2.429 -8.853 -8.478 412 H ARG 52 HN ARG 52 0.085 -6.662 -11.221 413 HA ARG 52 HA ARG 52 1.099 -5.224 -13.480 414 1HB ARG 52 HB2 ARG 52 -1.716 -5.959 -12.674 415 2HB ARG 52 HB1 ARG 52 -1.314 -5.132 -14.172 416 1HG ARG 52 HG2 ARG 52 0.248 -7.550 -13.781 417 2HG ARG 52 HG1 ARG 52 -1.490 -7.853 -13.808 418 1HD ARG 52 HD2 ARG 52 -0.293 -7.941 -16.041 419 2HD ARG 52 HD1 ARG 52 -1.725 -6.915 -15.956 420 HE ARG 52 HE ARG 52 -0.400 -5.112 -16.400 421 1HH1 ARG 52 1HH1 ARG 52 1.628 -7.726 -15.288 422 2HH1 ARG 52 2HH1 ARG 52 3.106 -6.880 -15.605 423 1HH2 ARG 52 1HH2 ARG 52 1.543 -3.999 -16.819 424 2HH2 ARG 52 2HH2 ARG 52 3.058 -4.765 -16.474 425 H GLU 53 HN GLU 53 -1.043 -4.478 -10.762 426 HA GLU 53 HA GLU 53 -1.456 -1.768 -11.473 427 1HB GLU 53 HB2 GLU 53 -2.730 -3.340 -9.785 428 2HB GLU 53 HB1 GLU 53 -1.586 -2.676 -8.627 429 1HG GLU 53 HG2 GLU 53 -3.291 -1.199 -8.378 430 2HG GLU 53 HG1 GLU 53 -2.383 -0.390 -9.654 431 H LEU 54 HN LEU 54 1.151 -3.429 -9.952 432 HA LEU 54 HA LEU 54 2.264 -1.450 -8.350 433 1HB LEU 54 HB2 LEU 54 3.015 -3.976 -9.257 434 2HB LEU 54 HB1 LEU 54 4.285 -2.913 -9.829 435 HG LEU 54 HG LEU 54 4.627 -2.100 -7.529 436 1HD1 LEU 54 1HD1 LEU 54 2.203 -3.668 -7.075 437 2HD1 LEU 54 2HD1 LEU 54 2.875 -2.320 -6.157 438 3HD1 LEU 54 3HD1 LEU 54 3.479 -3.955 -5.891 439 1HD2 LEU 54 1HD2 LEU 54 6.169 -3.681 -7.405 440 2HD2 LEU 54 2HD2 LEU 54 5.291 -4.619 -8.611 441 3HD2 LEU 54 3HD2 LEU 54 4.958 -4.857 -6.896 442 H GLN 55 HN GLN 55 2.666 -2.045 -11.818 443 HA GLN 55 HA GLN 55 4.522 0.035 -12.279 444 1HB GLN 55 HB2 GLN 55 3.043 -1.871 -13.849 445 2HB GLN 55 HB1 GLN 55 2.922 -0.285 -14.599 446 1HG GLN 55 HG2 GLN 55 4.797 -1.542 -15.488 447 2HG GLN 55 HG1 GLN 55 5.346 -0.099 -14.637 448 1HE2 GLN 55 1HE2 GLN 55 4.386 -3.325 -13.525 449 2HE2 GLN 55 2HE2 GLN 55 5.858 -3.663 -12.685 450 H GLU 56 HN GLU 56 1.044 -0.119 -12.086 451 HA GLU 56 HA GLU 56 0.587 2.552 -13.033 452 1HB GLU 56 HB2 GLU 56 -0.999 0.411 -12.882 453 2HB GLU 56 HB1 GLU 56 -1.426 1.151 -11.350 454 1HG GLU 56 HG2 GLU 56 -1.547 3.264 -13.087 455 2HG GLU 56 HG1 GLU 56 -2.138 1.920 -14.064 456 H GLU 57 HN GLU 57 1.271 1.049 -9.969 457 HA GLU 57 HA GLU 57 0.617 3.564 -8.601 458 1HB GLU 57 HB2 GLU 57 1.104 0.874 -7.332 459 2HB GLU 57 HB1 GLU 57 0.448 2.312 -6.561 460 1HG GLU 57 HG2 GLU 57 -0.944 1.088 -8.901 461 2HG GLU 57 HG1 GLU 57 -1.147 0.416 -7.286 462 H VAL 58 HN VAL 58 3.211 2.311 -10.013 463 HA VAL 58 HA VAL 58 5.034 3.521 -8.058 464 HB VAL 58 HB VAL 58 5.707 1.002 -9.590 465 1HG1 VAL 58 1HG1 VAL 58 7.429 1.251 -7.456 466 2HG1 VAL 58 2HG1 VAL 58 7.240 2.911 -8.019 467 3HG1 VAL 58 3HG1 VAL 58 7.790 1.659 -9.133 468 1HG2 VAL 58 1HG2 VAL 58 5.365 -0.271 -7.671 469 2HG2 VAL 58 2HG2 VAL 58 3.961 0.797 -7.724 470 3HG2 VAL 58 3HG2 VAL 58 5.298 1.149 -6.628 471 H GLY 59 HN GLY 59 4.545 2.349 -11.351 472 1HA GLY 59 HA2 GLY 59 5.095 3.266 -13.361 473 2HA GLY 59 HA1 GLY 59 5.437 4.754 -12.523 474 H ILE 60 HN ILE 60 7.496 3.820 -10.899 475 HA ILE 60 HA ILE 60 9.669 3.902 -12.744 476 HB ILE 60 HB ILE 60 10.891 3.411 -10.389 477 1HG1 ILE 60 2HG1 ILE 60 8.737 5.205 -9.428 478 2HG1 ILE 60 1HG1 ILE 60 8.441 3.471 -9.417 479 1HG2 ILE 60 1HG2 ILE 60 10.036 6.204 -10.718 480 2HG2 ILE 60 2HG2 ILE 60 10.784 5.445 -12.123 481 3HG2 ILE 60 3HG2 ILE 60 11.656 5.519 -10.593 482 1HD1 ILE 60 1HD1 ILE 60 10.639 3.255 -8.174 483 2HD1 ILE 60 2HD1 ILE 60 9.280 3.953 -7.296 484 3HD1 ILE 60 3HD1 ILE 60 10.545 4.999 -7.941 485 H THR 61 HN THR 61 11.640 2.406 -11.844 486 HA THR 61 HA THR 61 10.679 -0.349 -12.137 487 HB THR 61 HB THR 61 13.229 -0.511 -12.822 488 HG1 THR 61 HG1 THR 61 12.599 2.138 -13.561 489 1HG2 THR 61 1HG2 THR 61 12.667 -0.182 -15.147 490 2HG2 THR 61 2HG2 THR 61 11.212 0.707 -14.687 491 3HG2 THR 61 3HG2 THR 61 11.345 -1.017 -14.328 492 HA PRO 62 HA PRO 62 12.826 -0.435 -8.108 493 1HB PRO 62 HB2 PRO 62 10.789 -0.825 -6.520 494 2HB PRO 62 HB1 PRO 62 10.863 0.693 -7.425 495 1HG PRO 62 HG2 PRO 62 9.182 -1.721 -7.923 496 2HG PRO 62 HG1 PRO 62 8.777 -0.009 -8.136 497 1HD PRO 62 HD2 PRO 62 9.751 -1.828 -10.119 498 2HD PRO 62 HD1 PRO 62 9.446 -0.091 -10.290 499 H GLN 63 HN GLN 63 13.690 -2.200 -7.033 500 HA GLN 63 HA GLN 63 12.912 -4.842 -7.907 501 1HB GLN 63 HB2 GLN 63 14.685 -4.220 -5.542 502 2HB GLN 63 HB1 GLN 63 14.689 -5.660 -6.549 503 1HG GLN 63 HG2 GLN 63 15.649 -4.464 -8.377 504 2HG GLN 63 HG1 GLN 63 15.470 -2.929 -7.530 505 1HE2 GLN 63 1HE2 GLN 63 17.872 -3.263 -8.374 506 2HE2 GLN 63 2HE2 GLN 63 18.967 -3.787 -7.145 507 H HIS 64 HN HIS 64 10.742 -4.593 -7.357 508 HA HIS 64 HA HIS 64 10.109 -4.771 -4.489 509 1HB HIS 64 HB2 HIS 64 9.226 -2.741 -5.346 510 2HB HIS 64 HB1 HIS 64 8.759 -3.499 -6.835 511 HD1 HIS 64 HD1 HIS 64 6.894 -1.750 -5.000 512 HD2 HIS 64 HD2 HIS 64 6.886 -5.900 -5.199 513 HE1 HIS 64 HE1 HIS 64 4.595 -2.459 -4.277 514 HE2 HIS 64 HE2 HIS 64 4.644 -4.975 -4.327 515 H PHE 65 HN PHE 65 9.123 -6.577 -3.802 516 HA PHE 65 HA PHE 65 7.231 -8.059 -5.231 517 1HB PHE 65 HB2 PHE 65 9.499 -8.458 -6.484 518 2HB PHE 65 HB1 PHE 65 9.800 -9.544 -5.141 519 HD1 PHE 65 HD1 PHE 65 6.774 -8.786 -7.172 520 HD2 PHE 65 HD2 PHE 65 9.533 -11.734 -5.829 521 HE1 PHE 65 HE1 PHE 65 5.465 -10.525 -8.318 522 HE2 PHE 65 HE2 PHE 65 8.228 -13.480 -6.974 523 HZ PHE 65 HZ PHE 65 6.191 -12.874 -8.222 524 H SER 66 HN SER 66 6.832 -10.232 -4.249 525 HA SER 66 HA SER 66 6.769 -11.741 -2.513 526 1HB SER 66 HB2 SER 66 9.183 -10.669 -1.972 527 2HB SER 66 HB1 SER 66 8.279 -10.064 -0.584 528 HG SER 66 HG SER 66 8.228 -12.783 -1.363 529 H LEU 67 HN LEU 67 5.529 -11.916 -0.545 530 HA LEU 67 HA LEU 67 3.822 -9.577 -0.171 531 1HB LEU 67 HB2 LEU 67 2.061 -10.961 0.090 532 2HB LEU 67 HB1 LEU 67 3.081 -12.067 -0.802 533 HG LEU 67 HG LEU 67 2.138 -13.303 0.982 534 1HD1 LEU 67 1HD1 LEU 67 4.134 -14.267 1.157 535 2HD1 LEU 67 2HD1 LEU 67 4.395 -13.256 2.578 536 3HD1 LEU 67 3HD1 LEU 67 4.976 -12.728 1.002 537 1HD2 LEU 67 1HD2 LEU 67 1.891 -10.943 2.278 538 2HD2 LEU 67 2HD2 LEU 67 3.201 -11.696 3.186 539 3HD2 LEU 67 3HD2 LEU 67 1.652 -12.524 3.025 540 H PHE 68 HN PHE 68 3.087 -9.048 1.965 541 HA PHE 68 HA PHE 68 5.039 -9.771 4.049 542 1HB PHE 68 HB2 PHE 68 5.501 -7.571 4.108 543 2HB PHE 68 HB1 PHE 68 4.141 -7.188 3.062 544 HD1 PHE 68 HD1 PHE 68 5.500 -6.880 6.305 545 HD2 PHE 68 HD2 PHE 68 1.813 -7.102 4.198 546 HE1 PHE 68 HE1 PHE 68 4.354 -5.818 8.199 547 HE2 PHE 68 HE2 PHE 68 0.659 -6.047 6.089 548 HZ PHE 68 HZ PHE 68 1.931 -5.388 8.098 549 H GLU 69 HN GLU 69 1.695 -8.906 3.356 550 HA GLU 69 HA GLU 69 0.624 -10.812 5.141 551 1HB GLU 69 HB2 GLU 69 1.476 -8.679 6.545 552 2HB GLU 69 HB1 GLU 69 -0.123 -8.103 6.096 553 1HG GLU 69 HG2 GLU 69 -0.827 -10.500 6.971 554 2HG GLU 69 HG1 GLU 69 0.663 -10.321 7.896 555 H LYS 70 HN LYS 70 -1.773 -10.681 5.215 556 HA LYS 70 HA LYS 70 -2.948 -8.932 3.192 557 1HB LYS 70 HB2 LYS 70 -4.198 -10.943 2.256 558 2HB LYS 70 HB1 LYS 70 -2.495 -10.819 1.839 559 1HG LYS 70 HG2 LYS 70 -2.175 -12.352 3.932 560 2HG LYS 70 HG1 LYS 70 -3.870 -12.748 3.643 561 1HD LYS 70 HD2 LYS 70 -1.954 -12.819 1.357 562 2HD LYS 70 HD1 LYS 70 -1.951 -14.146 2.519 563 1HE LYS 70 HE2 LYS 70 -4.459 -13.173 1.175 564 2HE LYS 70 HE1 LYS 70 -3.431 -14.421 0.473 565 1HZ LYS 70 HZ1 LYS 70 -4.865 -15.712 1.642 566 2HZ LYS 70 HZ2 LYS 70 -5.155 -14.543 2.830 567 3HZ LYS 70 HZ3 LYS 70 -3.725 -15.445 2.864 568 H LEU 71 HN LEU 71 -4.920 -8.212 3.773 569 HA LEU 71 HA LEU 71 -6.306 -9.605 5.963 570 1HB LEU 71 HB2 LEU 71 -5.306 -7.599 6.833 571 2HB LEU 71 HB1 LEU 71 -5.948 -6.646 5.509 572 HG LEU 71 HG LEU 71 -8.248 -7.573 6.522 573 1HD1 LEU 71 1HD1 LEU 71 -6.359 -7.386 8.863 574 2HD1 LEU 71 2HD1 LEU 71 -7.211 -8.829 8.310 575 3HD1 LEU 71 3HD1 LEU 71 -8.117 -7.471 8.980 576 1HD2 LEU 71 1HD2 LEU 71 -8.603 -5.427 7.339 577 2HD2 LEU 71 2HD2 LEU 71 -7.332 -5.191 6.139 578 3HD2 LEU 71 3HD2 LEU 71 -6.926 -5.240 7.854 579 H GLU 72 HN GLU 72 -8.322 -10.214 5.494 580 HA GLU 72 HA GLU 72 -9.682 -8.902 3.237 581 1HB GLU 72 HB2 GLU 72 -9.238 -11.074 2.492 582 2HB GLU 72 HB1 GLU 72 -9.537 -11.781 4.073 583 1HG GLU 72 HG2 GLU 72 -11.854 -11.629 3.828 584 2HG GLU 72 HG1 GLU 72 -11.726 -10.498 2.483 585 H TYR 73 HN TYR 73 -11.263 -7.649 3.943 586 HA TYR 73 HA TYR 73 -13.155 -8.707 5.906 587 1HB TYR 73 HB2 TYR 73 -13.220 -6.455 7.030 588 2HB TYR 73 HB1 TYR 73 -11.739 -7.366 7.295 589 HD1 TYR 73 HD1 TYR 73 -12.971 -4.207 6.636 590 HD2 TYR 73 HD2 TYR 73 -9.878 -6.846 5.384 591 HE1 TYR 73 HE1 TYR 73 -11.659 -2.287 5.841 592 HE2 TYR 73 HE2 TYR 73 -8.561 -4.933 4.586 593 HH TYR 73 HH TYR 73 -9.197 -2.476 3.762 594 H GLU 74 HN GLU 74 -15.257 -7.723 5.792 595 HA GLU 74 HA GLU 74 -15.692 -6.275 3.263 596 1HB GLU 74 HB2 GLU 74 -18.066 -7.312 3.478 597 2HB GLU 74 HB1 GLU 74 -16.744 -8.295 2.865 598 1HG GLU 74 HG2 GLU 74 -16.465 -9.100 5.267 599 2HG GLU 74 HG1 GLU 74 -18.044 -8.378 5.564 600 H PHE 75 HN PHE 75 -16.977 -4.533 3.223 601 HA PHE 75 HA PHE 75 -17.637 -3.307 5.773 602 1HB PHE 75 HB2 PHE 75 -17.045 -2.401 3.046 603 2HB PHE 75 HB1 PHE 75 -18.375 -1.533 3.795 604 HD1 PHE 75 HD1 PHE 75 -14.872 -2.608 4.426 605 HD2 PHE 75 HD2 PHE 75 -17.927 0.254 5.201 606 HE1 PHE 75 HE1 PHE 75 -13.254 -1.211 5.642 607 HE2 PHE 75 HE2 PHE 75 -16.312 1.654 6.418 608 HZ PHE 75 HZ PHE 75 -13.971 0.922 6.640 609 HA PRO 76 HA PRO 76 -22.011 -3.873 5.787 610 1HB PRO 76 HB2 PRO 76 -22.942 -1.246 5.804 611 2HB PRO 76 HB1 PRO 76 -22.472 -2.179 7.228 612 1HG PRO 76 HG2 PRO 76 -20.914 -0.155 5.687 613 2HG PRO 76 HG1 PRO 76 -20.955 -0.451 7.435 614 1HD PRO 76 HD2 PRO 76 -18.906 -1.284 5.927 615 2HD PRO 76 HD1 PRO 76 -19.499 -2.255 7.288 616 H ASP 77 HN ASP 77 -21.875 -4.687 3.609 617 HA ASP 77 HA ASP 77 -23.092 -4.902 1.654 618 1HB ASP 77 HB2 ASP 77 -23.531 -1.917 1.604 619 2HB ASP 77 HB1 ASP 77 -24.403 -3.155 0.707 620 H ARG 78 HN ARG 78 -20.231 -3.794 2.251 621 HA ARG 78 HA ARG 78 -19.556 -3.464 -0.582 622 1HB ARG 78 HB2 ARG 78 -19.619 -1.232 0.654 623 2HB ARG 78 HB1 ARG 78 -18.234 -1.813 1.569 624 1HG ARG 78 HG2 ARG 78 -16.891 -1.935 -0.394 625 2HG ARG 78 HG1 ARG 78 -18.284 -1.621 -1.431 626 1HD ARG 78 HD2 ARG 78 -17.325 0.463 -1.356 627 2HD ARG 78 HD1 ARG 78 -18.462 0.572 -0.012 628 HE ARG 78 HE ARG 78 -16.212 -0.299 1.186 629 1HH1 ARG 78 1HH1 ARG 78 -16.846 2.354 -0.991 630 2HH1 ARG 78 2HH1 ARG 78 -15.584 3.349 -0.346 631 1HH2 ARG 78 1HH2 ARG 78 -14.552 1.009 2.036 632 2HH2 ARG 78 2HH2 ARG 78 -14.282 2.585 1.372 633 H HIS 79 HN HIS 79 -18.618 -5.447 -0.812 634 HA HIS 79 HA HIS 79 -16.861 -6.533 1.187 635 1HB HIS 79 HB2 HIS 79 -18.334 -7.924 -0.298 636 2HB HIS 79 HB1 HIS 79 -17.284 -7.500 -1.646 637 HD1 HIS 79 HD1 HIS 79 -14.579 -8.086 -0.955 638 HD2 HIS 79 HD2 HIS 79 -17.655 -10.318 0.726 639 HE1 HIS 79 HE1 HIS 79 -13.512 -10.229 -0.189 640 HE2 HIS 79 HE2 HIS 79 -15.409 -11.600 0.744 641 H ILE 80 HN ILE 80 -14.828 -5.876 1.451 642 HA ILE 80 HA ILE 80 -13.345 -5.053 -0.947 643 HB ILE 80 HB ILE 80 -12.144 -3.421 0.249 644 1HG1 ILE 80 2HG1 ILE 80 -13.387 -4.553 2.760 645 2HG1 ILE 80 1HG1 ILE 80 -11.693 -4.649 2.287 646 1HG2 ILE 80 1HG2 ILE 80 -13.792 -1.930 0.290 647 2HG2 ILE 80 2HG2 ILE 80 -14.603 -2.740 1.630 648 3HG2 ILE 80 3HG2 ILE 80 -14.882 -3.281 -0.025 649 1HD1 ILE 80 1HD1 ILE 80 -11.254 -2.667 3.178 650 2HD1 ILE 80 2HD1 ILE 80 -12.856 -2.741 3.912 651 3HD1 ILE 80 3HD1 ILE 80 -12.629 -1.915 2.371 652 H THR 81 HN THR 81 -11.092 -5.472 -1.007 653 HA THR 81 HA THR 81 -10.195 -7.617 0.798 654 HB THR 81 HB THR 81 -8.980 -7.910 -1.774 655 HG1 THR 81 HG1 THR 81 -11.812 -7.901 -1.834 656 1HG2 THR 81 1HG2 THR 81 -10.229 -10.089 -1.762 657 2HG2 THR 81 2HG2 THR 81 -10.907 -9.593 -0.211 658 3HG2 THR 81 3HG2 THR 81 -9.164 -9.802 -0.385 659 H LEU 82 HN LEU 82 -8.429 -6.983 1.865 660 HA LEU 82 HA LEU 82 -6.720 -4.931 0.644 661 1HB LEU 82 HB2 LEU 82 -7.790 -4.443 2.835 662 2HB LEU 82 HB1 LEU 82 -6.886 -5.774 3.533 663 HG LEU 82 HG LEU 82 -4.834 -4.396 2.531 664 1HD1 LEU 82 1HD1 LEU 82 -7.042 -2.400 2.918 665 2HD1 LEU 82 2HD1 LEU 82 -5.973 -2.605 1.531 666 3HD1 LEU 82 3HD1 LEU 82 -5.340 -1.957 3.045 667 1HD2 LEU 82 1HD2 LEU 82 -5.016 -5.055 4.835 668 2HD2 LEU 82 2HD2 LEU 82 -6.274 -3.854 5.124 669 3HD2 LEU 82 3HD2 LEU 82 -4.628 -3.338 4.769 670 H TRP 83 HN TRP 83 -4.937 -5.670 -0.288 671 HA TRP 83 HA TRP 83 -3.594 -8.022 0.880 672 1HB TRP 83 HB2 TRP 83 -3.177 -6.982 -1.923 673 2HB TRP 83 HB1 TRP 83 -2.696 -8.538 -1.270 674 HD1 TRP 83 HD1 TRP 83 -6.110 -8.256 -0.128 675 HE1 TRP 83 HE1 TRP 83 -7.754 -9.384 -1.738 676 HE3 TRP 83 HE3 TRP 83 -3.069 -8.695 -4.211 677 HZ2 TRP 83 HZ2 TRP 83 -7.775 -10.332 -4.391 678 HZ3 TRP 83 HZ3 TRP 83 -3.983 -9.726 -6.248 679 HH2 TRP 83 HH2 TRP 83 -6.287 -10.527 -6.335 680 H PHE 84 HN PHE 84 -1.692 -7.613 1.880 681 HA PHE 84 HA PHE 84 -0.310 -5.111 1.188 682 1HB PHE 84 HB2 PHE 84 -0.541 -6.630 3.760 683 2HB PHE 84 HB1 PHE 84 0.873 -5.624 3.478 684 HD1 PHE 84 HD1 PHE 84 0.167 -4.328 5.498 685 HD2 PHE 84 HD2 PHE 84 -2.216 -4.513 1.971 686 HE1 PHE 84 HE1 PHE 84 -1.100 -2.364 6.250 687 HE2 PHE 84 HE2 PHE 84 -3.481 -2.546 2.722 688 HZ PHE 84 HZ PHE 84 -2.926 -1.470 4.865 689 H TRP 85 HN TRP 85 1.282 -5.458 -0.207 690 HA TRP 85 HA TRP 85 2.786 -7.963 -0.084 691 1HB TRP 85 HB2 TRP 85 2.522 -5.872 -2.240 692 2HB TRP 85 HB1 TRP 85 3.655 -7.219 -2.336 693 HD1 TRP 85 HD1 TRP 85 -0.164 -6.745 -1.804 694 HE1 TRP 85 HE1 TRP 85 -1.373 -8.667 -3.011 695 HE3 TRP 85 HE3 TRP 85 3.908 -9.333 -3.494 696 HZ2 TRP 85 HZ2 TRP 85 -0.694 -10.977 -4.487 697 HZ3 TRP 85 HZ3 TRP 85 3.542 -11.389 -4.796 698 HH2 TRP 85 HH2 TRP 85 1.288 -12.193 -5.280 699 H LEU 86 HN LEU 86 5.036 -8.046 -0.085 700 HA LEU 86 HA LEU 86 6.287 -5.799 1.279 701 1HB LEU 86 HB2 LEU 86 6.551 -7.986 2.268 702 2HB LEU 86 HB1 LEU 86 7.219 -8.620 0.776 703 HG LEU 86 HG LEU 86 9.141 -7.018 1.057 704 1HD1 LEU 86 1HD1 LEU 86 9.374 -6.421 3.608 705 2HD1 LEU 86 2HD1 LEU 86 7.612 -6.438 3.542 706 3HD1 LEU 86 3HD1 LEU 86 8.525 -5.351 2.494 707 1HD2 LEU 86 1HD2 LEU 86 9.013 -8.792 3.451 708 2HD2 LEU 86 2HD2 LEU 86 10.337 -8.524 2.318 709 3HD2 LEU 86 3HD2 LEU 86 8.952 -9.505 1.840 710 H VAL 87 HN VAL 87 7.945 -4.632 0.542 711 HA VAL 87 HA VAL 87 8.963 -5.147 -2.181 712 HB VAL 87 HB VAL 87 8.612 -2.443 -0.941 713 1HG1 VAL 87 1HG1 VAL 87 9.756 -3.449 -3.437 714 2HG1 VAL 87 2HG1 VAL 87 10.071 -1.952 -2.572 715 3HG1 VAL 87 3HG1 VAL 87 8.665 -2.081 -3.627 716 1HG2 VAL 87 1HG2 VAL 87 6.411 -3.247 -1.224 717 2HG2 VAL 87 2HG2 VAL 87 6.822 -4.041 -2.748 718 3HG2 VAL 87 3HG2 VAL 87 6.727 -2.277 -2.664 719 H GLU 88 HN GLU 88 11.177 -4.726 -2.531 720 HA GLU 88 HA GLU 88 12.602 -4.309 0.000 721 1HB GLU 88 HB2 GLU 88 12.975 -6.527 -0.855 722 2HB GLU 88 HB1 GLU 88 13.447 -5.890 -2.423 723 1HG GLU 88 HG2 GLU 88 15.420 -4.869 -1.426 724 2HG GLU 88 HG1 GLU 88 14.943 -5.482 0.156 725 H ARG 89 HN ARG 89 12.399 -3.074 -3.288 726 HA ARG 89 HA ARG 89 14.037 -0.851 -2.508 727 1HB ARG 89 HB2 ARG 89 15.938 -2.052 -2.980 728 2HB ARG 89 HB1 ARG 89 15.152 -3.033 -4.200 729 1HG ARG 89 HG2 ARG 89 16.640 -1.753 -5.418 730 2HG ARG 89 HG1 ARG 89 15.126 -0.874 -5.613 731 1HD ARG 89 HD2 ARG 89 16.038 0.948 -4.726 732 2HD ARG 89 HD1 ARG 89 16.452 0.060 -3.260 733 HE ARG 89 HE ARG 89 18.199 0.697 -5.477 734 1HH1 ARG 89 1HH1 ARG 89 17.713 -1.276 -2.636 735 2HH1 ARG 89 2HH1 ARG 89 19.397 -1.619 -2.436 736 1HH2 ARG 89 1HH2 ARG 89 20.412 0.245 -5.211 737 2HH2 ARG 89 2HH2 ARG 89 20.930 -0.756 -3.896 738 H TRP 90 HN TRP 90 14.196 0.813 -4.173 739 HA TRP 90 HA TRP 90 12.587 0.493 -6.528 740 1HB TRP 90 HB2 TRP 90 10.823 1.894 -6.042 741 2HB TRP 90 HB1 TRP 90 11.088 1.140 -4.479 742 HD1 TRP 90 HD1 TRP 90 12.079 4.418 -6.310 743 HE1 TRP 90 HE1 TRP 90 12.136 6.303 -4.560 744 HE3 TRP 90 HE3 TRP 90 11.110 1.658 -2.117 745 HZ2 TRP 90 HZ2 TRP 90 11.801 6.583 -1.776 746 HZ3 TRP 90 HZ3 TRP 90 10.988 2.817 0.052 747 HH2 TRP 90 HH2 TRP 90 11.331 5.228 0.217 748 H GLU 91 HN GLU 91 13.532 1.502 -8.162 749 HA GLU 91 HA GLU 91 15.763 3.224 -7.699 750 1HB GLU 91 HB2 GLU 91 14.355 2.167 -10.116 751 2HB GLU 91 HB1 GLU 91 15.482 3.504 -10.299 752 1HG GLU 91 HG2 GLU 91 16.965 1.808 -8.811 753 2HG GLU 91 HG1 GLU 91 15.983 0.669 -9.730 754 H GLY 92 HN GLY 92 15.999 5.408 -8.143 755 1HA GLY 92 HA2 GLY 92 15.352 7.611 -8.152 756 2HA GLY 92 HA1 GLY 92 14.150 7.106 -9.329 757 H GLU 93 HN GLU 93 12.258 7.941 -8.761 758 HA GLU 93 HA GLU 93 11.435 7.703 -5.943 759 1HB GLU 93 HB2 GLU 93 11.847 10.047 -6.570 760 2HB GLU 93 HB1 GLU 93 10.699 9.895 -7.892 761 1HG GLU 93 HG2 GLU 93 8.876 9.650 -6.396 762 2HG GLU 93 HG1 GLU 93 9.955 9.471 -5.012 763 HA PRO 94 HA PRO 94 8.011 5.402 -7.594 764 1HB PRO 94 HB2 PRO 94 6.535 5.858 -5.139 765 2HB PRO 94 HB1 PRO 94 7.325 4.379 -5.690 766 1HG PRO 94 HG2 PRO 94 8.201 5.823 -3.558 767 2HG PRO 94 HG1 PRO 94 9.276 4.854 -4.581 768 1HD PRO 94 HD2 PRO 94 8.757 7.809 -4.645 769 2HD PRO 94 HD1 PRO 94 10.301 6.935 -4.759 770 H TRP 95 HN TRP 95 6.425 6.046 -8.919 771 HA TRP 95 HA TRP 95 4.842 8.373 -8.100 772 1HB TRP 95 HB2 TRP 95 4.785 9.050 -10.539 773 2HB TRP 95 HB1 TRP 95 6.312 9.293 -9.706 774 HD1 TRP 95 HD1 TRP 95 8.380 7.813 -10.495 775 HE1 TRP 95 HE1 TRP 95 8.849 6.504 -12.668 776 HE3 TRP 95 HE3 TRP 95 3.606 7.489 -12.276 777 HZ2 TRP 95 HZ2 TRP 95 7.380 5.498 -14.852 778 HZ3 TRP 95 HZ3 TRP 95 3.223 6.347 -14.419 779 HH2 TRP 95 HH2 TRP 95 5.069 5.360 -15.674 780 H GLY 96 HN GLY 96 4.980 5.887 -10.632 781 1HA GLY 96 HA2 GLY 96 3.283 4.716 -11.676 782 2HA GLY 96 HA1 GLY 96 2.728 4.463 -10.033 783 H LYS 97 HN LYS 97 0.998 5.608 -9.247 784 HA LYS 97 HA LYS 97 -0.159 7.876 -10.382 785 1HB LYS 97 HB2 LYS 97 -0.537 5.773 -12.081 786 2HB LYS 97 HB1 LYS 97 -1.996 5.691 -11.105 787 1HG LYS 97 HG2 LYS 97 -1.046 8.164 -12.534 788 2HG LYS 97 HG1 LYS 97 -2.238 7.031 -13.174 789 1HD LYS 97 HD2 LYS 97 -2.551 8.417 -10.518 790 2HD LYS 97 HD1 LYS 97 -3.165 9.088 -12.031 791 1HE LYS 97 HE2 LYS 97 -4.456 6.986 -12.362 792 2HE LYS 97 HE1 LYS 97 -3.933 6.463 -10.762 793 1HZ LYS 97 HZ1 LYS 97 -6.022 7.410 -10.431 794 2HZ LYS 97 HZ2 LYS 97 -5.716 8.714 -11.465 795 3HZ LYS 97 HZ3 LYS 97 -4.951 8.632 -9.959 796 H GLU 98 HN GLU 98 0.353 6.645 -7.817 797 HA GLU 98 HA GLU 98 -2.059 5.727 -6.640 798 1HB GLU 98 HB2 GLU 98 -0.741 6.594 -4.487 799 2HB GLU 98 HB1 GLU 98 -0.316 5.106 -5.313 800 1HG GLU 98 HG2 GLU 98 1.603 6.579 -4.698 801 2HG GLU 98 HG1 GLU 98 1.527 6.116 -6.392 802 H GLY 99 HN GLY 99 -0.840 8.867 -7.407 803 1HA GLY 99 HA2 GLY 99 -1.842 10.928 -7.304 804 2HA GLY 99 HA1 GLY 99 -3.319 10.110 -6.832 805 H GLN 100 HN GLN 100 -0.510 9.607 -4.876 806 HA GLN 100 HA GLN 100 -1.339 11.697 -3.003 807 1HB GLN 100 HB2 GLN 100 -1.249 8.748 -2.417 808 2HB GLN 100 HB1 GLN 100 -1.066 9.943 -1.140 809 1HG GLN 100 HG2 GLN 100 -3.243 10.444 -1.122 810 2HG GLN 100 HG1 GLN 100 -3.371 10.395 -2.880 811 1HE2 GLN 100 1HE2 GLN 100 -5.468 9.393 -2.095 812 2HE2 GLN 100 2HE2 GLN 100 -5.483 7.673 -1.936 813 HA PRO 101 HA PRO 101 3.182 12.110 -3.619 814 1HB PRO 101 HB2 PRO 101 2.319 14.235 -1.686 815 2HB PRO 101 HB1 PRO 101 3.502 14.338 -2.998 816 1HG PRO 101 HG2 PRO 101 1.080 15.322 -3.348 817 2HG PRO 101 HG1 PRO 101 1.842 14.379 -4.645 818 1HD PRO 101 HD2 PRO 101 -0.339 13.606 -2.771 819 2HD PRO 101 HD1 PRO 101 -0.067 13.114 -4.454 820 H GLY 102 HN GLY 102 4.730 11.151 -2.417 821 1HA GLY 102 HA2 GLY 102 4.297 10.920 0.491 822 2HA GLY 102 HA1 GLY 102 4.725 9.505 -0.456 823 H GLU 103 HN GLU 103 6.358 9.892 1.516 824 HA GLU 103 HA GLU 103 8.803 10.869 0.246 825 1HB GLU 103 HB2 GLU 103 9.511 12.053 2.259 826 2HB GLU 103 HB1 GLU 103 8.005 12.724 1.650 827 1HG GLU 103 HG2 GLU 103 7.906 10.619 3.752 828 2HG GLU 103 HG1 GLU 103 8.341 12.268 4.199 829 H TRP 104 HN TRP 104 10.762 9.993 1.241 830 HA TRP 104 HA TRP 104 10.428 7.256 1.957 831 1HB TRP 104 HB2 TRP 104 13.038 8.596 2.497 832 2HB TRP 104 HB1 TRP 104 12.713 7.045 1.733 833 HD1 TRP 104 HD1 TRP 104 10.774 8.274 -0.592 834 HE1 TRP 104 HE1 TRP 104 11.890 9.524 -2.547 835 HE3 TRP 104 HE3 TRP 104 15.244 9.409 1.616 836 HZ2 TRP 104 HZ2 TRP 104 14.342 10.818 -3.081 837 HZ3 TRP 104 HZ3 TRP 104 16.919 10.654 0.314 838 HH2 TRP 104 HH2 TRP 104 16.476 11.344 -1.986 839 H MET 105 HN MET 105 9.569 6.734 3.863 840 HA MET 105 HA MET 105 10.639 8.053 6.271 841 1HB MET 105 HB2 MET 105 8.395 7.352 7.307 842 2HB MET 105 HB1 MET 105 8.398 8.723 6.205 843 1HG MET 105 HG2 MET 105 7.696 7.154 4.390 844 2HG MET 105 HG1 MET 105 7.503 5.912 5.627 845 1HE MET 105 HE1 MET 105 6.514 7.926 8.030 846 2HE MET 105 HE2 MET 105 5.869 6.302 7.786 847 3HE MET 105 HE3 MET 105 4.772 7.676 7.919 848 H SER 106 HN SER 106 10.857 6.748 8.169 849 HA SER 106 HA SER 106 11.791 4.104 7.584 850 1HB SER 106 HB2 SER 106 12.433 4.010 9.919 851 2HB SER 106 HB1 SER 106 12.853 5.600 9.281 852 HG SER 106 HG SER 106 11.369 6.506 10.510 853 H LEU 107 HN LEU 107 10.490 2.412 7.362 854 HA LEU 107 HA LEU 107 7.793 2.401 8.264 855 1HB LEU 107 HB2 LEU 107 9.082 1.081 6.324 856 2HB LEU 107 HB1 LEU 107 9.120 -0.156 7.565 857 HG LEU 107 HG LEU 107 7.207 -0.410 6.033 858 1HD1 LEU 107 1HD1 LEU 107 5.718 -1.043 7.666 859 2HD1 LEU 107 2HD1 LEU 107 6.045 0.373 8.665 860 3HD1 LEU 107 3HD1 LEU 107 7.219 -0.942 8.587 861 1HD2 LEU 107 1HD2 LEU 107 5.559 1.176 5.741 862 2HD2 LEU 107 2HD2 LEU 107 7.006 2.181 5.841 863 3HD2 LEU 107 3HD2 LEU 107 5.950 2.013 7.244 864 H VAL 108 HN VAL 108 10.787 1.428 9.674 865 HA VAL 108 HA VAL 108 9.942 -0.540 11.464 866 HB VAL 108 HB VAL 108 12.306 -0.020 11.082 867 1HG1 VAL 108 1HG1 VAL 108 12.993 2.039 12.713 868 2HG1 VAL 108 2HG1 VAL 108 11.467 2.619 12.047 869 3HG1 VAL 108 3HG1 VAL 108 12.785 2.170 10.966 870 1HG2 VAL 108 1HG2 VAL 108 11.671 -1.221 13.109 871 2HG2 VAL 108 2HG2 VAL 108 11.477 0.309 13.965 872 3HG2 VAL 108 3HG2 VAL 108 13.072 -0.190 13.400 873 H GLY 109 HN GLY 109 9.250 2.821 11.404 874 1HA GLY 109 HA2 GLY 109 8.114 2.615 14.122 875 2HA GLY 109 HA1 GLY 109 8.882 4.082 13.537 876 H LEU 110 HN LEU 110 6.631 1.891 11.901 877 HA LEU 110 HA LEU 110 5.106 3.961 10.763 878 1HB LEU 110 HB2 LEU 110 5.324 1.396 10.216 879 2HB LEU 110 HB1 LEU 110 3.948 1.257 11.290 880 HG LEU 110 HG LEU 110 2.572 2.561 9.848 881 1HD1 LEU 110 1HD1 LEU 110 3.839 4.338 9.086 882 2HD1 LEU 110 2HD1 LEU 110 3.653 3.362 7.629 883 3HD1 LEU 110 3HD1 LEU 110 5.159 3.301 8.545 884 1HD2 LEU 110 1HD2 LEU 110 2.488 1.196 7.917 885 2HD2 LEU 110 2HD2 LEU 110 3.086 0.176 9.227 886 3HD2 LEU 110 3HD2 LEU 110 4.206 0.816 8.025 887 H ASN 111 HN ASN 111 2.997 4.727 11.278 888 HA ASN 111 HA ASN 111 2.204 4.232 14.061 889 1HB ASN 111 HB2 ASN 111 3.008 6.671 12.844 890 2HB ASN 111 HB1 ASN 111 1.303 6.800 13.258 891 1HD2 ASN 111 1HD2 ASN 111 0.919 7.562 15.196 892 2HD2 ASN 111 2HD2 ASN 111 1.949 7.419 16.576 893 H ALA 112 HN ALA 112 0.245 3.568 14.426 894 HA ALA 112 HA ALA 112 -1.613 3.173 12.298 895 1HB ALA 112 HB1 ALA 112 -3.075 2.212 13.995 896 2HB ALA 112 HB2 ALA 112 -2.028 2.839 15.272 897 3HB ALA 112 HB3 ALA 112 -1.431 1.596 14.173 898 H ASP 113 HN ASP 113 -0.915 5.787 14.363 899 HA ASP 113 HA ASP 113 -3.561 6.885 14.517 900 1HB ASP 113 HB2 ASP 113 -1.399 7.270 16.025 901 2HB ASP 113 HB1 ASP 113 -1.162 8.608 14.905 902 H ASP 114 HN ASP 114 -0.627 7.729 12.660 903 HA ASP 114 HA ASP 114 -1.848 9.849 11.235 904 1HB ASP 114 HB2 ASP 114 0.228 8.772 9.631 905 2HB ASP 114 HB1 ASP 114 0.260 10.222 10.615 906 H PHE 115 HN PHE 115 -1.438 6.426 10.568 907 HA PHE 115 HA PHE 115 -2.579 6.602 7.933 908 1HB PHE 115 HB2 PHE 115 -1.787 4.489 7.696 909 2HB PHE 115 HB1 PHE 115 -0.951 4.793 9.220 910 HD1 PHE 115 HD1 PHE 115 -3.074 4.630 11.150 911 HD2 PHE 115 HD2 PHE 115 -2.386 2.247 7.711 912 HE1 PHE 115 HE1 PHE 115 -4.268 2.767 12.222 913 HE2 PHE 115 HE2 PHE 115 -3.579 0.377 8.766 914 HZ PHE 115 HZ PHE 115 -4.523 0.640 11.024 915 HA PRO 116 HA PRO 116 -6.844 5.914 8.924 916 1HB PRO 116 HB2 PRO 116 -7.679 3.892 7.340 917 2HB PRO 116 HB1 PRO 116 -7.244 5.478 6.693 918 1HG PRO 116 HG2 PRO 116 -5.630 2.958 6.773 919 2HG PRO 116 HG1 PRO 116 -5.813 4.127 5.453 920 1HD PRO 116 HD2 PRO 116 -3.657 4.082 7.113 921 2HD PRO 116 HD1 PRO 116 -4.256 5.564 6.345 922 HA PRO 117 HA PRO 117 -6.675 2.844 12.204 923 1HB PRO 117 HB2 PRO 117 -9.254 3.212 13.076 924 2HB PRO 117 HB1 PRO 117 -7.888 4.231 13.543 925 1HG PRO 117 HG2 PRO 117 -9.971 4.698 11.447 926 2HG PRO 117 HG1 PRO 117 -9.281 5.841 12.614 927 1HD PRO 117 HD2 PRO 117 -8.490 5.803 10.050 928 2HD PRO 117 HD1 PRO 117 -7.348 6.137 11.369 929 H ALA 118 HN ALA 118 -8.794 2.830 9.493 930 HA ALA 118 HA ALA 118 -10.248 0.474 10.122 931 1HB ALA 118 HB1 ALA 118 -9.767 1.932 7.543 932 2HB ALA 118 HB2 ALA 118 -11.217 1.939 8.547 933 3HB ALA 118 HB3 ALA 118 -10.769 0.485 7.656 934 H ASN 119 HN ASN 119 -7.024 0.895 9.302 935 HA ASN 119 HA ASN 119 -6.846 -1.884 8.334 936 1HB ASN 119 HB2 ASN 119 -5.709 0.621 7.332 937 2HB ASN 119 HB1 ASN 119 -4.526 -0.673 7.488 938 1HD2 ASN 119 1HD2 ASN 119 -7.942 -1.061 6.749 939 2HD2 ASN 119 2HD2 ASN 119 -7.713 -1.671 5.150 940 H GLU 120 HN GLU 120 -6.770 -0.961 11.109 941 HA GLU 120 HA GLU 120 -4.061 -0.919 11.990 942 1HB GLU 120 HB2 GLU 120 -6.646 -0.573 13.164 943 2HB GLU 120 HB1 GLU 120 -5.718 -1.704 14.139 944 1HG GLU 120 HG2 GLU 120 -3.846 0.013 14.057 945 2HG GLU 120 HG1 GLU 120 -5.059 1.134 13.438 946 HA PRO 121 HA PRO 121 -5.311 -5.588 13.184 947 1HB PRO 121 HB2 PRO 121 -6.300 -6.144 10.424 948 2HB PRO 121 HB1 PRO 121 -6.807 -6.848 11.964 949 1HG PRO 121 HG2 PRO 121 -8.317 -5.026 10.749 950 2HG PRO 121 HG1 PRO 121 -8.131 -5.021 12.513 951 1HD PRO 121 HD2 PRO 121 -6.903 -3.226 10.472 952 2HD PRO 121 HD1 PRO 121 -7.443 -2.859 12.122 953 H VAL 122 HN VAL 122 -4.469 -4.693 9.837 954 HA VAL 122 HA VAL 122 -2.424 -6.700 9.654 955 HB VAL 122 HB VAL 122 -2.435 -4.394 7.771 956 1HG1 VAL 122 1HG1 VAL 122 -0.937 -6.447 7.662 957 2HG1 VAL 122 2HG1 VAL 122 -1.787 -5.997 6.183 958 3HG1 VAL 122 3HG1 VAL 122 -2.379 -7.334 7.168 959 1HG2 VAL 122 1HG2 VAL 122 -4.697 -4.537 7.619 960 2HG2 VAL 122 2HG2 VAL 122 -4.743 -6.199 8.210 961 3HG2 VAL 122 3HG2 VAL 122 -4.278 -5.869 6.541 962 H ILE 123 HN ILE 123 -2.438 -3.156 9.794 963 HA ILE 123 HA ILE 123 0.343 -2.820 9.861 964 HB ILE 123 HB ILE 123 -1.954 -1.083 10.702 965 1HG1 ILE 123 2HG1 ILE 123 -1.025 -1.616 8.266 966 2HG1 ILE 123 1HG1 ILE 123 -1.626 -0.021 8.694 967 1HG2 ILE 123 1HG2 ILE 123 0.977 -0.467 11.012 968 2HG2 ILE 123 2HG2 ILE 123 -0.258 -0.482 12.272 969 3HG2 ILE 123 3HG2 ILE 123 -0.291 0.758 11.020 970 1HD1 ILE 123 1HD1 ILE 123 0.656 0.732 9.104 971 2HD1 ILE 123 2HD1 ILE 123 0.448 0.129 7.456 972 3HD1 ILE 123 3HD1 ILE 123 1.256 -0.871 8.665 973 H ALA 124 HN ALA 124 -1.983 -3.489 12.394 974 HA ALA 124 HA ALA 124 -0.516 -2.782 14.644 975 1HB ALA 124 HB1 ALA 124 -1.827 -4.560 15.815 976 2HB ALA 124 HB2 ALA 124 -2.463 -5.049 14.244 977 3HB ALA 124 HB3 ALA 124 -2.806 -3.437 14.871 978 H LYS 125 HN LYS 125 -0.310 -5.604 12.577 979 HA LYS 125 HA LYS 125 1.392 -7.149 14.231 980 1HB LYS 125 HB2 LYS 125 0.322 -7.293 11.545 981 2HB LYS 125 HB1 LYS 125 2.003 -7.809 11.577 982 1HG LYS 125 HG2 LYS 125 0.982 -9.794 12.003 983 2HG LYS 125 HG1 LYS 125 1.172 -9.205 13.656 984 1HD LYS 125 HD2 LYS 125 -1.122 -8.324 13.588 985 2HD LYS 125 HD1 LYS 125 -1.306 -8.955 11.951 986 1HE LYS 125 HE2 LYS 125 -1.305 -11.162 12.663 987 2HE LYS 125 HE1 LYS 125 -0.500 -10.775 14.183 988 1HZ LYS 125 HZ1 LYS 125 -2.441 -10.120 15.152 989 2HZ LYS 125 HZ2 LYS 125 -3.050 -11.293 14.095 990 3HZ LYS 125 HZ3 LYS 125 -3.163 -9.653 13.694 991 H LEU 126 HN LEU 126 2.146 -5.073 11.431 992 HA LEU 126 HA LEU 126 4.977 -5.296 11.848 993 1HB LEU 126 HB2 LEU 126 3.555 -4.823 9.663 994 2HB LEU 126 HB1 LEU 126 3.802 -3.156 10.145 995 HG LEU 126 HG LEU 126 5.463 -3.994 8.489 996 1HD1 LEU 126 1HD1 LEU 126 7.199 -2.776 9.379 997 2HD1 LEU 126 2HD1 LEU 126 6.936 -3.391 11.011 998 3HD1 LEU 126 3HD1 LEU 126 5.836 -2.191 10.334 999 1HD2 LEU 126 1HD2 LEU 126 5.508 -6.295 9.727 1000 2HD2 LEU 126 2HD2 LEU 126 6.778 -5.530 10.682 1001 3HD2 LEU 126 3HD2 LEU 126 6.959 -5.682 8.934 1002 H LYS 127 HN LYS 127 2.497 -3.237 13.021 1003 HA LYS 127 HA LYS 127 4.126 -0.947 13.538 1004 1HB LYS 127 HB2 LYS 127 1.661 -0.903 13.307 1005 2HB LYS 127 HB1 LYS 127 1.522 -1.751 14.835 1006 1HG LYS 127 HG2 LYS 127 2.454 0.082 16.030 1007 2HG LYS 127 HG1 LYS 127 2.891 0.909 14.533 1008 1HD LYS 127 HD2 LYS 127 0.785 1.664 14.180 1009 2HD LYS 127 HD1 LYS 127 0.039 0.210 14.850 1010 1HE LYS 127 HE2 LYS 127 -0.428 2.149 16.247 1011 2HE LYS 127 HE1 LYS 127 0.570 0.979 17.109 1012 1HZ LYS 127 HZ1 LYS 127 1.754 2.825 17.573 1013 2HZ LYS 127 HZ2 LYS 127 1.224 3.666 16.204 1014 3HZ LYS 127 HZ3 LYS 127 2.454 2.514 16.064 1015 H ARG 128 HN ARG 128 2.978 -3.699 15.419 1016 HA ARG 128 HA ARG 128 4.113 -2.883 17.883 1017 1HB ARG 128 HB2 ARG 128 2.340 -4.521 17.859 1018 2HB ARG 128 HB1 ARG 128 3.288 -5.599 16.848 1019 1HG ARG 128 HG2 ARG 128 4.888 -5.904 18.674 1020 2HG ARG 128 HG1 ARG 128 3.925 -4.827 19.688 1021 1HD ARG 128 HD2 ARG 128 3.081 -6.826 20.379 1022 2HD ARG 128 HD1 ARG 128 2.005 -6.525 19.015 1023 HE ARG 128 HE ARG 128 4.267 -7.945 18.129 1024 1HH1 ARG 128 1HH1 ARG 128 1.384 -8.395 20.043 1025 2HH1 ARG 128 2HH1 ARG 128 1.269 -10.087 19.699 1026 1HH2 ARG 128 1HH2 ARG 128 4.119 -10.172 17.676 1027 2HH2 ARG 128 2HH2 ARG 128 2.823 -11.097 18.357 1028 H LEU 129 HN LEU 129 5.506 -3.901 14.993 1029 HA LEU 129 HA LEU 129 7.662 -5.470 15.928 1030 1HB LEU 129 HB2 LEU 129 8.075 -5.626 13.754 1031 2HB LEU 129 HB1 LEU 129 6.782 -4.484 13.459 1032 HG LEU 129 HG LEU 129 9.631 -3.641 13.968 1033 1HD1 LEU 129 1HD1 LEU 129 8.358 -4.698 11.543 1034 2HD1 LEU 129 2HD1 LEU 129 10.062 -4.603 11.987 1035 3HD1 LEU 129 3HD1 LEU 129 9.241 -3.186 11.332 1036 1HD2 LEU 129 1HD2 LEU 129 7.497 -2.108 14.195 1037 2HD2 LEU 129 2HD2 LEU 129 7.633 -2.056 12.439 1038 3HD2 LEU 129 3HD2 LEU 129 8.976 -1.514 13.444 1039 1HO1 MO2 130 1HO1 MO2 130 -5.469 4.672 -8.934 1040 2HO1 MO2 130 2HO1 MO2 130 -7.158 1.749 -11.284 1041 1HO2 MO2 130 1HO2 MO2 130 -6.137 3.871 -7.839 1042 2HO2 MO2 130 2HO2 MO2 130 -6.393 2.964 -11.756 1043 1H5* 8OG 131 1H5* 8OG 131 -12.469 4.426 -3.039 1044 2H5* 8OG 131 2H5* 8OG 131 -12.175 4.438 -1.326 1045 H4* 8OG 131 1H4* 8OG 131 -10.548 3.078 -3.465 1046 H3* 8OG 131 1H3* 8OG 131 -12.766 2.123 -1.984 1047 1H2* 8OG 131 1H2* 8OG 131 -11.837 0.834 -0.409 1048 2H2* 8OG 131 2H2* 8OG 131 -10.874 0.017 -1.618 1049 H1* 8OG 131 1H1* 8OG 131 -9.049 1.099 -0.995 1050 H1 8OG 131 H1 8OG 131 -6.085 0.453 4.128 1051 H7 8OG 131 H7 8OG 131 -10.697 2.303 3.696 1052 1H2 8OG 131 H21 8OG 131 -5.035 -0.159 0.847 1053 2H2 8OG 131 H22 8OG 131 -4.633 -0.227 2.530 1054 H3T 8OG 131 *HO1 8OG 131 -12.521 0.335 -3.416 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -24.058 -4.445 -1.930 2 2H MET 1 HT2 MET 1 -25.345 -5.489 -1.483 3 3H MET 1 HT3 MET 1 -25.214 -4.927 -3.100 4 HA MET 1 HA MET 1 -23.444 -6.788 -1.673 5 1HB MET 1 HB2 MET 1 -25.342 -6.964 -4.012 6 2HB MET 1 HB1 MET 1 -24.121 -8.190 -3.703 7 1HG MET 1 HG2 MET 1 -25.111 -8.542 -1.461 8 2HG MET 1 HG1 MET 1 -26.387 -7.404 -1.887 9 1HE MET 1 HE1 MET 1 -25.398 -11.095 -4.280 10 2HE MET 1 HE2 MET 1 -25.454 -11.485 -2.560 11 3HE MET 1 HE3 MET 1 -24.367 -10.224 -3.144 12 H LYS 2 HN LYS 2 -22.090 -4.606 -2.228 13 HA LYS 2 HA LYS 2 -20.911 -4.942 -4.898 14 1HB LYS 2 HB2 LYS 2 -21.763 -2.661 -3.775 15 2HB LYS 2 HB1 LYS 2 -20.116 -2.669 -3.157 16 1HG LYS 2 HG2 LYS 2 -20.398 -3.219 -6.035 17 2HG LYS 2 HG1 LYS 2 -20.837 -1.591 -5.512 18 1HD LYS 2 HD2 LYS 2 -18.637 -1.442 -4.352 19 2HD LYS 2 HD1 LYS 2 -18.209 -3.000 -5.061 20 1HE LYS 2 HE2 LYS 2 -17.860 -2.118 -7.109 21 2HE LYS 2 HE1 LYS 2 -19.195 -0.977 -6.957 22 1HZ LYS 2 HZ1 LYS 2 -17.334 0.371 -6.960 23 2HZ LYS 2 HZ2 LYS 2 -16.412 -0.697 -6.028 24 3HZ LYS 2 HZ3 LYS 2 -17.647 0.205 -5.304 25 H LYS 3 HN LYS 3 -18.773 -5.410 -5.175 26 HA LYS 3 HA LYS 3 -17.149 -5.802 -2.754 27 1HB LYS 3 HB2 LYS 3 -16.231 -7.864 -3.727 28 2HB LYS 3 HB1 LYS 3 -17.966 -7.985 -3.470 29 1HG LYS 3 HG2 LYS 3 -17.536 -7.000 -6.097 30 2HG LYS 3 HG1 LYS 3 -16.493 -8.402 -5.853 31 1HD LYS 3 HD2 LYS 3 -18.327 -9.576 -6.417 32 2HD LYS 3 HD1 LYS 3 -18.815 -9.276 -4.748 33 1HE LYS 3 HE2 LYS 3 -20.686 -8.526 -5.802 34 2HE LYS 3 HE1 LYS 3 -19.744 -7.037 -5.826 35 1HZ LYS 3 HZ1 LYS 3 -19.622 -8.963 -8.062 36 2HZ LYS 3 HZ2 LYS 3 -19.213 -7.322 -8.059 37 3HZ LYS 3 HZ3 LYS 3 -20.837 -7.789 -7.984 38 H LEU 4 HN LEU 4 -15.321 -4.697 -2.838 39 HA LEU 4 HA LEU 4 -14.050 -4.245 -5.450 40 1HB LEU 4 HB2 LEU 4 -13.390 -1.971 -4.595 41 2HB LEU 4 HB1 LEU 4 -15.087 -2.174 -4.984 42 HG LEU 4 HG LEU 4 -15.138 -2.769 -2.347 43 1HD1 LEU 4 1HD1 LEU 4 -12.659 -1.288 -2.848 44 2HD1 LEU 4 2HD1 LEU 4 -13.132 -2.285 -1.473 45 3HD1 LEU 4 3HD1 LEU 4 -13.682 -0.613 -1.579 46 1HD2 LEU 4 1HD2 LEU 4 -15.999 -0.525 -2.008 47 2HD2 LEU 4 2HD2 LEU 4 -16.570 -1.173 -3.546 48 3HD2 LEU 4 3HD2 LEU 4 -15.261 0.008 -3.517 49 H GLN 5 HN GLN 5 -11.839 -4.361 -5.481 50 HA GLN 5 HA GLN 5 -10.592 -5.334 -3.019 51 1HB GLN 5 HB2 GLN 5 -9.431 -5.504 -5.787 52 2HB GLN 5 HB1 GLN 5 -8.990 -6.443 -4.369 53 1HG GLN 5 HG2 GLN 5 -11.256 -7.466 -4.430 54 2HG GLN 5 HG1 GLN 5 -11.542 -6.612 -5.938 55 1HE2 GLN 5 1HE2 GLN 5 -11.059 -7.639 -7.746 56 2HE2 GLN 5 2HE2 GLN 5 -10.016 -9.010 -7.885 57 H ILE 6 HN ILE 6 -8.559 -4.649 -2.379 58 HA ILE 6 HA ILE 6 -7.391 -2.297 -3.631 59 HB ILE 6 HB ILE 6 -7.195 -1.736 -0.885 60 1HG1 ILE 6 2HG1 ILE 6 -9.234 -3.269 -0.698 61 2HG1 ILE 6 1HG1 ILE 6 -9.383 -1.662 -0.003 62 1HG2 ILE 6 1HG2 ILE 6 -9.024 -0.382 -2.847 63 2HG2 ILE 6 2HG2 ILE 6 -7.271 -0.205 -2.866 64 3HG2 ILE 6 3HG2 ILE 6 -8.195 0.329 -1.462 65 1HD1 ILE 6 1HD1 ILE 6 -10.258 -1.598 -2.718 66 2HD1 ILE 6 2HD1 ILE 6 -11.164 -1.267 -1.241 67 3HD1 ILE 6 3HD1 ILE 6 -11.065 -2.914 -1.865 68 H ALA 7 HN ALA 7 -5.308 -2.797 -3.901 69 HA ALA 7 HA ALA 7 -3.977 -4.340 -1.769 70 1HB ALA 7 HB1 ALA 7 -3.947 -4.753 -4.713 71 2HB ALA 7 HB2 ALA 7 -4.004 -5.938 -3.415 72 3HB ALA 7 HB3 ALA 7 -2.491 -5.116 -3.794 73 H VAL 8 HN VAL 8 -1.747 -3.854 -1.441 74 HA VAL 8 HA VAL 8 -0.733 -1.529 -2.862 75 HB VAL 8 HB VAL 8 -0.722 -0.048 -1.200 76 1HG1 VAL 8 1HG1 VAL 8 -3.053 -0.879 -1.206 77 2HG1 VAL 8 2HG1 VAL 8 -2.566 -0.188 0.341 78 3HG1 VAL 8 3HG1 VAL 8 -2.647 -1.939 0.145 79 1HG2 VAL 8 1HG2 VAL 8 0.996 -1.124 0.080 80 2HG2 VAL 8 2HG2 VAL 8 -0.146 -2.313 0.709 81 3HG2 VAL 8 3HG2 VAL 8 -0.278 -0.623 1.196 82 H GLY 9 HN GLY 9 1.505 -1.030 -2.341 83 1HA GLY 9 HA2 GLY 9 3.005 -3.341 -1.311 84 2HA GLY 9 HA1 GLY 9 3.422 -2.633 -2.860 85 H ILE 10 HN ILE 10 4.000 -2.559 0.428 86 HA ILE 10 HA ILE 10 4.679 0.198 0.717 87 HB ILE 10 HB ILE 10 6.123 -1.662 2.483 88 1HG1 ILE 10 2HG1 ILE 10 3.103 -1.692 2.346 89 2HG1 ILE 10 1HG1 ILE 10 4.195 -3.068 2.247 90 1HG2 ILE 10 1HG2 ILE 10 4.126 0.411 3.291 91 2HG2 ILE 10 2HG2 ILE 10 5.701 0.881 2.657 92 3HG2 ILE 10 3HG2 ILE 10 5.597 -0.106 4.115 93 1HD1 ILE 10 1HD1 ILE 10 3.038 -2.920 4.403 94 2HD1 ILE 10 2HD1 ILE 10 3.801 -1.355 4.688 95 3HD1 ILE 10 3HD1 ILE 10 4.791 -2.809 4.569 96 H ILE 11 HN ILE 11 6.087 0.900 -0.824 97 HA ILE 11 HA ILE 11 8.354 -0.592 -1.657 98 HB ILE 11 HB ILE 11 8.325 2.347 -2.066 99 1HG1 ILE 11 2HG1 ILE 11 6.349 0.401 -3.263 100 2HG1 ILE 11 1HG1 ILE 11 6.018 1.944 -2.481 101 1HG2 ILE 11 1HG2 ILE 11 9.588 1.862 -3.888 102 2HG2 ILE 11 2HG2 ILE 11 8.715 0.370 -4.237 103 3HG2 ILE 11 3HG2 ILE 11 9.929 0.401 -2.960 104 1HD1 ILE 11 1HD1 ILE 11 6.988 3.132 -4.344 105 2HD1 ILE 11 2HD1 ILE 11 5.736 2.028 -4.916 106 3HD1 ILE 11 3HD1 ILE 11 7.439 1.609 -5.110 107 H ARG 12 HN ARG 12 10.268 -0.791 -0.798 108 HA ARG 12 HA ARG 12 10.997 0.871 1.490 109 1HB ARG 12 HB2 ARG 12 11.658 -1.835 0.555 110 2HB ARG 12 HB1 ARG 12 13.026 -0.950 1.213 111 1HG ARG 12 HG2 ARG 12 10.727 -0.649 2.911 112 2HG ARG 12 HG1 ARG 12 11.073 -2.353 2.618 113 1HD ARG 12 HD2 ARG 12 13.445 -0.737 3.175 114 2HD ARG 12 HD1 ARG 12 12.290 -0.793 4.504 115 HE ARG 12 HE ARG 12 13.941 -2.941 3.552 116 1HH1 ARG 12 1HH1 ARG 12 10.990 -2.138 5.233 117 2HH1 ARG 12 2HH1 ARG 12 10.917 -3.644 6.083 118 1HH2 ARG 12 1HH2 ARG 12 13.847 -4.924 4.669 119 2HH2 ARG 12 2HH2 ARG 12 12.539 -5.226 5.763 120 H ASN 13 HN ASN 13 12.803 2.108 1.603 121 HA ASN 13 HA ASN 13 14.035 2.818 -0.955 122 1HB ASN 13 HB2 ASN 13 14.907 4.799 0.471 123 2HB ASN 13 HB1 ASN 13 13.210 4.762 0.030 124 1HD2 ASN 13 1HD2 ASN 13 11.881 5.242 1.595 125 2HD2 ASN 13 2HD2 ASN 13 12.153 4.991 3.280 126 H GLU 14 HN GLU 14 16.311 3.960 -0.322 127 HA GLU 14 HA GLU 14 18.091 1.779 0.096 128 1HB GLU 14 HB2 GLU 14 18.598 3.483 -1.523 129 2HB GLU 14 HB1 GLU 14 18.498 4.742 -0.294 130 1HG GLU 14 HG2 GLU 14 20.590 4.354 0.454 131 2HG GLU 14 HG1 GLU 14 20.476 2.613 0.203 132 H ASN 15 HN ASN 15 16.478 3.549 2.385 133 HA ASN 15 HA ASN 15 18.713 3.280 4.287 134 1HB ASN 15 HB2 ASN 15 18.004 5.661 3.707 135 2HB ASN 15 HB1 ASN 15 16.502 5.312 4.559 136 1HD2 ASN 15 1HD2 ASN 15 19.930 4.615 5.165 137 2HD2 ASN 15 2HD2 ASN 15 19.955 5.269 6.763 138 H ASN 16 HN ASN 16 16.995 1.167 3.813 139 HA ASN 16 HA ASN 16 15.486 -0.266 4.766 140 1HB ASN 16 HB2 ASN 16 15.877 -0.720 7.105 141 2HB ASN 16 HB1 ASN 16 17.417 -0.345 6.339 142 1HD2 ASN 16 1HD2 ASN 16 15.004 0.695 8.593 143 2HD2 ASN 16 2HD2 ASN 16 15.918 1.983 9.294 144 H GLU 17 HN GLU 17 14.561 2.510 4.272 145 HA GLU 17 HA GLU 17 12.351 2.594 6.208 146 1HB GLU 17 HB2 GLU 17 13.678 4.809 4.645 147 2HB GLU 17 HB1 GLU 17 12.118 5.009 5.416 148 1HG GLU 17 HG2 GLU 17 13.472 4.106 7.512 149 2HG GLU 17 HG1 GLU 17 14.815 4.801 6.608 150 H ILE 18 HN ILE 18 10.245 3.293 5.243 151 HA ILE 18 HA ILE 18 10.063 2.321 2.470 152 HB ILE 18 HB ILE 18 8.958 1.168 4.706 153 1HG1 ILE 18 2HG1 ILE 18 7.557 0.701 2.138 154 2HG1 ILE 18 1HG1 ILE 18 9.304 0.511 2.132 155 1HG2 ILE 18 1HG2 ILE 18 7.315 3.046 4.789 156 2HG2 ILE 18 2HG2 ILE 18 6.596 1.443 4.655 157 3HG2 ILE 18 3HG2 ILE 18 6.690 2.487 3.238 158 1HD1 ILE 18 1HD1 ILE 18 8.276 -1.611 2.543 159 2HD1 ILE 18 2HD1 ILE 18 7.351 -0.944 3.888 160 3HD1 ILE 18 3HD1 ILE 18 9.106 -1.078 4.004 161 H PHE 19 HN PHE 19 9.088 3.531 0.999 162 HA PHE 19 HA PHE 19 8.138 6.164 1.737 163 1HB PHE 19 HB2 PHE 19 9.393 6.384 -0.171 164 2HB PHE 19 HB1 PHE 19 8.980 4.779 -0.752 165 HD1 PHE 19 HD1 PHE 19 6.797 4.414 -1.895 166 HD2 PHE 19 HD2 PHE 19 8.227 8.300 -0.910 167 HE1 PHE 19 HE1 PHE 19 5.230 5.397 -3.517 168 HE2 PHE 19 HE2 PHE 19 6.661 9.288 -2.531 169 HZ PHE 19 HZ PHE 19 5.159 7.837 -3.834 170 H ILE 20 HN ILE 20 6.076 6.484 2.283 171 HA ILE 20 HA ILE 20 4.019 4.826 0.987 172 HB ILE 20 HB ILE 20 2.931 5.952 3.340 173 1HG1 ILE 20 2HG1 ILE 20 4.493 4.560 4.940 174 2HG1 ILE 20 1HG1 ILE 20 5.706 4.896 3.712 175 1HG2 ILE 20 1HG2 ILE 20 3.248 3.303 3.897 176 2HG2 ILE 20 2HG2 ILE 20 3.371 3.329 2.139 177 3HG2 ILE 20 3HG2 ILE 20 1.943 3.992 2.932 178 1HD1 ILE 20 1HD1 ILE 20 5.564 6.486 5.680 179 2HD1 ILE 20 2HD1 ILE 20 4.061 7.066 4.961 180 3HD1 ILE 20 3HD1 ILE 20 5.577 7.207 4.070 181 H THR 21 HN THR 21 2.241 5.824 0.150 182 HA THR 21 HA THR 21 2.473 8.627 -0.411 183 HB THR 21 HB THR 21 0.322 8.276 -1.637 184 HG1 THR 21 HG1 THR 21 -0.622 6.650 -0.471 185 1HG2 THR 21 1HG2 THR 21 1.723 5.984 -2.676 186 2HG2 THR 21 2HG2 THR 21 2.825 7.319 -2.332 187 3HG2 THR 21 3HG2 THR 21 1.447 7.568 -3.403 188 H ARG 22 HN ARG 22 1.754 10.222 0.850 189 HA ARG 22 HA ARG 22 -0.343 9.592 2.811 190 1HB ARG 22 HB2 ARG 22 0.508 11.376 4.166 191 2HB ARG 22 HB1 ARG 22 1.871 10.384 3.671 192 1HG ARG 22 HG2 ARG 22 2.549 11.996 2.046 193 2HG ARG 22 HG1 ARG 22 1.080 12.940 2.299 194 1HD ARG 22 HD2 ARG 22 1.762 13.483 4.546 195 2HD ARG 22 HD1 ARG 22 3.165 12.425 4.414 196 HE ARG 22 HE ARG 22 3.325 14.310 2.367 197 1HH1 ARG 22 1HH1 ARG 22 3.432 14.213 5.855 198 2HH1 ARG 22 2HH1 ARG 22 4.458 15.601 5.986 199 1HH2 ARG 22 1HH2 ARG 22 4.674 16.136 2.538 200 2HH2 ARG 22 2HH2 ARG 22 5.162 16.694 4.104 201 H ARG 23 HN ARG 23 -1.758 11.523 3.372 202 HA ARG 23 HA ARG 23 -3.013 12.425 0.966 203 1HB ARG 23 HB2 ARG 23 -3.516 12.780 3.890 204 2HB ARG 23 HB1 ARG 23 -4.313 13.866 2.760 205 1HG ARG 23 HG2 ARG 23 -4.523 11.059 2.005 206 2HG ARG 23 HG1 ARG 23 -5.253 11.427 3.568 207 1HD ARG 23 HD2 ARG 23 -6.385 13.384 2.374 208 2HD ARG 23 HD1 ARG 23 -5.896 12.593 0.875 209 HE ARG 23 HE ARG 23 -7.306 10.858 2.677 210 1HH1 ARG 23 1HH1 ARG 23 -7.659 13.246 0.156 211 2HH1 ARG 23 2HH1 ARG 23 -9.227 12.689 -0.324 212 1HH2 ARG 23 1HH2 ARG 23 -9.367 10.124 2.046 213 2HH2 ARG 23 2HH2 ARG 23 -10.197 10.917 0.749 214 H ALA 24 HN ALA 24 -0.649 13.345 0.520 215 HA ALA 24 HA ALA 24 0.705 15.130 0.178 216 1HB ALA 24 HB1 ALA 24 -0.834 17.335 0.003 217 2HB ALA 24 HB2 ALA 24 -2.067 16.083 -0.146 218 3HB ALA 24 HB3 ALA 24 -0.711 16.125 -1.273 219 H ALA 25 HN ALA 25 0.884 17.672 0.941 220 HA ALA 25 HA ALA 25 1.083 17.479 3.862 221 1HB ALA 25 HB1 ALA 25 2.905 18.900 3.788 222 2HB ALA 25 HB2 ALA 25 2.419 19.612 2.250 223 3HB ALA 25 HB3 ALA 25 3.088 17.981 2.294 224 H ASP 26 HN ASP 26 -1.258 18.397 2.013 225 HA ASP 26 HA ASP 26 -2.465 20.162 3.778 226 1HB ASP 26 HB2 ASP 26 -2.395 22.267 2.351 227 2HB ASP 26 HB1 ASP 26 -0.916 21.878 3.225 228 H ALA 27 HN ALA 27 -3.179 17.922 2.261 229 HA ALA 27 HA ALA 27 -4.848 18.833 0.071 230 1HB ALA 27 HB1 ALA 27 -4.113 16.162 1.188 231 2HB ALA 27 HB2 ALA 27 -3.916 16.788 -0.448 232 3HB ALA 27 HB3 ALA 27 -5.514 16.318 0.129 233 H HIS 28 HN HIS 28 -5.708 16.542 2.641 234 HA HIS 28 HA HIS 28 -7.903 18.244 3.505 235 1HB HIS 28 HB2 HIS 28 -8.339 15.505 2.299 236 2HB HIS 28 HB1 HIS 28 -9.559 16.395 3.203 237 HD1 HIS 28 HD1 HIS 28 -8.466 15.803 -0.145 238 HD2 HIS 28 HD2 HIS 28 -10.061 19.057 1.889 239 HE1 HIS 28 HE1 HIS 28 -9.354 17.341 -1.926 240 HE2 HIS 28 HE2 HIS 28 -10.238 19.340 -0.675 241 H MET 29 HN MET 29 -7.277 14.755 3.798 242 HA MET 29 HA MET 29 -7.092 15.132 6.713 243 1HB MET 29 HB2 MET 29 -7.686 12.651 6.769 244 2HB MET 29 HB1 MET 29 -8.960 13.761 6.284 245 1HG MET 29 HG2 MET 29 -7.327 12.658 4.100 246 2HG MET 29 HG1 MET 29 -8.340 11.504 4.965 247 1HE MET 29 HE1 MET 29 -10.574 11.714 5.467 248 2HE MET 29 HE2 MET 29 -11.675 11.909 4.103 249 3HE MET 29 HE3 MET 29 -11.483 13.212 5.275 250 H ALA 30 HN ALA 30 -4.956 15.338 7.111 251 HA ALA 30 HA ALA 30 -2.940 13.879 5.724 252 1HB ALA 30 HB1 ALA 30 -1.621 14.749 7.879 253 2HB ALA 30 HB2 ALA 30 -3.024 15.814 7.955 254 3HB ALA 30 HB3 ALA 30 -2.015 15.787 6.509 255 H ASN 31 HN ASN 31 -5.088 12.945 8.132 256 HA ASN 31 HA ASN 31 -3.265 11.083 9.422 257 1HB ASN 31 HB2 ASN 31 -5.801 12.311 10.074 258 2HB ASN 31 HB1 ASN 31 -5.878 10.566 10.300 259 1HD2 ASN 31 1HD2 ASN 31 -3.148 12.769 10.702 260 2HD2 ASN 31 2HD2 ASN 31 -2.904 12.443 12.382 261 H LYS 32 HN LYS 32 -4.325 10.919 6.513 262 HA LYS 32 HA LYS 32 -5.325 8.166 6.699 263 1HB LYS 32 HB2 LYS 32 -6.151 10.429 5.048 264 2HB LYS 32 HB1 LYS 32 -5.868 8.964 4.118 265 1HG LYS 32 HG2 LYS 32 -7.332 7.903 6.055 266 2HG LYS 32 HG1 LYS 32 -7.944 9.557 6.143 267 1HD LYS 32 HD2 LYS 32 -9.362 8.413 4.634 268 2HD LYS 32 HD1 LYS 32 -8.302 9.417 3.642 269 1HE LYS 32 HE2 LYS 32 -6.813 7.307 3.520 270 2HE LYS 32 HE1 LYS 32 -8.259 6.449 4.051 271 1HZ LYS 32 HZ1 LYS 32 -8.444 8.291 1.770 272 2HZ LYS 32 HZ2 LYS 32 -9.354 6.906 2.107 273 3HZ LYS 32 HZ3 LYS 32 -7.771 6.756 1.533 274 H LEU 33 HN LEU 33 -2.562 9.113 6.713 275 HA LEU 33 HA LEU 33 -1.170 8.834 4.364 276 1HB LEU 33 HB2 LEU 33 -0.393 9.274 6.808 277 2HB LEU 33 HB1 LEU 33 -0.198 7.539 6.881 278 HG LEU 33 HG LEU 33 1.367 9.557 5.340 279 1HD1 LEU 33 1HD1 LEU 33 2.041 8.601 7.574 280 2HD1 LEU 33 2HD1 LEU 33 3.232 8.465 6.281 281 3HD1 LEU 33 3HD1 LEU 33 2.270 7.062 6.746 282 1HD2 LEU 33 1HD2 LEU 33 1.224 6.634 4.605 283 2HD2 LEU 33 2HD2 LEU 33 2.309 7.838 3.911 284 3HD2 LEU 33 3HD2 LEU 33 0.570 7.959 3.644 285 H GLU 34 HN GLU 34 -1.695 7.297 2.877 286 HA GLU 34 HA GLU 34 -1.849 4.511 3.805 287 1HB GLU 34 HB2 GLU 34 -3.691 5.869 2.355 288 2HB GLU 34 HB1 GLU 34 -2.743 5.147 1.064 289 1HG GLU 34 HG2 GLU 34 -3.528 3.095 1.467 290 2HG GLU 34 HG1 GLU 34 -3.437 3.294 3.216 291 H PHE 35 HN PHE 35 -1.473 3.128 1.521 292 HA PHE 35 HA PHE 35 1.275 3.832 0.733 293 1HB PHE 35 HB2 PHE 35 0.601 0.995 0.510 294 2HB PHE 35 HB1 PHE 35 2.026 1.760 1.194 295 HD1 PHE 35 HD1 PHE 35 -1.581 1.214 1.992 296 HD2 PHE 35 HD2 PHE 35 2.407 1.531 3.444 297 HE1 PHE 35 HE1 PHE 35 -2.362 0.638 4.253 298 HE2 PHE 35 HE2 PHE 35 1.633 0.957 5.707 299 HZ PHE 35 HZ PHE 35 -0.755 0.509 6.114 300 HA PRO 36 HA PRO 36 0.109 3.342 -3.500 301 1HB PRO 36 HB2 PRO 36 2.338 2.425 -4.646 302 2HB PRO 36 HB1 PRO 36 2.295 4.013 -3.874 303 1HG PRO 36 HG2 PRO 36 3.402 1.436 -2.846 304 2HG PRO 36 HG1 PRO 36 4.066 3.073 -2.709 305 1HD PRO 36 HD2 PRO 36 2.642 1.774 -0.723 306 2HD PRO 36 HD1 PRO 36 2.835 3.533 -0.845 307 H GLY 37 HN GLY 37 -0.106 1.866 -5.352 308 1HA GLY 37 HA2 GLY 37 -0.089 -0.337 -6.267 309 2HA GLY 37 HA1 GLY 37 -0.045 -0.985 -4.650 310 H GLY 38 HN GLY 38 -2.313 1.318 -4.423 311 1HA GLY 38 HA2 GLY 38 -4.485 -0.451 -4.290 312 2HA GLY 38 HA1 GLY 38 -4.590 1.304 -4.303 313 H LYS 39 HN LYS 39 -6.558 -0.148 -5.512 314 HA LYS 39 HA LYS 39 -7.808 0.016 -7.397 315 1HB LYS 39 HB2 LYS 39 -6.603 2.093 -7.953 316 2HB LYS 39 HB1 LYS 39 -5.353 1.146 -8.744 317 1HG LYS 39 HG2 LYS 39 -6.534 0.959 -10.611 318 2HG LYS 39 HG1 LYS 39 -7.993 0.496 -9.734 319 1HD LYS 39 HD2 LYS 39 -7.146 3.341 -9.604 320 2HD LYS 39 HD1 LYS 39 -7.837 2.759 -11.120 321 1HE LYS 39 HE2 LYS 39 -9.797 3.281 -10.149 322 2HE LYS 39 HE1 LYS 39 -9.593 1.731 -9.335 323 1HZ LYS 39 HZ1 LYS 39 -8.228 3.327 -7.706 324 2HZ LYS 39 HZ2 LYS 39 -9.875 2.996 -7.514 325 3HZ LYS 39 HZ3 LYS 39 -9.383 4.425 -8.273 326 H ILE 40 HN ILE 40 -5.494 -2.069 -6.744 327 HA ILE 40 HA ILE 40 -4.858 -3.355 -9.132 328 HB ILE 40 HB ILE 40 -4.181 -5.211 -7.912 329 1HG1 ILE 40 2HG1 ILE 40 -5.660 -4.520 -5.410 330 2HG1 ILE 40 1HG1 ILE 40 -6.577 -5.245 -6.721 331 1HG2 ILE 40 1HG2 ILE 40 -4.012 -3.098 -5.793 332 2HG2 ILE 40 2HG2 ILE 40 -3.156 -2.940 -7.325 333 3HG2 ILE 40 3HG2 ILE 40 -2.810 -4.304 -6.266 334 1HD1 ILE 40 1HD1 ILE 40 -4.061 -6.602 -6.071 335 2HD1 ILE 40 2HD1 ILE 40 -5.657 -7.261 -6.430 336 3HD1 ILE 40 3HD1 ILE 40 -5.301 -6.645 -4.818 337 H GLU 41 HN GLU 41 -7.706 -3.238 -7.280 338 HA GLU 41 HA GLU 41 -9.163 -5.437 -7.839 339 1HB GLU 41 HB2 GLU 41 -11.147 -3.748 -8.032 340 2HB GLU 41 HB1 GLU 41 -10.265 -3.896 -6.523 341 1HG GLU 41 HG2 GLU 41 -9.875 -1.725 -6.563 342 2HG GLU 41 HG1 GLU 41 -8.931 -1.919 -8.029 343 H MET 42 HN MET 42 -9.510 -2.528 -9.846 344 HA MET 42 HA MET 42 -10.603 -2.476 -11.943 345 1HB MET 42 HB2 MET 42 -7.770 -3.450 -12.232 346 2HB MET 42 HB1 MET 42 -8.743 -2.979 -13.619 347 1HG MET 42 HG2 MET 42 -8.151 -1.191 -11.275 348 2HG MET 42 HG1 MET 42 -7.233 -1.204 -12.780 349 1HE MET 42 HE1 MET 42 -8.599 -0.694 -15.261 350 2HE MET 42 HE2 MET 42 -7.539 0.435 -14.417 351 3HE MET 42 HE3 MET 42 -9.072 0.996 -15.085 352 H GLY 43 HN GLY 43 -8.553 -5.242 -12.712 353 1HA GLY 43 HA2 GLY 43 -10.639 -7.178 -12.714 354 2HA GLY 43 HA1 GLY 43 -10.397 -6.519 -14.317 355 H GLU 44 HN GLU 44 -7.800 -6.869 -12.068 356 HA GLU 44 HA GLU 44 -6.442 -8.652 -13.917 357 1HB GLU 44 HB2 GLU 44 -5.651 -6.776 -11.834 358 2HB GLU 44 HB1 GLU 44 -4.766 -8.291 -11.734 359 1HG GLU 44 HG2 GLU 44 -3.395 -7.344 -13.214 360 2HG GLU 44 HG1 GLU 44 -4.632 -7.777 -14.394 361 H THR 45 HN THR 45 -4.824 -10.162 -12.341 362 HA THR 45 HA THR 45 -6.738 -12.022 -11.129 363 HB THR 45 HB THR 45 -4.045 -13.051 -11.345 364 HG1 THR 45 HG1 THR 45 -3.548 -12.612 -13.346 365 1HG2 THR 45 1HG2 THR 45 -5.470 -14.403 -13.207 366 2HG2 THR 45 2HG2 THR 45 -6.749 -13.830 -12.134 367 3HG2 THR 45 3HG2 THR 45 -5.425 -14.798 -11.488 368 HA PRO 46 HA PRO 46 -5.564 -11.505 -6.917 369 1HB PRO 46 HB2 PRO 46 -4.596 -14.113 -6.393 370 2HB PRO 46 HB1 PRO 46 -6.230 -13.509 -6.113 371 1HG PRO 46 HG2 PRO 46 -5.158 -15.072 -8.405 372 2HG PRO 46 HG1 PRO 46 -6.769 -15.116 -7.664 373 1HD PRO 46 HD2 PRO 46 -6.384 -13.918 -10.009 374 2HD PRO 46 HD1 PRO 46 -7.476 -13.208 -8.803 375 H GLU 47 HN GLU 47 -3.290 -12.926 -9.167 376 HA GLU 47 HA GLU 47 -1.053 -12.152 -7.432 377 1HB GLU 47 HB2 GLU 47 -1.460 -14.240 -9.469 378 2HB GLU 47 HB1 GLU 47 0.109 -13.447 -9.528 379 1HG GLU 47 HG2 GLU 47 0.239 -13.926 -7.021 380 2HG GLU 47 HG1 GLU 47 -1.106 -15.032 -7.296 381 H GLN 48 HN GLN 48 -2.346 -11.706 -10.704 382 HA GLN 48 HA GLN 48 -0.206 -9.941 -11.474 383 1HB GLN 48 HB2 GLN 48 -2.793 -10.765 -12.776 384 2HB GLN 48 HB1 GLN 48 -1.745 -9.540 -13.479 385 1HG GLN 48 HG2 GLN 48 0.007 -11.574 -13.002 386 2HG GLN 48 HG1 GLN 48 -1.467 -12.445 -13.417 387 1HE2 GLN 48 1HE2 GLN 48 1.274 -11.206 -14.659 388 2HE2 GLN 48 2HE2 GLN 48 0.774 -10.937 -16.291 389 H ALA 49 HN ALA 49 -3.047 -9.567 -9.671 390 HA ALA 49 HA ALA 49 -3.952 -7.043 -10.442 391 1HB ALA 49 HB1 ALA 49 -5.057 -6.931 -8.334 392 2HB ALA 49 HB2 ALA 49 -3.938 -8.093 -7.619 393 3HB ALA 49 HB3 ALA 49 -5.085 -8.616 -8.854 394 H VAL 50 HN VAL 50 -1.634 -7.900 -7.885 395 HA VAL 50 HA VAL 50 -0.938 -5.151 -7.418 396 HB VAL 50 HB VAL 50 0.538 -5.914 -5.746 397 1HG1 VAL 50 1HG1 VAL 50 -2.104 -6.958 -5.908 398 2HG1 VAL 50 2HG1 VAL 50 -1.180 -6.504 -4.477 399 3HG1 VAL 50 3HG1 VAL 50 -1.079 -8.148 -5.107 400 1HG2 VAL 50 1HG2 VAL 50 0.445 -8.611 -7.093 401 2HG2 VAL 50 2HG2 VAL 50 1.222 -8.296 -5.541 402 3HG2 VAL 50 3HG2 VAL 50 1.823 -7.515 -7.004 403 H VAL 51 HN VAL 51 0.650 -7.944 -8.917 404 HA VAL 51 HA VAL 51 3.091 -6.718 -9.506 405 HB VAL 51 HB VAL 51 1.758 -8.907 -11.105 406 1HG1 VAL 51 1HG1 VAL 51 4.385 -7.650 -11.173 407 2HG1 VAL 51 2HG1 VAL 51 3.586 -8.675 -12.365 408 3HG1 VAL 51 3HG1 VAL 51 4.458 -9.406 -11.017 409 1HG2 VAL 51 1HG2 VAL 51 2.177 -10.400 -9.489 410 2HG2 VAL 51 2HG2 VAL 51 2.258 -9.001 -8.419 411 3HG2 VAL 51 3HG2 VAL 51 3.738 -9.680 -9.097 412 H ARG 52 HN ARG 52 0.099 -6.934 -11.393 413 HA ARG 52 HA ARG 52 1.265 -5.561 -13.618 414 1HB ARG 52 HB2 ARG 52 -0.639 -7.226 -13.776 415 2HB ARG 52 HB1 ARG 52 -1.679 -5.977 -13.105 416 1HG ARG 52 HG2 ARG 52 -2.005 -5.844 -15.410 417 2HG ARG 52 HG1 ARG 52 -0.898 -4.519 -15.044 418 1HD ARG 52 HD2 ARG 52 0.889 -5.554 -16.048 419 2HD ARG 52 HD1 ARG 52 0.234 -7.171 -15.790 420 HE ARG 52 HE ARG 52 -0.096 -5.577 -18.094 421 1HH1 ARG 52 1HH1 ARG 52 -1.868 -7.760 -16.028 422 2HH1 ARG 52 2HH1 ARG 52 -2.947 -8.270 -17.282 423 1HH2 ARG 52 1HH2 ARG 52 -1.514 -6.247 -19.746 424 2HH2 ARG 52 2HH2 ARG 52 -2.746 -7.413 -19.393 425 H GLU 53 HN GLU 53 -0.771 -4.718 -10.890 426 HA GLU 53 HA GLU 53 -1.229 -2.029 -11.764 427 1HB GLU 53 HB2 GLU 53 -2.756 -3.285 -10.227 428 2HB GLU 53 HB1 GLU 53 -1.524 -3.161 -8.978 429 1HG GLU 53 HG2 GLU 53 -2.714 -1.348 -8.392 430 2HG GLU 53 HG1 GLU 53 -1.737 -0.579 -9.642 431 H LEU 54 HN LEU 54 1.321 -3.675 -10.159 432 HA LEU 54 HA LEU 54 2.406 -1.658 -8.571 433 1HB LEU 54 HB2 LEU 54 3.118 -4.226 -9.259 434 2HB LEU 54 HB1 LEU 54 4.395 -3.271 -9.984 435 HG LEU 54 HG LEU 54 5.035 -2.367 -7.877 436 1HD1 LEU 54 1HD1 LEU 54 3.564 -3.605 -5.905 437 2HD1 LEU 54 2HD1 LEU 54 2.346 -3.141 -7.093 438 3HD1 LEU 54 3HD1 LEU 54 3.419 -1.920 -6.408 439 1HD2 LEU 54 1HD2 LEU 54 6.103 -4.202 -7.183 440 2HD2 LEU 54 2HD2 LEU 54 5.284 -4.992 -8.530 441 3HD2 LEU 54 3HD2 LEU 54 4.605 -5.089 -6.906 442 H GLN 55 HN GLN 55 2.905 -2.380 -12.003 443 HA GLN 55 HA GLN 55 4.819 -0.358 -12.479 444 1HB GLN 55 HB2 GLN 55 3.413 -2.307 -14.010 445 2HB GLN 55 HB1 GLN 55 3.176 -0.752 -14.797 446 1HG GLN 55 HG2 GLN 55 5.920 -1.546 -13.959 447 2HG GLN 55 HG1 GLN 55 5.213 -2.271 -15.402 448 1HE2 GLN 55 1HE2 GLN 55 6.863 -1.240 -16.619 449 2HE2 GLN 55 2HE2 GLN 55 6.744 0.435 -17.025 450 H GLU 56 HN GLU 56 1.326 -0.436 -12.435 451 HA GLU 56 HA GLU 56 0.977 2.246 -13.404 452 1HB GLU 56 HB2 GLU 56 -0.690 0.299 -13.533 453 2HB GLU 56 HB1 GLU 56 -1.056 0.659 -11.859 454 1HG GLU 56 HG2 GLU 56 -1.124 2.964 -13.673 455 2HG GLU 56 HG1 GLU 56 -2.346 1.730 -13.973 456 H GLU 57 HN GLU 57 1.506 0.735 -10.322 457 HA GLU 57 HA GLU 57 0.779 3.241 -8.989 458 1HB GLU 57 HB2 GLU 57 1.002 0.420 -7.972 459 2HB GLU 57 HB1 GLU 57 0.873 1.802 -6.894 460 1HG GLU 57 HG2 GLU 57 -1.134 1.349 -9.065 461 2HG GLU 57 HG1 GLU 57 -1.262 0.515 -7.518 462 H VAL 58 HN VAL 58 3.436 1.993 -10.282 463 HA VAL 58 HA VAL 58 5.178 3.234 -8.276 464 HB VAL 58 HB VAL 58 5.891 0.678 -9.731 465 1HG1 VAL 58 1HG1 VAL 58 7.965 1.370 -9.270 466 2HG1 VAL 58 2HG1 VAL 58 7.590 0.966 -7.595 467 3HG1 VAL 58 3HG1 VAL 58 7.398 2.623 -8.165 468 1HG2 VAL 58 1HG2 VAL 58 4.777 -0.423 -8.158 469 2HG2 VAL 58 2HG2 VAL 58 4.379 1.077 -7.319 470 3HG2 VAL 58 3HG2 VAL 58 5.893 0.243 -6.968 471 H GLY 59 HN GLY 59 4.808 1.996 -11.557 472 1HA GLY 59 HA2 GLY 59 5.412 2.876 -13.566 473 2HA GLY 59 HA1 GLY 59 5.732 4.381 -12.748 474 H ILE 60 HN ILE 60 7.745 3.470 -11.048 475 HA ILE 60 HA ILE 60 9.967 3.525 -12.838 476 HB ILE 60 HB ILE 60 11.116 3.073 -10.426 477 1HG1 ILE 60 2HG1 ILE 60 8.925 4.920 -9.631 478 2HG1 ILE 60 1HG1 ILE 60 8.659 3.185 -9.520 479 1HG2 ILE 60 1HG2 ILE 60 11.694 5.354 -10.423 480 2HG2 ILE 60 2HG2 ILE 60 10.203 5.805 -11.252 481 3HG2 ILE 60 3HG2 ILE 60 11.459 4.916 -12.115 482 1HD1 ILE 60 1HD1 ILE 60 10.678 4.847 -8.074 483 2HD1 ILE 60 2HD1 ILE 60 10.827 3.096 -8.202 484 3HD1 ILE 60 3HD1 ILE 60 9.421 3.804 -7.410 485 H THR 61 HN THR 61 11.922 2.062 -11.890 486 HA THR 61 HA THR 61 10.985 -0.709 -12.108 487 HB THR 61 HB THR 61 13.534 -0.874 -12.791 488 HG1 THR 61 HG1 THR 61 14.288 0.958 -13.747 489 1HG2 THR 61 1HG2 THR 61 11.530 0.292 -14.700 490 2HG2 THR 61 2HG2 THR 61 11.641 -1.419 -14.281 491 3HG2 THR 61 3HG2 THR 61 12.976 -0.629 -15.120 492 HA PRO 62 HA PRO 62 13.105 -0.624 -8.061 493 1HB PRO 62 HB2 PRO 62 11.047 -0.956 -6.484 494 2HB PRO 62 HB1 PRO 62 11.134 0.522 -7.449 495 1HG PRO 62 HG2 PRO 62 9.451 -1.903 -7.863 496 2HG PRO 62 HG1 PRO 62 9.061 -0.200 -8.165 497 1HD PRO 62 HD2 PRO 62 10.062 -2.123 -10.039 498 2HD PRO 62 HD1 PRO 62 9.750 -0.399 -10.307 499 H GLN 63 HN GLN 63 13.706 -2.266 -6.590 500 HA GLN 63 HA GLN 63 13.076 -4.967 -7.437 501 1HB GLN 63 HB2 GLN 63 15.024 -5.568 -6.426 502 2HB GLN 63 HB1 GLN 63 15.369 -3.848 -6.455 503 1HG GLN 63 HG2 GLN 63 14.631 -3.616 -4.181 504 2HG GLN 63 HG1 GLN 63 14.124 -5.296 -4.149 505 1HE2 GLN 63 1HE2 GLN 63 16.145 -6.654 -5.214 506 2HE2 GLN 63 2HE2 GLN 63 17.596 -6.442 -4.300 507 H HIS 64 HN HIS 64 10.894 -4.744 -7.029 508 HA HIS 64 HA HIS 64 10.093 -4.712 -4.198 509 1HB HIS 64 HB2 HIS 64 9.340 -2.718 -5.244 510 2HB HIS 64 HB1 HIS 64 8.910 -3.564 -6.693 511 HD1 HIS 64 HD1 HIS 64 7.048 -5.740 -5.172 512 HD2 HIS 64 HD2 HIS 64 6.868 -1.602 -4.875 513 HE1 HIS 64 HE1 HIS 64 4.712 -5.225 -4.426 514 HE2 HIS 64 HE2 HIS 64 4.583 -2.713 -4.413 515 H PHE 65 HN PHE 65 9.093 -6.498 -3.474 516 HA PHE 65 HA PHE 65 7.261 -8.029 -4.957 517 1HB PHE 65 HB2 PHE 65 9.628 -8.486 -6.002 518 2HB PHE 65 HB1 PHE 65 9.797 -9.533 -4.604 519 HD1 PHE 65 HD1 PHE 65 8.758 -11.659 -4.544 520 HD2 PHE 65 HD2 PHE 65 7.756 -8.880 -7.608 521 HE1 PHE 65 HE1 PHE 65 7.521 -13.422 -5.737 522 HE2 PHE 65 HE2 PHE 65 6.519 -10.637 -8.805 523 HZ PHE 65 HZ PHE 65 6.399 -12.911 -7.870 524 H SER 66 HN SER 66 6.666 -10.062 -3.883 525 HA SER 66 HA SER 66 6.408 -11.487 -2.101 526 1HB SER 66 HB2 SER 66 8.883 -10.723 -1.535 527 2HB SER 66 HB1 SER 66 8.069 -9.826 -0.254 528 HG SER 66 HG SER 66 8.490 -12.525 -0.520 529 H LEU 67 HN LEU 67 5.075 -11.511 -0.220 530 HA LEU 67 HA LEU 67 3.702 -8.948 0.212 531 1HB LEU 67 HB2 LEU 67 1.677 -10.008 0.310 532 2HB LEU 67 HB1 LEU 67 2.516 -11.021 -0.847 533 HG LEU 67 HG LEU 67 3.122 -12.419 1.313 534 1HD1 LEU 67 1HD1 LEU 67 2.227 -11.350 3.103 535 2HD1 LEU 67 2HD1 LEU 67 0.829 -12.326 2.651 536 3HD1 LEU 67 3HD1 LEU 67 0.917 -10.634 2.164 537 1HD2 LEU 67 1HD2 LEU 67 1.278 -13.863 0.830 538 2HD2 LEU 67 2HD2 LEU 67 1.806 -13.132 -0.686 539 3HD2 LEU 67 3HD2 LEU 67 0.356 -12.535 0.123 540 H PHE 68 HN PHE 68 3.659 -8.100 2.194 541 HA PHE 68 HA PHE 68 5.096 -9.408 4.304 542 1HB PHE 68 HB2 PHE 68 5.434 -7.293 4.942 543 2HB PHE 68 HB1 PHE 68 4.373 -6.746 3.652 544 HD1 PHE 68 HD1 PHE 68 4.466 -7.760 7.207 545 HD2 PHE 68 HD2 PHE 68 2.271 -5.823 4.123 546 HE1 PHE 68 HE1 PHE 68 2.891 -6.885 8.883 547 HE2 PHE 68 HE2 PHE 68 0.690 -4.945 5.793 548 HZ PHE 68 HZ PHE 68 1.001 -5.470 8.176 549 H GLU 69 HN GLU 69 1.738 -8.328 3.856 550 HA GLU 69 HA GLU 69 0.637 -10.604 5.123 551 1HB GLU 69 HB2 GLU 69 1.121 -8.192 6.788 552 2HB GLU 69 HB1 GLU 69 -0.435 -8.987 6.976 553 1HG GLU 69 HG2 GLU 69 1.351 -11.078 7.052 554 2HG GLU 69 HG1 GLU 69 2.197 -9.788 7.904 555 H LYS 70 HN LYS 70 -1.418 -10.839 4.416 556 HA LYS 70 HA LYS 70 -2.684 -8.458 3.223 557 1HB LYS 70 HB2 LYS 70 -3.984 -10.169 1.864 558 2HB LYS 70 HB1 LYS 70 -2.272 -10.015 1.492 559 1HG LYS 70 HG2 LYS 70 -1.768 -12.022 2.706 560 2HG LYS 70 HG1 LYS 70 -3.433 -12.141 3.278 561 1HD LYS 70 HD2 LYS 70 -4.110 -12.261 0.834 562 2HD LYS 70 HD1 LYS 70 -2.397 -12.489 0.474 563 1HE LYS 70 HE2 LYS 70 -2.374 -14.599 1.280 564 2HE LYS 70 HE1 LYS 70 -3.500 -14.225 2.583 565 1HZ LYS 70 HZ1 LYS 70 -4.589 -15.698 1.110 566 2HZ LYS 70 HZ2 LYS 70 -4.149 -14.797 -0.252 567 3HZ LYS 70 HZ3 LYS 70 -5.275 -14.174 0.845 568 H LEU 71 HN LEU 71 -4.629 -7.815 3.931 569 HA LEU 71 HA LEU 71 -5.980 -9.501 5.927 570 1HB LEU 71 HB2 LEU 71 -5.236 -7.449 6.904 571 2HB LEU 71 HB1 LEU 71 -5.879 -6.510 5.573 572 HG LEU 71 HG LEU 71 -8.159 -7.624 6.435 573 1HD1 LEU 71 1HD1 LEU 71 -7.423 -8.871 8.253 574 2HD1 LEU 71 2HD1 LEU 71 -8.017 -7.384 8.991 575 3HD1 LEU 71 3HD1 LEU 71 -6.284 -7.627 8.769 576 1HD2 LEU 71 1HD2 LEU 71 -7.868 -5.267 6.122 577 2HD2 LEU 71 2HD2 LEU 71 -6.798 -5.166 7.522 578 3HD2 LEU 71 3HD2 LEU 71 -8.508 -5.536 7.743 579 H GLU 72 HN GLU 72 -8.005 -10.179 5.545 580 HA GLU 72 HA GLU 72 -9.441 -9.004 3.259 581 1HB GLU 72 HB2 GLU 72 -8.849 -11.137 2.508 582 2HB GLU 72 HB1 GLU 72 -9.070 -11.864 4.091 583 1HG GLU 72 HG2 GLU 72 -11.339 -12.044 3.848 584 2HG GLU 72 HG1 GLU 72 -11.430 -10.725 2.682 585 H TYR 73 HN TYR 73 -11.059 -7.821 4.044 586 HA TYR 73 HA TYR 73 -12.876 -9.049 5.980 587 1HB TYR 73 HB2 TYR 73 -12.988 -7.048 7.345 588 2HB TYR 73 HB1 TYR 73 -11.317 -7.599 7.258 589 HD1 TYR 73 HD1 TYR 73 -13.593 -4.884 6.631 590 HD2 TYR 73 HD2 TYR 73 -9.728 -6.401 5.702 591 HE1 TYR 73 HE1 TYR 73 -12.908 -2.652 5.863 592 HE2 TYR 73 HE2 TYR 73 -9.033 -4.171 4.932 593 HH TYR 73 HH TYR 73 -9.655 -1.841 5.234 594 H GLU 74 HN GLU 74 -15.022 -8.374 5.811 595 HA GLU 74 HA GLU 74 -15.598 -6.616 3.519 596 1HB GLU 74 HB2 GLU 74 -17.782 -8.023 3.409 597 2HB GLU 74 HB1 GLU 74 -16.304 -8.665 2.710 598 1HG GLU 74 HG2 GLU 74 -15.974 -9.834 4.959 599 2HG GLU 74 HG1 GLU 74 -17.664 -9.441 5.262 600 H PHE 75 HN PHE 75 -17.147 -5.104 3.729 601 HA PHE 75 HA PHE 75 -18.032 -4.494 6.418 602 1HB PHE 75 HB2 PHE 75 -17.611 -3.025 3.908 603 2HB PHE 75 HB1 PHE 75 -19.022 -2.509 4.814 604 HD1 PHE 75 HD1 PHE 75 -16.269 -1.123 4.150 605 HD2 PHE 75 HD2 PHE 75 -17.884 -3.023 7.601 606 HE1 PHE 75 HE1 PHE 75 -14.809 0.241 5.583 607 HE2 PHE 75 HE2 PHE 75 -16.427 -1.661 9.037 608 HZ PHE 75 HZ PHE 75 -14.887 -0.026 8.030 609 HA PRO 76 HA PRO 76 -22.261 -5.702 6.246 610 1HB PRO 76 HB2 PRO 76 -23.592 -3.257 6.521 611 2HB PRO 76 HB1 PRO 76 -23.038 -4.291 7.841 612 1HG PRO 76 HG2 PRO 76 -21.754 -1.877 6.655 613 2HG PRO 76 HG1 PRO 76 -21.791 -2.418 8.344 614 1HD PRO 76 HD2 PRO 76 -19.610 -2.721 6.824 615 2HD PRO 76 HD1 PRO 76 -20.073 -3.952 8.015 616 H ASP 77 HN ASP 77 -22.021 -6.254 4.027 617 HA ASP 77 HA ASP 77 -23.228 -6.437 2.049 618 1HB ASP 77 HB2 ASP 77 -23.921 -3.503 2.245 619 2HB ASP 77 HB1 ASP 77 -24.640 -4.709 1.186 620 H ARG 78 HN ARG 78 -20.473 -5.258 2.767 621 HA ARG 78 HA ARG 78 -19.786 -4.572 0.005 622 1HB ARG 78 HB2 ARG 78 -19.936 -2.463 1.282 623 2HB ARG 78 HB1 ARG 78 -18.764 -3.088 2.431 624 1HG ARG 78 HG2 ARG 78 -17.049 -3.130 0.750 625 2HG ARG 78 HG1 ARG 78 -18.212 -2.677 -0.498 626 1HD ARG 78 HD2 ARG 78 -18.279 -0.499 0.161 627 2HD ARG 78 HD1 ARG 78 -17.976 -0.888 1.853 628 HE ARG 78 HE ARG 78 -15.684 -1.428 0.283 629 1HH1 ARG 78 1HH1 ARG 78 -17.508 1.211 1.655 630 2HH1 ARG 78 2HH1 ARG 78 -16.141 2.269 1.755 631 1HH2 ARG 78 1HH2 ARG 78 -13.883 -0.037 0.414 632 2HH2 ARG 78 2HH2 ARG 78 -14.084 1.561 1.050 633 H HIS 79 HN HIS 79 -17.657 -5.153 -0.611 634 HA HIS 79 HA HIS 79 -16.244 -6.876 1.315 635 1HB HIS 79 HB2 HIS 79 -17.577 -7.880 -0.803 636 2HB HIS 79 HB1 HIS 79 -16.026 -7.545 -1.566 637 HD1 HIS 79 HD1 HIS 79 -14.444 -8.271 1.185 638 HD2 HIS 79 HD2 HIS 79 -17.123 -10.646 -0.923 639 HE1 HIS 79 HE1 HIS 79 -13.894 -10.638 1.828 640 HE2 HIS 79 HE2 HIS 79 -15.583 -12.053 0.606 641 H ILE 80 HN ILE 80 -14.539 -5.614 1.846 642 HA ILE 80 HA ILE 80 -12.986 -4.417 -0.337 643 HB ILE 80 HB ILE 80 -13.661 -2.697 1.138 644 1HG1 ILE 80 2HG1 ILE 80 -10.961 -3.308 2.275 645 2HG1 ILE 80 1HG1 ILE 80 -11.131 -2.986 0.553 646 1HG2 ILE 80 1HG2 ILE 80 -14.428 -3.999 3.003 647 2HG2 ILE 80 2HG2 ILE 80 -13.270 -2.804 3.585 648 3HG2 ILE 80 3HG2 ILE 80 -12.780 -4.487 3.395 649 1HD1 ILE 80 1HD1 ILE 80 -10.500 -1.004 1.893 650 2HD1 ILE 80 2HD1 ILE 80 -12.051 -1.121 2.724 651 3HD1 ILE 80 3HD1 ILE 80 -12.002 -0.799 0.991 652 H THR 81 HN THR 81 -11.308 -5.647 -0.899 653 HA THR 81 HA THR 81 -10.016 -7.353 1.088 654 HB THR 81 HB THR 81 -8.732 -7.730 -1.348 655 HG1 THR 81 HG1 THR 81 -10.095 -7.404 -2.898 656 1HG2 THR 81 1HG2 THR 81 -9.319 -9.831 -0.995 657 2HG2 THR 81 2HG2 THR 81 -11.033 -9.441 -1.154 658 3HG2 THR 81 3HG2 THR 81 -10.230 -9.270 0.407 659 H LEU 82 HN LEU 82 -8.280 -6.605 2.143 660 HA LEU 82 HA LEU 82 -6.688 -4.487 0.863 661 1HB LEU 82 HB2 LEU 82 -7.859 -4.578 3.367 662 2HB LEU 82 HB1 LEU 82 -6.178 -4.946 3.693 663 HG LEU 82 HG LEU 82 -6.362 -2.617 3.943 664 1HD1 LEU 82 1HD1 LEU 82 -4.646 -3.656 2.140 665 2HD1 LEU 82 2HD1 LEU 82 -4.657 -1.962 2.630 666 3HD1 LEU 82 3HD1 LEU 82 -5.471 -2.456 1.145 667 1HD2 LEU 82 1HD2 LEU 82 -7.592 -1.164 2.622 668 2HD2 LEU 82 2HD2 LEU 82 -8.600 -2.611 2.661 669 3HD2 LEU 82 3HD2 LEU 82 -7.606 -2.266 1.246 670 H TRP 83 HN TRP 83 -4.868 -5.174 -0.026 671 HA TRP 83 HA TRP 83 -3.429 -7.410 1.241 672 1HB TRP 83 HB2 TRP 83 -3.394 -6.498 -1.642 673 2HB TRP 83 HB1 TRP 83 -2.386 -7.781 -0.984 674 HD1 TRP 83 HD1 TRP 83 -6.109 -7.376 -0.164 675 HE1 TRP 83 HE1 TRP 83 -7.367 -9.439 -1.025 676 HE3 TRP 83 HE3 TRP 83 -2.270 -9.682 -2.611 677 HZ2 TRP 83 HZ2 TRP 83 -6.806 -11.754 -2.548 678 HZ3 TRP 83 HZ3 TRP 83 -2.711 -11.820 -3.746 679 HH2 TRP 83 HH2 TRP 83 -4.932 -12.834 -3.714 680 H PHE 84 HN PHE 84 -1.595 -6.942 2.185 681 HA PHE 84 HA PHE 84 -0.205 -4.454 1.444 682 1HB PHE 84 HB2 PHE 84 -0.018 -6.044 4.013 683 2HB PHE 84 HB1 PHE 84 0.908 -4.599 3.656 684 HD1 PHE 84 HD1 PHE 84 0.199 -2.911 5.054 685 HD2 PHE 84 HD2 PHE 84 -2.712 -5.414 3.204 686 HE1 PHE 84 HE1 PHE 84 -1.597 -1.523 5.995 687 HE2 PHE 84 HE2 PHE 84 -4.504 -4.027 4.144 688 HZ PHE 84 HZ PHE 84 -3.953 -2.079 5.540 689 H TRP 85 HN TRP 85 1.376 -4.849 0.026 690 HA TRP 85 HA TRP 85 2.791 -7.398 0.152 691 1HB TRP 85 HB2 TRP 85 2.615 -5.286 -1.988 692 2HB TRP 85 HB1 TRP 85 3.696 -6.673 -2.095 693 HD1 TRP 85 HD1 TRP 85 -0.102 -6.017 -1.627 694 HE1 TRP 85 HE1 TRP 85 -1.384 -7.908 -2.812 695 HE3 TRP 85 HE3 TRP 85 3.866 -8.848 -3.166 696 HZ2 TRP 85 HZ2 TRP 85 -0.792 -10.286 -4.214 697 HZ3 TRP 85 HZ3 TRP 85 3.423 -10.917 -4.421 698 HH2 TRP 85 HH2 TRP 85 1.141 -11.620 -4.934 699 H LEU 86 HN LEU 86 5.029 -7.587 0.175 700 HA LEU 86 HA LEU 86 6.377 -5.395 1.537 701 1HB LEU 86 HB2 LEU 86 6.538 -7.548 2.574 702 2HB LEU 86 HB1 LEU 86 7.121 -8.276 1.090 703 HG LEU 86 HG LEU 86 9.195 -6.947 1.266 704 1HD1 LEU 86 1HD1 LEU 86 8.858 -5.033 2.434 705 2HD1 LEU 86 2HD1 LEU 86 9.457 -6.038 3.753 706 3HD1 LEU 86 3HD1 LEU 86 7.723 -5.784 3.556 707 1HD2 LEU 86 1HD2 LEU 86 8.831 -8.338 3.887 708 2HD2 LEU 86 2HD2 LEU 86 10.217 -8.347 2.797 709 3HD2 LEU 86 3HD2 LEU 86 8.761 -9.251 2.380 710 H VAL 87 HN VAL 87 8.003 -4.247 0.728 711 HA VAL 87 HA VAL 87 9.061 -4.920 -1.946 712 HB VAL 87 HB VAL 87 8.682 -2.159 -0.876 713 1HG1 VAL 87 1HG1 VAL 87 10.051 -1.662 -2.556 714 2HG1 VAL 87 2HG1 VAL 87 8.714 -2.069 -3.628 715 3HG1 VAL 87 3HG1 VAL 87 9.930 -3.282 -3.235 716 1HG2 VAL 87 1HG2 VAL 87 6.757 -2.058 -2.495 717 2HG2 VAL 87 2HG2 VAL 87 6.494 -3.111 -1.104 718 3HG2 VAL 87 3HG2 VAL 87 6.911 -3.811 -2.672 719 H GLU 88 HN GLU 88 11.269 -4.496 -2.313 720 HA GLU 88 HA GLU 88 12.679 -3.980 0.197 721 1HB GLU 88 HB2 GLU 88 13.115 -6.169 -0.795 722 2HB GLU 88 HB1 GLU 88 13.695 -5.396 -2.264 723 1HG GLU 88 HG2 GLU 88 15.621 -6.003 -1.093 724 2HG GLU 88 HG1 GLU 88 15.441 -4.273 -0.805 725 H ARG 89 HN ARG 89 12.632 -2.832 -3.192 726 HA ARG 89 HA ARG 89 13.904 -0.420 -2.331 727 1HB ARG 89 HB2 ARG 89 16.040 -0.746 -2.867 728 2HB ARG 89 HB1 ARG 89 15.660 -2.456 -2.983 729 1HG ARG 89 HG2 ARG 89 15.249 -2.203 -5.380 730 2HG ARG 89 HG1 ARG 89 15.620 -0.483 -5.261 731 1HD ARG 89 HD2 ARG 89 17.609 -2.491 -4.299 732 2HD ARG 89 HD1 ARG 89 17.450 -2.185 -6.027 733 HE ARG 89 HE ARG 89 18.339 -0.071 -5.723 734 1HH1 ARG 89 1HH1 ARG 89 17.811 -1.605 -2.628 735 2HH1 ARG 89 2HH1 ARG 89 18.746 -0.439 -1.754 736 1HH2 ARG 89 1HH2 ARG 89 19.568 1.457 -4.571 737 2HH2 ARG 89 2HH2 ARG 89 19.742 1.298 -2.855 738 H TRP 90 HN TRP 90 14.308 1.112 -4.167 739 HA TRP 90 HA TRP 90 12.907 0.513 -6.614 740 1HB TRP 90 HB2 TRP 90 11.165 2.049 -6.450 741 2HB TRP 90 HB1 TRP 90 11.216 1.339 -4.843 742 HD1 TRP 90 HD1 TRP 90 12.454 4.522 -6.670 743 HE1 TRP 90 HE1 TRP 90 12.426 6.459 -4.980 744 HE3 TRP 90 HE3 TRP 90 11.118 1.918 -2.480 745 HZ2 TRP 90 HZ2 TRP 90 11.893 6.835 -2.243 746 HZ3 TRP 90 HZ3 TRP 90 10.862 3.147 -0.363 747 HH2 TRP 90 HH2 TRP 90 11.246 5.555 -0.247 748 H GLU 91 HN GLU 91 13.848 1.459 -8.306 749 HA GLU 91 HA GLU 91 16.090 3.195 -7.862 750 1HB GLU 91 HB2 GLU 91 14.774 2.141 -10.364 751 2HB GLU 91 HB1 GLU 91 16.172 3.206 -10.397 752 1HG GLU 91 HG2 GLU 91 17.069 1.313 -8.714 753 2HG GLU 91 HG1 GLU 91 15.976 0.353 -9.709 754 H GLY 92 HN GLY 92 16.255 5.356 -8.156 755 1HA GLY 92 HA2 GLY 92 15.636 7.534 -8.551 756 2HA GLY 92 HA1 GLY 92 14.429 6.915 -9.667 757 H GLU 93 HN GLU 93 12.504 7.713 -9.164 758 HA GLU 93 HA GLU 93 11.707 7.727 -6.331 759 1HB GLU 93 HB2 GLU 93 11.183 9.811 -8.446 760 2HB GLU 93 HB1 GLU 93 10.270 9.731 -6.946 761 1HG GLU 93 HG2 GLU 93 12.672 9.762 -5.875 762 2HG GLU 93 HG1 GLU 93 13.096 10.515 -7.412 763 HA PRO 94 HA PRO 94 8.261 5.342 -7.800 764 1HB PRO 94 HB2 PRO 94 6.765 5.987 -5.409 765 2HB PRO 94 HB1 PRO 94 7.579 4.477 -5.821 766 1HG PRO 94 HG2 PRO 94 8.400 6.130 -3.811 767 2HG PRO 94 HG1 PRO 94 9.488 5.050 -4.700 768 1HD PRO 94 HD2 PRO 94 9.020 7.989 -5.061 769 2HD PRO 94 HD1 PRO 94 10.548 7.081 -5.083 770 H TRP 95 HN TRP 95 6.682 5.889 -9.180 771 HA TRP 95 HA TRP 95 5.097 8.268 -8.539 772 1HB TRP 95 HB2 TRP 95 5.050 8.791 -11.011 773 2HB TRP 95 HB1 TRP 95 6.573 9.090 -10.190 774 HD1 TRP 95 HD1 TRP 95 8.649 7.584 -10.884 775 HE1 TRP 95 HE1 TRP 95 9.136 6.159 -12.976 776 HE3 TRP 95 HE3 TRP 95 3.883 7.112 -12.655 777 HZ2 TRP 95 HZ2 TRP 95 7.684 5.012 -15.102 778 HZ3 TRP 95 HZ3 TRP 95 3.517 5.845 -14.729 779 HH2 TRP 95 HH2 TRP 95 5.378 4.806 -15.920 780 H GLY 96 HN GLY 96 5.261 5.617 -10.902 781 1HA GLY 96 HA2 GLY 96 3.552 4.406 -11.891 782 2HA GLY 96 HA1 GLY 96 3.036 4.210 -10.228 783 H LYS 97 HN LYS 97 1.260 5.287 -9.479 784 HA LYS 97 HA LYS 97 0.060 7.523 -10.641 785 1HB LYS 97 HB2 LYS 97 -0.270 5.395 -12.314 786 2HB LYS 97 HB1 LYS 97 -1.729 5.290 -11.339 787 1HG LYS 97 HG2 LYS 97 -0.900 7.873 -12.604 788 2HG LYS 97 HG1 LYS 97 -1.797 6.652 -13.510 789 1HD LYS 97 HD2 LYS 97 -3.592 7.749 -12.693 790 2HD LYS 97 HD1 LYS 97 -3.280 6.767 -11.260 791 1HE LYS 97 HE2 LYS 97 -3.557 9.002 -10.512 792 2HE LYS 97 HE1 LYS 97 -1.834 8.643 -10.418 793 1HZ LYS 97 HZ1 LYS 97 -2.761 9.826 -12.906 794 2HZ LYS 97 HZ2 LYS 97 -1.348 10.122 -12.027 795 3HZ LYS 97 HZ3 LYS 97 -2.805 10.834 -11.549 796 H GLU 98 HN GLU 98 0.579 6.359 -8.050 797 HA GLU 98 HA GLU 98 -1.788 5.375 -6.849 798 1HB GLU 98 HB2 GLU 98 -0.543 6.516 -4.743 799 2HB GLU 98 HB1 GLU 98 -0.094 4.953 -5.404 800 1HG GLU 98 HG2 GLU 98 1.828 6.425 -4.949 801 2HG GLU 98 HG1 GLU 98 1.720 5.919 -6.630 802 H GLY 99 HN GLY 99 -0.685 8.575 -7.648 803 1HA GLY 99 HA2 GLY 99 -1.906 10.532 -7.750 804 2HA GLY 99 HA1 GLY 99 -3.286 9.663 -7.103 805 H GLN 100 HN GLN 100 -0.494 9.300 -5.189 806 HA GLN 100 HA GLN 100 -1.155 11.624 -3.533 807 1HB GLN 100 HB2 GLN 100 -1.432 8.759 -2.754 808 2HB GLN 100 HB1 GLN 100 -0.854 9.897 -1.545 809 1HG GLN 100 HG2 GLN 100 -2.842 11.141 -1.607 810 2HG GLN 100 HG1 GLN 100 -3.367 10.378 -3.108 811 1HE2 GLN 100 1HE2 GLN 100 -5.350 9.987 -1.931 812 2HE2 GLN 100 2HE2 GLN 100 -5.466 8.609 -0.896 813 HA PRO 101 HA PRO 101 3.364 11.763 -4.121 814 1HB PRO 101 HB2 PRO 101 2.641 13.969 -2.220 815 2HB PRO 101 HB1 PRO 101 3.815 13.982 -3.545 816 1HG PRO 101 HG2 PRO 101 1.451 15.095 -3.892 817 2HG PRO 101 HG1 PRO 101 2.143 14.085 -5.177 818 1HD PRO 101 HD2 PRO 101 -0.057 13.474 -3.262 819 2HD PRO 101 HD1 PRO 101 0.163 12.939 -4.941 820 H GLY 102 HN GLY 102 4.983 10.956 -2.850 821 1HA GLY 102 HA2 GLY 102 4.426 10.626 0.027 822 2HA GLY 102 HA1 GLY 102 4.970 9.261 -0.933 823 H GLU 103 HN GLU 103 6.481 9.669 1.125 824 HA GLU 103 HA GLU 103 8.960 10.701 0.004 825 1HB GLU 103 HB2 GLU 103 8.115 12.635 1.197 826 2HB GLU 103 HB1 GLU 103 7.813 11.666 2.632 827 1HG GLU 103 HG2 GLU 103 10.061 11.509 3.158 828 2HG GLU 103 HG1 GLU 103 10.575 11.884 1.515 829 H TRP 104 HN TRP 104 10.866 9.932 1.186 830 HA TRP 104 HA TRP 104 10.554 7.228 2.011 831 1HB TRP 104 HB2 TRP 104 13.059 8.754 2.630 832 2HB TRP 104 HB1 TRP 104 12.881 7.108 2.036 833 HD1 TRP 104 HD1 TRP 104 11.010 7.932 -0.501 834 HE1 TRP 104 HE1 TRP 104 12.159 9.019 -2.534 835 HE3 TRP 104 HE3 TRP 104 15.278 9.596 1.770 836 HZ2 TRP 104 HZ2 TRP 104 14.558 10.397 -3.099 837 HZ3 TRP 104 HZ3 TRP 104 16.949 10.788 0.413 838 HH2 TRP 104 HH2 TRP 104 16.595 11.179 -1.971 839 H MET 105 HN MET 105 9.545 6.770 3.866 840 HA MET 105 HA MET 105 10.424 8.186 6.298 841 1HB MET 105 HB2 MET 105 7.797 6.845 6.387 842 2HB MET 105 HB1 MET 105 8.306 8.372 7.087 843 1HG MET 105 HG2 MET 105 7.579 7.898 4.207 844 2HG MET 105 HG1 MET 105 6.586 8.709 5.416 845 1HE MET 105 HE1 MET 105 7.553 11.012 6.714 846 2HE MET 105 HE2 MET 105 6.361 11.097 5.418 847 3HE MET 105 HE3 MET 105 7.708 12.234 5.453 848 H SER 106 HN SER 106 10.577 6.958 8.222 849 HA SER 106 HA SER 106 11.530 4.293 7.791 850 1HB SER 106 HB2 SER 106 11.913 6.263 9.740 851 2HB SER 106 HB1 SER 106 11.092 4.951 10.585 852 HG SER 106 HG SER 106 13.388 4.726 10.566 853 H LEU 107 HN LEU 107 10.241 2.593 7.571 854 HA LEU 107 HA LEU 107 7.517 2.655 8.509 855 1HB LEU 107 HB2 LEU 107 8.157 1.603 6.369 856 2HB LEU 107 HB1 LEU 107 9.059 0.387 7.253 857 HG LEU 107 HG LEU 107 6.860 -0.219 8.387 858 1HD1 LEU 107 1HD1 LEU 107 5.365 0.824 6.092 859 2HD1 LEU 107 2HD1 LEU 107 5.931 2.053 7.223 860 3HD1 LEU 107 3HD1 LEU 107 4.917 0.729 7.795 861 1HD2 LEU 107 1HD2 LEU 107 7.098 -1.924 6.985 862 2HD2 LEU 107 2HD2 LEU 107 7.909 -0.898 5.802 863 3HD2 LEU 107 3HD2 LEU 107 6.151 -1.028 5.797 864 H VAL 108 HN VAL 108 10.519 1.592 9.768 865 HA VAL 108 HA VAL 108 9.788 -0.559 11.371 866 HB VAL 108 HB VAL 108 12.117 0.162 11.068 867 1HG1 VAL 108 1HG1 VAL 108 12.975 2.145 11.753 868 2HG1 VAL 108 2HG1 VAL 108 11.893 2.261 13.142 869 3HG1 VAL 108 3HG1 VAL 108 11.304 2.663 11.528 870 1HG2 VAL 108 1HG2 VAL 108 11.216 -1.157 13.112 871 2HG2 VAL 108 2HG2 VAL 108 11.589 0.315 14.008 872 3HG2 VAL 108 3HG2 VAL 108 12.867 -0.539 13.144 873 H GLY 109 HN GLY 109 8.924 2.762 11.637 874 1HA GLY 109 HA2 GLY 109 7.594 2.173 14.195 875 2HA GLY 109 HA1 GLY 109 8.514 3.656 14.001 876 H LEU 110 HN LEU 110 6.227 1.955 11.874 877 HA LEU 110 HA LEU 110 5.031 4.309 10.908 878 1HB LEU 110 HB2 LEU 110 4.881 2.259 9.656 879 2HB LEU 110 HB1 LEU 110 4.040 1.461 10.971 880 HG LEU 110 HG LEU 110 2.748 3.875 9.825 881 1HD1 LEU 110 1HD1 LEU 110 1.777 2.595 7.988 882 2HD1 LEU 110 2HD1 LEU 110 2.804 1.221 8.396 883 3HD1 LEU 110 3HD1 LEU 110 3.528 2.723 7.822 884 1HD2 LEU 110 1HD2 LEU 110 1.845 1.206 10.880 885 2HD2 LEU 110 2HD2 LEU 110 0.751 2.375 10.140 886 3HD2 LEU 110 3HD2 LEU 110 1.625 2.795 11.611 887 H ASN 111 HN ASN 111 2.978 5.234 11.344 888 HA ASN 111 HA ASN 111 1.996 4.649 14.051 889 1HB ASN 111 HB2 ASN 111 2.859 7.096 12.853 890 2HB ASN 111 HB1 ASN 111 1.153 7.233 13.263 891 1HD2 ASN 111 1HD2 ASN 111 3.753 8.327 14.393 892 2HD2 ASN 111 2HD2 ASN 111 3.622 8.026 16.089 893 H ALA 112 HN ALA 112 -0.053 4.163 14.377 894 HA ALA 112 HA ALA 112 -1.767 3.670 12.156 895 1HB ALA 112 HB1 ALA 112 -3.199 2.630 13.649 896 2HB ALA 112 HB2 ALA 112 -2.751 3.695 14.981 897 3HB ALA 112 HB3 ALA 112 -1.634 2.442 14.441 898 H ASP 113 HN ASP 113 -1.132 6.413 14.072 899 HA ASP 113 HA ASP 113 -3.733 7.615 13.891 900 1HB ASP 113 HB2 ASP 113 -1.636 8.039 15.532 901 2HB ASP 113 HB1 ASP 113 -1.363 9.330 14.365 902 H ASP 114 HN ASP 114 -0.600 8.181 12.285 903 HA ASP 114 HA ASP 114 -1.566 10.226 10.581 904 1HB ASP 114 HB2 ASP 114 0.610 8.983 9.282 905 2HB ASP 114 HB1 ASP 114 0.621 10.469 10.213 906 H PHE 115 HN PHE 115 -1.605 6.764 10.388 907 HA PHE 115 HA PHE 115 -2.429 6.844 7.586 908 1HB PHE 115 HB2 PHE 115 -1.523 4.785 7.423 909 2HB PHE 115 HB1 PHE 115 -0.847 5.072 9.025 910 HD1 PHE 115 HD1 PHE 115 -2.893 4.708 10.862 911 HD2 PHE 115 HD2 PHE 115 -2.322 2.657 7.195 912 HE1 PHE 115 HE1 PHE 115 -4.135 2.789 11.761 913 HE2 PHE 115 HE2 PHE 115 -3.561 0.727 8.079 914 HZ PHE 115 HZ PHE 115 -4.469 0.800 10.366 915 HA PRO 116 HA PRO 116 -6.734 6.204 8.317 916 1HB PRO 116 HB2 PRO 116 -7.410 4.027 6.819 917 2HB PRO 116 HB1 PRO 116 -7.072 5.617 6.125 918 1HG PRO 116 HG2 PRO 116 -5.284 3.227 6.342 919 2HG PRO 116 HG1 PRO 116 -5.507 4.337 4.978 920 1HD PRO 116 HD2 PRO 116 -3.395 4.516 6.645 921 2HD PRO 116 HD1 PRO 116 -4.133 5.948 5.901 922 HA PRO 117 HA PRO 117 -6.745 3.295 11.741 923 1HB PRO 117 HB2 PRO 117 -9.300 3.789 12.565 924 2HB PRO 117 HB1 PRO 117 -7.927 4.832 12.953 925 1HG PRO 117 HG2 PRO 117 -9.993 5.139 10.807 926 2HG PRO 117 HG1 PRO 117 -9.318 6.367 11.895 927 1HD PRO 117 HD2 PRO 117 -8.493 6.117 9.345 928 2HD PRO 117 HD1 PRO 117 -7.383 6.589 10.649 929 H ALA 118 HN ALA 118 -8.945 3.295 9.060 930 HA ALA 118 HA ALA 118 -10.387 0.949 9.762 931 1HB ALA 118 HB1 ALA 118 -10.140 2.650 7.351 932 2HB ALA 118 HB2 ALA 118 -11.578 2.132 8.232 933 3HB ALA 118 HB3 ALA 118 -10.763 1.014 7.138 934 H ASN 119 HN ASN 119 -7.210 1.361 8.785 935 HA ASN 119 HA ASN 119 -7.085 -1.393 7.745 936 1HB ASN 119 HB2 ASN 119 -5.968 1.127 6.807 937 2HB ASN 119 HB1 ASN 119 -4.739 -0.123 6.964 938 1HD2 ASN 119 1HD2 ASN 119 -8.122 -0.679 6.202 939 2HD2 ASN 119 2HD2 ASN 119 -7.859 -1.245 4.593 940 H GLU 120 HN GLU 120 -6.993 -0.607 10.554 941 HA GLU 120 HA GLU 120 -4.274 -0.687 11.419 942 1HB GLU 120 HB2 GLU 120 -5.174 0.115 13.275 943 2HB GLU 120 HB1 GLU 120 -6.763 -0.059 12.563 944 1HG GLU 120 HG2 GLU 120 -6.758 -2.430 13.436 945 2HG GLU 120 HG1 GLU 120 -5.313 -1.991 14.347 946 HA PRO 121 HA PRO 121 -5.853 -5.295 12.642 947 1HB PRO 121 HB2 PRO 121 -6.791 -5.681 9.825 948 2HB PRO 121 HB1 PRO 121 -7.338 -6.472 11.308 949 1HG PRO 121 HG2 PRO 121 -8.774 -4.518 10.217 950 2HG PRO 121 HG1 PRO 121 -8.600 -4.641 11.977 951 1HD PRO 121 HD2 PRO 121 -7.352 -2.724 10.080 952 2HD PRO 121 HD1 PRO 121 -7.804 -2.498 11.782 953 H VAL 122 HN VAL 122 -4.688 -4.164 9.500 954 HA VAL 122 HA VAL 122 -2.847 -6.343 9.169 955 HB VAL 122 HB VAL 122 -2.738 -3.717 7.696 956 1HG1 VAL 122 1HG1 VAL 122 -1.444 -6.310 7.467 957 2HG1 VAL 122 2HG1 VAL 122 -1.004 -4.757 6.758 958 3HG1 VAL 122 3HG1 VAL 122 -2.192 -5.787 5.959 959 1HG2 VAL 122 1HG2 VAL 122 -4.782 -4.090 6.900 960 2HG2 VAL 122 2HG2 VAL 122 -4.875 -5.659 7.697 961 3HG2 VAL 122 3HG2 VAL 122 -4.137 -5.523 6.101 962 H ILE 123 HN ILE 123 -2.674 -2.950 10.128 963 HA ILE 123 HA ILE 123 0.149 -2.866 10.408 964 HB ILE 123 HB ILE 123 -1.918 -1.112 11.739 965 1HG1 ILE 123 2HG1 ILE 123 -1.857 -1.306 9.151 966 2HG1 ILE 123 1HG1 ILE 123 -1.856 0.293 9.884 967 1HG2 ILE 123 1HG2 ILE 123 0.120 0.509 11.568 968 2HG2 ILE 123 2HG2 ILE 123 1.053 -0.986 11.501 969 3HG2 ILE 123 3HG2 ILE 123 0.022 -0.651 12.893 970 1HD1 ILE 123 1HD1 ILE 123 0.135 0.802 9.045 971 2HD1 ILE 123 2HD1 ILE 123 -0.119 -0.578 7.972 972 3HD1 ILE 123 3HD1 ILE 123 0.816 -0.775 9.456 973 H ALA 124 HN ALA 124 -2.491 -3.706 12.579 974 HA ALA 124 HA ALA 124 -1.166 -3.596 15.018 975 1HB ALA 124 HB1 ALA 124 -3.446 -4.006 15.175 976 2HB ALA 124 HB2 ALA 124 -2.744 -5.565 15.606 977 3HB ALA 124 HB3 ALA 124 -3.397 -5.309 13.988 978 H LYS 125 HN LYS 125 -0.861 -5.841 12.389 979 HA LYS 125 HA LYS 125 0.527 -7.846 13.931 980 1HB LYS 125 HB2 LYS 125 -0.728 -7.753 11.428 981 2HB LYS 125 HB1 LYS 125 0.971 -8.039 11.080 982 1HG LYS 125 HG2 LYS 125 -0.248 -10.129 11.289 983 2HG LYS 125 HG1 LYS 125 0.960 -9.972 12.566 984 1HD LYS 125 HD2 LYS 125 -1.187 -8.864 13.777 985 2HD LYS 125 HD1 LYS 125 -1.981 -10.045 12.734 986 1HE LYS 125 HE2 LYS 125 -1.176 -11.804 13.896 987 2HE LYS 125 HE1 LYS 125 0.379 -11.029 14.192 988 1HZ LYS 125 HZ1 LYS 125 -0.324 -10.157 16.129 989 2HZ LYS 125 HZ2 LYS 125 -1.439 -11.427 16.083 990 3HZ LYS 125 HZ3 LYS 125 -1.900 -9.881 15.580 991 H LEU 126 HN LEU 126 1.501 -5.506 11.417 992 HA LEU 126 HA LEU 126 4.288 -6.116 11.730 993 1HB LEU 126 HB2 LEU 126 2.854 -5.076 9.708 994 2HB LEU 126 HB1 LEU 126 3.469 -3.595 10.414 995 HG LEU 126 HG LEU 126 5.752 -4.316 10.086 996 1HD1 LEU 126 1HD1 LEU 126 6.267 -6.471 10.052 997 2HD1 LEU 126 2HD1 LEU 126 5.502 -6.609 8.469 998 3HD1 LEU 126 3HD1 LEU 126 4.564 -6.911 9.931 999 1HD2 LEU 126 1HD2 LEU 126 5.581 -4.749 7.510 1000 2HD2 LEU 126 2HD2 LEU 126 5.092 -3.198 8.192 1001 3HD2 LEU 126 3HD2 LEU 126 3.872 -4.402 7.774 1002 H LYS 127 HN LYS 127 2.095 -3.697 12.956 1003 HA LYS 127 HA LYS 127 3.830 -1.730 13.828 1004 1HB LYS 127 HB2 LYS 127 1.354 -1.665 13.903 1005 2HB LYS 127 HB1 LYS 127 1.392 -2.719 15.302 1006 1HG LYS 127 HG2 LYS 127 2.263 -1.087 16.676 1007 2HG LYS 127 HG1 LYS 127 2.908 -0.149 15.328 1008 1HD LYS 127 HD2 LYS 127 1.071 1.103 16.021 1009 2HD LYS 127 HD1 LYS 127 0.439 0.175 14.659 1010 1HE LYS 127 HE2 LYS 127 0.210 -1.129 17.286 1011 2HE LYS 127 HE1 LYS 127 -0.749 0.337 17.089 1012 1HZ LYS 127 HZ1 LYS 127 -1.635 -2.027 16.368 1013 2HZ LYS 127 HZ2 LYS 127 -0.843 -1.625 14.929 1014 3HZ LYS 127 HZ3 LYS 127 -2.063 -0.620 15.532 1015 H ARG 128 HN ARG 128 2.883 -4.739 15.417 1016 HA ARG 128 HA ARG 128 4.402 -4.255 17.784 1017 1HB ARG 128 HB2 ARG 128 2.493 -5.774 17.814 1018 2HB ARG 128 HB1 ARG 128 3.275 -6.818 16.636 1019 1HG ARG 128 HG2 ARG 128 4.924 -7.493 18.197 1020 2HG ARG 128 HG1 ARG 128 4.445 -6.241 19.344 1021 1HD ARG 128 HD2 ARG 128 2.602 -8.448 18.455 1022 2HD ARG 128 HD1 ARG 128 3.656 -8.586 19.862 1023 HE ARG 128 HE ARG 128 2.279 -6.263 20.263 1024 1HH1 ARG 128 1HH1 ARG 128 1.379 -9.585 19.683 1025 2HH1 ARG 128 2HH1 ARG 128 -0.096 -9.473 20.582 1026 1HH2 ARG 128 1HH2 ARG 128 0.339 -6.114 21.446 1027 2HH2 ARG 128 2HH2 ARG 128 -0.687 -7.502 21.583 1028 H LEU 129 HN LEU 129 5.292 -4.886 14.652 1029 HA LEU 129 HA LEU 129 7.174 -5.653 13.622 1030 1HB LEU 129 HB2 LEU 129 8.495 -4.910 16.226 1031 2HB LEU 129 HB1 LEU 129 9.261 -5.020 14.654 1032 HG LEU 129 HG LEU 129 7.248 -3.174 14.233 1033 1HD1 LEU 129 1HD1 LEU 129 7.256 -1.613 16.002 1034 2HD1 LEU 129 2HD1 LEU 129 8.549 -2.464 16.847 1035 3HD1 LEU 129 3HD1 LEU 129 6.943 -3.184 16.740 1036 1HD2 LEU 129 1HD2 LEU 129 8.962 -1.841 13.606 1037 2HD2 LEU 129 2HD2 LEU 129 9.892 -3.327 13.800 1038 3HD2 LEU 129 3HD2 LEU 129 9.872 -2.125 15.090 1039 1HO1 MO2 130 1HO1 MO2 130 -5.391 2.724 -6.871 1040 2HO1 MO2 130 2HO1 MO2 130 -5.229 2.795 -11.240 1041 1HO2 MO2 130 1HO2 MO2 130 -4.541 3.968 -6.993 1042 2HO2 MO2 130 2HO2 MO2 130 -5.603 3.832 -10.203 1043 1H5* 8OG 131 1H5* 8OG 131 -13.242 4.860 -3.233 1044 2H5* 8OG 131 2H5* 8OG 131 -12.897 4.801 -1.532 1045 H4* 8OG 131 1H4* 8OG 131 -11.307 3.590 -3.784 1046 H3* 8OG 131 1H3* 8OG 131 -13.423 2.502 -2.248 1047 1H2* 8OG 131 1H2* 8OG 131 -12.384 1.188 -0.766 1048 2H2* 8OG 131 2H2* 8OG 131 -11.447 0.452 -2.047 1049 H1* 8OG 131 1H1* 8OG 131 -9.634 1.573 -1.458 1050 H1 8OG 131 H1 8OG 131 -6.430 0.845 3.508 1051 H7 8OG 131 H7 8OG 131 -11.113 2.556 3.341 1052 1H2 8OG 131 H21 8OG 131 -5.510 0.374 0.167 1053 2H2 8OG 131 H22 8OG 131 -5.031 0.263 1.827 1054 H3T 8OG 131 *HO1 8OG 131 -11.697 1.346 -4.236 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -25.056 -4.598 -3.884 2 2H MET 1 HT2 MET 1 -23.921 -3.362 -3.526 3 3H MET 1 HT3 MET 1 -24.917 -4.001 -2.283 4 HA MET 1 HA MET 1 -22.908 -4.990 -1.935 5 1HB MET 1 HB2 MET 1 -24.515 -6.850 -3.701 6 2HB MET 1 HB1 MET 1 -23.332 -7.340 -2.495 7 1HG MET 1 HG2 MET 1 -25.314 -7.650 -1.380 8 2HG MET 1 HG1 MET 1 -24.844 -6.038 -0.846 9 1HE MET 1 HE1 MET 1 -28.822 -7.113 -2.297 10 2HE MET 1 HE2 MET 1 -27.778 -7.665 -0.986 11 3HE MET 1 HE3 MET 1 -27.481 -8.206 -2.638 12 H LYS 2 HN LYS 2 -21.488 -3.602 -3.274 13 HA LYS 2 HA LYS 2 -20.558 -4.974 -5.708 14 1HB LYS 2 HB2 LYS 2 -21.359 -2.483 -5.690 15 2HB LYS 2 HB1 LYS 2 -19.774 -2.170 -5.000 16 1HG LYS 2 HG2 LYS 2 -19.641 -1.828 -7.351 17 2HG LYS 2 HG1 LYS 2 -18.762 -3.310 -6.967 18 1HD LYS 2 HD2 LYS 2 -20.319 -4.657 -7.975 19 2HD LYS 2 HD1 LYS 2 -21.639 -3.518 -7.701 20 1HE LYS 2 HE2 LYS 2 -19.456 -2.654 -9.508 21 2HE LYS 2 HE1 LYS 2 -20.540 -3.912 -10.103 22 1HZ LYS 2 HZ1 LYS 2 -22.336 -2.235 -9.211 23 2HZ LYS 2 HZ2 LYS 2 -21.672 -2.071 -10.758 24 3HZ LYS 2 HZ3 LYS 2 -21.104 -1.109 -9.488 25 H LYS 3 HN LYS 3 -19.002 -6.359 -5.084 26 HA LYS 3 HA LYS 3 -17.208 -5.873 -2.934 27 1HB LYS 3 HB2 LYS 3 -16.025 -7.890 -3.780 28 2HB LYS 3 HB1 LYS 3 -17.749 -8.142 -3.547 29 1HG LYS 3 HG2 LYS 3 -16.973 -7.278 -6.243 30 2HG LYS 3 HG1 LYS 3 -16.379 -8.868 -5.758 31 1HD LYS 3 HD2 LYS 3 -19.196 -8.346 -5.107 32 2HD LYS 3 HD1 LYS 3 -18.830 -8.396 -6.833 33 1HE LYS 3 HE2 LYS 3 -17.459 -10.559 -5.960 34 2HE LYS 3 HE1 LYS 3 -18.807 -10.547 -4.824 35 1HZ LYS 3 HZ1 LYS 3 -19.216 -11.866 -6.860 36 2HZ LYS 3 HZ2 LYS 3 -19.121 -10.446 -7.774 37 3HZ LYS 3 HZ3 LYS 3 -20.349 -10.631 -6.626 38 H LEU 4 HN LEU 4 -15.248 -4.947 -2.893 39 HA LEU 4 HA LEU 4 -13.976 -4.262 -5.454 40 1HB LEU 4 HB2 LEU 4 -13.265 -2.101 -4.386 41 2HB LEU 4 HB1 LEU 4 -14.971 -2.231 -4.763 42 HG LEU 4 HG LEU 4 -15.048 -3.068 -2.218 43 1HD1 LEU 4 1HD1 LEU 4 -12.806 -2.899 -1.613 44 2HD1 LEU 4 2HD1 LEU 4 -13.524 -1.417 -0.983 45 3HD1 LEU 4 3HD1 LEU 4 -12.588 -1.378 -2.478 46 1HD2 LEU 4 1HD2 LEU 4 -15.986 -0.951 -3.585 47 2HD2 LEU 4 2HD2 LEU 4 -14.882 -0.134 -2.478 48 3HD2 LEU 4 3HD2 LEU 4 -16.177 -1.149 -1.842 49 H GLN 5 HN GLN 5 -11.779 -4.427 -5.523 50 HA GLN 5 HA GLN 5 -10.501 -5.580 -3.148 51 1HB GLN 5 HB2 GLN 5 -9.351 -5.738 -5.911 52 2HB GLN 5 HB1 GLN 5 -9.080 -6.801 -4.542 53 1HG GLN 5 HG2 GLN 5 -11.360 -7.646 -4.749 54 2HG GLN 5 HG1 GLN 5 -11.624 -6.575 -6.116 55 1HE2 GLN 5 1HE2 GLN 5 -9.445 -9.132 -5.000 56 2HE2 GLN 5 2HE2 GLN 5 -9.225 -9.864 -6.550 57 H ILE 6 HN ILE 6 -8.453 -4.962 -2.532 58 HA ILE 6 HA ILE 6 -7.237 -2.632 -3.789 59 HB ILE 6 HB ILE 6 -6.961 -2.213 -0.997 60 1HG1 ILE 6 2HG1 ILE 6 -9.120 -3.563 -0.888 61 2HG1 ILE 6 1HG1 ILE 6 -9.164 -1.964 -0.159 62 1HG2 ILE 6 1HG2 ILE 6 -7.798 -0.047 -1.493 63 2HG2 ILE 6 2HG2 ILE 6 -8.618 -0.631 -2.940 64 3HG2 ILE 6 3HG2 ILE 6 -6.857 -0.585 -2.884 65 1HD1 ILE 6 1HD1 ILE 6 -10.882 -3.043 -2.101 66 2HD1 ILE 6 2HD1 ILE 6 -9.958 -1.765 -2.889 67 3HD1 ILE 6 3HD1 ILE 6 -10.882 -1.413 -1.429 68 H ALA 7 HN ALA 7 -5.117 -2.990 -4.023 69 HA ALA 7 HA ALA 7 -3.802 -4.806 -2.094 70 1HB ALA 7 HB1 ALA 7 -3.832 -4.863 -5.050 71 2HB ALA 7 HB2 ALA 7 -3.680 -6.184 -3.894 72 3HB ALA 7 HB3 ALA 7 -2.283 -5.178 -4.272 73 H VAL 8 HN VAL 8 -2.148 -3.878 -1.055 74 HA VAL 8 HA VAL 8 -0.914 -1.522 -2.313 75 HB VAL 8 HB VAL 8 -1.702 -0.440 -0.523 76 1HG1 VAL 8 1HG1 VAL 8 -1.820 -3.040 0.999 77 2HG1 VAL 8 2HG1 VAL 8 -3.156 -2.255 0.158 78 3HG1 VAL 8 3HG1 VAL 8 -2.434 -1.490 1.573 79 1HG2 VAL 8 1HG2 VAL 8 0.488 -1.920 0.933 80 2HG2 VAL 8 2HG2 VAL 8 -0.241 -0.390 1.422 81 3HG2 VAL 8 3HG2 VAL 8 0.704 -0.481 -0.064 82 H GLY 9 HN GLY 9 1.273 -1.092 -1.875 83 1HA GLY 9 HA2 GLY 9 2.879 -3.370 -0.944 84 2HA GLY 9 HA1 GLY 9 3.205 -2.679 -2.525 85 H ILE 10 HN ILE 10 3.917 -2.522 0.741 86 HA ILE 10 HA ILE 10 4.559 0.251 0.948 87 HB ILE 10 HB ILE 10 6.110 -1.545 2.689 88 1HG1 ILE 10 2HG1 ILE 10 3.086 -1.624 2.694 89 2HG1 ILE 10 1HG1 ILE 10 4.190 -2.986 2.547 90 1HG2 ILE 10 1HG2 ILE 10 4.108 0.507 3.541 91 2HG2 ILE 10 2HG2 ILE 10 5.645 0.994 2.826 92 3HG2 ILE 10 3HG2 ILE 10 5.624 0.038 4.309 93 1HD1 ILE 10 1HD1 ILE 10 4.972 -2.025 4.924 94 2HD1 ILE 10 2HD1 ILE 10 3.705 -3.236 4.725 95 3HD1 ILE 10 3HD1 ILE 10 3.277 -1.538 4.937 96 H ILE 11 HN ILE 11 5.939 1.031 -0.541 97 HA ILE 11 HA ILE 11 8.153 -0.435 -1.555 98 HB ILE 11 HB ILE 11 8.081 2.537 -1.775 99 1HG1 ILE 11 2HG1 ILE 11 6.126 0.616 -3.035 100 2HG1 ILE 11 1HG1 ILE 11 5.782 2.112 -2.174 101 1HG2 ILE 11 1HG2 ILE 11 9.712 0.694 -2.822 102 2HG2 ILE 11 2HG2 ILE 11 9.323 2.208 -3.641 103 3HG2 ILE 11 3HG2 ILE 11 8.475 0.724 -4.077 104 1HD1 ILE 11 1HD1 ILE 11 7.122 1.908 -4.857 105 2HD1 ILE 11 2HD1 ILE 11 6.720 3.398 -4.004 106 3HD1 ILE 11 3HD1 ILE 11 5.434 2.336 -4.577 107 H ARG 12 HN ARG 12 10.093 -0.703 -0.762 108 HA ARG 12 HA ARG 12 10.946 0.884 1.541 109 1HB ARG 12 HB2 ARG 12 11.451 -1.839 0.573 110 2HB ARG 12 HB1 ARG 12 12.884 -1.024 1.181 111 1HG ARG 12 HG2 ARG 12 10.724 -0.585 2.990 112 2HG ARG 12 HG1 ARG 12 10.857 -2.307 2.641 113 1HD ARG 12 HD2 ARG 12 13.402 -0.918 3.138 114 2HD ARG 12 HD1 ARG 12 12.313 -1.017 4.521 115 HE ARG 12 HE ARG 12 13.777 -3.167 3.312 116 1HH1 ARG 12 1HH1 ARG 12 10.945 -2.350 5.180 117 2HH1 ARG 12 2HH1 ARG 12 10.811 -3.920 5.896 118 1HH2 ARG 12 1HH2 ARG 12 13.601 -5.235 4.252 119 2HH2 ARG 12 2HH2 ARG 12 12.318 -5.558 5.370 120 H ASN 13 HN ASN 13 12.690 2.161 1.562 121 HA ASN 13 HA ASN 13 13.918 2.772 -1.019 122 1HB ASN 13 HB2 ASN 13 14.897 4.735 0.355 123 2HB ASN 13 HB1 ASN 13 13.188 4.750 -0.035 124 1HD2 ASN 13 1HD2 ASN 13 11.815 5.055 1.554 125 2HD2 ASN 13 2HD2 ASN 13 12.174 4.920 3.235 126 H GLU 14 HN GLU 14 16.251 3.842 -0.463 127 HA GLU 14 HA GLU 14 17.968 1.608 -0.106 128 1HB GLU 14 HB2 GLU 14 18.490 3.316 -1.715 129 2HB GLU 14 HB1 GLU 14 18.469 4.559 -0.466 130 1HG GLU 14 HG2 GLU 14 20.504 3.849 0.432 131 2HG GLU 14 HG1 GLU 14 20.415 2.279 -0.366 132 H ASN 15 HN ASN 15 16.507 3.466 2.234 133 HA ASN 15 HA ASN 15 18.779 3.076 4.072 134 1HB ASN 15 HB2 ASN 15 18.122 5.482 3.554 135 2HB ASN 15 HB1 ASN 15 16.630 5.160 4.433 136 1HD2 ASN 15 1HD2 ASN 15 16.838 6.288 6.245 137 2HD2 ASN 15 2HD2 ASN 15 18.159 6.168 7.353 138 H ASN 16 HN ASN 16 16.950 1.032 3.591 139 HA ASN 16 HA ASN 16 15.441 -0.375 4.572 140 1HB ASN 16 HB2 ASN 16 15.903 -0.911 6.869 141 2HB ASN 16 HB1 ASN 16 17.430 -0.514 6.091 142 1HD2 ASN 16 1HD2 ASN 16 18.668 1.010 6.965 143 2HD2 ASN 16 2HD2 ASN 16 18.202 2.049 8.264 144 H GLU 17 HN GLU 17 14.618 2.464 4.176 145 HA GLU 17 HA GLU 17 12.467 2.595 6.175 146 1HB GLU 17 HB2 GLU 17 13.694 4.798 4.499 147 2HB GLU 17 HB1 GLU 17 12.272 5.002 5.503 148 1HG GLU 17 HG2 GLU 17 13.935 4.022 7.339 149 2HG GLU 17 HG1 GLU 17 15.114 4.762 6.259 150 H ILE 18 HN ILE 18 10.346 3.355 5.279 151 HA ILE 18 HA ILE 18 10.043 2.361 2.521 152 HB ILE 18 HB ILE 18 8.904 1.366 4.843 153 1HG1 ILE 18 2HG1 ILE 18 7.515 0.742 2.316 154 2HG1 ILE 18 1HG1 ILE 18 9.263 0.553 2.294 155 1HG2 ILE 18 1HG2 ILE 18 6.555 1.708 4.728 156 2HG2 ILE 18 2HG2 ILE 18 6.705 2.634 3.235 157 3HG2 ILE 18 3HG2 ILE 18 7.316 3.299 4.750 158 1HD1 ILE 18 1HD1 ILE 18 9.162 -0.977 4.152 159 2HD1 ILE 18 2HD1 ILE 18 8.096 -1.523 2.858 160 3HD1 ILE 18 3HD1 ILE 18 7.421 -0.738 4.285 161 H PHE 19 HN PHE 19 8.774 3.434 1.090 162 HA PHE 19 HA PHE 19 8.052 6.175 1.811 163 1HB PHE 19 HB2 PHE 19 9.330 6.354 -0.086 164 2HB PHE 19 HB1 PHE 19 8.851 4.775 -0.689 165 HD1 PHE 19 HD1 PHE 19 8.259 8.323 -0.801 166 HD2 PHE 19 HD2 PHE 19 6.645 4.522 -1.832 167 HE1 PHE 19 HE1 PHE 19 6.743 9.405 -2.409 168 HE2 PHE 19 HE2 PHE 19 5.124 5.599 -3.440 169 HZ PHE 19 HZ PHE 19 5.173 8.044 -3.729 170 H ILE 20 HN ILE 20 6.005 6.552 2.348 171 HA ILE 20 HA ILE 20 3.894 4.993 1.009 172 HB ILE 20 HB ILE 20 2.878 6.074 3.436 173 1HG1 ILE 20 2HG1 ILE 20 4.336 4.488 4.933 174 2HG1 ILE 20 1HG1 ILE 20 5.560 4.762 3.699 175 1HG2 ILE 20 1HG2 ILE 20 1.783 4.226 2.670 176 2HG2 ILE 20 2HG2 ILE 20 2.789 3.500 3.923 177 3HG2 ILE 20 3HG2 ILE 20 3.271 3.388 2.231 178 1HD1 ILE 20 1HD1 ILE 20 5.991 6.816 4.442 179 2HD1 ILE 20 2HD1 ILE 20 5.118 6.324 5.895 180 3HD1 ILE 20 3HD1 ILE 20 4.281 7.209 4.618 181 H THR 21 HN THR 21 1.957 6.091 0.522 182 HA THR 21 HA THR 21 2.348 8.889 -0.071 183 HB THR 21 HB THR 21 0.239 8.728 -1.261 184 HG1 THR 21 HG1 THR 21 -1.193 7.386 -0.574 185 1HG2 THR 21 1HG2 THR 21 2.460 7.334 -1.982 186 2HG2 THR 21 2HG2 THR 21 1.031 7.569 -2.988 187 3HG2 THR 21 3HG2 THR 21 1.208 6.094 -2.038 188 H ARG 22 HN ARG 22 2.009 10.370 1.466 189 HA ARG 22 HA ARG 22 -0.085 9.864 3.461 190 1HB ARG 22 HB2 ARG 22 1.028 11.480 4.859 191 2HB ARG 22 HB1 ARG 22 2.223 10.336 4.268 192 1HG ARG 22 HG2 ARG 22 3.190 11.887 2.836 193 2HG ARG 22 HG1 ARG 22 1.773 12.938 2.861 194 1HD ARG 22 HD2 ARG 22 2.916 14.143 4.358 195 2HD ARG 22 HD1 ARG 22 2.489 12.870 5.500 196 HE ARG 22 HE ARG 22 5.086 13.381 4.344 197 1HH1 ARG 22 1HH1 ARG 22 3.051 11.059 5.975 198 2HH1 ARG 22 2HH1 ARG 22 4.381 10.136 6.583 199 1HH2 ARG 22 1HH2 ARG 22 6.834 12.166 5.145 200 2HH2 ARG 22 2HH2 ARG 22 6.529 10.762 6.114 201 H ARG 23 HN ARG 23 -1.214 11.918 4.239 202 HA ARG 23 HA ARG 23 -2.498 13.102 1.970 203 1HB ARG 23 HB2 ARG 23 -2.767 13.420 4.941 204 2HB ARG 23 HB1 ARG 23 -3.571 14.547 3.859 205 1HG ARG 23 HG2 ARG 23 -3.978 11.570 4.006 206 2HG ARG 23 HG1 ARG 23 -5.118 12.832 4.475 207 1HD ARG 23 HD2 ARG 23 -4.195 12.078 1.717 208 2HD ARG 23 HD1 ARG 23 -5.837 12.075 2.361 209 HE ARG 23 HE ARG 23 -4.395 14.320 1.283 210 1HH1 ARG 23 1HH1 ARG 23 -7.008 13.324 3.372 211 2HH1 ARG 23 2HH1 ARG 23 -7.859 14.826 3.230 212 1HH2 ARG 23 1HH2 ARG 23 -5.512 16.294 1.096 213 2HH2 ARG 23 2HH2 ARG 23 -7.010 16.512 1.937 214 H ALA 24 HN ALA 24 -0.053 13.762 1.448 215 HA ALA 24 HA ALA 24 1.499 15.392 1.149 216 1HB ALA 24 HB1 ALA 24 -1.146 16.748 0.993 217 2HB ALA 24 HB2 ALA 24 0.049 16.454 -0.270 218 3HB ALA 24 HB3 ALA 24 0.317 17.730 0.918 219 H ALA 25 HN ALA 25 0.890 14.703 3.965 220 HA ALA 25 HA ALA 25 1.281 15.437 6.093 221 1HB ALA 25 HB1 ALA 25 3.517 15.533 5.740 222 2HB ALA 25 HB2 ALA 25 3.238 17.250 6.031 223 3HB ALA 25 HB3 ALA 25 3.368 16.646 4.379 224 H ASP 26 HN ASP 26 -0.796 16.884 4.580 225 HA ASP 26 HA ASP 26 -0.602 19.641 5.410 226 1HB ASP 26 HB2 ASP 26 -2.844 19.868 4.435 227 2HB ASP 26 HB1 ASP 26 -1.745 19.062 3.319 228 H ALA 27 HN ALA 27 -2.886 20.442 6.398 229 HA ALA 27 HA ALA 27 -3.157 18.946 8.917 230 1HB ALA 27 HB1 ALA 27 -3.973 21.807 8.520 231 2HB ALA 27 HB2 ALA 27 -2.311 21.357 8.903 232 3HB ALA 27 HB3 ALA 27 -3.613 20.959 10.024 233 H HIS 28 HN HIS 28 -4.603 18.355 6.428 234 HA HIS 28 HA HIS 28 -7.353 19.036 7.217 235 1HB HIS 28 HB2 HIS 28 -6.070 18.370 4.597 236 2HB HIS 28 HB1 HIS 28 -7.780 18.019 4.825 237 HD1 HIS 28 HD1 HIS 28 -7.083 20.958 6.724 238 HD2 HIS 28 HD2 HIS 28 -7.731 20.154 2.699 239 HE1 HIS 28 HE1 HIS 28 -7.705 23.165 5.690 240 HE2 HIS 28 HE2 HIS 28 -8.177 22.637 3.272 241 H MET 29 HN MET 29 -5.143 16.402 6.610 242 HA MET 29 HA MET 29 -6.621 14.584 8.185 243 1HB MET 29 HB2 MET 29 -7.974 14.692 6.009 244 2HB MET 29 HB1 MET 29 -6.624 13.850 5.264 245 1HG MET 29 HG2 MET 29 -7.409 11.914 5.972 246 2HG MET 29 HG1 MET 29 -7.325 12.469 7.643 247 1HE MET 29 HE1 MET 29 -10.681 11.749 8.602 248 2HE MET 29 HE2 MET 29 -8.945 11.460 8.705 249 3HE MET 29 HE3 MET 29 -9.934 10.503 7.602 250 H ALA 30 HN ALA 30 -4.002 15.439 8.188 251 HA ALA 30 HA ALA 30 -2.179 13.808 6.818 252 1HB ALA 30 HB1 ALA 30 -2.063 15.579 9.191 253 2HB ALA 30 HB2 ALA 30 -1.107 15.601 7.709 254 3HB ALA 30 HB3 ALA 30 -0.749 14.424 8.972 255 H ASN 31 HN ASN 31 -4.318 13.015 9.343 256 HA ASN 31 HA ASN 31 -2.688 10.909 10.460 257 1HB ASN 31 HB2 ASN 31 -5.112 12.297 11.184 258 2HB ASN 31 HB1 ASN 31 -5.350 10.555 11.291 259 1HD2 ASN 31 1HD2 ASN 31 -2.499 12.567 11.887 260 2HD2 ASN 31 2HD2 ASN 31 -2.276 12.068 13.527 261 H LYS 32 HN LYS 32 -3.920 11.032 7.542 262 HA LYS 32 HA LYS 32 -4.967 8.290 7.607 263 1HB LYS 32 HB2 LYS 32 -5.850 10.678 6.168 264 2HB LYS 32 HB1 LYS 32 -5.683 9.261 5.138 265 1HG LYS 32 HG2 LYS 32 -7.070 8.041 6.906 266 2HG LYS 32 HG1 LYS 32 -7.468 9.651 7.511 267 1HD LYS 32 HD2 LYS 32 -9.163 9.534 6.036 268 2HD LYS 32 HD1 LYS 32 -7.927 9.964 4.853 269 1HE LYS 32 HE2 LYS 32 -8.636 7.128 5.582 270 2HE LYS 32 HE1 LYS 32 -9.359 8.000 4.230 271 1HZ LYS 32 HZ1 LYS 32 -6.458 7.451 4.564 272 2HZ LYS 32 HZ2 LYS 32 -7.172 8.247 3.253 273 3HZ LYS 32 HZ3 LYS 32 -7.501 6.611 3.529 274 H LEU 33 HN LEU 33 -2.193 9.187 7.481 275 HA LEU 33 HA LEU 33 -0.962 9.049 5.034 276 1HB LEU 33 HB2 LEU 33 -0.020 9.274 7.450 277 2HB LEU 33 HB1 LEU 33 0.111 7.534 7.384 278 HG LEU 33 HG LEU 33 1.678 9.607 5.938 279 1HD1 LEU 33 1HD1 LEU 33 2.458 8.445 8.004 280 2HD1 LEU 33 2HD1 LEU 33 3.533 8.285 6.616 281 3HD1 LEU 33 3HD1 LEU 33 2.485 6.944 7.077 282 1HD2 LEU 33 1HD2 LEU 33 1.391 6.779 4.926 283 2HD2 LEU 33 2HD2 LEU 33 2.434 8.039 4.269 284 3HD2 LEU 33 3HD2 LEU 33 0.682 8.197 4.153 285 H GLU 34 HN GLU 34 -1.749 7.648 3.499 286 HA GLU 34 HA GLU 34 -1.909 4.804 4.221 287 1HB GLU 34 HB2 GLU 34 -3.807 6.317 3.047 288 2HB GLU 34 HB1 GLU 34 -2.981 5.713 1.618 289 1HG GLU 34 HG2 GLU 34 -3.665 3.580 1.949 290 2HG GLU 34 HG1 GLU 34 -3.671 3.736 3.705 291 H PHE 35 HN PHE 35 -1.677 3.459 2.003 292 HA PHE 35 HA PHE 35 0.938 4.210 0.881 293 1HB PHE 35 HB2 PHE 35 0.503 1.377 0.689 294 2HB PHE 35 HB1 PHE 35 1.805 2.243 1.488 295 HD1 PHE 35 HD1 PHE 35 -1.809 1.492 2.108 296 HD2 PHE 35 HD2 PHE 35 2.134 1.741 3.686 297 HE1 PHE 35 HE1 PHE 35 -2.637 0.717 4.292 298 HE2 PHE 35 HE2 PHE 35 1.315 0.973 5.871 299 HZ PHE 35 HZ PHE 35 -1.074 0.458 6.177 300 HA PRO 36 HA PRO 36 -0.594 3.688 -3.224 301 1HB PRO 36 HB2 PRO 36 1.365 2.292 -4.473 302 2HB PRO 36 HB1 PRO 36 1.559 3.979 -3.992 303 1HG PRO 36 HG2 PRO 36 2.515 1.500 -2.619 304 2HG PRO 36 HG1 PRO 36 3.368 3.032 -2.882 305 1HD PRO 36 HD2 PRO 36 2.206 2.396 -0.522 306 2HD PRO 36 HD1 PRO 36 2.316 4.066 -1.111 307 H GLY 37 HN GLY 37 -1.217 2.075 -4.912 308 1HA GLY 37 HA2 GLY 37 -1.620 -0.206 -5.536 309 2HA GLY 37 HA1 GLY 37 -1.473 -0.639 -3.859 310 H GLY 38 HN GLY 38 -3.428 1.515 -5.771 311 1HA GLY 38 HA2 GLY 38 -5.846 0.428 -4.484 312 2HA GLY 38 HA1 GLY 38 -5.657 2.141 -4.850 313 H LYS 39 HN LYS 39 -7.419 -0.303 -5.806 314 HA LYS 39 HA LYS 39 -8.800 -0.369 -7.648 315 1HB LYS 39 HB2 LYS 39 -8.036 1.858 -8.394 316 2HB LYS 39 HB1 LYS 39 -6.652 1.103 -9.169 317 1HG LYS 39 HG2 LYS 39 -7.825 0.597 -10.968 318 2HG LYS 39 HG1 LYS 39 -9.098 -0.154 -10.008 319 1HD LYS 39 HD2 LYS 39 -9.914 1.739 -11.376 320 2HD LYS 39 HD1 LYS 39 -10.153 1.989 -9.646 321 1HE LYS 39 HE2 LYS 39 -7.597 3.000 -10.642 322 2HE LYS 39 HE1 LYS 39 -9.000 3.778 -11.375 323 1HZ LYS 39 HZ1 LYS 39 -7.911 4.456 -9.001 324 2HZ LYS 39 HZ2 LYS 39 -9.198 3.472 -8.518 325 3HZ LYS 39 HZ3 LYS 39 -9.490 4.830 -9.484 326 H ILE 40 HN ILE 40 -6.087 -1.918 -6.957 327 HA ILE 40 HA ILE 40 -5.195 -3.200 -9.234 328 HB ILE 40 HB ILE 40 -4.330 -4.917 -7.927 329 1HG1 ILE 40 2HG1 ILE 40 -5.884 -4.478 -5.458 330 2HG1 ILE 40 1HG1 ILE 40 -6.822 -5.119 -6.800 331 1HG2 ILE 40 1HG2 ILE 40 -4.478 -2.993 -5.703 332 2HG2 ILE 40 2HG2 ILE 40 -3.905 -2.365 -7.244 333 3HG2 ILE 40 3HG2 ILE 40 -3.077 -3.722 -6.482 334 1HD1 ILE 40 1HD1 ILE 40 -4.279 -6.481 -6.409 335 2HD1 ILE 40 2HD1 ILE 40 -5.902 -7.131 -6.633 336 3HD1 ILE 40 3HD1 ILE 40 -5.381 -6.600 -5.037 337 H GLU 41 HN GLU 41 -8.115 -3.535 -7.504 338 HA GLU 41 HA GLU 41 -9.153 -5.946 -8.146 339 1HB GLU 41 HB2 GLU 41 -11.385 -4.571 -8.434 340 2HB GLU 41 HB1 GLU 41 -10.598 -4.704 -6.876 341 1HG GLU 41 HG2 GLU 41 -10.393 -2.511 -6.737 342 2HG GLU 41 HG1 GLU 41 -9.540 -2.434 -8.267 343 H MET 42 HN MET 42 -10.299 -3.216 -10.072 344 HA MET 42 HA MET 42 -11.103 -3.221 -12.236 345 1HB MET 42 HB2 MET 42 -8.201 -4.005 -12.464 346 2HB MET 42 HB1 MET 42 -9.182 -3.596 -13.864 347 1HG MET 42 HG2 MET 42 -9.233 -1.649 -11.660 348 2HG MET 42 HG1 MET 42 -7.689 -1.832 -12.492 349 1HE MET 42 HE1 MET 42 -7.829 -2.403 -14.979 350 2HE MET 42 HE2 MET 42 -8.036 -0.914 -15.901 351 3HE MET 42 HE3 MET 42 -9.281 -2.161 -15.950 352 H GLY 43 HN GLY 43 -8.824 -5.853 -12.812 353 1HA GLY 43 HA2 GLY 43 -10.764 -7.934 -12.824 354 2HA GLY 43 HA1 GLY 43 -10.470 -7.339 -14.443 355 H GLU 44 HN GLU 44 -8.025 -7.401 -11.988 356 HA GLU 44 HA GLU 44 -6.426 -9.162 -13.673 357 1HB GLU 44 HB2 GLU 44 -5.863 -7.266 -11.452 358 2HB GLU 44 HB1 GLU 44 -4.747 -8.605 -11.679 359 1HG GLU 44 HG2 GLU 44 -3.741 -7.090 -13.019 360 2HG GLU 44 HG1 GLU 44 -4.862 -7.776 -14.194 361 H THR 45 HN THR 45 -4.821 -10.544 -12.107 362 HA THR 45 HA THR 45 -6.635 -12.383 -10.720 363 HB THR 45 HB THR 45 -3.904 -13.324 -10.990 364 HG1 THR 45 HG1 THR 45 -3.629 -13.173 -13.121 365 1HG2 THR 45 1HG2 THR 45 -5.265 -15.104 -10.886 366 2HG2 THR 45 2HG2 THR 45 -5.303 -14.903 -12.638 367 3HG2 THR 45 3HG2 THR 45 -6.613 -14.260 -11.646 368 HA PRO 46 HA PRO 46 -5.375 -11.565 -6.582 369 1HB PRO 46 HB2 PRO 46 -4.311 -14.130 -5.973 370 2HB PRO 46 HB1 PRO 46 -5.929 -13.529 -5.618 371 1HG PRO 46 HG2 PRO 46 -4.995 -15.217 -7.874 372 2HG PRO 46 HG1 PRO 46 -6.568 -15.197 -7.055 373 1HD PRO 46 HD2 PRO 46 -6.279 -14.149 -9.488 374 2HD PRO 46 HD1 PRO 46 -7.318 -13.363 -8.283 375 H GLU 47 HN GLU 47 -3.122 -13.052 -8.815 376 HA GLU 47 HA GLU 47 -0.864 -12.118 -7.190 377 1HB GLU 47 HB2 GLU 47 -1.273 -14.344 -9.060 378 2HB GLU 47 HB1 GLU 47 0.257 -13.502 -9.267 379 1HG GLU 47 HG2 GLU 47 -0.396 -14.106 -6.486 380 2HG GLU 47 HG1 GLU 47 -0.213 -15.529 -7.509 381 H GLN 48 HN GLN 48 -2.245 -11.896 -10.452 382 HA GLN 48 HA GLN 48 -0.172 -10.122 -11.371 383 1HB GLN 48 HB2 GLN 48 -2.825 -10.854 -12.622 384 2HB GLN 48 HB1 GLN 48 -1.536 -9.959 -13.417 385 1HG GLN 48 HG2 GLN 48 -1.390 -12.800 -12.435 386 2HG GLN 48 HG1 GLN 48 -1.530 -12.275 -14.112 387 1HE2 GLN 48 1HE2 GLN 48 0.235 -10.760 -14.831 388 2HE2 GLN 48 2HE2 GLN 48 1.842 -11.139 -14.320 389 H ALA 49 HN ALA 49 -3.010 -9.724 -9.556 390 HA ALA 49 HA ALA 49 -3.954 -7.251 -10.454 391 1HB ALA 49 HB1 ALA 49 -3.980 -8.065 -7.567 392 2HB ALA 49 HB2 ALA 49 -5.012 -8.844 -8.766 393 3HB ALA 49 HB3 ALA 49 -5.168 -7.116 -8.459 394 H VAL 50 HN VAL 50 -1.611 -7.967 -7.869 395 HA VAL 50 HA VAL 50 -1.015 -5.180 -7.489 396 HB VAL 50 HB VAL 50 0.414 -5.805 -5.763 397 1HG1 VAL 50 1HG1 VAL 50 -1.012 -8.283 -5.333 398 2HG1 VAL 50 2HG1 VAL 50 -2.087 -7.005 -5.901 399 3HG1 VAL 50 3HG1 VAL 50 -1.110 -6.757 -4.455 400 1HG2 VAL 50 1HG2 VAL 50 1.916 -7.233 -7.019 401 2HG2 VAL 50 2HG2 VAL 50 0.702 -8.510 -7.067 402 3HG2 VAL 50 3HG2 VAL 50 1.428 -8.042 -5.530 403 H VAL 51 HN VAL 51 0.647 -7.955 -8.935 404 HA VAL 51 HA VAL 51 3.049 -6.715 -9.589 405 HB VAL 51 HB VAL 51 1.673 -8.876 -11.188 406 1HG1 VAL 51 1HG1 VAL 51 3.453 -8.590 -12.512 407 2HG1 VAL 51 2HG1 VAL 51 4.366 -9.376 -11.224 408 3HG1 VAL 51 3HG1 VAL 51 4.305 -7.616 -11.314 409 1HG2 VAL 51 1HG2 VAL 51 2.241 -9.030 -8.532 410 2HG2 VAL 51 2HG2 VAL 51 3.734 -9.641 -9.244 411 3HG2 VAL 51 3HG2 VAL 51 2.195 -10.409 -9.630 412 H ARG 52 HN ARG 52 0.039 -6.932 -11.449 413 HA ARG 52 HA ARG 52 1.157 -5.480 -13.646 414 1HB ARG 52 HB2 ARG 52 -0.845 -7.206 -13.578 415 2HB ARG 52 HB1 ARG 52 -1.795 -5.753 -13.291 416 1HG ARG 52 HG2 ARG 52 0.113 -5.630 -15.535 417 2HG ARG 52 HG1 ARG 52 -1.257 -6.725 -15.730 418 1HD ARG 52 HD2 ARG 52 -2.814 -4.944 -15.350 419 2HD ARG 52 HD1 ARG 52 -1.513 -3.836 -14.912 420 HE ARG 52 HE ARG 52 -1.194 -3.425 -17.131 421 1HH1 ARG 52 1HH1 ARG 52 -2.911 -6.446 -16.813 422 2HH1 ARG 52 2HH1 ARG 52 -3.150 -6.634 -18.518 423 1HH2 ARG 52 1HH2 ARG 52 -1.507 -3.670 -19.373 424 2HH2 ARG 52 2HH2 ARG 52 -2.352 -5.058 -19.972 425 H GLU 53 HN GLU 53 -1.095 -4.744 -11.023 426 HA GLU 53 HA GLU 53 -1.578 -2.070 -11.828 427 1HB GLU 53 HB2 GLU 53 -2.947 -3.550 -10.224 428 2HB GLU 53 HB1 GLU 53 -1.797 -3.050 -8.991 429 1HG GLU 53 HG2 GLU 53 -3.362 -1.107 -10.659 430 2HG GLU 53 HG1 GLU 53 -3.940 -1.742 -9.120 431 H LEU 54 HN LEU 54 0.977 -3.608 -10.052 432 HA LEU 54 HA LEU 54 1.983 -1.511 -8.540 433 1HB LEU 54 HB2 LEU 54 2.906 -4.053 -9.451 434 2HB LEU 54 HB1 LEU 54 4.184 -2.885 -9.706 435 HG LEU 54 HG LEU 54 4.399 -2.423 -7.426 436 1HD1 LEU 54 1HD1 LEU 54 1.587 -3.287 -7.289 437 2HD1 LEU 54 2HD1 LEU 54 2.435 -2.025 -6.395 438 3HD1 LEU 54 3HD1 LEU 54 2.586 -3.711 -5.897 439 1HD2 LEU 54 1HD2 LEU 54 4.066 -5.247 -8.166 440 2HD2 LEU 54 2HD2 LEU 54 4.110 -4.910 -6.437 441 3HD2 LEU 54 3HD2 LEU 54 5.451 -4.410 -7.469 442 H GLN 55 HN GLN 55 2.555 -2.295 -11.944 443 HA GLN 55 HA GLN 55 4.411 -0.246 -12.468 444 1HB GLN 55 HB2 GLN 55 4.044 -2.081 -14.036 445 2HB GLN 55 HB1 GLN 55 2.386 -1.559 -14.300 446 1HG GLN 55 HG2 GLN 55 3.846 0.689 -14.907 447 2HG GLN 55 HG1 GLN 55 4.856 -0.625 -15.510 448 1HE2 GLN 55 1HE2 GLN 55 2.557 1.484 -16.387 449 2HE2 GLN 55 2HE2 GLN 55 1.801 0.607 -17.668 450 H GLU 56 HN GLU 56 0.916 -0.345 -12.370 451 HA GLU 56 HA GLU 56 0.541 2.317 -13.381 452 1HB GLU 56 HB2 GLU 56 -1.098 0.286 -13.376 453 2HB GLU 56 HB1 GLU 56 -1.510 0.850 -11.769 454 1HG GLU 56 HG2 GLU 56 -1.589 3.127 -13.362 455 2HG GLU 56 HG1 GLU 56 -2.329 1.859 -14.339 456 H GLU 57 HN GLU 57 1.045 0.859 -10.248 457 HA GLU 57 HA GLU 57 0.367 3.421 -8.987 458 1HB GLU 57 HB2 GLU 57 -0.167 0.711 -8.274 459 2HB GLU 57 HB1 GLU 57 0.824 1.435 -7.017 460 1HG GLU 57 HG2 GLU 57 -1.656 1.597 -6.691 461 2HG GLU 57 HG1 GLU 57 -0.767 3.112 -6.580 462 H VAL 58 HN VAL 58 2.996 2.121 -10.229 463 HA VAL 58 HA VAL 58 4.749 3.337 -8.216 464 HB VAL 58 HB VAL 58 5.392 0.763 -9.673 465 1HG1 VAL 58 1HG1 VAL 58 6.980 2.677 -8.121 466 2HG1 VAL 58 2HG1 VAL 58 7.489 1.476 -9.309 467 3HG1 VAL 58 3HG1 VAL 58 7.184 0.993 -7.641 468 1HG2 VAL 58 1HG2 VAL 58 5.495 0.245 -6.977 469 2HG2 VAL 58 2HG2 VAL 58 4.190 -0.216 -8.070 470 3HG2 VAL 58 3HG2 VAL 58 4.070 1.273 -7.132 471 H GLY 59 HN GLY 59 4.361 2.127 -11.507 472 1HA GLY 59 HA2 GLY 59 4.978 3.006 -13.512 473 2HA GLY 59 HA1 GLY 59 5.289 4.509 -12.687 474 H ILE 60 HN ILE 60 7.307 3.584 -10.989 475 HA ILE 60 HA ILE 60 9.525 3.676 -12.781 476 HB ILE 60 HB ILE 60 10.680 3.186 -10.380 477 1HG1 ILE 60 2HG1 ILE 60 8.495 5.020 -9.547 478 2HG1 ILE 60 1HG1 ILE 60 8.222 3.284 -9.471 479 1HG2 ILE 60 1HG2 ILE 60 9.815 5.971 -10.951 480 2HG2 ILE 60 2HG2 ILE 60 10.826 5.123 -12.122 481 3HG2 ILE 60 3HG2 ILE 60 11.398 5.359 -10.470 482 1HD1 ILE 60 1HD1 ILE 60 10.250 4.908 -7.996 483 2HD1 ILE 60 2HD1 ILE 60 10.390 3.158 -8.157 484 3HD1 ILE 60 3HD1 ILE 60 8.988 3.860 -7.349 485 H THR 61 HN THR 61 11.487 2.214 -11.905 486 HA THR 61 HA THR 61 10.560 -0.562 -12.119 487 HB THR 61 HB THR 61 13.111 -0.682 -12.862 488 HG1 THR 61 HG1 THR 61 12.346 1.907 -13.684 489 1HG2 THR 61 1HG2 THR 61 11.018 0.380 -14.739 490 2HG2 THR 61 2HG2 THR 61 11.177 -1.317 -14.274 491 3HG2 THR 61 3HG2 THR 61 12.471 -0.524 -15.173 492 HA PRO 62 HA PRO 62 12.831 -0.492 -8.159 493 1HB PRO 62 HB2 PRO 62 10.839 -0.758 -6.500 494 2HB PRO 62 HB1 PRO 62 10.894 0.697 -7.505 495 1HG PRO 62 HG2 PRO 62 9.184 -1.732 -7.795 496 2HG PRO 62 HG1 PRO 62 8.784 -0.034 -8.109 497 1HD PRO 62 HD2 PRO 62 9.711 -1.990 -9.990 498 2HD PRO 62 HD1 PRO 62 9.383 -0.273 -10.271 499 H GLN 63 HN GLN 63 13.658 -2.200 -6.947 500 HA GLN 63 HA GLN 63 12.860 -4.877 -7.689 501 1HB GLN 63 HB2 GLN 63 14.614 -4.169 -5.336 502 2HB GLN 63 HB1 GLN 63 14.621 -5.644 -6.291 503 1HG GLN 63 HG2 GLN 63 15.608 -4.518 -8.149 504 2HG GLN 63 HG1 GLN 63 15.435 -2.954 -7.355 505 1HE2 GLN 63 1HE2 GLN 63 17.717 -4.863 -8.290 506 2HE2 GLN 63 2HE2 GLN 63 18.843 -4.768 -6.983 507 H HIS 64 HN HIS 64 10.688 -4.567 -7.180 508 HA HIS 64 HA HIS 64 10.028 -4.624 -4.312 509 1HB HIS 64 HB2 HIS 64 9.183 -2.590 -5.149 510 2HB HIS 64 HB1 HIS 64 8.797 -3.301 -6.686 511 HD1 HIS 64 HD1 HIS 64 7.471 -5.153 -3.777 512 HD2 HIS 64 HD2 HIS 64 6.206 -2.150 -6.352 513 HE1 HIS 64 HE1 HIS 64 4.980 -5.024 -3.484 514 HE2 HIS 64 HE2 HIS 64 4.253 -3.125 -4.969 515 H PHE 65 HN PHE 65 9.022 -6.416 -3.608 516 HA PHE 65 HA PHE 65 7.077 -7.845 -5.051 517 1HB PHE 65 HB2 PHE 65 9.319 -8.310 -6.277 518 2HB PHE 65 HB1 PHE 65 9.637 -9.351 -4.903 519 HD1 PHE 65 HD1 PHE 65 8.654 -11.499 -4.746 520 HD2 PHE 65 HD2 PHE 65 7.319 -8.750 -7.708 521 HE1 PHE 65 HE1 PHE 65 7.356 -13.293 -5.822 522 HE2 PHE 65 HE2 PHE 65 6.019 -10.537 -8.788 523 HZ PHE 65 HZ PHE 65 6.036 -12.812 -7.847 524 H SER 66 HN SER 66 6.612 -10.010 -4.061 525 HA SER 66 HA SER 66 6.441 -11.487 -2.313 526 1HB SER 66 HB2 SER 66 8.182 -9.764 -0.567 527 2HB SER 66 HB1 SER 66 7.931 -11.509 -0.503 528 HG SER 66 HG SER 66 9.914 -10.332 -1.626 529 H LEU 67 HN LEU 67 5.199 -11.603 -0.354 530 HA LEU 67 HA LEU 67 3.734 -9.107 0.161 531 1HB LEU 67 HB2 LEU 67 1.766 -10.299 0.464 532 2HB LEU 67 HB1 LEU 67 2.533 -11.113 -0.885 533 HG LEU 67 HG LEU 67 3.457 -12.711 0.985 534 1HD1 LEU 67 1HD1 LEU 67 2.712 -12.337 3.037 535 2HD1 LEU 67 2HD1 LEU 67 1.070 -12.649 2.476 536 3HD1 LEU 67 3HD1 LEU 67 1.707 -11.005 2.467 537 1HD2 LEU 67 1HD2 LEU 67 1.996 -13.391 -0.838 538 2HD2 LEU 67 2HD2 LEU 67 0.596 -12.761 0.030 539 3HD2 LEU 67 3HD2 LEU 67 1.488 -14.139 0.676 540 H PHE 68 HN PHE 68 3.922 -8.227 2.099 541 HA PHE 68 HA PHE 68 5.378 -9.568 4.175 542 1HB PHE 68 HB2 PHE 68 5.828 -7.469 4.800 543 2HB PHE 68 HB1 PHE 68 4.808 -6.892 3.491 544 HD1 PHE 68 HD1 PHE 68 5.186 -7.240 7.051 545 HD2 PHE 68 HD2 PHE 68 2.398 -6.407 3.947 546 HE1 PHE 68 HE1 PHE 68 3.659 -6.236 8.697 547 HE2 PHE 68 HE2 PHE 68 0.867 -5.399 5.589 548 HZ PHE 68 HZ PHE 68 1.498 -5.304 7.967 549 H GLU 69 HN GLU 69 2.043 -8.658 3.568 550 HA GLU 69 HA GLU 69 0.996 -10.717 5.197 551 1HB GLU 69 HB2 GLU 69 1.552 -8.203 6.511 552 2HB GLU 69 HB1 GLU 69 -0.175 -8.532 6.526 553 1HG GLU 69 HG2 GLU 69 0.060 -10.431 7.802 554 2HG GLU 69 HG1 GLU 69 1.739 -10.676 7.320 555 H LYS 70 HN LYS 70 -1.257 -10.952 4.921 556 HA LYS 70 HA LYS 70 -2.626 -8.925 3.319 557 1HB LYS 70 HB2 LYS 70 -3.450 -10.663 1.741 558 2HB LYS 70 HB1 LYS 70 -1.715 -10.395 1.637 559 1HG LYS 70 HG2 LYS 70 -1.231 -12.421 2.731 560 2HG LYS 70 HG1 LYS 70 -2.899 -12.616 3.274 561 1HD LYS 70 HD2 LYS 70 -2.490 -12.420 0.355 562 2HD LYS 70 HD1 LYS 70 -1.874 -13.880 1.132 563 1HE LYS 70 HE2 LYS 70 -3.987 -14.602 0.769 564 2HE LYS 70 HE1 LYS 70 -4.286 -13.757 2.287 565 1HZ LYS 70 HZ1 LYS 70 -5.880 -12.771 1.068 566 2HZ LYS 70 HZ2 LYS 70 -5.115 -13.072 -0.410 567 3HZ LYS 70 HZ3 LYS 70 -4.614 -11.773 0.552 568 H LEU 71 HN LEU 71 -4.718 -8.683 3.905 569 HA LEU 71 HA LEU 71 -6.010 -10.863 5.382 570 1HB LEU 71 HB2 LEU 71 -6.716 -9.519 7.142 571 2HB LEU 71 HB1 LEU 71 -5.054 -9.030 6.887 572 HG LEU 71 HG LEU 71 -6.199 -7.029 7.261 573 1HD1 LEU 71 1HD1 LEU 71 -4.794 -7.174 5.116 574 2HD1 LEU 71 2HD1 LEU 71 -5.856 -5.783 5.334 575 3HD1 LEU 71 3HD1 LEU 71 -6.341 -7.104 4.274 576 1HD2 LEU 71 1HD2 LEU 71 -8.284 -7.362 5.203 577 2HD2 LEU 71 2HD2 LEU 71 -8.359 -6.591 6.787 578 3HD2 LEU 71 3HD2 LEU 71 -8.456 -8.347 6.655 579 H GLU 72 HN GLU 72 -8.414 -10.491 5.599 580 HA GLU 72 HA GLU 72 -9.513 -8.954 3.361 581 1HB GLU 72 HB2 GLU 72 -9.473 -11.023 2.318 582 2HB GLU 72 HB1 GLU 72 -9.716 -11.904 3.819 583 1HG GLU 72 HG2 GLU 72 -12.015 -11.475 3.830 584 2HG GLU 72 HG1 GLU 72 -11.871 -10.202 2.619 585 H TYR 73 HN TYR 73 -11.193 -7.770 3.970 586 HA TYR 73 HA TYR 73 -12.930 -8.699 6.128 587 1HB TYR 73 HB2 TYR 73 -12.806 -6.660 7.365 588 2HB TYR 73 HB1 TYR 73 -11.148 -7.178 7.081 589 HD1 TYR 73 HD1 TYR 73 -13.121 -4.391 7.227 590 HD2 TYR 73 HD2 TYR 73 -10.270 -6.210 4.646 591 HE1 TYR 73 HE1 TYR 73 -12.614 -2.194 6.246 592 HE2 TYR 73 HE2 TYR 73 -9.759 -4.020 3.657 593 HH TYR 73 HH TYR 73 -10.311 -1.246 4.942 594 H GLU 74 HN GLU 74 -15.050 -7.899 6.027 595 HA GLU 74 HA GLU 74 -15.664 -6.371 3.584 596 1HB GLU 74 HB2 GLU 74 -17.933 -7.638 3.767 597 2HB GLU 74 HB1 GLU 74 -16.544 -8.439 3.050 598 1HG GLU 74 HG2 GLU 74 -16.119 -9.390 5.381 599 2HG GLU 74 HG1 GLU 74 -17.756 -8.858 5.757 600 H PHE 75 HN PHE 75 -17.101 -4.756 3.691 601 HA PHE 75 HA PHE 75 -17.797 -3.775 6.333 602 1HB PHE 75 HB2 PHE 75 -17.303 -2.614 3.720 603 2HB PHE 75 HB1 PHE 75 -18.802 -2.004 4.409 604 HD1 PHE 75 HD1 PHE 75 -18.540 0.029 5.424 605 HD2 PHE 75 HD2 PHE 75 -15.420 -2.845 5.752 606 HE1 PHE 75 HE1 PHE 75 -17.256 1.591 6.825 607 HE2 PHE 75 HE2 PHE 75 -14.131 -1.289 7.157 608 HZ PHE 75 HZ PHE 75 -15.048 0.932 7.694 609 HA PRO 76 HA PRO 76 -22.085 -4.747 6.546 610 1HB PRO 76 HB2 PRO 76 -23.253 -2.193 6.519 611 2HB PRO 76 HB1 PRO 76 -22.731 -3.087 7.947 612 1HG PRO 76 HG2 PRO 76 -21.328 -0.937 6.437 613 2HG PRO 76 HG1 PRO 76 -21.329 -1.274 8.178 614 1HD PRO 76 HD2 PRO 76 -19.235 -1.906 6.640 615 2HD PRO 76 HD1 PRO 76 -19.739 -2.958 7.976 616 H ASP 77 HN ASP 77 -21.937 -5.596 4.388 617 HA ASP 77 HA ASP 77 -23.229 -5.987 2.499 618 1HB ASP 77 HB2 ASP 77 -23.857 -3.036 2.355 619 2HB ASP 77 HB1 ASP 77 -24.651 -4.350 1.494 620 H ARG 78 HN ARG 78 -20.417 -4.877 2.930 621 HA ARG 78 HA ARG 78 -19.853 -4.477 0.085 622 1HB ARG 78 HB2 ARG 78 -19.817 -2.254 1.107 623 2HB ARG 78 HB1 ARG 78 -18.684 -2.818 2.327 624 1HG ARG 78 HG2 ARG 78 -16.953 -3.077 0.729 625 2HG ARG 78 HG1 ARG 78 -18.074 -2.848 -0.615 626 1HD ARG 78 HD2 ARG 78 -17.996 -0.611 -0.455 627 2HD ARG 78 HD1 ARG 78 -18.044 -0.640 1.307 628 HE ARG 78 HE ARG 78 -15.527 -1.502 0.649 629 1HH1 ARG 78 1HH1 ARG 78 -17.424 1.357 0.012 630 2HH1 ARG 78 2HH1 ARG 78 -16.047 2.403 -0.080 631 1HH2 ARG 78 1HH2 ARG 78 -13.714 -0.126 0.530 632 2HH2 ARG 78 2HH2 ARG 78 -13.941 1.561 0.213 633 H HIS 79 HN HIS 79 -17.793 -5.212 -0.585 634 HA HIS 79 HA HIS 79 -16.372 -6.862 1.400 635 1HB HIS 79 HB2 HIS 79 -16.895 -7.498 -1.511 636 2HB HIS 79 HB1 HIS 79 -15.868 -8.450 -0.444 637 HD1 HIS 79 HD1 HIS 79 -17.074 -10.509 0.173 638 HD2 HIS 79 HD2 HIS 79 -19.614 -7.223 0.039 639 HE1 HIS 79 HE1 HIS 79 -19.330 -11.375 0.870 640 HE2 HIS 79 HE2 HIS 79 -20.831 -9.351 0.864 641 H ILE 80 HN ILE 80 -14.534 -5.782 1.816 642 HA ILE 80 HA ILE 80 -13.036 -4.676 -0.454 643 HB ILE 80 HB ILE 80 -13.596 -2.887 0.988 644 1HG1 ILE 80 2HG1 ILE 80 -10.877 -3.554 2.042 645 2HG1 ILE 80 1HG1 ILE 80 -11.099 -3.297 0.316 646 1HG2 ILE 80 1HG2 ILE 80 -13.162 -2.917 3.408 647 2HG2 ILE 80 2HG2 ILE 80 -12.648 -4.599 3.282 648 3HG2 ILE 80 3HG2 ILE 80 -14.316 -4.157 2.919 649 1HD1 ILE 80 1HD1 ILE 80 -12.059 -1.278 2.300 650 2HD1 ILE 80 2HD1 ILE 80 -11.662 -1.064 0.595 651 3HD1 ILE 80 3HD1 ILE 80 -10.376 -1.316 1.776 652 H THR 81 HN THR 81 -11.430 -5.986 -1.040 653 HA THR 81 HA THR 81 -10.146 -7.726 0.913 654 HB THR 81 HB THR 81 -8.883 -8.101 -1.526 655 HG1 THR 81 HG1 THR 81 -10.634 -8.220 -3.002 656 1HG2 THR 81 1HG2 THR 81 -11.069 -9.816 -1.601 657 2HG2 THR 81 2HG2 THR 81 -10.742 -9.547 0.110 658 3HG2 THR 81 3HG2 THR 81 -9.467 -10.151 -0.948 659 H LEU 82 HN LEU 82 -8.379 -7.041 1.971 660 HA LEU 82 HA LEU 82 -6.754 -4.932 0.713 661 1HB LEU 82 HB2 LEU 82 -7.549 -5.520 3.498 662 2HB LEU 82 HB1 LEU 82 -5.915 -4.928 3.273 663 HG LEU 82 HG LEU 82 -8.397 -3.511 2.304 664 1HD1 LEU 82 1HD1 LEU 82 -7.721 -3.775 4.890 665 2HD1 LEU 82 2HD1 LEU 82 -8.482 -2.330 4.223 666 3HD1 LEU 82 3HD1 LEU 82 -6.735 -2.377 4.458 667 1HD2 LEU 82 1HD2 LEU 82 -6.433 -1.657 2.426 668 2HD2 LEU 82 2HD2 LEU 82 -6.865 -2.547 0.965 669 3HD2 LEU 82 3HD2 LEU 82 -5.507 -3.081 1.956 670 H TRP 83 HN TRP 83 -4.952 -5.634 -0.194 671 HA TRP 83 HA TRP 83 -3.520 -7.883 1.062 672 1HB TRP 83 HB2 TRP 83 -3.479 -6.943 -1.816 673 2HB TRP 83 HB1 TRP 83 -2.459 -8.223 -1.167 674 HD1 TRP 83 HD1 TRP 83 -6.188 -7.843 -0.360 675 HE1 TRP 83 HE1 TRP 83 -7.430 -9.911 -1.227 676 HE3 TRP 83 HE3 TRP 83 -2.324 -10.130 -2.785 677 HZ2 TRP 83 HZ2 TRP 83 -6.848 -12.227 -2.743 678 HZ3 TRP 83 HZ3 TRP 83 -2.746 -12.272 -3.919 679 HH2 TRP 83 HH2 TRP 83 -4.962 -13.297 -3.897 680 H PHE 84 HN PHE 84 -1.698 -7.381 2.040 681 HA PHE 84 HA PHE 84 -0.379 -4.855 1.322 682 1HB PHE 84 HB2 PHE 84 -0.592 -6.353 3.901 683 2HB PHE 84 HB1 PHE 84 0.811 -5.330 3.624 684 HD1 PHE 84 HD1 PHE 84 0.473 -3.567 5.132 685 HD2 PHE 84 HD2 PHE 84 -2.688 -4.757 2.538 686 HE1 PHE 84 HE1 PHE 84 -0.835 -1.609 5.830 687 HE2 PHE 84 HE2 PHE 84 -3.999 -2.796 3.233 688 HZ PHE 84 HZ PHE 84 -3.074 -1.219 4.882 689 H TRP 85 HN TRP 85 1.222 -5.156 -0.066 690 HA TRP 85 HA TRP 85 2.775 -7.622 0.047 691 1HB TRP 85 HB2 TRP 85 2.496 -5.499 -2.071 692 2HB TRP 85 HB1 TRP 85 3.664 -6.813 -2.180 693 HD1 TRP 85 HD1 TRP 85 -0.173 -6.457 -1.679 694 HE1 TRP 85 HE1 TRP 85 -1.315 -8.385 -2.940 695 HE3 TRP 85 HE3 TRP 85 3.988 -8.887 -3.388 696 HZ2 TRP 85 HZ2 TRP 85 -0.555 -10.639 -4.462 697 HZ3 TRP 85 HZ3 TRP 85 3.694 -10.922 -4.739 698 HH2 TRP 85 HH2 TRP 85 1.468 -11.778 -5.264 699 H LEU 86 HN LEU 86 5.016 -7.679 0.087 700 HA LEU 86 HA LEU 86 6.234 -5.416 1.462 701 1HB LEU 86 HB2 LEU 86 6.478 -7.574 2.507 702 2HB LEU 86 HB1 LEU 86 7.152 -8.254 1.038 703 HG LEU 86 HG LEU 86 9.042 -6.528 1.336 704 1HD1 LEU 86 1HD1 LEU 86 9.445 -5.845 3.649 705 2HD1 LEU 86 2HD1 LEU 86 7.894 -6.537 4.123 706 3HD1 LEU 86 3HD1 LEU 86 7.946 -5.159 3.024 707 1HD2 LEU 86 1HD2 LEU 86 8.716 -8.825 3.261 708 2HD2 LEU 86 2HD2 LEU 86 10.240 -8.027 2.872 709 3HD2 LEU 86 3HD2 LEU 86 9.364 -8.913 1.623 710 H VAL 87 HN VAL 87 7.914 -4.262 0.707 711 HA VAL 87 HA VAL 87 8.951 -4.873 -1.991 712 HB VAL 87 HB VAL 87 8.580 -2.139 -0.823 713 1HG1 VAL 87 1HG1 VAL 87 9.724 -3.188 -3.333 714 2HG1 VAL 87 2HG1 VAL 87 10.172 -1.772 -2.388 715 3HG1 VAL 87 3HG1 VAL 87 8.762 -1.717 -3.446 716 1HG2 VAL 87 1HG2 VAL 87 6.411 -2.331 -1.351 717 2HG2 VAL 87 2HG2 VAL 87 6.688 -3.922 -2.063 718 3HG2 VAL 87 3HG2 VAL 87 6.895 -2.470 -3.041 719 H GLU 88 HN GLU 88 11.163 -4.499 -2.341 720 HA GLU 88 HA GLU 88 12.577 -3.987 0.183 721 1HB GLU 88 HB2 GLU 88 12.965 -6.230 -0.588 722 2HB GLU 88 HB1 GLU 88 13.427 -5.653 -2.181 723 1HG GLU 88 HG2 GLU 88 15.406 -6.262 -1.022 724 2HG GLU 88 HG1 GLU 88 15.366 -4.504 -1.132 725 H ARG 89 HN ARG 89 12.373 -2.861 -3.129 726 HA ARG 89 HA ARG 89 14.002 -0.605 -2.442 727 1HB ARG 89 HB2 ARG 89 15.886 -1.888 -2.869 728 2HB ARG 89 HB1 ARG 89 15.095 -2.825 -4.121 729 1HG ARG 89 HG2 ARG 89 16.621 -1.554 -5.293 730 2HG ARG 89 HG1 ARG 89 15.132 -0.634 -5.482 731 1HD ARG 89 HD2 ARG 89 15.925 0.646 -3.384 732 2HD ARG 89 HD1 ARG 89 17.500 -0.063 -3.733 733 HE ARG 89 HE ARG 89 16.302 1.262 -5.985 734 1HH1 ARG 89 1HH1 ARG 89 18.276 1.674 -3.136 735 2HH1 ARG 89 2HH1 ARG 89 19.059 3.098 -3.733 736 1HH2 ARG 89 1HH2 ARG 89 17.333 3.136 -6.771 737 2HH2 ARG 89 2HH2 ARG 89 18.525 3.929 -5.796 738 H TRP 90 HN TRP 90 14.212 0.944 -4.278 739 HA TRP 90 HA TRP 90 12.565 0.505 -6.568 740 1HB TRP 90 HB2 TRP 90 10.770 1.875 -6.138 741 2HB TRP 90 HB1 TRP 90 11.078 1.254 -4.527 742 HD1 TRP 90 HD1 TRP 90 11.994 4.395 -6.624 743 HE1 TRP 90 HE1 TRP 90 12.005 6.414 -5.029 744 HE3 TRP 90 HE3 TRP 90 11.064 1.952 -2.232 745 HZ2 TRP 90 HZ2 TRP 90 11.648 6.907 -2.277 746 HZ3 TRP 90 HZ3 TRP 90 10.905 3.278 -0.160 747 HH2 TRP 90 HH2 TRP 90 11.196 5.702 -0.186 748 H GLU 91 HN GLU 91 13.491 1.436 -8.255 749 HA GLU 91 HA GLU 91 15.690 3.230 -7.879 750 1HB GLU 91 HB2 GLU 91 15.632 1.533 -9.676 751 2HB GLU 91 HB1 GLU 91 14.302 2.399 -10.432 752 1HG GLU 91 HG2 GLU 91 15.664 4.218 -11.004 753 2HG GLU 91 HG1 GLU 91 16.950 3.704 -9.913 754 H GLY 92 HN GLY 92 15.894 5.371 -8.606 755 1HA GLY 92 HA2 GLY 92 15.201 7.551 -8.806 756 2HA GLY 92 HA1 GLY 92 13.955 6.909 -9.866 757 H GLU 93 HN GLU 93 12.110 7.852 -9.282 758 HA GLU 93 HA GLU 93 11.403 7.823 -6.424 759 1HB GLU 93 HB2 GLU 93 11.051 9.938 -8.503 760 2HB GLU 93 HB1 GLU 93 9.848 9.800 -7.229 761 1HG GLU 93 HG2 GLU 93 12.164 9.737 -5.803 762 2HG GLU 93 HG1 GLU 93 12.588 10.814 -7.134 763 HA PRO 94 HA PRO 94 7.881 5.453 -7.717 764 1HB PRO 94 HB2 PRO 94 6.462 6.196 -5.304 765 2HB PRO 94 HB1 PRO 94 7.239 4.661 -5.693 766 1HG PRO 94 HG2 PRO 94 8.149 6.355 -3.761 767 2HG PRO 94 HG1 PRO 94 9.196 5.240 -4.656 768 1HD PRO 94 HD2 PRO 94 8.740 8.174 -5.084 769 2HD PRO 94 HD1 PRO 94 10.260 7.253 -5.121 770 H TRP 95 HN TRP 95 6.272 5.980 -9.075 771 HA TRP 95 HA TRP 95 4.705 8.369 -8.449 772 1HB TRP 95 HB2 TRP 95 4.676 8.924 -10.908 773 2HB TRP 95 HB1 TRP 95 6.204 9.193 -10.086 774 HD1 TRP 95 HD1 TRP 95 8.265 7.684 -10.814 775 HE1 TRP 95 HE1 TRP 95 8.725 6.267 -12.920 776 HE3 TRP 95 HE3 TRP 95 3.483 7.262 -12.556 777 HZ2 TRP 95 HZ2 TRP 95 7.250 5.149 -15.043 778 HZ3 TRP 95 HZ3 TRP 95 3.093 6.013 -14.637 779 HH2 TRP 95 HH2 TRP 95 4.936 4.968 -15.848 780 H GLY 96 HN GLY 96 4.888 5.726 -10.817 781 1HA GLY 96 HA2 GLY 96 3.199 4.504 -11.821 782 2HA GLY 96 HA1 GLY 96 2.648 4.328 -10.169 783 H LYS 97 HN LYS 97 0.884 5.460 -9.448 784 HA LYS 97 HA LYS 97 -0.290 7.649 -10.759 785 1HB LYS 97 HB2 LYS 97 -0.675 5.484 -12.291 786 2HB LYS 97 HB1 LYS 97 -2.046 5.297 -11.207 787 1HG LYS 97 HG2 LYS 97 -1.613 7.965 -12.422 788 2HG LYS 97 HG1 LYS 97 -2.198 6.668 -13.465 789 1HD LYS 97 HD2 LYS 97 -4.244 7.140 -12.712 790 2HD LYS 97 HD1 LYS 97 -3.743 6.439 -11.173 791 1HE LYS 97 HE2 LYS 97 -3.509 8.461 -10.173 792 2HE LYS 97 HE1 LYS 97 -2.973 9.251 -11.654 793 1HZ LYS 97 HZ1 LYS 97 -5.240 9.886 -10.734 794 2HZ LYS 97 HZ2 LYS 97 -5.775 8.383 -11.297 795 3HZ LYS 97 HZ3 LYS 97 -5.154 9.521 -12.384 796 H GLU 98 HN GLU 98 0.293 6.702 -8.092 797 HA GLU 98 HA GLU 98 -2.168 5.987 -6.806 798 1HB GLU 98 HB2 GLU 98 -0.705 6.857 -4.739 799 2HB GLU 98 HB1 GLU 98 -0.475 5.274 -5.463 800 1HG GLU 98 HG2 GLU 98 1.628 6.485 -5.021 801 2HG GLU 98 HG1 GLU 98 1.415 6.044 -6.709 802 H GLY 99 HN GLY 99 -0.607 8.950 -7.707 803 1HA GLY 99 HA2 GLY 99 -1.388 11.107 -7.706 804 2HA GLY 99 HA1 GLY 99 -2.942 10.477 -7.190 805 H GLN 100 HN GLN 100 -0.289 9.659 -5.166 806 HA GLN 100 HA GLN 100 -0.768 11.966 -3.429 807 1HB GLN 100 HB2 GLN 100 -1.157 9.082 -2.644 808 2HB GLN 100 HB1 GLN 100 -0.898 10.358 -1.462 809 1HG GLN 100 HG2 GLN 100 -2.893 11.518 -2.601 810 2HG GLN 100 HG1 GLN 100 -3.224 9.930 -3.291 811 1HE2 GLN 100 1HE2 GLN 100 -5.113 9.589 -2.197 812 2HE2 GLN 100 2HE2 GLN 100 -5.191 9.345 -0.488 813 HA PRO 101 HA PRO 101 3.768 11.530 -3.949 814 1HB PRO 101 HB2 PRO 101 3.258 13.922 -2.213 815 2HB PRO 101 HB1 PRO 101 4.464 13.710 -3.492 816 1HG PRO 101 HG2 PRO 101 2.261 15.068 -3.996 817 2HG PRO 101 HG1 PRO 101 2.865 13.900 -5.189 818 1HD PRO 101 HD2 PRO 101 0.554 13.680 -3.321 819 2HD PRO 101 HD1 PRO 101 0.755 13.015 -4.954 820 H GLY 102 HN GLY 102 5.325 10.772 -2.556 821 1HA GLY 102 HA2 GLY 102 4.624 10.587 0.302 822 2HA GLY 102 HA1 GLY 102 5.154 9.160 -0.573 823 H GLU 103 HN GLU 103 6.616 9.610 1.533 824 HA GLU 103 HA GLU 103 9.140 10.619 0.448 825 1HB GLU 103 HB2 GLU 103 7.841 11.548 3.002 826 2HB GLU 103 HB1 GLU 103 9.579 11.657 2.756 827 1HG GLU 103 HG2 GLU 103 7.600 12.860 0.847 828 2HG GLU 103 HG1 GLU 103 8.220 13.727 2.251 829 H TRP 104 HN TRP 104 11.034 9.827 1.608 830 HA TRP 104 HA TRP 104 10.698 7.098 2.424 831 1HB TRP 104 HB2 TRP 104 13.285 8.538 2.859 832 2HB TRP 104 HB1 TRP 104 13.009 6.913 2.250 833 HD1 TRP 104 HD1 TRP 104 11.089 7.695 -0.196 834 HE1 TRP 104 HE1 TRP 104 12.112 8.850 -2.257 835 HE3 TRP 104 HE3 TRP 104 15.351 9.546 1.938 836 HZ2 TRP 104 HZ2 TRP 104 14.419 10.347 -2.894 837 HZ3 TRP 104 HZ3 TRP 104 16.913 10.828 0.534 838 HH2 TRP 104 HH2 TRP 104 16.456 11.219 -1.832 839 H MET 105 HN MET 105 9.805 6.711 4.369 840 HA MET 105 HA MET 105 10.919 8.142 6.689 841 1HB MET 105 HB2 MET 105 8.786 7.980 7.808 842 2HB MET 105 HB1 MET 105 8.566 8.755 6.246 843 1HG MET 105 HG2 MET 105 6.799 7.327 6.260 844 2HG MET 105 HG1 MET 105 8.007 6.325 5.459 845 1HE MET 105 HE1 MET 105 7.075 7.224 9.286 846 2HE MET 105 HE2 MET 105 6.178 5.741 9.610 847 3HE MET 105 HE3 MET 105 5.642 6.835 8.333 848 H SER 106 HN SER 106 11.299 6.975 8.584 849 HA SER 106 HA SER 106 12.194 4.334 8.248 850 1HB SER 106 HB2 SER 106 12.625 6.234 10.120 851 2HB SER 106 HB1 SER 106 11.500 5.196 10.997 852 HG SER 106 HG SER 106 12.969 3.432 10.292 853 H LEU 107 HN LEU 107 10.994 2.586 7.957 854 HA LEU 107 HA LEU 107 8.229 2.499 8.753 855 1HB LEU 107 HB2 LEU 107 9.412 1.461 6.661 856 2HB LEU 107 HB1 LEU 107 9.732 0.121 7.743 857 HG LEU 107 HG LEU 107 7.692 -0.116 6.286 858 1HD1 LEU 107 1HD1 LEU 107 6.528 -0.265 8.941 859 2HD1 LEU 107 2HD1 LEU 107 8.163 -0.925 8.880 860 3HD1 LEU 107 3HD1 LEU 107 6.919 -1.550 7.799 861 1HD2 LEU 107 1HD2 LEU 107 5.837 1.199 6.523 862 2HD2 LEU 107 2HD2 LEU 107 7.096 2.393 6.839 863 3HD2 LEU 107 3HD2 LEU 107 6.230 1.648 8.183 864 H VAL 108 HN VAL 108 11.215 1.565 10.143 865 HA VAL 108 HA VAL 108 10.490 -0.651 11.674 866 HB VAL 108 HB VAL 108 12.390 1.517 12.567 867 1HG1 VAL 108 1HG1 VAL 108 12.866 0.165 14.261 868 2HG1 VAL 108 2HG1 VAL 108 13.226 -1.154 13.148 869 3HG1 VAL 108 3HG1 VAL 108 11.580 -0.919 13.736 870 1HG2 VAL 108 1HG2 VAL 108 13.326 1.087 10.535 871 2HG2 VAL 108 2HG2 VAL 108 12.626 -0.528 10.429 872 3HG2 VAL 108 3HG2 VAL 108 14.035 -0.244 11.450 873 H GLY 109 HN GLY 109 9.384 2.567 11.918 874 1HA GLY 109 HA2 GLY 109 8.128 1.915 14.493 875 2HA GLY 109 HA1 GLY 109 8.942 3.459 14.287 876 H LEU 110 HN LEU 110 6.743 1.558 12.242 877 HA LEU 110 HA LEU 110 5.390 3.790 11.197 878 1HB LEU 110 HB2 LEU 110 5.491 1.285 10.438 879 2HB LEU 110 HB1 LEU 110 4.076 1.116 11.458 880 HG LEU 110 HG LEU 110 2.851 2.711 10.119 881 1HD1 LEU 110 1HD1 LEU 110 4.233 3.263 7.865 882 2HD1 LEU 110 2HD1 LEU 110 5.530 3.300 9.059 883 3HD1 LEU 110 3HD1 LEU 110 4.126 4.350 9.251 884 1HD2 LEU 110 1HD2 LEU 110 2.610 1.432 8.131 885 2HD2 LEU 110 2HD2 LEU 110 3.028 0.308 9.426 886 3HD2 LEU 110 3HD2 LEU 110 4.253 0.806 8.260 887 H ASN 111 HN ASN 111 3.297 4.628 11.655 888 HA ASN 111 HA ASN 111 2.328 3.988 14.354 889 1HB ASN 111 HB2 ASN 111 3.306 6.459 13.328 890 2HB ASN 111 HB1 ASN 111 1.598 6.645 13.697 891 1HD2 ASN 111 1HD2 ASN 111 4.625 5.433 15.062 892 2HD2 ASN 111 2HD2 ASN 111 4.267 5.867 16.695 893 H ALA 112 HN ALA 112 0.265 3.563 14.641 894 HA ALA 112 HA ALA 112 -1.463 3.297 12.389 895 1HB ALA 112 HB1 ALA 112 -2.910 2.173 13.782 896 2HB ALA 112 HB2 ALA 112 -2.506 3.169 15.182 897 3HB ALA 112 HB3 ALA 112 -1.380 1.932 14.628 898 H ASP 113 HN ASP 113 -0.694 5.858 14.494 899 HA ASP 113 HA ASP 113 -3.229 7.203 14.415 900 1HB ASP 113 HB2 ASP 113 -1.250 7.390 16.147 901 2HB ASP 113 HB1 ASP 113 -0.681 8.635 15.038 902 H ASP 114 HN ASP 114 -0.071 7.742 12.839 903 HA ASP 114 HA ASP 114 -0.931 9.968 11.321 904 1HB ASP 114 HB2 ASP 114 1.165 8.698 9.903 905 2HB ASP 114 HB1 ASP 114 1.256 10.124 10.919 906 H PHE 115 HN PHE 115 -1.021 6.529 10.764 907 HA PHE 115 HA PHE 115 -1.855 6.862 8.001 908 1HB PHE 115 HB2 PHE 115 -1.194 4.712 7.739 909 2HB PHE 115 HB1 PHE 115 -0.466 4.886 9.340 910 HD1 PHE 115 HD1 PHE 115 -2.456 4.673 11.210 911 HD2 PHE 115 HD2 PHE 115 -2.266 2.701 7.466 912 HE1 PHE 115 HE1 PHE 115 -3.897 2.892 12.098 913 HE2 PHE 115 HE2 PHE 115 -3.704 0.912 8.335 914 HZ PHE 115 HZ PHE 115 -4.524 1.009 10.652 915 HA PRO 116 HA PRO 116 -6.221 6.522 8.659 916 1HB PRO 116 HB2 PRO 116 -7.069 4.577 6.965 917 2HB PRO 116 HB1 PRO 116 -6.535 6.166 6.404 918 1HG PRO 116 HG2 PRO 116 -5.031 3.578 6.477 919 2HG PRO 116 HG1 PRO 116 -5.093 4.800 5.193 920 1HD PRO 116 HD2 PRO 116 -3.025 4.617 6.931 921 2HD PRO 116 HD1 PRO 116 -3.559 6.163 6.243 922 HA PRO 117 HA PRO 117 -6.489 3.357 11.839 923 1HB PRO 117 HB2 PRO 117 -9.057 3.925 12.612 924 2HB PRO 117 HB1 PRO 117 -7.636 4.824 13.154 925 1HG PRO 117 HG2 PRO 117 -9.582 5.486 10.978 926 2HG PRO 117 HG1 PRO 117 -8.866 6.551 12.203 927 1HD PRO 117 HD2 PRO 117 -7.957 6.500 9.676 928 2HD PRO 117 HD1 PRO 117 -6.861 6.731 11.054 929 H ALA 118 HN ALA 118 -8.469 3.597 9.034 930 HA ALA 118 HA ALA 118 -10.123 1.335 9.549 931 1HB ALA 118 HB1 ALA 118 -9.488 2.624 6.905 932 2HB ALA 118 HB2 ALA 118 -10.763 3.144 8.007 933 3HB ALA 118 HB3 ALA 118 -10.843 1.550 7.257 934 H ASN 119 HN ASN 119 -6.870 1.564 8.779 935 HA ASN 119 HA ASN 119 -6.875 -1.165 7.662 936 1HB ASN 119 HB2 ASN 119 -5.528 1.308 6.842 937 2HB ASN 119 HB1 ASN 119 -4.463 -0.094 6.903 938 1HD2 ASN 119 1HD2 ASN 119 -7.895 0.045 6.090 939 2HD2 ASN 119 2HD2 ASN 119 -7.719 -0.518 4.468 940 H GLU 120 HN GLU 120 -6.808 -0.485 10.480 941 HA GLU 120 HA GLU 120 -4.106 -0.668 11.399 942 1HB GLU 120 HB2 GLU 120 -6.665 -0.152 12.556 943 2HB GLU 120 HB1 GLU 120 -5.863 -1.408 13.487 944 1HG GLU 120 HG2 GLU 120 -3.824 0.225 13.352 945 2HG GLU 120 HG1 GLU 120 -5.080 1.425 13.054 946 HA PRO 121 HA PRO 121 -5.778 -5.287 12.296 947 1HB PRO 121 HB2 PRO 121 -6.458 -5.620 9.405 948 2HB PRO 121 HB1 PRO 121 -7.168 -6.400 10.824 949 1HG PRO 121 HG2 PRO 121 -8.447 -4.421 9.590 950 2HG PRO 121 HG1 PRO 121 -8.460 -4.546 11.360 951 1HD PRO 121 HD2 PRO 121 -6.950 -2.674 9.601 952 2HD PRO 121 HD1 PRO 121 -7.628 -2.405 11.219 953 H VAL 122 HN VAL 122 -4.491 -4.295 9.120 954 HA VAL 122 HA VAL 122 -2.532 -6.396 9.107 955 HB VAL 122 HB VAL 122 -2.220 -4.019 7.333 956 1HG1 VAL 122 1HG1 VAL 122 -0.997 -6.426 7.466 957 2HG1 VAL 122 2HG1 VAL 122 -1.103 -5.446 6.004 958 3HG1 VAL 122 3HG1 VAL 122 -2.250 -6.759 6.270 959 1HG2 VAL 122 1HG2 VAL 122 -4.601 -5.796 7.380 960 2HG2 VAL 122 2HG2 VAL 122 -3.925 -5.361 5.810 961 3HG2 VAL 122 3HG2 VAL 122 -4.462 -4.099 6.919 962 H ILE 123 HN ILE 123 -2.423 -2.864 9.419 963 HA ILE 123 HA ILE 123 0.327 -2.608 9.819 964 HB ILE 123 HB ILE 123 -1.987 -0.892 10.693 965 1HG1 ILE 123 2HG1 ILE 123 -1.143 -1.253 8.231 966 2HG1 ILE 123 1HG1 ILE 123 -1.569 0.356 8.793 967 1HG2 ILE 123 1HG2 ILE 123 -0.288 0.879 11.152 968 2HG2 ILE 123 2HG2 ILE 123 0.959 -0.364 11.044 969 3HG2 ILE 123 3HG2 ILE 123 -0.272 -0.456 12.304 970 1HD1 ILE 123 1HD1 ILE 123 1.208 -0.778 8.615 971 2HD1 ILE 123 2HD1 ILE 123 0.787 0.836 9.202 972 3HD1 ILE 123 3HD1 ILE 123 0.482 0.400 7.519 973 H ALA 124 HN ALA 124 -2.263 -3.345 12.082 974 HA ALA 124 HA ALA 124 -0.962 -2.905 14.493 975 1HB ALA 124 HB1 ALA 124 -2.517 -4.491 15.471 976 2HB ALA 124 HB2 ALA 124 -2.901 -5.134 13.874 977 3HB ALA 124 HB3 ALA 124 -3.349 -3.479 14.289 978 H LYS 125 HN LYS 125 -0.727 -5.573 12.236 979 HA LYS 125 HA LYS 125 0.748 -7.320 13.921 980 1HB LYS 125 HB2 LYS 125 0.173 -7.153 11.003 981 2HB LYS 125 HB1 LYS 125 1.499 -8.186 11.523 982 1HG LYS 125 HG2 LYS 125 -0.191 -9.698 11.571 983 2HG LYS 125 HG1 LYS 125 -0.330 -9.070 13.215 984 1HD LYS 125 HD2 LYS 125 -2.183 -7.740 12.670 985 2HD LYS 125 HD1 LYS 125 -1.875 -7.871 10.936 986 1HE LYS 125 HE2 LYS 125 -2.217 -10.461 11.508 987 2HE LYS 125 HE1 LYS 125 -3.213 -9.760 12.783 988 1HZ LYS 125 HZ1 LYS 125 -4.613 -8.753 11.236 989 2HZ LYS 125 HZ2 LYS 125 -4.327 -10.283 10.575 990 3HZ LYS 125 HZ3 LYS 125 -3.515 -8.933 9.962 991 H LEU 126 HN LEU 126 1.810 -5.161 11.285 992 HA LEU 126 HA LEU 126 4.584 -5.604 11.865 993 1HB LEU 126 HB2 LEU 126 4.743 -4.980 9.744 994 2HB LEU 126 HB1 LEU 126 3.055 -4.518 9.729 995 HG LEU 126 HG LEU 126 5.238 -2.662 10.665 996 1HD1 LEU 126 1HD1 LEU 126 4.966 -1.605 8.405 997 2HD1 LEU 126 2HD1 LEU 126 4.107 -3.062 7.906 998 3HD1 LEU 126 3HD1 LEU 126 5.793 -3.162 8.411 999 1HD2 LEU 126 1HD2 LEU 126 2.562 -2.486 11.020 1000 2HD2 LEU 126 2HD2 LEU 126 2.744 -1.664 9.472 1001 3HD2 LEU 126 3HD2 LEU 126 3.638 -1.096 10.882 1002 H LYS 127 HN LYS 127 2.192 -3.426 13.009 1003 HA LYS 127 HA LYS 127 3.841 -1.228 13.667 1004 1HB LYS 127 HB2 LYS 127 1.355 -1.231 13.606 1005 2HB LYS 127 HB1 LYS 127 1.349 -2.145 15.101 1006 1HG LYS 127 HG2 LYS 127 2.127 -0.363 16.348 1007 2HG LYS 127 HG1 LYS 127 2.800 0.461 14.941 1008 1HD LYS 127 HD2 LYS 127 0.952 1.734 15.084 1009 2HD LYS 127 HD1 LYS 127 0.164 0.369 14.289 1010 1HE LYS 127 HE2 LYS 127 -1.238 0.526 16.055 1011 2HE LYS 127 HE1 LYS 127 0.005 -0.445 16.840 1012 1HZ LYS 127 HZ1 LYS 127 0.940 1.999 17.291 1013 2HZ LYS 127 HZ2 LYS 127 -0.102 1.197 18.353 1014 3HZ LYS 127 HZ3 LYS 127 -0.718 2.335 17.264 1015 H ARG 128 HN ARG 128 2.850 -4.120 15.419 1016 HA ARG 128 HA ARG 128 4.181 -3.447 17.841 1017 1HB ARG 128 HB2 ARG 128 2.352 -5.027 17.875 1018 2HB ARG 128 HB1 ARG 128 3.189 -6.085 16.749 1019 1HG ARG 128 HG2 ARG 128 4.898 -6.539 18.426 1020 2HG ARG 128 HG1 ARG 128 4.083 -5.454 19.556 1021 1HD ARG 128 HD2 ARG 128 3.437 -7.667 20.130 1022 2HD ARG 128 HD1 ARG 128 2.053 -6.915 19.337 1023 HE ARG 128 HE ARG 128 3.303 -8.173 17.303 1024 1HH1 ARG 128 1HH1 ARG 128 2.250 -9.236 20.456 1025 2HH1 ARG 128 2HH1 ARG 128 1.966 -10.867 19.949 1026 1HH2 ARG 128 1HH2 ARG 128 2.929 -10.318 16.635 1027 2HH2 ARG 128 2HH2 ARG 128 2.351 -11.482 17.780 1028 H LEU 129 HN LEU 129 5.320 -4.318 14.803 1029 HA LEU 129 HA LEU 129 7.490 -6.005 15.513 1030 1HB LEU 129 HB2 LEU 129 7.734 -6.113 13.313 1031 2HB LEU 129 HB1 LEU 129 6.448 -4.941 13.146 1032 HG LEU 129 HG LEU 129 9.363 -4.217 13.410 1033 1HD1 LEU 129 1HD1 LEU 129 9.014 -3.615 10.932 1034 2HD1 LEU 129 2HD1 LEU 129 7.652 -4.734 11.009 1035 3HD1 LEU 129 3HD1 LEU 129 9.284 -5.305 11.359 1036 1HD2 LEU 129 1HD2 LEU 129 7.214 -2.641 13.887 1037 2HD2 LEU 129 2HD2 LEU 129 7.445 -2.374 12.159 1038 3HD2 LEU 129 3HD2 LEU 129 8.763 -2.052 13.286 1039 1HO1 MO2 130 1HO1 MO2 130 -5.293 -0.573 -10.352 1040 2HO1 MO2 130 2HO1 MO2 130 -5.990 3.497 -10.302 1041 1HO2 MO2 130 1HO2 MO2 130 -5.481 0.475 -11.427 1042 2HO2 MO2 130 2HO2 MO2 130 -6.163 3.424 -8.801 1043 1H5* 8OG 131 1H5* 8OG 131 -12.600 4.424 -4.071 1044 2H5* 8OG 131 2H5* 8OG 131 -12.392 4.441 -2.346 1045 H4* 8OG 131 1H4* 8OG 131 -10.564 3.240 -4.414 1046 H3* 8OG 131 1H3* 8OG 131 -12.747 2.095 -3.022 1047 1H2* 8OG 131 1H2* 8OG 131 -11.775 0.883 -1.413 1048 2H2* 8OG 131 2H2* 8OG 131 -10.697 0.157 -2.583 1049 H1* 8OG 131 1H1* 8OG 131 -8.998 1.388 -1.887 1050 H1 8OG 131 H1 8OG 131 -6.200 0.979 3.355 1051 H7 8OG 131 H7 8OG 131 -10.927 2.444 2.733 1052 1H2 8OG 131 H21 8OG 131 -4.976 0.448 0.121 1053 2H2 8OG 131 H22 8OG 131 -4.636 0.414 1.819 1054 H3T 8OG 131 *HO1 8OG 131 -12.187 1.720 -5.247 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -23.123 -9.456 -4.282 2 2H MET 1 HT2 MET 1 -24.431 -8.840 -5.208 3 3H MET 1 HT3 MET 1 -24.691 -9.366 -3.596 4 HA MET 1 HA MET 1 -24.595 -6.939 -3.925 5 1HB MET 1 HB2 MET 1 -23.020 -8.605 -2.037 6 2HB MET 1 HB1 MET 1 -22.706 -6.875 -2.010 7 1HG MET 1 HG2 MET 1 -24.386 -6.819 -0.541 8 2HG MET 1 HG1 MET 1 -25.412 -6.904 -1.972 9 1HE MET 1 HE1 MET 1 -25.169 -8.469 1.522 10 2HE MET 1 HE2 MET 1 -23.593 -8.732 0.777 11 3HE MET 1 HE3 MET 1 -24.627 -10.108 1.162 12 H LYS 2 HN LYS 2 -22.625 -5.313 -3.354 13 HA LYS 2 HA LYS 2 -21.004 -5.326 -5.757 14 1HB LYS 2 HB2 LYS 2 -22.241 -3.326 -4.388 15 2HB LYS 2 HB1 LYS 2 -20.599 -3.177 -3.778 16 1HG LYS 2 HG2 LYS 2 -20.356 -1.842 -5.567 17 2HG LYS 2 HG1 LYS 2 -20.088 -3.371 -6.406 18 1HD LYS 2 HD2 LYS 2 -22.698 -3.331 -6.663 19 2HD LYS 2 HD1 LYS 2 -22.488 -1.597 -6.405 20 1HE LYS 2 HE2 LYS 2 -20.677 -2.877 -8.361 21 2HE LYS 2 HE1 LYS 2 -22.375 -2.752 -8.822 22 1HZ LYS 2 HZ1 LYS 2 -20.876 -0.419 -7.798 23 2HZ LYS 2 HZ2 LYS 2 -22.312 -0.439 -8.692 24 3HZ LYS 2 HZ3 LYS 2 -20.847 -0.837 -9.438 25 H LYS 3 HN LYS 3 -18.751 -5.259 -5.816 26 HA LYS 3 HA LYS 3 -17.333 -5.792 -3.307 27 1HB LYS 3 HB2 LYS 3 -16.091 -7.629 -4.290 28 2HB LYS 3 HB1 LYS 3 -17.813 -7.968 -4.366 29 1HG LYS 3 HG2 LYS 3 -17.870 -7.903 -6.624 30 2HG LYS 3 HG1 LYS 3 -16.625 -6.657 -6.731 31 1HD LYS 3 HD2 LYS 3 -15.615 -8.582 -7.611 32 2HD LYS 3 HD1 LYS 3 -14.996 -8.470 -5.961 33 1HE LYS 3 HE2 LYS 3 -15.578 -10.737 -6.294 34 2HE LYS 3 HE1 LYS 3 -16.852 -10.044 -5.291 35 1HZ LYS 3 HZ1 LYS 3 -17.178 -10.098 -8.213 36 2HZ LYS 3 HZ2 LYS 3 -18.360 -10.111 -7.004 37 3HZ LYS 3 HZ3 LYS 3 -17.460 -11.508 -7.321 38 H LEU 4 HN LEU 4 -15.227 -5.066 -3.231 39 HA LEU 4 HA LEU 4 -14.048 -3.883 -5.620 40 1HB LEU 4 HB2 LEU 4 -13.851 -1.714 -4.777 41 2HB LEU 4 HB1 LEU 4 -15.494 -2.180 -4.377 42 HG LEU 4 HG LEU 4 -14.352 -2.893 -2.089 43 1HD1 LEU 4 1HD1 LEU 4 -12.232 -2.269 -1.898 44 2HD1 LEU 4 2HD1 LEU 4 -12.766 -0.591 -1.983 45 3HD1 LEU 4 3HD1 LEU 4 -12.282 -1.438 -3.453 46 1HD2 LEU 4 1HD2 LEU 4 -14.732 0.030 -2.332 47 2HD2 LEU 4 2HD2 LEU 4 -15.439 -1.119 -1.196 48 3HD2 LEU 4 3HD2 LEU 4 -16.078 -0.994 -2.835 49 H GLN 5 HN GLN 5 -12.012 -4.595 -5.704 50 HA GLN 5 HA GLN 5 -10.690 -5.379 -3.212 51 1HB GLN 5 HB2 GLN 5 -9.784 -5.986 -6.017 52 2HB GLN 5 HB1 GLN 5 -9.265 -6.766 -4.530 53 1HG GLN 5 HG2 GLN 5 -11.635 -7.560 -4.255 54 2HG GLN 5 HG1 GLN 5 -11.938 -6.955 -5.876 55 1HE2 GLN 5 1HE2 GLN 5 -9.392 -8.848 -4.285 56 2HE2 GLN 5 2HE2 GLN 5 -9.349 -10.105 -5.468 57 H ILE 6 HN ILE 6 -8.548 -4.866 -2.791 58 HA ILE 6 HA ILE 6 -7.236 -2.811 -4.377 59 HB ILE 6 HB ILE 6 -6.721 -1.577 -2.159 60 1HG1 ILE 6 2HG1 ILE 6 -7.902 -3.362 -0.789 61 2HG1 ILE 6 1HG1 ILE 6 -8.329 -1.695 -0.418 62 1HG2 ILE 6 1HG2 ILE 6 -8.205 -0.932 -4.208 63 2HG2 ILE 6 2HG2 ILE 6 -8.249 0.032 -2.733 64 3HG2 ILE 6 3HG2 ILE 6 -9.527 -1.136 -3.060 65 1HD1 ILE 6 1HD1 ILE 6 -10.457 -2.203 -0.705 66 2HD1 ILE 6 2HD1 ILE 6 -10.020 -3.854 -1.146 67 3HD1 ILE 6 3HD1 ILE 6 -10.133 -2.609 -2.390 68 H ALA 7 HN ALA 7 -5.077 -3.127 -4.432 69 HA ALA 7 HA ALA 7 -3.901 -4.888 -2.371 70 1HB ALA 7 HB1 ALA 7 -3.951 -5.193 -5.269 71 2HB ALA 7 HB2 ALA 7 -3.578 -6.372 -4.015 72 3HB ALA 7 HB3 ALA 7 -2.326 -5.276 -4.596 73 H VAL 8 HN VAL 8 -2.249 -3.977 -1.303 74 HA VAL 8 HA VAL 8 -0.936 -1.675 -2.573 75 HB VAL 8 HB VAL 8 -1.084 -0.451 -0.722 76 1HG1 VAL 8 1HG1 VAL 8 -3.363 -1.136 -0.849 77 2HG1 VAL 8 2HG1 VAL 8 -2.913 -1.087 0.856 78 3HG1 VAL 8 3HG1 VAL 8 -3.021 -2.634 0.018 79 1HG2 VAL 8 1HG2 VAL 8 -0.717 -1.371 1.587 80 2HG2 VAL 8 2HG2 VAL 8 0.634 -1.592 0.472 81 3HG2 VAL 8 3HG2 VAL 8 -0.437 -2.944 0.842 82 H GLY 9 HN GLY 9 1.232 -1.189 -1.870 83 1HA GLY 9 HA2 GLY 9 2.813 -3.460 -0.932 84 2HA GLY 9 HA1 GLY 9 3.183 -2.811 -2.519 85 H ILE 10 HN ILE 10 3.900 -2.612 0.719 86 HA ILE 10 HA ILE 10 4.464 0.181 0.944 87 HB ILE 10 HB ILE 10 6.082 -1.589 2.649 88 1HG1 ILE 10 2HG1 ILE 10 3.064 -1.781 2.667 89 2HG1 ILE 10 1HG1 ILE 10 4.221 -3.098 2.508 90 1HG2 ILE 10 1HG2 ILE 10 4.020 0.324 3.625 91 2HG2 ILE 10 2HG2 ILE 10 5.443 0.952 2.797 92 3HG2 ILE 10 3HG2 ILE 10 5.629 -0.019 4.257 93 1HD1 ILE 10 1HD1 ILE 10 3.210 -1.753 4.902 94 2HD1 ILE 10 2HD1 ILE 10 4.946 -2.062 4.900 95 3HD1 ILE 10 3HD1 ILE 10 3.814 -3.396 4.683 96 H ILE 11 HN ILE 11 5.750 0.918 -0.677 97 HA ILE 11 HA ILE 11 8.050 -0.448 -1.620 98 HB ILE 11 HB ILE 11 6.538 1.313 -2.790 99 1HG1 ILE 11 2HG1 ILE 11 9.509 0.994 -3.142 100 2HG1 ILE 11 1HG1 ILE 11 8.213 0.206 -4.028 101 1HG2 ILE 11 1HG2 ILE 11 8.689 3.234 -2.078 102 2HG2 ILE 11 2HG2 ILE 11 7.309 3.039 -0.998 103 3HG2 ILE 11 3HG2 ILE 11 7.058 3.529 -2.672 104 1HD1 ILE 11 1HD1 ILE 11 8.933 3.126 -4.205 105 2HD1 ILE 11 2HD1 ILE 11 7.652 2.321 -5.111 106 3HD1 ILE 11 3HD1 ILE 11 9.340 1.882 -5.385 107 H ARG 12 HN ARG 12 9.945 -0.641 -0.657 108 HA ARG 12 HA ARG 12 10.740 1.237 1.429 109 1HB ARG 12 HB2 ARG 12 11.266 -1.571 0.813 110 2HB ARG 12 HB1 ARG 12 12.703 -0.690 1.308 111 1HG ARG 12 HG2 ARG 12 10.584 0.004 3.061 112 2HG ARG 12 HG1 ARG 12 10.641 -1.753 2.920 113 1HD ARG 12 HD2 ARG 12 13.054 -0.042 3.494 114 2HD ARG 12 HD1 ARG 12 12.058 -0.773 4.751 115 HE ARG 12 HE ARG 12 13.989 -2.091 3.084 116 1HH1 ARG 12 1HH1 ARG 12 11.111 -2.524 5.008 117 2HH1 ARG 12 2HH1 ARG 12 11.405 -4.206 5.295 118 1HH2 ARG 12 1HH2 ARG 12 14.378 -4.302 3.461 119 2HH2 ARG 12 2HH2 ARG 12 13.260 -5.216 4.417 120 H ASN 13 HN ASN 13 12.700 2.325 1.476 121 HA ASN 13 HA ASN 13 13.936 2.685 -1.164 122 1HB ASN 13 HB2 ASN 13 14.820 4.832 -0.260 123 2HB ASN 13 HB1 ASN 13 13.074 4.749 -0.315 124 1HD2 ASN 13 1HD2 ASN 13 15.731 5.453 1.550 125 2HD2 ASN 13 2HD2 ASN 13 14.956 5.534 3.090 126 H GLU 14 HN GLU 14 16.253 3.808 -0.648 127 HA GLU 14 HA GLU 14 17.949 1.624 -0.042 128 1HB GLU 14 HB2 GLU 14 18.505 3.228 -1.755 129 2HB GLU 14 HB1 GLU 14 18.485 4.542 -0.581 130 1HG GLU 14 HG2 GLU 14 20.352 2.341 0.005 131 2HG GLU 14 HG1 GLU 14 20.716 3.286 -1.439 132 H ASN 15 HN ASN 15 16.393 3.537 2.156 133 HA ASN 15 HA ASN 15 18.632 3.310 4.055 134 1HB ASN 15 HB2 ASN 15 17.990 5.677 3.334 135 2HB ASN 15 HB1 ASN 15 16.503 5.429 4.243 136 1HD2 ASN 15 1HD2 ASN 15 18.063 7.460 4.981 137 2HD2 ASN 15 2HD2 ASN 15 18.873 7.118 6.467 138 H ASN 16 HN ASN 16 16.885 1.227 3.730 139 HA ASN 16 HA ASN 16 15.337 -0.106 4.762 140 1HB ASN 16 HB2 ASN 16 15.717 -0.410 7.138 141 2HB ASN 16 HB1 ASN 16 17.259 -0.167 6.325 142 1HD2 ASN 16 1HD2 ASN 16 18.595 1.112 7.353 143 2HD2 ASN 16 2HD2 ASN 16 18.163 2.418 8.399 144 H GLU 17 HN GLU 17 14.419 2.585 4.060 145 HA GLU 17 HA GLU 17 12.270 2.904 6.045 146 1HB GLU 17 HB2 GLU 17 13.634 4.911 4.271 147 2HB GLU 17 HB1 GLU 17 12.063 5.234 4.977 148 1HG GLU 17 HG2 GLU 17 12.979 5.807 6.906 149 2HG GLU 17 HG1 GLU 17 13.896 4.305 6.984 150 H ILE 18 HN ILE 18 10.162 3.583 5.105 151 HA ILE 18 HA ILE 18 9.830 2.488 2.393 152 HB ILE 18 HB ILE 18 8.919 1.325 4.690 153 1HG1 ILE 18 2HG1 ILE 18 7.269 0.809 2.302 154 2HG1 ILE 18 1HG1 ILE 18 9.009 0.716 2.061 155 1HG2 ILE 18 1HG2 ILE 18 7.261 3.148 4.974 156 2HG2 ILE 18 2HG2 ILE 18 6.536 1.550 4.817 157 3HG2 ILE 18 3HG2 ILE 18 6.523 2.661 3.448 158 1HD1 ILE 18 1HD1 ILE 18 7.323 -0.893 3.945 159 2HD1 ILE 18 2HD1 ILE 18 9.081 -0.840 4.036 160 3HD1 ILE 18 3HD1 ILE 18 8.292 -1.461 2.586 161 H PHE 19 HN PHE 19 8.835 3.747 0.958 162 HA PHE 19 HA PHE 19 7.920 6.349 1.746 163 1HB PHE 19 HB2 PHE 19 8.858 6.576 -0.320 164 2HB PHE 19 HB1 PHE 19 8.463 4.933 -0.798 165 HD1 PHE 19 HD1 PHE 19 6.050 7.533 0.316 166 HD2 PHE 19 HD2 PHE 19 7.633 5.307 -2.949 167 HE1 PHE 19 HE1 PHE 19 4.243 8.367 -1.130 168 HE2 PHE 19 HE2 PHE 19 5.827 6.141 -4.395 169 HZ PHE 19 HZ PHE 19 4.131 7.673 -3.487 170 H ILE 20 HN ILE 20 6.011 6.675 2.612 171 HA ILE 20 HA ILE 20 3.713 5.111 1.635 172 HB ILE 20 HB ILE 20 3.090 6.233 4.168 173 1HG1 ILE 20 2HG1 ILE 20 5.495 4.436 4.406 174 2HG1 ILE 20 1HG1 ILE 20 5.650 6.189 4.398 175 1HG2 ILE 20 1HG2 ILE 20 3.617 3.365 4.102 176 2HG2 ILE 20 2HG2 ILE 20 2.599 3.942 2.783 177 3HG2 ILE 20 3HG2 ILE 20 2.128 4.242 4.455 178 1HD1 ILE 20 1HD1 ILE 20 3.844 4.781 6.324 179 2HD1 ILE 20 2HD1 ILE 20 4.504 6.414 6.415 180 3HD1 ILE 20 3HD1 ILE 20 5.560 5.022 6.650 181 H THR 21 HN THR 21 2.150 6.292 0.709 182 HA THR 21 HA THR 21 2.398 9.118 0.493 183 HB THR 21 HB THR 21 0.596 9.035 -0.988 184 HG1 THR 21 HG1 THR 21 -0.980 8.116 0.263 185 1HG2 THR 21 1HG2 THR 21 0.949 7.249 -2.470 186 2HG2 THR 21 2HG2 THR 21 1.521 6.191 -1.181 187 3HG2 THR 21 3HG2 THR 21 2.506 7.557 -1.703 188 H ARG 22 HN ARG 22 1.931 10.480 2.088 189 HA ARG 22 HA ARG 22 -0.022 9.771 4.113 190 1HB ARG 22 HB2 ARG 22 1.423 12.404 3.931 191 2HB ARG 22 HB1 ARG 22 0.793 11.598 5.361 192 1HG ARG 22 HG2 ARG 22 2.536 9.986 5.325 193 2HG ARG 22 HG1 ARG 22 3.071 10.510 3.727 194 1HD ARG 22 HD2 ARG 22 4.409 12.034 4.632 195 2HD ARG 22 HD1 ARG 22 3.057 12.751 5.507 196 HE ARG 22 HE ARG 22 5.053 10.966 6.555 197 1HH1 ARG 22 1HH1 ARG 22 1.815 12.203 6.967 198 2HH1 ARG 22 2HH1 ARG 22 1.764 11.854 8.663 199 1HH2 ARG 22 1HH2 ARG 22 4.987 10.507 8.785 200 2HH2 ARG 22 2HH2 ARG 22 3.565 10.891 9.695 201 H ARG 23 HN ARG 23 -1.904 9.781 2.792 202 HA ARG 23 HA ARG 23 -3.706 10.672 1.705 203 1HB ARG 23 HB2 ARG 23 -3.945 11.423 4.086 204 2HB ARG 23 HB1 ARG 23 -3.279 12.973 3.606 205 1HG ARG 23 HG2 ARG 23 -5.561 13.339 3.555 206 2HG ARG 23 HG1 ARG 23 -5.181 12.995 1.867 207 1HD ARG 23 HD2 ARG 23 -5.770 10.574 3.335 208 2HD ARG 23 HD1 ARG 23 -7.093 11.733 3.449 209 HE ARG 23 HE ARG 23 -6.418 10.181 1.196 210 1HH1 ARG 23 1HH1 ARG 23 -7.441 13.407 2.050 211 2HH1 ARG 23 2HH1 ARG 23 -8.225 13.695 0.533 212 1HH2 ARG 23 1HH2 ARG 23 -7.449 10.559 -0.800 213 2HH2 ARG 23 2HH2 ARG 23 -8.230 12.078 -1.085 214 H ALA 24 HN ALA 24 -1.513 11.127 0.169 215 HA ALA 24 HA ALA 24 -0.851 12.359 -1.630 216 1HB ALA 24 HB1 ALA 24 -3.573 13.229 -1.077 217 2HB ALA 24 HB2 ALA 24 -2.793 12.856 -2.617 218 3HB ALA 24 HB3 ALA 24 -2.609 14.457 -1.902 219 H ALA 25 HN ALA 25 -0.302 13.191 1.305 220 HA ALA 25 HA ALA 25 0.852 14.811 2.414 221 1HB ALA 25 HB1 ALA 25 2.514 14.309 0.710 222 2HB ALA 25 HB2 ALA 25 2.541 16.025 1.118 223 3HB ALA 25 HB3 ALA 25 1.777 15.487 -0.376 224 H ASP 26 HN ASP 26 -1.745 15.503 2.143 225 HA ASP 26 HA ASP 26 -1.673 18.358 1.418 226 1HB ASP 26 HB2 ASP 26 -4.145 18.186 1.183 227 2HB ASP 26 HB1 ASP 26 -3.271 17.155 0.053 228 H ALA 27 HN ALA 27 -3.706 19.435 2.684 229 HA ALA 27 HA ALA 27 -3.101 18.977 5.525 230 1HB ALA 27 HB1 ALA 27 -4.328 21.357 5.557 231 2HB ALA 27 HB2 ALA 27 -3.679 21.389 3.918 232 3HB ALA 27 HB3 ALA 27 -2.595 21.170 5.292 233 H HIS 28 HN HIS 28 -5.038 17.420 3.975 234 HA HIS 28 HA HIS 28 -7.335 17.837 5.726 235 1HB HIS 28 HB2 HIS 28 -7.496 18.850 3.228 236 2HB HIS 28 HB1 HIS 28 -8.036 17.203 2.918 237 HD1 HIS 28 HD1 HIS 28 -10.494 17.088 2.949 238 HD2 HIS 28 HD2 HIS 28 -9.054 19.816 5.732 239 HE1 HIS 28 HE1 HIS 28 -12.530 18.012 4.098 240 HE2 HIS 28 HE2 HIS 28 -11.639 19.727 5.715 241 H MET 29 HN MET 29 -7.911 15.965 6.611 242 HA MET 29 HA MET 29 -8.174 13.738 6.992 243 1HB MET 29 HB2 MET 29 -7.903 13.470 3.992 244 2HB MET 29 HB1 MET 29 -8.545 12.253 5.087 245 1HG MET 29 HG2 MET 29 -10.550 13.254 5.240 246 2HG MET 29 HG1 MET 29 -9.863 14.877 5.206 247 1HE MET 29 HE1 MET 29 -12.035 12.433 3.259 248 2HE MET 29 HE2 MET 29 -12.507 13.714 2.140 249 3HE MET 29 HE3 MET 29 -12.538 14.006 3.879 250 H ALA 30 HN ALA 30 -5.683 14.717 7.439 251 HA ALA 30 HA ALA 30 -3.616 13.274 6.126 252 1HB ALA 30 HB1 ALA 30 -3.619 15.463 7.654 253 2HB ALA 30 HB2 ALA 30 -2.183 14.470 7.405 254 3HB ALA 30 HB3 ALA 30 -3.147 14.274 8.868 255 H ASN 31 HN ASN 31 -5.934 12.255 8.336 256 HA ASN 31 HA ASN 31 -4.261 10.348 9.720 257 1HB ASN 31 HB2 ASN 31 -6.904 11.455 10.060 258 2HB ASN 31 HB1 ASN 31 -6.961 9.699 10.159 259 1HD2 ASN 31 1HD2 ASN 31 -7.474 9.826 12.358 260 2HD2 ASN 31 2HD2 ASN 31 -6.277 10.202 13.546 261 H LYS 32 HN LYS 32 -4.943 10.308 6.666 262 HA LYS 32 HA LYS 32 -5.782 7.496 6.597 263 1HB LYS 32 HB2 LYS 32 -6.641 9.779 5.055 264 2HB LYS 32 HB1 LYS 32 -6.006 8.522 4.000 265 1HG LYS 32 HG2 LYS 32 -7.815 7.267 4.261 266 2HG LYS 32 HG1 LYS 32 -7.748 7.414 6.018 267 1HD LYS 32 HD2 LYS 32 -9.748 8.453 5.613 268 2HD LYS 32 HD1 LYS 32 -8.661 9.839 5.500 269 1HE LYS 32 HE2 LYS 32 -8.951 10.057 3.266 270 2HE LYS 32 HE1 LYS 32 -9.099 8.319 3.008 271 1HZ LYS 32 HZ1 LYS 32 -11.346 8.380 3.777 272 2HZ LYS 32 HZ2 LYS 32 -11.171 9.568 2.587 273 3HZ LYS 32 HZ3 LYS 32 -11.218 10.008 4.219 274 H LEU 33 HN LEU 33 -3.110 8.594 6.996 275 HA LEU 33 HA LEU 33 -1.398 8.560 4.870 276 1HB LEU 33 HB2 LEU 33 -0.994 8.796 7.424 277 2HB LEU 33 HB1 LEU 33 -0.744 7.064 7.385 278 HG LEU 33 HG LEU 33 0.846 9.076 5.795 279 1HD1 LEU 33 1HD1 LEU 33 1.546 9.441 7.965 280 2HD1 LEU 33 2HD1 LEU 33 2.663 8.192 7.416 281 3HD1 LEU 33 3HD1 LEU 33 1.293 7.762 8.440 282 1HD2 LEU 33 1HD2 LEU 33 0.703 6.135 5.827 283 2HD2 LEU 33 2HD2 LEU 33 2.326 6.823 5.867 284 3HD2 LEU 33 3HD2 LEU 33 1.226 7.235 4.551 285 H GLU 34 HN GLU 34 -1.737 7.148 3.181 286 HA GLU 34 HA GLU 34 -1.535 4.284 3.838 287 1HB GLU 34 HB2 GLU 34 -3.449 5.718 2.075 288 2HB GLU 34 HB1 GLU 34 -2.888 4.138 1.544 289 1HG GLU 34 HG2 GLU 34 -3.963 4.534 4.305 290 2HG GLU 34 HG1 GLU 34 -5.043 4.291 2.933 291 H PHE 35 HN PHE 35 -1.151 3.032 1.646 292 HA PHE 35 HA PHE 35 1.128 4.326 0.307 293 1HB PHE 35 HB2 PHE 35 1.505 1.555 0.076 294 2HB PHE 35 HB1 PHE 35 2.424 2.674 1.070 295 HD1 PHE 35 HD1 PHE 35 -0.962 1.101 1.340 296 HD2 PHE 35 HD2 PHE 35 2.814 1.835 3.153 297 HE1 PHE 35 HE1 PHE 35 -1.706 -0.083 3.364 298 HE2 PHE 35 HE2 PHE 35 2.077 0.656 5.181 299 HZ PHE 35 HZ PHE 35 -0.188 -0.305 5.288 300 HA PRO 36 HA PRO 36 -0.337 3.585 -3.784 301 1HB PRO 36 HB2 PRO 36 1.663 1.913 -4.793 302 2HB PRO 36 HB1 PRO 36 1.685 3.676 -4.809 303 1HG PRO 36 HG2 PRO 36 2.979 1.781 -2.904 304 2HG PRO 36 HG1 PRO 36 3.579 3.326 -3.538 305 1HD PRO 36 HD2 PRO 36 2.621 3.142 -1.057 306 2HD PRO 36 HD1 PRO 36 2.292 4.574 -2.054 307 H GLY 37 HN GLY 37 -0.989 1.838 -5.342 308 1HA GLY 37 HA2 GLY 37 -1.452 -0.489 -5.742 309 2HA GLY 37 HA1 GLY 37 -1.341 -0.753 -4.032 310 H GLY 38 HN GLY 38 -3.189 1.272 -6.176 311 1HA GLY 38 HA2 GLY 38 -5.670 0.330 -4.900 312 2HA GLY 38 HA1 GLY 38 -5.404 2.039 -5.238 313 H LYS 39 HN LYS 39 -7.047 -0.556 -6.317 314 HA LYS 39 HA LYS 39 -8.476 -0.285 -8.213 315 1HB LYS 39 HB2 LYS 39 -7.208 1.688 -9.053 316 2HB LYS 39 HB1 LYS 39 -6.020 0.583 -9.732 317 1HG LYS 39 HG2 LYS 39 -7.255 0.251 -11.534 318 2HG LYS 39 HG1 LYS 39 -8.666 -0.163 -10.560 319 1HD LYS 39 HD2 LYS 39 -7.791 2.669 -11.104 320 2HD LYS 39 HD1 LYS 39 -8.969 1.805 -12.093 321 1HE LYS 39 HE2 LYS 39 -10.375 2.879 -10.642 322 2HE LYS 39 HE1 LYS 39 -10.111 1.374 -9.762 323 1HZ LYS 39 HZ1 LYS 39 -9.831 3.721 -8.628 324 2HZ LYS 39 HZ2 LYS 39 -8.264 3.578 -9.247 325 3HZ LYS 39 HZ3 LYS 39 -8.864 2.403 -8.189 326 H ILE 40 HN ILE 40 -5.956 -2.189 -7.340 327 HA ILE 40 HA ILE 40 -5.392 -3.802 -9.519 328 HB ILE 40 HB ILE 40 -4.662 -5.475 -8.082 329 1HG1 ILE 40 2HG1 ILE 40 -5.940 -4.575 -5.587 330 2HG1 ILE 40 1HG1 ILE 40 -7.065 -5.208 -6.779 331 1HG2 ILE 40 1HG2 ILE 40 -4.394 -3.333 -6.083 332 2HG2 ILE 40 2HG2 ILE 40 -3.873 -2.942 -7.719 333 3HG2 ILE 40 3HG2 ILE 40 -3.161 -4.314 -6.871 334 1HD1 ILE 40 1HD1 ILE 40 -6.286 -7.318 -6.603 335 2HD1 ILE 40 2HD1 ILE 40 -5.867 -6.745 -4.989 336 3HD1 ILE 40 3HD1 ILE 40 -4.637 -6.803 -6.252 337 H GLU 41 HN GLU 41 -8.231 -3.527 -7.665 338 HA GLU 41 HA GLU 41 -9.609 -5.840 -7.955 339 1HB GLU 41 HB2 GLU 41 -11.659 -4.299 -8.207 340 2HB GLU 41 HB1 GLU 41 -10.670 -4.142 -6.767 341 1HG GLU 41 HG2 GLU 41 -10.504 -1.979 -7.188 342 2HG GLU 41 HG1 GLU 41 -9.542 -2.373 -8.602 343 H MET 42 HN MET 42 -9.806 -3.160 -10.285 344 HA MET 42 HA MET 42 -11.019 -3.344 -12.353 345 1HB MET 42 HB2 MET 42 -8.217 -3.387 -12.227 346 2HB MET 42 HB1 MET 42 -8.643 -4.515 -13.504 347 1HG MET 42 HG2 MET 42 -10.049 -2.742 -14.521 348 2HG MET 42 HG1 MET 42 -9.432 -1.623 -13.306 349 1HE MET 42 HE1 MET 42 -7.551 -3.284 -17.016 350 2HE MET 42 HE2 MET 42 -8.804 -4.021 -16.017 351 3HE MET 42 HE3 MET 42 -7.103 -4.334 -15.671 352 H GLY 43 HN GLY 43 -8.865 -6.147 -12.617 353 1HA GLY 43 HA2 GLY 43 -10.815 -8.155 -12.501 354 2HA GLY 43 HA1 GLY 43 -10.671 -7.633 -14.164 355 H GLU 44 HN GLU 44 -8.054 -7.701 -11.885 356 HA GLU 44 HA GLU 44 -6.582 -9.478 -13.659 357 1HB GLU 44 HB2 GLU 44 -5.891 -7.536 -11.548 358 2HB GLU 44 HB1 GLU 44 -4.847 -8.948 -11.639 359 1HG GLU 44 HG2 GLU 44 -3.724 -7.716 -13.129 360 2HG GLU 44 HG1 GLU 44 -4.973 -8.267 -14.245 361 H THR 45 HN THR 45 -4.909 -10.870 -12.137 362 HA THR 45 HA THR 45 -6.683 -12.741 -10.751 363 HB THR 45 HB THR 45 -3.936 -13.629 -11.012 364 HG1 THR 45 HG1 THR 45 -3.841 -13.637 -13.260 365 1HG2 THR 45 1HG2 THR 45 -5.256 -15.439 -10.948 366 2HG2 THR 45 2HG2 THR 45 -5.304 -15.205 -12.696 367 3HG2 THR 45 3HG2 THR 45 -6.623 -14.606 -11.688 368 HA PRO 46 HA PRO 46 -5.456 -11.947 -6.597 369 1HB PRO 46 HB2 PRO 46 -4.319 -14.489 -6.019 370 2HB PRO 46 HB1 PRO 46 -5.954 -13.938 -5.656 371 1HG PRO 46 HG2 PRO 46 -4.974 -15.574 -7.930 372 2HG PRO 46 HG1 PRO 46 -6.548 -15.602 -7.114 373 1HD PRO 46 HD2 PRO 46 -6.279 -14.520 -9.536 374 2HD PRO 46 HD1 PRO 46 -7.343 -13.777 -8.325 375 H GLU 47 HN GLU 47 -3.157 -13.361 -8.831 376 HA GLU 47 HA GLU 47 -0.931 -12.361 -7.203 377 1HB GLU 47 HB2 GLU 47 -1.257 -14.580 -9.116 378 2HB GLU 47 HB1 GLU 47 0.263 -13.705 -9.243 379 1HG GLU 47 HG2 GLU 47 0.794 -15.366 -7.753 380 2HG GLU 47 HG1 GLU 47 0.376 -14.035 -6.675 381 H GLN 48 HN GLN 48 -2.350 -12.165 -10.440 382 HA GLN 48 HA GLN 48 -0.333 -10.343 -11.391 383 1HB GLN 48 HB2 GLN 48 -2.985 -11.161 -12.586 384 2HB GLN 48 HB1 GLN 48 -1.770 -10.187 -13.404 385 1HG GLN 48 HG2 GLN 48 -0.345 -12.391 -12.606 386 2HG GLN 48 HG1 GLN 48 -1.919 -13.068 -13.022 387 1HE2 GLN 48 1HE2 GLN 48 0.404 -13.653 -14.429 388 2HE2 GLN 48 2HE2 GLN 48 0.271 -12.999 -16.023 389 H ALA 49 HN ALA 49 -3.091 -9.999 -9.472 390 HA ALA 49 HA ALA 49 -4.151 -7.559 -10.342 391 1HB ALA 49 HB1 ALA 49 -5.019 -9.204 -8.548 392 2HB ALA 49 HB2 ALA 49 -5.308 -7.479 -8.334 393 3HB ALA 49 HB3 ALA 49 -4.012 -8.274 -7.438 394 H VAL 50 HN VAL 50 -1.703 -8.188 -7.829 395 HA VAL 50 HA VAL 50 -1.125 -5.387 -7.544 396 HB VAL 50 HB VAL 50 0.313 -5.931 -5.814 397 1HG1 VAL 50 1HG1 VAL 50 -1.004 -8.463 -5.329 398 2HG1 VAL 50 2HG1 VAL 50 -2.133 -7.228 -5.887 399 3HG1 VAL 50 3HG1 VAL 50 -1.138 -6.934 -4.462 400 1HG2 VAL 50 1HG2 VAL 50 1.860 -7.327 -7.064 401 2HG2 VAL 50 2HG2 VAL 50 0.707 -8.661 -7.039 402 3HG2 VAL 50 3HG2 VAL 50 1.438 -8.099 -5.536 403 H VAL 51 HN VAL 51 0.575 -8.189 -8.913 404 HA VAL 51 HA VAL 51 2.930 -6.942 -9.668 405 HB VAL 51 HB VAL 51 1.535 -9.126 -11.221 406 1HG1 VAL 51 1HG1 VAL 51 4.130 -7.830 -11.438 407 2HG1 VAL 51 2HG1 VAL 51 3.293 -8.886 -12.575 408 3HG1 VAL 51 3HG1 VAL 51 4.254 -9.581 -11.269 409 1HG2 VAL 51 1HG2 VAL 51 2.079 -10.638 -9.654 410 2HG2 VAL 51 2HG2 VAL 51 2.168 -9.249 -8.571 411 3HG2 VAL 51 3HG2 VAL 51 3.634 -9.879 -9.321 412 H ARG 52 HN ARG 52 -0.181 -7.032 -11.302 413 HA ARG 52 HA ARG 52 0.820 -5.732 -13.650 414 1HB ARG 52 HB2 ARG 52 -1.164 -7.303 -13.587 415 2HB ARG 52 HB1 ARG 52 -2.067 -6.002 -12.824 416 1HG ARG 52 HG2 ARG 52 -2.580 -5.997 -15.147 417 2HG ARG 52 HG1 ARG 52 -1.579 -4.584 -14.809 418 1HD ARG 52 HD2 ARG 52 -0.348 -5.275 -16.546 419 2HD ARG 52 HD1 ARG 52 0.292 -6.477 -15.427 420 HE ARG 52 HE ARG 52 -0.858 -8.103 -16.561 421 1HH1 ARG 52 1HH1 ARG 52 -2.059 -4.972 -17.529 422 2HH1 ARG 52 2HH1 ARG 52 -3.025 -5.603 -18.821 423 1HH2 ARG 52 1HH2 ARG 52 -2.129 -8.934 -18.258 424 2HH2 ARG 52 2HH2 ARG 52 -3.066 -7.852 -19.235 425 H GLU 53 HN GLU 53 -1.312 -4.744 -10.979 426 HA GLU 53 HA GLU 53 -1.523 -2.054 -11.806 427 1HB GLU 53 HB2 GLU 53 -2.260 -3.622 -9.426 428 2HB GLU 53 HB1 GLU 53 -1.960 -1.918 -9.120 429 1HG GLU 53 HG2 GLU 53 -3.957 -3.095 -11.035 430 2HG GLU 53 HG1 GLU 53 -4.290 -2.240 -9.530 431 H LEU 54 HN LEU 54 0.943 -3.786 -10.101 432 HA LEU 54 HA LEU 54 2.135 -1.790 -8.601 433 1HB LEU 54 HB2 LEU 54 2.849 -4.375 -9.506 434 2HB LEU 54 HB1 LEU 54 4.184 -3.312 -9.905 435 HG LEU 54 HG LEU 54 4.431 -2.650 -7.602 436 1HD1 LEU 54 1HD1 LEU 54 1.766 -3.852 -7.358 437 2HD1 LEU 54 2HD1 LEU 54 2.513 -2.543 -6.443 438 3HD1 LEU 54 3HD1 LEU 54 2.871 -4.221 -6.035 439 1HD2 LEU 54 1HD2 LEU 54 4.459 -5.483 -8.387 440 2HD2 LEU 54 2HD2 LEU 54 4.530 -5.173 -6.652 441 3HD2 LEU 54 3HD2 LEU 54 5.742 -4.473 -7.724 442 H GLN 55 HN GLN 55 2.544 -2.534 -12.039 443 HA GLN 55 HA GLN 55 4.486 -0.563 -12.584 444 1HB GLN 55 HB2 GLN 55 2.902 -2.437 -14.071 445 2HB GLN 55 HB1 GLN 55 2.789 -0.866 -14.855 446 1HG GLN 55 HG2 GLN 55 5.478 -1.115 -14.293 447 2HG GLN 55 HG1 GLN 55 4.993 -2.745 -14.756 448 1HE2 GLN 55 1HE2 GLN 55 5.856 0.319 -15.842 449 2HE2 GLN 55 2HE2 GLN 55 5.470 0.114 -17.514 450 H GLU 56 HN GLU 56 0.998 -0.512 -12.359 451 HA GLU 56 HA GLU 56 0.704 2.174 -13.334 452 1HB GLU 56 HB2 GLU 56 -1.014 0.114 -13.113 453 2HB GLU 56 HB1 GLU 56 -1.405 0.970 -11.631 454 1HG GLU 56 HG2 GLU 56 -1.507 3.040 -13.255 455 2HG GLU 56 HG1 GLU 56 -1.807 1.785 -14.456 456 H GLU 57 HN GLU 57 1.365 0.667 -10.284 457 HA GLU 57 HA GLU 57 0.860 3.208 -8.902 458 1HB GLU 57 HB2 GLU 57 0.913 0.363 -7.953 459 2HB GLU 57 HB1 GLU 57 1.093 1.697 -6.821 460 1HG GLU 57 HG2 GLU 57 -1.229 0.810 -7.066 461 2HG GLU 57 HG1 GLU 57 -1.057 2.543 -7.331 462 H VAL 58 HN VAL 58 3.335 1.847 -10.400 463 HA VAL 58 HA VAL 58 5.293 2.929 -8.499 464 HB VAL 58 HB VAL 58 5.386 0.255 -9.880 465 1HG1 VAL 58 1HG1 VAL 58 7.721 0.033 -9.437 466 2HG1 VAL 58 2HG1 VAL 58 7.781 1.621 -8.675 467 3HG1 VAL 58 3HG1 VAL 58 7.480 1.482 -10.407 468 1HG2 VAL 58 1HG2 VAL 58 5.378 -0.641 -7.815 469 2HG2 VAL 58 2HG2 VAL 58 4.671 0.911 -7.365 470 3HG2 VAL 58 3HG2 VAL 58 6.399 0.632 -7.145 471 H GLY 59 HN GLY 59 4.630 1.844 -11.797 472 1HA GLY 59 HA2 GLY 59 5.176 2.744 -13.814 473 2HA GLY 59 HA1 GLY 59 5.559 4.223 -12.977 474 H ILE 60 HN ILE 60 7.649 3.186 -11.397 475 HA ILE 60 HA ILE 60 9.754 3.133 -13.364 476 HB ILE 60 HB ILE 60 11.144 3.055 -11.132 477 1HG1 ILE 60 2HG1 ILE 60 8.979 4.680 -9.980 478 2HG1 ILE 60 1HG1 ILE 60 8.735 2.937 -9.953 479 1HG2 ILE 60 1HG2 ILE 60 11.626 5.209 -11.526 480 2HG2 ILE 60 2HG2 ILE 60 9.933 5.698 -11.497 481 3HG2 ILE 60 3HG2 ILE 60 10.607 4.945 -12.941 482 1HD1 ILE 60 1HD1 ILE 60 9.749 3.473 -7.911 483 2HD1 ILE 60 2HD1 ILE 60 10.942 4.515 -8.686 484 3HD1 ILE 60 3HD1 ILE 60 11.024 2.768 -8.903 485 H THR 61 HN THR 61 11.755 1.772 -12.309 486 HA THR 61 HA THR 61 10.796 -0.992 -12.188 487 HB THR 61 HB THR 61 13.273 -1.301 -12.920 488 HG1 THR 61 HG1 THR 61 14.097 0.455 -14.032 489 1HG2 THR 61 1HG2 THR 61 12.720 -1.046 -15.274 490 2HG2 THR 61 2HG2 THR 61 11.306 -0.080 -14.839 491 3HG2 THR 61 3HG2 THR 61 11.379 -1.790 -14.401 492 HA PRO 62 HA PRO 62 13.033 -0.473 -8.240 493 1HB PRO 62 HB2 PRO 62 11.066 -0.613 -6.547 494 2HB PRO 62 HB1 PRO 62 11.071 0.729 -7.699 495 1HG PRO 62 HG2 PRO 62 9.467 -1.791 -7.753 496 2HG PRO 62 HG1 PRO 62 8.973 -0.140 -8.158 497 1HD PRO 62 HD2 PRO 62 9.900 -2.142 -9.959 498 2HD PRO 62 HD1 PRO 62 9.590 -0.435 -10.319 499 H GLN 63 HN GLN 63 13.719 -1.919 -6.659 500 HA GLN 63 HA GLN 63 13.269 -4.721 -7.165 501 1HB GLN 63 HB2 GLN 63 14.775 -3.179 -5.042 502 2HB GLN 63 HB1 GLN 63 14.647 -4.934 -5.016 503 1HG GLN 63 HG2 GLN 63 15.793 -5.088 -7.133 504 2HG GLN 63 HG1 GLN 63 15.831 -3.332 -7.270 505 1HE2 GLN 63 1HE2 GLN 63 18.163 -3.862 -7.542 506 2HE2 GLN 63 2HE2 GLN 63 19.136 -3.939 -6.117 507 H HIS 64 HN HIS 64 10.983 -4.576 -6.942 508 HA HIS 64 HA HIS 64 10.062 -4.470 -4.148 509 1HB HIS 64 HB2 HIS 64 9.209 -2.521 -5.146 510 2HB HIS 64 HB1 HIS 64 8.954 -3.320 -6.669 511 HD1 HIS 64 HD1 HIS 64 7.534 -5.116 -3.779 512 HD2 HIS 64 HD2 HIS 64 6.298 -2.246 -6.511 513 HE1 HIS 64 HE1 HIS 64 5.032 -5.062 -3.605 514 HE2 HIS 64 HE2 HIS 64 4.332 -3.176 -5.116 515 H PHE 65 HN PHE 65 9.281 -6.330 -3.446 516 HA PHE 65 HA PHE 65 7.383 -7.888 -4.790 517 1HB PHE 65 HB2 PHE 65 9.663 -8.228 -6.069 518 2HB PHE 65 HB1 PHE 65 9.977 -9.316 -4.732 519 HD1 PHE 65 HD1 PHE 65 6.972 -8.577 -6.804 520 HD2 PHE 65 HD2 PHE 65 9.698 -11.517 -5.378 521 HE1 PHE 65 HE1 PHE 65 5.680 -10.324 -7.955 522 HE2 PHE 65 HE2 PHE 65 8.412 -13.271 -6.528 523 HZ PHE 65 HZ PHE 65 6.400 -12.674 -7.820 524 H SER 66 HN SER 66 7.185 -10.123 -3.768 525 HA SER 66 HA SER 66 7.354 -11.592 -1.983 526 1HB SER 66 HB2 SER 66 9.545 -10.249 -1.381 527 2HB SER 66 HB1 SER 66 8.508 -9.526 -0.150 528 HG SER 66 HG SER 66 7.982 -11.801 0.394 529 H LEU 67 HN LEU 67 5.933 -11.995 -0.286 530 HA LEU 67 HA LEU 67 3.851 -9.966 0.003 531 1HB LEU 67 HB2 LEU 67 3.677 -12.613 -0.537 532 2HB LEU 67 HB1 LEU 67 3.475 -12.636 1.204 533 HG LEU 67 HG LEU 67 1.304 -12.571 0.214 534 1HD1 LEU 67 1HD1 LEU 67 2.128 -10.811 2.100 535 2HD1 LEU 67 2HD1 LEU 67 0.452 -11.018 1.591 536 3HD1 LEU 67 3HD1 LEU 67 1.429 -9.721 0.904 537 1HD2 LEU 67 1HD2 LEU 67 0.799 -10.374 -1.148 538 2HD2 LEU 67 2HD2 LEU 67 1.459 -11.808 -1.936 539 3HD2 LEU 67 3HD2 LEU 67 2.523 -10.470 -1.502 540 H PHE 68 HN PHE 68 3.570 -8.839 1.803 541 HA PHE 68 HA PHE 68 5.190 -9.476 4.143 542 1HB PHE 68 HB2 PHE 68 5.444 -7.230 3.920 543 2HB PHE 68 HB1 PHE 68 3.953 -7.051 3.009 544 HD1 PHE 68 HD1 PHE 68 1.772 -6.969 4.280 545 HD2 PHE 68 HD2 PHE 68 5.563 -6.648 6.183 546 HE1 PHE 68 HE1 PHE 68 0.692 -5.955 6.240 547 HE2 PHE 68 HE2 PHE 68 4.491 -5.632 8.150 548 HZ PHE 68 HZ PHE 68 2.053 -5.279 8.181 549 H GLU 69 HN GLU 69 1.810 -8.718 3.364 550 HA GLU 69 HA GLU 69 0.755 -10.726 5.049 551 1HB GLU 69 HB2 GLU 69 1.577 -8.653 6.557 552 2HB GLU 69 HB1 GLU 69 -0.031 -8.079 6.136 553 1HG GLU 69 HG2 GLU 69 -0.955 -10.216 6.995 554 2HG GLU 69 HG1 GLU 69 0.666 -10.650 7.534 555 H LYS 70 HN LYS 70 -1.658 -10.586 5.162 556 HA LYS 70 HA LYS 70 -2.833 -8.784 3.187 557 1HB LYS 70 HB2 LYS 70 -4.049 -10.690 2.121 558 2HB LYS 70 HB1 LYS 70 -2.312 -10.712 1.848 559 1HG LYS 70 HG2 LYS 70 -2.039 -12.654 2.927 560 2HG LYS 70 HG1 LYS 70 -3.183 -12.222 4.200 561 1HD LYS 70 HD2 LYS 70 -4.004 -14.126 2.930 562 2HD LYS 70 HD1 LYS 70 -5.045 -12.723 2.677 563 1HE LYS 70 HE2 LYS 70 -3.370 -12.360 0.637 564 2HE LYS 70 HE1 LYS 70 -3.222 -14.110 0.793 565 1HZ LYS 70 HZ1 LYS 70 -5.865 -12.797 0.655 566 2HZ LYS 70 HZ2 LYS 70 -5.473 -14.412 0.346 567 3HZ LYS 70 HZ3 LYS 70 -5.014 -13.207 -0.748 568 H LEU 71 HN LEU 71 -4.799 -8.072 3.782 569 HA LEU 71 HA LEU 71 -6.185 -9.500 5.950 570 1HB LEU 71 HB2 LEU 71 -5.249 -7.511 6.882 571 2HB LEU 71 HB1 LEU 71 -5.800 -6.544 5.529 572 HG LEU 71 HG LEU 71 -8.169 -7.461 6.451 573 1HD1 LEU 71 1HD1 LEU 71 -6.371 -7.183 8.853 574 2HD1 LEU 71 2HD1 LEU 71 -7.215 -8.640 8.329 575 3HD1 LEU 71 3HD1 LEU 71 -8.133 -7.251 8.908 576 1HD2 LEU 71 1HD2 LEU 71 -6.793 -5.051 7.614 577 2HD2 LEU 71 2HD2 LEU 71 -8.518 -5.282 7.325 578 3HD2 LEU 71 3HD2 LEU 71 -7.410 -5.115 5.963 579 H GLU 72 HN GLU 72 -8.230 -10.060 5.538 580 HA GLU 72 HA GLU 72 -9.570 -8.810 3.234 581 1HB GLU 72 HB2 GLU 72 -9.183 -11.025 2.585 582 2HB GLU 72 HB1 GLU 72 -9.493 -11.652 4.197 583 1HG GLU 72 HG2 GLU 72 -11.780 -11.558 3.940 584 2HG GLU 72 HG1 GLU 72 -11.690 -10.354 2.656 585 H TYR 73 HN TYR 73 -11.081 -7.454 3.941 586 HA TYR 73 HA TYR 73 -12.996 -8.402 5.938 587 1HB TYR 73 HB2 TYR 73 -12.947 -6.239 7.116 588 2HB TYR 73 HB1 TYR 73 -11.390 -7.057 7.201 589 HD1 TYR 73 HD1 TYR 73 -9.641 -6.351 5.391 590 HD2 TYR 73 HD2 TYR 73 -13.029 -4.015 6.470 591 HE1 TYR 73 HE1 TYR 73 -8.536 -4.344 4.496 592 HE2 TYR 73 HE2 TYR 73 -11.934 -2.003 5.576 593 HH TYR 73 HH TYR 73 -9.122 -2.141 3.651 594 H GLU 74 HN GLU 74 -15.074 -7.558 5.713 595 HA GLU 74 HA GLU 74 -15.503 -6.042 3.227 596 1HB GLU 74 HB2 GLU 74 -17.798 -7.038 3.251 597 2HB GLU 74 HB1 GLU 74 -16.500 -8.205 3.035 598 1HG GLU 74 HG2 GLU 74 -16.654 -8.638 5.518 599 2HG GLU 74 HG1 GLU 74 -18.142 -7.692 5.496 600 H PHE 75 HN PHE 75 -16.501 -4.150 3.282 601 HA PHE 75 HA PHE 75 -17.163 -2.971 5.821 602 1HB PHE 75 HB2 PHE 75 -16.694 -2.056 3.052 603 2HB PHE 75 HB1 PHE 75 -17.847 -1.108 3.971 604 HD1 PHE 75 HD1 PHE 75 -16.634 -1.303 6.690 605 HD2 PHE 75 HD2 PHE 75 -14.862 -0.644 2.875 606 HE1 PHE 75 HE1 PHE 75 -14.773 -0.109 7.764 607 HE2 PHE 75 HE2 PHE 75 -12.996 0.549 3.945 608 HZ PHE 75 HZ PHE 75 -12.950 0.818 6.392 609 HA PRO 76 HA PRO 76 -21.545 -3.347 5.969 610 1HB PRO 76 HB2 PRO 76 -22.372 -0.678 5.925 611 2HB PRO 76 HB1 PRO 76 -21.930 -1.600 7.363 612 1HG PRO 76 HG2 PRO 76 -20.308 0.330 5.776 613 2HG PRO 76 HG1 PRO 76 -20.327 0.048 7.526 614 1HD PRO 76 HD2 PRO 76 -18.347 -0.876 5.973 615 2HD PRO 76 HD1 PRO 76 -18.938 -1.805 7.366 616 H ASP 77 HN ASP 77 -21.489 -4.228 3.810 617 HA ASP 77 HA ASP 77 -22.779 -4.451 1.898 618 1HB ASP 77 HB2 ASP 77 -24.101 -2.396 2.761 619 2HB ASP 77 HB1 ASP 77 -23.083 -1.469 1.661 620 H ARG 78 HN ARG 78 -19.856 -3.409 2.390 621 HA ARG 78 HA ARG 78 -19.251 -3.209 -0.469 622 1HB ARG 78 HB2 ARG 78 -19.112 -1.015 1.192 623 2HB ARG 78 HB1 ARG 78 -17.458 -1.611 1.209 624 1HG ARG 78 HG2 ARG 78 -17.391 -1.513 -1.229 625 2HG ARG 78 HG1 ARG 78 -19.055 -0.925 -1.251 626 1HD ARG 78 HD2 ARG 78 -17.512 0.927 -1.500 627 2HD ARG 78 HD1 ARG 78 -18.359 1.046 0.042 628 HE ARG 78 HE ARG 78 -16.087 -0.250 0.704 629 1HH1 ARG 78 1HH1 ARG 78 -16.703 2.695 -1.066 630 2HH1 ARG 78 2HH1 ARG 78 -15.216 3.440 -0.590 631 1HH2 ARG 78 1HH2 ARG 78 -14.129 0.730 1.331 632 2HH2 ARG 78 2HH2 ARG 78 -13.753 2.325 0.772 633 H HIS 79 HN HIS 79 -18.461 -5.295 -0.548 634 HA HIS 79 HA HIS 79 -16.599 -6.289 1.395 635 1HB HIS 79 HB2 HIS 79 -18.226 -7.692 0.031 636 2HB HIS 79 HB1 HIS 79 -17.145 -7.452 -1.338 637 HD1 HIS 79 HD1 HIS 79 -17.871 -10.135 0.462 638 HD2 HIS 79 HD2 HIS 79 -14.301 -8.020 0.228 639 HE1 HIS 79 HE1 HIS 79 -16.080 -11.758 1.160 640 HE2 HIS 79 HE2 HIS 79 -13.920 -10.481 0.926 641 H ILE 80 HN ILE 80 -14.497 -5.810 1.466 642 HA ILE 80 HA ILE 80 -13.153 -5.193 -1.071 643 HB ILE 80 HB ILE 80 -11.944 -3.403 -0.170 644 1HG1 ILE 80 2HG1 ILE 80 -12.949 -4.261 2.551 645 2HG1 ILE 80 1HG1 ILE 80 -11.294 -4.364 1.956 646 1HG2 ILE 80 1HG2 ILE 80 -14.275 -2.570 1.324 647 2HG2 ILE 80 2HG2 ILE 80 -14.712 -3.350 -0.197 648 3HG2 ILE 80 3HG2 ILE 80 -13.628 -1.958 -0.197 649 1HD1 ILE 80 1HD1 ILE 80 -12.205 -1.666 1.752 650 2HD1 ILE 80 2HD1 ILE 80 -10.872 -2.327 2.698 651 3HD1 ILE 80 3HD1 ILE 80 -12.495 -2.270 3.384 652 H THR 81 HN THR 81 -11.025 -5.803 -1.306 653 HA THR 81 HA THR 81 -10.032 -7.720 0.691 654 HB THR 81 HB THR 81 -8.667 -8.199 -1.669 655 HG1 THR 81 HG1 THR 81 -11.388 -7.741 -2.287 656 1HG2 THR 81 1HG2 THR 81 -10.991 -9.831 -1.671 657 2HG2 THR 81 2HG2 THR 81 -10.447 -9.607 -0.008 658 3HG2 THR 81 3HG2 THR 81 -9.339 -10.252 -1.220 659 H LEU 82 HN LEU 82 -8.308 -6.989 1.789 660 HA LEU 82 HA LEU 82 -6.649 -4.914 0.529 661 1HB LEU 82 HB2 LEU 82 -7.748 -4.335 2.663 662 2HB LEU 82 HB1 LEU 82 -6.899 -5.655 3.443 663 HG LEU 82 HG LEU 82 -4.749 -4.441 2.651 664 1HD1 LEU 82 1HD1 LEU 82 -6.873 -2.486 2.033 665 2HD1 LEU 82 2HD1 LEU 82 -5.280 -2.706 1.305 666 3HD1 LEU 82 3HD1 LEU 82 -5.439 -1.859 2.845 667 1HD2 LEU 82 1HD2 LEU 82 -5.701 -4.683 4.997 668 2HD2 LEU 82 2HD2 LEU 82 -6.354 -3.060 4.783 669 3HD2 LEU 82 3HD2 LEU 82 -4.612 -3.325 4.717 670 H TRP 83 HN TRP 83 -4.838 -5.631 -0.350 671 HA TRP 83 HA TRP 83 -3.447 -7.891 0.927 672 1HB TRP 83 HB2 TRP 83 -3.372 -6.972 -1.957 673 2HB TRP 83 HB1 TRP 83 -2.381 -8.267 -1.292 674 HD1 TRP 83 HD1 TRP 83 -6.114 -7.791 -0.543 675 HE1 TRP 83 HE1 TRP 83 -7.389 -9.851 -1.391 676 HE3 TRP 83 HE3 TRP 83 -2.261 -10.216 -2.850 677 HZ2 TRP 83 HZ2 TRP 83 -6.833 -12.208 -2.849 678 HZ3 TRP 83 HZ3 TRP 83 -2.713 -12.371 -3.948 679 HH2 TRP 83 HH2 TRP 83 -4.952 -13.346 -3.946 680 H PHE 84 HN PHE 84 -1.625 -7.441 1.898 681 HA PHE 84 HA PHE 84 -0.238 -4.938 1.215 682 1HB PHE 84 HB2 PHE 84 -0.490 -6.483 3.766 683 2HB PHE 84 HB1 PHE 84 0.932 -5.479 3.509 684 HD1 PHE 84 HD1 PHE 84 0.234 -4.198 5.516 685 HD2 PHE 84 HD2 PHE 84 -2.154 -4.354 1.994 686 HE1 PHE 84 HE1 PHE 84 -1.020 -2.228 6.280 687 HE2 PHE 84 HE2 PHE 84 -3.409 -2.382 2.754 688 HZ PHE 84 HZ PHE 84 -2.843 -1.317 4.900 689 H TRP 85 HN TRP 85 1.376 -5.263 -0.169 690 HA TRP 85 HA TRP 85 2.921 -7.749 -0.004 691 1HB TRP 85 HB2 TRP 85 2.659 -5.691 -2.199 692 2HB TRP 85 HB1 TRP 85 3.781 -7.048 -2.262 693 HD1 TRP 85 HD1 TRP 85 -0.041 -6.605 -1.682 694 HE1 TRP 85 HE1 TRP 85 -1.249 -8.511 -2.919 695 HE3 TRP 85 HE3 TRP 85 4.030 -9.085 -3.526 696 HZ2 TRP 85 HZ2 TRP 85 -0.567 -10.768 -4.471 697 HZ3 TRP 85 HZ3 TRP 85 3.667 -11.110 -4.876 698 HH2 TRP 85 HH2 TRP 85 1.415 -11.933 -5.337 699 H LEU 86 HN LEU 86 5.172 -7.762 0.056 700 HA LEU 86 HA LEU 86 6.318 -5.444 1.388 701 1HB LEU 86 HB2 LEU 86 6.637 -7.600 2.422 702 2HB LEU 86 HB1 LEU 86 7.361 -8.238 0.959 703 HG LEU 86 HG LEU 86 9.171 -6.444 1.286 704 1HD1 LEU 86 1HD1 LEU 86 9.321 -5.270 3.211 705 2HD1 LEU 86 2HD1 LEU 86 8.577 -6.545 4.177 706 3HD1 LEU 86 3HD1 LEU 86 7.569 -5.477 3.200 707 1HD2 LEU 86 1HD2 LEU 86 9.056 -9.044 1.948 708 2HD2 LEU 86 2HD2 LEU 86 9.354 -8.340 3.537 709 3HD2 LEU 86 3HD2 LEU 86 10.478 -8.034 2.212 710 H VAL 87 HN VAL 87 7.939 -4.227 0.664 711 HA VAL 87 HA VAL 87 9.062 -4.763 -2.015 712 HB VAL 87 HB VAL 87 8.510 -2.065 -0.840 713 1HG1 VAL 87 1HG1 VAL 87 8.719 -1.693 -3.507 714 2HG1 VAL 87 2HG1 VAL 87 9.859 -3.013 -3.260 715 3HG1 VAL 87 3HG1 VAL 87 10.053 -1.508 -2.370 716 1HG2 VAL 87 1HG2 VAL 87 6.747 -3.937 -2.129 717 2HG2 VAL 87 2HG2 VAL 87 6.906 -2.478 -3.109 718 3HG2 VAL 87 3HG2 VAL 87 6.370 -2.360 -1.432 719 H GLU 88 HN GLU 88 11.275 -4.273 -2.291 720 HA GLU 88 HA GLU 88 12.570 -3.687 0.276 721 1HB GLU 88 HB2 GLU 88 14.042 -5.028 -1.956 722 2HB GLU 88 HB1 GLU 88 14.328 -5.118 -0.224 723 1HG GLU 88 HG2 GLU 88 11.913 -6.294 -1.572 724 2HG GLU 88 HG1 GLU 88 13.402 -7.190 -1.270 725 H ARG 89 HN ARG 89 12.611 -2.713 -3.142 726 HA ARG 89 HA ARG 89 13.950 -0.292 -2.391 727 1HB ARG 89 HB2 ARG 89 16.045 -1.052 -2.590 728 2HB ARG 89 HB1 ARG 89 15.514 -2.553 -3.322 729 1HG ARG 89 HG2 ARG 89 16.706 -1.804 -5.066 730 2HG ARG 89 HG1 ARG 89 15.252 -0.885 -5.430 731 1HD ARG 89 HD2 ARG 89 16.243 0.963 -3.991 732 2HD ARG 89 HD1 ARG 89 17.747 0.047 -4.035 733 HE ARG 89 HE ARG 89 16.586 1.590 -6.172 734 1HH1 ARG 89 1HH1 ARG 89 18.794 -0.988 -5.357 735 2HH1 ARG 89 2HH1 ARG 89 19.725 -0.817 -6.805 736 1HH2 ARG 89 1HH2 ARG 89 17.812 1.818 -8.078 737 2HH2 ARG 89 2HH2 ARG 89 19.170 0.776 -8.350 738 H TRP 90 HN TRP 90 14.377 1.141 -4.314 739 HA TRP 90 HA TRP 90 12.903 0.431 -6.690 740 1HB TRP 90 HB2 TRP 90 11.324 2.183 -6.638 741 2HB TRP 90 HB1 TRP 90 11.259 1.437 -5.048 742 HD1 TRP 90 HD1 TRP 90 12.991 4.494 -6.708 743 HE1 TRP 90 HE1 TRP 90 12.974 6.416 -4.996 744 HE3 TRP 90 HE3 TRP 90 10.893 2.033 -2.753 745 HZ2 TRP 90 HZ2 TRP 90 12.159 6.835 -2.335 746 HZ3 TRP 90 HZ3 TRP 90 10.514 3.275 -0.659 747 HH2 TRP 90 HH2 TRP 90 11.141 5.625 -0.454 748 H GLU 91 HN GLU 91 13.738 1.275 -8.521 749 HA GLU 91 HA GLU 91 16.130 2.870 -8.270 750 1HB GLU 91 HB2 GLU 91 14.666 1.812 -10.694 751 2HB GLU 91 HB1 GLU 91 16.206 2.657 -10.755 752 1HG GLU 91 HG2 GLU 91 16.410 0.528 -8.877 753 2HG GLU 91 HG1 GLU 91 15.722 -0.097 -10.374 754 H GLY 92 HN GLY 92 16.458 4.961 -9.007 755 1HA GLY 92 HA2 GLY 92 15.910 7.144 -9.459 756 2HA GLY 92 HA1 GLY 92 14.618 6.498 -10.461 757 H GLU 93 HN GLU 93 12.632 7.061 -9.895 758 HA GLU 93 HA GLU 93 12.045 7.518 -7.057 759 1HB GLU 93 HB2 GLU 93 11.228 9.345 -9.322 760 2HB GLU 93 HB1 GLU 93 10.702 9.504 -7.651 761 1HG GLU 93 HG2 GLU 93 13.058 9.827 -6.982 762 2HG GLU 93 HG1 GLU 93 13.516 9.775 -8.684 763 HA PRO 94 HA PRO 94 8.520 4.999 -8.102 764 1HB PRO 94 HB2 PRO 94 7.278 5.756 -5.597 765 2HB PRO 94 HB1 PRO 94 8.034 4.222 -6.025 766 1HG PRO 94 HG2 PRO 94 9.073 5.937 -4.182 767 2HG PRO 94 HG1 PRO 94 10.058 4.826 -5.150 768 1HD PRO 94 HD2 PRO 94 9.547 7.752 -5.559 769 2HD PRO 94 HD1 PRO 94 11.067 6.844 -5.705 770 H TRP 95 HN TRP 95 6.789 5.515 -9.344 771 HA TRP 95 HA TRP 95 5.267 7.878 -8.565 772 1HB TRP 95 HB2 TRP 95 5.087 8.543 -10.987 773 2HB TRP 95 HB1 TRP 95 6.671 8.765 -10.261 774 HD1 TRP 95 HD1 TRP 95 8.659 7.243 -11.179 775 HE1 TRP 95 HE1 TRP 95 8.951 5.904 -13.367 776 HE3 TRP 95 HE3 TRP 95 3.773 7.018 -12.640 777 HZ2 TRP 95 HZ2 TRP 95 7.321 4.916 -15.439 778 HZ3 TRP 95 HZ3 TRP 95 3.222 5.869 -14.743 779 HH2 TRP 95 HH2 TRP 95 4.959 4.831 -16.108 780 H GLY 96 HN GLY 96 5.251 5.371 -11.100 781 1HA GLY 96 HA2 GLY 96 3.517 4.107 -11.937 782 2HA GLY 96 HA1 GLY 96 2.972 4.040 -10.274 783 H LYS 97 HN LYS 97 1.306 5.351 -9.579 784 HA LYS 97 HA LYS 97 0.239 7.538 -10.940 785 1HB LYS 97 HB2 LYS 97 -0.238 5.330 -12.437 786 2HB LYS 97 HB1 LYS 97 -1.674 5.339 -11.424 787 1HG LYS 97 HG2 LYS 97 -1.658 7.907 -12.158 788 2HG LYS 97 HG1 LYS 97 -0.842 7.203 -13.555 789 1HD LYS 97 HD2 LYS 97 -2.889 5.464 -13.246 790 2HD LYS 97 HD1 LYS 97 -3.639 6.952 -12.665 791 1HE LYS 97 HE2 LYS 97 -4.095 7.231 -14.862 792 2HE LYS 97 HE1 LYS 97 -2.458 7.885 -14.884 793 1HZ LYS 97 HZ1 LYS 97 -1.957 5.302 -15.258 794 2HZ LYS 97 HZ2 LYS 97 -2.211 6.390 -16.528 795 3HZ LYS 97 HZ3 LYS 97 -3.477 5.404 -15.995 796 H GLU 98 HN GLU 98 0.687 6.480 -8.241 797 HA GLU 98 HA GLU 98 -1.829 5.908 -7.026 798 1HB GLU 98 HB2 GLU 98 -0.621 6.375 -4.894 799 2HB GLU 98 HB1 GLU 98 0.197 5.210 -5.922 800 1HG GLU 98 HG2 GLU 98 1.563 7.222 -6.757 801 2HG GLU 98 HG1 GLU 98 0.947 8.040 -5.326 802 H GLY 99 HN GLY 99 -0.037 8.821 -7.763 803 1HA GLY 99 HA2 GLY 99 -0.708 11.015 -7.829 804 2HA GLY 99 HA1 GLY 99 -2.346 10.455 -7.542 805 H GLN 100 HN GLN 100 0.337 9.842 -5.343 806 HA GLN 100 HA GLN 100 -0.639 11.940 -3.554 807 1HB GLN 100 HB2 GLN 100 -0.355 9.044 -2.743 808 2HB GLN 100 HB1 GLN 100 -0.684 10.376 -1.644 809 1HG GLN 100 HG2 GLN 100 -2.785 10.818 -2.839 810 2HG GLN 100 HG1 GLN 100 -2.461 9.434 -3.882 811 1HE2 GLN 100 1HE2 GLN 100 -4.150 8.176 -3.295 812 2HE2 GLN 100 2HE2 GLN 100 -4.371 7.528 -1.707 813 HA PRO 101 HA PRO 101 3.913 12.385 -3.899 814 1HB PRO 101 HB2 PRO 101 2.895 14.607 -2.162 815 2HB PRO 101 HB1 PRO 101 4.163 14.650 -3.397 816 1HG PRO 101 HG2 PRO 101 1.765 15.577 -3.971 817 2HG PRO 101 HG1 PRO 101 2.613 14.555 -5.150 818 1HD PRO 101 HD2 PRO 101 0.334 13.880 -3.350 819 2HD PRO 101 HD1 PRO 101 0.691 13.299 -4.990 820 H GLY 102 HN GLY 102 5.259 11.305 -2.586 821 1HA GLY 102 HA2 GLY 102 4.791 11.436 0.322 822 2HA GLY 102 HA1 GLY 102 5.073 9.890 -0.455 823 H GLU 103 HN GLU 103 6.740 10.316 1.482 824 HA GLU 103 HA GLU 103 9.265 10.943 0.137 825 1HB GLU 103 HB2 GLU 103 8.264 12.829 1.715 826 2HB GLU 103 HB1 GLU 103 8.968 11.821 2.972 827 1HG GLU 103 HG2 GLU 103 11.015 11.988 1.186 828 2HG GLU 103 HG1 GLU 103 10.254 13.569 1.017 829 H TRP 104 HN TRP 104 11.143 9.972 1.186 830 HA TRP 104 HA TRP 104 10.596 7.328 2.085 831 1HB TRP 104 HB2 TRP 104 13.303 8.510 2.542 832 2HB TRP 104 HB1 TRP 104 12.868 6.935 1.889 833 HD1 TRP 104 HD1 TRP 104 11.031 8.017 -0.525 834 HE1 TRP 104 HE1 TRP 104 12.185 9.095 -2.561 835 HE3 TRP 104 HE3 TRP 104 15.497 9.259 1.633 836 HZ2 TRP 104 HZ2 TRP 104 14.660 10.309 -3.169 837 HZ3 TRP 104 HZ3 TRP 104 17.204 10.375 0.256 838 HH2 TRP 104 HH2 TRP 104 16.793 10.889 -2.096 839 H MET 105 HN MET 105 9.692 7.001 4.012 840 HA MET 105 HA MET 105 10.848 8.390 6.338 841 1HB MET 105 HB2 MET 105 8.512 7.838 7.368 842 2HB MET 105 HB1 MET 105 8.698 9.235 6.319 843 1HG MET 105 HG2 MET 105 7.921 7.751 4.427 844 2HG MET 105 HG1 MET 105 7.477 6.575 5.663 845 1HE MET 105 HE1 MET 105 6.557 10.762 5.252 846 2HE MET 105 HE2 MET 105 5.352 10.126 4.132 847 3HE MET 105 HE3 MET 105 7.054 9.709 3.928 848 H SER 106 HN SER 106 11.127 7.214 8.253 849 HA SER 106 HA SER 106 11.860 4.505 7.903 850 1HB SER 106 HB2 SER 106 12.340 4.507 10.287 851 2HB SER 106 HB1 SER 106 12.893 6.027 9.583 852 HG SER 106 HG SER 106 11.455 5.893 11.643 853 H LEU 107 HN LEU 107 10.513 2.865 7.672 854 HA LEU 107 HA LEU 107 7.779 3.018 8.548 855 1HB LEU 107 HB2 LEU 107 8.427 1.892 6.459 856 2HB LEU 107 HB1 LEU 107 9.308 0.691 7.385 857 HG LEU 107 HG LEU 107 7.106 0.104 8.495 858 1HD1 LEU 107 1HD1 LEU 107 6.250 2.324 6.882 859 2HD1 LEU 107 2HD1 LEU 107 5.371 1.433 8.124 860 3HD1 LEU 107 3HD1 LEU 107 5.352 0.867 6.454 861 1HD2 LEU 107 1HD2 LEU 107 8.092 -0.540 5.851 862 2HD2 LEU 107 2HD2 LEU 107 6.345 -0.747 5.966 863 3HD2 LEU 107 3HD2 LEU 107 7.409 -1.594 7.089 864 H VAL 108 HN VAL 108 10.711 1.903 9.920 865 HA VAL 108 HA VAL 108 9.865 -0.185 11.553 866 HB VAL 108 HB VAL 108 11.899 1.901 12.340 867 1HG1 VAL 108 1HG1 VAL 108 11.484 -0.980 13.115 868 2HG1 VAL 108 2HG1 VAL 108 11.392 0.441 14.156 869 3HG1 VAL 108 3HG1 VAL 108 12.944 -0.064 13.487 870 1HG2 VAL 108 1HG2 VAL 108 13.412 -0.034 11.303 871 2HG2 VAL 108 2HG2 VAL 108 12.815 1.320 10.343 872 3HG2 VAL 108 3HG2 VAL 108 11.984 -0.234 10.287 873 H GLY 109 HN GLY 109 9.107 3.170 11.730 874 1HA GLY 109 HA2 GLY 109 7.824 2.699 14.345 875 2HA GLY 109 HA1 GLY 109 8.670 4.197 13.996 876 H LEU 110 HN LEU 110 6.443 2.295 11.985 877 HA LEU 110 HA LEU 110 5.065 4.554 11.023 878 1HB LEU 110 HB2 LEU 110 5.067 2.461 9.802 879 2HB LEU 110 HB1 LEU 110 4.238 1.654 11.121 880 HG LEU 110 HG LEU 110 2.874 3.994 9.905 881 1HD1 LEU 110 1HD1 LEU 110 3.669 2.881 7.922 882 2HD1 LEU 110 2HD1 LEU 110 1.945 2.566 8.117 883 3HD1 LEU 110 3HD1 LEU 110 3.121 1.321 8.535 884 1HD2 LEU 110 1HD2 LEU 110 1.792 2.898 11.722 885 2HD2 LEU 110 2HD2 LEU 110 2.034 1.313 10.988 886 3HD2 LEU 110 3HD2 LEU 110 0.921 2.467 10.251 887 H ASN 111 HN ASN 111 2.946 5.319 11.485 888 HA ASN 111 HA ASN 111 2.053 4.665 14.207 889 1HB ASN 111 HB2 ASN 111 2.729 7.170 13.019 890 2HB ASN 111 HB1 ASN 111 1.020 7.186 13.439 891 1HD2 ASN 111 1HD2 ASN 111 3.858 5.702 14.959 892 2HD2 ASN 111 2HD2 ASN 111 3.636 6.449 16.501 893 H ALA 112 HN ALA 112 0.085 3.958 14.534 894 HA ALA 112 HA ALA 112 -1.655 3.417 12.342 895 1HB ALA 112 HB1 ALA 112 -2.945 2.189 13.826 896 2HB ALA 112 HB2 ALA 112 -2.541 3.227 15.194 897 3HB ALA 112 HB3 ALA 112 -1.343 2.099 14.562 898 H ASP 113 HN ASP 113 -1.180 6.121 14.355 899 HA ASP 113 HA ASP 113 -3.878 7.102 14.328 900 1HB ASP 113 HB2 ASP 113 -2.284 7.682 16.125 901 2HB ASP 113 HB1 ASP 113 -1.304 8.563 14.955 902 H ASP 114 HN ASP 114 -0.878 8.011 12.621 903 HA ASP 114 HA ASP 114 -2.087 10.037 11.058 904 1HB ASP 114 HB2 ASP 114 0.122 8.993 9.618 905 2HB ASP 114 HB1 ASP 114 0.041 10.472 10.554 906 H PHE 115 HN PHE 115 -1.636 6.602 10.594 907 HA PHE 115 HA PHE 115 -2.605 6.688 7.868 908 1HB PHE 115 HB2 PHE 115 -1.666 4.640 7.685 909 2HB PHE 115 HB1 PHE 115 -0.934 4.989 9.250 910 HD1 PHE 115 HD1 PHE 115 -3.107 4.668 11.085 911 HD2 PHE 115 HD2 PHE 115 -2.157 2.381 7.641 912 HE1 PHE 115 HE1 PHE 115 -4.230 2.724 12.085 913 HE2 PHE 115 HE2 PHE 115 -3.280 0.429 8.625 914 HZ PHE 115 HZ PHE 115 -4.318 0.605 10.848 915 HA PRO 116 HA PRO 116 -6.868 5.800 8.631 916 1HB PRO 116 HB2 PRO 116 -7.484 3.634 7.118 917 2HB PRO 116 HB1 PRO 116 -7.152 5.224 6.420 918 1HG PRO 116 HG2 PRO 116 -5.345 2.852 6.673 919 2HG PRO 116 HG1 PRO 116 -5.567 3.948 5.297 920 1HD PRO 116 HD2 PRO 116 -3.479 4.154 7.013 921 2HD PRO 116 HD1 PRO 116 -4.192 5.562 6.201 922 HA PRO 117 HA PRO 117 -6.729 2.884 12.048 923 1HB PRO 117 HB2 PRO 117 -9.327 3.220 12.839 924 2HB PRO 117 HB1 PRO 117 -8.016 4.326 13.266 925 1HG PRO 117 HG2 PRO 117 -10.064 4.562 11.095 926 2HG PRO 117 HG1 PRO 117 -9.463 5.806 12.208 927 1HD PRO 117 HD2 PRO 117 -8.595 5.640 9.669 928 2HD PRO 117 HD1 PRO 117 -7.519 6.132 10.993 929 H ALA 118 HN ALA 118 -8.833 2.741 9.311 930 HA ALA 118 HA ALA 118 -10.173 0.326 9.992 931 1HB ALA 118 HB1 ALA 118 -9.961 2.036 7.589 932 2HB ALA 118 HB2 ALA 118 -11.389 1.414 8.417 933 3HB ALA 118 HB3 ALA 118 -10.459 0.362 7.350 934 H ASN 119 HN ASN 119 -7.000 0.911 9.112 935 HA ASN 119 HA ASN 119 -6.686 -1.836 8.094 936 1HB ASN 119 HB2 ASN 119 -5.622 0.749 7.226 937 2HB ASN 119 HB1 ASN 119 -4.396 -0.509 7.355 938 1HD2 ASN 119 1HD2 ASN 119 -7.798 -0.805 6.472 939 2HD2 ASN 119 2HD2 ASN 119 -7.517 -1.413 4.879 940 H GLU 120 HN GLU 120 -6.698 -0.937 10.912 941 HA GLU 120 HA GLU 120 -3.980 -0.935 11.809 942 1HB GLU 120 HB2 GLU 120 -6.567 -0.489 12.969 943 2HB GLU 120 HB1 GLU 120 -5.652 -1.603 13.974 944 1HG GLU 120 HG2 GLU 120 -4.318 0.868 13.006 945 2HG GLU 120 HG1 GLU 120 -5.496 0.990 14.313 946 HA PRO 121 HA PRO 121 -5.479 -5.514 13.215 947 1HB PRO 121 HB2 PRO 121 -6.520 -5.988 10.448 948 2HB PRO 121 HB1 PRO 121 -7.006 -6.742 11.974 949 1HG PRO 121 HG2 PRO 121 -8.499 -4.830 10.888 950 2HG PRO 121 HG1 PRO 121 -8.250 -4.896 12.642 951 1HD PRO 121 HD2 PRO 121 -7.096 -3.033 10.635 952 2HD PRO 121 HD1 PRO 121 -7.477 -2.757 12.346 953 H VAL 122 HN VAL 122 -4.497 -4.552 9.950 954 HA VAL 122 HA VAL 122 -2.656 -6.729 9.640 955 HB VAL 122 HB VAL 122 -2.502 -4.237 7.990 956 1HG1 VAL 122 1HG1 VAL 122 -0.963 -6.213 7.706 957 2HG1 VAL 122 2HG1 VAL 122 -1.828 -5.703 6.256 958 3HG1 VAL 122 3HG1 VAL 122 -2.368 -7.123 7.152 959 1HG2 VAL 122 1HG2 VAL 122 -4.828 -6.036 8.205 960 2HG2 VAL 122 2HG2 VAL 122 -4.289 -5.655 6.569 961 3HG2 VAL 122 3HG2 VAL 122 -4.732 -4.356 7.676 962 H ILE 123 HN ILE 123 -2.342 -3.225 10.089 963 HA ILE 123 HA ILE 123 0.468 -3.191 10.282 964 HB ILE 123 HB ILE 123 -1.615 -1.251 11.275 965 1HG1 ILE 123 2HG1 ILE 123 -0.817 -1.859 8.716 966 2HG1 ILE 123 1HG1 ILE 123 -1.554 -0.344 9.215 967 1HG2 ILE 123 1HG2 ILE 123 0.240 -0.822 12.657 968 2HG2 ILE 123 2HG2 ILE 123 0.341 0.365 11.358 969 3HG2 ILE 123 3HG2 ILE 123 1.382 -1.058 11.334 970 1HD1 ILE 123 1HD1 ILE 123 0.592 -0.273 7.820 971 2HD1 ILE 123 2HD1 ILE 123 1.410 -0.716 9.320 972 3HD1 ILE 123 3HD1 ILE 123 0.472 0.777 9.234 973 H ALA 124 HN ALA 124 -2.054 -3.763 12.639 974 HA ALA 124 HA ALA 124 -0.672 -3.317 15.005 975 1HB ALA 124 HB1 ALA 124 -2.958 -3.749 15.224 976 2HB ALA 124 HB2 ALA 124 -2.190 -5.180 15.910 977 3HB ALA 124 HB3 ALA 124 -2.862 -5.236 14.280 978 H LYS 125 HN LYS 125 -0.484 -5.947 12.725 979 HA LYS 125 HA LYS 125 0.935 -7.757 14.406 980 1HB LYS 125 HB2 LYS 125 -0.325 -8.330 12.286 981 2HB LYS 125 HB1 LYS 125 1.033 -7.662 11.392 982 1HG LYS 125 HG2 LYS 125 1.636 -9.719 13.434 983 2HG LYS 125 HG1 LYS 125 0.824 -10.244 11.958 984 1HD LYS 125 HD2 LYS 125 2.592 -9.332 10.601 985 2HD LYS 125 HD1 LYS 125 3.365 -8.620 12.020 986 1HE LYS 125 HE2 LYS 125 4.615 -10.533 11.715 987 2HE LYS 125 HE1 LYS 125 3.414 -11.073 12.887 988 1HZ LYS 125 HZ1 LYS 125 3.174 -12.738 11.414 989 2HZ LYS 125 HZ2 LYS 125 3.767 -11.840 10.108 990 3HZ LYS 125 HZ3 LYS 125 2.165 -11.640 10.613 991 H LEU 126 HN LEU 126 2.048 -5.616 11.771 992 HA LEU 126 HA LEU 126 4.814 -6.137 12.342 993 1HB LEU 126 HB2 LEU 126 3.633 -5.453 10.097 994 2HB LEU 126 HB1 LEU 126 3.912 -3.824 10.682 995 HG LEU 126 HG LEU 126 5.696 -4.457 9.187 996 1HD1 LEU 126 1HD1 LEU 126 7.432 -3.681 10.448 997 2HD1 LEU 126 2HD1 LEU 126 7.034 -4.702 11.829 998 3HD1 LEU 126 3HD1 LEU 126 6.082 -3.255 11.500 999 1HD2 LEU 126 1HD2 LEU 126 7.103 -6.353 9.524 1000 2HD2 LEU 126 2HD2 LEU 126 5.432 -6.917 9.549 1001 3HD2 LEU 126 3HD2 LEU 126 6.323 -6.731 11.060 1002 H LYS 127 HN LYS 127 2.505 -3.629 13.126 1003 HA LYS 127 HA LYS 127 4.151 -1.558 13.916 1004 1HB LYS 127 HB2 LYS 127 1.672 -1.534 13.806 1005 2HB LYS 127 HB1 LYS 127 1.623 -2.420 15.317 1006 1HG LYS 127 HG2 LYS 127 2.389 -0.624 16.549 1007 2HG LYS 127 HG1 LYS 127 3.103 0.167 15.143 1008 1HD LYS 127 HD2 LYS 127 1.218 1.456 15.526 1009 2HD LYS 127 HD1 LYS 127 0.650 0.319 14.303 1010 1HE LYS 127 HE2 LYS 127 -1.050 -0.004 15.738 1011 2HE LYS 127 HE1 LYS 127 0.097 -1.057 16.567 1012 1HZ LYS 127 HZ1 LYS 127 0.458 0.474 18.208 1013 2HZ LYS 127 HZ2 LYS 127 -1.164 0.802 17.857 1014 3HZ LYS 127 HZ3 LYS 127 0.052 1.800 17.238 1015 H ARG 128 HN ARG 128 3.113 -4.393 15.752 1016 HA ARG 128 HA ARG 128 4.375 -3.649 18.179 1017 1HB ARG 128 HB2 ARG 128 2.617 -5.298 18.213 1018 2HB ARG 128 HB1 ARG 128 3.498 -6.331 17.098 1019 1HG ARG 128 HG2 ARG 128 5.210 -6.714 18.794 1020 2HG ARG 128 HG1 ARG 128 4.336 -5.666 19.913 1021 1HD ARG 128 HD2 ARG 128 3.866 -8.002 20.388 1022 2HD ARG 128 HD1 ARG 128 2.414 -7.181 19.819 1023 HE ARG 128 HE ARG 128 3.497 -8.273 17.568 1024 1HH1 ARG 128 1HH1 ARG 128 2.510 -9.532 20.670 1025 2HH1 ARG 128 2HH1 ARG 128 2.092 -11.091 20.044 1026 1HH2 ARG 128 1HH2 ARG 128 2.946 -10.322 16.744 1027 2HH2 ARG 128 2HH2 ARG 128 2.340 -11.540 17.815 1028 H LEU 129 HN LEU 129 5.591 -4.569 15.191 1029 HA LEU 129 HA LEU 129 7.636 -5.222 14.426 1030 1HB LEU 129 HB2 LEU 129 8.142 -3.575 16.818 1031 2HB LEU 129 HB1 LEU 129 9.491 -4.567 16.302 1032 HG LEU 129 HG LEU 129 9.545 -3.508 14.148 1033 1HD1 LEU 129 1HD1 LEU 129 6.853 -2.628 14.915 1034 2HD1 LEU 129 2HD1 LEU 129 7.531 -2.963 13.322 1035 3HD1 LEU 129 3HD1 LEU 129 7.832 -1.409 14.100 1036 1HD2 LEU 129 1HD2 LEU 129 9.534 -0.984 15.077 1037 2HD2 LEU 129 2HD2 LEU 129 10.833 -2.134 15.393 1038 3HD2 LEU 129 3HD2 LEU 129 9.576 -1.870 16.601 1039 1HO1 MO2 130 1HO1 MO2 130 -3.387 3.282 -7.096 1040 2HO1 MO2 130 2HO1 MO2 130 -6.703 3.187 -9.558 1041 1HO2 MO2 130 1HO2 MO2 130 -4.041 4.428 -7.833 1042 2HO2 MO2 130 2HO2 MO2 130 -6.067 3.862 -10.752 1043 1H5* 8OG 131 1H5* 8OG 131 -12.119 3.919 -3.437 1044 2H5* 8OG 131 2H5* 8OG 131 -11.830 4.101 -1.734 1045 H4* 8OG 131 1H4* 8OG 131 -10.190 2.550 -3.726 1046 H3* 8OG 131 1H3* 8OG 131 -12.398 1.731 -2.152 1047 1H2* 8OG 131 1H2* 8OG 131 -11.458 0.616 -0.457 1048 2H2* 8OG 131 2H2* 8OG 131 -10.489 -0.312 -1.579 1049 H1* 8OG 131 1H1* 8OG 131 -8.672 0.843 -1.070 1050 H1 8OG 131 H1 8OG 131 -5.703 0.733 4.086 1051 H7 8OG 131 H7 8OG 131 -10.329 2.496 3.479 1052 1H2 8OG 131 H21 8OG 131 -4.651 -0.197 0.881 1053 2H2 8OG 131 H22 8OG 131 -4.248 -0.094 2.563 1054 H3T 8OG 131 *HO1 8OG 131 -10.621 0.273 -3.881 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -24.443 -7.708 -4.889 2 2H MET 1 HT2 MET 1 -25.006 -6.459 -3.855 3 3H MET 1 HT3 MET 1 -25.406 -8.096 -3.524 4 HA MET 1 HA MET 1 -23.627 -7.074 -2.146 5 1HB MET 1 HB2 MET 1 -22.227 -9.183 -2.392 6 2HB MET 1 HB1 MET 1 -23.946 -9.421 -2.108 7 1HG MET 1 HG2 MET 1 -24.208 -9.686 -4.594 8 2HG MET 1 HG1 MET 1 -22.449 -9.717 -4.694 9 1HE MET 1 HE1 MET 1 -24.718 -11.505 -5.597 10 2HE MET 1 HE2 MET 1 -25.044 -12.981 -4.688 11 3HE MET 1 HE3 MET 1 -23.623 -12.881 -5.727 12 H LYS 2 HN LYS 2 -22.515 -5.252 -2.778 13 HA LYS 2 HA LYS 2 -20.852 -5.185 -5.103 14 1HB LYS 2 HB2 LYS 2 -22.001 -3.239 -3.742 15 2HB LYS 2 HB1 LYS 2 -20.491 -3.268 -2.839 16 1HG LYS 2 HG2 LYS 2 -20.037 -1.690 -4.437 17 2HG LYS 2 HG1 LYS 2 -19.400 -3.148 -5.201 18 1HD LYS 2 HD2 LYS 2 -21.091 -3.242 -6.746 19 2HD LYS 2 HD1 LYS 2 -22.243 -2.420 -5.692 20 1HE LYS 2 HE2 LYS 2 -19.880 -1.094 -7.016 21 2HE LYS 2 HE1 LYS 2 -21.527 -1.061 -7.645 22 1HZ LYS 2 HZ1 LYS 2 -21.193 0.932 -6.446 23 2HZ LYS 2 HZ2 LYS 2 -20.539 0.123 -5.113 24 3HZ LYS 2 HZ3 LYS 2 -22.182 -0.039 -5.475 25 H LYS 3 HN LYS 3 -18.674 -5.440 -5.291 26 HA LYS 3 HA LYS 3 -17.108 -5.991 -2.879 27 1HB LYS 3 HB2 LYS 3 -17.092 -7.799 -5.301 28 2HB LYS 3 HB1 LYS 3 -16.138 -8.002 -3.837 29 1HG LYS 3 HG2 LYS 3 -18.030 -8.563 -2.558 30 2HG LYS 3 HG1 LYS 3 -19.140 -7.993 -3.805 31 1HD LYS 3 HD2 LYS 3 -19.133 -10.379 -3.885 32 2HD LYS 3 HD1 LYS 3 -18.248 -9.799 -5.297 33 1HE LYS 3 HE2 LYS 3 -16.133 -10.148 -4.033 34 2HE LYS 3 HE1 LYS 3 -17.079 -10.871 -2.734 35 1HZ LYS 3 HZ1 LYS 3 -16.414 -12.693 -3.947 36 2HZ LYS 3 HZ2 LYS 3 -16.552 -11.906 -5.438 37 3HZ LYS 3 HZ3 LYS 3 -17.942 -12.397 -4.611 38 H LEU 4 HN LEU 4 -15.042 -5.295 -2.963 39 HA LEU 4 HA LEU 4 -13.861 -4.544 -5.518 40 1HB LEU 4 HB2 LEU 4 -13.377 -2.293 -4.858 41 2HB LEU 4 HB1 LEU 4 -15.104 -2.561 -4.707 42 HG LEU 4 HG LEU 4 -13.989 -3.158 -2.184 43 1HD1 LEU 4 1HD1 LEU 4 -12.035 -1.813 -3.132 44 2HD1 LEU 4 2HD1 LEU 4 -12.697 -1.310 -1.575 45 3HD1 LEU 4 3HD1 LEU 4 -13.114 -0.421 -3.040 46 1HD2 LEU 4 1HD2 LEU 4 -16.162 -2.317 -2.296 47 2HD2 LEU 4 2HD2 LEU 4 -15.685 -0.957 -3.311 48 3HD2 LEU 4 3HD2 LEU 4 -15.230 -0.988 -1.608 49 H GLN 5 HN GLN 5 -11.730 -4.953 -5.567 50 HA GLN 5 HA GLN 5 -10.456 -5.771 -3.059 51 1HB GLN 5 HB2 GLN 5 -9.355 -6.286 -5.805 52 2HB GLN 5 HB1 GLN 5 -9.031 -7.154 -4.313 53 1HG GLN 5 HG2 GLN 5 -11.324 -8.012 -4.327 54 2HG GLN 5 HG1 GLN 5 -11.618 -7.161 -5.840 55 1HE2 GLN 5 1HE2 GLN 5 -12.180 -9.532 -6.286 56 2HE2 GLN 5 2HE2 GLN 5 -10.915 -10.486 -6.974 57 H ILE 6 HN ILE 6 -8.267 -5.210 -2.641 58 HA ILE 6 HA ILE 6 -7.147 -2.958 -4.105 59 HB ILE 6 HB ILE 6 -7.626 -2.892 -1.122 60 1HG1 ILE 6 2HG1 ILE 6 -8.850 -0.691 -2.063 61 2HG1 ILE 6 1HG1 ILE 6 -9.055 -1.744 -3.458 62 1HG2 ILE 6 1HG2 ILE 6 -6.821 -0.395 -2.258 63 2HG2 ILE 6 2HG2 ILE 6 -5.646 -1.644 -2.672 64 3HG2 ILE 6 3HG2 ILE 6 -6.053 -1.342 -0.984 65 1HD1 ILE 6 1HD1 ILE 6 -10.760 -1.621 -1.376 66 2HD1 ILE 6 2HD1 ILE 6 -9.727 -2.959 -0.874 67 3HD1 ILE 6 3HD1 ILE 6 -10.570 -3.028 -2.422 68 H ALA 7 HN ALA 7 -4.943 -2.961 -4.122 69 HA ALA 7 HA ALA 7 -3.576 -4.945 -2.425 70 1HB ALA 7 HB1 ALA 7 -3.262 -4.422 -5.369 71 2HB ALA 7 HB2 ALA 7 -3.533 -5.954 -4.532 72 3HB ALA 7 HB3 ALA 7 -1.969 -5.152 -4.414 73 H VAL 8 HN VAL 8 -1.995 -4.068 -1.209 74 HA VAL 8 HA VAL 8 -0.747 -1.599 -2.203 75 HB VAL 8 HB VAL 8 -1.337 -0.392 -0.439 76 1HG1 VAL 8 1HG1 VAL 8 -3.441 -1.662 -0.715 77 2HG1 VAL 8 2HG1 VAL 8 -3.191 -1.085 0.933 78 3HG1 VAL 8 3HG1 VAL 8 -2.898 -2.779 0.538 79 1HG2 VAL 8 1HG2 VAL 8 -0.434 -2.698 1.284 80 2HG2 VAL 8 2HG2 VAL 8 -0.910 -1.119 1.902 81 3HG2 VAL 8 3HG2 VAL 8 0.497 -1.265 0.847 82 H GLY 9 HN GLY 9 1.374 -1.166 -1.422 83 1HA GLY 9 HA2 GLY 9 2.775 -3.323 -0.067 84 2HA GLY 9 HA1 GLY 9 3.264 -3.004 -1.723 85 H ILE 10 HN ILE 10 4.236 -2.493 1.280 86 HA ILE 10 HA ILE 10 4.862 0.331 1.120 87 HB ILE 10 HB ILE 10 6.517 -0.894 3.078 88 1HG1 ILE 10 2HG1 ILE 10 3.651 -1.864 3.201 89 2HG1 ILE 10 1HG1 ILE 10 5.083 -2.870 3.004 90 1HG2 ILE 10 1HG2 ILE 10 5.706 0.764 4.357 91 2HG2 ILE 10 2HG2 ILE 10 4.028 0.384 3.973 92 3HG2 ILE 10 3HG2 ILE 10 4.999 1.326 2.842 93 1HD1 ILE 10 1HD1 ILE 10 5.779 -1.744 5.272 94 2HD1 ILE 10 2HD1 ILE 10 4.693 -3.132 5.231 95 3HD1 ILE 10 3HD1 ILE 10 4.039 -1.505 5.423 96 H ILE 11 HN ILE 11 6.320 0.926 -0.364 97 HA ILE 11 HA ILE 11 8.337 -0.803 -1.332 98 HB ILE 11 HB ILE 11 9.192 1.646 -2.112 99 1HG1 ILE 11 2HG1 ILE 11 6.225 1.912 -2.330 100 2HG1 ILE 11 1HG1 ILE 11 7.061 2.516 -0.899 101 1HG2 ILE 11 1HG2 ILE 11 7.262 -0.279 -3.331 102 2HG2 ILE 11 2HG2 ILE 11 8.975 -0.050 -3.686 103 3HG2 ILE 11 3HG2 ILE 11 7.798 1.160 -4.198 104 1HD1 ILE 11 1HD1 ILE 11 8.583 3.537 -2.897 105 2HD1 ILE 11 2HD1 ILE 11 7.280 4.393 -2.070 106 3HD1 ILE 11 3HD1 ILE 11 6.969 3.585 -3.607 107 H ARG 12 HN ARG 12 10.237 -1.241 -0.527 108 HA ARG 12 HA ARG 12 11.218 0.175 1.782 109 1HB ARG 12 HB2 ARG 12 11.708 -2.398 0.489 110 2HB ARG 12 HB1 ARG 12 13.176 -1.636 1.084 111 1HG ARG 12 HG2 ARG 12 10.968 -1.556 2.988 112 2HG ARG 12 HG1 ARG 12 11.476 -3.185 2.550 113 1HD ARG 12 HD2 ARG 12 13.831 -1.699 2.949 114 2HD ARG 12 HD1 ARG 12 12.753 -1.289 4.282 115 HE ARG 12 HE ARG 12 14.054 -3.806 3.816 116 1HH1 ARG 12 1HH1 ARG 12 11.332 -2.237 5.336 117 2HH1 ARG 12 2HH1 ARG 12 11.113 -3.485 6.517 118 1HH2 ARG 12 1HH2 ARG 12 13.765 -5.449 5.367 119 2HH2 ARG 12 2HH2 ARG 12 12.494 -5.309 6.534 120 H ASN 13 HN ASN 13 12.453 1.854 1.701 121 HA ASN 13 HA ASN 13 13.728 2.761 -0.689 122 1HB ASN 13 HB2 ASN 13 12.765 4.146 1.274 123 2HB ASN 13 HB1 ASN 13 14.340 3.899 1.978 124 1HD2 ASN 13 1HD2 ASN 13 14.117 6.337 1.787 125 2HD2 ASN 13 2HD2 ASN 13 14.755 7.045 0.346 126 H GLU 14 HN GLU 14 15.994 3.850 -0.040 127 HA GLU 14 HA GLU 14 17.833 1.634 0.004 128 1HB GLU 14 HB2 GLU 14 18.176 3.373 -1.613 129 2HB GLU 14 HB1 GLU 14 18.165 4.612 -0.362 130 1HG GLU 14 HG2 GLU 14 20.284 3.987 0.424 131 2HG GLU 14 HG1 GLU 14 20.239 2.442 -0.426 132 H ASN 15 HN ASN 15 16.390 3.175 2.497 133 HA ASN 15 HA ASN 15 18.705 2.718 4.232 134 1HB ASN 15 HB2 ASN 15 18.645 5.134 3.762 135 2HB ASN 15 HB1 ASN 15 16.986 5.205 4.346 136 1HD2 ASN 15 1HD2 ASN 15 20.296 4.484 5.291 137 2HD2 ASN 15 2HD2 ASN 15 20.099 4.880 6.962 138 H ASN 16 HN ASN 16 16.818 0.869 4.060 139 HA ASN 16 HA ASN 16 15.149 -0.285 5.116 140 1HB ASN 16 HB2 ASN 16 15.453 -0.507 7.509 141 2HB ASN 16 HB1 ASN 16 17.029 -0.412 6.732 142 1HD2 ASN 16 1HD2 ASN 16 14.710 1.245 8.726 143 2HD2 ASN 16 2HD2 ASN 16 15.788 2.457 9.321 144 H GLU 17 HN GLU 17 14.503 2.502 4.315 145 HA GLU 17 HA GLU 17 12.233 2.935 6.141 146 1HB GLU 17 HB2 GLU 17 12.336 5.341 5.208 147 2HB GLU 17 HB1 GLU 17 13.525 4.876 6.417 148 1HG GLU 17 HG2 GLU 17 15.097 4.386 4.512 149 2HG GLU 17 HG1 GLU 17 13.919 5.160 3.453 150 H ILE 18 HN ILE 18 10.224 3.474 5.114 151 HA ILE 18 HA ILE 18 10.195 2.712 2.269 152 HB ILE 18 HB ILE 18 8.181 2.251 4.442 153 1HG1 ILE 18 2HG1 ILE 18 8.412 -0.076 3.866 154 2HG1 ILE 18 1HG1 ILE 18 9.392 0.321 2.464 155 1HG2 ILE 18 1HG2 ILE 18 7.042 1.095 2.261 156 2HG2 ILE 18 2HG2 ILE 18 7.701 2.578 1.575 157 3HG2 ILE 18 3HG2 ILE 18 6.578 2.659 2.930 158 1HD1 ILE 18 1HD1 ILE 18 10.356 1.152 5.146 159 2HD1 ILE 18 2HD1 ILE 18 11.266 0.692 3.709 160 3HD1 ILE 18 3HD1 ILE 18 10.471 -0.544 4.683 161 H PHE 19 HN PHE 19 9.099 3.905 0.798 162 HA PHE 19 HA PHE 19 8.338 6.597 1.609 163 1HB PHE 19 HB2 PHE 19 9.780 6.621 -0.250 164 2HB PHE 19 HB1 PHE 19 8.966 5.272 -1.022 165 HD1 PHE 19 HD1 PHE 19 9.185 6.700 -3.053 166 HD2 PHE 19 HD2 PHE 19 6.730 7.822 0.233 167 HE1 PHE 19 HE1 PHE 19 7.944 8.238 -4.516 168 HE2 PHE 19 HE2 PHE 19 5.488 9.354 -1.228 169 HZ PHE 19 HZ PHE 19 6.092 9.572 -3.598 170 H ILE 20 HN ILE 20 6.331 6.668 2.401 171 HA ILE 20 HA ILE 20 4.177 5.310 0.934 172 HB ILE 20 HB ILE 20 3.083 6.250 3.307 173 1HG1 ILE 20 2HG1 ILE 20 5.797 5.043 3.886 174 2HG1 ILE 20 1HG1 ILE 20 5.331 6.713 4.194 175 1HG2 ILE 20 1HG2 ILE 20 3.597 3.649 3.873 176 2HG2 ILE 20 2HG2 ILE 20 3.814 3.674 2.123 177 3HG2 ILE 20 3HG2 ILE 20 2.291 4.211 2.830 178 1HD1 ILE 20 1HD1 ILE 20 5.313 4.990 6.123 179 2HD1 ILE 20 2HD1 ILE 20 3.776 4.485 5.421 180 3HD1 ILE 20 3HD1 ILE 20 3.989 6.146 5.975 181 H THR 21 HN THR 21 2.092 6.512 0.857 182 HA THR 21 HA THR 21 2.613 9.306 0.197 183 HB THR 21 HB THR 21 0.358 9.233 -0.832 184 HG1 THR 21 HG1 THR 21 0.396 6.478 -0.185 185 1HG2 THR 21 1HG2 THR 21 1.148 8.392 -2.729 186 2HG2 THR 21 2HG2 THR 21 1.426 6.805 -2.013 187 3HG2 THR 21 3HG2 THR 21 2.631 8.078 -1.828 188 H ARG 22 HN ARG 22 2.373 10.744 1.782 189 HA ARG 22 HA ARG 22 0.485 10.226 3.941 190 1HB ARG 22 HB2 ARG 22 2.831 11.032 4.371 191 2HB ARG 22 HB1 ARG 22 2.374 12.562 3.636 192 1HG ARG 22 HG2 ARG 22 1.236 13.241 5.448 193 2HG ARG 22 HG1 ARG 22 0.594 11.630 5.778 194 1HD ARG 22 HD2 ARG 22 2.068 12.307 7.571 195 2HD ARG 22 HD1 ARG 22 2.789 10.968 6.678 196 HE ARG 22 HE ARG 22 4.497 12.355 6.032 197 1HH1 ARG 22 1HH1 ARG 22 1.894 14.283 7.332 198 2HH1 ARG 22 2HH1 ARG 22 2.817 15.748 7.339 199 1HH2 ARG 22 1HH2 ARG 22 5.712 14.281 6.042 200 2HH2 ARG 22 2HH2 ARG 22 4.984 15.748 6.608 201 H ARG 23 HN ARG 23 -1.439 10.499 2.721 202 HA ARG 23 HA ARG 23 -3.074 11.654 1.559 203 1HB ARG 23 HB2 ARG 23 -2.536 13.044 4.152 204 2HB ARG 23 HB1 ARG 23 -3.768 13.682 3.069 205 1HG ARG 23 HG2 ARG 23 -3.859 10.785 3.684 206 2HG ARG 23 HG1 ARG 23 -4.316 11.911 4.963 207 1HD ARG 23 HD2 ARG 23 -5.483 11.865 2.183 208 2HD ARG 23 HD1 ARG 23 -6.241 11.166 3.612 209 HE ARG 23 HE ARG 23 -5.773 13.773 4.282 210 1HH1 ARG 23 1HH1 ARG 23 -7.484 12.160 1.705 211 2HH1 ARG 23 2HH1 ARG 23 -8.642 13.431 1.508 212 1HH2 ARG 23 1HH2 ARG 23 -7.296 15.447 4.026 213 2HH2 ARG 23 2HH2 ARG 23 -8.535 15.298 2.826 214 H ALA 24 HN ALA 24 -0.823 12.246 0.198 215 HA ALA 24 HA ALA 24 0.003 13.717 -1.329 216 1HB ALA 24 HB1 ALA 24 -1.883 14.502 -2.259 217 2HB ALA 24 HB2 ALA 24 -1.505 15.974 -1.366 218 3HB ALA 24 HB3 ALA 24 -2.647 14.808 -0.700 219 H ALA 25 HN ALA 25 -1.343 16.102 0.934 220 HA ALA 25 HA ALA 25 1.040 16.599 2.345 221 1HB ALA 25 HB1 ALA 25 1.510 18.875 1.291 222 2HB ALA 25 HB2 ALA 25 0.575 18.296 -0.088 223 3HB ALA 25 HB3 ALA 25 2.041 17.447 0.402 224 H ASP 26 HN ASP 26 -1.100 19.037 0.909 225 HA ASP 26 HA ASP 26 -1.939 19.797 3.606 226 1HB ASP 26 HB2 ASP 26 -2.880 21.822 2.412 227 2HB ASP 26 HB1 ASP 26 -1.129 21.646 2.340 228 H ALA 27 HN ALA 27 -3.912 19.404 4.370 229 HA ALA 27 HA ALA 27 -6.278 19.371 2.856 230 1HB ALA 27 HB1 ALA 27 -6.826 17.027 2.793 231 2HB ALA 27 HB2 ALA 27 -5.314 16.613 3.602 232 3HB ALA 27 HB3 ALA 27 -5.287 17.278 1.969 233 H HIS 28 HN HIS 28 -8.071 18.098 4.191 234 HA HIS 28 HA HIS 28 -7.744 19.011 6.955 235 1HB HIS 28 HB2 HIS 28 -10.273 18.664 7.012 236 2HB HIS 28 HB1 HIS 28 -9.677 19.959 5.979 237 HD1 HIS 28 HD1 HIS 28 -11.482 16.723 5.900 238 HD2 HIS 28 HD2 HIS 28 -9.903 19.452 3.192 239 HE1 HIS 28 HE1 HIS 28 -12.465 16.103 3.669 240 HE2 HIS 28 HE2 HIS 28 -11.428 17.714 2.033 241 H MET 29 HN MET 29 -6.569 16.521 5.994 242 HA MET 29 HA MET 29 -7.380 14.827 8.129 243 1HB MET 29 HB2 MET 29 -8.500 14.359 5.441 244 2HB MET 29 HB1 MET 29 -7.791 12.942 6.203 245 1HG MET 29 HG2 MET 29 -9.509 12.708 7.583 246 2HG MET 29 HG1 MET 29 -9.472 14.409 8.041 247 1HE MET 29 HE1 MET 29 -10.586 11.700 5.847 248 2HE MET 29 HE2 MET 29 -11.922 12.309 4.870 249 3HE MET 29 HE3 MET 29 -12.167 11.964 6.582 250 H ALA 30 HN ALA 30 -5.009 15.620 8.066 251 HA ALA 30 HA ALA 30 -3.199 14.302 6.305 252 1HB ALA 30 HB1 ALA 30 -2.195 16.173 7.089 253 2HB ALA 30 HB2 ALA 30 -1.591 15.046 8.302 254 3HB ALA 30 HB3 ALA 30 -2.981 16.070 8.664 255 H ASN 31 HN ASN 31 -4.971 13.151 8.914 256 HA ASN 31 HA ASN 31 -2.967 11.277 9.849 257 1HB ASN 31 HB2 ASN 31 -5.491 12.316 10.815 258 2HB ASN 31 HB1 ASN 31 -5.445 10.562 10.935 259 1HD2 ASN 31 1HD2 ASN 31 -2.747 12.812 11.182 260 2HD2 ASN 31 2HD2 ASN 31 -2.353 12.441 12.822 261 H LYS 32 HN LYS 32 -4.088 11.183 7.036 262 HA LYS 32 HA LYS 32 -5.109 8.432 7.126 263 1HB LYS 32 HB2 LYS 32 -5.963 10.761 5.604 264 2HB LYS 32 HB1 LYS 32 -5.649 9.371 4.575 265 1HG LYS 32 HG2 LYS 32 -7.424 8.225 5.346 266 2HG LYS 32 HG1 LYS 32 -7.231 8.826 6.994 267 1HD LYS 32 HD2 LYS 32 -8.615 10.573 6.653 268 2HD LYS 32 HD1 LYS 32 -8.023 10.851 5.014 269 1HE LYS 32 HE2 LYS 32 -10.121 10.126 4.514 270 2HE LYS 32 HE1 LYS 32 -9.300 8.568 4.575 271 1HZ LYS 32 HZ1 LYS 32 -10.369 7.978 6.450 272 2HZ LYS 32 HZ2 LYS 32 -11.517 9.104 5.928 273 3HZ LYS 32 HZ3 LYS 32 -10.372 9.543 7.092 274 H LEU 33 HN LEU 33 -2.338 9.351 7.148 275 HA LEU 33 HA LEU 33 -0.940 9.185 4.809 276 1HB LEU 33 HB2 LEU 33 -0.172 9.414 7.281 277 2HB LEU 33 HB1 LEU 33 -0.035 7.671 7.231 278 HG LEU 33 HG LEU 33 1.520 9.686 5.624 279 1HD1 LEU 33 1HD1 LEU 33 2.179 9.108 7.993 280 2HD1 LEU 33 2HD1 LEU 33 3.414 8.861 6.758 281 3HD1 LEU 33 3HD1 LEU 33 2.523 7.482 7.402 282 1HD2 LEU 33 1HD2 LEU 33 0.900 7.853 4.142 283 2HD2 LEU 33 2HD2 LEU 33 1.496 6.684 5.320 284 3HD2 LEU 33 3HD2 LEU 33 2.619 7.790 4.530 285 H GLU 34 HN GLU 34 -1.691 7.794 3.234 286 HA GLU 34 HA GLU 34 -1.736 4.934 3.917 287 1HB GLU 34 HB2 GLU 34 -3.795 6.266 2.920 288 2HB GLU 34 HB1 GLU 34 -2.970 5.946 1.401 289 1HG GLU 34 HG2 GLU 34 -3.108 3.564 3.009 290 2HG GLU 34 HG1 GLU 34 -4.710 4.264 2.777 291 H PHE 35 HN PHE 35 -1.397 3.565 1.808 292 HA PHE 35 HA PHE 35 1.076 4.535 0.536 293 1HB PHE 35 HB2 PHE 35 1.137 1.743 0.405 294 2HB PHE 35 HB1 PHE 35 2.099 2.770 1.457 295 HD1 PHE 35 HD1 PHE 35 2.090 2.235 3.688 296 HD2 PHE 35 HD2 PHE 35 -1.354 1.348 1.352 297 HE1 PHE 35 HE1 PHE 35 1.026 1.214 5.654 298 HE2 PHE 35 HE2 PHE 35 -2.424 0.325 3.314 299 HZ PHE 35 HZ PHE 35 -1.236 0.257 5.470 300 HA PRO 36 HA PRO 36 -0.389 3.819 -3.563 301 1HB PRO 36 HB2 PRO 36 1.586 2.159 -4.570 302 2HB PRO 36 HB1 PRO 36 1.692 3.917 -4.487 303 1HG PRO 36 HG2 PRO 36 2.814 1.862 -2.632 304 2HG PRO 36 HG1 PRO 36 3.540 3.377 -3.201 305 1HD PRO 36 HD2 PRO 36 2.487 3.184 -0.752 306 2HD PRO 36 HD1 PRO 36 2.312 4.670 -1.709 307 H GLY 37 HN GLY 37 -1.039 2.047 -5.116 308 1HA GLY 37 HA2 GLY 37 -1.510 -0.285 -5.469 309 2HA GLY 37 HA1 GLY 37 -1.414 -0.511 -3.748 310 H GLY 38 HN GLY 38 -3.239 1.476 -5.951 311 1HA GLY 38 HA2 GLY 38 -5.744 0.505 -4.760 312 2HA GLY 38 HA1 GLY 38 -5.474 2.233 -4.955 313 H LYS 39 HN LYS 39 -7.031 -0.311 -6.286 314 HA LYS 39 HA LYS 39 -8.422 0.069 -8.198 315 1HB LYS 39 HB2 LYS 39 -7.196 2.137 -8.864 316 2HB LYS 39 HB1 LYS 39 -5.941 1.121 -9.562 317 1HG LYS 39 HG2 LYS 39 -7.076 0.977 -11.449 318 2HG LYS 39 HG1 LYS 39 -8.447 0.270 -10.592 319 1HD LYS 39 HD2 LYS 39 -7.951 3.237 -10.675 320 2HD LYS 39 HD1 LYS 39 -8.895 2.400 -11.909 321 1HE LYS 39 HE2 LYS 39 -10.592 2.955 -10.506 322 2HE LYS 39 HE1 LYS 39 -10.116 1.435 -9.750 323 1HZ LYS 39 HZ1 LYS 39 -9.167 2.500 -7.989 324 2HZ LYS 39 HZ2 LYS 39 -10.391 3.611 -8.350 325 3HZ LYS 39 HZ3 LYS 39 -8.806 3.902 -8.864 326 H ILE 40 HN ILE 40 -5.676 -1.640 -7.465 327 HA ILE 40 HA ILE 40 -4.945 -3.159 -9.584 328 HB ILE 40 HB ILE 40 -3.797 -3.879 -7.775 329 1HG1 ILE 40 2HG1 ILE 40 -6.084 -5.854 -7.619 330 2HG1 ILE 40 1HG1 ILE 40 -4.847 -5.882 -8.870 331 1HG2 ILE 40 1HG2 ILE 40 -5.256 -4.496 -5.619 332 2HG2 ILE 40 2HG2 ILE 40 -6.301 -3.276 -6.346 333 3HG2 ILE 40 3HG2 ILE 40 -4.631 -2.879 -5.949 334 1HD1 ILE 40 1HD1 ILE 40 -4.681 -6.616 -6.010 335 2HD1 ILE 40 2HD1 ILE 40 -3.246 -5.940 -6.781 336 3HD1 ILE 40 3HD1 ILE 40 -3.985 -7.401 -7.423 337 H GLU 41 HN GLU 41 -7.586 -3.945 -7.455 338 HA GLU 41 HA GLU 41 -8.772 -6.112 -8.137 339 1HB GLU 41 HB2 GLU 41 -11.035 -4.822 -8.316 340 2HB GLU 41 HB1 GLU 41 -10.120 -4.798 -6.820 341 1HG GLU 41 HG2 GLU 41 -10.021 -2.596 -6.873 342 2HG GLU 41 HG1 GLU 41 -9.248 -2.624 -8.448 343 H MET 42 HN MET 42 -9.981 -3.457 -10.148 344 HA MET 42 HA MET 42 -10.878 -3.532 -12.262 345 1HB MET 42 HB2 MET 42 -8.061 -4.543 -12.584 346 2HB MET 42 HB1 MET 42 -9.091 -4.194 -13.964 347 1HG MET 42 HG2 MET 42 -8.660 -2.129 -11.852 348 2HG MET 42 HG1 MET 42 -7.445 -2.397 -13.101 349 1HE MET 42 HE1 MET 42 -10.714 0.087 -12.707 350 2HE MET 42 HE2 MET 42 -10.795 -1.545 -12.046 351 3HE MET 42 HE3 MET 42 -11.736 -1.126 -13.477 352 H GLY 43 HN GLY 43 -8.897 -6.318 -13.067 353 1HA GLY 43 HA2 GLY 43 -10.922 -8.282 -12.654 354 2HA GLY 43 HA1 GLY 43 -10.911 -7.726 -14.313 355 H GLU 44 HN GLU 44 -7.928 -7.771 -12.629 356 HA GLU 44 HA GLU 44 -6.849 -9.693 -14.474 357 1HB GLU 44 HB2 GLU 44 -5.823 -7.608 -12.871 358 2HB GLU 44 HB1 GLU 44 -5.047 -9.084 -12.318 359 1HG GLU 44 HG2 GLU 44 -3.797 -9.255 -14.153 360 2HG GLU 44 HG1 GLU 44 -5.139 -8.847 -15.219 361 H THR 45 HN THR 45 -4.929 -10.960 -12.756 362 HA THR 45 HA THR 45 -6.710 -12.875 -11.414 363 HB THR 45 HB THR 45 -3.970 -13.771 -11.716 364 HG1 THR 45 HG1 THR 45 -3.643 -13.486 -13.787 365 1HG2 THR 45 1HG2 THR 45 -5.285 -15.580 -11.612 366 2HG2 THR 45 2HG2 THR 45 -5.377 -15.360 -13.360 367 3HG2 THR 45 3HG2 THR 45 -6.669 -14.752 -12.325 368 HA PRO 46 HA PRO 46 -5.391 -12.034 -7.298 369 1HB PRO 46 HB2 PRO 46 -4.247 -14.568 -6.708 370 2HB PRO 46 HB1 PRO 46 -5.875 -14.012 -6.323 371 1HG PRO 46 HG2 PRO 46 -4.934 -15.677 -8.594 372 2HG PRO 46 HG1 PRO 46 -6.491 -15.699 -7.748 373 1HD PRO 46 HD2 PRO 46 -6.274 -14.647 -10.187 374 2HD PRO 46 HD1 PRO 46 -7.316 -13.891 -8.964 375 H GLU 47 HN GLU 47 -3.154 -13.460 -9.580 376 HA GLU 47 HA GLU 47 -0.870 -12.545 -7.995 377 1HB GLU 47 HB2 GLU 47 -1.247 -14.542 -10.167 378 2HB GLU 47 HB1 GLU 47 0.318 -13.751 -10.050 379 1HG GLU 47 HG2 GLU 47 -0.140 -14.463 -7.461 380 2HG GLU 47 HG1 GLU 47 -0.896 -15.787 -8.345 381 H GLN 48 HN GLN 48 -2.153 -12.270 -11.330 382 HA GLN 48 HA GLN 48 -0.213 -10.242 -11.998 383 1HB GLN 48 HB2 GLN 48 -2.493 -11.555 -13.433 384 2HB GLN 48 HB1 GLN 48 -1.786 -10.083 -14.083 385 1HG GLN 48 HG2 GLN 48 0.171 -11.096 -14.637 386 2HG GLN 48 HG1 GLN 48 0.055 -12.283 -13.339 387 1HE2 GLN 48 1HE2 GLN 48 -0.168 -14.260 -14.073 388 2HE2 GLN 48 2HE2 GLN 48 -1.046 -14.739 -15.482 389 H ALA 49 HN ALA 49 -3.011 -10.156 -10.219 390 HA ALA 49 HA ALA 49 -4.262 -7.822 -11.183 391 1HB ALA 49 HB1 ALA 49 -5.361 -7.765 -8.975 392 2HB ALA 49 HB2 ALA 49 -4.279 -9.044 -8.428 393 3HB ALA 49 HB3 ALA 49 -5.427 -9.356 -9.729 394 H VAL 50 HN VAL 50 -2.096 -8.242 -8.362 395 HA VAL 50 HA VAL 50 -1.756 -5.386 -8.150 396 HB VAL 50 HB VAL 50 -1.538 -6.210 -6.032 397 1HG1 VAL 50 1HG1 VAL 50 -0.155 -8.607 -7.204 398 2HG1 VAL 50 2HG1 VAL 50 -1.735 -8.531 -6.420 399 3HG1 VAL 50 3HG1 VAL 50 -0.267 -8.301 -5.470 400 1HG2 VAL 50 1HG2 VAL 50 1.330 -6.486 -6.905 401 2HG2 VAL 50 2HG2 VAL 50 0.729 -6.039 -5.306 402 3HG2 VAL 50 3HG2 VAL 50 0.515 -4.940 -6.671 403 H VAL 51 HN VAL 51 0.241 -8.124 -9.193 404 HA VAL 51 HA VAL 51 2.639 -6.842 -9.620 405 HB VAL 51 HB VAL 51 1.438 -8.961 -11.413 406 1HG1 VAL 51 1HG1 VAL 51 3.275 -8.562 -12.631 407 2HG1 VAL 51 2HG1 VAL 51 4.138 -9.386 -11.332 408 3HG1 VAL 51 3HG1 VAL 51 4.038 -7.626 -11.346 409 1HG2 VAL 51 1HG2 VAL 51 1.744 -9.275 -8.791 410 2HG2 VAL 51 2HG2 VAL 51 3.402 -9.609 -9.286 411 3HG2 VAL 51 3HG2 VAL 51 2.077 -10.573 -9.937 412 H ARG 52 HN ARG 52 -0.255 -6.801 -11.607 413 HA ARG 52 HA ARG 52 1.008 -5.364 -13.744 414 1HB ARG 52 HB2 ARG 52 -0.994 -6.925 -13.971 415 2HB ARG 52 HB1 ARG 52 -1.958 -5.627 -13.280 416 1HG ARG 52 HG2 ARG 52 -2.273 -5.052 -15.421 417 2HG ARG 52 HG1 ARG 52 -0.686 -4.298 -15.259 418 1HD ARG 52 HD2 ARG 52 0.391 -6.216 -16.211 419 2HD ARG 52 HD1 ARG 52 -1.118 -7.129 -16.197 420 HE ARG 52 HE ARG 52 -1.235 -4.709 -17.747 421 1HH1 ARG 52 1HH1 ARG 52 -0.415 -8.101 -17.787 422 2HH1 ARG 52 2HH1 ARG 52 -0.623 -8.259 -19.498 423 1HH2 ARG 52 1HH2 ARG 52 -1.508 -4.915 -19.999 424 2HH2 ARG 52 2HH2 ARG 52 -1.242 -6.451 -20.755 425 H GLU 53 HN GLU 53 -1.335 -4.561 -11.207 426 HA GLU 53 HA GLU 53 -1.542 -1.822 -11.852 427 1HB GLU 53 HB2 GLU 53 -3.108 -3.228 -10.404 428 2HB GLU 53 HB1 GLU 53 -1.950 -2.989 -9.103 429 1HG GLU 53 HG2 GLU 53 -3.456 -1.307 -8.707 430 2HG GLU 53 HG1 GLU 53 -2.236 -0.470 -9.664 431 H LEU 54 HN LEU 54 0.830 -3.646 -10.121 432 HA LEU 54 HA LEU 54 1.915 -1.740 -8.423 433 1HB LEU 54 HB2 LEU 54 2.581 -4.306 -9.263 434 2HB LEU 54 HB1 LEU 54 3.957 -3.333 -9.746 435 HG LEU 54 HG LEU 54 4.359 -2.635 -7.496 436 1HD1 LEU 54 1HD1 LEU 54 2.597 -4.085 -5.894 437 2HD1 LEU 54 2HD1 LEU 54 1.587 -3.338 -7.132 438 3HD1 LEU 54 3HD1 LEU 54 2.635 -2.337 -6.128 439 1HD2 LEU 54 1HD2 LEU 54 4.124 -5.467 -8.173 440 2HD2 LEU 54 2HD2 LEU 54 4.179 -5.144 -6.442 441 3HD2 LEU 54 3HD2 LEU 54 5.478 -4.570 -7.487 442 H GLN 55 HN GLN 55 2.581 -2.341 -11.851 443 HA GLN 55 HA GLN 55 4.592 -0.393 -12.152 444 1HB GLN 55 HB2 GLN 55 3.085 -2.148 -13.853 445 2HB GLN 55 HB1 GLN 55 3.105 -0.541 -14.567 446 1HG GLN 55 HG2 GLN 55 4.944 -1.876 -15.397 447 2HG GLN 55 HG1 GLN 55 5.541 -0.514 -14.449 448 1HE2 GLN 55 1HE2 GLN 55 4.299 -3.713 -13.560 449 2HE2 GLN 55 2HE2 GLN 55 5.688 -4.190 -12.649 450 H GLU 56 HN GLU 56 1.118 -0.258 -12.075 451 HA GLU 56 HA GLU 56 0.908 2.440 -13.033 452 1HB GLU 56 HB2 GLU 56 -0.853 0.393 -12.839 453 2HB GLU 56 HB1 GLU 56 -1.286 1.310 -11.406 454 1HG GLU 56 HG2 GLU 56 -0.972 2.891 -13.861 455 2HG GLU 56 HG1 GLU 56 -2.310 1.743 -13.861 456 H GLU 57 HN GLU 57 1.464 0.909 -9.968 457 HA GLU 57 HA GLU 57 0.940 3.450 -8.589 458 1HB GLU 57 HB2 GLU 57 1.302 0.702 -7.391 459 2HB GLU 57 HB1 GLU 57 0.831 2.162 -6.530 460 1HG GLU 57 HG2 GLU 57 -0.792 1.051 -8.794 461 2HG GLU 57 HG1 GLU 57 -1.004 0.514 -7.129 462 H VAL 58 HN VAL 58 3.460 2.032 -10.025 463 HA VAL 58 HA VAL 58 5.361 3.238 -8.146 464 HB VAL 58 HB VAL 58 5.935 0.634 -9.571 465 1HG1 VAL 58 1HG1 VAL 58 7.639 0.978 -7.396 466 2HG1 VAL 58 2HG1 VAL 58 7.541 2.568 -8.151 467 3HG1 VAL 58 3HG1 VAL 58 8.042 1.170 -9.102 468 1HG2 VAL 58 1HG2 VAL 58 5.991 0.060 -6.907 469 2HG2 VAL 58 2HG2 VAL 58 4.659 -0.314 -7.999 470 3HG2 VAL 58 3HG2 VAL 58 4.611 1.151 -7.019 471 H GLY 59 HN GLY 59 4.767 1.924 -11.362 472 1HA GLY 59 HA2 GLY 59 5.294 2.739 -13.424 473 2HA GLY 59 HA1 GLY 59 5.785 4.224 -12.656 474 H ILE 60 HN ILE 60 7.803 3.285 -11.069 475 HA ILE 60 HA ILE 60 9.924 3.040 -12.958 476 HB ILE 60 HB ILE 60 11.197 2.696 -10.635 477 1HG1 ILE 60 2HG1 ILE 60 9.193 4.614 -9.647 478 2HG1 ILE 60 1HG1 ILE 60 8.755 2.911 -9.604 479 1HG2 ILE 60 1HG2 ILE 60 10.357 5.480 -11.135 480 2HG2 ILE 60 2HG2 ILE 60 11.115 4.609 -12.469 481 3HG2 ILE 60 3HG2 ILE 60 11.974 4.802 -10.941 482 1HD1 ILE 60 1HD1 ILE 60 10.951 2.514 -8.420 483 2HD1 ILE 60 2HD1 ILE 60 9.700 3.363 -7.515 484 3HD1 ILE 60 3HD1 ILE 60 11.039 4.264 -8.226 485 H THR 61 HN THR 61 11.807 1.501 -11.976 486 HA THR 61 HA THR 61 10.671 -1.201 -11.984 487 HB THR 61 HB THR 61 13.169 -1.599 -12.714 488 HG1 THR 61 HG1 THR 61 13.667 0.660 -12.423 489 1HG2 THR 61 1HG2 THR 61 12.579 -1.369 -15.055 490 2HG2 THR 61 2HG2 THR 61 11.188 -0.375 -14.614 491 3HG2 THR 61 3HG2 THR 61 11.240 -2.080 -14.152 492 HA PRO 62 HA PRO 62 12.935 -1.033 -8.020 493 1HB PRO 62 HB2 PRO 62 10.939 -1.155 -6.345 494 2HB PRO 62 HB1 PRO 62 11.060 0.263 -7.394 495 1HG PRO 62 HG2 PRO 62 9.244 -2.096 -7.611 496 2HG PRO 62 HG1 PRO 62 8.915 -0.392 -7.965 497 1HD PRO 62 HD2 PRO 62 9.720 -2.422 -9.809 498 2HD PRO 62 HD1 PRO 62 9.509 -0.692 -10.121 499 H GLN 63 HN GLN 63 13.646 -2.689 -6.672 500 HA GLN 63 HA GLN 63 12.828 -5.375 -7.331 501 1HB GLN 63 HB2 GLN 63 14.750 -4.175 -5.348 502 2HB GLN 63 HB1 GLN 63 14.321 -5.878 -5.260 503 1HG GLN 63 HG2 GLN 63 15.061 -6.107 -7.625 504 2HG GLN 63 HG1 GLN 63 15.641 -4.449 -7.546 505 1HE2 GLN 63 1HE2 GLN 63 16.571 -4.618 -4.825 506 2HE2 GLN 63 2HE2 GLN 63 17.991 -5.599 -4.839 507 H HIS 64 HN HIS 64 10.647 -5.017 -6.929 508 HA HIS 64 HA HIS 64 9.874 -4.988 -4.089 509 1HB HIS 64 HB2 HIS 64 9.131 -2.940 -4.982 510 2HB HIS 64 HB1 HIS 64 8.768 -3.662 -6.515 511 HD1 HIS 64 HD1 HIS 64 7.304 -5.421 -3.618 512 HD2 HIS 64 HD2 HIS 64 6.203 -2.428 -6.274 513 HE1 HIS 64 HE1 HIS 64 4.814 -5.206 -3.389 514 HE2 HIS 64 HE2 HIS 64 4.208 -3.254 -4.854 515 H PHE 65 HN PHE 65 8.791 -6.724 -3.399 516 HA PHE 65 HA PHE 65 6.845 -8.120 -4.865 517 1HB PHE 65 HB2 PHE 65 9.174 -8.667 -5.970 518 2HB PHE 65 HB1 PHE 65 9.300 -9.761 -4.606 519 HD1 PHE 65 HD1 PHE 65 9.001 -11.918 -5.408 520 HD2 PHE 65 HD2 PHE 65 6.408 -8.822 -6.746 521 HE1 PHE 65 HE1 PHE 65 7.661 -13.577 -6.638 522 HE2 PHE 65 HE2 PHE 65 5.062 -10.472 -7.975 523 HZ PHE 65 HZ PHE 65 5.688 -12.853 -7.925 524 H SER 66 HN SER 66 6.369 -10.312 -3.832 525 HA SER 66 HA SER 66 6.101 -11.700 -2.036 526 1HB SER 66 HB2 SER 66 8.607 -10.801 -1.537 527 2HB SER 66 HB1 SER 66 7.756 -10.137 -0.142 528 HG SER 66 HG SER 66 8.186 -12.101 0.570 529 H LEU 67 HN LEU 67 4.895 -11.708 -0.039 530 HA LEU 67 HA LEU 67 3.563 -9.133 0.444 531 1HB LEU 67 HB2 LEU 67 1.504 -10.180 0.677 532 2HB LEU 67 HB1 LEU 67 2.242 -11.023 -0.672 533 HG LEU 67 HG LEU 67 3.020 -12.630 1.354 534 1HD1 LEU 67 1HD1 LEU 67 1.981 -11.856 3.211 535 2HD1 LEU 67 2HD1 LEU 67 0.666 -12.848 2.580 536 3HD1 LEU 67 3HD1 LEU 67 0.669 -11.106 2.301 537 1HD2 LEU 67 1HD2 LEU 67 0.338 -12.784 -0.015 538 2HD2 LEU 67 2HD2 LEU 67 1.259 -14.127 0.663 539 3HD2 LEU 67 3HD2 LEU 67 1.871 -13.259 -0.745 540 H PHE 68 HN PHE 68 3.574 -8.338 2.437 541 HA PHE 68 HA PHE 68 4.983 -9.737 4.509 542 1HB PHE 68 HB2 PHE 68 5.350 -7.662 5.267 543 2HB PHE 68 HB1 PHE 68 4.412 -7.049 3.913 544 HD1 PHE 68 HD1 PHE 68 2.039 -6.467 4.216 545 HD2 PHE 68 HD2 PHE 68 4.484 -7.664 7.485 546 HE1 PHE 68 HE1 PHE 68 0.392 -5.529 5.786 547 HE2 PHE 68 HE2 PHE 68 2.840 -6.733 9.061 548 HZ PHE 68 HZ PHE 68 0.792 -5.659 8.211 549 H GLU 69 HN GLU 69 1.673 -8.597 4.008 550 HA GLU 69 HA GLU 69 0.488 -10.829 5.261 551 1HB GLU 69 HB2 GLU 69 1.129 -8.530 6.964 552 2HB GLU 69 HB1 GLU 69 -0.565 -8.999 7.027 553 1HG GLU 69 HG2 GLU 69 0.941 -11.372 7.185 554 2HG GLU 69 HG1 GLU 69 1.692 -10.212 8.279 555 H LYS 70 HN LYS 70 -1.550 -11.015 4.489 556 HA LYS 70 HA LYS 70 -2.818 -8.573 3.424 557 1HB LYS 70 HB2 LYS 70 -3.619 -9.758 1.526 558 2HB LYS 70 HB1 LYS 70 -1.912 -10.144 1.666 559 1HG LYS 70 HG2 LYS 70 -4.112 -11.925 2.687 560 2HG LYS 70 HG1 LYS 70 -3.391 -12.067 1.083 561 1HD LYS 70 HD2 LYS 70 -1.182 -12.014 2.680 562 2HD LYS 70 HD1 LYS 70 -2.341 -12.865 3.703 563 1HE LYS 70 HE2 LYS 70 -2.816 -14.216 1.511 564 2HE LYS 70 HE1 LYS 70 -1.217 -13.638 1.048 565 1HZ LYS 70 HZ1 LYS 70 -1.629 -15.867 2.432 566 2HZ LYS 70 HZ2 LYS 70 -1.430 -14.778 3.710 567 3HZ LYS 70 HZ3 LYS 70 -0.210 -14.952 2.550 568 H LEU 71 HN LEU 71 -4.877 -8.201 4.052 569 HA LEU 71 HA LEU 71 -6.323 -10.399 5.367 570 1HB LEU 71 HB2 LEU 71 -6.995 -9.073 7.155 571 2HB LEU 71 HB1 LEU 71 -5.311 -8.653 6.935 572 HG LEU 71 HG LEU 71 -6.389 -6.621 7.363 573 1HD1 LEU 71 1HD1 LEU 71 -5.994 -5.316 5.458 574 2HD1 LEU 71 2HD1 LEU 71 -6.384 -6.642 4.365 575 3HD1 LEU 71 3HD1 LEU 71 -4.898 -6.690 5.313 576 1HD2 LEU 71 1HD2 LEU 71 -8.682 -7.790 6.685 577 2HD2 LEU 71 2HD2 LEU 71 -8.421 -6.836 5.225 578 3HD2 LEU 71 3HD2 LEU 71 -8.502 -6.039 6.796 579 H GLU 72 HN GLU 72 -8.683 -10.062 5.488 580 HA GLU 72 HA GLU 72 -9.752 -8.315 3.404 581 1HB GLU 72 HB2 GLU 72 -9.637 -10.225 2.105 582 2HB GLU 72 HB1 GLU 72 -9.869 -11.299 3.475 583 1HG GLU 72 HG2 GLU 72 -12.220 -10.726 3.559 584 2HG GLU 72 HG1 GLU 72 -12.007 -9.585 2.233 585 H TYR 73 HN TYR 73 -11.533 -7.291 4.055 586 HA TYR 73 HA TYR 73 -13.252 -8.513 6.083 587 1HB TYR 73 HB2 TYR 73 -13.339 -6.420 7.375 588 2HB TYR 73 HB1 TYR 73 -11.710 -7.085 7.338 589 HD1 TYR 73 HD1 TYR 73 -10.294 -6.158 5.212 590 HD2 TYR 73 HD2 TYR 73 -13.510 -4.142 7.134 591 HE1 TYR 73 HE1 TYR 73 -9.439 -4.011 4.378 592 HE2 TYR 73 HE2 TYR 73 -12.663 -1.988 6.304 593 HH TYR 73 HH TYR 73 -9.633 -1.524 5.154 594 H GLU 74 HN GLU 74 -15.013 -8.730 4.799 595 HA GLU 74 HA GLU 74 -15.788 -6.731 2.912 596 1HB GLU 74 HB2 GLU 74 -17.826 -8.123 2.615 597 2HB GLU 74 HB1 GLU 74 -16.328 -9.018 2.418 598 1HG GLU 74 HG2 GLU 74 -16.631 -9.693 4.868 599 2HG GLU 74 HG1 GLU 74 -18.281 -9.102 4.688 600 H PHE 75 HN PHE 75 -16.879 -4.960 3.258 601 HA PHE 75 HA PHE 75 -18.049 -4.394 5.826 602 1HB PHE 75 HB2 PHE 75 -17.177 -2.891 3.497 603 2HB PHE 75 HB1 PHE 75 -18.744 -2.334 4.070 604 HD1 PHE 75 HD1 PHE 75 -15.572 -3.469 5.682 605 HD2 PHE 75 HD2 PHE 75 -18.602 -0.492 5.417 606 HE1 PHE 75 HE1 PHE 75 -14.455 -2.180 7.456 607 HE2 PHE 75 HE2 PHE 75 -17.491 0.803 7.190 608 HZ PHE 75 HZ PHE 75 -15.414 -0.041 8.212 609 HA PRO 76 HA PRO 76 -22.324 -5.262 5.261 610 1HB PRO 76 HB2 PRO 76 -23.458 -2.704 5.474 611 2HB PRO 76 HB1 PRO 76 -23.150 -3.823 6.803 612 1HG PRO 76 HG2 PRO 76 -21.535 -1.503 5.863 613 2HG PRO 76 HG1 PRO 76 -21.787 -2.109 7.512 614 1HD PRO 76 HD2 PRO 76 -19.495 -2.549 6.198 615 2HD PRO 76 HD1 PRO 76 -20.188 -3.779 7.273 616 H ASP 77 HN ASP 77 -21.829 -5.752 3.020 617 HA ASP 77 HA ASP 77 -22.810 -5.802 0.922 618 1HB ASP 77 HB2 ASP 77 -24.431 -3.960 1.954 619 2HB ASP 77 HB1 ASP 77 -23.493 -2.902 0.905 620 H ARG 78 HN ARG 78 -20.163 -4.468 2.014 621 HA ARG 78 HA ARG 78 -19.223 -3.748 -0.668 622 1HB ARG 78 HB2 ARG 78 -19.640 -1.642 0.519 623 2HB ARG 78 HB1 ARG 78 -18.618 -2.178 1.845 624 1HG ARG 78 HG2 ARG 78 -16.704 -2.261 0.277 625 2HG ARG 78 HG1 ARG 78 -17.751 -1.595 -0.978 626 1HD ARG 78 HD2 ARG 78 -17.774 0.479 -0.049 627 2HD ARG 78 HD1 ARG 78 -17.646 -0.139 1.597 628 HE ARG 78 HE ARG 78 -15.226 -0.664 0.359 629 1HH1 ARG 78 1HH1 ARG 78 -17.119 2.139 1.217 630 2HH1 ARG 78 2HH1 ARG 78 -15.738 3.166 1.415 631 1HH2 ARG 78 1HH2 ARG 78 -13.408 0.685 0.618 632 2HH2 ARG 78 2HH2 ARG 78 -13.632 2.341 1.074 633 H HIS 79 HN HIS 79 -18.113 -5.677 -0.893 634 HA HIS 79 HA HIS 79 -16.394 -6.697 1.151 635 1HB HIS 79 HB2 HIS 79 -17.551 -8.077 -0.629 636 2HB HIS 79 HB1 HIS 79 -16.373 -7.444 -1.774 637 HD1 HIS 79 HD1 HIS 79 -13.752 -7.893 -0.874 638 HD2 HIS 79 HD2 HIS 79 -16.771 -10.426 0.441 639 HE1 HIS 79 HE1 HIS 79 -12.586 -9.976 -0.086 640 HE2 HIS 79 HE2 HIS 79 -14.438 -11.525 0.632 641 H ILE 80 HN ILE 80 -14.711 -5.411 1.708 642 HA ILE 80 HA ILE 80 -13.047 -4.321 -0.445 643 HB ILE 80 HB ILE 80 -13.747 -2.559 0.970 644 1HG1 ILE 80 2HG1 ILE 80 -11.027 -3.349 2.007 645 2HG1 ILE 80 1HG1 ILE 80 -11.303 -2.643 0.419 646 1HG2 ILE 80 1HG2 ILE 80 -12.947 -4.289 3.303 647 2HG2 ILE 80 2HG2 ILE 80 -14.586 -3.833 2.837 648 3HG2 ILE 80 3HG2 ILE 80 -13.464 -2.607 3.424 649 1HD1 ILE 80 1HD1 ILE 80 -12.135 -0.615 1.425 650 2HD1 ILE 80 2HD1 ILE 80 -10.542 -1.001 2.078 651 3HD1 ILE 80 3HD1 ILE 80 -11.990 -1.325 3.034 652 H THR 81 HN THR 81 -11.369 -5.568 -0.927 653 HA THR 81 HA THR 81 -10.083 -7.146 1.189 654 HB THR 81 HB THR 81 -8.976 -7.841 -1.295 655 HG1 THR 81 HG1 THR 81 -11.794 -7.599 -1.473 656 1HG2 THR 81 1HG2 THR 81 -10.758 -9.102 0.667 657 2HG2 THR 81 2HG2 THR 81 -9.275 -9.698 -0.078 658 3HG2 THR 81 3HG2 THR 81 -10.801 -9.778 -0.960 659 H LEU 82 HN LEU 82 -8.093 -6.612 1.898 660 HA LEU 82 HA LEU 82 -6.508 -4.754 0.246 661 1HB LEU 82 HB2 LEU 82 -7.276 -4.595 3.109 662 2HB LEU 82 HB1 LEU 82 -5.659 -4.070 2.681 663 HG LEU 82 HG LEU 82 -7.893 -2.977 1.063 664 1HD1 LEU 82 1HD1 LEU 82 -7.493 -2.447 3.972 665 2HD1 LEU 82 2HD1 LEU 82 -8.989 -2.594 3.051 666 3HD1 LEU 82 3HD1 LEU 82 -8.004 -1.140 2.904 667 1HD2 LEU 82 1HD2 LEU 82 -6.497 -1.029 1.018 668 2HD2 LEU 82 2HD2 LEU 82 -5.493 -2.440 0.683 669 3HD2 LEU 82 3HD2 LEU 82 -5.454 -1.690 2.278 670 H TRP 83 HN TRP 83 -4.727 -5.733 -0.422 671 HA TRP 83 HA TRP 83 -3.454 -7.719 1.340 672 1HB TRP 83 HB2 TRP 83 -3.241 -7.349 -1.657 673 2HB TRP 83 HB1 TRP 83 -2.316 -8.525 -0.729 674 HD1 TRP 83 HD1 TRP 83 -6.046 -7.874 -0.127 675 HE1 TRP 83 HE1 TRP 83 -7.352 -10.013 -0.684 676 HE3 TRP 83 HE3 TRP 83 -2.226 -10.663 -2.051 677 HZ2 TRP 83 HZ2 TRP 83 -6.831 -12.558 -1.795 678 HZ3 TRP 83 HZ3 TRP 83 -2.712 -12.942 -2.840 679 HH2 TRP 83 HH2 TRP 83 -4.967 -13.870 -2.713 680 H PHE 84 HN PHE 84 -1.637 -7.139 2.306 681 HA PHE 84 HA PHE 84 -0.200 -4.800 1.280 682 1HB PHE 84 HB2 PHE 84 -0.314 -6.072 3.999 683 2HB PHE 84 HB1 PHE 84 1.000 -4.991 3.572 684 HD1 PHE 84 HD1 PHE 84 0.265 -3.562 5.477 685 HD2 PHE 84 HD2 PHE 84 -2.226 -4.296 2.095 686 HE1 PHE 84 HE1 PHE 84 -1.134 -1.636 6.085 687 HE2 PHE 84 HE2 PHE 84 -3.624 -2.369 2.706 688 HZ PHE 84 HZ PHE 84 -3.080 -1.037 4.702 689 H TRP 85 HN TRP 85 1.472 -5.205 -0.003 690 HA TRP 85 HA TRP 85 2.883 -7.741 0.219 691 1HB TRP 85 HB2 TRP 85 2.867 -5.583 -1.883 692 2HB TRP 85 HB1 TRP 85 3.995 -6.937 -1.925 693 HD1 TRP 85 HD1 TRP 85 0.143 -6.467 -1.693 694 HE1 TRP 85 HE1 TRP 85 -0.961 -8.326 -3.086 695 HE3 TRP 85 HE3 TRP 85 4.343 -8.974 -3.177 696 HZ2 TRP 85 HZ2 TRP 85 -0.159 -10.561 -4.613 697 HZ3 TRP 85 HZ3 TRP 85 4.089 -10.963 -4.601 698 HH2 TRP 85 HH2 TRP 85 1.883 -11.739 -5.304 699 H LEU 86 HN LEU 86 5.146 -7.914 0.441 700 HA LEU 86 HA LEU 86 6.322 -5.652 1.879 701 1HB LEU 86 HB2 LEU 86 6.345 -7.706 3.089 702 2HB LEU 86 HB1 LEU 86 7.057 -8.565 1.737 703 HG LEU 86 HG LEU 86 9.097 -7.073 2.034 704 1HD1 LEU 86 1HD1 LEU 86 7.628 -5.529 3.573 705 2HD1 LEU 86 2HD1 LEU 86 9.353 -5.736 3.871 706 3HD1 LEU 86 3HD1 LEU 86 8.178 -6.637 4.830 707 1HD2 LEU 86 1HD2 LEU 86 8.549 -8.775 4.442 708 2HD2 LEU 86 2HD2 LEU 86 10.063 -8.544 3.570 709 3HD2 LEU 86 3HD2 LEU 86 8.761 -9.481 2.840 710 H VAL 87 HN VAL 87 7.268 -4.291 0.520 711 HA VAL 87 HA VAL 87 8.792 -5.170 -1.795 712 HB VAL 87 HB VAL 87 8.480 -2.403 -0.707 713 1HG1 VAL 87 1HG1 VAL 87 8.716 -2.071 -3.345 714 2HG1 VAL 87 2HG1 VAL 87 9.650 -3.550 -3.152 715 3HG1 VAL 87 3HG1 VAL 87 10.097 -2.107 -2.251 716 1HG2 VAL 87 1HG2 VAL 87 6.315 -2.531 -1.260 717 2HG2 VAL 87 2HG2 VAL 87 6.546 -4.146 -1.939 718 3HG2 VAL 87 3HG2 VAL 87 6.820 -2.719 -2.940 719 H GLU 88 HN GLU 88 11.018 -4.869 -2.089 720 HA GLU 88 HA GLU 88 12.384 -4.319 0.457 721 1HB GLU 88 HB2 GLU 88 13.766 -5.808 -1.729 722 2HB GLU 88 HB1 GLU 88 13.985 -5.921 0.012 723 1HG GLU 88 HG2 GLU 88 11.819 -7.061 0.195 724 2HG GLU 88 HG1 GLU 88 11.645 -6.980 -1.558 725 H ARG 89 HN ARG 89 12.350 -3.307 -2.915 726 HA ARG 89 HA ARG 89 14.015 -1.079 -2.233 727 1HB ARG 89 HB2 ARG 89 15.916 -2.314 -2.537 728 2HB ARG 89 HB1 ARG 89 15.152 -3.415 -3.670 729 1HG ARG 89 HG2 ARG 89 15.274 -1.690 -5.412 730 2HG ARG 89 HG1 ARG 89 16.068 -0.607 -4.267 731 1HD ARG 89 HD2 ARG 89 17.542 -2.959 -4.140 732 2HD ARG 89 HD1 ARG 89 17.177 -2.760 -5.853 733 HE ARG 89 HE ARG 89 19.047 -1.273 -4.359 734 1HH1 ARG 89 1HH1 ARG 89 16.608 -0.859 -6.822 735 2HH1 ARG 89 2HH1 ARG 89 17.376 0.525 -7.525 736 1HH2 ARG 89 1HH2 ARG 89 20.058 0.547 -5.284 737 2HH2 ARG 89 2HH2 ARG 89 19.335 1.322 -6.653 738 H TRP 90 HN TRP 90 14.424 0.372 -4.132 739 HA TRP 90 HA TRP 90 12.787 -0.079 -6.447 740 1HB TRP 90 HB2 TRP 90 11.236 1.646 -6.200 741 2HB TRP 90 HB1 TRP 90 11.293 0.915 -4.604 742 HD1 TRP 90 HD1 TRP 90 12.933 3.937 -6.424 743 HE1 TRP 90 HE1 TRP 90 13.104 5.864 -4.727 744 HE3 TRP 90 HE3 TRP 90 11.119 1.536 -2.296 745 HZ2 TRP 90 HZ2 TRP 90 12.532 6.311 -1.999 746 HZ3 TRP 90 HZ3 TRP 90 10.957 2.789 -0.182 747 HH2 TRP 90 HH2 TRP 90 11.650 5.123 -0.039 748 H GLU 91 HN GLU 91 13.669 0.777 -8.230 749 HA GLU 91 HA GLU 91 16.121 2.244 -7.974 750 1HB GLU 91 HB2 GLU 91 15.344 0.512 -9.800 751 2HB GLU 91 HB1 GLU 91 14.688 1.942 -10.583 752 1HG GLU 91 HG2 GLU 91 16.746 2.814 -11.033 753 2HG GLU 91 HG1 GLU 91 17.509 2.018 -9.658 754 H GLY 92 HN GLY 92 16.529 4.375 -8.404 755 1HA GLY 92 HA2 GLY 92 16.099 6.621 -8.609 756 2HA GLY 92 HA1 GLY 92 14.824 6.159 -9.726 757 H GLU 93 HN GLU 93 12.870 6.839 -9.176 758 HA GLU 93 HA GLU 93 12.153 6.925 -6.334 759 1HB GLU 93 HB2 GLU 93 11.980 9.153 -8.331 760 2HB GLU 93 HB1 GLU 93 10.826 9.071 -7.007 761 1HG GLU 93 HG2 GLU 93 13.041 8.802 -5.584 762 2HG GLU 93 HG1 GLU 93 13.728 9.658 -6.964 763 HA PRO 94 HA PRO 94 8.515 4.875 -7.873 764 1HB PRO 94 HB2 PRO 94 7.195 5.520 -5.353 765 2HB PRO 94 HB1 PRO 94 7.750 3.951 -5.939 766 1HG PRO 94 HG2 PRO 94 8.933 5.190 -3.869 767 2HG PRO 94 HG1 PRO 94 9.847 4.195 -5.016 768 1HD PRO 94 HD2 PRO 94 9.539 7.188 -4.951 769 2HD PRO 94 HD1 PRO 94 11.019 6.220 -5.132 770 H TRP 95 HN TRP 95 6.966 5.636 -9.167 771 HA TRP 95 HA TRP 95 5.629 8.124 -8.366 772 1HB TRP 95 HB2 TRP 95 5.479 8.644 -10.854 773 2HB TRP 95 HB1 TRP 95 7.050 8.844 -10.093 774 HD1 TRP 95 HD1 TRP 95 8.981 7.150 -10.822 775 HE1 TRP 95 HE1 TRP 95 9.298 5.706 -12.936 776 HE3 TRP 95 HE3 TRP 95 4.155 7.100 -12.481 777 HZ2 TRP 95 HZ2 TRP 95 7.705 4.709 -15.036 778 HZ3 TRP 95 HZ3 TRP 95 3.634 5.888 -14.556 779 HH2 TRP 95 HH2 TRP 95 5.371 4.707 -15.799 780 H GLY 96 HN GLY 96 5.408 5.515 -10.758 781 1HA GLY 96 HA2 GLY 96 3.561 4.439 -11.644 782 2HA GLY 96 HA1 GLY 96 3.075 4.332 -9.963 783 H LYS 97 HN LYS 97 1.393 5.535 -9.226 784 HA LYS 97 HA LYS 97 0.411 7.895 -10.337 785 1HB LYS 97 HB2 LYS 97 -0.084 5.941 -12.119 786 2HB LYS 97 HB1 LYS 97 -1.517 5.781 -11.115 787 1HG LYS 97 HG2 LYS 97 -1.439 8.467 -11.493 788 2HG LYS 97 HG1 LYS 97 -0.767 7.879 -13.016 789 1HD LYS 97 HD2 LYS 97 -2.735 7.012 -13.690 790 2HD LYS 97 HD1 LYS 97 -3.146 6.434 -12.075 791 1HE LYS 97 HE2 LYS 97 -3.158 9.357 -12.405 792 2HE LYS 97 HE1 LYS 97 -4.385 8.493 -13.331 793 1HZ LYS 97 HZ1 LYS 97 -5.203 9.122 -11.149 794 2HZ LYS 97 HZ2 LYS 97 -3.953 8.264 -10.401 795 3HZ LYS 97 HZ3 LYS 97 -5.132 7.437 -11.289 796 H GLU 98 HN GLU 98 0.807 6.712 -7.771 797 HA GLU 98 HA GLU 98 -1.512 5.767 -6.541 798 1HB GLU 98 HB2 GLU 98 -0.473 6.738 -4.429 799 2HB GLU 98 HB1 GLU 98 0.508 5.591 -5.328 800 1HG GLU 98 HG2 GLU 98 1.469 7.757 -6.446 801 2HG GLU 98 HG1 GLU 98 0.861 8.523 -4.984 802 H GLY 99 HN GLY 99 -0.343 9.116 -6.901 803 1HA GLY 99 HA2 GLY 99 -1.778 10.945 -7.341 804 2HA GLY 99 HA1 GLY 99 -3.120 10.017 -6.697 805 H GLN 100 HN GLN 100 -0.377 9.897 -4.685 806 HA GLN 100 HA GLN 100 -1.222 12.247 -3.158 807 1HB GLN 100 HB2 GLN 100 -1.274 9.406 -2.203 808 2HB GLN 100 HB1 GLN 100 -0.961 10.709 -1.066 809 1HG GLN 100 HG2 GLN 100 -3.080 11.547 -1.223 810 2HG GLN 100 HG1 GLN 100 -3.319 10.932 -2.859 811 1HE2 GLN 100 1HE2 GLN 100 -4.396 10.622 0.156 812 2HE2 GLN 100 2HE2 GLN 100 -4.876 8.962 0.160 813 HA PRO 101 HA PRO 101 3.328 12.472 -3.703 814 1HB PRO 101 HB2 PRO 101 2.455 14.920 -2.207 815 2HB PRO 101 HB1 PRO 101 3.678 14.768 -3.475 816 1HG PRO 101 HG2 PRO 101 1.295 15.717 -4.078 817 2HG PRO 101 HG1 PRO 101 2.070 14.543 -5.159 818 1HD PRO 101 HD2 PRO 101 -0.180 14.158 -3.245 819 2HD PRO 101 HD1 PRO 101 0.122 13.373 -4.809 820 H GLY 102 HN GLY 102 4.645 11.463 -2.320 821 1HA GLY 102 HA2 GLY 102 4.326 11.965 0.565 822 2HA GLY 102 HA1 GLY 102 4.472 10.320 -0.028 823 H GLU 103 HN GLU 103 6.283 10.854 1.757 824 HA GLU 103 HA GLU 103 8.741 11.359 0.217 825 1HB GLU 103 HB2 GLU 103 7.891 12.504 2.841 826 2HB GLU 103 HB1 GLU 103 9.596 12.161 2.589 827 1HG GLU 103 HG2 GLU 103 7.951 13.852 0.729 828 2HG GLU 103 HG1 GLU 103 8.885 14.500 2.076 829 H TRP 104 HN TRP 104 10.654 10.267 1.053 830 HA TRP 104 HA TRP 104 10.083 7.585 1.828 831 1HB TRP 104 HB2 TRP 104 12.860 8.670 2.075 832 2HB TRP 104 HB1 TRP 104 12.318 7.126 1.429 833 HD1 TRP 104 HD1 TRP 104 10.256 8.449 -0.741 834 HE1 TRP 104 HE1 TRP 104 11.264 9.499 -2.861 835 HE3 TRP 104 HE3 TRP 104 15.029 9.219 0.924 836 HZ2 TRP 104 HZ2 TRP 104 13.753 10.520 -3.717 837 HZ3 TRP 104 HZ3 TRP 104 16.662 10.237 -0.609 838 HH2 TRP 104 HH2 TRP 104 16.036 10.873 -2.881 839 H MET 105 HN MET 105 9.363 7.155 3.817 840 HA MET 105 HA MET 105 10.794 8.358 6.096 841 1HB MET 105 HB2 MET 105 8.721 8.177 7.391 842 2HB MET 105 HB1 MET 105 8.499 9.183 5.967 843 1HG MET 105 HG2 MET 105 7.459 7.282 4.810 844 2HG MET 105 HG1 MET 105 7.637 6.316 6.274 845 1HE MET 105 HE1 MET 105 7.026 7.592 8.573 846 2HE MET 105 HE2 MET 105 5.448 8.347 8.795 847 3HE MET 105 HE3 MET 105 6.814 9.310 8.234 848 H SER 106 HN SER 106 10.929 7.031 8.032 849 HA SER 106 HA SER 106 11.706 4.359 7.417 850 1HB SER 106 HB2 SER 106 11.936 4.241 9.992 851 2HB SER 106 HB1 SER 106 12.979 5.360 9.114 852 HG SER 106 HG SER 106 12.116 6.495 10.798 853 H LEU 107 HN LEU 107 10.457 2.620 7.307 854 HA LEU 107 HA LEU 107 7.712 2.716 8.180 855 1HB LEU 107 HB2 LEU 107 8.733 1.538 6.095 856 2HB LEU 107 HB1 LEU 107 9.080 0.234 7.212 857 HG LEU 107 HG LEU 107 6.973 -0.077 5.933 858 1HD1 LEU 107 1HD1 LEU 107 6.120 0.252 8.755 859 2HD1 LEU 107 2HD1 LEU 107 7.494 -0.805 8.427 860 3HD1 LEU 107 3HD1 LEU 107 5.935 -1.123 7.665 861 1HD2 LEU 107 1HD2 LEU 107 5.846 2.144 7.616 862 2HD2 LEU 107 2HD2 LEU 107 5.085 1.291 6.273 863 3HD2 LEU 107 3HD2 LEU 107 6.423 2.399 5.969 864 H VAL 108 HN VAL 108 10.714 1.380 9.334 865 HA VAL 108 HA VAL 108 9.888 -0.615 11.043 866 HB VAL 108 HB VAL 108 12.250 -0.061 10.650 867 1HG1 VAL 108 1HG1 VAL 108 12.128 2.355 10.721 868 2HG1 VAL 108 2HG1 VAL 108 13.300 1.779 11.904 869 3HG1 VAL 108 3HG1 VAL 108 11.703 2.310 12.432 870 1HG2 VAL 108 1HG2 VAL 108 11.379 -0.076 13.535 871 2HG2 VAL 108 2HG2 VAL 108 13.037 -0.343 12.999 872 3HG2 VAL 108 3HG2 VAL 108 11.765 -1.470 12.526 873 H GLY 109 HN GLY 109 9.388 2.800 11.322 874 1HA GLY 109 HA2 GLY 109 8.159 2.360 13.969 875 2HA GLY 109 HA1 GLY 109 9.045 3.825 13.578 876 H LEU 110 HN LEU 110 6.697 2.025 11.623 877 HA LEU 110 HA LEU 110 5.358 4.340 10.746 878 1HB LEU 110 HB2 LEU 110 5.314 2.169 9.563 879 2HB LEU 110 HB1 LEU 110 4.329 1.502 10.850 880 HG LEU 110 HG LEU 110 3.300 3.932 9.490 881 1HD1 LEU 110 1HD1 LEU 110 2.261 2.391 7.757 882 2HD1 LEU 110 2HD1 LEU 110 3.515 1.231 8.197 883 3HD1 LEU 110 3HD1 LEU 110 3.961 2.806 7.539 884 1HD2 LEU 110 1HD2 LEU 110 1.226 2.324 9.674 885 2HD2 LEU 110 2HD2 LEU 110 1.819 3.209 11.078 886 3HD2 LEU 110 3HD2 LEU 110 2.245 1.512 10.863 887 H ASN 111 HN ASN 111 3.287 5.168 11.299 888 HA ASN 111 HA ASN 111 2.428 4.438 14.013 889 1HB ASN 111 HB2 ASN 111 3.270 6.952 12.973 890 2HB ASN 111 HB1 ASN 111 1.569 7.073 13.400 891 1HD2 ASN 111 1HD2 ASN 111 4.790 6.563 14.570 892 2HD2 ASN 111 2HD2 ASN 111 4.430 6.744 16.249 893 H ALA 112 HN ALA 112 0.386 3.955 14.388 894 HA ALA 112 HA ALA 112 -1.402 3.586 12.202 895 1HB ALA 112 HB1 ALA 112 -1.196 2.259 14.444 896 2HB ALA 112 HB2 ALA 112 -2.772 2.454 13.675 897 3HB ALA 112 HB3 ALA 112 -2.324 3.476 15.042 898 H ASP 113 HN ASP 113 -0.676 6.215 14.242 899 HA ASP 113 HA ASP 113 -3.264 7.458 14.208 900 1HB ASP 113 HB2 ASP 113 -1.120 7.752 15.813 901 2HB ASP 113 HB1 ASP 113 -0.859 9.110 14.721 902 H ASP 114 HN ASP 114 -0.168 8.094 12.548 903 HA ASP 114 HA ASP 114 -1.149 10.260 11.015 904 1HB ASP 114 HB2 ASP 114 0.958 9.042 9.568 905 2HB ASP 114 HB1 ASP 114 1.021 10.489 10.558 906 H PHE 115 HN PHE 115 -1.103 6.810 10.512 907 HA PHE 115 HA PHE 115 -2.042 7.073 7.774 908 1HB PHE 115 HB2 PHE 115 -1.267 4.963 7.501 909 2HB PHE 115 HB1 PHE 115 -0.490 5.196 9.065 910 HD1 PHE 115 HD1 PHE 115 -2.015 2.805 7.338 911 HD2 PHE 115 HD2 PHE 115 -2.570 4.940 10.958 912 HE1 PHE 115 HE1 PHE 115 -3.274 0.907 8.262 913 HE2 PHE 115 HE2 PHE 115 -3.829 3.052 11.900 914 HZ PHE 115 HZ PHE 115 -4.181 1.037 10.548 915 HA PRO 116 HA PRO 116 -6.358 6.512 8.542 916 1HB PRO 116 HB2 PRO 116 -7.133 4.369 7.048 917 2HB PRO 116 HB1 PRO 116 -6.747 5.947 6.352 918 1HG PRO 116 HG2 PRO 116 -5.044 3.492 6.539 919 2HG PRO 116 HG1 PRO 116 -5.248 4.612 5.179 920 1HD PRO 116 HD2 PRO 116 -3.107 4.709 6.819 921 2HD PRO 116 HD1 PRO 116 -3.798 6.167 6.078 922 HA PRO 117 HA PRO 117 -6.386 3.597 11.963 923 1HB PRO 117 HB2 PRO 117 -8.920 4.152 12.823 924 2HB PRO 117 HB1 PRO 117 -7.514 5.154 13.199 925 1HG PRO 117 HG2 PRO 117 -9.599 5.532 11.084 926 2HG PRO 117 HG1 PRO 117 -8.873 6.734 12.168 927 1HD PRO 117 HD2 PRO 117 -8.092 6.477 9.606 928 2HD PRO 117 HD1 PRO 117 -6.949 6.905 10.895 929 H ALA 118 HN ALA 118 -8.594 3.639 9.296 930 HA ALA 118 HA ALA 118 -10.098 1.336 10.021 931 1HB ALA 118 HB1 ALA 118 -10.465 3.268 8.198 932 2HB ALA 118 HB2 ALA 118 -11.278 1.703 8.134 933 3HB ALA 118 HB3 ALA 118 -9.834 1.989 7.161 934 H ASN 119 HN ASN 119 -6.919 1.662 9.028 935 HA ASN 119 HA ASN 119 -6.868 -1.103 8.009 936 1HB ASN 119 HB2 ASN 119 -5.673 1.389 7.058 937 2HB ASN 119 HB1 ASN 119 -4.519 0.063 7.150 938 1HD2 ASN 119 1HD2 ASN 119 -7.957 0.273 6.318 939 2HD2 ASN 119 2HD2 ASN 119 -7.811 -0.491 4.777 940 H GLU 120 HN GLU 120 -6.732 -0.351 10.802 941 HA GLU 120 HA GLU 120 -4.001 -0.420 11.645 942 1HB GLU 120 HB2 GLU 120 -6.558 -0.007 12.867 943 2HB GLU 120 HB1 GLU 120 -5.656 -1.196 13.795 944 1HG GLU 120 HG2 GLU 120 -4.124 1.171 12.990 945 2HG GLU 120 HG1 GLU 120 -5.452 1.477 14.109 946 HA PRO 121 HA PRO 121 -5.495 -5.047 12.877 947 1HB PRO 121 HB2 PRO 121 -6.647 -5.405 10.137 948 2HB PRO 121 HB1 PRO 121 -7.085 -6.204 11.652 949 1HG PRO 121 HG2 PRO 121 -8.586 -4.233 10.681 950 2HG PRO 121 HG1 PRO 121 -8.291 -4.378 12.423 951 1HD PRO 121 HD2 PRO 121 -7.176 -2.437 10.470 952 2HD PRO 121 HD1 PRO 121 -7.495 -2.239 12.204 953 H VAL 122 HN VAL 122 -4.546 -3.855 9.691 954 HA VAL 122 HA VAL 122 -2.759 -6.044 9.177 955 HB VAL 122 HB VAL 122 -2.751 -3.373 7.773 956 1HG1 VAL 122 1HG1 VAL 122 -1.716 -6.111 7.170 957 2HG1 VAL 122 2HG1 VAL 122 -0.903 -4.551 7.040 958 3HG1 VAL 122 3HG1 VAL 122 -2.127 -5.009 5.854 959 1HG2 VAL 122 1HG2 VAL 122 -4.244 -4.654 6.100 960 2HG2 VAL 122 2HG2 VAL 122 -4.986 -3.962 7.543 961 3HG2 VAL 122 3HG2 VAL 122 -4.626 -5.688 7.476 962 H ILE 123 HN ILE 123 -2.508 -2.696 10.258 963 HA ILE 123 HA ILE 123 0.334 -2.647 10.358 964 HB ILE 123 HB ILE 123 -1.628 -0.908 11.859 965 1HG1 ILE 123 2HG1 ILE 123 -1.800 -0.917 9.326 966 2HG1 ILE 123 1HG1 ILE 123 -1.467 0.645 10.068 967 1HG2 ILE 123 1HG2 ILE 123 0.531 0.633 11.530 968 2HG2 ILE 123 2HG2 ILE 123 1.318 -0.943 11.614 969 3HG2 ILE 123 3HG2 ILE 123 0.294 -0.395 12.945 970 1HD1 ILE 123 1HD1 ILE 123 0.498 -1.153 8.680 971 2HD1 ILE 123 2HD1 ILE 123 0.931 0.315 9.558 972 3HD1 ILE 123 3HD1 ILE 123 -0.101 0.413 8.130 973 H ALA 124 HN ALA 124 -2.186 -3.590 12.611 974 HA ALA 124 HA ALA 124 -0.756 -3.564 14.993 975 1HB ALA 124 HB1 ALA 124 -3.214 -4.084 14.668 976 2HB ALA 124 HB2 ALA 124 -2.365 -5.076 15.854 977 3HB ALA 124 HB3 ALA 124 -2.720 -5.725 14.253 978 H LYS 125 HN LYS 125 -0.540 -5.671 12.247 979 HA LYS 125 HA LYS 125 0.955 -7.725 13.616 980 1HB LYS 125 HB2 LYS 125 -0.084 -7.274 10.897 981 2HB LYS 125 HB1 LYS 125 1.417 -8.188 10.974 982 1HG LYS 125 HG2 LYS 125 0.349 -10.017 11.623 983 2HG LYS 125 HG1 LYS 125 -0.443 -9.153 12.942 984 1HD LYS 125 HD2 LYS 125 -1.526 -8.549 10.287 985 2HD LYS 125 HD1 LYS 125 -1.717 -10.232 10.780 986 1HE LYS 125 HE2 LYS 125 -2.854 -9.577 12.788 987 2HE LYS 125 HE1 LYS 125 -2.513 -7.875 12.479 988 1HZ LYS 125 HZ1 LYS 125 -4.610 -7.979 11.670 989 2HZ LYS 125 HZ2 LYS 125 -4.514 -9.618 11.267 990 3HZ LYS 125 HZ3 LYS 125 -3.802 -8.458 10.263 991 H LEU 126 HN LEU 126 1.769 -5.243 11.180 992 HA LEU 126 HA LEU 126 4.580 -5.814 11.328 993 1HB LEU 126 HB2 LEU 126 3.060 -4.733 9.414 994 2HB LEU 126 HB1 LEU 126 3.609 -3.256 10.178 995 HG LEU 126 HG LEU 126 5.917 -3.819 9.750 996 1HD1 LEU 126 1HD1 LEU 126 6.414 -5.999 9.787 997 2HD1 LEU 126 2HD1 LEU 126 5.983 -5.975 8.077 998 3HD1 LEU 126 3HD1 LEU 126 4.795 -6.476 9.280 999 1HD2 LEU 126 1HD2 LEU 126 4.605 -2.718 7.970 1000 2HD2 LEU 126 2HD2 LEU 126 4.274 -4.303 7.270 1001 3HD2 LEU 126 3HD2 LEU 126 5.929 -3.700 7.341 1002 H LYS 127 HN LYS 127 2.412 -3.464 12.738 1003 HA LYS 127 HA LYS 127 4.158 -1.523 13.634 1004 1HB LYS 127 HB2 LYS 127 1.684 -1.495 13.800 1005 2HB LYS 127 HB1 LYS 127 1.787 -2.600 15.155 1006 1HG LYS 127 HG2 LYS 127 2.676 -1.009 16.558 1007 2HG LYS 127 HG1 LYS 127 3.282 -0.020 15.230 1008 1HD LYS 127 HD2 LYS 127 1.415 1.120 16.190 1009 2HD LYS 127 HD1 LYS 127 0.904 0.479 14.628 1010 1HE LYS 127 HE2 LYS 127 -0.531 -1.014 15.557 1011 2HE LYS 127 HE1 LYS 127 0.477 -1.258 16.984 1012 1HZ LYS 127 HZ1 LYS 127 -0.448 0.514 18.055 1013 2HZ LYS 127 HZ2 LYS 127 -1.780 0.019 17.138 1014 3HZ LYS 127 HZ3 LYS 127 -0.848 1.334 16.628 1015 H ARG 128 HN ARG 128 3.300 -4.605 15.137 1016 HA ARG 128 HA ARG 128 4.900 -4.194 17.464 1017 1HB ARG 128 HB2 ARG 128 3.013 -5.739 17.505 1018 2HB ARG 128 HB1 ARG 128 3.764 -6.724 16.257 1019 1HG ARG 128 HG2 ARG 128 5.482 -7.435 17.727 1020 2HG ARG 128 HG1 ARG 128 5.021 -6.243 18.944 1021 1HD ARG 128 HD2 ARG 128 3.304 -8.546 18.027 1022 2HD ARG 128 HD1 ARG 128 4.266 -8.524 19.505 1023 HE ARG 128 HE ARG 128 2.711 -6.321 19.741 1024 1HH1 ARG 128 1HH1 ARG 128 2.020 -9.678 19.086 1025 2HH1 ARG 128 2HH1 ARG 128 0.459 -9.632 19.833 1026 1HH2 ARG 128 1HH2 ARG 128 0.659 -6.259 20.725 1027 2HH2 ARG 128 2HH2 ARG 128 -0.314 -7.690 20.763 1028 H LEU 129 HN LEU 129 5.685 -4.687 14.281 1029 HA LEU 129 HA LEU 129 7.546 -5.359 13.156 1030 1HB LEU 129 HB2 LEU 129 8.974 -4.809 15.747 1031 2HB LEU 129 HB1 LEU 129 9.641 -4.735 14.128 1032 HG LEU 129 HG LEU 129 7.367 -2.924 14.743 1033 1HD1 LEU 129 1HD1 LEU 129 8.986 -2.895 16.716 1034 2HD1 LEU 129 2HD1 LEU 129 8.629 -1.355 15.934 1035 3HD1 LEU 129 3HD1 LEU 129 10.148 -2.185 15.595 1036 1HD2 LEU 129 1HD2 LEU 129 8.263 -1.621 13.081 1037 2HD2 LEU 129 2HD2 LEU 129 8.778 -3.222 12.550 1038 3HD2 LEU 129 3HD2 LEU 129 9.911 -2.164 13.391 1039 1HO1 MO2 130 1HO1 MO2 130 -6.482 3.598 -11.330 1040 2HO1 MO2 130 2HO1 MO2 130 -4.876 5.132 -8.863 1041 1HO2 MO2 130 1HO2 MO2 130 -5.867 2.501 -12.171 1042 2HO2 MO2 130 2HO2 MO2 130 -5.720 4.235 -7.985 1043 1H5* 8OG 131 1H5* 8OG 131 -11.866 3.362 -2.905 1044 2H5* 8OG 131 2H5* 8OG 131 -11.731 3.765 -1.220 1045 H4* 8OG 131 1H4* 8OG 131 -9.735 2.301 -2.929 1046 H3* 8OG 131 1H3* 8OG 131 -11.884 1.313 -1.372 1047 1H2* 8OG 131 1H2* 8OG 131 -10.895 0.570 0.491 1048 2H2* 8OG 131 2H2* 8OG 131 -9.718 -0.308 -0.459 1049 H1* 8OG 131 1H1* 8OG 131 -8.145 1.180 -0.014 1050 H1 8OG 131 H1 8OG 131 -5.550 2.139 5.255 1051 H7 8OG 131 H7 8OG 131 -10.349 3.023 4.217 1052 1H2 8OG 131 H21 8OG 131 -4.143 1.067 2.238 1053 2H2 8OG 131 H22 8OG 131 -3.879 1.416 3.914 1054 H3T 8OG 131 *HO1 8OG 131 -11.201 0.509 -3.445 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -25.151 -6.104 -4.302 2 2H MET 1 HT2 MET 1 -25.858 -7.359 -3.370 3 3H MET 1 HT3 MET 1 -25.062 -7.726 -4.846 4 HA MET 1 HA MET 1 -23.925 -6.889 -2.282 5 1HB MET 1 HB2 MET 1 -23.170 -9.110 -4.183 6 2HB MET 1 HB1 MET 1 -22.680 -8.922 -2.505 7 1HG MET 1 HG2 MET 1 -25.488 -9.454 -3.447 8 2HG MET 1 HG1 MET 1 -24.377 -10.664 -2.808 9 1HE MET 1 HE1 MET 1 -25.687 -11.563 -0.882 10 2HE MET 1 HE2 MET 1 -27.100 -10.654 -1.418 11 3HE MET 1 HE3 MET 1 -26.607 -10.601 0.274 12 H LYS 2 HN LYS 2 -22.273 -5.518 -2.292 13 HA LYS 2 HA LYS 2 -20.926 -4.958 -4.842 14 1HB LYS 2 HB2 LYS 2 -22.060 -3.223 -3.056 15 2HB LYS 2 HB1 LYS 2 -20.372 -3.178 -2.568 16 1HG LYS 2 HG2 LYS 2 -19.674 -2.296 -4.584 17 2HG LYS 2 HG1 LYS 2 -21.105 -2.867 -5.446 18 1HD LYS 2 HD2 LYS 2 -22.338 -1.066 -4.856 19 2HD LYS 2 HD1 LYS 2 -21.607 -0.960 -3.254 20 1HE LYS 2 HE2 LYS 2 -21.106 0.960 -4.797 21 2HE LYS 2 HE1 LYS 2 -19.696 0.160 -4.104 22 1HZ LYS 2 HZ1 LYS 2 -19.331 -0.999 -6.144 23 2HZ LYS 2 HZ2 LYS 2 -19.494 0.645 -6.505 24 3HZ LYS 2 HZ3 LYS 2 -20.775 -0.417 -6.809 25 H LYS 3 HN LYS 3 -18.772 -5.234 -5.093 26 HA LYS 3 HA LYS 3 -17.141 -5.893 -2.753 27 1HB LYS 3 HB2 LYS 3 -17.012 -7.569 -5.255 28 2HB LYS 3 HB1 LYS 3 -16.271 -7.892 -3.694 29 1HG LYS 3 HG2 LYS 3 -18.736 -7.941 -2.848 30 2HG LYS 3 HG1 LYS 3 -19.107 -8.224 -4.550 31 1HD LYS 3 HD2 LYS 3 -16.929 -9.859 -3.416 32 2HD LYS 3 HD1 LYS 3 -18.546 -10.188 -2.789 33 1HE LYS 3 HE2 LYS 3 -18.712 -11.537 -4.579 34 2HE LYS 3 HE1 LYS 3 -19.043 -10.040 -5.449 35 1HZ LYS 3 HZ1 LYS 3 -16.262 -10.932 -5.110 36 2HZ LYS 3 HZ2 LYS 3 -16.941 -9.984 -6.336 37 3HZ LYS 3 HZ3 LYS 3 -17.225 -11.651 -6.301 38 H LEU 4 HN LEU 4 -15.085 -5.169 -2.857 39 HA LEU 4 HA LEU 4 -13.982 -4.294 -5.407 40 1HB LEU 4 HB2 LEU 4 -13.367 -2.083 -4.437 41 2HB LEU 4 HB1 LEU 4 -15.088 -2.307 -4.690 42 HG LEU 4 HG LEU 4 -14.993 -3.062 -2.143 43 1HD1 LEU 4 1HD1 LEU 4 -12.879 -2.830 -1.398 44 2HD1 LEU 4 2HD1 LEU 4 -13.359 -1.144 -1.210 45 3HD1 LEU 4 3HD1 LEU 4 -12.455 -1.651 -2.638 46 1HD2 LEU 4 1HD2 LEU 4 -14.859 -0.135 -2.433 47 2HD2 LEU 4 2HD2 LEU 4 -16.125 -1.155 -1.748 48 3HD2 LEU 4 3HD2 LEU 4 -16.000 -0.958 -3.497 49 H GLN 5 HN GLN 5 -11.816 -4.565 -5.525 50 HA GLN 5 HA GLN 5 -10.484 -5.574 -3.123 51 1HB GLN 5 HB2 GLN 5 -9.533 -5.785 -5.972 52 2HB GLN 5 HB1 GLN 5 -8.927 -6.668 -4.577 53 1HG GLN 5 HG2 GLN 5 -11.240 -7.652 -4.367 54 2HG GLN 5 HG1 GLN 5 -11.570 -6.960 -5.947 55 1HE2 GLN 5 1HE2 GLN 5 -11.863 -8.948 -6.924 56 2HE2 GLN 5 2HE2 GLN 5 -10.556 -10.034 -7.233 57 H ILE 6 HN ILE 6 -8.456 -4.911 -2.522 58 HA ILE 6 HA ILE 6 -7.237 -2.620 -3.822 59 HB ILE 6 HB ILE 6 -7.801 -2.563 -0.862 60 1HG1 ILE 6 2HG1 ILE 6 -9.381 -0.622 -1.707 61 2HG1 ILE 6 1HG1 ILE 6 -9.435 -1.599 -3.168 62 1HG2 ILE 6 1HG2 ILE 6 -7.329 -0.089 -2.344 63 2HG2 ILE 6 2HG2 ILE 6 -5.971 -1.215 -2.346 64 3HG2 ILE 6 3HG2 ILE 6 -6.646 -0.652 -0.818 65 1HD1 ILE 6 1HD1 ILE 6 -10.945 -1.899 -0.822 66 2HD1 ILE 6 2HD1 ILE 6 -9.852 -3.281 -0.906 67 3HD1 ILE 6 3HD1 ILE 6 -10.936 -2.931 -2.252 68 H ALA 7 HN ALA 7 -5.124 -3.088 -4.010 69 HA ALA 7 HA ALA 7 -3.891 -4.710 -1.874 70 1HB ALA 7 HB1 ALA 7 -3.728 -5.026 -4.832 71 2HB ALA 7 HB2 ALA 7 -3.902 -6.251 -3.584 72 3HB ALA 7 HB3 ALA 7 -2.344 -5.469 -3.841 73 H VAL 8 HN VAL 8 -1.833 -4.116 -1.234 74 HA VAL 8 HA VAL 8 -0.563 -1.920 -2.655 75 HB VAL 8 HB VAL 8 -0.821 -0.315 -1.139 76 1HG1 VAL 8 1HG1 VAL 8 -2.804 -0.432 0.274 77 2HG1 VAL 8 2HG1 VAL 8 -2.861 -2.182 0.062 78 3HG1 VAL 8 3HG1 VAL 8 -3.118 -1.117 -1.321 79 1HG2 VAL 8 1HG2 VAL 8 -0.447 -2.385 1.026 80 2HG2 VAL 8 2HG2 VAL 8 -0.613 -0.654 1.316 81 3HG2 VAL 8 3HG2 VAL 8 0.768 -1.268 0.404 82 H GLY 9 HN GLY 9 1.608 -1.436 -1.846 83 1HA GLY 9 HA2 GLY 9 2.853 -3.617 -0.342 84 2HA GLY 9 HA1 GLY 9 3.434 -3.291 -1.965 85 H ILE 10 HN ILE 10 4.163 -2.783 1.142 86 HA ILE 10 HA ILE 10 4.857 -0.009 1.137 87 HB ILE 10 HB ILE 10 6.527 -1.612 2.915 88 1HG1 ILE 10 2HG1 ILE 10 4.685 -3.210 2.870 89 2HG1 ILE 10 1HG1 ILE 10 4.703 -2.365 4.413 90 1HG2 ILE 10 1HG2 ILE 10 5.205 0.881 2.867 91 2HG2 ILE 10 2HG2 ILE 10 6.347 0.270 4.063 92 3HG2 ILE 10 3HG2 ILE 10 4.618 0.003 4.280 93 1HD1 ILE 10 1HD1 ILE 10 3.022 -1.007 2.507 94 2HD1 ILE 10 2HD1 ILE 10 2.640 -1.626 4.114 95 3HD1 ILE 10 3HD1 ILE 10 2.542 -2.691 2.711 96 H ILE 11 HN ILE 11 6.286 0.758 -0.293 97 HA ILE 11 HA ILE 11 8.266 -0.857 -1.528 98 HB ILE 11 HB ILE 11 8.500 2.111 -1.591 99 1HG1 ILE 11 2HG1 ILE 11 6.243 0.478 -2.735 100 2HG1 ILE 11 1HG1 ILE 11 6.164 2.004 -1.861 101 1HG2 ILE 11 1HG2 ILE 11 8.532 0.402 -4.003 102 2HG2 ILE 11 2HG2 ILE 11 9.843 0.169 -2.849 103 3HG2 ILE 11 3HG2 ILE 11 9.565 1.759 -3.559 104 1HD1 ILE 11 1HD1 ILE 11 5.659 2.292 -4.224 105 2HD1 ILE 11 2HD1 ILE 11 7.237 1.626 -4.644 106 3HD1 ILE 11 3HD1 ILE 11 7.129 3.157 -3.776 107 H ARG 12 HN ARG 12 10.151 -1.446 -0.797 108 HA ARG 12 HA ARG 12 11.293 -0.222 1.550 109 1HB ARG 12 HB2 ARG 12 11.543 -2.745 0.162 110 2HB ARG 12 HB1 ARG 12 13.123 -2.082 0.552 111 1HG ARG 12 HG2 ARG 12 11.380 -1.800 2.802 112 2HG ARG 12 HG1 ARG 12 11.373 -3.469 2.241 113 1HD ARG 12 HD2 ARG 12 13.971 -3.126 2.157 114 2HD ARG 12 HD1 ARG 12 13.626 -1.834 3.306 115 HE ARG 12 HE ARG 12 13.504 -4.664 3.789 116 1HH1 ARG 12 1HH1 ARG 12 12.336 -1.537 4.807 117 2HH1 ARG 12 2HH1 ARG 12 11.965 -2.061 6.416 118 1HH2 ARG 12 1HH2 ARG 12 13.018 -5.354 5.904 119 2HH2 ARG 12 2HH2 ARG 12 12.353 -4.226 7.039 120 H ASN 13 HN ASN 13 12.682 1.330 1.573 121 HA ASN 13 HA ASN 13 13.898 2.328 -0.831 122 1HB ASN 13 HB2 ASN 13 12.965 3.703 1.112 123 2HB ASN 13 HB1 ASN 13 14.468 3.335 1.906 124 1HD2 ASN 13 1HD2 ASN 13 14.182 3.878 -1.541 125 2HD2 ASN 13 2HD2 ASN 13 15.043 5.371 -1.561 126 H GLU 14 HN GLU 14 16.206 3.327 -0.163 127 HA GLU 14 HA GLU 14 17.971 1.055 -0.190 128 1HB GLU 14 HB2 GLU 14 18.414 2.785 -1.760 129 2HB GLU 14 HB1 GLU 14 18.352 4.028 -0.516 130 1HG GLU 14 HG2 GLU 14 20.413 1.918 -0.226 131 2HG GLU 14 HG1 GLU 14 20.630 3.091 -1.524 132 H ASN 15 HN ASN 15 16.620 2.735 2.319 133 HA ASN 15 HA ASN 15 18.895 2.086 4.057 134 1HB ASN 15 HB2 ASN 15 18.914 4.522 3.625 135 2HB ASN 15 HB1 ASN 15 17.272 4.632 4.252 136 1HD2 ASN 15 1HD2 ASN 15 18.210 6.169 5.740 137 2HD2 ASN 15 2HD2 ASN 15 18.984 5.595 7.174 138 H ASN 16 HN ASN 16 16.869 0.351 3.791 139 HA ASN 16 HA ASN 16 15.168 -0.758 4.835 140 1HB ASN 16 HB2 ASN 16 15.580 -0.037 7.547 141 2HB ASN 16 HB1 ASN 16 16.080 -1.507 6.726 142 1HD2 ASN 16 1HD2 ASN 16 17.109 1.177 8.392 143 2HD2 ASN 16 2HD2 ASN 16 18.789 1.119 7.990 144 H GLU 17 HN GLU 17 14.696 2.101 4.105 145 HA GLU 17 HA GLU 17 12.476 2.652 5.961 146 1HB GLU 17 HB2 GLU 17 12.619 5.007 5.137 147 2HB GLU 17 HB1 GLU 17 14.049 4.480 6.010 148 1HG GLU 17 HG2 GLU 17 15.113 4.010 3.789 149 2HG GLU 17 HG1 GLU 17 13.726 4.801 3.040 150 H ILE 18 HN ILE 18 10.467 3.370 4.963 151 HA ILE 18 HA ILE 18 10.289 2.631 2.118 152 HB ILE 18 HB ILE 18 8.471 1.808 4.360 153 1HG1 ILE 18 2HG1 ILE 18 9.289 -0.133 2.322 154 2HG1 ILE 18 1HG1 ILE 18 10.632 0.556 3.229 155 1HG2 ILE 18 1HG2 ILE 18 7.358 0.675 2.152 156 2HG2 ILE 18 2HG2 ILE 18 7.812 2.267 1.548 157 3HG2 ILE 18 3HG2 ILE 18 6.757 2.126 2.953 158 1HD1 ILE 18 1HD1 ILE 18 8.376 -1.138 4.176 159 2HD1 ILE 18 2HD1 ILE 18 9.169 -0.032 5.298 160 3HD1 ILE 18 3HD1 ILE 18 10.107 -1.285 4.484 161 H PHE 19 HN PHE 19 8.914 3.767 0.839 162 HA PHE 19 HA PHE 19 8.008 6.323 1.897 163 1HB PHE 19 HB2 PHE 19 8.733 7.045 -0.097 164 2HB PHE 19 HB1 PHE 19 9.038 5.391 -0.611 165 HD1 PHE 19 HD1 PHE 19 7.287 4.135 -1.828 166 HD2 PHE 19 HD2 PHE 19 6.859 8.260 -0.881 167 HE1 PHE 19 HE1 PHE 19 5.495 4.330 -3.502 168 HE2 PHE 19 HE2 PHE 19 5.065 8.462 -2.554 169 HZ PHE 19 HZ PHE 19 4.380 6.496 -3.866 170 H ILE 20 HN ILE 20 5.962 6.661 2.466 171 HA ILE 20 HA ILE 20 3.889 4.900 1.341 172 HB ILE 20 HB ILE 20 2.912 6.047 3.734 173 1HG1 ILE 20 2HG1 ILE 20 5.494 4.580 4.266 174 2HG1 ILE 20 1HG1 ILE 20 5.392 6.338 4.245 175 1HG2 ILE 20 1HG2 ILE 20 2.011 4.021 3.202 176 2HG2 ILE 20 2HG2 ILE 20 3.176 3.522 4.429 177 3HG2 ILE 20 3HG2 ILE 20 3.562 3.334 2.718 178 1HD1 ILE 20 1HD1 ILE 20 4.949 4.648 6.402 179 2HD1 ILE 20 2HD1 ILE 20 3.349 5.218 5.927 180 3HD1 ILE 20 3HD1 ILE 20 4.619 6.379 6.313 181 H THR 21 HN THR 21 2.178 5.849 0.394 182 HA THR 21 HA THR 21 2.277 8.633 -0.173 183 HB THR 21 HB THR 21 0.335 8.272 -1.517 184 HG1 THR 21 HG1 THR 21 0.018 5.770 -0.225 185 1HG2 THR 21 1HG2 THR 21 1.930 7.290 -2.791 186 2HG2 THR 21 2HG2 THR 21 0.883 5.897 -2.522 187 3HG2 THR 21 3HG2 THR 21 2.345 6.100 -1.558 188 H ARG 22 HN ARG 22 1.674 10.199 1.146 189 HA ARG 22 HA ARG 22 -0.538 9.690 3.022 190 1HB ARG 22 HB2 ARG 22 0.559 11.732 4.236 191 2HB ARG 22 HB1 ARG 22 1.235 10.124 4.438 192 1HG ARG 22 HG2 ARG 22 2.873 10.675 2.632 193 2HG ARG 22 HG1 ARG 22 2.264 12.331 2.673 194 1HD ARG 22 HD2 ARG 22 2.870 12.484 5.044 195 2HD ARG 22 HD1 ARG 22 3.490 10.834 4.989 196 HE ARG 22 HE ARG 22 5.380 11.604 3.936 197 1HH1 ARG 22 1HH1 ARG 22 2.962 14.122 3.941 198 2HH1 ARG 22 2HH1 ARG 22 4.055 15.343 3.383 199 1HH2 ARG 22 1HH2 ARG 22 6.817 13.210 3.205 200 2HH2 ARG 22 2HH2 ARG 22 6.243 14.826 2.965 201 H ARG 23 HN ARG 23 -1.605 11.831 3.721 202 HA ARG 23 HA ARG 23 -2.745 12.992 1.381 203 1HB ARG 23 HB2 ARG 23 -3.055 13.458 4.326 204 2HB ARG 23 HB1 ARG 23 -3.789 14.567 3.177 205 1HG ARG 23 HG2 ARG 23 -4.377 11.834 2.477 206 2HG ARG 23 HG1 ARG 23 -4.850 12.177 4.142 207 1HD ARG 23 HD2 ARG 23 -6.701 13.100 3.317 208 2HD ARG 23 HD1 ARG 23 -5.686 14.408 2.712 209 HE ARG 23 HE ARG 23 -6.924 12.315 1.176 210 1HH1 ARG 23 1HH1 ARG 23 -4.334 14.653 1.267 211 2HH1 ARG 23 2HH1 ARG 23 -4.161 14.713 -0.454 212 1HH2 ARG 23 1HH2 ARG 23 -6.698 12.394 -1.088 213 2HH2 ARG 23 2HH2 ARG 23 -5.503 13.432 -1.791 214 H ALA 24 HN ALA 24 -0.342 13.586 0.773 215 HA ALA 24 HA ALA 24 1.284 15.150 0.451 216 1HB ALA 24 HB1 ALA 24 0.146 17.525 0.191 217 2HB ALA 24 HB2 ALA 24 -1.324 16.550 0.236 218 3HB ALA 24 HB3 ALA 24 -0.097 16.241 -0.994 219 H ALA 25 HN ALA 25 -0.625 17.546 2.162 220 HA ALA 25 HA ALA 25 0.512 17.307 4.709 221 1HB ALA 25 HB1 ALA 25 2.635 17.881 4.137 222 2HB ALA 25 HB2 ALA 25 1.973 19.504 4.337 223 3HB ALA 25 HB3 ALA 25 2.124 18.806 2.725 224 H ASP 26 HN ASP 26 -1.984 17.982 3.448 225 HA ASP 26 HA ASP 26 -2.969 19.923 5.136 226 1HB ASP 26 HB2 ASP 26 -3.335 21.804 3.434 227 2HB ASP 26 HB1 ASP 26 -1.722 21.654 4.124 228 H ALA 27 HN ALA 27 -4.694 18.508 5.182 229 HA ALA 27 HA ALA 27 -6.705 18.919 3.179 230 1HB ALA 27 HB1 ALA 27 -5.265 16.296 3.332 231 2HB ALA 27 HB2 ALA 27 -5.693 17.250 1.912 232 3HB ALA 27 HB3 ALA 27 -6.944 16.382 2.801 233 H HIS 28 HN HIS 28 -8.677 17.482 3.685 234 HA HIS 28 HA HIS 28 -9.468 17.960 6.330 235 1HB HIS 28 HB2 HIS 28 -10.678 16.016 4.352 236 2HB HIS 28 HB1 HIS 28 -11.471 16.660 5.785 237 HD1 HIS 28 HD1 HIS 28 -12.278 19.125 5.687 238 HD2 HIS 28 HD2 HIS 28 -10.598 17.731 2.151 239 HE1 HIS 28 HE1 HIS 28 -12.893 20.822 3.935 240 HE2 HIS 28 HE2 HIS 28 -11.792 20.001 1.823 241 H MET 29 HN MET 29 -9.208 14.741 4.818 242 HA MET 29 HA MET 29 -8.695 13.590 7.449 243 1HB MET 29 HB2 MET 29 -9.640 12.552 4.829 244 2HB MET 29 HB1 MET 29 -8.752 11.438 5.859 245 1HG MET 29 HG2 MET 29 -10.394 12.181 7.700 246 2HG MET 29 HG1 MET 29 -11.370 12.789 6.363 247 1HE MET 29 HE1 MET 29 -13.052 11.857 5.728 248 2HE MET 29 HE2 MET 29 -13.646 10.263 6.195 249 3HE MET 29 HE3 MET 29 -12.881 10.493 4.622 250 H ALA 30 HN ALA 30 -6.547 14.763 7.340 251 HA ALA 30 HA ALA 30 -4.526 13.784 5.583 252 1HB ALA 30 HB1 ALA 30 -3.891 15.833 6.293 253 2HB ALA 30 HB2 ALA 30 -3.087 14.892 7.550 254 3HB ALA 30 HB3 ALA 30 -4.651 15.643 7.873 255 H ASN 31 HN ASN 31 -6.009 12.395 8.255 256 HA ASN 31 HA ASN 31 -3.646 10.944 9.140 257 1HB ASN 31 HB2 ASN 31 -6.189 11.653 10.301 258 2HB ASN 31 HB1 ASN 31 -5.928 9.917 10.435 259 1HD2 ASN 31 1HD2 ASN 31 -5.865 10.381 12.731 260 2HD2 ASN 31 2HD2 ASN 31 -4.380 10.900 13.445 261 H LYS 32 HN LYS 32 -4.676 10.497 6.437 262 HA LYS 32 HA LYS 32 -5.465 7.681 6.694 263 1HB LYS 32 HB2 LYS 32 -6.832 7.834 4.858 264 2HB LYS 32 HB1 LYS 32 -6.970 9.477 5.467 265 1HG LYS 32 HG2 LYS 32 -4.941 9.908 3.865 266 2HG LYS 32 HG1 LYS 32 -5.542 8.453 3.067 267 1HD LYS 32 HD2 LYS 32 -7.340 10.771 3.728 268 2HD LYS 32 HD1 LYS 32 -6.421 10.700 2.224 269 1HE LYS 32 HE2 LYS 32 -8.303 8.534 3.142 270 2HE LYS 32 HE1 LYS 32 -8.778 9.853 2.073 271 1HZ LYS 32 HZ1 LYS 32 -6.919 9.095 0.585 272 2HZ LYS 32 HZ2 LYS 32 -8.237 8.042 0.697 273 3HZ LYS 32 HZ3 LYS 32 -6.811 7.703 1.541 274 H LEU 33 HN LEU 33 -2.785 8.857 6.729 275 HA LEU 33 HA LEU 33 -1.301 8.614 4.440 276 1HB LEU 33 HB2 LEU 33 -0.447 9.290 6.657 277 2HB LEU 33 HB1 LEU 33 -0.528 7.628 7.182 278 HG LEU 33 HG LEU 33 1.635 8.977 5.987 279 1HD1 LEU 33 1HD1 LEU 33 1.574 6.017 6.311 280 2HD1 LEU 33 2HD1 LEU 33 1.406 7.055 7.726 281 3HD1 LEU 33 3HD1 LEU 33 2.846 7.170 6.714 282 1HD2 LEU 33 1HD2 LEU 33 2.169 7.840 4.019 283 2HD2 LEU 33 2HD2 LEU 33 0.470 8.258 3.821 284 3HD2 LEU 33 3HD2 LEU 33 0.925 6.617 4.276 285 H GLU 34 HN GLU 34 -1.866 7.031 2.989 286 HA GLU 34 HA GLU 34 -1.797 4.252 3.936 287 1HB GLU 34 HB2 GLU 34 -3.633 5.612 2.326 288 2HB GLU 34 HB1 GLU 34 -2.748 4.572 1.219 289 1HG GLU 34 HG2 GLU 34 -3.468 2.638 2.248 290 2HG GLU 34 HG1 GLU 34 -3.828 3.458 3.766 291 H PHE 35 HN PHE 35 -1.411 2.868 1.664 292 HA PHE 35 HA PHE 35 1.294 3.659 0.816 293 1HB PHE 35 HB2 PHE 35 0.627 0.790 0.696 294 2HB PHE 35 HB1 PHE 35 2.110 1.581 1.205 295 HD1 PHE 35 HD1 PHE 35 2.696 1.518 3.423 296 HD2 PHE 35 HD2 PHE 35 -1.396 1.032 2.361 297 HE1 PHE 35 HE1 PHE 35 2.145 1.057 5.776 298 HE2 PHE 35 HE2 PHE 35 -1.955 0.571 4.712 299 HZ PHE 35 HZ PHE 35 -0.184 0.583 6.424 300 HA PRO 36 HA PRO 36 0.126 3.147 -3.405 301 1HB PRO 36 HB2 PRO 36 2.312 2.113 -4.558 302 2HB PRO 36 HB1 PRO 36 2.312 3.730 -3.844 303 1HG PRO 36 HG2 PRO 36 3.358 1.164 -2.722 304 2HG PRO 36 HG1 PRO 36 4.078 2.783 -2.675 305 1HD PRO 36 HD2 PRO 36 2.686 1.654 -0.596 306 2HD PRO 36 HD1 PRO 36 2.854 3.402 -0.846 307 H GLY 37 HN GLY 37 -0.131 1.704 -5.246 308 1HA GLY 37 HA2 GLY 37 -0.225 -0.469 -6.211 309 2HA GLY 37 HA1 GLY 37 -0.231 -1.155 -4.608 310 H GLY 38 HN GLY 38 -2.395 1.244 -4.353 311 1HA GLY 38 HA2 GLY 38 -4.647 -0.398 -4.246 312 2HA GLY 38 HA1 GLY 38 -4.672 1.358 -4.300 313 H LYS 39 HN LYS 39 -6.608 -0.314 -5.501 314 HA LYS 39 HA LYS 39 -7.894 -0.126 -7.369 315 1HB LYS 39 HB2 LYS 39 -6.729 1.969 -7.964 316 2HB LYS 39 HB1 LYS 39 -5.486 1.026 -8.774 317 1HG LYS 39 HG2 LYS 39 -6.696 0.865 -10.614 318 2HG LYS 39 HG1 LYS 39 -8.089 0.263 -9.717 319 1HD LYS 39 HD2 LYS 39 -7.942 2.993 -9.117 320 2HD LYS 39 HD1 LYS 39 -7.629 2.876 -10.850 321 1HE LYS 39 HE2 LYS 39 -9.840 2.766 -11.109 322 2HE LYS 39 HE1 LYS 39 -9.738 1.136 -10.445 323 1HZ LYS 39 HZ1 LYS 39 -11.349 2.810 -9.383 324 2HZ LYS 39 HZ2 LYS 39 -9.972 3.465 -8.653 325 3HZ LYS 39 HZ3 LYS 39 -10.395 1.854 -8.364 326 H ILE 40 HN ILE 40 -5.485 -2.137 -6.752 327 HA ILE 40 HA ILE 40 -4.844 -3.444 -9.108 328 HB ILE 40 HB ILE 40 -4.222 -5.323 -7.858 329 1HG1 ILE 40 2HG1 ILE 40 -5.559 -4.563 -5.323 330 2HG1 ILE 40 1HG1 ILE 40 -6.624 -5.143 -6.596 331 1HG2 ILE 40 1HG2 ILE 40 -3.939 -3.263 -5.726 332 2HG2 ILE 40 2HG2 ILE 40 -3.242 -2.951 -7.316 333 3HG2 ILE 40 3HG2 ILE 40 -2.739 -4.369 -6.401 334 1HD1 ILE 40 1HD1 ILE 40 -4.203 -6.738 -6.018 335 2HD1 ILE 40 2HD1 ILE 40 -5.816 -7.252 -6.512 336 3HD1 ILE 40 3HD1 ILE 40 -5.518 -6.769 -4.843 337 H GLU 41 HN GLU 41 -7.730 -3.352 -7.306 338 HA GLU 41 HA GLU 41 -9.157 -5.566 -7.903 339 1HB GLU 41 HB2 GLU 41 -11.151 -3.892 -8.121 340 2HB GLU 41 HB1 GLU 41 -10.298 -4.045 -6.595 341 1HG GLU 41 HG2 GLU 41 -9.924 -1.868 -6.615 342 2HG GLU 41 HG1 GLU 41 -8.949 -2.048 -8.060 343 H MET 42 HN MET 42 -9.417 -2.635 -9.889 344 HA MET 42 HA MET 42 -10.527 -2.595 -12.004 345 1HB MET 42 HB2 MET 42 -7.649 -3.449 -12.273 346 2HB MET 42 HB1 MET 42 -8.618 -2.901 -13.636 347 1HG MET 42 HG2 MET 42 -8.549 -1.141 -11.267 348 2HG MET 42 HG1 MET 42 -7.059 -1.286 -12.195 349 1HE MET 42 HE1 MET 42 -11.152 -0.227 -13.601 350 2HE MET 42 HE2 MET 42 -10.571 1.067 -12.552 351 3HE MET 42 HE3 MET 42 -10.601 -0.596 -11.967 352 H GLY 43 HN GLY 43 -8.307 -5.273 -12.644 353 1HA GLY 43 HA2 GLY 43 -10.249 -7.317 -12.784 354 2HA GLY 43 HA1 GLY 43 -10.036 -6.607 -14.369 355 H GLU 44 HN GLU 44 -7.510 -6.908 -12.011 356 HA GLU 44 HA GLU 44 -5.944 -8.460 -13.908 357 1HB GLU 44 HB2 GLU 44 -5.378 -6.785 -11.548 358 2HB GLU 44 HB1 GLU 44 -4.320 -8.176 -11.745 359 1HG GLU 44 HG2 GLU 44 -3.456 -6.106 -12.781 360 2HG GLU 44 HG1 GLU 44 -3.647 -7.440 -13.917 361 H THR 45 HN THR 45 -4.318 -10.002 -12.437 362 HA THR 45 HA THR 45 -6.149 -12.034 -11.379 363 HB THR 45 HB THR 45 -3.411 -12.921 -11.672 364 HG1 THR 45 HG1 THR 45 -4.609 -11.915 -14.033 365 1HG2 THR 45 1HG2 THR 45 -4.734 -14.706 -11.912 366 2HG2 THR 45 2HG2 THR 45 -4.757 -14.220 -13.608 367 3HG2 THR 45 3HG2 THR 45 -6.082 -13.758 -12.540 368 HA PRO 46 HA PRO 46 -5.025 -11.799 -7.130 369 1HB PRO 46 HB2 PRO 46 -3.878 -14.388 -6.861 370 2HB PRO 46 HB1 PRO 46 -5.526 -13.900 -6.472 371 1HG PRO 46 HG2 PRO 46 -4.472 -15.213 -8.916 372 2HG PRO 46 HG1 PRO 46 -6.065 -15.363 -8.153 373 1HD PRO 46 HD2 PRO 46 -5.755 -13.966 -10.400 374 2HD PRO 46 HD1 PRO 46 -6.851 -13.397 -9.126 375 H GLU 47 HN GLU 47 -2.655 -12.889 -9.469 376 HA GLU 47 HA GLU 47 -0.480 -12.108 -7.662 377 1HB GLU 47 HB2 GLU 47 -0.714 -13.996 -9.932 378 2HB GLU 47 HB1 GLU 47 0.815 -13.140 -9.787 379 1HG GLU 47 HG2 GLU 47 1.401 -14.782 -8.407 380 2HG GLU 47 HG1 GLU 47 0.378 -13.970 -7.222 381 H GLN 48 HN GLN 48 -1.761 -11.513 -10.917 382 HA GLN 48 HA GLN 48 0.228 -9.514 -11.496 383 1HB GLN 48 HB2 GLN 48 -2.298 -10.318 -12.943 384 2HB GLN 48 HB1 GLN 48 -1.151 -9.129 -13.545 385 1HG GLN 48 HG2 GLN 48 0.085 -11.666 -12.817 386 2HG GLN 48 HG1 GLN 48 -1.120 -11.806 -14.096 387 1HE2 GLN 48 1HE2 GLN 48 -0.878 -10.341 -15.939 388 2HE2 GLN 48 2HE2 GLN 48 0.715 -9.907 -16.448 389 H ALA 49 HN ALA 49 -2.477 -9.474 -9.566 390 HA ALA 49 HA ALA 49 -3.727 -7.057 -10.225 391 1HB ALA 49 HB1 ALA 49 -4.406 -8.899 -8.526 392 2HB ALA 49 HB2 ALA 49 -4.845 -7.223 -8.213 393 3HB ALA 49 HB3 ALA 49 -3.465 -7.942 -7.383 394 H VAL 50 HN VAL 50 -1.226 -7.686 -7.767 395 HA VAL 50 HA VAL 50 -0.806 -4.876 -7.335 396 HB VAL 50 HB VAL 50 0.744 -5.447 -5.677 397 1HG1 VAL 50 1HG1 VAL 50 -0.634 -7.950 -5.215 398 2HG1 VAL 50 2HG1 VAL 50 -1.739 -6.671 -5.718 399 3HG1 VAL 50 3HG1 VAL 50 -0.701 -6.438 -4.312 400 1HG2 VAL 50 1HG2 VAL 50 2.233 -6.839 -6.967 401 2HG2 VAL 50 2HG2 VAL 50 1.036 -8.132 -7.019 402 3HG2 VAL 50 3HG2 VAL 50 1.785 -7.686 -5.484 403 H VAL 51 HN VAL 51 1.029 -7.499 -8.867 404 HA VAL 51 HA VAL 51 3.329 -6.101 -9.521 405 HB VAL 51 HB VAL 51 2.048 -8.237 -11.229 406 1HG1 VAL 51 1HG1 VAL 51 4.961 -8.142 -10.936 407 2HG1 VAL 51 2HG1 VAL 51 4.265 -6.746 -11.759 408 3HG1 VAL 51 3HG1 VAL 51 3.969 -8.372 -12.376 409 1HG2 VAL 51 1HG2 VAL 51 2.726 -8.463 -8.556 410 2HG2 VAL 51 2HG2 VAL 51 4.128 -9.116 -9.402 411 3HG2 VAL 51 3HG2 VAL 51 2.525 -9.789 -9.701 412 H ARG 52 HN ARG 52 0.271 -6.318 -11.289 413 HA ARG 52 HA ARG 52 1.276 -4.752 -13.464 414 1HB ARG 52 HB2 ARG 52 -0.670 -6.504 -13.452 415 2HB ARG 52 HB1 ARG 52 -1.651 -5.133 -12.956 416 1HG ARG 52 HG2 ARG 52 0.024 -5.250 -15.455 417 2HG ARG 52 HG1 ARG 52 -1.715 -5.536 -15.379 418 1HD ARG 52 HD2 ARG 52 -0.236 -2.982 -14.786 419 2HD ARG 52 HD1 ARG 52 -1.386 -3.284 -16.085 420 HE ARG 52 HE ARG 52 -1.988 -2.655 -13.337 421 1HH1 ARG 52 1HH1 ARG 52 -3.189 -4.048 -16.304 422 2HH1 ARG 52 2HH1 ARG 52 -4.852 -3.794 -15.896 423 1HH2 ARG 52 1HH2 ARG 52 -4.175 -2.320 -12.800 424 2HH2 ARG 52 2HH2 ARG 52 -5.412 -2.813 -13.907 425 H GLU 53 HN GLU 53 -0.993 -4.194 -10.805 426 HA GLU 53 HA GLU 53 -1.500 -1.485 -11.370 427 1HB GLU 53 HB2 GLU 53 -2.695 -3.168 -9.757 428 2HB GLU 53 HB1 GLU 53 -1.544 -2.564 -8.573 429 1HG GLU 53 HG2 GLU 53 -3.714 -1.420 -8.486 430 2HG GLU 53 HG1 GLU 53 -2.375 -0.331 -8.833 431 H LEU 54 HN LEU 54 1.214 -3.088 -10.012 432 HA LEU 54 HA LEU 54 2.276 -1.099 -8.354 433 1HB LEU 54 HB2 LEU 54 3.074 -3.607 -9.269 434 2HB LEU 54 HB1 LEU 54 4.307 -2.520 -9.870 435 HG LEU 54 HG LEU 54 4.557 -1.656 -7.519 436 1HD1 LEU 54 1HD1 LEU 54 2.235 -2.927 -7.011 437 2HD1 LEU 54 2HD1 LEU 54 3.418 -2.502 -5.775 438 3HD1 LEU 54 3HD1 LEU 54 3.391 -4.133 -6.446 439 1HD2 LEU 54 1HD2 LEU 54 5.243 -4.450 -7.189 440 2HD2 LEU 54 2HD2 LEU 54 6.287 -3.038 -7.357 441 3HD2 LEU 54 3HD2 LEU 54 5.661 -3.845 -8.793 442 H GLN 55 HN GLN 55 2.654 -1.687 -11.823 443 HA GLN 55 HA GLN 55 4.480 0.394 -12.327 444 1HB GLN 55 HB2 GLN 55 2.958 -1.497 -13.862 445 2HB GLN 55 HB1 GLN 55 2.807 0.092 -14.600 446 1HG GLN 55 HG2 GLN 55 5.454 0.041 -14.162 447 2HG GLN 55 HG1 GLN 55 5.146 -1.682 -14.372 448 1HE2 GLN 55 1HE2 GLN 55 5.537 1.317 -15.902 449 2HE2 GLN 55 2HE2 GLN 55 5.199 0.810 -17.519 450 H GLU 56 HN GLU 56 1.026 0.307 -11.909 451 HA GLU 56 HA GLU 56 0.545 2.943 -12.942 452 1HB GLU 56 HB2 GLU 56 -1.069 0.864 -12.588 453 2HB GLU 56 HB1 GLU 56 -1.345 1.647 -11.044 454 1HG GLU 56 HG2 GLU 56 -1.526 3.303 -13.497 455 2HG GLU 56 HG1 GLU 56 -2.831 2.168 -13.156 456 H GLU 57 HN GLU 57 1.248 1.546 -9.799 457 HA GLU 57 HA GLU 57 0.892 4.196 -8.591 458 1HB GLU 57 HB2 GLU 57 0.632 1.429 -7.532 459 2HB GLU 57 HB1 GLU 57 1.110 2.709 -6.424 460 1HG GLU 57 HG2 GLU 57 -1.337 2.258 -6.497 461 2HG GLU 57 HG1 GLU 57 -0.888 3.926 -6.838 462 H VAL 58 HN VAL 58 3.323 2.618 -9.944 463 HA VAL 58 HA VAL 58 5.281 3.722 -8.057 464 HB VAL 58 HB VAL 58 5.620 1.070 -9.475 465 1HG1 VAL 58 1HG1 VAL 58 7.431 2.853 -8.019 466 2HG1 VAL 58 2HG1 VAL 58 7.785 1.573 -9.182 467 3HG1 VAL 58 3HG1 VAL 58 7.484 1.170 -7.492 468 1HG2 VAL 58 1HG2 VAL 58 5.749 0.517 -6.821 469 2HG2 VAL 58 2HG2 VAL 58 4.314 0.300 -7.823 470 3HG2 VAL 58 3HG2 VAL 58 4.503 1.763 -6.857 471 H GLY 59 HN GLY 59 4.639 2.482 -11.300 472 1HA GLY 59 HA2 GLY 59 5.261 3.256 -13.347 473 2HA GLY 59 HA1 GLY 59 5.743 4.739 -12.572 474 H ILE 60 HN ILE 60 7.730 3.646 -10.916 475 HA ILE 60 HA ILE 60 9.877 3.491 -12.786 476 HB ILE 60 HB ILE 60 11.075 2.918 -10.428 477 1HG1 ILE 60 2HG1 ILE 60 9.143 4.965 -9.498 478 2HG1 ILE 60 1HG1 ILE 60 8.654 3.277 -9.438 479 1HG2 ILE 60 1HG2 ILE 60 11.176 4.901 -12.218 480 2HG2 ILE 60 2HG2 ILE 60 12.060 4.927 -10.691 481 3HG2 ILE 60 3HG2 ILE 60 10.522 5.778 -10.834 482 1HD1 ILE 60 1HD1 ILE 60 9.565 3.719 -7.337 483 2HD1 ILE 60 2HD1 ILE 60 10.933 4.595 -8.023 484 3HD1 ILE 60 3HD1 ILE 60 10.825 2.845 -8.206 485 H THR 61 HN THR 61 11.712 1.826 -11.905 486 HA THR 61 HA THR 61 10.484 -0.827 -12.134 487 HB THR 61 HB THR 61 12.979 -1.251 -12.880 488 HG1 THR 61 HG1 THR 61 13.765 0.590 -13.994 489 1HG2 THR 61 1HG2 THR 61 11.026 -1.555 -14.346 490 2HG2 THR 61 2HG2 THR 61 12.405 -0.853 -15.195 491 3HG2 THR 61 3HG2 THR 61 11.056 0.174 -14.697 492 HA PRO 62 HA PRO 62 12.706 -1.085 -8.152 493 1HB PRO 62 HB2 PRO 62 10.679 -1.232 -6.516 494 2HB PRO 62 HB1 PRO 62 10.883 0.252 -7.457 495 1HG PRO 62 HG2 PRO 62 8.959 -1.995 -7.868 496 2HG PRO 62 HG1 PRO 62 8.718 -0.254 -8.103 497 1HD PRO 62 HD2 PRO 62 9.464 -2.192 -10.073 498 2HD PRO 62 HD1 PRO 62 9.327 -0.437 -10.270 499 H GLN 63 HN GLN 63 13.412 -2.918 -7.070 500 HA GLN 63 HA GLN 63 12.325 -5.478 -7.859 501 1HB GLN 63 HB2 GLN 63 14.218 -5.034 -5.552 502 2HB GLN 63 HB1 GLN 63 14.050 -6.463 -6.560 503 1HG GLN 63 HG2 GLN 63 15.085 -5.364 -8.409 504 2HG GLN 63 HG1 GLN 63 15.092 -3.825 -7.552 505 1HE2 GLN 63 1HE2 GLN 63 17.025 -6.211 -8.526 506 2HE2 GLN 63 2HE2 GLN 63 18.241 -6.160 -7.300 507 H HIS 64 HN HIS 64 10.216 -4.981 -7.266 508 HA HIS 64 HA HIS 64 9.662 -5.008 -4.379 509 1HB HIS 64 HB2 HIS 64 9.040 -2.897 -5.232 510 2HB HIS 64 HB1 HIS 64 8.445 -3.592 -6.705 511 HD1 HIS 64 HD1 HIS 64 6.377 -5.625 -5.424 512 HD2 HIS 64 HD2 HIS 64 6.778 -1.607 -4.452 513 HE1 HIS 64 HE1 HIS 64 4.168 -4.948 -4.454 514 HE2 HIS 64 HE2 HIS 64 4.402 -2.492 -3.960 515 H PHE 65 HN PHE 65 8.338 -6.523 -3.590 516 HA PHE 65 HA PHE 65 6.260 -7.814 -4.921 517 1HB PHE 65 HB2 PHE 65 8.536 -8.649 -6.040 518 2HB PHE 65 HB1 PHE 65 8.524 -9.726 -4.659 519 HD1 PHE 65 HD1 PHE 65 8.505 -10.817 -7.332 520 HD2 PHE 65 HD2 PHE 65 5.237 -9.504 -4.940 521 HE1 PHE 65 HE1 PHE 65 7.002 -12.324 -8.564 522 HE2 PHE 65 HE2 PHE 65 3.730 -11.011 -6.170 523 HZ PHE 65 HZ PHE 65 4.611 -12.422 -7.983 524 H SER 66 HN SER 66 7.172 -10.453 -3.617 525 HA SER 66 HA SER 66 6.827 -11.579 -1.697 526 1HB SER 66 HB2 SER 66 8.807 -9.750 -1.220 527 2HB SER 66 HB1 SER 66 7.676 -9.413 0.088 528 HG SER 66 HG SER 66 9.426 -11.306 0.052 529 H LEU 67 HN LEU 67 5.542 -11.787 0.204 530 HA LEU 67 HA LEU 67 3.407 -9.771 0.395 531 1HB LEU 67 HB2 LEU 67 2.544 -11.767 -0.652 532 2HB LEU 67 HB1 LEU 67 3.223 -12.773 0.614 533 HG LEU 67 HG LEU 67 1.307 -10.702 1.503 534 1HD1 LEU 67 1HD1 LEU 67 0.055 -13.163 0.451 535 2HD1 LEU 67 2HD1 LEU 67 0.539 -11.951 -0.734 536 3HD1 LEU 67 3HD1 LEU 67 -0.578 -11.521 0.560 537 1HD2 LEU 67 1HD2 LEU 67 1.209 -12.026 3.287 538 2HD2 LEU 67 2HD2 LEU 67 2.525 -12.956 2.572 539 3HD2 LEU 67 3HD2 LEU 67 0.852 -13.446 2.303 540 H PHE 68 HN PHE 68 3.698 -8.689 2.239 541 HA PHE 68 HA PHE 68 5.001 -9.859 4.510 542 1HB PHE 68 HB2 PHE 68 5.485 -7.676 4.731 543 2HB PHE 68 HB1 PHE 68 4.189 -7.205 3.643 544 HD1 PHE 68 HD1 PHE 68 1.822 -7.091 4.632 545 HD2 PHE 68 HD2 PHE 68 5.358 -7.201 6.994 546 HE1 PHE 68 HE1 PHE 68 0.578 -6.142 6.528 547 HE2 PHE 68 HE2 PHE 68 4.122 -6.253 8.897 548 HZ PHE 68 HZ PHE 68 1.728 -5.716 8.666 549 H GLU 69 HN GLU 69 1.705 -8.877 3.706 550 HA GLU 69 HA GLU 69 0.524 -10.878 5.318 551 1HB GLU 69 HB2 GLU 69 1.340 -8.842 6.881 552 2HB GLU 69 HB1 GLU 69 -0.235 -8.224 6.404 553 1HG GLU 69 HG2 GLU 69 -0.967 -10.683 7.098 554 2HG GLU 69 HG1 GLU 69 0.465 -10.531 8.115 555 H LYS 70 HN LYS 70 -1.883 -10.682 5.324 556 HA LYS 70 HA LYS 70 -2.922 -8.829 3.318 557 1HB LYS 70 HB2 LYS 70 -2.295 -11.462 2.664 558 2HB LYS 70 HB1 LYS 70 -4.031 -11.498 2.942 559 1HG LYS 70 HG2 LYS 70 -4.368 -9.758 1.302 560 2HG LYS 70 HG1 LYS 70 -2.625 -9.600 1.074 561 1HD LYS 70 HD2 LYS 70 -3.076 -10.985 -0.674 562 2HD LYS 70 HD1 LYS 70 -2.854 -12.206 0.581 563 1HE LYS 70 HE2 LYS 70 -5.570 -11.057 0.177 564 2HE LYS 70 HE1 LYS 70 -4.967 -12.220 -1.002 565 1HZ LYS 70 HZ1 LYS 70 -5.155 -13.903 0.444 566 2HZ LYS 70 HZ2 LYS 70 -6.223 -12.882 1.268 567 3HZ LYS 70 HZ3 LYS 70 -4.610 -12.993 1.763 568 H LEU 71 HN LEU 71 -4.890 -8.070 3.830 569 HA LEU 71 HA LEU 71 -6.353 -9.415 6.001 570 1HB LEU 71 HB2 LEU 71 -5.544 -7.302 6.763 571 2HB LEU 71 HB1 LEU 71 -6.100 -6.494 5.311 572 HG LEU 71 HG LEU 71 -8.455 -7.395 6.204 573 1HD1 LEU 71 1HD1 LEU 71 -7.789 -8.485 8.166 574 2HD1 LEU 71 2HD1 LEU 71 -8.419 -6.931 8.712 575 3HD1 LEU 71 3HD1 LEU 71 -6.677 -7.191 8.611 576 1HD2 LEU 71 1HD2 LEU 71 -7.176 -4.924 7.350 577 2HD2 LEU 71 2HD2 LEU 71 -8.882 -5.195 6.990 578 3HD2 LEU 71 3HD2 LEU 71 -7.715 -5.051 5.675 579 H GLU 72 HN GLU 72 -8.211 -10.297 5.409 580 HA GLU 72 HA GLU 72 -9.626 -9.172 3.085 581 1HB GLU 72 HB2 GLU 72 -8.909 -11.279 2.371 582 2HB GLU 72 HB1 GLU 72 -9.166 -12.009 3.948 583 1HG GLU 72 HG2 GLU 72 -11.425 -12.262 3.613 584 2HG GLU 72 HG1 GLU 72 -11.499 -10.982 2.405 585 H TYR 73 HN TYR 73 -11.320 -8.058 3.788 586 HA TYR 73 HA TYR 73 -13.177 -9.354 5.637 587 1HB TYR 73 HB2 TYR 73 -13.476 -7.250 6.905 588 2HB TYR 73 HB1 TYR 73 -11.847 -7.898 7.065 589 HD1 TYR 73 HD1 TYR 73 -10.184 -6.952 5.146 590 HD2 TYR 73 HD2 TYR 73 -13.647 -4.977 6.630 591 HE1 TYR 73 HE1 TYR 73 -9.254 -4.793 4.428 592 HE2 TYR 73 HE2 TYR 73 -12.727 -2.812 5.915 593 HH TYR 73 HH TYR 73 -9.938 -2.573 3.903 594 H GLU 74 HN GLU 74 -15.348 -8.610 5.451 595 HA GLU 74 HA GLU 74 -15.844 -7.022 3.019 596 1HB GLU 74 HB2 GLU 74 -18.018 -8.385 2.891 597 2HB GLU 74 HB1 GLU 74 -16.525 -9.166 2.397 598 1HG GLU 74 HG2 GLU 74 -16.487 -9.980 4.882 599 2HG GLU 74 HG1 GLU 74 -18.213 -9.641 4.800 600 H PHE 75 HN PHE 75 -16.853 -5.207 3.354 601 HA PHE 75 HA PHE 75 -18.073 -4.593 5.886 602 1HB PHE 75 HB2 PHE 75 -17.075 -3.128 3.587 603 2HB PHE 75 HB1 PHE 75 -18.639 -2.511 4.106 604 HD1 PHE 75 HD1 PHE 75 -18.475 -0.674 5.457 605 HD2 PHE 75 HD2 PHE 75 -15.564 -3.757 5.824 606 HE1 PHE 75 HE1 PHE 75 -17.375 0.584 7.263 607 HE2 PHE 75 HE2 PHE 75 -14.460 -2.505 7.631 608 HZ PHE 75 HZ PHE 75 -15.366 -0.332 8.353 609 HA PRO 76 HA PRO 76 -22.363 -5.295 5.204 610 1HB PRO 76 HB2 PRO 76 -23.401 -2.693 5.384 611 2HB PRO 76 HB1 PRO 76 -23.176 -3.822 6.722 612 1HG PRO 76 HG2 PRO 76 -21.444 -1.570 5.830 613 2HG PRO 76 HG1 PRO 76 -21.767 -2.163 7.470 614 1HD PRO 76 HD2 PRO 76 -19.458 -2.695 6.223 615 2HD PRO 76 HD1 PRO 76 -20.229 -3.896 7.277 616 H ASP 77 HN ASP 77 -21.817 -5.804 2.978 617 HA ASP 77 HA ASP 77 -22.690 -5.819 0.839 618 1HB ASP 77 HB2 ASP 77 -24.371 -4.026 1.817 619 2HB ASP 77 HB1 ASP 77 -23.379 -2.912 0.882 620 H ARG 78 HN ARG 78 -20.065 -4.627 2.011 621 HA ARG 78 HA ARG 78 -19.045 -3.757 -0.596 622 1HB ARG 78 HB2 ARG 78 -19.411 -1.723 0.722 623 2HB ARG 78 HB1 ARG 78 -18.448 -2.388 2.034 624 1HG ARG 78 HG2 ARG 78 -16.737 -2.557 -0.099 625 2HG ARG 78 HG1 ARG 78 -17.613 -1.060 -0.421 626 1HD ARG 78 HD2 ARG 78 -17.128 -0.503 2.048 627 2HD ARG 78 HD1 ARG 78 -15.921 -1.784 1.947 628 HE ARG 78 HE ARG 78 -15.555 -0.017 -0.202 629 1HH1 ARG 78 1HH1 ARG 78 -15.211 -0.109 3.269 630 2HH1 ARG 78 2HH1 ARG 78 -13.935 1.060 3.300 631 1HH2 ARG 78 1HH2 ARG 78 -13.873 1.525 -0.163 632 2HH2 ARG 78 2HH2 ARG 78 -13.175 1.989 1.352 633 H HIS 79 HN HIS 79 -18.000 -5.709 -0.933 634 HA HIS 79 HA HIS 79 -16.345 -6.909 1.077 635 1HB HIS 79 HB2 HIS 79 -17.162 -7.532 -1.688 636 2HB HIS 79 HB1 HIS 79 -15.555 -8.099 -1.248 637 HD1 HIS 79 HD1 HIS 79 -18.951 -8.157 0.491 638 HD2 HIS 79 HD2 HIS 79 -15.723 -10.633 -0.357 639 HE1 HIS 79 HE1 HIS 79 -19.529 -10.385 1.503 640 HE2 HIS 79 HE2 HIS 79 -17.524 -11.843 1.052 641 H ILE 80 HN ILE 80 -14.707 -5.580 1.704 642 HA ILE 80 HA ILE 80 -12.978 -4.444 -0.359 643 HB ILE 80 HB ILE 80 -13.615 -2.768 1.164 644 1HG1 ILE 80 2HG1 ILE 80 -11.067 -3.459 2.520 645 2HG1 ILE 80 1HG1 ILE 80 -11.023 -3.296 0.770 646 1HG2 ILE 80 1HG2 ILE 80 -14.574 -4.030 2.928 647 2HG2 ILE 80 2HG2 ILE 80 -13.300 -3.042 3.642 648 3HG2 ILE 80 3HG2 ILE 80 -13.021 -4.757 3.341 649 1HD1 ILE 80 1HD1 ILE 80 -11.663 -1.234 2.837 650 2HD1 ILE 80 2HD1 ILE 80 -12.186 -1.041 1.164 651 3HD1 ILE 80 3HD1 ILE 80 -10.469 -1.180 1.540 652 H THR 81 HN THR 81 -11.310 -5.647 -0.941 653 HA THR 81 HA THR 81 -10.080 -7.465 1.001 654 HB THR 81 HB THR 81 -8.868 -7.804 -1.519 655 HG1 THR 81 HG1 THR 81 -11.685 -7.612 -1.752 656 1HG2 THR 81 1HG2 THR 81 -10.532 -9.835 -1.551 657 2HG2 THR 81 2HG2 THR 81 -10.797 -9.344 0.122 658 3HG2 THR 81 3HG2 THR 81 -9.176 -9.771 -0.425 659 H LEU 82 HN LEU 82 -8.293 -6.822 2.011 660 HA LEU 82 HA LEU 82 -6.647 -4.731 0.750 661 1HB LEU 82 HB2 LEU 82 -7.724 -4.175 2.917 662 2HB LEU 82 HB1 LEU 82 -6.830 -5.484 3.665 663 HG LEU 82 HG LEU 82 -4.731 -4.214 2.777 664 1HD1 LEU 82 1HD1 LEU 82 -4.956 -2.126 2.010 665 2HD1 LEU 82 2HD1 LEU 82 -6.176 -1.716 3.216 666 3HD1 LEU 82 3HD1 LEU 82 -6.644 -2.552 1.736 667 1HD2 LEU 82 1HD2 LEU 82 -4.465 -3.284 4.880 668 2HD2 LEU 82 2HD2 LEU 82 -5.669 -4.540 5.168 669 3HD2 LEU 82 3HD2 LEU 82 -6.171 -2.858 5.019 670 H TRP 83 HN TRP 83 -4.854 -5.474 -0.155 671 HA TRP 83 HA TRP 83 -3.519 -7.814 1.039 672 1HB TRP 83 HB2 TRP 83 -3.376 -6.725 -1.779 673 2HB TRP 83 HB1 TRP 83 -2.424 -8.080 -1.184 674 HD1 TRP 83 HD1 TRP 83 -6.139 -7.668 -0.343 675 HE1 TRP 83 HE1 TRP 83 -7.440 -9.612 -1.399 676 HE3 TRP 83 HE3 TRP 83 -2.356 -9.794 -3.032 677 HZ2 TRP 83 HZ2 TRP 83 -6.931 -11.773 -3.146 678 HZ3 TRP 83 HZ3 TRP 83 -2.844 -11.801 -4.371 679 HH2 TRP 83 HH2 TRP 83 -5.085 -12.769 -4.425 680 H PHE 84 HN PHE 84 -1.670 -7.488 2.058 681 HA PHE 84 HA PHE 84 -0.166 -5.024 1.476 682 1HB PHE 84 HB2 PHE 84 -0.582 -6.564 4.009 683 2HB PHE 84 HB1 PHE 84 0.895 -5.631 3.809 684 HD1 PHE 84 HD1 PHE 84 0.086 -4.389 5.861 685 HD2 PHE 84 HD2 PHE 84 -1.983 -4.272 2.138 686 HE1 PHE 84 HE1 PHE 84 -1.105 -2.368 6.583 687 HE2 PHE 84 HE2 PHE 84 -3.172 -2.249 2.861 688 HZ PHE 84 HZ PHE 84 -2.735 -1.294 5.086 689 H TRP 85 HN TRP 85 1.476 -5.419 0.144 690 HA TRP 85 HA TRP 85 2.874 -7.987 0.290 691 1HB TRP 85 HB2 TRP 85 2.887 -5.832 -1.829 692 2HB TRP 85 HB1 TRP 85 3.838 -7.313 -1.912 693 HD1 TRP 85 HD1 TRP 85 0.100 -6.307 -1.602 694 HE1 TRP 85 HE1 TRP 85 -1.299 -8.051 -2.876 695 HE3 TRP 85 HE3 TRP 85 3.848 -9.488 -3.016 696 HZ2 TRP 85 HZ2 TRP 85 -0.873 -10.453 -4.291 697 HZ3 TRP 85 HZ3 TRP 85 3.265 -11.486 -4.325 698 HH2 TRP 85 HH2 TRP 85 0.953 -11.958 -4.950 699 H LEU 86 HN LEU 86 5.155 -8.140 0.428 700 HA LEU 86 HA LEU 86 6.349 -5.850 1.806 701 1HB LEU 86 HB2 LEU 86 6.493 -7.821 3.086 702 2HB LEU 86 HB1 LEU 86 7.027 -8.773 1.718 703 HG LEU 86 HG LEU 86 9.187 -7.591 1.740 704 1HD1 LEU 86 1HD1 LEU 86 8.069 -6.223 4.182 705 2HD1 LEU 86 2HD1 LEU 86 8.467 -5.462 2.642 706 3HD1 LEU 86 3HD1 LEU 86 9.746 -6.144 3.644 707 1HD2 LEU 86 1HD2 LEU 86 8.689 -8.551 4.531 708 2HD2 LEU 86 2HD2 LEU 86 10.100 -8.793 3.502 709 3HD2 LEU 86 3HD2 LEU 86 8.605 -9.666 3.167 710 H VAL 87 HN VAL 87 7.207 -4.498 0.410 711 HA VAL 87 HA VAL 87 8.612 -5.296 -1.981 712 HB VAL 87 HB VAL 87 8.569 -2.571 -0.758 713 1HG1 VAL 87 1HG1 VAL 87 9.960 -2.290 -2.498 714 2HG1 VAL 87 2HG1 VAL 87 8.464 -2.207 -3.422 715 3HG1 VAL 87 3HG1 VAL 87 9.365 -3.716 -3.335 716 1HG2 VAL 87 1HG2 VAL 87 6.489 -3.926 -2.472 717 2HG2 VAL 87 2HG2 VAL 87 6.552 -2.178 -2.205 718 3HG2 VAL 87 3HG2 VAL 87 6.277 -3.269 -0.848 719 H GLU 88 HN GLU 88 10.826 -5.041 -2.402 720 HA GLU 88 HA GLU 88 12.383 -4.737 0.075 721 1HB GLU 88 HB2 GLU 88 12.524 -6.988 -0.758 722 2HB GLU 88 HB1 GLU 88 12.984 -6.415 -2.355 723 1HG GLU 88 HG2 GLU 88 15.080 -5.565 -1.462 724 2HG GLU 88 HG1 GLU 88 14.618 -6.099 0.153 725 H ARG 89 HN ARG 89 12.152 -3.532 -3.223 726 HA ARG 89 HA ARG 89 14.018 -1.455 -2.557 727 1HB ARG 89 HB2 ARG 89 15.722 -2.967 -3.080 728 2HB ARG 89 HB1 ARG 89 14.808 -3.695 -4.387 729 1HG ARG 89 HG2 ARG 89 16.505 -2.503 -5.440 730 2HG ARG 89 HG1 ARG 89 15.088 -1.470 -5.602 731 1HD ARG 89 HD2 ARG 89 15.951 -0.403 -3.389 732 2HD ARG 89 HD1 ARG 89 17.484 -1.148 -3.840 733 HE ARG 89 HE ARG 89 16.332 0.374 -5.970 734 1HH1 ARG 89 1HH1 ARG 89 18.228 0.596 -3.049 735 2HH1 ARG 89 2HH1 ARG 89 19.017 2.064 -3.523 736 1HH2 ARG 89 1HH2 ARG 89 17.370 2.302 -6.597 737 2HH2 ARG 89 2HH2 ARG 89 18.529 3.033 -5.537 738 H TRP 90 HN TRP 90 14.285 0.132 -4.319 739 HA TRP 90 HA TRP 90 12.551 -0.086 -6.579 740 1HB TRP 90 HB2 TRP 90 10.908 1.441 -6.064 741 2HB TRP 90 HB1 TRP 90 11.183 0.715 -4.490 742 HD1 TRP 90 HD1 TRP 90 12.375 3.851 -6.450 743 HE1 TRP 90 HE1 TRP 90 12.605 5.781 -4.764 744 HE3 TRP 90 HE3 TRP 90 11.254 1.312 -2.155 745 HZ2 TRP 90 HZ2 TRP 90 12.332 6.177 -1.987 746 HZ3 TRP 90 HZ3 TRP 90 11.252 2.546 -0.025 747 HH2 TRP 90 HH2 TRP 90 11.784 4.928 0.055 748 H GLU 91 HN GLU 91 13.511 0.812 -8.264 749 HA GLU 91 HA GLU 91 15.889 2.351 -7.927 750 1HB GLU 91 HB2 GLU 91 15.408 0.755 -9.821 751 2HB GLU 91 HB1 GLU 91 14.313 1.966 -10.473 752 1HG GLU 91 HG2 GLU 91 16.045 3.451 -10.952 753 2HG GLU 91 HG1 GLU 91 17.174 2.617 -9.885 754 H GLY 92 HN GLY 92 16.282 4.506 -8.347 755 1HA GLY 92 HA2 GLY 92 15.821 6.754 -8.349 756 2HA GLY 92 HA1 GLY 92 14.549 6.351 -9.492 757 H GLU 93 HN GLU 93 12.759 7.360 -8.868 758 HA GLU 93 HA GLU 93 11.998 7.188 -6.027 759 1HB GLU 93 HB2 GLU 93 11.705 9.444 -7.990 760 2HB GLU 93 HB1 GLU 93 10.649 9.324 -6.590 761 1HG GLU 93 HG2 GLU 93 12.882 9.126 -5.267 762 2HG GLU 93 HG1 GLU 93 13.579 9.857 -6.712 763 HA PRO 94 HA PRO 94 8.339 5.166 -7.529 764 1HB PRO 94 HB2 PRO 94 6.950 5.825 -5.073 765 2HB PRO 94 HB1 PRO 94 7.615 4.270 -5.573 766 1HG PRO 94 HG2 PRO 94 8.624 5.739 -3.511 767 2HG PRO 94 HG1 PRO 94 9.595 4.618 -4.480 768 1HD PRO 94 HD2 PRO 94 9.377 7.600 -4.678 769 2HD PRO 94 HD1 PRO 94 10.818 6.566 -4.787 770 H TRP 95 HN TRP 95 6.778 5.930 -8.853 771 HA TRP 95 HA TRP 95 5.455 8.416 -8.048 772 1HB TRP 95 HB2 TRP 95 5.422 9.057 -10.506 773 2HB TRP 95 HB1 TRP 95 6.960 9.197 -9.673 774 HD1 TRP 95 HD1 TRP 95 8.885 7.462 -10.374 775 HE1 TRP 95 HE1 TRP 95 9.277 6.134 -12.551 776 HE3 TRP 95 HE3 TRP 95 4.168 7.695 -12.305 777 HZ2 TRP 95 HZ2 TRP 95 7.777 5.323 -14.796 778 HZ3 TRP 95 HZ3 TRP 95 3.728 6.628 -14.477 779 HH2 TRP 95 HH2 TRP 95 5.493 5.456 -15.689 780 H GLY 96 HN GLY 96 5.245 6.017 -10.670 781 1HA GLY 96 HA2 GLY 96 3.383 5.073 -11.664 782 2HA GLY 96 HA1 GLY 96 2.869 4.817 -10.008 783 H LYS 97 HN LYS 97 1.224 6.004 -9.169 784 HA LYS 97 HA LYS 97 0.298 8.477 -9.772 785 1HB LYS 97 HB2 LYS 97 -0.206 6.696 -11.993 786 2HB LYS 97 HB1 LYS 97 -1.723 7.285 -11.329 787 1HG LYS 97 HG2 LYS 97 -0.785 9.607 -11.508 788 2HG LYS 97 HG1 LYS 97 0.563 8.909 -12.409 789 1HD LYS 97 HD2 LYS 97 -0.739 9.325 -14.199 790 2HD LYS 97 HD1 LYS 97 -1.541 7.826 -13.725 791 1HE LYS 97 HE2 LYS 97 -3.307 9.314 -13.989 792 2HE LYS 97 HE1 LYS 97 -3.016 9.334 -12.250 793 1HZ LYS 97 HZ1 LYS 97 -2.296 11.453 -12.306 794 2HZ LYS 97 HZ2 LYS 97 -3.220 11.532 -13.719 795 3HZ LYS 97 HZ3 LYS 97 -1.549 11.295 -13.817 796 H GLU 98 HN GLU 98 0.312 6.761 -7.587 797 HA GLU 98 HA GLU 98 -2.101 5.452 -7.039 798 1HB GLU 98 HB2 GLU 98 -1.386 5.308 -4.824 799 2HB GLU 98 HB1 GLU 98 0.115 5.419 -5.728 800 1HG GLU 98 HG2 GLU 98 0.691 7.036 -4.331 801 2HG GLU 98 HG1 GLU 98 -0.486 8.049 -5.160 802 H GLY 99 HN GLY 99 -1.245 8.852 -6.868 803 1HA GLY 99 HA2 GLY 99 -3.318 10.252 -7.260 804 2HA GLY 99 HA1 GLY 99 -3.959 9.423 -5.853 805 H GLN 100 HN GLN 100 -1.551 9.483 -4.290 806 HA GLN 100 HA GLN 100 -1.203 12.379 -3.874 807 1HB GLN 100 HB2 GLN 100 -1.663 10.305 -1.725 808 2HB GLN 100 HB1 GLN 100 -1.294 12.000 -1.441 809 1HG GLN 100 HG2 GLN 100 -3.398 12.644 -1.805 810 2HG GLN 100 HG1 GLN 100 -3.587 11.576 -3.194 811 1HE2 GLN 100 1HE2 GLN 100 -5.425 10.532 -2.798 812 2HE2 GLN 100 2HE2 GLN 100 -5.772 9.628 -1.366 813 HA PRO 101 HA PRO 101 3.097 11.142 -4.520 814 1HB PRO 101 HB2 PRO 101 3.176 13.908 -3.367 815 2HB PRO 101 HB1 PRO 101 4.147 13.221 -4.678 816 1HG PRO 101 HG2 PRO 101 2.107 14.788 -5.252 817 2HG PRO 101 HG1 PRO 101 2.367 13.306 -6.192 818 1HD PRO 101 HD2 PRO 101 0.335 13.888 -4.095 819 2HD PRO 101 HD1 PRO 101 0.211 12.857 -5.536 820 H GLY 102 HN GLY 102 4.712 10.463 -3.141 821 1HA GLY 102 HA2 GLY 102 4.335 11.005 -0.264 822 2HA GLY 102 HA1 GLY 102 4.616 9.372 -0.845 823 H GLU 103 HN GLU 103 6.319 10.065 0.984 824 HA GLU 103 HA GLU 103 8.792 10.684 -0.487 825 1HB GLU 103 HB2 GLU 103 7.769 11.902 2.042 826 2HB GLU 103 HB1 GLU 103 9.502 11.663 1.866 827 1HG GLU 103 HG2 GLU 103 9.709 13.280 0.309 828 2HG GLU 103 HG1 GLU 103 8.128 12.952 -0.401 829 H TRP 104 HN TRP 104 10.740 9.764 0.489 830 HA TRP 104 HA TRP 104 10.238 7.109 1.465 831 1HB TRP 104 HB2 TRP 104 13.017 8.122 1.604 832 2HB TRP 104 HB1 TRP 104 12.400 6.636 0.897 833 HD1 TRP 104 HD1 TRP 104 10.460 7.967 -1.289 834 HE1 TRP 104 HE1 TRP 104 11.503 9.128 -3.336 835 HE3 TRP 104 HE3 TRP 104 15.135 8.860 0.579 836 HZ2 TRP 104 HZ2 TRP 104 13.981 10.270 -4.062 837 HZ3 TRP 104 HZ3 TRP 104 16.783 9.992 -0.856 838 HH2 TRP 104 HH2 TRP 104 16.215 10.681 -3.129 839 H MET 105 HN MET 105 9.582 6.873 3.503 840 HA MET 105 HA MET 105 11.074 8.293 5.609 841 1HB MET 105 HB2 MET 105 8.902 7.903 6.966 842 2HB MET 105 HB1 MET 105 8.945 9.209 5.791 843 1HG MET 105 HG2 MET 105 7.868 7.629 4.159 844 2HG MET 105 HG1 MET 105 7.634 6.522 5.511 845 1HE MET 105 HE1 MET 105 5.477 8.861 7.897 846 2HE MET 105 HE2 MET 105 7.189 8.442 7.849 847 3HE MET 105 HE3 MET 105 5.968 7.180 7.686 848 H SER 106 HN SER 106 11.165 7.150 7.702 849 HA SER 106 HA SER 106 11.921 4.410 7.294 850 1HB SER 106 HB2 SER 106 12.825 4.484 9.463 851 2HB SER 106 HB1 SER 106 13.014 6.138 8.879 852 HG SER 106 HG SER 106 11.426 6.803 10.188 853 H LEU 107 HN LEU 107 10.506 2.799 7.257 854 HA LEU 107 HA LEU 107 7.869 3.065 8.359 855 1HB LEU 107 HB2 LEU 107 8.703 1.726 6.269 856 2HB LEU 107 HB1 LEU 107 8.998 0.455 7.440 857 HG LEU 107 HG LEU 107 6.485 0.987 8.116 858 1HD1 LEU 107 1HD1 LEU 107 6.122 2.809 6.608 859 2HD1 LEU 107 2HD1 LEU 107 5.173 1.431 6.050 860 3HD1 LEU 107 3HD1 LEU 107 6.682 1.853 5.237 861 1HD2 LEU 107 1HD2 LEU 107 5.810 -0.877 6.784 862 2HD2 LEU 107 2HD2 LEU 107 7.470 -1.160 7.307 863 3HD2 LEU 107 3HD2 LEU 107 7.143 -0.626 5.658 864 H VAL 108 HN VAL 108 10.882 1.925 9.526 865 HA VAL 108 HA VAL 108 10.223 -0.090 11.282 866 HB VAL 108 HB VAL 108 12.527 0.663 10.897 867 1HG1 VAL 108 1HG1 VAL 108 12.321 2.854 12.868 868 2HG1 VAL 108 2HG1 VAL 108 11.653 3.169 11.266 869 3HG1 VAL 108 3HG1 VAL 108 13.346 2.701 11.441 870 1HG2 VAL 108 1HG2 VAL 108 13.335 0.448 13.204 871 2HG2 VAL 108 2HG2 VAL 108 12.053 -0.709 12.848 872 3HG2 VAL 108 3HG2 VAL 108 11.699 0.735 13.797 873 H GLY 109 HN GLY 109 9.405 3.273 11.465 874 1HA GLY 109 HA2 GLY 109 8.156 2.771 14.092 875 2HA GLY 109 HA1 GLY 109 8.967 4.286 13.729 876 H LEU 110 HN LEU 110 6.761 2.350 11.728 877 HA LEU 110 HA LEU 110 5.324 4.589 10.807 878 1HB LEU 110 HB2 LEU 110 5.457 2.320 9.715 879 2HB LEU 110 HB1 LEU 110 4.314 1.750 10.917 880 HG LEU 110 HG LEU 110 3.566 4.131 9.290 881 1HD1 LEU 110 1HD1 LEU 110 4.261 2.823 7.497 882 2HD1 LEU 110 2HD1 LEU 110 2.549 2.432 7.652 883 3HD1 LEU 110 3HD1 LEU 110 3.768 1.320 8.277 884 1HD2 LEU 110 1HD2 LEU 110 1.810 3.739 10.633 885 2HD2 LEU 110 2HD2 LEU 110 2.275 2.064 10.930 886 3HD2 LEU 110 3HD2 LEU 110 1.415 2.494 9.449 887 H ASN 111 HN ASN 111 3.196 5.303 11.304 888 HA ASN 111 HA ASN 111 2.330 4.568 14.013 889 1HB ASN 111 HB2 ASN 111 3.003 7.113 12.911 890 2HB ASN 111 HB1 ASN 111 1.295 7.116 13.336 891 1HD2 ASN 111 1HD2 ASN 111 4.329 7.696 14.457 892 2HD2 ASN 111 2HD2 ASN 111 4.039 7.569 16.155 893 H ALA 112 HN ALA 112 0.354 3.866 14.325 894 HA ALA 112 HA ALA 112 -1.385 3.395 12.117 895 1HB ALA 112 HB1 ALA 112 -1.952 3.066 15.064 896 2HB ALA 112 HB2 ALA 112 -1.215 1.846 14.025 897 3HB ALA 112 HB3 ALA 112 -2.874 2.368 13.731 898 H ASP 113 HN ASP 113 -0.895 6.038 14.202 899 HA ASP 113 HA ASP 113 -3.585 7.036 14.204 900 1HB ASP 113 HB2 ASP 113 -1.935 7.540 16.003 901 2HB ASP 113 HB1 ASP 113 -1.022 8.507 14.848 902 H ASP 114 HN ASP 114 -0.579 7.967 12.521 903 HA ASP 114 HA ASP 114 -1.783 10.041 11.015 904 1HB ASP 114 HB2 ASP 114 0.434 9.094 9.549 905 2HB ASP 114 HB1 ASP 114 0.357 10.502 10.592 906 H PHE 115 HN PHE 115 -1.327 6.618 10.450 907 HA PHE 115 HA PHE 115 -2.238 6.778 7.713 908 1HB PHE 115 HB2 PHE 115 -1.380 4.696 7.509 909 2HB PHE 115 HB1 PHE 115 -0.645 5.012 9.079 910 HD1 PHE 115 HD1 PHE 115 -2.873 4.744 10.884 911 HD2 PHE 115 HD2 PHE 115 -1.891 2.433 7.465 912 HE1 PHE 115 HE1 PHE 115 -4.047 2.820 11.865 913 HE2 PHE 115 HE2 PHE 115 -3.066 0.502 8.430 914 HZ PHE 115 HZ PHE 115 -4.146 0.699 10.631 915 HA PRO 116 HA PRO 116 -6.547 6.021 8.290 916 1HB PRO 116 HB2 PRO 116 -7.158 3.771 6.881 917 2HB PRO 116 HB1 PRO 116 -6.814 5.327 6.121 918 1HG PRO 116 HG2 PRO 116 -5.019 2.965 6.499 919 2HG PRO 116 HG1 PRO 116 -5.203 4.017 5.084 920 1HD PRO 116 HD2 PRO 116 -3.150 4.267 6.821 921 2HD PRO 116 HD1 PRO 116 -3.849 5.659 5.973 922 HA PRO 117 HA PRO 117 -6.636 3.288 11.852 923 1HB PRO 117 HB2 PRO 117 -9.223 3.794 12.567 924 2HB PRO 117 HB1 PRO 117 -7.874 4.870 12.949 925 1HG PRO 117 HG2 PRO 117 -9.872 5.050 10.725 926 2HG PRO 117 HG1 PRO 117 -9.241 6.337 11.771 927 1HD PRO 117 HD2 PRO 117 -8.333 5.967 9.263 928 2HD PRO 117 HD1 PRO 117 -7.270 6.517 10.575 929 H ALA 118 HN ALA 118 -8.775 3.159 9.118 930 HA ALA 118 HA ALA 118 -10.186 0.811 9.874 931 1HB ALA 118 HB1 ALA 118 -10.644 2.660 8.016 932 2HB ALA 118 HB2 ALA 118 -11.315 1.032 7.920 933 3HB ALA 118 HB3 ALA 118 -9.865 1.445 7.004 934 H ASN 119 HN ASN 119 -7.009 1.260 8.946 935 HA ASN 119 HA ASN 119 -6.802 -1.493 7.929 936 1HB ASN 119 HB2 ASN 119 -5.547 1.050 7.194 937 2HB ASN 119 HB1 ASN 119 -4.414 -0.293 7.320 938 1HD2 ASN 119 1HD2 ASN 119 -7.777 -0.083 6.223 939 2HD2 ASN 119 2HD2 ASN 119 -7.487 -0.747 4.654 940 H GLU 120 HN GLU 120 -6.815 -0.456 10.780 941 HA GLU 120 HA GLU 120 -4.203 -0.661 11.820 942 1HB GLU 120 HB2 GLU 120 -5.202 0.023 13.682 943 2HB GLU 120 HB1 GLU 120 -6.710 0.026 12.794 944 1HG GLU 120 HG2 GLU 120 -7.186 -2.233 13.551 945 2HG GLU 120 HG1 GLU 120 -5.638 -2.290 14.393 946 HA PRO 121 HA PRO 121 -5.764 -5.291 12.778 947 1HB PRO 121 HB2 PRO 121 -6.616 -5.707 9.949 948 2HB PRO 121 HB1 PRO 121 -7.248 -6.431 11.433 949 1HG PRO 121 HG2 PRO 121 -8.589 -4.494 10.203 950 2HG PRO 121 HG1 PRO 121 -8.502 -4.553 11.973 951 1HD PRO 121 HD2 PRO 121 -7.067 -2.768 10.059 952 2HD PRO 121 HD1 PRO 121 -7.683 -2.418 11.686 953 H VAL 122 HN VAL 122 -4.717 -4.390 9.490 954 HA VAL 122 HA VAL 122 -2.744 -6.474 9.394 955 HB VAL 122 HB VAL 122 -2.542 -4.192 7.503 956 1HG1 VAL 122 1HG1 VAL 122 -2.679 -7.145 6.956 957 2HG1 VAL 122 2HG1 VAL 122 -1.193 -6.328 7.439 958 3HG1 VAL 122 3HG1 VAL 122 -2.001 -5.874 5.938 959 1HG2 VAL 122 1HG2 VAL 122 -5.025 -5.714 7.921 960 2HG2 VAL 122 2HG2 VAL 122 -4.464 -5.625 6.252 961 3HG2 VAL 122 3HG2 VAL 122 -4.766 -4.144 7.161 962 H ILE 123 HN ILE 123 -2.612 -2.926 9.539 963 HA ILE 123 HA ILE 123 0.177 -2.725 9.716 964 HB ILE 123 HB ILE 123 -2.107 -0.916 10.092 965 1HG1 ILE 123 2HG1 ILE 123 -0.577 -1.169 8.074 966 2HG1 ILE 123 1HG1 ILE 123 -0.858 0.477 8.630 967 1HG2 ILE 123 1HG2 ILE 123 0.483 -0.390 11.534 968 2HG2 ILE 123 2HG2 ILE 123 -1.130 -0.501 12.237 969 3HG2 ILE 123 3HG2 ILE 123 -0.722 0.846 11.175 970 1HD1 ILE 123 1HD1 ILE 123 1.294 0.398 9.826 971 2HD1 ILE 123 2HD1 ILE 123 1.454 0.205 8.079 972 3HD1 ILE 123 3HD1 ILE 123 1.581 -1.202 9.137 973 H ALA 124 HN ALA 124 -2.268 -3.270 12.172 974 HA ALA 124 HA ALA 124 -0.828 -2.654 14.469 975 1HB ALA 124 HB1 ALA 124 -2.250 -4.520 15.520 976 2HB ALA 124 HB2 ALA 124 -2.979 -4.672 13.922 977 3HB ALA 124 HB3 ALA 124 -3.087 -3.145 14.799 978 H LYS 125 HN LYS 125 -0.759 -5.510 12.428 979 HA LYS 125 HA LYS 125 0.804 -7.152 14.103 980 1HB LYS 125 HB2 LYS 125 0.340 -7.078 11.132 981 2HB LYS 125 HB1 LYS 125 1.460 -8.231 11.847 982 1HG LYS 125 HG2 LYS 125 -1.428 -7.981 12.652 983 2HG LYS 125 HG1 LYS 125 -0.831 -9.117 11.440 984 1HD LYS 125 HD2 LYS 125 -0.702 -10.498 13.229 985 2HD LYS 125 HD1 LYS 125 0.851 -9.689 13.451 986 1HE LYS 125 HE2 LYS 125 0.168 -8.616 15.307 987 2HE LYS 125 HE1 LYS 125 -1.442 -8.307 14.657 988 1HZ LYS 125 HZ1 LYS 125 -2.262 -10.184 15.558 989 2HZ LYS 125 HZ2 LYS 125 -0.967 -10.012 16.633 990 3HZ LYS 125 HZ3 LYS 125 -0.842 -11.072 15.321 991 H LEU 126 HN LEU 126 1.703 -4.911 11.502 992 HA LEU 126 HA LEU 126 4.521 -5.345 11.870 993 1HB LEU 126 HB2 LEU 126 3.337 -4.664 9.712 994 2HB LEU 126 HB1 LEU 126 3.240 -3.054 10.397 995 HG LEU 126 HG LEU 126 5.633 -2.843 10.431 996 1HD1 LEU 126 1HD1 LEU 126 6.803 -4.699 10.836 997 2HD1 LEU 126 2HD1 LEU 126 6.700 -4.996 9.101 998 3HD1 LEU 126 3HD1 LEU 126 5.537 -5.744 10.195 999 1HD2 LEU 126 1HD2 LEU 126 4.414 -3.823 7.878 1000 2HD2 LEU 126 2HD2 LEU 126 6.107 -3.334 7.941 1001 3HD2 LEU 126 3HD2 LEU 126 4.840 -2.179 8.354 1002 H LYS 127 HN LYS 127 2.128 -3.142 13.090 1003 HA LYS 127 HA LYS 127 3.732 -1.012 13.918 1004 1HB LYS 127 HB2 LYS 127 1.212 -1.184 13.914 1005 2HB LYS 127 HB1 LYS 127 1.345 -2.067 15.422 1006 1HG LYS 127 HG2 LYS 127 1.999 -0.228 16.611 1007 2HG LYS 127 HG1 LYS 127 2.681 0.580 15.197 1008 1HD LYS 127 HD2 LYS 127 0.686 1.474 14.578 1009 2HD LYS 127 HD1 LYS 127 -0.238 0.091 15.171 1010 1HE LYS 127 HE2 LYS 127 -0.842 1.748 16.662 1011 2HE LYS 127 HE1 LYS 127 0.480 0.951 17.514 1012 1HZ LYS 127 HZ1 LYS 127 1.155 3.085 17.722 1013 2HZ LYS 127 HZ2 LYS 127 0.376 3.607 16.315 1014 3HZ LYS 127 HZ3 LYS 127 1.848 2.781 16.209 1015 H ARG 128 HN ARG 128 2.888 -4.034 15.542 1016 HA ARG 128 HA ARG 128 4.377 -3.389 17.913 1017 1HB ARG 128 HB2 ARG 128 2.474 -4.858 18.114 1018 2HB ARG 128 HB1 ARG 128 3.141 -5.961 16.920 1019 1HG ARG 128 HG2 ARG 128 4.897 -6.615 18.416 1020 2HG ARG 128 HG1 ARG 128 4.416 -5.383 19.585 1021 1HD ARG 128 HD2 ARG 128 2.747 -6.642 20.406 1022 2HD ARG 128 HD1 ARG 128 2.265 -7.215 18.810 1023 HE ARG 128 HE ARG 128 3.935 -8.566 20.679 1024 1HH1 ARG 128 1HH1 ARG 128 3.383 -8.095 17.265 1025 2HH1 ARG 128 2HH1 ARG 128 4.067 -9.621 16.817 1026 1HH2 ARG 128 1HH2 ARG 128 4.836 -10.574 20.091 1027 2HH2 ARG 128 2HH2 ARG 128 4.892 -11.028 18.421 1028 H LEU 129 HN LEU 129 5.293 -4.142 14.844 1029 HA LEU 129 HA LEU 129 7.178 -4.960 13.860 1030 1HB LEU 129 HB2 LEU 129 8.410 -4.198 16.507 1031 2HB LEU 129 HB1 LEU 129 9.277 -4.451 15.004 1032 HG LEU 129 HG LEU 129 7.530 -2.531 14.232 1033 1HD1 LEU 129 1HD1 LEU 129 6.964 -1.048 15.864 1034 2HD1 LEU 129 2HD1 LEU 129 8.327 -1.489 16.894 1035 3HD1 LEU 129 3HD1 LEU 129 6.913 -2.540 16.803 1036 1HD2 LEU 129 1HD2 LEU 129 9.798 -2.303 13.718 1037 2HD2 LEU 129 2HD2 LEU 129 10.282 -2.349 15.413 1038 3HD2 LEU 129 3HD2 LEU 129 9.454 -0.929 14.770 1039 1HO1 MO2 130 1HO1 MO2 130 -6.312 4.285 -8.515 1040 2HO1 MO2 130 2HO1 MO2 130 -4.356 3.987 -6.669 1041 1HO2 MO2 130 1HO2 MO2 130 -6.251 4.105 -10.015 1042 2HO2 MO2 130 2HO2 MO2 130 -3.164 3.072 -6.501 1043 1H5* 8OG 131 1H5* 8OG 131 -12.160 4.168 -3.377 1044 2H5* 8OG 131 2H5* 8OG 131 -11.728 4.513 -1.730 1045 H4* 8OG 131 1H4* 8OG 131 -10.459 2.520 -3.595 1046 H3* 8OG 131 1H3* 8OG 131 -12.625 2.218 -1.796 1047 1H2* 8OG 131 1H2* 8OG 131 -11.710 1.201 -0.027 1048 2H2* 8OG 131 2H2* 8OG 131 -10.964 0.014 -1.072 1049 H1* 8OG 131 1H1* 8OG 131 -8.974 0.956 -0.833 1050 H1 8OG 131 H1 8OG 131 -5.634 1.108 4.091 1051 H7 8OG 131 H7 8OG 131 -10.058 3.350 3.554 1052 1H2 8OG 131 H21 8OG 131 -4.951 -0.326 0.975 1053 2H2 8OG 131 H22 8OG 131 -4.410 -0.075 2.601 1054 H3T 8OG 131 *HO1 8OG 131 -12.831 0.248 -2.853 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -24.691 -6.914 -5.027 2 2H MET 1 HT2 MET 1 -24.957 -5.954 -3.630 3 3H MET 1 HT3 MET 1 -25.518 -7.576 -3.679 4 HA MET 1 HA MET 1 -23.498 -7.208 -2.359 5 1HB MET 1 HB2 MET 1 -24.331 -9.327 -3.680 6 2HB MET 1 HB1 MET 1 -22.911 -9.018 -4.671 7 1HG MET 1 HG2 MET 1 -21.891 -10.346 -3.191 8 2HG MET 1 HG1 MET 1 -21.823 -8.883 -2.210 9 1HE MET 1 HE1 MET 1 -22.301 -12.353 -2.169 10 2HE MET 1 HE2 MET 1 -23.127 -12.652 -0.638 11 3HE MET 1 HE3 MET 1 -21.614 -11.746 -0.663 12 H LYS 2 HN LYS 2 -22.263 -5.372 -2.479 13 HA LYS 2 HA LYS 2 -20.730 -4.824 -4.892 14 1HB LYS 2 HB2 LYS 2 -21.831 -3.234 -2.850 15 2HB LYS 2 HB1 LYS 2 -20.088 -3.098 -2.668 16 1HG LYS 2 HG2 LYS 2 -21.045 -2.852 -5.427 17 2HG LYS 2 HG1 LYS 2 -21.601 -1.584 -4.334 18 1HD LYS 2 HD2 LYS 2 -19.335 -1.046 -3.722 19 2HD LYS 2 HD1 LYS 2 -18.719 -2.414 -4.651 20 1HE LYS 2 HE2 LYS 2 -20.393 -0.553 -6.180 21 2HE LYS 2 HE1 LYS 2 -18.896 0.146 -5.567 22 1HZ LYS 2 HZ1 LYS 2 -17.646 -1.118 -6.925 23 2HZ LYS 2 HZ2 LYS 2 -19.059 -1.194 -7.853 24 3HZ LYS 2 HZ3 LYS 2 -18.661 -2.467 -6.813 25 H LYS 3 HN LYS 3 -18.613 -5.213 -5.145 26 HA LYS 3 HA LYS 3 -17.017 -5.955 -2.799 27 1HB LYS 3 HB2 LYS 3 -17.719 -8.058 -3.753 28 2HB LYS 3 HB1 LYS 3 -17.244 -7.536 -5.361 29 1HG LYS 3 HG2 LYS 3 -14.879 -7.374 -4.446 30 2HG LYS 3 HG1 LYS 3 -15.481 -8.257 -3.043 31 1HD LYS 3 HD2 LYS 3 -15.601 -9.195 -5.908 32 2HD LYS 3 HD1 LYS 3 -14.468 -9.765 -4.681 33 1HE LYS 3 HE2 LYS 3 -16.935 -10.080 -3.481 34 2HE LYS 3 HE1 LYS 3 -17.238 -10.518 -5.163 35 1HZ LYS 3 HZ1 LYS 3 -16.554 -12.503 -4.288 36 2HZ LYS 3 HZ2 LYS 3 -15.467 -11.797 -3.200 37 3HZ LYS 3 HZ3 LYS 3 -15.073 -11.899 -4.842 38 H LEU 4 HN LEU 4 -14.962 -5.216 -2.818 39 HA LEU 4 HA LEU 4 -13.790 -4.236 -5.301 40 1HB LEU 4 HB2 LEU 4 -13.204 -2.069 -4.244 41 2HB LEU 4 HB1 LEU 4 -14.924 -2.282 -4.513 42 HG LEU 4 HG LEU 4 -14.752 -3.168 -1.972 43 1HD1 LEU 4 1HD1 LEU 4 -13.298 -1.373 -0.843 44 2HD1 LEU 4 2HD1 LEU 4 -12.475 -1.271 -2.400 45 3HD1 LEU 4 3HD1 LEU 4 -12.503 -2.797 -1.516 46 1HD2 LEU 4 1HD2 LEU 4 -16.367 -1.604 -2.248 47 2HD2 LEU 4 2HD2 LEU 4 -15.343 -0.557 -3.230 48 3HD2 LEU 4 3HD2 LEU 4 -15.162 -0.574 -1.475 49 H GLN 5 HN GLN 5 -11.596 -4.429 -5.354 50 HA GLN 5 HA GLN 5 -10.334 -5.489 -2.922 51 1HB GLN 5 HB2 GLN 5 -9.070 -5.801 -5.604 52 2HB GLN 5 HB1 GLN 5 -9.006 -6.863 -4.206 53 1HG GLN 5 HG2 GLN 5 -11.219 -7.655 -4.624 54 2HG GLN 5 HG1 GLN 5 -11.452 -6.459 -5.893 55 1HE2 GLN 5 1HE2 GLN 5 -10.295 -9.560 -5.107 56 2HE2 GLN 5 2HE2 GLN 5 -9.702 -9.995 -6.670 57 H ILE 6 HN ILE 6 -8.325 -4.811 -2.289 58 HA ILE 6 HA ILE 6 -7.142 -2.496 -3.630 59 HB ILE 6 HB ILE 6 -6.868 -2.238 -0.762 60 1HG1 ILE 6 2HG1 ILE 6 -9.138 -3.343 -0.836 61 2HG1 ILE 6 1HG1 ILE 6 -9.119 -1.737 -0.117 62 1HG2 ILE 6 1HG2 ILE 6 -7.941 -0.510 -2.971 63 2HG2 ILE 6 2HG2 ILE 6 -6.353 -0.439 -2.205 64 3HG2 ILE 6 3HG2 ILE 6 -7.790 0.036 -1.301 65 1HD1 ILE 6 1HD1 ILE 6 -10.670 -2.707 -2.287 66 2HD1 ILE 6 2HD1 ILE 6 -9.626 -1.410 -2.870 67 3HD1 ILE 6 3HD1 ILE 6 -10.713 -1.124 -1.511 68 H ALA 7 HN ALA 7 -4.980 -2.699 -3.840 69 HA ALA 7 HA ALA 7 -3.605 -4.622 -2.072 70 1HB ALA 7 HB1 ALA 7 -2.153 -5.202 -4.001 71 2HB ALA 7 HB2 ALA 7 -3.201 -4.234 -5.041 72 3HB ALA 7 HB3 ALA 7 -3.838 -5.665 -4.224 73 H VAL 8 HN VAL 8 -1.962 -3.742 -0.979 74 HA VAL 8 HA VAL 8 -0.685 -1.353 -2.123 75 HB VAL 8 HB VAL 8 -1.042 -0.123 -0.309 76 1HG1 VAL 8 1HG1 VAL 8 -2.794 -0.904 1.311 77 2HG1 VAL 8 2HG1 VAL 8 -2.788 -2.450 0.463 78 3HG1 VAL 8 3HG1 VAL 8 -3.255 -0.979 -0.389 79 1HG2 VAL 8 1HG2 VAL 8 -0.179 -2.513 1.314 80 2HG2 VAL 8 2HG2 VAL 8 -0.590 -0.951 2.020 81 3HG2 VAL 8 3HG2 VAL 8 0.772 -1.085 0.906 82 H GLY 9 HN GLY 9 1.508 -0.939 -1.302 83 1HA GLY 9 HA2 GLY 9 2.906 -3.265 -0.245 84 2HA GLY 9 HA1 GLY 9 3.349 -2.756 -1.865 85 H ILE 10 HN ILE 10 4.126 -2.498 1.319 86 HA ILE 10 HA ILE 10 4.950 0.237 1.485 87 HB ILE 10 HB ILE 10 6.117 -2.058 3.070 88 1HG1 ILE 10 2HG1 ILE 10 4.103 -1.080 4.646 89 2HG1 ILE 10 1HG1 ILE 10 3.364 -1.022 3.049 90 1HG2 ILE 10 1HG2 ILE 10 6.009 -0.216 4.860 91 2HG2 ILE 10 2HG2 ILE 10 5.803 0.885 3.499 92 3HG2 ILE 10 3HG2 ILE 10 7.255 -0.111 3.618 93 1HD1 ILE 10 1HD1 ILE 10 4.017 -3.307 4.742 94 2HD1 ILE 10 2HD1 ILE 10 4.467 -3.502 3.047 95 3HD1 ILE 10 3HD1 ILE 10 2.798 -3.134 3.481 96 H ILE 11 HN ILE 11 6.366 0.935 -0.035 97 HA ILE 11 HA ILE 11 8.327 -0.726 -1.238 98 HB ILE 11 HB ILE 11 8.603 2.239 -1.338 99 1HG1 ILE 11 2HG1 ILE 11 6.307 0.625 -2.410 100 2HG1 ILE 11 1HG1 ILE 11 6.286 2.210 -1.644 101 1HG2 ILE 11 1HG2 ILE 11 9.639 1.852 -3.325 102 2HG2 ILE 11 2HG2 ILE 11 8.631 0.458 -3.707 103 3HG2 ILE 11 3HG2 ILE 11 9.953 0.298 -2.552 104 1HD1 ILE 11 1HD1 ILE 11 5.768 2.392 -3.997 105 2HD1 ILE 11 2HD1 ILE 11 7.281 1.583 -4.412 106 3HD1 ILE 11 3HD1 ILE 11 7.312 3.173 -3.652 107 H ARG 12 HN ARG 12 10.209 -1.330 -0.498 108 HA ARG 12 HA ARG 12 11.352 -0.096 1.843 109 1HB ARG 12 HB2 ARG 12 11.607 -2.627 0.462 110 2HB ARG 12 HB1 ARG 12 13.181 -1.967 0.880 111 1HG ARG 12 HG2 ARG 12 11.406 -1.681 3.103 112 2HG ARG 12 HG1 ARG 12 11.394 -3.350 2.539 113 1HD ARG 12 HD2 ARG 12 14.056 -2.130 2.688 114 2HD ARG 12 HD1 ARG 12 13.237 -2.292 4.241 115 HE ARG 12 HE ARG 12 14.326 -4.397 2.636 116 1HH1 ARG 12 1HH1 ARG 12 11.872 -3.620 4.993 117 2HH1 ARG 12 2HH1 ARG 12 11.751 -5.243 5.585 118 1HH2 ARG 12 1HH2 ARG 12 14.167 -6.532 3.413 119 2HH2 ARG 12 2HH2 ARG 12 13.054 -6.896 4.689 120 H ASN 13 HN ASN 13 12.673 1.509 1.822 121 HA ASN 13 HA ASN 13 13.920 2.493 -0.560 122 1HB ASN 13 HB2 ASN 13 13.053 4.062 1.014 123 2HB ASN 13 HB1 ASN 13 14.009 3.373 2.292 124 1HD2 ASN 13 1HD2 ASN 13 14.222 5.101 -0.762 125 2HD2 ASN 13 2HD2 ASN 13 15.680 5.946 -0.387 126 H GLU 14 HN GLU 14 16.246 3.374 -0.136 127 HA GLU 14 HA GLU 14 17.970 1.098 -0.041 128 1HB GLU 14 HB2 GLU 14 18.407 2.819 -1.647 129 2HB GLU 14 HB1 GLU 14 18.443 4.058 -0.396 130 1HG GLU 14 HG2 GLU 14 20.533 3.347 0.394 131 2HG GLU 14 HG1 GLU 14 20.423 1.802 -0.448 132 H ASN 15 HN ASN 15 16.650 2.789 2.463 133 HA ASN 15 HA ASN 15 18.912 2.127 4.198 134 1HB ASN 15 HB2 ASN 15 19.075 4.535 3.702 135 2HB ASN 15 HB1 ASN 15 17.434 4.763 4.298 136 1HD2 ASN 15 1HD2 ASN 15 20.594 3.512 5.283 137 2HD2 ASN 15 2HD2 ASN 15 20.478 4.025 6.928 138 H ASN 16 HN ASN 16 16.869 0.459 4.053 139 HA ASN 16 HA ASN 16 15.108 -0.532 5.124 140 1HB ASN 16 HB2 ASN 16 15.402 -0.755 7.518 141 2HB ASN 16 HB1 ASN 16 16.977 -0.807 6.733 142 1HD2 ASN 16 1HD2 ASN 16 14.845 1.017 8.772 143 2HD2 ASN 16 2HD2 ASN 16 16.019 2.156 9.330 144 H GLU 17 HN GLU 17 14.661 2.254 4.270 145 HA GLU 17 HA GLU 17 12.509 2.956 6.155 146 1HB GLU 17 HB2 GLU 17 12.717 5.288 5.186 147 2HB GLU 17 HB1 GLU 17 14.058 4.765 6.192 148 1HG GLU 17 HG2 GLU 17 15.170 4.083 3.975 149 2HG GLU 17 HG1 GLU 17 13.951 5.112 3.226 150 H ILE 18 HN ILE 18 10.560 3.924 5.065 151 HA ILE 18 HA ILE 18 10.338 3.060 2.267 152 HB ILE 18 HB ILE 18 8.436 2.309 4.473 153 1HG1 ILE 18 2HG1 ILE 18 9.184 0.149 2.768 154 2HG1 ILE 18 1HG1 ILE 18 10.648 0.997 3.254 155 1HG2 ILE 18 1HG2 ILE 18 6.796 2.447 2.967 156 2HG2 ILE 18 2HG2 ILE 18 7.557 1.081 2.151 157 3HG2 ILE 18 3HG2 ILE 18 7.931 2.725 1.650 158 1HD1 ILE 18 1HD1 ILE 18 10.113 -0.835 4.763 159 2HD1 ILE 18 2HD1 ILE 18 8.556 -0.091 5.121 160 3HD1 ILE 18 3HD1 ILE 18 10.050 0.721 5.589 161 H PHE 19 HN PHE 19 9.005 4.210 0.978 162 HA PHE 19 HA PHE 19 8.079 6.762 2.030 163 1HB PHE 19 HB2 PHE 19 8.779 7.531 0.043 164 2HB PHE 19 HB1 PHE 19 9.222 5.896 -0.428 165 HD1 PHE 19 HD1 PHE 19 7.642 4.512 -1.722 166 HD2 PHE 19 HD2 PHE 19 6.845 8.597 -0.834 167 HE1 PHE 19 HE1 PHE 19 5.922 4.556 -3.481 168 HE2 PHE 19 HE2 PHE 19 5.124 8.646 -2.593 169 HZ PHE 19 HZ PHE 19 4.661 6.624 -3.917 170 H ILE 20 HN ILE 20 6.043 6.985 2.665 171 HA ILE 20 HA ILE 20 3.999 5.217 1.482 172 HB ILE 20 HB ILE 20 3.142 6.639 3.882 173 1HG1 ILE 20 2HG1 ILE 20 5.567 6.350 4.432 174 2HG1 ILE 20 1HG1 ILE 20 4.488 5.473 5.510 175 1HG2 ILE 20 1HG2 ILE 20 1.792 4.883 3.905 176 2HG2 ILE 20 2HG2 ILE 20 3.161 3.800 4.152 177 3HG2 ILE 20 3HG2 ILE 20 2.652 4.217 2.516 178 1HD1 ILE 20 1HD1 ILE 20 5.819 4.178 3.156 179 2HD1 ILE 20 2HD1 ILE 20 5.031 3.406 4.532 180 3HD1 ILE 20 3HD1 ILE 20 6.560 4.257 4.755 181 H THR 21 HN THR 21 2.187 6.133 0.556 182 HA THR 21 HA THR 21 2.359 8.953 -0.050 183 HB THR 21 HB THR 21 0.753 8.573 -1.707 184 HG1 THR 21 HG1 THR 21 0.003 6.190 -0.370 185 1HG2 THR 21 1HG2 THR 21 1.946 7.217 -2.970 186 2HG2 THR 21 2HG2 THR 21 1.432 5.818 -2.028 187 3HG2 THR 21 3HG2 THR 21 2.855 6.737 -1.537 188 H ARG 22 HN ARG 22 1.613 10.394 1.360 189 HA ARG 22 HA ARG 22 -0.734 9.692 2.975 190 1HB ARG 22 HB2 ARG 22 -0.037 11.494 4.473 191 2HB ARG 22 HB1 ARG 22 1.268 10.343 4.225 192 1HG ARG 22 HG2 ARG 22 2.573 11.834 3.132 193 2HG ARG 22 HG1 ARG 22 1.199 12.692 2.431 194 1HD ARG 22 HD2 ARG 22 1.335 14.236 4.020 195 2HD ARG 22 HD1 ARG 22 1.105 13.003 5.258 196 HE ARG 22 HE ARG 22 3.798 13.162 4.260 197 1HH1 ARG 22 1HH1 ARG 22 1.527 14.431 6.586 198 2HH1 ARG 22 2HH1 ARG 22 2.757 14.957 7.685 199 1HH2 ARG 22 1HH2 ARG 22 5.416 13.853 5.706 200 2HH2 ARG 22 2HH2 ARG 22 4.964 14.628 7.187 201 H ARG 23 HN ARG 23 -2.085 11.690 3.580 202 HA ARG 23 HA ARG 23 -3.237 12.683 1.186 203 1HB ARG 23 HB2 ARG 23 -3.699 13.123 4.100 204 2HB ARG 23 HB1 ARG 23 -4.409 14.261 2.962 205 1HG ARG 23 HG2 ARG 23 -4.861 11.286 3.043 206 2HG ARG 23 HG1 ARG 23 -6.005 12.543 3.513 207 1HD ARG 23 HD2 ARG 23 -5.758 13.406 1.119 208 2HD ARG 23 HD1 ARG 23 -4.995 11.855 0.770 209 HE ARG 23 HE ARG 23 -7.554 11.636 2.068 210 1HH1 ARG 23 1HH1 ARG 23 -5.905 11.915 -0.996 211 2HH1 ARG 23 2HH1 ARG 23 -7.198 11.198 -1.898 212 1HH2 ARG 23 1HH2 ARG 23 -9.254 10.692 0.882 213 2HH2 ARG 23 2HH2 ARG 23 -9.099 10.505 -0.833 214 H ALA 24 HN ALA 24 -0.486 13.635 2.795 215 HA ALA 24 HA ALA 24 0.990 15.304 2.334 216 1HB ALA 24 HB1 ALA 24 0.734 16.707 0.526 217 2HB ALA 24 HB2 ALA 24 -1.011 16.843 0.741 218 3HB ALA 24 HB3 ALA 24 -0.317 15.362 0.083 219 H ALA 25 HN ALA 25 -1.739 15.479 4.089 220 HA ALA 25 HA ALA 25 -2.546 16.858 5.707 221 1HB ALA 25 HB1 ALA 25 -0.981 17.904 7.071 222 2HB ALA 25 HB2 ALA 25 0.087 18.285 5.720 223 3HB ALA 25 HB3 ALA 25 -0.048 16.623 6.295 224 H ASP 26 HN ASP 26 -2.898 17.670 2.940 225 HA ASP 26 HA ASP 26 -3.564 20.457 3.436 226 1HB ASP 26 HB2 ASP 26 -2.632 21.065 1.134 227 2HB ASP 26 HB1 ASP 26 -1.459 20.825 2.426 228 H ALA 27 HN ALA 27 -5.610 19.134 3.491 229 HA ALA 27 HA ALA 27 -7.012 19.506 1.030 230 1HB ALA 27 HB1 ALA 27 -6.398 16.707 1.938 231 2HB ALA 27 HB2 ALA 27 -6.108 17.434 0.357 232 3HB ALA 27 HB3 ALA 27 -7.756 17.088 0.880 233 H HIS 28 HN HIS 28 -7.410 17.253 3.766 234 HA HIS 28 HA HIS 28 -9.282 18.874 5.139 235 1HB HIS 28 HB2 HIS 28 -11.262 17.314 4.750 236 2HB HIS 28 HB1 HIS 28 -10.855 18.409 3.433 237 HD1 HIS 28 HD1 HIS 28 -10.958 14.800 4.345 238 HD2 HIS 28 HD2 HIS 28 -9.815 17.166 1.125 239 HE1 HIS 28 HE1 HIS 28 -10.650 13.212 2.419 240 HE2 HIS 28 HE2 HIS 28 -9.871 14.655 0.507 241 H MET 29 HN MET 29 -8.239 15.564 4.443 242 HA MET 29 HA MET 29 -8.294 15.029 7.341 243 1HB MET 29 HB2 MET 29 -9.172 13.375 5.029 244 2HB MET 29 HB1 MET 29 -8.394 12.542 6.368 245 1HG MET 29 HG2 MET 29 -10.052 13.595 7.896 246 2HG MET 29 HG1 MET 29 -10.879 14.230 6.476 247 1HE MET 29 HE1 MET 29 -11.167 11.484 9.032 248 2HE MET 29 HE2 MET 29 -12.687 10.987 8.286 249 3HE MET 29 HE3 MET 29 -12.363 12.698 8.572 250 H ALA 30 HN ALA 30 -6.144 15.700 7.600 251 HA ALA 30 HA ALA 30 -4.001 14.685 6.029 252 1HB ALA 30 HB1 ALA 30 -3.834 16.800 7.234 253 2HB ALA 30 HB2 ALA 30 -2.548 15.690 7.710 254 3HB ALA 30 HB3 ALA 30 -3.937 15.938 8.770 255 H ASN 31 HN ASN 31 -5.910 13.201 8.360 256 HA ASN 31 HA ASN 31 -3.803 11.494 9.402 257 1HB ASN 31 HB2 ASN 31 -6.448 12.275 10.246 258 2HB ASN 31 HB1 ASN 31 -6.305 10.521 10.247 259 1HD2 ASN 31 1HD2 ASN 31 -3.810 12.936 10.860 260 2HD2 ASN 31 2HD2 ASN 31 -3.488 12.452 12.486 261 H LYS 32 HN LYS 32 -4.437 11.358 6.542 262 HA LYS 32 HA LYS 32 -5.414 8.592 6.419 263 1HB LYS 32 HB2 LYS 32 -6.006 10.921 4.773 264 2HB LYS 32 HB1 LYS 32 -5.502 9.532 3.821 265 1HG LYS 32 HG2 LYS 32 -7.305 8.252 4.481 266 2HG LYS 32 HG1 LYS 32 -7.584 9.212 5.934 267 1HD LYS 32 HD2 LYS 32 -8.236 11.117 4.432 268 2HD LYS 32 HD1 LYS 32 -8.166 9.986 3.079 269 1HE LYS 32 HE2 LYS 32 -9.769 9.166 5.428 270 2HE LYS 32 HE1 LYS 32 -10.409 10.489 4.453 271 1HZ LYS 32 HZ1 LYS 32 -9.458 8.166 2.988 272 2HZ LYS 32 HZ2 LYS 32 -10.822 9.131 2.723 273 3HZ LYS 32 HZ3 LYS 32 -10.855 7.931 3.915 274 H LEU 33 HN LEU 33 -2.715 9.565 6.950 275 HA LEU 33 HA LEU 33 -0.952 9.335 4.819 276 1HB LEU 33 HB2 LEU 33 -0.564 9.881 7.331 277 2HB LEU 33 HB1 LEU 33 -0.360 8.156 7.511 278 HG LEU 33 HG LEU 33 1.397 10.123 6.107 279 1HD1 LEU 33 1HD1 LEU 33 3.035 8.432 7.328 280 2HD1 LEU 33 2HD1 LEU 33 1.600 8.165 8.318 281 3HD1 LEU 33 3HD1 LEU 33 2.278 9.786 8.167 282 1HD2 LEU 33 1HD2 LEU 33 0.944 8.358 4.454 283 2HD2 LEU 33 2HD2 LEU 33 1.434 7.142 5.634 284 3HD2 LEU 33 3HD2 LEU 33 2.610 8.310 5.032 285 H GLU 34 HN GLU 34 -1.671 7.708 3.369 286 HA GLU 34 HA GLU 34 -1.453 4.952 4.384 287 1HB GLU 34 HB2 GLU 34 -3.554 6.148 3.050 288 2HB GLU 34 HB1 GLU 34 -2.731 5.258 1.775 289 1HG GLU 34 HG2 GLU 34 -2.847 3.231 3.226 290 2HG GLU 34 HG1 GLU 34 -3.850 4.158 4.339 291 H PHE 35 HN PHE 35 -1.295 3.569 2.058 292 HA PHE 35 HA PHE 35 1.266 4.444 0.903 293 1HB PHE 35 HB2 PHE 35 1.019 1.619 0.652 294 2HB PHE 35 HB1 PHE 35 2.202 2.532 1.579 295 HD1 PHE 35 HD1 PHE 35 -1.361 1.448 1.861 296 HD2 PHE 35 HD2 PHE 35 2.373 2.049 3.811 297 HE1 PHE 35 HE1 PHE 35 -2.306 0.541 3.942 298 HE2 PHE 35 HE2 PHE 35 1.434 1.142 5.896 299 HZ PHE 35 HZ PHE 35 -0.909 0.386 5.963 300 HA PRO 36 HA PRO 36 -0.269 3.942 -3.218 301 1HB PRO 36 HB2 PRO 36 1.629 2.409 -4.434 302 2HB PRO 36 HB1 PRO 36 1.867 4.113 -4.052 303 1HG PRO 36 HG2 PRO 36 2.777 1.698 -2.537 304 2HG PRO 36 HG1 PRO 36 3.671 3.183 -2.916 305 1HD PRO 36 HD2 PRO 36 2.573 2.784 -0.501 306 2HD PRO 36 HD1 PRO 36 2.615 4.395 -1.245 307 H GLY 37 HN GLY 37 -0.981 2.262 -4.872 308 1HA GLY 37 HA2 GLY 37 -1.475 -0.050 -5.336 309 2HA GLY 37 HA1 GLY 37 -1.346 -0.364 -3.634 310 H GLY 38 HN GLY 38 -3.210 1.716 -5.706 311 1HA GLY 38 HA2 GLY 38 -5.694 0.702 -4.517 312 2HA GLY 38 HA1 GLY 38 -5.428 2.438 -4.640 313 H LYS 39 HN LYS 39 -6.711 -0.263 -6.158 314 HA LYS 39 HA LYS 39 -8.216 0.310 -8.042 315 1HB LYS 39 HB2 LYS 39 -7.026 2.298 -8.784 316 2HB LYS 39 HB1 LYS 39 -5.627 1.329 -9.228 317 1HG LYS 39 HG2 LYS 39 -6.514 0.732 -11.194 318 2HG LYS 39 HG1 LYS 39 -8.121 0.487 -10.507 319 1HD LYS 39 HD2 LYS 39 -6.943 3.212 -11.020 320 2HD LYS 39 HD1 LYS 39 -7.925 2.346 -12.203 321 1HE LYS 39 HE2 LYS 39 -9.570 3.552 -11.194 322 2HE LYS 39 HE1 LYS 39 -9.566 2.146 -10.129 323 1HZ LYS 39 HZ1 LYS 39 -8.717 3.327 -8.428 324 2HZ LYS 39 HZ2 LYS 39 -9.375 4.647 -9.256 325 3HZ LYS 39 HZ3 LYS 39 -7.731 4.283 -9.417 326 H ILE 40 HN ILE 40 -5.513 -1.471 -7.263 327 HA ILE 40 HA ILE 40 -4.824 -3.075 -9.318 328 HB ILE 40 HB ILE 40 -3.720 -3.764 -7.465 329 1HG1 ILE 40 2HG1 ILE 40 -6.028 -5.699 -7.233 330 2HG1 ILE 40 1HG1 ILE 40 -4.894 -5.738 -8.578 331 1HG2 ILE 40 1HG2 ILE 40 -4.580 -2.700 -5.678 332 2HG2 ILE 40 2HG2 ILE 40 -5.243 -4.300 -5.327 333 3HG2 ILE 40 3HG2 ILE 40 -6.247 -3.081 -6.108 334 1HD1 ILE 40 1HD1 ILE 40 -3.868 -7.241 -7.268 335 2HD1 ILE 40 2HD1 ILE 40 -4.560 -6.589 -5.787 336 3HD1 ILE 40 3HD1 ILE 40 -3.169 -5.800 -6.533 337 H GLU 41 HN GLU 41 -7.642 -3.492 -7.326 338 HA GLU 41 HA GLU 41 -8.806 -5.756 -8.011 339 1HB GLU 41 HB2 GLU 41 -11.041 -4.420 -8.121 340 2HB GLU 41 HB1 GLU 41 -10.110 -4.455 -6.634 341 1HG GLU 41 HG2 GLU 41 -9.918 -2.257 -6.631 342 2HG GLU 41 HG1 GLU 41 -9.248 -2.254 -8.255 343 H MET 42 HN MET 42 -10.048 -3.033 -9.909 344 HA MET 42 HA MET 42 -10.914 -3.010 -12.030 345 1HB MET 42 HB2 MET 42 -8.100 -4.009 -12.322 346 2HB MET 42 HB1 MET 42 -9.115 -3.778 -13.739 347 1HG MET 42 HG2 MET 42 -8.455 -1.653 -11.714 348 2HG MET 42 HG1 MET 42 -7.667 -1.855 -13.277 349 1HE MET 42 HE1 MET 42 -9.067 -1.799 -15.590 350 2HE MET 42 HE2 MET 42 -10.738 -1.247 -15.703 351 3HE MET 42 HE3 MET 42 -10.371 -2.798 -14.947 352 H GLY 43 HN GLY 43 -9.004 -5.824 -12.899 353 1HA GLY 43 HA2 GLY 43 -11.085 -7.743 -12.535 354 2HA GLY 43 HA1 GLY 43 -11.038 -7.158 -14.184 355 H GLU 44 HN GLU 44 -8.101 -7.340 -12.417 356 HA GLU 44 HA GLU 44 -7.054 -9.270 -14.289 357 1HB GLU 44 HB2 GLU 44 -5.986 -7.236 -12.573 358 2HB GLU 44 HB1 GLU 44 -5.162 -8.753 -12.244 359 1HG GLU 44 HG2 GLU 44 -3.864 -8.299 -13.976 360 2HG GLU 44 HG1 GLU 44 -5.258 -8.637 -15.002 361 H THR 45 HN THR 45 -5.173 -10.611 -12.657 362 HA THR 45 HA THR 45 -6.973 -12.408 -11.178 363 HB THR 45 HB THR 45 -4.345 -13.508 -11.699 364 HG1 THR 45 HG1 THR 45 -4.311 -12.196 -13.510 365 1HG2 THR 45 1HG2 THR 45 -7.145 -14.285 -12.051 366 2HG2 THR 45 2HG2 THR 45 -5.756 -15.227 -11.509 367 3HG2 THR 45 3HG2 THR 45 -6.025 -14.962 -13.233 368 HA PRO 46 HA PRO 46 -5.243 -11.677 -7.194 369 1HB PRO 46 HB2 PRO 46 -4.165 -14.267 -6.720 370 2HB PRO 46 HB1 PRO 46 -5.720 -13.637 -6.179 371 1HG PRO 46 HG2 PRO 46 -5.085 -15.332 -8.530 372 2HG PRO 46 HG1 PRO 46 -6.555 -15.280 -7.540 373 1HD PRO 46 HD2 PRO 46 -6.514 -14.228 -9.989 374 2HD PRO 46 HD1 PRO 46 -7.396 -13.427 -8.674 375 H GLU 47 HN GLU 47 -3.289 -13.188 -9.673 376 HA GLU 47 HA GLU 47 -0.823 -12.467 -8.295 377 1HB GLU 47 HB2 GLU 47 -1.502 -14.206 -10.626 378 2HB GLU 47 HB1 GLU 47 0.129 -13.564 -10.491 379 1HG GLU 47 HG2 GLU 47 -0.993 -14.835 -8.074 380 2HG GLU 47 HG1 GLU 47 -0.627 -15.895 -9.435 381 H GLN 48 HN GLN 48 -2.278 -11.937 -11.535 382 HA GLN 48 HA GLN 48 -0.347 -9.881 -12.133 383 1HB GLN 48 HB2 GLN 48 -2.593 -11.196 -13.572 384 2HB GLN 48 HB1 GLN 48 -2.100 -9.601 -14.123 385 1HG GLN 48 HG2 GLN 48 0.159 -10.386 -14.480 386 2HG GLN 48 HG1 GLN 48 -0.267 -11.971 -13.837 387 1HE2 GLN 48 1HE2 GLN 48 -1.918 -9.805 -16.104 388 2HE2 GLN 48 2HE2 GLN 48 -2.011 -10.946 -17.397 389 H ALA 49 HN ALA 49 -3.106 -9.875 -10.280 390 HA ALA 49 HA ALA 49 -4.352 -7.474 -11.074 391 1HB ALA 49 HB1 ALA 49 -5.476 -9.089 -9.654 392 2HB ALA 49 HB2 ALA 49 -5.399 -7.524 -8.851 393 3HB ALA 49 HB3 ALA 49 -4.297 -8.813 -8.372 394 H VAL 50 HN VAL 50 -2.115 -8.081 -8.357 395 HA VAL 50 HA VAL 50 -1.709 -5.250 -7.986 396 HB VAL 50 HB VAL 50 -1.324 -6.013 -5.915 397 1HG1 VAL 50 1HG1 VAL 50 -0.492 -8.680 -7.043 398 2HG1 VAL 50 2HG1 VAL 50 -2.084 -8.256 -6.411 399 3HG1 VAL 50 3HG1 VAL 50 -0.692 -8.305 -5.331 400 1HG2 VAL 50 1HG2 VAL 50 1.331 -6.934 -7.001 401 2HG2 VAL 50 2HG2 VAL 50 0.971 -6.427 -5.350 402 3HG2 VAL 50 3HG2 VAL 50 0.917 -5.253 -6.666 403 H VAL 51 HN VAL 51 0.231 -7.970 -9.179 404 HA VAL 51 HA VAL 51 2.632 -6.700 -9.616 405 HB VAL 51 HB VAL 51 1.378 -8.759 -11.438 406 1HG1 VAL 51 1HG1 VAL 51 4.076 -9.216 -11.412 407 2HG1 VAL 51 2HG1 VAL 51 3.993 -7.454 -11.382 408 3HG1 VAL 51 3HG1 VAL 51 3.200 -8.350 -12.676 409 1HG2 VAL 51 1HG2 VAL 51 1.725 -9.141 -8.829 410 2HG2 VAL 51 2HG2 VAL 51 3.370 -9.482 -9.362 411 3HG2 VAL 51 3HG2 VAL 51 2.023 -10.414 -10.013 412 H ARG 52 HN ARG 52 -0.275 -6.622 -11.597 413 HA ARG 52 HA ARG 52 0.983 -5.121 -13.696 414 1HB ARG 52 HB2 ARG 52 -1.001 -6.684 -13.980 415 2HB ARG 52 HB1 ARG 52 -1.981 -5.429 -13.235 416 1HG ARG 52 HG2 ARG 52 -0.290 -4.686 -15.559 417 2HG ARG 52 HG1 ARG 52 -1.746 -5.640 -15.850 418 1HD ARG 52 HD2 ARG 52 -2.724 -3.610 -15.952 419 2HD ARG 52 HD1 ARG 52 -2.738 -3.765 -14.195 420 HE ARG 52 HE ARG 52 -1.338 -1.977 -14.121 421 1HH1 ARG 52 1HH1 ARG 52 -0.911 -3.544 -17.210 422 2HH1 ARG 52 2HH1 ARG 52 0.235 -2.381 -17.783 423 1HH2 ARG 52 1HH2 ARG 52 0.170 -0.446 -14.874 424 2HH2 ARG 52 2HH2 ARG 52 0.850 -0.621 -16.457 425 H GLU 53 HN GLU 53 -1.362 -4.404 -11.138 426 HA GLU 53 HA GLU 53 -1.623 -1.657 -11.699 427 1HB GLU 53 HB2 GLU 53 -3.308 -2.620 -10.371 428 2HB GLU 53 HB1 GLU 53 -2.151 -3.347 -9.267 429 1HG GLU 53 HG2 GLU 53 -3.229 -1.545 -8.147 430 2HG GLU 53 HG1 GLU 53 -1.564 -1.069 -8.472 431 H LEU 54 HN LEU 54 0.802 -3.485 -10.029 432 HA LEU 54 HA LEU 54 1.912 -1.564 -8.361 433 1HB LEU 54 HB2 LEU 54 2.569 -4.140 -9.211 434 2HB LEU 54 HB1 LEU 54 3.948 -3.160 -9.667 435 HG LEU 54 HG LEU 54 4.380 -2.532 -7.430 436 1HD1 LEU 54 1HD1 LEU 54 2.605 -3.734 -5.736 437 2HD1 LEU 54 2HD1 LEU 54 1.556 -3.178 -7.041 438 3HD1 LEU 54 3HD1 LEU 54 2.588 -2.028 -6.186 439 1HD2 LEU 54 1HD2 LEU 54 5.356 -4.543 -7.381 440 2HD2 LEU 54 2HD2 LEU 54 3.942 -5.352 -8.057 441 3HD2 LEU 54 3HD2 LEU 54 4.015 -4.999 -6.331 442 H GLN 55 HN GLN 55 2.524 -2.189 -11.797 443 HA GLN 55 HA GLN 55 4.543 -0.255 -12.136 444 1HB GLN 55 HB2 GLN 55 2.989 -1.995 -13.810 445 2HB GLN 55 HB1 GLN 55 3.004 -0.388 -14.521 446 1HG GLN 55 HG2 GLN 55 4.890 -1.166 -15.470 447 2HG GLN 55 HG1 GLN 55 5.598 -0.609 -13.955 448 1HE2 GLN 55 1HE2 GLN 55 4.839 -2.553 -12.213 449 2HE2 GLN 55 2HE2 GLN 55 5.559 -4.060 -12.654 450 H GLU 56 HN GLU 56 1.067 -0.096 -12.015 451 HA GLU 56 HA GLU 56 0.866 2.613 -12.946 452 1HB GLU 56 HB2 GLU 56 -0.913 0.615 -12.811 453 2HB GLU 56 HB1 GLU 56 -1.291 1.412 -11.294 454 1HG GLU 56 HG2 GLU 56 -1.065 3.211 -13.595 455 2HG GLU 56 HG1 GLU 56 -2.381 2.042 -13.693 456 H GLU 57 HN GLU 57 1.389 1.027 -9.894 457 HA GLU 57 HA GLU 57 0.955 3.576 -8.503 458 1HB GLU 57 HB2 GLU 57 1.211 0.838 -7.265 459 2HB GLU 57 HB1 GLU 57 0.690 2.318 -6.471 460 1HG GLU 57 HG2 GLU 57 -0.796 1.070 -8.763 461 2HG GLU 57 HG1 GLU 57 -1.130 0.701 -7.073 462 H VAL 58 HN VAL 58 3.441 2.101 -9.923 463 HA VAL 58 HA VAL 58 5.349 3.146 -7.953 464 HB VAL 58 HB VAL 58 5.798 0.567 -9.466 465 1HG1 VAL 58 1HG1 VAL 58 7.931 1.083 -9.027 466 2HG1 VAL 58 2HG1 VAL 58 7.547 0.638 -7.364 467 3HG1 VAL 58 3HG1 VAL 58 7.486 2.329 -7.860 468 1HG2 VAL 58 1HG2 VAL 58 5.806 -0.016 -6.768 469 2HG2 VAL 58 2HG2 VAL 58 4.527 -0.405 -7.917 470 3HG2 VAL 58 3HG2 VAL 58 4.431 1.072 -6.959 471 H GLY 59 HN GLY 59 4.802 1.997 -11.244 472 1HA GLY 59 HA2 GLY 59 5.466 2.825 -13.256 473 2HA GLY 59 HA1 GLY 59 5.884 4.306 -12.438 474 H ILE 60 HN ILE 60 7.847 3.251 -10.752 475 HA ILE 60 HA ILE 60 10.059 3.198 -12.549 476 HB ILE 60 HB ILE 60 11.185 2.626 -10.154 477 1HG1 ILE 60 2HG1 ILE 60 9.114 4.581 -9.302 478 2HG1 ILE 60 1HG1 ILE 60 8.740 2.863 -9.237 479 1HG2 ILE 60 1HG2 ILE 60 10.494 5.464 -10.685 480 2HG2 ILE 60 2HG2 ILE 60 11.427 4.572 -11.887 481 3HG2 ILE 60 3HG2 ILE 60 12.042 4.744 -10.242 482 1HD1 ILE 60 1HD1 ILE 60 9.543 3.384 -7.114 483 2HD1 ILE 60 2HD1 ILE 60 10.867 4.353 -7.760 484 3HD1 ILE 60 3HD1 ILE 60 10.895 2.599 -7.928 485 H THR 61 HN THR 61 11.923 1.608 -11.679 486 HA THR 61 HA THR 61 10.815 -1.104 -11.888 487 HB THR 61 HB THR 61 13.376 -1.367 -12.622 488 HG1 THR 61 HG1 THR 61 14.049 0.424 -13.762 489 1HG2 THR 61 1HG2 THR 61 12.728 -1.280 -14.925 490 2HG2 THR 61 2HG2 THR 61 11.329 -0.278 -14.532 491 3HG2 THR 61 3HG2 THR 61 11.391 -1.959 -13.997 492 HA PRO 62 HA PRO 62 13.112 -1.190 -7.946 493 1HB PRO 62 HB2 PRO 62 11.119 -1.243 -6.272 494 2HB PRO 62 HB1 PRO 62 11.295 0.179 -7.310 495 1HG PRO 62 HG2 PRO 62 9.366 -2.085 -7.532 496 2HG PRO 62 HG1 PRO 62 9.128 -0.367 -7.896 497 1HD PRO 62 HD2 PRO 62 9.880 -2.468 -9.712 498 2HD PRO 62 HD1 PRO 62 9.670 -0.743 -10.055 499 H GLN 63 HN GLN 63 13.764 -2.941 -6.679 500 HA GLN 63 HA GLN 63 12.760 -5.546 -7.395 501 1HB GLN 63 HB2 GLN 63 14.816 -4.548 -5.433 502 2HB GLN 63 HB1 GLN 63 14.278 -6.223 -5.397 503 1HG GLN 63 HG2 GLN 63 14.940 -6.415 -7.781 504 2HG GLN 63 HG1 GLN 63 15.611 -4.792 -7.676 505 1HE2 GLN 63 1HE2 GLN 63 16.699 -4.953 -5.099 506 2HE2 GLN 63 2HE2 GLN 63 18.029 -6.053 -5.134 507 H HIS 64 HN HIS 64 10.622 -5.073 -6.935 508 HA HIS 64 HA HIS 64 9.902 -5.061 -4.082 509 1HB HIS 64 HB2 HIS 64 9.218 -2.974 -4.918 510 2HB HIS 64 HB1 HIS 64 8.833 -3.643 -6.472 511 HD1 HIS 64 HD1 HIS 64 7.302 -5.375 -3.581 512 HD2 HIS 64 HD2 HIS 64 6.308 -2.359 -6.254 513 HE1 HIS 64 HE1 HIS 64 4.817 -5.083 -3.368 514 HE2 HIS 64 HE2 HIS 64 4.277 -3.125 -4.853 515 H PHE 65 HN PHE 65 8.732 -6.742 -3.391 516 HA PHE 65 HA PHE 65 6.703 -8.029 -4.839 517 1HB PHE 65 HB2 PHE 65 8.974 -8.686 -5.995 518 2HB PHE 65 HB1 PHE 65 9.083 -9.789 -4.637 519 HD1 PHE 65 HD1 PHE 65 6.257 -8.703 -6.806 520 HD2 PHE 65 HD2 PHE 65 8.599 -11.938 -5.338 521 HE1 PHE 65 HE1 PHE 65 4.810 -10.289 -8.007 522 HE2 PHE 65 HE2 PHE 65 7.157 -13.531 -6.538 523 HZ PHE 65 HZ PHE 65 5.260 -12.705 -7.876 524 H SER 66 HN SER 66 6.253 -10.296 -3.844 525 HA SER 66 HA SER 66 5.958 -11.679 -2.051 526 1HB SER 66 HB2 SER 66 8.434 -11.125 -1.578 527 2HB SER 66 HB1 SER 66 7.810 -9.987 -0.385 528 HG SER 66 HG SER 66 7.040 -12.709 -0.440 529 H LEU 67 HN LEU 67 4.930 -11.649 0.110 530 HA LEU 67 HA LEU 67 3.551 -9.099 0.592 531 1HB LEU 67 HB2 LEU 67 1.502 -10.200 0.963 532 2HB LEU 67 HB1 LEU 67 2.150 -10.868 -0.522 533 HG LEU 67 HG LEU 67 3.113 -12.639 1.323 534 1HD1 LEU 67 1HD1 LEU 67 0.344 -11.872 2.231 535 2HD1 LEU 67 2HD1 LEU 67 1.832 -11.523 3.111 536 3HD1 LEU 67 3HD1 LEU 67 1.332 -13.194 2.851 537 1HD2 LEU 67 1HD2 LEU 67 2.063 -13.228 -0.777 538 2HD2 LEU 67 2HD2 LEU 67 0.488 -12.728 -0.161 539 3HD2 LEU 67 3HD2 LEU 67 1.307 -14.122 0.542 540 H PHE 68 HN PHE 68 3.614 -8.331 2.597 541 HA PHE 68 HA PHE 68 5.071 -9.768 4.609 542 1HB PHE 68 HB2 PHE 68 5.412 -7.727 5.486 543 2HB PHE 68 HB1 PHE 68 4.590 -7.088 4.071 544 HD1 PHE 68 HD1 PHE 68 4.422 -7.650 7.639 545 HD2 PHE 68 HD2 PHE 68 2.197 -6.483 4.206 546 HE1 PHE 68 HE1 PHE 68 2.699 -6.667 9.094 547 HE2 PHE 68 HE2 PHE 68 0.471 -5.498 5.655 548 HZ PHE 68 HZ PHE 68 0.722 -5.583 8.103 549 H GLU 69 HN GLU 69 1.746 -8.716 4.119 550 HA GLU 69 HA GLU 69 0.620 -10.935 5.455 551 1HB GLU 69 HB2 GLU 69 1.025 -8.436 7.015 552 2HB GLU 69 HB1 GLU 69 -0.534 -9.231 7.181 553 1HG GLU 69 HG2 GLU 69 1.201 -11.320 7.454 554 2HG GLU 69 HG1 GLU 69 2.087 -9.995 8.210 555 H LYS 70 HN LYS 70 -1.411 -11.207 4.662 556 HA LYS 70 HA LYS 70 -2.587 -8.910 3.239 557 1HB LYS 70 HB2 LYS 70 -3.834 -10.620 1.927 558 2HB LYS 70 HB1 LYS 70 -2.087 -10.739 1.753 559 1HG LYS 70 HG2 LYS 70 -1.996 -12.774 2.704 560 2HG LYS 70 HG1 LYS 70 -3.259 -12.400 3.879 561 1HD LYS 70 HD2 LYS 70 -4.905 -13.183 2.548 562 2HD LYS 70 HD1 LYS 70 -4.150 -12.566 1.078 563 1HE LYS 70 HE2 LYS 70 -3.035 -14.489 0.686 564 2HE LYS 70 HE1 LYS 70 -2.732 -14.782 2.398 565 1HZ LYS 70 HZ1 LYS 70 -5.493 -15.036 1.529 566 2HZ LYS 70 HZ2 LYS 70 -4.608 -15.982 2.616 567 3HZ LYS 70 HZ3 LYS 70 -4.428 -16.217 0.951 568 H LEU 71 HN LEU 71 -4.538 -8.148 3.808 569 HA LEU 71 HA LEU 71 -6.002 -9.574 5.921 570 1HB LEU 71 HB2 LEU 71 -5.229 -7.430 6.666 571 2HB LEU 71 HB1 LEU 71 -5.844 -6.646 5.225 572 HG LEU 71 HG LEU 71 -8.137 -7.672 6.197 573 1HD1 LEU 71 1HD1 LEU 71 -7.354 -8.631 8.180 574 2HD1 LEU 71 2HD1 LEU 71 -8.054 -7.092 8.680 575 3HD1 LEU 71 3HD1 LEU 71 -6.304 -7.258 8.533 576 1HD2 LEU 71 1HD2 LEU 71 -8.318 -5.468 5.728 577 2HD2 LEU 71 2HD2 LEU 71 -6.750 -5.077 6.433 578 3HD2 LEU 71 3HD2 LEU 71 -8.151 -5.316 7.477 579 H GLU 72 HN GLU 72 -8.132 -10.083 5.642 580 HA GLU 72 HA GLU 72 -9.463 -9.127 3.207 581 1HB GLU 72 HB2 GLU 72 -8.846 -11.240 2.477 582 2HB GLU 72 HB1 GLU 72 -8.982 -11.949 4.078 583 1HG GLU 72 HG2 GLU 72 -11.313 -12.092 3.938 584 2HG GLU 72 HG1 GLU 72 -11.382 -10.998 2.557 585 H TYR 73 HN TYR 73 -11.131 -7.975 3.922 586 HA TYR 73 HA TYR 73 -12.976 -9.212 5.825 587 1HB TYR 73 HB2 TYR 73 -13.176 -7.207 7.161 588 2HB TYR 73 HB1 TYR 73 -11.484 -7.689 7.116 589 HD1 TYR 73 HD1 TYR 73 -13.560 -4.946 7.016 590 HD2 TYR 73 HD2 TYR 73 -10.206 -6.578 4.970 591 HE1 TYR 73 HE1 TYR 73 -12.949 -2.696 6.234 592 HE2 TYR 73 HE2 TYR 73 -9.587 -4.335 4.183 593 HH TYR 73 HH TYR 73 -11.679 -1.634 4.490 594 H GLU 74 HN GLU 74 -15.135 -8.593 5.565 595 HA GLU 74 HA GLU 74 -15.662 -6.895 3.215 596 1HB GLU 74 HB2 GLU 74 -17.782 -8.340 2.993 597 2HB GLU 74 HB1 GLU 74 -16.252 -9.020 2.460 598 1HG GLU 74 HG2 GLU 74 -16.140 -10.035 4.824 599 2HG GLU 74 HG1 GLU 74 -17.864 -9.677 4.890 600 H PHE 75 HN PHE 75 -17.093 -5.307 3.416 601 HA PHE 75 HA PHE 75 -18.283 -4.849 6.029 602 1HB PHE 75 HB2 PHE 75 -17.395 -3.186 3.767 603 2HB PHE 75 HB1 PHE 75 -18.878 -2.646 4.529 604 HD1 PHE 75 HD1 PHE 75 -18.224 -3.489 7.369 605 HD2 PHE 75 HD2 PHE 75 -15.937 -1.474 4.395 606 HE1 PHE 75 HE1 PHE 75 -16.900 -2.400 9.129 607 HE2 PHE 75 HE2 PHE 75 -14.609 -0.384 6.155 608 HZ PHE 75 HZ PHE 75 -15.089 -0.846 8.525 609 HA PRO 76 HA PRO 76 -22.488 -5.700 5.056 610 1HB PRO 76 HB2 PRO 76 -23.719 -3.236 5.496 611 2HB PRO 76 HB1 PRO 76 -23.406 -4.467 6.722 612 1HG PRO 76 HG2 PRO 76 -21.861 -2.005 6.068 613 2HG PRO 76 HG1 PRO 76 -22.163 -2.759 7.643 614 1HD PRO 76 HD2 PRO 76 -19.800 -2.993 6.398 615 2HD PRO 76 HD1 PRO 76 -20.478 -4.326 7.353 616 H ASP 77 HN ASP 77 -21.873 -5.932 2.819 617 HA ASP 77 HA ASP 77 -22.761 -5.744 0.679 618 1HB ASP 77 HB2 ASP 77 -24.418 -4.009 1.771 619 2HB ASP 77 HB1 ASP 77 -23.365 -2.832 0.992 620 H ARG 78 HN ARG 78 -20.155 -4.571 2.067 621 HA ARG 78 HA ARG 78 -19.029 -3.659 -0.481 622 1HB ARG 78 HB2 ARG 78 -19.596 -1.760 1.207 623 2HB ARG 78 HB1 ARG 78 -18.187 -2.342 2.082 624 1HG ARG 78 HG2 ARG 78 -17.447 -2.067 -0.635 625 2HG ARG 78 HG1 ARG 78 -18.303 -0.599 -0.159 626 1HD ARG 78 HD2 ARG 78 -16.725 -0.921 1.990 627 2HD ARG 78 HD1 ARG 78 -15.709 -1.678 0.764 628 HE ARG 78 HE ARG 78 -16.736 0.894 -0.008 629 1HH1 ARG 78 1HH1 ARG 78 -14.170 -0.780 1.664 630 2HH1 ARG 78 2HH1 ARG 78 -13.032 0.510 1.469 631 1HH2 ARG 78 1HH2 ARG 78 -15.238 2.591 -0.267 632 2HH2 ARG 78 2HH2 ARG 78 -13.638 2.423 0.373 633 H HIS 79 HN HIS 79 -17.943 -5.591 -0.790 634 HA HIS 79 HA HIS 79 -16.308 -6.707 1.313 635 1HB HIS 79 HB2 HIS 79 -17.462 -8.187 -0.268 636 2HB HIS 79 HB1 HIS 79 -16.562 -7.475 -1.603 637 HD1 HIS 79 HD1 HIS 79 -14.571 -8.066 1.431 638 HD2 HIS 79 HD2 HIS 79 -15.560 -10.142 -2.030 639 HE1 HIS 79 HE1 HIS 79 -12.941 -9.977 1.305 640 HE2 HIS 79 HE2 HIS 79 -13.617 -11.270 -0.748 641 H ILE 80 HN ILE 80 -14.655 -5.325 1.810 642 HA ILE 80 HA ILE 80 -12.957 -4.356 -0.357 643 HB ILE 80 HB ILE 80 -13.546 -2.601 1.113 644 1HG1 ILE 80 2HG1 ILE 80 -10.858 -3.415 2.178 645 2HG1 ILE 80 1HG1 ILE 80 -11.069 -2.928 0.501 646 1HG2 ILE 80 1HG2 ILE 80 -12.837 -4.491 3.341 647 2HG2 ILE 80 2HG2 ILE 80 -14.398 -3.750 2.995 648 3HG2 ILE 80 3HG2 ILE 80 -13.062 -2.760 3.582 649 1HD1 ILE 80 1HD1 ILE 80 -11.178 -0.765 1.030 650 2HD1 ILE 80 2HD1 ILE 80 -10.489 -1.260 2.577 651 3HD1 ILE 80 3HD1 ILE 80 -12.233 -1.061 2.412 652 H THR 81 HN THR 81 -11.354 -5.666 -0.921 653 HA THR 81 HA THR 81 -10.122 -7.412 1.082 654 HB THR 81 HB THR 81 -8.943 -7.881 -1.423 655 HG1 THR 81 HG1 THR 81 -10.797 -8.173 -2.739 656 1HG2 THR 81 1HG2 THR 81 -10.866 -9.777 -1.329 657 2HG2 THR 81 2HG2 THR 81 -10.783 -9.287 0.364 658 3HG2 THR 81 3HG2 THR 81 -9.333 -9.858 -0.461 659 H LEU 82 HN LEU 82 -8.317 -6.736 2.060 660 HA LEU 82 HA LEU 82 -6.688 -4.699 0.705 661 1HB LEU 82 HB2 LEU 82 -7.106 -5.395 3.592 662 2HB LEU 82 HB1 LEU 82 -5.710 -4.465 3.082 663 HG LEU 82 HG LEU 82 -8.579 -3.655 2.610 664 1HD1 LEU 82 1HD1 LEU 82 -8.391 -2.170 4.414 665 2HD1 LEU 82 2HD1 LEU 82 -6.646 -2.400 4.530 666 3HD1 LEU 82 3HD1 LEU 82 -7.740 -3.694 5.014 667 1HD2 LEU 82 1HD2 LEU 82 -6.005 -2.664 1.648 668 2HD2 LEU 82 2HD2 LEU 82 -7.002 -1.425 2.410 669 3HD2 LEU 82 3HD2 LEU 82 -7.636 -2.355 1.053 670 H TRP 83 HN TRP 83 -4.942 -5.435 -0.283 671 HA TRP 83 HA TRP 83 -3.552 -7.781 0.835 672 1HB TRP 83 HB2 TRP 83 -3.181 -6.597 -1.924 673 2HB TRP 83 HB1 TRP 83 -2.605 -8.152 -1.344 674 HD1 TRP 83 HD1 TRP 83 -5.994 -8.100 -0.122 675 HE1 TRP 83 HE1 TRP 83 -7.617 -9.249 -1.745 676 HE3 TRP 83 HE3 TRP 83 -3.035 -8.204 -4.289 677 HZ2 TRP 83 HZ2 TRP 83 -7.650 -10.087 -4.438 678 HZ3 TRP 83 HZ3 TRP 83 -3.941 -9.197 -6.349 679 HH2 TRP 83 HH2 TRP 83 -6.201 -10.118 -6.421 680 H PHE 84 HN PHE 84 -1.675 -7.376 1.887 681 HA PHE 84 HA PHE 84 -0.290 -4.856 1.253 682 1HB PHE 84 HB2 PHE 84 -0.676 -6.308 3.839 683 2HB PHE 84 HB1 PHE 84 0.767 -5.330 3.619 684 HD1 PHE 84 HD1 PHE 84 0.372 -3.602 5.177 685 HD2 PHE 84 HD2 PHE 84 -2.622 -4.603 2.315 686 HE1 PHE 84 HE1 PHE 84 -0.911 -1.610 5.820 687 HE2 PHE 84 HE2 PHE 84 -3.905 -2.608 2.957 688 HZ PHE 84 HZ PHE 84 -3.052 -1.111 4.713 689 H TRP 85 HN TRP 85 1.380 -5.243 -0.045 690 HA TRP 85 HA TRP 85 2.820 -7.765 0.168 691 1HB TRP 85 HB2 TRP 85 2.794 -5.590 -1.913 692 2HB TRP 85 HB1 TRP 85 3.959 -6.912 -1.948 693 HD1 TRP 85 HD1 TRP 85 0.111 -6.870 -1.390 694 HE1 TRP 85 HE1 TRP 85 -0.929 -8.632 -2.946 695 HE3 TRP 85 HE3 TRP 85 4.353 -8.494 -3.730 696 HZ2 TRP 85 HZ2 TRP 85 -0.065 -10.473 -4.908 697 HZ3 TRP 85 HZ3 TRP 85 4.163 -10.259 -5.433 698 HH2 TRP 85 HH2 TRP 85 1.996 -11.227 -6.010 699 H LEU 86 HN LEU 86 5.073 -7.924 0.431 700 HA LEU 86 HA LEU 86 6.218 -5.657 1.891 701 1HB LEU 86 HB2 LEU 86 6.189 -7.718 3.110 702 2HB LEU 86 HB1 LEU 86 6.965 -8.570 1.790 703 HG LEU 86 HG LEU 86 9.003 -7.184 2.156 704 1HD1 LEU 86 1HD1 LEU 86 7.887 -5.272 3.222 705 2HD1 LEU 86 2HD1 LEU 86 9.217 -5.897 4.196 706 3HD1 LEU 86 3HD1 LEU 86 7.551 -6.272 4.634 707 1HD2 LEU 86 1HD2 LEU 86 9.176 -9.292 3.093 708 2HD2 LEU 86 2HD2 LEU 86 7.902 -8.986 4.272 709 3HD2 LEU 86 3HD2 LEU 86 9.486 -8.239 4.473 710 H VAL 87 HN VAL 87 7.202 -4.319 0.515 711 HA VAL 87 HA VAL 87 8.736 -5.230 -1.767 712 HB VAL 87 HB VAL 87 8.563 -2.465 -0.635 713 1HG1 VAL 87 1HG1 VAL 87 8.860 -2.079 -3.245 714 2HG1 VAL 87 2HG1 VAL 87 9.670 -3.637 -3.106 715 3HG1 VAL 87 3HG1 VAL 87 10.230 -2.269 -2.153 716 1HG2 VAL 87 1HG2 VAL 87 6.918 -2.673 -2.897 717 2HG2 VAL 87 2HG2 VAL 87 6.403 -2.465 -1.221 718 3HG2 VAL 87 3HG2 VAL 87 6.553 -4.088 -1.906 719 H GLU 88 HN GLU 88 10.977 -5.042 -2.040 720 HA GLU 88 HA GLU 88 12.350 -4.597 0.524 721 1HB GLU 88 HB2 GLU 88 14.051 -6.173 -0.137 722 2HB GLU 88 HB1 GLU 88 12.467 -6.914 -0.310 723 1HG GLU 88 HG2 GLU 88 13.643 -5.591 -2.687 724 2HG GLU 88 HG1 GLU 88 14.335 -7.126 -2.164 725 H ARG 89 HN ARG 89 12.326 -3.520 -2.804 726 HA ARG 89 HA ARG 89 14.166 -1.435 -2.121 727 1HB ARG 89 HB2 ARG 89 15.923 -2.899 -2.509 728 2HB ARG 89 HB1 ARG 89 15.067 -3.755 -3.779 729 1HG ARG 89 HG2 ARG 89 15.420 -1.920 -5.309 730 2HG ARG 89 HG1 ARG 89 16.175 -0.966 -4.029 731 1HD ARG 89 HD2 ARG 89 17.635 -3.271 -3.954 732 2HD ARG 89 HD1 ARG 89 17.281 -3.124 -5.674 733 HE ARG 89 HE ARG 89 18.934 -1.360 -4.066 734 1HH1 ARG 89 1HH1 ARG 89 17.292 -1.875 -7.106 735 2HH1 ARG 89 2HH1 ARG 89 18.264 -0.730 -7.964 736 1HH2 ARG 89 1HH2 ARG 89 20.206 0.148 -5.197 737 2HH2 ARG 89 2HH2 ARG 89 19.916 0.420 -6.883 738 H TRP 90 HN TRP 90 14.543 0.075 -3.962 739 HA TRP 90 HA TRP 90 12.893 -0.239 -6.273 740 1HB TRP 90 HB2 TRP 90 11.191 1.241 -5.859 741 2HB TRP 90 HB1 TRP 90 11.460 0.635 -4.236 742 HD1 TRP 90 HD1 TRP 90 12.624 3.658 -6.387 743 HE1 TRP 90 HE1 TRP 90 12.738 5.709 -4.838 744 HE3 TRP 90 HE3 TRP 90 11.421 1.392 -1.967 745 HZ2 TRP 90 HZ2 TRP 90 12.356 6.290 -2.107 746 HZ3 TRP 90 HZ3 TRP 90 11.306 2.774 0.069 747 HH2 TRP 90 HH2 TRP 90 11.768 5.171 -0.002 748 H GLU 91 HN GLU 91 13.863 0.649 -7.968 749 HA GLU 91 HA GLU 91 16.199 2.270 -7.577 750 1HB GLU 91 HB2 GLU 91 14.753 1.233 -10.004 751 2HB GLU 91 HB1 GLU 91 16.104 2.349 -10.150 752 1HG GLU 91 HG2 GLU 91 17.574 0.784 -9.061 753 2HG GLU 91 HG1 GLU 91 16.229 -0.315 -8.758 754 H GLY 92 HN GLY 92 16.558 4.384 -8.389 755 1HA GLY 92 HA2 GLY 92 16.019 6.608 -8.581 756 2HA GLY 92 HA1 GLY 92 14.726 6.048 -9.630 757 H GLU 93 HN GLU 93 12.974 7.162 -9.047 758 HA GLU 93 HA GLU 93 12.276 7.208 -6.186 759 1HB GLU 93 HB2 GLU 93 12.848 9.439 -7.272 760 2HB GLU 93 HB1 GLU 93 11.377 9.248 -8.215 761 1HG GLU 93 HG2 GLU 93 10.005 9.504 -6.376 762 2HG GLU 93 HG1 GLU 93 11.278 9.064 -5.238 763 HA PRO 94 HA PRO 94 8.572 5.080 -7.383 764 1HB PRO 94 HB2 PRO 94 7.205 6.046 -5.023 765 2HB PRO 94 HB1 PRO 94 7.867 4.440 -5.325 766 1HG PRO 94 HG2 PRO 94 8.885 6.166 -3.473 767 2HG PRO 94 HG1 PRO 94 9.848 4.922 -4.291 768 1HD PRO 94 HD2 PRO 94 9.642 7.853 -4.879 769 2HD PRO 94 HD1 PRO 94 11.078 6.805 -4.859 770 H TRP 95 HN TRP 95 6.999 5.672 -8.776 771 HA TRP 95 HA TRP 95 5.602 8.178 -8.231 772 1HB TRP 95 HB2 TRP 95 5.664 8.737 -10.676 773 2HB TRP 95 HB1 TRP 95 7.204 8.867 -9.844 774 HD1 TRP 95 HD1 TRP 95 9.138 7.209 -10.587 775 HE1 TRP 95 HE1 TRP 95 9.478 5.763 -12.696 776 HE3 TRP 95 HE3 TRP 95 4.336 7.170 -12.312 777 HZ2 TRP 95 HZ2 TRP 95 7.911 4.770 -14.819 778 HZ3 TRP 95 HZ3 TRP 95 3.837 5.961 -14.394 779 HH2 TRP 95 HH2 TRP 95 5.588 4.775 -15.615 780 H GLY 96 HN GLY 96 5.628 5.511 -10.595 781 1HA GLY 96 HA2 GLY 96 3.880 4.340 -11.542 782 2HA GLY 96 HA1 GLY 96 3.227 4.349 -9.914 783 H LYS 97 HN LYS 97 1.585 5.747 -9.375 784 HA LYS 97 HA LYS 97 0.675 7.996 -10.601 785 1HB LYS 97 HB2 LYS 97 0.217 5.696 -12.297 786 2HB LYS 97 HB1 LYS 97 -1.309 6.445 -11.848 787 1HG LYS 97 HG2 LYS 97 1.023 7.919 -13.051 788 2HG LYS 97 HG1 LYS 97 -0.358 7.305 -13.962 789 1HD LYS 97 HD2 LYS 97 -1.855 8.709 -12.615 790 2HD LYS 97 HD1 LYS 97 -0.463 9.333 -11.727 791 1HE LYS 97 HE2 LYS 97 -0.306 9.534 -14.664 792 2HE LYS 97 HE1 LYS 97 -1.540 10.532 -13.894 793 1HZ LYS 97 HZ1 LYS 97 1.356 10.735 -13.769 794 2HZ LYS 97 HZ2 LYS 97 0.537 11.028 -12.317 795 3HZ LYS 97 HZ3 LYS 97 0.179 11.949 -13.690 796 H GLU 98 HN GLU 98 0.645 6.610 -8.074 797 HA GLU 98 HA GLU 98 -1.950 5.722 -7.397 798 1HB GLU 98 HB2 GLU 98 -0.196 7.019 -5.355 799 2HB GLU 98 HB1 GLU 98 -1.180 5.570 -5.225 800 1HG GLU 98 HG2 GLU 98 0.636 4.365 -5.530 801 2HG GLU 98 HG1 GLU 98 0.767 5.003 -7.156 802 H GLY 99 HN GLY 99 -0.424 8.876 -7.464 803 1HA GLY 99 HA2 GLY 99 -1.588 10.900 -7.759 804 2HA GLY 99 HA1 GLY 99 -3.057 10.111 -7.211 805 H GLN 100 HN GLN 100 -0.201 9.682 -5.311 806 HA GLN 100 HA GLN 100 -0.970 11.857 -3.508 807 1HB GLN 100 HB2 GLN 100 -0.992 8.934 -2.867 808 2HB GLN 100 HB1 GLN 100 -0.553 10.085 -1.613 809 1HG GLN 100 HG2 GLN 100 -2.813 9.823 -1.278 810 2HG GLN 100 HG1 GLN 100 -2.747 11.278 -2.272 811 1HE2 GLN 100 1HE2 GLN 100 -2.807 7.759 -2.758 812 2HE2 GLN 100 2HE2 GLN 100 -4.003 7.782 -4.005 813 HA PRO 101 HA PRO 101 3.539 12.190 -4.282 814 1HB PRO 101 HB2 PRO 101 2.742 14.443 -2.469 815 2HB PRO 101 HB1 PRO 101 3.890 14.452 -3.815 816 1HG PRO 101 HG2 PRO 101 1.468 15.435 -4.163 817 2HG PRO 101 HG1 PRO 101 2.189 14.406 -5.417 818 1HD PRO 101 HD2 PRO 101 0.052 13.771 -3.442 819 2HD PRO 101 HD1 PRO 101 0.275 13.173 -5.099 820 H GLY 102 HN GLY 102 5.063 11.223 -3.061 821 1HA GLY 102 HA2 GLY 102 4.715 11.232 -0.133 822 2HA GLY 102 HA1 GLY 102 5.054 9.734 -0.982 823 H GLU 103 HN GLU 103 6.759 10.194 0.909 824 HA GLU 103 HA GLU 103 9.214 10.908 -0.496 825 1HB GLU 103 HB2 GLU 103 10.031 12.290 1.342 826 2HB GLU 103 HB1 GLU 103 8.545 12.963 0.685 827 1HG GLU 103 HG2 GLU 103 8.154 11.117 2.923 828 2HG GLU 103 HG1 GLU 103 9.057 12.578 3.322 829 H TRP 104 HN TRP 104 11.145 10.045 0.567 830 HA TRP 104 HA TRP 104 10.666 7.443 1.627 831 1HB TRP 104 HB2 TRP 104 13.365 8.702 1.896 832 2HB TRP 104 HB1 TRP 104 12.942 7.067 1.407 833 HD1 TRP 104 HD1 TRP 104 10.919 8.153 -0.992 834 HE1 TRP 104 HE1 TRP 104 12.030 8.952 -3.172 835 HE3 TRP 104 HE3 TRP 104 15.635 9.037 0.775 836 HZ2 TRP 104 HZ2 TRP 104 14.568 9.838 -4.029 837 HZ3 TRP 104 HZ3 TRP 104 17.346 9.859 -0.790 838 HH2 TRP 104 HH2 TRP 104 16.822 10.250 -3.143 839 H MET 105 HN MET 105 9.835 7.224 3.603 840 HA MET 105 HA MET 105 11.064 8.758 5.801 841 1HB MET 105 HB2 MET 105 8.278 7.653 5.952 842 2HB MET 105 HB1 MET 105 9.007 8.936 6.903 843 1HG MET 105 HG2 MET 105 8.172 10.450 5.535 844 2HG MET 105 HG1 MET 105 9.054 9.740 4.186 845 1HE MET 105 HE1 MET 105 5.842 7.635 5.939 846 2HE MET 105 HE2 MET 105 4.792 8.994 5.536 847 3HE MET 105 HE3 MET 105 6.219 9.249 6.540 848 H SER 106 HN SER 106 10.946 7.665 7.931 849 HA SER 106 HA SER 106 11.897 4.964 7.682 850 1HB SER 106 HB2 SER 106 12.640 6.855 9.350 851 2HB SER 106 HB1 SER 106 11.311 6.237 10.331 852 HG SER 106 HG SER 106 12.985 5.017 10.952 853 H LEU 107 HN LEU 107 10.583 3.280 7.538 854 HA LEU 107 HA LEU 107 7.838 3.426 8.396 855 1HB LEU 107 HB2 LEU 107 8.907 2.163 6.361 856 2HB LEU 107 HB1 LEU 107 9.157 0.887 7.534 857 HG LEU 107 HG LEU 107 7.084 0.654 6.158 858 1HD1 LEU 107 1HD1 LEU 107 6.087 0.956 8.913 859 2HD1 LEU 107 2HD1 LEU 107 7.526 -0.044 8.713 860 3HD1 LEU 107 3HD1 LEU 107 6.049 -0.438 7.833 861 1HD2 LEU 107 1HD2 LEU 107 6.708 3.267 6.479 862 2HD2 LEU 107 2HD2 LEU 107 5.737 2.691 7.833 863 3HD2 LEU 107 3HD2 LEU 107 5.375 2.149 6.196 864 H VAL 108 HN VAL 108 10.804 2.374 9.762 865 HA VAL 108 HA VAL 108 10.060 0.318 11.447 866 HB VAL 108 HB VAL 108 12.379 1.082 11.187 867 1HG1 VAL 108 1HG1 VAL 108 13.197 3.090 11.921 868 2HG1 VAL 108 2HG1 VAL 108 11.948 3.275 13.153 869 3HG1 VAL 108 3HG1 VAL 108 11.564 3.569 11.457 870 1HG2 VAL 108 1HG2 VAL 108 11.280 -0.045 13.367 871 2HG2 VAL 108 2HG2 VAL 108 11.991 1.396 14.095 872 3HG2 VAL 108 3HG2 VAL 108 13.007 0.267 13.199 873 H GLY 109 HN GLY 109 9.096 3.626 11.572 874 1HA GLY 109 HA2 GLY 109 7.831 3.107 14.187 875 2HA GLY 109 HA1 GLY 109 8.566 4.656 13.810 876 H LEU 110 HN LEU 110 6.491 2.577 11.806 877 HA LEU 110 HA LEU 110 4.946 4.730 10.844 878 1HB LEU 110 HB2 LEU 110 5.179 2.511 9.731 879 2HB LEU 110 HB1 LEU 110 4.160 1.817 10.978 880 HG LEU 110 HG LEU 110 3.040 4.128 9.501 881 1HD1 LEU 110 1HD1 LEU 110 3.716 1.511 8.234 882 2HD1 LEU 110 2HD1 LEU 110 3.811 3.141 7.567 883 3HD1 LEU 110 3HD1 LEU 110 2.242 2.361 7.767 884 1HD2 LEU 110 1HD2 LEU 110 1.044 2.546 9.588 885 2HD2 LEU 110 2HD2 LEU 110 1.634 3.182 11.122 886 3HD2 LEU 110 3HD2 LEU 110 2.039 1.536 10.637 887 H ASN 111 HN ASN 111 2.775 5.346 11.341 888 HA ASN 111 HA ASN 111 1.914 4.513 14.022 889 1HB ASN 111 HB2 ASN 111 2.617 7.108 13.077 890 2HB ASN 111 HB1 ASN 111 0.904 7.101 13.474 891 1HD2 ASN 111 1HD2 ASN 111 0.339 6.195 15.616 892 2HD2 ASN 111 2HD2 ASN 111 1.406 6.518 16.935 893 H ALA 112 HN ALA 112 -0.063 3.825 14.298 894 HA ALA 112 HA ALA 112 -1.809 3.481 12.069 895 1HB ALA 112 HB1 ALA 112 -1.534 1.967 14.141 896 2HB ALA 112 HB2 ALA 112 -3.153 2.200 13.478 897 3HB ALA 112 HB3 ALA 112 -2.653 3.086 14.920 898 H ASP 113 HN ASP 113 -1.274 6.001 14.294 899 HA ASP 113 HA ASP 113 -3.944 7.052 14.349 900 1HB ASP 113 HB2 ASP 113 -2.292 7.413 16.179 901 2HB ASP 113 HB1 ASP 113 -1.356 8.429 15.086 902 H ASP 114 HN ASP 114 -0.912 8.030 12.733 903 HA ASP 114 HA ASP 114 -2.067 10.218 11.360 904 1HB ASP 114 HB2 ASP 114 0.119 9.285 9.826 905 2HB ASP 114 HB1 ASP 114 0.077 10.649 10.926 906 H PHE 115 HN PHE 115 -1.621 6.835 10.530 907 HA PHE 115 HA PHE 115 -2.578 7.193 7.833 908 1HB PHE 115 HB2 PHE 115 -1.773 5.100 7.489 909 2HB PHE 115 HB1 PHE 115 -1.004 5.311 9.063 910 HD1 PHE 115 HD1 PHE 115 -3.149 4.982 10.910 911 HD2 PHE 115 HD2 PHE 115 -2.400 2.887 7.299 912 HE1 PHE 115 HE1 PHE 115 -4.371 3.043 11.800 913 HE2 PHE 115 HE2 PHE 115 -3.620 0.942 8.172 914 HZ PHE 115 HZ PHE 115 -4.608 1.024 10.425 915 HA PRO 116 HA PRO 116 -6.891 6.421 8.471 916 1HB PRO 116 HB2 PRO 116 -7.580 4.426 6.769 917 2HB PRO 116 HB1 PRO 116 -7.168 6.053 6.215 918 1HG PRO 116 HG2 PRO 116 -5.478 3.585 6.270 919 2HG PRO 116 HG1 PRO 116 -5.622 4.815 5.003 920 1HD PRO 116 HD2 PRO 116 -3.560 4.745 6.769 921 2HD PRO 116 HD1 PRO 116 -4.170 6.253 6.059 922 HA PRO 117 HA PRO 117 -6.909 3.238 11.641 923 1HB PRO 117 HB2 PRO 117 -9.524 3.581 12.393 924 2HB PRO 117 HB1 PRO 117 -8.191 4.596 12.951 925 1HG PRO 117 HG2 PRO 117 -10.167 5.100 10.760 926 2HG PRO 117 HG1 PRO 117 -9.552 6.218 11.993 927 1HD PRO 117 HD2 PRO 117 -8.623 6.250 9.474 928 2HD PRO 117 HD1 PRO 117 -7.561 6.568 10.861 929 H ALA 118 HN ALA 118 -8.878 3.326 8.821 930 HA ALA 118 HA ALA 118 -10.345 0.934 9.295 931 1HB ALA 118 HB1 ALA 118 -9.917 2.735 6.980 932 2HB ALA 118 HB2 ALA 118 -11.418 2.192 7.731 933 3HB ALA 118 HB3 ALA 118 -10.522 1.108 6.666 934 H ASN 119 HN ASN 119 -7.110 1.435 8.617 935 HA ASN 119 HA ASN 119 -6.843 -1.277 7.493 936 1HB ASN 119 HB2 ASN 119 -5.619 1.309 6.801 937 2HB ASN 119 HB1 ASN 119 -4.501 -0.051 6.842 938 1HD2 ASN 119 1HD2 ASN 119 -7.894 0.208 5.850 939 2HD2 ASN 119 2HD2 ASN 119 -7.648 -0.375 4.244 940 H GLU 120 HN GLU 120 -6.949 -0.531 10.329 941 HA GLU 120 HA GLU 120 -4.282 -0.561 11.359 942 1HB GLU 120 HB2 GLU 120 -6.911 -0.175 12.400 943 2HB GLU 120 HB1 GLU 120 -6.097 -1.393 13.370 944 1HG GLU 120 HG2 GLU 120 -4.411 0.067 14.017 945 2HG GLU 120 HG1 GLU 120 -4.747 1.188 12.699 946 HA PRO 121 HA PRO 121 -5.755 -5.220 12.482 947 1HB PRO 121 HB2 PRO 121 -6.752 -5.583 9.682 948 2HB PRO 121 HB1 PRO 121 -7.256 -6.400 11.168 949 1HG PRO 121 HG2 PRO 121 -8.740 -4.451 10.130 950 2HG PRO 121 HG1 PRO 121 -8.533 -4.600 11.884 951 1HD PRO 121 HD2 PRO 121 -7.356 -2.628 10.000 952 2HD PRO 121 HD1 PRO 121 -7.766 -2.447 11.717 953 H VAL 122 HN VAL 122 -4.677 -4.024 9.335 954 HA VAL 122 HA VAL 122 -2.823 -6.177 8.925 955 HB VAL 122 HB VAL 122 -2.741 -3.524 7.503 956 1HG1 VAL 122 1HG1 VAL 122 -1.694 -6.265 7.031 957 2HG1 VAL 122 2HG1 VAL 122 -0.933 -4.698 6.758 958 3HG1 VAL 122 3HG1 VAL 122 -2.153 -5.294 5.633 959 1HG2 VAL 122 1HG2 VAL 122 -4.855 -5.533 7.449 960 2HG2 VAL 122 2HG2 VAL 122 -4.185 -5.178 5.857 961 3HG2 VAL 122 3HG2 VAL 122 -4.849 -3.876 6.845 962 H ILE 123 HN ILE 123 -2.645 -2.777 9.876 963 HA ILE 123 HA ILE 123 0.174 -2.702 10.141 964 HB ILE 123 HB ILE 123 -1.890 -0.932 11.457 965 1HG1 ILE 123 2HG1 ILE 123 -1.792 -1.112 8.877 966 2HG1 ILE 123 1HG1 ILE 123 -1.746 0.491 9.604 967 1HG2 ILE 123 1HG2 ILE 123 0.159 0.670 11.345 968 2HG2 ILE 123 2HG2 ILE 123 1.088 -0.827 11.267 969 3HG2 ILE 123 3HG2 ILE 123 0.041 -0.509 12.651 970 1HD1 ILE 123 1HD1 ILE 123 0.636 -1.060 8.621 971 2HD1 ILE 123 2HD1 ILE 123 0.666 0.554 9.338 972 3HD1 ILE 123 3HD1 ILE 123 -0.143 0.291 7.793 973 H ALA 124 HN ALA 124 -2.434 -3.618 12.300 974 HA ALA 124 HA ALA 124 -1.127 -3.474 14.748 975 1HB ALA 124 HB1 ALA 124 -3.223 -5.381 13.731 976 2HB ALA 124 HB2 ALA 124 -3.439 -3.968 14.766 977 3HB ALA 124 HB3 ALA 124 -2.639 -5.409 15.395 978 H LYS 125 HN LYS 125 -0.749 -5.681 12.099 979 HA LYS 125 HA LYS 125 0.737 -7.643 13.609 980 1HB LYS 125 HB2 LYS 125 0.493 -7.309 10.615 981 2HB LYS 125 HB1 LYS 125 1.105 -8.728 11.455 982 1HG LYS 125 HG2 LYS 125 -1.674 -7.707 11.921 983 2HG LYS 125 HG1 LYS 125 -1.292 -8.792 10.584 984 1HD LYS 125 HD2 LYS 125 -1.849 -10.336 12.172 985 2HD LYS 125 HD1 LYS 125 -0.126 -10.174 12.518 986 1HE LYS 125 HE2 LYS 125 -0.831 -9.827 14.626 987 2HE LYS 125 HE1 LYS 125 -1.135 -8.188 14.052 988 1HZ LYS 125 HZ1 LYS 125 -3.075 -10.391 14.412 989 2HZ LYS 125 HZ2 LYS 125 -3.429 -9.044 13.453 990 3HZ LYS 125 HZ3 LYS 125 -3.099 -8.845 15.099 991 H LEU 126 HN LEU 126 1.581 -5.208 11.139 992 HA LEU 126 HA LEU 126 4.396 -5.715 11.387 993 1HB LEU 126 HB2 LEU 126 2.878 -4.663 9.426 994 2HB LEU 126 HB1 LEU 126 3.467 -3.188 10.164 995 HG LEU 126 HG LEU 126 5.758 -3.827 9.761 996 1HD1 LEU 126 1HD1 LEU 126 4.620 -6.457 9.500 997 2HD1 LEU 126 2HD1 LEU 126 6.303 -5.978 9.714 998 3HD1 LEU 126 3HD1 LEU 126 5.609 -6.064 8.095 999 1HD2 LEU 126 1HD2 LEU 126 4.148 -4.335 7.266 1000 2HD2 LEU 126 2HD2 LEU 126 5.795 -3.715 7.366 1001 3HD2 LEU 126 3HD2 LEU 126 4.448 -2.738 7.950 1002 H LYS 127 HN LYS 127 2.124 -3.457 12.750 1003 HA LYS 127 HA LYS 127 3.773 -1.425 13.641 1004 1HB LYS 127 HB2 LYS 127 1.294 -1.517 13.784 1005 2HB LYS 127 HB1 LYS 127 1.444 -2.597 15.157 1006 1HG LYS 127 HG2 LYS 127 2.239 -0.945 16.542 1007 2HG LYS 127 HG1 LYS 127 2.814 0.049 15.204 1008 1HD LYS 127 HD2 LYS 127 0.924 1.184 15.983 1009 2HD LYS 127 HD1 LYS 127 0.338 0.294 14.577 1010 1HE LYS 127 HE2 LYS 127 -0.975 -1.062 15.818 1011 2HE LYS 127 HE1 LYS 127 0.175 -1.129 17.152 1012 1HZ LYS 127 HZ1 LYS 127 -1.130 1.432 16.725 1013 2HZ LYS 127 HZ2 LYS 127 -0.767 0.628 18.168 1014 3HZ LYS 127 HZ3 LYS 127 -2.129 0.181 17.272 1015 H ARG 128 HN ARG 128 3.037 -4.534 15.143 1016 HA ARG 128 HA ARG 128 4.577 -4.062 17.493 1017 1HB ARG 128 HB2 ARG 128 2.799 -5.708 17.524 1018 2HB ARG 128 HB1 ARG 128 3.566 -6.616 16.229 1019 1HG ARG 128 HG2 ARG 128 5.371 -7.261 17.658 1020 2HG ARG 128 HG1 ARG 128 4.804 -6.188 18.939 1021 1HD ARG 128 HD2 ARG 128 3.446 -7.762 19.724 1022 2HD ARG 128 HD1 ARG 128 2.695 -7.965 18.143 1023 HE ARG 128 HE ARG 128 5.238 -9.271 18.361 1024 1HH1 ARG 128 1HH1 ARG 128 1.821 -9.579 18.999 1025 2HH1 ARG 128 2HH1 ARG 128 1.845 -11.311 18.973 1026 1HH2 ARG 128 1HH2 ARG 128 5.272 -11.547 18.325 1027 2HH2 ARG 128 2HH2 ARG 128 3.804 -12.428 18.591 1028 H LEU 129 HN LEU 129 5.428 -4.526 14.307 1029 HA LEU 129 HA LEU 129 7.317 -5.171 13.204 1030 1HB LEU 129 HB2 LEU 129 8.822 -4.345 15.658 1031 2HB LEU 129 HB1 LEU 129 9.277 -4.154 13.976 1032 HG LEU 129 HG LEU 129 6.951 -2.660 14.188 1033 1HD1 LEU 129 1HD1 LEU 129 8.640 -2.259 16.651 1034 2HD1 LEU 129 2HD1 LEU 129 6.969 -2.820 16.601 1035 3HD1 LEU 129 3HD1 LEU 129 7.362 -1.174 16.103 1036 1HD2 LEU 129 1HD2 LEU 129 8.997 -2.107 12.932 1037 2HD2 LEU 129 2HD2 LEU 129 9.798 -1.697 14.449 1038 3HD2 LEU 129 3HD2 LEU 129 8.414 -0.752 13.899 1039 1HO1 MO2 130 1HO1 MO2 130 -3.442 4.691 -6.624 1040 2HO1 MO2 130 2HO1 MO2 130 -5.423 4.677 -10.903 1041 1HO2 MO2 130 1HO2 MO2 130 -4.875 5.031 -6.964 1042 2HO2 MO2 130 2HO2 MO2 130 -6.082 5.033 -9.590 1043 1H5* 8OG 131 1H5* 8OG 131 -12.091 4.840 -4.156 1044 2H5* 8OG 131 2H5* 8OG 131 -11.894 4.882 -2.431 1045 H4* 8OG 131 1H4* 8OG 131 -10.140 3.518 -4.464 1046 H3* 8OG 131 1H3* 8OG 131 -12.392 2.549 -3.044 1047 1H2* 8OG 131 1H2* 8OG 131 -11.498 1.319 -1.404 1048 2H2* 8OG 131 2H2* 8OG 131 -10.471 0.496 -2.555 1049 H1* 8OG 131 1H1* 8OG 131 -8.697 1.632 -1.889 1050 H1 8OG 131 H1 8OG 131 -5.922 1.176 3.359 1051 H7 8OG 131 H7 8OG 131 -10.542 2.935 2.701 1052 1H2 8OG 131 H21 8OG 131 -4.743 0.476 0.140 1053 2H2 8OG 131 H22 8OG 131 -4.403 0.467 1.839 1054 H3T 8OG 131 *HO1 8OG 131 -11.855 2.086 -5.261 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -24.525 -6.617 -5.556 2 2H MET 1 HT2 MET 1 -24.869 -5.821 -4.075 3 3H MET 1 HT3 MET 1 -25.420 -7.426 -4.338 4 HA MET 1 HA MET 1 -23.469 -7.206 -2.879 5 1HB MET 1 HB2 MET 1 -24.229 -9.122 -4.620 6 2HB MET 1 HB1 MET 1 -22.625 -8.774 -5.252 7 1HG MET 1 HG2 MET 1 -21.580 -9.697 -3.489 8 2HG MET 1 HG1 MET 1 -22.792 -9.137 -2.338 9 1HE MET 1 HE1 MET 1 -22.916 -12.681 -5.113 10 2HE MET 1 HE2 MET 1 -21.653 -12.792 -3.887 11 3HE MET 1 HE3 MET 1 -21.712 -11.400 -4.968 12 H LYS 2 HN LYS 2 -22.489 -5.119 -2.965 13 HA LYS 2 HA LYS 2 -20.807 -4.358 -5.150 14 1HB LYS 2 HB2 LYS 2 -21.852 -3.131 -2.809 15 2HB LYS 2 HB1 LYS 2 -20.103 -2.962 -2.754 16 1HG LYS 2 HG2 LYS 2 -21.435 -2.331 -5.319 17 2HG LYS 2 HG1 LYS 2 -21.685 -1.211 -3.979 18 1HD LYS 2 HD2 LYS 2 -19.528 -0.516 -3.983 19 2HD LYS 2 HD1 LYS 2 -18.906 -2.103 -4.440 20 1HE LYS 2 HE2 LYS 2 -20.512 -0.733 -6.492 21 2HE LYS 2 HE1 LYS 2 -18.982 0.045 -6.090 22 1HZ LYS 2 HZ1 LYS 2 -18.885 -2.830 -6.508 23 2HZ LYS 2 HZ2 LYS 2 -17.794 -1.629 -6.984 24 3HZ LYS 2 HZ3 LYS 2 -19.202 -1.895 -7.882 25 H LYS 3 HN LYS 3 -18.674 -4.668 -5.444 26 HA LYS 3 HA LYS 3 -17.073 -5.753 -3.246 27 1HB LYS 3 HB2 LYS 3 -17.786 -7.134 -5.761 28 2HB LYS 3 HB1 LYS 3 -16.093 -7.229 -5.294 29 1HG LYS 3 HG2 LYS 3 -16.510 -8.589 -3.552 30 2HG LYS 3 HG1 LYS 3 -18.032 -7.788 -3.153 31 1HD LYS 3 HD2 LYS 3 -19.256 -9.112 -4.555 32 2HD LYS 3 HD1 LYS 3 -17.912 -9.354 -5.674 33 1HE LYS 3 HE2 LYS 3 -17.095 -11.132 -4.521 34 2HE LYS 3 HE1 LYS 3 -17.609 -10.493 -2.960 35 1HZ LYS 3 HZ1 LYS 3 -19.121 -12.132 -3.144 36 2HZ LYS 3 HZ2 LYS 3 -19.044 -12.190 -4.832 37 3HZ LYS 3 HZ3 LYS 3 -19.965 -10.994 -4.069 38 H LEU 4 HN LEU 4 -15.135 -4.825 -3.113 39 HA LEU 4 HA LEU 4 -13.853 -3.741 -5.495 40 1HB LEU 4 HB2 LEU 4 -13.662 -1.543 -4.722 41 2HB LEU 4 HB1 LEU 4 -15.329 -1.979 -4.392 42 HG LEU 4 HG LEU 4 -14.350 -2.601 -2.018 43 1HD1 LEU 4 1HD1 LEU 4 -12.362 -1.757 -1.443 44 2HD1 LEU 4 2HD1 LEU 4 -12.627 -0.262 -2.338 45 3HD1 LEU 4 3HD1 LEU 4 -12.051 -1.703 -3.177 46 1HD2 LEU 4 1HD2 LEU 4 -16.096 -1.004 -2.305 47 2HD2 LEU 4 2HD2 LEU 4 -14.986 0.167 -3.019 48 3HD2 LEU 4 3HD2 LEU 4 -14.848 -0.254 -1.312 49 H GLN 5 HN GLN 5 -11.819 -4.444 -5.476 50 HA GLN 5 HA GLN 5 -10.592 -5.179 -2.919 51 1HB GLN 5 HB2 GLN 5 -9.454 -5.836 -5.618 52 2HB GLN 5 HB1 GLN 5 -9.258 -6.695 -4.103 53 1HG GLN 5 HG2 GLN 5 -11.522 -7.504 -4.212 54 2HG GLN 5 HG1 GLN 5 -11.832 -6.535 -5.649 55 1HE2 GLN 5 1HE2 GLN 5 -8.958 -8.436 -4.899 56 2HE2 GLN 5 2HE2 GLN 5 -9.122 -9.536 -6.221 57 H ILE 6 HN ILE 6 -8.352 -4.740 -2.543 58 HA ILE 6 HA ILE 6 -7.146 -2.561 -4.068 59 HB ILE 6 HB ILE 6 -6.501 -1.799 -1.513 60 1HG1 ILE 6 2HG1 ILE 6 -8.326 -3.385 -0.717 61 2HG1 ILE 6 1HG1 ILE 6 -8.431 -1.726 -0.142 62 1HG2 ILE 6 1HG2 ILE 6 -7.645 0.187 -1.990 63 2HG2 ILE 6 2HG2 ILE 6 -8.841 -0.638 -2.989 64 3HG2 ILE 6 3HG2 ILE 6 -7.181 -0.467 -3.560 65 1HD1 ILE 6 1HD1 ILE 6 -9.914 -1.917 -2.551 66 2HD1 ILE 6 2HD1 ILE 6 -10.490 -1.591 -0.917 67 3HD1 ILE 6 3HD1 ILE 6 -10.382 -3.252 -1.498 68 H ALA 7 HN ALA 7 -4.936 -2.638 -4.129 69 HA ALA 7 HA ALA 7 -3.621 -4.708 -2.488 70 1HB ALA 7 HB1 ALA 7 -2.047 -4.852 -4.557 71 2HB ALA 7 HB2 ALA 7 -3.428 -4.185 -5.429 72 3HB ALA 7 HB3 ALA 7 -3.582 -5.717 -4.561 73 H VAL 8 HN VAL 8 -1.968 -3.932 -1.296 74 HA VAL 8 HA VAL 8 -0.561 -1.570 -2.310 75 HB VAL 8 HB VAL 8 -1.599 -0.293 -0.809 76 1HG1 VAL 8 1HG1 VAL 8 -2.922 -1.113 1.080 77 2HG1 VAL 8 2HG1 VAL 8 -2.325 -2.746 0.788 78 3HG1 VAL 8 3HG1 VAL 8 -3.336 -1.948 -0.417 79 1HG2 VAL 8 1HG2 VAL 8 0.038 -1.844 1.199 80 2HG2 VAL 8 2HG2 VAL 8 -0.652 -0.241 1.441 81 3HG2 VAL 8 3HG2 VAL 8 0.605 -0.483 0.230 82 H GLY 9 HN GLY 9 1.526 -1.215 -1.419 83 1HA GLY 9 HA2 GLY 9 2.723 -3.368 0.131 84 2HA GLY 9 HA1 GLY 9 3.326 -3.166 -1.509 85 H ILE 10 HN ILE 10 4.122 -2.519 1.532 86 HA ILE 10 HA ILE 10 4.816 0.253 1.405 87 HB ILE 10 HB ILE 10 6.585 -1.052 3.215 88 1HG1 ILE 10 2HG1 ILE 10 3.728 -2.025 3.457 89 2HG1 ILE 10 1HG1 ILE 10 5.145 -3.023 3.140 90 1HG2 ILE 10 1HG2 ILE 10 5.865 0.565 4.588 91 2HG2 ILE 10 2HG2 ILE 10 4.165 0.179 4.320 92 3HG2 ILE 10 3HG2 ILE 10 5.039 1.171 3.153 93 1HD1 ILE 10 1HD1 ILE 10 4.025 -2.280 5.626 94 2HD1 ILE 10 2HD1 ILE 10 5.627 -1.551 5.511 95 3HD1 ILE 10 3HD1 ILE 10 5.433 -3.293 5.310 96 H ILE 11 HN ILE 11 6.231 0.996 -0.036 97 HA ILE 11 HA ILE 11 8.198 -0.644 -1.270 98 HB ILE 11 HB ILE 11 8.333 2.344 -1.352 99 1HG1 ILE 11 2HG1 ILE 11 6.222 0.562 -2.533 100 2HG1 ILE 11 1HG1 ILE 11 6.036 2.123 -1.742 101 1HG2 ILE 11 1HG2 ILE 11 8.582 0.663 -3.760 102 2HG2 ILE 11 2HG2 ILE 11 9.831 0.445 -2.536 103 3HG2 ILE 11 3HG2 ILE 11 9.546 2.041 -3.231 104 1HD1 ILE 11 1HD1 ILE 11 5.603 2.273 -4.129 105 2HD1 ILE 11 2HD1 ILE 11 7.222 1.659 -4.467 106 3HD1 ILE 11 3HD1 ILE 11 7.019 3.225 -3.680 107 H ARG 12 HN ARG 12 10.091 -1.212 -0.509 108 HA ARG 12 HA ARG 12 11.208 0.059 1.823 109 1HB ARG 12 HB2 ARG 12 11.494 -2.486 0.461 110 2HB ARG 12 HB1 ARG 12 13.053 -1.816 0.916 111 1HG ARG 12 HG2 ARG 12 11.357 -1.461 3.125 112 2HG ARG 12 HG1 ARG 12 11.092 -3.101 2.549 113 1HD ARG 12 HD2 ARG 12 12.957 -2.652 4.290 114 2HD ARG 12 HD1 ARG 12 13.270 -3.742 2.946 115 HE ARG 12 HE ARG 12 14.205 -0.948 3.081 116 1HH1 ARG 12 1HH1 ARG 12 14.602 -4.253 2.000 117 2HH1 ARG 12 2HH1 ARG 12 16.141 -3.954 1.271 118 1HH2 ARG 12 1HH2 ARG 12 16.229 -0.570 2.118 119 2HH2 ARG 12 2HH2 ARG 12 17.063 -1.870 1.337 120 H ASN 13 HN ASN 13 12.643 1.584 1.850 121 HA ASN 13 HA ASN 13 13.730 2.706 -0.518 122 1HB ASN 13 HB2 ASN 13 13.262 3.715 1.917 123 2HB ASN 13 HB1 ASN 13 14.985 3.449 2.019 124 1HD2 ASN 13 1HD2 ASN 13 14.727 5.880 2.247 125 2HD2 ASN 13 2HD2 ASN 13 14.849 6.795 0.787 126 H GLU 14 HN GLU 14 16.147 3.499 -0.042 127 HA GLU 14 HA GLU 14 17.768 1.394 -0.922 128 1HB GLU 14 HB2 GLU 14 18.259 3.615 -1.602 129 2HB GLU 14 HB1 GLU 14 18.362 4.172 0.065 130 1HG GLU 14 HG2 GLU 14 20.558 3.994 -1.011 131 2HG GLU 14 HG1 GLU 14 20.410 2.928 0.385 132 H ASN 15 HN ASN 15 16.866 2.160 2.251 133 HA ASN 15 HA ASN 15 19.097 0.526 3.256 134 1HB ASN 15 HB2 ASN 15 19.532 2.831 3.884 135 2HB ASN 15 HB1 ASN 15 17.923 2.978 4.581 136 1HD2 ASN 15 1HD2 ASN 15 19.222 3.664 6.453 137 2HD2 ASN 15 2HD2 ASN 15 19.794 2.449 7.539 138 H ASN 16 HN ASN 16 16.378 1.941 5.018 139 HA ASN 16 HA ASN 16 15.011 -0.611 5.170 140 1HB ASN 16 HB2 ASN 16 15.105 -0.755 7.618 141 2HB ASN 16 HB1 ASN 16 16.717 -0.848 6.915 142 1HD2 ASN 16 1HD2 ASN 16 14.656 0.807 9.047 143 2HD2 ASN 16 2HD2 ASN 16 15.755 2.055 9.518 144 H GLU 17 HN GLU 17 14.682 2.422 4.564 145 HA GLU 17 HA GLU 17 12.338 2.914 6.258 146 1HB GLU 17 HB2 GLU 17 12.550 5.178 4.781 147 2HB GLU 17 HB1 GLU 17 13.334 4.950 6.335 148 1HG GLU 17 HG2 GLU 17 15.387 4.266 5.200 149 2HG GLU 17 HG1 GLU 17 14.598 4.498 3.641 150 H ILE 18 HN ILE 18 10.372 3.743 5.148 151 HA ILE 18 HA ILE 18 10.173 2.800 2.376 152 HB ILE 18 HB ILE 18 8.433 1.976 4.676 153 1HG1 ILE 18 2HG1 ILE 18 9.341 0.135 2.532 154 2HG1 ILE 18 1HG1 ILE 18 10.560 0.734 3.650 155 1HG2 ILE 18 1HG2 ILE 18 6.667 2.302 3.320 156 2HG2 ILE 18 2HG2 ILE 18 7.218 0.808 2.566 157 3HG2 ILE 18 3HG2 ILE 18 7.664 2.363 1.867 158 1HD1 ILE 18 1HD1 ILE 18 9.502 -1.467 4.230 159 2HD1 ILE 18 2HD1 ILE 18 8.015 -0.575 4.553 160 3HD1 ILE 18 3HD1 ILE 18 9.467 -0.243 5.498 161 H PHE 19 HN PHE 19 8.783 3.904 1.070 162 HA PHE 19 HA PHE 19 7.822 6.447 2.114 163 1HB PHE 19 HB2 PHE 19 8.565 7.206 0.145 164 2HB PHE 19 HB1 PHE 19 8.949 5.568 -0.359 165 HD1 PHE 19 HD1 PHE 19 6.823 8.401 -0.854 166 HD2 PHE 19 HD2 PHE 19 7.145 4.207 -1.494 167 HE1 PHE 19 HE1 PHE 19 5.088 8.537 -2.594 168 HE2 PHE 19 HE2 PHE 19 5.411 4.335 -3.235 169 HZ PHE 19 HZ PHE 19 4.381 6.503 -3.787 170 H ILE 20 HN ILE 20 5.751 6.915 2.448 171 HA ILE 20 HA ILE 20 3.696 5.166 1.273 172 HB ILE 20 HB ILE 20 2.757 6.240 3.760 173 1HG1 ILE 20 2HG1 ILE 20 5.159 4.440 4.101 174 2HG1 ILE 20 1HG1 ILE 20 5.235 6.188 4.302 175 1HG2 ILE 20 1HG2 ILE 20 1.985 4.242 2.415 176 2HG2 ILE 20 2HG2 ILE 20 2.071 4.029 4.164 177 3HG2 ILE 20 3HG2 ILE 20 3.336 3.364 3.131 178 1HD1 ILE 20 1HD1 ILE 20 3.326 4.480 5.859 179 2HD1 ILE 20 2HD1 ILE 20 3.843 6.134 6.187 180 3HD1 ILE 20 3HD1 ILE 20 4.975 4.797 6.397 181 H THR 21 HN THR 21 1.855 6.207 0.548 182 HA THR 21 HA THR 21 2.092 8.997 0.017 183 HB THR 21 HB THR 21 0.134 8.786 -1.260 184 HG1 THR 21 HG1 THR 21 -1.280 7.924 0.213 185 1HG2 THR 21 1HG2 THR 21 1.000 7.398 -2.737 186 2HG2 THR 21 2HG2 THR 21 0.490 6.018 -1.765 187 3HG2 THR 21 3HG2 THR 21 2.071 6.751 -1.493 188 H ARG 22 HN ARG 22 1.774 10.511 1.509 189 HA ARG 22 HA ARG 22 0.014 10.035 3.758 190 1HB ARG 22 HB2 ARG 22 2.205 11.164 4.039 191 2HB ARG 22 HB1 ARG 22 1.617 12.499 3.058 192 1HG ARG 22 HG2 ARG 22 0.453 13.391 4.750 193 2HG ARG 22 HG1 ARG 22 -0.109 11.819 5.324 194 1HD ARG 22 HD2 ARG 22 1.668 11.542 6.724 195 2HD ARG 22 HD1 ARG 22 2.763 12.462 5.693 196 HE ARG 22 HE ARG 22 1.117 13.475 7.825 197 1HH1 ARG 22 1HH1 ARG 22 2.825 14.280 4.889 198 2HH1 ARG 22 2HH1 ARG 22 2.989 15.954 5.296 199 1HH2 ARG 22 1HH2 ARG 22 1.332 15.678 8.361 200 2HH2 ARG 22 2HH2 ARG 22 2.142 16.748 7.267 201 H ARG 23 HN ARG 23 -1.990 9.913 2.639 202 HA ARG 23 HA ARG 23 -3.895 10.694 1.642 203 1HB ARG 23 HB2 ARG 23 -3.133 12.584 3.787 204 2HB ARG 23 HB1 ARG 23 -4.401 13.120 2.693 205 1HG ARG 23 HG2 ARG 23 -4.920 10.424 3.478 206 2HG ARG 23 HG1 ARG 23 -4.626 11.406 4.914 207 1HD ARG 23 HD2 ARG 23 -6.826 11.871 4.698 208 2HD ARG 23 HD1 ARG 23 -6.233 13.067 3.546 209 HE ARG 23 HE ARG 23 -6.778 10.498 2.375 210 1HH1 ARG 23 1HH1 ARG 23 -8.142 13.580 3.279 211 2HH1 ARG 23 2HH1 ARG 23 -9.439 13.482 2.137 212 1HH2 ARG 23 1HH2 ARG 23 -8.483 10.368 0.872 213 2HH2 ARG 23 2HH2 ARG 23 -9.633 11.658 0.770 214 H ALA 24 HN ALA 24 -1.463 11.306 0.141 215 HA ALA 24 HA ALA 24 -0.892 12.418 -1.764 216 1HB ALA 24 HB1 ALA 24 -3.734 12.517 -1.667 217 2HB ALA 24 HB2 ALA 24 -2.675 12.541 -3.077 218 3HB ALA 24 HB3 ALA 24 -3.140 14.052 -2.297 219 H ALA 25 HN ALA 25 -0.608 13.646 0.965 220 HA ALA 25 HA ALA 25 0.030 15.609 1.938 221 1HB ALA 25 HB1 ALA 25 1.908 15.404 0.502 222 2HB ALA 25 HB2 ALA 25 1.403 17.093 0.441 223 3HB ALA 25 HB3 ALA 25 0.998 16.003 -0.885 224 H ASP 26 HN ASP 26 -2.629 15.683 1.516 225 HA ASP 26 HA ASP 26 -3.249 18.221 0.201 226 1HB ASP 26 HB2 ASP 26 -5.605 17.566 0.493 227 2HB ASP 26 HB1 ASP 26 -4.685 16.317 -0.343 228 H ALA 27 HN ALA 27 -1.838 17.911 2.850 229 HA ALA 27 HA ALA 27 -1.756 19.005 4.839 230 1HB ALA 27 HB1 ALA 27 -3.610 20.938 4.957 231 2HB ALA 27 HB2 ALA 27 -3.583 20.662 3.216 232 3HB ALA 27 HB3 ALA 27 -2.098 21.100 4.063 233 H HIS 28 HN HIS 28 -5.240 19.430 4.354 234 HA HIS 28 HA HIS 28 -5.946 18.614 6.927 235 1HB HIS 28 HB2 HIS 28 -7.276 19.746 4.834 236 2HB HIS 28 HB1 HIS 28 -7.971 18.128 4.840 237 HD1 HIS 28 HD1 HIS 28 -6.984 20.040 7.944 238 HD2 HIS 28 HD2 HIS 28 -10.402 18.772 5.950 239 HE1 HIS 28 HE1 HIS 28 -8.893 20.524 9.507 240 HE2 HIS 28 HE2 HIS 28 -10.941 19.671 8.313 241 H MET 29 HN MET 29 -7.020 16.718 7.675 242 HA MET 29 HA MET 29 -7.219 14.473 7.975 243 1HB MET 29 HB2 MET 29 -7.196 14.303 4.959 244 2HB MET 29 HB1 MET 29 -7.872 13.131 6.082 245 1HG MET 29 HG2 MET 29 -9.256 15.328 6.793 246 2HG MET 29 HG1 MET 29 -8.984 15.663 5.084 247 1HE MET 29 HE1 MET 29 -11.865 15.391 6.315 248 2HE MET 29 HE2 MET 29 -12.678 14.355 5.143 249 3HE MET 29 HE3 MET 29 -11.607 15.641 4.589 250 H ALA 30 HN ALA 30 -4.647 15.455 8.149 251 HA ALA 30 HA ALA 30 -2.799 13.950 6.583 252 1HB ALA 30 HB1 ALA 30 -1.904 14.978 9.196 253 2HB ALA 30 HB2 ALA 30 -2.570 16.171 8.081 254 3HB ALA 30 HB3 ALA 30 -1.198 15.177 7.591 255 H ASN 31 HN ASN 31 -4.819 13.047 9.110 256 HA ASN 31 HA ASN 31 -3.003 11.101 10.265 257 1HB ASN 31 HB2 ASN 31 -5.475 12.365 11.048 258 2HB ASN 31 HB1 ASN 31 -5.614 10.616 11.198 259 1HD2 ASN 31 1HD2 ASN 31 -2.892 12.835 11.670 260 2HD2 ASN 31 2HD2 ASN 31 -2.572 12.368 13.303 261 H LYS 32 HN LYS 32 -4.269 11.058 7.391 262 HA LYS 32 HA LYS 32 -5.209 8.281 7.553 263 1HB LYS 32 HB2 LYS 32 -6.217 10.582 6.078 264 2HB LYS 32 HB1 LYS 32 -5.956 9.180 5.050 265 1HG LYS 32 HG2 LYS 32 -7.279 7.870 6.789 266 2HG LYS 32 HG1 LYS 32 -7.766 9.444 7.424 267 1HD LYS 32 HD2 LYS 32 -8.423 9.952 4.968 268 2HD LYS 32 HD1 LYS 32 -8.381 8.199 4.770 269 1HE LYS 32 HE2 LYS 32 -10.530 8.315 5.424 270 2HE LYS 32 HE1 LYS 32 -9.836 8.417 7.041 271 1HZ LYS 32 HZ1 LYS 32 -10.235 10.658 7.170 272 2HZ LYS 32 HZ2 LYS 32 -11.568 10.161 6.256 273 3HZ LYS 32 HZ3 LYS 32 -10.243 10.882 5.492 274 H LEU 33 HN LEU 33 -2.470 9.274 7.383 275 HA LEU 33 HA LEU 33 -1.228 9.138 4.958 276 1HB LEU 33 HB2 LEU 33 -0.322 9.367 7.396 277 2HB LEU 33 HB1 LEU 33 -0.125 7.633 7.297 278 HG LEU 33 HG LEU 33 1.323 9.785 5.802 279 1HD1 LEU 33 1HD1 LEU 33 2.341 7.279 7.116 280 2HD1 LEU 33 2HD1 LEU 33 2.155 8.816 7.961 281 3HD1 LEU 33 3HD1 LEU 33 3.268 8.687 6.598 282 1HD2 LEU 33 1HD2 LEU 33 2.206 8.200 4.236 283 2HD2 LEU 33 2HD2 LEU 33 0.446 8.151 4.133 284 3HD2 LEU 33 3HD2 LEU 33 1.314 6.880 4.993 285 H GLU 34 HN GLU 34 -1.965 7.723 3.411 286 HA GLU 34 HA GLU 34 -2.081 4.880 4.138 287 1HB GLU 34 HB2 GLU 34 -3.990 6.366 2.938 288 2HB GLU 34 HB1 GLU 34 -3.153 5.741 1.523 289 1HG GLU 34 HG2 GLU 34 -3.538 3.595 3.338 290 2HG GLU 34 HG1 GLU 34 -5.067 4.455 3.166 291 H PHE 35 HN PHE 35 -1.883 3.588 1.853 292 HA PHE 35 HA PHE 35 0.784 4.280 0.818 293 1HB PHE 35 HB2 PHE 35 0.116 1.455 0.595 294 2HB PHE 35 HB1 PHE 35 1.554 2.216 1.257 295 HD1 PHE 35 HD1 PHE 35 2.019 1.853 3.471 296 HD2 PHE 35 HD2 PHE 35 -2.030 1.666 2.173 297 HE1 PHE 35 HE1 PHE 35 1.327 1.194 5.737 298 HE2 PHE 35 HE2 PHE 35 -2.729 1.008 4.436 299 HZ PHE 35 HZ PHE 35 -1.051 0.772 6.222 300 HA PRO 36 HA PRO 36 -0.716 3.885 -3.319 301 1HB PRO 36 HB2 PRO 36 1.267 2.665 -4.637 302 2HB PRO 36 HB1 PRO 36 1.472 4.277 -3.954 303 1HG PRO 36 HG2 PRO 36 2.352 1.641 -2.842 304 2HG PRO 36 HG1 PRO 36 3.247 3.169 -2.931 305 1HD PRO 36 HD2 PRO 36 1.981 2.311 -0.676 306 2HD PRO 36 HD1 PRO 36 2.213 4.026 -1.065 307 H GLY 37 HN GLY 37 -1.245 2.335 -5.126 308 1HA GLY 37 HA2 GLY 37 -1.588 0.070 -5.851 309 2HA GLY 37 HA1 GLY 37 -1.513 -0.422 -4.189 310 H GLY 38 HN GLY 38 -3.402 1.782 -6.111 311 1HA GLY 38 HA2 GLY 38 -5.874 0.665 -4.959 312 2HA GLY 38 HA1 GLY 38 -5.670 2.381 -5.308 313 H LYS 39 HN LYS 39 -7.510 0.121 -6.327 314 HA LYS 39 HA LYS 39 -8.793 0.132 -8.253 315 1HB LYS 39 HB2 LYS 39 -7.675 2.227 -9.030 316 2HB LYS 39 HB1 LYS 39 -6.411 1.232 -9.744 317 1HG LYS 39 HG2 LYS 39 -7.618 0.962 -11.569 318 2HG LYS 39 HG1 LYS 39 -8.923 0.245 -10.624 319 1HD LYS 39 HD2 LYS 39 -8.506 3.203 -11.059 320 2HD LYS 39 HD1 LYS 39 -9.671 2.201 -11.927 321 1HE LYS 39 HE2 LYS 39 -11.060 2.964 -10.307 322 2HE LYS 39 HE1 LYS 39 -10.381 1.598 -9.425 323 1HZ LYS 39 HZ1 LYS 39 -9.259 2.942 -8.035 324 2HZ LYS 39 HZ2 LYS 39 -10.418 4.087 -8.488 325 3HZ LYS 39 HZ3 LYS 39 -8.898 4.085 -9.229 326 H ILE 40 HN ILE 40 -5.980 -1.441 -7.509 327 HA ILE 40 HA ILE 40 -5.227 -2.992 -9.601 328 HB ILE 40 HB ILE 40 -4.025 -3.625 -7.786 329 1HG1 ILE 40 2HG1 ILE 40 -6.243 -5.670 -7.545 330 2HG1 ILE 40 1HG1 ILE 40 -5.058 -5.670 -8.846 331 1HG2 ILE 40 1HG2 ILE 40 -5.366 -4.213 -5.580 332 2HG2 ILE 40 2HG2 ILE 40 -6.560 -3.152 -6.324 333 3HG2 ILE 40 3HG2 ILE 40 -4.932 -2.554 -6.004 334 1HD1 ILE 40 1HD1 ILE 40 -3.369 -5.678 -6.838 335 2HD1 ILE 40 2HD1 ILE 40 -4.109 -7.161 -7.429 336 3HD1 ILE 40 3HD1 ILE 40 -4.750 -6.373 -5.991 337 H GLU 41 HN GLU 41 -7.955 -3.545 -7.528 338 HA GLU 41 HA GLU 41 -9.027 -5.869 -8.134 339 1HB GLU 41 HB2 GLU 41 -11.323 -4.636 -8.234 340 2HB GLU 41 HB1 GLU 41 -10.365 -4.592 -6.768 341 1HG GLU 41 HG2 GLU 41 -10.334 -2.390 -6.810 342 2HG GLU 41 HG1 GLU 41 -9.595 -2.389 -8.403 343 H MET 42 HN MET 42 -10.316 -3.208 -10.096 344 HA MET 42 HA MET 42 -11.259 -3.285 -12.191 345 1HB MET 42 HB2 MET 42 -8.443 -4.276 -12.619 346 2HB MET 42 HB1 MET 42 -9.514 -3.823 -13.938 347 1HG MET 42 HG2 MET 42 -9.604 -1.678 -12.169 348 2HG MET 42 HG1 MET 42 -7.912 -2.169 -12.209 349 1HE MET 42 HE1 MET 42 -10.364 -1.870 -15.888 350 2HE MET 42 HE2 MET 42 -10.678 -0.350 -15.050 351 3HE MET 42 HE3 MET 42 -10.965 -1.883 -14.230 352 H GLY 43 HN GLY 43 -9.230 -6.016 -13.062 353 1HA GLY 43 HA2 GLY 43 -11.200 -8.032 -12.640 354 2HA GLY 43 HA1 GLY 43 -11.234 -7.453 -14.291 355 H GLU 44 HN GLU 44 -8.224 -7.468 -12.646 356 HA GLU 44 HA GLU 44 -7.119 -9.309 -14.553 357 1HB GLU 44 HB2 GLU 44 -6.123 -7.263 -12.906 358 2HB GLU 44 HB1 GLU 44 -5.350 -8.737 -12.344 359 1HG GLU 44 HG2 GLU 44 -4.008 -8.812 -14.106 360 2HG GLU 44 HG1 GLU 44 -5.349 -8.580 -15.227 361 H THR 45 HN THR 45 -5.171 -10.593 -12.832 362 HA THR 45 HA THR 45 -6.937 -12.595 -11.601 363 HB THR 45 HB THR 45 -4.164 -13.408 -11.907 364 HG1 THR 45 HG1 THR 45 -5.533 -12.752 -14.298 365 1HG2 THR 45 1HG2 THR 45 -5.460 -15.244 -11.813 366 2HG2 THR 45 2HG2 THR 45 -5.483 -15.025 -13.564 367 3HG2 THR 45 3HG2 THR 45 -6.835 -14.452 -12.585 368 HA PRO 46 HA PRO 46 -5.708 -11.840 -7.439 369 1HB PRO 46 HB2 PRO 46 -4.580 -14.394 -6.899 370 2HB PRO 46 HB1 PRO 46 -6.211 -13.841 -6.522 371 1HG PRO 46 HG2 PRO 46 -5.247 -15.455 -8.819 372 2HG PRO 46 HG1 PRO 46 -6.820 -15.483 -8.001 373 1HD PRO 46 HD2 PRO 46 -6.545 -14.374 -10.412 374 2HD PRO 46 HD1 PRO 46 -7.608 -13.643 -9.192 375 H GLU 47 HN GLU 47 -3.433 -13.215 -9.716 376 HA GLU 47 HA GLU 47 -1.182 -12.320 -8.072 377 1HB GLU 47 HB2 GLU 47 -1.508 -14.317 -10.254 378 2HB GLU 47 HB1 GLU 47 0.057 -13.533 -10.086 379 1HG GLU 47 HG2 GLU 47 -1.379 -15.045 -7.916 380 2HG GLU 47 HG1 GLU 47 -0.053 -15.667 -8.895 381 H GLN 48 HN GLN 48 -2.428 -12.017 -11.418 382 HA GLN 48 HA GLN 48 -0.443 -10.024 -12.061 383 1HB GLN 48 HB2 GLN 48 -2.872 -10.982 -13.588 384 2HB GLN 48 HB1 GLN 48 -1.665 -9.871 -14.221 385 1HG GLN 48 HG2 GLN 48 -0.532 -12.339 -13.160 386 2HG GLN 48 HG1 GLN 48 -1.645 -12.589 -14.504 387 1HE2 GLN 48 1HE2 GLN 48 -0.337 -13.019 -16.159 388 2HE2 GLN 48 2HE2 GLN 48 0.944 -11.998 -16.707 389 H ALA 49 HN ALA 49 -3.263 -9.898 -10.312 390 HA ALA 49 HA ALA 49 -4.457 -7.532 -11.269 391 1HB ALA 49 HB1 ALA 49 -5.627 -9.079 -9.800 392 2HB ALA 49 HB2 ALA 49 -5.589 -7.466 -9.096 393 3HB ALA 49 HB3 ALA 49 -4.500 -8.715 -8.495 394 H VAL 50 HN VAL 50 -2.313 -8.014 -8.450 395 HA VAL 50 HA VAL 50 -1.890 -5.171 -8.224 396 HB VAL 50 HB VAL 50 -1.717 -6.018 -6.109 397 1HG1 VAL 50 1HG1 VAL 50 -0.521 -8.141 -5.543 398 2HG1 VAL 50 2HG1 VAL 50 -0.365 -8.435 -7.275 399 3HG1 VAL 50 3HG1 VAL 50 -1.964 -8.334 -6.535 400 1HG2 VAL 50 1HG2 VAL 50 0.456 -5.710 -5.356 401 2HG2 VAL 50 2HG2 VAL 50 0.453 -4.867 -6.908 402 3HG2 VAL 50 3HG2 VAL 50 1.161 -6.476 -6.781 403 H VAL 51 HN VAL 51 0.067 -7.962 -9.215 404 HA VAL 51 HA VAL 51 2.493 -6.737 -9.599 405 HB VAL 51 HB VAL 51 1.299 -8.855 -11.394 406 1HG1 VAL 51 1HG1 VAL 51 3.933 -7.584 -11.258 407 2HG1 VAL 51 2HG1 VAL 51 3.180 -8.501 -12.563 408 3HG1 VAL 51 3HG1 VAL 51 3.979 -9.347 -11.237 409 1HG2 VAL 51 1HG2 VAL 51 3.186 -9.522 -9.207 410 2HG2 VAL 51 2HG2 VAL 51 1.848 -10.455 -9.872 411 3HG2 VAL 51 3HG2 VAL 51 1.528 -9.128 -8.755 412 H ARG 52 HN ARG 52 -0.306 -6.715 -11.732 413 HA ARG 52 HA ARG 52 1.094 -5.297 -13.801 414 1HB ARG 52 HB2 ARG 52 -1.815 -5.977 -13.399 415 2HB ARG 52 HB1 ARG 52 -1.245 -5.029 -14.765 416 1HG ARG 52 HG2 ARG 52 0.183 -7.556 -14.345 417 2HG ARG 52 HG1 ARG 52 -1.522 -7.721 -14.765 418 1HD ARG 52 HD2 ARG 52 -1.197 -7.005 -16.869 419 2HD ARG 52 HD1 ARG 52 -0.074 -5.742 -16.367 420 HE ARG 52 HE ARG 52 1.672 -7.167 -16.783 421 1HH1 ARG 52 1HH1 ARG 52 -1.302 -8.992 -16.741 422 2HH1 ARG 52 2HH1 ARG 52 -0.567 -10.441 -17.338 423 1HH2 ARG 52 1HH2 ARG 52 2.641 -9.073 -17.568 424 2HH2 ARG 52 2HH2 ARG 52 1.671 -10.488 -17.807 425 H GLU 53 HN GLU 53 -1.488 -4.445 -11.508 426 HA GLU 53 HA GLU 53 -1.587 -1.723 -12.214 427 1HB GLU 53 HB2 GLU 53 -3.183 -3.237 -10.740 428 2HB GLU 53 HB1 GLU 53 -2.226 -2.569 -9.426 429 1HG GLU 53 HG2 GLU 53 -3.677 -0.886 -9.453 430 2HG GLU 53 HG1 GLU 53 -2.812 -0.345 -10.890 431 H LEU 54 HN LEU 54 0.616 -3.516 -10.239 432 HA LEU 54 HA LEU 54 1.589 -1.570 -8.514 433 1HB LEU 54 HB2 LEU 54 2.289 -4.153 -9.170 434 2HB LEU 54 HB1 LEU 54 3.683 -3.232 -9.692 435 HG LEU 54 HG LEU 54 4.115 -2.444 -7.514 436 1HD1 LEU 54 1HD1 LEU 54 1.285 -2.942 -7.096 437 2HD1 LEU 54 2HD1 LEU 54 2.373 -1.827 -6.267 438 3HD1 LEU 54 3HD1 LEU 54 2.282 -3.515 -5.758 439 1HD2 LEU 54 1HD2 LEU 54 3.678 -5.287 -7.946 440 2HD2 LEU 54 2HD2 LEU 54 3.668 -4.837 -6.242 441 3HD2 LEU 54 3HD2 LEU 54 5.062 -4.447 -7.249 442 H GLN 55 HN GLN 55 2.476 -2.257 -11.867 443 HA GLN 55 HA GLN 55 4.508 -0.321 -12.103 444 1HB GLN 55 HB2 GLN 55 4.206 -2.070 -13.779 445 2HB GLN 55 HB1 GLN 55 2.615 -1.442 -14.188 446 1HG GLN 55 HG2 GLN 55 3.635 -0.328 -15.815 447 2HG GLN 55 HG1 GLN 55 4.250 0.738 -14.552 448 1HE2 GLN 55 1HE2 GLN 55 6.288 1.175 -14.982 449 2HE2 GLN 55 2HE2 GLN 55 7.498 0.032 -15.446 450 H GLU 56 HN GLU 56 1.030 -0.187 -12.268 451 HA GLU 56 HA GLU 56 0.885 2.505 -13.257 452 1HB GLU 56 HB2 GLU 56 -0.883 0.461 -13.192 453 2HB GLU 56 HB1 GLU 56 -1.414 1.364 -11.783 454 1HG GLU 56 HG2 GLU 56 -0.952 3.060 -14.097 455 2HG GLU 56 HG1 GLU 56 -2.169 1.817 -14.384 456 H GLU 57 HN GLU 57 1.216 0.982 -10.161 457 HA GLU 57 HA GLU 57 0.615 3.527 -8.824 458 1HB GLU 57 HB2 GLU 57 0.547 0.677 -7.894 459 2HB GLU 57 HB1 GLU 57 0.664 1.996 -6.735 460 1HG GLU 57 HG2 GLU 57 -1.576 1.850 -6.788 461 2HG GLU 57 HG1 GLU 57 -1.388 2.883 -8.201 462 H VAL 58 HN VAL 58 3.212 2.117 -10.080 463 HA VAL 58 HA VAL 58 4.981 3.222 -8.018 464 HB VAL 58 HB VAL 58 5.594 0.659 -9.500 465 1HG1 VAL 58 1HG1 VAL 58 7.678 1.216 -8.919 466 2HG1 VAL 58 2HG1 VAL 58 7.197 0.796 -7.275 467 3HG1 VAL 58 3HG1 VAL 58 7.129 2.474 -7.812 468 1HG2 VAL 58 1HG2 VAL 58 5.436 0.157 -6.752 469 2HG2 VAL 58 2HG2 VAL 58 4.349 -0.421 -8.015 470 3HG2 VAL 58 3HG2 VAL 58 3.988 1.077 -7.157 471 H GLY 59 HN GLY 59 4.628 2.051 -11.328 472 1HA GLY 59 HA2 GLY 59 5.368 2.895 -13.308 473 2HA GLY 59 HA1 GLY 59 5.706 4.386 -12.473 474 H ILE 60 HN ILE 60 7.606 3.379 -10.688 475 HA ILE 60 HA ILE 60 9.909 3.375 -12.369 476 HB ILE 60 HB ILE 60 10.935 2.848 -9.929 477 1HG1 ILE 60 2HG1 ILE 60 8.782 4.728 -9.136 478 2HG1 ILE 60 1HG1 ILE 60 8.425 3.005 -9.139 479 1HG2 ILE 60 1HG2 ILE 60 11.294 4.765 -11.591 480 2HG2 ILE 60 2HG2 ILE 60 11.625 5.065 -9.884 481 3HG2 ILE 60 3HG2 ILE 60 10.122 5.640 -10.606 482 1HD1 ILE 60 1HD1 ILE 60 10.509 2.717 -7.731 483 2HD1 ILE 60 2HD1 ILE 60 9.118 3.482 -6.963 484 3HD1 ILE 60 3HD1 ILE 60 10.470 4.467 -7.521 485 H THR 61 HN THR 61 11.759 1.822 -11.389 486 HA THR 61 HA THR 61 10.708 -0.907 -11.645 487 HB THR 61 HB THR 61 13.288 -1.146 -12.276 488 HG1 THR 61 HG1 THR 61 13.913 0.695 -13.477 489 1HG2 THR 61 1HG2 THR 61 11.387 -1.727 -13.754 490 2HG2 THR 61 2HG2 THR 61 12.745 -0.998 -14.612 491 3HG2 THR 61 3HG2 THR 61 11.311 -0.033 -14.247 492 HA PRO 62 HA PRO 62 12.809 -0.952 -7.591 493 1HB PRO 62 HB2 PRO 62 10.726 -1.103 -6.019 494 2HB PRO 62 HB1 PRO 62 10.932 0.357 -6.995 495 1HG PRO 62 HG2 PRO 62 9.050 -1.920 -7.380 496 2HG PRO 62 HG1 PRO 62 8.819 -0.199 -7.735 497 1HD PRO 62 HD2 PRO 62 9.692 -2.274 -9.530 498 2HD PRO 62 HD1 PRO 62 9.475 -0.548 -9.869 499 H GLN 63 HN GLN 63 13.433 -2.696 -6.300 500 HA GLN 63 HA GLN 63 12.563 -5.326 -7.112 501 1HB GLN 63 HB2 GLN 63 14.361 -4.378 -4.861 502 2HB GLN 63 HB1 GLN 63 14.008 -6.072 -5.170 503 1HG GLN 63 HG2 GLN 63 15.078 -5.969 -7.310 504 2HG GLN 63 HG1 GLN 63 15.291 -4.224 -7.167 505 1HE2 GLN 63 1HE2 GLN 63 15.837 -6.840 -4.845 506 2HE2 GLN 63 2HE2 GLN 63 17.511 -6.498 -4.588 507 H HIS 64 HN HIS 64 10.359 -4.913 -6.760 508 HA HIS 64 HA HIS 64 9.507 -4.963 -3.943 509 1HB HIS 64 HB2 HIS 64 8.848 -2.870 -4.809 510 2HB HIS 64 HB1 HIS 64 8.476 -3.550 -6.363 511 HD1 HIS 64 HD1 HIS 64 6.970 -5.312 -3.488 512 HD2 HIS 64 HD2 HIS 64 5.935 -2.269 -6.115 513 HE1 HIS 64 HE1 HIS 64 4.488 -5.025 -3.235 514 HE2 HIS 64 HE2 HIS 64 3.911 -3.082 -4.726 515 H PHE 65 HN PHE 65 8.378 -6.699 -3.333 516 HA PHE 65 HA PHE 65 6.429 -7.995 -4.886 517 1HB PHE 65 HB2 PHE 65 8.692 -8.575 -6.026 518 2HB PHE 65 HB1 PHE 65 8.901 -9.646 -4.653 519 HD1 PHE 65 HD1 PHE 65 6.098 -8.787 -6.959 520 HD2 PHE 65 HD2 PHE 65 8.436 -11.846 -5.146 521 HE1 PHE 65 HE1 PHE 65 4.754 -10.492 -8.114 522 HE2 PHE 65 HE2 PHE 65 7.094 -13.558 -6.299 523 HZ PHE 65 HZ PHE 65 5.250 -12.880 -7.786 524 H SER 66 HN SER 66 5.787 -10.130 -3.930 525 HA SER 66 HA SER 66 5.397 -11.576 -2.200 526 1HB SER 66 HB2 SER 66 7.946 -11.129 -1.728 527 2HB SER 66 HB1 SER 66 7.322 -10.176 -0.382 528 HG SER 66 HG SER 66 7.384 -12.098 0.532 529 H LEU 67 HN LEU 67 4.770 -11.422 0.275 530 HA LEU 67 HA LEU 67 3.452 -8.854 0.781 531 1HB LEU 67 HB2 LEU 67 1.421 -10.098 1.525 532 2HB LEU 67 HB1 LEU 67 1.723 -10.147 -0.201 533 HG LEU 67 HG LEU 67 2.860 -12.405 1.309 534 1HD1 LEU 67 1HD1 LEU 67 0.400 -13.400 1.102 535 2HD1 LEU 67 2HD1 LEU 67 -0.017 -11.721 1.441 536 3HD1 LEU 67 3HD1 LEU 67 0.991 -12.625 2.572 537 1HD2 LEU 67 1HD2 LEU 67 2.936 -12.299 -1.115 538 2HD2 LEU 67 2HD2 LEU 67 1.179 -12.166 -1.184 539 3HD2 LEU 67 3HD2 LEU 67 1.928 -13.649 -0.593 540 H PHE 68 HN PHE 68 3.614 -8.150 2.806 541 HA PHE 68 HA PHE 68 5.082 -9.716 4.706 542 1HB PHE 68 HB2 PHE 68 5.493 -7.754 5.751 543 2HB PHE 68 HB1 PHE 68 4.873 -7.043 4.268 544 HD1 PHE 68 HD1 PHE 68 4.228 -7.697 7.794 545 HD2 PHE 68 HD2 PHE 68 2.659 -6.038 4.203 546 HE1 PHE 68 HE1 PHE 68 2.509 -6.511 9.096 547 HE2 PHE 68 HE2 PHE 68 0.941 -4.853 5.500 548 HZ PHE 68 HZ PHE 68 0.864 -5.079 7.948 549 H GLU 69 HN GLU 69 1.783 -8.567 4.330 550 HA GLU 69 HA GLU 69 0.641 -10.762 5.686 551 1HB GLU 69 HB2 GLU 69 1.305 -8.422 7.305 552 2HB GLU 69 HB1 GLU 69 -0.404 -8.825 7.373 553 1HG GLU 69 HG2 GLU 69 -0.027 -10.860 8.369 554 2HG GLU 69 HG1 GLU 69 1.618 -10.980 7.748 555 H LYS 70 HN LYS 70 -1.402 -10.993 4.924 556 HA LYS 70 HA LYS 70 -2.599 -8.636 3.613 557 1HB LYS 70 HB2 LYS 70 -3.696 -10.170 2.073 558 2HB LYS 70 HB1 LYS 70 -1.957 -10.428 2.057 559 1HG LYS 70 HG2 LYS 70 -2.494 -12.589 2.235 560 2HG LYS 70 HG1 LYS 70 -2.738 -12.218 3.942 561 1HD LYS 70 HD2 LYS 70 -4.974 -12.437 3.798 562 2HD LYS 70 HD1 LYS 70 -5.046 -11.641 2.224 563 1HE LYS 70 HE2 LYS 70 -4.860 -13.587 1.079 564 2HE LYS 70 HE1 LYS 70 -3.799 -14.316 2.283 565 1HZ LYS 70 HZ1 LYS 70 -6.542 -13.851 3.119 566 2HZ LYS 70 HZ2 LYS 70 -5.527 -15.170 3.420 567 3HZ LYS 70 HZ3 LYS 70 -6.327 -15.041 1.935 568 H LEU 71 HN LEU 71 -4.574 -7.980 4.208 569 HA LEU 71 HA LEU 71 -6.054 -9.647 6.132 570 1HB LEU 71 HB2 LEU 71 -5.328 -7.613 7.168 571 2HB LEU 71 HB1 LEU 71 -5.893 -6.653 5.814 572 HG LEU 71 HG LEU 71 -8.241 -7.532 6.448 573 1HD1 LEU 71 1HD1 LEU 71 -7.891 -9.200 8.005 574 2HD1 LEU 71 2HD1 LEU 71 -8.282 -7.816 9.027 575 3HD1 LEU 71 3HD1 LEU 71 -6.602 -8.314 8.819 576 1HD2 LEU 71 1HD2 LEU 71 -6.600 -5.412 7.682 577 2HD2 LEU 71 2HD2 LEU 71 -8.122 -5.796 8.485 578 3HD2 LEU 71 3HD2 LEU 71 -8.118 -5.303 6.793 579 H GLU 72 HN GLU 72 -8.096 -10.244 5.659 580 HA GLU 72 HA GLU 72 -9.369 -9.025 3.300 581 1HB GLU 72 HB2 GLU 72 -8.761 -11.138 2.521 582 2HB GLU 72 HB1 GLU 72 -9.053 -11.906 4.073 583 1HG GLU 72 HG2 GLU 72 -11.330 -12.026 3.736 584 2HG GLU 72 HG1 GLU 72 -11.327 -10.734 2.537 585 H TYR 73 HN TYR 73 -11.044 -7.867 3.986 586 HA TYR 73 HA TYR 73 -12.972 -9.117 5.796 587 1HB TYR 73 HB2 TYR 73 -13.206 -7.033 7.093 588 2HB TYR 73 HB1 TYR 73 -11.596 -7.727 7.250 589 HD1 TYR 73 HD1 TYR 73 -13.313 -4.751 6.858 590 HD2 TYR 73 HD2 TYR 73 -9.904 -6.797 5.345 591 HE1 TYR 73 HE1 TYR 73 -12.332 -2.601 6.179 592 HE2 TYR 73 HE2 TYR 73 -8.913 -4.652 4.661 593 HH TYR 73 HH TYR 73 -10.707 -1.663 4.809 594 H GLU 74 HN GLU 74 -15.111 -8.253 5.631 595 HA GLU 74 HA GLU 74 -15.534 -6.712 3.156 596 1HB GLU 74 HB2 GLU 74 -17.853 -7.861 3.229 597 2HB GLU 74 HB1 GLU 74 -16.465 -8.780 2.662 598 1HG GLU 74 HG2 GLU 74 -16.269 -9.638 5.047 599 2HG GLU 74 HG1 GLU 74 -17.878 -8.966 5.299 600 H PHE 75 HN PHE 75 -16.848 -4.998 3.173 601 HA PHE 75 HA PHE 75 -17.707 -3.992 5.759 602 1HB PHE 75 HB2 PHE 75 -16.978 -2.839 3.139 603 2HB PHE 75 HB1 PHE 75 -18.263 -2.012 3.996 604 HD1 PHE 75 HD1 PHE 75 -17.359 -2.361 6.805 605 HD2 PHE 75 HD2 PHE 75 -15.185 -1.383 3.278 606 HE1 PHE 75 HE1 PHE 75 -15.676 -1.197 8.169 607 HE2 PHE 75 HE2 PHE 75 -13.498 -0.219 4.638 608 HZ PHE 75 HZ PHE 75 -13.741 -0.125 7.087 609 HA PRO 76 HA PRO 76 -22.057 -4.554 5.372 610 1HB PRO 76 HB2 PRO 76 -22.994 -1.916 5.391 611 2HB PRO 76 HB1 PRO 76 -22.703 -2.926 6.809 612 1HG PRO 76 HG2 PRO 76 -20.980 -0.823 5.591 613 2HG PRO 76 HG1 PRO 76 -21.201 -1.250 7.298 614 1HD PRO 76 HD2 PRO 76 -19.006 -1.971 5.936 615 2HD PRO 76 HD1 PRO 76 -19.717 -3.031 7.171 616 H ASP 77 HN ASP 77 -21.702 -5.283 3.183 617 HA ASP 77 HA ASP 77 -22.714 -5.437 1.111 618 1HB ASP 77 HB2 ASP 77 -24.189 -3.412 2.043 619 2HB ASP 77 HB1 ASP 77 -23.243 -2.521 0.855 620 H ARG 78 HN ARG 78 -19.961 -4.272 2.009 621 HA ARG 78 HA ARG 78 -19.071 -3.729 -0.730 622 1HB ARG 78 HB2 ARG 78 -19.303 -1.571 0.501 623 2HB ARG 78 HB1 ARG 78 -18.132 -2.156 1.675 624 1HG ARG 78 HG2 ARG 78 -16.400 -2.202 0.038 625 2HG ARG 78 HG1 ARG 78 -17.549 -1.876 -1.262 626 1HD ARG 78 HD2 ARG 78 -17.014 0.274 -1.001 627 2HD ARG 78 HD1 ARG 78 -17.965 0.215 0.482 628 HE ARG 78 HE ARG 78 -15.533 -0.626 1.294 629 1HH1 ARG 78 1HH1 ARG 78 -16.590 2.161 -0.524 630 2HH1 ARG 78 2HH1 ARG 78 -15.306 3.174 0.045 631 1HH2 ARG 78 1HH2 ARG 78 -13.845 0.706 2.044 632 2HH2 ARG 78 2HH2 ARG 78 -13.747 2.348 1.502 633 H HIS 79 HN HIS 79 -18.087 -5.712 -0.963 634 HA HIS 79 HA HIS 79 -16.364 -6.770 1.093 635 1HB HIS 79 HB2 HIS 79 -17.811 -8.061 -0.671 636 2HB HIS 79 HB1 HIS 79 -16.416 -7.814 -1.717 637 HD1 HIS 79 HD1 HIS 79 -17.721 -10.384 0.150 638 HD2 HIS 79 HD2 HIS 79 -13.959 -8.617 0.110 639 HE1 HIS 79 HE1 HIS 79 -16.162 -12.097 1.133 640 HE2 HIS 79 HE2 HIS 79 -13.879 -11.037 1.020 641 H ILE 80 HN ILE 80 -14.336 -6.101 1.398 642 HA ILE 80 HA ILE 80 -12.818 -5.241 -0.967 643 HB ILE 80 HB ILE 80 -11.785 -3.469 0.191 644 1HG1 ILE 80 2HG1 ILE 80 -13.096 -4.532 2.702 645 2HG1 ILE 80 1HG1 ILE 80 -11.377 -4.558 2.325 646 1HG2 ILE 80 1HG2 ILE 80 -14.479 -3.503 -0.271 647 2HG2 ILE 80 2HG2 ILE 80 -13.524 -2.073 0.117 648 3HG2 ILE 80 3HG2 ILE 80 -14.386 -2.929 1.394 649 1HD1 ILE 80 1HD1 ILE 80 -12.538 -1.889 2.230 650 2HD1 ILE 80 2HD1 ILE 80 -11.081 -2.471 3.035 651 3HD1 ILE 80 3HD1 ILE 80 -12.653 -2.661 3.812 652 H THR 81 HN THR 81 -10.960 -6.208 -1.308 653 HA THR 81 HA THR 81 -9.909 -8.015 0.736 654 HB THR 81 HB THR 81 -8.434 -8.431 -1.541 655 HG1 THR 81 HG1 THR 81 -10.007 -8.456 -3.225 656 1HG2 THR 81 1HG2 THR 81 -9.238 -10.475 -1.314 657 2HG2 THR 81 2HG2 THR 81 -10.850 -9.934 -1.782 658 3HG2 THR 81 3HG2 THR 81 -10.350 -9.857 -0.092 659 H LEU 82 HN LEU 82 -8.248 -7.300 1.943 660 HA LEU 82 HA LEU 82 -6.621 -5.096 0.894 661 1HB LEU 82 HB2 LEU 82 -7.728 -5.709 3.446 662 2HB LEU 82 HB1 LEU 82 -5.983 -5.697 3.602 663 HG LEU 82 HG LEU 82 -7.747 -3.442 2.661 664 1HD1 LEU 82 1HD1 LEU 82 -5.924 -2.720 4.702 665 2HD1 LEU 82 2HD1 LEU 82 -6.713 -4.218 5.194 666 3HD1 LEU 82 3HD1 LEU 82 -7.683 -2.805 4.780 667 1HD2 LEU 82 1HD2 LEU 82 -6.020 -2.864 1.352 668 2HD2 LEU 82 2HD2 LEU 82 -4.910 -3.973 2.157 669 3HD2 LEU 82 3HD2 LEU 82 -5.240 -2.390 2.861 670 H TRP 83 HN TRP 83 -4.799 -5.658 -0.062 671 HA TRP 83 HA TRP 83 -3.278 -7.943 1.007 672 1HB TRP 83 HB2 TRP 83 -3.342 -6.859 -1.819 673 2HB TRP 83 HB1 TRP 83 -2.286 -8.153 -1.261 674 HD1 TRP 83 HD1 TRP 83 -5.983 -7.931 -0.289 675 HE1 TRP 83 HE1 TRP 83 -7.213 -9.953 -1.263 676 HE3 TRP 83 HE3 TRP 83 -2.187 -9.905 -3.072 677 HZ2 TRP 83 HZ2 TRP 83 -6.654 -12.119 -2.993 678 HZ3 TRP 83 HZ3 TRP 83 -2.615 -11.958 -4.360 679 HH2 TRP 83 HH2 TRP 83 -4.802 -13.041 -4.319 680 H PHE 84 HN PHE 84 -1.428 -7.453 1.936 681 HA PHE 84 HA PHE 84 -0.146 -4.898 1.244 682 1HB PHE 84 HB2 PHE 84 0.045 -6.461 3.818 683 2HB PHE 84 HB1 PHE 84 0.966 -5.013 3.464 684 HD1 PHE 84 HD1 PHE 84 0.216 -3.210 4.672 685 HD2 PHE 84 HD2 PHE 84 -2.632 -5.966 3.106 686 HE1 PHE 84 HE1 PHE 84 -1.611 -1.831 5.565 687 HE2 PHE 84 HE2 PHE 84 -4.457 -4.586 3.999 688 HZ PHE 84 HZ PHE 84 -3.949 -2.519 5.231 689 H TRP 85 HN TRP 85 1.496 -5.200 -0.125 690 HA TRP 85 HA TRP 85 2.969 -7.708 -0.061 691 1HB TRP 85 HB2 TRP 85 2.839 -5.449 -2.044 692 2HB TRP 85 HB1 TRP 85 4.026 -6.746 -2.175 693 HD1 TRP 85 HD1 TRP 85 0.171 -6.613 -1.668 694 HE1 TRP 85 HE1 TRP 85 -0.883 -8.399 -3.184 695 HE3 TRP 85 HE3 TRP 85 4.425 -8.505 -3.774 696 HZ2 TRP 85 HZ2 TRP 85 -0.026 -10.358 -5.032 697 HZ3 TRP 85 HZ3 TRP 85 4.223 -10.335 -5.405 698 HH2 TRP 85 HH2 TRP 85 2.042 -11.242 -6.021 699 H LEU 86 HN LEU 86 5.070 -7.929 0.503 700 HA LEU 86 HA LEU 86 6.296 -5.688 1.874 701 1HB LEU 86 HB2 LEU 86 6.308 -7.778 3.025 702 2HB LEU 86 HB1 LEU 86 7.024 -8.598 1.651 703 HG LEU 86 HG LEU 86 9.105 -7.308 1.982 704 1HD1 LEU 86 1HD1 LEU 86 7.427 -5.984 4.021 705 2HD1 LEU 86 2HD1 LEU 86 8.732 -5.338 3.024 706 3HD1 LEU 86 3HD1 LEU 86 9.107 -6.297 4.455 707 1HD2 LEU 86 1HD2 LEU 86 8.533 -8.501 4.641 708 2HD2 LEU 86 2HD2 LEU 86 9.917 -8.728 3.572 709 3HD2 LEU 86 3HD2 LEU 86 8.388 -9.533 3.218 710 H VAL 87 HN VAL 87 7.243 -4.296 0.526 711 HA VAL 87 HA VAL 87 8.711 -5.116 -1.828 712 HB VAL 87 HB VAL 87 8.564 -2.405 -0.572 713 1HG1 VAL 87 1HG1 VAL 87 8.828 -1.886 -3.159 714 2HG1 VAL 87 2HG1 VAL 87 9.636 -3.450 -3.115 715 3HG1 VAL 87 3HG1 VAL 87 10.214 -2.136 -2.101 716 1HG2 VAL 87 1HG2 VAL 87 6.534 -3.968 -1.889 717 2HG2 VAL 87 2HG2 VAL 87 6.883 -2.507 -2.816 718 3HG2 VAL 87 3HG2 VAL 87 6.394 -2.381 -1.125 719 H GLU 88 HN GLU 88 10.930 -4.931 -2.154 720 HA GLU 88 HA GLU 88 12.389 -4.627 0.369 721 1HB GLU 88 HB2 GLU 88 12.610 -6.854 -0.510 722 2HB GLU 88 HB1 GLU 88 13.099 -6.235 -2.081 723 1HG GLU 88 HG2 GLU 88 15.158 -5.378 -1.127 724 2HG GLU 88 HG1 GLU 88 14.664 -5.930 0.472 725 H ARG 89 HN ARG 89 12.242 -3.326 -2.894 726 HA ARG 89 HA ARG 89 14.009 -1.223 -2.096 727 1HB ARG 89 HB2 ARG 89 15.959 -2.055 -2.773 728 2HB ARG 89 HB1 ARG 89 15.171 -3.526 -3.305 729 1HG ARG 89 HG2 ARG 89 15.728 -3.040 -5.388 730 2HG ARG 89 HG1 ARG 89 14.737 -1.590 -5.324 731 1HD ARG 89 HD2 ARG 89 17.657 -1.871 -4.671 732 2HD ARG 89 HD1 ARG 89 16.917 -0.905 -5.947 733 HE ARG 89 HE ARG 89 16.121 -0.160 -3.279 734 1HH1 ARG 89 1HH1 ARG 89 18.453 0.328 -5.830 735 2HH1 ARG 89 2HH1 ARG 89 18.915 1.902 -5.274 736 1HH2 ARG 89 1HH2 ARG 89 16.728 1.909 -2.549 737 2HH2 ARG 89 2HH2 ARG 89 17.937 2.799 -3.413 738 H TRP 90 HN TRP 90 14.337 0.406 -3.841 739 HA TRP 90 HA TRP 90 12.681 0.202 -6.159 740 1HB TRP 90 HB2 TRP 90 10.950 1.613 -5.657 741 2HB TRP 90 HB1 TRP 90 11.226 0.905 -4.076 742 HD1 TRP 90 HD1 TRP 90 12.258 4.107 -6.018 743 HE1 TRP 90 HE1 TRP 90 12.352 6.046 -4.328 744 HE3 TRP 90 HE3 TRP 90 11.246 1.497 -1.738 745 HZ2 TRP 90 HZ2 TRP 90 12.033 6.420 -1.552 746 HZ3 TRP 90 HZ3 TRP 90 11.152 2.731 0.394 747 HH2 TRP 90 HH2 TRP 90 11.538 5.138 0.482 748 H GLU 91 HN GLU 91 13.739 1.119 -7.757 749 HA GLU 91 HA GLU 91 15.961 2.860 -7.228 750 1HB GLU 91 HB2 GLU 91 16.037 1.176 -9.018 751 2HB GLU 91 HB1 GLU 91 14.728 2.002 -9.852 752 1HG GLU 91 HG2 GLU 91 16.068 3.666 -10.607 753 2HG GLU 91 HG1 GLU 91 17.135 3.596 -9.206 754 H GLY 92 HN GLY 92 16.253 4.984 -8.078 755 1HA GLY 92 HA2 GLY 92 15.607 7.167 -8.360 756 2HA GLY 92 HA1 GLY 92 14.343 6.517 -9.393 757 H GLU 93 HN GLU 93 12.389 7.167 -8.831 758 HA GLU 93 HA GLU 93 11.718 7.315 -5.979 759 1HB GLU 93 HB2 GLU 93 12.233 9.596 -6.878 760 2HB GLU 93 HB1 GLU 93 10.895 9.402 -8.002 761 1HG GLU 93 HG2 GLU 93 9.310 9.342 -6.231 762 2HG GLU 93 HG1 GLU 93 10.585 9.240 -5.017 763 HA PRO 94 HA PRO 94 8.095 5.126 -7.308 764 1HB PRO 94 HB2 PRO 94 6.643 6.005 -4.964 765 2HB PRO 94 HB1 PRO 94 7.359 4.424 -5.282 766 1HG PRO 94 HG2 PRO 94 8.281 6.141 -3.370 767 2HG PRO 94 HG1 PRO 94 9.297 4.938 -4.183 768 1HD PRO 94 HD2 PRO 94 9.034 7.873 -4.721 769 2HD PRO 94 HD1 PRO 94 10.494 6.859 -4.687 770 H TRP 95 HN TRP 95 6.549 5.709 -8.731 771 HA TRP 95 HA TRP 95 5.075 8.169 -8.181 772 1HB TRP 95 HB2 TRP 95 5.199 8.751 -10.633 773 2HB TRP 95 HB1 TRP 95 6.686 8.954 -9.723 774 HD1 TRP 95 HD1 TRP 95 8.720 7.332 -10.328 775 HE1 TRP 95 HE1 TRP 95 9.246 5.940 -12.437 776 HE3 TRP 95 HE3 TRP 95 4.059 7.224 -12.394 777 HZ2 TRP 95 HZ2 TRP 95 7.858 4.958 -14.685 778 HZ3 TRP 95 HZ3 TRP 95 3.738 6.048 -14.530 779 HH2 TRP 95 HH2 TRP 95 5.598 4.928 -15.646 780 H GLY 96 HN GLY 96 5.241 5.580 -10.624 781 1HA GLY 96 HA2 GLY 96 3.569 4.334 -11.606 782 2HA GLY 96 HA1 GLY 96 2.809 4.383 -10.026 783 H LYS 97 HN LYS 97 1.077 5.709 -9.671 784 HA LYS 97 HA LYS 97 0.325 7.919 -11.190 785 1HB LYS 97 HB2 LYS 97 0.002 5.620 -12.684 786 2HB LYS 97 HB1 LYS 97 -1.611 5.910 -12.050 787 1HG LYS 97 HG2 LYS 97 0.017 7.993 -13.484 788 2HG LYS 97 HG1 LYS 97 -1.150 6.934 -14.277 789 1HD LYS 97 HD2 LYS 97 -1.871 8.688 -11.942 790 2HD LYS 97 HD1 LYS 97 -1.983 9.237 -13.615 791 1HE LYS 97 HE2 LYS 97 -3.269 6.657 -12.867 792 2HE LYS 97 HE1 LYS 97 -4.050 8.161 -12.379 793 1HZ LYS 97 HZ1 LYS 97 -4.981 7.871 -14.416 794 2HZ LYS 97 HZ2 LYS 97 -3.640 7.064 -15.059 795 3HZ LYS 97 HZ3 LYS 97 -3.611 8.747 -14.888 796 H GLU 98 HN GLU 98 0.162 6.584 -8.450 797 HA GLU 98 HA GLU 98 -2.578 6.270 -7.804 798 1HB GLU 98 HB2 GLU 98 -0.020 6.550 -6.313 799 2HB GLU 98 HB1 GLU 98 -1.509 6.841 -5.428 800 1HG GLU 98 HG2 GLU 98 -1.658 4.451 -7.040 801 2HG GLU 98 HG1 GLU 98 -0.315 4.411 -5.901 802 H GLY 99 HN GLY 99 -0.392 9.005 -7.915 803 1HA GLY 99 HA2 GLY 99 -0.919 11.257 -8.040 804 2HA GLY 99 HA1 GLY 99 -2.613 10.839 -7.837 805 H GLN 100 HN GLN 100 -0.016 9.915 -5.644 806 HA GLN 100 HA GLN 100 -0.918 11.918 -3.710 807 1HB GLN 100 HB2 GLN 100 -0.713 8.966 -3.091 808 2HB GLN 100 HB1 GLN 100 -1.059 10.236 -1.926 809 1HG GLN 100 HG2 GLN 100 -3.178 10.639 -2.814 810 2HG GLN 100 HG1 GLN 100 -2.805 9.800 -4.319 811 1HE2 GLN 100 1HE2 GLN 100 -4.798 9.534 -1.951 812 2HE2 GLN 100 2HE2 GLN 100 -4.806 7.832 -1.651 813 HA PRO 101 HA PRO 101 3.645 12.214 -4.036 814 1HB PRO 101 HB2 PRO 101 2.713 14.293 -2.086 815 2HB PRO 101 HB1 PRO 101 3.986 14.408 -3.310 816 1HG PRO 101 HG2 PRO 101 1.625 15.475 -3.789 817 2HG PRO 101 HG1 PRO 101 2.444 14.550 -5.064 818 1HD PRO 101 HD2 PRO 101 0.122 13.785 -3.362 819 2HD PRO 101 HD1 PRO 101 0.489 13.341 -5.042 820 H GLY 102 HN GLY 102 5.136 11.268 -2.750 821 1HA GLY 102 HA2 GLY 102 4.480 10.878 0.098 822 2HA GLY 102 HA1 GLY 102 5.016 9.522 -0.881 823 H GLU 103 HN GLU 103 6.492 9.850 1.229 824 HA GLU 103 HA GLU 103 9.001 10.909 0.179 825 1HB GLU 103 HB2 GLU 103 7.620 12.495 1.861 826 2HB GLU 103 HB1 GLU 103 8.490 11.519 3.036 827 1HG GLU 103 HG2 GLU 103 10.121 12.576 0.835 828 2HG GLU 103 HG1 GLU 103 9.441 13.785 1.923 829 H TRP 104 HN TRP 104 10.892 10.068 1.305 830 HA TRP 104 HA TRP 104 10.483 7.334 2.107 831 1HB TRP 104 HB2 TRP 104 13.164 8.577 2.446 832 2HB TRP 104 HB1 TRP 104 12.727 7.021 1.751 833 HD1 TRP 104 HD1 TRP 104 10.744 8.225 -0.526 834 HE1 TRP 104 HE1 TRP 104 11.805 9.376 -2.569 835 HE3 TRP 104 HE3 TRP 104 15.335 9.316 1.445 836 HZ2 TRP 104 HZ2 TRP 104 14.261 10.586 -3.256 837 HZ3 TRP 104 HZ3 TRP 104 16.983 10.470 0.028 838 HH2 TRP 104 HH2 TRP 104 16.456 11.091 -2.274 839 H MET 105 HN MET 105 9.717 6.950 4.078 840 HA MET 105 HA MET 105 10.940 8.378 6.348 841 1HB MET 105 HB2 MET 105 8.842 8.137 7.555 842 2HB MET 105 HB1 MET 105 8.571 8.974 6.033 843 1HG MET 105 HG2 MET 105 7.626 7.022 5.043 844 2HG MET 105 HG1 MET 105 8.088 6.033 6.427 845 1HE MET 105 HE1 MET 105 6.951 7.630 9.131 846 2HE MET 105 HE2 MET 105 7.162 5.977 8.555 847 3HE MET 105 HE3 MET 105 5.565 6.543 9.043 848 H SER 106 HN SER 106 10.925 7.128 8.403 849 HA SER 106 HA SER 106 11.967 4.491 7.931 850 1HB SER 106 HB2 SER 106 11.975 4.586 10.584 851 2HB SER 106 HB1 SER 106 13.155 5.491 9.636 852 HG SER 106 HG SER 106 12.364 7.227 10.487 853 H LEU 107 HN LEU 107 10.709 2.769 7.698 854 HA LEU 107 HA LEU 107 7.972 2.742 8.518 855 1HB LEU 107 HB2 LEU 107 9.173 1.503 6.549 856 2HB LEU 107 HB1 LEU 107 9.467 0.266 7.757 857 HG LEU 107 HG LEU 107 7.471 -0.201 6.393 858 1HD1 LEU 107 1HD1 LEU 107 6.257 0.359 9.010 859 2HD1 LEU 107 2HD1 LEU 107 7.770 -0.548 9.054 860 3HD1 LEU 107 3HD1 LEU 107 6.402 -1.158 8.122 861 1HD2 LEU 107 1HD2 LEU 107 6.220 2.193 7.722 862 2HD2 LEU 107 2HD2 LEU 107 5.528 1.159 6.471 863 3HD2 LEU 107 3HD2 LEU 107 6.879 2.226 6.086 864 H VAL 108 HN VAL 108 10.968 1.635 9.894 865 HA VAL 108 HA VAL 108 10.121 -0.311 11.666 866 HB VAL 108 HB VAL 108 12.484 0.269 11.331 867 1HG1 VAL 108 1HG1 VAL 108 13.396 2.214 12.653 868 2HG1 VAL 108 2HG1 VAL 108 11.732 2.771 12.825 869 3HG1 VAL 108 3HG1 VAL 108 12.455 2.635 11.222 870 1HG2 VAL 108 1HG2 VAL 108 11.936 -1.029 13.277 871 2HG2 VAL 108 2HG2 VAL 108 11.519 0.424 14.184 872 3HG2 VAL 108 3HG2 VAL 108 13.192 0.130 13.710 873 H GLY 109 HN GLY 109 9.474 3.081 11.710 874 1HA GLY 109 HA2 GLY 109 8.249 2.781 14.380 875 2HA GLY 109 HA1 GLY 109 9.018 4.269 13.850 876 H LEU 110 HN LEU 110 6.838 2.127 12.061 877 HA LEU 110 HA LEU 110 5.311 4.237 10.996 878 1HB LEU 110 HB2 LEU 110 5.554 1.748 10.255 879 2HB LEU 110 HB1 LEU 110 4.211 1.471 11.345 880 HG LEU 110 HG LEU 110 2.774 2.901 10.058 881 1HD1 LEU 110 1HD1 LEU 110 4.021 4.698 9.324 882 2HD1 LEU 110 2HD1 LEU 110 3.786 3.787 7.833 883 3HD1 LEU 110 3HD1 LEU 110 5.318 3.679 8.700 884 1HD2 LEU 110 1HD2 LEU 110 2.589 1.634 8.066 885 2HD2 LEU 110 2HD2 LEU 110 3.225 0.542 9.297 886 3HD2 LEU 110 3HD2 LEU 110 4.305 1.226 8.084 887 H ASN 111 HN ASN 111 3.230 5.001 11.516 888 HA ASN 111 HA ASN 111 2.325 4.311 14.226 889 1HB ASN 111 HB2 ASN 111 3.204 6.820 13.217 890 2HB ASN 111 HB1 ASN 111 1.487 6.946 13.573 891 1HD2 ASN 111 1HD2 ASN 111 1.425 8.049 15.415 892 2HD2 ASN 111 2HD2 ASN 111 2.247 7.610 16.870 893 H ALA 112 HN ALA 112 0.284 3.797 14.527 894 HA ALA 112 HA ALA 112 -1.452 3.465 12.289 895 1HB ALA 112 HB1 ALA 112 -2.442 3.284 15.102 896 2HB ALA 112 HB2 ALA 112 -1.288 2.089 14.509 897 3HB ALA 112 HB3 ALA 112 -2.845 2.288 13.702 898 H ASP 113 HN ASP 113 -0.784 6.056 14.394 899 HA ASP 113 HA ASP 113 -3.381 7.279 14.334 900 1HB ASP 113 HB2 ASP 113 -1.794 7.654 16.191 901 2HB ASP 113 HB1 ASP 113 -0.706 8.477 15.077 902 H ASP 114 HN ASP 114 -0.262 7.968 12.740 903 HA ASP 114 HA ASP 114 -1.237 10.145 11.219 904 1HB ASP 114 HB2 ASP 114 0.917 8.950 9.807 905 2HB ASP 114 HB1 ASP 114 0.929 10.407 10.781 906 H PHE 115 HN PHE 115 -1.143 6.702 10.669 907 HA PHE 115 HA PHE 115 -2.003 6.983 7.909 908 1HB PHE 115 HB2 PHE 115 -1.237 4.867 7.654 909 2HB PHE 115 HB1 PHE 115 -0.503 5.097 9.240 910 HD1 PHE 115 HD1 PHE 115 -2.689 4.881 11.048 911 HD2 PHE 115 HD2 PHE 115 -1.949 2.670 7.504 912 HE1 PHE 115 HE1 PHE 115 -3.995 3.011 11.961 913 HE2 PHE 115 HE2 PHE 115 -3.254 0.795 8.402 914 HZ PHE 115 HZ PHE 115 -4.279 0.968 10.632 915 HA PRO 116 HA PRO 116 -6.338 6.382 8.577 916 1HB PRO 116 HB2 PRO 116 -7.095 4.401 6.897 917 2HB PRO 116 HB1 PRO 116 -6.605 5.999 6.319 918 1HG PRO 116 HG2 PRO 116 -5.023 3.460 6.440 919 2HG PRO 116 HG1 PRO 116 -5.109 4.664 5.141 920 1HD PRO 116 HD2 PRO 116 -3.061 4.558 6.920 921 2HD PRO 116 HD1 PRO 116 -3.611 6.070 6.173 922 HA PRO 117 HA PRO 117 -6.465 3.230 11.780 923 1HB PRO 117 HB2 PRO 117 -9.066 3.671 12.527 924 2HB PRO 117 HB1 PRO 117 -7.699 4.644 13.077 925 1HG PRO 117 HG2 PRO 117 -9.657 5.195 10.883 926 2HG PRO 117 HG1 PRO 117 -9.003 6.302 12.105 927 1HD PRO 117 HD2 PRO 117 -8.076 6.280 9.585 928 2HD PRO 117 HD1 PRO 117 -7.003 6.575 10.968 929 H ALA 118 HN ALA 118 -8.429 3.362 8.958 930 HA ALA 118 HA ALA 118 -9.981 1.028 9.453 931 1HB ALA 118 HB1 ALA 118 -9.410 1.906 6.676 932 2HB ALA 118 HB2 ALA 118 -10.301 2.997 7.735 933 3HB ALA 118 HB3 ALA 118 -10.927 1.381 7.406 934 H ASN 119 HN ASN 119 -6.726 1.403 8.770 935 HA ASN 119 HA ASN 119 -6.562 -1.334 7.689 936 1HB ASN 119 HB2 ASN 119 -5.317 1.192 6.877 937 2HB ASN 119 HB1 ASN 119 -4.178 -0.143 7.009 938 1HD2 ASN 119 1HD2 ASN 119 -7.569 -0.356 6.094 939 2HD2 ASN 119 2HD2 ASN 119 -7.288 -0.891 4.477 940 H GLU 120 HN GLU 120 -6.611 -0.547 10.504 941 HA GLU 120 HA GLU 120 -3.933 -0.643 11.506 942 1HB GLU 120 HB2 GLU 120 -6.544 -0.160 12.569 943 2HB GLU 120 HB1 GLU 120 -5.728 -1.355 13.567 944 1HG GLU 120 HG2 GLU 120 -4.031 0.899 12.853 945 2HG GLU 120 HG1 GLU 120 -5.465 1.360 13.770 946 HA PRO 121 HA PRO 121 -5.532 -5.244 12.584 947 1HB PRO 121 HB2 PRO 121 -6.343 -5.689 9.745 948 2HB PRO 121 HB1 PRO 121 -6.985 -6.415 11.224 949 1HG PRO 121 HG2 PRO 121 -8.329 -4.488 9.977 950 2HG PRO 121 HG1 PRO 121 -8.255 -4.541 11.748 951 1HD PRO 121 HD2 PRO 121 -6.834 -2.743 9.843 952 2HD PRO 121 HD1 PRO 121 -7.438 -2.407 11.478 953 H VAL 122 HN VAL 122 -4.350 -4.294 9.362 954 HA VAL 122 HA VAL 122 -2.450 -6.441 9.248 955 HB VAL 122 HB VAL 122 -2.175 -4.032 7.507 956 1HG1 VAL 122 1HG1 VAL 122 -1.012 -6.523 7.572 957 2HG1 VAL 122 2HG1 VAL 122 -0.999 -5.408 6.206 958 3HG1 VAL 122 3HG1 VAL 122 -2.219 -6.678 6.296 959 1HG2 VAL 122 1HG2 VAL 122 -4.313 -4.079 6.881 960 2HG2 VAL 122 2HG2 VAL 122 -4.619 -5.577 7.762 961 3HG2 VAL 122 3HG2 VAL 122 -3.957 -5.636 6.131 962 H ILE 123 HN ILE 123 -2.211 -2.913 9.580 963 HA ILE 123 HA ILE 123 0.578 -2.826 9.919 964 HB ILE 123 HB ILE 123 -1.558 -0.890 10.807 965 1HG1 ILE 123 2HG1 ILE 123 -0.694 -1.559 8.270 966 2HG1 ILE 123 1HG1 ILE 123 -1.502 -0.063 8.714 967 1HG2 ILE 123 1HG2 ILE 123 0.277 -0.396 12.188 968 2HG2 ILE 123 2HG2 ILE 123 0.393 0.743 10.847 969 3HG2 ILE 123 3HG2 ILE 123 1.436 -0.679 10.889 970 1HD1 ILE 123 1HD1 ILE 123 1.472 -0.484 8.603 971 2HD1 ILE 123 2HD1 ILE 123 0.652 1.022 9.022 972 3HD1 ILE 123 3HD1 ILE 123 0.495 0.353 7.395 973 H ALA 124 HN ALA 124 -2.044 -3.349 12.185 974 HA ALA 124 HA ALA 124 -0.751 -2.845 14.590 975 1HB ALA 124 HB1 ALA 124 -3.121 -3.306 14.502 976 2HB ALA 124 HB2 ALA 124 -2.340 -4.457 15.586 977 3HB ALA 124 HB3 ALA 124 -2.813 -4.957 13.963 978 H LYS 125 HN LYS 125 -0.497 -5.541 12.394 979 HA LYS 125 HA LYS 125 0.888 -7.281 14.190 980 1HB LYS 125 HB2 LYS 125 0.121 -7.287 11.350 981 2HB LYS 125 HB1 LYS 125 1.598 -8.170 11.711 982 1HG LYS 125 HG2 LYS 125 -0.381 -9.607 11.755 983 2HG LYS 125 HG1 LYS 125 0.427 -9.540 13.322 984 1HD LYS 125 HD2 LYS 125 -1.230 -7.761 13.978 985 2HD LYS 125 HD1 LYS 125 -2.101 -8.129 12.487 986 1HE LYS 125 HE2 LYS 125 -2.719 -10.238 13.215 987 2HE LYS 125 HE1 LYS 125 -1.406 -10.327 14.390 988 1HZ LYS 125 HZ1 LYS 125 -2.690 -8.352 15.466 989 2HZ LYS 125 HZ2 LYS 125 -3.195 -9.943 15.739 990 3HZ LYS 125 HZ3 LYS 125 -4.006 -8.982 14.608 991 H LEU 126 HN LEU 126 2.008 -5.293 11.439 992 HA LEU 126 HA LEU 126 4.769 -5.832 12.005 993 1HB LEU 126 HB2 LEU 126 3.316 -4.884 9.820 994 2HB LEU 126 HB1 LEU 126 4.321 -3.533 10.303 995 HG LEU 126 HG LEU 126 6.326 -4.844 10.029 996 1HD1 LEU 126 1HD1 LEU 126 5.832 -7.192 8.877 997 2HD1 LEU 126 2HD1 LEU 126 4.399 -7.086 9.898 998 3HD1 LEU 126 3HD1 LEU 126 6.005 -7.009 10.622 999 1HD2 LEU 126 1HD2 LEU 126 4.354 -4.696 7.819 1000 2HD2 LEU 126 2HD2 LEU 126 5.823 -5.630 7.543 1001 3HD2 LEU 126 3HD2 LEU 126 5.933 -3.927 7.984 1002 H LYS 127 HN LYS 127 2.521 -3.243 12.707 1003 HA LYS 127 HA LYS 127 4.236 -1.181 13.378 1004 1HB LYS 127 HB2 LYS 127 1.763 -1.074 13.287 1005 2HB LYS 127 HB1 LYS 127 1.692 -1.905 14.828 1006 1HG LYS 127 HG2 LYS 127 2.567 -0.093 15.989 1007 2HG LYS 127 HG1 LYS 127 3.229 0.644 14.528 1008 1HD LYS 127 HD2 LYS 127 1.407 1.961 14.647 1009 2HD LYS 127 HD1 LYS 127 0.581 0.576 13.928 1010 1HE LYS 127 HE2 LYS 127 0.861 0.579 16.873 1011 2HE LYS 127 HE1 LYS 127 -0.241 1.770 16.182 1012 1HZ LYS 127 HZ1 LYS 127 -1.525 -0.131 16.599 1013 2HZ LYS 127 HZ2 LYS 127 -0.366 -1.177 15.950 1014 3HZ LYS 127 HZ3 LYS 127 -1.248 -0.156 14.930 1015 H ARG 128 HN ARG 128 3.138 -3.898 15.352 1016 HA ARG 128 HA ARG 128 4.458 -3.074 17.727 1017 1HB ARG 128 HB2 ARG 128 2.632 -4.657 17.846 1018 2HB ARG 128 HB1 ARG 128 3.487 -5.786 16.806 1019 1HG ARG 128 HG2 ARG 128 5.172 -6.124 18.527 1020 2HG ARG 128 HG1 ARG 128 4.357 -4.956 19.568 1021 1HD ARG 128 HD2 ARG 128 2.771 -6.425 20.183 1022 2HD ARG 128 HD1 ARG 128 2.633 -7.105 18.562 1023 HE ARG 128 HE ARG 128 5.050 -7.848 19.929 1024 1HH1 ARG 128 1HH1 ARG 128 1.688 -8.638 19.425 1025 2HH1 ARG 128 2HH1 ARG 128 1.889 -10.306 19.848 1026 1HH2 ARG 128 1HH2 ARG 128 5.315 -10.040 20.484 1027 2HH2 ARG 128 2HH2 ARG 128 3.947 -11.102 20.449 1028 H LEU 129 HN LEU 129 5.606 -4.154 14.775 1029 HA LEU 129 HA LEU 129 7.654 -4.797 14.018 1030 1HB LEU 129 HB2 LEU 129 8.274 -3.511 16.632 1031 2HB LEU 129 HB1 LEU 129 9.549 -4.419 15.842 1032 HG LEU 129 HG LEU 129 9.286 -2.994 13.833 1033 1HD1 LEU 129 1HD1 LEU 129 6.874 -2.417 14.411 1034 2HD1 LEU 129 2HD1 LEU 129 7.884 -1.117 13.778 1035 3HD1 LEU 129 3HD1 LEU 129 7.547 -1.211 15.506 1036 1HD2 LEU 129 1HD2 LEU 129 11.025 -2.100 14.942 1037 2HD2 LEU 129 2HD2 LEU 129 10.159 -2.059 16.477 1038 3HD2 LEU 129 3HD2 LEU 129 9.898 -0.787 15.283 1039 1HO1 MO2 130 1HO1 MO2 130 -6.742 3.627 -11.443 1040 2HO1 MO2 130 2HO1 MO2 130 -4.208 3.736 -8.453 1041 1HO2 MO2 130 1HO2 MO2 130 -6.608 2.525 -12.469 1042 2HO2 MO2 130 2HO2 MO2 130 -4.744 4.508 -9.637 1043 1H5* 8OG 131 1H5* 8OG 131 -12.479 4.517 -3.372 1044 2H5* 8OG 131 2H5* 8OG 131 -12.130 4.647 -1.675 1045 H4* 8OG 131 1H4* 8OG 131 -10.525 3.224 -3.787 1046 H3* 8OG 131 1H3* 8OG 131 -12.630 2.277 -2.147 1047 1H2* 8OG 131 1H2* 8OG 131 -11.579 1.140 -0.534 1048 2H2* 8OG 131 2H2* 8OG 131 -10.630 0.285 -1.728 1049 H1* 8OG 131 1H1* 8OG 131 -8.833 1.484 -1.259 1050 H1 8OG 131 H1 8OG 131 -5.633 1.310 3.755 1051 H7 8OG 131 H7 8OG 131 -10.333 2.942 3.409 1052 1H2 8OG 131 H21 8OG 131 -4.698 0.509 0.480 1053 2H2 8OG 131 H22 8OG 131 -4.223 0.576 2.145 1054 H3T 8OG 131 *HO1 8OG 131 -12.268 1.723 -4.376 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -24.844 -7.394 -5.004 2 2H MET 1 HT2 MET 1 -25.174 -6.564 -3.538 3 3H MET 1 HT3 MET 1 -25.672 -8.195 -3.735 4 HA MET 1 HA MET 1 -23.652 -7.764 -2.354 5 1HB MET 1 HB2 MET 1 -22.577 -9.786 -3.273 6 2HB MET 1 HB1 MET 1 -24.323 -9.960 -3.167 7 1HG MET 1 HG2 MET 1 -24.355 -10.553 -5.293 8 2HG MET 1 HG1 MET 1 -23.805 -8.934 -5.722 9 1HE MET 1 HE1 MET 1 -23.193 -12.496 -6.337 10 2HE MET 1 HE2 MET 1 -21.785 -12.242 -7.368 11 3HE MET 1 HE3 MET 1 -23.252 -11.299 -7.631 12 H LYS 2 HN LYS 2 -22.526 -5.835 -2.587 13 HA LYS 2 HA LYS 2 -20.978 -5.354 -4.994 14 1HB LYS 2 HB2 LYS 2 -22.181 -3.655 -3.289 15 2HB LYS 2 HB1 LYS 2 -20.571 -3.672 -2.586 16 1HG LYS 2 HG2 LYS 2 -19.665 -2.524 -4.295 17 2HG LYS 2 HG1 LYS 2 -20.671 -3.324 -5.504 18 1HD LYS 2 HD2 LYS 2 -21.754 -1.276 -3.583 19 2HD LYS 2 HD1 LYS 2 -21.081 -0.845 -5.156 20 1HE LYS 2 HE2 LYS 2 -23.338 -2.802 -4.752 21 2HE LYS 2 HE1 LYS 2 -23.564 -1.095 -5.132 22 1HZ LYS 2 HZ1 LYS 2 -22.517 -3.251 -6.828 23 2HZ LYS 2 HZ2 LYS 2 -21.991 -1.668 -7.104 24 3HZ LYS 2 HZ3 LYS 2 -23.639 -2.040 -7.200 25 H LYS 3 HN LYS 3 -18.848 -5.696 -5.244 26 HA LYS 3 HA LYS 3 -17.214 -6.326 -2.899 27 1HB LYS 3 HB2 LYS 3 -16.188 -8.227 -4.262 28 2HB LYS 3 HB1 LYS 3 -17.781 -8.508 -3.573 29 1HG LYS 3 HG2 LYS 3 -18.777 -8.646 -5.587 30 2HG LYS 3 HG1 LYS 3 -17.748 -7.402 -6.301 31 1HD LYS 3 HD2 LYS 3 -16.375 -9.904 -5.592 32 2HD LYS 3 HD1 LYS 3 -17.580 -10.049 -6.873 33 1HE LYS 3 HE2 LYS 3 -16.416 -8.704 -8.309 34 2HE LYS 3 HE1 LYS 3 -15.661 -7.784 -7.008 35 1HZ LYS 3 HZ1 LYS 3 -14.838 -10.323 -8.211 36 2HZ LYS 3 HZ2 LYS 3 -14.505 -10.082 -6.571 37 3HZ LYS 3 HZ3 LYS 3 -13.897 -9.004 -7.724 38 H LEU 4 HN LEU 4 -15.337 -5.285 -2.951 39 HA LEU 4 HA LEU 4 -14.187 -4.548 -5.551 40 1HB LEU 4 HB2 LEU 4 -13.651 -2.333 -4.756 41 2HB LEU 4 HB1 LEU 4 -15.379 -2.607 -4.632 42 HG LEU 4 HG LEU 4 -14.129 -3.328 -2.151 43 1HD1 LEU 4 1HD1 LEU 4 -13.768 -0.428 -2.566 44 2HD1 LEU 4 2HD1 LEU 4 -12.558 -1.488 -3.288 45 3HD1 LEU 4 3HD1 LEU 4 -12.866 -1.555 -1.552 46 1HD2 LEU 4 1HD2 LEU 4 -15.669 -1.561 -1.306 47 2HD2 LEU 4 2HD2 LEU 4 -16.452 -2.776 -2.316 48 3HD2 LEU 4 3HD2 LEU 4 -16.079 -1.186 -2.980 49 H GLN 5 HN GLN 5 -11.980 -4.651 -5.678 50 HA GLN 5 HA GLN 5 -10.622 -5.755 -3.325 51 1HB GLN 5 HB2 GLN 5 -9.504 -5.875 -6.101 52 2HB GLN 5 HB1 GLN 5 -9.215 -6.953 -4.743 53 1HG GLN 5 HG2 GLN 5 -11.451 -7.857 -4.954 54 2HG GLN 5 HG1 GLN 5 -11.791 -6.737 -6.267 55 1HE2 GLN 5 1HE2 GLN 5 -9.668 -9.384 -5.308 56 2HE2 GLN 5 2HE2 GLN 5 -9.414 -9.999 -6.901 57 H ILE 6 HN ILE 6 -8.557 -5.087 -2.762 58 HA ILE 6 HA ILE 6 -7.495 -2.669 -4.001 59 HB ILE 6 HB ILE 6 -7.156 -2.464 -1.148 60 1HG1 ILE 6 2HG1 ILE 6 -9.386 -3.694 -1.207 61 2HG1 ILE 6 1HG1 ILE 6 -9.379 -2.146 -0.373 62 1HG2 ILE 6 1HG2 ILE 6 -8.112 -0.812 -3.410 63 2HG2 ILE 6 2HG2 ILE 6 -6.815 -0.511 -2.253 64 3HG2 ILE 6 3HG2 ILE 6 -8.497 -0.274 -1.776 65 1HD1 ILE 6 1HD1 ILE 6 -10.055 -1.858 -3.169 66 2HD1 ILE 6 2HD1 ILE 6 -10.923 -1.321 -1.730 67 3HD1 ILE 6 3HD1 ILE 6 -11.142 -2.964 -2.331 68 H ALA 7 HN ALA 7 -5.274 -2.553 -3.979 69 HA ALA 7 HA ALA 7 -3.854 -4.693 -2.527 70 1HB ALA 7 HB1 ALA 7 -2.194 -4.355 -4.566 71 2HB ALA 7 HB2 ALA 7 -3.681 -3.870 -5.382 72 3HB ALA 7 HB3 ALA 7 -3.553 -5.473 -4.651 73 H VAL 8 HN VAL 8 -1.959 -4.087 -1.501 74 HA VAL 8 HA VAL 8 -0.939 -1.409 -2.005 75 HB VAL 8 HB VAL 8 -1.971 -0.516 -0.257 76 1HG1 VAL 8 1HG1 VAL 8 -2.487 -3.236 0.936 77 2HG1 VAL 8 2HG1 VAL 8 -3.554 -2.411 -0.200 78 3HG1 VAL 8 3HG1 VAL 8 -3.257 -1.717 1.394 79 1HG2 VAL 8 1HG2 VAL 8 -0.957 -0.817 1.936 80 2HG2 VAL 8 2HG2 VAL 8 0.279 -0.782 0.679 81 3HG2 VAL 8 3HG2 VAL 8 -0.204 -2.317 1.398 82 H GLY 9 HN GLY 9 1.158 -1.033 -1.275 83 1HA GLY 9 HA2 GLY 9 2.625 -3.241 -0.073 84 2HA GLY 9 HA1 GLY 9 3.082 -2.812 -1.714 85 H ILE 10 HN ILE 10 4.185 -2.513 1.230 86 HA ILE 10 HA ILE 10 4.770 0.347 1.205 87 HB ILE 10 HB ILE 10 6.351 -0.903 3.182 88 1HG1 ILE 10 2HG1 ILE 10 3.518 -1.968 3.192 89 2HG1 ILE 10 1HG1 ILE 10 4.982 -2.923 2.982 90 1HG2 ILE 10 1HG2 ILE 10 3.708 0.398 3.720 91 2HG2 ILE 10 2HG2 ILE 10 5.078 1.320 3.104 92 3HG2 ILE 10 3HG2 ILE 10 5.200 0.487 4.654 93 1HD1 ILE 10 1HD1 ILE 10 5.310 -1.493 5.373 94 2HD1 ILE 10 2HD1 ILE 10 5.040 -3.223 5.167 95 3HD1 ILE 10 3HD1 ILE 10 3.668 -2.137 5.387 96 H ILE 11 HN ILE 11 6.280 0.952 -0.223 97 HA ILE 11 HA ILE 11 8.286 -0.813 -1.184 98 HB ILE 11 HB ILE 11 8.610 2.128 -1.510 99 1HG1 ILE 11 2HG1 ILE 11 6.395 0.449 -2.684 100 2HG1 ILE 11 1HG1 ILE 11 6.274 2.016 -1.889 101 1HG2 ILE 11 1HG2 ILE 11 8.732 0.207 -3.754 102 2HG2 ILE 11 2HG2 ILE 11 9.957 0.029 -2.498 103 3HG2 ILE 11 3HG2 ILE 11 9.790 1.560 -3.356 104 1HD1 ILE 11 1HD1 ILE 11 5.935 2.167 -4.305 105 2HD1 ILE 11 2HD1 ILE 11 7.554 1.516 -4.563 106 3HD1 ILE 11 3HD1 ILE 11 7.348 3.081 -3.778 107 H ARG 12 HN ARG 12 10.180 -1.294 -0.390 108 HA ARG 12 HA ARG 12 11.160 0.087 1.962 109 1HB ARG 12 HB2 ARG 12 11.516 -2.538 0.754 110 2HB ARG 12 HB1 ARG 12 13.035 -1.843 1.296 111 1HG ARG 12 HG2 ARG 12 11.019 -1.469 3.298 112 2HG ARG 12 HG1 ARG 12 11.111 -3.165 2.830 113 1HD ARG 12 HD2 ARG 12 13.494 -1.493 3.601 114 2HD ARG 12 HD1 ARG 12 12.613 -2.527 4.720 115 HE ARG 12 HE ARG 12 13.416 -4.422 3.572 116 1HH1 ARG 12 1HH1 ARG 12 14.709 -1.439 2.278 117 2HH1 ARG 12 2HH1 ARG 12 16.017 -2.223 1.461 118 1HH2 ARG 12 1HH2 ARG 12 15.136 -5.441 2.493 119 2HH2 ARG 12 2HH2 ARG 12 16.259 -4.490 1.580 120 H ASN 13 HN ASN 13 12.677 1.553 1.985 121 HA ASN 13 HA ASN 13 13.955 2.381 -0.460 122 1HB ASN 13 HB2 ASN 13 13.098 3.839 1.549 123 2HB ASN 13 HB1 ASN 13 14.718 3.569 2.131 124 1HD2 ASN 13 1HD2 ASN 13 14.718 5.957 1.906 125 2HD2 ASN 13 2HD2 ASN 13 15.190 6.614 0.379 126 H GLU 14 HN GLU 14 16.287 3.332 0.191 127 HA GLU 14 HA GLU 14 17.972 0.999 0.258 128 1HB GLU 14 HB2 GLU 14 18.439 2.717 -1.354 129 2HB GLU 14 HB1 GLU 14 18.519 3.946 -0.097 130 1HG GLU 14 HG2 GLU 14 20.407 1.702 0.182 131 2HG GLU 14 HG1 GLU 14 20.668 2.759 -1.205 132 H ASN 15 HN ASN 15 16.629 2.652 2.740 133 HA ASN 15 HA ASN 15 18.899 2.034 4.487 134 1HB ASN 15 HB2 ASN 15 18.989 4.453 4.020 135 2HB ASN 15 HB1 ASN 15 17.338 4.622 4.608 136 1HD2 ASN 15 1HD2 ASN 15 18.391 6.190 6.040 137 2HD2 ASN 15 2HD2 ASN 15 19.077 5.621 7.520 138 H ASN 16 HN ASN 16 16.893 0.312 4.291 139 HA ASN 16 HA ASN 16 15.144 -0.733 5.332 140 1HB ASN 16 HB2 ASN 16 15.425 -0.992 7.726 141 2HB ASN 16 HB1 ASN 16 17.005 -1.009 6.950 142 1HD2 ASN 16 1HD2 ASN 16 18.446 -0.022 8.146 143 2HD2 ASN 16 2HD2 ASN 16 18.202 1.423 9.062 144 H GLU 17 HN GLU 17 14.682 2.074 4.533 145 HA GLU 17 HA GLU 17 12.483 2.699 6.390 146 1HB GLU 17 HB2 GLU 17 12.711 5.064 5.517 147 2HB GLU 17 HB1 GLU 17 14.035 4.505 6.529 148 1HG GLU 17 HG2 GLU 17 15.285 3.963 4.423 149 2HG GLU 17 HG1 GLU 17 14.003 4.789 3.537 150 H ILE 18 HN ILE 18 10.470 3.159 5.454 151 HA ILE 18 HA ILE 18 10.319 2.525 2.580 152 HB ILE 18 HB ILE 18 8.480 1.863 4.846 153 1HG1 ILE 18 2HG1 ILE 18 9.170 0.010 2.626 154 2HG1 ILE 18 1HG1 ILE 18 10.437 0.418 3.777 155 1HG2 ILE 18 1HG2 ILE 18 6.766 2.473 3.500 156 2HG2 ILE 18 2HG2 ILE 18 7.088 0.905 2.762 157 3HG2 ILE 18 3HG2 ILE 18 7.740 2.371 2.036 158 1HD1 ILE 18 1HD1 ILE 18 9.186 -1.660 4.302 159 2HD1 ILE 18 2HD1 ILE 18 7.748 -0.672 4.557 160 3HD1 ILE 18 3HD1 ILE 18 9.160 -0.456 5.590 161 H PHE 19 HN PHE 19 9.072 3.740 1.237 162 HA PHE 19 HA PHE 19 8.313 6.370 2.250 163 1HB PHE 19 HB2 PHE 19 9.428 6.954 0.383 164 2HB PHE 19 HB1 PHE 19 9.370 5.320 -0.257 165 HD1 PHE 19 HD1 PHE 19 8.184 8.648 -0.591 166 HD2 PHE 19 HD2 PHE 19 7.194 4.589 -1.406 167 HE1 PHE 19 HE1 PHE 19 6.593 9.384 -2.317 168 HE2 PHE 19 HE2 PHE 19 5.598 5.321 -3.129 169 HZ PHE 19 HZ PHE 19 5.297 7.721 -3.587 170 H ILE 20 HN ILE 20 6.262 6.984 2.486 171 HA ILE 20 HA ILE 20 4.157 5.352 1.223 172 HB ILE 20 HB ILE 20 3.141 6.661 3.565 173 1HG1 ILE 20 2HG1 ILE 20 5.444 4.778 4.128 174 2HG1 ILE 20 1HG1 ILE 20 5.518 6.524 4.339 175 1HG2 ILE 20 1HG2 ILE 20 2.034 4.803 2.615 176 2HG2 ILE 20 2HG2 ILE 20 2.629 4.280 4.191 177 3HG2 ILE 20 3HG2 ILE 20 3.478 3.796 2.722 178 1HD1 ILE 20 1HD1 ILE 20 3.839 6.436 6.053 179 2HD1 ILE 20 2HD1 ILE 20 5.125 5.290 6.435 180 3HD1 ILE 20 3HD1 ILE 20 3.595 4.711 5.775 181 H THR 21 HN THR 21 2.083 6.529 0.951 182 HA THR 21 HA THR 21 2.618 9.243 0.029 183 HB THR 21 HB THR 21 0.529 9.071 -1.173 184 HG1 THR 21 HG1 THR 21 0.163 6.535 0.029 185 1HG2 THR 21 1HG2 THR 21 1.507 7.896 -2.760 186 2HG2 THR 21 2HG2 THR 21 1.140 6.403 -1.897 187 3HG2 THR 21 3HG2 THR 21 2.652 7.255 -1.582 188 H ARG 22 HN ARG 22 2.318 10.846 1.447 189 HA ARG 22 HA ARG 22 0.233 10.548 3.489 190 1HB ARG 22 HB2 ARG 22 2.546 11.082 4.233 191 2HB ARG 22 HB1 ARG 22 2.468 12.578 3.313 192 1HG ARG 22 HG2 ARG 22 0.953 13.547 4.767 193 2HG ARG 22 HG1 ARG 22 0.418 11.991 5.405 194 1HD ARG 22 HD2 ARG 22 2.122 11.861 6.888 195 2HD ARG 22 HD1 ARG 22 3.266 12.651 5.803 196 HE ARG 22 HE ARG 22 1.287 14.461 6.768 197 1HH1 ARG 22 1HH1 ARG 22 4.267 12.859 7.622 198 2HH1 ARG 22 2HH1 ARG 22 4.745 14.080 8.753 199 1HH2 ARG 22 1HH2 ARG 22 1.914 16.068 8.256 200 2HH2 ARG 22 2HH2 ARG 22 3.409 15.902 9.115 201 H ARG 23 HN ARG 23 -0.960 12.603 4.045 202 HA ARG 23 HA ARG 23 -2.209 13.611 1.685 203 1HB ARG 23 HB2 ARG 23 -2.477 14.571 4.540 204 2HB ARG 23 HB1 ARG 23 -3.574 14.941 3.217 205 1HG ARG 23 HG2 ARG 23 -3.103 12.082 3.801 206 2HG ARG 23 HG1 ARG 23 -4.033 13.003 4.983 207 1HD ARG 23 HD2 ARG 23 -5.779 12.496 3.663 208 2HD ARG 23 HD1 ARG 23 -5.181 13.824 2.668 209 HE ARG 23 HE ARG 23 -3.900 11.425 1.927 210 1HH1 ARG 23 1HH1 ARG 23 -7.001 13.014 1.721 211 2HH1 ARG 23 2HH1 ARG 23 -7.458 12.207 0.260 212 1HH2 ARG 23 1HH2 ARG 23 -4.500 10.361 0.005 213 2HH2 ARG 23 2HH2 ARG 23 -6.038 10.700 -0.715 214 H ALA 24 HN ALA 24 0.248 14.248 1.147 215 HA ALA 24 HA ALA 24 1.823 15.851 0.804 216 1HB ALA 24 HB1 ALA 24 -0.536 17.712 0.629 217 2HB ALA 24 HB2 ALA 24 -0.180 16.501 -0.603 218 3HB ALA 24 HB3 ALA 24 0.983 17.784 -0.267 219 H ALA 25 HN ALA 25 1.877 18.593 1.334 220 HA ALA 25 HA ALA 25 2.233 18.551 4.244 221 1HB ALA 25 HB1 ALA 25 4.106 19.151 2.581 222 2HB ALA 25 HB2 ALA 25 3.885 20.173 4.001 223 3HB ALA 25 HB3 ALA 25 3.275 20.699 2.432 224 H ASP 26 HN ASP 26 -0.380 18.771 3.567 225 HA ASP 26 HA ASP 26 -0.968 21.575 4.234 226 1HB ASP 26 HB2 ASP 26 -2.975 21.489 2.822 227 2HB ASP 26 HB1 ASP 26 -1.519 21.213 1.870 228 H ALA 27 HN ALA 27 -3.582 21.529 4.711 229 HA ALA 27 HA ALA 27 -3.821 19.627 6.935 230 1HB ALA 27 HB1 ALA 27 -5.556 22.044 6.575 231 2HB ALA 27 HB2 ALA 27 -3.932 22.181 7.251 232 3HB ALA 27 HB3 ALA 27 -5.142 21.182 8.057 233 H HIS 28 HN HIS 28 -6.585 19.861 7.345 234 HA HIS 28 HA HIS 28 -8.571 18.932 6.748 235 1HB HIS 28 HB2 HIS 28 -7.607 19.503 3.937 236 2HB HIS 28 HB1 HIS 28 -9.246 19.029 4.368 237 HD1 HIS 28 HD1 HIS 28 -6.804 21.862 5.009 238 HD2 HIS 28 HD2 HIS 28 -10.890 21.106 4.991 239 HE1 HIS 28 HE1 HIS 28 -7.902 24.097 5.356 240 HE2 HIS 28 HE2 HIS 28 -10.373 23.603 5.423 241 H MET 29 HN MET 29 -8.382 16.869 7.443 242 HA MET 29 HA MET 29 -8.123 14.610 7.393 243 1HB MET 29 HB2 MET 29 -8.358 15.070 4.413 244 2HB MET 29 HB1 MET 29 -8.464 13.500 5.199 245 1HG MET 29 HG2 MET 29 -10.349 15.820 5.536 246 2HG MET 29 HG1 MET 29 -10.669 14.302 4.698 247 1HE MET 29 HE1 MET 29 -13.072 13.587 7.005 248 2HE MET 29 HE2 MET 29 -12.119 12.134 6.704 249 3HE MET 29 HE3 MET 29 -12.319 13.337 5.430 250 H ALA 30 HN ALA 30 -5.794 15.780 7.858 251 HA ALA 30 HA ALA 30 -3.787 14.883 5.967 252 1HB ALA 30 HB1 ALA 30 -3.876 17.007 7.642 253 2HB ALA 30 HB2 ALA 30 -2.395 16.345 6.950 254 3HB ALA 30 HB3 ALA 30 -2.892 15.881 8.578 255 H ASN 31 HN ASN 31 -5.466 13.492 8.516 256 HA ASN 31 HA ASN 31 -3.268 11.810 9.410 257 1HB ASN 31 HB2 ASN 31 -5.846 12.634 10.460 258 2HB ASN 31 HB1 ASN 31 -5.625 10.895 10.590 259 1HD2 ASN 31 1HD2 ASN 31 -3.117 13.357 10.711 260 2HD2 ASN 31 2HD2 ASN 31 -2.647 13.058 12.347 261 H LYS 32 HN LYS 32 -4.221 11.576 6.646 262 HA LYS 32 HA LYS 32 -5.243 8.826 6.728 263 1HB LYS 32 HB2 LYS 32 -5.980 11.113 5.082 264 2HB LYS 32 HB1 LYS 32 -5.612 9.683 4.127 265 1HG LYS 32 HG2 LYS 32 -7.203 8.709 6.158 266 2HG LYS 32 HG1 LYS 32 -7.920 10.275 5.780 267 1HD LYS 32 HD2 LYS 32 -8.876 9.394 3.975 268 2HD LYS 32 HD1 LYS 32 -7.283 9.006 3.323 269 1HE LYS 32 HE2 LYS 32 -7.334 6.904 4.678 270 2HE LYS 32 HE1 LYS 32 -9.003 7.283 5.101 271 1HZ LYS 32 HZ1 LYS 32 -8.721 5.726 3.191 272 2HZ LYS 32 HZ2 LYS 32 -8.057 7.004 2.304 273 3HZ LYS 32 HZ3 LYS 32 -9.657 7.093 2.846 274 H LEU 33 HN LEU 33 -2.475 9.747 6.917 275 HA LEU 33 HA LEU 33 -0.954 9.487 4.646 276 1HB LEU 33 HB2 LEU 33 -0.313 9.877 7.144 277 2HB LEU 33 HB1 LEU 33 -0.131 8.139 7.188 278 HG LEU 33 HG LEU 33 1.476 10.150 5.647 279 1HD1 LEU 33 1HD1 LEU 33 3.307 8.669 6.694 280 2HD1 LEU 33 2HD1 LEU 33 2.014 8.085 7.742 281 3HD1 LEU 33 3HD1 LEU 33 2.432 9.799 7.728 282 1HD2 LEU 33 1HD2 LEU 33 2.564 8.358 4.445 283 2HD2 LEU 33 2HD2 LEU 33 0.836 8.339 4.093 284 3HD2 LEU 33 3HD2 LEU 33 1.518 7.165 5.217 285 H GLU 34 HN GLU 34 -1.676 7.992 3.153 286 HA GLU 34 HA GLU 34 -1.637 5.175 4.001 287 1HB GLU 34 HB2 GLU 34 -3.667 6.565 2.752 288 2HB GLU 34 HB1 GLU 34 -2.893 5.719 1.419 289 1HG GLU 34 HG2 GLU 34 -3.245 3.602 2.469 290 2HG GLU 34 HG1 GLU 34 -3.818 4.377 3.947 291 H PHE 35 HN PHE 35 -1.355 3.758 1.860 292 HA PHE 35 HA PHE 35 1.101 4.721 0.556 293 1HB PHE 35 HB2 PHE 35 1.175 1.925 0.445 294 2HB PHE 35 HB1 PHE 35 2.158 2.969 1.461 295 HD1 PHE 35 HD1 PHE 35 -1.354 1.683 1.519 296 HD2 PHE 35 HD2 PHE 35 2.286 2.292 3.639 297 HE1 PHE 35 HE1 PHE 35 -2.357 0.673 3.526 298 HE2 PHE 35 HE2 PHE 35 1.290 1.285 5.647 299 HZ PHE 35 HZ PHE 35 -1.035 0.474 5.594 300 HA PRO 36 HA PRO 36 -0.369 4.006 -3.538 301 1HB PRO 36 HB2 PRO 36 1.468 2.099 -4.438 302 2HB PRO 36 HB1 PRO 36 1.669 3.848 -4.526 303 1HG PRO 36 HG2 PRO 36 2.736 1.917 -2.519 304 2HG PRO 36 HG1 PRO 36 3.497 3.366 -3.202 305 1HD PRO 36 HD2 PRO 36 2.483 3.385 -0.735 306 2HD PRO 36 HD1 PRO 36 2.314 4.797 -1.798 307 H GLY 37 HN GLY 37 -1.189 2.240 -5.027 308 1HA GLY 37 HA2 GLY 37 -1.887 -0.054 -5.276 309 2HA GLY 37 HA1 GLY 37 -1.819 -0.205 -3.547 310 H GLY 38 HN GLY 38 -3.423 1.841 -5.859 311 1HA GLY 38 HA2 GLY 38 -6.026 1.168 -4.686 312 2HA GLY 38 HA1 GLY 38 -5.580 2.860 -4.872 313 H LYS 39 HN LYS 39 -7.270 0.389 -6.267 314 HA LYS 39 HA LYS 39 -8.608 0.870 -8.200 315 1HB LYS 39 HB2 LYS 39 -7.278 2.893 -8.804 316 2HB LYS 39 HB1 LYS 39 -6.051 1.834 -9.487 317 1HG LYS 39 HG2 LYS 39 -7.142 1.768 -11.405 318 2HG LYS 39 HG1 LYS 39 -8.566 1.114 -10.595 319 1HD LYS 39 HD2 LYS 39 -8.001 4.045 -10.453 320 2HD LYS 39 HD1 LYS 39 -8.720 3.365 -11.915 321 1HE LYS 39 HE2 LYS 39 -10.637 3.805 -10.790 322 2HE LYS 39 HE1 LYS 39 -10.304 2.218 -10.100 323 1HZ LYS 39 HZ1 LYS 39 -9.128 4.533 -8.766 324 2HZ LYS 39 HZ2 LYS 39 -9.738 3.100 -8.106 325 3HZ LYS 39 HZ3 LYS 39 -10.798 4.319 -8.606 326 H ILE 40 HN ILE 40 -5.946 -0.951 -7.432 327 HA ILE 40 HA ILE 40 -5.234 -2.472 -9.559 328 HB ILE 40 HB ILE 40 -4.136 -3.193 -7.707 329 1HG1 ILE 40 2HG1 ILE 40 -6.403 -5.195 -7.685 330 2HG1 ILE 40 1HG1 ILE 40 -5.137 -5.165 -8.907 331 1HG2 ILE 40 1HG2 ILE 40 -4.970 -2.355 -5.823 332 2HG2 ILE 40 2HG2 ILE 40 -5.784 -3.911 -5.657 333 3HG2 ILE 40 3HG2 ILE 40 -6.639 -2.537 -6.356 334 1HD1 ILE 40 1HD1 ILE 40 -3.545 -5.323 -6.875 335 2HD1 ILE 40 2HD1 ILE 40 -4.379 -6.763 -7.447 336 3HD1 ILE 40 3HD1 ILE 40 -4.978 -5.905 -6.031 337 H GLU 41 HN GLU 41 -7.848 -3.350 -7.425 338 HA GLU 41 HA GLU 41 -9.083 -5.439 -8.198 339 1HB GLU 41 HB2 GLU 41 -11.332 -4.101 -8.307 340 2HB GLU 41 HB1 GLU 41 -10.412 -4.182 -6.814 341 1HG GLU 41 HG2 GLU 41 -10.215 -1.982 -6.752 342 2HG GLU 41 HG1 GLU 41 -9.528 -1.935 -8.367 343 H MET 42 HN MET 42 -10.349 -2.706 -10.060 344 HA MET 42 HA MET 42 -11.239 -2.663 -12.171 345 1HB MET 42 HB2 MET 42 -8.427 -3.648 -12.489 346 2HB MET 42 HB1 MET 42 -9.453 -3.448 -13.901 347 1HG MET 42 HG2 MET 42 -8.803 -1.290 -11.910 348 2HG MET 42 HG1 MET 42 -8.023 -1.503 -13.476 349 1HE MET 42 HE1 MET 42 -9.257 1.184 -12.537 350 2HE MET 42 HE2 MET 42 -10.260 1.725 -13.883 351 3HE MET 42 HE3 MET 42 -8.654 1.063 -14.190 352 H GLY 43 HN GLY 43 -9.362 -5.462 -13.136 353 1HA GLY 43 HA2 GLY 43 -11.498 -7.348 -12.769 354 2HA GLY 43 HA1 GLY 43 -11.370 -6.784 -14.421 355 H GLU 44 HN GLU 44 -8.430 -6.936 -12.703 356 HA GLU 44 HA GLU 44 -7.432 -8.972 -14.463 357 1HB GLU 44 HB2 GLU 44 -6.330 -6.920 -12.817 358 2HB GLU 44 HB1 GLU 44 -5.585 -8.444 -12.359 359 1HG GLU 44 HG2 GLU 44 -4.204 -8.171 -14.064 360 2HG GLU 44 HG1 GLU 44 -5.573 -8.483 -15.130 361 H THR 45 HN THR 45 -5.610 -10.316 -12.731 362 HA THR 45 HA THR 45 -7.502 -12.061 -11.309 363 HB THR 45 HB THR 45 -4.838 -13.160 -11.634 364 HG1 THR 45 HG1 THR 45 -4.483 -12.832 -13.670 365 1HG2 THR 45 1HG2 THR 45 -7.613 -13.966 -12.163 366 2HG2 THR 45 2HG2 THR 45 -6.281 -14.863 -11.436 367 3HG2 THR 45 3HG2 THR 45 -6.384 -14.703 -13.190 368 HA PRO 46 HA PRO 46 -6.049 -11.193 -7.245 369 1HB PRO 46 HB2 PRO 46 -5.084 -13.787 -6.596 370 2HB PRO 46 HB1 PRO 46 -6.657 -13.098 -6.196 371 1HG PRO 46 HG2 PRO 46 -5.897 -14.900 -8.429 372 2HG PRO 46 HG1 PRO 46 -7.435 -14.772 -7.553 373 1HD PRO 46 HD2 PRO 46 -7.184 -13.818 -10.031 374 2HD PRO 46 HD1 PRO 46 -8.140 -12.947 -8.816 375 H GLU 47 HN GLU 47 -3.970 -12.853 -9.517 376 HA GLU 47 HA GLU 47 -1.592 -12.089 -8.000 377 1HB GLU 47 HB2 GLU 47 -2.176 -14.074 -10.133 378 2HB GLU 47 HB1 GLU 47 -0.554 -13.396 -10.082 379 1HG GLU 47 HG2 GLU 47 -0.354 -15.292 -8.790 380 2HG GLU 47 HG1 GLU 47 -0.612 -14.033 -7.584 381 H GLN 48 HN GLN 48 -2.880 -11.765 -11.334 382 HA GLN 48 HA GLN 48 -0.814 -9.875 -12.024 383 1HB GLN 48 HB2 GLN 48 -3.176 -11.048 -13.449 384 2HB GLN 48 HB1 GLN 48 -2.356 -9.644 -14.118 385 1HG GLN 48 HG2 GLN 48 -0.860 -12.129 -13.369 386 2HG GLN 48 HG1 GLN 48 -1.645 -11.950 -14.939 387 1HE2 GLN 48 1HE2 GLN 48 0.762 -12.318 -15.415 388 2HE2 GLN 48 2HE2 GLN 48 1.707 -10.889 -15.636 389 H ALA 49 HN ALA 49 -3.606 -9.581 -10.257 390 HA ALA 49 HA ALA 49 -4.694 -7.182 -11.261 391 1HB ALA 49 HB1 ALA 49 -5.962 -8.614 -9.784 392 2HB ALA 49 HB2 ALA 49 -5.795 -7.016 -9.062 393 3HB ALA 49 HB3 ALA 49 -4.800 -8.351 -8.484 394 H VAL 50 HN VAL 50 -2.570 -7.708 -8.427 395 HA VAL 50 HA VAL 50 -2.038 -4.881 -8.250 396 HB VAL 50 HB VAL 50 -1.941 -5.789 -6.128 397 1HG1 VAL 50 1HG1 VAL 50 -0.919 -8.174 -7.486 398 2HG1 VAL 50 2HG1 VAL 50 -1.970 -8.023 -6.076 399 3HG1 VAL 50 3HG1 VAL 50 -0.221 -7.871 -5.894 400 1HG2 VAL 50 1HG2 VAL 50 0.063 -4.428 -6.660 401 2HG2 VAL 50 2HG2 VAL 50 0.948 -5.920 -6.972 402 3HG2 VAL 50 3HG2 VAL 50 0.323 -5.587 -5.355 403 H VAL 51 HN VAL 51 -0.225 -7.754 -9.282 404 HA VAL 51 HA VAL 51 2.258 -6.636 -9.681 405 HB VAL 51 HB VAL 51 0.932 -8.659 -11.497 406 1HG1 VAL 51 1HG1 VAL 51 3.614 -7.500 -11.405 407 2HG1 VAL 51 2HG1 VAL 51 2.804 -8.382 -12.697 408 3HG1 VAL 51 3HG1 VAL 51 3.600 -9.264 -11.394 409 1HG2 VAL 51 1HG2 VAL 51 2.834 -9.463 -9.370 410 2HG2 VAL 51 2HG2 VAL 51 1.434 -10.314 -10.020 411 3HG2 VAL 51 3HG2 VAL 51 1.209 -8.999 -8.867 412 H ARG 52 HN ARG 52 -0.602 -6.399 -11.705 413 HA ARG 52 HA ARG 52 0.786 -5.028 -13.808 414 1HB ARG 52 HB2 ARG 52 -1.370 -6.463 -13.982 415 2HB ARG 52 HB1 ARG 52 -2.196 -5.002 -13.456 416 1HG ARG 52 HG2 ARG 52 -0.545 -4.142 -15.507 417 2HG ARG 52 HG1 ARG 52 -1.147 -5.707 -16.058 418 1HD ARG 52 HD2 ARG 52 -3.356 -5.015 -16.023 419 2HD ARG 52 HD1 ARG 52 -3.035 -3.706 -14.887 420 HE ARG 52 HE ARG 52 -1.666 -3.245 -17.315 421 1HH1 ARG 52 1HH1 ARG 52 -4.876 -3.196 -15.945 422 2HH1 ARG 52 2HH1 ARG 52 -5.463 -1.994 -17.045 423 1HH2 ARG 52 1HH2 ARG 52 -2.436 -1.662 -18.762 424 2HH2 ARG 52 2HH2 ARG 52 -4.078 -1.123 -18.644 425 H GLU 53 HN GLU 53 -1.530 -4.107 -11.290 426 HA GLU 53 HA GLU 53 -1.537 -1.349 -11.915 427 1HB GLU 53 HB2 GLU 53 -3.198 -2.743 -10.487 428 2HB GLU 53 HB1 GLU 53 -2.086 -2.419 -9.164 429 1HG GLU 53 HG2 GLU 53 -3.654 -0.738 -8.962 430 2HG GLU 53 HG1 GLU 53 -2.340 0.048 -9.835 431 H LEU 54 HN LEU 54 0.713 -3.346 -10.257 432 HA LEU 54 HA LEU 54 1.862 -1.561 -8.452 433 1HB LEU 54 HB2 LEU 54 2.373 -4.138 -9.308 434 2HB LEU 54 HB1 LEU 54 3.804 -3.260 -9.817 435 HG LEU 54 HG LEU 54 4.221 -2.532 -7.546 436 1HD1 LEU 54 1HD1 LEU 54 2.368 -4.158 -6.106 437 2HD1 LEU 54 2HD1 LEU 54 1.482 -3.079 -7.184 438 3HD1 LEU 54 3HD1 LEU 54 2.624 -2.416 -6.016 439 1HD2 LEU 54 1HD2 LEU 54 3.987 -5.365 -8.270 440 2HD2 LEU 54 2HD2 LEU 54 4.136 -5.044 -6.543 441 3HD2 LEU 54 3HD2 LEU 54 5.368 -4.457 -7.659 442 H GLN 55 HN GLN 55 2.560 -2.117 -11.878 443 HA GLN 55 HA GLN 55 4.679 -0.254 -12.073 444 1HB GLN 55 HB2 GLN 55 3.166 -1.939 -13.853 445 2HB GLN 55 HB1 GLN 55 3.307 -0.332 -14.554 446 1HG GLN 55 HG2 GLN 55 5.107 -1.813 -15.277 447 2HG GLN 55 HG1 GLN 55 5.715 -0.424 -14.375 448 1HE2 GLN 55 1HE2 GLN 55 4.307 -3.502 -13.326 449 2HE2 GLN 55 2HE2 GLN 55 5.654 -3.989 -12.360 450 H GLU 56 HN GLU 56 1.211 -0.009 -12.176 451 HA GLU 56 HA GLU 56 1.124 2.705 -13.102 452 1HB GLU 56 HB2 GLU 56 -0.698 0.829 -13.204 453 2HB GLU 56 HB1 GLU 56 -1.108 1.398 -11.599 454 1HG GLU 56 HG2 GLU 56 -0.838 3.503 -13.620 455 2HG GLU 56 HG1 GLU 56 -2.159 2.368 -13.893 456 H GLU 57 HN GLU 57 1.418 1.098 -10.030 457 HA GLU 57 HA GLU 57 0.940 3.652 -8.672 458 1HB GLU 57 HB2 GLU 57 0.735 0.806 -7.753 459 2HB GLU 57 HB1 GLU 57 0.883 2.119 -6.592 460 1HG GLU 57 HG2 GLU 57 -1.230 2.777 -6.881 461 2HG GLU 57 HG1 GLU 57 -1.156 2.576 -8.628 462 H VAL 58 HN VAL 58 3.476 2.147 -9.931 463 HA VAL 58 HA VAL 58 5.283 3.148 -7.847 464 HB VAL 58 HB VAL 58 5.789 0.581 -9.362 465 1HG1 VAL 58 1HG1 VAL 58 7.898 1.044 -8.789 466 2HG1 VAL 58 2HG1 VAL 58 7.409 0.633 -7.145 467 3HG1 VAL 58 3HG1 VAL 58 7.407 2.316 -7.670 468 1HG2 VAL 58 1HG2 VAL 58 4.200 1.033 -7.023 469 2HG2 VAL 58 2HG2 VAL 58 5.622 0.078 -6.606 470 3HG2 VAL 58 3HG2 VAL 58 4.530 -0.476 -7.873 471 H GLY 59 HN GLY 59 4.888 2.043 -11.174 472 1HA GLY 59 HA2 GLY 59 5.654 2.898 -13.140 473 2HA GLY 59 HA1 GLY 59 6.082 4.349 -12.275 474 H ILE 60 HN ILE 60 7.931 3.243 -10.528 475 HA ILE 60 HA ILE 60 10.219 3.109 -12.227 476 HB ILE 60 HB ILE 60 11.227 2.525 -9.789 477 1HG1 ILE 60 2HG1 ILE 60 9.166 4.523 -9.020 478 2HG1 ILE 60 1HG1 ILE 60 8.751 2.814 -8.973 479 1HG2 ILE 60 1HG2 ILE 60 12.087 4.665 -9.791 480 2HG2 ILE 60 2HG2 ILE 60 10.596 5.368 -10.420 481 3HG2 ILE 60 3HG2 ILE 60 11.647 4.432 -11.483 482 1HD1 ILE 60 1HD1 ILE 60 10.856 4.253 -7.410 483 2HD1 ILE 60 2HD1 ILE 60 10.839 2.497 -7.574 484 3HD1 ILE 60 3HD1 ILE 60 9.479 3.324 -6.816 485 H THR 61 HN THR 61 11.987 1.459 -11.267 486 HA THR 61 HA THR 61 10.782 -1.206 -11.494 487 HB THR 61 HB THR 61 13.330 -1.595 -12.174 488 HG1 THR 61 HG1 THR 61 14.027 0.210 -13.403 489 1HG2 THR 61 1HG2 THR 61 11.401 -0.369 -14.121 490 2HG2 THR 61 2HG2 THR 61 11.359 -2.059 -13.610 491 3HG2 THR 61 3HG2 THR 61 12.755 -1.439 -14.493 492 HA PRO 62 HA PRO 62 12.945 -1.343 -7.474 493 1HB PRO 62 HB2 PRO 62 10.882 -1.434 -5.867 494 2HB PRO 62 HB1 PRO 62 11.135 0.028 -6.826 495 1HG PRO 62 HG2 PRO 62 9.153 -2.159 -7.211 496 2HG PRO 62 HG1 PRO 62 8.990 -0.425 -7.536 497 1HD PRO 62 HD2 PRO 62 9.730 -2.502 -9.379 498 2HD PRO 62 HD1 PRO 62 9.599 -0.762 -9.683 499 H GLN 63 HN GLN 63 13.472 -3.104 -6.147 500 HA GLN 63 HA GLN 63 12.490 -5.673 -6.992 501 1HB GLN 63 HB2 GLN 63 14.417 -6.437 -6.097 502 2HB GLN 63 HB1 GLN 63 14.863 -4.759 -5.860 503 1HG GLN 63 HG2 GLN 63 14.279 -4.805 -3.602 504 2HG GLN 63 HG1 GLN 63 13.337 -6.272 -3.796 505 1HE2 GLN 63 1HE2 GLN 63 16.220 -5.033 -2.754 506 2HE2 GLN 63 2HE2 GLN 63 17.152 -6.487 -2.721 507 H HIS 64 HN HIS 64 10.341 -5.212 -6.600 508 HA HIS 64 HA HIS 64 9.517 -5.181 -3.775 509 1HB HIS 64 HB2 HIS 64 8.875 -3.094 -4.629 510 2HB HIS 64 HB1 HIS 64 8.569 -3.746 -6.205 511 HD1 HIS 64 HD1 HIS 64 6.931 -5.427 -3.329 512 HD2 HIS 64 HD2 HIS 64 6.009 -2.534 -6.159 513 HE1 HIS 64 HE1 HIS 64 4.441 -5.138 -3.202 514 HE2 HIS 64 HE2 HIS 64 3.941 -3.244 -4.779 515 H PHE 65 HN PHE 65 8.304 -6.865 -3.128 516 HA PHE 65 HA PHE 65 6.347 -8.136 -4.703 517 1HB PHE 65 HB2 PHE 65 8.708 -8.782 -5.691 518 2HB PHE 65 HB1 PHE 65 8.694 -9.915 -4.354 519 HD1 PHE 65 HD1 PHE 65 8.222 -12.045 -5.113 520 HD2 PHE 65 HD2 PHE 65 6.083 -8.746 -6.742 521 HE1 PHE 65 HE1 PHE 65 6.865 -13.594 -6.458 522 HE2 PHE 65 HE2 PHE 65 4.721 -10.289 -8.089 523 HZ PHE 65 HZ PHE 65 5.110 -12.715 -7.950 524 H SER 66 HN SER 66 5.643 -10.253 -3.740 525 HA SER 66 HA SER 66 5.137 -11.645 -2.003 526 1HB SER 66 HB2 SER 66 7.742 -11.115 -1.480 527 2HB SER 66 HB1 SER 66 6.988 -10.428 -0.041 528 HG SER 66 HG SER 66 7.588 -12.800 -0.119 529 H LEU 67 HN LEU 67 4.912 -11.203 0.700 530 HA LEU 67 HA LEU 67 3.586 -8.662 1.131 531 1HB LEU 67 HB2 LEU 67 1.512 -9.882 1.954 532 2HB LEU 67 HB1 LEU 67 1.724 -9.738 0.219 533 HG LEU 67 HG LEU 67 2.720 -12.208 1.556 534 1HD1 LEU 67 1HD1 LEU 67 0.223 -11.443 2.187 535 2HD1 LEU 67 2HD1 LEU 67 0.704 -13.127 1.978 536 3HD1 LEU 67 3HD1 LEU 67 -0.087 -12.264 0.659 537 1HD2 LEU 67 1HD2 LEU 67 1.480 -11.553 -1.112 538 2HD2 LEU 67 2HD2 LEU 67 1.910 -13.183 -0.591 539 3HD2 LEU 67 3HD2 LEU 67 3.165 -11.958 -0.782 540 H PHE 68 HN PHE 68 3.747 -8.004 3.202 541 HA PHE 68 HA PHE 68 5.186 -9.683 5.024 542 1HB PHE 68 HB2 PHE 68 5.280 -7.807 6.490 543 2HB PHE 68 HB1 PHE 68 5.493 -7.187 4.860 544 HD1 PHE 68 HD1 PHE 68 4.071 -5.536 4.007 545 HD2 PHE 68 HD2 PHE 68 3.027 -7.571 7.593 546 HE1 PHE 68 HE1 PHE 68 2.272 -3.907 4.402 547 HE2 PHE 68 HE2 PHE 68 1.222 -5.951 7.993 548 HZ PHE 68 HZ PHE 68 0.845 -4.110 6.402 549 H GLU 69 HN GLU 69 1.929 -8.420 4.727 550 HA GLU 69 HA GLU 69 0.711 -10.639 5.957 551 1HB GLU 69 HB2 GLU 69 1.166 -8.228 7.669 552 2HB GLU 69 HB1 GLU 69 -0.349 -9.100 7.827 553 1HG GLU 69 HG2 GLU 69 1.474 -11.124 7.911 554 2HG GLU 69 HG1 GLU 69 2.335 -9.817 8.720 555 H LYS 70 HN LYS 70 -1.344 -10.744 5.171 556 HA LYS 70 HA LYS 70 -2.580 -8.229 4.265 557 1HB LYS 70 HB2 LYS 70 -3.316 -9.292 2.207 558 2HB LYS 70 HB1 LYS 70 -1.565 -9.370 2.337 559 1HG LYS 70 HG2 LYS 70 -1.858 -11.513 1.761 560 2HG LYS 70 HG1 LYS 70 -2.256 -11.728 3.466 561 1HD LYS 70 HD2 LYS 70 -4.609 -11.535 2.993 562 2HD LYS 70 HD1 LYS 70 -4.277 -11.132 1.308 563 1HE LYS 70 HE2 LYS 70 -3.108 -13.659 2.265 564 2HE LYS 70 HE1 LYS 70 -4.869 -13.620 2.192 565 1HZ LYS 70 HZ1 LYS 70 -2.923 -13.319 -0.001 566 2HZ LYS 70 HZ2 LYS 70 -4.485 -12.690 -0.155 567 3HZ LYS 70 HZ3 LYS 70 -4.262 -14.348 0.099 568 H LEU 71 HN LEU 71 -4.678 -7.993 4.772 569 HA LEU 71 HA LEU 71 -6.081 -10.334 5.878 570 1HB LEU 71 HB2 LEU 71 -6.974 -9.067 7.538 571 2HB LEU 71 HB1 LEU 71 -5.502 -8.154 7.276 572 HG LEU 71 HG LEU 71 -8.053 -7.384 5.883 573 1HD1 LEU 71 1HD1 LEU 71 -7.927 -5.651 7.951 574 2HD1 LEU 71 2HD1 LEU 71 -7.400 -7.142 8.733 575 3HD1 LEU 71 3HD1 LEU 71 -8.959 -7.081 7.911 576 1HD2 LEU 71 1HD2 LEU 71 -6.232 -5.314 6.797 577 2HD2 LEU 71 2HD2 LEU 71 -6.899 -5.605 5.192 578 3HD2 LEU 71 3HD2 LEU 71 -5.454 -6.468 5.715 579 H GLU 72 HN GLU 72 -8.390 -10.460 5.523 580 HA GLU 72 HA GLU 72 -9.383 -8.927 3.233 581 1HB GLU 72 HB2 GLU 72 -8.760 -10.836 2.075 582 2HB GLU 72 HB1 GLU 72 -9.066 -11.895 3.444 583 1HG GLU 72 HG2 GLU 72 -11.404 -11.826 3.085 584 2HG GLU 72 HG1 GLU 72 -11.254 -10.516 1.915 585 H TYR 73 HN TYR 73 -11.089 -7.887 4.037 586 HA TYR 73 HA TYR 73 -13.045 -9.432 5.603 587 1HB TYR 73 HB2 TYR 73 -13.481 -7.488 7.001 588 2HB TYR 73 HB1 TYR 73 -11.775 -7.913 7.087 589 HD1 TYR 73 HD1 TYR 73 -14.040 -5.268 6.700 590 HD2 TYR 73 HD2 TYR 73 -10.245 -6.628 5.341 591 HE1 TYR 73 HE1 TYR 73 -13.444 -2.965 6.080 592 HE2 TYR 73 HE2 TYR 73 -9.638 -4.328 4.718 593 HH TYR 73 HH TYR 73 -11.694 -1.943 4.259 594 H GLU 74 HN GLU 74 -15.244 -8.758 5.388 595 HA GLU 74 HA GLU 74 -15.741 -7.127 2.985 596 1HB GLU 74 HB2 GLU 74 -17.810 -8.557 2.684 597 2HB GLU 74 HB1 GLU 74 -16.274 -9.345 2.360 598 1HG GLU 74 HG2 GLU 74 -16.459 -10.119 4.835 599 2HG GLU 74 HG1 GLU 74 -18.168 -9.745 4.628 600 H PHE 75 HN PHE 75 -16.790 -5.330 3.391 601 HA PHE 75 HA PHE 75 -18.040 -4.809 5.896 602 1HB PHE 75 HB2 PHE 75 -17.367 -3.318 3.442 603 2HB PHE 75 HB1 PHE 75 -18.788 -2.741 4.292 604 HD1 PHE 75 HD1 PHE 75 -17.908 -3.323 7.115 605 HD2 PHE 75 HD2 PHE 75 -15.860 -1.583 3.814 606 HE1 PHE 75 HE1 PHE 75 -16.458 -2.090 8.670 607 HE2 PHE 75 HE2 PHE 75 -14.404 -0.348 5.365 608 HZ PHE 75 HZ PHE 75 -14.702 -0.601 7.796 609 HA PRO 76 HA PRO 76 -22.280 -5.814 5.299 610 1HB PRO 76 HB2 PRO 76 -23.532 -3.338 5.613 611 2HB PRO 76 HB1 PRO 76 -23.116 -4.458 6.912 612 1HG PRO 76 HG2 PRO 76 -21.665 -2.036 5.958 613 2HG PRO 76 HG1 PRO 76 -21.847 -2.663 7.607 614 1HD PRO 76 HD2 PRO 76 -19.567 -2.965 6.228 615 2HD PRO 76 HD1 PRO 76 -20.154 -4.226 7.331 616 H ASP 77 HN ASP 77 -21.808 -6.223 3.051 617 HA ASP 77 HA ASP 77 -22.812 -6.231 0.959 618 1HB ASP 77 HB2 ASP 77 -24.482 -4.493 2.013 619 2HB ASP 77 HB1 ASP 77 -23.525 -3.329 1.103 620 H ARG 78 HN ARG 78 -20.167 -4.934 2.070 621 HA ARG 78 HA ARG 78 -19.249 -4.107 -0.588 622 1HB ARG 78 HB2 ARG 78 -19.686 -2.071 0.771 623 2HB ARG 78 HB1 ARG 78 -18.532 -2.652 1.963 624 1HG ARG 78 HG2 ARG 78 -17.078 -2.749 -0.354 625 2HG ARG 78 HG1 ARG 78 -18.084 -1.317 -0.590 626 1HD ARG 78 HD2 ARG 78 -17.315 -0.869 1.922 627 2HD ARG 78 HD1 ARG 78 -15.942 -1.839 1.394 628 HE ARG 78 HE ARG 78 -16.618 0.290 -0.414 629 1HH1 ARG 78 1HH1 ARG 78 -14.811 -0.570 2.445 630 2HH1 ARG 78 2HH1 ARG 78 -13.669 0.718 2.263 631 1HH2 ARG 78 1HH2 ARG 78 -15.115 1.986 -0.655 632 2HH2 ARG 78 2HH2 ARG 78 -13.842 2.170 0.503 633 H HIS 79 HN HIS 79 -18.151 -6.027 -0.897 634 HA HIS 79 HA HIS 79 -16.392 -7.103 1.099 635 1HB HIS 79 HB2 HIS 79 -16.451 -7.833 -1.828 636 2HB HIS 79 HB1 HIS 79 -15.903 -8.823 -0.480 637 HD1 HIS 79 HD1 HIS 79 -18.751 -7.636 0.983 638 HD2 HIS 79 HD2 HIS 79 -18.179 -10.152 -2.274 639 HE1 HIS 79 HE1 HIS 79 -20.894 -8.930 0.750 640 HE2 HIS 79 HE2 HIS 79 -20.556 -10.384 -1.281 641 H ILE 80 HN ILE 80 -14.666 -5.869 1.609 642 HA ILE 80 HA ILE 80 -13.069 -4.748 -0.578 643 HB ILE 80 HB ILE 80 -13.670 -3.018 0.910 644 1HG1 ILE 80 2HG1 ILE 80 -11.055 -3.561 2.176 645 2HG1 ILE 80 1HG1 ILE 80 -11.076 -3.582 0.416 646 1HG2 ILE 80 1HG2 ILE 80 -13.238 -3.174 3.367 647 2HG2 ILE 80 2HG2 ILE 80 -12.890 -4.887 3.137 648 3HG2 ILE 80 3HG2 ILE 80 -14.496 -4.257 2.772 649 1HD1 ILE 80 1HD1 ILE 80 -11.479 -1.354 0.258 650 2HD1 ILE 80 2HD1 ILE 80 -10.612 -1.377 1.794 651 3HD1 ILE 80 3HD1 ILE 80 -12.374 -1.293 1.777 652 H THR 81 HN THR 81 -11.439 -6.021 -1.172 653 HA THR 81 HA THR 81 -10.161 -7.775 0.787 654 HB THR 81 HB THR 81 -8.912 -8.137 -1.679 655 HG1 THR 81 HG1 THR 81 -10.310 -7.793 -3.201 656 1HG2 THR 81 1HG2 THR 81 -10.688 -9.627 0.021 657 2HG2 THR 81 2HG2 THR 81 -9.393 -10.195 -1.033 658 3HG2 THR 81 3HG2 THR 81 -11.014 -9.945 -1.682 659 H LEU 82 HN LEU 82 -8.399 -7.060 1.829 660 HA LEU 82 HA LEU 82 -6.822 -4.929 0.556 661 1HB LEU 82 HB2 LEU 82 -7.547 -5.565 3.349 662 2HB LEU 82 HB1 LEU 82 -5.930 -4.938 3.098 663 HG LEU 82 HG LEU 82 -8.466 -3.564 2.210 664 1HD1 LEU 82 1HD1 LEU 82 -6.763 -2.398 4.311 665 2HD1 LEU 82 2HD1 LEU 82 -7.692 -3.825 4.771 666 3HD1 LEU 82 3HD1 LEU 82 -8.517 -2.401 4.138 667 1HD2 LEU 82 1HD2 LEU 82 -5.614 -3.095 1.726 668 2HD2 LEU 82 2HD2 LEU 82 -6.501 -1.683 2.300 669 3HD2 LEU 82 3HD2 LEU 82 -7.028 -2.522 0.841 670 H TRP 83 HN TRP 83 -5.038 -5.590 -0.399 671 HA TRP 83 HA TRP 83 -3.580 -7.883 0.730 672 1HB TRP 83 HB2 TRP 83 -3.544 -6.735 -2.071 673 2HB TRP 83 HB1 TRP 83 -2.506 -8.045 -1.517 674 HD1 TRP 83 HD1 TRP 83 -6.223 -7.842 -0.610 675 HE1 TRP 83 HE1 TRP 83 -7.436 -9.839 -1.667 676 HE3 TRP 83 HE3 TRP 83 -2.376 -9.740 -3.380 677 HZ2 TRP 83 HZ2 TRP 83 -6.842 -11.955 -3.447 678 HZ3 TRP 83 HZ3 TRP 83 -2.779 -11.755 -4.733 679 HH2 TRP 83 HH2 TRP 83 -4.967 -12.839 -4.763 680 H PHE 84 HN PHE 84 -1.752 -7.456 1.745 681 HA PHE 84 HA PHE 84 -0.393 -4.910 1.161 682 1HB PHE 84 HB2 PHE 84 -0.781 -6.430 3.701 683 2HB PHE 84 HB1 PHE 84 0.640 -5.409 3.527 684 HD1 PHE 84 HD1 PHE 84 0.383 -3.415 4.655 685 HD2 PHE 84 HD2 PHE 84 -2.959 -5.066 2.598 686 HE1 PHE 84 HE1 PHE 84 -0.966 -1.468 5.293 687 HE2 PHE 84 HE2 PHE 84 -4.314 -3.113 3.233 688 HZ PHE 84 HZ PHE 84 -3.316 -1.311 4.582 689 H TRP 85 HN TRP 85 1.334 -5.206 -0.076 690 HA TRP 85 HA TRP 85 2.769 -7.737 0.030 691 1HB TRP 85 HB2 TRP 85 2.839 -5.437 -1.916 692 2HB TRP 85 HB1 TRP 85 3.935 -6.813 -2.014 693 HD1 TRP 85 HD1 TRP 85 0.076 -6.367 -1.754 694 HE1 TRP 85 HE1 TRP 85 -1.022 -8.071 -3.341 695 HE3 TRP 85 HE3 TRP 85 4.285 -8.634 -3.555 696 HZ2 TRP 85 HZ2 TRP 85 -0.210 -10.107 -5.119 697 HZ3 TRP 85 HZ3 TRP 85 4.041 -10.451 -5.194 698 HH2 TRP 85 HH2 TRP 85 1.838 -11.172 -5.960 699 H LEU 86 HN LEU 86 5.012 -7.905 0.354 700 HA LEU 86 HA LEU 86 6.141 -5.727 1.947 701 1HB LEU 86 HB2 LEU 86 6.065 -7.821 3.086 702 2HB LEU 86 HB1 LEU 86 6.822 -8.649 1.738 703 HG LEU 86 HG LEU 86 8.917 -7.443 2.164 704 1HD1 LEU 86 1HD1 LEU 86 8.542 -5.418 3.110 705 2HD1 LEU 86 2HD1 LEU 86 8.858 -6.334 4.584 706 3HD1 LEU 86 3HD1 LEU 86 7.198 -6.000 4.092 707 1HD2 LEU 86 1HD2 LEU 86 8.794 -9.546 3.210 708 2HD2 LEU 86 2HD2 LEU 86 7.678 -8.959 4.444 709 3HD2 LEU 86 3HD2 LEU 86 9.363 -8.437 4.458 710 H VAL 87 HN VAL 87 7.170 -4.353 0.624 711 HA VAL 87 HA VAL 87 8.704 -5.232 -1.670 712 HB VAL 87 HB VAL 87 8.540 -2.498 -0.473 713 1HG1 VAL 87 1HG1 VAL 87 8.894 -2.022 -3.051 714 2HG1 VAL 87 2HG1 VAL 87 9.664 -3.605 -2.974 715 3HG1 VAL 87 3HG1 VAL 87 10.246 -2.295 -1.955 716 1HG2 VAL 87 1HG2 VAL 87 6.925 -2.641 -2.769 717 2HG2 VAL 87 2HG2 VAL 87 6.390 -2.459 -1.098 718 3HG2 VAL 87 3HG2 VAL 87 6.531 -4.070 -1.811 719 H GLU 88 HN GLU 88 10.923 -5.074 -1.940 720 HA GLU 88 HA GLU 88 12.319 -4.752 0.613 721 1HB GLU 88 HB2 GLU 88 13.622 -6.042 -1.749 722 2HB GLU 88 HB1 GLU 88 13.919 -6.304 -0.038 723 1HG GLU 88 HG2 GLU 88 11.539 -7.275 0.009 724 2HG GLU 88 HG1 GLU 88 11.701 -7.356 -1.744 725 H ARG 89 HN ARG 89 12.396 -3.522 -2.731 726 HA ARG 89 HA ARG 89 13.905 -1.275 -1.815 727 1HB ARG 89 HB2 ARG 89 15.980 -1.598 -2.734 728 2HB ARG 89 HB1 ARG 89 15.583 -3.235 -2.240 729 1HG ARG 89 HG2 ARG 89 16.191 -3.787 -4.312 730 2HG ARG 89 HG1 ARG 89 14.601 -3.183 -4.771 731 1HD ARG 89 HD2 ARG 89 16.077 -2.113 -6.237 732 2HD ARG 89 HD1 ARG 89 15.729 -0.903 -5.006 733 HE ARG 89 HE ARG 89 18.238 -2.370 -5.351 734 1HH1 ARG 89 1HH1 ARG 89 16.409 0.082 -3.654 735 2HH1 ARG 89 2HH1 ARG 89 17.809 0.790 -2.926 736 1HH2 ARG 89 1HH2 ARG 89 20.070 -1.433 -4.389 737 2HH2 ARG 89 2HH2 ARG 89 19.884 -0.066 -3.341 738 H TRP 90 HN TRP 90 14.422 0.281 -3.614 739 HA TRP 90 HA TRP 90 12.942 -0.124 -6.058 740 1HB TRP 90 HB2 TRP 90 11.332 1.536 -5.820 741 2HB TRP 90 HB1 TRP 90 11.352 0.784 -4.233 742 HD1 TRP 90 HD1 TRP 90 12.801 3.915 -5.999 743 HE1 TRP 90 HE1 TRP 90 12.928 5.809 -4.262 744 HE3 TRP 90 HE3 TRP 90 11.318 1.314 -1.855 745 HZ2 TRP 90 HZ2 TRP 90 12.454 6.155 -1.504 746 HZ3 TRP 90 HZ3 TRP 90 11.175 2.506 0.293 747 HH2 TRP 90 HH2 TRP 90 11.734 4.875 0.464 748 H GLU 91 HN GLU 91 13.969 0.753 -7.726 749 HA GLU 91 HA GLU 91 16.326 2.328 -7.264 750 1HB GLU 91 HB2 GLU 91 14.953 1.425 -9.800 751 2HB GLU 91 HB1 GLU 91 16.465 2.322 -9.775 752 1HG GLU 91 HG2 GLU 91 17.544 0.524 -8.560 753 2HG GLU 91 HG1 GLU 91 16.024 -0.368 -8.499 754 H GLY 92 HN GLY 92 16.730 4.448 -7.943 755 1HA GLY 92 HA2 GLY 92 16.232 6.667 -8.252 756 2HA GLY 92 HA1 GLY 92 14.936 6.111 -9.302 757 H GLU 93 HN GLU 93 13.022 6.880 -8.740 758 HA GLU 93 HA GLU 93 12.352 7.041 -5.887 759 1HB GLU 93 HB2 GLU 93 12.129 9.206 -7.952 760 2HB GLU 93 HB1 GLU 93 11.026 9.171 -6.583 761 1HG GLU 93 HG2 GLU 93 13.311 8.932 -5.250 762 2HG GLU 93 HG1 GLU 93 13.922 9.766 -6.677 763 HA PRO 94 HA PRO 94 8.613 5.063 -7.217 764 1HB PRO 94 HB2 PRO 94 7.207 6.024 -4.878 765 2HB PRO 94 HB1 PRO 94 7.835 4.406 -5.193 766 1HG PRO 94 HG2 PRO 94 8.850 6.070 -3.282 767 2HG PRO 94 HG1 PRO 94 9.800 4.815 -4.097 768 1HD PRO 94 HD2 PRO 94 9.685 7.761 -4.639 769 2HD PRO 94 HD1 PRO 94 11.095 6.676 -4.596 770 H TRP 95 HN TRP 95 7.107 5.712 -8.640 771 HA TRP 95 HA TRP 95 5.759 8.251 -8.114 772 1HB TRP 95 HB2 TRP 95 5.872 8.787 -10.570 773 2HB TRP 95 HB1 TRP 95 7.393 8.908 -9.701 774 HD1 TRP 95 HD1 TRP 95 9.323 7.223 -10.374 775 HE1 TRP 95 HE1 TRP 95 9.704 5.754 -12.459 776 HE3 TRP 95 HE3 TRP 95 4.566 7.214 -12.231 777 HZ2 TRP 95 HZ2 TRP 95 8.187 4.755 -14.612 778 HZ3 TRP 95 HZ3 TRP 95 4.116 5.989 -14.314 779 HH2 TRP 95 HH2 TRP 95 5.887 4.774 -15.473 780 H GLY 96 HN GLY 96 5.782 5.570 -10.456 781 1HA GLY 96 HA2 GLY 96 4.024 4.477 -11.486 782 2HA GLY 96 HA1 GLY 96 3.391 4.404 -9.854 783 H LYS 97 HN LYS 97 1.723 5.727 -9.241 784 HA LYS 97 HA LYS 97 0.805 8.018 -10.480 785 1HB LYS 97 HB2 LYS 97 0.374 5.835 -12.165 786 2HB LYS 97 HB1 LYS 97 -1.189 6.121 -11.415 787 1HG LYS 97 HG2 LYS 97 -0.722 8.606 -12.060 788 2HG LYS 97 HG1 LYS 97 0.400 7.884 -13.215 789 1HD LYS 97 HD2 LYS 97 -1.423 6.522 -14.126 790 2HD LYS 97 HD1 LYS 97 -2.542 7.253 -12.975 791 1HE LYS 97 HE2 LYS 97 -2.633 8.245 -15.258 792 2HE LYS 97 HE1 LYS 97 -2.278 9.405 -13.979 793 1HZ LYS 97 HZ1 LYS 97 -0.120 9.646 -14.671 794 2HZ LYS 97 HZ2 LYS 97 -0.893 9.405 -16.155 795 3HZ LYS 97 HZ3 LYS 97 -0.058 8.130 -15.421 796 H GLU 98 HN GLU 98 0.986 6.887 -7.888 797 HA GLU 98 HA GLU 98 -1.524 6.015 -6.912 798 1HB GLU 98 HB2 GLU 98 -0.539 6.693 -4.672 799 2HB GLU 98 HB1 GLU 98 0.376 5.513 -5.596 800 1HG GLU 98 HG2 GLU 98 1.512 7.814 -6.452 801 2HG GLU 98 HG1 GLU 98 1.077 8.244 -4.808 802 H GLY 99 HN GLY 99 -0.114 9.160 -7.484 803 1HA GLY 99 HA2 GLY 99 -1.262 11.168 -7.736 804 2HA GLY 99 HA1 GLY 99 -2.706 10.394 -7.105 805 H GLN 100 HN GLN 100 -0.035 9.855 -5.095 806 HA GLN 100 HA GLN 100 -0.535 12.267 -3.515 807 1HB GLN 100 HB2 GLN 100 -0.953 9.436 -2.591 808 2HB GLN 100 HB1 GLN 100 -0.572 10.720 -1.451 809 1HG GLN 100 HG2 GLN 100 -2.628 11.588 -1.548 810 2HG GLN 100 HG1 GLN 100 -2.753 11.357 -3.291 811 1HE2 GLN 100 1HE2 GLN 100 -2.225 9.050 -0.659 812 2HE2 GLN 100 2HE2 GLN 100 -3.612 8.077 -0.998 813 HA PRO 101 HA PRO 101 4.000 11.842 -4.036 814 1HB PRO 101 HB2 PRO 101 3.478 14.341 -2.462 815 2HB PRO 101 HB1 PRO 101 4.677 14.056 -3.730 816 1HG PRO 101 HG2 PRO 101 2.458 15.356 -4.310 817 2HG PRO 101 HG1 PRO 101 3.068 14.119 -5.427 818 1HD PRO 101 HD2 PRO 101 0.768 13.998 -3.537 819 2HD PRO 101 HD1 PRO 101 0.971 13.227 -5.123 820 H GLY 102 HN GLY 102 5.438 10.960 -2.639 821 1HA GLY 102 HA2 GLY 102 4.861 11.137 0.249 822 2HA GLY 102 HA1 GLY 102 5.186 9.580 -0.498 823 H GLU 103 HN GLU 103 6.772 10.060 1.498 824 HA GLU 103 HA GLU 103 9.335 10.746 0.246 825 1HB GLU 103 HB2 GLU 103 8.127 11.948 2.684 826 2HB GLU 103 HB1 GLU 103 9.851 11.607 2.726 827 1HG GLU 103 HG2 GLU 103 8.966 12.971 0.298 828 2HG GLU 103 HG1 GLU 103 8.716 13.893 1.780 829 H TRP 104 HN TRP 104 11.194 9.762 1.313 830 HA TRP 104 HA TRP 104 10.621 7.081 2.137 831 1HB TRP 104 HB2 TRP 104 13.358 8.167 2.564 832 2HB TRP 104 HB1 TRP 104 12.856 6.646 1.838 833 HD1 TRP 104 HD1 TRP 104 11.019 7.983 -0.488 834 HE1 TRP 104 HE1 TRP 104 12.209 9.094 -2.481 835 HE3 TRP 104 HE3 TRP 104 15.595 8.796 1.646 836 HZ2 TRP 104 HZ2 TRP 104 14.749 10.172 -3.072 837 HZ3 TRP 104 HZ3 TRP 104 17.350 9.872 0.298 838 HH2 TRP 104 HH2 TRP 104 16.934 10.545 -2.012 839 H MET 105 HN MET 105 9.778 6.724 4.090 840 HA MET 105 HA MET 105 11.018 8.075 6.396 841 1HB MET 105 HB2 MET 105 8.221 6.999 6.478 842 2HB MET 105 HB1 MET 105 8.961 8.234 7.487 843 1HG MET 105 HG2 MET 105 9.100 9.370 5.011 844 2HG MET 105 HG1 MET 105 7.586 8.472 4.923 845 1HE MET 105 HE1 MET 105 5.512 8.970 6.980 846 2HE MET 105 HE2 MET 105 6.065 9.852 8.403 847 3HE MET 105 HE3 MET 105 6.894 8.378 7.903 848 H SER 106 HN SER 106 10.880 6.845 8.445 849 HA SER 106 HA SER 106 11.785 4.149 8.004 850 1HB SER 106 HB2 SER 106 12.477 5.993 9.830 851 2HB SER 106 HB1 SER 106 11.270 5.113 10.768 852 HG SER 106 HG SER 106 13.233 4.126 11.098 853 H LEU 107 HN LEU 107 10.436 2.502 7.774 854 HA LEU 107 HA LEU 107 7.696 2.625 8.557 855 1HB LEU 107 HB2 LEU 107 9.056 1.196 6.708 856 2HB LEU 107 HB1 LEU 107 8.882 -0.014 7.966 857 HG LEU 107 HG LEU 107 7.082 -0.201 6.344 858 1HD1 LEU 107 1HD1 LEU 107 5.213 -0.191 7.855 859 2HD1 LEU 107 2HD1 LEU 107 6.044 0.928 8.936 860 3HD1 LEU 107 3HD1 LEU 107 6.656 -0.711 8.726 861 1HD2 LEU 107 1HD2 LEU 107 6.927 2.709 6.773 862 2HD2 LEU 107 2HD2 LEU 107 5.380 1.872 6.649 863 3HD2 LEU 107 3HD2 LEU 107 6.557 1.749 5.342 864 H VAL 108 HN VAL 108 10.576 1.697 10.151 865 HA VAL 108 HA VAL 108 9.606 -0.251 11.928 866 HB VAL 108 HB VAL 108 12.005 0.221 11.595 867 1HG1 VAL 108 1HG1 VAL 108 12.023 2.468 13.493 868 2HG1 VAL 108 2HG1 VAL 108 11.376 2.833 11.894 869 3HG1 VAL 108 3HG1 VAL 108 13.007 2.183 12.057 870 1HG2 VAL 108 1HG2 VAL 108 11.197 -0.983 13.593 871 2HG2 VAL 108 2HG2 VAL 108 11.150 0.547 14.468 872 3HG2 VAL 108 3HG2 VAL 108 12.688 -0.092 13.891 873 H GLY 109 HN GLY 109 8.777 3.008 11.680 874 1HA GLY 109 HA2 GLY 109 7.666 2.959 14.404 875 2HA GLY 109 HA1 GLY 109 8.428 4.406 13.759 876 H LEU 110 HN LEU 110 6.168 2.050 12.388 877 HA LEU 110 HA LEU 110 4.676 3.919 10.923 878 1HB LEU 110 HB2 LEU 110 4.848 1.270 10.905 879 2HB LEU 110 HB1 LEU 110 3.425 1.404 11.913 880 HG LEU 110 HG LEU 110 2.625 1.081 9.723 881 1HD1 LEU 110 1HD1 LEU 110 1.733 3.106 11.095 882 2HD1 LEU 110 2HD1 LEU 110 1.234 2.885 9.418 883 3HD1 LEU 110 3HD1 LEU 110 2.488 4.058 9.817 884 1HD2 LEU 110 1HD2 LEU 110 4.065 1.423 8.068 885 2HD2 LEU 110 2HD2 LEU 110 4.986 2.601 9.002 886 3HD2 LEU 110 3HD2 LEU 110 3.556 3.111 8.102 887 H ASN 111 HN ASN 111 2.835 5.076 11.381 888 HA ASN 111 HA ASN 111 1.868 4.918 14.147 889 1HB ASN 111 HB2 ASN 111 2.863 7.144 12.652 890 2HB ASN 111 HB1 ASN 111 1.174 7.426 13.058 891 1HD2 ASN 111 1HD2 ASN 111 4.237 7.878 14.081 892 2HD2 ASN 111 2HD2 ASN 111 3.966 8.033 15.780 893 H ALA 112 HN ALA 112 -0.114 4.271 14.422 894 HA ALA 112 HA ALA 112 -1.881 3.854 12.232 895 1HB ALA 112 HB1 ALA 112 -3.012 3.768 14.952 896 2HB ALA 112 HB2 ALA 112 -1.645 2.695 14.652 897 3HB ALA 112 HB3 ALA 112 -3.093 2.580 13.650 898 H ASP 113 HN ASP 113 -1.220 6.537 14.219 899 HA ASP 113 HA ASP 113 -3.837 7.709 14.158 900 1HB ASP 113 HB2 ASP 113 -1.696 8.104 15.742 901 2HB ASP 113 HB1 ASP 113 -1.478 9.440 14.616 902 H ASP 114 HN ASP 114 -0.769 8.409 12.455 903 HA ASP 114 HA ASP 114 -1.911 10.471 10.867 904 1HB ASP 114 HB2 ASP 114 0.341 9.440 9.500 905 2HB ASP 114 HB1 ASP 114 0.229 10.906 10.453 906 H PHE 115 HN PHE 115 -1.861 7.041 10.590 907 HA PHE 115 HA PHE 115 -2.659 7.190 7.774 908 1HB PHE 115 HB2 PHE 115 -1.676 5.177 7.503 909 2HB PHE 115 HB1 PHE 115 -0.960 5.450 9.093 910 HD1 PHE 115 HD1 PHE 115 -2.284 2.971 7.272 911 HD2 PHE 115 HD2 PHE 115 -3.006 4.958 10.953 912 HE1 PHE 115 HE1 PHE 115 -3.398 0.962 8.137 913 HE2 PHE 115 HE2 PHE 115 -4.119 2.954 11.831 914 HZ PHE 115 HZ PHE 115 -4.314 0.959 10.419 915 HA PRO 116 HA PRO 116 -6.909 6.259 8.522 916 1HB PRO 116 HB2 PRO 116 -7.492 4.117 6.948 917 2HB PRO 116 HB1 PRO 116 -7.231 5.742 6.308 918 1HG PRO 116 HG2 PRO 116 -5.335 3.430 6.432 919 2HG PRO 116 HG1 PRO 116 -5.619 4.573 5.108 920 1HD PRO 116 HD2 PRO 116 -3.505 4.789 6.776 921 2HD PRO 116 HD1 PRO 116 -4.303 6.208 6.070 922 HA PRO 117 HA PRO 117 -6.708 3.231 11.837 923 1HB PRO 117 HB2 PRO 117 -9.286 3.533 12.690 924 2HB PRO 117 HB1 PRO 117 -7.975 4.637 13.119 925 1HG PRO 117 HG2 PRO 117 -10.069 4.914 10.997 926 2HG PRO 117 HG1 PRO 117 -9.457 6.132 12.131 927 1HD PRO 117 HD2 PRO 117 -8.639 6.039 9.570 928 2HD PRO 117 HD1 PRO 117 -7.545 6.514 10.886 929 H ALA 118 HN ALA 118 -8.919 3.190 9.167 930 HA ALA 118 HA ALA 118 -10.200 0.729 9.792 931 1HB ALA 118 HB1 ALA 118 -10.097 2.531 7.445 932 2HB ALA 118 HB2 ALA 118 -11.486 1.901 8.330 933 3HB ALA 118 HB3 ALA 118 -10.628 0.869 7.186 934 H ASN 119 HN ASN 119 -7.075 1.390 8.801 935 HA ASN 119 HA ASN 119 -6.782 -1.298 7.631 936 1HB ASN 119 HB2 ASN 119 -5.760 1.345 6.883 937 2HB ASN 119 HB1 ASN 119 -4.533 0.081 6.870 938 1HD2 ASN 119 1HD2 ASN 119 -7.985 -0.024 6.103 939 2HD2 ASN 119 2HD2 ASN 119 -7.789 -0.571 4.476 940 H GLU 120 HN GLU 120 -6.703 -0.558 10.487 941 HA GLU 120 HA GLU 120 -3.964 -0.582 11.309 942 1HB GLU 120 HB2 GLU 120 -6.533 -0.243 12.557 943 2HB GLU 120 HB1 GLU 120 -5.549 -1.362 13.487 944 1HG GLU 120 HG2 GLU 120 -3.706 0.441 13.224 945 2HG GLU 120 HG1 GLU 120 -5.059 1.509 12.856 946 HA PRO 121 HA PRO 121 -5.402 -5.267 12.313 947 1HB PRO 121 HB2 PRO 121 -6.134 -5.643 9.439 948 2HB PRO 121 HB1 PRO 121 -6.766 -6.458 10.875 949 1HG PRO 121 HG2 PRO 121 -8.180 -4.549 9.685 950 2HG PRO 121 HG1 PRO 121 -8.127 -4.667 11.455 951 1HD PRO 121 HD2 PRO 121 -6.770 -2.731 9.641 952 2HD PRO 121 HD1 PRO 121 -7.405 -2.489 11.281 953 H VAL 122 HN VAL 122 -4.219 -4.229 9.110 954 HA VAL 122 HA VAL 122 -2.198 -6.269 9.036 955 HB VAL 122 HB VAL 122 -1.973 -3.873 7.284 956 1HG1 VAL 122 1HG1 VAL 122 -0.872 -5.270 5.911 957 2HG1 VAL 122 2HG1 VAL 122 -1.993 -6.602 6.194 958 3HG1 VAL 122 3HG1 VAL 122 -0.715 -6.262 7.361 959 1HG2 VAL 122 1HG2 VAL 122 -4.368 -5.570 7.448 960 2HG2 VAL 122 2HG2 VAL 122 -3.706 -5.348 5.829 961 3HG2 VAL 122 3HG2 VAL 122 -4.166 -3.945 6.792 962 H ILE 123 HN ILE 123 -2.153 -2.736 9.344 963 HA ILE 123 HA ILE 123 0.614 -2.475 9.689 964 HB ILE 123 HB ILE 123 -1.622 -0.679 10.625 965 1HG1 ILE 123 2HG1 ILE 123 -0.618 -1.293 8.048 966 2HG1 ILE 123 1HG1 ILE 123 -1.785 -0.054 8.482 967 1HG2 ILE 123 1HG2 ILE 123 0.313 -0.155 11.922 968 2HG2 ILE 123 2HG2 ILE 123 0.148 1.081 10.675 969 3HG2 ILE 123 3HG2 ILE 123 1.347 -0.200 10.494 970 1HD1 ILE 123 1HD1 ILE 123 0.156 0.752 7.157 971 2HD1 ILE 123 2HD1 ILE 123 1.190 0.362 8.532 972 3HD1 ILE 123 3HD1 ILE 123 -0.074 1.587 8.695 973 H ALA 124 HN ALA 124 -1.971 -3.033 12.022 974 HA ALA 124 HA ALA 124 -0.605 -2.503 14.379 975 1HB ALA 124 HB1 ALA 124 -2.996 -2.978 14.310 976 2HB ALA 124 HB2 ALA 124 -2.180 -4.032 15.464 977 3HB ALA 124 HB3 ALA 124 -2.661 -4.657 13.886 978 H LYS 125 HN LYS 125 -0.363 -5.216 12.202 979 HA LYS 125 HA LYS 125 1.117 -6.863 14.046 980 1HB LYS 125 HB2 LYS 125 -0.294 -7.350 11.735 981 2HB LYS 125 HB1 LYS 125 1.374 -7.522 11.206 982 1HG LYS 125 HG2 LYS 125 0.445 -8.901 13.686 983 2HG LYS 125 HG1 LYS 125 0.085 -9.584 12.100 984 1HD LYS 125 HD2 LYS 125 2.305 -9.992 11.624 985 2HD LYS 125 HD1 LYS 125 2.879 -8.742 12.729 986 1HE LYS 125 HE2 LYS 125 1.556 -11.295 13.629 987 2HE LYS 125 HE1 LYS 125 3.301 -11.099 13.477 988 1HZ LYS 125 HZ1 LYS 125 1.900 -9.085 15.042 989 2HZ LYS 125 HZ2 LYS 125 3.406 -9.808 15.308 990 3HZ LYS 125 HZ3 LYS 125 1.988 -10.631 15.723 991 H LEU 126 HN LEU 126 1.948 -4.996 11.123 992 HA LEU 126 HA LEU 126 4.754 -5.542 11.392 993 1HB LEU 126 HB2 LEU 126 3.409 -5.040 9.246 994 2HB LEU 126 HB1 LEU 126 3.589 -3.357 9.702 995 HG LEU 126 HG LEU 126 6.154 -4.068 9.851 996 1HD1 LEU 126 1HD1 LEU 126 6.279 -5.517 7.583 997 2HD1 LEU 126 2HD1 LEU 126 4.830 -6.203 8.319 998 3HD1 LEU 126 3HD1 LEU 126 6.357 -6.212 9.201 999 1HD2 LEU 126 1HD2 LEU 126 4.608 -3.346 7.369 1000 2HD2 LEU 126 2HD2 LEU 126 6.367 -3.289 7.490 1001 3HD2 LEU 126 3HD2 LEU 126 5.380 -2.247 8.513 1002 H LYS 127 HN LYS 127 2.684 -2.712 11.892 1003 HA LYS 127 HA LYS 127 4.566 -0.814 12.576 1004 1HB LYS 127 HB2 LYS 127 2.251 -0.276 12.307 1005 2HB LYS 127 HB1 LYS 127 1.798 -1.252 13.688 1006 1HG LYS 127 HG2 LYS 127 2.840 0.261 15.195 1007 2HG LYS 127 HG1 LYS 127 3.581 1.160 13.871 1008 1HD LYS 127 HD2 LYS 127 1.668 2.380 14.710 1009 2HD LYS 127 HD1 LYS 127 1.322 1.790 13.084 1010 1HE LYS 127 HE2 LYS 127 -0.549 0.913 13.910 1011 2HE LYS 127 HE1 LYS 127 0.465 -0.253 14.759 1012 1HZ LYS 127 HZ1 LYS 127 -0.029 2.383 15.966 1013 2HZ LYS 127 HZ2 LYS 127 0.315 0.907 16.718 1014 3HZ LYS 127 HZ3 LYS 127 -1.222 1.186 16.070 1015 H ARG 128 HN ARG 128 3.051 -3.276 14.611 1016 HA ARG 128 HA ARG 128 4.214 -2.467 17.050 1017 1HB ARG 128 HB2 ARG 128 2.274 -4.033 16.814 1018 2HB ARG 128 HB1 ARG 128 3.392 -5.265 16.247 1019 1HG ARG 128 HG2 ARG 128 4.529 -5.287 18.361 1020 2HG ARG 128 HG1 ARG 128 3.565 -3.926 18.937 1021 1HD ARG 128 HD2 ARG 128 1.749 -5.214 19.349 1022 2HD ARG 128 HD1 ARG 128 2.060 -6.277 17.978 1023 HE ARG 128 HE ARG 128 2.807 -6.731 20.670 1024 1HH1 ARG 128 1HH1 ARG 128 3.947 -7.166 17.400 1025 2HH1 ARG 128 2HH1 ARG 128 4.927 -8.539 17.793 1026 1HH2 ARG 128 1HH2 ARG 128 4.096 -8.535 21.187 1027 2HH2 ARG 128 2HH2 ARG 128 5.012 -9.316 19.942 1028 H LEU 129 HN LEU 129 5.637 -3.634 14.271 1029 HA LEU 129 HA LEU 129 7.738 -4.350 13.766 1030 1HB LEU 129 HB2 LEU 129 8.073 -3.177 16.478 1031 2HB LEU 129 HB1 LEU 129 9.380 -4.168 15.862 1032 HG LEU 129 HG LEU 129 9.689 -2.702 13.973 1033 1HD1 LEU 129 1HD1 LEU 129 7.542 -0.881 14.999 1034 2HD1 LEU 129 2HD1 LEU 129 7.179 -2.169 13.850 1035 3HD1 LEU 129 3HD1 LEU 129 8.324 -0.900 13.419 1036 1HD2 LEU 129 1HD2 LEU 129 9.782 -1.724 16.727 1037 2HD2 LEU 129 2HD2 LEU 129 9.768 -0.444 15.515 1038 3HD2 LEU 129 3HD2 LEU 129 11.015 -1.690 15.466 1039 1HO1 MO2 130 1HO1 MO2 130 -5.393 4.123 -11.027 1040 2HO1 MO2 130 2HO1 MO2 130 -3.056 4.097 -7.297 1041 1HO2 MO2 130 1HO2 MO2 130 -5.897 4.498 -9.651 1042 2HO2 MO2 130 2HO2 MO2 130 -2.357 4.469 -8.585 1043 1H5* 8OG 131 1H5* 8OG 131 -12.639 4.723 -3.814 1044 2H5* 8OG 131 2H5* 8OG 131 -12.342 4.702 -2.103 1045 H4* 8OG 131 1H4* 8OG 131 -10.638 3.537 -4.294 1046 H3* 8OG 131 1H3* 8OG 131 -12.735 2.373 -2.789 1047 1H2* 8OG 131 1H2* 8OG 131 -11.671 1.135 -1.260 1048 2H2* 8OG 131 2H2* 8OG 131 -10.669 0.424 -2.506 1049 H1* 8OG 131 1H1* 8OG 131 -8.926 1.640 -1.897 1050 H1 8OG 131 H1 8OG 131 -5.810 1.142 3.152 1051 H7 8OG 131 H7 8OG 131 -10.558 2.639 2.849 1052 1H2 8OG 131 H21 8OG 131 -4.794 0.651 -0.158 1053 2H2 8OG 131 H22 8OG 131 -4.348 0.593 1.514 1054 H3T 8OG 131 *HO1 8OG 131 -10.909 1.268 -4.717 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -25.355 -6.527 -4.097 2 2H MET 1 HT2 MET 1 -24.777 -5.381 -2.958 3 3H MET 1 HT3 MET 1 -25.710 -6.722 -2.431 4 HA MET 1 HA MET 1 -23.586 -7.297 -1.897 5 1HB MET 1 HB2 MET 1 -23.123 -9.170 -3.377 6 2HB MET 1 HB1 MET 1 -24.859 -9.010 -3.144 7 1HG MET 1 HG2 MET 1 -24.199 -7.476 -5.410 8 2HG MET 1 HG1 MET 1 -23.351 -9.012 -5.567 9 1HE MET 1 HE1 MET 1 -26.977 -7.626 -4.496 10 2HE MET 1 HE2 MET 1 -27.812 -8.219 -5.932 11 3HE MET 1 HE3 MET 1 -26.467 -7.091 -6.097 12 H LYS 2 HN LYS 2 -22.779 -4.927 -2.348 13 HA LYS 2 HA LYS 2 -21.174 -4.560 -4.688 14 1HB LYS 2 HB2 LYS 2 -22.251 -2.860 -2.865 15 2HB LYS 2 HB1 LYS 2 -20.585 -2.913 -2.309 16 1HG LYS 2 HG2 LYS 2 -19.777 -2.129 -4.407 17 2HG LYS 2 HG1 LYS 2 -21.368 -2.309 -5.149 18 1HD LYS 2 HD2 LYS 2 -21.190 -0.574 -2.756 19 2HD LYS 2 HD1 LYS 2 -20.448 0.030 -4.239 20 1HE LYS 2 HE2 LYS 2 -22.654 -0.557 -5.378 21 2HE LYS 2 HE1 LYS 2 -23.317 -0.723 -3.753 22 1HZ LYS 2 HZ1 LYS 2 -23.436 1.539 -5.021 23 2HZ LYS 2 HZ2 LYS 2 -21.862 1.732 -4.434 24 3HZ LYS 2 HZ3 LYS 2 -23.143 1.506 -3.355 25 H LYS 3 HN LYS 3 -19.060 -4.963 -5.002 26 HA LYS 3 HA LYS 3 -17.390 -5.700 -2.714 27 1HB LYS 3 HB2 LYS 3 -17.548 -7.372 -5.227 28 2HB LYS 3 HB1 LYS 3 -16.562 -7.696 -3.807 29 1HG LYS 3 HG2 LYS 3 -18.570 -8.048 -2.476 30 2HG LYS 3 HG1 LYS 3 -19.573 -7.691 -3.884 31 1HD LYS 3 HD2 LYS 3 -19.380 -10.096 -3.547 32 2HD LYS 3 HD1 LYS 3 -18.601 -9.612 -5.056 33 1HE LYS 3 HE2 LYS 3 -16.543 -10.181 -4.327 34 2HE LYS 3 HE1 LYS 3 -16.861 -9.636 -2.682 35 1HZ LYS 3 HZ1 LYS 3 -18.403 -11.730 -2.674 36 2HZ LYS 3 HZ2 LYS 3 -16.746 -11.878 -2.373 37 3HZ LYS 3 HZ3 LYS 3 -17.363 -12.252 -3.902 38 H LEU 4 HN LEU 4 -15.343 -4.982 -2.852 39 HA LEU 4 HA LEU 4 -14.238 -4.206 -5.434 40 1HB LEU 4 HB2 LEU 4 -13.671 -1.974 -4.719 41 2HB LEU 4 HB1 LEU 4 -15.404 -2.211 -4.598 42 HG LEU 4 HG LEU 4 -14.150 -2.855 -2.086 43 1HD1 LEU 4 1HD1 LEU 4 -12.541 -1.118 -3.200 44 2HD1 LEU 4 2HD1 LEU 4 -13.019 -0.947 -1.510 45 3HD1 LEU 4 3HD1 LEU 4 -13.806 0.028 -2.751 46 1HD2 LEU 4 1HD2 LEU 4 -16.532 -2.271 -2.511 47 2HD2 LEU 4 2HD2 LEU 4 -16.023 -0.611 -2.815 48 3HD2 LEU 4 3HD2 LEU 4 -15.781 -1.330 -1.223 49 H GLN 5 HN GLN 5 -12.027 -4.336 -5.527 50 HA GLN 5 HA GLN 5 -10.723 -5.406 -3.130 51 1HB GLN 5 HB2 GLN 5 -9.640 -5.588 -5.923 52 2HB GLN 5 HB1 GLN 5 -9.232 -6.576 -4.529 53 1HG GLN 5 HG2 GLN 5 -11.530 -7.498 -4.579 54 2HG GLN 5 HG1 GLN 5 -11.820 -6.578 -6.048 55 1HE2 GLN 5 1HE2 GLN 5 -10.736 -9.478 -4.775 56 2HE2 GLN 5 2HE2 GLN 5 -10.033 -10.146 -6.206 57 H ILE 6 HN ILE 6 -8.684 -4.771 -2.530 58 HA ILE 6 HA ILE 6 -7.431 -2.492 -3.824 59 HB ILE 6 HB ILE 6 -7.226 -1.872 -1.087 60 1HG1 ILE 6 2HG1 ILE 6 -9.351 -3.328 -0.937 61 2HG1 ILE 6 1HG1 ILE 6 -9.395 -1.731 -0.202 62 1HG2 ILE 6 1HG2 ILE 6 -7.214 0.029 -2.245 63 2HG2 ILE 6 2HG2 ILE 6 -8.972 -0.028 -2.126 64 3HG2 ILE 6 3HG2 ILE 6 -8.166 -0.663 -3.559 65 1HD1 ILE 6 1HD1 ILE 6 -10.273 -1.694 -2.963 66 2HD1 ILE 6 2HD1 ILE 6 -11.064 -1.084 -1.511 67 3HD1 ILE 6 3HD1 ILE 6 -11.234 -2.780 -1.959 68 H ALA 7 HN ALA 7 -5.361 -3.085 -4.075 69 HA ALA 7 HA ALA 7 -4.114 -4.636 -1.898 70 1HB ALA 7 HB1 ALA 7 -3.962 -5.098 -4.853 71 2HB ALA 7 HB2 ALA 7 -4.324 -6.244 -3.570 72 3HB ALA 7 HB3 ALA 7 -2.680 -5.645 -3.779 73 H VAL 8 HN VAL 8 -2.166 -3.942 -1.214 74 HA VAL 8 HA VAL 8 -0.711 -2.009 -2.834 75 HB VAL 8 HB VAL 8 -0.938 -0.216 -1.514 76 1HG1 VAL 8 1HG1 VAL 8 -3.051 -0.017 -0.356 77 2HG1 VAL 8 2HG1 VAL 8 -3.215 -1.771 -0.297 78 3HG1 VAL 8 3HG1 VAL 8 -3.268 -0.932 -1.848 79 1HG2 VAL 8 1HG2 VAL 8 -0.940 -2.055 0.876 80 2HG2 VAL 8 2HG2 VAL 8 -0.981 -0.294 0.962 81 3HG2 VAL 8 3HG2 VAL 8 0.419 -1.110 0.263 82 H GLY 9 HN GLY 9 1.444 -1.519 -1.934 83 1HA GLY 9 HA2 GLY 9 2.455 -3.580 -0.108 84 2HA GLY 9 HA1 GLY 9 3.190 -3.421 -1.692 85 H ILE 10 HN ILE 10 3.864 -2.789 1.335 86 HA ILE 10 HA ILE 10 4.546 -0.014 1.276 87 HB ILE 10 HB ILE 10 6.233 -1.252 3.157 88 1HG1 ILE 10 2HG1 ILE 10 3.453 -2.441 3.266 89 2HG1 ILE 10 1HG1 ILE 10 4.935 -3.328 2.915 90 1HG2 ILE 10 1HG2 ILE 10 3.562 -0.136 3.885 91 2HG2 ILE 10 2HG2 ILE 10 4.795 0.899 3.165 92 3HG2 ILE 10 3HG2 ILE 10 5.119 0.069 4.687 93 1HD1 ILE 10 1HD1 ILE 10 5.293 -3.643 5.070 94 2HD1 ILE 10 2HD1 ILE 10 3.751 -2.857 5.410 95 3HD1 ILE 10 3HD1 ILE 10 5.237 -1.907 5.373 96 H ILE 11 HN ILE 11 5.994 0.717 -0.144 97 HA ILE 11 HA ILE 11 8.037 -0.910 -1.259 98 HB ILE 11 HB ILE 11 8.190 2.068 -1.396 99 1HG1 ILE 11 2HG1 ILE 11 6.115 0.317 -2.717 100 2HG1 ILE 11 1HG1 ILE 11 5.858 1.781 -1.774 101 1HG2 ILE 11 1HG2 ILE 11 8.436 0.366 -3.782 102 2HG2 ILE 11 2HG2 ILE 11 9.652 0.102 -2.532 103 3HG2 ILE 11 3HG2 ILE 11 9.440 1.707 -3.232 104 1HD1 ILE 11 1HD1 ILE 11 6.815 3.124 -3.535 105 2HD1 ILE 11 2HD1 ILE 11 5.518 2.121 -4.181 106 3HD1 ILE 11 3HD1 ILE 11 7.201 1.676 -4.462 107 H ARG 12 HN ARG 12 9.999 -1.338 -0.553 108 HA ARG 12 HA ARG 12 10.978 -0.065 1.855 109 1HB ARG 12 HB2 ARG 12 11.383 -2.597 0.505 110 2HB ARG 12 HB1 ARG 12 12.906 -1.876 1.001 111 1HG ARG 12 HG2 ARG 12 10.999 -1.649 3.120 112 2HG ARG 12 HG1 ARG 12 11.093 -3.318 2.570 113 1HD ARG 12 HD2 ARG 12 13.674 -1.942 2.887 114 2HD ARG 12 HD1 ARG 12 12.774 -2.217 4.378 115 HE ARG 12 HE ARG 12 14.082 -4.189 2.757 116 1HH1 ARG 12 1HH1 ARG 12 11.512 -3.642 5.053 117 2HH1 ARG 12 2HH1 ARG 12 11.481 -5.285 5.599 118 1HH2 ARG 12 1HH2 ARG 12 14.043 -6.351 3.474 119 2HH2 ARG 12 2HH2 ARG 12 12.918 -6.823 4.703 120 H ASN 13 HN ASN 13 12.418 1.434 1.963 121 HA ASN 13 HA ASN 13 13.515 2.675 -0.337 122 1HB ASN 13 HB2 ASN 13 13.007 3.564 2.124 123 2HB ASN 13 HB1 ASN 13 14.720 3.274 2.270 124 1HD2 ASN 13 1HD2 ASN 13 14.032 5.764 2.604 125 2HD2 ASN 13 2HD2 ASN 13 14.382 6.734 1.218 126 H GLU 14 HN GLU 14 15.919 3.460 0.193 127 HA GLU 14 HA GLU 14 17.565 1.396 -0.753 128 1HB GLU 14 HB2 GLU 14 18.085 3.597 -1.399 129 2HB GLU 14 HB1 GLU 14 18.064 4.177 0.264 130 1HG GLU 14 HG2 GLU 14 20.090 2.135 -0.513 131 2HG GLU 14 HG1 GLU 14 20.316 3.801 -1.046 132 H ASN 15 HN ASN 15 16.613 2.023 2.428 133 HA ASN 15 HA ASN 15 18.824 0.348 3.393 134 1HB ASN 15 HB2 ASN 15 19.358 2.635 4.031 135 2HB ASN 15 HB1 ASN 15 17.772 2.829 4.769 136 1HD2 ASN 15 1HD2 ASN 15 20.261 0.301 4.895 137 2HD2 ASN 15 2HD2 ASN 15 20.381 0.268 6.618 138 H ASN 16 HN ASN 16 16.193 1.857 5.216 139 HA ASN 16 HA ASN 16 14.776 -0.674 5.403 140 1HB ASN 16 HB2 ASN 16 16.628 0.133 7.401 141 2HB ASN 16 HB1 ASN 16 15.010 0.247 8.081 142 1HD2 ASN 16 1HD2 ASN 16 17.353 -1.644 8.416 143 2HD2 ASN 16 2HD2 ASN 16 16.646 -3.213 8.264 144 H GLU 17 HN GLU 17 14.451 2.304 4.645 145 HA GLU 17 HA GLU 17 12.106 2.914 6.301 146 1HB GLU 17 HB2 GLU 17 13.332 4.703 4.203 147 2HB GLU 17 HB1 GLU 17 12.256 5.156 5.516 148 1HG GLU 17 HG2 GLU 17 13.944 5.462 6.923 149 2HG GLU 17 HG1 GLU 17 14.688 3.925 6.489 150 H ILE 18 HN ILE 18 10.130 3.644 5.102 151 HA ILE 18 HA ILE 18 9.982 2.403 2.439 152 HB ILE 18 HB ILE 18 8.187 1.962 4.783 153 1HG1 ILE 18 2HG1 ILE 18 8.322 -0.395 4.000 154 2HG1 ILE 18 1HG1 ILE 18 9.406 0.130 2.722 155 1HG2 ILE 18 1HG2 ILE 18 6.785 0.743 2.832 156 2HG2 ILE 18 2HG2 ILE 18 7.357 2.169 1.970 157 3HG2 ILE 18 3HG2 ILE 18 6.414 2.352 3.449 158 1HD1 ILE 18 1HD1 ILE 18 10.296 0.999 5.336 159 2HD1 ILE 18 2HD1 ILE 18 11.158 0.110 4.081 160 3HD1 ILE 18 3HD1 ILE 18 10.127 -0.753 5.221 161 H PHE 19 HN PHE 19 8.830 3.454 0.920 162 HA PHE 19 HA PHE 19 7.970 6.155 1.530 163 1HB PHE 19 HB2 PHE 19 9.122 6.206 -0.463 164 2HB PHE 19 HB1 PHE 19 8.595 4.597 -0.935 165 HD1 PHE 19 HD1 PHE 19 7.979 8.140 -1.192 166 HD2 PHE 19 HD2 PHE 19 6.311 4.286 -1.880 167 HE1 PHE 19 HE1 PHE 19 6.318 9.131 -2.712 168 HE2 PHE 19 HE2 PHE 19 4.647 5.272 -3.399 169 HZ PHE 19 HZ PHE 19 4.650 7.698 -3.817 170 H ILE 20 HN ILE 20 5.953 6.545 2.175 171 HA ILE 20 HA ILE 20 3.799 4.830 1.133 172 HB ILE 20 HB ILE 20 2.875 6.124 3.466 173 1HG1 ILE 20 2HG1 ILE 20 5.488 4.684 3.968 174 2HG1 ILE 20 1HG1 ILE 20 5.272 6.428 4.067 175 1HG2 ILE 20 1HG2 ILE 20 2.084 3.997 2.643 176 2HG2 ILE 20 2HG2 ILE 20 2.653 3.824 4.303 177 3HG2 ILE 20 3HG2 ILE 20 3.654 3.260 2.964 178 1HD1 ILE 20 1HD1 ILE 20 5.210 5.555 6.271 179 2HD1 ILE 20 2HD1 ILE 20 4.026 4.330 5.817 180 3HD1 ILE 20 3HD1 ILE 20 3.567 6.032 5.843 181 H THR 21 HN THR 21 2.449 5.850 -0.175 182 HA THR 21 HA THR 21 2.520 8.673 -0.532 183 HB THR 21 HB THR 21 0.294 7.974 -1.865 184 HG1 THR 21 HG1 THR 21 0.668 5.807 -2.628 185 1HG2 THR 21 1HG2 THR 21 2.904 8.465 -2.575 186 2HG2 THR 21 2HG2 THR 21 1.542 8.253 -3.677 187 3HG2 THR 21 3HG2 THR 21 2.576 6.880 -3.276 188 H ARG 22 HN ARG 22 1.615 10.110 0.767 189 HA ARG 22 HA ARG 22 -0.766 9.326 2.300 190 1HB ARG 22 HB2 ARG 22 -0.156 10.953 3.931 191 2HB ARG 22 HB1 ARG 22 1.304 10.058 3.537 192 1HG ARG 22 HG2 ARG 22 1.879 11.930 1.946 193 2HG ARG 22 HG1 ARG 22 0.552 12.835 2.678 194 1HD ARG 22 HD2 ARG 22 1.604 12.881 4.780 195 2HD ARG 22 HD1 ARG 22 2.748 11.619 4.327 196 HE ARG 22 HE ARG 22 3.058 14.407 3.927 197 1HH1 ARG 22 1HH1 ARG 22 3.721 11.325 2.430 198 2HH1 ARG 22 2HH1 ARG 22 5.092 11.907 1.548 199 1HH2 ARG 22 1HH2 ARG 22 4.860 15.174 2.767 200 2HH2 ARG 22 2HH2 ARG 22 5.740 14.093 1.739 201 H ARG 23 HN ARG 23 -2.186 11.302 2.859 202 HA ARG 23 HA ARG 23 -3.224 12.306 0.404 203 1HB ARG 23 HB2 ARG 23 -3.866 12.881 3.294 204 2HB ARG 23 HB1 ARG 23 -4.703 13.681 1.969 205 1HG ARG 23 HG2 ARG 23 -4.743 10.905 1.437 206 2HG ARG 23 HG1 ARG 23 -5.201 11.129 3.126 207 1HD ARG 23 HD2 ARG 23 -7.240 11.687 2.445 208 2HD ARG 23 HD1 ARG 23 -6.554 13.122 1.685 209 HE ARG 23 HE ARG 23 -7.442 10.714 0.378 210 1HH1 ARG 23 1HH1 ARG 23 -5.416 13.545 0.118 211 2HH1 ARG 23 2HH1 ARG 23 -5.396 13.524 -1.613 212 1HH2 ARG 23 1HH2 ARG 23 -7.415 10.685 -1.898 213 2HH2 ARG 23 2HH2 ARG 23 -6.530 11.901 -2.757 214 H ALA 24 HN ALA 24 -0.897 13.189 -0.018 215 HA ALA 24 HA ALA 24 0.551 14.930 -0.244 216 1HB ALA 24 HB1 ALA 24 -1.462 15.609 -1.574 217 2HB ALA 24 HB2 ALA 24 -0.441 16.944 -1.038 218 3HB ALA 24 HB3 ALA 24 -1.954 16.601 -0.200 219 H ALA 25 HN ALA 25 0.598 17.537 0.561 220 HA ALA 25 HA ALA 25 1.238 17.254 3.355 221 1HB ALA 25 HB1 ALA 25 2.416 19.223 3.160 222 2HB ALA 25 HB2 ALA 25 1.338 19.871 1.924 223 3HB ALA 25 HB3 ALA 25 2.492 18.604 1.511 224 H ASP 26 HN ASP 26 -1.251 18.805 1.435 225 HA ASP 26 HA ASP 26 -2.932 19.082 3.752 226 1HB ASP 26 HB2 ASP 26 -3.308 21.562 3.320 227 2HB ASP 26 HB1 ASP 26 -1.783 21.132 4.088 228 H ALA 27 HN ALA 27 -5.059 19.045 3.219 229 HA ALA 27 HA ALA 27 -6.110 19.910 0.735 230 1HB ALA 27 HB1 ALA 27 -6.820 17.529 0.030 231 2HB ALA 27 HB2 ALA 27 -5.463 17.001 1.025 232 3HB ALA 27 HB3 ALA 27 -5.185 18.074 -0.346 233 H HIS 28 HN HIS 28 -6.937 17.008 2.612 234 HA HIS 28 HA HIS 28 -9.091 18.403 3.962 235 1HB HIS 28 HB2 HIS 28 -9.894 17.584 1.642 236 2HB HIS 28 HB1 HIS 28 -9.824 15.973 2.349 237 HD1 HIS 28 HD1 HIS 28 -12.110 15.286 2.965 238 HD2 HIS 28 HD2 HIS 28 -11.450 19.313 3.755 239 HE1 HIS 28 HE1 HIS 28 -14.235 16.121 4.019 240 HE2 HIS 28 HE2 HIS 28 -13.843 18.580 4.409 241 H MET 29 HN MET 29 -8.272 15.022 3.164 242 HA MET 29 HA MET 29 -8.323 14.428 6.044 243 1HB MET 29 HB2 MET 29 -9.741 13.205 4.123 244 2HB MET 29 HB1 MET 29 -8.282 12.229 4.050 245 1HG MET 29 HG2 MET 29 -9.617 11.079 5.543 246 2HG MET 29 HG1 MET 29 -8.549 12.009 6.593 247 1HE MET 29 HE1 MET 29 -10.678 11.302 8.515 248 2HE MET 29 HE2 MET 29 -11.152 12.921 9.028 249 3HE MET 29 HE3 MET 29 -9.466 12.575 8.643 250 H ALA 30 HN ALA 30 -6.156 15.285 6.264 251 HA ALA 30 HA ALA 30 -3.958 14.099 4.884 252 1HB ALA 30 HB1 ALA 30 -4.306 16.074 7.055 253 2HB ALA 30 HB2 ALA 30 -3.314 16.146 5.599 254 3HB ALA 30 HB3 ALA 30 -2.763 15.222 6.996 255 H ASN 31 HN ASN 31 -5.928 12.944 7.349 256 HA ASN 31 HA ASN 31 -3.817 11.347 8.586 257 1HB ASN 31 HB2 ASN 31 -6.354 12.400 9.458 258 2HB ASN 31 HB1 ASN 31 -6.316 10.656 9.694 259 1HD2 ASN 31 1HD2 ASN 31 -6.335 11.007 11.943 260 2HD2 ASN 31 2HD2 ASN 31 -4.902 11.479 12.786 261 H LYS 32 HN LYS 32 -4.787 10.917 5.807 262 HA LYS 32 HA LYS 32 -5.790 8.174 6.120 263 1HB LYS 32 HB2 LYS 32 -6.566 10.322 4.319 264 2HB LYS 32 HB1 LYS 32 -6.173 8.842 3.455 265 1HG LYS 32 HG2 LYS 32 -7.732 7.686 5.133 266 2HG LYS 32 HG1 LYS 32 -8.310 9.313 5.499 267 1HD LYS 32 HD2 LYS 32 -8.716 9.596 3.025 268 2HD LYS 32 HD1 LYS 32 -8.397 7.869 2.857 269 1HE LYS 32 HE2 LYS 32 -10.472 8.971 4.735 270 2HE LYS 32 HE1 LYS 32 -10.829 8.553 3.059 271 1HZ LYS 32 HZ1 LYS 32 -11.323 6.586 4.024 272 2HZ LYS 32 HZ2 LYS 32 -10.274 6.814 5.332 273 3HZ LYS 32 HZ3 LYS 32 -9.663 6.319 3.834 274 H LEU 33 HN LEU 33 -3.038 9.140 6.220 275 HA LEU 33 HA LEU 33 -1.486 8.761 4.010 276 1HB LEU 33 HB2 LEU 33 -0.870 9.249 6.476 277 2HB LEU 33 HB1 LEU 33 -0.752 7.514 6.635 278 HG LEU 33 HG LEU 33 1.068 9.423 5.304 279 1HD1 LEU 33 1HD1 LEU 33 1.722 6.727 6.419 280 2HD1 LEU 33 2HD1 LEU 33 1.390 8.094 7.482 281 3HD1 LEU 33 3HD1 LEU 33 2.726 8.174 6.333 282 1HD2 LEU 33 1HD2 LEU 33 1.960 7.819 3.752 283 2HD2 LEU 33 2HD2 LEU 33 0.247 8.042 3.408 284 3HD2 LEU 33 3HD2 LEU 33 0.793 6.604 4.270 285 H GLU 34 HN GLU 34 -1.543 7.176 2.520 286 HA GLU 34 HA GLU 34 -1.865 4.411 3.483 287 1HB GLU 34 HB2 GLU 34 -3.679 5.774 1.921 288 2HB GLU 34 HB1 GLU 34 -2.750 4.874 0.731 289 1HG GLU 34 HG2 GLU 34 -4.781 3.705 1.531 290 2HG GLU 34 HG1 GLU 34 -3.291 2.797 1.777 291 H PHE 35 HN PHE 35 -1.457 2.989 1.260 292 HA PHE 35 HA PHE 35 1.269 3.712 0.422 293 1HB PHE 35 HB2 PHE 35 0.546 0.852 0.379 294 2HB PHE 35 HB1 PHE 35 2.048 1.623 0.849 295 HD1 PHE 35 HD1 PHE 35 2.672 1.526 3.048 296 HD2 PHE 35 HD2 PHE 35 -1.464 1.264 2.079 297 HE1 PHE 35 HE1 PHE 35 2.143 1.140 5.419 298 HE2 PHE 35 HE2 PHE 35 -1.999 0.882 4.449 299 HZ PHE 35 HZ PHE 35 -0.194 0.820 6.122 300 HA PRO 36 HA PRO 36 0.071 3.093 -3.782 301 1HB PRO 36 HB2 PRO 36 2.270 2.097 -4.928 302 2HB PRO 36 HB1 PRO 36 2.251 3.716 -4.220 303 1HG PRO 36 HG2 PRO 36 3.347 1.171 -3.101 304 2HG PRO 36 HG1 PRO 36 4.029 2.805 -3.046 305 1HD PRO 36 HD2 PRO 36 2.639 1.617 -0.982 306 2HD PRO 36 HD1 PRO 36 2.821 3.368 -1.194 307 H GLY 37 HN GLY 37 -0.179 1.609 -5.598 308 1HA GLY 37 HA2 GLY 37 -0.232 -0.581 -6.519 309 2HA GLY 37 HA1 GLY 37 -0.189 -1.239 -4.905 310 H GLY 38 HN GLY 38 -2.424 1.096 -4.643 311 1HA GLY 38 HA2 GLY 38 -4.622 -0.609 -4.470 312 2HA GLY 38 HA1 GLY 38 -4.701 1.144 -4.572 313 H LYS 39 HN LYS 39 -6.730 -0.203 -5.694 314 HA LYS 39 HA LYS 39 -7.973 -0.149 -7.579 315 1HB LYS 39 HB2 LYS 39 -6.742 1.873 -8.234 316 2HB LYS 39 HB1 LYS 39 -5.496 0.875 -8.967 317 1HG LYS 39 HG2 LYS 39 -6.649 0.681 -10.844 318 2HG LYS 39 HG1 LYS 39 -8.090 0.155 -9.976 319 1HD LYS 39 HD2 LYS 39 -7.277 3.046 -10.120 320 2HD LYS 39 HD1 LYS 39 -8.284 2.291 -11.357 321 1HE LYS 39 HE2 LYS 39 -9.987 2.932 -10.040 322 2HE LYS 39 HE1 LYS 39 -9.558 1.508 -9.093 323 1HZ LYS 39 HZ1 LYS 39 -8.142 3.994 -8.499 324 2HZ LYS 39 HZ2 LYS 39 -8.638 2.757 -7.458 325 3HZ LYS 39 HZ3 LYS 39 -9.762 3.891 -8.017 326 H ILE 40 HN ILE 40 -5.664 -2.237 -6.863 327 HA ILE 40 HA ILE 40 -5.078 -3.664 -9.173 328 HB ILE 40 HB ILE 40 -4.511 -5.501 -7.842 329 1HG1 ILE 40 2HG1 ILE 40 -5.736 -4.613 -5.310 330 2HG1 ILE 40 1HG1 ILE 40 -6.889 -5.118 -6.534 331 1HG2 ILE 40 1HG2 ILE 40 -4.123 -3.366 -5.811 332 2HG2 ILE 40 2HG2 ILE 40 -3.443 -3.143 -7.422 333 3HG2 ILE 40 3HG2 ILE 40 -2.972 -4.540 -6.457 334 1HD1 ILE 40 1HD1 ILE 40 -6.092 -6.880 -4.909 335 2HD1 ILE 40 2HD1 ILE 40 -4.552 -6.823 -5.766 336 3HD1 ILE 40 3HD1 ILE 40 -6.022 -7.286 -6.623 337 H GLU 41 HN GLU 41 -7.935 -3.369 -7.359 338 HA GLU 41 HA GLU 41 -9.472 -5.542 -7.852 339 1HB GLU 41 HB2 GLU 41 -11.380 -3.794 -8.114 340 2HB GLU 41 HB1 GLU 41 -10.493 -3.873 -6.601 341 1HG GLU 41 HG2 GLU 41 -10.095 -1.704 -6.797 342 2HG GLU 41 HG1 GLU 41 -9.070 -2.053 -8.175 343 H MET 42 HN MET 42 -9.359 -2.704 -9.976 344 HA MET 42 HA MET 42 -10.555 -2.704 -12.100 345 1HB MET 42 HB2 MET 42 -7.714 -2.886 -11.855 346 2HB MET 42 HB1 MET 42 -8.197 -3.679 -13.348 347 1HG MET 42 HG2 MET 42 -8.846 -1.763 -14.324 348 2HG MET 42 HG1 MET 42 -9.447 -1.069 -12.820 349 1HE MET 42 HE1 MET 42 -8.002 1.030 -14.641 350 2HE MET 42 HE2 MET 42 -7.021 1.761 -13.370 351 3HE MET 42 HE3 MET 42 -8.661 1.218 -13.016 352 H GLY 43 HN GLY 43 -8.339 -5.435 -12.522 353 1HA GLY 43 HA2 GLY 43 -10.240 -7.486 -12.673 354 2HA GLY 43 HA1 GLY 43 -10.050 -6.805 -14.273 355 H GLU 44 HN GLU 44 -7.502 -7.010 -11.933 356 HA GLU 44 HA GLU 44 -5.919 -8.581 -13.800 357 1HB GLU 44 HB2 GLU 44 -5.354 -6.915 -11.404 358 2HB GLU 44 HB1 GLU 44 -4.231 -8.221 -11.756 359 1HG GLU 44 HG2 GLU 44 -3.432 -6.194 -12.751 360 2HG GLU 44 HG1 GLU 44 -3.926 -7.308 -14.024 361 H THR 45 HN THR 45 -4.272 -10.086 -12.352 362 HA THR 45 HA THR 45 -6.058 -12.111 -11.221 363 HB THR 45 HB THR 45 -3.285 -12.921 -11.462 364 HG1 THR 45 HG1 THR 45 -4.517 -12.052 -13.860 365 1HG2 THR 45 1HG2 THR 45 -4.573 -14.750 -11.606 366 2HG2 THR 45 2HG2 THR 45 -4.552 -14.364 -13.329 367 3HG2 THR 45 3HG2 THR 45 -5.925 -13.879 -12.332 368 HA PRO 46 HA PRO 46 -5.002 -11.687 -6.968 369 1HB PRO 46 HB2 PRO 46 -3.845 -14.257 -6.585 370 2HB PRO 46 HB1 PRO 46 -5.500 -13.763 -6.235 371 1HG PRO 46 HG2 PRO 46 -4.410 -15.167 -8.611 372 2HG PRO 46 HG1 PRO 46 -6.013 -15.293 -7.863 373 1HD PRO 46 HD2 PRO 46 -5.674 -13.985 -10.162 374 2HD PRO 46 HD1 PRO 46 -6.792 -13.372 -8.929 375 H GLU 47 HN GLU 47 -2.602 -12.847 -9.239 376 HA GLU 47 HA GLU 47 -0.450 -11.982 -7.441 377 1HB GLU 47 HB2 GLU 47 -0.630 -13.940 -9.669 378 2HB GLU 47 HB1 GLU 47 0.900 -13.101 -9.458 379 1HG GLU 47 HG2 GLU 47 0.348 -13.870 -6.910 380 2HG GLU 47 HG1 GLU 47 -0.342 -15.198 -7.842 381 H GLN 48 HN GLN 48 -1.728 -11.516 -10.718 382 HA GLN 48 HA GLN 48 0.274 -9.551 -11.378 383 1HB GLN 48 HB2 GLN 48 -2.174 -10.609 -12.761 384 2HB GLN 48 HB1 GLN 48 -1.330 -9.197 -13.382 385 1HG GLN 48 HG2 GLN 48 0.638 -10.432 -13.790 386 2HG GLN 48 HG1 GLN 48 0.056 -11.807 -12.854 387 1HE2 GLN 48 1HE2 GLN 48 -0.807 -9.844 -15.677 388 2HE2 GLN 48 2HE2 GLN 48 -1.405 -11.160 -16.624 389 H ALA 49 HN ALA 49 -2.426 -9.427 -9.446 390 HA ALA 49 HA ALA 49 -3.663 -7.019 -10.181 391 1HB ALA 49 HB1 ALA 49 -3.527 -7.499 -7.300 392 2HB ALA 49 HB2 ALA 49 -4.055 -8.900 -8.229 393 3HB ALA 49 HB3 ALA 49 -4.927 -7.374 -8.365 394 H VAL 50 HN VAL 50 -1.207 -7.599 -7.668 395 HA VAL 50 HA VAL 50 -0.707 -4.786 -7.352 396 HB VAL 50 HB VAL 50 0.767 -5.328 -5.621 397 1HG1 VAL 50 1HG1 VAL 50 -1.748 -6.393 -5.639 398 2HG1 VAL 50 2HG1 VAL 50 -0.689 -6.307 -4.231 399 3HG1 VAL 50 3HG1 VAL 50 -0.760 -7.785 -5.192 400 1HG2 VAL 50 1HG2 VAL 50 1.740 -7.585 -5.304 401 2HG2 VAL 50 2HG2 VAL 50 2.256 -6.813 -6.804 402 3HG2 VAL 50 3HG2 VAL 50 1.025 -8.076 -6.840 403 H VAL 51 HN VAL 51 1.086 -7.533 -8.715 404 HA VAL 51 HA VAL 51 3.445 -6.213 -9.356 405 HB VAL 51 HB VAL 51 2.182 -8.422 -10.987 406 1HG1 VAL 51 1HG1 VAL 51 4.845 -8.892 -10.990 407 2HG1 VAL 51 2HG1 VAL 51 4.823 -7.128 -10.944 408 3HG1 VAL 51 3HG1 VAL 51 3.998 -7.987 -12.244 409 1HG2 VAL 51 1HG2 VAL 51 2.711 -8.539 -8.297 410 2HG2 VAL 51 2HG2 VAL 51 4.192 -9.179 -9.008 411 3HG2 VAL 51 3HG2 VAL 51 2.638 -9.922 -9.389 412 H ARG 52 HN ARG 52 0.393 -6.363 -11.106 413 HA ARG 52 HA ARG 52 1.465 -5.017 -13.399 414 1HB ARG 52 HB2 ARG 52 -0.499 -6.603 -13.466 415 2HB ARG 52 HB1 ARG 52 -1.447 -5.351 -12.676 416 1HG ARG 52 HG2 ARG 52 -0.163 -4.190 -14.924 417 2HG ARG 52 HG1 ARG 52 -0.919 -5.700 -15.438 418 1HD ARG 52 HD2 ARG 52 -2.755 -4.414 -15.650 419 2HD ARG 52 HD1 ARG 52 -2.887 -4.660 -13.909 420 HE ARG 52 HE ARG 52 -2.367 -2.453 -13.587 421 1HH1 ARG 52 1HH1 ARG 52 -1.594 -3.332 -16.874 422 2HH1 ARG 52 2HH1 ARG 52 -1.274 -1.703 -17.366 423 1HH2 ARG 52 1HH2 ARG 52 -1.947 -0.310 -14.232 424 2HH2 ARG 52 2HH2 ARG 52 -1.474 0.012 -15.867 425 H GLU 53 HN GLU 53 -0.715 -4.138 -10.743 426 HA GLU 53 HA GLU 53 -0.970 -1.417 -11.473 427 1HB GLU 53 HB2 GLU 53 -1.415 -2.930 -8.910 428 2HB GLU 53 HB1 GLU 53 -1.600 -1.184 -8.979 429 1HG GLU 53 HG2 GLU 53 -3.104 -3.142 -10.698 430 2HG GLU 53 HG1 GLU 53 -3.720 -2.402 -9.222 431 H LEU 54 HN LEU 54 1.541 -3.208 -9.981 432 HA LEU 54 HA LEU 54 2.775 -1.316 -8.362 433 1HB LEU 54 HB2 LEU 54 3.428 -3.685 -8.465 434 2HB LEU 54 HB1 LEU 54 4.070 -3.438 -10.079 435 HG LEU 54 HG LEU 54 5.529 -1.619 -8.856 436 1HD1 LEU 54 1HD1 LEU 54 4.219 -2.240 -6.696 437 2HD1 LEU 54 2HD1 LEU 54 5.952 -1.925 -6.622 438 3HD1 LEU 54 3HD1 LEU 54 5.358 -3.586 -6.628 439 1HD2 LEU 54 1HD2 LEU 54 5.999 -4.076 -9.895 440 2HD2 LEU 54 2HD2 LEU 54 6.546 -4.295 -8.232 441 3HD2 LEU 54 3HD2 LEU 54 7.240 -3.015 -9.230 442 H GLN 55 HN GLN 55 3.127 -1.905 -11.838 443 HA GLN 55 HA GLN 55 5.083 0.124 -12.240 444 1HB GLN 55 HB2 GLN 55 3.674 -1.825 -13.837 445 2HB GLN 55 HB1 GLN 55 3.677 -0.268 -14.653 446 1HG GLN 55 HG2 GLN 55 5.693 -0.795 -15.403 447 2HG GLN 55 HG1 GLN 55 6.275 -0.541 -13.758 448 1HE2 GLN 55 1HE2 GLN 55 6.579 -2.340 -12.407 449 2HE2 GLN 55 2HE2 GLN 55 6.762 -3.933 -13.052 450 H GLU 56 HN GLU 56 1.605 0.010 -12.207 451 HA GLU 56 HA GLU 56 1.205 2.602 -13.365 452 1HB GLU 56 HB2 GLU 56 -0.408 0.556 -13.235 453 2HB GLU 56 HB1 GLU 56 -0.821 1.206 -11.660 454 1HG GLU 56 HG2 GLU 56 -1.011 3.420 -13.226 455 2HG GLU 56 HG1 GLU 56 -1.531 2.150 -14.334 456 H GLU 57 HN GLU 57 1.570 1.315 -10.121 457 HA GLU 57 HA GLU 57 0.990 3.981 -9.057 458 1HB GLU 57 HB2 GLU 57 0.570 1.260 -8.028 459 2HB GLU 57 HB1 GLU 57 1.117 2.438 -6.840 460 1HG GLU 57 HG2 GLU 57 -1.178 2.612 -6.691 461 2HG GLU 57 HG1 GLU 57 -0.767 3.923 -7.793 462 H VAL 58 HN VAL 58 3.609 2.442 -10.073 463 HA VAL 58 HA VAL 58 5.307 3.738 -8.066 464 HB VAL 58 HB VAL 58 6.018 1.061 -9.265 465 1HG1 VAL 58 1HG1 VAL 58 7.509 3.030 -7.902 466 2HG1 VAL 58 2HG1 VAL 58 8.020 1.414 -8.387 467 3HG1 VAL 58 3HG1 VAL 58 7.311 1.672 -6.794 468 1HG2 VAL 58 1HG2 VAL 58 3.993 1.035 -7.718 469 2HG2 VAL 58 2HG2 VAL 58 5.110 1.490 -6.432 470 3HG2 VAL 58 3HG2 VAL 58 5.334 -0.031 -7.295 471 H GLY 59 HN GLY 59 5.064 2.270 -11.268 472 1HA GLY 59 HA2 GLY 59 5.868 2.948 -13.286 473 2HA GLY 59 HA1 GLY 59 6.220 4.493 -12.564 474 H ILE 60 HN ILE 60 8.062 3.526 -10.637 475 HA ILE 60 HA ILE 60 10.394 3.379 -12.288 476 HB ILE 60 HB ILE 60 10.116 4.601 -10.002 477 1HG1 ILE 60 2HG1 ILE 60 12.393 4.820 -9.839 478 2HG1 ILE 60 1HG1 ILE 60 12.685 3.097 -10.022 479 1HG2 ILE 60 1HG2 ILE 60 9.636 2.110 -9.058 480 2HG2 ILE 60 2HG2 ILE 60 10.162 3.476 -8.076 481 3HG2 ILE 60 3HG2 ILE 60 11.343 2.309 -8.668 482 1HD1 ILE 60 1HD1 ILE 60 12.347 3.250 -12.398 483 2HD1 ILE 60 2HD1 ILE 60 13.535 4.451 -11.895 484 3HD1 ILE 60 3HD1 ILE 60 11.881 4.944 -12.256 485 H THR 61 HN THR 61 12.189 1.758 -11.239 486 HA THR 61 HA THR 61 11.009 -0.909 -11.467 487 HB THR 61 HB THR 61 13.592 -1.322 -11.921 488 HG1 THR 61 HG1 THR 61 14.436 0.477 -13.063 489 1HG2 THR 61 1HG2 THR 61 11.820 -0.072 -14.001 490 2HG2 THR 61 2HG2 THR 61 11.809 -1.779 -13.548 491 3HG2 THR 61 3HG2 THR 61 13.242 -1.076 -14.300 492 HA PRO 62 HA PRO 62 12.762 -0.984 -7.252 493 1HB PRO 62 HB2 PRO 62 10.539 -1.145 -5.868 494 2HB PRO 62 HB1 PRO 62 10.850 0.335 -6.784 495 1HG PRO 62 HG2 PRO 62 8.996 -1.918 -7.394 496 2HG PRO 62 HG1 PRO 62 8.803 -0.187 -7.713 497 1HD PRO 62 HD2 PRO 62 9.783 -2.197 -9.505 498 2HD PRO 62 HD1 PRO 62 9.664 -0.453 -9.787 499 H GLN 63 HN GLN 63 13.352 -2.756 -6.012 500 HA GLN 63 HA GLN 63 12.448 -5.363 -6.876 501 1HB GLN 63 HB2 GLN 63 13.994 -4.812 -4.344 502 2HB GLN 63 HB1 GLN 63 14.007 -6.267 -5.332 503 1HG GLN 63 HG2 GLN 63 15.140 -5.028 -7.116 504 2HG GLN 63 HG1 GLN 63 15.160 -3.600 -6.089 505 1HE2 GLN 63 1HE2 GLN 63 15.710 -5.162 -3.661 506 2HE2 GLN 63 2HE2 GLN 63 17.366 -5.629 -3.765 507 H HIS 64 HN HIS 64 10.284 -4.899 -6.589 508 HA HIS 64 HA HIS 64 9.290 -5.000 -3.818 509 1HB HIS 64 HB2 HIS 64 8.855 -2.844 -4.840 510 2HB HIS 64 HB1 HIS 64 8.247 -3.611 -6.278 511 HD1 HIS 64 HD1 HIS 64 6.238 -5.598 -4.779 512 HD2 HIS 64 HD2 HIS 64 6.567 -1.499 -4.183 513 HE1 HIS 64 HE1 HIS 64 4.027 -4.878 -3.841 514 HE2 HIS 64 HE2 HIS 64 4.273 -2.409 -3.416 515 H PHE 65 HN PHE 65 8.236 -6.841 -3.358 516 HA PHE 65 HA PHE 65 6.300 -8.004 -5.036 517 1HB PHE 65 HB2 PHE 65 8.471 -8.450 -6.285 518 2HB PHE 65 HB1 PHE 65 8.873 -9.537 -4.973 519 HD1 PHE 65 HD1 PHE 65 8.811 -11.668 -5.923 520 HD2 PHE 65 HD2 PHE 65 5.610 -8.958 -6.645 521 HE1 PHE 65 HE1 PHE 65 7.557 -13.456 -7.058 522 HE2 PHE 65 HE2 PHE 65 4.350 -10.741 -7.778 523 HZ PHE 65 HZ PHE 65 5.323 -12.991 -7.988 524 H SER 66 HN SER 66 5.506 -10.077 -4.251 525 HA SER 66 HA SER 66 4.992 -11.648 -2.682 526 1HB SER 66 HB2 SER 66 7.493 -11.838 -2.352 527 2HB SER 66 HB1 SER 66 7.336 -10.679 -1.036 528 HG SER 66 HG SER 66 6.120 -12.123 0.097 529 H LEU 67 HN LEU 67 4.208 -11.773 -0.358 530 HA LEU 67 HA LEU 67 3.285 -9.111 0.492 531 1HB LEU 67 HB2 LEU 67 1.179 -10.009 1.086 532 2HB LEU 67 HB1 LEU 67 1.541 -10.575 -0.534 533 HG LEU 67 HG LEU 67 2.515 -12.629 0.988 534 1HD1 LEU 67 1HD1 LEU 67 0.246 -12.936 2.412 535 2HD1 LEU 67 2HD1 LEU 67 0.476 -11.193 2.549 536 3HD1 LEU 67 3HD1 LEU 67 1.748 -12.294 3.077 537 1HD2 LEU 67 1HD2 LEU 67 1.265 -13.246 -0.830 538 2HD2 LEU 67 2HD2 LEU 67 -0.039 -12.118 -0.456 539 3HD2 LEU 67 3HD2 LEU 67 0.131 -13.610 0.471 540 H PHE 68 HN PHE 68 3.659 -8.501 2.539 541 HA PHE 68 HA PHE 68 5.105 -10.296 4.255 542 1HB PHE 68 HB2 PHE 68 5.460 -8.450 5.706 543 2HB PHE 68 HB1 PHE 68 5.598 -7.830 4.070 544 HD1 PHE 68 HD1 PHE 68 3.203 -8.137 6.886 545 HD2 PHE 68 HD2 PHE 68 4.387 -5.961 3.433 546 HE1 PHE 68 HE1 PHE 68 1.576 -6.383 7.443 547 HE2 PHE 68 HE2 PHE 68 2.763 -4.197 3.984 548 HZ PHE 68 HZ PHE 68 1.363 -4.401 6.001 549 H GLU 69 HN GLU 69 1.919 -8.810 4.171 550 HA GLU 69 HA GLU 69 0.659 -10.956 5.484 551 1HB GLU 69 HB2 GLU 69 1.545 -8.727 7.198 552 2HB GLU 69 HB1 GLU 69 -0.150 -9.141 7.361 553 1HG GLU 69 HG2 GLU 69 0.282 -11.127 8.323 554 2HG GLU 69 HG1 GLU 69 1.753 -11.391 7.392 555 H LYS 70 HN LYS 70 -1.440 -10.946 4.859 556 HA LYS 70 HA LYS 70 -2.653 -8.380 4.120 557 1HB LYS 70 HB2 LYS 70 -3.535 -9.411 2.028 558 2HB LYS 70 HB1 LYS 70 -1.787 -9.227 2.042 559 1HG LYS 70 HG2 LYS 70 -1.485 -11.562 2.492 560 2HG LYS 70 HG1 LYS 70 -3.225 -11.789 2.691 561 1HD LYS 70 HD2 LYS 70 -3.458 -10.976 0.299 562 2HD LYS 70 HD1 LYS 70 -1.706 -11.145 0.173 563 1HE LYS 70 HE2 LYS 70 -1.886 -13.509 0.748 564 2HE LYS 70 HE1 LYS 70 -3.635 -13.345 0.908 565 1HZ LYS 70 HZ1 LYS 70 -3.902 -13.091 -1.359 566 2HZ LYS 70 HZ2 LYS 70 -2.667 -14.243 -1.278 567 3HZ LYS 70 HZ3 LYS 70 -2.295 -12.629 -1.619 568 H LEU 71 HN LEU 71 -4.747 -8.202 4.701 569 HA LEU 71 HA LEU 71 -6.179 -10.658 5.464 570 1HB LEU 71 HB2 LEU 71 -7.081 -9.674 7.382 571 2HB LEU 71 HB1 LEU 71 -5.390 -9.222 7.403 572 HG LEU 71 HG LEU 71 -6.582 -7.313 8.096 573 1HD1 LEU 71 1HD1 LEU 71 -5.889 -5.686 6.602 574 2HD1 LEU 71 2HD1 LEU 71 -6.202 -6.699 5.194 575 3HD1 LEU 71 3HD1 LEU 71 -4.831 -7.049 6.247 576 1HD2 LEU 71 1HD2 LEU 71 -8.673 -8.335 6.558 577 2HD2 LEU 71 2HD2 LEU 71 -8.278 -6.776 5.833 578 3HD2 LEU 71 3HD2 LEU 71 -8.685 -6.874 7.546 579 H GLU 72 HN GLU 72 -8.448 -10.666 5.178 580 HA GLU 72 HA GLU 72 -9.435 -8.601 3.331 581 1HB GLU 72 HB2 GLU 72 -9.224 -10.478 1.965 582 2HB GLU 72 HB1 GLU 72 -9.674 -11.589 3.250 583 1HG GLU 72 HG2 GLU 72 -11.960 -11.040 3.055 584 2HG GLU 72 HG1 GLU 72 -11.612 -9.647 2.031 585 H TYR 73 HN TYR 73 -11.343 -7.675 3.799 586 HA TYR 73 HA TYR 73 -13.112 -8.929 5.764 587 1HB TYR 73 HB2 TYR 73 -13.331 -6.860 7.042 588 2HB TYR 73 HB1 TYR 73 -11.654 -7.396 7.034 589 HD1 TYR 73 HD1 TYR 73 -13.675 -4.601 6.777 590 HD2 TYR 73 HD2 TYR 73 -10.280 -6.378 4.929 591 HE1 TYR 73 HE1 TYR 73 -12.982 -2.395 5.944 592 HE2 TYR 73 HE2 TYR 73 -9.576 -4.176 4.092 593 HH TYR 73 HH TYR 73 -10.456 -1.412 5.216 594 H GLU 74 HN GLU 74 -15.285 -8.365 5.551 595 HA GLU 74 HA GLU 74 -15.912 -6.689 3.211 596 1HB GLU 74 HB2 GLU 74 -17.995 -8.176 3.026 597 2HB GLU 74 HB1 GLU 74 -16.460 -8.844 2.491 598 1HG GLU 74 HG2 GLU 74 -16.343 -9.788 4.912 599 2HG GLU 74 HG1 GLU 74 -18.084 -9.513 4.899 600 H PHE 75 HN PHE 75 -17.166 -5.020 3.559 601 HA PHE 75 HA PHE 75 -18.359 -4.608 6.157 602 1HB PHE 75 HB2 PHE 75 -17.575 -2.950 3.849 603 2HB PHE 75 HB1 PHE 75 -19.026 -2.419 4.677 604 HD1 PHE 75 HD1 PHE 75 -16.078 -1.254 4.407 605 HD2 PHE 75 HD2 PHE 75 -18.262 -3.223 7.485 606 HE1 PHE 75 HE1 PHE 75 -14.678 -0.152 6.103 607 HE2 PHE 75 HE2 PHE 75 -16.866 -2.123 9.184 608 HZ PHE 75 HZ PHE 75 -15.071 -0.585 8.494 609 HA PRO 76 HA PRO 76 -22.586 -5.507 5.326 610 1HB PRO 76 HB2 PRO 76 -23.825 -3.049 5.787 611 2HB PRO 76 HB1 PRO 76 -23.465 -4.269 7.010 612 1HG PRO 76 HG2 PRO 76 -21.960 -1.799 6.295 613 2HG PRO 76 HG1 PRO 76 -22.207 -2.545 7.884 614 1HD PRO 76 HD2 PRO 76 -19.881 -2.770 6.569 615 2HD PRO 76 HD1 PRO 76 -20.520 -4.103 7.552 616 H ASP 77 HN ASP 77 -22.032 -5.746 3.071 617 HA ASP 77 HA ASP 77 -22.981 -5.582 0.957 618 1HB ASP 77 HB2 ASP 77 -24.608 -3.830 2.108 619 2HB ASP 77 HB1 ASP 77 -23.608 -2.678 1.228 620 H ARG 78 HN ARG 78 -20.345 -4.405 2.253 621 HA ARG 78 HA ARG 78 -19.309 -3.463 -0.322 622 1HB ARG 78 HB2 ARG 78 -19.800 -1.527 1.239 623 2HB ARG 78 HB1 ARG 78 -18.547 -2.165 2.293 624 1HG ARG 78 HG2 ARG 78 -16.912 -1.917 0.478 625 2HG ARG 78 HG1 ARG 78 -18.176 -1.230 -0.545 626 1HD ARG 78 HD2 ARG 78 -18.120 0.762 0.505 627 2HD ARG 78 HD1 ARG 78 -17.881 0.033 2.092 628 HE ARG 78 HE ARG 78 -15.609 0.237 1.821 629 1HH1 ARG 78 1HH1 ARG 78 -17.193 0.850 -1.229 630 2HH1 ARG 78 2HH1 ARG 78 -15.759 1.443 -1.996 631 1HH2 ARG 78 1HH2 ARG 78 -13.723 1.017 0.812 632 2HH2 ARG 78 2HH2 ARG 78 -13.789 1.536 -0.839 633 H HIS 79 HN HIS 79 -18.233 -5.389 -0.687 634 HA HIS 79 HA HIS 79 -16.521 -6.525 1.340 635 1HB HIS 79 HB2 HIS 79 -16.980 -7.260 -1.556 636 2HB HIS 79 HB1 HIS 79 -15.935 -8.161 -0.462 637 HD1 HIS 79 HD1 HIS 79 -18.878 -6.986 1.294 638 HD2 HIS 79 HD2 HIS 79 -17.918 -10.246 -1.099 639 HE1 HIS 79 HE1 HIS 79 -20.665 -8.698 1.741 640 HE2 HIS 79 HE2 HIS 79 -20.112 -10.626 0.218 641 H ILE 80 HN ILE 80 -14.761 -5.316 1.798 642 HA ILE 80 HA ILE 80 -13.155 -4.310 -0.436 643 HB ILE 80 HB ILE 80 -13.701 -2.518 1.002 644 1HG1 ILE 80 2HG1 ILE 80 -11.054 -3.176 2.191 645 2HG1 ILE 80 1HG1 ILE 80 -11.165 -3.066 0.439 646 1HG2 ILE 80 1HG2 ILE 80 -14.530 -3.683 2.912 647 2HG2 ILE 80 2HG2 ILE 80 -13.247 -2.602 3.455 648 3HG2 ILE 80 3HG2 ILE 80 -12.930 -4.327 3.281 649 1HD1 ILE 80 1HD1 ILE 80 -12.000 -0.795 0.616 650 2HD1 ILE 80 2HD1 ILE 80 -10.452 -0.962 1.445 651 3HD1 ILE 80 3HD1 ILE 80 -11.949 -0.903 2.376 652 H THR 81 HN THR 81 -11.565 -5.649 -0.998 653 HA THR 81 HA THR 81 -10.343 -7.399 0.992 654 HB THR 81 HB THR 81 -9.079 -7.809 -1.465 655 HG1 THR 81 HG1 THR 81 -10.441 -7.375 -2.977 656 1HG2 THR 81 1HG2 THR 81 -10.542 -9.321 0.324 657 2HG2 THR 81 2HG2 THR 81 -9.717 -9.899 -1.123 658 3HG2 THR 81 3HG2 THR 81 -11.425 -9.463 -1.196 659 H LEU 82 HN LEU 82 -8.571 -6.733 2.051 660 HA LEU 82 HA LEU 82 -6.907 -4.671 0.770 661 1HB LEU 82 HB2 LEU 82 -7.951 -4.088 2.937 662 2HB LEU 82 HB1 LEU 82 -7.082 -5.413 3.687 663 HG LEU 82 HG LEU 82 -4.955 -4.216 2.814 664 1HD1 LEU 82 1HD1 LEU 82 -6.914 -1.927 2.799 665 2HD1 LEU 82 2HD1 LEU 82 -6.149 -2.632 1.375 666 3HD1 LEU 82 3HD1 LEU 82 -5.168 -1.814 2.588 667 1HD2 LEU 82 1HD2 LEU 82 -5.555 -4.445 5.170 668 2HD2 LEU 82 2HD2 LEU 82 -6.598 -3.028 5.048 669 3HD2 LEU 82 3HD2 LEU 82 -4.854 -2.862 4.840 670 H TRP 83 HN TRP 83 -5.127 -5.416 -0.145 671 HA TRP 83 HA TRP 83 -3.752 -7.696 1.109 672 1HB TRP 83 HB2 TRP 83 -3.689 -6.768 -1.771 673 2HB TRP 83 HB1 TRP 83 -2.718 -8.083 -1.119 674 HD1 TRP 83 HD1 TRP 83 -6.428 -7.580 -0.292 675 HE1 TRP 83 HE1 TRP 83 -7.745 -9.599 -1.168 676 HE3 TRP 83 HE3 TRP 83 -2.660 -9.977 -2.765 677 HZ2 TRP 83 HZ2 TRP 83 -7.253 -11.918 -2.709 678 HZ3 TRP 83 HZ3 TRP 83 -3.164 -12.093 -3.915 679 HH2 TRP 83 HH2 TRP 83 -5.413 -13.043 -3.886 680 H PHE 84 HN PHE 84 -1.915 -7.263 2.069 681 HA PHE 84 HA PHE 84 -0.468 -4.818 1.305 682 1HB PHE 84 HB2 PHE 84 -0.842 -6.185 3.933 683 2HB PHE 84 HB1 PHE 84 0.624 -5.256 3.665 684 HD1 PHE 84 HD1 PHE 84 -0.374 -3.999 5.717 685 HD2 PHE 84 HD2 PHE 84 -2.103 -3.924 1.822 686 HE1 PHE 84 HE1 PHE 84 -1.595 -1.951 6.296 687 HE2 PHE 84 HE2 PHE 84 -3.317 -1.873 2.402 688 HZ PHE 84 HZ PHE 84 -3.072 -0.887 4.642 689 H TRP 85 HN TRP 85 1.132 -5.272 -0.028 690 HA TRP 85 HA TRP 85 2.496 -7.833 0.162 691 1HB TRP 85 HB2 TRP 85 2.441 -5.697 -1.955 692 2HB TRP 85 HB1 TRP 85 3.536 -7.075 -2.029 693 HD1 TRP 85 HD1 TRP 85 -0.293 -6.563 -1.579 694 HE1 TRP 85 HE1 TRP 85 -1.495 -8.389 -2.934 695 HE3 TRP 85 HE3 TRP 85 3.790 -9.075 -3.359 696 HZ2 TRP 85 HZ2 TRP 85 -0.805 -10.603 -4.544 697 HZ3 TRP 85 HZ3 TRP 85 3.432 -11.037 -4.799 698 HH2 TRP 85 HH2 TRP 85 1.181 -11.784 -5.378 699 H LEU 86 HN LEU 86 4.726 -8.083 0.273 700 HA LEU 86 HA LEU 86 6.093 -5.997 1.743 701 1HB LEU 86 HB2 LEU 86 7.638 -7.618 2.385 702 2HB LEU 86 HB1 LEU 86 6.110 -8.472 2.340 703 HG LEU 86 HG LEU 86 6.926 -9.055 -0.122 704 1HD1 LEU 86 1HD1 LEU 86 9.143 -8.970 -0.524 705 2HD1 LEU 86 2HD1 LEU 86 9.572 -9.261 1.162 706 3HD1 LEU 86 3HD1 LEU 86 9.084 -7.648 0.642 707 1HD2 LEU 86 1HD2 LEU 86 7.901 -11.141 0.826 708 2HD2 LEU 86 2HD2 LEU 86 6.329 -10.715 1.501 709 3HD2 LEU 86 3HD2 LEU 86 7.799 -10.408 2.426 710 H VAL 87 HN VAL 87 7.816 -4.846 1.014 711 HA VAL 87 HA VAL 87 8.692 -5.292 -1.773 712 HB VAL 87 HB VAL 87 8.572 -2.636 -0.402 713 1HG1 VAL 87 1HG1 VAL 87 8.412 -2.313 -3.153 714 2HG1 VAL 87 2HG1 VAL 87 9.614 -3.580 -2.920 715 3HG1 VAL 87 3HG1 VAL 87 9.818 -2.020 -2.137 716 1HG2 VAL 87 1HG2 VAL 87 6.566 -3.954 -2.233 717 2HG2 VAL 87 2HG2 VAL 87 6.547 -2.233 -1.821 718 3HG2 VAL 87 3HG2 VAL 87 6.309 -3.445 -0.562 719 H GLU 88 HN GLU 88 10.885 -4.993 -2.232 720 HA GLU 88 HA GLU 88 12.485 -4.794 0.212 721 1HB GLU 88 HB2 GLU 88 13.628 -5.907 -2.312 722 2HB GLU 88 HB1 GLU 88 14.034 -6.282 -0.644 723 1HG GLU 88 HG2 GLU 88 11.797 -7.389 -0.443 724 2HG GLU 88 HG1 GLU 88 11.610 -7.169 -2.183 725 H ARG 89 HN ARG 89 12.219 -3.316 -3.017 726 HA ARG 89 HA ARG 89 13.877 -1.163 -2.095 727 1HB ARG 89 HB2 ARG 89 15.831 -2.124 -2.648 728 2HB ARG 89 HB1 ARG 89 15.061 -3.342 -3.643 729 1HG ARG 89 HG2 ARG 89 16.306 -2.266 -5.211 730 2HG ARG 89 HG1 ARG 89 14.817 -1.335 -5.337 731 1HD ARG 89 HD2 ARG 89 15.894 0.526 -4.770 732 2HD ARG 89 HD1 ARG 89 16.467 -0.220 -3.279 733 HE ARG 89 HE ARG 89 17.930 0.108 -5.747 734 1HH1 ARG 89 1HH1 ARG 89 17.732 -1.601 -2.708 735 2HH1 ARG 89 2HH1 ARG 89 19.410 -2.026 -2.697 736 1HH2 ARG 89 1HH2 ARG 89 20.136 -0.452 -5.732 737 2HH2 ARG 89 2HH2 ARG 89 20.774 -1.374 -4.412 738 H TRP 90 HN TRP 90 14.220 0.525 -3.783 739 HA TRP 90 HA TRP 90 12.585 0.385 -6.130 740 1HB TRP 90 HB2 TRP 90 10.940 1.933 -5.635 741 2HB TRP 90 HB1 TRP 90 11.078 1.043 -4.128 742 HD1 TRP 90 HD1 TRP 90 12.500 4.331 -5.639 743 HE1 TRP 90 HE1 TRP 90 12.615 6.070 -3.747 744 HE3 TRP 90 HE3 TRP 90 10.933 1.405 -1.750 745 HZ2 TRP 90 HZ2 TRP 90 12.109 6.189 -0.978 746 HZ3 TRP 90 HZ3 TRP 90 10.771 2.420 0.488 747 HH2 TRP 90 HH2 TRP 90 11.346 4.759 0.865 748 H GLU 91 HN GLU 91 13.432 1.533 -7.745 749 HA GLU 91 HA GLU 91 15.887 2.897 -7.345 750 1HB GLU 91 HB2 GLU 91 14.290 2.000 -9.571 751 2HB GLU 91 HB1 GLU 91 14.868 3.635 -9.866 752 1HG GLU 91 HG2 GLU 91 17.168 2.725 -9.175 753 2HG GLU 91 HG1 GLU 91 16.448 1.135 -9.424 754 H GLY 92 HN GLY 92 16.344 5.001 -7.058 755 1HA GLY 92 HA2 GLY 92 15.961 7.202 -6.492 756 2HA GLY 92 HA1 GLY 92 14.966 7.210 -7.937 757 H GLU 93 HN GLU 93 12.849 7.458 -7.738 758 HA GLU 93 HA GLU 93 11.615 7.075 -5.107 759 1HB GLU 93 HB2 GLU 93 12.101 9.462 -5.346 760 2HB GLU 93 HB1 GLU 93 11.242 9.494 -6.879 761 1HG GLU 93 HG2 GLU 93 9.159 9.158 -5.838 762 2HG GLU 93 HG1 GLU 93 9.911 8.698 -4.311 763 HA PRO 94 HA PRO 94 8.581 4.984 -7.612 764 1HB PRO 94 HB2 PRO 94 6.745 5.074 -5.357 765 2HB PRO 94 HB1 PRO 94 7.608 3.687 -6.021 766 1HG PRO 94 HG2 PRO 94 8.163 4.746 -3.581 767 2HG PRO 94 HG1 PRO 94 9.375 3.930 -4.585 768 1HD PRO 94 HD2 PRO 94 8.891 6.864 -4.210 769 2HD PRO 94 HD1 PRO 94 10.425 5.976 -4.288 770 H TRP 95 HN TRP 95 7.188 5.860 -9.044 771 HA TRP 95 HA TRP 95 5.684 8.225 -8.156 772 1HB TRP 95 HB2 TRP 95 5.682 8.804 -10.666 773 2HB TRP 95 HB1 TRP 95 7.168 9.049 -9.758 774 HD1 TRP 95 HD1 TRP 95 9.175 7.310 -10.238 775 HE1 TRP 95 HE1 TRP 95 9.760 5.932 -12.337 776 HE3 TRP 95 HE3 TRP 95 4.628 7.421 -12.544 777 HZ2 TRP 95 HZ2 TRP 95 8.454 5.034 -14.669 778 HZ3 TRP 95 HZ3 TRP 95 4.375 6.286 -14.711 779 HH2 TRP 95 HH2 TRP 95 6.247 5.107 -15.745 780 H GLY 96 HN GLY 96 5.542 5.874 -10.814 781 1HA GLY 96 HA2 GLY 96 3.712 4.973 -11.903 782 2HA GLY 96 HA1 GLY 96 3.210 4.580 -10.273 783 H LYS 97 HN LYS 97 1.518 5.630 -9.361 784 HA LYS 97 HA LYS 97 0.459 8.070 -9.706 785 1HB LYS 97 HB2 LYS 97 0.048 6.515 -12.143 786 2HB LYS 97 HB1 LYS 97 -1.461 7.113 -11.470 787 1HG LYS 97 HG2 LYS 97 0.905 8.900 -11.922 788 2HG LYS 97 HG1 LYS 97 -0.297 8.581 -13.173 789 1HD LYS 97 HD2 LYS 97 -1.006 9.606 -10.432 790 2HD LYS 97 HD1 LYS 97 -0.662 10.669 -11.798 791 1HE LYS 97 HE2 LYS 97 -2.589 8.551 -12.396 792 2HE LYS 97 HE1 LYS 97 -3.124 9.666 -11.140 793 1HZ LYS 97 HZ1 LYS 97 -2.915 11.487 -12.596 794 2HZ LYS 97 HZ2 LYS 97 -3.709 10.288 -13.486 795 3HZ LYS 97 HZ3 LYS 97 -2.065 10.585 -13.749 796 H GLU 98 HN GLU 98 0.122 7.085 -7.543 797 HA GLU 98 HA GLU 98 -2.120 5.239 -7.313 798 1HB GLU 98 HB2 GLU 98 -1.567 5.051 -5.019 799 2HB GLU 98 HB1 GLU 98 -0.038 5.092 -5.882 800 1HG GLU 98 HG2 GLU 98 0.567 6.638 -4.412 801 2HG GLU 98 HG1 GLU 98 -0.473 7.736 -5.315 802 H GLY 99 HN GLY 99 -1.391 8.639 -6.791 803 1HA GLY 99 HA2 GLY 99 -3.648 9.868 -7.210 804 2HA GLY 99 HA1 GLY 99 -4.089 9.062 -5.715 805 H GLN 100 HN GLN 100 -1.569 9.358 -4.383 806 HA GLN 100 HA GLN 100 -1.226 12.266 -4.226 807 1HB GLN 100 HB2 GLN 100 -1.678 10.582 -1.766 808 2HB GLN 100 HB1 GLN 100 -1.550 12.334 -1.860 809 1HG GLN 100 HG2 GLN 100 -3.785 12.243 -1.782 810 2HG GLN 100 HG1 GLN 100 -3.634 11.925 -3.510 811 1HE2 GLN 100 1HE2 GLN 100 -3.228 9.980 -0.567 812 2HE2 GLN 100 2HE2 GLN 100 -4.282 8.703 -1.061 813 HA PRO 101 HA PRO 101 3.056 10.914 -4.514 814 1HB PRO 101 HB2 PRO 101 3.158 13.726 -3.477 815 2HB PRO 101 HB1 PRO 101 4.177 12.954 -4.699 816 1HG PRO 101 HG2 PRO 101 2.223 14.549 -5.457 817 2HG PRO 101 HG1 PRO 101 2.483 13.016 -6.311 818 1HD PRO 101 HD2 PRO 101 0.367 13.758 -4.351 819 2HD PRO 101 HD1 PRO 101 0.280 12.670 -5.750 820 H GLY 102 HN GLY 102 4.577 10.250 -3.021 821 1HA GLY 102 HA2 GLY 102 4.003 10.869 -0.189 822 2HA GLY 102 HA1 GLY 102 4.388 9.241 -0.720 823 H GLU 103 HN GLU 103 5.908 10.019 1.219 824 HA GLU 103 HA GLU 103 8.461 10.753 -0.050 825 1HB GLU 103 HB2 GLU 103 7.328 12.528 1.490 826 2HB GLU 103 HB1 GLU 103 7.863 11.485 2.800 827 1HG GLU 103 HG2 GLU 103 9.419 13.331 2.333 828 2HG GLU 103 HG1 GLU 103 10.157 11.741 2.143 829 H TRP 104 HN TRP 104 10.365 9.872 1.033 830 HA TRP 104 HA TRP 104 9.886 7.174 1.912 831 1HB TRP 104 HB2 TRP 104 12.625 8.299 2.152 832 2HB TRP 104 HB1 TRP 104 12.094 6.772 1.458 833 HD1 TRP 104 HD1 TRP 104 10.141 7.979 -0.786 834 HE1 TRP 104 HE1 TRP 104 11.174 9.143 -2.837 835 HE3 TRP 104 HE3 TRP 104 14.742 9.100 1.145 836 HZ2 TRP 104 HZ2 TRP 104 13.614 10.373 -3.543 837 HZ3 TRP 104 HZ3 TRP 104 16.366 10.271 -0.284 838 HH2 TRP 104 HH2 TRP 104 15.813 10.893 -2.580 839 H MET 105 HN MET 105 9.164 6.869 3.914 840 HA MET 105 HA MET 105 10.526 8.281 6.113 841 1HB MET 105 HB2 MET 105 8.323 7.797 7.374 842 2HB MET 105 HB1 MET 105 8.354 9.117 6.214 843 1HG MET 105 HG2 MET 105 7.391 7.527 4.531 844 2HG MET 105 HG1 MET 105 7.174 6.378 5.850 845 1HE MET 105 HE1 MET 105 6.266 10.510 5.904 846 2HE MET 105 HE2 MET 105 4.883 10.145 4.873 847 3HE MET 105 HE3 MET 105 6.509 9.694 4.360 848 H SER 106 HN SER 106 10.516 7.075 8.194 849 HA SER 106 HA SER 106 11.456 4.404 7.760 850 1HB SER 106 HB2 SER 106 11.905 4.387 10.166 851 2HB SER 106 HB1 SER 106 12.474 5.895 9.448 852 HG SER 106 HG SER 106 10.952 5.723 11.496 853 H LEU 107 HN LEU 107 10.161 2.710 7.531 854 HA LEU 107 HA LEU 107 7.427 2.761 8.426 855 1HB LEU 107 HB2 LEU 107 8.841 1.418 6.450 856 2HB LEU 107 HB1 LEU 107 8.410 0.158 7.588 857 HG LEU 107 HG LEU 107 6.779 0.474 5.722 858 1HD1 LEU 107 1HD1 LEU 107 5.222 1.160 8.121 859 2HD1 LEU 107 2HD1 LEU 107 6.334 -0.198 8.294 860 3HD1 LEU 107 3HD1 LEU 107 5.096 -0.227 7.039 861 1HD2 LEU 107 1HD2 LEU 107 5.615 2.395 5.377 862 2HD2 LEU 107 2HD2 LEU 107 7.095 3.096 6.031 863 3HD2 LEU 107 3HD2 LEU 107 5.689 2.877 7.073 864 H VAL 108 HN VAL 108 10.412 1.721 9.745 865 HA VAL 108 HA VAL 108 9.703 -0.435 11.332 866 HB VAL 108 HB VAL 108 11.577 1.779 12.170 867 1HG1 VAL 108 1HG1 VAL 108 11.576 0.481 14.019 868 2HG1 VAL 108 2HG1 VAL 108 12.686 -0.501 13.064 869 3HG1 VAL 108 3HG1 VAL 108 10.980 -0.937 13.156 870 1HG2 VAL 108 1HG2 VAL 108 13.043 1.169 10.607 871 2HG2 VAL 108 2HG2 VAL 108 11.741 0.254 9.849 872 3HG2 VAL 108 3HG2 VAL 108 12.833 -0.541 10.981 873 H GLY 109 HN GLY 109 8.653 2.824 11.566 874 1HA GLY 109 HA2 GLY 109 7.214 2.156 14.025 875 2HA GLY 109 HA1 GLY 109 8.199 3.610 14.009 876 H LEU 110 HN LEU 110 5.911 2.095 11.743 877 HA LEU 110 HA LEU 110 4.919 4.523 10.729 878 1HB LEU 110 HB2 LEU 110 4.629 2.521 9.459 879 2HB LEU 110 HB1 LEU 110 3.770 1.738 10.771 880 HG LEU 110 HG LEU 110 2.576 4.211 9.628 881 1HD1 LEU 110 1HD1 LEU 110 2.547 1.532 8.251 882 2HD1 LEU 110 2HD1 LEU 110 3.204 3.042 7.620 883 3HD1 LEU 110 3HD1 LEU 110 1.467 2.873 7.872 884 1HD2 LEU 110 1HD2 LEU 110 0.527 2.682 9.967 885 2HD2 LEU 110 2HD2 LEU 110 1.340 3.332 11.388 886 3HD2 LEU 110 3HD2 LEU 110 1.633 1.665 10.891 887 H ASN 111 HN ASN 111 2.921 5.598 11.105 888 HA ASN 111 HA ASN 111 1.928 5.203 13.832 889 1HB ASN 111 HB2 ASN 111 2.721 7.538 12.371 890 2HB ASN 111 HB1 ASN 111 1.039 7.691 12.863 891 1HD2 ASN 111 1HD2 ASN 111 1.824 9.433 14.197 892 2HD2 ASN 111 2HD2 ASN 111 2.508 9.078 15.744 893 H ALA 112 HN ALA 112 -0.028 4.551 14.199 894 HA ALA 112 HA ALA 112 -1.828 3.973 12.071 895 1HB ALA 112 HB1 ALA 112 -2.741 3.964 14.905 896 2HB ALA 112 HB2 ALA 112 -1.497 2.816 14.412 897 3HB ALA 112 HB3 ALA 112 -3.068 2.812 13.609 898 H ASP 113 HN ASP 113 -1.223 6.753 13.947 899 HA ASP 113 HA ASP 113 -3.884 7.824 13.922 900 1HB ASP 113 HB2 ASP 113 -2.087 8.386 15.614 901 2HB ASP 113 HB1 ASP 113 -1.316 9.350 14.357 902 H ASP 114 HN ASP 114 -0.895 8.556 12.108 903 HA ASP 114 HA ASP 114 -2.104 10.536 10.480 904 1HB ASP 114 HB2 ASP 114 0.061 9.438 9.038 905 2HB ASP 114 HB1 ASP 114 0.030 10.926 9.965 906 H PHE 115 HN PHE 115 -1.963 7.087 10.321 907 HA PHE 115 HA PHE 115 -2.991 7.083 7.579 908 1HB PHE 115 HB2 PHE 115 -1.917 5.120 7.345 909 2HB PHE 115 HB1 PHE 115 -1.184 5.430 8.919 910 HD1 PHE 115 HD1 PHE 115 -3.058 4.882 10.861 911 HD2 PHE 115 HD2 PHE 115 -2.626 2.954 7.109 912 HE1 PHE 115 HE1 PHE 115 -4.113 2.872 11.793 913 HE2 PHE 115 HE2 PHE 115 -3.683 0.934 8.026 914 HZ PHE 115 HZ PHE 115 -4.431 0.896 10.370 915 HA PRO 116 HA PRO 116 -7.138 6.147 8.789 916 1HB PRO 116 HB2 PRO 116 -7.920 4.183 7.100 917 2HB PRO 116 HB1 PRO 116 -7.638 5.843 6.561 918 1HG PRO 116 HG2 PRO 116 -5.845 3.455 6.357 919 2HG PRO 116 HG1 PRO 116 -6.188 4.702 5.145 920 1HD PRO 116 HD2 PRO 116 -3.939 4.703 6.672 921 2HD PRO 116 HD1 PRO 116 -4.699 6.190 6.074 922 HA PRO 117 HA PRO 117 -6.633 2.862 11.816 923 1HB PRO 117 HB2 PRO 117 -9.177 3.019 12.837 924 2HB PRO 117 HB1 PRO 117 -7.849 4.083 13.310 925 1HG PRO 117 HG2 PRO 117 -10.060 4.568 11.355 926 2HG PRO 117 HG1 PRO 117 -9.377 5.666 12.569 927 1HD PRO 117 HD2 PRO 117 -8.719 5.854 9.973 928 2HD PRO 117 HD1 PRO 117 -7.533 6.169 11.257 929 H ALA 118 HN ALA 118 -8.883 2.937 9.214 930 HA ALA 118 HA ALA 118 -10.183 0.463 9.718 931 1HB ALA 118 HB1 ALA 118 -9.918 2.196 7.288 932 2HB ALA 118 HB2 ALA 118 -11.336 1.918 8.300 933 3HB ALA 118 HB3 ALA 118 -10.749 0.641 7.233 934 H ASN 119 HN ASN 119 -7.028 1.129 8.801 935 HA ASN 119 HA ASN 119 -6.738 -1.554 7.617 936 1HB ASN 119 HB2 ASN 119 -5.813 1.075 6.749 937 2HB ASN 119 HB1 ASN 119 -4.520 -0.120 6.796 938 1HD2 ASN 119 1HD2 ASN 119 -7.932 -0.665 6.107 939 2HD2 ASN 119 2HD2 ASN 119 -7.704 -1.199 4.481 940 H GLU 120 HN GLU 120 -6.610 -0.810 10.445 941 HA GLU 120 HA GLU 120 -3.873 -0.734 11.231 942 1HB GLU 120 HB2 GLU 120 -4.736 -0.107 13.174 943 2HB GLU 120 HB1 GLU 120 -6.314 -0.190 12.424 944 1HG GLU 120 HG2 GLU 120 -6.578 -2.483 13.206 945 2HG GLU 120 HG1 GLU 120 -4.974 -2.423 13.938 946 HA PRO 121 HA PRO 121 -5.194 -5.479 12.308 947 1HB PRO 121 HB2 PRO 121 -5.864 -5.825 9.409 948 2HB PRO 121 HB1 PRO 121 -6.461 -6.723 10.812 949 1HG PRO 121 HG2 PRO 121 -7.968 -4.847 9.692 950 2HG PRO 121 HG1 PRO 121 -7.905 -5.017 11.456 951 1HD PRO 121 HD2 PRO 121 -6.682 -2.947 9.707 952 2HD PRO 121 HD1 PRO 121 -7.271 -2.812 11.376 953 H VAL 122 HN VAL 122 -3.986 -4.440 9.122 954 HA VAL 122 HA VAL 122 -1.893 -6.407 9.134 955 HB VAL 122 HB VAL 122 -1.638 -4.074 7.324 956 1HG1 VAL 122 1HG1 VAL 122 -0.155 -5.673 6.711 957 2HG1 VAL 122 2HG1 VAL 122 -1.530 -6.219 5.752 958 3HG1 VAL 122 3HG1 VAL 122 -1.165 -6.996 7.293 959 1HG2 VAL 122 1HG2 VAL 122 -3.412 -5.545 5.894 960 2HG2 VAL 122 2HG2 VAL 122 -3.811 -4.067 6.771 961 3HG2 VAL 122 3HG2 VAL 122 -4.107 -5.639 7.511 962 H ILE 123 HN ILE 123 -2.247 -3.024 9.922 963 HA ILE 123 HA ILE 123 0.511 -2.415 10.131 964 HB ILE 123 HB ILE 123 -1.834 -1.085 11.492 965 1HG1 ILE 123 2HG1 ILE 123 -1.738 -1.234 8.913 966 2HG1 ILE 123 1HG1 ILE 123 -1.999 0.340 9.649 967 1HG2 ILE 123 1HG2 ILE 123 0.140 -0.445 12.639 968 2HG2 ILE 123 2HG2 ILE 123 -0.257 0.881 11.546 969 3HG2 ILE 123 3HG2 ILE 123 1.032 -0.249 11.130 970 1HD1 ILE 123 1HD1 ILE 123 0.812 -0.216 9.258 971 2HD1 ILE 123 2HD1 ILE 123 -0.157 1.169 8.745 972 3HD1 ILE 123 3HD1 ILE 123 -0.107 -0.291 7.752 973 H ALA 124 HN ALA 124 -1.905 -3.568 12.452 974 HA ALA 124 HA ALA 124 -0.439 -3.279 14.793 975 1HB ALA 124 HB1 ALA 124 -2.636 -5.068 13.911 976 2HB ALA 124 HB2 ALA 124 -2.561 -3.952 15.275 977 3HB ALA 124 HB3 ALA 124 -1.761 -5.520 15.373 978 H LYS 125 HN LYS 125 -0.143 -5.584 12.199 979 HA LYS 125 HA LYS 125 1.594 -7.364 13.662 980 1HB LYS 125 HB2 LYS 125 0.660 -7.194 10.818 981 2HB LYS 125 HB1 LYS 125 1.976 -8.274 11.258 982 1HG LYS 125 HG2 LYS 125 -0.741 -8.321 12.550 983 2HG LYS 125 HG1 LYS 125 -0.268 -9.345 11.192 984 1HD LYS 125 HD2 LYS 125 1.514 -10.325 12.537 985 2HD LYS 125 HD1 LYS 125 1.087 -9.274 13.888 986 1HE LYS 125 HE2 LYS 125 0.157 -11.488 14.221 987 2HE LYS 125 HE1 LYS 125 -1.136 -10.314 13.977 988 1HZ LYS 125 HZ1 LYS 125 -1.631 -11.154 11.913 989 2HZ LYS 125 HZ2 LYS 125 -1.189 -12.566 12.730 990 3HZ LYS 125 HZ3 LYS 125 -0.094 -11.822 11.677 991 H LEU 126 HN LEU 126 2.083 -5.127 10.915 992 HA LEU 126 HA LEU 126 4.936 -5.421 11.013 993 1HB LEU 126 HB2 LEU 126 3.507 -4.930 8.964 994 2HB LEU 126 HB1 LEU 126 3.415 -3.280 9.551 995 HG LEU 126 HG LEU 126 6.108 -3.699 9.592 996 1HD1 LEU 126 1HD1 LEU 126 5.355 -5.926 8.331 997 2HD1 LEU 126 2HD1 LEU 126 6.854 -5.076 7.955 998 3HD1 LEU 126 3HD1 LEU 126 5.427 -4.834 6.947 999 1HD2 LEU 126 1HD2 LEU 126 4.346 -2.629 7.397 1000 2HD2 LEU 126 2HD2 LEU 126 6.100 -2.441 7.423 1001 3HD2 LEU 126 3HD2 LEU 126 5.118 -1.727 8.702 1002 H LYS 127 HN LYS 127 2.674 -3.374 12.581 1003 HA LYS 127 HA LYS 127 4.464 -1.179 13.052 1004 1HB LYS 127 HB2 LYS 127 2.054 -0.875 12.990 1005 2HB LYS 127 HB1 LYS 127 1.860 -1.923 14.382 1006 1HG LYS 127 HG2 LYS 127 2.845 -0.370 15.829 1007 2HG LYS 127 HG1 LYS 127 3.510 0.578 14.498 1008 1HD LYS 127 HD2 LYS 127 1.198 1.154 13.815 1009 2HD LYS 127 HD1 LYS 127 0.597 0.291 15.231 1010 1HE LYS 127 HE2 LYS 127 2.594 2.520 15.462 1011 2HE LYS 127 HE1 LYS 127 0.860 2.832 15.405 1012 1HZ LYS 127 HZ1 LYS 127 1.817 0.840 17.318 1013 2HZ LYS 127 HZ2 LYS 127 0.537 1.938 17.451 1014 3HZ LYS 127 HZ3 LYS 127 2.129 2.467 17.665 1015 H ARG 128 HN ARG 128 3.274 -3.946 14.890 1016 HA ARG 128 HA ARG 128 4.671 -3.297 17.281 1017 1HB ARG 128 HB2 ARG 128 2.657 -4.852 17.026 1018 2HB ARG 128 HB1 ARG 128 3.797 -6.057 16.445 1019 1HG ARG 128 HG2 ARG 128 4.730 -6.370 18.499 1020 2HG ARG 128 HG1 ARG 128 4.382 -4.724 19.029 1021 1HD ARG 128 HD2 ARG 128 2.318 -6.890 18.656 1022 2HD ARG 128 HD1 ARG 128 3.032 -6.436 20.204 1023 HE ARG 128 HE ARG 128 2.047 -4.098 19.275 1024 1HH1 ARG 128 1HH1 ARG 128 0.650 -7.267 19.694 1025 2HH1 ARG 128 2HH1 ARG 128 -0.947 -6.663 19.983 1026 1HH2 ARG 128 1HH2 ARG 128 -0.052 -3.300 19.656 1027 2HH2 ARG 128 2HH2 ARG 128 -1.346 -4.410 19.961 1028 H LEU 129 HN LEU 129 5.728 -4.257 14.271 1029 HA LEU 129 HA LEU 129 7.734 -6.134 14.841 1030 1HB LEU 129 HB2 LEU 129 8.073 -6.006 12.651 1031 2HB LEU 129 HB1 LEU 129 6.829 -4.778 12.600 1032 HG LEU 129 HG LEU 129 9.759 -4.193 12.977 1033 1HD1 LEU 129 1HD1 LEU 129 9.820 -4.898 10.817 1034 2HD1 LEU 129 2HD1 LEU 129 9.278 -3.242 10.548 1035 3HD1 LEU 129 3HD1 LEU 129 8.110 -4.564 10.543 1036 1HD2 LEU 129 1HD2 LEU 129 9.242 -1.972 12.956 1037 2HD2 LEU 129 2HD2 LEU 129 7.771 -2.597 13.702 1038 3HD2 LEU 129 3HD2 LEU 129 7.789 -2.206 11.982 1039 1HO1 MO2 130 1HO1 MO2 130 -3.806 3.627 -7.178 1040 2HO1 MO2 130 2HO1 MO2 130 -5.863 3.809 -9.748 1041 1HO2 MO2 130 1HO2 MO2 130 -4.494 2.402 -6.620 1042 2HO2 MO2 130 2HO2 MO2 130 -4.929 3.868 -10.936 1043 1H5* 8OG 131 1H5* 8OG 131 -12.486 5.116 -3.680 1044 2H5* 8OG 131 2H5* 8OG 131 -12.269 5.022 -1.959 1045 H4* 8OG 131 1H4* 8OG 131 -10.501 3.876 -4.108 1046 H3* 8OG 131 1H3* 8OG 131 -12.723 2.736 -2.772 1047 1H2* 8OG 131 1H2* 8OG 131 -11.793 1.391 -1.245 1048 2H2* 8OG 131 2H2* 8OG 131 -10.751 0.694 -2.465 1049 H1* 8OG 131 1H1* 8OG 131 -9.000 1.813 -1.708 1050 H1 8OG 131 H1 8OG 131 -6.198 0.963 3.475 1051 H7 8OG 131 H7 8OG 131 -10.863 2.657 2.981 1052 1H2 8OG 131 H21 8OG 131 -5.009 0.591 0.206 1053 2H2 8OG 131 H22 8OG 131 -4.664 0.435 1.896 1054 H3T 8OG 131 *HO1 8OG 131 -12.187 2.475 -5.020 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -25.202 -6.406 -4.467 2 2H MET 1 HT2 MET 1 -25.664 -7.683 -3.418 3 3H MET 1 HT3 MET 1 -24.565 -7.979 -4.701 4 HA MET 1 HA MET 1 -24.117 -6.288 -2.335 5 1HB MET 1 HB2 MET 1 -24.072 -8.973 -2.454 6 2HB MET 1 HB1 MET 1 -22.447 -8.643 -3.039 7 1HG MET 1 HG2 MET 1 -21.839 -7.560 -1.039 8 2HG MET 1 HG1 MET 1 -23.512 -7.468 -0.492 9 1HE MET 1 HE1 MET 1 -20.551 -10.256 0.905 10 2HE MET 1 HE2 MET 1 -21.325 -8.897 1.721 11 3HE MET 1 HE3 MET 1 -20.461 -8.639 0.205 12 H LYS 2 HN LYS 2 -22.153 -5.193 -2.267 13 HA LYS 2 HA LYS 2 -20.824 -4.888 -4.876 14 1HB LYS 2 HB2 LYS 2 -22.031 -2.934 -3.527 15 2HB LYS 2 HB1 LYS 2 -20.473 -2.868 -2.716 16 1HG LYS 2 HG2 LYS 2 -19.647 -2.899 -5.266 17 2HG LYS 2 HG1 LYS 2 -21.214 -2.115 -5.467 18 1HD LYS 2 HD2 LYS 2 -20.553 -0.521 -3.654 19 2HD LYS 2 HD1 LYS 2 -18.941 -1.239 -3.690 20 1HE LYS 2 HE2 LYS 2 -18.543 -0.486 -5.885 21 2HE LYS 2 HE1 LYS 2 -20.246 -0.116 -6.152 22 1HZ LYS 2 HZ1 LYS 2 -18.524 1.757 -5.600 23 2HZ LYS 2 HZ2 LYS 2 -18.838 1.293 -4.004 24 3HZ LYS 2 HZ3 LYS 2 -20.103 1.825 -4.993 25 H LYS 3 HN LYS 3 -18.841 -5.674 -5.049 26 HA LYS 3 HA LYS 3 -17.153 -5.801 -2.640 27 1HB LYS 3 HB2 LYS 3 -16.247 -7.944 -3.418 28 2HB LYS 3 HB1 LYS 3 -17.980 -8.045 -3.134 29 1HG LYS 3 HG2 LYS 3 -18.388 -7.840 -5.534 30 2HG LYS 3 HG1 LYS 3 -16.649 -7.740 -5.818 31 1HD LYS 3 HD2 LYS 3 -17.530 -10.055 -4.229 32 2HD LYS 3 HD1 LYS 3 -18.087 -10.039 -5.904 33 1HE LYS 3 HE2 LYS 3 -15.998 -10.309 -6.744 34 2HE LYS 3 HE1 LYS 3 -15.243 -9.374 -5.453 35 1HZ LYS 3 HZ1 LYS 3 -15.031 -11.192 -4.134 36 2HZ LYS 3 HZ2 LYS 3 -14.961 -11.972 -5.634 37 3HZ LYS 3 HZ3 LYS 3 -16.405 -11.964 -4.752 38 H LEU 4 HN LEU 4 -15.110 -5.085 -2.870 39 HA LEU 4 HA LEU 4 -14.035 -4.693 -5.565 40 1HB LEU 4 HB2 LEU 4 -13.150 -2.429 -4.645 41 2HB LEU 4 HB1 LEU 4 -14.785 -2.537 -5.269 42 HG LEU 4 HG LEU 4 -15.422 -2.969 -2.768 43 1HD1 LEU 4 1HD1 LEU 4 -13.251 -1.154 -2.038 44 2HD1 LEU 4 2HD1 LEU 4 -12.721 -2.790 -2.434 45 3HD1 LEU 4 3HD1 LEU 4 -13.922 -2.533 -1.169 46 1HD2 LEU 4 1HD2 LEU 4 -14.841 -0.441 -4.209 47 2HD2 LEU 4 2HD2 LEU 4 -15.233 -0.340 -2.492 48 3HD2 LEU 4 3HD2 LEU 4 -16.373 -1.082 -3.616 49 H GLN 5 HN GLN 5 -11.824 -4.847 -5.723 50 HA GLN 5 HA GLN 5 -10.469 -5.846 -3.333 51 1HB GLN 5 HB2 GLN 5 -9.617 -6.084 -6.214 52 2HB GLN 5 HB1 GLN 5 -8.886 -6.891 -4.834 53 1HG GLN 5 HG2 GLN 5 -11.220 -7.894 -4.464 54 2HG GLN 5 HG1 GLN 5 -11.535 -7.380 -6.113 55 1HE2 GLN 5 1HE2 GLN 5 -10.556 -8.435 -7.807 56 2HE2 GLN 5 2HE2 GLN 5 -9.676 -9.909 -7.616 57 H ILE 6 HN ILE 6 -8.354 -5.235 -2.847 58 HA ILE 6 HA ILE 6 -7.227 -2.891 -4.137 59 HB ILE 6 HB ILE 6 -7.754 -2.980 -1.163 60 1HG1 ILE 6 2HG1 ILE 6 -9.096 -0.815 -1.959 61 2HG1 ILE 6 1HG1 ILE 6 -9.226 -1.752 -3.443 62 1HG2 ILE 6 1HG2 ILE 6 -5.750 -1.695 -2.486 63 2HG2 ILE 6 2HG2 ILE 6 -6.416 -1.210 -0.928 64 3HG2 ILE 6 3HG2 ILE 6 -6.998 -0.451 -2.410 65 1HD1 ILE 6 1HD1 ILE 6 -9.850 -3.312 -1.076 66 2HD1 ILE 6 2HD1 ILE 6 -10.761 -3.100 -2.570 67 3HD1 ILE 6 3HD1 ILE 6 -10.900 -1.910 -1.276 68 H ALA 7 HN ALA 7 -5.062 -3.144 -4.321 69 HA ALA 7 HA ALA 7 -3.748 -5.025 -2.456 70 1HB ALA 7 HB1 ALA 7 -3.683 -4.913 -5.421 71 2HB ALA 7 HB2 ALA 7 -3.619 -6.303 -4.339 72 3HB ALA 7 HB3 ALA 7 -2.183 -5.311 -4.588 73 H VAL 8 HN VAL 8 -2.127 -4.120 -1.344 74 HA VAL 8 HA VAL 8 -0.917 -1.686 -2.461 75 HB VAL 8 HB VAL 8 -1.245 -0.582 -0.571 76 1HG1 VAL 8 1HG1 VAL 8 -3.365 -1.898 -0.674 77 2HG1 VAL 8 2HG1 VAL 8 -2.948 -1.299 0.931 78 3HG1 VAL 8 3HG1 VAL 8 -2.675 -2.992 0.524 79 1HG2 VAL 8 1HG2 VAL 8 -0.576 -1.491 1.674 80 2HG2 VAL 8 2HG2 VAL 8 0.709 -1.465 0.466 81 3HG2 VAL 8 3HG2 VAL 8 -0.106 -2.979 0.854 82 H GLY 9 HN GLY 9 1.271 -1.206 -1.752 83 1HA GLY 9 HA2 GLY 9 2.867 -3.554 -1.031 84 2HA GLY 9 HA1 GLY 9 3.232 -2.730 -2.535 85 H ILE 10 HN ILE 10 3.858 -2.866 0.744 86 HA ILE 10 HA ILE 10 4.515 -0.134 1.252 87 HB ILE 10 HB ILE 10 4.049 -1.715 3.072 88 1HG1 ILE 10 2HG1 ILE 10 6.747 -1.259 3.909 89 2HG1 ILE 10 1HG1 ILE 10 6.207 0.115 2.951 90 1HG2 ILE 10 1HG2 ILE 10 5.333 -3.593 1.795 91 2HG2 ILE 10 2HG2 ILE 10 5.282 -3.594 3.557 92 3HG2 ILE 10 3HG2 ILE 10 6.715 -3.004 2.718 93 1HD1 ILE 10 1HD1 ILE 10 4.253 -0.799 4.916 94 2HD1 ILE 10 2HD1 ILE 10 4.826 0.829 4.553 95 3HD1 ILE 10 3HD1 ILE 10 5.766 -0.223 5.612 96 H ILE 11 HN ILE 11 5.907 0.713 -0.251 97 HA ILE 11 HA ILE 11 8.141 -0.702 -1.284 98 HB ILE 11 HB ILE 11 8.095 2.275 -1.377 99 1HG1 ILE 11 2HG1 ILE 11 6.100 0.436 -2.688 100 2HG1 ILE 11 1HG1 ILE 11 5.803 1.940 -1.825 101 1HG2 ILE 11 1HG2 ILE 11 9.691 0.431 -2.503 102 2HG2 ILE 11 2HG2 ILE 11 9.362 2.004 -3.229 103 3HG2 ILE 11 3HG2 ILE 11 8.469 0.582 -3.765 104 1HD1 ILE 11 1HD1 ILE 11 7.131 1.694 -4.512 105 2HD1 ILE 11 2HD1 ILE 11 6.798 3.197 -3.655 106 3HD1 ILE 11 3HD1 ILE 11 5.465 2.192 -4.223 107 H ARG 12 HN ARG 12 10.052 -1.024 -0.461 108 HA ARG 12 HA ARG 12 10.879 0.456 1.914 109 1HB ARG 12 HB2 ARG 12 11.360 -2.230 0.856 110 2HB ARG 12 HB1 ARG 12 12.800 -1.460 1.506 111 1HG ARG 12 HG2 ARG 12 10.618 -1.053 3.303 112 2HG ARG 12 HG1 ARG 12 10.748 -2.763 2.904 113 1HD ARG 12 HD2 ARG 12 12.955 -0.998 3.952 114 2HD ARG 12 HD1 ARG 12 12.093 -2.241 4.858 115 HE ARG 12 HE ARG 12 14.248 -2.629 3.010 116 1HH1 ARG 12 1HH1 ARG 12 11.430 -4.117 4.432 117 2HH1 ARG 12 2HH1 ARG 12 11.999 -5.732 4.177 118 1HH2 ARG 12 1HH2 ARG 12 14.998 -4.752 2.673 119 2HH2 ARG 12 2HH2 ARG 12 14.026 -6.094 3.178 120 H ASN 13 HN ASN 13 12.379 1.935 1.896 121 HA ASN 13 HA ASN 13 13.704 2.659 -0.546 122 1HB ASN 13 HB2 ASN 13 12.815 4.226 1.292 123 2HB ASN 13 HB1 ASN 13 14.324 3.880 2.085 124 1HD2 ASN 13 1HD2 ASN 13 13.912 4.150 -1.386 125 2HD2 ASN 13 2HD2 ASN 13 14.845 5.589 -1.565 126 H GLU 14 HN GLU 14 16.035 3.618 0.078 127 HA GLU 14 HA GLU 14 17.716 1.295 0.224 128 1HB GLU 14 HB2 GLU 14 18.224 2.971 -1.408 129 2HB GLU 14 HB1 GLU 14 18.248 4.235 -0.183 130 1HG GLU 14 HG2 GLU 14 20.491 3.547 -1.005 131 2HG GLU 14 HG1 GLU 14 20.282 3.397 0.739 132 H ASN 15 HN ASN 15 16.408 3.193 2.614 133 HA ASN 15 HA ASN 15 18.618 2.517 4.428 134 1HB ASN 15 HB2 ASN 15 18.727 4.932 3.860 135 2HB ASN 15 HB1 ASN 15 17.095 5.130 4.493 136 1HD2 ASN 15 1HD2 ASN 15 19.988 3.414 5.623 137 2HD2 ASN 15 2HD2 ASN 15 20.020 4.150 7.186 138 H ASN 16 HN ASN 16 16.534 0.861 4.200 139 HA ASN 16 HA ASN 16 14.770 -0.135 5.246 140 1HB ASN 16 HB2 ASN 16 15.011 -0.394 7.618 141 2HB ASN 16 HB1 ASN 16 16.626 -0.336 6.922 142 1HD2 ASN 16 1HD2 ASN 16 14.270 1.331 8.854 143 2HD2 ASN 16 2HD2 ASN 16 15.346 2.515 9.507 144 H GLU 17 HN GLU 17 14.442 2.734 4.416 145 HA GLU 17 HA GLU 17 12.223 3.446 6.211 146 1HB GLU 17 HB2 GLU 17 12.419 5.735 5.217 147 2HB GLU 17 HB1 GLU 17 13.833 5.237 6.135 148 1HG GLU 17 HG2 GLU 17 14.898 4.590 3.963 149 2HG GLU 17 HG1 GLU 17 13.532 5.348 3.149 150 H ILE 18 HN ILE 18 10.190 3.730 5.322 151 HA ILE 18 HA ILE 18 9.951 2.828 2.533 152 HB ILE 18 HB ILE 18 8.341 2.354 4.974 153 1HG1 ILE 18 2HG1 ILE 18 8.459 0.381 2.799 154 2HG1 ILE 18 1HG1 ILE 18 10.018 0.836 3.478 155 1HG2 ILE 18 1HG2 ILE 18 6.730 3.414 3.426 156 2HG2 ILE 18 2HG2 ILE 18 6.359 1.727 3.753 157 3HG2 ILE 18 3HG2 ILE 18 7.115 2.180 2.227 158 1HD1 ILE 18 1HD1 ILE 18 9.395 0.106 5.632 159 2HD1 ILE 18 2HD1 ILE 18 8.911 -1.163 4.507 160 3HD1 ILE 18 3HD1 ILE 18 7.704 -0.057 5.162 161 H PHE 19 HN PHE 19 8.413 3.734 1.169 162 HA PHE 19 HA PHE 19 7.723 6.509 1.800 163 1HB PHE 19 HB2 PHE 19 8.692 6.801 -0.222 164 2HB PHE 19 HB1 PHE 19 8.590 5.091 -0.611 165 HD1 PHE 19 HD1 PHE 19 6.822 8.315 -0.763 166 HD2 PHE 19 HD2 PHE 19 6.848 4.240 -1.986 167 HE1 PHE 19 HE1 PHE 19 5.068 8.802 -2.417 168 HE2 PHE 19 HE2 PHE 19 5.094 4.720 -3.643 169 HZ PHE 19 HZ PHE 19 4.202 7.005 -3.859 170 H ILE 20 HN ILE 20 5.804 6.441 2.847 171 HA ILE 20 HA ILE 20 3.639 4.830 1.679 172 HB ILE 20 HB ILE 20 2.763 5.995 4.111 173 1HG1 ILE 20 2HG1 ILE 20 5.471 4.668 4.376 174 2HG1 ILE 20 1HG1 ILE 20 5.116 6.360 4.708 175 1HG2 ILE 20 1HG2 ILE 20 3.663 3.155 3.775 176 2HG2 ILE 20 2HG2 ILE 20 2.222 3.781 2.972 177 3HG2 ILE 20 3HG2 ILE 20 2.323 3.786 4.733 178 1HD1 ILE 20 1HD1 ILE 20 4.497 5.880 6.776 179 2HD1 ILE 20 2HD1 ILE 20 5.053 4.230 6.498 180 3HD1 ILE 20 3HD1 ILE 20 3.365 4.651 6.212 181 H THR 21 HN THR 21 2.187 5.858 0.473 182 HA THR 21 HA THR 21 2.136 8.695 0.243 183 HB THR 21 HB THR 21 0.458 8.375 -1.413 184 HG1 THR 21 HG1 THR 21 -0.974 7.036 -0.375 185 1HG2 THR 21 1HG2 THR 21 1.973 7.502 -2.761 186 2HG2 THR 21 2HG2 THR 21 1.422 5.901 -2.265 187 3HG2 THR 21 3HG2 THR 21 2.762 6.674 -1.420 188 H ARG 22 HN ARG 22 1.295 9.988 1.748 189 HA ARG 22 HA ARG 22 -0.992 9.046 3.318 190 1HB ARG 22 HB2 ARG 22 -0.460 10.797 4.884 191 2HB ARG 22 HB1 ARG 22 1.019 9.930 4.496 192 1HG ARG 22 HG2 ARG 22 1.365 11.801 2.739 193 2HG ARG 22 HG1 ARG 22 0.186 12.687 3.708 194 1HD ARG 22 HD2 ARG 22 2.268 11.416 5.307 195 2HD ARG 22 HD1 ARG 22 2.900 12.588 4.152 196 HE ARG 22 HE ARG 22 0.671 13.626 5.586 197 1HH1 ARG 22 1HH1 ARG 22 4.090 12.976 5.843 198 2HH1 ARG 22 2HH1 ARG 22 4.363 14.212 7.025 199 1HH2 ARG 22 1HH2 ARG 22 1.029 15.253 7.141 200 2HH2 ARG 22 2HH2 ARG 22 2.626 15.504 7.762 201 H ARG 23 HN ARG 23 -2.560 10.902 3.930 202 HA ARG 23 HA ARG 23 -3.734 11.829 1.496 203 1HB ARG 23 HB2 ARG 23 -4.403 12.215 4.406 204 2HB ARG 23 HB1 ARG 23 -5.300 13.043 3.141 205 1HG ARG 23 HG2 ARG 23 -4.963 10.103 2.912 206 2HG ARG 23 HG1 ARG 23 -6.088 10.725 4.120 207 1HD ARG 23 HD2 ARG 23 -7.555 11.466 2.569 208 2HD ARG 23 HD1 ARG 23 -6.283 11.936 1.440 209 HE ARG 23 HE ARG 23 -6.590 9.091 1.720 210 1HH1 ARG 23 1HH1 ARG 23 -7.713 11.938 0.043 211 2HH1 ARG 23 2HH1 ARG 23 -8.280 11.055 -1.335 212 1HH2 ARG 23 1HH2 ARG 23 -7.332 7.928 -0.091 213 2HH2 ARG 23 2HH2 ARG 23 -8.063 8.779 -1.412 214 H ALA 24 HN ALA 24 -1.434 12.909 1.175 215 HA ALA 24 HA ALA 24 -0.149 14.775 1.008 216 1HB ALA 24 HB1 ALA 24 -1.300 16.702 0.185 217 2HB ALA 24 HB2 ALA 24 -2.812 16.185 0.933 218 3HB ALA 24 HB3 ALA 24 -2.140 15.273 -0.418 219 H ALA 25 HN ALA 25 -0.370 17.370 1.812 220 HA ALA 25 HA ALA 25 -0.523 17.158 4.750 221 1HB ALA 25 HB1 ALA 25 1.252 18.997 4.700 222 2HB ALA 25 HB2 ALA 25 1.481 18.558 3.007 223 3HB ALA 25 HB3 ALA 25 1.759 17.363 4.274 224 H ASP 26 HN ASP 26 -2.576 18.032 2.796 225 HA ASP 26 HA ASP 26 -3.643 20.191 4.203 226 1HB ASP 26 HB2 ASP 26 -3.459 21.938 2.359 227 2HB ASP 26 HB1 ASP 26 -1.996 21.639 3.295 228 H ALA 27 HN ALA 27 -4.511 17.725 3.156 229 HA ALA 27 HA ALA 27 -6.290 18.421 0.940 230 1HB ALA 27 HB1 ALA 27 -6.426 15.700 2.033 231 2HB ALA 27 HB2 ALA 27 -4.849 16.168 1.398 232 3HB ALA 27 HB3 ALA 27 -6.275 16.249 0.365 233 H HIS 28 HN HIS 28 -6.731 16.432 3.865 234 HA HIS 28 HA HIS 28 -8.724 18.012 5.038 235 1HB HIS 28 HB2 HIS 28 -9.741 16.914 2.782 236 2HB HIS 28 HB1 HIS 28 -10.114 15.642 3.941 237 HD1 HIS 28 HD1 HIS 28 -12.079 17.797 2.450 238 HD2 HIS 28 HD2 HIS 28 -10.950 17.671 6.446 239 HE1 HIS 28 HE1 HIS 28 -13.881 19.031 3.697 240 HE2 HIS 28 HE2 HIS 28 -13.134 19.013 6.102 241 H MET 29 HN MET 29 -8.541 14.504 4.425 242 HA MET 29 HA MET 29 -8.487 14.059 7.316 243 1HB MET 29 HB2 MET 29 -8.965 11.702 6.740 244 2HB MET 29 HB1 MET 29 -10.170 12.812 6.099 245 1HG MET 29 HG2 MET 29 -8.247 12.559 4.090 246 2HG MET 29 HG1 MET 29 -8.489 10.932 4.722 247 1HE MET 29 HE1 MET 29 -10.993 10.809 5.790 248 2HE MET 29 HE2 MET 29 -11.622 9.849 4.449 249 3HE MET 29 HE3 MET 29 -12.437 11.338 4.927 250 H ALA 30 HN ALA 30 -6.307 14.662 7.662 251 HA ALA 30 HA ALA 30 -4.151 13.409 6.275 252 1HB ALA 30 HB1 ALA 30 -2.936 14.342 8.457 253 2HB ALA 30 HB2 ALA 30 -4.430 15.276 8.553 254 3HB ALA 30 HB3 ALA 30 -3.414 15.380 7.114 255 H ASN 31 HN ASN 31 -6.260 12.256 8.621 256 HA ASN 31 HA ASN 31 -4.309 10.511 9.896 257 1HB ASN 31 HB2 ASN 31 -6.916 11.554 10.573 258 2HB ASN 31 HB1 ASN 31 -6.891 9.803 10.748 259 1HD2 ASN 31 1HD2 ASN 31 -4.220 12.054 11.202 260 2HD2 ASN 31 2HD2 ASN 31 -3.995 11.728 12.883 261 H LYS 32 HN LYS 32 -5.237 10.301 6.988 262 HA LYS 32 HA LYS 32 -6.141 7.509 7.108 263 1HB LYS 32 HB2 LYS 32 -7.077 9.736 5.541 264 2HB LYS 32 HB1 LYS 32 -6.519 8.445 4.486 265 1HG LYS 32 HG2 LYS 32 -8.010 7.122 6.395 266 2HG LYS 32 HG1 LYS 32 -8.912 8.613 6.113 267 1HD LYS 32 HD2 LYS 32 -7.902 7.156 3.734 268 2HD LYS 32 HD1 LYS 32 -9.245 6.432 4.619 269 1HE LYS 32 HE2 LYS 32 -10.692 8.101 4.064 270 2HE LYS 32 HE1 LYS 32 -9.424 9.325 4.002 271 1HZ LYS 32 HZ1 LYS 32 -9.323 7.242 1.970 272 2HZ LYS 32 HZ2 LYS 32 -8.987 8.895 1.844 273 3HZ LYS 32 HZ3 LYS 32 -10.590 8.356 1.841 274 H LEU 33 HN LEU 33 -3.417 8.551 7.263 275 HA LEU 33 HA LEU 33 -1.887 8.368 5.003 276 1HB LEU 33 HB2 LEU 33 -1.268 8.728 7.506 277 2HB LEU 33 HB1 LEU 33 -1.036 6.996 7.524 278 HG LEU 33 HG LEU 33 0.573 9.110 6.174 279 1HD1 LEU 33 1HD1 LEU 33 2.293 8.269 7.376 280 2HD1 LEU 33 2HD1 LEU 33 1.708 6.609 7.262 281 3HD1 LEU 33 3HD1 LEU 33 0.975 7.726 8.414 282 1HD2 LEU 33 1HD2 LEU 33 0.541 6.229 5.280 283 2HD2 LEU 33 2HD2 LEU 33 1.628 7.495 4.711 284 3HD2 LEU 33 3HD2 LEU 33 -0.096 7.588 4.354 285 H GLU 34 HN GLU 34 -1.700 6.847 3.469 286 HA GLU 34 HA GLU 34 -1.851 4.026 4.262 287 1HB GLU 34 HB2 GLU 34 -3.604 5.464 2.342 288 2HB GLU 34 HB1 GLU 34 -3.087 3.845 1.895 289 1HG GLU 34 HG2 GLU 34 -4.174 2.865 3.701 290 2HG GLU 34 HG1 GLU 34 -4.285 4.389 4.581 291 H PHE 35 HN PHE 35 -1.499 2.745 1.960 292 HA PHE 35 HA PHE 35 0.981 3.877 0.848 293 1HB PHE 35 HB2 PHE 35 0.951 1.024 0.554 294 2HB PHE 35 HB1 PHE 35 2.110 2.033 1.407 295 HD1 PHE 35 HD1 PHE 35 2.485 1.494 3.592 296 HD2 PHE 35 HD2 PHE 35 -1.363 0.752 1.937 297 HE1 PHE 35 HE1 PHE 35 1.761 0.514 5.728 298 HE2 PHE 35 HE2 PHE 35 -2.096 -0.228 4.071 299 HZ PHE 35 HZ PHE 35 -0.533 -0.349 5.969 300 HA PRO 36 HA PRO 36 -0.408 3.506 -3.316 301 1HB PRO 36 HB2 PRO 36 1.592 1.925 -4.429 302 2HB PRO 36 HB1 PRO 36 1.668 3.677 -4.232 303 1HG PRO 36 HG2 PRO 36 2.823 1.523 -2.517 304 2HG PRO 36 HG1 PRO 36 3.512 3.096 -2.963 305 1HD PRO 36 HD2 PRO 36 2.450 2.685 -0.544 306 2HD PRO 36 HD1 PRO 36 2.245 4.237 -1.385 307 H GLY 37 HN GLY 37 -1.063 1.891 -5.008 308 1HA GLY 37 HA2 GLY 37 -1.529 -0.385 -5.600 309 2HA GLY 37 HA1 GLY 37 -1.424 -0.793 -3.916 310 H GLY 38 HN GLY 38 -3.252 1.399 -5.890 311 1HA GLY 38 HA2 GLY 38 -5.744 0.435 -4.657 312 2HA GLY 38 HA1 GLY 38 -5.460 2.141 -4.997 313 H LYS 39 HN LYS 39 -7.305 -0.211 -6.035 314 HA LYS 39 HA LYS 39 -8.638 -0.178 -7.921 315 1HB LYS 39 HB2 LYS 39 -7.708 2.020 -8.608 316 2HB LYS 39 HB1 LYS 39 -6.370 1.179 -9.379 317 1HG LYS 39 HG2 LYS 39 -7.559 0.767 -11.194 318 2HG LYS 39 HG1 LYS 39 -8.900 0.115 -10.253 319 1HD LYS 39 HD2 LYS 39 -8.374 3.046 -10.750 320 2HD LYS 39 HD1 LYS 39 -9.569 2.065 -11.600 321 1HE LYS 39 HE2 LYS 39 -10.995 2.759 -10.021 322 2HE LYS 39 HE1 LYS 39 -10.187 1.589 -8.979 323 1HZ LYS 39 HZ1 LYS 39 -10.156 4.454 -8.873 324 2HZ LYS 39 HZ2 LYS 39 -8.602 3.788 -8.818 325 3HZ LYS 39 HZ3 LYS 39 -9.759 3.325 -7.676 326 H ILE 40 HN ILE 40 -5.975 -1.840 -7.196 327 HA ILE 40 HA ILE 40 -5.149 -3.132 -9.502 328 HB ILE 40 HB ILE 40 -4.257 -4.840 -8.214 329 1HG1 ILE 40 2HG1 ILE 40 -5.694 -4.483 -5.690 330 2HG1 ILE 40 1HG1 ILE 40 -6.754 -4.978 -7.001 331 1HG2 ILE 40 1HG2 ILE 40 -2.992 -3.666 -6.760 332 2HG2 ILE 40 2HG2 ILE 40 -4.387 -2.934 -5.969 333 3HG2 ILE 40 3HG2 ILE 40 -3.818 -2.302 -7.510 334 1HD1 ILE 40 1HD1 ILE 40 -5.364 -6.677 -5.449 335 2HD1 ILE 40 2HD1 ILE 40 -4.250 -6.486 -6.803 336 3HD1 ILE 40 3HD1 ILE 40 -5.900 -7.039 -7.089 337 H GLU 41 HN GLU 41 -8.047 -3.388 -7.725 338 HA GLU 41 HA GLU 41 -9.115 -5.804 -8.361 339 1HB GLU 41 HB2 GLU 41 -11.350 -4.454 -8.497 340 2HB GLU 41 HB1 GLU 41 -10.463 -4.540 -6.987 341 1HG GLU 41 HG2 GLU 41 -10.345 -2.342 -6.899 342 2HG GLU 41 HG1 GLU 41 -9.506 -2.289 -8.439 343 H MET 42 HN MET 42 -10.090 -2.938 -10.217 344 HA MET 42 HA MET 42 -11.023 -2.881 -12.341 345 1HB MET 42 HB2 MET 42 -8.141 -3.699 -12.624 346 2HB MET 42 HB1 MET 42 -9.131 -3.314 -14.025 347 1HG MET 42 HG2 MET 42 -8.782 -1.425 -11.719 348 2HG MET 42 HG1 MET 42 -7.692 -1.458 -13.104 349 1HE MET 42 HE1 MET 42 -8.820 -0.669 -15.838 350 2HE MET 42 HE2 MET 42 -7.742 0.035 -14.633 351 3HE MET 42 HE3 MET 42 -9.071 0.988 -15.293 352 H GLY 43 HN GLY 43 -8.842 -5.528 -13.137 353 1HA GLY 43 HA2 GLY 43 -10.979 -7.474 -13.259 354 2HA GLY 43 HA1 GLY 43 -10.402 -6.925 -14.818 355 H GLU 44 HN GLU 44 -8.193 -7.083 -12.187 356 HA GLU 44 HA GLU 44 -6.835 -9.313 -13.532 357 1HB GLU 44 HB2 GLU 44 -5.911 -7.007 -11.889 358 2HB GLU 44 HB1 GLU 44 -4.964 -8.487 -11.836 359 1HG GLU 44 HG2 GLU 44 -3.927 -7.356 -13.528 360 2HG GLU 44 HG1 GLU 44 -5.089 -8.326 -14.434 361 H THR 45 HN THR 45 -5.333 -10.505 -11.781 362 HA THR 45 HA THR 45 -7.189 -11.476 -9.712 363 HB THR 45 HB THR 45 -4.942 -13.231 -10.167 364 HG1 THR 45 HG1 THR 45 -6.522 -12.715 -12.461 365 1HG2 THR 45 1HG2 THR 45 -7.114 -14.535 -11.168 366 2HG2 THR 45 2HG2 THR 45 -7.845 -13.402 -10.031 367 3HG2 THR 45 3HG2 THR 45 -6.608 -14.529 -9.478 368 HA PRO 46 HA PRO 46 -4.730 -10.253 -6.271 369 1HB PRO 46 HB2 PRO 46 -3.987 -12.817 -5.299 370 2HB PRO 46 HB1 PRO 46 -5.331 -11.813 -4.755 371 1HG PRO 46 HG2 PRO 46 -5.323 -14.074 -6.680 372 2HG PRO 46 HG1 PRO 46 -6.590 -13.555 -5.554 373 1HD PRO 46 HD2 PRO 46 -6.813 -13.081 -8.163 374 2HD PRO 46 HD1 PRO 46 -7.331 -11.864 -6.980 375 H GLU 47 HN GLU 47 -3.458 -12.609 -8.521 376 HA GLU 47 HA GLU 47 -0.729 -12.251 -7.646 377 1HB GLU 47 HB2 GLU 47 -2.076 -14.274 -8.942 378 2HB GLU 47 HB1 GLU 47 -1.123 -13.555 -10.233 379 1HG GLU 47 HG2 GLU 47 0.538 -14.847 -9.534 380 2HG GLU 47 HG1 GLU 47 0.678 -13.746 -8.165 381 H GLN 48 HN GLN 48 -2.359 -11.744 -10.809 382 HA GLN 48 HA GLN 48 -0.193 -10.071 -11.699 383 1HB GLN 48 HB2 GLN 48 -1.499 -9.854 -13.771 384 2HB GLN 48 HB1 GLN 48 -1.304 -11.531 -13.284 385 1HG GLN 48 HG2 GLN 48 -3.564 -11.549 -12.386 386 2HG GLN 48 HG1 GLN 48 -3.762 -9.854 -12.830 387 1HE2 GLN 48 1HE2 GLN 48 -5.643 -11.228 -13.837 388 2HE2 GLN 48 2HE2 GLN 48 -5.405 -11.647 -15.495 389 H ALA 49 HN ALA 49 -3.181 -9.530 -10.092 390 HA ALA 49 HA ALA 49 -3.875 -6.991 -10.993 391 1HB ALA 49 HB1 ALA 49 -5.267 -8.388 -9.505 392 2HB ALA 49 HB2 ALA 49 -5.098 -6.729 -8.935 393 3HB ALA 49 HB3 ALA 49 -4.168 -8.023 -8.176 394 H VAL 50 HN VAL 50 -1.714 -7.904 -8.318 395 HA VAL 50 HA VAL 50 -1.003 -5.165 -7.801 396 HB VAL 50 HB VAL 50 0.205 -5.893 -5.989 397 1HG1 VAL 50 1HG1 VAL 50 -1.152 -8.470 -5.926 398 2HG1 VAL 50 2HG1 VAL 50 -2.213 -7.131 -6.367 399 3HG1 VAL 50 3HG1 VAL 50 -1.306 -7.077 -4.857 400 1HG2 VAL 50 1HG2 VAL 50 1.356 -8.039 -5.796 401 2HG2 VAL 50 2HG2 VAL 50 1.869 -7.174 -7.243 402 3HG2 VAL 50 3HG2 VAL 50 0.739 -8.520 -7.377 403 H VAL 51 HN VAL 51 0.612 -7.975 -9.239 404 HA VAL 51 HA VAL 51 3.072 -6.794 -9.795 405 HB VAL 51 HB VAL 51 1.676 -8.885 -11.474 406 1HG1 VAL 51 1HG1 VAL 51 4.337 -7.690 -11.522 407 2HG1 VAL 51 2HG1 VAL 51 3.494 -8.634 -12.751 408 3HG1 VAL 51 3HG1 VAL 51 4.360 -9.453 -11.450 409 1HG2 VAL 51 1HG2 VAL 51 3.669 -9.730 -9.487 410 2HG2 VAL 51 2HG2 VAL 51 2.133 -10.468 -9.943 411 3HG2 VAL 51 3HG2 VAL 51 2.160 -9.113 -8.815 412 H ARG 52 HN ARG 52 0.052 -6.781 -11.606 413 HA ARG 52 HA ARG 52 1.192 -5.405 -13.846 414 1HB ARG 52 HB2 ARG 52 -0.838 -6.971 -13.882 415 2HB ARG 52 HB1 ARG 52 -1.749 -5.613 -13.234 416 1HG ARG 52 HG2 ARG 52 -1.774 -4.519 -15.196 417 2HG ARG 52 HG1 ARG 52 -0.137 -5.023 -15.622 418 1HD ARG 52 HD2 ARG 52 -1.471 -7.388 -15.737 419 2HD ARG 52 HD1 ARG 52 -2.726 -6.262 -16.252 420 HE ARG 52 HE ARG 52 -0.289 -5.763 -17.618 421 1HH1 ARG 52 1HH1 ARG 52 -3.001 -7.957 -17.525 422 2HH1 ARG 52 2HH1 ARG 52 -2.868 -8.393 -19.195 423 1HH2 ARG 52 1HH2 ARG 52 -0.111 -6.334 -19.816 424 2HH2 ARG 52 2HH2 ARG 52 -1.227 -7.472 -20.496 425 H GLU 53 HN GLU 53 -0.944 -4.524 -11.158 426 HA GLU 53 HA GLU 53 -1.189 -1.800 -11.917 427 1HB GLU 53 HB2 GLU 53 -2.714 -3.160 -10.369 428 2HB GLU 53 HB1 GLU 53 -1.526 -2.838 -9.113 429 1HG GLU 53 HG2 GLU 53 -2.844 -1.065 -8.713 430 2HG GLU 53 HG1 GLU 53 -1.907 -0.344 -10.022 431 H LEU 54 HN LEU 54 1.265 -3.569 -10.256 432 HA LEU 54 HA LEU 54 2.376 -1.588 -8.639 433 1HB LEU 54 HB2 LEU 54 3.122 -4.172 -9.593 434 2HB LEU 54 HB1 LEU 54 4.493 -3.098 -9.781 435 HG LEU 54 HG LEU 54 4.586 -2.638 -7.460 436 1HD1 LEU 54 1HD1 LEU 54 2.697 -4.086 -6.126 437 2HD1 LEU 54 2HD1 LEU 54 1.788 -3.489 -7.513 438 3HD1 LEU 54 3HD1 LEU 54 2.611 -2.354 -6.444 439 1HD2 LEU 54 1HD2 LEU 54 5.684 -4.603 -7.582 440 2HD2 LEU 54 2HD2 LEU 54 4.322 -5.443 -8.319 441 3HD2 LEU 54 3HD2 LEU 54 4.341 -5.152 -6.580 442 H GLN 55 HN GLN 55 2.962 -2.335 -12.055 443 HA GLN 55 HA GLN 55 4.938 -0.351 -12.462 444 1HB GLN 55 HB2 GLN 55 3.477 -2.250 -14.062 445 2HB GLN 55 HB1 GLN 55 3.481 -0.688 -14.869 446 1HG GLN 55 HG2 GLN 55 5.378 -1.673 -15.708 447 2HG GLN 55 HG1 GLN 55 6.022 -0.717 -14.374 448 1HE2 GLN 55 1HE2 GLN 55 6.173 -1.917 -12.267 449 2HE2 GLN 55 2HE2 GLN 55 6.733 -3.549 -12.334 450 H GLU 56 HN GLU 56 1.473 -0.370 -12.381 451 HA GLU 56 HA GLU 56 1.109 2.245 -13.492 452 1HB GLU 56 HB2 GLU 56 -0.546 0.211 -13.327 453 2HB GLU 56 HB1 GLU 56 -0.932 0.909 -11.765 454 1HG GLU 56 HG2 GLU 56 -0.923 2.911 -13.845 455 2HG GLU 56 HG1 GLU 56 -2.031 1.591 -14.214 456 H GLU 57 HN GLU 57 1.596 0.891 -10.286 457 HA GLU 57 HA GLU 57 1.062 3.552 -9.167 458 1HB GLU 57 HB2 GLU 57 0.106 1.116 -8.344 459 2HB GLU 57 HB1 GLU 57 1.430 1.411 -7.222 460 1HG GLU 57 HG2 GLU 57 0.085 2.719 -6.058 461 2HG GLU 57 HG1 GLU 57 0.058 3.836 -7.419 462 H VAL 58 HN VAL 58 3.643 2.033 -10.293 463 HA VAL 58 HA VAL 58 5.398 3.273 -8.293 464 HB VAL 58 HB VAL 58 6.046 0.632 -9.612 465 1HG1 VAL 58 1HG1 VAL 58 7.532 2.548 -8.016 466 2HG1 VAL 58 2HG1 VAL 58 8.109 1.184 -8.973 467 3HG1 VAL 58 3HG1 VAL 58 7.558 0.929 -7.318 468 1HG2 VAL 58 1HG2 VAL 58 5.805 0.242 -6.862 469 2HG2 VAL 58 2HG2 VAL 58 4.731 -0.361 -8.124 470 3HG2 VAL 58 3HG2 VAL 58 4.380 1.171 -7.325 471 H GLY 59 HN GLY 59 5.074 1.901 -11.530 472 1HA GLY 59 HA2 GLY 59 5.833 2.639 -13.547 473 2HA GLY 59 HA1 GLY 59 6.198 4.163 -12.784 474 H ILE 60 HN ILE 60 8.060 3.249 -10.938 475 HA ILE 60 HA ILE 60 10.377 3.066 -12.587 476 HB ILE 60 HB ILE 60 11.378 2.703 -10.118 477 1HG1 ILE 60 2HG1 ILE 60 9.257 4.648 -9.431 478 2HG1 ILE 60 1HG1 ILE 60 8.853 2.938 -9.363 479 1HG2 ILE 60 1HG2 ILE 60 11.476 4.627 -11.985 480 2HG2 ILE 60 2HG2 ILE 60 12.259 4.751 -10.409 481 3HG2 ILE 60 3HG2 ILE 60 10.684 5.500 -10.672 482 1HD1 ILE 60 1HD1 ILE 60 9.548 3.427 -7.210 483 2HD1 ILE 60 2HD1 ILE 60 10.879 4.440 -7.770 484 3HD1 ILE 60 3HD1 ILE 60 10.967 2.688 -7.950 485 H THR 61 HN THR 61 12.173 1.541 -11.441 486 HA THR 61 HA THR 61 11.073 -1.173 -11.575 487 HB THR 61 HB THR 61 13.627 -1.542 -12.105 488 HG1 THR 61 HG1 THR 61 13.245 1.089 -13.047 489 1HG2 THR 61 1HG2 THR 61 11.800 -0.313 -14.151 490 2HG2 THR 61 2HG2 THR 61 11.815 -2.020 -13.693 491 3HG2 THR 61 3HG2 THR 61 13.223 -1.306 -14.481 492 HA PRO 62 HA PRO 62 12.980 -1.024 -7.429 493 1HB PRO 62 HB2 PRO 62 10.832 -1.174 -5.942 494 2HB PRO 62 HB1 PRO 62 11.057 0.260 -6.951 495 1HG PRO 62 HG2 PRO 62 9.248 -2.075 -7.360 496 2HG PRO 62 HG1 PRO 62 8.982 -0.366 -7.750 497 1HD PRO 62 HD2 PRO 62 9.951 -2.430 -9.489 498 2HD PRO 62 HD1 PRO 62 9.757 -0.705 -9.843 499 H GLN 63 HN GLN 63 13.577 -2.677 -6.027 500 HA GLN 63 HA GLN 63 12.850 -5.368 -6.768 501 1HB GLN 63 HB2 GLN 63 14.515 -4.225 -4.509 502 2HB GLN 63 HB1 GLN 63 14.196 -5.946 -4.676 503 1HG GLN 63 HG2 GLN 63 15.312 -5.978 -6.820 504 2HG GLN 63 HG1 GLN 63 15.565 -4.236 -6.737 505 1HE2 GLN 63 1HE2 GLN 63 17.774 -5.455 -7.155 506 2HE2 GLN 63 2HE2 GLN 63 18.738 -5.654 -5.735 507 H HIS 64 HN HIS 64 10.623 -5.033 -6.554 508 HA HIS 64 HA HIS 64 9.606 -5.031 -3.791 509 1HB HIS 64 HB2 HIS 64 8.933 -2.985 -4.783 510 2HB HIS 64 HB1 HIS 64 8.645 -3.746 -6.319 511 HD1 HIS 64 HD1 HIS 64 7.081 -5.510 -3.498 512 HD2 HIS 64 HD2 HIS 64 6.065 -2.474 -6.139 513 HE1 HIS 64 HE1 HIS 64 4.586 -5.286 -3.331 514 HE2 HIS 64 HE2 HIS 64 4.015 -3.340 -4.823 515 H PHE 65 HN PHE 65 8.557 -6.841 -3.209 516 HA PHE 65 HA PHE 65 6.777 -8.251 -4.881 517 1HB PHE 65 HB2 PHE 65 9.214 -8.707 -5.763 518 2HB PHE 65 HB1 PHE 65 9.245 -9.834 -4.420 519 HD1 PHE 65 HD1 PHE 65 6.937 -8.877 -7.187 520 HD2 PHE 65 HD2 PHE 65 8.692 -12.018 -4.913 521 HE1 PHE 65 HE1 PHE 65 5.765 -10.533 -8.578 522 HE2 PHE 65 HE2 PHE 65 7.523 -13.679 -6.301 523 HZ PHE 65 HZ PHE 65 6.058 -12.936 -8.138 524 H SER 66 HN SER 66 5.949 -10.212 -3.911 525 HA SER 66 HA SER 66 5.475 -11.690 -2.221 526 1HB SER 66 HB2 SER 66 7.302 -10.326 -0.279 527 2HB SER 66 HB1 SER 66 6.889 -12.034 -0.416 528 HG SER 66 HG SER 66 8.233 -12.211 -2.167 529 H LEU 67 HN LEU 67 4.998 -11.327 0.418 530 HA LEU 67 HA LEU 67 3.556 -8.812 0.743 531 1HB LEU 67 HB2 LEU 67 1.470 -9.873 1.288 532 2HB LEU 67 HB1 LEU 67 1.969 -10.370 -0.318 533 HG LEU 67 HG LEU 67 3.009 -12.397 1.132 534 1HD1 LEU 67 1HD1 LEU 67 0.912 -11.140 2.780 535 2HD1 LEU 67 2HD1 LEU 67 2.285 -12.142 3.253 536 3HD1 LEU 67 3HD1 LEU 67 0.824 -12.893 2.610 537 1HD2 LEU 67 1HD2 LEU 67 1.277 -12.235 -0.837 538 2HD2 LEU 67 2HD2 LEU 67 0.114 -12.559 0.449 539 3HD2 LEU 67 3HD2 LEU 67 1.416 -13.705 0.129 540 H PHE 68 HN PHE 68 3.691 -8.052 2.782 541 HA PHE 68 HA PHE 68 5.109 -9.630 4.707 542 1HB PHE 68 HB2 PHE 68 5.199 -7.709 6.081 543 2HB PHE 68 HB1 PHE 68 5.368 -7.126 4.435 544 HD1 PHE 68 HD1 PHE 68 4.253 -5.210 3.915 545 HD2 PHE 68 HD2 PHE 68 2.620 -7.756 6.903 546 HE1 PHE 68 HE1 PHE 68 2.460 -3.577 4.325 547 HE2 PHE 68 HE2 PHE 68 0.811 -6.143 7.301 548 HZ PHE 68 HZ PHE 68 0.739 -4.038 6.026 549 H GLU 69 HN GLU 69 1.825 -8.624 4.144 550 HA GLU 69 HA GLU 69 0.712 -10.754 5.620 551 1HB GLU 69 HB2 GLU 69 1.457 -8.963 7.395 552 2HB GLU 69 HB1 GLU 69 0.007 -8.122 6.865 553 1HG GLU 69 HG2 GLU 69 -0.859 -10.704 7.291 554 2HG GLU 69 HG1 GLU 69 0.309 -10.434 8.582 555 H LYS 70 HN LYS 70 -1.733 -10.607 5.595 556 HA LYS 70 HA LYS 70 -2.737 -8.638 3.688 557 1HB LYS 70 HB2 LYS 70 -3.866 -10.419 2.364 558 2HB LYS 70 HB1 LYS 70 -2.112 -10.465 2.252 559 1HG LYS 70 HG2 LYS 70 -3.366 -12.147 4.336 560 2HG LYS 70 HG1 LYS 70 -3.593 -12.637 2.656 561 1HD LYS 70 HD2 LYS 70 -1.394 -13.139 2.364 562 2HD LYS 70 HD1 LYS 70 -0.849 -11.880 3.475 563 1HE LYS 70 HE2 LYS 70 -0.367 -14.045 4.420 564 2HE LYS 70 HE1 LYS 70 -1.632 -13.261 5.366 565 1HZ LYS 70 HZ1 LYS 70 -1.892 -15.504 3.460 566 2HZ LYS 70 HZ2 LYS 70 -3.231 -14.578 3.919 567 3HZ LYS 70 HZ3 LYS 70 -2.360 -15.442 5.085 568 H LEU 71 HN LEU 71 -4.741 -7.947 4.141 569 HA LEU 71 HA LEU 71 -6.314 -9.483 6.102 570 1HB LEU 71 HB2 LEU 71 -5.530 -7.507 7.176 571 2HB LEU 71 HB1 LEU 71 -5.957 -6.508 5.802 572 HG LEU 71 HG LEU 71 -8.398 -7.314 6.355 573 1HD1 LEU 71 1HD1 LEU 71 -8.381 -7.290 9.016 574 2HD1 LEU 71 2HD1 LEU 71 -6.824 -8.073 8.743 575 3HD1 LEU 71 3HD1 LEU 71 -8.297 -8.781 8.079 576 1HD2 LEU 71 1HD2 LEU 71 -8.734 -5.230 7.147 577 2HD2 LEU 71 2HD2 LEU 71 -7.045 -5.011 6.689 578 3HD2 LEU 71 3HD2 LEU 71 -7.463 -5.371 8.363 579 H GLU 72 HN GLU 72 -8.495 -9.710 5.747 580 HA GLU 72 HA GLU 72 -9.668 -8.447 3.388 581 1HB GLU 72 HB2 GLU 72 -9.104 -10.447 2.366 582 2HB GLU 72 HB1 GLU 72 -9.279 -11.376 3.847 583 1HG GLU 72 HG2 GLU 72 -11.633 -11.390 3.672 584 2HG GLU 72 HG1 GLU 72 -11.615 -10.177 2.393 585 H TYR 73 HN TYR 73 -11.346 -7.370 4.190 586 HA TYR 73 HA TYR 73 -13.236 -8.794 5.917 587 1HB TYR 73 HB2 TYR 73 -13.478 -6.861 7.388 588 2HB TYR 73 HB1 TYR 73 -11.810 -7.423 7.391 589 HD1 TYR 73 HD1 TYR 73 -10.233 -6.206 5.657 590 HD2 TYR 73 HD2 TYR 73 -13.884 -4.600 7.138 591 HE1 TYR 73 HE1 TYR 73 -9.467 -3.944 5.075 592 HE2 TYR 73 HE2 TYR 73 -13.128 -2.333 6.558 593 HH TYR 73 HH TYR 73 -11.095 -1.119 6.141 594 H GLU 74 HN GLU 74 -15.399 -7.970 5.837 595 HA GLU 74 HA GLU 74 -15.894 -6.225 3.516 596 1HB GLU 74 HB2 GLU 74 -18.149 -7.536 3.449 597 2HB GLU 74 HB1 GLU 74 -16.707 -8.236 2.729 598 1HG GLU 74 HG2 GLU 74 -16.384 -9.409 4.976 599 2HG GLU 74 HG1 GLU 74 -18.051 -8.949 5.309 600 H PHE 75 HN PHE 75 -17.368 -4.646 3.690 601 HA PHE 75 HA PHE 75 -18.238 -3.943 6.370 602 1HB PHE 75 HB2 PHE 75 -17.593 -2.517 3.927 603 2HB PHE 75 HB1 PHE 75 -19.132 -1.982 4.588 604 HD1 PHE 75 HD1 PHE 75 -18.943 -0.070 5.828 605 HD2 PHE 75 HD2 PHE 75 -15.828 -2.961 6.026 606 HE1 PHE 75 HE1 PHE 75 -17.750 1.334 7.459 607 HE2 PHE 75 HE2 PHE 75 -14.628 -1.564 7.659 608 HZ PHE 75 HZ PHE 75 -15.589 0.586 8.377 609 HA PRO 76 HA PRO 76 -22.522 -4.941 6.185 610 1HB PRO 76 HB2 PRO 76 -23.717 -2.421 6.423 611 2HB PRO 76 HB1 PRO 76 -23.233 -3.468 7.758 612 1HG PRO 76 HG2 PRO 76 -21.802 -1.146 6.553 613 2HG PRO 76 HG1 PRO 76 -21.888 -1.659 8.249 614 1HD PRO 76 HD2 PRO 76 -19.707 -2.113 6.771 615 2HD PRO 76 HD1 PRO 76 -20.268 -3.307 7.958 616 H ASP 77 HN ASP 77 -22.264 -5.517 3.960 617 HA ASP 77 HA ASP 77 -23.456 -5.656 1.970 618 1HB ASP 77 HB2 ASP 77 -24.014 -2.692 2.144 619 2HB ASP 77 HB1 ASP 77 -24.771 -3.867 1.074 620 H ARG 78 HN ARG 78 -20.659 -4.633 2.715 621 HA ARG 78 HA ARG 78 -19.898 -3.967 -0.032 622 1HB ARG 78 HB2 ARG 78 -19.927 -1.856 1.220 623 2HB ARG 78 HB1 ARG 78 -18.861 -2.552 2.431 624 1HG ARG 78 HG2 ARG 78 -17.082 -2.751 0.806 625 2HG ARG 78 HG1 ARG 78 -18.148 -2.154 -0.466 626 1HD ARG 78 HD2 ARG 78 -18.070 0.002 0.288 627 2HD ARG 78 HD1 ARG 78 -17.800 -0.479 1.963 628 HE ARG 78 HE ARG 78 -15.577 -1.108 0.285 629 1HH1 ARG 78 1HH1 ARG 78 -17.115 1.475 2.058 630 2HH1 ARG 78 2HH1 ARG 78 -15.651 2.377 2.261 631 1HH2 ARG 78 1HH2 ARG 78 -13.648 0.078 0.551 632 2HH2 ARG 78 2HH2 ARG 78 -13.682 1.585 1.406 633 H HIS 79 HN HIS 79 -17.798 -4.663 -0.625 634 HA HIS 79 HA HIS 79 -16.520 -6.491 1.298 635 1HB HIS 79 HB2 HIS 79 -17.828 -7.304 -0.966 636 2HB HIS 79 HB1 HIS 79 -16.172 -7.157 -1.547 637 HD1 HIS 79 HD1 HIS 79 -14.840 -8.114 1.172 638 HD2 HIS 79 HD2 HIS 79 -17.867 -10.065 -0.899 639 HE1 HIS 79 HE1 HIS 79 -14.695 -10.522 1.881 640 HE2 HIS 79 HE2 HIS 79 -16.481 -11.699 0.549 641 H ILE 80 HN ILE 80 -14.804 -5.262 1.909 642 HA ILE 80 HA ILE 80 -13.151 -4.065 -0.191 643 HB ILE 80 HB ILE 80 -13.732 -2.420 1.407 644 1HG1 ILE 80 2HG1 ILE 80 -11.046 -3.308 2.412 645 2HG1 ILE 80 1HG1 ILE 80 -11.252 -2.715 0.769 646 1HG2 ILE 80 1HG2 ILE 80 -13.344 -2.716 3.836 647 2HG2 ILE 80 2HG2 ILE 80 -12.943 -4.405 3.530 648 3HG2 ILE 80 3HG2 ILE 80 -14.564 -3.807 3.182 649 1HD1 ILE 80 1HD1 ILE 80 -11.760 -1.218 3.326 650 2HD1 ILE 80 2HD1 ILE 80 -12.188 -0.616 1.724 651 3HD1 ILE 80 3HD1 ILE 80 -10.498 -0.913 2.132 652 H THR 81 HN THR 81 -11.555 -5.326 -0.853 653 HA THR 81 HA THR 81 -10.254 -7.134 1.063 654 HB THR 81 HB THR 81 -9.518 -7.366 -1.775 655 HG1 THR 81 HG1 THR 81 -11.663 -6.871 -2.113 656 1HG2 THR 81 1HG2 THR 81 -9.055 -9.028 0.096 657 2HG2 THR 81 2HG2 THR 81 -9.674 -9.662 -1.430 658 3HG2 THR 81 3HG2 THR 81 -10.755 -9.473 -0.049 659 H LEU 82 HN LEU 82 -8.360 -6.483 1.887 660 HA LEU 82 HA LEU 82 -6.716 -4.654 0.255 661 1HB LEU 82 HB2 LEU 82 -7.009 -4.791 3.253 662 2HB LEU 82 HB1 LEU 82 -5.824 -3.801 2.423 663 HG LEU 82 HG LEU 82 -8.789 -3.499 1.983 664 1HD1 LEU 82 1HD1 LEU 82 -7.419 -1.473 3.592 665 2HD1 LEU 82 2HD1 LEU 82 -7.581 -3.042 4.381 666 3HD1 LEU 82 3HD1 LEU 82 -9.014 -2.199 3.793 667 1HD2 LEU 82 1HD2 LEU 82 -8.284 -1.765 0.644 668 2HD2 LEU 82 2HD2 LEU 82 -6.723 -2.572 0.498 669 3HD2 LEU 82 3HD2 LEU 82 -6.928 -1.249 1.647 670 H TRP 83 HN TRP 83 -4.974 -5.639 -0.510 671 HA TRP 83 HA TRP 83 -3.714 -7.739 1.116 672 1HB TRP 83 HB2 TRP 83 -3.559 -7.189 -1.854 673 2HB TRP 83 HB1 TRP 83 -2.577 -8.395 -1.025 674 HD1 TRP 83 HD1 TRP 83 -6.316 -7.757 -0.421 675 HE1 TRP 83 HE1 TRP 83 -7.607 -9.914 -0.955 676 HE3 TRP 83 HE3 TRP 83 -2.453 -10.579 -2.207 677 HZ2 TRP 83 HZ2 TRP 83 -7.055 -12.486 -1.994 678 HZ3 TRP 83 HZ3 TRP 83 -2.915 -12.880 -2.948 679 HH2 TRP 83 HH2 TRP 83 -5.170 -13.811 -2.843 680 H PHE 84 HN PHE 84 -1.907 -7.260 2.104 681 HA PHE 84 HA PHE 84 -0.453 -4.851 1.295 682 1HB PHE 84 HB2 PHE 84 -0.315 -6.458 3.851 683 2HB PHE 84 HB1 PHE 84 0.654 -5.035 3.514 684 HD1 PHE 84 HD1 PHE 84 -0.070 -3.124 4.581 685 HD2 PHE 84 HD2 PHE 84 -2.951 -5.974 3.266 686 HE1 PHE 84 HE1 PHE 84 -1.875 -1.709 5.462 687 HE2 PHE 84 HE2 PHE 84 -4.756 -4.559 4.146 688 HZ PHE 84 HZ PHE 84 -4.218 -2.425 5.247 689 H TRP 85 HN TRP 85 1.121 -5.180 -0.108 690 HA TRP 85 HA TRP 85 2.574 -7.702 -0.095 691 1HB TRP 85 HB2 TRP 85 2.389 -5.455 -2.087 692 2HB TRP 85 HB1 TRP 85 3.547 -6.774 -2.257 693 HD1 TRP 85 HD1 TRP 85 -0.287 -6.471 -1.691 694 HE1 TRP 85 HE1 TRP 85 -1.438 -8.298 -3.087 695 HE3 TRP 85 HE3 TRP 85 3.858 -8.699 -3.684 696 HZ2 TRP 85 HZ2 TRP 85 -0.688 -10.406 -4.809 697 HZ3 TRP 85 HZ3 TRP 85 3.555 -10.616 -5.197 698 HH2 TRP 85 HH2 TRP 85 1.327 -11.451 -5.745 699 H LEU 86 HN LEU 86 4.823 -7.859 -0.027 700 HA LEU 86 HA LEU 86 6.104 -5.768 1.533 701 1HB LEU 86 HB2 LEU 86 6.115 -8.180 2.224 702 2HB LEU 86 HB1 LEU 86 7.155 -8.505 0.851 703 HG LEU 86 HG LEU 86 8.326 -8.271 3.065 704 1HD1 LEU 86 1HD1 LEU 86 9.153 -7.625 0.578 705 2HD1 LEU 86 2HD1 LEU 86 10.189 -7.598 2.005 706 3HD1 LEU 86 3HD1 LEU 86 9.449 -6.106 1.424 707 1HD2 LEU 86 1HD2 LEU 86 8.250 -5.339 2.874 708 2HD2 LEU 86 2HD2 LEU 86 8.271 -6.388 4.292 709 3HD2 LEU 86 3HD2 LEU 86 6.759 -6.095 3.433 710 H VAL 87 HN VAL 87 7.832 -4.607 0.859 711 HA VAL 87 HA VAL 87 8.918 -5.137 -1.836 712 HB VAL 87 HB VAL 87 8.588 -2.441 -0.573 713 1HG1 VAL 87 1HG1 VAL 87 8.900 -1.915 -3.166 714 2HG1 VAL 87 2HG1 VAL 87 9.822 -3.413 -3.070 715 3HG1 VAL 87 3HG1 VAL 87 10.255 -2.049 -2.047 716 1HG2 VAL 87 1HG2 VAL 87 6.437 -2.545 -1.205 717 2HG2 VAL 87 2HG2 VAL 87 6.698 -4.111 -1.971 718 3HG2 VAL 87 3HG2 VAL 87 6.993 -2.624 -2.874 719 H GLU 88 HN GLU 88 11.142 -4.839 -2.108 720 HA GLU 88 HA GLU 88 12.511 -4.456 0.452 721 1HB GLU 88 HB2 GLU 88 13.884 -5.766 -1.855 722 2HB GLU 88 HB1 GLU 88 14.135 -5.998 -0.131 723 1HG GLU 88 HG2 GLU 88 11.984 -7.177 0.005 724 2HG GLU 88 HG1 GLU 88 11.785 -6.979 -1.735 725 H ARG 89 HN ARG 89 12.425 -3.222 -2.853 726 HA ARG 89 HA ARG 89 14.013 -0.996 -2.010 727 1HB ARG 89 HB2 ARG 89 16.053 -1.642 -2.615 728 2HB ARG 89 HB1 ARG 89 15.418 -3.228 -3.001 729 1HG ARG 89 HG2 ARG 89 15.890 -2.930 -5.140 730 2HG ARG 89 HG1 ARG 89 14.916 -1.468 -5.204 731 1HD ARG 89 HD2 ARG 89 17.821 -1.713 -4.462 732 2HD ARG 89 HD1 ARG 89 17.135 -0.901 -5.868 733 HE ARG 89 HE ARG 89 16.256 0.161 -3.337 734 1HH1 ARG 89 1HH1 ARG 89 18.680 0.328 -5.843 735 2HH1 ARG 89 2HH1 ARG 89 19.142 1.952 -5.461 736 1HH2 ARG 89 1HH2 ARG 89 16.864 2.296 -2.833 737 2HH2 ARG 89 2HH2 ARG 89 18.112 3.069 -3.752 738 H TRP 90 HN TRP 90 14.404 0.582 -3.808 739 HA TRP 90 HA TRP 90 12.850 0.242 -6.184 740 1HB TRP 90 HB2 TRP 90 11.118 1.720 -5.839 741 2HB TRP 90 HB1 TRP 90 11.270 0.993 -4.249 742 HD1 TRP 90 HD1 TRP 90 12.495 4.192 -6.081 743 HE1 TRP 90 HE1 TRP 90 12.489 6.114 -4.370 744 HE3 TRP 90 HE3 TRP 90 11.127 1.565 -1.914 745 HZ2 TRP 90 HZ2 TRP 90 11.960 6.471 -1.630 746 HZ3 TRP 90 HZ3 TRP 90 10.882 2.780 0.215 747 HH2 TRP 90 HH2 TRP 90 11.295 5.183 0.352 748 H GLU 91 HN GLU 91 13.916 1.130 -7.798 749 HA GLU 91 HA GLU 91 16.175 2.801 -7.322 750 1HB GLU 91 HB2 GLU 91 14.801 1.724 -9.753 751 2HB GLU 91 HB1 GLU 91 15.992 3.005 -9.937 752 1HG GLU 91 HG2 GLU 91 17.279 1.131 -10.221 753 2HG GLU 91 HG1 GLU 91 17.498 1.450 -8.502 754 H GLY 92 HN GLY 92 16.503 4.961 -7.812 755 1HA GLY 92 HA2 GLY 92 15.935 7.184 -7.905 756 2HA GLY 92 HA1 GLY 92 14.766 6.687 -9.118 757 H GLU 93 HN GLU 93 12.737 7.203 -8.684 758 HA GLU 93 HA GLU 93 11.842 7.195 -5.890 759 1HB GLU 93 HB2 GLU 93 12.390 9.532 -6.983 760 2HB GLU 93 HB1 GLU 93 10.816 9.310 -7.734 761 1HG GLU 93 HG2 GLU 93 9.696 9.631 -5.806 762 2HG GLU 93 HG1 GLU 93 10.936 8.846 -4.828 763 HA PRO 94 HA PRO 94 8.410 4.970 -7.615 764 1HB PRO 94 HB2 PRO 94 6.788 5.636 -5.307 765 2HB PRO 94 HB1 PRO 94 7.564 4.100 -5.699 766 1HG PRO 94 HG2 PRO 94 8.328 5.676 -3.610 767 2HG PRO 94 HG1 PRO 94 9.431 4.581 -4.462 768 1HD PRO 94 HD2 PRO 94 9.078 7.542 -4.778 769 2HD PRO 94 HD1 PRO 94 10.574 6.585 -4.728 770 H TRP 95 HN TRP 95 6.935 5.603 -9.089 771 HA TRP 95 HA TRP 95 5.439 8.055 -8.506 772 1HB TRP 95 HB2 TRP 95 5.557 8.564 -10.992 773 2HB TRP 95 HB1 TRP 95 7.025 8.817 -10.064 774 HD1 TRP 95 HD1 TRP 95 9.067 7.141 -10.537 775 HE1 TRP 95 HE1 TRP 95 9.665 5.716 -12.603 776 HE3 TRP 95 HE3 TRP 95 4.488 7.045 -12.789 777 HZ2 TRP 95 HZ2 TRP 95 8.361 4.715 -14.893 778 HZ3 TRP 95 HZ3 TRP 95 4.246 5.843 -14.921 779 HH2 TRP 95 HH2 TRP 95 6.141 4.690 -15.943 780 H GLY 96 HN GLY 96 5.531 5.500 -10.984 781 1HA GLY 96 HA2 GLY 96 3.791 4.424 -12.061 782 2HA GLY 96 HA1 GLY 96 3.183 4.215 -10.432 783 H LYS 97 HN LYS 97 1.458 5.410 -9.724 784 HA LYS 97 HA LYS 97 0.491 7.772 -10.836 785 1HB LYS 97 HB2 LYS 97 0.116 5.807 -12.663 786 2HB LYS 97 HB1 LYS 97 -1.388 5.685 -11.758 787 1HG LYS 97 HG2 LYS 97 -2.034 7.206 -13.303 788 2HG LYS 97 HG1 LYS 97 -1.362 8.316 -12.107 789 1HD LYS 97 HD2 LYS 97 0.684 8.504 -13.320 790 2HD LYS 97 HD1 LYS 97 0.225 7.192 -14.409 791 1HE LYS 97 HE2 LYS 97 -0.074 9.294 -15.542 792 2HE LYS 97 HE1 LYS 97 -1.654 8.583 -15.222 793 1HZ LYS 97 HZ1 LYS 97 -2.002 10.076 -13.431 794 2HZ LYS 97 HZ2 LYS 97 -1.478 11.005 -14.744 795 3HZ LYS 97 HZ3 LYS 97 -0.408 10.640 -13.487 796 H GLU 98 HN GLU 98 0.762 6.494 -8.277 797 HA GLU 98 HA GLU 98 -1.690 5.575 -7.234 798 1HB GLU 98 HB2 GLU 98 -0.669 6.353 -5.019 799 2HB GLU 98 HB1 GLU 98 0.225 5.147 -5.933 800 1HG GLU 98 HG2 GLU 98 1.283 7.482 -6.881 801 2HG GLU 98 HG1 GLU 98 0.958 7.870 -5.201 802 H GLY 99 HN GLY 99 -0.227 8.817 -7.330 803 1HA GLY 99 HA2 GLY 99 -1.457 10.805 -7.663 804 2HA GLY 99 HA1 GLY 99 -2.909 9.967 -7.144 805 H GLN 100 HN GLN 100 -0.205 9.464 -5.113 806 HA GLN 100 HA GLN 100 -0.938 11.701 -3.372 807 1HB GLN 100 HB2 GLN 100 -1.184 8.792 -2.711 808 2HB GLN 100 HB1 GLN 100 -0.775 9.937 -1.442 809 1HG GLN 100 HG2 GLN 100 -2.811 11.146 -1.790 810 2HG GLN 100 HG1 GLN 100 -3.195 10.176 -3.210 811 1HE2 GLN 100 1HE2 GLN 100 -5.027 9.202 -2.587 812 2HE2 GLN 100 2HE2 GLN 100 -5.176 8.172 -1.209 813 HA PRO 101 HA PRO 101 3.623 11.751 -3.829 814 1HB PRO 101 HB2 PRO 101 2.848 14.044 -2.057 815 2HB PRO 101 HB1 PRO 101 4.082 13.985 -3.324 816 1HG PRO 101 HG2 PRO 101 1.756 15.118 -3.826 817 2HG PRO 101 HG1 PRO 101 2.490 14.047 -5.037 818 1HD PRO 101 HD2 PRO 101 0.194 13.545 -3.204 819 2HD PRO 101 HD1 PRO 101 0.482 12.940 -4.849 820 H GLY 102 HN GLY 102 5.119 10.882 -2.475 821 1HA GLY 102 HA2 GLY 102 4.481 10.762 0.403 822 2HA GLY 102 HA1 GLY 102 4.961 9.310 -0.459 823 H GLU 103 HN GLU 103 6.469 9.761 1.607 824 HA GLU 103 HA GLU 103 8.994 10.691 0.459 825 1HB GLU 103 HB2 GLU 103 7.738 12.425 2.015 826 2HB GLU 103 HB1 GLU 103 8.423 11.433 3.295 827 1HG GLU 103 HG2 GLU 103 10.210 12.741 3.124 828 2HG GLU 103 HG1 GLU 103 10.573 11.837 1.655 829 H TRP 104 HN TRP 104 10.886 9.861 1.588 830 HA TRP 104 HA TRP 104 10.488 7.156 2.450 831 1HB TRP 104 HB2 TRP 104 13.142 8.459 2.843 832 2HB TRP 104 HB1 TRP 104 12.760 6.874 2.182 833 HD1 TRP 104 HD1 TRP 104 10.810 7.941 -0.172 834 HE1 TRP 104 HE1 TRP 104 11.882 9.068 -2.224 835 HE3 TRP 104 HE3 TRP 104 15.307 9.255 1.876 836 HZ2 TRP 104 HZ2 TRP 104 14.311 10.345 -2.886 837 HZ3 TRP 104 HZ3 TRP 104 16.948 10.425 0.467 838 HH2 TRP 104 HH2 TRP 104 16.460 10.957 -1.866 839 H MET 105 HN MET 105 9.662 6.786 4.401 840 HA MET 105 HA MET 105 10.785 8.258 6.695 841 1HB MET 105 HB2 MET 105 8.069 6.986 6.766 842 2HB MET 105 HB1 MET 105 8.708 8.285 7.763 843 1HG MET 105 HG2 MET 105 8.773 9.298 5.180 844 2HG MET 105 HG1 MET 105 7.255 8.409 5.273 845 1HE MET 105 HE1 MET 105 5.339 8.916 6.503 846 2HE MET 105 HE2 MET 105 5.037 10.300 7.553 847 3HE MET 105 HE3 MET 105 5.930 8.909 8.165 848 H SER 106 HN SER 106 10.705 7.036 8.765 849 HA SER 106 HA SER 106 11.751 4.377 8.341 850 1HB SER 106 HB2 SER 106 11.796 4.567 10.998 851 2HB SER 106 HB1 SER 106 12.994 5.384 9.993 852 HG SER 106 HG SER 106 11.414 6.497 11.729 853 H LEU 107 HN LEU 107 10.459 2.669 8.190 854 HA LEU 107 HA LEU 107 7.741 2.704 9.045 855 1HB LEU 107 HB2 LEU 107 9.035 1.305 7.174 856 2HB LEU 107 HB1 LEU 107 9.090 0.123 8.469 857 HG LEU 107 HG LEU 107 7.181 -0.275 7.007 858 1HD1 LEU 107 1HD1 LEU 107 5.576 -0.613 8.663 859 2HD1 LEU 107 2HD1 LEU 107 6.076 0.813 9.571 860 3HD1 LEU 107 3HD1 LEU 107 7.105 -0.618 9.541 861 1HD2 LEU 107 1HD2 LEU 107 5.376 1.312 6.795 862 2HD2 LEU 107 2HD2 LEU 107 6.880 2.068 6.274 863 3HD2 LEU 107 3HD2 LEU 107 6.205 2.450 7.857 864 H VAL 108 HN VAL 108 10.691 1.932 10.596 865 HA VAL 108 HA VAL 108 9.925 -0.026 12.419 866 HB VAL 108 HB VAL 108 12.250 0.690 12.130 867 1HG1 VAL 108 1HG1 VAL 108 12.538 2.912 11.971 868 2HG1 VAL 108 2HG1 VAL 108 12.678 2.842 13.727 869 3HG1 VAL 108 3HG1 VAL 108 11.138 3.270 12.981 870 1HG2 VAL 108 1HG2 VAL 108 11.265 -0.351 14.299 871 2HG2 VAL 108 2HG2 VAL 108 11.602 1.231 14.999 872 3HG2 VAL 108 3HG2 VAL 108 12.913 0.276 14.308 873 H GLY 109 HN GLY 109 8.720 3.123 12.139 874 1HA GLY 109 HA2 GLY 109 7.545 2.917 14.824 875 2HA GLY 109 HA1 GLY 109 8.226 4.436 14.265 876 H LEU 110 HN LEU 110 6.161 1.985 12.735 877 HA LEU 110 HA LEU 110 4.601 3.826 11.296 878 1HB LEU 110 HB2 LEU 110 4.908 1.206 11.141 879 2HB LEU 110 HB1 LEU 110 3.491 1.193 12.166 880 HG LEU 110 HG LEU 110 2.641 0.951 10.003 881 1HD1 LEU 110 1HD1 LEU 110 1.696 2.894 11.415 882 2HD1 LEU 110 2HD1 LEU 110 1.237 2.767 9.718 883 3HD1 LEU 110 3HD1 LEU 110 2.468 3.927 10.213 884 1HD2 LEU 110 1HD2 LEU 110 3.381 2.798 8.262 885 2HD2 LEU 110 2HD2 LEU 110 4.304 1.313 8.495 886 3HD2 LEU 110 3HD2 LEU 110 4.833 2.808 9.265 887 H ASN 111 HN ASN 111 2.780 4.965 11.816 888 HA ASN 111 HA ASN 111 1.793 4.645 14.558 889 1HB ASN 111 HB2 ASN 111 2.610 6.953 13.061 890 2HB ASN 111 HB1 ASN 111 0.930 7.123 13.552 891 1HD2 ASN 111 1HD2 ASN 111 3.151 8.661 14.465 892 2HD2 ASN 111 2HD2 ASN 111 3.284 8.407 16.169 893 H ALA 112 HN ALA 112 -0.129 3.881 14.860 894 HA ALA 112 HA ALA 112 -1.935 3.411 12.710 895 1HB ALA 112 HB1 ALA 112 -1.563 2.307 15.200 896 2HB ALA 112 HB2 ALA 112 -2.899 1.955 14.102 897 3HB ALA 112 HB3 ALA 112 -3.094 3.167 15.371 898 H ASP 113 HN ASP 113 -1.350 6.078 14.734 899 HA ASP 113 HA ASP 113 -4.018 7.112 14.823 900 1HB ASP 113 HB2 ASP 113 -2.279 7.672 16.510 901 2HB ASP 113 HB1 ASP 113 -1.406 8.570 15.272 902 H ASP 114 HN ASP 114 -1.106 7.954 12.936 903 HA ASP 114 HA ASP 114 -2.423 9.962 11.417 904 1HB ASP 114 HB2 ASP 114 -0.242 9.036 9.895 905 2HB ASP 114 HB1 ASP 114 -0.310 10.465 10.912 906 H PHE 115 HN PHE 115 -2.119 6.524 11.092 907 HA PHE 115 HA PHE 115 -3.126 6.589 8.353 908 1HB PHE 115 HB2 PHE 115 -2.093 4.599 8.099 909 2HB PHE 115 HB1 PHE 115 -1.346 4.910 9.667 910 HD1 PHE 115 HD1 PHE 115 -3.274 4.392 11.600 911 HD2 PHE 115 HD2 PHE 115 -2.736 2.407 7.894 912 HE1 PHE 115 HE1 PHE 115 -4.326 2.385 12.544 913 HE2 PHE 115 HE2 PHE 115 -3.791 0.388 8.821 914 HZ PHE 115 HZ PHE 115 -4.586 0.383 11.150 915 HA PRO 116 HA PRO 116 -7.326 5.622 9.312 916 1HB PRO 116 HB2 PRO 116 -7.933 3.425 7.817 917 2HB PRO 116 HB1 PRO 116 -7.745 5.043 7.131 918 1HG PRO 116 HG2 PRO 116 -5.789 2.780 7.209 919 2HG PRO 116 HG1 PRO 116 -6.164 3.890 5.878 920 1HD PRO 116 HD2 PRO 116 -3.977 4.191 7.432 921 2HD PRO 116 HD1 PRO 116 -4.850 5.577 6.748 922 HA PRO 117 HA PRO 117 -6.918 2.676 12.682 923 1HB PRO 117 HB2 PRO 117 -9.447 2.974 13.665 924 2HB PRO 117 HB1 PRO 117 -8.130 4.106 13.990 925 1HG PRO 117 HG2 PRO 117 -10.341 4.295 11.978 926 2HG PRO 117 HG1 PRO 117 -9.687 5.553 13.046 927 1HD PRO 117 HD2 PRO 117 -9.005 5.398 10.446 928 2HD PRO 117 HD1 PRO 117 -7.853 5.929 11.688 929 H ALA 118 HN ALA 118 -9.134 2.499 10.056 930 HA ALA 118 HA ALA 118 -10.371 0.036 10.845 931 1HB ALA 118 HB1 ALA 118 -10.503 1.817 8.485 932 2HB ALA 118 HB2 ALA 118 -11.801 1.144 9.471 933 3HB ALA 118 HB3 ALA 118 -10.992 0.136 8.272 934 H ASN 119 HN ASN 119 -7.354 0.770 9.627 935 HA ASN 119 HA ASN 119 -7.078 -1.896 8.410 936 1HB ASN 119 HB2 ASN 119 -6.048 0.781 7.742 937 2HB ASN 119 HB1 ASN 119 -4.895 -0.537 7.548 938 1HD2 ASN 119 1HD2 ASN 119 -8.360 -0.043 6.947 939 2HD2 ASN 119 2HD2 ASN 119 -8.341 -0.639 5.326 940 H GLU 120 HN GLU 120 -6.869 -1.203 11.288 941 HA GLU 120 HA GLU 120 -4.147 -1.151 12.042 942 1HB GLU 120 HB2 GLU 120 -4.985 -0.798 14.070 943 2HB GLU 120 HB1 GLU 120 -6.556 -0.781 13.305 944 1HG GLU 120 HG2 GLU 120 -6.873 -2.243 15.051 945 2HG GLU 120 HG1 GLU 120 -6.516 -3.338 13.717 946 HA PRO 121 HA PRO 121 -5.070 -5.993 12.710 947 1HB PRO 121 HB2 PRO 121 -6.097 -6.306 9.928 948 2HB PRO 121 HB1 PRO 121 -6.521 -7.200 11.390 949 1HG PRO 121 HG2 PRO 121 -8.169 -5.357 10.414 950 2HG PRO 121 HG1 PRO 121 -7.935 -5.528 12.164 951 1HD PRO 121 HD2 PRO 121 -6.865 -3.458 10.301 952 2HD PRO 121 HD1 PRO 121 -7.393 -3.295 11.987 953 H VAL 122 HN VAL 122 -4.359 -4.685 9.465 954 HA VAL 122 HA VAL 122 -2.222 -6.549 9.037 955 HB VAL 122 HB VAL 122 -2.480 -4.042 7.427 956 1HG1 VAL 122 1HG1 VAL 122 -2.209 -6.287 5.803 957 2HG1 VAL 122 2HG1 VAL 122 -1.194 -6.615 7.205 958 3HG1 VAL 122 3HG1 VAL 122 -0.943 -5.149 6.263 959 1HG2 VAL 122 1HG2 VAL 122 -4.094 -5.912 6.146 960 2HG2 VAL 122 2HG2 VAL 122 -4.618 -4.429 6.944 961 3HG2 VAL 122 3HG2 VAL 122 -4.609 -5.953 7.831 962 H ILE 123 HN ILE 123 -2.377 -3.031 9.560 963 HA ILE 123 HA ILE 123 0.414 -2.666 9.629 964 HB ILE 123 HB ILE 123 -1.835 -0.974 10.708 965 1HG1 ILE 123 2HG1 ILE 123 -0.786 -1.403 8.129 966 2HG1 ILE 123 1HG1 ILE 123 -1.928 -0.161 8.617 967 1HG2 ILE 123 1HG2 ILE 123 1.121 -0.386 10.680 968 2HG2 ILE 123 2HG2 ILE 123 0.071 -0.501 12.092 969 3HG2 ILE 123 3HG2 ILE 123 -0.132 0.825 10.947 970 1HD1 ILE 123 1HD1 ILE 123 1.068 0.083 8.525 971 2HD1 ILE 123 2HD1 ILE 123 -0.029 1.330 9.126 972 3HD1 ILE 123 3HD1 ILE 123 -0.094 0.837 7.433 973 H ALA 124 HN ALA 124 -1.888 -3.632 12.076 974 HA ALA 124 HA ALA 124 -0.440 -3.056 14.384 975 1HB ALA 124 HB1 ALA 124 -2.576 -3.810 14.823 976 2HB ALA 124 HB2 ALA 124 -1.611 -5.225 15.244 977 3HB ALA 124 HB3 ALA 124 -2.448 -5.158 13.693 978 H LYS 125 HN LYS 125 -0.085 -5.617 12.032 979 HA LYS 125 HA LYS 125 1.806 -7.123 13.599 980 1HB LYS 125 HB2 LYS 125 0.359 -8.203 11.930 981 2HB LYS 125 HB1 LYS 125 1.151 -7.291 10.653 982 1HG LYS 125 HG2 LYS 125 2.362 -9.177 10.459 983 2HG LYS 125 HG1 LYS 125 3.298 -8.445 11.764 984 1HD LYS 125 HD2 LYS 125 1.496 -9.680 13.258 985 2HD LYS 125 HD1 LYS 125 1.381 -10.719 11.836 986 1HE LYS 125 HE2 LYS 125 3.912 -10.069 13.343 987 2HE LYS 125 HE1 LYS 125 3.002 -11.574 13.465 988 1HZ LYS 125 HZ1 LYS 125 3.385 -11.456 10.843 989 2HZ LYS 125 HZ2 LYS 125 4.467 -12.215 11.898 990 3HZ LYS 125 HZ3 LYS 125 4.776 -10.642 11.359 991 H LEU 126 HN LEU 126 2.049 -4.992 10.760 992 HA LEU 126 HA LEU 126 4.912 -5.158 10.669 993 1HB LEU 126 HB2 LEU 126 3.200 -4.685 8.757 994 2HB LEU 126 HB1 LEU 126 3.331 -3.022 9.296 995 HG LEU 126 HG LEU 126 5.930 -3.526 9.039 996 1HD1 LEU 126 1HD1 LEU 126 5.031 -5.921 8.227 997 2HD1 LEU 126 2HD1 LEU 126 6.530 -5.196 7.646 998 3HD1 LEU 126 3HD1 LEU 126 5.057 -5.070 6.683 999 1HD2 LEU 126 1HD2 LEU 126 4.291 -1.896 7.828 1000 2HD2 LEU 126 2HD2 LEU 126 4.423 -3.055 6.505 1001 3HD2 LEU 126 3HD2 LEU 126 5.868 -2.252 7.122 1002 H LYS 127 HN LYS 127 2.645 -3.226 12.354 1003 HA LYS 127 HA LYS 127 4.412 -0.975 12.756 1004 1HB LYS 127 HB2 LYS 127 1.984 -0.700 12.649 1005 2HB LYS 127 HB1 LYS 127 1.795 -1.689 14.083 1006 1HG LYS 127 HG2 LYS 127 2.750 -0.069 15.468 1007 2HG LYS 127 HG1 LYS 127 3.438 0.816 14.106 1008 1HD LYS 127 HD2 LYS 127 1.525 2.019 14.963 1009 2HD LYS 127 HD1 LYS 127 1.146 1.378 13.362 1010 1HE LYS 127 HE2 LYS 127 -0.736 0.681 14.394 1011 2HE LYS 127 HE1 LYS 127 0.293 -0.662 14.891 1012 1HZ LYS 127 HZ1 LYS 127 0.682 0.390 16.983 1013 2HZ LYS 127 HZ2 LYS 127 -0.989 0.351 16.727 1014 3HZ LYS 127 HZ3 LYS 127 -0.134 1.792 16.504 1015 H ARG 128 HN ARG 128 3.184 -3.719 14.606 1016 HA ARG 128 HA ARG 128 4.437 -3.073 17.049 1017 1HB ARG 128 HB2 ARG 128 2.611 -4.711 16.879 1018 2HB ARG 128 HB1 ARG 128 3.652 -5.780 15.949 1019 1HG ARG 128 HG2 ARG 128 5.148 -5.985 17.882 1020 2HG ARG 128 HG1 ARG 128 4.067 -4.946 18.812 1021 1HD ARG 128 HD2 ARG 128 2.339 -6.827 17.875 1022 2HD ARG 128 HD1 ARG 128 3.808 -7.778 18.083 1023 HE ARG 128 HE ARG 128 3.157 -6.131 20.350 1024 1HH1 ARG 128 1HH1 ARG 128 2.636 -9.218 18.806 1025 2HH1 ARG 128 2HH1 ARG 128 2.200 -10.021 20.278 1026 1HH2 ARG 128 1HH2 ARG 128 2.583 -7.186 22.285 1027 2HH2 ARG 128 2HH2 ARG 128 2.169 -8.867 22.252 1028 H LEU 129 HN LEU 129 5.714 -3.956 14.068 1029 HA LEU 129 HA LEU 129 7.802 -5.671 14.565 1030 1HB LEU 129 HB2 LEU 129 8.357 -5.160 12.476 1031 2HB LEU 129 HB1 LEU 129 7.045 -4.003 12.496 1032 HG LEU 129 HG LEU 129 9.882 -3.352 13.262 1033 1HD1 LEU 129 1HD1 LEU 129 10.037 -3.815 10.986 1034 2HD1 LEU 129 2HD1 LEU 129 9.761 -2.073 11.034 1035 3HD1 LEU 129 3HD1 LEU 129 8.432 -3.167 10.648 1036 1HD2 LEU 129 1HD2 LEU 129 7.578 -2.002 13.876 1037 2HD2 LEU 129 2HD2 LEU 129 8.097 -1.211 12.389 1038 3HD2 LEU 129 3HD2 LEU 129 9.186 -1.287 13.774 1039 1HO1 MO2 130 1HO1 MO2 130 -5.208 4.224 -7.936 1040 2HO1 MO2 130 2HO1 MO2 130 -6.443 3.363 -10.542 1041 1HO2 MO2 130 1HO2 MO2 130 -3.718 4.479 -7.959 1042 2HO2 MO2 130 2HO2 MO2 130 -5.777 2.684 -11.717 1043 1H5* 8OG 131 1H5* 8OG 131 -11.855 3.525 -2.922 1044 2H5* 8OG 131 2H5* 8OG 131 -11.838 3.859 -1.217 1045 H4* 8OG 131 1H4* 8OG 131 -9.784 2.352 -2.818 1046 H3* 8OG 131 1H3* 8OG 131 -12.105 1.424 -1.487 1047 1H2* 8OG 131 1H2* 8OG 131 -11.316 0.556 0.417 1048 2H2* 8OG 131 2H2* 8OG 131 -10.112 -0.349 -0.472 1049 H1* 8OG 131 1H1* 8OG 131 -8.506 1.032 0.166 1050 H1 8OG 131 H1 8OG 131 -6.307 1.675 5.660 1051 H7 8OG 131 H7 8OG 131 -10.953 2.847 4.275 1052 1H2 8OG 131 H21 8OG 131 -4.720 0.610 2.730 1053 2H2 8OG 131 H22 8OG 131 -4.574 0.893 4.432 1054 H3T 8OG 131 *HO1 8OG 131 -11.484 -0.552 -2.501 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -25.167 -6.273 -4.678 2 2H MET 1 HT2 MET 1 -24.798 -5.215 -3.378 3 3H MET 1 HT3 MET 1 -25.775 -6.600 -3.108 4 HA MET 1 HA MET 1 -23.512 -6.846 -2.314 5 1HB MET 1 HB2 MET 1 -24.861 -8.555 -4.331 6 2HB MET 1 HB1 MET 1 -23.200 -8.974 -3.935 7 1HG MET 1 HG2 MET 1 -24.295 -10.238 -2.402 8 2HG MET 1 HG1 MET 1 -24.083 -8.757 -1.469 9 1HE MET 1 HE1 MET 1 -27.562 -9.959 -0.250 10 2HE MET 1 HE2 MET 1 -25.829 -9.892 0.072 11 3HE MET 1 HE3 MET 1 -26.487 -11.165 -0.956 12 H LYS 2 HN LYS 2 -22.069 -5.178 -2.892 13 HA LYS 2 HA LYS 2 -20.706 -5.536 -5.476 14 1HB LYS 2 HB2 LYS 2 -19.838 -3.198 -5.044 15 2HB LYS 2 HB1 LYS 2 -21.563 -3.329 -5.358 16 1HG LYS 2 HG2 LYS 2 -22.006 -3.185 -2.955 17 2HG LYS 2 HG1 LYS 2 -20.274 -3.033 -2.653 18 1HD LYS 2 HD2 LYS 2 -20.176 -0.938 -3.762 19 2HD LYS 2 HD1 LYS 2 -21.800 -1.137 -4.425 20 1HE LYS 2 HE2 LYS 2 -22.304 -1.344 -1.773 21 2HE LYS 2 HE1 LYS 2 -20.933 -0.234 -1.760 22 1HZ LYS 2 HZ1 LYS 2 -23.350 0.660 -1.988 23 2HZ LYS 2 HZ2 LYS 2 -23.151 0.263 -3.620 24 3HZ LYS 2 HZ3 LYS 2 -22.099 1.364 -2.885 25 H LYS 3 HN LYS 3 -18.461 -5.615 -5.563 26 HA LYS 3 HA LYS 3 -17.052 -5.871 -2.996 27 1HB LYS 3 HB2 LYS 3 -16.501 -7.704 -5.319 28 2HB LYS 3 HB1 LYS 3 -15.962 -7.866 -3.654 29 1HG LYS 3 HG2 LYS 3 -18.320 -8.240 -2.981 30 2HG LYS 3 HG1 LYS 3 -18.767 -8.215 -4.688 31 1HD LYS 3 HD2 LYS 3 -16.593 -10.052 -3.809 32 2HD LYS 3 HD1 LYS 3 -18.264 -10.481 -3.436 33 1HE LYS 3 HE2 LYS 3 -18.774 -10.905 -5.592 34 2HE LYS 3 HE1 LYS 3 -17.773 -9.586 -6.196 35 1HZ LYS 3 HZ1 LYS 3 -16.671 -11.456 -6.934 36 2HZ LYS 3 HZ2 LYS 3 -16.993 -12.349 -5.534 37 3HZ LYS 3 HZ3 LYS 3 -15.837 -11.114 -5.502 38 H LEU 4 HN LEU 4 -14.844 -5.325 -3.033 39 HA LEU 4 HA LEU 4 -13.732 -4.310 -5.529 40 1HB LEU 4 HB2 LEU 4 -13.179 -2.147 -4.600 41 2HB LEU 4 HB1 LEU 4 -14.913 -2.405 -4.540 42 HG LEU 4 HG LEU 4 -14.431 -3.190 -2.089 43 1HD1 LEU 4 1HD1 LEU 4 -12.450 -1.284 -1.591 44 2HD1 LEU 4 2HD1 LEU 4 -11.854 -2.240 -2.948 45 3HD1 LEU 4 3HD1 LEU 4 -12.314 -3.035 -1.442 46 1HD2 LEU 4 1HD2 LEU 4 -14.845 -0.540 -3.285 47 2HD2 LEU 4 2HD2 LEU 4 -14.288 -0.525 -1.612 48 3HD2 LEU 4 3HD2 LEU 4 -15.767 -1.383 -2.041 49 H GLN 5 HN GLN 5 -11.607 -4.683 -5.695 50 HA GLN 5 HA GLN 5 -10.227 -5.745 -3.346 51 1HB GLN 5 HB2 GLN 5 -9.436 -5.963 -6.246 52 2HB GLN 5 HB1 GLN 5 -8.691 -6.795 -4.890 53 1HG GLN 5 HG2 GLN 5 -11.038 -7.760 -4.484 54 2HG GLN 5 HG1 GLN 5 -11.365 -7.233 -6.127 55 1HE2 GLN 5 1HE2 GLN 5 -10.877 -9.899 -4.604 56 2HE2 GLN 5 2HE2 GLN 5 -9.847 -10.769 -5.684 57 H ILE 6 HN ILE 6 -8.077 -5.181 -2.908 58 HA ILE 6 HA ILE 6 -6.962 -2.817 -4.185 59 HB ILE 6 HB ILE 6 -7.653 -2.969 -1.249 60 1HG1 ILE 6 2HG1 ILE 6 -9.337 -2.141 -3.002 61 2HG1 ILE 6 1HG1 ILE 6 -9.028 -1.098 -1.623 62 1HG2 ILE 6 1HG2 ILE 6 -6.518 -0.494 -1.673 63 2HG2 ILE 6 2HG2 ILE 6 -5.467 -1.590 -2.571 64 3HG2 ILE 6 3HG2 ILE 6 -5.761 -1.862 -0.855 65 1HD1 ILE 6 1HD1 ILE 6 -7.242 -0.526 -3.822 66 2HD1 ILE 6 2HD1 ILE 6 -8.313 0.548 -2.923 67 3HD1 ILE 6 3HD1 ILE 6 -8.938 -0.384 -4.284 68 H ALA 7 HN ALA 7 -4.792 -3.009 -4.371 69 HA ALA 7 HA ALA 7 -3.435 -4.953 -2.607 70 1HB ALA 7 HB1 ALA 7 -3.464 -4.763 -5.554 71 2HB ALA 7 HB2 ALA 7 -3.237 -6.165 -4.510 72 3HB ALA 7 HB3 ALA 7 -1.894 -5.064 -4.811 73 H VAL 8 HN VAL 8 -1.822 -4.046 -1.462 74 HA VAL 8 HA VAL 8 -0.626 -1.587 -2.548 75 HB VAL 8 HB VAL 8 -1.083 -0.462 -0.696 76 1HG1 VAL 8 1HG1 VAL 8 -2.416 -2.947 0.364 77 2HG1 VAL 8 2HG1 VAL 8 -3.147 -1.804 -0.762 78 3HG1 VAL 8 3HG1 VAL 8 -2.722 -1.286 0.869 79 1HG2 VAL 8 1HG2 VAL 8 0.137 -2.758 0.832 80 2HG2 VAL 8 2HG2 VAL 8 -0.377 -1.241 1.569 81 3HG2 VAL 8 3HG2 VAL 8 0.914 -1.244 0.369 82 H GLY 9 HN GLY 9 1.560 -1.098 -1.768 83 1HA GLY 9 HA2 GLY 9 3.102 -3.437 -0.933 84 2HA GLY 9 HA1 GLY 9 3.497 -2.720 -2.483 85 H ILE 10 HN ILE 10 4.102 -2.680 0.800 86 HA ILE 10 HA ILE 10 4.903 0.046 1.150 87 HB ILE 10 HB ILE 10 4.378 -1.256 3.104 88 1HG1 ILE 10 2HG1 ILE 10 6.826 -1.326 4.206 89 2HG1 ILE 10 1HG1 ILE 10 7.186 -0.340 2.798 90 1HG2 ILE 10 1HG2 ILE 10 4.710 -3.446 3.019 91 2HG2 ILE 10 2HG2 ILE 10 6.387 -3.128 3.462 92 3HG2 ILE 10 3HG2 ILE 10 5.937 -3.287 1.764 93 1HD1 ILE 10 1HD1 ILE 10 5.286 0.226 5.038 94 2HD1 ILE 10 2HD1 ILE 10 5.214 1.098 3.507 95 3HD1 ILE 10 3HD1 ILE 10 6.670 1.174 4.497 96 H ILE 11 HN ILE 11 6.365 0.730 -0.390 97 HA ILE 11 HA ILE 11 8.440 -0.902 -1.385 98 HB ILE 11 HB ILE 11 9.287 1.541 -2.069 99 1HG1 ILE 11 2HG1 ILE 11 6.339 1.950 -2.194 100 2HG1 ILE 11 1HG1 ILE 11 7.203 2.387 -0.721 101 1HG2 ILE 11 1HG2 ILE 11 7.180 -0.176 -3.326 102 2HG2 ILE 11 2HG2 ILE 11 8.906 -0.122 -3.685 103 3HG2 ILE 11 3HG2 ILE 11 7.869 1.231 -4.136 104 1HD1 ILE 11 1HD1 ILE 11 7.650 4.324 -1.670 105 2HD1 ILE 11 2HD1 ILE 11 7.043 3.774 -3.233 106 3HD1 ILE 11 3HD1 ILE 11 8.719 3.462 -2.775 107 H ARG 12 HN ARG 12 10.270 -1.418 -0.502 108 HA ARG 12 HA ARG 12 11.251 -0.046 1.836 109 1HB ARG 12 HB2 ARG 12 11.739 -2.613 0.510 110 2HB ARG 12 HB1 ARG 12 13.185 -1.880 1.186 111 1HG ARG 12 HG2 ARG 12 10.918 -1.796 3.007 112 2HG ARG 12 HG1 ARG 12 11.379 -3.433 2.542 113 1HD ARG 12 HD2 ARG 12 13.806 -2.446 3.029 114 2HD ARG 12 HD1 ARG 12 12.872 -1.404 4.100 115 HE ARG 12 HE ARG 12 11.969 -3.870 4.721 116 1HH1 ARG 12 1HH1 ARG 12 15.175 -2.513 4.475 117 2HH1 ARG 12 2HH1 ARG 12 15.846 -3.561 5.679 118 1HH2 ARG 12 1HH2 ARG 12 12.851 -5.249 6.305 119 2HH2 ARG 12 2HH2 ARG 12 14.528 -5.114 6.718 120 H ASN 13 HN ASN 13 12.641 1.514 1.859 121 HA ASN 13 HA ASN 13 13.811 2.600 -0.477 122 1HB ASN 13 HB2 ASN 13 13.187 4.051 1.296 123 2HB ASN 13 HB1 ASN 13 14.190 3.182 2.423 124 1HD2 ASN 13 1HD2 ASN 13 14.057 5.580 -0.028 125 2HD2 ASN 13 2HD2 ASN 13 15.677 6.152 0.141 126 H GLU 14 HN GLU 14 16.167 3.325 -0.275 127 HA GLU 14 HA GLU 14 17.824 1.202 -0.862 128 1HB GLU 14 HB2 GLU 14 18.415 3.330 -1.676 129 2HB GLU 14 HB1 GLU 14 18.354 4.049 -0.071 130 1HG GLU 14 HG2 GLU 14 20.352 1.906 -0.547 131 2HG GLU 14 HG1 GLU 14 20.633 3.475 -1.301 132 H ASN 15 HN ASN 15 16.945 2.392 2.222 133 HA ASN 15 HA ASN 15 19.051 0.738 3.448 134 1HB ASN 15 HB2 ASN 15 19.426 3.079 3.968 135 2HB ASN 15 HB1 ASN 15 17.768 3.256 4.532 136 1HD2 ASN 15 1HD2 ASN 15 17.963 3.657 6.630 137 2HD2 ASN 15 2HD2 ASN 15 18.829 2.679 7.762 138 H ASN 16 HN ASN 16 16.206 2.220 4.945 139 HA ASN 16 HA ASN 16 14.828 -0.311 5.129 140 1HB ASN 16 HB2 ASN 16 16.612 0.469 7.196 141 2HB ASN 16 HB1 ASN 16 14.972 0.577 7.822 142 1HD2 ASN 16 1HD2 ASN 16 13.592 -1.331 7.476 143 2HD2 ASN 16 2HD2 ASN 16 14.326 -2.893 7.569 144 H GLU 17 HN GLU 17 14.549 2.728 4.447 145 HA GLU 17 HA GLU 17 12.135 3.262 6.024 146 1HB GLU 17 HB2 GLU 17 12.287 5.554 5.142 147 2HB GLU 17 HB1 GLU 17 13.767 5.082 5.965 148 1HG GLU 17 HG2 GLU 17 14.759 4.565 3.743 149 2HG GLU 17 HG1 GLU 17 13.305 5.229 2.999 150 H ILE 18 HN ILE 18 10.219 4.082 4.819 151 HA ILE 18 HA ILE 18 10.137 3.147 2.039 152 HB ILE 18 HB ILE 18 8.195 2.351 4.193 153 1HG1 ILE 18 2HG1 ILE 18 9.193 0.219 2.529 154 2HG1 ILE 18 1HG1 ILE 18 10.529 1.123 3.234 155 1HG2 ILE 18 1HG2 ILE 18 7.536 1.030 1.812 156 2HG2 ILE 18 2HG2 ILE 18 7.742 2.722 1.380 157 3HG2 ILE 18 3HG2 ILE 18 6.600 2.269 2.642 158 1HD1 ILE 18 1HD1 ILE 18 10.176 0.250 5.244 159 2HD1 ILE 18 2HD1 ILE 18 9.127 -0.909 4.429 160 3HD1 ILE 18 3HD1 ILE 18 8.439 0.541 5.159 161 H PHE 19 HN PHE 19 8.814 4.265 0.690 162 HA PHE 19 HA PHE 19 7.737 6.756 1.717 163 1HB PHE 19 HB2 PHE 19 8.604 7.405 -0.263 164 2HB PHE 19 HB1 PHE 19 8.661 5.762 -0.875 165 HD1 PHE 19 HD1 PHE 19 7.842 5.896 -3.029 166 HD2 PHE 19 HD2 PHE 19 5.712 7.834 0.103 167 HE1 PHE 19 HE1 PHE 19 6.024 6.419 -4.597 168 HE2 PHE 19 HE2 PHE 19 3.886 8.358 -1.462 169 HZ PHE 19 HZ PHE 19 4.041 7.650 -3.815 170 H ILE 20 HN ILE 20 5.786 6.769 2.529 171 HA ILE 20 HA ILE 20 3.746 4.957 1.414 172 HB ILE 20 HB ILE 20 2.961 6.153 3.929 173 1HG1 ILE 20 2HG1 ILE 20 5.448 6.154 4.293 174 2HG1 ILE 20 1HG1 ILE 20 4.546 5.165 5.433 175 1HG2 ILE 20 1HG2 ILE 20 1.867 4.234 4.024 176 2HG2 ILE 20 2HG2 ILE 20 3.376 3.324 4.057 177 3HG2 ILE 20 3HG2 ILE 20 2.641 3.755 2.513 178 1HD1 ILE 20 1HD1 ILE 20 5.102 3.198 3.941 179 2HD1 ILE 20 2HD1 ILE 20 6.431 3.908 4.858 180 3HD1 ILE 20 3HD1 ILE 20 6.252 4.269 3.141 181 H THR 21 HN THR 21 2.237 5.941 0.212 182 HA THR 21 HA THR 21 2.016 8.795 0.164 183 HB THR 21 HB THR 21 1.662 7.833 -1.928 184 HG1 THR 21 HG1 THR 21 -0.168 8.758 -2.400 185 1HG2 THR 21 1HG2 THR 21 0.406 5.670 -0.465 186 2HG2 THR 21 2HG2 THR 21 1.165 5.674 -2.057 187 3HG2 THR 21 3HG2 THR 21 -0.523 6.156 -1.884 188 H ARG 22 HN ARG 22 1.021 9.887 1.694 189 HA ARG 22 HA ARG 22 -1.199 8.674 3.150 190 1HB ARG 22 HB2 ARG 22 -0.891 10.419 4.775 191 2HB ARG 22 HB1 ARG 22 0.686 9.750 4.377 192 1HG ARG 22 HG2 ARG 22 0.312 11.871 2.598 193 2HG ARG 22 HG1 ARG 22 -0.261 12.454 4.162 194 1HD ARG 22 HD2 ARG 22 1.857 11.760 5.186 195 2HD ARG 22 HD1 ARG 22 2.427 11.198 3.616 196 HE ARG 22 HE ARG 22 1.729 13.838 3.260 197 1HH1 ARG 22 1HH1 ARG 22 3.975 12.066 5.259 198 2HH1 ARG 22 2HH1 ARG 22 5.120 13.363 5.339 199 1HH2 ARG 22 1HH2 ARG 22 3.234 15.544 3.364 200 2HH2 ARG 22 2HH2 ARG 22 4.700 15.338 4.264 201 H ARG 23 HN ARG 23 -2.968 10.320 3.800 202 HA ARG 23 HA ARG 23 -4.433 10.987 1.542 203 1HB ARG 23 HB2 ARG 23 -4.624 11.600 4.424 204 2HB ARG 23 HB1 ARG 23 -5.518 12.669 3.352 205 1HG ARG 23 HG2 ARG 23 -5.850 9.800 2.814 206 2HG ARG 23 HG1 ARG 23 -6.488 10.361 4.360 207 1HD ARG 23 HD2 ARG 23 -8.313 10.883 3.160 208 2HD ARG 23 HD1 ARG 23 -7.381 12.304 2.692 209 HE ARG 23 HE ARG 23 -7.195 11.449 0.575 210 1HH1 ARG 23 1HH1 ARG 23 -8.303 8.933 2.724 211 2HH1 ARG 23 2HH1 ARG 23 -8.641 7.816 1.445 212 1HH2 ARG 23 1HH2 ARG 23 -7.640 9.982 -1.110 213 2HH2 ARG 23 2HH2 ARG 23 -8.265 8.411 -0.732 214 H ALA 24 HN ALA 24 -1.842 12.657 2.961 215 HA ALA 24 HA ALA 24 -0.721 14.543 2.378 216 1HB ALA 24 HB1 ALA 24 -0.621 14.454 0.148 217 2HB ALA 24 HB2 ALA 24 -1.930 15.636 0.161 218 3HB ALA 24 HB3 ALA 24 -2.296 13.917 0.008 219 H ALA 25 HN ALA 25 -3.853 15.586 1.089 220 HA ALA 25 HA ALA 25 -4.773 16.945 3.361 221 1HB ALA 25 HB1 ALA 25 -4.281 19.309 2.376 222 2HB ALA 25 HB2 ALA 25 -2.931 18.490 1.590 223 3HB ALA 25 HB3 ALA 25 -3.060 18.487 3.348 224 H ASP 26 HN ASP 26 -6.691 16.042 2.536 225 HA ASP 26 HA ASP 26 -7.752 17.367 0.128 226 1HB ASP 26 HB2 ASP 26 -9.282 15.427 -0.074 227 2HB ASP 26 HB1 ASP 26 -7.586 14.961 -0.174 228 H ALA 27 HN ALA 27 -8.431 16.402 3.442 229 HA ALA 27 HA ALA 27 -10.157 18.602 3.886 230 1HB ALA 27 HB1 ALA 27 -11.700 16.065 4.097 231 2HB ALA 27 HB2 ALA 27 -11.525 16.819 2.512 232 3HB ALA 27 HB3 ALA 27 -12.266 17.715 3.838 233 H HIS 28 HN HIS 28 -8.000 17.945 5.269 234 HA HIS 28 HA HIS 28 -7.197 17.573 7.363 235 1HB HIS 28 HB2 HIS 28 -9.641 18.722 7.732 236 2HB HIS 28 HB1 HIS 28 -9.837 17.222 8.632 237 HD1 HIS 28 HD1 HIS 28 -6.601 19.149 8.458 238 HD2 HIS 28 HD2 HIS 28 -9.655 18.323 11.152 239 HE1 HIS 28 HE1 HIS 28 -5.794 20.018 10.676 240 HE2 HIS 28 HE2 HIS 28 -7.624 19.432 12.306 241 H MET 29 HN MET 29 -7.784 15.330 5.595 242 HA MET 29 HA MET 29 -8.390 13.212 7.541 243 1HB MET 29 HB2 MET 29 -9.445 13.578 5.066 244 2HB MET 29 HB1 MET 29 -8.106 12.503 4.688 245 1HG MET 29 HG2 MET 29 -9.068 10.736 5.681 246 2HG MET 29 HG1 MET 29 -9.735 11.702 6.995 247 1HE MET 29 HE1 MET 29 -10.127 12.088 3.091 248 2HE MET 29 HE2 MET 29 -11.657 11.253 2.824 249 3HE MET 29 HE3 MET 29 -10.240 10.349 3.361 250 H ALA 30 HN ALA 30 -5.899 14.451 7.702 251 HA ALA 30 HA ALA 30 -3.894 13.039 6.259 252 1HB ALA 30 HB1 ALA 30 -2.317 14.129 7.728 253 2HB ALA 30 HB2 ALA 30 -3.614 14.577 8.836 254 3HB ALA 30 HB3 ALA 30 -3.550 15.282 7.219 255 H ASN 31 HN ASN 31 -5.898 12.057 8.770 256 HA ASN 31 HA ASN 31 -3.965 10.326 10.057 257 1HB ASN 31 HB2 ASN 31 -6.593 11.367 10.673 258 2HB ASN 31 HB1 ASN 31 -6.532 9.628 10.932 259 1HD2 ASN 31 1HD2 ASN 31 -3.936 11.984 11.286 260 2HD2 ASN 31 2HD2 ASN 31 -3.697 11.735 12.979 261 H LYS 32 HN LYS 32 -5.015 10.035 7.142 262 HA LYS 32 HA LYS 32 -5.789 7.213 7.380 263 1HB LYS 32 HB2 LYS 32 -7.025 9.307 5.945 264 2HB LYS 32 HB1 LYS 32 -6.294 8.242 4.751 265 1HG LYS 32 HG2 LYS 32 -7.657 6.488 5.271 266 2HG LYS 32 HG1 LYS 32 -7.890 7.019 6.937 267 1HD LYS 32 HD2 LYS 32 -8.935 8.885 4.941 268 2HD LYS 32 HD1 LYS 32 -9.711 7.301 4.911 269 1HE LYS 32 HE2 LYS 32 -9.702 7.718 7.550 270 2HE LYS 32 HE1 LYS 32 -9.733 9.396 7.005 271 1HZ LYS 32 HZ1 LYS 32 -11.607 7.563 5.730 272 2HZ LYS 32 HZ2 LYS 32 -11.809 9.182 6.174 273 3HZ LYS 32 HZ3 LYS 32 -11.922 7.964 7.343 274 H LEU 33 HN LEU 33 -3.112 8.379 7.362 275 HA LEU 33 HA LEU 33 -1.695 8.188 5.026 276 1HB LEU 33 HB2 LEU 33 -0.957 8.683 7.467 277 2HB LEU 33 HB1 LEU 33 -0.657 6.964 7.554 278 HG LEU 33 HG LEU 33 0.851 9.084 6.141 279 1HD1 LEU 33 1HD1 LEU 33 2.607 7.158 6.703 280 2HD1 LEU 33 2HD1 LEU 33 1.354 6.746 7.874 281 3HD1 LEU 33 3HD1 LEU 33 2.081 8.353 7.888 282 1HD2 LEU 33 1HD2 LEU 33 1.799 7.576 4.515 283 2HD2 LEU 33 2HD2 LEU 33 0.055 7.654 4.283 284 3HD2 LEU 33 3HD2 LEU 33 0.776 6.258 5.085 285 H GLU 34 HN GLU 34 -1.443 6.607 3.550 286 HA GLU 34 HA GLU 34 -1.438 3.823 4.465 287 1HB GLU 34 HB2 GLU 34 -3.631 4.956 3.210 288 2HB GLU 34 HB1 GLU 34 -2.795 4.131 1.903 289 1HG GLU 34 HG2 GLU 34 -2.959 2.041 2.986 290 2HG GLU 34 HG1 GLU 34 -3.462 2.788 4.502 291 H PHE 35 HN PHE 35 -1.262 2.557 2.044 292 HA PHE 35 HA PHE 35 1.258 3.617 0.942 293 1HB PHE 35 HB2 PHE 35 0.662 0.699 0.795 294 2HB PHE 35 HB1 PHE 35 2.210 1.518 0.926 295 HD1 PHE 35 HD1 PHE 35 3.350 1.372 2.901 296 HD2 PHE 35 HD2 PHE 35 -0.881 0.929 2.940 297 HE1 PHE 35 HE1 PHE 35 3.429 0.851 5.304 298 HE2 PHE 35 HE2 PHE 35 -0.810 0.412 5.343 299 HZ PHE 35 HZ PHE 35 1.349 0.372 6.528 300 HA PRO 36 HA PRO 36 -0.283 3.637 -3.198 301 1HB PRO 36 HB2 PRO 36 1.736 2.159 -4.441 302 2HB PRO 36 HB1 PRO 36 1.760 3.901 -4.168 303 1HG PRO 36 HG2 PRO 36 3.042 1.718 -2.597 304 2HG PRO 36 HG1 PRO 36 3.639 3.350 -2.951 305 1HD PRO 36 HD2 PRO 36 2.649 2.722 -0.545 306 2HD PRO 36 HD1 PRO 36 2.359 4.316 -1.272 307 H GLY 37 HN GLY 37 -0.946 2.128 -4.987 308 1HA GLY 37 HA2 GLY 37 -1.362 -0.124 -5.720 309 2HA GLY 37 HA1 GLY 37 -1.196 -0.636 -4.070 310 H GLY 38 HN GLY 38 -3.180 1.610 -5.848 311 1HA GLY 38 HA2 GLY 38 -5.573 0.434 -4.595 312 2HA GLY 38 HA1 GLY 38 -5.403 2.167 -4.852 313 H LYS 39 HN LYS 39 -7.236 -0.110 -5.909 314 HA LYS 39 HA LYS 39 -8.624 -0.070 -7.743 315 1HB LYS 39 HB2 LYS 39 -7.777 2.169 -8.388 316 2HB LYS 39 HB1 LYS 39 -6.447 1.391 -9.237 317 1HG LYS 39 HG2 LYS 39 -7.690 1.059 -11.027 318 2HG LYS 39 HG1 LYS 39 -8.941 0.259 -10.078 319 1HD LYS 39 HD2 LYS 39 -9.796 2.235 -11.276 320 2HD LYS 39 HD1 LYS 39 -9.938 2.399 -9.525 321 1HE LYS 39 HE2 LYS 39 -7.433 3.451 -10.148 322 2HE LYS 39 HE1 LYS 39 -8.499 4.036 -11.424 323 1HZ LYS 39 HZ1 LYS 39 -9.814 5.165 -9.925 324 2HZ LYS 39 HZ2 LYS 39 -8.277 5.381 -9.256 325 3HZ LYS 39 HZ3 LYS 39 -9.327 4.227 -8.603 326 H ILE 40 HN ILE 40 -5.877 -1.673 -7.192 327 HA ILE 40 HA ILE 40 -5.092 -2.894 -9.534 328 HB ILE 40 HB ILE 40 -4.218 -4.677 -8.306 329 1HG1 ILE 40 2HG1 ILE 40 -5.615 -4.240 -5.752 330 2HG1 ILE 40 1HG1 ILE 40 -6.662 -4.806 -7.046 331 1HG2 ILE 40 1HG2 ILE 40 -4.187 -2.820 -6.036 332 2HG2 ILE 40 2HG2 ILE 40 -3.732 -2.127 -7.588 333 3HG2 ILE 40 3HG2 ILE 40 -2.855 -3.517 -6.952 334 1HD1 ILE 40 1HD1 ILE 40 -5.854 -6.862 -6.940 335 2HD1 ILE 40 2HD1 ILE 40 -5.129 -6.374 -5.410 336 3HD1 ILE 40 3HD1 ILE 40 -4.183 -6.298 -6.897 337 H GLU 41 HN GLU 41 -7.953 -3.269 -7.710 338 HA GLU 41 HA GLU 41 -9.000 -5.667 -8.416 339 1HB GLU 41 HB2 GLU 41 -11.257 -4.335 -8.473 340 2HB GLU 41 HB1 GLU 41 -10.351 -4.489 -6.983 341 1HG GLU 41 HG2 GLU 41 -10.225 -2.298 -6.787 342 2HG GLU 41 HG1 GLU 41 -9.444 -2.156 -8.352 343 H MET 42 HN MET 42 -10.226 -2.825 -10.134 344 HA MET 42 HA MET 42 -11.145 -2.707 -12.244 345 1HB MET 42 HB2 MET 42 -8.267 -2.964 -12.296 346 2HB MET 42 HB1 MET 42 -8.968 -3.565 -13.792 347 1HG MET 42 HG2 MET 42 -9.784 -1.524 -14.401 348 2HG MET 42 HG1 MET 42 -9.898 -0.951 -12.738 349 1HE MET 42 HE1 MET 42 -6.833 -0.331 -15.815 350 2HE MET 42 HE2 MET 42 -8.105 -1.552 -15.794 351 3HE MET 42 HE3 MET 42 -6.490 -1.949 -15.205 352 H GLY 43 HN GLY 43 -8.962 -5.352 -13.079 353 1HA GLY 43 HA2 GLY 43 -11.072 -7.312 -13.173 354 2HA GLY 43 HA1 GLY 43 -10.576 -6.732 -14.747 355 H GLU 44 HN GLU 44 -8.278 -6.927 -12.183 356 HA GLU 44 HA GLU 44 -6.889 -9.040 -13.667 357 1HB GLU 44 HB2 GLU 44 -6.027 -6.843 -11.856 358 2HB GLU 44 HB1 GLU 44 -5.054 -8.307 -11.878 359 1HG GLU 44 HG2 GLU 44 -3.996 -7.432 -13.616 360 2HG GLU 44 HG1 GLU 44 -5.454 -7.762 -14.551 361 H THR 45 HN THR 45 -5.328 -10.273 -11.933 362 HA THR 45 HA THR 45 -7.225 -11.591 -10.120 363 HB THR 45 HB THR 45 -4.756 -13.024 -10.345 364 HG1 THR 45 HG1 THR 45 -5.935 -12.433 -12.851 365 1HG2 THR 45 1HG2 THR 45 -6.656 -14.323 -11.911 366 2HG2 THR 45 2HG2 THR 45 -7.565 -13.520 -10.628 367 3HG2 THR 45 3HG2 THR 45 -6.259 -14.633 -10.220 368 HA PRO 46 HA PRO 46 -5.330 -10.433 -6.323 369 1HB PRO 46 HB2 PRO 46 -4.399 -12.908 -5.373 370 2HB PRO 46 HB1 PRO 46 -5.986 -12.199 -5.071 371 1HG PRO 46 HG2 PRO 46 -5.176 -14.226 -7.098 372 2HG PRO 46 HG1 PRO 46 -6.678 -14.106 -6.162 373 1HD PRO 46 HD2 PRO 46 -6.618 -13.397 -8.721 374 2HD PRO 46 HD1 PRO 46 -7.549 -12.446 -7.549 375 H GLU 47 HN GLU 47 -3.502 -12.415 -8.548 376 HA GLU 47 HA GLU 47 -0.982 -11.587 -7.318 377 1HB GLU 47 HB2 GLU 47 -1.866 -13.877 -8.866 378 2HB GLU 47 HB1 GLU 47 -0.384 -13.188 -9.516 379 1HG GLU 47 HG2 GLU 47 -0.639 -13.745 -6.592 380 2HG GLU 47 HG1 GLU 47 -0.246 -15.038 -7.725 381 H GLN 48 HN GLN 48 -2.567 -11.540 -10.525 382 HA GLN 48 HA GLN 48 -0.480 -9.937 -11.669 383 1HB GLN 48 HB2 GLN 48 -3.192 -10.808 -12.651 384 2HB GLN 48 HB1 GLN 48 -2.153 -9.745 -13.589 385 1HG GLN 48 HG2 GLN 48 -0.415 -11.716 -13.058 386 2HG GLN 48 HG1 GLN 48 -1.922 -12.631 -13.046 387 1HE2 GLN 48 1HE2 GLN 48 -3.195 -12.681 -14.937 388 2HE2 GLN 48 2HE2 GLN 48 -2.507 -12.351 -16.487 389 H ALA 49 HN ALA 49 -3.484 -9.295 -10.056 390 HA ALA 49 HA ALA 49 -4.055 -6.742 -11.024 391 1HB ALA 49 HB1 ALA 49 -5.600 -8.010 -9.622 392 2HB ALA 49 HB2 ALA 49 -5.306 -6.404 -8.956 393 3HB ALA 49 HB3 ALA 49 -4.519 -7.812 -8.244 394 H VAL 50 HN VAL 50 -1.975 -7.736 -8.328 395 HA VAL 50 HA VAL 50 -1.216 -5.023 -7.744 396 HB VAL 50 HB VAL 50 -0.185 -5.796 -5.884 397 1HG1 VAL 50 1HG1 VAL 50 -2.442 -7.136 -6.339 398 2HG1 VAL 50 2HG1 VAL 50 -1.470 -7.370 -4.885 399 3HG1 VAL 50 3HG1 VAL 50 -1.330 -8.500 -6.230 400 1HG2 VAL 50 1HG2 VAL 50 0.758 -8.214 -7.420 401 2HG2 VAL 50 2HG2 VAL 50 1.163 -7.853 -5.742 402 3HG2 VAL 50 3HG2 VAL 50 1.707 -6.780 -7.031 403 H VAL 51 HN VAL 51 0.340 -7.835 -9.247 404 HA VAL 51 HA VAL 51 2.825 -6.664 -9.756 405 HB VAL 51 HB VAL 51 1.446 -8.773 -11.421 406 1HG1 VAL 51 1HG1 VAL 51 4.105 -7.565 -11.487 407 2HG1 VAL 51 2HG1 VAL 51 3.253 -8.501 -12.714 408 3HG1 VAL 51 3HG1 VAL 51 4.126 -9.328 -11.425 409 1HG2 VAL 51 1HG2 VAL 51 1.951 -8.972 -8.765 410 2HG2 VAL 51 2HG2 VAL 51 3.463 -9.578 -9.442 411 3HG2 VAL 51 3HG2 VAL 51 1.932 -10.338 -9.879 412 H ARG 52 HN ARG 52 -0.157 -6.674 -11.634 413 HA ARG 52 HA ARG 52 1.042 -5.307 -13.847 414 1HB ARG 52 HB2 ARG 52 -1.020 -6.881 -13.861 415 2HB ARG 52 HB1 ARG 52 -1.918 -5.456 -13.360 416 1HG ARG 52 HG2 ARG 52 -2.140 -5.577 -15.696 417 2HG ARG 52 HG1 ARG 52 -0.966 -4.296 -15.390 418 1HD ARG 52 HD2 ARG 52 0.726 -6.334 -15.613 419 2HD ARG 52 HD1 ARG 52 -0.587 -6.981 -16.596 420 HE ARG 52 HE ARG 52 -0.133 -4.380 -17.451 421 1HH1 ARG 52 1HH1 ARG 52 1.601 -7.407 -17.334 422 2HH1 ARG 52 2HH1 ARG 52 2.554 -7.059 -18.736 423 1HH2 ARG 52 1HH2 ARG 52 1.120 -3.921 -19.296 424 2HH2 ARG 52 2HH2 ARG 52 2.283 -5.079 -19.850 425 H GLU 53 HN GLU 53 -1.143 -4.409 -11.209 426 HA GLU 53 HA GLU 53 -1.358 -1.689 -12.003 427 1HB GLU 53 HB2 GLU 53 -2.962 -2.991 -10.506 428 2HB GLU 53 HB1 GLU 53 -1.799 -2.735 -9.213 429 1HG GLU 53 HG2 GLU 53 -2.899 -0.852 -8.796 430 2HG GLU 53 HG1 GLU 53 -2.121 -0.214 -10.242 431 H LEU 54 HN LEU 54 1.014 -3.489 -10.254 432 HA LEU 54 HA LEU 54 2.126 -1.552 -8.608 433 1HB LEU 54 HB2 LEU 54 2.857 -4.115 -9.529 434 2HB LEU 54 HB1 LEU 54 4.214 -3.069 -9.886 435 HG LEU 54 HG LEU 54 4.526 -2.513 -7.604 436 1HD1 LEU 54 1HD1 LEU 54 2.729 -3.898 -6.059 437 2HD1 LEU 54 2HD1 LEU 54 1.723 -3.282 -7.371 438 3HD1 LEU 54 3HD1 LEU 54 2.680 -2.166 -6.395 439 1HD2 LEU 54 1HD2 LEU 54 4.240 -5.325 -8.365 440 2HD2 LEU 54 2HD2 LEU 54 4.257 -5.037 -6.626 441 3HD2 LEU 54 3HD2 LEU 54 5.598 -4.479 -7.625 442 H GLN 55 HN GLN 55 2.710 -2.194 -12.040 443 HA GLN 55 HA GLN 55 4.699 -0.251 -12.443 444 1HB GLN 55 HB2 GLN 55 3.295 -2.086 -14.029 445 2HB GLN 55 HB1 GLN 55 2.912 -0.516 -14.722 446 1HG GLN 55 HG2 GLN 55 4.866 -1.592 -15.761 447 2HG GLN 55 HG1 GLN 55 5.237 -0.025 -15.044 448 1HE2 GLN 55 1HE2 GLN 55 7.417 -0.491 -14.854 449 2HE2 GLN 55 2HE2 GLN 55 8.027 -1.608 -13.687 450 H GLU 56 HN GLU 56 1.216 -0.097 -12.284 451 HA GLU 56 HA GLU 56 1.012 2.622 -13.191 452 1HB GLU 56 HB2 GLU 56 -0.760 0.602 -13.045 453 2HB GLU 56 HB1 GLU 56 -1.153 1.433 -11.551 454 1HG GLU 56 HG2 GLU 56 -0.944 3.397 -13.567 455 2HG GLU 56 HG1 GLU 56 -1.915 2.076 -14.215 456 H GLU 57 HN GLU 57 1.513 1.007 -10.150 457 HA GLU 57 HA GLU 57 1.088 3.539 -8.724 458 1HB GLU 57 HB2 GLU 57 0.762 0.692 -7.990 459 2HB GLU 57 HB1 GLU 57 1.354 1.763 -6.726 460 1HG GLU 57 HG2 GLU 57 -1.106 1.462 -6.748 461 2HG GLU 57 HG1 GLU 57 -0.581 3.138 -6.874 462 H VAL 58 HN VAL 58 3.562 2.105 -10.169 463 HA VAL 58 HA VAL 58 5.488 3.061 -8.169 464 HB VAL 58 HB VAL 58 5.498 0.397 -9.569 465 1HG1 VAL 58 1HG1 VAL 58 7.936 1.646 -8.322 466 2HG1 VAL 58 2HG1 VAL 58 7.661 1.512 -10.059 467 3HG1 VAL 58 3HG1 VAL 58 7.812 0.059 -9.079 468 1HG2 VAL 58 1HG2 VAL 58 5.410 -0.502 -7.509 469 2HG2 VAL 58 2HG2 VAL 58 4.775 1.083 -7.065 470 3HG2 VAL 58 3HG2 VAL 58 6.482 0.716 -6.817 471 H GLY 59 HN GLY 59 4.906 2.062 -11.504 472 1HA GLY 59 HA2 GLY 59 5.523 3.015 -13.476 473 2HA GLY 59 HA1 GLY 59 6.041 4.415 -12.576 474 H ILE 60 HN ILE 60 8.012 3.258 -11.035 475 HA ILE 60 HA ILE 60 10.118 3.027 -12.973 476 HB ILE 60 HB ILE 60 11.467 2.757 -10.729 477 1HG1 ILE 60 2HG1 ILE 60 9.420 4.539 -9.585 478 2HG1 ILE 60 1HG1 ILE 60 9.052 2.818 -9.581 479 1HG2 ILE 60 1HG2 ILE 60 12.150 4.867 -11.071 480 2HG2 ILE 60 2HG2 ILE 60 10.508 5.509 -11.036 481 3HG2 ILE 60 3HG2 ILE 60 11.121 4.735 -12.497 482 1HD1 ILE 60 1HD1 ILE 60 11.294 2.465 -8.490 483 2HD1 ILE 60 2HD1 ILE 60 10.068 3.275 -7.515 484 3HD1 ILE 60 3HD1 ILE 60 11.357 4.214 -8.270 485 H THR 61 HN THR 61 11.985 1.464 -11.968 486 HA THR 61 HA THR 61 10.787 -1.208 -11.938 487 HB THR 61 HB THR 61 13.234 -1.701 -12.701 488 HG1 THR 61 HG1 THR 61 12.974 0.957 -13.599 489 1HG2 THR 61 1HG2 THR 61 12.664 -1.389 -15.035 490 2HG2 THR 61 2HG2 THR 61 11.345 -0.306 -14.577 491 3HG2 THR 61 3HG2 THR 61 11.273 -2.019 -14.149 492 HA PRO 62 HA PRO 62 13.084 -1.057 -7.993 493 1HB PRO 62 HB2 PRO 62 11.104 -1.145 -6.294 494 2HB PRO 62 HB1 PRO 62 11.242 0.271 -7.344 495 1HG PRO 62 HG2 PRO 62 9.384 -2.056 -7.546 496 2HG PRO 62 HG1 PRO 62 9.081 -0.344 -7.884 497 1HD PRO 62 HD2 PRO 62 9.816 -2.374 -9.755 498 2HD PRO 62 HD1 PRO 62 9.651 -0.636 -10.056 499 H GLN 63 HN GLN 63 13.693 -2.673 -6.532 500 HA GLN 63 HA GLN 63 12.955 -5.377 -7.214 501 1HB GLN 63 HB2 GLN 63 14.659 -4.210 -4.993 502 2HB GLN 63 HB1 GLN 63 14.381 -5.936 -5.190 503 1HG GLN 63 HG2 GLN 63 15.487 -5.930 -7.316 504 2HG GLN 63 HG1 GLN 63 15.633 -4.174 -7.282 505 1HE2 GLN 63 1HE2 GLN 63 16.324 -6.815 -5.009 506 2HE2 GLN 63 2HE2 GLN 63 17.940 -6.318 -4.658 507 H HIS 64 HN HIS 64 10.721 -5.048 -6.921 508 HA HIS 64 HA HIS 64 9.836 -5.053 -4.115 509 1HB HIS 64 HB2 HIS 64 9.144 -2.978 -5.000 510 2HB HIS 64 HB1 HIS 64 8.794 -3.676 -6.553 511 HD1 HIS 64 HD1 HIS 64 7.297 -5.475 -3.703 512 HD2 HIS 64 HD2 HIS 64 6.234 -2.417 -6.301 513 HE1 HIS 64 HE1 HIS 64 4.808 -5.235 -3.471 514 HE2 HIS 64 HE2 HIS 64 4.219 -3.263 -4.921 515 H PHE 65 HN PHE 65 8.758 -6.826 -3.511 516 HA PHE 65 HA PHE 65 6.847 -8.164 -5.077 517 1HB PHE 65 HB2 PHE 65 9.167 -8.680 -6.172 518 2HB PHE 65 HB1 PHE 65 9.319 -9.791 -4.826 519 HD1 PHE 65 HD1 PHE 65 8.342 -11.920 -4.931 520 HD2 PHE 65 HD2 PHE 65 7.124 -8.901 -7.672 521 HE1 PHE 65 HE1 PHE 65 7.029 -13.586 -6.180 522 HE2 PHE 65 HE2 PHE 65 5.811 -10.560 -8.925 523 HZ PHE 65 HZ PHE 65 5.760 -12.905 -8.181 524 H SER 66 HN SER 66 6.199 -10.280 -4.130 525 HA SER 66 HA SER 66 5.852 -11.763 -2.416 526 1HB SER 66 HB2 SER 66 8.389 -11.022 -1.824 527 2HB SER 66 HB1 SER 66 7.543 -10.383 -0.414 528 HG SER 66 HG SER 66 7.638 -12.362 0.277 529 H LEU 67 HN LEU 67 4.700 -11.786 -0.336 530 HA LEU 67 HA LEU 67 3.364 -9.208 0.127 531 1HB LEU 67 HB2 LEU 67 1.340 -10.294 0.512 532 2HB LEU 67 HB1 LEU 67 2.026 -11.140 -0.860 533 HG LEU 67 HG LEU 67 2.926 -12.783 0.989 534 1HD1 LEU 67 1HD1 LEU 67 2.305 -12.145 3.042 535 2HD1 LEU 67 2HD1 LEU 67 0.724 -12.790 2.602 536 3HD1 LEU 67 3HD1 LEU 67 1.051 -11.065 2.432 537 1HD2 LEU 67 1HD2 LEU 67 0.054 -12.697 0.071 538 2HD2 LEU 67 2HD2 LEU 67 0.876 -14.115 0.724 539 3HD2 LEU 67 3HD2 LEU 67 1.412 -13.409 -0.801 540 H PHE 68 HN PHE 68 3.349 -8.354 2.106 541 HA PHE 68 HA PHE 68 4.803 -9.747 4.200 542 1HB PHE 68 HB2 PHE 68 5.495 -7.690 4.745 543 2HB PHE 68 HB1 PHE 68 4.548 -7.049 3.412 544 HD1 PHE 68 HD1 PHE 68 5.164 -6.771 6.808 545 HD2 PHE 68 HD2 PHE 68 1.943 -6.775 4.029 546 HE1 PHE 68 HE1 PHE 68 3.784 -5.510 8.408 547 HE2 PHE 68 HE2 PHE 68 0.558 -5.521 5.625 548 HZ PHE 68 HZ PHE 68 1.479 -4.875 7.817 549 H GLU 69 HN GLU 69 1.582 -8.633 3.451 550 HA GLU 69 HA GLU 69 0.352 -10.442 5.239 551 1HB GLU 69 HB2 GLU 69 1.243 -8.316 6.622 552 2HB GLU 69 HB1 GLU 69 -0.308 -7.678 6.092 553 1HG GLU 69 HG2 GLU 69 -1.507 -9.155 7.348 554 2HG GLU 69 HG1 GLU 69 -0.243 -10.383 7.312 555 H LYS 70 HN LYS 70 -1.918 -10.517 4.960 556 HA LYS 70 HA LYS 70 -3.092 -8.598 3.093 557 1HB LYS 70 HB2 LYS 70 -3.974 -10.350 1.647 558 2HB LYS 70 HB1 LYS 70 -2.218 -10.428 1.697 559 1HG LYS 70 HG2 LYS 70 -2.976 -12.128 3.724 560 2HG LYS 70 HG1 LYS 70 -4.199 -12.403 2.482 561 1HD LYS 70 HD2 LYS 70 -2.718 -13.330 1.043 562 2HD LYS 70 HD1 LYS 70 -1.407 -12.256 1.537 563 1HE LYS 70 HE2 LYS 70 -1.124 -14.707 2.102 564 2HE LYS 70 HE1 LYS 70 -0.913 -13.569 3.433 565 1HZ LYS 70 HZ1 LYS 70 -2.868 -14.211 4.412 566 2HZ LYS 70 HZ2 LYS 70 -2.365 -15.680 3.741 567 3HZ LYS 70 HZ3 LYS 70 -3.557 -14.762 2.968 568 H LEU 71 HN LEU 71 -4.744 -7.850 4.275 569 HA LEU 71 HA LEU 71 -6.479 -9.814 5.620 570 1HB LEU 71 HB2 LEU 71 -5.958 -8.737 7.506 571 2HB LEU 71 HB1 LEU 71 -5.166 -7.444 6.633 572 HG LEU 71 HG LEU 71 -8.156 -7.516 6.897 573 1HD1 LEU 71 1HD1 LEU 71 -6.725 -7.608 9.122 574 2HD1 LEU 71 2HD1 LEU 71 -8.152 -6.583 8.972 575 3HD1 LEU 71 3HD1 LEU 71 -6.543 -5.888 8.780 576 1HD2 LEU 71 1HD2 LEU 71 -6.130 -5.676 5.875 577 2HD2 LEU 71 2HD2 LEU 71 -7.293 -4.919 6.963 578 3HD2 LEU 71 3HD2 LEU 71 -7.856 -5.774 5.527 579 H GLU 72 HN GLU 72 -8.662 -9.639 5.343 580 HA GLU 72 HA GLU 72 -9.700 -7.377 3.807 581 1HB GLU 72 HB2 GLU 72 -10.819 -8.766 2.210 582 2HB GLU 72 HB1 GLU 72 -9.124 -9.229 2.225 583 1HG GLU 72 HG2 GLU 72 -11.266 -10.691 3.744 584 2HG GLU 72 HG1 GLU 72 -10.746 -11.123 2.116 585 H TYR 73 HN TYR 73 -11.756 -6.796 4.309 586 HA TYR 73 HA TYR 73 -13.361 -8.554 6.010 587 1HB TYR 73 HB2 TYR 73 -12.110 -7.109 7.555 588 2HB TYR 73 HB1 TYR 73 -12.699 -5.683 6.708 589 HD1 TYR 73 HD1 TYR 73 -14.530 -4.585 7.588 590 HD2 TYR 73 HD2 TYR 73 -14.034 -8.728 8.419 591 HE1 TYR 73 HE1 TYR 73 -16.495 -4.518 9.064 592 HE2 TYR 73 HE2 TYR 73 -15.998 -8.673 9.897 593 HH TYR 73 HH TYR 73 -18.213 -6.965 9.952 594 H GLU 74 HN GLU 74 -14.996 -8.830 4.578 595 HA GLU 74 HA GLU 74 -15.940 -6.853 2.813 596 1HB GLU 74 HB2 GLU 74 -18.022 -8.436 2.787 597 2HB GLU 74 HB1 GLU 74 -16.493 -8.973 2.106 598 1HG GLU 74 HG2 GLU 74 -16.621 -9.617 4.904 599 2HG GLU 74 HG1 GLU 74 -18.032 -10.232 4.062 600 H PHE 75 HN PHE 75 -17.514 -5.382 2.926 601 HA PHE 75 HA PHE 75 -18.728 -4.911 5.551 602 1HB PHE 75 HB2 PHE 75 -17.617 -3.202 3.500 603 2HB PHE 75 HB1 PHE 75 -19.271 -2.728 3.866 604 HD1 PHE 75 HD1 PHE 75 -16.595 -4.094 6.065 605 HD2 PHE 75 HD2 PHE 75 -19.135 -0.807 5.138 606 HE1 PHE 75 HE1 PHE 75 -15.802 -2.919 8.076 607 HE2 PHE 75 HE2 PHE 75 -18.347 0.374 7.148 608 HZ PHE 75 HZ PHE 75 -16.678 -0.682 8.620 609 HA PRO 76 HA PRO 76 -22.890 -5.799 4.443 610 1HB PRO 76 HB2 PRO 76 -24.145 -3.334 4.833 611 2HB PRO 76 HB1 PRO 76 -23.873 -4.563 6.071 612 1HG PRO 76 HG2 PRO 76 -22.295 -2.106 5.457 613 2HG PRO 76 HG1 PRO 76 -22.670 -2.839 7.028 614 1HD PRO 76 HD2 PRO 76 -20.257 -3.111 5.913 615 2HD PRO 76 HD1 PRO 76 -21.003 -4.449 6.811 616 H ASP 77 HN ASP 77 -22.179 -6.023 2.223 617 HA ASP 77 HA ASP 77 -23.141 -5.824 0.081 618 1HB ASP 77 HB2 ASP 77 -24.656 -3.957 0.995 619 2HB ASP 77 HB1 ASP 77 -23.394 -2.847 0.468 620 H ARG 78 HN ARG 78 -20.710 -3.870 1.571 621 HA ARG 78 HA ARG 78 -19.316 -3.623 -1.010 622 1HB ARG 78 HB2 ARG 78 -19.823 -1.535 0.365 623 2HB ARG 78 HB1 ARG 78 -18.634 -2.128 1.516 624 1HG ARG 78 HG2 ARG 78 -16.968 -2.162 -0.350 625 2HG ARG 78 HG1 ARG 78 -18.170 -1.349 -1.352 626 1HD ARG 78 HD2 ARG 78 -17.802 0.631 -0.374 627 2HD ARG 78 HD1 ARG 78 -17.786 -0.073 1.243 628 HE ARG 78 HE ARG 78 -15.400 -0.790 0.024 629 1HH1 ARG 78 1HH1 ARG 78 -17.012 2.142 1.015 630 2HH1 ARG 78 2HH1 ARG 78 -15.538 3.004 1.304 631 1HH2 ARG 78 1HH2 ARG 78 -13.457 0.344 0.403 632 2HH2 ARG 78 2HH2 ARG 78 -13.520 1.984 0.956 633 H HIS 79 HN HIS 79 -18.284 -5.594 -1.138 634 HA HIS 79 HA HIS 79 -16.849 -6.685 1.099 635 1HB HIS 79 HB2 HIS 79 -16.886 -7.476 -1.819 636 2HB HIS 79 HB1 HIS 79 -16.079 -8.387 -0.547 637 HD1 HIS 79 HD1 HIS 79 -17.709 -10.365 -1.287 638 HD2 HIS 79 HD2 HIS 79 -19.537 -7.081 0.486 639 HE1 HIS 79 HE1 HIS 79 -20.003 -11.150 -0.621 640 HE2 HIS 79 HE2 HIS 79 -21.061 -9.171 0.522 641 H ILE 80 HN ILE 80 -15.274 -5.234 1.715 642 HA ILE 80 HA ILE 80 -13.421 -4.192 -0.237 643 HB ILE 80 HB ILE 80 -14.361 -3.104 2.013 644 1HG1 ILE 80 2HG1 ILE 80 -11.612 -2.681 0.840 645 2HG1 ILE 80 1HG1 ILE 80 -13.112 -1.935 0.303 646 1HG2 ILE 80 1HG2 ILE 80 -13.083 -4.913 3.320 647 2HG2 ILE 80 2HG2 ILE 80 -12.967 -3.243 3.870 648 3HG2 ILE 80 3HG2 ILE 80 -11.647 -3.962 2.947 649 1HD1 ILE 80 1HD1 ILE 80 -13.230 -0.548 2.167 650 2HD1 ILE 80 2HD1 ILE 80 -11.519 -0.549 1.740 651 3HD1 ILE 80 3HD1 ILE 80 -12.091 -1.533 3.087 652 H THR 81 HN THR 81 -11.449 -4.933 -0.678 653 HA THR 81 HA THR 81 -10.240 -6.926 1.110 654 HB THR 81 HB THR 81 -9.932 -7.263 -1.841 655 HG1 THR 81 HG1 THR 81 -12.156 -8.279 -0.411 656 1HG2 THR 81 1HG2 THR 81 -9.409 -9.422 -1.393 657 2HG2 THR 81 2HG2 THR 81 -10.439 -9.496 0.037 658 3HG2 THR 81 3HG2 THR 81 -8.879 -8.676 0.115 659 H LEU 82 HN LEU 82 -8.295 -6.201 1.721 660 HA LEU 82 HA LEU 82 -6.735 -4.647 -0.231 661 1HB LEU 82 HB2 LEU 82 -6.084 -3.081 1.357 662 2HB LEU 82 HB1 LEU 82 -7.790 -3.320 1.678 663 HG LEU 82 HG LEU 82 -6.775 -5.107 3.409 664 1HD1 LEU 82 1HD1 LEU 82 -4.829 -3.008 3.974 665 2HD1 LEU 82 2HD1 LEU 82 -4.481 -3.921 2.506 666 3HD1 LEU 82 3HD1 LEU 82 -4.662 -4.763 4.045 667 1HD2 LEU 82 1HD2 LEU 82 -7.306 -3.581 5.105 668 2HD2 LEU 82 2HD2 LEU 82 -8.312 -3.093 3.741 669 3HD2 LEU 82 3HD2 LEU 82 -6.845 -2.192 4.122 670 H TRP 83 HN TRP 83 -4.944 -5.675 -0.777 671 HA TRP 83 HA TRP 83 -3.752 -7.576 1.118 672 1HB TRP 83 HB2 TRP 83 -3.437 -7.281 -1.875 673 2HB TRP 83 HB1 TRP 83 -2.518 -8.421 -0.897 674 HD1 TRP 83 HD1 TRP 83 -6.272 -7.778 -0.414 675 HE1 TRP 83 HE1 TRP 83 -7.543 -9.958 -0.920 676 HE3 TRP 83 HE3 TRP 83 -2.373 -10.610 -2.111 677 HZ2 TRP 83 HZ2 TRP 83 -6.966 -12.539 -1.909 678 HZ3 TRP 83 HZ3 TRP 83 -2.815 -12.925 -2.818 679 HH2 TRP 83 HH2 TRP 83 -5.066 -13.868 -2.718 680 H PHE 84 HN PHE 84 -1.962 -7.037 2.153 681 HA PHE 84 HA PHE 84 -0.445 -4.717 1.234 682 1HB PHE 84 HB2 PHE 84 -0.764 -6.089 3.859 683 2HB PHE 84 HB1 PHE 84 0.758 -5.259 3.552 684 HD1 PHE 84 HD1 PHE 84 0.313 -3.690 5.389 685 HD2 PHE 84 HD2 PHE 84 -2.310 -4.005 2.045 686 HE1 PHE 84 HE1 PHE 84 -0.736 -1.559 6.011 687 HE2 PHE 84 HE2 PHE 84 -3.357 -1.870 2.666 688 HZ PHE 84 HZ PHE 84 -2.573 -0.645 4.652 689 H TRP 85 HN TRP 85 1.129 -5.143 -0.163 690 HA TRP 85 HA TRP 85 2.528 -7.693 -0.026 691 1HB TRP 85 HB2 TRP 85 2.410 -5.548 -2.135 692 2HB TRP 85 HB1 TRP 85 3.505 -6.924 -2.237 693 HD1 TRP 85 HD1 TRP 85 -0.305 -6.585 -1.506 694 HE1 TRP 85 HE1 TRP 85 -1.533 -8.352 -2.917 695 HE3 TRP 85 HE3 TRP 85 3.719 -8.691 -3.853 696 HZ2 TRP 85 HZ2 TRP 85 -0.883 -10.371 -4.779 697 HZ3 TRP 85 HZ3 TRP 85 3.331 -10.535 -5.433 698 HH2 TRP 85 HH2 TRP 85 1.076 -11.358 -5.886 699 H LEU 86 HN LEU 86 4.767 -7.906 0.040 700 HA LEU 86 HA LEU 86 6.113 -5.751 1.461 701 1HB LEU 86 HB2 LEU 86 6.216 -7.966 2.433 702 2HB LEU 86 HB1 LEU 86 6.896 -8.617 0.954 703 HG LEU 86 HG LEU 86 8.818 -6.899 1.399 704 1HD1 LEU 86 1HD1 LEU 86 7.868 -5.692 3.218 705 2HD1 LEU 86 2HD1 LEU 86 9.201 -6.654 3.861 706 3HD1 LEU 86 3HD1 LEU 86 7.535 -7.178 4.108 707 1HD2 LEU 86 1HD2 LEU 86 8.651 -9.531 1.622 708 2HD2 LEU 86 2HD2 LEU 86 8.849 -9.152 3.334 709 3HD2 LEU 86 3HD2 LEU 86 10.072 -8.640 2.171 710 H VAL 87 HN VAL 87 7.850 -4.670 0.748 711 HA VAL 87 HA VAL 87 8.891 -5.262 -1.951 712 HB VAL 87 HB VAL 87 8.623 -2.549 -0.721 713 1HG1 VAL 87 1HG1 VAL 87 8.852 -2.092 -3.347 714 2HG1 VAL 87 2HG1 VAL 87 9.790 -3.577 -3.217 715 3HG1 VAL 87 3HG1 VAL 87 10.232 -2.174 -2.253 716 1HG2 VAL 87 1HG2 VAL 87 6.456 -2.625 -1.281 717 2HG2 VAL 87 2HG2 VAL 87 6.668 -4.211 -2.028 718 3HG2 VAL 87 3HG2 VAL 87 6.955 -2.747 -2.968 719 H GLU 88 HN GLU 88 11.128 -4.971 -2.266 720 HA GLU 88 HA GLU 88 12.525 -4.587 0.284 721 1HB GLU 88 HB2 GLU 88 12.800 -6.824 -0.613 722 2HB GLU 88 HB1 GLU 88 13.408 -6.169 -2.126 723 1HG GLU 88 HG2 GLU 88 15.282 -6.922 -0.918 724 2HG GLU 88 HG1 GLU 88 15.295 -5.162 -0.812 725 H ARG 89 HN ARG 89 12.540 -3.427 -3.070 726 HA ARG 89 HA ARG 89 14.135 -1.197 -2.254 727 1HB ARG 89 HB2 ARG 89 16.154 -2.063 -2.634 728 2HB ARG 89 HB1 ARG 89 15.464 -3.525 -3.310 729 1HG ARG 89 HG2 ARG 89 16.702 -2.814 -5.078 730 2HG ARG 89 HG1 ARG 89 15.185 -2.000 -5.450 731 1HD ARG 89 HD2 ARG 89 16.154 -0.003 -5.291 732 2HD ARG 89 HD1 ARG 89 16.790 -0.383 -3.691 733 HE ARG 89 HE ARG 89 18.201 -0.495 -6.194 734 1HH1 ARG 89 1HH1 ARG 89 18.092 -1.675 -2.912 735 2HH1 ARG 89 2HH1 ARG 89 19.779 -2.060 -2.862 736 1HH2 ARG 89 1HH2 ARG 89 20.420 -1.000 -6.130 737 2HH2 ARG 89 2HH2 ARG 89 21.101 -1.676 -4.689 738 H TRP 90 HN TRP 90 14.607 0.311 -4.098 739 HA TRP 90 HA TRP 90 13.016 -0.122 -6.463 740 1HB TRP 90 HB2 TRP 90 11.581 1.736 -6.268 741 2HB TRP 90 HB1 TRP 90 11.495 0.917 -4.717 742 HD1 TRP 90 HD1 TRP 90 13.412 3.921 -6.270 743 HE1 TRP 90 HE1 TRP 90 13.615 5.733 -4.453 744 HE3 TRP 90 HE3 TRP 90 11.242 1.409 -2.385 745 HZ2 TRP 90 HZ2 TRP 90 12.936 6.057 -1.734 746 HZ3 TRP 90 HZ3 TRP 90 11.051 2.549 -0.208 747 HH2 TRP 90 HH2 TRP 90 11.881 4.822 0.108 748 H GLU 91 HN GLU 91 13.936 0.687 -8.246 749 HA GLU 91 HA GLU 91 16.442 2.072 -7.968 750 1HB GLU 91 HB2 GLU 91 14.838 1.109 -10.328 751 2HB GLU 91 HB1 GLU 91 16.304 2.059 -10.530 752 1HG GLU 91 HG2 GLU 91 17.144 0.122 -8.818 753 2HG GLU 91 HG1 GLU 91 15.963 -0.749 -9.796 754 H GLY 92 HN GLY 92 16.956 4.152 -8.632 755 1HA GLY 92 HA2 GLY 92 16.609 6.401 -8.930 756 2HA GLY 92 HA1 GLY 92 15.273 5.934 -9.972 757 H GLU 93 HN GLU 93 13.353 6.678 -9.388 758 HA GLU 93 HA GLU 93 12.771 7.001 -6.532 759 1HB GLU 93 HB2 GLU 93 12.560 9.072 -8.687 760 2HB GLU 93 HB1 GLU 93 11.462 9.122 -7.315 761 1HG GLU 93 HG2 GLU 93 13.783 8.875 -6.008 762 2HG GLU 93 HG1 GLU 93 14.350 9.698 -7.460 763 HA PRO 94 HA PRO 94 9.023 4.946 -7.774 764 1HB PRO 94 HB2 PRO 94 7.812 5.699 -5.250 765 2HB PRO 94 HB1 PRO 94 8.396 4.115 -5.762 766 1HG PRO 94 HG2 PRO 94 9.591 5.577 -3.803 767 2HG PRO 94 HG1 PRO 94 10.469 4.436 -4.837 768 1HD PRO 94 HD2 PRO 94 10.264 7.421 -5.057 769 2HD PRO 94 HD1 PRO 94 11.692 6.374 -5.234 770 H TRP 95 HN TRP 95 7.402 5.683 -9.019 771 HA TRP 95 HA TRP 95 6.117 8.186 -8.205 772 1HB TRP 95 HB2 TRP 95 5.932 8.786 -10.656 773 2HB TRP 95 HB1 TRP 95 7.534 8.917 -9.948 774 HD1 TRP 95 HD1 TRP 95 9.397 7.237 -10.830 775 HE1 TRP 95 HE1 TRP 95 9.593 5.847 -12.994 776 HE3 TRP 95 HE3 TRP 95 4.496 7.293 -12.267 777 HZ2 TRP 95 HZ2 TRP 95 7.895 4.932 -15.044 778 HZ3 TRP 95 HZ3 TRP 95 3.866 6.148 -14.348 779 HH2 TRP 95 HH2 TRP 95 5.529 4.981 -15.701 780 H GLY 96 HN GLY 96 5.823 5.639 -10.673 781 1HA GLY 96 HA2 GLY 96 3.926 4.650 -11.560 782 2HA GLY 96 HA1 GLY 96 3.551 4.400 -9.868 783 H LYS 97 HN LYS 97 1.783 5.314 -9.051 784 HA LYS 97 HA LYS 97 0.712 7.798 -9.696 785 1HB LYS 97 HB2 LYS 97 0.332 6.388 -11.884 786 2HB LYS 97 HB1 LYS 97 -1.001 5.697 -10.972 787 1HG LYS 97 HG2 LYS 97 -2.101 7.395 -11.991 788 2HG LYS 97 HG1 LYS 97 -1.554 8.248 -10.546 789 1HD LYS 97 HD2 LYS 97 0.565 8.710 -12.064 790 2HD LYS 97 HD1 LYS 97 -0.610 8.466 -13.358 791 1HE LYS 97 HE2 LYS 97 -1.973 10.117 -11.667 792 2HE LYS 97 HE1 LYS 97 -0.317 10.687 -11.468 793 1HZ LYS 97 HZ1 LYS 97 -0.848 11.900 -13.270 794 2HZ LYS 97 HZ2 LYS 97 -2.067 10.845 -13.781 795 3HZ LYS 97 HZ3 LYS 97 -0.448 10.488 -14.113 796 H GLU 98 HN GLU 98 0.809 7.296 -7.327 797 HA GLU 98 HA GLU 98 -1.344 5.606 -6.334 798 1HB GLU 98 HB2 GLU 98 -0.331 6.701 -4.089 799 2HB GLU 98 HB1 GLU 98 0.337 5.268 -4.854 800 1HG GLU 98 HG2 GLU 98 2.093 6.808 -4.255 801 2HG GLU 98 HG1 GLU 98 1.991 6.654 -6.003 802 H GLY 99 HN GLY 99 -0.577 8.994 -6.727 803 1HA GLY 99 HA2 GLY 99 -2.573 10.433 -6.995 804 2HA GLY 99 HA1 GLY 99 -3.219 9.642 -5.567 805 H GLN 100 HN GLN 100 -1.671 9.825 -3.598 806 HA GLN 100 HA GLN 100 -0.966 12.665 -3.366 807 1HB GLN 100 HB2 GLN 100 -1.425 10.613 -1.195 808 2HB GLN 100 HB1 GLN 100 -1.142 12.331 -0.950 809 1HG GLN 100 HG2 GLN 100 -3.363 12.484 -0.883 810 2HG GLN 100 HG1 GLN 100 -3.270 12.370 -2.640 811 1HE2 GLN 100 1HE2 GLN 100 -3.782 10.424 -3.649 812 2HE2 GLN 100 2HE2 GLN 100 -4.661 9.175 -2.840 813 HA PRO 101 HA PRO 101 3.332 11.384 -3.944 814 1HB PRO 101 HB2 PRO 101 3.420 14.161 -2.816 815 2HB PRO 101 HB1 PRO 101 4.407 13.451 -4.103 816 1HG PRO 101 HG2 PRO 101 2.391 15.031 -4.728 817 2HG PRO 101 HG1 PRO 101 2.655 13.538 -5.648 818 1HD PRO 101 HD2 PRO 101 0.587 14.157 -3.602 819 2HD PRO 101 HD1 PRO 101 0.487 13.106 -5.028 820 H GLY 102 HN GLY 102 4.886 10.660 -2.541 821 1HA GLY 102 HA2 GLY 102 4.550 11.298 0.316 822 2HA GLY 102 HA1 GLY 102 4.705 9.631 -0.203 823 H GLU 103 HN GLU 103 6.493 10.261 1.578 824 HA GLU 103 HA GLU 103 8.968 10.624 0.031 825 1HB GLU 103 HB2 GLU 103 8.178 12.641 1.508 826 2HB GLU 103 HB1 GLU 103 8.790 11.664 2.835 827 1HG GLU 103 HG2 GLU 103 10.989 11.659 1.916 828 2HG GLU 103 HG1 GLU 103 10.423 12.410 0.424 829 H TRP 104 HN TRP 104 10.834 9.568 0.913 830 HA TRP 104 HA TRP 104 10.297 7.008 1.968 831 1HB TRP 104 HB2 TRP 104 13.024 8.231 2.231 832 2HB TRP 104 HB1 TRP 104 12.583 6.587 1.790 833 HD1 TRP 104 HD1 TRP 104 10.552 7.538 -0.613 834 HE1 TRP 104 HE1 TRP 104 11.615 8.308 -2.826 835 HE3 TRP 104 HE3 TRP 104 15.246 8.644 1.084 836 HZ2 TRP 104 HZ2 TRP 104 14.114 9.259 -3.733 837 HZ3 TRP 104 HZ3 TRP 104 16.914 9.478 -0.520 838 HH2 TRP 104 HH2 TRP 104 16.358 9.779 -2.879 839 H MET 105 HN MET 105 9.474 6.732 3.942 840 HA MET 105 HA MET 105 10.728 8.181 6.183 841 1HB MET 105 HB2 MET 105 8.593 8.070 7.358 842 2HB MET 105 HB1 MET 105 8.410 8.893 5.815 843 1HG MET 105 HG2 MET 105 7.415 6.942 4.832 844 2HG MET 105 HG1 MET 105 7.724 6.005 6.292 845 1HE MET 105 HE1 MET 105 5.123 6.894 8.743 846 2HE MET 105 HE2 MET 105 6.569 7.902 8.813 847 3HE MET 105 HE3 MET 105 6.703 6.195 8.390 848 H SER 106 HN SER 106 11.333 7.038 7.974 849 HA SER 106 HA SER 106 11.901 4.298 7.681 850 1HB SER 106 HB2 SER 106 12.632 4.387 10.022 851 2HB SER 106 HB1 SER 106 13.212 5.795 9.133 852 HG SER 106 HG SER 106 11.751 7.057 10.152 853 H LEU 107 HN LEU 107 10.497 2.677 7.717 854 HA LEU 107 HA LEU 107 7.861 2.882 8.702 855 1HB LEU 107 HB2 LEU 107 8.906 1.249 6.961 856 2HB LEU 107 HB1 LEU 107 9.244 0.249 8.362 857 HG LEU 107 HG LEU 107 6.812 0.280 8.910 858 1HD1 LEU 107 1HD1 LEU 107 5.975 2.212 7.910 859 2HD1 LEU 107 2HD1 LEU 107 5.334 0.906 6.914 860 3HD1 LEU 107 3HD1 LEU 107 6.720 1.843 6.355 861 1HD2 LEU 107 1HD2 LEU 107 6.210 -1.047 6.706 862 2HD2 LEU 107 2HD2 LEU 107 7.342 -1.692 7.893 863 3HD2 LEU 107 3HD2 LEU 107 7.947 -0.907 6.435 864 H VAL 108 HN VAL 108 10.829 2.228 10.269 865 HA VAL 108 HA VAL 108 10.095 0.554 12.359 866 HB VAL 108 HB VAL 108 12.000 2.879 12.630 867 1HG1 VAL 108 1HG1 VAL 108 13.149 1.414 14.213 868 2HG1 VAL 108 2HG1 VAL 108 11.924 0.171 13.957 869 3HG1 VAL 108 3HG1 VAL 108 11.481 1.706 14.706 870 1HG2 VAL 108 1HG2 VAL 108 12.207 0.387 11.053 871 2HG2 VAL 108 2HG2 VAL 108 13.619 0.838 12.007 872 3HG2 VAL 108 3HG2 VAL 108 12.974 1.956 10.806 873 H GLY 109 HN GLY 109 8.997 3.719 11.715 874 1HA GLY 109 HA2 GLY 109 8.022 3.968 14.487 875 2HA GLY 109 HA1 GLY 109 8.415 5.345 13.471 876 H LEU 110 HN LEU 110 6.629 2.416 12.631 877 HA LEU 110 HA LEU 110 4.600 3.783 11.243 878 1HB LEU 110 HB2 LEU 110 5.344 1.267 11.238 879 2HB LEU 110 HB1 LEU 110 4.139 1.104 12.499 880 HG LEU 110 HG LEU 110 2.836 0.564 10.721 881 1HD1 LEU 110 1HD1 LEU 110 1.891 2.637 11.676 882 2HD1 LEU 110 2HD1 LEU 110 1.481 2.406 9.976 883 3HD1 LEU 110 3HD1 LEU 110 2.734 3.560 10.433 884 1HD2 LEU 110 1HD2 LEU 110 3.215 1.159 8.461 885 2HD2 LEU 110 2HD2 LEU 110 4.793 0.816 9.168 886 3HD2 LEU 110 3HD2 LEU 110 4.283 2.486 8.918 887 H ASN 111 HN ASN 111 2.800 4.804 11.939 888 HA ASN 111 HA ASN 111 1.997 4.366 14.729 889 1HB ASN 111 HB2 ASN 111 2.779 6.771 13.416 890 2HB ASN 111 HB1 ASN 111 1.081 6.904 13.856 891 1HD2 ASN 111 1HD2 ASN 111 3.050 8.496 14.973 892 2HD2 ASN 111 2HD2 ASN 111 3.205 8.104 16.649 893 H ALA 112 HN ALA 112 0.009 3.778 15.144 894 HA ALA 112 HA ALA 112 -1.813 3.226 13.028 895 1HB ALA 112 HB1 ALA 112 -3.084 2.101 14.580 896 2HB ALA 112 HB2 ALA 112 -2.674 3.216 15.884 897 3HB ALA 112 HB3 ALA 112 -1.489 2.032 15.332 898 H ASP 113 HN ASP 113 -1.163 5.991 14.898 899 HA ASP 113 HA ASP 113 -3.810 7.097 14.883 900 1HB ASP 113 HB2 ASP 113 -1.927 7.615 16.543 901 2HB ASP 113 HB1 ASP 113 -1.261 8.650 15.285 902 H ASP 114 HN ASP 114 -0.815 7.777 13.067 903 HA ASP 114 HA ASP 114 -1.994 9.780 11.441 904 1HB ASP 114 HB2 ASP 114 0.175 8.693 10.010 905 2HB ASP 114 HB1 ASP 114 0.152 10.160 10.974 906 H PHE 115 HN PHE 115 -1.774 6.315 11.186 907 HA PHE 115 HA PHE 115 -2.741 6.346 8.436 908 1HB PHE 115 HB2 PHE 115 -1.845 4.275 8.267 909 2HB PHE 115 HB1 PHE 115 -1.058 4.639 9.805 910 HD1 PHE 115 HD1 PHE 115 -3.061 4.361 11.763 911 HD2 PHE 115 HD2 PHE 115 -2.512 2.074 8.234 912 HE1 PHE 115 HE1 PHE 115 -4.202 2.467 12.834 913 HE2 PHE 115 HE2 PHE 115 -3.655 0.171 9.289 914 HZ PHE 115 HZ PHE 115 -4.502 0.370 11.591 915 HA PRO 116 HA PRO 116 -6.990 5.550 9.366 916 1HB PRO 116 HB2 PRO 116 -7.696 3.404 7.868 917 2HB PRO 116 HB1 PRO 116 -7.362 4.990 7.164 918 1HG PRO 116 HG2 PRO 116 -5.589 2.584 7.340 919 2HG PRO 116 HG1 PRO 116 -5.837 3.693 5.979 920 1HD PRO 116 HD2 PRO 116 -3.689 3.850 7.625 921 2HD PRO 116 HD1 PRO 116 -4.401 5.273 6.840 922 HA PRO 117 HA PRO 117 -6.761 2.626 12.774 923 1HB PRO 117 HB2 PRO 117 -9.339 2.973 13.636 924 2HB PRO 117 HB1 PRO 117 -8.007 4.060 14.039 925 1HG PRO 117 HG2 PRO 117 -10.108 4.339 11.926 926 2HG PRO 117 HG1 PRO 117 -9.461 5.566 13.031 927 1HD PRO 117 HD2 PRO 117 -8.666 5.417 10.470 928 2HD PRO 117 HD1 PRO 117 -7.544 5.874 11.768 929 H ALA 118 HN ALA 118 -8.870 2.462 10.063 930 HA ALA 118 HA ALA 118 -10.243 0.074 10.792 931 1HB ALA 118 HB1 ALA 118 -10.034 1.748 8.362 932 2HB ALA 118 HB2 ALA 118 -11.461 1.172 9.224 933 3HB ALA 118 HB3 ALA 118 -10.572 0.081 8.162 934 H ASN 119 HN ASN 119 -7.071 0.606 9.876 935 HA ASN 119 HA ASN 119 -6.816 -2.159 8.890 936 1HB ASN 119 HB2 ASN 119 -5.696 0.405 7.983 937 2HB ASN 119 HB1 ASN 119 -4.551 -0.934 8.011 938 1HD2 ASN 119 1HD2 ASN 119 -7.980 -0.535 7.179 939 2HD2 ASN 119 2HD2 ASN 119 -7.872 -1.302 5.634 940 H GLU 120 HN GLU 120 -6.747 -1.269 11.685 941 HA GLU 120 HA GLU 120 -4.060 -1.163 12.575 942 1HB GLU 120 HB2 GLU 120 -5.021 -0.587 14.490 943 2HB GLU 120 HB1 GLU 120 -6.570 -0.751 13.692 944 1HG GLU 120 HG2 GLU 120 -6.470 -3.207 14.390 945 2HG GLU 120 HG1 GLU 120 -5.159 -2.716 15.460 946 HA PRO 121 HA PRO 121 -5.074 -5.927 13.592 947 1HB PRO 121 HB2 PRO 121 -6.089 -6.442 10.835 948 2HB PRO 121 HB1 PRO 121 -6.538 -7.210 12.363 949 1HG PRO 121 HG2 PRO 121 -8.146 -5.420 11.230 950 2HG PRO 121 HG1 PRO 121 -7.925 -5.457 12.990 951 1HD PRO 121 HD2 PRO 121 -6.807 -3.558 10.978 952 2HD PRO 121 HD1 PRO 121 -7.339 -3.255 12.644 953 H VAL 122 HN VAL 122 -4.291 -4.833 10.292 954 HA VAL 122 HA VAL 122 -2.217 -6.785 9.959 955 HB VAL 122 HB VAL 122 -2.423 -4.322 8.264 956 1HG1 VAL 122 1HG1 VAL 122 -0.604 -5.839 7.805 957 2HG1 VAL 122 2HG1 VAL 122 -1.781 -5.916 6.493 958 3HG1 VAL 122 3HG1 VAL 122 -1.722 -7.200 7.701 959 1HG2 VAL 122 1HG2 VAL 122 -4.666 -4.834 8.188 960 2HG2 VAL 122 2HG2 VAL 122 -4.392 -6.559 8.434 961 3HG2 VAL 122 3HG2 VAL 122 -4.043 -5.824 6.869 962 H ILE 123 HN ILE 123 -2.261 -3.251 10.333 963 HA ILE 123 HA ILE 123 0.543 -2.957 10.417 964 HB ILE 123 HB ILE 123 -1.675 -1.161 11.383 965 1HG1 ILE 123 2HG1 ILE 123 -0.719 -1.802 8.825 966 2HG1 ILE 123 1HG1 ILE 123 -1.805 -0.489 9.249 967 1HG2 ILE 123 1HG2 ILE 123 0.119 0.622 11.372 968 2HG2 ILE 123 2HG2 ILE 123 1.295 -0.694 11.342 969 3HG2 ILE 123 3HG2 ILE 123 0.180 -0.537 12.701 970 1HD1 ILE 123 1HD1 ILE 123 0.168 0.966 9.591 971 2HD1 ILE 123 2HD1 ILE 123 -0.003 0.370 7.938 972 3HD1 ILE 123 3HD1 ILE 123 1.189 -0.357 9.018 973 H ALA 124 HN ALA 124 -1.843 -3.623 12.898 974 HA ALA 124 HA ALA 124 -0.392 -2.963 15.177 975 1HB ALA 124 HB1 ALA 124 -2.670 -3.545 15.437 976 2HB ALA 124 HB2 ALA 124 -1.747 -4.784 16.288 977 3HB ALA 124 HB3 ALA 124 -2.426 -5.128 14.697 978 H LYS 125 HN LYS 125 -0.090 -5.667 13.000 979 HA LYS 125 HA LYS 125 1.522 -7.277 14.731 980 1HB LYS 125 HB2 LYS 125 1.200 -7.359 11.728 981 2HB LYS 125 HB1 LYS 125 1.983 -8.600 12.698 982 1HG LYS 125 HG2 LYS 125 -0.883 -7.775 13.076 983 2HG LYS 125 HG1 LYS 125 -0.377 -9.088 12.011 984 1HD LYS 125 HD2 LYS 125 -0.646 -10.369 13.840 985 2HD LYS 125 HD1 LYS 125 0.934 -9.734 14.299 986 1HE LYS 125 HE2 LYS 125 -0.058 -8.054 15.673 987 2HE LYS 125 HE1 LYS 125 -1.669 -8.425 15.061 988 1HZ LYS 125 HZ1 LYS 125 -1.316 -10.708 16.045 989 2HZ LYS 125 HZ2 LYS 125 -1.528 -9.444 17.150 990 3HZ LYS 125 HZ3 LYS 125 0.020 -10.061 16.858 991 H LEU 126 HN LEU 126 2.325 -5.297 11.868 992 HA LEU 126 HA LEU 126 5.144 -5.617 12.285 993 1HB LEU 126 HB2 LEU 126 4.799 -5.356 10.064 994 2HB LEU 126 HB1 LEU 126 3.383 -4.350 10.289 995 HG LEU 126 HG LEU 126 6.071 -3.196 10.896 996 1HD1 LEU 126 1HD1 LEU 126 5.249 -4.215 8.312 997 2HD1 LEU 126 2HD1 LEU 126 6.812 -3.587 8.836 998 3HD1 LEU 126 3HD1 LEU 126 5.558 -2.479 8.274 999 1HD2 LEU 126 1HD2 LEU 126 4.433 -1.671 11.408 1000 2HD2 LEU 126 2HD2 LEU 126 3.356 -2.233 10.129 1001 3HD2 LEU 126 3HD2 LEU 126 4.761 -1.246 9.729 1002 H LYS 127 HN LYS 127 2.758 -3.122 12.942 1003 HA LYS 127 HA LYS 127 4.376 -0.954 13.501 1004 1HB LYS 127 HB2 LYS 127 1.921 -0.929 13.450 1005 2HB LYS 127 HB1 LYS 127 1.879 -1.765 14.988 1006 1HG LYS 127 HG2 LYS 127 2.800 0.083 16.130 1007 2HG LYS 127 HG1 LYS 127 3.235 0.888 14.621 1008 1HD LYS 127 HD2 LYS 127 1.320 2.027 14.956 1009 2HD LYS 127 HD1 LYS 127 0.562 0.581 14.288 1010 1HE LYS 127 HE2 LYS 127 1.119 0.472 17.170 1011 2HE LYS 127 HE1 LYS 127 -0.062 1.689 16.689 1012 1HZ LYS 127 HZ1 LYS 127 -1.407 -0.110 16.953 1013 2HZ LYS 127 HZ2 LYS 127 -0.220 -1.228 16.506 1014 3HZ LYS 127 HZ3 LYS 127 -1.012 -0.318 15.322 1015 H ARG 128 HN ARG 128 3.453 -3.640 15.605 1016 HA ARG 128 HA ARG 128 4.706 -2.669 17.941 1017 1HB ARG 128 HB2 ARG 128 3.061 -4.456 18.051 1018 2HB ARG 128 HB1 ARG 128 4.082 -5.498 17.070 1019 1HG ARG 128 HG2 ARG 128 5.689 -5.696 18.816 1020 2HG ARG 128 HG1 ARG 128 4.889 -4.446 19.770 1021 1HD ARG 128 HD2 ARG 128 3.923 -7.226 19.152 1022 2HD ARG 128 HD1 ARG 128 4.261 -6.514 20.730 1023 HE ARG 128 HE ARG 128 1.828 -6.339 19.259 1024 1HH1 ARG 128 1HH1 ARG 128 3.870 -4.599 21.489 1025 2HH1 ARG 128 2HH1 ARG 128 2.569 -3.663 22.146 1026 1HH2 ARG 128 1HH2 ARG 128 0.115 -5.109 20.120 1027 2HH2 ARG 128 2HH2 ARG 128 0.437 -3.954 21.369 1028 H LEU 129 HN LEU 129 5.956 -3.730 15.003 1029 HA LEU 129 HA LEU 129 8.039 -4.288 14.261 1030 1HB LEU 129 HB2 LEU 129 8.434 -2.400 16.495 1031 2HB LEU 129 HB1 LEU 129 9.856 -3.315 16.029 1032 HG LEU 129 HG LEU 129 9.874 -2.392 13.852 1033 1HD1 LEU 129 1HD1 LEU 129 7.877 -0.633 13.455 1034 2HD1 LEU 129 2HD1 LEU 129 7.031 -1.852 14.407 1035 3HD1 LEU 129 3HD1 LEU 129 7.832 -2.308 12.904 1036 1HD2 LEU 129 1HD2 LEU 129 9.062 -0.193 15.750 1037 2HD2 LEU 129 2HD2 LEU 129 9.972 0.005 14.253 1038 3HD2 LEU 129 3HD2 LEU 129 10.679 -0.882 15.604 1039 1HO1 MO2 130 1HO1 MO2 130 -4.173 4.739 -7.856 1040 2HO1 MO2 130 2HO1 MO2 130 -5.500 4.229 -11.495 1041 1HO2 MO2 130 1HO2 MO2 130 -3.701 3.551 -7.047 1042 2HO2 MO2 130 2HO2 MO2 130 -5.680 4.951 -10.179 1043 1H5* 8OG 131 1H5* 8OG 131 -11.493 3.416 -3.333 1044 2H5* 8OG 131 2H5* 8OG 131 -11.294 3.772 -1.644 1045 H4* 8OG 131 1H4* 8OG 131 -9.837 1.719 -3.295 1046 H3* 8OG 131 1H3* 8OG 131 -12.217 1.503 -1.776 1047 1H2* 8OG 131 1H2* 8OG 131 -11.558 0.496 0.107 1048 2H2* 8OG 131 2H2* 8OG 131 -10.714 -0.726 -0.818 1049 H1* 8OG 131 1H1* 8OG 131 -8.749 0.177 -0.343 1050 H1 8OG 131 H1 8OG 131 -6.047 0.365 4.957 1051 H7 8OG 131 H7 8OG 131 -10.316 2.686 3.829 1052 1H2 8OG 131 H21 8OG 131 -5.020 -1.159 1.982 1053 2H2 8OG 131 H22 8OG 131 -4.678 -0.882 3.658 1054 H3T 8OG 131 *HO1 8OG 131 -10.653 -0.456 -3.184 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -24.523 -6.072 -2.959 2 2H MET 1 HT2 MET 1 -23.755 -7.134 -1.849 3 3H MET 1 HT3 MET 1 -25.259 -7.566 -2.554 4 HA MET 1 HA MET 1 -23.212 -8.644 -3.458 5 1HB MET 1 HB2 MET 1 -25.471 -7.334 -4.856 6 2HB MET 1 HB1 MET 1 -24.169 -7.919 -5.881 7 1HG MET 1 HG2 MET 1 -25.093 -9.814 -3.840 8 2HG MET 1 HG1 MET 1 -26.278 -9.402 -5.077 9 1HE MET 1 HE1 MET 1 -24.209 -12.821 -5.211 10 2HE MET 1 HE2 MET 1 -24.264 -11.667 -3.877 11 3HE MET 1 HE3 MET 1 -22.786 -11.855 -4.820 12 H LYS 2 HN LYS 2 -22.263 -6.013 -2.553 13 HA LYS 2 HA LYS 2 -20.814 -5.118 -4.952 14 1HB LYS 2 HB2 LYS 2 -22.111 -3.691 -2.849 15 2HB LYS 2 HB1 LYS 2 -20.390 -3.343 -2.765 16 1HG LYS 2 HG2 LYS 2 -20.942 -1.734 -4.235 17 2HG LYS 2 HG1 LYS 2 -20.772 -3.048 -5.400 18 1HD LYS 2 HD2 LYS 2 -23.284 -3.473 -4.897 19 2HD LYS 2 HD1 LYS 2 -23.261 -1.821 -4.278 20 1HE LYS 2 HE2 LYS 2 -23.762 -1.320 -6.424 21 2HE LYS 2 HE1 LYS 2 -22.013 -1.435 -6.618 22 1HZ LYS 2 HZ1 LYS 2 -23.743 -2.775 -8.120 23 2HZ LYS 2 HZ2 LYS 2 -23.492 -3.920 -6.900 24 3HZ LYS 2 HZ3 LYS 2 -22.179 -3.333 -7.791 25 H LYS 3 HN LYS 3 -18.773 -5.735 -5.135 26 HA LYS 3 HA LYS 3 -17.145 -6.038 -2.715 27 1HB LYS 3 HB2 LYS 3 -16.152 -8.114 -3.629 28 2HB LYS 3 HB1 LYS 3 -17.862 -8.286 -3.257 29 1HG LYS 3 HG2 LYS 3 -18.373 -7.934 -5.654 30 2HG LYS 3 HG1 LYS 3 -16.639 -7.908 -5.981 31 1HD LYS 3 HD2 LYS 3 -17.581 -10.218 -4.423 32 2HD LYS 3 HD1 LYS 3 -18.187 -10.135 -6.078 33 1HE LYS 3 HE2 LYS 3 -15.644 -9.611 -6.592 34 2HE LYS 3 HE1 LYS 3 -15.408 -10.486 -5.080 35 1HZ LYS 3 HZ1 LYS 3 -16.582 -11.464 -7.606 36 2HZ LYS 3 HZ2 LYS 3 -16.895 -12.247 -6.140 37 3HZ LYS 3 HZ3 LYS 3 -15.307 -12.119 -6.707 38 H LEU 4 HN LEU 4 -15.061 -5.377 -2.916 39 HA LEU 4 HA LEU 4 -13.987 -4.824 -5.572 40 1HB LEU 4 HB2 LEU 4 -13.205 -2.554 -4.648 41 2HB LEU 4 HB1 LEU 4 -14.864 -2.709 -5.195 42 HG LEU 4 HG LEU 4 -15.310 -3.240 -2.646 43 1HD1 LEU 4 1HD1 LEU 4 -13.778 -2.573 -1.137 44 2HD1 LEU 4 2HD1 LEU 4 -13.201 -1.248 -2.147 45 3HD1 LEU 4 3HD1 LEU 4 -12.652 -2.894 -2.455 46 1HD2 LEU 4 1HD2 LEU 4 -16.213 -1.364 -4.007 47 2HD2 LEU 4 2HD2 LEU 4 -14.778 -0.427 -3.586 48 3HD2 LEU 4 3HD2 LEU 4 -15.900 -0.939 -2.325 49 H GLN 5 HN GLN 5 -11.803 -5.019 -5.709 50 HA GLN 5 HA GLN 5 -10.435 -5.945 -3.295 51 1HB GLN 5 HB2 GLN 5 -9.576 -6.244 -6.168 52 2HB GLN 5 HB1 GLN 5 -8.852 -7.023 -4.766 53 1HG GLN 5 HG2 GLN 5 -11.176 -8.034 -4.391 54 2HG GLN 5 HG1 GLN 5 -11.500 -7.536 -6.044 55 1HE2 GLN 5 1HE2 GLN 5 -9.724 -8.213 -7.621 56 2HE2 GLN 5 2HE2 GLN 5 -9.148 -9.834 -7.462 57 H ILE 6 HN ILE 6 -8.306 -5.316 -2.845 58 HA ILE 6 HA ILE 6 -7.213 -2.982 -4.186 59 HB ILE 6 HB ILE 6 -7.547 -3.012 -1.190 60 1HG1 ILE 6 2HG1 ILE 6 -9.167 -1.013 -1.913 61 2HG1 ILE 6 1HG1 ILE 6 -9.377 -2.039 -3.328 62 1HG2 ILE 6 1HG2 ILE 6 -7.106 -0.556 -2.777 63 2HG2 ILE 6 2HG2 ILE 6 -5.758 -1.682 -2.612 64 3HG2 ILE 6 3HG2 ILE 6 -6.516 -0.996 -1.175 65 1HD1 ILE 6 1HD1 ILE 6 -10.207 -3.825 -2.009 66 2HD1 ILE 6 2HD1 ILE 6 -11.053 -2.364 -1.502 67 3HD1 ILE 6 3HD1 ILE 6 -9.748 -3.015 -0.512 68 H ALA 7 HN ALA 7 -5.037 -3.212 -4.386 69 HA ALA 7 HA ALA 7 -3.699 -5.052 -2.496 70 1HB ALA 7 HB1 ALA 7 -2.137 -5.340 -4.645 71 2HB ALA 7 HB2 ALA 7 -3.666 -5.019 -5.457 72 3HB ALA 7 HB3 ALA 7 -3.532 -6.372 -4.336 73 H VAL 8 HN VAL 8 -2.086 -4.117 -1.407 74 HA VAL 8 HA VAL 8 -0.882 -1.704 -2.577 75 HB VAL 8 HB VAL 8 -1.302 -0.545 -0.737 76 1HG1 VAL 8 1HG1 VAL 8 -3.330 -2.055 -0.748 77 2HG1 VAL 8 2HG1 VAL 8 -2.965 -1.247 0.777 78 3HG1 VAL 8 3HG1 VAL 8 -2.555 -2.949 0.560 79 1HG2 VAL 8 1HG2 VAL 8 -0.506 -1.246 1.508 80 2HG2 VAL 8 2HG2 VAL 8 0.739 -1.338 0.261 81 3HG2 VAL 8 3HG2 VAL 8 -0.057 -2.807 0.822 82 H GLY 9 HN GLY 9 1.294 -1.224 -1.984 83 1HA GLY 9 HA2 GLY 9 2.895 -3.503 -1.074 84 2HA GLY 9 HA1 GLY 9 3.255 -2.799 -2.641 85 H ILE 10 HN ILE 10 3.856 -2.658 0.649 86 HA ILE 10 HA ILE 10 4.486 0.108 0.889 87 HB ILE 10 HB ILE 10 3.946 -1.485 2.773 88 1HG1 ILE 10 2HG1 ILE 10 6.335 -0.350 3.855 89 2HG1 ILE 10 1HG1 ILE 10 5.655 0.768 2.681 90 1HG2 ILE 10 1HG2 ILE 10 5.557 -2.904 3.701 91 2HG2 ILE 10 2HG2 ILE 10 6.848 -2.227 2.713 92 3HG2 ILE 10 3HG2 ILE 10 5.603 -3.223 1.968 93 1HD1 ILE 10 1HD1 ILE 10 4.326 1.463 4.309 94 2HD1 ILE 10 2HD1 ILE 10 4.756 0.097 5.341 95 3HD1 ILE 10 3HD1 ILE 10 3.471 -0.070 4.145 96 H ILE 11 HN ILE 11 5.839 0.809 -0.656 97 HA ILE 11 HA ILE 11 8.110 -0.597 -1.582 98 HB ILE 11 HB ILE 11 6.650 1.208 -2.728 99 1HG1 ILE 11 2HG1 ILE 11 9.606 0.802 -3.075 100 2HG1 ILE 11 1HG1 ILE 11 8.286 0.109 -4.002 101 1HG2 ILE 11 1HG2 ILE 11 7.510 2.877 -0.885 102 2HG2 ILE 11 2HG2 ILE 11 7.154 3.400 -2.528 103 3HG2 ILE 11 3HG2 ILE 11 8.820 3.099 -2.044 104 1HD1 ILE 11 1HD1 ILE 11 9.449 1.756 -5.320 105 2HD1 ILE 11 2HD1 ILE 11 9.198 2.978 -4.074 106 3HD1 ILE 11 3HD1 ILE 11 7.818 2.331 -4.961 107 H ARG 12 HN ARG 12 10.042 -0.812 -0.742 108 HA ARG 12 HA ARG 12 10.939 0.929 1.417 109 1HB ARG 12 HB2 ARG 12 11.369 -1.843 0.625 110 2HB ARG 12 HB1 ARG 12 12.870 -1.023 1.033 111 1HG ARG 12 HG2 ARG 12 10.971 -0.334 2.991 112 2HG ARG 12 HG1 ARG 12 10.879 -2.078 2.759 113 1HD ARG 12 HD2 ARG 12 13.492 -0.640 3.136 114 2HD ARG 12 HD1 ARG 12 12.536 -1.223 4.498 115 HE ARG 12 HE ARG 12 13.071 -3.229 2.508 116 1HH1 ARG 12 1HH1 ARG 12 14.271 -1.652 5.382 117 2HH1 ARG 12 2HH1 ARG 12 15.284 -2.981 5.838 118 1HH2 ARG 12 1HH2 ARG 12 14.404 -4.976 3.107 119 2HH2 ARG 12 2HH2 ARG 12 15.360 -4.867 4.547 120 H ASN 13 HN ASN 13 12.850 2.072 1.407 121 HA ASN 13 HA ASN 13 13.999 2.518 -1.260 122 1HB ASN 13 HB2 ASN 13 14.941 4.629 -0.264 123 2HB ASN 13 HB1 ASN 13 13.198 4.563 -0.365 124 1HD2 ASN 13 1HD2 ASN 13 15.854 5.057 1.614 125 2HD2 ASN 13 2HD2 ASN 13 15.029 5.137 3.127 126 H GLU 14 HN GLU 14 16.337 3.627 -0.797 127 HA GLU 14 HA GLU 14 18.056 1.430 -0.317 128 1HB GLU 14 HB2 GLU 14 18.561 3.064 -2.001 129 2HB GLU 14 HB1 GLU 14 18.538 4.364 -0.812 130 1HG GLU 14 HG2 GLU 14 20.471 2.193 -0.313 131 2HG GLU 14 HG1 GLU 14 20.778 3.189 -1.735 132 H ASN 15 HN ASN 15 16.577 3.277 1.988 133 HA ASN 15 HA ASN 15 18.883 3.010 3.802 134 1HB ASN 15 HB2 ASN 15 18.212 5.392 3.191 135 2HB ASN 15 HB1 ASN 15 16.738 5.106 4.110 136 1HD2 ASN 15 1HD2 ASN 15 20.244 4.669 4.459 137 2HD2 ASN 15 2HD2 ASN 15 20.322 5.232 6.090 138 H ASN 16 HN ASN 16 17.103 0.927 3.460 139 HA ASN 16 HA ASN 16 15.603 -0.438 4.516 140 1HB ASN 16 HB2 ASN 16 16.083 -0.836 6.849 141 2HB ASN 16 HB1 ASN 16 17.597 -0.522 6.007 142 1HD2 ASN 16 1HD2 ASN 16 15.231 0.756 8.226 143 2HD2 ASN 16 2HD2 ASN 16 16.235 1.997 8.890 144 H GLU 17 HN GLU 17 14.684 2.292 3.937 145 HA GLU 17 HA GLU 17 12.600 2.544 5.998 146 1HB GLU 17 HB2 GLU 17 13.577 4.698 4.122 147 2HB GLU 17 HB1 GLU 17 12.399 4.888 5.402 148 1HG GLU 17 HG2 GLU 17 14.554 3.890 6.746 149 2HG GLU 17 HG1 GLU 17 15.307 4.898 5.511 150 H ILE 18 HN ILE 18 10.480 3.286 5.162 151 HA ILE 18 HA ILE 18 10.015 2.311 2.423 152 HB ILE 18 HB ILE 18 9.166 1.131 4.787 153 1HG1 ILE 18 2HG1 ILE 18 7.589 0.428 2.422 154 2HG1 ILE 18 1HG1 ILE 18 9.322 0.483 2.147 155 1HG2 ILE 18 1HG2 ILE 18 6.794 1.270 4.881 156 2HG2 ILE 18 2HG2 ILE 18 6.736 2.276 3.434 157 3HG2 ILE 18 3HG2 ILE 18 7.422 2.915 4.927 158 1HD1 ILE 18 1HD1 ILE 18 9.570 -1.002 4.166 159 2HD1 ILE 18 2HD1 ILE 18 8.826 -1.733 2.745 160 3HD1 ILE 18 3HD1 ILE 18 7.824 -1.224 4.101 161 H PHE 19 HN PHE 19 8.831 3.594 1.114 162 HA PHE 19 HA PHE 19 7.978 6.159 2.153 163 1HB PHE 19 HB2 PHE 19 8.812 6.722 0.139 164 2HB PHE 19 HB1 PHE 19 8.726 5.071 -0.450 165 HD1 PHE 19 HD1 PHE 19 6.008 7.431 0.566 166 HD2 PHE 19 HD2 PHE 19 7.817 5.173 -2.554 167 HE1 PHE 19 HE1 PHE 19 4.167 8.046 -0.947 168 HE2 PHE 19 HE2 PHE 19 5.977 5.785 -4.066 169 HZ PHE 19 HZ PHE 19 4.153 7.225 -3.264 170 H ILE 20 HN ILE 20 5.987 6.673 2.712 171 HA ILE 20 HA ILE 20 3.760 4.993 1.767 172 HB ILE 20 HB ILE 20 3.013 6.288 4.186 173 1HG1 ILE 20 2HG1 ILE 20 5.414 4.523 4.635 174 2HG1 ILE 20 1HG1 ILE 20 5.552 6.275 4.542 175 1HG2 ILE 20 1HG2 ILE 20 2.497 3.962 2.953 176 2HG2 ILE 20 2HG2 ILE 20 2.100 4.285 4.641 177 3HG2 ILE 20 3HG2 ILE 20 3.571 3.400 4.233 178 1HD1 ILE 20 1HD1 ILE 20 3.684 4.936 6.462 179 2HD1 ILE 20 2HD1 ILE 20 4.301 6.588 6.489 180 3HD1 ILE 20 3HD1 ILE 20 5.378 5.239 6.847 181 H THR 21 HN THR 21 2.312 6.091 0.602 182 HA THR 21 HA THR 21 2.507 8.911 0.269 183 HB THR 21 HB THR 21 0.724 8.704 -1.295 184 HG1 THR 21 HG1 THR 21 0.184 6.223 -0.044 185 1HG2 THR 21 1HG2 THR 21 1.315 6.401 -2.427 186 2HG2 THR 21 2HG2 THR 21 2.668 6.472 -1.299 187 3HG2 THR 21 3HG2 THR 21 2.425 7.771 -2.466 188 H ARG 22 HN ARG 22 1.852 10.331 1.745 189 HA ARG 22 HA ARG 22 -0.443 9.676 3.441 190 1HB ARG 22 HB2 ARG 22 1.860 10.563 4.289 191 2HB ARG 22 HB1 ARG 22 1.258 12.127 3.761 192 1HG ARG 22 HG2 ARG 22 -0.706 10.736 5.354 193 2HG ARG 22 HG1 ARG 22 0.824 10.903 6.215 194 1HD ARG 22 HD2 ARG 22 0.576 13.378 5.160 195 2HD ARG 22 HD1 ARG 22 -1.121 12.954 5.384 196 HE ARG 22 HE ARG 22 -0.832 13.149 7.642 197 1HH1 ARG 22 1HH1 ARG 22 2.305 12.898 6.133 198 2HH1 ARG 22 2HH1 ARG 22 3.172 13.231 7.593 199 1HH2 ARG 22 1HH2 ARG 22 0.308 13.588 9.565 200 2HH2 ARG 22 2HH2 ARG 22 2.039 13.622 9.542 201 H ARG 23 HN ARG 23 -1.813 11.691 4.012 202 HA ARG 23 HA ARG 23 -3.114 12.534 1.660 203 1HB ARG 23 HB2 ARG 23 -3.314 13.671 4.452 204 2HB ARG 23 HB1 ARG 23 -4.452 13.969 3.144 205 1HG ARG 23 HG2 ARG 23 -3.923 11.147 3.875 206 2HG ARG 23 HG1 ARG 23 -4.868 12.123 5.000 207 1HD ARG 23 HD2 ARG 23 -6.555 11.346 3.680 208 2HD ARG 23 HD1 ARG 23 -6.133 12.801 2.777 209 HE ARG 23 HE ARG 23 -4.658 10.511 1.911 210 1HH1 ARG 23 1HH1 ARG 23 -7.717 12.166 1.618 211 2HH1 ARG 23 2HH1 ARG 23 -8.062 11.514 0.052 212 1HH2 ARG 23 1HH2 ARG 23 -5.111 9.651 -0.149 213 2HH2 ARG 23 2HH2 ARG 23 -6.584 10.085 -0.951 214 H ALA 24 HN ALA 24 -0.272 13.626 3.039 215 HA ALA 24 HA ALA 24 1.159 15.280 2.423 216 1HB ALA 24 HB1 ALA 24 -0.631 15.176 0.259 217 2HB ALA 24 HB2 ALA 24 0.980 15.894 0.299 218 3HB ALA 24 HB3 ALA 24 -0.435 16.883 0.661 219 H ALA 25 HN ALA 25 -1.448 15.569 4.234 220 HA ALA 25 HA ALA 25 -2.287 17.111 5.680 221 1HB ALA 25 HB1 ALA 25 0.041 18.912 5.378 222 2HB ALA 25 HB2 ALA 25 0.367 17.263 5.911 223 3HB ALA 25 HB3 ALA 25 -0.731 18.287 6.835 224 H ASP 26 HN ASP 26 -3.862 17.623 3.967 225 HA ASP 26 HA ASP 26 -4.236 20.378 3.681 226 1HB ASP 26 HB2 ASP 26 -4.008 20.487 1.146 227 2HB ASP 26 HB1 ASP 26 -2.505 20.470 2.062 228 H ALA 27 HN ALA 27 -6.020 18.815 4.607 229 HA ALA 27 HA ALA 27 -8.241 19.008 2.905 230 1HB ALA 27 HB1 ALA 27 -7.806 16.121 3.314 231 2HB ALA 27 HB2 ALA 27 -6.777 16.895 2.109 232 3HB ALA 27 HB3 ALA 27 -8.532 16.980 1.956 233 H HIS 28 HN HIS 28 -9.988 17.198 3.841 234 HA HIS 28 HA HIS 28 -10.077 17.835 6.698 235 1HB HIS 28 HB2 HIS 28 -11.985 18.130 4.780 236 2HB HIS 28 HB1 HIS 28 -12.426 16.560 5.443 237 HD1 HIS 28 HD1 HIS 28 -13.108 16.510 7.984 238 HD2 HIS 28 HD2 HIS 28 -12.563 20.305 6.384 239 HE1 HIS 28 HE1 HIS 28 -14.155 18.092 9.635 240 HE2 HIS 28 HE2 HIS 28 -13.888 20.375 8.604 241 H MET 29 HN MET 29 -8.420 15.678 5.601 242 HA MET 29 HA MET 29 -9.055 13.665 7.495 243 1HB MET 29 HB2 MET 29 -10.025 13.327 4.740 244 2HB MET 29 HB1 MET 29 -9.088 11.967 5.342 245 1HG MET 29 HG2 MET 29 -10.714 11.300 6.711 246 2HG MET 29 HG1 MET 29 -11.066 12.941 7.248 247 1HE MET 29 HE1 MET 29 -12.946 10.154 4.552 248 2HE MET 29 HE2 MET 29 -13.905 10.575 5.971 249 3HE MET 29 HE3 MET 29 -12.223 10.079 6.159 250 H ALA 30 HN ALA 30 -6.826 15.000 7.417 251 HA ALA 30 HA ALA 30 -4.800 13.956 5.711 252 1HB ALA 30 HB1 ALA 30 -4.882 15.780 8.051 253 2HB ALA 30 HB2 ALA 30 -4.206 16.029 6.441 254 3HB ALA 30 HB3 ALA 30 -3.336 15.049 7.621 255 H ASN 31 HN ASN 31 -6.364 12.611 8.360 256 HA ASN 31 HA ASN 31 -4.057 11.110 9.303 257 1HB ASN 31 HB2 ASN 31 -6.654 11.855 10.363 258 2HB ASN 31 HB1 ASN 31 -6.339 10.139 10.584 259 1HD2 ASN 31 1HD2 ASN 31 -3.936 12.704 10.507 260 2HD2 ASN 31 2HD2 ASN 31 -3.432 12.533 12.150 261 H LYS 32 HN LYS 32 -5.049 10.663 6.577 262 HA LYS 32 HA LYS 32 -5.921 7.871 6.843 263 1HB LYS 32 HB2 LYS 32 -6.852 10.012 5.130 264 2HB LYS 32 HB1 LYS 32 -6.356 8.609 4.192 265 1HG LYS 32 HG2 LYS 32 -8.308 7.672 4.630 266 2HG LYS 32 HG1 LYS 32 -7.866 7.615 6.338 267 1HD LYS 32 HD2 LYS 32 -9.727 8.873 6.579 268 2HD LYS 32 HD1 LYS 32 -8.641 10.189 6.133 269 1HE LYS 32 HE2 LYS 32 -10.610 8.720 4.402 270 2HE LYS 32 HE1 LYS 32 -10.547 10.443 4.770 271 1HZ LYS 32 HZ1 LYS 32 -9.682 10.303 2.642 272 2HZ LYS 32 HZ2 LYS 32 -8.823 8.880 2.958 273 3HZ LYS 32 HZ3 LYS 32 -8.286 10.351 3.599 274 H LEU 33 HN LEU 33 -3.206 8.944 6.913 275 HA LEU 33 HA LEU 33 -1.658 8.691 4.691 276 1HB LEU 33 HB2 LEU 33 -0.968 9.094 7.118 277 2HB LEU 33 HB1 LEU 33 -0.926 7.351 7.287 278 HG LEU 33 HG LEU 33 0.726 8.865 5.273 279 1HD1 LEU 33 1HD1 LEU 33 2.597 8.599 6.781 280 2HD1 LEU 33 2HD1 LEU 33 1.556 7.820 7.974 281 3HD1 LEU 33 3HD1 LEU 33 1.315 9.519 7.567 282 1HD2 LEU 33 1HD2 LEU 33 0.935 6.791 4.448 283 2HD2 LEU 33 2HD2 LEU 33 0.286 6.043 5.908 284 3HD2 LEU 33 3HD2 LEU 33 1.985 6.511 5.837 285 H GLU 34 HN GLU 34 -1.433 7.161 3.156 286 HA GLU 34 HA GLU 34 -1.628 4.350 3.948 287 1HB GLU 34 HB2 GLU 34 -3.447 5.789 2.107 288 2HB GLU 34 HB1 GLU 34 -2.917 4.195 1.589 289 1HG GLU 34 HG2 GLU 34 -4.024 3.124 3.271 290 2HG GLU 34 HG1 GLU 34 -3.939 4.508 4.359 291 H PHE 35 HN PHE 35 -1.331 3.023 1.703 292 HA PHE 35 HA PHE 35 1.121 4.105 0.482 293 1HB PHE 35 HB2 PHE 35 1.055 1.240 0.298 294 2HB PHE 35 HB1 PHE 35 2.249 2.270 1.073 295 HD1 PHE 35 HD1 PHE 35 -1.205 1.004 1.743 296 HD2 PHE 35 HD2 PHE 35 2.666 1.868 3.283 297 HE1 PHE 35 HE1 PHE 35 -1.888 0.133 3.940 298 HE2 PHE 35 HE2 PHE 35 1.990 1.002 5.483 299 HZ PHE 35 HZ PHE 35 -0.290 0.132 5.814 300 HA PRO 36 HA PRO 36 -0.364 3.531 -3.633 301 1HB PRO 36 HB2 PRO 36 1.607 1.951 -4.757 302 2HB PRO 36 HB1 PRO 36 1.710 3.703 -4.565 303 1HG PRO 36 HG2 PRO 36 2.853 1.538 -2.851 304 2HG PRO 36 HG1 PRO 36 3.577 3.081 -3.343 305 1HD PRO 36 HD2 PRO 36 2.551 2.745 -0.895 306 2HD PRO 36 HD1 PRO 36 2.379 4.287 -1.759 307 H GLY 37 HN GLY 37 -1.032 1.844 -5.256 308 1HA GLY 37 HA2 GLY 37 -1.502 -0.461 -5.744 309 2HA GLY 37 HA1 GLY 37 -1.356 -0.798 -4.046 310 H GLY 38 HN GLY 38 -3.250 1.301 -6.070 311 1HA GLY 38 HA2 GLY 38 -5.703 0.330 -4.766 312 2HA GLY 38 HA1 GLY 38 -5.442 2.042 -5.085 313 H LYS 39 HN LYS 39 -7.164 -0.471 -6.141 314 HA LYS 39 HA LYS 39 -8.614 -0.313 -7.983 315 1HB LYS 39 HB2 LYS 39 -7.577 1.821 -8.745 316 2HB LYS 39 HB1 LYS 39 -6.320 0.880 -9.537 317 1HG LYS 39 HG2 LYS 39 -7.587 0.584 -11.313 318 2HG LYS 39 HG1 LYS 39 -8.875 -0.111 -10.331 319 1HD LYS 39 HD2 LYS 39 -9.582 1.884 -11.641 320 2HD LYS 39 HD1 LYS 39 -9.805 2.059 -9.900 321 1HE LYS 39 HE2 LYS 39 -7.213 2.984 -10.942 322 2HE LYS 39 HE1 LYS 39 -8.615 3.905 -11.484 323 1HZ LYS 39 HZ1 LYS 39 -8.384 4.986 -9.562 324 2HZ LYS 39 HZ2 LYS 39 -7.385 3.802 -8.887 325 3HZ LYS 39 HZ3 LYS 39 -9.065 3.620 -8.832 326 H ILE 40 HN ILE 40 -5.926 -2.006 -7.306 327 HA ILE 40 HA ILE 40 -5.236 -3.432 -9.565 328 HB ILE 40 HB ILE 40 -4.327 -5.090 -8.234 329 1HG1 ILE 40 2HG1 ILE 40 -5.684 -4.590 -5.687 330 2HG1 ILE 40 1HG1 ILE 40 -6.778 -5.150 -6.942 331 1HG2 ILE 40 1HG2 ILE 40 -4.322 -3.128 -6.047 332 2HG2 ILE 40 2HG2 ILE 40 -3.860 -2.510 -7.630 333 3HG2 ILE 40 3HG2 ILE 40 -2.980 -3.863 -6.921 334 1HD1 ILE 40 1HD1 ILE 40 -5.398 -6.784 -5.342 335 2HD1 ILE 40 2HD1 ILE 40 -4.262 -6.645 -6.685 336 3HD1 ILE 40 3HD1 ILE 40 -5.905 -7.214 -6.975 337 H GLU 41 HN GLU 41 -8.086 -3.551 -7.696 338 HA GLU 41 HA GLU 41 -9.198 -5.982 -8.178 339 1HB GLU 41 HB2 GLU 41 -11.422 -4.605 -8.352 340 2HB GLU 41 HB1 GLU 41 -10.513 -4.651 -6.853 341 1HG GLU 41 HG2 GLU 41 -10.328 -2.457 -6.851 342 2HG GLU 41 HG1 GLU 41 -9.559 -2.471 -8.428 343 H MET 42 HN MET 42 -10.376 -3.282 -10.137 344 HA MET 42 HA MET 42 -11.346 -3.378 -12.237 345 1HB MET 42 HB2 MET 42 -8.438 -4.075 -12.598 346 2HB MET 42 HB1 MET 42 -9.502 -3.758 -13.961 347 1HG MET 42 HG2 MET 42 -8.953 -1.836 -11.713 348 2HG MET 42 HG1 MET 42 -8.178 -1.800 -13.296 349 1HE MET 42 HE1 MET 42 -9.744 -1.986 -15.483 350 2HE MET 42 HE2 MET 42 -11.308 -1.181 -15.614 351 3HE MET 42 HE3 MET 42 -11.197 -2.775 -14.868 352 H GLY 43 HN GLY 43 -9.040 -5.949 -12.952 353 1HA GLY 43 HA2 GLY 43 -11.008 -8.043 -12.856 354 2HA GLY 43 HA1 GLY 43 -10.653 -7.506 -14.484 355 H GLU 44 HN GLU 44 -8.221 -7.441 -12.037 356 HA GLU 44 HA GLU 44 -6.706 -9.436 -13.546 357 1HB GLU 44 HB2 GLU 44 -6.012 -7.217 -11.697 358 2HB GLU 44 HB1 GLU 44 -4.930 -8.603 -11.730 359 1HG GLU 44 HG2 GLU 44 -4.042 -7.088 -13.271 360 2HG GLU 44 HG1 GLU 44 -4.858 -8.312 -14.243 361 H THR 45 HN THR 45 -5.040 -10.584 -11.847 362 HA THR 45 HA THR 45 -6.809 -12.050 -10.010 363 HB THR 45 HB THR 45 -4.249 -13.320 -10.480 364 HG1 THR 45 HG1 THR 45 -4.271 -12.315 -12.475 365 1HG2 THR 45 1HG2 THR 45 -5.701 -14.931 -9.951 366 2HG2 THR 45 2HG2 THR 45 -6.057 -14.927 -11.679 367 3HG2 THR 45 3HG2 THR 45 -7.088 -14.030 -10.564 368 HA PRO 46 HA PRO 46 -4.843 -10.763 -6.289 369 1HB PRO 46 HB2 PRO 46 -3.869 -13.283 -5.419 370 2HB PRO 46 HB1 PRO 46 -5.378 -12.500 -4.951 371 1HG PRO 46 HG2 PRO 46 -4.889 -14.585 -7.010 372 2HG PRO 46 HG1 PRO 46 -6.313 -14.321 -5.988 373 1HD PRO 46 HD2 PRO 46 -6.351 -13.676 -8.572 374 2HD PRO 46 HD1 PRO 46 -7.142 -12.636 -7.370 375 H GLU 47 HN GLU 47 -3.079 -12.762 -8.558 376 HA GLU 47 HA GLU 47 -0.521 -11.972 -7.403 377 1HB GLU 47 HB2 GLU 47 -1.465 -14.143 -9.122 378 2HB GLU 47 HB1 GLU 47 0.068 -13.457 -9.640 379 1HG GLU 47 HG2 GLU 47 -0.234 -14.098 -6.766 380 2HG GLU 47 HG1 GLU 47 -0.094 -15.444 -7.895 381 H GLN 48 HN GLN 48 -2.174 -11.783 -10.575 382 HA GLN 48 HA GLN 48 -0.118 -10.073 -11.643 383 1HB GLN 48 HB2 GLN 48 -2.485 -11.466 -12.653 384 2HB GLN 48 HB1 GLN 48 -2.241 -9.888 -13.387 385 1HG GLN 48 HG2 GLN 48 0.048 -10.539 -13.986 386 2HG GLN 48 HG1 GLN 48 -0.241 -12.133 -13.292 387 1HE2 GLN 48 1HE2 GLN 48 0.518 -11.658 -15.957 388 2HE2 GLN 48 2HE2 GLN 48 -0.768 -12.179 -16.985 389 H ALA 49 HN ALA 49 -3.122 -9.617 -9.999 390 HA ALA 49 HA ALA 49 -3.906 -7.112 -10.895 391 1HB ALA 49 HB1 ALA 49 -5.132 -6.893 -8.850 392 2HB ALA 49 HB2 ALA 49 -4.109 -8.088 -8.052 393 3HB ALA 49 HB3 ALA 49 -5.193 -8.584 -9.352 394 H VAL 50 HN VAL 50 -1.655 -7.936 -8.273 395 HA VAL 50 HA VAL 50 -1.036 -5.174 -7.765 396 HB VAL 50 HB VAL 50 0.254 -5.862 -5.990 397 1HG1 VAL 50 1HG1 VAL 50 -1.066 -8.471 -5.930 398 2HG1 VAL 50 2HG1 VAL 50 -2.146 -7.118 -6.270 399 3HG1 VAL 50 3HG1 VAL 50 -1.166 -7.117 -4.805 400 1HG2 VAL 50 1HG2 VAL 50 0.809 -8.481 -7.387 401 2HG2 VAL 50 2HG2 VAL 50 1.456 -7.982 -5.823 402 3HG2 VAL 50 3HG2 VAL 50 1.914 -7.108 -7.284 403 H VAL 51 HN VAL 51 0.668 -7.917 -9.232 404 HA VAL 51 HA VAL 51 3.066 -6.650 -9.832 405 HB VAL 51 HB VAL 51 1.714 -8.793 -11.480 406 1HG1 VAL 51 1HG1 VAL 51 4.322 -7.495 -11.610 407 2HG1 VAL 51 2HG1 VAL 51 3.485 -8.485 -12.806 408 3HG1 VAL 51 3HG1 VAL 51 4.419 -9.255 -11.523 409 1HG2 VAL 51 1HG2 VAL 51 2.309 -10.362 -9.972 410 2HG2 VAL 51 2HG2 VAL 51 2.246 -9.009 -8.843 411 3HG2 VAL 51 3HG2 VAL 51 3.791 -9.520 -9.521 412 H ARG 52 HN ARG 52 0.011 -6.670 -11.573 413 HA ARG 52 HA ARG 52 1.095 -5.313 -13.851 414 1HB ARG 52 HB2 ARG 52 -1.710 -5.998 -12.999 415 2HB ARG 52 HB1 ARG 52 -1.385 -5.031 -14.430 416 1HG ARG 52 HG2 ARG 52 0.225 -7.079 -14.965 417 2HG ARG 52 HG1 ARG 52 -0.952 -7.916 -13.950 418 1HD ARG 52 HD2 ARG 52 -2.598 -6.491 -15.554 419 2HD ARG 52 HD1 ARG 52 -1.244 -6.773 -16.648 420 HE ARG 52 HE ARG 52 -1.711 -9.224 -15.612 421 1HH1 ARG 52 1HH1 ARG 52 -3.771 -6.851 -17.132 422 2HH1 ARG 52 2HH1 ARG 52 -4.856 -8.030 -17.788 423 1HH2 ARG 52 1HH2 ARG 52 -3.137 -10.776 -16.475 424 2HH2 ARG 52 2HH2 ARG 52 -4.497 -10.259 -17.415 425 H GLU 53 HN GLU 53 -1.080 -4.385 -11.194 426 HA GLU 53 HA GLU 53 -1.259 -1.668 -11.958 427 1HB GLU 53 HB2 GLU 53 -1.994 -3.263 -9.566 428 2HB GLU 53 HB1 GLU 53 -1.822 -1.531 -9.340 429 1HG GLU 53 HG2 GLU 53 -3.703 -2.957 -11.197 430 2HG GLU 53 HG1 GLU 53 -4.105 -1.986 -9.782 431 H LEU 54 HN LEU 54 1.135 -3.463 -10.209 432 HA LEU 54 HA LEU 54 2.310 -1.522 -8.632 433 1HB LEU 54 HB2 LEU 54 3.013 -4.087 -9.589 434 2HB LEU 54 HB1 LEU 54 4.372 -3.035 -9.929 435 HG LEU 54 HG LEU 54 4.537 -2.414 -7.593 436 1HD1 LEU 54 1HD1 LEU 54 2.935 -4.177 -6.203 437 2HD1 LEU 54 2HD1 LEU 54 1.879 -3.578 -7.482 438 3HD1 LEU 54 3HD1 LEU 54 2.667 -2.444 -6.385 439 1HD2 LEU 54 1HD2 LEU 54 5.903 -4.185 -7.730 440 2HD2 LEU 54 2HD2 LEU 54 4.686 -5.196 -8.506 441 3HD2 LEU 54 3HD2 LEU 54 4.669 -4.984 -6.755 442 H GLN 55 HN GLN 55 2.791 -2.175 -12.075 443 HA GLN 55 HA GLN 55 4.772 -0.222 -12.522 444 1HB GLN 55 HB2 GLN 55 3.178 -2.022 -14.100 445 2HB GLN 55 HB1 GLN 55 3.164 -0.431 -14.851 446 1HG GLN 55 HG2 GLN 55 5.048 -1.137 -15.824 447 2HG GLN 55 HG1 GLN 55 5.792 -0.689 -14.290 448 1HE2 GLN 55 1HE2 GLN 55 4.132 -3.419 -15.828 449 2HE2 GLN 55 2HE2 GLN 55 5.136 -4.643 -15.137 450 H GLU 56 HN GLU 56 1.293 -0.133 -12.349 451 HA GLU 56 HA GLU 56 1.017 2.560 -13.299 452 1HB GLU 56 HB2 GLU 56 -0.718 0.591 -13.242 453 2HB GLU 56 HB1 GLU 56 -1.057 1.198 -11.633 454 1HG GLU 56 HG2 GLU 56 -1.042 3.443 -13.300 455 2HG GLU 56 HG1 GLU 56 -1.924 2.194 -14.178 456 H GLU 57 HN GLU 57 1.562 1.020 -10.214 457 HA GLU 57 HA GLU 57 1.061 3.589 -8.887 458 1HB GLU 57 HB2 GLU 57 1.139 0.786 -7.791 459 2HB GLU 57 HB1 GLU 57 1.044 2.219 -6.777 460 1HG GLU 57 HG2 GLU 57 -1.146 2.333 -7.058 461 2HG GLU 57 HG1 GLU 57 -0.956 2.374 -8.808 462 H VAL 58 HN VAL 58 3.578 2.148 -10.242 463 HA VAL 58 HA VAL 58 5.455 3.296 -8.308 464 HB VAL 58 HB VAL 58 6.055 0.725 -9.773 465 1HG1 VAL 58 1HG1 VAL 58 7.649 1.015 -7.496 466 2HG1 VAL 58 2HG1 VAL 58 7.608 2.609 -8.248 467 3HG1 VAL 58 3HG1 VAL 58 8.140 1.208 -9.179 468 1HG2 VAL 58 1HG2 VAL 58 5.963 0.213 -7.031 469 2HG2 VAL 58 2HG2 VAL 58 4.852 -0.373 -8.267 470 3HG2 VAL 58 3HG2 VAL 58 4.491 1.115 -7.392 471 H GLY 59 HN GLY 59 4.902 2.054 -11.561 472 1HA GLY 59 HA2 GLY 59 5.488 2.898 -13.598 473 2HA GLY 59 HA1 GLY 59 5.972 4.364 -12.792 474 H ILE 60 HN ILE 60 7.941 3.384 -11.175 475 HA ILE 60 HA ILE 60 10.111 3.148 -13.007 476 HB ILE 60 HB ILE 60 11.314 2.753 -10.658 477 1HG1 ILE 60 2HG1 ILE 60 9.298 4.659 -9.666 478 2HG1 ILE 60 1HG1 ILE 60 8.838 2.962 -9.690 479 1HG2 ILE 60 1HG2 ILE 60 10.503 5.553 -11.107 480 2HG2 ILE 60 2HG2 ILE 60 11.282 4.713 -12.447 481 3HG2 ILE 60 3HG2 ILE 60 12.110 4.858 -10.897 482 1HD1 ILE 60 1HD1 ILE 60 9.730 3.258 -7.576 483 2HD1 ILE 60 2HD1 ILE 60 11.042 4.275 -8.169 484 3HD1 ILE 60 3HD1 ILE 60 11.057 2.542 -8.488 485 H THR 61 HN THR 61 11.945 1.576 -12.055 486 HA THR 61 HA THR 61 10.794 -1.120 -12.078 487 HB THR 61 HB THR 61 13.291 -1.539 -12.789 488 HG1 THR 61 HG1 THR 61 14.280 0.153 -13.695 489 1HG2 THR 61 1HG2 THR 61 11.367 -0.256 -14.708 490 2HG2 THR 61 2HG2 THR 61 11.370 -1.965 -14.258 491 3HG2 THR 61 3HG2 THR 61 12.740 -1.281 -15.134 492 HA PRO 62 HA PRO 62 12.984 -0.875 -8.084 493 1HB PRO 62 HB2 PRO 62 10.965 -0.982 -6.443 494 2HB PRO 62 HB1 PRO 62 11.074 0.401 -7.538 495 1HG PRO 62 HG2 PRO 62 9.334 -2.022 -7.730 496 2HG PRO 62 HG1 PRO 62 8.945 -0.333 -8.098 497 1HD PRO 62 HD2 PRO 62 9.816 -2.331 -9.929 498 2HD PRO 62 HD1 PRO 62 9.605 -0.600 -10.245 499 H GLN 63 HN GLN 63 13.504 -2.354 -6.467 500 HA GLN 63 HA GLN 63 12.979 -5.137 -7.049 501 1HB GLN 63 HB2 GLN 63 14.502 -3.696 -4.870 502 2HB GLN 63 HB1 GLN 63 14.313 -5.445 -4.892 503 1HG GLN 63 HG2 GLN 63 15.480 -5.576 -7.005 504 2HG GLN 63 HG1 GLN 63 15.602 -3.820 -7.069 505 1HE2 GLN 63 1HE2 GLN 63 17.854 -3.930 -7.178 506 2HE2 GLN 63 2HE2 GLN 63 18.817 -4.311 -5.795 507 H HIS 64 HN HIS 64 10.708 -4.920 -6.869 508 HA HIS 64 HA HIS 64 9.714 -4.819 -4.100 509 1HB HIS 64 HB2 HIS 64 9.028 -2.807 -5.145 510 2HB HIS 64 HB1 HIS 64 8.704 -3.617 -6.641 511 HD1 HIS 64 HD1 HIS 64 6.545 -1.861 -5.861 512 HD2 HIS 64 HD2 HIS 64 6.747 -5.720 -4.338 513 HE1 HIS 64 HE1 HIS 64 4.212 -2.419 -5.117 514 HE2 HIS 64 HE2 HIS 64 4.376 -4.730 -4.135 515 H PHE 65 HN PHE 65 8.754 -6.630 -3.458 516 HA PHE 65 HA PHE 65 6.923 -8.110 -4.992 517 1HB PHE 65 HB2 PHE 65 9.337 -8.539 -5.987 518 2HB PHE 65 HB1 PHE 65 9.420 -9.660 -4.644 519 HD1 PHE 65 HD1 PHE 65 9.073 -11.837 -5.329 520 HD2 PHE 65 HD2 PHE 65 6.780 -8.720 -7.100 521 HE1 PHE 65 HE1 PHE 65 7.850 -13.501 -6.668 522 HE2 PHE 65 HE2 PHE 65 5.553 -10.377 -8.440 523 HZ PHE 65 HZ PHE 65 6.086 -12.770 -8.227 524 H SER 66 HN SER 66 6.289 -10.150 -3.939 525 HA SER 66 HA SER 66 5.991 -11.585 -2.176 526 1HB SER 66 HB2 SER 66 8.515 -10.899 -1.657 527 2HB SER 66 HB1 SER 66 7.746 -10.056 -0.312 528 HG SER 66 HG SER 66 7.236 -12.777 -0.902 529 H LEU 67 HN LEU 67 4.768 -11.594 -0.199 530 HA LEU 67 HA LEU 67 3.474 -9.002 0.301 531 1HB LEU 67 HB2 LEU 67 1.429 -10.112 0.714 532 2HB LEU 67 HB1 LEU 67 2.077 -10.792 -0.766 533 HG LEU 67 HG LEU 67 3.058 -12.572 0.999 534 1HD1 LEU 67 1HD1 LEU 67 0.758 -12.922 2.378 535 2HD1 LEU 67 2HD1 LEU 67 0.868 -11.163 2.360 536 3HD1 LEU 67 3HD1 LEU 67 2.191 -12.122 3.022 537 1HD2 LEU 67 1HD2 LEU 67 1.792 -13.124 -0.990 538 2HD2 LEU 67 2HD2 LEU 67 0.300 -12.578 -0.223 539 3HD2 LEU 67 3HD2 LEU 67 1.142 -13.999 0.396 540 H PHE 68 HN PHE 68 3.628 -8.156 2.261 541 HA PHE 68 HA PHE 68 4.999 -9.587 4.340 542 1HB PHE 68 HB2 PHE 68 5.553 -7.519 4.991 543 2HB PHE 68 HB1 PHE 68 4.581 -6.878 3.674 544 HD1 PHE 68 HD1 PHE 68 2.177 -6.311 4.107 545 HD2 PHE 68 HD2 PHE 68 4.910 -7.245 7.230 546 HE1 PHE 68 HE1 PHE 68 0.673 -5.244 5.737 547 HE2 PHE 68 HE2 PHE 68 3.411 -6.184 8.864 548 HZ PHE 68 HZ PHE 68 1.291 -5.173 8.120 549 H GLU 69 HN GLU 69 1.721 -8.550 3.663 550 HA GLU 69 HA GLU 69 0.567 -10.534 5.315 551 1HB GLU 69 HB2 GLU 69 1.241 -8.081 6.622 552 2HB GLU 69 HB1 GLU 69 -0.512 -8.193 6.523 553 1HG GLU 69 HG2 GLU 69 0.171 -10.705 7.337 554 2HG GLU 69 HG1 GLU 69 1.385 -9.712 8.141 555 H LYS 70 HN LYS 70 -1.833 -10.385 5.323 556 HA LYS 70 HA LYS 70 -2.932 -8.552 3.329 557 1HB LYS 70 HB2 LYS 70 -4.121 -10.454 2.216 558 2HB LYS 70 HB1 LYS 70 -2.378 -10.455 1.982 559 1HG LYS 70 HG2 LYS 70 -2.079 -12.359 3.167 560 2HG LYS 70 HG1 LYS 70 -3.417 -12.018 4.266 561 1HD LYS 70 HD2 LYS 70 -3.956 -13.929 2.877 562 2HD LYS 70 HD1 LYS 70 -5.005 -12.571 2.463 563 1HE LYS 70 HE2 LYS 70 -3.698 -12.084 0.509 564 2HE LYS 70 HE1 LYS 70 -2.490 -13.285 0.964 565 1HZ LYS 70 HZ1 LYS 70 -3.857 -14.245 -0.692 566 2HZ LYS 70 HZ2 LYS 70 -5.280 -13.777 0.092 567 3HZ LYS 70 HZ3 LYS 70 -4.298 -14.975 0.770 568 H LEU 71 HN LEU 71 -4.908 -7.833 3.851 569 HA LEU 71 HA LEU 71 -6.363 -9.243 5.991 570 1HB LEU 71 HB2 LEU 71 -5.542 -7.194 6.887 571 2HB LEU 71 HB1 LEU 71 -6.049 -6.293 5.471 572 HG LEU 71 HG LEU 71 -8.441 -6.894 6.129 573 1HD1 LEU 71 1HD1 LEU 71 -7.487 -7.203 8.912 574 2HD1 LEU 71 2HD1 LEU 71 -7.355 -8.609 7.855 575 3HD1 LEU 71 3HD1 LEU 71 -8.925 -7.853 8.124 576 1HD2 LEU 71 1HD2 LEU 71 -7.279 -5.229 8.285 577 2HD2 LEU 71 2HD2 LEU 71 -8.627 -4.900 7.195 578 3HD2 LEU 71 3HD2 LEU 71 -6.968 -4.730 6.622 579 H GLU 72 HN GLU 72 -8.264 -10.030 5.397 580 HA GLU 72 HA GLU 72 -9.680 -8.757 3.153 581 1HB GLU 72 HB2 GLU 72 -9.000 -10.817 2.283 582 2HB GLU 72 HB1 GLU 72 -9.233 -11.651 3.813 583 1HG GLU 72 HG2 GLU 72 -11.515 -11.830 3.516 584 2HG GLU 72 HG1 GLU 72 -11.572 -10.507 2.354 585 H TYR 73 HN TYR 73 -11.355 -7.679 3.962 586 HA TYR 73 HA TYR 73 -13.184 -9.080 5.765 587 1HB TYR 73 HB2 TYR 73 -13.423 -7.101 7.197 588 2HB TYR 73 HB1 TYR 73 -11.767 -7.699 7.218 589 HD1 TYR 73 HD1 TYR 73 -13.702 -4.822 7.057 590 HD2 TYR 73 HD2 TYR 73 -10.235 -6.566 5.312 591 HE1 TYR 73 HE1 TYR 73 -12.894 -2.583 6.439 592 HE2 TYR 73 HE2 TYR 73 -9.418 -4.331 4.691 593 HH TYR 73 HH TYR 73 -11.391 -1.527 4.896 594 H GLU 74 HN GLU 74 -15.352 -8.339 5.663 595 HA GLU 74 HA GLU 74 -15.898 -6.568 3.373 596 1HB GLU 74 HB2 GLU 74 -18.070 -7.921 3.176 597 2HB GLU 74 HB1 GLU 74 -16.584 -8.661 2.599 598 1HG GLU 74 HG2 GLU 74 -16.506 -9.666 5.010 599 2HG GLU 74 HG1 GLU 74 -18.232 -9.318 4.990 600 H PHE 75 HN PHE 75 -16.934 -4.796 3.850 601 HA PHE 75 HA PHE 75 -17.957 -4.252 6.445 602 1HB PHE 75 HB2 PHE 75 -17.419 -2.789 4.000 603 2HB PHE 75 HB1 PHE 75 -18.958 -2.300 4.702 604 HD1 PHE 75 HD1 PHE 75 -15.600 -3.205 6.063 605 HD2 PHE 75 HD2 PHE 75 -18.785 -0.385 5.941 606 HE1 PHE 75 HE1 PHE 75 -14.401 -1.787 7.677 607 HE2 PHE 75 HE2 PHE 75 -17.592 1.038 7.555 608 HZ PHE 75 HZ PHE 75 -15.396 0.338 8.425 609 HA PRO 76 HA PRO 76 -22.215 -5.362 6.401 610 1HB PRO 76 HB2 PRO 76 -23.468 -2.874 6.691 611 2HB PRO 76 HB1 PRO 76 -22.917 -3.919 8.003 612 1HG PRO 76 HG2 PRO 76 -21.582 -1.553 6.774 613 2HG PRO 76 HG1 PRO 76 -21.601 -2.082 8.467 614 1HD PRO 76 HD2 PRO 76 -19.457 -2.466 6.920 615 2HD PRO 76 HD1 PRO 76 -19.952 -3.687 8.109 616 H ASP 77 HN ASP 77 -21.982 -5.903 4.142 617 HA ASP 77 HA ASP 77 -23.272 -6.056 2.202 618 1HB ASP 77 HB2 ASP 77 -24.778 -4.203 3.248 619 2HB ASP 77 HB1 ASP 77 -23.844 -3.109 2.231 620 H ARG 78 HN ARG 78 -20.460 -4.999 2.848 621 HA ARG 78 HA ARG 78 -19.821 -4.285 0.081 622 1HB ARG 78 HB2 ARG 78 -19.840 -2.197 1.386 623 2HB ARG 78 HB1 ARG 78 -18.691 -2.895 2.518 624 1HG ARG 78 HG2 ARG 78 -17.530 -3.179 -0.015 625 2HG ARG 78 HG1 ARG 78 -18.210 -1.552 0.032 626 1HD ARG 78 HD2 ARG 78 -17.071 -1.561 2.431 627 2HD ARG 78 HD1 ARG 78 -16.032 -2.754 1.652 628 HE ARG 78 HE ARG 78 -16.214 -0.566 -0.056 629 1HH1 ARG 78 1HH1 ARG 78 -14.975 -1.288 3.125 630 2HH1 ARG 78 2HH1 ARG 78 -13.729 -0.088 3.050 631 1HH2 ARG 78 1HH2 ARG 78 -14.572 1.015 -0.158 632 2HH2 ARG 78 2HH2 ARG 78 -13.500 1.220 1.188 633 H HIS 79 HN HIS 79 -17.824 -5.042 -0.652 634 HA HIS 79 HA HIS 79 -16.427 -6.867 1.194 635 1HB HIS 79 HB2 HIS 79 -17.759 -7.594 -1.089 636 2HB HIS 79 HB1 HIS 79 -16.114 -7.395 -1.684 637 HD1 HIS 79 HD1 HIS 79 -18.188 -9.502 0.611 638 HD2 HIS 79 HD2 HIS 79 -14.283 -9.307 -0.793 639 HE1 HIS 79 HE1 HIS 79 -17.119 -11.674 1.294 640 HE2 HIS 79 HE2 HIS 79 -14.783 -11.569 0.357 641 H ILE 80 HN ILE 80 -14.822 -5.460 1.837 642 HA ILE 80 HA ILE 80 -13.169 -4.248 -0.252 643 HB ILE 80 HB ILE 80 -13.845 -2.604 1.301 644 1HG1 ILE 80 2HG1 ILE 80 -11.197 -3.276 2.505 645 2HG1 ILE 80 1HG1 ILE 80 -11.284 -2.946 0.779 646 1HG2 ILE 80 1HG2 ILE 80 -13.434 -2.884 3.767 647 2HG2 ILE 80 2HG2 ILE 80 -13.107 -4.586 3.442 648 3HG2 ILE 80 3HG2 ILE 80 -14.697 -3.909 3.088 649 1HD1 ILE 80 1HD1 ILE 80 -10.712 -0.921 1.865 650 2HD1 ILE 80 2HD1 ILE 80 -12.012 -1.109 3.041 651 3HD1 ILE 80 3HD1 ILE 80 -12.392 -0.775 1.351 652 H THR 81 HN THR 81 -11.502 -5.454 -0.862 653 HA THR 81 HA THR 81 -10.145 -7.133 1.135 654 HB THR 81 HB THR 81 -9.171 -7.713 -1.461 655 HG1 THR 81 HG1 THR 81 -11.199 -8.293 -2.450 656 1HG2 THR 81 1HG2 THR 81 -10.821 -9.118 0.561 657 2HG2 THR 81 2HG2 THR 81 -9.264 -9.557 -0.140 658 3HG2 THR 81 3HG2 THR 81 -10.745 -9.784 -1.070 659 H LEU 82 HN LEU 82 -8.233 -6.469 1.871 660 HA LEU 82 HA LEU 82 -6.661 -4.629 0.186 661 1HB LEU 82 HB2 LEU 82 -7.100 -4.612 3.163 662 2HB LEU 82 HB1 LEU 82 -5.783 -3.740 2.403 663 HG LEU 82 HG LEU 82 -8.628 -3.268 1.566 664 1HD1 LEU 82 1HD1 LEU 82 -9.001 -2.643 3.702 665 2HD1 LEU 82 2HD1 LEU 82 -8.148 -1.186 3.191 666 3HD1 LEU 82 3HD1 LEU 82 -7.285 -2.453 4.063 667 1HD2 LEU 82 1HD2 LEU 82 -6.435 -2.454 0.369 668 2HD2 LEU 82 2HD2 LEU 82 -6.456 -1.231 1.640 669 3HD2 LEU 82 3HD2 LEU 82 -7.826 -1.383 0.539 670 H TRP 83 HN TRP 83 -4.879 -5.587 -0.515 671 HA TRP 83 HA TRP 83 -3.605 -7.623 1.178 672 1HB TRP 83 HB2 TRP 83 -3.375 -7.095 -1.791 673 2HB TRP 83 HB1 TRP 83 -2.406 -8.282 -0.923 674 HD1 TRP 83 HD1 TRP 83 -6.168 -7.725 -0.383 675 HE1 TRP 83 HE1 TRP 83 -7.407 -9.899 -0.977 676 HE3 TRP 83 HE3 TRP 83 -2.225 -10.428 -2.179 677 HZ2 TRP 83 HZ2 TRP 83 -6.789 -12.434 -2.064 678 HZ3 TRP 83 HZ3 TRP 83 -2.630 -12.720 -2.975 679 HH2 TRP 83 HH2 TRP 83 -4.866 -13.701 -2.918 680 H PHE 84 HN PHE 84 -1.823 -7.099 2.207 681 HA PHE 84 HA PHE 84 -0.385 -4.677 1.402 682 1HB PHE 84 HB2 PHE 84 -0.515 -6.220 3.982 683 2HB PHE 84 HB1 PHE 84 0.772 -5.058 3.685 684 HD1 PHE 84 HD1 PHE 84 0.257 -3.422 5.310 685 HD2 PHE 84 HD2 PHE 84 -2.754 -4.743 2.599 686 HE1 PHE 84 HE1 PHE 84 -1.217 -1.606 6.059 687 HE2 PHE 84 HE2 PHE 84 -4.228 -2.926 3.347 688 HZ PHE 84 HZ PHE 84 -3.461 -1.354 5.079 689 H TRP 85 HN TRP 85 1.223 -5.017 0.019 690 HA TRP 85 HA TRP 85 2.687 -7.531 0.101 691 1HB TRP 85 HB2 TRP 85 2.549 -5.315 -1.931 692 2HB TRP 85 HB1 TRP 85 3.699 -6.644 -2.056 693 HD1 TRP 85 HD1 TRP 85 -0.141 -6.410 -1.464 694 HE1 TRP 85 HE1 TRP 85 -1.274 -8.202 -2.921 695 HE3 TRP 85 HE3 TRP 85 4.017 -8.440 -3.633 696 HZ2 TRP 85 HZ2 TRP 85 -0.507 -10.212 -4.748 697 HZ3 TRP 85 HZ3 TRP 85 3.732 -10.296 -5.223 698 HH2 TRP 85 HH2 TRP 85 1.516 -11.163 -5.769 699 H LEU 86 HN LEU 86 4.941 -7.682 0.233 700 HA LEU 86 HA LEU 86 6.154 -5.459 1.701 701 1HB LEU 86 HB2 LEU 86 6.028 -7.857 2.582 702 2HB LEU 86 HB1 LEU 86 7.296 -8.218 1.426 703 HG LEU 86 HG LEU 86 8.140 -7.799 3.719 704 1HD1 LEU 86 1HD1 LEU 86 10.050 -6.930 2.914 705 2HD1 LEU 86 2HD1 LEU 86 9.244 -5.517 2.233 706 3HD1 LEU 86 3HD1 LEU 86 9.227 -7.048 1.358 707 1HD2 LEU 86 1HD2 LEU 86 7.730 -4.890 3.450 708 2HD2 LEU 86 2HD2 LEU 86 7.750 -5.908 4.889 709 3HD2 LEU 86 3HD2 LEU 86 6.308 -5.841 3.876 710 H VAL 87 HN VAL 87 7.103 -4.080 0.359 711 HA VAL 87 HA VAL 87 8.656 -4.979 -1.948 712 HB VAL 87 HB VAL 87 8.187 -2.202 -0.943 713 1HG1 VAL 87 1HG1 VAL 87 9.579 -3.321 -3.270 714 2HG1 VAL 87 2HG1 VAL 87 9.852 -1.818 -2.398 715 3HG1 VAL 87 3HG1 VAL 87 8.552 -1.925 -3.583 716 1HG2 VAL 87 1HG2 VAL 87 6.638 -2.483 -3.185 717 2HG2 VAL 87 2HG2 VAL 87 6.046 -2.589 -1.527 718 3HG2 VAL 87 3HG2 VAL 87 6.470 -4.060 -2.409 719 H GLU 88 HN GLU 88 10.895 -4.623 -2.169 720 HA GLU 88 HA GLU 88 12.125 -3.966 0.414 721 1HB GLU 88 HB2 GLU 88 13.656 -5.452 -1.671 722 2HB GLU 88 HB1 GLU 88 13.793 -5.524 0.079 723 1HG GLU 88 HG2 GLU 88 11.413 -6.581 -1.417 724 2HG GLU 88 HG1 GLU 88 12.836 -7.556 -1.054 725 H ARG 89 HN ARG 89 12.302 -3.054 -3.013 726 HA ARG 89 HA ARG 89 13.817 -0.744 -2.248 727 1HB ARG 89 HB2 ARG 89 15.853 -1.645 -2.425 728 2HB ARG 89 HB1 ARG 89 15.225 -3.113 -3.147 729 1HG ARG 89 HG2 ARG 89 16.584 -2.406 -4.821 730 2HG ARG 89 HG1 ARG 89 15.102 -1.587 -5.305 731 1HD ARG 89 HD2 ARG 89 16.108 0.387 -5.132 732 2HD ARG 89 HD1 ARG 89 16.507 0.062 -3.445 733 HE ARG 89 HE ARG 89 18.657 -0.245 -4.110 734 1HH1 ARG 89 1HH1 ARG 89 16.586 -0.937 -6.833 735 2HH1 ARG 89 2HH1 ARG 89 17.901 -1.241 -7.916 736 1HH2 ARG 89 1HH2 ARG 89 20.389 -0.645 -5.535 737 2HH2 ARG 89 2HH2 ARG 89 20.061 -1.076 -7.180 738 H TRP 90 HN TRP 90 14.387 0.647 -4.149 739 HA TRP 90 HA TRP 90 12.933 0.064 -6.566 740 1HB TRP 90 HB2 TRP 90 11.450 1.885 -6.538 741 2HB TRP 90 HB1 TRP 90 11.316 1.163 -4.942 742 HD1 TRP 90 HD1 TRP 90 13.254 4.099 -6.596 743 HE1 TRP 90 HE1 TRP 90 13.307 6.039 -4.907 744 HE3 TRP 90 HE3 TRP 90 10.934 1.807 -2.665 745 HZ2 TRP 90 HZ2 TRP 90 12.461 6.533 -2.269 746 HZ3 TRP 90 HZ3 TRP 90 10.580 3.091 -0.594 747 HH2 TRP 90 HH2 TRP 90 11.334 5.404 -0.398 748 H GLU 91 HN GLU 91 13.883 0.863 -8.347 749 HA GLU 91 HA GLU 91 16.352 2.319 -8.001 750 1HB GLU 91 HB2 GLU 91 14.929 1.192 -10.408 751 2HB GLU 91 HB1 GLU 91 16.407 2.134 -10.544 752 1HG GLU 91 HG2 GLU 91 17.387 0.434 -8.882 753 2HG GLU 91 HG1 GLU 91 16.000 -0.562 -9.319 754 H GLY 92 HN GLY 92 16.646 4.448 -8.213 755 1HA GLY 92 HA2 GLY 92 16.298 6.631 -8.895 756 2HA GLY 92 HA1 GLY 92 14.993 6.061 -9.925 757 H GLU 93 HN GLU 93 13.036 6.750 -9.393 758 HA GLU 93 HA GLU 93 12.415 7.190 -6.560 759 1HB GLU 93 HB2 GLU 93 11.602 9.105 -8.748 760 2HB GLU 93 HB1 GLU 93 11.343 9.295 -7.019 761 1HG GLU 93 HG2 GLU 93 13.725 9.515 -6.655 762 2HG GLU 93 HG1 GLU 93 14.033 9.235 -8.368 763 HA PRO 94 HA PRO 94 8.737 4.952 -7.697 764 1HB PRO 94 HB2 PRO 94 7.449 5.850 -5.267 765 2HB PRO 94 HB1 PRO 94 8.115 4.257 -5.628 766 1HG PRO 94 HG2 PRO 94 9.182 5.952 -3.777 767 2HG PRO 94 HG1 PRO 94 10.123 4.738 -4.658 768 1HD PRO 94 HD2 PRO 94 9.880 7.679 -5.165 769 2HD PRO 94 HD1 PRO 94 11.319 6.641 -5.227 770 H TRP 95 HN TRP 95 7.095 5.573 -9.019 771 HA TRP 95 HA TRP 95 5.732 8.054 -8.326 772 1HB TRP 95 HB2 TRP 95 5.672 8.674 -10.776 773 2HB TRP 95 HB1 TRP 95 7.226 8.838 -9.975 774 HD1 TRP 95 HD1 TRP 95 9.167 7.143 -10.726 775 HE1 TRP 95 HE1 TRP 95 9.516 5.796 -12.899 776 HE3 TRP 95 HE3 TRP 95 4.390 7.265 -12.525 777 HZ2 TRP 95 HZ2 TRP 95 7.972 4.934 -15.091 778 HZ3 TRP 95 HZ3 TRP 95 3.910 6.168 -14.673 779 HH2 TRP 95 HH2 TRP 95 5.662 5.015 -15.923 780 H GLY 96 HN GLY 96 5.578 5.614 -10.916 781 1HA GLY 96 HA2 GLY 96 3.757 4.545 -11.840 782 2HA GLY 96 HA1 GLY 96 3.249 4.356 -10.175 783 H LYS 97 HN LYS 97 1.555 5.516 -9.402 784 HA LYS 97 HA LYS 97 0.587 7.937 -10.337 785 1HB LYS 97 HB2 LYS 97 0.134 6.004 -12.262 786 2HB LYS 97 HB1 LYS 97 -1.397 6.072 -11.401 787 1HG LYS 97 HG2 LYS 97 -0.930 8.700 -11.725 788 2HG LYS 97 HG1 LYS 97 -0.116 8.059 -13.153 789 1HD LYS 97 HD2 LYS 97 -2.324 6.679 -13.423 790 2HD LYS 97 HD1 LYS 97 -3.003 7.947 -12.399 791 1HE LYS 97 HE2 LYS 97 -1.416 8.563 -14.875 792 2HE LYS 97 HE1 LYS 97 -3.155 8.275 -14.924 793 1HZ LYS 97 HZ1 LYS 97 -1.958 10.296 -13.126 794 2HZ LYS 97 HZ2 LYS 97 -3.569 10.155 -13.622 795 3HZ LYS 97 HZ3 LYS 97 -2.389 10.664 -14.721 796 H GLU 98 HN GLU 98 0.860 6.685 -7.865 797 HA GLU 98 HA GLU 98 -1.469 5.524 -6.822 798 1HB GLU 98 HB2 GLU 98 -0.571 6.461 -4.612 799 2HB GLU 98 HB1 GLU 98 0.465 5.352 -5.498 800 1HG GLU 98 HG2 GLU 98 1.269 7.756 -6.490 801 2HG GLU 98 HG1 GLU 98 0.856 8.168 -4.835 802 H GLY 99 HN GLY 99 -0.394 8.936 -6.747 803 1HA GLY 99 HA2 GLY 99 -2.186 10.550 -7.390 804 2HA GLY 99 HA1 GLY 99 -3.219 9.671 -6.278 805 H GLN 100 HN GLN 100 -0.496 9.586 -4.602 806 HA GLN 100 HA GLN 100 -0.632 12.340 -3.610 807 1HB GLN 100 HB2 GLN 100 -1.841 10.117 -2.313 808 2HB GLN 100 HB1 GLN 100 -0.459 10.613 -1.345 809 1HG GLN 100 HG2 GLN 100 -2.821 12.277 -2.167 810 2HG GLN 100 HG1 GLN 100 -2.361 11.777 -0.540 811 1HE2 GLN 100 1HE2 GLN 100 0.389 12.310 -0.717 812 2HE2 GLN 100 2HE2 GLN 100 0.606 14.021 -0.796 813 HA PRO 101 HA PRO 101 3.814 11.517 -4.184 814 1HB PRO 101 HB2 PRO 101 3.568 14.222 -2.913 815 2HB PRO 101 HB1 PRO 101 4.664 13.691 -4.197 816 1HG PRO 101 HG2 PRO 101 2.518 15.092 -4.814 817 2HG PRO 101 HG1 PRO 101 2.964 13.688 -5.803 818 1HD PRO 101 HD2 PRO 101 0.782 13.974 -3.796 819 2HD PRO 101 HD1 PRO 101 0.827 13.013 -5.288 820 H GLY 102 HN GLY 102 5.286 10.742 -2.726 821 1HA GLY 102 HA2 GLY 102 4.805 11.295 0.130 822 2HA GLY 102 HA1 GLY 102 5.031 9.650 -0.426 823 H GLU 103 HN GLU 103 6.693 10.268 1.462 824 HA GLU 103 HA GLU 103 9.245 10.785 0.087 825 1HB GLU 103 HB2 GLU 103 10.059 11.861 2.188 826 2HB GLU 103 HB1 GLU 103 8.786 12.762 1.376 827 1HG GLU 103 HG2 GLU 103 7.239 11.407 3.012 828 2HG GLU 103 HG1 GLU 103 8.725 11.292 3.956 829 H TRP 104 HN TRP 104 11.115 9.758 1.095 830 HA TRP 104 HA TRP 104 10.489 7.098 1.973 831 1HB TRP 104 HB2 TRP 104 13.289 8.104 2.195 832 2HB TRP 104 HB1 TRP 104 12.696 6.584 1.540 833 HD1 TRP 104 HD1 TRP 104 10.724 7.896 -0.663 834 HE1 TRP 104 HE1 TRP 104 11.770 8.957 -2.764 835 HE3 TRP 104 HE3 TRP 104 15.456 8.698 1.100 836 HZ2 TRP 104 HZ2 TRP 104 14.270 9.993 -3.566 837 HZ3 TRP 104 HZ3 TRP 104 17.115 9.727 -0.397 838 HH2 TRP 104 HH2 TRP 104 16.532 10.361 -2.682 839 H MET 105 HN MET 105 9.737 6.827 3.972 840 HA MET 105 HA MET 105 11.173 8.135 6.187 841 1HB MET 105 HB2 MET 105 8.949 7.818 7.437 842 2HB MET 105 HB1 MET 105 9.045 9.105 6.244 843 1HG MET 105 HG2 MET 105 7.989 7.542 4.602 844 2HG MET 105 HG1 MET 105 7.731 6.420 5.937 845 1HE MET 105 HE1 MET 105 6.688 9.946 4.397 846 2HE MET 105 HE2 MET 105 4.970 9.609 4.604 847 3HE MET 105 HE3 MET 105 5.994 8.464 3.738 848 H SER 106 HN SER 106 11.504 6.931 8.091 849 HA SER 106 HA SER 106 12.045 4.182 7.677 850 1HB SER 106 HB2 SER 106 12.008 4.591 10.446 851 2HB SER 106 HB1 SER 106 13.412 4.693 9.385 852 HG SER 106 HG SER 106 13.437 6.681 10.098 853 H LEU 107 HN LEU 107 10.583 2.618 7.570 854 HA LEU 107 HA LEU 107 7.916 2.920 8.505 855 1HB LEU 107 HB2 LEU 107 8.887 1.438 6.594 856 2HB LEU 107 HB1 LEU 107 9.127 0.258 7.867 857 HG LEU 107 HG LEU 107 7.007 0.010 6.522 858 1HD1 LEU 107 1HD1 LEU 107 7.525 -0.589 9.093 859 2HD1 LEU 107 2HD1 LEU 107 6.020 -1.001 8.272 860 3HD1 LEU 107 3HD1 LEU 107 6.104 0.437 9.290 861 1HD2 LEU 107 1HD2 LEU 107 5.777 2.149 8.167 862 2HD2 LEU 107 2HD2 LEU 107 5.323 1.540 6.576 863 3HD2 LEU 107 3HD2 LEU 107 6.693 2.637 6.742 864 H VAL 108 HN VAL 108 10.806 1.876 10.012 865 HA VAL 108 HA VAL 108 9.899 0.026 11.876 866 HB VAL 108 HB VAL 108 12.277 0.563 11.543 867 1HG1 VAL 108 1HG1 VAL 108 11.539 3.170 11.756 868 2HG1 VAL 108 2HG1 VAL 108 13.197 2.583 11.885 869 3HG1 VAL 108 3HG1 VAL 108 12.252 2.880 13.343 870 1HG2 VAL 108 1HG2 VAL 108 11.563 -0.598 13.573 871 2HG2 VAL 108 2HG2 VAL 108 11.347 0.951 14.388 872 3HG2 VAL 108 3HG2 VAL 108 12.957 0.436 13.884 873 H GLY 109 HN GLY 109 9.153 3.365 11.629 874 1HA GLY 109 HA2 GLY 109 7.915 3.255 14.304 875 2HA GLY 109 HA1 GLY 109 8.735 4.698 13.727 876 H LEU 110 HN LEU 110 6.494 2.502 12.056 877 HA LEU 110 HA LEU 110 5.072 4.586 10.805 878 1HB LEU 110 HB2 LEU 110 5.134 2.224 10.025 879 2HB LEU 110 HB1 LEU 110 4.107 1.783 11.376 880 HG LEU 110 HG LEU 110 3.094 3.926 9.600 881 1HD1 LEU 110 1HD1 LEU 110 2.165 2.103 8.086 882 2HD1 LEU 110 2HD1 LEU 110 3.439 1.072 8.737 883 3HD1 LEU 110 3HD1 LEU 110 3.855 2.547 7.866 884 1HD2 LEU 110 1HD2 LEU 110 1.879 3.060 11.582 885 2HD2 LEU 110 2HD2 LEU 110 1.786 1.487 10.791 886 3HD2 LEU 110 3HD2 LEU 110 0.984 2.885 10.073 887 H ASN 111 HN ASN 111 2.951 5.402 11.209 888 HA ASN 111 HA ASN 111 2.111 5.095 14.004 889 1HB ASN 111 HB2 ASN 111 2.829 7.440 12.538 890 2HB ASN 111 HB1 ASN 111 1.138 7.548 13.011 891 1HD2 ASN 111 1HD2 ASN 111 1.820 9.312 14.354 892 2HD2 ASN 111 2HD2 ASN 111 2.514 8.995 15.904 893 H ALA 112 HN ALA 112 0.163 4.423 14.412 894 HA ALA 112 HA ALA 112 -1.648 3.772 12.311 895 1HB ALA 112 HB1 ALA 112 -1.319 2.560 14.556 896 2HB ALA 112 HB2 ALA 112 -2.962 2.726 13.932 897 3HB ALA 112 HB3 ALA 112 -2.392 3.793 15.217 898 H ASP 113 HN ASP 113 -1.050 6.587 14.125 899 HA ASP 113 HA ASP 113 -3.717 7.640 14.121 900 1HB ASP 113 HB2 ASP 113 -1.529 8.224 15.577 901 2HB ASP 113 HB1 ASP 113 -1.412 9.489 14.358 902 H ASP 114 HN ASP 114 -0.765 8.339 12.235 903 HA ASP 114 HA ASP 114 -1.993 10.280 10.583 904 1HB ASP 114 HB2 ASP 114 0.115 9.068 9.121 905 2HB ASP 114 HB1 ASP 114 0.116 10.614 9.946 906 H PHE 115 HN PHE 115 -1.645 6.806 10.352 907 HA PHE 115 HA PHE 115 -2.773 6.730 7.685 908 1HB PHE 115 HB2 PHE 115 -1.826 4.688 7.578 909 2HB PHE 115 HB1 PHE 115 -1.077 5.066 9.130 910 HD1 PHE 115 HD1 PHE 115 -2.711 2.580 7.465 911 HD2 PHE 115 HD2 PHE 115 -2.909 4.722 11.116 912 HE1 PHE 115 HE1 PHE 115 -3.875 0.684 8.512 913 HE2 PHE 115 HE2 PHE 115 -4.071 2.839 12.181 914 HZ PHE 115 HZ PHE 115 -4.557 0.818 10.873 915 HA PRO 116 HA PRO 116 -7.010 6.077 8.731 916 1HB PRO 116 HB2 PRO 116 -7.756 3.857 7.338 917 2HB PRO 116 HB1 PRO 116 -7.477 5.429 6.580 918 1HG PRO 116 HG2 PRO 116 -5.655 3.059 6.756 919 2HG PRO 116 HG1 PRO 116 -5.977 4.123 5.373 920 1HD PRO 116 HD2 PRO 116 -3.763 4.376 6.897 921 2HD PRO 116 HD1 PRO 116 -4.565 5.775 6.156 922 HA PRO 117 HA PRO 117 -6.755 3.270 12.230 923 1HB PRO 117 HB2 PRO 117 -9.277 3.733 13.180 924 2HB PRO 117 HB1 PRO 117 -7.903 4.805 13.474 925 1HG PRO 117 HG2 PRO 117 -10.085 5.037 11.438 926 2HG PRO 117 HG1 PRO 117 -9.369 6.297 12.461 927 1HD PRO 117 HD2 PRO 117 -8.682 6.007 9.876 928 2HD PRO 117 HD1 PRO 117 -7.506 6.514 11.105 929 H ALA 118 HN ALA 118 -9.079 3.144 9.665 930 HA ALA 118 HA ALA 118 -10.422 0.783 10.511 931 1HB ALA 118 HB1 ALA 118 -10.353 2.393 8.015 932 2HB ALA 118 HB2 ALA 118 -11.719 1.970 9.047 933 3HB ALA 118 HB3 ALA 118 -11.028 0.765 7.961 934 H ASN 119 HN ASN 119 -7.333 1.259 9.334 935 HA ASN 119 HA ASN 119 -7.204 -1.494 8.295 936 1HB ASN 119 HB2 ASN 119 -6.044 1.063 7.425 937 2HB ASN 119 HB1 ASN 119 -4.929 -0.300 7.381 938 1HD2 ASN 119 1HD2 ASN 119 -8.369 0.195 6.660 939 2HD2 ASN 119 2HD2 ASN 119 -8.323 -0.528 5.093 940 H GLU 120 HN GLU 120 -6.987 -0.632 11.116 941 HA GLU 120 HA GLU 120 -4.265 -0.699 11.886 942 1HB GLU 120 HB2 GLU 120 -5.057 -0.165 13.900 943 2HB GLU 120 HB1 GLU 120 -6.588 0.035 13.086 944 1HG GLU 120 HG2 GLU 120 -7.229 -2.234 13.715 945 2HG GLU 120 HG1 GLU 120 -5.673 -2.454 14.516 946 HA PRO 121 HA PRO 121 -5.552 -5.384 12.912 947 1HB PRO 121 HB2 PRO 121 -6.574 -5.875 10.158 948 2HB PRO 121 HB1 PRO 121 -7.100 -6.572 11.694 949 1HG PRO 121 HG2 PRO 121 -8.562 -4.706 10.485 950 2HG PRO 121 HG1 PRO 121 -8.383 -4.720 12.250 951 1HD PRO 121 HD2 PRO 121 -7.080 -2.954 10.223 952 2HD PRO 121 HD1 PRO 121 -7.654 -2.564 11.856 953 H VAL 122 HN VAL 122 -4.606 -4.160 9.731 954 HA VAL 122 HA VAL 122 -2.694 -6.249 9.268 955 HB VAL 122 HB VAL 122 -2.896 -3.591 7.845 956 1HG1 VAL 122 1HG1 VAL 122 -1.424 -6.128 7.373 957 2HG1 VAL 122 2HG1 VAL 122 -0.930 -4.459 7.085 958 3HG1 VAL 122 3HG1 VAL 122 -2.044 -5.254 5.972 959 1HG2 VAL 122 1HG2 VAL 122 -4.907 -5.456 7.985 960 2HG2 VAL 122 2HG2 VAL 122 -4.057 -5.911 6.509 961 3HG2 VAL 122 3HG2 VAL 122 -4.687 -4.275 6.694 962 H ILE 123 HN ILE 123 -2.536 -2.800 10.085 963 HA ILE 123 HA ILE 123 0.284 -2.695 10.299 964 HB ILE 123 HB ILE 123 -1.808 -0.897 11.526 965 1HG1 ILE 123 2HG1 ILE 123 -1.490 -1.223 8.924 966 2HG1 ILE 123 1HG1 ILE 123 -1.735 0.377 9.611 967 1HG2 ILE 123 1HG2 ILE 123 0.109 0.750 11.590 968 2HG2 ILE 123 2HG2 ILE 123 1.179 -0.624 11.313 969 3HG2 ILE 123 3HG2 ILE 123 0.178 -0.563 12.765 970 1HD1 ILE 123 1HD1 ILE 123 0.204 -0.191 7.874 971 2HD1 ILE 123 2HD1 ILE 123 1.058 -0.524 9.383 972 3HD1 ILE 123 3HD1 ILE 123 0.340 1.066 9.106 973 H ALA 124 HN ALA 124 -2.266 -3.571 12.521 974 HA ALA 124 HA ALA 124 -0.961 -3.294 14.957 975 1HB ALA 124 HB1 ALA 124 -3.294 -3.852 14.892 976 2HB ALA 124 HB2 ALA 124 -2.444 -5.139 15.745 977 3HB ALA 124 HB3 ALA 124 -2.956 -5.377 14.074 978 H LYS 125 HN LYS 125 -0.542 -5.619 12.415 979 HA LYS 125 HA LYS 125 0.977 -7.483 14.002 980 1HB LYS 125 HB2 LYS 125 0.197 -7.237 11.143 981 2HB LYS 125 HB1 LYS 125 1.610 -8.215 11.514 982 1HG LYS 125 HG2 LYS 125 -0.448 -9.542 11.377 983 2HG LYS 125 HG1 LYS 125 0.303 -9.625 12.972 984 1HD LYS 125 HD2 LYS 125 -1.317 -8.210 13.926 985 2HD LYS 125 HD1 LYS 125 -1.888 -7.665 12.347 986 1HE LYS 125 HE2 LYS 125 -2.074 -10.561 12.815 987 2HE LYS 125 HE1 LYS 125 -3.101 -9.570 13.849 988 1HZ LYS 125 HZ1 LYS 125 -4.250 -10.204 11.830 989 2HZ LYS 125 HZ2 LYS 125 -3.043 -9.495 10.881 990 3HZ LYS 125 HZ3 LYS 125 -4.020 -8.528 11.867 991 H LEU 126 HN LEU 126 1.790 -5.081 11.497 992 HA LEU 126 HA LEU 126 4.614 -5.517 11.778 993 1HB LEU 126 HB2 LEU 126 3.121 -4.557 9.771 994 2HB LEU 126 HB1 LEU 126 3.595 -3.040 10.506 995 HG LEU 126 HG LEU 126 5.935 -3.546 10.184 996 1HD1 LEU 126 1HD1 LEU 126 5.868 -5.830 8.517 997 2HD1 LEU 126 2HD1 LEU 126 5.006 -6.231 10.002 998 3HD1 LEU 126 3HD1 LEU 126 6.663 -5.635 10.078 999 1HD2 LEU 126 1HD2 LEU 126 6.023 -3.148 7.922 1000 2HD2 LEU 126 2HD2 LEU 126 4.351 -2.715 8.282 1001 3HD2 LEU 126 3HD2 LEU 126 4.721 -4.282 7.562 1002 H LYS 127 HN LYS 127 2.271 -3.304 13.095 1003 HA LYS 127 HA LYS 127 3.869 -1.222 13.970 1004 1HB LYS 127 HB2 LYS 127 1.376 -1.396 14.089 1005 2HB LYS 127 HB1 LYS 127 1.563 -2.403 15.510 1006 1HG LYS 127 HG2 LYS 127 2.288 -0.665 16.820 1007 2HG LYS 127 HG1 LYS 127 2.861 0.277 15.443 1008 1HD LYS 127 HD2 LYS 127 0.952 1.431 16.053 1009 2HD LYS 127 HD1 LYS 127 0.343 0.358 14.792 1010 1HE LYS 127 HE2 LYS 127 -1.224 -0.158 16.321 1011 2HE LYS 127 HE1 LYS 127 0.034 -1.205 16.979 1012 1HZ LYS 127 HZ1 LYS 127 -1.248 0.614 18.420 1013 2HZ LYS 127 HZ2 LYS 127 0.054 1.556 17.892 1014 3HZ LYS 127 HZ3 LYS 127 0.340 0.128 18.753 1015 H ARG 128 HN ARG 128 3.176 -4.321 15.513 1016 HA ARG 128 HA ARG 128 4.713 -3.760 17.857 1017 1HB ARG 128 HB2 ARG 128 2.923 -5.379 17.973 1018 2HB ARG 128 HB1 ARG 128 3.656 -6.345 16.702 1019 1HG ARG 128 HG2 ARG 128 5.476 -6.962 18.130 1020 2HG ARG 128 HG1 ARG 128 4.931 -5.842 19.380 1021 1HD ARG 128 HD2 ARG 128 3.918 -7.646 20.250 1022 2HD ARG 128 HD1 ARG 128 2.702 -7.353 19.007 1023 HE ARG 128 HE ARG 128 4.531 -8.928 17.764 1024 1HH1 ARG 128 1HH1 ARG 128 2.715 -9.213 20.730 1025 2HH1 ARG 128 2HH1 ARG 128 2.655 -10.943 20.673 1026 1HH2 ARG 128 1HH2 ARG 128 4.454 -11.202 17.688 1027 2HH2 ARG 128 2HH2 ARG 128 3.643 -12.072 18.946 1028 H LEU 129 HN LEU 129 5.570 -4.294 14.702 1029 HA LEU 129 HA LEU 129 7.451 -4.995 13.615 1030 1HB LEU 129 HB2 LEU 129 8.915 -4.135 16.091 1031 2HB LEU 129 HB1 LEU 129 9.454 -4.049 14.425 1032 HG LEU 129 HG LEU 129 7.198 -2.462 14.411 1033 1HD1 LEU 129 1HD1 LEU 129 7.178 -1.072 16.290 1034 2HD1 LEU 129 2HD1 LEU 129 8.725 -1.685 16.874 1035 3HD1 LEU 129 3HD1 LEU 129 7.287 -2.703 16.953 1036 1HD2 LEU 129 1HD2 LEU 129 9.692 -2.210 13.577 1037 2HD2 LEU 129 2HD2 LEU 129 9.824 -1.211 15.023 1038 3HD2 LEU 129 3HD2 LEU 129 8.640 -0.809 13.779 1039 1HO1 MO2 130 1HO1 MO2 130 -3.076 2.999 -6.901 1040 2HO1 MO2 130 2HO1 MO2 130 -5.734 3.652 -10.641 1041 1HO2 MO2 130 1HO2 MO2 130 -2.741 4.122 -7.857 1042 2HO2 MO2 130 2HO2 MO2 130 -5.754 4.012 -9.173 1043 1H5* 8OG 131 1H5* 8OG 131 -12.282 3.246 -3.597 1044 2H5* 8OG 131 2H5* 8OG 131 -12.082 3.721 -1.937 1045 H4* 8OG 131 1H4* 8OG 131 -10.343 1.862 -3.542 1046 H3* 8OG 131 1H3* 8OG 131 -12.627 1.313 -1.960 1047 1H2* 8OG 131 1H2* 8OG 131 -11.773 0.523 -0.049 1048 2H2* 8OG 131 2H2* 8OG 131 -10.749 -0.580 -0.940 1049 H1* 8OG 131 1H1* 8OG 131 -8.960 0.662 -0.554 1050 H1 8OG 131 H1 8OG 131 -6.257 1.504 4.684 1051 H7 8OG 131 H7 8OG 131 -10.859 3.056 3.547 1052 1H2 8OG 131 H21 8OG 131 -5.025 0.063 1.745 1053 2H2 8OG 131 H22 8OG 131 -4.715 0.457 3.403 1054 H3T 8OG 131 *HO1 8OG 131 -12.077 0.299 -3.978 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -24.490 -7.200 -4.846 2 2H MET 1 HT2 MET 1 -24.110 -7.473 -3.195 3 3H MET 1 HT3 MET 1 -25.061 -8.611 -4.059 4 HA MET 1 HA MET 1 -22.694 -9.200 -3.674 5 1HB MET 1 HB2 MET 1 -24.187 -9.169 -6.259 6 2HB MET 1 HB1 MET 1 -22.532 -9.760 -6.266 7 1HG MET 1 HG2 MET 1 -24.491 -10.821 -4.281 8 2HG MET 1 HG1 MET 1 -24.493 -11.416 -5.939 9 1HE MET 1 HE1 MET 1 -24.267 -13.600 -5.356 10 2HE MET 1 HE2 MET 1 -23.678 -13.885 -3.718 11 3HE MET 1 HE3 MET 1 -22.730 -14.429 -5.103 12 H LYS 2 HN LYS 2 -22.460 -6.392 -3.518 13 HA LYS 2 HA LYS 2 -20.684 -5.581 -5.672 14 1HB LYS 2 HB2 LYS 2 -22.423 -4.079 -4.515 15 2HB LYS 2 HB1 LYS 2 -21.277 -3.995 -3.184 16 1HG LYS 2 HG2 LYS 2 -19.771 -2.748 -4.375 17 2HG LYS 2 HG1 LYS 2 -20.328 -3.363 -5.932 18 1HD LYS 2 HD2 LYS 2 -22.321 -1.831 -4.403 19 2HD LYS 2 HD1 LYS 2 -20.924 -0.906 -4.955 20 1HE LYS 2 HE2 LYS 2 -21.449 -1.167 -7.160 21 2HE LYS 2 HE1 LYS 2 -22.228 -2.727 -6.902 22 1HZ LYS 2 HZ1 LYS 2 -23.335 -0.025 -6.455 23 2HZ LYS 2 HZ2 LYS 2 -24.015 -1.384 -5.711 24 3HZ LYS 2 HZ3 LYS 2 -23.963 -1.281 -7.399 25 H LYS 3 HN LYS 3 -18.734 -6.528 -5.556 26 HA LYS 3 HA LYS 3 -17.281 -6.337 -2.998 27 1HB LYS 3 HB2 LYS 3 -16.065 -8.362 -3.608 28 2HB LYS 3 HB1 LYS 3 -17.795 -8.669 -3.581 29 1HG LYS 3 HG2 LYS 3 -16.642 -7.895 -6.185 30 2HG LYS 3 HG1 LYS 3 -16.186 -9.479 -5.554 31 1HD LYS 3 HD2 LYS 3 -19.045 -8.858 -5.340 32 2HD LYS 3 HD1 LYS 3 -18.441 -8.964 -6.994 33 1HE LYS 3 HE2 LYS 3 -17.541 -11.094 -5.171 34 2HE LYS 3 HE1 LYS 3 -19.266 -11.088 -5.538 35 1HZ LYS 3 HZ1 LYS 3 -18.408 -12.376 -7.219 36 2HZ LYS 3 HZ2 LYS 3 -16.985 -11.471 -7.357 37 3HZ LYS 3 HZ3 LYS 3 -18.440 -10.855 -7.963 38 H LEU 4 HN LEU 4 -15.168 -5.635 -3.044 39 HA LEU 4 HA LEU 4 -13.980 -4.968 -5.630 40 1HB LEU 4 HB2 LEU 4 -13.317 -2.713 -4.602 41 2HB LEU 4 HB1 LEU 4 -14.952 -2.900 -5.205 42 HG LEU 4 HG LEU 4 -15.462 -3.539 -2.696 43 1HD1 LEU 4 1HD1 LEU 4 -12.796 -3.065 -2.445 44 2HD1 LEU 4 2HD1 LEU 4 -13.967 -2.964 -1.131 45 3HD1 LEU 4 3HD1 LEU 4 -13.478 -1.504 -1.991 46 1HD2 LEU 4 1HD2 LEU 4 -15.040 -0.645 -2.933 47 2HD2 LEU 4 2HD2 LEU 4 -16.516 -1.557 -2.619 48 3HD2 LEU 4 3HD2 LEU 4 -15.927 -1.377 -4.271 49 H GLN 5 HN GLN 5 -11.813 -5.182 -5.682 50 HA GLN 5 HA GLN 5 -10.512 -6.094 -3.230 51 1HB GLN 5 HB2 GLN 5 -9.570 -6.378 -6.077 52 2HB GLN 5 HB1 GLN 5 -8.870 -7.148 -4.658 53 1HG GLN 5 HG2 GLN 5 -11.192 -8.189 -4.341 54 2HG GLN 5 HG1 GLN 5 -11.477 -7.698 -6.002 55 1HE2 GLN 5 1HE2 GLN 5 -11.729 -9.969 -6.436 56 2HE2 GLN 5 2HE2 GLN 5 -10.334 -10.956 -6.686 57 H ILE 6 HN ILE 6 -8.456 -5.427 -2.667 58 HA ILE 6 HA ILE 6 -7.310 -3.095 -3.979 59 HB ILE 6 HB ILE 6 -7.088 -2.759 -1.119 60 1HG1 ILE 6 2HG1 ILE 6 -9.359 -3.895 -1.215 61 2HG1 ILE 6 1HG1 ILE 6 -9.335 -2.297 -0.482 62 1HG2 ILE 6 1HG2 ILE 6 -7.841 -1.186 -3.506 63 2HG2 ILE 6 2HG2 ILE 6 -6.612 -0.874 -2.281 64 3HG2 ILE 6 3HG2 ILE 6 -8.311 -0.553 -1.930 65 1HD1 ILE 6 1HD1 ILE 6 -9.852 -1.930 -3.225 66 2HD1 ILE 6 2HD1 ILE 6 -10.942 -1.682 -1.862 67 3HD1 ILE 6 3HD1 ILE 6 -10.881 -3.247 -2.669 68 H ALA 7 HN ALA 7 -5.141 -3.316 -4.140 69 HA ALA 7 HA ALA 7 -3.828 -5.210 -2.289 70 1HB ALA 7 HB1 ALA 7 -3.698 -6.463 -4.193 71 2HB ALA 7 HB2 ALA 7 -2.246 -5.485 -4.397 72 3HB ALA 7 HB3 ALA 7 -3.723 -5.055 -5.255 73 H VAL 8 HN VAL 8 -2.202 -4.327 -1.163 74 HA VAL 8 HA VAL 8 -0.957 -1.905 -2.270 75 HB VAL 8 HB VAL 8 -1.229 -0.744 -0.392 76 1HG1 VAL 8 1HG1 VAL 8 -3.014 -2.935 0.627 77 2HG1 VAL 8 2HG1 VAL 8 -3.457 -1.914 -0.741 78 3HG1 VAL 8 3HG1 VAL 8 -3.176 -1.192 0.844 79 1HG2 VAL 8 1HG2 VAL 8 -0.887 -1.706 1.898 80 2HG2 VAL 8 2HG2 VAL 8 0.500 -1.861 0.817 81 3HG2 VAL 8 3HG2 VAL 8 -0.538 -3.251 1.129 82 H GLY 9 HN GLY 9 1.187 -1.414 -1.472 83 1HA GLY 9 HA2 GLY 9 2.755 -3.657 -0.484 84 2HA GLY 9 HA1 GLY 9 3.140 -3.088 -2.098 85 H ILE 10 HN ILE 10 3.860 -2.748 1.124 86 HA ILE 10 HA ILE 10 4.447 0.046 1.216 87 HB ILE 10 HB ILE 10 6.067 -1.654 2.991 88 1HG1 ILE 10 2HG1 ILE 10 3.046 -1.799 3.063 89 2HG1 ILE 10 1HG1 ILE 10 4.177 -3.141 2.933 90 1HG2 ILE 10 1HG2 ILE 10 5.582 0.867 3.073 91 2HG2 ILE 10 2HG2 ILE 10 5.534 -0.040 4.584 92 3HG2 ILE 10 3HG2 ILE 10 4.035 0.400 3.773 93 1HD1 ILE 10 1HD1 ILE 10 4.968 -2.021 5.267 94 2HD1 ILE 10 2HD1 ILE 10 3.816 -3.348 5.125 95 3HD1 ILE 10 3HD1 ILE 10 3.236 -1.691 5.291 96 H ILE 11 HN ILE 11 5.796 0.796 -0.329 97 HA ILE 11 HA ILE 11 8.007 -0.681 -1.334 98 HB ILE 11 HB ILE 11 7.921 2.278 -1.652 99 1HG1 ILE 11 2HG1 ILE 11 5.916 0.324 -2.768 100 2HG1 ILE 11 1HG1 ILE 11 5.618 1.875 -1.989 101 1HG2 ILE 11 1HG2 ILE 11 9.441 0.276 -2.721 102 2HG2 ILE 11 2HG2 ILE 11 9.217 1.873 -3.433 103 3HG2 ILE 11 3HG2 ILE 11 8.222 0.521 -3.972 104 1HD1 ILE 11 1HD1 ILE 11 5.211 1.959 -4.393 105 2HD1 ILE 11 2HD1 ILE 11 6.885 1.491 -4.687 106 3HD1 ILE 11 3HD1 ILE 11 6.525 3.035 -3.915 107 H ARG 12 HN ARG 12 9.884 -0.985 -0.456 108 HA ARG 12 HA ARG 12 10.864 0.806 1.646 109 1HB ARG 12 HB2 ARG 12 11.072 -2.069 1.094 110 2HB ARG 12 HB1 ARG 12 12.588 -1.331 1.592 111 1HG ARG 12 HG2 ARG 12 10.576 -0.361 3.306 112 2HG ARG 12 HG1 ARG 12 10.370 -2.105 3.180 113 1HD ARG 12 HD2 ARG 12 13.075 -1.876 3.448 114 2HD ARG 12 HD1 ARG 12 12.499 -0.543 4.449 115 HE ARG 12 HE ARG 12 10.969 -2.614 5.261 116 1HH1 ARG 12 1HH1 ARG 12 14.416 -2.217 4.885 117 2HH1 ARG 12 2HH1 ARG 12 14.808 -3.325 6.157 118 1HH2 ARG 12 1HH2 ARG 12 11.483 -4.070 6.935 119 2HH2 ARG 12 2HH2 ARG 12 13.144 -4.377 7.321 120 H ASN 13 HN ASN 13 13.033 1.569 1.641 121 HA ASN 13 HA ASN 13 14.312 1.454 -1.021 122 1HB ASN 13 HB2 ASN 13 15.201 3.758 -0.557 123 2HB ASN 13 HB1 ASN 13 13.472 3.653 -0.820 124 1HD2 ASN 13 1HD2 ASN 13 15.894 4.797 1.154 125 2HD2 ASN 13 2HD2 ASN 13 14.940 5.245 2.521 126 H GLU 14 HN GLU 14 16.607 2.646 -0.687 127 HA GLU 14 HA GLU 14 18.329 0.738 0.288 128 1HB GLU 14 HB2 GLU 14 18.967 2.351 -1.384 129 2HB GLU 14 HB1 GLU 14 18.758 3.670 -0.234 130 1HG GLU 14 HG2 GLU 14 20.675 1.568 0.545 131 2HG GLU 14 HG1 GLU 14 21.131 2.553 -0.843 132 H ASN 15 HN ASN 15 16.893 3.344 2.014 133 HA ASN 15 HA ASN 15 18.763 3.018 4.238 134 1HB ASN 15 HB2 ASN 15 18.224 5.310 3.449 135 2HB ASN 15 HB1 ASN 15 16.544 5.045 3.906 136 1HD2 ASN 15 1HD2 ASN 15 19.649 4.334 5.470 137 2HD2 ASN 15 2HD2 ASN 15 19.288 5.158 6.946 138 H ASN 16 HN ASN 16 16.830 0.961 3.586 139 HA ASN 16 HA ASN 16 15.221 -0.358 4.529 140 1HB ASN 16 HB2 ASN 16 15.535 -0.873 6.839 141 2HB ASN 16 HB1 ASN 16 17.125 -0.493 6.188 142 1HD2 ASN 16 1HD2 ASN 16 18.316 0.711 7.458 143 2HD2 ASN 16 2HD2 ASN 16 17.745 1.887 8.587 144 H GLU 17 HN GLU 17 14.603 2.505 3.986 145 HA GLU 17 HA GLU 17 12.441 2.981 5.902 146 1HB GLU 17 HB2 GLU 17 13.578 4.777 3.753 147 2HB GLU 17 HB1 GLU 17 12.315 5.224 4.883 148 1HG GLU 17 HG2 GLU 17 14.125 4.559 6.665 149 2HG GLU 17 HG1 GLU 17 15.230 4.883 5.332 150 H ILE 18 HN ILE 18 10.330 3.634 4.964 151 HA ILE 18 HA ILE 18 9.897 2.305 2.381 152 HB ILE 18 HB ILE 18 9.021 1.412 4.818 153 1HG1 ILE 18 2HG1 ILE 18 7.399 0.659 2.452 154 2HG1 ILE 18 1HG1 ILE 18 9.140 0.441 2.345 155 1HG2 ILE 18 1HG2 ILE 18 6.593 1.609 4.834 156 2HG2 ILE 18 2HG2 ILE 18 6.665 2.684 3.438 157 3HG2 ILE 18 3HG2 ILE 18 7.357 3.190 4.980 158 1HD1 ILE 18 1HD1 ILE 18 8.200 -1.600 3.091 159 2HD1 ILE 18 2HD1 ILE 18 7.280 -0.781 4.352 160 3HD1 ILE 18 3HD1 ILE 18 9.036 -0.865 4.459 161 H PHE 19 HN PHE 19 9.178 3.618 0.876 162 HA PHE 19 HA PHE 19 8.294 6.256 1.377 163 1HB PHE 19 HB2 PHE 19 9.363 5.896 -0.691 164 2HB PHE 19 HB1 PHE 19 8.381 4.485 -1.056 165 HD1 PHE 19 HD1 PHE 19 6.113 4.742 -1.922 166 HD2 PHE 19 HD2 PHE 19 8.594 8.116 -1.166 167 HE1 PHE 19 HE1 PHE 19 4.623 6.140 -3.294 168 HE2 PHE 19 HE2 PHE 19 7.108 9.518 -2.537 169 HZ PHE 19 HZ PHE 19 5.120 8.531 -3.601 170 H ILE 20 HN ILE 20 6.451 6.468 2.558 171 HA ILE 20 HA ILE 20 4.062 5.026 1.625 172 HB ILE 20 HB ILE 20 3.477 6.306 4.074 173 1HG1 ILE 20 2HG1 ILE 20 6.012 4.671 4.277 174 2HG1 ILE 20 1HG1 ILE 20 5.942 6.423 4.429 175 1HG2 ILE 20 1HG2 ILE 20 2.848 4.183 4.772 176 2HG2 ILE 20 2HG2 ILE 20 4.094 3.392 3.805 177 3HG2 ILE 20 3HG2 ILE 20 2.688 4.111 3.017 178 1HD1 ILE 20 1HD1 ILE 20 5.837 4.692 6.499 179 2HD1 ILE 20 2HD1 ILE 20 4.120 4.966 6.200 180 3HD1 ILE 20 3HD1 ILE 20 5.187 6.330 6.531 181 H THR 21 HN THR 21 2.576 6.154 0.577 182 HA THR 21 HA THR 21 2.823 8.962 0.189 183 HB THR 21 HB THR 21 0.902 8.768 -1.229 184 HG1 THR 21 HG1 THR 21 -0.527 7.143 -1.096 185 1HG2 THR 21 1HG2 THR 21 2.461 7.808 -2.546 186 2HG2 THR 21 2HG2 THR 21 1.408 6.408 -2.337 187 3HG2 THR 21 3HG2 THR 21 2.866 6.569 -1.357 188 H ARG 22 HN ARG 22 2.319 10.417 1.701 189 HA ARG 22 HA ARG 22 0.150 9.830 3.578 190 1HB ARG 22 HB2 ARG 22 2.450 10.634 4.341 191 2HB ARG 22 HB1 ARG 22 2.025 12.194 3.648 192 1HG ARG 22 HG2 ARG 22 0.006 11.106 5.463 193 2HG ARG 22 HG1 ARG 22 1.564 11.435 6.221 194 1HD ARG 22 HD2 ARG 22 1.305 13.690 4.824 195 2HD ARG 22 HD1 ARG 22 -0.402 13.301 5.020 196 HE ARG 22 HE ARG 22 -0.221 14.006 7.171 197 1HH1 ARG 22 1HH1 ARG 22 2.938 12.962 6.116 198 2HH1 ARG 22 2HH1 ARG 22 3.715 13.395 7.601 199 1HH2 ARG 22 1HH2 ARG 22 0.798 14.577 9.125 200 2HH2 ARG 22 2HH2 ARG 22 2.500 14.312 9.310 201 H ARG 23 HN ARG 23 -1.281 11.744 4.140 202 HA ARG 23 HA ARG 23 -2.510 12.680 1.742 203 1HB ARG 23 HB2 ARG 23 -2.997 13.073 4.664 204 2HB ARG 23 HB1 ARG 23 -3.799 14.135 3.517 205 1HG ARG 23 HG2 ARG 23 -4.089 11.425 2.657 206 2HG ARG 23 HG1 ARG 23 -4.584 11.565 4.344 207 1HD ARG 23 HD2 ARG 23 -5.828 13.708 3.435 208 2HD ARG 23 HD1 ARG 23 -5.731 12.835 1.906 209 HE ARG 23 HE ARG 23 -7.391 12.201 4.167 210 1HH1 ARG 23 1HH1 ARG 23 -5.840 10.934 1.310 211 2HH1 ARG 23 2HH1 ARG 23 -6.948 9.614 1.141 212 1HH2 ARG 23 1HH2 ARG 23 -8.851 10.468 3.946 213 2HH2 ARG 23 2HH2 ARG 23 -8.660 9.350 2.637 214 H ALA 24 HN ALA 24 -0.121 13.567 1.312 215 HA ALA 24 HA ALA 24 1.270 15.328 0.993 216 1HB ALA 24 HB1 ALA 24 -0.040 16.337 -0.526 217 2HB ALA 24 HB2 ALA 24 -0.315 17.530 0.744 218 3HB ALA 24 HB3 ALA 24 -1.476 16.226 0.493 219 H ALA 25 HN ALA 25 1.360 17.926 1.687 220 HA ALA 25 HA ALA 25 2.221 17.889 4.346 221 1HB ALA 25 HB1 ALA 25 1.815 19.966 2.283 222 2HB ALA 25 HB2 ALA 25 3.234 19.599 3.265 223 3HB ALA 25 HB3 ALA 25 1.897 20.519 3.955 224 H ASP 26 HN ASP 26 -0.828 18.970 2.920 225 HA ASP 26 HA ASP 26 -2.342 18.446 5.218 226 1HB ASP 26 HB2 ASP 26 -2.884 20.740 5.945 227 2HB ASP 26 HB1 ASP 26 -1.182 20.361 6.191 228 H ALA 27 HN ALA 27 -4.578 18.886 4.934 229 HA ALA 27 HA ALA 27 -5.630 20.358 2.769 230 1HB ALA 27 HB1 ALA 27 -6.187 17.548 2.142 231 2HB ALA 27 HB2 ALA 27 -4.518 18.046 1.866 232 3HB ALA 27 HB3 ALA 27 -5.838 18.905 1.072 233 H HIS 28 HN HIS 28 -6.514 17.158 4.067 234 HA HIS 28 HA HIS 28 -8.721 18.393 5.539 235 1HB HIS 28 HB2 HIS 28 -9.019 16.175 3.508 236 2HB HIS 28 HB1 HIS 28 -10.256 16.581 4.694 237 HD1 HIS 28 HD1 HIS 28 -8.846 17.633 1.445 238 HD2 HIS 28 HD2 HIS 28 -11.503 19.118 4.274 239 HE1 HIS 28 HE1 HIS 28 -10.069 19.508 0.300 240 HE2 HIS 28 HE2 HIS 28 -11.606 20.451 2.060 241 H MET 29 HN MET 29 -7.961 15.017 4.734 242 HA MET 29 HA MET 29 -7.762 14.466 7.612 243 1HB MET 29 HB2 MET 29 -9.039 13.113 5.436 244 2HB MET 29 HB1 MET 29 -7.811 12.052 6.113 245 1HG MET 29 HG2 MET 29 -8.964 12.914 8.376 246 2HG MET 29 HG1 MET 29 -10.338 13.019 7.277 247 1HE MET 29 HE1 MET 29 -8.908 11.207 9.825 248 2HE MET 29 HE2 MET 29 -7.674 10.368 8.885 249 3HE MET 29 HE3 MET 29 -9.059 9.478 9.519 250 H ALA 30 HN ALA 30 -5.596 15.172 7.809 251 HA ALA 30 HA ALA 30 -3.490 14.114 6.215 252 1HB ALA 30 HB1 ALA 30 -2.992 16.166 7.175 253 2HB ALA 30 HB2 ALA 30 -2.074 15.033 8.166 254 3HB ALA 30 HB3 ALA 30 -3.600 15.685 8.759 255 H ASN 31 HN ASN 31 -5.345 12.699 8.633 256 HA ASN 31 HA ASN 31 -3.202 10.987 9.616 257 1HB ASN 31 HB2 ASN 31 -5.816 11.854 10.573 258 2HB ASN 31 HB1 ASN 31 -5.574 10.122 10.758 259 1HD2 ASN 31 1HD2 ASN 31 -5.668 10.604 13.043 260 2HD2 ASN 31 2HD2 ASN 31 -4.240 11.143 13.854 261 H LYS 32 HN LYS 32 -4.186 10.813 6.824 262 HA LYS 32 HA LYS 32 -5.221 8.065 6.882 263 1HB LYS 32 HB2 LYS 32 -6.175 10.331 5.486 264 2HB LYS 32 HB1 LYS 32 -5.506 9.234 4.286 265 1HG LYS 32 HG2 LYS 32 -7.198 7.940 6.295 266 2HG LYS 32 HG1 LYS 32 -8.033 9.114 5.276 267 1HD LYS 32 HD2 LYS 32 -7.383 7.964 3.289 268 2HD LYS 32 HD1 LYS 32 -6.286 6.913 4.187 269 1HE LYS 32 HE2 LYS 32 -8.553 6.359 5.483 270 2HE LYS 32 HE1 LYS 32 -9.235 6.808 3.920 271 1HZ LYS 32 HZ1 LYS 32 -8.579 4.369 4.355 272 2HZ LYS 32 HZ2 LYS 32 -6.999 4.895 4.061 273 3HZ LYS 32 HZ3 LYS 32 -8.183 5.067 2.865 274 H LEU 33 HN LEU 33 -2.442 8.956 7.037 275 HA LEU 33 HA LEU 33 -0.956 8.746 4.750 276 1HB LEU 33 HB2 LEU 33 -0.283 9.030 7.251 277 2HB LEU 33 HB1 LEU 33 -0.119 7.291 7.226 278 HG LEU 33 HG LEU 33 1.576 9.374 5.960 279 1HD1 LEU 33 1HD1 LEU 33 2.591 6.731 6.785 280 2HD1 LEU 33 2HD1 LEU 33 1.923 7.752 8.058 281 3HD1 LEU 33 3HD1 LEU 33 3.252 8.343 7.059 282 1HD2 LEU 33 1HD2 LEU 33 1.447 6.581 4.838 283 2HD2 LEU 33 2HD2 LEU 33 2.459 7.918 4.292 284 3HD2 LEU 33 3HD2 LEU 33 0.714 7.984 4.063 285 H GLU 34 HN GLU 34 -1.081 7.273 3.151 286 HA GLU 34 HA GLU 34 -1.198 4.436 3.904 287 1HB GLU 34 HB2 GLU 34 -3.362 5.741 2.865 288 2HB GLU 34 HB1 GLU 34 -2.608 5.104 1.410 289 1HG GLU 34 HG2 GLU 34 -4.202 3.514 2.130 290 2HG GLU 34 HG1 GLU 34 -2.613 2.851 2.500 291 H PHE 35 HN PHE 35 -0.876 3.064 1.787 292 HA PHE 35 HA PHE 35 1.425 4.206 0.351 293 1HB PHE 35 HB2 PHE 35 1.758 1.450 0.239 294 2HB PHE 35 HB1 PHE 35 2.637 2.566 1.275 295 HD1 PHE 35 HD1 PHE 35 2.809 1.908 3.451 296 HD2 PHE 35 HD2 PHE 35 -0.717 0.908 1.296 297 HE1 PHE 35 HE1 PHE 35 1.919 0.779 5.446 298 HE2 PHE 35 HE2 PHE 35 -1.615 -0.226 3.286 299 HZ PHE 35 HZ PHE 35 -0.297 -0.290 5.364 300 HA PRO 36 HA PRO 36 -0.110 3.364 -3.697 301 1HB PRO 36 HB2 PRO 36 1.796 1.473 -4.559 302 2HB PRO 36 HB1 PRO 36 1.875 3.219 -4.783 303 1HG PRO 36 HG2 PRO 36 3.170 1.510 -2.724 304 2HG PRO 36 HG1 PRO 36 3.760 2.997 -3.488 305 1HD PRO 36 HD2 PRO 36 2.843 3.002 -0.978 306 2HD PRO 36 HD1 PRO 36 2.516 4.362 -2.075 307 H GLY 37 HN GLY 37 -0.914 1.584 -5.138 308 1HA GLY 37 HA2 GLY 37 -1.528 -0.717 -5.409 309 2HA GLY 37 HA1 GLY 37 -1.360 -0.915 -3.692 310 H GLY 38 HN GLY 38 -3.203 1.099 -5.853 311 1HA GLY 38 HA2 GLY 38 -5.673 0.297 -4.474 312 2HA GLY 38 HA1 GLY 38 -5.351 1.992 -4.825 313 H LYS 39 HN LYS 39 -7.263 -0.354 -5.804 314 HA LYS 39 HA LYS 39 -8.662 -0.309 -7.641 315 1HB LYS 39 HB2 LYS 39 -7.763 1.888 -8.359 316 2HB LYS 39 HB1 LYS 39 -6.441 1.055 -9.164 317 1HG LYS 39 HG2 LYS 39 -7.673 0.629 -10.948 318 2HG LYS 39 HG1 LYS 39 -8.990 -0.020 -9.971 319 1HD LYS 39 HD2 LYS 39 -8.480 2.916 -10.457 320 2HD LYS 39 HD1 LYS 39 -9.663 1.940 -11.328 321 1HE LYS 39 HE2 LYS 39 -11.064 2.717 -9.739 322 2HE LYS 39 HE1 LYS 39 -10.385 1.390 -8.798 323 1HZ LYS 39 HZ1 LYS 39 -8.892 3.870 -8.688 324 2HZ LYS 39 HZ2 LYS 39 -9.297 2.794 -7.448 325 3HZ LYS 39 HZ3 LYS 39 -10.430 3.931 -7.982 326 H ILE 40 HN ILE 40 -6.002 -1.984 -6.992 327 HA ILE 40 HA ILE 40 -5.231 -3.276 -9.316 328 HB ILE 40 HB ILE 40 -4.299 -4.971 -8.050 329 1HG1 ILE 40 2HG1 ILE 40 -5.699 -4.669 -5.504 330 2HG1 ILE 40 1HG1 ILE 40 -6.783 -5.141 -6.802 331 1HG2 ILE 40 1HG2 ILE 40 -4.414 -3.113 -5.771 332 2HG2 ILE 40 2HG2 ILE 40 -3.889 -2.434 -7.307 333 3HG2 ILE 40 3HG2 ILE 40 -3.025 -3.802 -6.607 334 1HD1 ILE 40 1HD1 ILE 40 -5.884 -7.189 -6.996 335 2HD1 ILE 40 2HD1 ILE 40 -5.420 -6.885 -5.323 336 3HD1 ILE 40 3HD1 ILE 40 -4.253 -6.633 -6.623 337 H GLU 41 HN GLU 41 -8.083 -3.516 -7.474 338 HA GLU 41 HA GLU 41 -9.184 -5.923 -8.066 339 1HB GLU 41 HB2 GLU 41 -11.409 -4.561 -8.150 340 2HB GLU 41 HB1 GLU 41 -10.471 -4.625 -6.669 341 1HG GLU 41 HG2 GLU 41 -10.364 -2.424 -6.623 342 2HG GLU 41 HG1 GLU 41 -9.539 -2.406 -8.172 343 H MET 42 HN MET 42 -10.159 -3.067 -9.936 344 HA MET 42 HA MET 42 -11.210 -3.078 -12.024 345 1HB MET 42 HB2 MET 42 -8.307 -3.775 -12.449 346 2HB MET 42 HB1 MET 42 -9.380 -3.296 -13.757 347 1HG MET 42 HG2 MET 42 -9.678 -1.364 -11.745 348 2HG MET 42 HG1 MET 42 -7.950 -1.672 -11.888 349 1HE MET 42 HE1 MET 42 -10.925 -1.060 -14.977 350 2HE MET 42 HE2 MET 42 -10.749 0.604 -14.420 351 3HE MET 42 HE3 MET 42 -11.144 -0.673 -13.269 352 H GLY 43 HN GLY 43 -8.888 -5.605 -12.852 353 1HA GLY 43 HA2 GLY 43 -10.840 -7.706 -12.902 354 2HA GLY 43 HA1 GLY 43 -10.505 -7.061 -14.494 355 H GLU 44 HN GLU 44 -8.061 -7.159 -12.056 356 HA GLU 44 HA GLU 44 -6.556 -9.050 -13.710 357 1HB GLU 44 HB2 GLU 44 -5.837 -6.920 -11.770 358 2HB GLU 44 HB1 GLU 44 -4.750 -8.296 -11.886 359 1HG GLU 44 HG2 GLU 44 -4.102 -6.408 -13.330 360 2HG GLU 44 HG1 GLU 44 -4.400 -7.900 -14.223 361 H THR 45 HN THR 45 -4.840 -10.255 -12.072 362 HA THR 45 HA THR 45 -6.586 -11.887 -10.370 363 HB THR 45 HB THR 45 -3.967 -13.016 -10.690 364 HG1 THR 45 HG1 THR 45 -3.542 -12.698 -12.707 365 1HG2 THR 45 1HG2 THR 45 -5.303 -14.773 -10.608 366 2HG2 THR 45 2HG2 THR 45 -5.692 -14.458 -12.300 367 3HG2 THR 45 3HG2 THR 45 -6.718 -13.806 -11.021 368 HA PRO 46 HA PRO 46 -4.841 -10.760 -6.494 369 1HB PRO 46 HB2 PRO 46 -3.754 -13.209 -5.650 370 2HB PRO 46 HB1 PRO 46 -5.393 -12.632 -5.346 371 1HG PRO 46 HG2 PRO 46 -4.406 -14.488 -7.456 372 2HG PRO 46 HG1 PRO 46 -5.926 -14.527 -6.544 373 1HD PRO 46 HD2 PRO 46 -5.881 -13.681 -9.062 374 2HD PRO 46 HD1 PRO 46 -6.895 -12.862 -7.860 375 H GLU 47 HN GLU 47 -2.855 -12.496 -8.788 376 HA GLU 47 HA GLU 47 -0.411 -11.559 -7.481 377 1HB GLU 47 HB2 GLU 47 -1.116 -13.827 -9.149 378 2HB GLU 47 HB1 GLU 47 0.322 -13.008 -9.741 379 1HG GLU 47 HG2 GLU 47 1.566 -13.589 -7.941 380 2HG GLU 47 HG1 GLU 47 0.191 -13.558 -6.839 381 H GLN 48 HN GLN 48 -2.015 -11.417 -10.673 382 HA GLN 48 HA GLN 48 -0.008 -9.635 -11.717 383 1HB GLN 48 HB2 GLN 48 -2.645 -10.622 -12.798 384 2HB GLN 48 HB1 GLN 48 -1.624 -9.485 -13.668 385 1HG GLN 48 HG2 GLN 48 -0.933 -12.301 -12.872 386 2HG GLN 48 HG1 GLN 48 -1.230 -11.694 -14.500 387 1HE2 GLN 48 1HE2 GLN 48 0.204 -9.442 -14.636 388 2HE2 GLN 48 2HE2 GLN 48 1.887 -9.762 -14.415 389 H ALA 49 HN ALA 49 -3.016 -9.289 -10.057 390 HA ALA 49 HA ALA 49 -3.850 -6.783 -10.931 391 1HB ALA 49 HB1 ALA 49 -5.061 -6.609 -8.834 392 2HB ALA 49 HB2 ALA 49 -4.089 -7.910 -8.145 393 3HB ALA 49 HB3 ALA 49 -5.189 -8.244 -9.483 394 H VAL 50 HN VAL 50 -1.626 -7.609 -8.286 395 HA VAL 50 HA VAL 50 -1.079 -4.843 -7.718 396 HB VAL 50 HB VAL 50 0.109 -5.532 -5.899 397 1HG1 VAL 50 1HG1 VAL 50 -1.048 -8.247 -6.176 398 2HG1 VAL 50 2HG1 VAL 50 -2.155 -6.875 -6.218 399 3HG1 VAL 50 3HG1 VAL 50 -1.106 -7.121 -4.821 400 1HG2 VAL 50 1HG2 VAL 50 1.009 -7.976 -7.424 401 2HG2 VAL 50 2HG2 VAL 50 1.479 -7.579 -5.770 402 3HG2 VAL 50 3HG2 VAL 50 1.962 -6.527 -7.103 403 H VAL 51 HN VAL 51 0.674 -7.514 -9.256 404 HA VAL 51 HA VAL 51 3.062 -6.168 -9.778 405 HB VAL 51 HB VAL 51 1.807 -8.342 -11.459 406 1HG1 VAL 51 1HG1 VAL 51 4.487 -8.752 -11.537 407 2HG1 VAL 51 2HG1 VAL 51 4.414 -6.990 -11.488 408 3HG1 VAL 51 3HG1 VAL 51 3.575 -7.873 -12.764 409 1HG2 VAL 51 1HG2 VAL 51 3.887 -8.988 -9.468 410 2HG2 VAL 51 2HG2 VAL 51 2.466 -9.906 -9.965 411 3HG2 VAL 51 3HG2 VAL 51 2.299 -8.569 -8.826 412 H ARG 52 HN ARG 52 0.040 -6.275 -11.579 413 HA ARG 52 HA ARG 52 1.138 -4.853 -13.812 414 1HB ARG 52 HB2 ARG 52 -0.886 -6.478 -13.790 415 2HB ARG 52 HB1 ARG 52 -1.804 -5.080 -13.242 416 1HG ARG 52 HG2 ARG 52 -0.129 -4.973 -15.724 417 2HG ARG 52 HG1 ARG 52 -1.777 -5.605 -15.742 418 1HD ARG 52 HD2 ARG 52 -0.881 -2.842 -14.939 419 2HD ARG 52 HD1 ARG 52 -1.847 -3.286 -16.346 420 HE ARG 52 HE ARG 52 -2.768 -2.948 -13.639 421 1HH1 ARG 52 1HH1 ARG 52 -3.424 -4.426 -16.733 422 2HH1 ARG 52 2HH1 ARG 52 -5.127 -4.557 -16.448 423 1HH2 ARG 52 1HH2 ARG 52 -5.006 -3.123 -13.263 424 2HH2 ARG 52 2HH2 ARG 52 -6.025 -3.817 -14.479 425 H GLU 53 HN GLU 53 -1.029 -4.038 -11.121 426 HA GLU 53 HA GLU 53 -1.275 -1.307 -11.875 427 1HB GLU 53 HB2 GLU 53 -2.017 -2.927 -9.490 428 2HB GLU 53 HB1 GLU 53 -1.930 -1.181 -9.300 429 1HG GLU 53 HG2 GLU 53 -3.357 -1.510 -11.638 430 2HG GLU 53 HG1 GLU 53 -3.938 -2.812 -10.603 431 H LEU 54 HN LEU 54 1.158 -3.109 -10.233 432 HA LEU 54 HA LEU 54 2.311 -1.245 -8.544 433 1HB LEU 54 HB2 LEU 54 3.021 -3.732 -9.509 434 2HB LEU 54 HB1 LEU 54 4.275 -2.698 -10.161 435 HG LEU 54 HG LEU 54 4.363 -1.831 -7.653 436 1HD1 LEU 54 1HD1 LEU 54 2.719 -4.216 -7.534 437 2HD1 LEU 54 2HD1 LEU 54 3.033 -2.992 -6.304 438 3HD1 LEU 54 3HD1 LEU 54 4.154 -4.337 -6.518 439 1HD2 LEU 54 1HD2 LEU 54 5.939 -4.002 -7.359 440 2HD2 LEU 54 2HD2 LEU 54 6.383 -2.582 -8.309 441 3HD2 LEU 54 3HD2 LEU 54 5.714 -4.004 -9.109 442 H GLN 55 HN GLN 55 2.706 -1.671 -12.019 443 HA GLN 55 HA GLN 55 4.574 0.424 -12.394 444 1HB GLN 55 HB2 GLN 55 3.128 -1.464 -14.023 445 2HB GLN 55 HB1 GLN 55 3.038 0.135 -14.752 446 1HG GLN 55 HG2 GLN 55 5.636 0.104 -14.225 447 2HG GLN 55 HG1 GLN 55 5.372 -1.636 -14.337 448 1HE2 GLN 55 1HE2 GLN 55 6.069 -2.271 -16.248 449 2HE2 GLN 55 2HE2 GLN 55 5.708 -1.519 -17.761 450 H GLU 56 HN GLU 56 1.096 0.261 -12.222 451 HA GLU 56 HA GLU 56 0.626 2.915 -13.200 452 1HB GLU 56 HB2 GLU 56 -0.936 0.744 -12.995 453 2HB GLU 56 HB1 GLU 56 -1.405 1.562 -11.517 454 1HG GLU 56 HG2 GLU 56 -1.409 3.509 -13.544 455 2HG GLU 56 HG1 GLU 56 -2.210 2.083 -14.205 456 H GLU 57 HN GLU 57 1.077 1.437 -10.043 457 HA GLU 57 HA GLU 57 0.538 4.036 -8.789 458 1HB GLU 57 HB2 GLU 57 0.375 1.220 -7.792 459 2HB GLU 57 HB1 GLU 57 0.586 2.541 -6.652 460 1HG GLU 57 HG2 GLU 57 -1.752 1.960 -6.876 461 2HG GLU 57 HG1 GLU 57 -1.456 3.589 -7.479 462 H VAL 58 HN VAL 58 3.129 2.532 -9.974 463 HA VAL 58 HA VAL 58 4.886 3.696 -7.933 464 HB VAL 58 HB VAL 58 5.504 1.071 -9.293 465 1HG1 VAL 58 1HG1 VAL 58 7.575 1.609 -8.664 466 2HG1 VAL 58 2HG1 VAL 58 7.035 1.302 -7.014 467 3HG1 VAL 58 3HG1 VAL 58 7.013 2.944 -7.658 468 1HG2 VAL 58 1HG2 VAL 58 3.601 0.854 -7.728 469 2HG2 VAL 58 2HG2 VAL 58 4.614 1.514 -6.444 470 3HG2 VAL 58 3HG2 VAL 58 5.031 -0.027 -7.192 471 H GLY 59 HN GLY 59 4.577 2.410 -11.204 472 1HA GLY 59 HA2 GLY 59 5.354 3.185 -13.198 473 2HA GLY 59 HA1 GLY 59 5.736 4.684 -12.398 474 H ILE 60 HN ILE 60 7.586 3.827 -10.592 475 HA ILE 60 HA ILE 60 9.891 3.512 -12.273 476 HB ILE 60 HB ILE 60 9.444 4.636 -9.736 477 1HG1 ILE 60 2HG1 ILE 60 10.904 5.473 -11.543 478 2HG1 ILE 60 1HG1 ILE 60 11.718 5.449 -9.981 479 1HG2 ILE 60 1HG2 ILE 60 11.015 3.665 -8.248 480 2HG2 ILE 60 2HG2 ILE 60 11.548 2.511 -9.473 481 3HG2 ILE 60 3HG2 ILE 60 9.928 2.383 -8.787 482 1HD1 ILE 60 1HD1 ILE 60 12.440 3.043 -10.893 483 2HD1 ILE 60 2HD1 ILE 60 13.362 4.515 -11.199 484 3HD1 ILE 60 3HD1 ILE 60 12.252 3.896 -12.423 485 H THR 61 HN THR 61 11.455 1.837 -12.097 486 HA THR 61 HA THR 61 10.278 -0.766 -11.713 487 HB THR 61 HB THR 61 12.756 -1.318 -12.428 488 HG1 THR 61 HG1 THR 61 12.535 1.225 -13.585 489 1HG2 THR 61 1HG2 THR 61 10.810 -1.727 -13.853 490 2HG2 THR 61 2HG2 THR 61 12.175 -1.094 -14.773 491 3HG2 THR 61 3HG2 THR 61 10.831 -0.032 -14.344 492 HA PRO 62 HA PRO 62 12.482 -0.856 -7.753 493 1HB PRO 62 HB2 PRO 62 10.386 -1.022 -6.166 494 2HB PRO 62 HB1 PRO 62 10.621 0.448 -7.120 495 1HG PRO 62 HG2 PRO 62 8.644 -1.728 -7.481 496 2HG PRO 62 HG1 PRO 62 8.547 -0.028 -7.970 497 1HD PRO 62 HD2 PRO 62 9.423 -2.332 -9.530 498 2HD PRO 62 HD1 PRO 62 9.123 -0.674 -10.069 499 H GLN 63 HN GLN 63 13.125 -2.552 -6.417 500 HA GLN 63 HA GLN 63 12.291 -5.214 -7.167 501 1HB GLN 63 HB2 GLN 63 14.008 -4.280 -4.843 502 2HB GLN 63 HB1 GLN 63 13.799 -5.951 -5.346 503 1HG GLN 63 HG2 GLN 63 14.936 -5.550 -7.404 504 2HG GLN 63 HG1 GLN 63 14.976 -3.813 -7.102 505 1HE2 GLN 63 1HE2 GLN 63 17.127 -5.799 -7.561 506 2HE2 GLN 63 2HE2 GLN 63 18.199 -5.627 -6.216 507 H HIS 64 HN HIS 64 10.085 -4.818 -6.820 508 HA HIS 64 HA HIS 64 9.228 -4.868 -4.004 509 1HB HIS 64 HB2 HIS 64 8.622 -2.748 -4.898 510 2HB HIS 64 HB1 HIS 64 8.161 -3.450 -6.418 511 HD1 HIS 64 HD1 HIS 64 6.639 -5.353 -3.726 512 HD2 HIS 64 HD2 HIS 64 5.767 -1.850 -5.777 513 HE1 HIS 64 HE1 HIS 64 4.206 -4.918 -3.301 514 HE2 HIS 64 HE2 HIS 64 3.731 -2.730 -4.450 515 H PHE 65 HN PHE 65 8.262 -6.724 -3.467 516 HA PHE 65 HA PHE 65 6.240 -7.943 -4.999 517 1HB PHE 65 HB2 PHE 65 8.453 -8.374 -6.291 518 2HB PHE 65 HB1 PHE 65 8.754 -9.545 -5.023 519 HD1 PHE 65 HD1 PHE 65 5.607 -8.644 -6.781 520 HD2 PHE 65 HD2 PHE 65 8.522 -11.642 -5.998 521 HE1 PHE 65 HE1 PHE 65 4.243 -10.282 -8.005 522 HE2 PHE 65 HE2 PHE 65 7.163 -13.288 -7.222 523 HZ PHE 65 HZ PHE 65 5.020 -12.607 -8.230 524 H SER 66 HN SER 66 5.727 -10.171 -4.211 525 HA SER 66 HA SER 66 5.483 -11.791 -2.620 526 1HB SER 66 HB2 SER 66 8.011 -10.810 -1.961 527 2HB SER 66 HB1 SER 66 7.098 -10.726 -0.457 528 HG SER 66 HG SER 66 7.786 -12.951 -2.006 529 H LEU 67 HN LEU 67 4.484 -12.048 -0.471 530 HA LEU 67 HA LEU 67 2.870 -9.680 0.151 531 1HB LEU 67 HB2 LEU 67 1.584 -11.575 -0.601 532 2HB LEU 67 HB1 LEU 67 2.347 -12.614 0.588 533 HG LEU 67 HG LEU 67 0.856 -10.247 1.596 534 1HD1 LEU 67 1HD1 LEU 67 -0.391 -11.786 -0.273 535 2HD1 LEU 67 2HD1 LEU 67 -1.203 -10.915 1.028 536 3HD1 LEU 67 3HD1 LEU 67 -0.810 -12.624 1.222 537 1HD2 LEU 67 1HD2 LEU 67 2.146 -12.313 2.780 538 2HD2 LEU 67 2HD2 LEU 67 0.494 -12.932 2.731 539 3HD2 LEU 67 3HD2 LEU 67 0.838 -11.396 3.527 540 H PHE 68 HN PHE 68 2.919 -8.752 2.100 541 HA PHE 68 HA PHE 68 4.659 -9.939 4.136 542 1HB PHE 68 HB2 PHE 68 5.403 -7.854 4.452 543 2HB PHE 68 HB1 PHE 68 4.360 -7.312 3.149 544 HD1 PHE 68 HD1 PHE 68 1.774 -7.042 4.026 545 HD2 PHE 68 HD2 PHE 68 5.305 -6.643 6.365 546 HE1 PHE 68 HE1 PHE 68 0.558 -5.607 5.608 547 HE2 PHE 68 HE2 PHE 68 4.097 -5.206 7.950 548 HZ PHE 68 HZ PHE 68 1.720 -4.678 7.574 549 H GLU 69 HN GLU 69 1.402 -8.909 3.507 550 HA GLU 69 HA GLU 69 0.297 -10.546 5.519 551 1HB GLU 69 HB2 GLU 69 1.205 -8.155 6.545 552 2HB GLU 69 HB1 GLU 69 -0.488 -7.809 6.219 553 1HG GLU 69 HG2 GLU 69 -0.180 -10.370 7.504 554 2HG GLU 69 HG1 GLU 69 0.578 -9.087 8.444 555 H LYS 70 HN LYS 70 -2.086 -10.385 5.551 556 HA LYS 70 HA LYS 70 -3.227 -8.818 3.365 557 1HB LYS 70 HB2 LYS 70 -4.514 -10.919 2.654 558 2HB LYS 70 HB1 LYS 70 -2.827 -10.802 2.173 559 1HG LYS 70 HG2 LYS 70 -2.171 -12.499 3.540 560 2HG LYS 70 HG1 LYS 70 -3.443 -12.186 4.723 561 1HD LYS 70 HD2 LYS 70 -4.226 -14.129 3.798 562 2HD LYS 70 HD1 LYS 70 -5.005 -12.950 2.740 563 1HE LYS 70 HE2 LYS 70 -4.094 -14.553 1.290 564 2HE LYS 70 HE1 LYS 70 -2.966 -13.199 1.234 565 1HZ LYS 70 HZ1 LYS 70 -1.625 -15.069 1.454 566 2HZ LYS 70 HZ2 LYS 70 -2.642 -15.806 2.586 567 3HZ LYS 70 HZ3 LYS 70 -1.710 -14.467 3.032 568 H LEU 71 HN LEU 71 -5.189 -8.022 3.853 569 HA LEU 71 HA LEU 71 -6.576 -9.147 6.198 570 1HB LEU 71 HB2 LEU 71 -5.724 -7.008 6.805 571 2HB LEU 71 HB1 LEU 71 -6.279 -6.286 5.308 572 HG LEU 71 HG LEU 71 -8.636 -6.715 6.082 573 1HD1 LEU 71 1HD1 LEU 71 -7.548 -8.362 7.905 574 2HD1 LEU 71 2HD1 LEU 71 -9.127 -7.600 8.096 575 3HD1 LEU 71 3HD1 LEU 71 -7.709 -6.896 8.873 576 1HD2 LEU 71 1HD2 LEU 71 -8.735 -4.669 7.071 577 2HD2 LEU 71 2HD2 LEU 71 -7.092 -4.584 6.435 578 3HD2 LEU 71 3HD2 LEU 71 -7.362 -4.991 8.130 579 H GLU 72 HN GLU 72 -8.469 -10.025 5.741 580 HA GLU 72 HA GLU 72 -9.932 -9.064 3.375 581 1HB GLU 72 HB2 GLU 72 -9.316 -11.272 2.884 582 2HB GLU 72 HB1 GLU 72 -9.583 -11.813 4.535 583 1HG GLU 72 HG2 GLU 72 -11.899 -11.862 4.269 584 2HG GLU 72 HG1 GLU 72 -11.841 -10.875 2.809 585 H TYR 73 HN TYR 73 -11.549 -7.803 4.014 586 HA TYR 73 HA TYR 73 -13.380 -8.805 6.060 587 1HB TYR 73 HB2 TYR 73 -13.505 -6.653 7.183 588 2HB TYR 73 HB1 TYR 73 -11.842 -7.230 7.196 589 HD1 TYR 73 HD1 TYR 73 -13.768 -4.404 6.804 590 HD2 TYR 73 HD2 TYR 73 -10.500 -6.409 4.962 591 HE1 TYR 73 HE1 TYR 73 -13.034 -2.279 5.808 592 HE2 TYR 73 HE2 TYR 73 -9.756 -4.291 3.960 593 HH TYR 73 HH TYR 73 -10.320 -1.534 4.857 594 H GLU 74 HN GLU 74 -15.521 -8.164 5.791 595 HA GLU 74 HA GLU 74 -16.072 -6.668 3.314 596 1HB GLU 74 HB2 GLU 74 -18.220 -8.075 3.254 597 2HB GLU 74 HB1 GLU 74 -16.717 -8.848 2.774 598 1HG GLU 74 HG2 GLU 74 -16.637 -9.579 5.278 599 2HG GLU 74 HG1 GLU 74 -18.368 -9.258 5.218 600 H PHE 75 HN PHE 75 -17.123 -4.863 3.600 601 HA PHE 75 HA PHE 75 -18.181 -4.066 6.112 602 1HB PHE 75 HB2 PHE 75 -17.648 -2.864 3.523 603 2HB PHE 75 HB1 PHE 75 -19.178 -2.307 4.186 604 HD1 PHE 75 HD1 PHE 75 -15.767 -3.034 5.521 605 HD2 PHE 75 HD2 PHE 75 -19.032 -0.312 5.299 606 HE1 PHE 75 HE1 PHE 75 -14.550 -1.462 6.970 607 HE2 PHE 75 HE2 PHE 75 -17.820 1.265 6.747 608 HZ PHE 75 HZ PHE 75 -15.576 0.692 7.584 609 HA PRO 76 HA PRO 76 -22.428 -5.216 6.130 610 1HB PRO 76 HB2 PRO 76 -23.701 -2.720 6.159 611 2HB PRO 76 HB1 PRO 76 -23.167 -3.632 7.574 612 1HG PRO 76 HG2 PRO 76 -21.834 -1.376 6.157 613 2HG PRO 76 HG1 PRO 76 -21.861 -1.761 7.887 614 1HD PRO 76 HD2 PRO 76 -19.703 -2.256 6.380 615 2HD PRO 76 HD1 PRO 76 -20.186 -3.358 7.685 616 H ASP 77 HN ASP 77 -22.195 -5.987 3.960 617 HA ASP 77 HA ASP 77 -23.449 -6.353 2.033 618 1HB ASP 77 HB2 ASP 77 -24.062 -3.395 1.940 619 2HB ASP 77 HB1 ASP 77 -24.805 -4.672 0.984 620 H ARG 78 HN ARG 78 -20.650 -5.181 2.593 621 HA ARG 78 HA ARG 78 -19.980 -4.823 -0.235 622 1HB ARG 78 HB2 ARG 78 -20.070 -2.587 0.882 623 2HB ARG 78 HB1 ARG 78 -18.809 -3.129 1.978 624 1HG ARG 78 HG2 ARG 78 -18.053 -3.546 -0.779 625 2HG ARG 78 HG1 ARG 78 -18.474 -1.861 -0.468 626 1HD ARG 78 HD2 ARG 78 -16.956 -2.471 1.716 627 2HD ARG 78 HD1 ARG 78 -16.185 -3.439 0.460 628 HE ARG 78 HE ARG 78 -16.433 -1.015 -0.707 629 1HH1 ARG 78 1HH1 ARG 78 -15.113 -2.053 2.353 630 2HH1 ARG 78 2HH1 ARG 78 -13.944 -0.777 2.424 631 1HH2 ARG 78 1HH2 ARG 78 -14.896 0.664 -0.615 632 2HH2 ARG 78 2HH2 ARG 78 -13.820 0.765 0.740 633 H HIS 79 HN HIS 79 -17.882 -5.530 -0.808 634 HA HIS 79 HA HIS 79 -16.498 -7.090 1.273 635 1HB HIS 79 HB2 HIS 79 -17.763 -8.510 -0.361 636 2HB HIS 79 HB1 HIS 79 -16.740 -7.866 -1.640 637 HD1 HIS 79 HD1 HIS 79 -14.371 -8.796 -1.838 638 HD2 HIS 79 HD2 HIS 79 -16.472 -10.296 1.418 639 HE1 HIS 79 HE1 HIS 79 -12.994 -10.715 -0.976 640 HE2 HIS 79 HE2 HIS 79 -14.326 -11.659 0.943 641 H ILE 80 HN ILE 80 -14.703 -5.950 1.701 642 HA ILE 80 HA ILE 80 -13.158 -4.887 -0.558 643 HB ILE 80 HB ILE 80 -13.750 -3.081 0.848 644 1HG1 ILE 80 2HG1 ILE 80 -11.118 -3.553 2.103 645 2HG1 ILE 80 1HG1 ILE 80 -11.162 -3.666 0.348 646 1HG2 ILE 80 1HG2 ILE 80 -14.531 -4.290 2.776 647 2HG2 ILE 80 2HG2 ILE 80 -13.345 -3.090 3.288 648 3HG2 ILE 80 3HG2 ILE 80 -12.888 -4.790 3.175 649 1HD1 ILE 80 1HD1 ILE 80 -11.923 -1.307 2.047 650 2HD1 ILE 80 2HD1 ILE 80 -12.216 -1.406 0.310 651 3HD1 ILE 80 3HD1 ILE 80 -10.565 -1.440 0.930 652 H THR 81 HN THR 81 -11.526 -6.179 -1.093 653 HA THR 81 HA THR 81 -10.220 -7.809 0.960 654 HB THR 81 HB THR 81 -9.099 -8.416 -1.527 655 HG1 THR 81 HG1 THR 81 -11.903 -8.150 -1.803 656 1HG2 THR 81 1HG2 THR 81 -11.077 -10.261 -1.319 657 2HG2 THR 81 2HG2 THR 81 -10.921 -9.707 0.349 658 3HG2 THR 81 3HG2 THR 81 -9.516 -10.349 -0.503 659 H LEU 82 HN LEU 82 -8.392 -7.051 1.852 660 HA LEU 82 HA LEU 82 -6.749 -5.203 0.249 661 1HB LEU 82 HB2 LEU 82 -7.570 -5.196 3.086 662 2HB LEU 82 HB1 LEU 82 -5.919 -4.707 2.761 663 HG LEU 82 HG LEU 82 -8.249 -3.458 1.327 664 1HD1 LEU 82 1HD1 LEU 82 -7.036 -1.955 3.531 665 2HD1 LEU 82 2HD1 LEU 82 -8.011 -3.338 4.027 666 3HD1 LEU 82 3HD1 LEU 82 -8.720 -2.072 3.024 667 1HD2 LEU 82 1HD2 LEU 82 -5.840 -3.262 0.513 668 2HD2 LEU 82 2HD2 LEU 82 -5.559 -2.279 1.951 669 3HD2 LEU 82 3HD2 LEU 82 -6.739 -1.763 0.746 670 H TRP 83 HN TRP 83 -4.961 -6.107 -0.483 671 HA TRP 83 HA TRP 83 -3.637 -8.172 1.147 672 1HB TRP 83 HB2 TRP 83 -3.472 -7.640 -1.829 673 2HB TRP 83 HB1 TRP 83 -2.515 -8.847 -0.977 674 HD1 TRP 83 HD1 TRP 83 -6.251 -8.266 -0.332 675 HE1 TRP 83 HE1 TRP 83 -7.532 -10.402 -0.963 676 HE3 TRP 83 HE3 TRP 83 -2.399 -10.941 -2.350 677 HZ2 TRP 83 HZ2 TRP 83 -6.980 -12.901 -2.162 678 HZ3 TRP 83 HZ3 TRP 83 -2.857 -13.198 -3.218 679 HH2 TRP 83 HH2 TRP 83 -5.101 -14.156 -3.124 680 H PHE 84 HN PHE 84 -1.815 -7.618 2.110 681 HA PHE 84 HA PHE 84 -0.435 -5.198 1.201 682 1HB PHE 84 HB2 PHE 84 -0.436 -6.644 3.842 683 2HB PHE 84 HB1 PHE 84 0.784 -5.441 3.448 684 HD1 PHE 84 HD1 PHE 84 0.281 -3.767 5.015 685 HD2 PHE 84 HD2 PHE 84 -2.804 -5.321 2.522 686 HE1 PHE 84 HE1 PHE 84 -1.229 -1.983 5.771 687 HE2 PHE 84 HE2 PHE 84 -4.313 -3.536 3.275 688 HZ PHE 84 HZ PHE 84 -3.528 -1.864 4.902 689 H TRP 85 HN TRP 85 1.455 -5.308 0.172 690 HA TRP 85 HA TRP 85 2.847 -7.894 0.113 691 1HB TRP 85 HB2 TRP 85 2.833 -5.616 -1.868 692 2HB TRP 85 HB1 TRP 85 3.860 -7.040 -2.013 693 HD1 TRP 85 HD1 TRP 85 0.053 -6.655 -1.304 694 HE1 TRP 85 HE1 TRP 85 -1.206 -8.216 -2.914 695 HE3 TRP 85 HE3 TRP 85 4.041 -8.555 -3.877 696 HZ2 TRP 85 HZ2 TRP 85 -0.592 -10.016 -5.001 697 HZ3 TRP 85 HZ3 TRP 85 3.619 -10.192 -5.664 698 HH2 TRP 85 HH2 TRP 85 1.350 -10.907 -6.213 699 H LEU 86 HN LEU 86 5.100 -8.028 0.283 700 HA LEU 86 HA LEU 86 6.289 -5.818 1.789 701 1HB LEU 86 HB2 LEU 86 7.878 -7.374 2.625 702 2HB LEU 86 HB1 LEU 86 6.297 -8.115 2.741 703 HG LEU 86 HG LEU 86 7.175 -9.013 0.301 704 1HD1 LEU 86 1HD1 LEU 86 9.428 -7.959 1.149 705 2HD1 LEU 86 2HD1 LEU 86 9.407 -9.508 0.307 706 3HD1 LEU 86 3HD1 LEU 86 9.527 -9.464 2.066 707 1HD2 LEU 86 1HD2 LEU 86 6.921 -10.099 3.031 708 2HD2 LEU 86 2HD2 LEU 86 7.890 -11.050 1.906 709 3HD2 LEU 86 3HD2 LEU 86 6.216 -10.658 1.514 710 H VAL 87 HN VAL 87 7.175 -4.377 0.477 711 HA VAL 87 HA VAL 87 8.569 -5.101 -1.958 712 HB VAL 87 HB VAL 87 8.369 -2.437 -0.613 713 1HG1 VAL 87 1HG1 VAL 87 9.492 -3.354 -3.166 714 2HG1 VAL 87 2HG1 VAL 87 9.924 -1.974 -2.164 715 3HG1 VAL 87 3HG1 VAL 87 8.527 -1.882 -3.234 716 1HG2 VAL 87 1HG2 VAL 87 6.398 -4.038 -2.018 717 2HG2 VAL 87 2HG2 VAL 87 6.629 -2.460 -2.777 718 3HG2 VAL 87 3HG2 VAL 87 6.175 -2.561 -1.077 719 H GLU 88 HN GLU 88 10.767 -4.876 -2.345 720 HA GLU 88 HA GLU 88 12.298 -4.601 0.131 721 1HB GLU 88 HB2 GLU 88 12.550 -6.770 -0.921 722 2HB GLU 88 HB1 GLU 88 13.044 -6.013 -2.429 723 1HG GLU 88 HG2 GLU 88 15.147 -6.139 -1.773 724 2HG GLU 88 HG1 GLU 88 14.779 -5.041 -0.444 725 H ARG 89 HN ARG 89 12.126 -3.277 -3.160 726 HA ARG 89 HA ARG 89 13.686 -1.037 -2.283 727 1HB ARG 89 HB2 ARG 89 15.710 -1.824 -2.795 728 2HB ARG 89 HB1 ARG 89 15.033 -3.258 -3.541 729 1HG ARG 89 HG2 ARG 89 16.172 -2.393 -5.306 730 2HG ARG 89 HG1 ARG 89 14.621 -1.599 -5.558 731 1HD ARG 89 HD2 ARG 89 15.764 0.318 -5.572 732 2HD ARG 89 HD1 ARG 89 15.941 0.101 -3.831 733 HE ARG 89 HE ARG 89 17.962 -1.286 -5.283 734 1HH1 ARG 89 1HH1 ARG 89 17.025 1.869 -4.123 735 2HH1 ARG 89 2HH1 ARG 89 18.649 2.465 -4.055 736 1HH2 ARG 89 1HH2 ARG 89 20.099 -0.505 -5.193 737 2HH2 ARG 89 2HH2 ARG 89 20.395 1.118 -4.663 738 H TRP 90 HN TRP 90 14.024 0.584 -4.052 739 HA TRP 90 HA TRP 90 12.362 0.238 -6.370 740 1HB TRP 90 HB2 TRP 90 10.800 1.925 -5.990 741 2HB TRP 90 HB1 TRP 90 10.889 1.073 -4.457 742 HD1 TRP 90 HD1 TRP 90 12.402 4.266 -6.068 743 HE1 TRP 90 HE1 TRP 90 12.574 6.055 -4.226 744 HE3 TRP 90 HE3 TRP 90 10.830 1.484 -2.076 745 HZ2 TRP 90 HZ2 TRP 90 12.098 6.259 -1.462 746 HZ3 TRP 90 HZ3 TRP 90 10.715 2.563 0.135 747 HH2 TRP 90 HH2 TRP 90 11.337 4.902 0.435 748 H GLU 91 HN GLU 91 13.011 1.380 -8.128 749 HA GLU 91 HA GLU 91 15.567 2.651 -7.944 750 1HB GLU 91 HB2 GLU 91 13.718 1.834 -10.084 751 2HB GLU 91 HB1 GLU 91 14.695 3.245 -10.459 752 1HG GLU 91 HG2 GLU 91 16.573 1.594 -9.440 753 2HG GLU 91 HG1 GLU 91 15.467 0.430 -10.167 754 H GLY 92 HN GLY 92 16.084 4.768 -7.878 755 1HA GLY 92 HA2 GLY 92 15.770 7.016 -7.493 756 2HA GLY 92 HA1 GLY 92 14.618 6.914 -8.814 757 H GLU 93 HN GLU 93 12.551 7.271 -8.386 758 HA GLU 93 HA GLU 93 11.608 6.990 -5.630 759 1HB GLU 93 HB2 GLU 93 10.927 9.367 -7.351 760 2HB GLU 93 HB1 GLU 93 10.517 9.119 -5.657 761 1HG GLU 93 HG2 GLU 93 12.988 9.073 -5.195 762 2HG GLU 93 HG1 GLU 93 13.217 9.637 -6.847 763 HA PRO 94 HA PRO 94 8.198 5.034 -7.692 764 1HB PRO 94 HB2 PRO 94 6.580 5.328 -5.303 765 2HB PRO 94 HB1 PRO 94 7.345 3.871 -5.939 766 1HG PRO 94 HG2 PRO 94 8.119 5.087 -3.622 767 2HG PRO 94 HG1 PRO 94 9.209 4.127 -4.638 768 1HD PRO 94 HD2 PRO 94 8.907 7.103 -4.468 769 2HD PRO 94 HD1 PRO 94 10.381 6.126 -4.595 770 H TRP 95 HN TRP 95 6.740 5.923 -9.032 771 HA TRP 95 HA TRP 95 5.352 8.344 -8.109 772 1HB TRP 95 HB2 TRP 95 5.334 8.992 -10.589 773 2HB TRP 95 HB1 TRP 95 6.855 9.153 -9.722 774 HD1 TRP 95 HD1 TRP 95 8.812 7.459 -10.371 775 HE1 TRP 95 HE1 TRP 95 9.261 6.068 -12.494 776 HE3 TRP 95 HE3 TRP 95 4.123 7.548 -12.381 777 HZ2 TRP 95 HZ2 TRP 95 7.810 5.151 -14.729 778 HZ3 TRP 95 HZ3 TRP 95 3.736 6.396 -14.518 779 HH2 TRP 95 HH2 TRP 95 5.540 5.212 -15.661 780 H GLY 96 HN GLY 96 5.198 5.919 -10.691 781 1HA GLY 96 HA2 GLY 96 3.356 5.044 -11.800 782 2HA GLY 96 HA1 GLY 96 2.863 4.662 -10.163 783 H LYS 97 HN LYS 97 1.251 5.823 -9.181 784 HA LYS 97 HA LYS 97 0.224 8.282 -9.960 785 1HB LYS 97 HB2 LYS 97 -0.347 6.504 -11.938 786 2HB LYS 97 HB1 LYS 97 -1.772 6.331 -10.923 787 1HG LYS 97 HG2 LYS 97 -2.438 7.985 -12.357 788 2HG LYS 97 HG1 LYS 97 -1.808 8.936 -11.010 789 1HD LYS 97 HD2 LYS 97 0.170 8.202 -13.060 790 2HD LYS 97 HD1 LYS 97 -1.103 9.295 -13.605 791 1HE LYS 97 HE2 LYS 97 -0.453 10.418 -11.229 792 2HE LYS 97 HE1 LYS 97 1.104 9.747 -11.711 793 1HZ LYS 97 HZ1 LYS 97 -0.495 11.362 -13.593 794 2HZ LYS 97 HZ2 LYS 97 1.167 11.052 -13.611 795 3HZ LYS 97 HZ3 LYS 97 0.517 12.104 -12.458 796 H GLU 98 HN GLU 98 0.718 6.811 -7.576 797 HA GLU 98 HA GLU 98 -1.612 5.744 -6.429 798 1HB GLU 98 HB2 GLU 98 -0.408 5.963 -4.323 799 2HB GLU 98 HB1 GLU 98 0.643 5.328 -5.580 800 1HG GLU 98 HG2 GLU 98 0.606 8.140 -4.519 801 2HG GLU 98 HG1 GLU 98 1.825 6.913 -4.249 802 H GLY 99 HN GLY 99 -0.207 9.022 -6.322 803 1HA GLY 99 HA2 GLY 99 -2.210 10.664 -6.472 804 2HA GLY 99 HA1 GLY 99 -2.625 9.942 -4.928 805 H GLN 100 HN GLN 100 -1.593 10.597 -3.100 806 HA GLN 100 HA GLN 100 -0.236 13.114 -3.213 807 1HB GLN 100 HB2 GLN 100 -0.581 11.349 -0.796 808 2HB GLN 100 HB1 GLN 100 -0.336 13.089 -0.829 809 1HG GLN 100 HG2 GLN 100 -2.513 13.454 -0.955 810 2HG GLN 100 HG1 GLN 100 -2.661 12.396 -2.357 811 1HE2 GLN 100 1HE2 GLN 100 -1.931 9.980 -1.246 812 2HE2 GLN 100 2HE2 GLN 100 -3.116 9.505 -0.083 813 HA PRO 101 HA PRO 101 3.909 11.568 -3.937 814 1HB PRO 101 HB2 PRO 101 4.282 14.241 -2.630 815 2HB PRO 101 HB1 PRO 101 5.147 13.545 -4.008 816 1HG PRO 101 HG2 PRO 101 3.255 15.327 -4.429 817 2HG PRO 101 HG1 PRO 101 3.339 13.881 -5.454 818 1HD PRO 101 HD2 PRO 101 1.443 14.534 -3.252 819 2HD PRO 101 HD1 PRO 101 1.169 13.614 -4.746 820 H GLY 102 HN GLY 102 5.493 10.660 -2.652 821 1HA GLY 102 HA2 GLY 102 5.136 10.959 0.269 822 2HA GLY 102 HA1 GLY 102 5.476 9.410 -0.486 823 H GLU 103 HN GLU 103 7.120 9.944 1.437 824 HA GLU 103 HA GLU 103 9.625 10.656 0.093 825 1HB GLU 103 HB2 GLU 103 8.455 11.957 2.495 826 2HB GLU 103 HB1 GLU 103 10.182 11.629 2.532 827 1HG GLU 103 HG2 GLU 103 8.817 13.131 0.314 828 2HG GLU 103 HG1 GLU 103 9.545 13.903 1.722 829 H TRP 104 HN TRP 104 11.538 9.746 1.168 830 HA TRP 104 HA TRP 104 11.015 7.093 2.102 831 1HB TRP 104 HB2 TRP 104 13.747 8.199 2.489 832 2HB TRP 104 HB1 TRP 104 13.248 6.677 1.759 833 HD1 TRP 104 HD1 TRP 104 11.431 7.895 -0.579 834 HE1 TRP 104 HE1 TRP 104 12.579 9.065 -2.568 835 HE3 TRP 104 HE3 TRP 104 15.918 9.004 1.607 836 HZ2 TRP 104 HZ2 TRP 104 15.058 10.293 -3.132 837 HZ3 TRP 104 HZ3 TRP 104 17.624 10.176 0.276 838 HH2 TRP 104 HH2 TRP 104 17.201 10.807 -2.045 839 H MET 105 HN MET 105 10.162 6.829 4.057 840 HA MET 105 HA MET 105 11.419 8.235 6.321 841 1HB MET 105 HB2 MET 105 8.908 7.425 7.212 842 2HB MET 105 HB1 MET 105 9.396 9.060 6.799 843 1HG MET 105 HG2 MET 105 8.565 8.790 4.556 844 2HG MET 105 HG1 MET 105 8.191 7.096 4.864 845 1HE MET 105 HE1 MET 105 6.549 10.807 5.135 846 2HE MET 105 HE2 MET 105 7.834 10.547 6.316 847 3HE MET 105 HE3 MET 105 6.158 10.680 6.850 848 H SER 106 HN SER 106 11.992 7.038 8.101 849 HA SER 106 HA SER 106 12.528 4.312 7.765 850 1HB SER 106 HB2 SER 106 13.059 4.303 10.178 851 2HB SER 106 HB1 SER 106 13.759 5.703 9.364 852 HG SER 106 HG SER 106 11.501 5.595 11.059 853 H LEU 107 HN LEU 107 11.106 2.713 7.619 854 HA LEU 107 HA LEU 107 8.412 2.910 8.374 855 1HB LEU 107 HB2 LEU 107 9.550 1.295 6.715 856 2HB LEU 107 HB1 LEU 107 9.842 0.285 8.117 857 HG LEU 107 HG LEU 107 7.785 -0.247 6.708 858 1HD1 LEU 107 1HD1 LEU 107 6.913 -1.284 8.497 859 2HD1 LEU 107 2HD1 LEU 107 6.789 0.205 9.433 860 3HD1 LEU 107 3HD1 LEU 107 8.331 -0.644 9.327 861 1HD2 LEU 107 1HD2 LEU 107 7.207 2.333 6.780 862 2HD2 LEU 107 2HD2 LEU 107 6.358 1.857 8.249 863 3HD2 LEU 107 3HD2 LEU 107 5.943 1.105 6.708 864 H VAL 108 HN VAL 108 11.190 2.222 10.243 865 HA VAL 108 HA VAL 108 10.137 0.570 12.243 866 HB VAL 108 HB VAL 108 12.202 2.738 12.639 867 1HG1 VAL 108 1HG1 VAL 108 11.605 0.186 14.127 868 2HG1 VAL 108 2HG1 VAL 108 11.456 1.837 14.730 869 3HG1 VAL 108 3HG1 VAL 108 13.049 1.167 14.378 870 1HG2 VAL 108 1HG2 VAL 108 13.734 1.541 11.529 871 2HG2 VAL 108 2HG2 VAL 108 12.363 0.705 10.801 872 3HG2 VAL 108 3HG2 VAL 108 13.168 0.017 12.212 873 H GLY 109 HN GLY 109 9.298 3.758 11.446 874 1HA GLY 109 HA2 GLY 109 8.234 4.250 14.145 875 2HA GLY 109 HA1 GLY 109 8.596 5.504 12.969 876 H LEU 110 HN LEU 110 6.916 2.473 12.353 877 HA LEU 110 HA LEU 110 4.826 3.686 10.909 878 1HB LEU 110 HB2 LEU 110 5.642 1.220 10.957 879 2HB LEU 110 HB1 LEU 110 4.534 1.042 12.303 880 HG LEU 110 HG LEU 110 3.268 0.307 10.511 881 1HD1 LEU 110 1HD1 LEU 110 2.612 3.243 10.489 882 2HD1 LEU 110 2HD1 LEU 110 2.144 2.141 11.784 883 3HD1 LEU 110 3HD1 LEU 110 1.533 1.891 10.150 884 1HD2 LEU 110 1HD2 LEU 110 4.687 0.745 8.690 885 2HD2 LEU 110 2HD2 LEU 110 4.584 2.489 8.924 886 3HD2 LEU 110 3HD2 LEU 110 3.184 1.596 8.333 887 H ASN 111 HN ASN 111 3.093 4.789 11.606 888 HA ASN 111 HA ASN 111 2.192 4.320 14.358 889 1HB ASN 111 HB2 ASN 111 3.164 6.721 13.177 890 2HB ASN 111 HB1 ASN 111 1.462 6.939 13.561 891 1HD2 ASN 111 1HD2 ASN 111 4.255 7.713 14.719 892 2HD2 ASN 111 2HD2 ASN 111 4.023 7.499 16.418 893 H ALA 112 HN ALA 112 0.171 3.812 14.670 894 HA ALA 112 HA ALA 112 -1.614 3.493 12.472 895 1HB ALA 112 HB1 ALA 112 -2.606 3.375 15.278 896 2HB ALA 112 HB2 ALA 112 -1.423 2.177 14.753 897 3HB ALA 112 HB3 ALA 112 -2.966 2.322 13.908 898 H ASP 113 HN ASP 113 -0.838 6.094 14.520 899 HA ASP 113 HA ASP 113 -3.405 7.375 14.513 900 1HB ASP 113 HB2 ASP 113 -1.422 7.644 16.193 901 2HB ASP 113 HB1 ASP 113 -0.839 8.834 15.031 902 H ASP 114 HN ASP 114 -0.322 7.977 12.807 903 HA ASP 114 HA ASP 114 -1.320 10.148 11.289 904 1HB ASP 114 HB2 ASP 114 0.776 8.942 9.819 905 2HB ASP 114 HB1 ASP 114 0.845 10.382 10.816 906 H PHE 115 HN PHE 115 -1.333 6.701 10.827 907 HA PHE 115 HA PHE 115 -2.286 6.949 8.088 908 1HB PHE 115 HB2 PHE 115 -1.528 4.833 7.819 909 2HB PHE 115 HB1 PHE 115 -0.738 5.061 9.382 910 HD1 PHE 115 HD1 PHE 115 -2.842 4.858 11.271 911 HD2 PHE 115 HD2 PHE 115 -2.278 2.656 7.693 912 HE1 PHE 115 HE1 PHE 115 -4.124 2.997 12.236 913 HE2 PHE 115 HE2 PHE 115 -3.561 0.788 8.639 914 HZ PHE 115 HZ PHE 115 -4.484 0.962 10.914 915 HA PRO 116 HA PRO 116 -6.585 6.410 8.988 916 1HB PRO 116 HB2 PRO 116 -7.446 4.411 7.372 917 2HB PRO 116 HB1 PRO 116 -6.995 6.006 6.760 918 1HG PRO 116 HG2 PRO 116 -5.412 3.467 6.783 919 2HG PRO 116 HG1 PRO 116 -5.566 4.680 5.498 920 1HD PRO 116 HD2 PRO 116 -3.422 4.550 7.164 921 2HD PRO 116 HD1 PRO 116 -3.998 6.067 6.448 922 HA PRO 117 HA PRO 117 -6.570 3.289 12.222 923 1HB PRO 117 HB2 PRO 117 -9.112 3.777 13.121 924 2HB PRO 117 HB1 PRO 117 -7.700 4.737 13.574 925 1HG PRO 117 HG2 PRO 117 -9.783 5.291 11.497 926 2HG PRO 117 HG1 PRO 117 -9.041 6.402 12.664 927 1HD PRO 117 HD2 PRO 117 -8.271 6.335 10.091 928 2HD PRO 117 HD1 PRO 117 -7.113 6.639 11.402 929 H ALA 118 HN ALA 118 -8.694 3.429 9.521 930 HA ALA 118 HA ALA 118 -10.251 1.124 10.128 931 1HB ALA 118 HB1 ALA 118 -9.896 2.900 7.794 932 2HB ALA 118 HB2 ALA 118 -11.370 2.359 8.597 933 3HB ALA 118 HB3 ALA 118 -10.526 1.282 7.483 934 H ASN 119 HN ASN 119 -7.033 1.442 9.244 935 HA ASN 119 HA ASN 119 -6.987 -1.310 8.186 936 1HB ASN 119 HB2 ASN 119 -5.800 1.178 7.220 937 2HB ASN 119 HB1 ASN 119 -4.633 -0.134 7.334 938 1HD2 ASN 119 1HD2 ASN 119 -8.077 -0.343 6.625 939 2HD2 ASN 119 2HD2 ASN 119 -7.898 -0.975 5.030 940 H GLU 120 HN GLU 120 -6.842 -0.544 10.977 941 HA GLU 120 HA GLU 120 -4.115 -0.613 11.820 942 1HB GLU 120 HB2 GLU 120 -6.678 -0.232 13.046 943 2HB GLU 120 HB1 GLU 120 -5.755 -1.408 13.970 944 1HG GLU 120 HG2 GLU 120 -4.337 1.046 13.141 945 2HG GLU 120 HG1 GLU 120 -5.588 1.216 14.372 946 HA PRO 121 HA PRO 121 -5.548 -5.275 12.859 947 1HB PRO 121 HB2 PRO 121 -6.470 -5.683 10.048 948 2HB PRO 121 HB1 PRO 121 -7.029 -6.452 11.539 949 1HG PRO 121 HG2 PRO 121 -8.470 -4.537 10.388 950 2HG PRO 121 HG1 PRO 121 -8.322 -4.624 12.153 951 1HD PRO 121 HD2 PRO 121 -7.024 -2.752 10.231 952 2HD PRO 121 HD1 PRO 121 -7.571 -2.465 11.895 953 H VAL 122 HN VAL 122 -4.562 -4.281 9.579 954 HA VAL 122 HA VAL 122 -2.581 -6.351 9.383 955 HB VAL 122 HB VAL 122 -2.480 -3.968 7.594 956 1HG1 VAL 122 1HG1 VAL 122 -2.384 -6.901 6.933 957 2HG1 VAL 122 2HG1 VAL 122 -0.967 -5.973 7.424 958 3HG1 VAL 122 3HG1 VAL 122 -1.835 -5.545 5.950 959 1HG2 VAL 122 1HG2 VAL 122 -4.690 -4.070 7.216 960 2HG2 VAL 122 2HG2 VAL 122 -4.848 -5.659 7.963 961 3HG2 VAL 122 3HG2 VAL 122 -4.295 -5.520 6.293 962 H ILE 123 HN ILE 123 -2.457 -2.812 9.651 963 HA ILE 123 HA ILE 123 0.343 -2.632 9.815 964 HB ILE 123 HB ILE 123 -1.837 -0.743 10.679 965 1HG1 ILE 123 2HG1 ILE 123 -0.825 -1.439 8.179 966 2HG1 ILE 123 1HG1 ILE 123 -1.795 -0.021 8.552 967 1HG2 ILE 123 1HG2 ILE 123 1.145 -0.294 10.698 968 2HG2 ILE 123 2HG2 ILE 123 0.057 -0.269 12.088 969 3HG2 ILE 123 3HG2 ILE 123 -0.064 0.982 10.851 970 1HD1 ILE 123 1HD1 ILE 123 1.211 -0.121 8.611 971 2HD1 ILE 123 2HD1 ILE 123 0.195 1.304 8.860 972 3HD1 ILE 123 3HD1 ILE 123 0.234 0.510 7.283 973 H ALA 124 HN ALA 124 -2.123 -3.100 12.273 974 HA ALA 124 HA ALA 124 -0.671 -2.483 14.557 975 1HB ALA 124 HB1 ALA 124 -2.934 -2.905 14.904 976 2HB ALA 124 HB2 ALA 124 -2.143 -4.304 15.632 977 3HB ALA 124 HB3 ALA 124 -2.880 -4.439 14.035 978 H LYS 125 HN LYS 125 -0.527 -5.286 12.479 979 HA LYS 125 HA LYS 125 0.945 -6.946 14.265 980 1HB LYS 125 HB2 LYS 125 -0.375 -7.634 12.179 981 2HB LYS 125 HB1 LYS 125 1.040 -7.135 11.262 982 1HG LYS 125 HG2 LYS 125 1.831 -9.184 11.549 983 2HG LYS 125 HG1 LYS 125 2.056 -8.781 13.253 984 1HD LYS 125 HD2 LYS 125 0.329 -10.063 13.906 985 2HD LYS 125 HD1 LYS 125 -0.682 -9.558 12.551 986 1HE LYS 125 HE2 LYS 125 -0.345 -11.825 12.156 987 2HE LYS 125 HE1 LYS 125 0.854 -11.048 11.125 988 1HZ LYS 125 HZ1 LYS 125 1.362 -12.240 13.797 989 2HZ LYS 125 HZ2 LYS 125 2.520 -11.456 12.845 990 3HZ LYS 125 HZ3 LYS 125 1.821 -12.900 12.307 991 H LEU 126 HN LEU 126 1.993 -5.038 11.429 992 HA LEU 126 HA LEU 126 4.765 -5.506 12.010 993 1HB LEU 126 HB2 LEU 126 5.136 -4.808 9.920 994 2HB LEU 126 HB1 LEU 126 3.397 -4.898 9.742 995 HG LEU 126 HG LEU 126 4.883 -2.378 10.492 996 1HD1 LEU 126 1HD1 LEU 126 3.673 -2.961 7.812 997 2HD1 LEU 126 2HD1 LEU 126 5.348 -3.371 8.178 998 3HD1 LEU 126 3HD1 LEU 126 4.812 -1.693 8.264 999 1HD2 LEU 126 1HD2 LEU 126 2.404 -1.838 9.300 1000 2HD2 LEU 126 2HD2 LEU 126 2.859 -1.609 10.988 1001 3HD2 LEU 126 3HD2 LEU 126 2.108 -3.120 10.473 1002 H LYS 127 HN LYS 127 2.446 -2.995 12.665 1003 HA LYS 127 HA LYS 127 4.090 -0.830 13.206 1004 1HB LYS 127 HB2 LYS 127 1.631 -0.785 13.174 1005 2HB LYS 127 HB1 LYS 127 1.597 -1.632 14.708 1006 1HG LYS 127 HG2 LYS 127 2.734 0.234 15.779 1007 2HG LYS 127 HG1 LYS 127 2.801 1.088 14.235 1008 1HD LYS 127 HD2 LYS 127 0.928 2.042 15.149 1009 2HD LYS 127 HD1 LYS 127 0.199 0.691 14.279 1010 1HE LYS 127 HE2 LYS 127 1.076 0.110 17.030 1011 2HE LYS 127 HE1 LYS 127 -0.261 1.250 16.885 1012 1HZ LYS 127 HZ1 LYS 127 -1.071 -0.634 15.211 1013 2HZ LYS 127 HZ2 LYS 127 -1.449 -0.650 16.858 1014 3HZ LYS 127 HZ3 LYS 127 -0.171 -1.593 16.277 1015 H ARG 128 HN ARG 128 3.158 -3.527 15.285 1016 HA ARG 128 HA ARG 128 4.481 -2.597 17.610 1017 1HB ARG 128 HB2 ARG 128 2.767 -4.296 17.787 1018 2HB ARG 128 HB1 ARG 128 3.672 -5.379 16.740 1019 1HG ARG 128 HG2 ARG 128 5.427 -5.548 18.439 1020 2HG ARG 128 HG1 ARG 128 4.504 -4.471 19.489 1021 1HD ARG 128 HD2 ARG 128 2.868 -6.053 19.893 1022 2HD ARG 128 HD1 ARG 128 3.226 -6.949 18.417 1023 HE ARG 128 HE ARG 128 5.362 -6.977 20.342 1024 1HH1 ARG 128 1HH1 ARG 128 2.409 -8.529 19.319 1025 2HH1 ARG 128 2HH1 ARG 128 2.808 -10.048 20.047 1026 1HH2 ARG 128 1HH2 ARG 128 5.889 -8.975 21.301 1027 2HH2 ARG 128 2HH2 ARG 128 4.782 -10.301 21.173 1028 H LEU 129 HN LEU 129 5.626 -3.673 14.648 1029 HA LEU 129 HA LEU 129 7.638 -4.386 13.857 1030 1HB LEU 129 HB2 LEU 129 8.913 -3.070 16.218 1031 2HB LEU 129 HB1 LEU 129 9.462 -3.124 14.556 1032 HG LEU 129 HG LEU 129 7.036 -1.746 14.447 1033 1HD1 LEU 129 1HD1 LEU 129 6.985 -1.428 16.819 1034 2HD1 LEU 129 2HD1 LEU 129 7.423 0.102 16.062 1035 3HD1 LEU 129 3HD1 LEU 129 8.663 -0.888 16.832 1036 1HD2 LEU 129 1HD2 LEU 129 9.861 -0.691 14.502 1037 2HD2 LEU 129 2HD2 LEU 129 8.453 0.174 13.887 1038 3HD2 LEU 129 3HD2 LEU 129 9.003 -1.299 13.087 1039 1HO1 MO2 130 1HO1 MO2 130 -6.655 2.740 -11.261 1040 2HO1 MO2 130 2HO1 MO2 130 -3.802 3.503 -7.435 1041 1HO2 MO2 130 1HO2 MO2 130 -6.672 3.680 -10.076 1042 2HO2 MO2 130 2HO2 MO2 130 -4.478 4.432 -8.418 1043 1H5* 8OG 131 1H5* 8OG 131 -12.622 4.131 -3.659 1044 2H5* 8OG 131 2H5* 8OG 131 -12.541 4.013 -1.927 1045 H4* 8OG 131 1H4* 8OG 131 -10.422 3.274 -3.934 1046 H3* 8OG 131 1H3* 8OG 131 -12.505 1.715 -2.815 1047 1H2* 8OG 131 1H2* 8OG 131 -11.477 0.507 -1.237 1048 2H2* 8OG 131 2H2* 8OG 131 -10.231 0.046 -2.375 1049 H1* 8OG 131 1H1* 8OG 131 -8.777 1.431 -1.451 1050 H1 8OG 131 H1 8OG 131 -6.297 0.934 3.940 1051 H7 8OG 131 H7 8OG 131 -11.134 1.792 3.077 1052 1H2 8OG 131 H21 8OG 131 -4.802 0.868 0.779 1053 2H2 8OG 131 H22 8OG 131 -4.573 0.729 2.489 1054 H3T 8OG 131 *HO1 8OG 131 -11.659 0.151 -4.315
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