NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
4254 | 1f04 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 3 H1 ALA 3 -1.354 -9.845 -19.787 2 2H ALA 3 H2 ALA 3 -2.612 -10.065 -20.864 3 3H ALA 3 H3 ALA 3 -1.431 -8.925 -21.144 4 HA ALA 3 HA ALA 3 -3.537 -8.934 -19.132 5 1HB ALA 3 HB1 ALA 3 -2.507 -6.589 -20.784 6 2HB ALA 3 HB2 ALA 3 -3.813 -7.668 -21.331 7 3HB ALA 3 HB3 ALA 3 -4.021 -6.712 -19.858 8 H VAL 4 H VAL 4 -2.747 -6.221 -18.188 9 HA VAL 4 HA VAL 4 -0.478 -6.822 -16.443 10 HB VAL 4 HB VAL 4 -1.678 -5.285 -14.889 11 1HG1 VAL 4 HG11 VAL 4 -0.577 -3.570 -15.812 12 2HG1 VAL 4 HG12 VAL 4 -0.230 -4.615 -17.200 13 3HG1 VAL 4 HG13 VAL 4 -1.625 -3.526 -17.236 14 1HG2 VAL 4 HG21 VAL 4 -3.998 -5.747 -15.791 15 2HG2 VAL 4 HG22 VAL 4 -3.616 -4.043 -15.515 16 3HG2 VAL 4 HG23 VAL 4 -3.622 -4.692 -17.163 17 H LYS 5 H LYS 5 -0.777 -7.828 -14.299 18 HA LYS 5 HA LYS 5 -3.049 -9.778 -14.312 19 1HB LYS 5 HB2 LYS 5 -0.893 -10.839 -14.470 20 2HB LYS 5 HB3 LYS 5 -0.332 -10.028 -12.991 21 1HG LYS 5 HG2 LYS 5 -1.991 -11.155 -11.647 22 2HG LYS 5 HG3 LYS 5 -2.863 -11.725 -13.081 23 1HD LYS 5 HD2 LYS 5 -0.864 -13.150 -13.686 24 2HD LYS 5 HD3 LYS 5 -0.056 -12.559 -12.230 25 1HE LYS 5 HE2 LYS 5 -0.963 -14.690 -11.629 26 2HE LYS 5 HE3 LYS 5 -1.981 -13.472 -10.851 27 1HZ LYS 5 HZ1 LYS 5 -3.373 -15.074 -11.805 28 2HZ LYS 5 HZ2 LYS 5 -3.507 -13.767 -12.786 29 3HZ LYS 5 HZ3 LYS 5 -2.598 -15.058 -13.253 30 H TYR 6 H TYR 6 -4.570 -8.500 -13.411 31 HA TYR 6 HA TYR 6 -4.246 -6.851 -11.126 32 1HB TYR 6 HB2 TYR 6 -6.755 -8.366 -11.869 33 2HB TYR 6 HB3 TYR 6 -6.584 -6.795 -11.060 34 HD1 TYR 6 HD1 TYR 6 -6.867 -8.526 -14.273 35 HD2 TYR 6 HD2 TYR 6 -5.939 -4.817 -12.343 36 HE1 TYR 6 HE1 TYR 6 -7.072 -7.360 -16.443 37 HE2 TYR 6 HE2 TYR 6 -6.168 -3.612 -14.526 38 HH TYR 6 HH TYR 6 -6.758 -5.377 -17.574 39 H TYR 7 H TYR 7 -5.129 -7.258 -8.939 40 HA TYR 7 HA TYR 7 -4.899 -10.118 -8.078 41 1HB TYR 7 HB2 TYR 7 -3.981 -7.712 -6.501 42 2HB TYR 7 HB3 TYR 7 -3.770 -9.414 -6.105 43 HD1 TYR 7 HD1 TYR 7 -2.496 -6.547 -7.974 44 HD2 TYR 7 HD2 TYR 7 -2.117 -10.795 -7.391 45 HE1 TYR 7 HE1 TYR 7 -0.370 -6.534 -9.254 46 HE2 TYR 7 HE2 TYR 7 0.044 -10.769 -8.603 47 HH TYR 7 HH TYR 7 1.593 -9.482 -9.723 48 H THR 8 H THR 8 -6.479 -10.818 -6.682 49 HA THR 8 HA THR 8 -8.941 -9.261 -6.500 50 HB THR 8 HB THR 8 -9.752 -11.316 -5.347 51 HG1 THR 8 HG1 THR 8 -8.066 -13.086 -5.366 52 1HG2 THR 8 HG21 THR 8 -9.176 -12.995 -7.237 53 2HG2 THR 8 HG22 THR 8 -10.016 -11.501 -7.663 54 3HG2 THR 8 HG23 THR 8 -8.279 -11.669 -7.989 55 H LEU 9 H LEU 9 -9.956 -8.648 -4.452 56 HA LEU 9 HA LEU 9 -8.303 -7.488 -2.579 57 1HB LEU 9 HB2 LEU 9 -11.076 -7.841 -2.910 58 2HB LEU 9 HB3 LEU 9 -10.771 -8.602 -1.415 59 HG LEU 9 HG LEU 9 -9.957 -5.747 -2.112 60 1HD1 LEU 9 HD11 LEU 9 -12.103 -6.800 -0.226 61 2HD1 LEU 9 HD12 LEU 9 -11.653 -5.094 -0.435 62 3HD1 LEU 9 HD13 LEU 9 -12.375 -5.987 -1.781 63 1HD2 LEU 9 HD21 LEU 9 -9.385 -5.487 0.286 64 2HD2 LEU 9 HD22 LEU 9 -9.676 -7.217 0.549 65 3HD2 LEU 9 HD23 LEU 9 -8.334 -6.674 -0.480 66 H GLU 10 H GLU 10 -9.619 -10.807 -2.652 67 HA GLU 10 HA GLU 10 -8.703 -11.733 -0.187 68 1HB GLU 10 HB2 GLU 10 -10.228 -12.893 -1.849 69 2HB GLU 10 HB3 GLU 10 -8.781 -13.407 -2.710 70 1HG GLU 10 HG2 GLU 10 -9.438 -15.187 -1.208 71 2HG GLU 10 HG3 GLU 10 -7.941 -14.478 -0.597 72 H GLU 11 H GLU 11 -7.073 -12.169 -3.376 73 HA GLU 11 HA GLU 11 -4.712 -13.281 -2.325 74 1HB GLU 11 HB2 GLU 11 -5.537 -12.207 -4.919 75 2HB GLU 11 HB3 GLU 11 -3.900 -11.696 -4.562 76 1HG GLU 11 HG2 GLU 11 -3.949 -13.845 -5.769 77 2HG GLU 11 HG3 GLU 11 -3.218 -14.021 -4.166 78 H ILE 12 H ILE 12 -5.466 -9.829 -2.882 79 HA ILE 12 HA ILE 12 -2.955 -8.859 -1.946 80 HB ILE 12 HB ILE 12 -5.691 -7.546 -1.935 81 1HG1 ILE 12 HG12 ILE 12 -3.491 -7.148 -4.002 82 2HG1 ILE 12 HG13 ILE 12 -4.688 -8.410 -4.202 83 1HG2 ILE 12 HG21 ILE 12 -3.664 -5.595 -2.344 84 2HG2 ILE 12 HG22 ILE 12 -4.691 -5.794 -0.925 85 3HG2 ILE 12 HG23 ILE 12 -3.101 -6.572 -0.991 86 1HD1 ILE 12 HD11 ILE 12 -6.525 -6.785 -4.064 87 2HD1 ILE 12 HD12 ILE 12 -5.337 -5.476 -3.886 88 3HD1 ILE 12 HD13 ILE 12 -5.422 -6.406 -5.381 89 H GLN 13 H GLN 13 -6.009 -9.595 -0.243 90 HA GLN 13 HA GLN 13 -5.341 -8.840 2.392 91 1HB GLN 13 HB2 GLN 13 -7.397 -10.507 1.085 92 2HB GLN 13 HB3 GLN 13 -6.992 -11.060 2.678 93 1HG GLN 13 HG2 GLN 13 -7.525 -8.108 2.291 94 2HG GLN 13 HG3 GLN 13 -8.868 -9.250 2.225 95 1HE2 GLN 13 HE21 GLN 13 -9.903 -8.804 4.183 96 2HE2 GLN 13 HE22 GLN 13 -9.119 -9.063 5.732 97 H LYS 14 H LYS 14 -4.492 -11.842 0.590 98 HA LYS 14 HA LYS 14 -3.528 -13.182 2.921 99 1HB LYS 14 HB2 LYS 14 -2.663 -13.472 0.008 100 2HB LYS 14 HB3 LYS 14 -2.114 -14.474 1.351 101 1HG LYS 14 HG2 LYS 14 -4.622 -14.856 1.869 102 2HG LYS 14 HG3 LYS 14 -4.940 -14.222 0.253 103 1HD LYS 14 HD2 LYS 14 -3.907 -16.022 -0.819 104 2HD LYS 14 HD3 LYS 14 -2.904 -16.447 0.588 105 1HE LYS 14 HE2 LYS 14 -4.837 -17.256 1.839 106 2HE LYS 14 HE3 LYS 14 -5.944 -16.693 0.574 107 1HZ LYS 14 HZ1 LYS 14 -4.824 -18.271 -0.921 108 2HZ LYS 14 HZ2 LYS 14 -4.005 -18.894 0.373 109 3HZ LYS 14 HZ3 LYS 14 -5.647 -18.979 0.316 110 H HIS 15 H HIS 15 -2.239 -10.349 1.385 111 HA HIS 15 HA HIS 15 0.477 -10.851 2.494 112 1HB HIS 15 HB2 HIS 15 -0.564 -8.728 0.603 113 2HB HIS 15 HB3 HIS 15 1.078 -8.832 1.214 114 HD1 HIS 15 HD1 HIS 15 2.355 -9.340 -0.939 115 HD2 HIS 15 HD2 HIS 15 -0.948 -11.866 -0.310 116 HE1 HIS 15 HE1 HIS 15 2.430 -11.133 -2.758 117 H ASN 16 H ASN 16 -0.427 -10.666 4.721 118 HA ASN 16 HA ASN 16 -0.119 -7.956 5.759 119 1HB ASN 16 HB2 ASN 16 -2.312 -7.883 6.874 120 2HB ASN 16 HB3 ASN 16 -2.442 -7.812 5.115 121 1HD2 ASN 16 HD21 ASN 16 -4.714 -8.315 6.011 122 2HD2 ASN 16 HD22 ASN 16 -5.139 -9.972 5.708 123 H ASN 17 H ASN 17 1.670 -9.414 6.519 124 HA ASN 17 HA ASN 17 0.851 -10.636 9.156 125 1HB ASN 17 HB2 ASN 17 1.743 -12.140 6.924 126 2HB ASN 17 HB3 ASN 17 3.126 -12.059 8.012 127 1HD2 ASN 17 HD21 ASN 17 -0.322 -12.998 7.775 128 2HD2 ASN 17 HD22 ASN 17 -0.241 -14.139 9.103 129 H SER 18 H SER 18 3.864 -9.920 7.393 130 HA SER 18 HA SER 18 4.797 -8.198 9.618 131 1HB SER 18 HB2 SER 18 5.542 -10.335 10.379 132 2HB SER 18 HB3 SER 18 6.130 -10.813 8.787 133 HG SER 18 HG SER 18 7.580 -9.862 10.587 134 H LYS 19 H LYS 19 6.107 -9.884 6.725 135 HA LYS 19 HA LYS 19 7.215 -7.304 5.772 136 1HB LYS 19 HB2 LYS 19 7.661 -10.196 4.902 137 2HB LYS 19 HB3 LYS 19 8.226 -8.785 4.006 138 1HG LYS 19 HG2 LYS 19 10.089 -9.177 5.239 139 2HG LYS 19 HG3 LYS 19 9.274 -8.001 6.268 140 1HD LYS 19 HD2 LYS 19 8.276 -10.148 7.478 141 2HD LYS 19 HD3 LYS 19 9.481 -11.028 6.550 142 1HE LYS 19 HE2 LYS 19 10.493 -10.630 8.636 143 2HE LYS 19 HE3 LYS 19 11.245 -9.438 7.571 144 1HZ LYS 19 HZ1 LYS 19 8.839 -8.608 9.006 145 2HZ LYS 19 HZ2 LYS 19 10.167 -8.880 9.918 146 3HZ LYS 19 HZ3 LYS 19 10.249 -7.764 8.723 147 H SER 20 H SER 20 5.394 -10.034 4.290 148 HA SER 20 HA SER 20 4.750 -8.705 1.966 149 1HB SER 20 HB2 SER 20 4.230 -11.206 2.882 150 2HB SER 20 HB3 SER 20 2.615 -10.504 3.028 151 HG SER 20 HG SER 20 2.984 -11.376 0.944 152 H THR 21 H THR 21 3.953 -6.696 1.867 153 HA THR 21 HA THR 21 1.461 -6.000 3.335 154 HB THR 21 HB THR 21 4.133 -4.589 3.415 155 HG1 THR 21 HG1 THR 21 2.279 -5.688 5.219 156 1HG2 THR 21 HG21 THR 21 2.659 -2.810 4.734 157 2HG2 THR 21 HG22 THR 21 2.901 -2.681 2.990 158 3HG2 THR 21 HG23 THR 21 1.393 -3.350 3.617 159 H TRP 22 H TRP 22 0.274 -6.211 1.557 160 HA TRP 22 HA TRP 22 0.711 -4.263 -0.672 161 1HB TRP 22 HB2 TRP 22 -0.792 -6.905 -0.525 162 2HB TRP 22 HB3 TRP 22 -0.934 -5.755 -1.837 163 HD1 TRP 22 HD1 TRP 22 2.651 -6.045 -0.846 164 HE1 TRP 22 HE1 TRP 22 3.905 -7.276 -2.632 165 HE3 TRP 22 HE3 TRP 22 -1.353 -7.967 -3.332 166 HZ2 TRP 22 HZ2 TRP 22 3.243 -8.953 -4.962 167 HZ3 TRP 22 HZ3 TRP 22 -1.046 -9.481 -5.221 168 HH2 TRP 22 HH2 TRP 22 1.260 -9.907 -6.142 169 H LEU 23 H LEU 23 -1.547 -3.594 -1.518 170 HA LEU 23 HA LEU 23 -3.773 -3.508 0.148 171 1HB LEU 23 HB2 LEU 23 -3.489 -1.025 0.861 172 2HB LEU 23 HB3 LEU 23 -2.719 -2.278 1.796 173 HG LEU 23 HG LEU 23 -0.594 -1.737 0.198 174 1HD1 LEU 23 HD11 LEU 23 -0.447 0.543 -0.418 175 2HD1 LEU 23 HD12 LEU 23 -1.941 -0.072 -1.150 176 3HD1 LEU 23 HD13 LEU 23 -2.008 0.900 0.348 177 1HD2 LEU 23 HD21 LEU 23 -0.411 -1.588 2.529 178 2HD2 LEU 23 HD22 LEU 23 0.001 0.023 1.923 179 3HD2 LEU 23 HD23 LEU 23 -1.601 -0.264 2.633 180 H ILE 24 H ILE 24 -5.092 -1.399 -0.576 181 HA ILE 24 HA ILE 24 -4.825 -1.178 -3.529 182 HB ILE 24 HB ILE 24 -7.359 -1.627 -1.924 183 1HG1 ILE 24 HG12 ILE 24 -6.300 -3.406 -4.141 184 2HG1 ILE 24 HG13 ILE 24 -5.745 -3.652 -2.481 185 1HG2 ILE 24 HG21 ILE 24 -7.669 -0.083 -3.888 186 2HG2 ILE 24 HG22 ILE 24 -6.954 -1.317 -4.942 187 3HG2 ILE 24 HG23 ILE 24 -8.498 -1.617 -4.127 188 1HD1 ILE 24 HD11 ILE 24 -7.689 -5.092 -2.980 189 2HD1 ILE 24 HD12 ILE 24 -7.972 -3.984 -1.630 190 3HD1 ILE 24 HD13 ILE 24 -8.692 -3.652 -3.208 191 H LEU 25 H LEU 25 -4.603 0.916 -3.995 192 HA LEU 25 HA LEU 25 -5.881 3.059 -2.315 193 1HB LEU 25 HB2 LEU 25 -3.154 2.775 -3.589 194 2HB LEU 25 HB3 LEU 25 -3.892 4.367 -3.434 195 HG LEU 25 HG LEU 25 -3.483 4.626 -1.335 196 1HD1 LEU 25 HD11 LEU 25 -4.834 2.913 -0.493 197 2HD1 LEU 25 HD12 LEU 25 -3.663 1.657 -0.944 198 3HD1 LEU 25 HD13 LEU 25 -3.303 2.823 0.360 199 1HD2 LEU 25 HD21 LEU 25 -1.199 4.044 -0.897 200 2HD2 LEU 25 HD22 LEU 25 -1.328 2.497 -1.739 201 3HD2 LEU 25 HD23 LEU 25 -1.355 4.012 -2.650 202 H HIS 26 H HIS 26 -7.721 3.212 -3.526 203 HA HIS 26 HA HIS 26 -9.057 3.840 -5.266 204 1HB HIS 26 HB2 HIS 26 -6.614 5.048 -6.620 205 2HB HIS 26 HB3 HIS 26 -8.310 5.406 -6.924 206 HD1 HIS 26 HD1 HIS 26 -9.541 6.988 -5.095 207 HD2 HIS 26 HD2 HIS 26 -5.473 6.111 -4.453 208 HE1 HIS 26 HE1 HIS 26 -8.744 8.562 -3.271 209 H TYR 27 H TYR 27 -8.645 1.311 -5.373 210 HA TYR 27 HA TYR 27 -8.766 -0.519 -6.685 211 1HB TYR 27 HB2 TYR 27 -9.059 1.365 -9.045 212 2HB TYR 27 HB3 TYR 27 -9.688 -0.261 -8.895 213 HD1 TYR 27 HD1 TYR 27 -10.867 2.877 -9.174 214 HD2 TYR 27 HD2 TYR 27 -10.997 -0.285 -6.246 215 HE1 TYR 27 HE1 TYR 27 -13.017 3.750 -8.296 216 HE2 TYR 27 HE2 TYR 27 -13.175 0.516 -5.456 217 HH TYR 27 HH TYR 27 -14.789 2.143 -5.642 218 H LYS 28 H LYS 28 -6.072 0.808 -6.298 219 HA LYS 28 HA LYS 28 -4.601 -0.568 -8.482 220 1HB LYS 28 HB2 LYS 28 -4.186 2.215 -7.361 221 2HB LYS 28 HB3 LYS 28 -2.933 1.317 -8.241 222 1HG LYS 28 HG2 LYS 28 -4.437 1.069 -10.123 223 2HG LYS 28 HG3 LYS 28 -5.722 1.978 -9.308 224 1HD LYS 28 HD2 LYS 28 -4.430 3.995 -9.255 225 2HD LYS 28 HD3 LYS 28 -2.962 3.179 -9.785 226 1HE LYS 28 HE2 LYS 28 -5.503 3.646 -11.428 227 2HE LYS 28 HE3 LYS 28 -3.917 4.398 -11.671 228 1HZ LYS 28 HZ1 LYS 28 -3.330 1.795 -11.879 229 2HZ LYS 28 HZ2 LYS 28 -4.878 1.789 -12.403 230 3HZ LYS 28 HZ3 LYS 28 -3.800 2.698 -13.181 231 H VAL 29 H VAL 29 -3.082 -1.947 -7.781 232 HA VAL 29 HA VAL 29 -2.735 -2.196 -4.905 233 HB VAL 29 HB VAL 29 -1.734 -4.109 -7.018 234 1HG1 VAL 29 HG11 VAL 29 -1.817 -5.722 -5.198 235 2HG1 VAL 29 HG12 VAL 29 -0.966 -4.303 -4.563 236 3HG1 VAL 29 HG13 VAL 29 -2.657 -4.568 -4.145 237 1HG2 VAL 29 HG21 VAL 29 -4.082 -3.866 -7.462 238 2HG2 VAL 29 HG22 VAL 29 -3.819 -5.379 -6.597 239 3HG2 VAL 29 HG23 VAL 29 -4.478 -3.972 -5.731 240 H TYR 30 H TYR 30 -0.880 -1.885 -3.853 241 HA TYR 30 HA TYR 30 1.588 -1.045 -5.336 242 1HB TYR 30 HB2 TYR 30 0.202 0.160 -2.910 243 2HB TYR 30 HB3 TYR 30 1.812 0.601 -3.417 244 HD1 TYR 30 HD1 TYR 30 2.109 1.666 -5.752 245 HD2 TYR 30 HD2 TYR 30 -1.774 0.895 -4.087 246 HE1 TYR 30 HE1 TYR 30 1.054 3.204 -7.424 247 HE2 TYR 30 HE2 TYR 30 -2.777 2.498 -5.705 248 HH TYR 30 HH TYR 30 -0.806 4.654 -7.661 249 H ASP 31 H ASP 31 3.157 -2.519 -4.871 250 HA ASP 31 HA ASP 31 3.063 -4.043 -2.336 251 1HB ASP 31 HB2 ASP 31 3.860 -5.302 -4.243 252 2HB ASP 31 HB3 ASP 31 5.057 -4.042 -4.634 253 H LEU 32 H LEU 32 3.877 -3.116 -0.545 254 HA LEU 32 HA LEU 32 6.181 -1.258 -0.816 255 1HB LEU 32 HB2 LEU 32 4.158 -1.115 1.376 256 2HB LEU 32 HB3 LEU 32 5.316 0.103 0.954 257 HG LEU 32 HG LEU 32 2.967 -0.587 -0.862 258 1HD1 LEU 32 HD11 LEU 32 2.380 1.847 0.239 259 2HD1 LEU 32 HD12 LEU 32 1.775 0.285 0.771 260 3HD1 LEU 32 HD13 LEU 32 3.140 1.039 1.607 261 1HD2 LEU 32 HD21 LEU 32 4.671 1.923 -0.864 262 2HD2 LEU 32 HD22 LEU 32 5.123 0.499 -1.816 263 3HD2 LEU 32 HD23 LEU 32 3.591 1.283 -2.130 264 H THR 33 H THR 33 5.730 -4.302 -0.356 265 HA THR 33 HA THR 33 6.340 -5.005 2.285 266 HB THR 33 HB THR 33 7.140 -6.243 -0.367 267 HG1 THR 33 HG1 THR 33 5.048 -6.220 -0.284 268 1HG2 THR 33 HG21 THR 33 7.223 -8.392 0.949 269 2HG2 THR 33 HG22 THR 33 8.567 -7.272 1.246 270 3HG2 THR 33 HG23 THR 33 7.259 -7.394 2.417 271 H LYS 34 H LYS 34 8.480 -4.016 -0.366 272 HA LYS 34 HA LYS 34 10.851 -3.960 1.470 273 1HB LYS 34 HB2 LYS 34 10.481 -4.290 -1.502 274 2HB LYS 34 HB3 LYS 34 11.971 -3.536 -0.913 275 1HG LYS 34 HG2 LYS 34 12.595 -5.365 0.399 276 2HG LYS 34 HG3 LYS 34 10.999 -6.138 0.290 277 1HD LYS 34 HD2 LYS 34 11.309 -6.526 -2.116 278 2HD LYS 34 HD3 LYS 34 12.871 -5.675 -2.071 279 1HE LYS 34 HE2 LYS 34 13.668 -7.397 -0.367 280 2HE LYS 34 HE3 LYS 34 12.149 -8.276 -0.616 281 1HZ LYS 34 HZ1 LYS 34 13.920 -9.171 -1.940 282 2HZ LYS 34 HZ2 LYS 34 12.777 -8.529 -2.935 283 3HZ LYS 34 HZ3 LYS 34 14.190 -7.724 -2.671 284 H PHE 35 H PHE 35 8.610 -2.135 1.715 285 HA PHE 35 HA PHE 35 10.297 0.276 1.536 286 1HB PHE 35 HB2 PHE 35 8.263 -0.049 -0.239 287 2HB PHE 35 HB3 PHE 35 7.369 0.462 1.129 288 HD1 PHE 35 HD1 PHE 35 10.756 1.677 -0.076 289 HD2 PHE 35 HD2 PHE 35 6.596 2.641 0.608 290 HE1 PHE 35 HE1 PHE 35 11.234 4.046 -0.506 291 HE2 PHE 35 HE2 PHE 35 7.086 5.021 0.138 292 HZ PHE 35 HZ PHE 35 9.414 5.738 -0.390 293 H LEU 36 H LEU 36 9.030 -1.841 3.624 294 HA LEU 36 HA LEU 36 7.314 -0.263 5.257 295 1HB LEU 36 HB2 LEU 36 9.071 -2.671 5.913 296 2HB LEU 36 HB3 LEU 36 7.820 -2.036 6.986 297 HG LEU 36 HG LEU 36 7.245 -3.036 4.169 298 1HD1 LEU 36 HD11 LEU 36 6.336 -5.020 5.359 299 2HD1 LEU 36 HD12 LEU 36 8.099 -4.876 5.484 300 3HD1 LEU 36 HD13 LEU 36 7.062 -4.437 6.864 301 1HD2 LEU 36 HD21 LEU 36 5.423 -2.423 6.543 302 2HD2 LEU 36 HD22 LEU 36 5.518 -1.476 5.037 303 3HD2 LEU 36 HD23 LEU 36 4.935 -3.133 4.998 304 H GLU 37 H GLU 37 10.710 -1.195 5.885 305 HA GLU 37 HA GLU 37 11.022 0.650 8.037 306 1HB GLU 37 HB2 GLU 37 12.297 -1.563 7.354 307 2HB GLU 37 HB3 GLU 37 13.356 -0.456 6.469 308 1HG GLU 37 HG2 GLU 37 13.892 0.691 8.583 309 2HG GLU 37 HG3 GLU 37 12.659 -0.258 9.439 310 H GLU 38 H GLU 38 11.356 0.914 4.563 311 HA GLU 38 HA GLU 38 12.913 3.316 4.454 312 1HB GLU 38 HB2 GLU 38 11.002 2.131 2.446 313 2HB GLU 38 HB3 GLU 38 12.261 3.291 2.100 314 1HG GLU 38 HG2 GLU 38 13.557 1.067 3.411 315 2HG GLU 38 HG3 GLU 38 12.475 0.394 2.188 316 H HIS 39 HN HIS 39 9.382 2.628 4.418 317 HA HIS 39 HA HIS 39 8.608 5.202 3.614 318 1HB HIS 39 HB2 HIS 39 7.178 3.319 3.269 319 2HB HIS 39 HB3 HIS 39 7.079 3.013 5.008 320 HD1 HIS 39 HND HIS 39 5.695 4.822 6.445 321 HD2 HIS 39 HD HIS 39 5.381 5.078 2.262 322 HE1 HIS 39 HE HIS 39 3.714 6.290 5.977 323 HA PRO 40 HA PRO 40 9.675 7.335 7.287 324 1HB PRO 40 HB2 PRO 40 8.444 9.774 6.948 325 2HB PRO 40 HB3 PRO 40 9.853 9.219 6.000 326 1HG PRO 40 HG2 PRO 40 6.933 9.082 5.228 327 2HG PRO 40 HG3 PRO 40 8.303 9.665 4.235 328 1HD PRO 40 HD2 PRO 40 7.313 7.155 3.972 329 2HD PRO 40 HD3 PRO 40 9.074 7.457 3.847 330 H GLY 41 H GLY 41 6.207 7.147 6.564 331 1HA GLY 41 HA1 GLY 41 4.973 7.854 8.950 332 2HA GLY 41 HA2 GLY 41 4.463 6.510 7.960 333 H GLY 42 H GLY 42 7.191 5.101 8.462 334 1HA GLY 42 HA1 GLY 42 8.150 3.882 10.168 335 2HA GLY 42 HA2 GLY 42 6.886 4.355 11.308 336 H GLU 43 H GLU 43 8.084 1.742 9.847 337 HA GLU 43 HA GLU 43 6.003 0.260 8.741 338 1HB GLU 43 HB2 GLU 43 7.310 -1.683 9.570 339 2HB GLU 43 HB3 GLU 43 8.174 -0.512 8.574 340 1HG GLU 43 HG2 GLU 43 9.661 0.038 10.181 341 2HG GLU 43 HG3 GLU 43 8.445 0.101 11.459 342 H ALA 44 H ALA 44 4.130 0.589 9.718 343 HA ALA 44 HA ALA 44 3.267 -1.114 11.867 344 1HB ALA 44 HB1 ALA 44 4.043 1.725 12.553 345 2HB ALA 44 HB2 ALA 44 2.580 1.048 13.299 346 3HB ALA 44 HB3 ALA 44 4.139 0.248 13.534 347 H VAL 45 H VAL 45 2.445 2.259 10.857 348 HA VAL 45 HA VAL 45 -0.308 1.599 10.544 349 HB VAL 45 HB VAL 45 0.570 3.839 10.963 350 1HG1 VAL 45 HG11 VAL 45 1.115 4.298 8.053 351 2HG1 VAL 45 HG12 VAL 45 1.635 5.198 9.483 352 3HG1 VAL 45 HG13 VAL 45 2.409 3.660 9.103 353 1HG2 VAL 45 HG21 VAL 45 -1.392 3.351 8.731 354 2HG2 VAL 45 HG22 VAL 45 -1.675 3.844 10.403 355 3HG2 VAL 45 HG23 VAL 45 -1.000 5.002 9.243 356 H LEU 46 H LEU 46 2.450 1.551 8.169 357 HA LEU 46 HA LEU 46 0.750 0.945 5.940 358 1HB LEU 46 HB2 LEU 46 3.679 0.137 6.293 359 2HB LEU 46 HB3 LEU 46 2.763 0.319 4.799 360 HG LEU 46 HG LEU 46 3.970 2.257 4.808 361 1HD1 LEU 46 HD11 LEU 46 1.435 3.119 6.255 362 2HD1 LEU 46 HD12 LEU 46 2.478 4.113 5.264 363 3HD1 LEU 46 HD13 LEU 46 1.612 2.762 4.532 364 1HD2 LEU 46 HD21 LEU 46 4.139 1.941 7.718 365 2HD2 LEU 46 HD22 LEU 46 5.239 2.647 6.580 366 3HD2 LEU 46 HD23 LEU 46 3.899 3.624 7.221 367 H ARG 47 H ARG 47 2.463 -1.131 8.275 368 HA ARG 47 HA ARG 47 1.847 -3.538 6.812 369 1HB ARG 47 HB2 ARG 47 3.066 -4.645 8.359 370 2HB ARG 47 HB3 ARG 47 3.773 -3.004 8.480 371 1HG ARG 47 HG2 ARG 47 2.420 -2.598 10.481 372 2HG ARG 47 HG3 ARG 47 1.707 -4.202 10.362 373 1HD ARG 47 HD2 ARG 47 4.189 -5.070 10.488 374 2HD ARG 47 HD3 ARG 47 4.588 -3.427 10.968 375 HE ARG 47 HE ARG 47 3.756 -3.824 13.047 376 1HH1 ARG 47 HH11 ARG 47 1.556 -6.305 14.282 377 2HH1 ARG 47 HH12 ARG 47 2.510 -4.914 14.687 378 1HH2 ARG 47 HH21 ARG 47 1.544 -7.119 12.032 379 2HH2 ARG 47 HH22 ARG 47 2.424 -6.225 10.842 380 H ALA 48 H ALA 48 0.310 -1.678 9.379 381 HA ALA 48 HA ALA 48 -1.529 -3.713 10.162 382 1HB ALA 48 HB1 ALA 48 -1.515 -0.688 10.547 383 2HB ALA 48 HB2 ALA 48 -2.626 -1.805 11.375 384 3HB ALA 48 HB3 ALA 48 -0.875 -1.909 11.667 385 H GLN 49 H GLN 49 -1.827 -0.759 8.053 386 HA GLN 49 HA GLN 49 -4.542 -1.421 7.262 387 1HB GLN 49 HB2 GLN 49 -2.401 0.555 6.449 388 2HB GLN 49 HB3 GLN 49 -3.797 0.352 5.432 389 1HG GLN 49 HG2 GLN 49 -3.921 1.082 8.389 390 2HG GLN 49 HG3 GLN 49 -4.113 2.204 7.037 391 1HE2 GLN 49 HE21 GLN 49 -5.778 1.119 5.274 392 2HE2 GLN 49 HE22 GLN 49 -7.316 0.700 5.969 393 H ALA 50 H ALA 50 -1.459 -2.672 6.328 394 HA ALA 50 HA ALA 50 -1.828 -3.323 3.700 395 1HB ALA 50 HB1 ALA 50 -0.868 -5.342 5.774 396 2HB ALA 50 HB2 ALA 50 -0.416 -5.215 4.068 397 3HB ALA 50 HB3 ALA 50 0.119 -3.974 5.234 398 H GLY 51 H GLY 51 -2.848 -4.969 2.566 399 1HA GLY 51 HA1 GLY 51 -4.029 -7.110 2.605 400 2HA GLY 51 HA2 GLY 51 -5.072 -6.489 3.905 401 H GLY 52 H GLY 52 -5.151 -3.749 2.786 402 1HA GLY 52 HA1 GLY 52 -5.892 -2.962 0.433 403 2HA GLY 52 HA2 GLY 52 -7.148 -4.191 0.620 404 H ASP 53 H ASP 53 -8.235 -1.927 0.322 405 HA ASP 53 HA ASP 53 -9.483 -0.261 1.128 406 1HB ASP 53 HB2 ASP 53 -10.484 -2.346 2.229 407 2HB ASP 53 HB3 ASP 53 -9.667 -1.847 3.718 408 H ALA 54 H ALA 54 -7.000 0.486 1.099 409 HA ALA 54 HA ALA 54 -6.602 2.048 3.626 410 1HB ALA 54 HB1 ALA 54 -4.232 2.124 3.101 411 2HB ALA 54 HB2 ALA 54 -4.767 0.431 3.297 412 3HB ALA 54 HB3 ALA 54 -4.483 1.091 1.673 413 H THR 55 H THR 55 -7.675 2.284 0.444 414 HA THR 55 HA THR 55 -6.555 4.532 -0.592 415 HB THR 55 HB THR 55 -9.571 4.020 -0.463 416 HG1 THR 55 HG1 THR 55 -9.114 2.209 -1.405 417 1HG2 THR 55 HG21 THR 55 -7.698 5.206 -2.522 418 2HG2 THR 55 HG22 THR 55 -9.417 4.865 -2.824 419 3HG2 THR 55 HG23 THR 55 -8.944 6.093 -1.625 420 H ALA 56 H ALA 56 -9.196 4.495 1.833 421 HA ALA 56 HA ALA 56 -9.393 7.309 2.159 422 1HB ALA 56 HB1 ALA 56 -10.055 5.053 4.102 423 2HB ALA 56 HB2 ALA 56 -10.580 6.743 4.255 424 3HB ALA 56 HB3 ALA 56 -11.146 5.762 2.889 425 H ASN 57 H ASN 57 -7.298 4.897 3.719 426 HA ASN 57 HA ASN 57 -6.380 6.611 5.834 427 1HB ASN 57 HB2 ASN 57 -6.184 3.888 5.195 428 2HB ASN 57 HB3 ASN 57 -4.527 4.443 5.012 429 1HD2 ASN 57 HD21 ASN 57 -3.665 5.793 6.993 430 2HD2 ASN 57 HD22 ASN 57 -4.229 5.209 8.550 431 H PHE 58 H PHE 58 -4.990 5.556 2.732 432 HA PHE 58 HA PHE 58 -2.598 7.042 2.719 433 1HB PHE 58 HB2 PHE 58 -3.155 5.239 1.157 434 2HB PHE 58 HB3 PHE 58 -4.455 6.191 0.459 435 HD1 PHE 58 HD1 PHE 58 -0.774 6.467 1.135 436 HD2 PHE 58 HD2 PHE 58 -4.002 7.319 -1.580 437 HE1 PHE 58 HE1 PHE 58 0.856 7.341 -0.527 438 HE2 PHE 58 HE2 PHE 58 -2.378 8.117 -3.258 439 HZ PHE 58 HZ PHE 58 0.063 8.127 -2.739 440 H GLU 59 H GLU 59 -5.811 7.882 1.339 441 HA GLU 59 HA GLU 59 -5.133 10.516 0.512 442 1HB GLU 59 HB2 GLU 59 -7.746 9.144 1.170 443 2HB GLU 59 HB3 GLU 59 -7.662 10.779 0.498 444 1HG GLU 59 HG2 GLU 59 -6.088 8.645 -0.945 445 2HG GLU 59 HG3 GLU 59 -7.846 8.590 -1.045 446 H ALA 60 H ALA 60 -6.517 9.274 3.594 447 HA ALA 60 HA ALA 60 -7.106 11.743 4.794 448 1HB ALA 60 HB1 ALA 60 -6.177 9.124 6.048 449 2HB ALA 60 HB2 ALA 60 -6.789 10.518 6.959 450 3HB ALA 60 HB3 ALA 60 -7.841 9.680 5.805 451 H VAL 61 H VAL 61 -3.981 9.990 4.620 452 HA VAL 61 HA VAL 61 -2.487 11.974 6.105 453 HB VAL 61 HB VAL 61 -1.612 10.030 3.952 454 1HG1 VAL 61 HG11 VAL 61 0.061 11.561 5.969 455 2HG1 VAL 61 HG12 VAL 61 0.648 10.264 4.905 456 3HG1 VAL 61 HG13 VAL 61 0.090 11.770 4.205 457 1HG2 VAL 61 HG21 VAL 61 -2.206 8.520 5.524 458 2HG2 VAL 61 HG22 VAL 61 -0.717 9.010 6.317 459 3HG2 VAL 61 HG23 VAL 61 -2.243 9.717 6.839 460 H GLY 62 H GLY 62 -3.560 11.742 2.728 461 1HA GLY 62 HA1 GLY 62 -3.812 13.575 1.300 462 2HA GLY 62 HA2 GLY 62 -2.617 14.512 2.203 463 H HIS 63 HN HIS 63 -0.400 13.299 2.296 464 HA HIS 63 HA HIS 63 1.511 12.751 1.222 465 1HB HIS 63 HB2 HIS 63 -0.322 11.136 -0.622 466 2HB HIS 63 HB3 HIS 63 1.416 11.163 -0.713 467 HD1 HIS 63 HND HIS 63 -1.318 9.855 1.712 468 HD2 HIS 63 HD HIS 63 2.785 9.658 0.813 469 HE1 HIS 63 HE HIS 63 -0.348 8.008 3.158 470 H SER 64 H SER 64 2.881 13.360 -0.624 471 HA SER 64 HA SER 64 1.698 15.667 -2.112 472 1HB SER 64 HB2 SER 64 3.669 15.987 -0.578 473 2HB SER 64 HB3 SER 64 4.634 15.046 -1.733 474 HG SER 64 HG SER 64 4.590 17.399 -2.070 475 H THR 65 H THR 65 3.062 16.124 -4.198 476 HA THR 65 HA THR 65 2.204 14.319 -6.164 477 HB THR 65 HB THR 65 4.540 16.179 -6.580 478 HG1 THR 65 HG1 THR 65 3.196 17.891 -6.402 479 1HG2 THR 65 HG21 THR 65 3.280 16.653 -8.700 480 2HG2 THR 65 HG22 THR 65 3.728 14.944 -8.540 481 3HG2 THR 65 HG23 THR 65 2.059 15.461 -8.218 482 H ASP 66 H ASP 66 5.428 14.772 -4.707 483 HA ASP 66 HA ASP 66 6.924 12.953 -6.194 484 1HB ASP 66 HB2 ASP 66 7.518 14.583 -4.170 485 2HB ASP 66 HB3 ASP 66 7.266 13.152 -3.172 486 H ALA 67 H ALA 67 5.001 12.402 -3.277 487 HA ALA 67 HA ALA 67 5.367 9.571 -3.090 488 1HB ALA 67 HB1 ALA 67 4.467 10.923 -1.219 489 2HB ALA 67 HB2 ALA 67 3.002 11.222 -2.167 490 3HB ALA 67 HB3 ALA 67 3.390 9.574 -1.651 491 H ARG 68 H ARG 68 2.769 11.532 -4.641 492 HA ARG 68 HA ARG 68 1.155 9.380 -5.556 493 1HB ARG 68 HB2 ARG 68 1.609 12.172 -6.636 494 2HB ARG 68 HB3 ARG 68 0.396 11.083 -7.299 495 1HG ARG 68 HG2 ARG 68 -0.964 11.165 -5.428 496 2HG ARG 68 HG3 ARG 68 0.353 11.500 -4.317 497 1HD ARG 68 HD2 ARG 68 -0.071 13.639 -4.355 498 2HD ARG 68 HD3 ARG 68 0.059 13.766 -6.098 499 HE ARG 68 HE ARG 68 -2.339 13.541 -4.423 500 1HH1 ARG 68 HH11 ARG 68 -4.496 14.060 -7.168 501 2HH1 ARG 68 HH12 ARG 68 -4.371 13.999 -5.441 502 1HH2 ARG 68 HH21 ARG 68 -2.562 13.638 -8.499 503 2HH2 ARG 68 HH22 ARG 68 -1.082 13.222 -7.689 504 H GLU 69 H GLU 69 4.140 10.765 -6.875 505 HA GLU 69 HA GLU 69 3.982 9.293 -9.420 506 1HB GLU 69 HB2 GLU 69 5.715 11.300 -8.100 507 2HB GLU 69 HB3 GLU 69 6.504 10.281 -9.304 508 1HG GLU 69 HG2 GLU 69 3.848 11.574 -10.004 509 2HG GLU 69 HG3 GLU 69 5.314 12.558 -9.995 510 H LEU 70 H LEU 70 5.808 9.118 -6.358 511 HA LEU 70 HA LEU 70 7.437 6.962 -6.993 512 1HB LEU 70 HB2 LEU 70 7.686 8.428 -5.039 513 2HB LEU 70 HB3 LEU 70 6.226 7.728 -4.355 514 HG LEU 70 HG LEU 70 7.218 5.956 -3.478 515 1HD1 LEU 70 HD11 LEU 70 9.170 4.749 -4.498 516 2HD1 LEU 70 HD12 LEU 70 7.594 4.728 -5.280 517 3HD1 LEU 70 HD13 LEU 70 8.894 5.766 -5.935 518 1HD2 LEU 70 HD21 LEU 70 9.709 7.610 -3.991 519 2HD2 LEU 70 HD22 LEU 70 8.586 7.788 -2.619 520 3HD2 LEU 70 HD23 LEU 70 9.549 6.308 -2.795 521 H SER 71 H SER 71 4.346 6.919 -5.259 522 HA SER 71 HA SER 71 3.648 4.310 -5.058 523 1HB SER 71 HB2 SER 71 1.697 6.292 -6.304 524 2HB SER 71 HB3 SER 71 1.355 4.884 -5.284 525 HG SER 71 HG SER 71 2.594 7.302 -4.522 526 H LYS 72 H LYS 72 3.277 6.156 -8.170 527 HA LYS 72 HA LYS 72 2.355 3.944 -9.702 528 1HB LYS 72 HB2 LYS 72 3.760 6.551 -10.386 529 2HB LYS 72 HB3 LYS 72 3.441 5.358 -11.622 530 1HG LYS 72 HG2 LYS 72 1.069 5.783 -9.925 531 2HG LYS 72 HG3 LYS 72 1.671 7.312 -10.577 532 1HD LYS 72 HD2 LYS 72 1.601 6.526 -12.822 533 2HD LYS 72 HD3 LYS 72 1.317 4.842 -12.341 534 1HE LYS 72 HE2 LYS 72 -0.915 5.155 -11.858 535 2HE LYS 72 HE3 LYS 72 -0.695 6.839 -11.360 536 1HZ LYS 72 HZ1 LYS 72 -0.776 5.860 -14.133 537 2HZ LYS 72 HZ2 LYS 72 -1.873 6.828 -13.372 538 3HZ LYS 72 HZ3 LYS 72 -0.369 7.395 -13.700 539 H THR 73 H THR 73 5.690 4.994 -8.956 540 HA THR 73 HA THR 73 6.967 2.989 -10.589 541 HB THR 73 HB THR 73 7.791 5.103 -8.748 542 HG1 THR 73 HG1 THR 73 9.146 3.663 -10.762 543 1HG2 THR 73 HG21 THR 73 9.912 4.149 -8.030 544 2HG2 THR 73 HG22 THR 73 8.562 3.306 -7.258 545 3HG2 THR 73 HG23 THR 73 9.429 2.546 -8.618 546 H PHE 74 H PHE 74 5.412 2.870 -7.500 547 HA PHE 74 HA PHE 74 6.461 0.130 -6.940 548 1HB PHE 74 HB2 PHE 74 4.931 2.184 -5.322 549 2HB PHE 74 HB3 PHE 74 4.826 0.489 -4.883 550 HD1 PHE 74 HD1 PHE 74 7.190 -0.820 -4.934 551 HD2 PHE 74 HD2 PHE 74 6.406 3.264 -3.807 552 HE1 PHE 74 HE1 PHE 74 9.259 -0.800 -3.579 553 HE2 PHE 74 HE2 PHE 74 8.482 3.280 -2.459 554 HZ PHE 74 HZ PHE 74 9.891 1.238 -2.321 555 H ILE 75 H ILE 75 3.986 1.449 -8.796 556 HA ILE 75 HA ILE 75 1.784 -0.106 -7.963 557 HB ILE 75 HB ILE 75 2.082 1.802 -9.770 558 1HG1 ILE 75 HG12 ILE 75 -0.069 -0.287 -9.531 559 2HG1 ILE 75 HG13 ILE 75 0.096 1.298 -8.741 560 1HG2 ILE 75 HG21 ILE 75 3.254 0.315 -11.426 561 2HG2 ILE 75 HG22 ILE 75 1.755 -0.648 -11.532 562 3HG2 ILE 75 HG23 ILE 75 1.790 1.055 -12.049 563 1HD1 ILE 75 HD11 ILE 75 -0.032 2.400 -10.944 564 2HD1 ILE 75 HD12 ILE 75 -0.449 0.812 -11.666 565 3HD1 ILE 75 HD13 ILE 75 -1.516 1.536 -10.449 566 H ILE 76 H ILE 76 1.398 -2.285 -8.043 567 HA ILE 76 HA ILE 76 3.265 -3.978 -9.693 568 HB ILE 76 HB ILE 76 2.340 -5.830 -8.253 569 1HG1 ILE 76 HG12 ILE 76 1.588 -3.564 -6.350 570 2HG1 ILE 76 HG13 ILE 76 0.412 -4.367 -7.383 571 1HG2 ILE 76 HG21 ILE 76 4.026 -5.364 -6.527 572 2HG2 ILE 76 HG22 ILE 76 4.612 -4.808 -8.084 573 3HG2 ILE 76 HG23 ILE 76 3.985 -3.632 -6.915 574 1HD1 ILE 76 HD11 ILE 76 1.017 -5.170 -4.870 575 2HD1 ILE 76 HD12 ILE 76 0.407 -6.264 -6.139 576 3HD1 ILE 76 HD13 ILE 76 2.139 -6.187 -5.774 577 H GLY 77 H GLY 77 0.049 -2.736 -9.634 578 1HA GLY 77 HA1 GLY 77 -0.647 -3.542 -12.149 579 2HA GLY 77 HA2 GLY 77 -1.180 -4.896 -11.121 580 H GLU 78 H GLU 78 -3.340 -4.594 -11.097 581 HA GLU 78 HA GLU 78 -4.367 -2.159 -9.811 582 1HB GLU 78 HB2 GLU 78 -4.749 -2.919 -12.634 583 2HB GLU 78 HB3 GLU 78 -6.264 -2.654 -11.777 584 1HG GLU 78 HG2 GLU 78 -5.602 -0.463 -11.111 585 2HG GLU 78 HG3 GLU 78 -3.967 -0.677 -11.810 586 H LEU 79 H LEU 79 -6.685 -2.432 -9.342 587 HA LEU 79 HA LEU 79 -7.055 -4.787 -7.707 588 1HB LEU 79 HB2 LEU 79 -7.990 -2.602 -7.124 589 2HB LEU 79 HB3 LEU 79 -8.871 -2.564 -8.664 590 HG LEU 79 HG LEU 79 -10.070 -4.691 -7.847 591 1HD1 LEU 79 HD11 LEU 79 -9.914 -4.147 -5.041 592 2HD1 LEU 79 HD12 LEU 79 -9.421 -5.617 -5.883 593 3HD1 LEU 79 HD13 LEU 79 -8.257 -4.319 -5.614 594 1HD2 LEU 79 HD21 LEU 79 -11.808 -3.470 -7.243 595 2HD2 LEU 79 HD22 LEU 79 -10.906 -2.471 -6.088 596 3HD2 LEU 79 HD23 LEU 79 -10.832 -2.150 -7.836 597 H HIS 80 H HIS 80 -8.093 -6.667 -8.216 598 HA HIS 80 HA HIS 80 -8.545 -7.551 -10.791 599 1HB HIS 80 HB2 HIS 80 -8.388 -8.825 -8.653 600 2HB HIS 80 HB3 HIS 80 -10.119 -8.538 -8.410 601 HD1 HIS 80 HD1 HIS 80 -11.562 -10.407 -9.601 602 HD2 HIS 80 HD2 HIS 80 -7.543 -10.232 -10.814 603 HE1 HIS 80 HE1 HIS 80 -11.177 -12.409 -11.121 604 HA PRO 81 HA PRO 81 -12.268 -5.622 -12.074 605 1HB PRO 81 HB2 PRO 81 -12.962 -7.212 -14.217 606 2HB PRO 81 HB3 PRO 81 -11.723 -5.922 -14.219 607 1HG PRO 81 HG2 PRO 81 -11.329 -8.898 -13.997 608 2HG PRO 81 HG3 PRO 81 -10.316 -7.697 -14.854 609 1HD PRO 81 HD2 PRO 81 -9.746 -8.758 -12.397 610 2HD PRO 81 HD3 PRO 81 -9.176 -7.148 -12.928 611 H ASP 82 H ASP 82 -12.155 -8.568 -10.508 612 HA ASP 82 HA ASP 82 -15.110 -8.923 -10.487 613 1HB ASP 82 HB2 ASP 82 -13.201 -10.798 -11.029 614 2HB ASP 82 HB3 ASP 82 -13.319 -10.975 -9.250 615 H ASP 83 H ASP 83 -12.900 -7.179 -8.803 616 HA ASP 83 HA ASP 83 -13.838 -7.854 -6.063 617 1HB ASP 83 HB2 ASP 83 -11.534 -7.413 -6.160 618 2HB ASP 83 HB3 ASP 83 -11.755 -6.013 -7.227 619 H ARG 84 H ARG 84 -13.757 -5.104 -8.273 620 HA ARG 84 HA ARG 84 -15.041 -3.260 -6.698 621 1HB ARG 84 HB2 ARG 84 -15.441 -1.943 -8.673 622 2HB ARG 84 HB3 ARG 84 -13.824 -2.636 -8.719 623 1HG ARG 84 HG2 ARG 84 -16.081 -4.130 -10.107 624 2HG ARG 84 HG3 ARG 84 -15.547 -2.621 -10.816 625 1HD ARG 84 HD2 ARG 84 -13.805 -5.047 -10.211 626 2HD ARG 84 HD3 ARG 84 -14.435 -4.623 -11.783 627 HE ARG 84 HE ARG 84 -12.112 -3.536 -10.436 628 1HH1 ARG 84 HH11 ARG 84 -11.573 -0.983 -12.828 629 2HH1 ARG 84 HH12 ARG 84 -10.900 -1.840 -11.480 630 1HH2 ARG 84 HH21 ARG 84 -13.758 -1.559 -13.615 631 2HH2 ARG 84 HH22 ARG 84 -14.623 -2.807 -12.768 632 HHA HEM 201 HGM HEM 201 4.526 10.616 5.357 633 HHB HEM 201 HDM HEM 201 5.730 7.968 -0.416 634 HHC HEM 201 HAM HEM 201 0.881 3.837 0.517 635 HHD HEM 201 HBM HEM 201 -0.043 6.194 6.424 636 1HMA HEM 201 HM81 HEM 201 6.526 10.317 -0.296 637 2HMA HEM 201 HM82 HEM 201 7.476 11.098 0.966 638 3HMA HEM 201 HM83 HEM 201 7.758 9.396 0.589 639 1HAA HEM 201 HAA1 HEM 201 6.579 11.618 4.281 640 2HAA HEM 201 HAA2 HEM 201 6.698 12.200 2.633 641 1HBA HEM 201 HBA1 HEM 201 4.874 13.062 4.585 642 2HBA HEM 201 HBA2 HEM 201 3.882 12.140 3.450 643 1HMB HEM 201 HM11 HEM 201 4.710 6.902 -2.719 644 2HMB HEM 201 HM12 HEM 201 5.891 5.878 -1.858 645 3HMB HEM 201 HM13 HEM 201 4.633 5.137 -2.861 646 HAB HEM 201 HT2A HEM 201 2.480 3.007 -1.491 647 1HBB HEM 201 HV2C HEM 201 0.895 5.293 -2.537 648 2HBB HEM 201 HV2T HEM 201 0.841 3.465 -2.963 649 1HMC HEM 201 HM31 HEM 201 -1.911 2.746 2.866 650 2HMC HEM 201 HM32 HEM 201 -1.515 3.545 1.335 651 3HMC HEM 201 HM33 HEM 201 -0.453 2.276 1.965 652 HAC HEM 201 HT4A HEM 201 -2.141 5.065 5.629 653 1HBC HEM 201 HV4C HEM 201 -1.095 2.236 5.126 654 2HBC HEM 201 HV4T HEM 201 -1.960 2.882 6.644 655 1HMD HEM 201 HM51 HEM 201 0.040 7.444 8.201 656 2HMD HEM 201 HM52 HEM 201 1.645 7.417 8.963 657 3HMD HEM 201 HM53 HEM 201 0.749 8.926 8.813 658 1HAD HEM 201 HAD1 HEM 201 3.340 9.525 8.732 659 2HAD HEM 201 HAD2 HEM 201 4.103 10.576 7.561 660 1HBD HEM 201 HBD1 HEM 201 2.477 12.145 7.698 661 2HBD HEM 201 HBD2 HEM 201 1.191 10.969 7.960 Start of MODEL 2 1 1H ALA 3 H1 ALA 3 1.013 -4.829 -19.855 2 2H ALA 3 H2 ALA 3 2.230 -5.907 -19.608 3 3H ALA 3 H3 ALA 3 1.518 -5.799 -21.096 4 HA ALA 3 HA ALA 3 0.807 -7.747 -19.951 5 1HB ALA 3 HB1 ALA 3 -0.812 -6.776 -21.464 6 2HB ALA 3 HB2 ALA 3 -1.646 -7.384 -20.026 7 3HB ALA 3 HB3 ALA 3 -1.379 -5.637 -20.231 8 H VAL 4 H VAL 4 -1.380 -5.572 -18.174 9 HA VAL 4 HA VAL 4 0.107 -5.870 -15.681 10 HB VAL 4 HB VAL 4 -1.123 -3.818 -16.230 11 1HG1 VAL 4 HG11 VAL 4 -3.686 -5.440 -15.875 12 2HG1 VAL 4 HG12 VAL 4 -3.560 -3.690 -16.102 13 3HG1 VAL 4 HG13 VAL 4 -3.105 -4.779 -17.418 14 1HG2 VAL 4 HG21 VAL 4 -0.683 -4.477 -13.873 15 2HG2 VAL 4 HG22 VAL 4 -2.124 -3.460 -14.067 16 3HG2 VAL 4 HG23 VAL 4 -2.307 -5.199 -13.793 17 H LYS 5 H LYS 5 -0.524 -7.177 -13.937 18 HA LYS 5 HA LYS 5 -2.647 -9.219 -14.436 19 1HB LYS 5 HB2 LYS 5 -0.355 -10.163 -13.960 20 2HB LYS 5 HB3 LYS 5 -0.385 -9.299 -12.409 21 1HG LYS 5 HG2 LYS 5 -2.603 -10.515 -11.952 22 2HG LYS 5 HG3 LYS 5 -2.264 -11.520 -13.362 23 1HD LYS 5 HD2 LYS 5 -0.300 -12.441 -12.272 24 2HD LYS 5 HD3 LYS 5 -0.359 -11.195 -11.006 25 1HE LYS 5 HE2 LYS 5 -2.591 -12.057 -10.252 26 2HE LYS 5 HE3 LYS 5 -2.495 -13.342 -11.465 27 1HZ LYS 5 HZ1 LYS 5 -0.553 -14.175 -10.309 28 2HZ LYS 5 HZ2 LYS 5 -0.648 -12.960 -9.198 29 3HZ LYS 5 HZ3 LYS 5 -1.842 -14.082 -9.293 30 H TYR 6 H TYR 6 -4.421 -9.030 -13.107 31 HA TYR 6 HA TYR 6 -4.475 -6.876 -11.091 32 1HB TYR 6 HB2 TYR 6 -6.718 -8.648 -12.104 33 2HB TYR 6 HB3 TYR 6 -6.805 -7.216 -11.070 34 HD1 TYR 6 HD1 TYR 6 -6.060 -8.374 -14.545 35 HD2 TYR 6 HD2 TYR 6 -7.018 -5.042 -11.990 36 HE1 TYR 6 HE1 TYR 6 -6.342 -6.937 -16.532 37 HE2 TYR 6 HE2 TYR 6 -7.231 -3.577 -13.990 38 HH TYR 6 HH TYR 6 -6.817 -4.820 -17.312 39 H TYR 7 H TYR 7 -5.416 -7.414 -8.929 40 HA TYR 7 HA TYR 7 -4.933 -10.246 -8.088 41 1HB TYR 7 HB2 TYR 7 -4.194 -7.802 -6.477 42 2HB TYR 7 HB3 TYR 7 -3.810 -9.481 -6.136 43 HD1 TYR 7 HD1 TYR 7 -2.896 -6.436 -7.935 44 HD2 TYR 7 HD2 TYR 7 -2.052 -10.647 -7.590 45 HE1 TYR 7 HE1 TYR 7 -0.799 -6.111 -9.158 46 HE2 TYR 7 HE2 TYR 7 0.086 -10.301 -8.828 47 HH TYR 7 HH TYR 7 0.992 -7.124 -10.207 48 H THR 8 H THR 8 -6.383 -11.026 -6.555 49 HA THR 8 HA THR 8 -8.940 -9.630 -6.398 50 HB THR 8 HB THR 8 -9.701 -11.666 -5.321 51 HG1 THR 8 HG1 THR 8 -7.623 -13.247 -5.204 52 1HG2 THR 8 HG21 THR 8 -9.360 -11.808 -7.792 53 2HG2 THR 8 HG22 THR 8 -7.738 -12.486 -7.520 54 3HG2 THR 8 HG23 THR 8 -9.172 -13.367 -6.972 55 H LEU 9 H LEU 9 -9.988 -9.114 -4.336 56 HA LEU 9 HA LEU 9 -8.454 -7.803 -2.419 57 1HB LEU 9 HB2 LEU 9 -11.138 -8.217 -2.853 58 2HB LEU 9 HB3 LEU 9 -10.925 -9.176 -1.415 59 HG LEU 9 HG LEU 9 -10.353 -6.204 -1.791 60 1HD1 LEU 9 HD11 LEU 9 -12.078 -5.918 -0.073 61 2HD1 LEU 9 HD12 LEU 9 -12.730 -6.898 -1.392 62 3HD1 LEU 9 HD13 LEU 9 -12.228 -7.679 0.116 63 1HD2 LEU 9 HD21 LEU 9 -8.575 -7.037 -0.300 64 2HD2 LEU 9 HD22 LEU 9 -9.772 -6.152 0.644 65 3HD2 LEU 9 HD23 LEU 9 -9.786 -7.927 0.657 66 H GLU 10 H GLU 10 -9.608 -11.151 -2.500 67 HA GLU 10 HA GLU 10 -8.682 -12.180 -0.086 68 1HB GLU 10 HB2 GLU 10 -10.111 -13.345 -1.673 69 2HB GLU 10 HB3 GLU 10 -8.809 -13.485 -2.831 70 1HG GLU 10 HG2 GLU 10 -9.241 -15.583 -1.565 71 2HG GLU 10 HG3 GLU 10 -7.589 -14.997 -1.448 72 H GLU 11 H GLU 11 -6.960 -12.498 -3.219 73 HA GLU 11 HA GLU 11 -4.531 -13.441 -2.211 74 1HB GLU 11 HB2 GLU 11 -5.394 -12.006 -4.705 75 2HB GLU 11 HB3 GLU 11 -3.688 -12.020 -4.336 76 1HG GLU 11 HG2 GLU 11 -4.268 -13.908 -5.790 77 2HG GLU 11 HG3 GLU 11 -3.615 -14.452 -4.242 78 H ILE 12 H ILE 12 -5.474 -9.991 -2.751 79 HA ILE 12 HA ILE 12 -2.973 -8.957 -1.861 80 HB ILE 12 HB ILE 12 -5.695 -7.626 -1.757 81 1HG1 ILE 12 HG12 ILE 12 -3.620 -7.219 -3.949 82 2HG1 ILE 12 HG13 ILE 12 -4.751 -8.541 -4.084 83 1HG2 ILE 12 HG21 ILE 12 -2.901 -6.399 -1.912 84 2HG2 ILE 12 HG22 ILE 12 -4.424 -5.507 -1.828 85 3HG2 ILE 12 HG23 ILE 12 -3.874 -6.444 -0.442 86 1HD1 ILE 12 HD11 ILE 12 -6.654 -6.947 -3.821 87 2HD1 ILE 12 HD12 ILE 12 -5.478 -5.610 -3.849 88 3HD1 ILE 12 HD13 ILE 12 -5.683 -6.651 -5.259 89 H GLN 13 H GLN 13 -5.991 -9.697 0.000 90 HA GLN 13 HA GLN 13 -5.252 -8.598 2.442 91 1HB GLN 13 HB2 GLN 13 -7.099 -10.795 1.554 92 2HB GLN 13 HB3 GLN 13 -6.717 -10.680 3.255 93 1HG GLN 13 HG2 GLN 13 -7.671 -8.306 1.627 94 2HG GLN 13 HG3 GLN 13 -8.774 -9.413 2.469 95 1HE2 GLN 13 HE21 GLN 13 -9.275 -7.073 3.385 96 2HE2 GLN 13 HE22 GLN 13 -8.418 -6.707 4.874 97 H LYS 14 H LYS 14 -4.389 -11.814 1.162 98 HA LYS 14 HA LYS 14 -3.169 -12.776 3.531 99 1HB LYS 14 HB2 LYS 14 -2.252 -13.306 0.689 100 2HB LYS 14 HB3 LYS 14 -1.934 -14.309 2.110 101 1HG LYS 14 HG2 LYS 14 -4.366 -14.820 2.304 102 2HG LYS 14 HG3 LYS 14 -4.690 -13.741 0.957 103 1HD LYS 14 HD2 LYS 14 -3.039 -15.185 -0.412 104 2HD LYS 14 HD3 LYS 14 -3.269 -16.408 0.862 105 1HE LYS 14 HE2 LYS 14 -5.713 -16.401 0.443 106 2HE LYS 14 HE3 LYS 14 -5.537 -15.006 -0.634 107 1HZ LYS 14 HZ1 LYS 14 -5.013 -17.769 -1.240 108 2HZ LYS 14 HZ2 LYS 14 -5.607 -16.524 -2.171 109 3HZ LYS 14 HZ3 LYS 14 -4.040 -16.620 -1.943 110 H HIS 15 H HIS 15 -2.043 -10.373 1.239 111 HA HIS 15 HA HIS 15 0.763 -10.439 2.194 112 1HB HIS 15 HB2 HIS 15 -0.603 -8.846 -0.001 113 2HB HIS 15 HB3 HIS 15 1.065 -8.629 0.504 114 HD1 HIS 15 HD1 HIS 15 2.375 -9.516 -1.514 115 HD2 HIS 15 HD2 HIS 15 -0.822 -11.984 -0.364 116 HE1 HIS 15 HE1 HIS 15 2.502 -11.607 -2.967 117 H ASN 16 H ASN 16 -0.382 -10.028 4.295 118 HA ASN 16 HA ASN 16 -0.137 -7.099 4.882 119 1HB ASN 16 HB2 ASN 16 -1.924 -7.100 6.434 120 2HB ASN 16 HB3 ASN 16 -2.564 -7.845 4.968 121 1HD2 ASN 16 HD21 ASN 16 -2.509 -10.286 4.948 122 2HD2 ASN 16 HD22 ASN 16 -2.711 -11.179 6.423 123 H ASN 17 H ASN 17 0.109 -10.414 6.159 124 HA ASN 17 HA ASN 17 1.268 -9.362 8.672 125 1HB ASN 17 HB2 ASN 17 -0.705 -10.660 8.958 126 2HB ASN 17 HB3 ASN 17 -0.061 -11.973 7.958 127 1HD2 ASN 17 HD21 ASN 17 0.228 -13.668 9.418 128 2HD2 ASN 17 HD22 ASN 17 1.146 -13.511 10.905 129 H SER 18 H SER 18 1.768 -12.132 6.403 130 HA SER 18 HA SER 18 3.792 -13.398 7.566 131 1HB SER 18 HB2 SER 18 3.647 -12.976 4.553 132 2HB SER 18 HB3 SER 18 4.041 -14.460 5.450 133 HG SER 18 HG SER 18 1.822 -14.335 4.643 134 H LYS 19 H LYS 19 4.193 -10.769 5.209 135 HA LYS 19 HA LYS 19 6.273 -9.384 6.351 136 1HB LYS 19 HB2 LYS 19 7.234 -11.768 4.833 137 2HB LYS 19 HB3 LYS 19 7.763 -10.254 4.120 138 1HG LYS 19 HG2 LYS 19 8.579 -9.513 6.392 139 2HG LYS 19 HG3 LYS 19 8.222 -11.152 6.976 140 1HD LYS 19 HD2 LYS 19 9.762 -12.031 5.120 141 2HD LYS 19 HD3 LYS 19 10.115 -10.352 4.704 142 1HE LYS 19 HE2 LYS 19 11.932 -11.138 6.061 143 2HE LYS 19 HE3 LYS 19 11.013 -9.965 7.012 144 1HZ LYS 19 HZ1 LYS 19 9.947 -11.828 8.126 145 2HZ LYS 19 HZ2 LYS 19 10.812 -12.903 7.231 146 3HZ LYS 19 HZ3 LYS 19 11.580 -11.909 8.290 147 H SER 20 H SER 20 5.086 -10.769 3.302 148 HA SER 20 HA SER 20 5.374 -8.703 1.461 149 1HB SER 20 HB2 SER 20 3.088 -10.050 0.807 150 2HB SER 20 HB3 SER 20 4.729 -10.599 0.431 151 HG SER 20 HG SER 20 3.351 -12.163 1.538 152 H THR 21 H THR 21 4.707 -6.653 1.950 153 HA THR 21 HA THR 21 2.023 -6.242 3.208 154 HB THR 21 HB THR 21 4.299 -4.253 2.973 155 HG1 THR 21 HG1 THR 21 4.789 -6.263 4.236 156 1HG2 THR 21 HG21 THR 21 3.075 -3.116 4.735 157 2HG2 THR 21 HG22 THR 21 1.908 -3.501 3.468 158 3HG2 THR 21 HG23 THR 21 2.033 -4.537 4.930 159 H TRP 22 H TRP 22 0.597 -6.277 1.471 160 HA TRP 22 HA TRP 22 0.999 -4.284 -0.697 161 1HB TRP 22 HB2 TRP 22 -0.750 -6.763 -0.573 162 2HB TRP 22 HB3 TRP 22 -0.751 -5.573 -1.855 163 HD1 TRP 22 HD1 TRP 22 2.771 -6.173 -1.074 164 HE1 TRP 22 HE1 TRP 22 3.852 -7.524 -2.881 165 HE3 TRP 22 HE3 TRP 22 -1.471 -7.950 -3.307 166 HZ2 TRP 22 HZ2 TRP 22 2.990 -9.294 -5.052 167 HZ3 TRP 22 HZ3 TRP 22 -1.311 -9.537 -5.191 168 HH2 TRP 22 HH2 TRP 22 0.913 -10.188 -6.105 169 H LEU 23 H LEU 23 -1.190 -3.316 -1.390 170 HA LEU 23 HA LEU 23 -3.456 -3.453 0.300 171 1HB LEU 23 HB2 LEU 23 -3.341 -0.995 1.076 172 2HB LEU 23 HB3 LEU 23 -2.471 -2.222 1.950 173 HG LEU 23 HG LEU 23 -0.371 -1.534 0.546 174 1HD1 LEU 23 HD11 LEU 23 -0.380 0.754 -0.266 175 2HD1 LEU 23 HD12 LEU 23 -1.709 -0.086 -1.080 176 3HD1 LEU 23 HD13 LEU 23 -2.033 0.971 0.316 177 1HD2 LEU 23 HD21 LEU 23 -0.557 -1.089 2.919 178 2HD2 LEU 23 HD22 LEU 23 0.073 0.338 2.070 179 3HD2 LEU 23 HD23 LEU 23 -1.629 0.297 2.605 180 H ILE 24 H ILE 24 -5.030 -1.637 -0.309 181 HA ILE 24 HA ILE 24 -4.896 -1.224 -3.266 182 HB ILE 24 HB ILE 24 -7.262 -1.819 -1.473 183 1HG1 ILE 24 HG12 ILE 24 -6.483 -3.279 -4.012 184 2HG1 ILE 24 HG13 ILE 24 -5.652 -3.666 -2.508 185 1HG2 ILE 24 HG21 ILE 24 -8.008 -0.127 -3.081 186 2HG2 ILE 24 HG22 ILE 24 -7.157 -0.955 -4.401 187 3HG2 ILE 24 HG23 ILE 24 -8.586 -1.685 -3.653 188 1HD1 ILE 24 HD11 ILE 24 -7.688 -4.275 -1.369 189 2HD1 ILE 24 HD12 ILE 24 -8.697 -3.697 -2.695 190 3HD1 ILE 24 HD13 ILE 24 -7.677 -5.125 -2.915 191 H LEU 25 H LEU 25 -4.594 0.841 -3.748 192 HA LEU 25 HA LEU 25 -5.996 3.005 -2.218 193 1HB LEU 25 HB2 LEU 25 -3.285 2.938 -3.522 194 2HB LEU 25 HB3 LEU 25 -4.197 4.415 -3.293 195 HG LEU 25 HG LEU 25 -3.796 4.668 -1.195 196 1HD1 LEU 25 HD11 LEU 25 -3.384 2.876 0.461 197 2HD1 LEU 25 HD12 LEU 25 -4.946 2.812 -0.368 198 3HD1 LEU 25 HD13 LEU 25 -3.657 1.697 -0.861 199 1HD2 LEU 25 HD21 LEU 25 -1.495 2.783 -1.887 200 2HD2 LEU 25 HD22 LEU 25 -1.603 4.511 -2.302 201 3HD2 LEU 25 HD23 LEU 25 -1.484 4.003 -0.606 202 H HIS 26 H HIS 26 -7.730 3.468 -3.380 203 HA HIS 26 HA HIS 26 -9.071 4.041 -5.102 204 1HB HIS 26 HB2 HIS 26 -6.542 4.995 -6.476 205 2HB HIS 26 HB3 HIS 26 -8.194 5.515 -6.811 206 HD1 HIS 26 HD1 HIS 26 -9.326 7.158 -4.893 207 HD2 HIS 26 HD2 HIS 26 -5.294 6.079 -4.429 208 HE1 HIS 26 HE1 HIS 26 -8.351 8.731 -3.133 209 H TYR 27 H TYR 27 -8.616 1.412 -5.083 210 HA TYR 27 HA TYR 27 -8.898 -0.474 -6.238 211 1HB TYR 27 HB2 TYR 27 -9.246 1.180 -8.760 212 2HB TYR 27 HB3 TYR 27 -9.736 -0.477 -8.462 213 HD1 TYR 27 HD1 TYR 27 -10.559 3.079 -7.736 214 HD2 TYR 27 HD2 TYR 27 -11.772 -1.030 -7.322 215 HE1 TYR 27 HE1 TYR 27 -12.752 3.811 -6.873 216 HE2 TYR 27 HE2 TYR 27 -13.993 -0.298 -6.526 217 HH TYR 27 HH TYR 27 -14.820 3.148 -6.071 218 H LYS 28 H LYS 28 -6.096 1.203 -6.414 219 HA LYS 28 HA LYS 28 -4.831 -0.649 -8.375 220 1HB LYS 28 HB2 LYS 28 -3.890 2.061 -7.431 221 2HB LYS 28 HB3 LYS 28 -3.106 1.004 -8.621 222 1HG LYS 28 HG2 LYS 28 -5.233 1.144 -9.988 223 2HG LYS 28 HG3 LYS 28 -5.855 2.300 -8.806 224 1HD LYS 28 HD2 LYS 28 -3.865 3.768 -9.233 225 2HD LYS 28 HD3 LYS 28 -3.436 2.723 -10.599 226 1HE LYS 28 HE2 LYS 28 -6.133 4.133 -10.254 227 2HE LYS 28 HE3 LYS 28 -4.799 4.789 -11.211 228 1HZ LYS 28 HZ1 LYS 28 -6.498 3.513 -12.500 229 2HZ LYS 28 HZ2 LYS 28 -4.962 2.955 -12.701 230 3HZ LYS 28 HZ3 LYS 28 -5.959 2.124 -11.798 231 H VAL 29 H VAL 29 -3.126 -1.950 -7.666 232 HA VAL 29 HA VAL 29 -2.898 -2.152 -4.744 233 HB VAL 29 HB VAL 29 -1.920 -4.188 -6.737 234 1HG1 VAL 29 HG11 VAL 29 -2.115 -5.694 -4.849 235 2HG1 VAL 29 HG12 VAL 29 -1.216 -4.286 -4.265 236 3HG1 VAL 29 HG13 VAL 29 -2.928 -4.460 -3.864 237 1HG2 VAL 29 HG21 VAL 29 -4.253 -3.895 -7.255 238 2HG2 VAL 29 HG22 VAL 29 -4.075 -5.365 -6.297 239 3HG2 VAL 29 HG23 VAL 29 -4.698 -3.885 -5.535 240 H TYR 30 H TYR 30 -1.037 -1.865 -3.678 241 HA TYR 30 HA TYR 30 1.459 -1.174 -5.198 242 1HB TYR 30 HB2 TYR 30 0.235 0.019 -2.679 243 2HB TYR 30 HB3 TYR 30 1.834 0.418 -3.286 244 HD1 TYR 30 HD1 TYR 30 -1.798 0.843 -3.787 245 HD2 TYR 30 HD2 TYR 30 2.065 1.489 -5.539 246 HE1 TYR 30 HE1 TYR 30 -2.820 2.280 -5.530 247 HE2 TYR 30 HE2 TYR 30 1.029 2.932 -7.276 248 HH TYR 30 HH TYR 30 -0.878 3.861 -8.072 249 H ASP 31 H ASP 31 3.151 -2.492 -4.688 250 HA ASP 31 HA ASP 31 3.146 -3.980 -2.088 251 1HB ASP 31 HB2 ASP 31 3.694 -5.339 -4.094 252 2HB ASP 31 HB3 ASP 31 5.045 -4.251 -4.453 253 H LEU 32 H LEU 32 4.145 -2.865 -0.488 254 HA LEU 32 HA LEU 32 6.420 -1.078 -1.195 255 1HB LEU 32 HB2 LEU 32 4.495 -0.612 1.055 256 2HB LEU 32 HB3 LEU 32 5.701 0.496 0.492 257 HG LEU 32 HG LEU 32 3.859 -0.144 -1.719 258 1HD1 LEU 32 HD11 LEU 32 2.629 1.234 0.669 259 2HD1 LEU 32 HD12 LEU 32 1.869 0.800 -0.886 260 3HD1 LEU 32 HD13 LEU 32 2.322 -0.467 0.247 261 1HD2 LEU 32 HD21 LEU 32 5.573 1.636 -1.569 262 2HD2 LEU 32 HD22 LEU 32 3.966 2.168 -2.072 263 3HD2 LEU 32 HD23 LEU 32 4.537 2.482 -0.405 264 H THR 33 H THR 33 6.182 -3.955 -0.426 265 HA THR 33 HA THR 33 6.574 -4.269 2.338 266 HB THR 33 HB THR 33 5.933 -5.920 0.383 267 HG1 THR 33 HG1 THR 33 7.294 -6.569 2.755 268 1HG2 THR 33 HG21 THR 33 7.617 -7.525 -0.203 269 2HG2 THR 33 HG22 THR 33 8.147 -5.931 -0.753 270 3HG2 THR 33 HG23 THR 33 8.871 -6.661 0.706 271 H LYS 34 H LYS 34 8.879 -3.628 -0.236 272 HA LYS 34 HA LYS 34 11.253 -3.955 1.438 273 1HB LYS 34 HB2 LYS 34 10.643 -3.108 -1.355 274 2HB LYS 34 HB3 LYS 34 12.081 -2.390 -0.637 275 1HG LYS 34 HG2 LYS 34 11.589 -5.382 -0.472 276 2HG LYS 34 HG3 LYS 34 12.316 -4.613 -1.891 277 1HD LYS 34 HD2 LYS 34 14.120 -3.627 -0.505 278 2HD LYS 34 HD3 LYS 34 13.396 -4.281 0.954 279 1HE LYS 34 HE2 LYS 34 15.260 -5.671 0.353 280 2HE LYS 34 HE3 LYS 34 13.769 -6.601 0.152 281 1HZ LYS 34 HZ1 LYS 34 13.914 -6.194 -2.213 282 2HZ LYS 34 HZ2 LYS 34 15.274 -5.284 -2.021 283 3HZ LYS 34 HZ3 LYS 34 15.303 -6.891 -1.678 284 H PHE 35 H PHE 35 8.803 -1.527 1.064 285 HA PHE 35 HA PHE 35 10.628 0.759 1.525 286 1HB PHE 35 HB2 PHE 35 8.657 0.521 -0.278 287 2HB PHE 35 HB3 PHE 35 7.675 0.848 1.094 288 HD1 PHE 35 HD1 PHE 35 10.877 2.299 -0.258 289 HD2 PHE 35 HD2 PHE 35 6.899 3.058 1.230 290 HE1 PHE 35 HE1 PHE 35 11.304 4.717 -0.370 291 HE2 PHE 35 HE2 PHE 35 7.304 5.493 1.037 292 HZ PHE 35 HZ PHE 35 9.526 6.335 0.298 293 H LEU 36 H LEU 36 9.114 -1.470 3.493 294 HA LEU 36 HA LEU 36 7.483 0.021 5.205 295 1HB LEU 36 HB2 LEU 36 9.331 -2.352 5.697 296 2HB LEU 36 HB3 LEU 36 8.199 -1.767 6.914 297 HG LEU 36 HG LEU 36 7.368 -2.670 4.116 298 1HD1 LEU 36 HD11 LEU 36 7.230 -4.123 6.802 299 2HD1 LEU 36 HD12 LEU 36 6.604 -4.727 5.257 300 3HD1 LEU 36 HD13 LEU 36 8.353 -4.506 5.472 301 1HD2 LEU 36 HD21 LEU 36 5.822 -1.939 6.658 302 2HD2 LEU 36 HD22 LEU 36 5.657 -1.209 5.042 303 3HD2 LEU 36 HD23 LEU 36 5.130 -2.870 5.324 304 H GLU 37 H GLU 37 10.930 -0.738 5.736 305 HA GLU 37 HA GLU 37 11.212 0.961 8.004 306 1HB GLU 37 HB2 GLU 37 12.591 -1.043 7.258 307 2HB GLU 37 HB3 GLU 37 13.432 0.047 6.150 308 1HG GLU 37 HG2 GLU 37 13.217 0.519 9.168 309 2HG GLU 37 HG3 GLU 37 14.486 -0.473 8.445 310 H GLU 38 H GLU 38 11.655 1.460 4.528 311 HA GLU 38 HA GLU 38 12.958 3.966 4.531 312 1HB GLU 38 HB2 GLU 38 11.032 2.740 2.535 313 2HB GLU 38 HB3 GLU 38 12.103 4.069 2.199 314 1HG GLU 38 HG2 GLU 38 14.046 2.550 2.833 315 2HG GLU 38 HG3 GLU 38 12.909 1.194 2.791 316 H HIS 39 HN HIS 39 9.546 3.065 4.511 317 HA HIS 39 HA HIS 39 8.409 5.489 3.822 318 1HB HIS 39 HB2 HIS 39 7.181 3.412 3.822 319 2HB HIS 39 HB3 HIS 39 7.263 3.306 5.583 320 HD1 HIS 39 HND HIS 39 4.990 3.996 6.627 321 HD2 HIS 39 HD HIS 39 5.880 5.891 2.972 322 HE1 HIS 39 HE HIS 39 2.979 5.429 6.039 323 HA PRO 40 HA PRO 40 9.573 7.631 7.662 324 1HB PRO 40 HB2 PRO 40 8.777 10.176 7.061 325 2HB PRO 40 HB3 PRO 40 10.229 9.412 6.351 326 1HG PRO 40 HG2 PRO 40 7.462 9.578 5.139 327 2HG PRO 40 HG3 PRO 40 9.014 10.022 4.366 328 1HD PRO 40 HD2 PRO 40 7.856 7.617 3.948 329 2HD PRO 40 HD3 PRO 40 9.633 7.736 4.124 330 H GLY 41 H GLY 41 6.352 7.547 6.196 331 1HA GLY 41 HA1 GLY 41 4.856 8.435 8.485 332 2HA GLY 41 HA2 GLY 41 4.283 7.430 7.147 333 H GLY 42 H GLY 42 6.835 5.641 8.124 334 1HA GLY 42 HA1 GLY 42 7.267 4.327 9.982 335 2HA GLY 42 HA2 GLY 42 5.597 4.449 10.545 336 H GLU 43 H GLU 43 7.473 2.128 9.848 337 HA GLU 43 HA GLU 43 6.281 0.608 7.766 338 1HB GLU 43 HB2 GLU 43 7.231 -1.325 8.938 339 2HB GLU 43 HB3 GLU 43 8.415 -0.029 8.733 340 1HG GLU 43 HG2 GLU 43 8.178 0.592 11.121 341 2HG GLU 43 HG3 GLU 43 6.991 -0.716 11.345 342 H ALA 44 H ALA 44 5.623 0.839 11.249 343 HA ALA 44 HA ALA 44 3.708 -1.146 11.496 344 1HB ALA 44 HB1 ALA 44 3.856 1.488 13.030 345 2HB ALA 44 HB2 ALA 44 2.984 0.028 13.544 346 3HB ALA 44 HB3 ALA 44 4.753 -0.001 13.403 347 H VAL 45 H VAL 45 3.163 2.304 10.759 348 HA VAL 45 HA VAL 45 0.339 2.264 10.587 349 HB VAL 45 HB VAL 45 2.466 3.973 9.231 350 1HG1 VAL 45 HG11 VAL 45 -0.543 4.416 9.337 351 2HG1 VAL 45 HG12 VAL 45 0.656 5.638 8.870 352 3HG1 VAL 45 HG13 VAL 45 0.461 4.186 7.881 353 1HG2 VAL 45 HG21 VAL 45 1.801 5.621 10.969 354 2HG2 VAL 45 HG22 VAL 45 0.649 4.452 11.640 355 3HG2 VAL 45 HG23 VAL 45 2.394 4.131 11.711 356 H LEU 46 H LEU 46 2.798 1.870 7.959 357 HA LEU 46 HA LEU 46 0.915 1.274 5.923 358 1HB LEU 46 HB2 LEU 46 3.849 0.768 6.362 359 2HB LEU 46 HB3 LEU 46 3.060 -0.249 5.161 360 HG LEU 46 HG LEU 46 2.938 2.782 5.094 361 1HD1 LEU 46 HD11 LEU 46 4.627 2.592 3.294 362 2HD1 LEU 46 HD12 LEU 46 5.264 1.892 4.798 363 3HD1 LEU 46 HD13 LEU 46 4.681 0.831 3.504 364 1HD2 LEU 46 HD21 LEU 46 2.224 0.624 3.057 365 2HD2 LEU 46 HD22 LEU 46 1.079 1.734 3.838 366 3HD2 LEU 46 HD23 LEU 46 2.282 2.365 2.716 367 H ARG 47 H ARG 47 2.507 -0.870 8.291 368 HA ARG 47 HA ARG 47 1.720 -3.270 7.014 369 1HB ARG 47 HB2 ARG 47 3.535 -2.889 8.823 370 2HB ARG 47 HB3 ARG 47 2.226 -3.037 9.989 371 1HG ARG 47 HG2 ARG 47 2.424 -5.275 9.843 372 2HG ARG 47 HG3 ARG 47 1.758 -5.192 8.224 373 1HD ARG 47 HD2 ARG 47 3.696 -6.036 7.426 374 2HD ARG 47 HD3 ARG 47 4.470 -4.528 7.795 375 HE ARG 47 HE ARG 47 5.485 -5.438 9.664 376 1HH1 ARG 47 HH11 ARG 47 5.132 -8.708 10.998 377 2HH1 ARG 47 HH12 ARG 47 6.066 -7.242 11.053 378 1HH2 ARG 47 HH21 ARG 47 3.481 -8.966 9.288 379 2HH2 ARG 47 HH22 ARG 47 2.858 -7.519 8.552 380 H ALA 48 H ALA 48 0.363 -1.354 9.693 381 HA ALA 48 HA ALA 48 -1.811 -2.970 10.480 382 1HB ALA 48 HB1 ALA 48 -1.431 0.055 10.445 383 2HB ALA 48 HB2 ALA 48 -2.692 -0.802 11.369 384 3HB ALA 48 HB3 ALA 48 -0.969 -1.052 11.748 385 H GLN 49 H GLN 49 -1.600 -0.362 8.011 386 HA GLN 49 HA GLN 49 -4.343 -0.727 7.123 387 1HB GLN 49 HB2 GLN 49 -1.915 0.909 6.374 388 2HB GLN 49 HB3 GLN 49 -3.267 0.805 5.251 389 1HG GLN 49 HG2 GLN 49 -3.570 2.756 6.619 390 2HG GLN 49 HG3 GLN 49 -4.852 1.579 6.918 391 1HE2 GLN 49 HE21 GLN 49 -2.431 3.553 8.396 392 2HE2 GLN 49 HE22 GLN 49 -2.628 2.912 10.018 393 H ALA 50 H ALA 50 -1.483 -2.503 6.513 394 HA ALA 50 HA ALA 50 -1.785 -3.025 3.778 395 1HB ALA 50 HB1 ALA 50 -0.257 -4.820 4.065 396 2HB ALA 50 HB2 ALA 50 0.176 -3.501 5.175 397 3HB ALA 50 HB3 ALA 50 -0.639 -4.956 5.796 398 H GLY 51 H GLY 51 -2.476 -4.942 2.678 399 1HA GLY 51 HA1 GLY 51 -3.583 -7.051 2.660 400 2HA GLY 51 HA2 GLY 51 -4.638 -6.557 3.991 401 H GLY 52 H GLY 52 -5.084 -3.775 2.755 402 1HA GLY 52 HA1 GLY 52 -6.145 -3.693 0.268 403 2HA GLY 52 HA2 GLY 52 -7.366 -4.645 1.155 404 H ASP 53 H ASP 53 -8.696 -2.769 0.632 405 HA ASP 53 HA ASP 53 -9.120 -0.458 0.696 406 1HB ASP 53 HB2 ASP 53 -10.924 -1.883 1.569 407 2HB ASP 53 HB3 ASP 53 -10.261 -1.716 3.206 408 H ALA 54 H ALA 54 -6.932 0.409 0.981 409 HA ALA 54 HA ALA 54 -6.755 1.869 3.603 410 1HB ALA 54 HB1 ALA 54 -4.503 1.062 1.731 411 2HB ALA 54 HB2 ALA 54 -4.353 2.074 3.189 412 3HB ALA 54 HB3 ALA 54 -4.839 0.365 3.331 413 H THR 55 H THR 55 -8.204 2.293 0.871 414 HA THR 55 HA THR 55 -6.746 4.379 -0.466 415 HB THR 55 HB THR 55 -9.717 3.673 -0.523 416 HG1 THR 55 HG1 THR 55 -7.886 2.132 -1.232 417 1HG2 THR 55 HG21 THR 55 -7.934 5.337 -2.354 418 2HG2 THR 55 HG22 THR 55 -9.590 4.819 -2.763 419 3HG2 THR 55 HG23 THR 55 -9.316 5.941 -1.418 420 H ALA 56 H ALA 56 -9.506 4.435 1.832 421 HA ALA 56 HA ALA 56 -9.632 7.250 2.161 422 1HB ALA 56 HB1 ALA 56 -10.293 5.022 4.143 423 2HB ALA 56 HB2 ALA 56 -10.800 6.721 4.271 424 3HB ALA 56 HB3 ALA 56 -11.394 5.718 2.934 425 H ASN 57 H ASN 57 -7.873 4.780 4.068 426 HA ASN 57 HA ASN 57 -6.613 6.454 5.924 427 1HB ASN 57 HB2 ASN 57 -6.150 3.731 4.840 428 2HB ASN 57 HB3 ASN 57 -4.667 4.534 5.314 429 1HD2 ASN 57 HD21 ASN 57 -7.695 3.156 6.519 430 2HD2 ASN 57 HD22 ASN 57 -7.251 3.304 8.208 431 H PHE 58 H PHE 58 -5.313 5.441 2.741 432 HA PHE 58 HA PHE 58 -3.006 7.048 2.718 433 1HB PHE 58 HB2 PHE 58 -3.330 5.311 1.115 434 2HB PHE 58 HB3 PHE 58 -4.811 6.035 0.512 435 HD1 PHE 58 HD1 PHE 58 -4.807 7.694 -1.211 436 HD2 PHE 58 HD2 PHE 58 -1.096 6.409 0.583 437 HE1 PHE 58 HE1 PHE 58 -3.549 8.830 -3.000 438 HE2 PHE 58 HE2 PHE 58 0.166 7.597 -1.194 439 HZ PHE 58 HZ PHE 58 -1.052 8.785 -3.001 440 H GLU 59 H GLU 59 -6.220 7.901 1.169 441 HA GLU 59 HA GLU 59 -5.166 10.411 0.373 442 1HB GLU 59 HB2 GLU 59 -7.327 10.924 -0.484 443 2HB GLU 59 HB3 GLU 59 -6.896 9.247 -0.820 444 1HG GLU 59 HG2 GLU 59 -9.105 9.007 -0.216 445 2HG GLU 59 HG3 GLU 59 -8.282 8.697 1.317 446 H ALA 60 H ALA 60 -7.031 9.460 3.204 447 HA ALA 60 HA ALA 60 -7.495 11.911 4.426 448 1HB ALA 60 HB1 ALA 60 -8.269 9.794 5.358 449 2HB ALA 60 HB2 ALA 60 -6.604 9.302 5.727 450 3HB ALA 60 HB3 ALA 60 -7.331 10.683 6.572 451 H VAL 61 H VAL 61 -4.373 10.190 4.098 452 HA VAL 61 HA VAL 61 -3.030 12.611 5.233 453 HB VAL 61 HB VAL 61 -2.643 10.604 6.560 454 1HG1 VAL 61 HG11 VAL 61 -1.355 8.761 5.880 455 2HG1 VAL 61 HG12 VAL 61 -2.623 8.911 4.661 456 3HG1 VAL 61 HG13 VAL 61 -0.978 9.460 4.305 457 1HG2 VAL 61 HG21 VAL 61 -0.253 10.886 6.786 458 2HG2 VAL 61 HG22 VAL 61 -0.125 11.619 5.183 459 3HG2 VAL 61 HG23 VAL 61 -1.007 12.456 6.477 460 H GLY 62 H GLY 62 -4.141 12.890 2.879 461 1HA GLY 62 HA1 GLY 62 -3.246 12.459 0.491 462 2HA GLY 62 HA2 GLY 62 -3.451 14.120 1.053 463 H HIS 63 HN HIS 63 -1.225 11.680 0.134 464 HA HIS 63 HA HIS 63 1.196 12.751 1.138 465 1HB HIS 63 HB2 HIS 63 0.487 10.767 -1.066 466 2HB HIS 63 HB3 HIS 63 2.136 11.116 -0.571 467 HD1 HIS 63 HND HIS 63 -1.039 9.556 1.092 468 HD2 HIS 63 HD HIS 63 3.128 9.890 1.322 469 HE1 HIS 63 HE HIS 63 -0.288 7.738 2.677 470 H SER 64 H SER 64 3.090 13.316 -0.296 471 HA SER 64 HA SER 64 2.441 15.679 -1.842 472 1HB SER 64 HB2 SER 64 4.443 15.442 -0.356 473 2HB SER 64 HB3 SER 64 5.128 14.292 -1.515 474 HG SER 64 HG SER 64 5.821 16.484 -1.840 475 H THR 65 H THR 65 3.985 15.907 -3.885 476 HA THR 65 HA THR 65 2.619 14.432 -6.022 477 HB THR 65 HB THR 65 4.277 15.795 -7.439 478 HG1 THR 65 HG1 THR 65 4.918 17.224 -5.103 479 1HG2 THR 65 HG21 THR 65 3.273 17.997 -6.942 480 2HG2 THR 65 HG22 THR 65 2.044 16.718 -6.922 481 3HG2 THR 65 HG23 THR 65 2.650 17.389 -5.393 482 H ASP 66 H ASP 66 6.059 14.802 -5.331 483 HA ASP 66 HA ASP 66 7.223 12.644 -6.604 484 1HB ASP 66 HB2 ASP 66 8.349 14.274 -5.022 485 2HB ASP 66 HB3 ASP 66 7.637 13.453 -3.650 486 H ALA 67 H ALA 67 5.703 12.571 -3.462 487 HA ALA 67 HA ALA 67 5.953 9.815 -2.946 488 1HB ALA 67 HB1 ALA 67 3.865 11.708 -1.866 489 2HB ALA 67 HB2 ALA 67 4.274 10.115 -1.192 490 3HB ALA 67 HB3 ALA 67 5.480 11.418 -1.202 491 H ARG 68 H ARG 68 3.213 11.569 -4.501 492 HA ARG 68 HA ARG 68 1.509 9.275 -4.859 493 1HB ARG 68 HB2 ARG 68 1.743 11.909 -6.348 494 2HB ARG 68 HB3 ARG 68 0.480 10.718 -6.675 495 1HG ARG 68 HG2 ARG 68 -0.611 11.071 -4.650 496 2HG ARG 68 HG3 ARG 68 0.847 11.517 -3.809 497 1HD ARG 68 HD2 ARG 68 0.020 13.537 -3.851 498 2HD ARG 68 HD3 ARG 68 0.626 13.685 -5.472 499 HE ARG 68 HE ARG 68 -2.120 13.440 -4.460 500 1HH1 ARG 68 HH11 ARG 68 -3.509 14.325 -7.570 501 2HH1 ARG 68 HH12 ARG 68 -3.771 14.230 -5.860 502 1HH2 ARG 68 HH21 ARG 68 -1.366 13.716 -8.460 503 2HH2 ARG 68 HH22 ARG 68 -0.170 13.107 -7.354 504 H GLU 69 H GLU 69 4.225 10.646 -6.736 505 HA GLU 69 HA GLU 69 3.824 8.760 -8.949 506 1HB GLU 69 HB2 GLU 69 5.766 10.889 -8.181 507 2HB GLU 69 HB3 GLU 69 6.187 9.808 -9.492 508 1HG GLU 69 HG2 GLU 69 3.633 11.503 -9.269 509 2HG GLU 69 HG3 GLU 69 5.020 11.877 -10.288 510 H LEU 70 H LEU 70 5.756 8.915 -6.086 511 HA LEU 70 HA LEU 70 7.396 6.703 -6.515 512 1HB LEU 70 HB2 LEU 70 7.760 8.434 -4.828 513 2HB LEU 70 HB3 LEU 70 6.322 7.901 -3.964 514 HG LEU 70 HG LEU 70 7.290 6.099 -2.992 515 1HD1 LEU 70 HD11 LEU 70 7.944 5.043 -4.907 516 2HD1 LEU 70 HD12 LEU 70 9.219 6.234 -5.294 517 3HD1 LEU 70 HD13 LEU 70 9.427 5.114 -3.914 518 1HD2 LEU 70 HD21 LEU 70 8.338 8.185 -2.152 519 2HD2 LEU 70 HD22 LEU 70 9.488 6.831 -2.127 520 3HD2 LEU 70 HD23 LEU 70 9.597 8.061 -3.399 521 H SER 71 H SER 71 4.412 6.955 -4.691 522 HA SER 71 HA SER 71 3.454 4.377 -4.452 523 1HB SER 71 HB2 SER 71 1.602 6.389 -5.765 524 2HB SER 71 HB3 SER 71 1.226 5.065 -4.701 525 HG SER 71 HG SER 71 2.694 7.403 -3.980 526 H LYS 72 H LYS 72 3.008 6.198 -7.589 527 HA LYS 72 HA LYS 72 2.191 3.899 -9.039 528 1HB LYS 72 HB2 LYS 72 3.665 6.361 -10.077 529 2HB LYS 72 HB3 LYS 72 2.841 5.145 -11.046 530 1HG LYS 72 HG2 LYS 72 0.923 5.934 -9.102 531 2HG LYS 72 HG3 LYS 72 1.725 7.438 -9.566 532 1HD LYS 72 HD2 LYS 72 0.629 5.409 -11.567 533 2HD LYS 72 HD3 LYS 72 -0.322 6.767 -10.939 534 1HE LYS 72 HE2 LYS 72 1.085 8.412 -11.890 535 2HE LYS 72 HE3 LYS 72 2.404 7.282 -12.208 536 1HZ LYS 72 HZ1 LYS 72 1.229 7.871 -14.173 537 2HZ LYS 72 HZ2 LYS 72 1.046 6.261 -13.889 538 3HZ LYS 72 HZ3 LYS 72 -0.198 7.305 -13.582 539 H THR 73 H THR 73 5.481 5.018 -8.289 540 HA THR 73 HA THR 73 6.882 3.187 -9.980 541 HB THR 73 HB THR 73 7.797 4.448 -7.355 542 HG1 THR 73 HG1 THR 73 7.115 5.944 -8.969 543 1HG2 THR 73 HG21 THR 73 10.049 4.206 -8.263 544 2HG2 THR 73 HG22 THR 73 9.285 2.682 -7.810 545 3HG2 THR 73 HG23 THR 73 9.402 3.142 -9.535 546 H PHE 74 H PHE 74 5.290 2.823 -6.921 547 HA PHE 74 HA PHE 74 6.272 0.026 -6.561 548 1HB PHE 74 HB2 PHE 74 4.697 1.940 -4.798 549 2HB PHE 74 HB3 PHE 74 4.897 0.242 -4.415 550 HD1 PHE 74 HD1 PHE 74 6.273 3.385 -3.734 551 HD2 PHE 74 HD2 PHE 74 7.346 -0.718 -4.526 552 HE1 PHE 74 HE1 PHE 74 8.373 3.660 -2.428 553 HE2 PHE 74 HE2 PHE 74 9.540 -0.354 -3.429 554 HZ PHE 74 HZ PHE 74 10.067 1.855 -2.435 555 H ILE 75 H ILE 75 3.985 1.345 -8.513 556 HA ILE 75 HA ILE 75 1.675 -0.191 -7.752 557 HB ILE 75 HB ILE 75 2.022 1.755 -9.502 558 1HG1 ILE 75 HG12 ILE 75 -0.094 -0.388 -9.631 559 2HG1 ILE 75 HG13 ILE 75 0.001 1.043 -8.571 560 1HG2 ILE 75 HG21 ILE 75 3.356 0.336 -11.106 561 2HG2 ILE 75 HG22 ILE 75 1.895 -0.661 -11.339 562 3HG2 ILE 75 HG23 ILE 75 1.915 1.053 -11.815 563 1HD1 ILE 75 HD11 ILE 75 -0.010 2.527 -10.514 564 2HD1 ILE 75 HD12 ILE 75 -0.322 1.116 -11.570 565 3HD1 ILE 75 HD13 ILE 75 -1.494 1.564 -10.320 566 H ILE 76 H ILE 76 1.274 -2.364 -7.922 567 HA ILE 76 HA ILE 76 3.140 -4.009 -9.627 568 HB ILE 76 HB ILE 76 2.334 -5.882 -8.209 569 1HG1 ILE 76 HG12 ILE 76 1.396 -3.758 -6.226 570 2HG1 ILE 76 HG13 ILE 76 0.284 -4.488 -7.381 571 1HG2 ILE 76 HG21 ILE 76 3.781 -3.659 -6.701 572 2HG2 ILE 76 HG22 ILE 76 3.914 -5.410 -6.424 573 3HG2 ILE 76 HG23 ILE 76 4.527 -4.710 -7.917 574 1HD1 ILE 76 HD11 ILE 76 0.286 -5.641 -5.205 575 2HD1 ILE 76 HD12 ILE 76 0.778 -6.716 -6.530 576 3HD1 ILE 76 HD13 ILE 76 1.992 -6.042 -5.418 577 H GLY 77 H GLY 77 -0.116 -2.822 -9.355 578 1HA GLY 77 HA1 GLY 77 -1.076 -3.297 -11.752 579 2HA GLY 77 HA2 GLY 77 -1.285 -4.912 -11.038 580 H GLU 78 H GLU 78 -3.557 -4.681 -10.995 581 HA GLU 78 HA GLU 78 -4.662 -2.578 -9.213 582 1HB GLU 78 HB2 GLU 78 -5.521 -3.324 -12.032 583 2HB GLU 78 HB3 GLU 78 -6.409 -2.266 -10.933 584 1HG GLU 78 HG2 GLU 78 -4.287 -0.825 -10.845 585 2HG GLU 78 HG3 GLU 78 -3.694 -1.794 -12.204 586 H LEU 79 H LEU 79 -6.961 -2.871 -8.752 587 HA LEU 79 HA LEU 79 -7.361 -5.363 -7.436 588 1HB LEU 79 HB2 LEU 79 -8.307 -3.198 -6.708 589 2HB LEU 79 HB3 LEU 79 -9.221 -3.106 -8.217 590 HG LEU 79 HG LEU 79 -10.350 -5.350 -7.452 591 1HD1 LEU 79 HD11 LEU 79 -10.413 -5.676 -5.019 592 2HD1 LEU 79 HD12 LEU 79 -8.747 -5.853 -5.597 593 3HD1 LEU 79 HD13 LEU 79 -9.257 -4.346 -4.802 594 1HD2 LEU 79 HD21 LEU 79 -12.017 -4.056 -6.276 595 2HD2 LEU 79 HD22 LEU 79 -10.837 -2.765 -5.951 596 3HD2 LEU 79 HD23 LEU 79 -11.342 -3.153 -7.618 597 H HIS 80 H HIS 80 -8.309 -7.205 -8.151 598 HA HIS 80 HA HIS 80 -8.811 -7.768 -10.840 599 1HB HIS 80 HB2 HIS 80 -8.463 -9.335 -8.824 600 2HB HIS 80 HB3 HIS 80 -10.211 -9.263 -8.614 601 HD1 HIS 80 HD1 HIS 80 -11.584 -10.680 -10.500 602 HD2 HIS 80 HD2 HIS 80 -7.402 -10.567 -10.929 603 HE1 HIS 80 HE1 HIS 80 -11.017 -12.333 -12.309 604 HA PRO 81 HA PRO 81 -12.765 -5.832 -11.527 605 1HB PRO 81 HB2 PRO 81 -13.516 -7.066 -13.858 606 2HB PRO 81 HB3 PRO 81 -12.242 -5.814 -13.766 607 1HG PRO 81 HG2 PRO 81 -11.883 -8.827 -13.743 608 2HG PRO 81 HG3 PRO 81 -11.033 -7.638 -14.779 609 1HD PRO 81 HD2 PRO 81 -9.918 -8.591 -12.547 610 2HD PRO 81 HD3 PRO 81 -9.746 -6.854 -12.935 611 H ASP 82 H ASP 82 -12.338 -9.005 -10.519 612 HA ASP 82 HA ASP 82 -15.136 -9.885 -10.610 613 1HB ASP 82 HB2 ASP 82 -13.315 -11.537 -10.590 614 2HB ASP 82 HB3 ASP 82 -12.758 -10.909 -8.998 615 H ASP 83 H ASP 83 -12.947 -8.101 -8.458 616 HA ASP 83 HA ASP 83 -14.637 -8.200 -6.107 617 1HB ASP 83 HB2 ASP 83 -12.228 -7.797 -5.969 618 2HB ASP 83 HB3 ASP 83 -12.421 -6.300 -6.907 619 H ARG 84 H ARG 84 -13.995 -5.799 -8.616 620 HA ARG 84 HA ARG 84 -15.519 -3.681 -7.653 621 1HB ARG 84 HB2 ARG 84 -14.424 -4.476 -10.334 622 2HB ARG 84 HB3 ARG 84 -15.669 -3.224 -10.328 623 1HG ARG 84 HG2 ARG 84 -14.478 -1.824 -8.830 624 2HG ARG 84 HG3 ARG 84 -13.261 -3.059 -8.510 625 1HD ARG 84 HD2 ARG 84 -13.797 -1.920 -11.274 626 2HD ARG 84 HD3 ARG 84 -12.657 -1.144 -10.151 627 HE ARG 84 HE ARG 84 -11.773 -3.742 -10.194 628 1HH1 ARG 84 HH11 ARG 84 -9.673 -3.580 -13.047 629 2HH1 ARG 84 HH12 ARG 84 -9.871 -4.265 -11.468 630 1HH2 ARG 84 HH21 ARG 84 -11.116 -1.850 -13.753 631 2HH2 ARG 84 HH22 ARG 84 -12.438 -1.380 -12.728 632 HHA HEM 201 HGM HEM 201 4.755 10.926 5.258 633 HHB HEM 201 HDM HEM 201 5.824 7.590 -0.185 634 HHC HEM 201 HAM HEM 201 0.677 3.951 1.107 635 HHD HEM 201 HBM HEM 201 0.053 6.820 6.854 636 1HMA HEM 201 HM81 HEM 201 8.212 9.560 1.001 637 2HMA HEM 201 HM82 HEM 201 6.983 9.464 -0.278 638 3HMA HEM 201 HM83 HEM 201 7.253 10.983 0.552 639 1HAA HEM 201 HAA1 HEM 201 6.649 11.755 4.231 640 2HAA HEM 201 HAA2 HEM 201 7.337 11.878 2.621 641 1HBA HEM 201 HBA1 HEM 201 5.771 13.726 3.182 642 2HBA HEM 201 HBA2 HEM 201 4.451 12.568 3.333 643 1HMB HEM 201 HM11 HEM 201 4.798 6.536 -2.287 644 2HMB HEM 201 HM12 HEM 201 5.789 5.278 -1.497 645 3HMB HEM 201 HM13 HEM 201 4.371 4.824 -2.448 646 HAB HEM 201 HT2A HEM 201 2.099 2.941 -0.970 647 1HBB HEM 201 HV2C HEM 201 0.880 5.467 -2.066 648 2HBB HEM 201 HV2T HEM 201 0.644 3.714 -2.670 649 1HMC HEM 201 HM31 HEM 201 -1.525 2.674 3.915 650 2HMC HEM 201 HM32 HEM 201 -2.191 3.797 2.716 651 3HMC HEM 201 HM33 HEM 201 -0.801 2.767 2.307 652 HAC HEM 201 HT4A HEM 201 -1.378 3.830 6.449 653 1HBC HEM 201 HV4C HEM 201 -2.545 6.548 5.645 654 2HBC HEM 201 HV4T HEM 201 -2.898 5.587 7.203 655 1HMD HEM 201 HM51 HEM 201 1.054 9.895 8.880 656 2HMD HEM 201 HM52 HEM 201 -0.026 8.666 8.230 657 3HMD HEM 201 HM53 HEM 201 1.442 8.176 9.111 658 1HAD HEM 201 HAD1 HEM 201 3.233 10.601 8.730 659 2HAD HEM 201 HAD2 HEM 201 4.495 10.846 7.555 660 1HBD HEM 201 HBD1 HEM 201 2.232 12.215 6.510 661 2HBD HEM 201 HBD2 HEM 201 2.252 12.564 8.244 Start of MODEL 3 1 1H ALA 3 H1 ALA 3 0.767 -10.804 -18.502 2 2H ALA 3 H2 ALA 3 0.152 -11.614 -19.831 3 3H ALA 3 H3 ALA 3 1.207 -10.337 -20.009 4 HA ALA 3 HA ALA 3 -1.564 -10.312 -19.110 5 1HB ALA 3 HB1 ALA 3 -1.148 -9.822 -21.494 6 2HB ALA 3 HB2 ALA 3 -1.786 -8.406 -20.655 7 3HB ALA 3 HB3 ALA 3 -0.053 -8.492 -21.043 8 H VAL 4 H VAL 4 -1.721 -7.441 -18.853 9 HA VAL 4 HA VAL 4 -0.499 -6.980 -16.252 10 HB VAL 4 HB VAL 4 -1.685 -5.196 -17.417 11 1HG1 VAL 4 HG11 VAL 4 -3.731 -7.193 -17.973 12 2HG1 VAL 4 HG12 VAL 4 -4.440 -5.826 -17.118 13 3HG1 VAL 4 HG13 VAL 4 -3.535 -5.559 -18.612 14 1HG2 VAL 4 HG21 VAL 4 -3.112 -4.400 -15.635 15 2HG2 VAL 4 HG22 VAL 4 -3.248 -6.026 -14.942 16 3HG2 VAL 4 HG23 VAL 4 -1.679 -5.186 -14.955 17 H LYS 5 H LYS 5 -1.449 -7.786 -14.255 18 HA LYS 5 HA LYS 5 -3.620 -9.773 -14.479 19 1HB LYS 5 HB2 LYS 5 -1.582 -11.114 -14.703 20 2HB LYS 5 HB3 LYS 5 -0.927 -10.402 -13.215 21 1HG LYS 5 HG2 LYS 5 -2.886 -11.336 -11.951 22 2HG LYS 5 HG3 LYS 5 -3.489 -12.065 -13.454 23 1HD LYS 5 HD2 LYS 5 -1.368 -13.377 -13.638 24 2HD LYS 5 HD3 LYS 5 -0.797 -12.612 -12.135 25 1HE LYS 5 HE2 LYS 5 -2.831 -13.558 -10.955 26 2HE LYS 5 HE3 LYS 5 -3.243 -14.439 -12.433 27 1HZ LYS 5 HZ1 LYS 5 -1.747 -15.977 -11.929 28 2HZ LYS 5 HZ2 LYS 5 -0.555 -14.890 -11.599 29 3HZ LYS 5 HZ3 LYS 5 -1.641 -15.301 -10.436 30 H TYR 6 H TYR 6 -4.973 -8.493 -13.427 31 HA TYR 6 HA TYR 6 -4.403 -6.824 -11.186 32 1HB TYR 6 HB2 TYR 6 -6.994 -8.209 -11.880 33 2HB TYR 6 HB3 TYR 6 -6.772 -6.671 -11.023 34 HD1 TYR 6 HD1 TYR 6 -7.737 -8.085 -14.094 35 HD2 TYR 6 HD2 TYR 6 -5.301 -4.930 -12.499 36 HE1 TYR 6 HE1 TYR 6 -8.000 -6.822 -16.208 37 HE2 TYR 6 HE2 TYR 6 -5.539 -3.659 -14.629 38 HH TYR 6 HH TYR 6 -6.303 -3.736 -16.799 39 H TYR 7 H TYR 7 -5.280 -7.188 -8.968 40 HA TYR 7 HA TYR 7 -5.023 -10.061 -8.132 41 1HB TYR 7 HB2 TYR 7 -4.096 -7.655 -6.566 42 2HB TYR 7 HB3 TYR 7 -3.886 -9.358 -6.162 43 HD1 TYR 7 HD1 TYR 7 -2.501 -6.504 -7.866 44 HD2 TYR 7 HD2 TYR 7 -2.451 -10.812 -7.778 45 HE1 TYR 7 HE1 TYR 7 -0.362 -6.500 -9.065 46 HE2 TYR 7 HE2 TYR 7 -0.287 -10.804 -9.007 47 HH TYR 7 HH TYR 7 1.336 -7.740 -9.938 48 H THR 8 H THR 8 -6.525 -10.806 -6.743 49 HA THR 8 HA THR 8 -9.014 -9.321 -6.470 50 HB THR 8 HB THR 8 -9.772 -11.397 -5.389 51 HG1 THR 8 HG1 THR 8 -7.520 -12.921 -5.643 52 1HG2 THR 8 HG21 THR 8 -8.980 -13.071 -7.280 53 2HG2 THR 8 HG22 THR 8 -10.041 -11.705 -7.652 54 3HG2 THR 8 HG23 THR 8 -8.317 -11.615 -8.033 55 H LEU 9 H LEU 9 -9.996 -8.776 -4.359 56 HA LEU 9 HA LEU 9 -8.329 -7.603 -2.484 57 1HB LEU 9 HB2 LEU 9 -11.100 -8.064 -2.808 58 2HB LEU 9 HB3 LEU 9 -10.742 -8.788 -1.291 59 HG LEU 9 HG LEU 9 -10.044 -5.922 -2.086 60 1HD1 LEU 9 HD11 LEU 9 -12.054 -6.779 0.022 61 2HD1 LEU 9 HD12 LEU 9 -11.805 -5.172 -0.699 62 3HD1 LEU 9 HD13 LEU 9 -12.512 -6.475 -1.664 63 1HD2 LEU 9 HD21 LEU 9 -9.631 -5.659 0.432 64 2HD2 LEU 9 HD22 LEU 9 -9.614 -7.429 0.528 65 3HD2 LEU 9 HD23 LEU 9 -8.392 -6.573 -0.437 66 H GLU 10 H GLU 10 -9.486 -10.963 -2.709 67 HA GLU 10 HA GLU 10 -8.472 -11.925 -0.270 68 1HB GLU 10 HB2 GLU 10 -10.018 -13.103 -1.892 69 2HB GLU 10 HB3 GLU 10 -8.604 -13.510 -2.851 70 1HG GLU 10 HG2 GLU 10 -9.122 -15.375 -1.386 71 2HG GLU 10 HG3 GLU 10 -7.597 -14.660 -0.867 72 H GLU 11 H GLU 11 -6.961 -12.213 -3.540 73 HA GLU 11 HA GLU 11 -4.528 -13.270 -2.718 74 1HB GLU 11 HB2 GLU 11 -5.488 -11.810 -5.109 75 2HB GLU 11 HB3 GLU 11 -3.814 -11.449 -4.759 76 1HG GLU 11 HG2 GLU 11 -3.870 -13.361 -6.230 77 2HG GLU 11 HG3 GLU 11 -3.312 -13.898 -4.640 78 H ILE 12 H ILE 12 -5.408 -9.821 -2.969 79 HA ILE 12 HA ILE 12 -2.902 -8.825 -2.044 80 HB ILE 12 HB ILE 12 -5.663 -7.582 -1.862 81 1HG1 ILE 12 HG12 ILE 12 -3.593 -7.061 -4.045 82 2HG1 ILE 12 HG13 ILE 12 -4.755 -8.349 -4.230 83 1HG2 ILE 12 HG21 ILE 12 -4.575 -5.450 -1.682 84 2HG2 ILE 12 HG22 ILE 12 -3.752 -6.469 -0.507 85 3HG2 ILE 12 HG23 ILE 12 -2.992 -6.139 -2.068 86 1HD1 ILE 12 HD11 ILE 12 -6.629 -6.773 -3.927 87 2HD1 ILE 12 HD12 ILE 12 -5.449 -5.443 -3.830 88 3HD1 ILE 12 HD13 ILE 12 -5.619 -6.381 -5.317 89 H GLN 13 H GLN 13 -5.949 -9.649 -0.243 90 HA GLN 13 HA GLN 13 -5.222 -8.835 2.333 91 1HB GLN 13 HB2 GLN 13 -7.075 -10.950 1.222 92 2HB GLN 13 HB3 GLN 13 -6.705 -10.917 2.912 93 1HG GLN 13 HG2 GLN 13 -7.451 -8.228 2.062 94 2HG GLN 13 HG3 GLN 13 -8.644 -9.405 1.522 95 1HE2 GLN 13 HE21 GLN 13 -7.194 -7.939 4.399 96 2HE2 GLN 13 HE22 GLN 13 -8.326 -8.671 5.533 97 H LYS 14 H LYS 14 -4.500 -11.895 0.603 98 HA LYS 14 HA LYS 14 -3.388 -13.303 2.765 99 1HB LYS 14 HB2 LYS 14 -2.561 -13.330 -0.155 100 2HB LYS 14 HB3 LYS 14 -2.068 -14.537 1.016 101 1HG LYS 14 HG2 LYS 14 -5.020 -13.950 0.558 102 2HG LYS 14 HG3 LYS 14 -4.148 -14.948 -0.573 103 1HD LYS 14 HD2 LYS 14 -3.756 -15.652 2.306 104 2HD LYS 14 HD3 LYS 14 -5.433 -15.744 1.769 105 1HE LYS 14 HE2 LYS 14 -5.111 -17.567 0.442 106 2HE LYS 14 HE3 LYS 14 -3.549 -17.005 -0.162 107 1HZ LYS 14 HZ1 LYS 14 -3.061 -18.845 1.039 108 2HZ LYS 14 HZ2 LYS 14 -2.662 -17.628 2.066 109 3HZ LYS 14 HZ3 LYS 14 -4.056 -18.481 2.301 110 H HIS 15 H HIS 15 -2.095 -10.516 1.107 111 HA HIS 15 HA HIS 15 0.620 -10.807 2.289 112 1HB HIS 15 HB2 HIS 15 -0.519 -8.809 0.294 113 2HB HIS 15 HB3 HIS 15 1.109 -8.803 0.919 114 HD1 HIS 15 HD1 HIS 15 2.389 -9.315 -1.281 115 HD2 HIS 15 HD2 HIS 15 -0.830 -11.918 -0.562 116 HE1 HIS 15 HE1 HIS 15 2.491 -11.138 -3.061 117 H ASN 16 H ASN 16 -0.474 -10.644 4.433 118 HA ASN 16 HA ASN 16 -0.655 -7.790 5.291 119 1HB ASN 16 HB2 ASN 16 -2.651 -8.110 6.534 120 2HB ASN 16 HB3 ASN 16 -2.993 -8.733 4.928 121 1HD2 ASN 16 HD21 ASN 16 -2.676 -11.147 4.667 122 2HD2 ASN 16 HD22 ASN 16 -3.049 -12.214 5.998 123 H ASN 17 H ASN 17 1.578 -9.715 5.637 124 HA ASN 17 HA ASN 17 1.979 -9.657 8.439 125 1HB ASN 17 HB2 ASN 17 0.332 -11.938 7.473 126 2HB ASN 17 HB3 ASN 17 1.843 -12.509 8.153 127 1HD2 ASN 17 HD21 ASN 17 -0.159 -13.468 9.465 128 2HD2 ASN 17 HD22 ASN 17 -0.429 -12.617 10.973 129 H SER 18 H SER 18 3.836 -11.164 9.051 130 HA SER 18 HA SER 18 5.966 -11.783 8.823 131 1HB SER 18 HB2 SER 18 5.176 -12.530 5.969 132 2HB SER 18 HB3 SER 18 6.686 -12.968 6.782 133 HG SER 18 HG SER 18 5.097 -14.599 7.015 134 H LYS 19 H LYS 19 5.264 -10.281 5.692 135 HA LYS 19 HA LYS 19 6.657 -7.879 6.253 136 1HB LYS 19 HB2 LYS 19 8.182 -10.009 4.816 137 2HB LYS 19 HB3 LYS 19 8.043 -8.498 3.924 138 1HG LYS 19 HG2 LYS 19 8.848 -7.268 6.022 139 2HG LYS 19 HG3 LYS 19 9.192 -8.875 6.688 140 1HD LYS 19 HD2 LYS 19 10.380 -9.141 4.266 141 2HD LYS 19 HD3 LYS 19 10.455 -7.377 4.370 142 1HE LYS 19 HE2 LYS 19 12.027 -7.401 6.083 143 2HE LYS 19 HE3 LYS 19 11.388 -8.879 6.811 144 1HZ LYS 19 HZ1 LYS 19 12.361 -10.149 5.056 145 2HZ LYS 19 HZ2 LYS 19 13.021 -8.798 4.377 146 3HZ LYS 19 HZ3 LYS 19 13.500 -9.294 5.870 147 H SER 20 H SER 20 5.401 -10.130 3.742 148 HA SER 20 HA SER 20 4.909 -8.473 1.614 149 1HB SER 20 HB2 SER 20 3.008 -10.070 1.191 150 2HB SER 20 HB3 SER 20 4.578 -10.828 1.478 151 HG SER 20 HG SER 20 2.720 -10.352 3.555 152 H THR 21 H THR 21 4.267 -6.424 2.031 153 HA THR 21 HA THR 21 1.622 -5.956 3.339 154 HB THR 21 HB THR 21 4.220 -4.414 3.446 155 HG1 THR 21 HG1 THR 21 3.931 -4.744 5.569 156 1HG2 THR 21 HG21 THR 21 2.571 -2.809 4.837 157 2HG2 THR 21 HG22 THR 21 2.935 -2.541 3.122 158 3HG2 THR 21 HG23 THR 21 1.435 -3.338 3.586 159 H TRP 22 H TRP 22 0.451 -6.181 1.513 160 HA TRP 22 HA TRP 22 0.843 -4.182 -0.678 161 1HB TRP 22 HB2 TRP 22 -0.744 -6.773 -0.531 162 2HB TRP 22 HB3 TRP 22 -0.818 -5.605 -1.839 163 HD1 TRP 22 HD1 TRP 22 2.738 -6.031 -0.848 164 HE1 TRP 22 HE1 TRP 22 3.961 -7.288 -2.661 165 HE3 TRP 22 HE3 TRP 22 -1.314 -7.812 -3.389 166 HZ2 TRP 22 HZ2 TRP 22 3.270 -8.846 -5.025 167 HZ3 TRP 22 HZ3 TRP 22 -1.024 -9.251 -5.353 168 HH2 TRP 22 HH2 TRP 22 1.273 -9.691 -6.266 169 H LEU 23 H LEU 23 -1.567 -3.551 -1.445 170 HA LEU 23 HA LEU 23 -3.693 -3.460 0.356 171 1HB LEU 23 HB2 LEU 23 -3.419 -0.961 1.005 172 2HB LEU 23 HB3 LEU 23 -2.626 -2.195 1.942 173 HG LEU 23 HG LEU 23 -0.487 -1.708 0.475 174 1HD1 LEU 23 HD11 LEU 23 -1.605 -0.349 -1.268 175 2HD1 LEU 23 HD12 LEU 23 -2.062 0.799 0.021 176 3HD1 LEU 23 HD13 LEU 23 -0.366 0.558 -0.395 177 1HD2 LEU 23 HD21 LEU 23 -1.714 -0.099 2.674 178 2HD2 LEU 23 HD22 LEU 23 -0.250 -1.111 2.646 179 3HD2 LEU 23 HD23 LEU 23 -0.234 0.490 1.869 180 H ILE 24 H ILE 24 -5.217 -1.630 -0.311 181 HA ILE 24 HA ILE 24 -4.956 -1.174 -3.271 182 HB ILE 24 HB ILE 24 -7.424 -1.686 -1.600 183 1HG1 ILE 24 HG12 ILE 24 -6.432 -3.355 -3.933 184 2HG1 ILE 24 HG13 ILE 24 -5.740 -3.610 -2.334 185 1HG2 ILE 24 HG21 ILE 24 -8.607 -1.690 -3.809 186 2HG2 ILE 24 HG22 ILE 24 -7.942 -0.102 -3.426 187 3HG2 ILE 24 HG23 ILE 24 -7.107 -1.153 -4.591 188 1HD1 ILE 24 HD11 ILE 24 -7.994 -3.918 -1.339 189 2HD1 ILE 24 HD12 ILE 24 -8.691 -3.866 -2.970 190 3HD1 ILE 24 HD13 ILE 24 -7.558 -5.155 -2.522 191 H LEU 25 H LEU 25 -4.583 0.842 -3.725 192 HA LEU 25 HA LEU 25 -5.847 3.099 -2.188 193 1HB LEU 25 HB2 LEU 25 -3.118 2.589 -3.216 194 2HB LEU 25 HB3 LEU 25 -3.748 4.236 -3.302 195 HG LEU 25 HG LEU 25 -3.760 4.600 -1.115 196 1HD1 LEU 25 HD11 LEU 25 -3.772 1.644 -0.791 197 2HD1 LEU 25 HD12 LEU 25 -3.421 2.744 0.576 198 3HD1 LEU 25 HD13 LEU 25 -4.963 2.843 -0.292 199 1HD2 LEU 25 HD21 LEU 25 -1.520 4.017 -0.280 200 2HD2 LEU 25 HD22 LEU 25 -1.366 2.718 -1.466 201 3HD2 LEU 25 HD23 LEU 25 -1.444 4.410 -1.999 202 H HIS 26 H HIS 26 -7.607 3.418 -3.385 203 HA HIS 26 HA HIS 26 -8.900 4.064 -5.137 204 1HB HIS 26 HB2 HIS 26 -6.363 5.080 -6.465 205 2HB HIS 26 HB3 HIS 26 -8.020 5.602 -6.763 206 HD1 HIS 26 HD1 HIS 26 -9.070 7.308 -4.925 207 HD2 HIS 26 HD2 HIS 26 -5.121 6.012 -4.300 208 HE1 HIS 26 HE1 HIS 26 -8.074 8.840 -3.139 209 H TYR 27 H TYR 27 -8.331 1.417 -5.184 210 HA TYR 27 HA TYR 27 -8.503 -0.420 -6.455 211 1HB TYR 27 HB2 TYR 27 -8.730 1.292 -8.949 212 2HB TYR 27 HB3 TYR 27 -9.343 -0.323 -8.669 213 HD1 TYR 27 HD1 TYR 27 -10.832 -0.394 -6.313 214 HD2 TYR 27 HD2 TYR 27 -10.395 2.978 -8.954 215 HE1 TYR 27 HE1 TYR 27 -12.974 0.500 -5.498 216 HE2 TYR 27 HE2 TYR 27 -12.520 3.920 -8.081 217 HH TYR 27 HH TYR 27 -14.455 2.253 -5.582 218 H LYS 28 H LYS 28 -5.792 1.262 -6.262 219 HA LYS 28 HA LYS 28 -4.335 -0.376 -8.289 220 1HB LYS 28 HB2 LYS 28 -3.489 2.266 -7.078 221 2HB LYS 28 HB3 LYS 28 -2.678 1.306 -8.335 222 1HG LYS 28 HG2 LYS 28 -5.065 1.438 -9.496 223 2HG LYS 28 HG3 LYS 28 -5.307 2.821 -8.439 224 1HD LYS 28 HD2 LYS 28 -4.135 4.158 -9.783 225 2HD LYS 28 HD3 LYS 28 -2.736 3.069 -9.790 226 1HE LYS 28 HE2 LYS 28 -3.871 1.619 -11.502 227 2HE LYS 28 HE3 LYS 28 -5.295 2.673 -11.456 228 1HZ LYS 28 HZ1 LYS 28 -2.829 2.964 -12.815 229 2HZ LYS 28 HZ2 LYS 28 -4.318 3.564 -13.164 230 3HZ LYS 28 HZ3 LYS 28 -3.360 4.358 -12.070 231 H VAL 29 H VAL 29 -3.116 -1.919 -7.547 232 HA VAL 29 HA VAL 29 -2.656 -2.156 -4.693 233 HB VAL 29 HB VAL 29 -1.743 -4.115 -6.800 234 1HG1 VAL 29 HG11 VAL 29 -1.901 -5.704 -4.974 235 2HG1 VAL 29 HG12 VAL 29 -1.001 -4.314 -4.347 236 3HG1 VAL 29 HG13 VAL 29 -2.705 -4.512 -3.929 237 1HG2 VAL 29 HG21 VAL 29 -4.511 -3.819 -5.603 238 2HG2 VAL 29 HG22 VAL 29 -4.048 -3.842 -7.323 239 3HG2 VAL 29 HG23 VAL 29 -3.894 -5.307 -6.357 240 H TYR 30 H TYR 30 -0.749 -1.873 -3.701 241 HA TYR 30 HA TYR 30 1.678 -1.118 -5.282 242 1HB TYR 30 HB2 TYR 30 0.409 0.112 -2.809 243 2HB TYR 30 HB3 TYR 30 2.030 0.514 -3.346 244 HD1 TYR 30 HD1 TYR 30 -1.327 1.489 -3.486 245 HD2 TYR 30 HD2 TYR 30 2.125 1.152 -5.987 246 HE1 TYR 30 HE1 TYR 30 -2.291 3.205 -5.084 247 HE2 TYR 30 HE2 TYR 30 1.045 2.615 -7.677 248 HH TYR 30 HH TYR 30 -0.623 4.099 -8.068 249 H ASP 31 H ASP 31 3.323 -2.504 -4.821 250 HA ASP 31 HA ASP 31 3.234 -4.043 -2.277 251 1HB ASP 31 HB2 ASP 31 3.905 -5.311 -4.270 252 2HB ASP 31 HB3 ASP 31 5.246 -4.185 -4.554 253 H LEU 32 H LEU 32 3.921 -2.847 -0.569 254 HA LEU 32 HA LEU 32 6.384 -1.207 -0.915 255 1HB LEU 32 HB2 LEU 32 4.287 -0.807 1.164 256 2HB LEU 32 HB3 LEU 32 5.572 0.274 0.801 257 HG LEU 32 HG LEU 32 4.035 -0.095 -1.645 258 1HD1 LEU 32 HD11 LEU 32 2.274 1.335 0.282 259 2HD1 LEU 32 HD12 LEU 32 1.891 0.310 -1.109 260 3HD1 LEU 32 HD13 LEU 32 2.287 -0.435 0.419 261 1HD2 LEU 32 HD21 LEU 32 4.213 2.189 -1.819 262 2HD2 LEU 32 HD22 LEU 32 4.347 2.435 -0.051 263 3HD2 LEU 32 HD23 LEU 32 5.673 1.703 -0.979 264 H THR 33 H THR 33 5.890 -4.185 -0.316 265 HA THR 33 HA THR 33 6.236 -4.674 2.415 266 HB THR 33 HB THR 33 5.660 -6.317 0.613 267 HG1 THR 33 HG1 THR 33 6.557 -6.755 2.827 268 1HG2 THR 33 HG21 THR 33 8.611 -6.746 0.272 269 2HG2 THR 33 HG22 THR 33 7.249 -7.527 -0.566 270 3HG2 THR 33 HG23 THR 33 7.648 -5.834 -0.924 271 H LYS 34 H LYS 34 8.629 -3.968 -0.033 272 HA LYS 34 HA LYS 34 10.840 -3.941 2.007 273 1HB LYS 34 HB2 LYS 34 10.802 -4.302 -1.009 274 2HB LYS 34 HB3 LYS 34 12.246 -3.701 -0.198 275 1HG LYS 34 HG2 LYS 34 12.859 -5.712 0.493 276 2HG LYS 34 HG3 LYS 34 11.324 -5.935 1.332 277 1HD LYS 34 HD2 LYS 34 10.367 -6.558 -1.013 278 2HD LYS 34 HD3 LYS 34 12.053 -6.740 -1.503 279 1HE LYS 34 HE2 LYS 34 12.445 -8.475 0.142 280 2HE LYS 34 HE3 LYS 34 10.943 -8.108 1.006 281 1HZ LYS 34 HZ1 LYS 34 9.691 -8.900 -0.841 282 2HZ LYS 34 HZ2 LYS 34 11.056 -9.270 -1.685 283 3HZ LYS 34 HZ3 LYS 34 10.705 -10.069 -0.290 284 H PHE 35 H PHE 35 8.645 -2.060 1.926 285 HA PHE 35 HA PHE 35 10.429 0.285 1.885 286 1HB PHE 35 HB2 PHE 35 8.564 -0.060 -0.093 287 2HB PHE 35 HB3 PHE 35 7.591 0.635 1.137 288 HD1 PHE 35 HD1 PHE 35 7.236 2.957 0.823 289 HD2 PHE 35 HD2 PHE 35 11.136 1.297 -0.038 290 HE1 PHE 35 HE1 PHE 35 8.060 5.199 0.155 291 HE2 PHE 35 HE2 PHE 35 11.938 3.513 -0.699 292 HZ PHE 35 HZ PHE 35 10.393 5.473 -0.675 293 H LEU 36 H LEU 36 8.876 -1.746 3.880 294 HA LEU 36 HA LEU 36 7.089 -0.047 5.271 295 1HB LEU 36 HB2 LEU 36 8.733 -2.411 6.283 296 2HB LEU 36 HB3 LEU 36 7.393 -1.681 7.161 297 HG LEU 36 HG LEU 36 7.064 -2.832 4.369 298 1HD1 LEU 36 HD11 LEU 36 6.670 -4.184 7.064 299 2HD1 LEU 36 HD12 LEU 36 6.080 -4.814 5.508 300 3HD1 LEU 36 HD13 LEU 36 7.820 -4.637 5.786 301 1HD2 LEU 36 HD21 LEU 36 4.906 -2.287 4.533 302 2HD2 LEU 36 HD22 LEU 36 4.776 -2.794 6.235 303 3HD2 LEU 36 HD23 LEU 36 5.353 -1.181 5.830 304 H GLU 37 H GLU 37 10.393 -0.968 6.314 305 HA GLU 37 HA GLU 37 10.591 1.036 8.296 306 1HB GLU 37 HB2 GLU 37 12.211 -1.113 7.318 307 2HB GLU 37 HB3 GLU 37 13.205 0.342 7.189 308 1HG GLU 37 HG2 GLU 37 12.734 0.831 9.588 309 2HG GLU 37 HG3 GLU 37 11.756 -0.649 9.683 310 H GLU 38 H GLU 38 11.321 1.093 4.836 311 HA GLU 38 HA GLU 38 12.760 3.563 4.768 312 1HB GLU 38 HB2 GLU 38 11.132 2.141 2.654 313 2HB GLU 38 HB3 GLU 38 12.233 3.444 2.338 314 1HG GLU 38 HG2 GLU 38 13.784 1.573 3.818 315 2HG GLU 38 HG3 GLU 38 12.842 0.606 2.671 316 H HIS 39 HN HIS 39 9.302 2.721 4.361 317 HA HIS 39 HA HIS 39 8.419 5.176 3.363 318 1HB HIS 39 HB2 HIS 39 7.014 3.272 3.218 319 2HB HIS 39 HB3 HIS 39 7.004 3.053 4.973 320 HD1 HIS 39 HND HIS 39 5.088 4.155 6.234 321 HD2 HIS 39 HD HIS 39 5.652 5.625 2.335 322 HE1 HIS 39 HE HIS 39 3.131 5.665 5.761 323 HA PRO 40 HA PRO 40 9.136 7.418 7.223 324 1HB PRO 40 HB2 PRO 40 8.608 9.965 6.397 325 2HB PRO 40 HB3 PRO 40 10.056 9.050 5.897 326 1HG PRO 40 HG2 PRO 40 7.491 9.433 4.367 327 2HG PRO 40 HG3 PRO 40 9.166 9.584 3.758 328 1HD PRO 40 HD2 PRO 40 7.609 7.332 3.445 329 2HD PRO 40 HD3 PRO 40 9.393 7.261 3.581 330 H GLY 41 H GLY 41 7.219 6.019 7.809 331 1HA GLY 41 HA1 GLY 41 5.192 7.744 9.066 332 2HA GLY 41 HA2 GLY 41 4.573 6.618 7.850 333 H GLY 42 H GLY 42 7.388 5.800 9.822 334 1HA GLY 42 HA1 GLY 42 7.801 4.161 11.344 335 2HA GLY 42 HA2 GLY 42 6.303 4.696 12.107 336 H GLU 43 H GLU 43 7.819 2.250 10.097 337 HA GLU 43 HA GLU 43 5.801 0.785 9.013 338 1HB GLU 43 HB2 GLU 43 7.143 -1.186 9.335 339 2HB GLU 43 HB3 GLU 43 8.044 0.184 8.691 340 1HG GLU 43 HG2 GLU 43 9.586 -0.012 10.294 341 2HG GLU 43 HG3 GLU 43 8.379 0.207 11.559 342 H ALA 44 H ALA 44 3.923 0.546 9.921 343 HA ALA 44 HA ALA 44 3.189 -1.407 11.801 344 1HB ALA 44 HB1 ALA 44 4.096 -0.115 13.639 345 2HB ALA 44 HB2 ALA 44 3.513 1.412 12.942 346 3HB ALA 44 HB3 ALA 44 2.366 0.232 13.613 347 H VAL 45 H VAL 45 2.297 2.074 11.216 348 HA VAL 45 HA VAL 45 -0.409 1.346 10.744 349 HB VAL 45 HB VAL 45 0.341 3.601 11.436 350 1HG1 VAL 45 HG11 VAL 45 0.846 4.108 8.472 351 2HG1 VAL 45 HG12 VAL 45 1.025 5.238 9.827 352 3HG1 VAL 45 HG13 VAL 45 2.136 3.865 9.675 353 1HG2 VAL 45 HG21 VAL 45 -1.538 3.397 9.047 354 2HG2 VAL 45 HG22 VAL 45 -1.959 3.159 10.750 355 3HG2 VAL 45 HG23 VAL 45 -1.461 4.759 10.177 356 H LEU 46 H LEU 46 2.334 1.953 8.189 357 HA LEU 46 HA LEU 46 0.479 1.302 6.144 358 1HB LEU 46 HB2 LEU 46 2.511 2.481 5.721 359 2HB LEU 46 HB3 LEU 46 3.491 1.243 6.525 360 HG LEU 46 HG LEU 46 3.001 -0.337 4.759 361 1HD1 LEU 46 HD11 LEU 46 1.706 2.034 3.299 362 2HD1 LEU 46 HD12 LEU 46 1.970 0.402 2.647 363 3HD1 LEU 46 HD13 LEU 46 0.810 0.659 3.961 364 1HD2 LEU 46 HD21 LEU 46 4.467 0.675 3.083 365 2HD2 LEU 46 HD22 LEU 46 4.099 2.299 3.696 366 3HD2 LEU 46 HD23 LEU 46 5.007 1.151 4.701 367 H ARG 47 H ARG 47 1.862 -0.814 8.557 368 HA ARG 47 HA ARG 47 1.530 -3.215 6.877 369 1HB ARG 47 HB2 ARG 47 3.486 -3.020 8.236 370 2HB ARG 47 HB3 ARG 47 2.546 -2.859 9.714 371 1HG ARG 47 HG2 ARG 47 2.210 -5.279 7.892 372 2HG ARG 47 HG3 ARG 47 3.583 -5.163 8.993 373 1HD ARG 47 HD2 ARG 47 2.404 -5.765 10.767 374 2HD ARG 47 HD3 ARG 47 1.198 -4.499 10.482 375 HE ARG 47 HE ARG 47 0.728 -6.682 8.687 376 1HH1 ARG 47 HH11 ARG 47 -1.850 -8.094 10.650 377 2HH1 ARG 47 HH12 ARG 47 -0.985 -8.204 9.159 378 1HH2 ARG 47 HH21 ARG 47 -1.021 -6.685 12.361 379 2HH2 ARG 47 HH22 ARG 47 0.370 -5.692 12.042 380 H ALA 48 H ALA 48 -0.117 -1.527 9.539 381 HA ALA 48 HA ALA 48 -1.792 -3.715 10.317 382 1HB ALA 48 HB1 ALA 48 -1.244 -1.710 11.732 383 2HB ALA 48 HB2 ALA 48 -2.286 -0.728 10.678 384 3HB ALA 48 HB3 ALA 48 -2.981 -2.061 11.625 385 H GLN 49 H GLN 49 -2.165 -0.985 8.069 386 HA GLN 49 HA GLN 49 -4.880 -1.783 7.309 387 1HB GLN 49 HB2 GLN 49 -2.944 0.443 6.812 388 2HB GLN 49 HB3 GLN 49 -4.026 0.150 5.493 389 1HG GLN 49 HG2 GLN 49 -4.960 0.630 8.361 390 2HG GLN 49 HG3 GLN 49 -4.819 1.874 7.108 391 1HE2 GLN 49 HE21 GLN 49 -7.036 2.452 7.006 392 2HE2 GLN 49 HE22 GLN 49 -8.217 1.313 6.359 393 H ALA 50 H ALA 50 -1.767 -2.799 6.500 394 HA ALA 50 HA ALA 50 -1.922 -3.199 3.749 395 1HB ALA 50 HB1 ALA 50 -0.240 -4.889 4.024 396 2HB ALA 50 HB2 ALA 50 0.063 -3.617 5.233 397 3HB ALA 50 HB3 ALA 50 -0.672 -5.160 5.716 398 H GLY 51 H GLY 51 -2.408 -5.102 2.519 399 1HA GLY 51 HA1 GLY 51 -3.764 -6.768 1.771 400 2HA GLY 51 HA2 GLY 51 -3.778 -7.402 3.421 401 H GLY 52 H GLY 52 -5.015 -4.373 1.853 402 1HA GLY 52 HA1 GLY 52 -7.754 -4.981 1.958 403 2HA GLY 52 HA2 GLY 52 -7.306 -4.195 3.491 404 H ASP 53 H ASP 53 -8.877 -2.584 2.533 405 HA ASP 53 HA ASP 53 -7.857 -0.754 0.481 406 1HB ASP 53 HB2 ASP 53 -10.287 -1.116 0.754 407 2HB ASP 53 HB3 ASP 53 -10.195 -0.522 2.423 408 H ALA 54 H ALA 54 -6.521 0.918 0.937 409 HA ALA 54 HA ALA 54 -6.724 2.176 3.620 410 1HB ALA 54 HB1 ALA 54 -3.955 2.306 2.677 411 2HB ALA 54 HB2 ALA 54 -4.607 1.930 4.263 412 3HB ALA 54 HB3 ALA 54 -4.437 0.646 3.045 413 H THR 55 H THR 55 -7.985 2.681 1.105 414 HA THR 55 HA THR 55 -6.454 4.659 -0.367 415 HB THR 55 HB THR 55 -9.454 4.052 -0.396 416 HG1 THR 55 HG1 THR 55 -7.979 2.303 -1.023 417 1HG2 THR 55 HG21 THR 55 -9.282 5.095 -2.663 418 2HG2 THR 55 HG22 THR 55 -8.825 6.272 -1.410 419 3HG2 THR 55 HG23 THR 55 -7.564 5.431 -2.339 420 H ALA 56 H ALA 56 -9.142 4.785 1.989 421 HA ALA 56 HA ALA 56 -9.236 7.602 2.344 422 1HB ALA 56 HB1 ALA 56 -10.317 7.081 4.493 423 2HB ALA 56 HB2 ALA 56 -10.994 6.141 3.151 424 3HB ALA 56 HB3 ALA 56 -9.878 5.369 4.304 425 H ASN 57 H ASN 57 -7.013 5.163 3.638 426 HA ASN 57 HA ASN 57 -6.065 6.886 5.770 427 1HB ASN 57 HB2 ASN 57 -5.914 4.105 5.133 428 2HB ASN 57 HB3 ASN 57 -4.258 4.669 5.027 429 1HD2 ASN 57 HD21 ASN 57 -7.177 4.847 7.136 430 2HD2 ASN 57 HD22 ASN 57 -6.269 4.755 8.638 431 H PHE 58 H PHE 58 -4.888 5.774 2.643 432 HA PHE 58 HA PHE 58 -2.413 7.164 2.502 433 1HB PHE 58 HB2 PHE 58 -2.979 5.407 0.983 434 2HB PHE 58 HB3 PHE 58 -4.432 6.232 0.452 435 HD1 PHE 58 HD1 PHE 58 -4.387 7.213 -1.647 436 HD2 PHE 58 HD2 PHE 58 -0.693 6.810 0.543 437 HE1 PHE 58 HE1 PHE 58 -3.140 8.070 -3.595 438 HE2 PHE 58 HE2 PHE 58 0.540 7.805 -1.361 439 HZ PHE 58 HZ PHE 58 -0.674 8.411 -3.451 440 H GLU 59 H GLU 59 -5.696 8.105 1.272 441 HA GLU 59 HA GLU 59 -4.790 10.681 0.448 442 1HB GLU 59 HB2 GLU 59 -7.040 11.144 -0.135 443 2HB GLU 59 HB3 GLU 59 -6.644 9.470 -0.552 444 1HG GLU 59 HG2 GLU 59 -8.679 9.080 0.392 445 2HG GLU 59 HG3 GLU 59 -7.681 9.008 1.848 446 H ALA 60 H ALA 60 -6.345 9.556 3.473 447 HA ALA 60 HA ALA 60 -6.847 11.891 4.766 448 1HB ALA 60 HB1 ALA 60 -7.301 9.944 5.991 449 2HB ALA 60 HB2 ALA 60 -5.654 9.315 5.826 450 3HB ALA 60 HB3 ALA 60 -5.972 10.685 6.897 451 H VAL 61 H VAL 61 -3.564 10.464 4.451 452 HA VAL 61 HA VAL 61 -2.240 12.645 5.841 453 HB VAL 61 HB VAL 61 -1.171 10.694 3.766 454 1HG1 VAL 61 HG11 VAL 61 1.034 11.221 4.567 455 2HG1 VAL 61 HG12 VAL 61 0.278 12.768 4.184 456 3HG1 VAL 61 HG13 VAL 61 0.384 12.237 5.869 457 1HG2 VAL 61 HG21 VAL 61 -0.267 9.545 5.828 458 2HG2 VAL 61 HG22 VAL 61 -1.322 10.577 6.806 459 3HG2 VAL 61 HG23 VAL 61 -2.016 9.424 5.643 460 H GLY 62 H GLY 62 -2.795 11.842 2.398 461 1HA GLY 62 HA1 GLY 62 -3.538 13.698 0.951 462 2HA GLY 62 HA2 GLY 62 -2.245 14.703 1.620 463 H HIS 63 HN HIS 63 -0.058 13.413 1.642 464 HA HIS 63 HA HIS 63 1.723 12.647 0.531 465 1HB HIS 63 HB2 HIS 63 -0.334 10.980 -0.973 466 2HB HIS 63 HB3 HIS 63 1.381 10.855 -1.218 467 HD1 HIS 63 HND HIS 63 -1.262 9.889 1.395 468 HD2 HIS 63 HD HIS 63 2.852 9.650 0.599 469 HE1 HIS 63 HE HIS 63 -0.320 8.172 3.004 470 H SER 64 H SER 64 3.053 13.806 -0.793 471 HA SER 64 HA SER 64 1.890 15.877 -2.391 472 1HB SER 64 HB2 SER 64 4.191 16.584 -2.721 473 2HB SER 64 HB3 SER 64 4.001 16.065 -1.044 474 HG SER 64 HG SER 64 5.881 15.195 -2.221 475 H THR 65 H THR 65 3.326 16.267 -4.640 476 HA THR 65 HA THR 65 2.322 14.565 -6.669 477 HB THR 65 HB THR 65 4.273 15.787 -7.906 478 HG1 THR 65 HG1 THR 65 5.224 17.417 -6.691 479 1HG2 THR 65 HG21 THR 65 2.154 17.417 -6.414 480 2HG2 THR 65 HG22 THR 65 3.060 17.960 -7.841 481 3HG2 THR 65 HG23 THR 65 1.936 16.595 -7.974 482 H ASP 66 H ASP 66 5.582 14.904 -5.280 483 HA ASP 66 HA ASP 66 6.901 12.873 -6.593 484 1HB ASP 66 HB2 ASP 66 7.656 14.566 -4.666 485 2HB ASP 66 HB3 ASP 66 7.372 13.188 -3.604 486 H ALA 67 H ALA 67 5.055 12.568 -3.589 487 HA ALA 67 HA ALA 67 5.325 9.733 -3.281 488 1HB ALA 67 HB1 ALA 67 3.173 11.603 -2.271 489 2HB ALA 67 HB2 ALA 67 3.452 9.933 -1.709 490 3HB ALA 67 HB3 ALA 67 4.677 11.192 -1.430 491 H ARG 68 H ARG 68 2.789 11.716 -4.860 492 HA ARG 68 HA ARG 68 1.004 9.615 -5.583 493 1HB ARG 68 HB2 ARG 68 1.477 12.448 -6.378 494 2HB ARG 68 HB3 ARG 68 0.919 11.446 -7.691 495 1HG ARG 68 HG2 ARG 68 -1.113 11.885 -7.041 496 2HG ARG 68 HG3 ARG 68 -0.902 10.733 -5.734 497 1HD ARG 68 HD2 ARG 68 -0.331 12.481 -4.171 498 2HD ARG 68 HD3 ARG 68 -0.181 13.700 -5.421 499 HE ARG 68 HE ARG 68 -2.560 12.878 -4.063 500 1HH1 ARG 68 HH11 ARG 68 -4.790 14.532 -6.267 501 2HH1 ARG 68 HH12 ARG 68 -4.635 13.723 -4.743 502 1HH2 ARG 68 HH21 ARG 68 -2.899 14.740 -7.688 503 2HH2 ARG 68 HH22 ARG 68 -1.392 14.054 -7.159 504 H GLU 69 H GLU 69 3.994 10.820 -7.089 505 HA GLU 69 HA GLU 69 3.670 9.141 -9.490 506 1HB GLU 69 HB2 GLU 69 5.501 11.223 -8.457 507 2HB GLU 69 HB3 GLU 69 6.247 10.063 -9.552 508 1HG GLU 69 HG2 GLU 69 3.584 11.295 -10.334 509 2HG GLU 69 HG3 GLU 69 5.059 12.255 -10.465 510 H LEU 70 H LEU 70 5.569 9.129 -6.504 511 HA LEU 70 HA LEU 70 7.176 6.937 -7.035 512 1HB LEU 70 HB2 LEU 70 7.370 8.562 -5.168 513 2HB LEU 70 HB3 LEU 70 5.966 7.812 -4.424 514 HG LEU 70 HG LEU 70 7.312 6.461 -3.320 515 1HD1 LEU 70 HD11 LEU 70 8.294 5.377 -5.939 516 2HD1 LEU 70 HD12 LEU 70 8.760 4.748 -4.351 517 3HD1 LEU 70 HD13 LEU 70 7.053 4.772 -4.798 518 1HD2 LEU 70 HD21 LEU 70 9.711 6.659 -3.337 519 2HD2 LEU 70 HD22 LEU 70 9.644 7.573 -4.868 520 3HD2 LEU 70 HD23 LEU 70 8.916 8.242 -3.379 521 H SER 71 H SER 71 3.968 7.065 -5.401 522 HA SER 71 HA SER 71 3.426 4.386 -5.009 523 1HB SER 71 HB2 SER 71 1.134 4.806 -5.123 524 2HB SER 71 HB3 SER 71 1.870 6.291 -4.490 525 HG SER 71 HG SER 71 1.595 7.182 -6.589 526 H LYS 72 H LYS 72 2.840 6.096 -8.155 527 HA LYS 72 HA LYS 72 2.162 3.842 -9.678 528 1HB LYS 72 HB2 LYS 72 3.620 6.394 -10.489 529 2HB LYS 72 HB3 LYS 72 3.171 5.138 -11.610 530 1HG LYS 72 HG2 LYS 72 0.854 5.767 -9.954 531 2HG LYS 72 HG3 LYS 72 1.571 7.275 -10.549 532 1HD LYS 72 HD2 LYS 72 1.636 6.383 -12.840 533 2HD LYS 72 HD3 LYS 72 0.953 4.836 -12.285 534 1HE LYS 72 HE2 LYS 72 -1.143 5.955 -11.650 535 2HE LYS 72 HE3 LYS 72 -0.461 7.538 -12.063 536 1HZ LYS 72 HZ1 LYS 72 -0.278 6.861 -14.327 537 2HZ LYS 72 HZ2 LYS 72 -0.830 5.352 -14.007 538 3HZ LYS 72 HZ3 LYS 72 -1.832 6.658 -13.846 539 H THR 73 H THR 73 5.451 5.053 -8.904 540 HA THR 73 HA THR 73 6.864 3.070 -10.422 541 HB THR 73 HB THR 73 7.550 5.057 -8.300 542 HG1 THR 73 HG1 THR 73 8.782 4.300 -10.714 543 1HG2 THR 73 HG21 THR 73 8.711 3.148 -7.328 544 2HG2 THR 73 HG22 THR 73 9.445 2.765 -8.905 545 3HG2 THR 73 HG23 THR 73 9.843 4.281 -8.069 546 H PHE 74 H PHE 74 5.160 2.836 -7.425 547 HA PHE 74 HA PHE 74 6.297 0.115 -6.893 548 1HB PHE 74 HB2 PHE 74 4.669 2.061 -5.222 549 2HB PHE 74 HB3 PHE 74 4.723 0.355 -4.810 550 HD1 PHE 74 HD1 PHE 74 7.299 -0.664 -5.026 551 HD2 PHE 74 HD2 PHE 74 5.949 3.148 -3.549 552 HE1 PHE 74 HE1 PHE 74 9.419 -0.401 -3.783 553 HE2 PHE 74 HE2 PHE 74 8.070 3.400 -2.293 554 HZ PHE 74 HZ PHE 74 9.818 1.641 -2.437 555 H ILE 75 H ILE 75 3.906 1.402 -8.817 556 HA ILE 75 HA ILE 75 1.663 -0.136 -8.013 557 HB ILE 75 HB ILE 75 1.937 1.740 -9.819 558 1HG1 ILE 75 HG12 ILE 75 -0.102 -0.466 -9.687 559 2HG1 ILE 75 HG13 ILE 75 -0.097 1.128 -8.907 560 1HG2 ILE 75 HG21 ILE 75 1.803 -0.721 -11.583 561 2HG2 ILE 75 HG22 ILE 75 1.817 0.983 -12.104 562 3HG2 ILE 75 HG23 ILE 75 3.267 0.284 -11.397 563 1HD1 ILE 75 HD11 ILE 75 -0.431 0.582 -11.846 564 2HD1 ILE 75 HD12 ILE 75 -1.596 1.277 -10.706 565 3HD1 ILE 75 HD13 ILE 75 -0.123 2.199 -11.132 566 H ILE 76 H ILE 76 1.282 -2.283 -8.062 567 HA ILE 76 HA ILE 76 3.121 -4.029 -9.695 568 HB ILE 76 HB ILE 76 2.264 -5.828 -8.148 569 1HG1 ILE 76 HG12 ILE 76 1.554 -3.475 -6.338 570 2HG1 ILE 76 HG13 ILE 76 0.354 -4.380 -7.266 571 1HG2 ILE 76 HG21 ILE 76 3.856 -3.705 -6.667 572 2HG2 ILE 76 HG22 ILE 76 4.067 -5.469 -6.662 573 3HG2 ILE 76 HG23 ILE 76 4.536 -4.534 -8.073 574 1HD1 ILE 76 HD11 ILE 76 2.189 -6.030 -5.613 575 2HD1 ILE 76 HD12 ILE 76 1.103 -4.962 -4.720 576 3HD1 ILE 76 HD13 ILE 76 0.440 -6.158 -5.865 577 H GLY 77 H GLY 77 -0.044 -2.757 -9.604 578 1HA GLY 77 HA1 GLY 77 -0.897 -3.613 -12.017 579 2HA GLY 77 HA2 GLY 77 -1.370 -4.959 -10.951 580 H GLU 78 H GLU 78 -3.550 -4.600 -10.901 581 HA GLU 78 HA GLU 78 -4.543 -2.211 -9.524 582 1HB GLU 78 HB2 GLU 78 -4.899 -2.786 -12.408 583 2HB GLU 78 HB3 GLU 78 -6.416 -2.538 -11.561 584 1HG GLU 78 HG2 GLU 78 -5.701 -0.352 -10.832 585 2HG GLU 78 HG3 GLU 78 -4.032 -0.665 -11.363 586 H LEU 79 H LEU 79 -6.834 -2.509 -9.087 587 HA LEU 79 HA LEU 79 -7.244 -4.926 -7.582 588 1HB LEU 79 HB2 LEU 79 -8.148 -2.743 -6.901 589 2HB LEU 79 HB3 LEU 79 -9.030 -2.634 -8.426 590 HG LEU 79 HG LEU 79 -10.207 -4.850 -7.647 591 1HD1 LEU 79 HD11 LEU 79 -9.736 -5.683 -5.628 592 2HD1 LEU 79 HD12 LEU 79 -8.454 -4.491 -5.434 593 3HD1 LEU 79 HD13 LEU 79 -10.086 -4.134 -4.850 594 1HD2 LEU 79 HD21 LEU 79 -11.140 -2.560 -6.024 595 2HD2 LEU 79 HD22 LEU 79 -11.081 -2.387 -7.796 596 3HD2 LEU 79 HD23 LEU 79 -11.995 -3.696 -7.084 597 H HIS 80 H HIS 80 -8.227 -6.802 -8.205 598 HA HIS 80 HA HIS 80 -8.771 -7.496 -10.830 599 1HB HIS 80 HB2 HIS 80 -8.486 -8.904 -8.701 600 2HB HIS 80 HB3 HIS 80 -10.242 -8.815 -8.547 601 HD1 HIS 80 HD1 HIS 80 -11.481 -10.589 -10.146 602 HD2 HIS 80 HD2 HIS 80 -7.355 -10.164 -10.780 603 HE1 HIS 80 HE1 HIS 80 -10.826 -12.390 -11.796 604 HA PRO 81 HA PRO 81 -12.685 -5.775 -11.796 605 1HB PRO 81 HB2 PRO 81 -13.404 -7.229 -14.002 606 2HB PRO 81 HB3 PRO 81 -12.169 -5.938 -13.981 607 1HG PRO 81 HG2 PRO 81 -11.730 -8.922 -13.831 608 2HG PRO 81 HG3 PRO 81 -10.819 -7.711 -14.786 609 1HD PRO 81 HD2 PRO 81 -9.945 -8.696 -12.424 610 2HD PRO 81 HD3 PRO 81 -9.611 -7.011 -12.924 611 H ASP 82 H ASP 82 -12.280 -8.880 -10.522 612 HA ASP 82 HA ASP 82 -15.133 -9.587 -10.432 613 1HB ASP 82 HB2 ASP 82 -13.249 -11.281 -10.641 614 2HB ASP 82 HB3 ASP 82 -12.841 -10.888 -8.929 615 H ASP 83 H ASP 83 -12.823 -7.728 -8.590 616 HA ASP 83 HA ASP 83 -14.174 -7.958 -5.995 617 1HB ASP 83 HB2 ASP 83 -11.802 -7.672 -5.986 618 2HB ASP 83 HB3 ASP 83 -11.902 -6.277 -7.073 619 H ARG 84 H ARG 84 -13.717 -5.529 -8.534 620 HA ARG 84 HA ARG 84 -15.386 -3.529 -7.343 621 1HB ARG 84 HB2 ARG 84 -15.056 -2.296 -9.388 622 2HB ARG 84 HB3 ARG 84 -13.535 -3.081 -8.933 623 1HG ARG 84 HG2 ARG 84 -14.237 -4.982 -10.544 624 2HG ARG 84 HG3 ARG 84 -15.538 -3.937 -11.080 625 1HD ARG 84 HD2 ARG 84 -13.684 -3.732 -12.625 626 2HD ARG 84 HD3 ARG 84 -13.984 -2.207 -11.761 627 HE ARG 84 HE ARG 84 -11.956 -3.878 -10.479 628 1HH1 ARG 84 HH11 ARG 84 -9.317 -1.725 -11.469 629 2HH1 ARG 84 HH12 ARG 84 -9.701 -3.198 -10.638 630 1HH2 ARG 84 HH21 ARG 84 -10.863 -0.897 -13.044 631 2HH2 ARG 84 HH22 ARG 84 -12.472 -1.561 -13.082 632 HHA HEM 201 HGM HEM 201 4.768 10.777 5.114 633 HHB HEM 201 HDM HEM 201 5.700 7.875 -0.570 634 HHC HEM 201 HAM HEM 201 0.743 3.967 0.621 635 HHD HEM 201 HBM HEM 201 0.095 6.544 6.520 636 1HMA HEM 201 HM81 HEM 201 7.029 11.304 0.302 637 2HMA HEM 201 HM82 HEM 201 7.915 9.774 0.471 638 3HMA HEM 201 HM83 HEM 201 6.565 9.927 -0.669 639 1HAA HEM 201 HAA1 HEM 201 6.672 11.771 3.982 640 2HAA HEM 201 HAA2 HEM 201 6.989 12.126 2.300 641 1HBA HEM 201 HBA1 HEM 201 4.474 12.735 3.883 642 2HBA HEM 201 HBA2 HEM 201 4.454 12.681 2.116 643 1HMB HEM 201 HM11 HEM 201 4.270 5.277 -3.004 644 2HMB HEM 201 HM12 HEM 201 4.863 6.894 -2.599 645 3HMB HEM 201 HM13 HEM 201 5.730 5.458 -2.013 646 HAB HEM 201 HT2A HEM 201 2.260 3.008 -1.388 647 1HBB HEM 201 HV2C HEM 201 0.863 5.394 -2.529 648 2HBB HEM 201 HV2T HEM 201 0.667 3.568 -2.908 649 1HMC HEM 201 HM31 HEM 201 -1.389 2.489 3.276 650 2HMC HEM 201 HM32 HEM 201 -2.182 3.731 2.303 651 3HMC HEM 201 HM33 HEM 201 -0.793 2.828 1.664 652 HAC HEM 201 HT4A HEM 201 -2.027 5.405 5.875 653 1HBC HEM 201 HV4C HEM 201 -1.204 2.494 5.444 654 2HBC HEM 201 HV4T HEM 201 -2.199 3.207 6.835 655 1HMD HEM 201 HM51 HEM 201 0.992 7.293 8.457 656 2HMD HEM 201 HM52 HEM 201 2.002 8.579 9.104 657 3HMD HEM 201 HM53 HEM 201 0.427 8.979 8.393 658 1HAD HEM 201 HAD1 HEM 201 3.900 9.803 8.518 659 2HAD HEM 201 HAD2 HEM 201 4.447 10.850 7.248 660 1HBD HEM 201 HBD1 HEM 201 1.608 11.314 7.757 661 2HBD HEM 201 HBD2 HEM 201 2.557 11.448 9.245 Start of MODEL 4 1 1H ALA 3 H1 ALA 3 3.323 -6.136 -17.609 2 2H ALA 3 H2 ALA 3 3.777 -7.685 -17.816 3 3H ALA 3 H3 ALA 3 3.974 -6.611 -19.071 4 HA ALA 3 HA ALA 3 1.801 -6.634 -19.642 5 1HB ALA 3 HB1 ALA 3 2.005 -9.229 -18.026 6 2HB ALA 3 HB2 ALA 3 0.793 -8.878 -19.271 7 3HB ALA 3 HB3 ALA 3 2.504 -9.034 -19.721 8 H VAL 4 H VAL 4 -0.491 -6.382 -18.895 9 HA VAL 4 HA VAL 4 -0.576 -5.259 -16.182 10 HB VAL 4 HB VAL 4 -2.754 -5.566 -18.291 11 1HG1 VAL 4 HG11 VAL 4 -3.766 -5.462 -16.069 12 2HG1 VAL 4 HG12 VAL 4 -2.703 -4.121 -15.596 13 3HG1 VAL 4 HG13 VAL 4 -3.942 -3.881 -16.840 14 1HG2 VAL 4 HG21 VAL 4 -0.960 -3.976 -18.959 15 2HG2 VAL 4 HG22 VAL 4 -2.448 -3.113 -18.546 16 3HG2 VAL 4 HG23 VAL 4 -1.104 -3.161 -17.385 17 H LYS 5 H LYS 5 -1.629 -6.216 -14.443 18 HA LYS 5 HA LYS 5 -3.085 -8.696 -14.759 19 1HB LYS 5 HB2 LYS 5 -0.685 -9.402 -14.676 20 2HB LYS 5 HB3 LYS 5 -0.511 -8.618 -13.106 21 1HG LYS 5 HG2 LYS 5 -1.551 -10.300 -11.995 22 2HG LYS 5 HG3 LYS 5 -2.787 -10.557 -13.227 23 1HD LYS 5 HD2 LYS 5 0.114 -11.386 -13.619 24 2HD LYS 5 HD3 LYS 5 -1.067 -12.450 -12.866 25 1HE LYS 5 HE2 LYS 5 -2.091 -11.303 -15.408 26 2HE LYS 5 HE3 LYS 5 -0.559 -12.140 -15.649 27 1HZ LYS 5 HZ1 LYS 5 -2.432 -13.598 -15.911 28 2HZ LYS 5 HZ2 LYS 5 -1.508 -14.090 -14.646 29 3HZ LYS 5 HZ3 LYS 5 -2.939 -13.320 -14.372 30 H TYR 6 H TYR 6 -4.427 -9.009 -12.906 31 HA TYR 6 HA TYR 6 -4.551 -6.687 -11.109 32 1HB TYR 6 HB2 TYR 6 -6.864 -8.388 -12.087 33 2HB TYR 6 HB3 TYR 6 -6.873 -6.858 -11.208 34 HD1 TYR 6 HD1 TYR 6 -6.184 -8.446 -14.512 35 HD2 TYR 6 HD2 TYR 6 -6.955 -4.784 -12.388 36 HE1 TYR 6 HE1 TYR 6 -6.243 -7.211 -16.662 37 HE2 TYR 6 HE2 TYR 6 -6.952 -3.535 -14.529 38 HH TYR 6 HH TYR 6 -6.548 -3.658 -16.789 39 H TYR 7 H TYR 7 -5.322 -7.235 -8.925 40 HA TYR 7 HA TYR 7 -5.089 -10.142 -8.233 41 1HB TYR 7 HB2 TYR 7 -4.159 -7.841 -6.515 42 2HB TYR 7 HB3 TYR 7 -3.911 -9.561 -6.247 43 HD1 TYR 7 HD1 TYR 7 -2.696 -6.530 -7.824 44 HD2 TYR 7 HD2 TYR 7 -2.336 -10.822 -7.881 45 HE1 TYR 7 HE1 TYR 7 -0.603 -6.327 -9.071 46 HE2 TYR 7 HE2 TYR 7 -0.246 -10.616 -9.215 47 HH TYR 7 HH TYR 7 1.057 -7.415 -10.215 48 H THR 8 H THR 8 -6.553 -10.877 -6.710 49 HA THR 8 HA THR 8 -9.019 -9.340 -6.450 50 HB THR 8 HB THR 8 -9.903 -11.307 -5.433 51 HG1 THR 8 HG1 THR 8 -7.737 -12.947 -5.341 52 1HG2 THR 8 HG21 THR 8 -9.327 -11.375 -7.944 53 2HG2 THR 8 HG22 THR 8 -7.990 -12.459 -7.499 54 3HG2 THR 8 HG23 THR 8 -9.667 -12.916 -7.142 55 H LEU 9 H LEU 9 -10.020 -8.866 -4.319 56 HA LEU 9 HA LEU 9 -8.349 -7.624 -2.469 57 1HB LEU 9 HB2 LEU 9 -11.096 -8.020 -2.787 58 2HB LEU 9 HB3 LEU 9 -10.783 -8.821 -1.276 59 HG LEU 9 HG LEU 9 -10.054 -5.948 -1.991 60 1HD1 LEU 9 HD11 LEU 9 -12.545 -6.708 -1.383 61 2HD1 LEU 9 HD12 LEU 9 -11.928 -6.642 0.267 62 3HD1 LEU 9 HD13 LEU 9 -11.852 -5.200 -0.767 63 1HD2 LEU 9 HD21 LEU 9 -8.381 -6.817 -0.362 64 2HD2 LEU 9 HD22 LEU 9 -9.465 -5.657 0.412 65 3HD2 LEU 9 HD23 LEU 9 -9.700 -7.396 0.676 66 H GLU 10 H GLU 10 -9.533 -10.967 -2.632 67 HA GLU 10 HA GLU 10 -8.565 -11.967 -0.191 68 1HB GLU 10 HB2 GLU 10 -10.083 -13.110 -1.890 69 2HB GLU 10 HB3 GLU 10 -8.634 -13.518 -2.797 70 1HG GLU 10 HG2 GLU 10 -9.159 -15.408 -1.436 71 2HG GLU 10 HG3 GLU 10 -7.724 -14.659 -0.729 72 H GLU 11 H GLU 11 -6.985 -12.225 -3.425 73 HA GLU 11 HA GLU 11 -4.539 -13.265 -2.532 74 1HB GLU 11 HB2 GLU 11 -5.497 -11.796 -4.957 75 2HB GLU 11 HB3 GLU 11 -3.775 -11.677 -4.638 76 1HG GLU 11 HG2 GLU 11 -4.216 -13.601 -6.083 77 2HG GLU 11 HG3 GLU 11 -3.568 -14.131 -4.526 78 H ILE 12 H ILE 12 -5.436 -9.814 -2.958 79 HA ILE 12 HA ILE 12 -2.951 -8.799 -2.044 80 HB ILE 12 HB ILE 12 -5.724 -7.546 -1.937 81 1HG1 ILE 12 HG12 ILE 12 -3.600 -6.983 -4.030 82 2HG1 ILE 12 HG13 ILE 12 -4.667 -8.357 -4.243 83 1HG2 ILE 12 HG21 ILE 12 -4.273 -5.392 -2.130 84 2HG2 ILE 12 HG22 ILE 12 -4.332 -6.191 -0.555 85 3HG2 ILE 12 HG23 ILE 12 -2.925 -6.406 -1.622 86 1HD1 ILE 12 HD11 ILE 12 -5.641 -6.483 -5.407 87 2HD1 ILE 12 HD12 ILE 12 -6.659 -6.876 -4.028 88 3HD1 ILE 12 HD13 ILE 12 -5.568 -5.483 -3.958 89 H GLN 13 H GLN 13 -5.928 -9.654 -0.229 90 HA GLN 13 HA GLN 13 -5.095 -8.913 2.375 91 1HB GLN 13 HB2 GLN 13 -7.153 -10.756 1.186 92 2HB GLN 13 HB3 GLN 13 -6.753 -10.954 2.859 93 1HG GLN 13 HG2 GLN 13 -7.238 -8.117 2.051 94 2HG GLN 13 HG3 GLN 13 -8.606 -9.210 1.851 95 1HE2 GLN 13 HE21 GLN 13 -9.901 -8.462 3.539 96 2HE2 GLN 13 HE22 GLN 13 -9.435 -8.648 5.222 97 H LYS 14 H LYS 14 -4.301 -11.860 0.433 98 HA LYS 14 HA LYS 14 -3.213 -13.208 2.733 99 1HB LYS 14 HB2 LYS 14 -2.533 -13.545 -0.215 100 2HB LYS 14 HB3 LYS 14 -1.954 -14.546 1.113 101 1HG LYS 14 HG2 LYS 14 -4.549 -14.785 1.675 102 2HG LYS 14 HG3 LYS 14 -4.738 -14.316 -0.021 103 1HD LYS 14 HD2 LYS 14 -3.158 -16.148 -0.670 104 2HD LYS 14 HD3 LYS 14 -3.043 -16.627 1.043 105 1HE LYS 14 HE2 LYS 14 -5.543 -17.026 1.045 106 2HE LYS 14 HE3 LYS 14 -5.569 -16.626 -0.682 107 1HZ LYS 14 HZ1 LYS 14 -3.948 -18.481 -0.952 108 2HZ LYS 14 HZ2 LYS 14 -4.277 -18.930 0.602 109 3HZ LYS 14 HZ3 LYS 14 -5.472 -18.924 -0.529 110 H HIS 15 H HIS 15 -2.121 -10.305 1.288 111 HA HIS 15 HA HIS 15 0.694 -10.735 2.229 112 1HB HIS 15 HB2 HIS 15 -0.493 -8.976 0.063 113 2HB HIS 15 HB3 HIS 15 1.152 -8.851 0.654 114 HD1 HIS 15 HD1 HIS 15 2.612 -9.847 -1.301 115 HD2 HIS 15 HD2 HIS 15 -0.952 -11.957 -0.586 116 HE1 HIS 15 HE1 HIS 15 2.603 -11.835 -2.878 117 H ASN 16 H ASN 16 -0.522 -10.322 4.381 118 HA ASN 16 HA ASN 16 -0.067 -7.524 5.123 119 1HB ASN 16 HB2 ASN 16 -2.264 -7.176 6.111 120 2HB ASN 16 HB3 ASN 16 -2.324 -7.436 4.360 121 1HD2 ASN 16 HD21 ASN 16 -4.697 -7.631 5.202 122 2HD2 ASN 16 HD22 ASN 16 -5.225 -9.284 5.353 123 H ASN 17 H ASN 17 1.636 -9.043 6.071 124 HA ASN 17 HA ASN 17 0.998 -9.062 8.954 125 1HB ASN 17 HB2 ASN 17 1.348 -11.593 7.393 126 2HB ASN 17 HB3 ASN 17 2.427 -11.464 8.780 127 1HD2 ASN 17 HD21 ASN 17 0.568 -13.516 8.644 128 2HD2 ASN 17 HD22 ASN 17 -0.609 -13.235 9.913 129 H SER 18 H SER 18 3.439 -10.125 6.624 130 HA SER 18 HA SER 18 5.515 -8.307 7.527 131 1HB SER 18 HB2 SER 18 6.913 -10.259 8.452 132 2HB SER 18 HB3 SER 18 5.589 -9.703 9.490 133 HG SER 18 HG SER 18 5.499 -11.944 9.342 134 H LYS 19 H LYS 19 4.990 -11.604 6.351 135 HA LYS 19 HA LYS 19 7.002 -11.876 4.546 136 1HB LYS 19 HB2 LYS 19 5.175 -13.525 5.200 137 2HB LYS 19 HB3 LYS 19 4.156 -12.839 3.933 138 1HG LYS 19 HG2 LYS 19 6.982 -13.803 3.344 139 2HG LYS 19 HG3 LYS 19 5.703 -14.975 3.539 140 1HD LYS 19 HD2 LYS 19 4.863 -12.847 1.652 141 2HD LYS 19 HD3 LYS 19 6.421 -13.522 1.204 142 1HE LYS 19 HE2 LYS 19 4.723 -14.818 0.091 143 2HE LYS 19 HE3 LYS 19 5.480 -15.830 1.324 144 1HZ LYS 19 HZ1 LYS 19 3.563 -15.255 2.762 145 2HZ LYS 19 HZ2 LYS 19 2.856 -14.487 1.491 146 3HZ LYS 19 HZ3 LYS 19 3.144 -16.103 1.417 147 H SER 20 H SER 20 3.881 -10.209 3.876 148 HA SER 20 HA SER 20 5.252 -8.501 2.025 149 1HB SER 20 HB2 SER 20 2.918 -10.201 1.173 150 2HB SER 20 HB3 SER 20 3.502 -8.747 0.318 151 HG SER 20 HG SER 20 5.579 -10.357 0.813 152 H THR 21 H THR 21 4.295 -6.508 1.955 153 HA THR 21 HA THR 21 1.747 -6.045 3.427 154 HB THR 21 HB THR 21 4.285 -4.393 3.358 155 HG1 THR 21 HG1 THR 21 3.899 -6.044 4.959 156 1HG2 THR 21 HG21 THR 21 1.455 -3.477 3.774 157 2HG2 THR 21 HG22 THR 21 2.705 -2.824 4.844 158 3HG2 THR 21 HG23 THR 21 2.836 -2.626 3.090 159 H TRP 22 H TRP 22 0.566 -6.337 1.561 160 HA TRP 22 HA TRP 22 0.974 -4.332 -0.626 161 1HB TRP 22 HB2 TRP 22 -0.667 -6.881 -0.489 162 2HB TRP 22 HB3 TRP 22 -0.702 -5.716 -1.797 163 HD1 TRP 22 HD1 TRP 22 2.841 -6.213 -0.826 164 HE1 TRP 22 HE1 TRP 22 4.034 -7.580 -2.593 165 HE3 TRP 22 HE3 TRP 22 -1.256 -7.930 -3.337 166 HZ2 TRP 22 HZ2 TRP 22 3.297 -9.191 -4.898 167 HZ3 TRP 22 HZ3 TRP 22 -1.003 -9.420 -5.276 168 HH2 TRP 22 HH2 TRP 22 1.280 -9.993 -6.133 169 H LEU 23 H LEU 23 -1.424 -3.639 -1.358 170 HA LEU 23 HA LEU 23 -3.533 -3.526 0.495 171 1HB LEU 23 HB2 LEU 23 -3.216 -1.013 1.075 172 2HB LEU 23 HB3 LEU 23 -2.419 -2.236 2.024 173 HG LEU 23 HG LEU 23 -0.296 -1.832 0.581 174 1HD1 LEU 23 HD11 LEU 23 -1.836 0.671 -0.052 175 2HD1 LEU 23 HD12 LEU 23 -0.148 0.369 -0.459 176 3HD1 LEU 23 HD13 LEU 23 -1.415 -0.565 -1.266 177 1HD2 LEU 23 HD21 LEU 23 0.219 0.246 1.825 178 2HD2 LEU 23 HD22 LEU 23 -1.466 0.250 2.419 179 3HD2 LEU 23 HD23 LEU 23 -0.376 -1.091 2.842 180 H ILE 24 H ILE 24 -5.059 -1.621 -0.211 181 HA ILE 24 HA ILE 24 -4.788 -1.255 -3.173 182 HB ILE 24 HB ILE 24 -7.244 -1.746 -1.483 183 1HG1 ILE 24 HG12 ILE 24 -6.440 -3.246 -3.986 184 2HG1 ILE 24 HG13 ILE 24 -5.620 -3.628 -2.476 185 1HG2 ILE 24 HG21 ILE 24 -6.920 -0.654 -4.295 186 2HG2 ILE 24 HG22 ILE 24 -8.319 -1.661 -3.902 187 3HG2 ILE 24 HG23 ILE 24 -8.053 -0.157 -3.016 188 1HD1 ILE 24 HD11 ILE 24 -8.655 -3.607 -2.634 189 2HD1 ILE 24 HD12 ILE 24 -7.661 -5.062 -2.840 190 3HD1 ILE 24 HD13 ILE 24 -7.631 -4.175 -1.308 191 H LEU 25 H LEU 25 -4.481 0.761 -3.735 192 HA LEU 25 HA LEU 25 -5.662 3.057 -2.208 193 1HB LEU 25 HB2 LEU 25 -2.941 2.639 -3.430 194 2HB LEU 25 HB3 LEU 25 -3.633 4.246 -3.315 195 HG LEU 25 HG LEU 25 -3.275 4.552 -1.201 196 1HD1 LEU 25 HD11 LEU 25 -3.551 1.615 -0.757 197 2HD1 LEU 25 HD12 LEU 25 -3.144 2.794 0.517 198 3HD1 LEU 25 HD13 LEU 25 -4.670 2.929 -0.345 199 1HD2 LEU 25 HD21 LEU 25 -1.180 2.552 -2.116 200 2HD2 LEU 25 HD22 LEU 25 -1.053 4.317 -1.935 201 3HD2 LEU 25 HD23 LEU 25 -1.108 3.265 -0.516 202 H HIS 26 H HIS 26 -7.425 3.336 -3.474 203 HA HIS 26 HA HIS 26 -8.622 4.082 -5.241 204 1HB HIS 26 HB2 HIS 26 -6.076 4.947 -6.624 205 2HB HIS 26 HB3 HIS 26 -7.712 5.557 -6.855 206 HD1 HIS 26 HD1 HIS 26 -8.596 7.294 -4.896 207 HD2 HIS 26 HD2 HIS 26 -4.677 5.827 -4.597 208 HE1 HIS 26 HE1 HIS 26 -7.408 8.752 -3.168 209 H TYR 27 H TYR 27 -8.434 1.492 -5.217 210 HA TYR 27 HA TYR 27 -8.697 -0.406 -6.408 211 1HB TYR 27 HB2 TYR 27 -8.986 1.421 -8.826 212 2HB TYR 27 HB3 TYR 27 -9.576 -0.221 -8.658 213 HD1 TYR 27 HD1 TYR 27 -11.640 -0.711 -7.507 214 HD2 TYR 27 HD2 TYR 27 -10.129 3.314 -7.609 215 HE1 TYR 27 HE1 TYR 27 -13.694 0.070 -6.399 216 HE2 TYR 27 HE2 TYR 27 -12.197 4.105 -6.493 217 HH TYR 27 HH TYR 27 -14.788 1.870 -5.470 218 H LYS 28 H LYS 28 -5.911 0.799 -6.162 219 HA LYS 28 HA LYS 28 -4.564 -0.789 -8.274 220 1HB LYS 28 HB2 LYS 28 -4.100 2.066 -7.419 221 2HB LYS 28 HB3 LYS 28 -2.755 1.081 -8.033 222 1HG LYS 28 HG2 LYS 28 -3.807 0.689 -10.083 223 2HG LYS 28 HG3 LYS 28 -5.387 1.250 -9.495 224 1HD LYS 28 HD2 LYS 28 -4.484 3.582 -9.347 225 2HD LYS 28 HD3 LYS 28 -2.919 2.994 -9.935 226 1HE LYS 28 HE2 LYS 28 -4.111 3.869 -11.873 227 2HE LYS 28 HE3 LYS 28 -4.066 2.108 -12.001 228 1HZ LYS 28 HZ1 LYS 28 -6.373 2.664 -10.644 229 2HZ LYS 28 HZ2 LYS 28 -6.327 3.758 -11.881 230 3HZ LYS 28 HZ3 LYS 28 -6.195 2.137 -12.180 231 H VAL 29 H VAL 29 -2.970 -2.091 -7.613 232 HA VAL 29 HA VAL 29 -2.578 -2.298 -4.711 233 HB VAL 29 HB VAL 29 -1.714 -4.258 -6.851 234 1HG1 VAL 29 HG11 VAL 29 -2.437 -4.659 -3.905 235 2HG1 VAL 29 HG12 VAL 29 -1.735 -5.854 -5.015 236 3HG1 VAL 29 HG13 VAL 29 -0.777 -4.469 -4.474 237 1HG2 VAL 29 HG21 VAL 29 -3.812 -5.473 -6.240 238 2HG2 VAL 29 HG22 VAL 29 -4.363 -4.018 -5.383 239 3HG2 VAL 29 HG23 VAL 29 -4.098 -3.984 -7.142 240 H TYR 30 H TYR 30 -0.655 -2.083 -3.736 241 HA TYR 30 HA TYR 30 1.771 -1.313 -5.301 242 1HB TYR 30 HB2 TYR 30 0.538 -0.038 -2.830 243 2HB TYR 30 HB3 TYR 30 2.119 0.379 -3.459 244 HD1 TYR 30 HD1 TYR 30 2.257 1.439 -5.777 245 HD2 TYR 30 HD2 TYR 30 -1.525 0.659 -3.907 246 HE1 TYR 30 HE1 TYR 30 1.104 2.931 -7.434 247 HE2 TYR 30 HE2 TYR 30 -2.635 2.144 -5.545 248 HH TYR 30 HH TYR 30 -2.346 3.737 -7.138 249 H ASP 31 H ASP 31 3.471 -2.604 -4.677 250 HA ASP 31 HA ASP 31 3.244 -4.120 -2.105 251 1HB ASP 31 HB2 ASP 31 3.858 -5.476 -4.079 252 2HB ASP 31 HB3 ASP 31 5.267 -4.437 -4.355 253 H LEU 32 H LEU 32 4.132 -3.034 -0.401 254 HA LEU 32 HA LEU 32 6.670 -1.566 -0.884 255 1HB LEU 32 HB2 LEU 32 4.801 -0.846 1.313 256 2HB LEU 32 HB3 LEU 32 6.070 0.106 0.624 257 HG LEU 32 HG LEU 32 4.368 -0.241 -1.585 258 1HD1 LEU 32 HD11 LEU 32 2.732 -1.226 0.091 259 2HD1 LEU 32 HD12 LEU 32 2.638 0.378 0.828 260 3HD1 LEU 32 HD13 LEU 32 2.139 0.115 -0.869 261 1HD2 LEU 32 HD21 LEU 32 4.150 2.062 -1.527 262 2HD2 LEU 32 HD22 LEU 32 4.377 2.145 0.253 263 3HD2 LEU 32 HD23 LEU 32 5.715 1.724 -0.833 264 H THR 33 H THR 33 5.974 -4.439 -0.121 265 HA THR 33 HA THR 33 6.381 -4.943 2.577 266 HB THR 33 HB THR 33 5.876 -6.638 0.820 267 HG1 THR 33 HG1 THR 33 7.303 -8.227 1.921 268 1HG2 THR 33 HG21 THR 33 8.811 -6.941 0.278 269 2HG2 THR 33 HG22 THR 33 7.403 -7.767 -0.428 270 3HG2 THR 33 HG23 THR 33 7.690 -6.065 -0.803 271 H LYS 34 H LYS 34 8.885 -4.414 0.103 272 HA LYS 34 HA LYS 34 10.973 -4.606 2.186 273 1HB LYS 34 HB2 LYS 34 10.969 -5.603 -0.298 274 2HB LYS 34 HB3 LYS 34 11.605 -3.995 -0.687 275 1HG LYS 34 HG2 LYS 34 13.284 -4.378 1.231 276 2HG LYS 34 HG3 LYS 34 12.669 -6.046 1.312 277 1HD LYS 34 HD2 LYS 34 13.267 -6.263 -1.167 278 2HD LYS 34 HD3 LYS 34 14.017 -4.658 -1.032 279 1HE LYS 34 HE2 LYS 34 15.187 -5.920 1.121 280 2HE LYS 34 HE3 LYS 34 14.889 -7.326 0.090 281 1HZ LYS 34 HZ1 LYS 34 17.040 -6.402 -0.307 282 2HZ LYS 34 HZ2 LYS 34 16.128 -6.139 -1.654 283 3HZ LYS 34 HZ3 LYS 34 16.427 -4.906 -0.600 284 H PHE 35 H PHE 35 8.958 -2.373 2.102 285 HA PHE 35 HA PHE 35 10.871 -0.101 2.103 286 1HB PHE 35 HB2 PHE 35 9.134 -0.520 0.069 287 2HB PHE 35 HB3 PHE 35 8.062 0.223 1.190 288 HD1 PHE 35 HD1 PHE 35 11.636 0.940 0.175 289 HD2 PHE 35 HD2 PHE 35 7.623 2.466 0.710 290 HE1 PHE 35 HE1 PHE 35 12.403 3.197 -0.445 291 HE2 PHE 35 HE2 PHE 35 8.373 4.687 -0.075 292 HZ PHE 35 HZ PHE 35 10.768 5.069 -0.640 293 H LEU 36 H LEU 36 9.189 -2.011 4.094 294 HA LEU 36 HA LEU 36 7.344 -0.286 5.349 295 1HB LEU 36 HB2 LEU 36 8.959 -2.673 6.366 296 2HB LEU 36 HB3 LEU 36 7.612 -1.964 7.255 297 HG LEU 36 HG LEU 36 7.268 -2.982 4.425 298 1HD1 LEU 36 HD11 LEU 36 8.066 -4.830 5.864 299 2HD1 LEU 36 HD12 LEU 36 6.778 -4.473 7.028 300 3HD1 LEU 36 HD13 LEU 36 6.368 -5.046 5.397 301 1HD2 LEU 36 HD21 LEU 36 4.966 -2.966 4.930 302 2HD2 LEU 36 HD22 LEU 36 5.224 -2.565 6.639 303 3HD2 LEU 36 HD23 LEU 36 5.556 -1.379 5.357 304 H GLU 37 H GLU 37 10.650 -1.110 6.420 305 HA GLU 37 HA GLU 37 10.732 0.905 8.447 306 1HB GLU 37 HB2 GLU 37 12.572 -1.111 7.403 307 2HB GLU 37 HB3 GLU 37 13.387 0.450 7.436 308 1HG GLU 37 HG2 GLU 37 12.432 0.643 9.876 309 2HG GLU 37 HG3 GLU 37 12.222 -1.112 9.743 310 H GLU 38 H GLU 38 11.424 0.934 4.982 311 HA GLU 38 HA GLU 38 12.842 3.411 4.889 312 1HB GLU 38 HB2 GLU 38 11.258 1.912 2.795 313 2HB GLU 38 HB3 GLU 38 12.288 3.269 2.463 314 1HG GLU 38 HG2 GLU 38 14.016 1.613 3.906 315 2HG GLU 38 HG3 GLU 38 13.050 0.449 2.993 316 H HIS 39 HN HIS 39 9.396 2.550 4.437 317 HA HIS 39 HA HIS 39 8.513 5.027 3.450 318 1HB HIS 39 HB2 HIS 39 7.121 3.114 3.264 319 2HB HIS 39 HB3 HIS 39 7.082 2.893 5.013 320 HD1 HIS 39 HND HIS 39 5.034 3.888 6.225 321 HD2 HIS 39 HD HIS 39 5.766 5.576 2.432 322 HE1 HIS 39 HE HIS 39 3.103 5.405 5.744 323 HA PRO 40 HA PRO 40 9.225 7.090 7.428 324 1HB PRO 40 HB2 PRO 40 9.162 9.686 6.648 325 2HB PRO 40 HB3 PRO 40 10.486 8.578 6.193 326 1HG PRO 40 HG2 PRO 40 8.103 9.385 4.517 327 2HG PRO 40 HG3 PRO 40 9.823 9.309 4.032 328 1HD PRO 40 HD2 PRO 40 7.975 7.299 3.556 329 2HD PRO 40 HD3 PRO 40 9.726 7.007 3.744 330 H GLY 41 H GLY 41 7.089 5.957 7.785 331 1HA GLY 41 HA1 GLY 41 5.231 7.749 9.007 332 2HA GLY 41 HA2 GLY 41 4.597 7.199 7.431 333 H GLY 42 H GLY 42 6.380 5.787 10.173 334 1HA GLY 42 HA1 GLY 42 6.037 3.980 11.516 335 2HA GLY 42 HA2 GLY 42 4.317 4.263 11.254 336 H GLU 43 H GLU 43 7.061 2.223 10.426 337 HA GLU 43 HA GLU 43 6.090 0.795 8.257 338 1HB GLU 43 HB2 GLU 43 7.251 -1.140 9.140 339 2HB GLU 43 HB3 GLU 43 8.269 0.295 9.117 340 1HG GLU 43 HG2 GLU 43 8.558 0.324 11.368 341 2HG GLU 43 HG3 GLU 43 6.976 -0.335 11.755 342 H ALA 44 H ALA 44 5.201 0.452 11.652 343 HA ALA 44 HA ALA 44 3.429 -1.723 11.488 344 1HB ALA 44 HB1 ALA 44 2.538 -0.868 13.623 345 2HB ALA 44 HB2 ALA 44 4.313 -0.866 13.592 346 3HB ALA 44 HB3 ALA 44 3.419 0.658 13.382 347 H VAL 45 H VAL 45 2.860 1.751 10.770 348 HA VAL 45 HA VAL 45 -0.044 1.530 10.690 349 HB VAL 45 HB VAL 45 1.994 3.590 9.791 350 1HG1 VAL 45 HG11 VAL 45 0.426 3.715 8.025 351 2HG1 VAL 45 HG12 VAL 45 -0.956 3.661 9.161 352 3HG1 VAL 45 HG13 VAL 45 0.136 5.066 9.115 353 1HG2 VAL 45 HG21 VAL 45 0.532 3.138 12.200 354 2HG2 VAL 45 HG22 VAL 45 1.560 4.514 11.775 355 3HG2 VAL 45 HG23 VAL 45 -0.177 4.563 11.431 356 H LEU 46 H LEU 46 2.595 1.520 8.244 357 HA LEU 46 HA LEU 46 0.856 0.943 6.066 358 1HB LEU 46 HB2 LEU 46 3.782 0.827 6.536 359 2HB LEU 46 HB3 LEU 46 3.218 -0.419 5.430 360 HG LEU 46 HG LEU 46 2.791 2.570 5.070 361 1HD1 LEU 46 HD11 LEU 46 4.350 2.286 3.194 362 2HD1 LEU 46 HD12 LEU 46 5.117 1.652 4.668 363 3HD1 LEU 46 HD13 LEU 46 4.433 0.538 3.476 364 1HD2 LEU 46 HD21 LEU 46 0.884 1.445 4.018 365 2HD2 LEU 46 HD22 LEU 46 2.030 1.870 2.756 366 3HD2 LEU 46 HD23 LEU 46 1.959 0.196 3.352 367 H ARG 47 H ARG 47 2.357 -1.183 8.468 368 HA ARG 47 HA ARG 47 1.689 -3.647 7.196 369 1HB ARG 47 HB2 ARG 47 3.143 -2.906 9.432 370 2HB ARG 47 HB3 ARG 47 1.718 -3.566 10.179 371 1HG ARG 47 HG2 ARG 47 2.723 -5.530 10.020 372 2HG ARG 47 HG3 ARG 47 2.212 -5.559 8.337 373 1HD ARG 47 HD2 ARG 47 4.360 -5.211 7.551 374 2HD ARG 47 HD3 ARG 47 4.754 -4.093 8.850 375 HE ARG 47 HE ARG 47 4.482 -7.005 9.426 376 1HH1 ARG 47 HH11 ARG 47 7.518 -6.902 11.239 377 2HH1 ARG 47 HH12 ARG 47 6.017 -7.757 11.006 378 1HH2 ARG 47 HH21 ARG 47 7.633 -4.513 10.418 379 2HH2 ARG 47 HH22 ARG 47 6.651 -4.219 9.106 380 H ALA 48 H ALA 48 0.067 -1.629 9.627 381 HA ALA 48 HA ALA 48 -2.070 -3.376 10.285 382 1HB ALA 48 HB1 ALA 48 -3.045 -1.234 11.223 383 2HB ALA 48 HB2 ALA 48 -1.368 -1.570 11.727 384 3HB ALA 48 HB3 ALA 48 -1.680 -0.365 10.468 385 H GLN 49 H GLN 49 -1.846 -0.635 7.964 386 HA GLN 49 HA GLN 49 -4.542 -1.145 6.958 387 1HB GLN 49 HB2 GLN 49 -2.275 0.729 6.438 388 2HB GLN 49 HB3 GLN 49 -3.362 0.480 5.098 389 1HG GLN 49 HG2 GLN 49 -4.258 1.381 7.865 390 2HG GLN 49 HG3 GLN 49 -4.076 2.423 6.443 391 1HE2 GLN 49 HE21 GLN 49 -6.556 2.641 7.482 392 2HE2 GLN 49 HE22 GLN 49 -7.676 1.674 6.537 393 H ALA 50 H ALA 50 -1.513 -2.640 6.419 394 HA ALA 50 HA ALA 50 -1.599 -3.271 3.762 395 1HB ALA 50 HB1 ALA 50 -0.265 -5.196 4.220 396 2HB ALA 50 HB2 ALA 50 0.169 -3.984 5.446 397 3HB ALA 50 HB3 ALA 50 -0.888 -5.338 5.867 398 H GLY 51 H GLY 51 -2.531 -4.912 2.499 399 1HA GLY 51 HA1 GLY 51 -4.281 -6.144 1.694 400 2HA GLY 51 HA2 GLY 51 -4.077 -7.105 3.154 401 H GLY 52 H GLY 52 -5.164 -3.724 2.646 402 1HA GLY 52 HA1 GLY 52 -7.947 -4.335 3.325 403 2HA GLY 52 HA2 GLY 52 -7.041 -3.275 4.442 404 H ASP 53 H ASP 53 -9.221 -2.238 2.934 405 HA ASP 53 HA ASP 53 -8.080 -0.813 0.644 406 1HB ASP 53 HB2 ASP 53 -10.524 -1.165 0.669 407 2HB ASP 53 HB3 ASP 53 -10.644 -0.188 2.153 408 H ALA 54 H ALA 54 -6.503 0.586 1.059 409 HA ALA 54 HA ALA 54 -6.604 2.193 3.604 410 1HB ALA 54 HB1 ALA 54 -4.172 1.471 1.947 411 2HB ALA 54 HB2 ALA 54 -4.237 2.310 3.520 412 3HB ALA 54 HB3 ALA 54 -4.697 0.587 3.375 413 H THR 55 H THR 55 -7.725 2.447 0.614 414 HA THR 55 HA THR 55 -6.360 4.553 -0.609 415 HB THR 55 HB THR 55 -9.366 3.954 -0.617 416 HG1 THR 55 HG1 THR 55 -8.530 2.139 -1.375 417 1HG2 THR 55 HG21 THR 55 -8.795 6.136 -1.667 418 2HG2 THR 55 HG22 THR 55 -7.465 5.353 -2.546 419 3HG2 THR 55 HG23 THR 55 -9.157 4.945 -2.934 420 H ALA 56 H ALA 56 -9.168 4.709 1.607 421 HA ALA 56 HA ALA 56 -9.256 7.537 1.771 422 1HB ALA 56 HB1 ALA 56 -10.734 7.185 3.670 423 2HB ALA 56 HB2 ALA 56 -11.115 6.034 2.376 424 3HB ALA 56 HB3 ALA 56 -10.214 5.489 3.809 425 H ASN 57 H ASN 57 -7.378 5.151 3.609 426 HA ASN 57 HA ASN 57 -6.592 6.962 5.708 427 1HB ASN 57 HB2 ASN 57 -6.502 4.215 5.322 428 2HB ASN 57 HB3 ASN 57 -4.801 4.645 5.169 429 1HD2 ASN 57 HD21 ASN 57 -4.057 6.310 7.045 430 2HD2 ASN 57 HD22 ASN 57 -4.652 5.835 8.628 431 H PHE 58 H PHE 58 -5.035 5.702 2.784 432 HA PHE 58 HA PHE 58 -2.567 7.057 2.833 433 1HB PHE 58 HB2 PHE 58 -3.048 5.267 1.278 434 2HB PHE 58 HB3 PHE 58 -4.388 6.147 0.572 435 HD1 PHE 58 HD1 PHE 58 -0.709 6.597 1.146 436 HD2 PHE 58 HD2 PHE 58 -4.047 7.268 -1.474 437 HE1 PHE 58 HE1 PHE 58 0.853 7.339 -0.641 438 HE2 PHE 58 HE2 PHE 58 -2.505 8.032 -3.246 439 HZ PHE 58 HZ PHE 58 -0.042 8.072 -2.836 440 H GLU 59 H GLU 59 -5.668 8.027 1.190 441 HA GLU 59 HA GLU 59 -4.557 10.491 0.335 442 1HB GLU 59 HB2 GLU 59 -6.687 11.063 -0.488 443 2HB GLU 59 HB3 GLU 59 -6.386 9.343 -0.761 444 1HG GLU 59 HG2 GLU 59 -8.561 9.233 -0.051 445 2HG GLU 59 HG3 GLU 59 -7.717 9.064 1.487 446 H ALA 60 H ALA 60 -6.447 9.659 3.255 447 HA ALA 60 HA ALA 60 -6.863 12.032 4.431 448 1HB ALA 60 HB1 ALA 60 -7.041 10.931 6.422 449 2HB ALA 60 HB2 ALA 60 -6.869 9.482 5.433 450 3HB ALA 60 HB3 ALA 60 -5.472 10.125 6.280 451 H VAL 61 H VAL 61 -3.656 10.447 4.374 452 HA VAL 61 HA VAL 61 -2.274 12.448 5.921 453 HB VAL 61 HB VAL 61 -1.357 10.372 3.919 454 1HG1 VAL 61 HG11 VAL 61 0.322 12.228 5.645 455 2HG1 VAL 61 HG12 VAL 61 0.942 10.712 4.962 456 3HG1 VAL 61 HG13 VAL 61 0.409 12.003 3.884 457 1HG2 VAL 61 HG21 VAL 61 -1.072 10.417 6.943 458 2HG2 VAL 61 HG22 VAL 61 -2.355 9.543 6.075 459 3HG2 VAL 61 HG23 VAL 61 -0.665 9.094 5.833 460 H GLY 62 H GLY 62 -3.024 12.106 2.467 461 1HA GLY 62 HA1 GLY 62 -3.281 14.104 1.175 462 2HA GLY 62 HA2 GLY 62 -1.826 14.800 1.900 463 H HIS 63 HN HIS 63 0.129 13.174 1.719 464 HA HIS 63 HA HIS 63 1.780 12.448 0.353 465 1HB HIS 63 HB2 HIS 63 -0.509 10.808 -0.774 466 2HB HIS 63 HB3 HIS 63 1.180 10.574 -1.194 467 HD1 HIS 63 HND HIS 63 -1.249 9.830 1.668 468 HD2 HIS 63 HD HIS 63 2.792 9.446 0.587 469 HE1 HIS 63 HE HIS 63 -0.229 8.180 3.287 470 H SER 64 H SER 64 2.448 14.319 -0.585 471 HA SER 64 HA SER 64 1.142 15.849 -2.547 472 1HB SER 64 HB2 SER 64 3.492 16.861 -2.725 473 2HB SER 64 HB3 SER 64 2.836 16.752 -1.082 474 HG SER 64 HG SER 64 4.773 15.790 -0.848 475 H THR 65 H THR 65 2.237 16.379 -4.696 476 HA THR 65 HA THR 65 1.664 14.446 -6.528 477 HB THR 65 HB THR 65 3.005 15.736 -8.156 478 HG1 THR 65 HG1 THR 65 3.872 17.337 -5.969 479 1HG2 THR 65 HG21 THR 65 1.711 17.762 -6.285 480 2HG2 THR 65 HG22 THR 65 1.801 17.767 -8.053 481 3HG2 THR 65 HG23 THR 65 0.750 16.602 -7.228 482 H ASP 66 H ASP 66 4.995 15.232 -5.564 483 HA ASP 66 HA ASP 66 6.430 13.262 -6.753 484 1HB ASP 66 HB2 ASP 66 6.915 15.148 -4.762 485 2HB ASP 66 HB3 ASP 66 7.154 13.651 -3.868 486 H ALA 67 H ALA 67 4.601 12.849 -3.708 487 HA ALA 67 HA ALA 67 5.519 10.105 -3.251 488 1HB ALA 67 HB1 ALA 67 4.787 11.555 -1.414 489 2HB ALA 67 HB2 ALA 67 3.149 11.620 -2.085 490 3HB ALA 67 HB3 ALA 67 3.804 10.076 -1.512 491 H ARG 68 H ARG 68 2.631 11.768 -4.628 492 HA ARG 68 HA ARG 68 0.976 9.524 -5.210 493 1HB ARG 68 HB2 ARG 68 1.014 12.411 -5.613 494 2HB ARG 68 HB3 ARG 68 0.494 11.651 -7.106 495 1HG ARG 68 HG2 ARG 68 -1.446 10.766 -6.127 496 2HG ARG 68 HG3 ARG 68 -0.723 10.715 -4.517 497 1HD ARG 68 HD2 ARG 68 -2.050 12.365 -4.104 498 2HD ARG 68 HD3 ARG 68 -0.762 13.372 -4.753 499 HE ARG 68 HE ARG 68 -2.434 12.702 -6.929 500 1HH1 ARG 68 HH11 ARG 68 -4.836 15.284 -6.541 501 2HH1 ARG 68 HH12 ARG 68 -4.198 14.092 -7.623 502 1HH2 ARG 68 HH21 ARG 68 -3.958 15.479 -4.344 503 2HH2 ARG 68 HH22 ARG 68 -2.673 14.415 -3.864 504 H GLU 69 H GLU 69 3.667 10.961 -6.958 505 HA GLU 69 HA GLU 69 3.303 9.322 -9.351 506 1HB GLU 69 HB2 GLU 69 5.157 11.419 -8.357 507 2HB GLU 69 HB3 GLU 69 5.767 10.351 -9.617 508 1HG GLU 69 HG2 GLU 69 3.048 11.703 -9.886 509 2HG GLU 69 HG3 GLU 69 4.546 12.528 -10.330 510 H LEU 70 H LEU 70 5.516 9.492 -6.559 511 HA LEU 70 HA LEU 70 7.143 7.331 -6.958 512 1HB LEU 70 HB2 LEU 70 7.413 8.919 -5.161 513 2HB LEU 70 HB3 LEU 70 5.929 8.326 -4.415 514 HG LEU 70 HG LEU 70 6.730 6.563 -3.470 515 1HD1 LEU 70 HD11 LEU 70 8.696 6.412 -5.678 516 2HD1 LEU 70 HD12 LEU 70 8.988 5.539 -4.142 517 3HD1 LEU 70 HD13 LEU 70 7.480 5.270 -5.033 518 1HD2 LEU 70 HD21 LEU 70 9.244 8.263 -3.599 519 2HD2 LEU 70 HD22 LEU 70 7.856 8.572 -2.528 520 3HD2 LEU 70 HD23 LEU 70 8.813 7.091 -2.334 521 H SER 71 H SER 71 4.021 7.157 -5.244 522 HA SER 71 HA SER 71 3.823 4.420 -4.958 523 1HB SER 71 HB2 SER 71 1.415 4.608 -5.005 524 2HB SER 71 HB3 SER 71 2.053 6.078 -4.242 525 HG SER 71 HG SER 71 0.410 6.407 -5.914 526 H LYS 72 H LYS 72 3.285 6.121 -8.100 527 HA LYS 72 HA LYS 72 2.356 3.776 -9.424 528 1HB LYS 72 HB2 LYS 72 3.875 6.022 -10.776 529 2HB LYS 72 HB3 LYS 72 2.732 4.861 -11.460 530 1HG LYS 72 HG2 LYS 72 1.089 5.965 -9.594 531 2HG LYS 72 HG3 LYS 72 2.251 7.287 -9.759 532 1HD LYS 72 HD2 LYS 72 1.880 6.771 -12.375 533 2HD LYS 72 HD3 LYS 72 0.356 6.091 -11.797 534 1HE LYS 72 HE2 LYS 72 -0.562 8.165 -11.535 535 2HE LYS 72 HE3 LYS 72 0.839 8.767 -10.639 536 1HZ LYS 72 HZ1 LYS 72 1.968 9.231 -12.581 537 2HZ LYS 72 HZ2 LYS 72 0.818 8.569 -13.578 538 3HZ LYS 72 HZ3 LYS 72 0.537 9.946 -12.697 539 H THR 73 H THR 73 5.639 4.974 -8.730 540 HA THR 73 HA THR 73 7.072 3.040 -10.336 541 HB THR 73 HB THR 73 7.827 4.888 -8.049 542 HG1 THR 73 HG1 THR 73 9.006 5.805 -9.719 543 1HG2 THR 73 HG21 THR 73 10.179 4.273 -8.378 544 2HG2 THR 73 HG22 THR 73 9.241 2.995 -7.606 545 3HG2 THR 73 HG23 THR 73 9.669 2.860 -9.330 546 H PHE 74 H PHE 74 5.332 2.862 -7.372 547 HA PHE 74 HA PHE 74 6.466 0.199 -6.637 548 1HB PHE 74 HB2 PHE 74 4.807 2.295 -5.198 549 2HB PHE 74 HB3 PHE 74 4.783 0.624 -4.690 550 HD1 PHE 74 HD1 PHE 74 7.489 3.079 -5.721 551 HD2 PHE 74 HD2 PHE 74 6.112 0.103 -2.934 552 HE1 PHE 74 HE1 PHE 74 9.587 3.303 -4.431 553 HE2 PHE 74 HE2 PHE 74 8.181 0.332 -1.659 554 HZ PHE 74 HZ PHE 74 9.930 1.931 -2.366 555 H ILE 75 H ILE 75 4.094 1.342 -8.737 556 HA ILE 75 HA ILE 75 1.840 -0.208 -7.883 557 HB ILE 75 HB ILE 75 2.115 1.695 -9.674 558 1HG1 ILE 75 HG12 ILE 75 0.068 -0.514 -9.623 559 2HG1 ILE 75 HG13 ILE 75 0.095 1.042 -8.759 560 1HG2 ILE 75 HG21 ILE 75 2.025 0.980 -11.963 561 2HG2 ILE 75 HG22 ILE 75 3.469 0.269 -11.254 562 3HG2 ILE 75 HG23 ILE 75 2.013 -0.735 -11.482 563 1HD1 ILE 75 HD11 ILE 75 -0.243 0.658 -11.733 564 2HD1 ILE 75 HD12 ILE 75 -1.425 1.262 -10.558 565 3HD1 ILE 75 HD13 ILE 75 0.024 2.232 -10.925 566 H ILE 76 H ILE 76 1.418 -2.359 -8.018 567 HA ILE 76 HA ILE 76 3.302 -4.066 -9.642 568 HB ILE 76 HB ILE 76 2.561 -5.849 -8.084 569 1HG1 ILE 76 HG12 ILE 76 1.617 -3.581 -6.274 570 2HG1 ILE 76 HG13 ILE 76 0.512 -4.504 -7.276 571 1HG2 ILE 76 HG21 ILE 76 3.952 -3.547 -6.640 572 2HG2 ILE 76 HG22 ILE 76 4.243 -5.287 -6.456 573 3HG2 ILE 76 HG23 ILE 76 4.734 -4.466 -7.933 574 1HD1 ILE 76 HD11 ILE 76 2.328 -6.219 -5.698 575 2HD1 ILE 76 HD12 ILE 76 1.333 -5.140 -4.711 576 3HD1 ILE 76 HD13 ILE 76 0.566 -6.263 -5.865 577 H GLY 77 H GLY 77 0.153 -2.838 -9.598 578 1HA GLY 77 HA1 GLY 77 -0.762 -3.686 -11.964 579 2HA GLY 77 HA2 GLY 77 -1.146 -5.079 -10.932 580 H GLU 78 H GLU 78 -3.330 -4.689 -11.108 581 HA GLU 78 HA GLU 78 -4.390 -2.324 -9.674 582 1HB GLU 78 HB2 GLU 78 -4.857 -3.139 -12.491 583 2HB GLU 78 HB3 GLU 78 -6.309 -2.795 -11.566 584 1HG GLU 78 HG2 GLU 78 -5.443 -0.641 -10.873 585 2HG GLU 78 HG3 GLU 78 -3.960 -0.898 -11.834 586 H LEU 79 H LEU 79 -6.748 -2.600 -9.199 587 HA LEU 79 HA LEU 79 -7.084 -5.061 -7.650 588 1HB LEU 79 HB2 LEU 79 -7.858 -2.923 -6.782 589 2HB LEU 79 HB3 LEU 79 -8.802 -2.653 -8.247 590 HG LEU 79 HG LEU 79 -9.961 -4.997 -7.453 591 1HD1 LEU 79 HD11 LEU 79 -10.115 -5.210 -5.106 592 2HD1 LEU 79 HD12 LEU 79 -8.386 -5.075 -5.449 593 3HD1 LEU 79 HD13 LEU 79 -9.284 -3.668 -4.831 594 1HD2 LEU 79 HD21 LEU 79 -11.774 -3.653 -6.708 595 2HD2 LEU 79 HD22 LEU 79 -10.687 -2.323 -6.263 596 3HD2 LEU 79 HD23 LEU 79 -10.955 -2.773 -7.972 597 H HIS 80 H HIS 80 -8.169 -6.869 -8.309 598 HA HIS 80 HA HIS 80 -8.916 -7.436 -10.928 599 1HB HIS 80 HB2 HIS 80 -8.647 -8.910 -8.781 600 2HB HIS 80 HB3 HIS 80 -10.384 -8.696 -8.609 601 HD1 HIS 80 HD1 HIS 80 -11.784 -10.298 -10.246 602 HD2 HIS 80 HD2 HIS 80 -7.639 -10.195 -10.919 603 HE1 HIS 80 HE1 HIS 80 -11.305 -12.082 -11.957 604 HA PRO 81 HA PRO 81 -12.750 -5.237 -11.457 605 1HB PRO 81 HB2 PRO 81 -13.778 -6.531 -13.649 606 2HB PRO 81 HB3 PRO 81 -12.415 -5.380 -13.719 607 1HG PRO 81 HG2 PRO 81 -12.276 -8.403 -13.613 608 2HG PRO 81 HG3 PRO 81 -11.379 -7.299 -14.701 609 1HD PRO 81 HD2 PRO 81 -10.294 -8.345 -12.469 610 2HD PRO 81 HD3 PRO 81 -9.898 -6.681 -12.982 611 H ASP 82 H ASP 82 -12.507 -8.541 -10.502 612 HA ASP 82 HA ASP 82 -15.354 -9.103 -10.313 613 1HB ASP 82 HB2 ASP 82 -13.618 -10.879 -10.467 614 2HB ASP 82 HB3 ASP 82 -13.022 -10.389 -8.837 615 H ASP 83 H ASP 83 -12.899 -7.592 -8.257 616 HA ASP 83 HA ASP 83 -14.356 -7.660 -5.777 617 1HB ASP 83 HB2 ASP 83 -11.964 -7.332 -5.818 618 2HB ASP 83 HB3 ASP 83 -12.139 -5.889 -6.831 619 H ARG 84 H ARG 84 -14.016 -5.294 -8.365 620 HA ARG 84 HA ARG 84 -15.390 -3.139 -7.164 621 1HB ARG 84 HB2 ARG 84 -14.417 -3.866 -9.893 622 2HB ARG 84 HB3 ARG 84 -15.730 -2.690 -9.858 623 1HG ARG 84 HG2 ARG 84 -14.571 -1.180 -8.465 624 2HG ARG 84 HG3 ARG 84 -13.288 -2.340 -8.097 625 1HD ARG 84 HD2 ARG 84 -13.923 -1.310 -10.885 626 2HD ARG 84 HD3 ARG 84 -12.715 -0.541 -9.833 627 HE ARG 84 HE ARG 84 -11.956 -3.200 -9.857 628 1HH1 ARG 84 HH11 ARG 84 -10.066 -3.296 -12.846 629 2HH1 ARG 84 HH12 ARG 84 -10.132 -3.873 -11.220 630 1HH2 ARG 84 HH21 ARG 84 -11.363 -1.427 -13.482 631 2HH2 ARG 84 HH22 ARG 84 -12.553 -0.816 -12.373 632 HHA HEM 201 HGM HEM 201 4.998 10.516 5.237 633 HHB HEM 201 HDM HEM 201 5.590 7.785 -0.600 634 HHC HEM 201 HAM HEM 201 0.617 3.983 0.729 635 HHD HEM 201 HBM HEM 201 0.140 6.502 6.639 636 1HMA HEM 201 HM81 HEM 201 6.453 9.885 -0.648 637 2HMA HEM 201 HM82 HEM 201 7.074 11.155 0.386 638 3HMA HEM 201 HM83 HEM 201 7.880 9.572 0.361 639 1HAA HEM 201 HAA1 HEM 201 6.795 11.480 4.122 640 2HAA HEM 201 HAA2 HEM 201 7.226 11.846 2.464 641 1HBA HEM 201 HBA1 HEM 201 4.523 12.381 3.770 642 2HBA HEM 201 HBA2 HEM 201 4.868 12.620 2.052 643 1HMB HEM 201 HM11 HEM 201 5.478 5.326 -2.118 644 2HMB HEM 201 HM12 HEM 201 3.941 5.138 -2.945 645 3HMB HEM 201 HM13 HEM 201 4.578 6.768 -2.688 646 HAB HEM 201 HT2A HEM 201 1.623 4.249 -2.433 647 1HBB HEM 201 HV2C HEM 201 2.091 2.373 -0.142 648 2HBB HEM 201 HV2T HEM 201 1.212 2.056 -1.766 649 1HMC HEM 201 HM31 HEM 201 -0.925 2.382 2.838 650 2HMC HEM 201 HM32 HEM 201 -2.311 3.450 3.156 651 3HMC HEM 201 HM33 HEM 201 -1.455 3.554 1.617 652 HAC HEM 201 HT4A HEM 201 -2.099 5.347 6.008 653 1HBC HEM 201 HV4C HEM 201 -0.864 2.570 5.610 654 2HBC HEM 201 HV4T HEM 201 -1.918 3.149 7.036 655 1HMD HEM 201 HM51 HEM 201 1.939 7.290 8.874 656 2HMD HEM 201 HM52 HEM 201 1.600 9.013 9.087 657 3HMD HEM 201 HM53 HEM 201 0.379 7.973 8.361 658 1HAD HEM 201 HAD1 HEM 201 3.999 9.569 8.641 659 2HAD HEM 201 HAD2 HEM 201 4.666 10.608 7.412 660 1HBD HEM 201 HBD1 HEM 201 3.161 12.247 7.785 661 2HBD HEM 201 HBD2 HEM 201 1.834 11.127 8.099 Start of MODEL 5 1 1H ALA 3 H1 ALA 3 2.386 -6.945 -18.445 2 2H ALA 3 H2 ALA 3 2.306 -8.422 -19.147 3 3H ALA 3 H3 ALA 3 2.519 -7.077 -20.107 4 HA ALA 3 HA ALA 3 0.134 -8.199 -19.550 5 1HB ALA 3 HB1 ALA 3 0.398 -6.547 -21.319 6 2HB ALA 3 HB2 ALA 3 -0.865 -5.979 -20.220 7 3HB ALA 3 HB3 ALA 3 0.757 -5.265 -20.138 8 H VAL 4 H VAL 4 -1.758 -6.852 -18.325 9 HA VAL 4 HA VAL 4 -0.770 -6.132 -15.611 10 HB VAL 4 HB VAL 4 -2.113 -4.424 -16.730 11 1HG1 VAL 4 HG11 VAL 4 -4.754 -5.493 -16.577 12 2HG1 VAL 4 HG12 VAL 4 -3.894 -4.880 -17.992 13 3HG1 VAL 4 HG13 VAL 4 -3.824 -6.598 -17.585 14 1HG2 VAL 4 HG21 VAL 4 -2.161 -4.659 -14.275 15 2HG2 VAL 4 HG22 VAL 4 -3.655 -3.978 -14.934 16 3HG2 VAL 4 HG23 VAL 4 -3.621 -5.669 -14.401 17 H LYS 5 H LYS 5 -1.688 -7.277 -13.855 18 HA LYS 5 HA LYS 5 -3.546 -9.494 -14.409 19 1HB LYS 5 HB2 LYS 5 -1.260 -10.488 -14.592 20 2HB LYS 5 HB3 LYS 5 -0.900 -9.906 -12.956 21 1HG LYS 5 HG2 LYS 5 -2.861 -11.241 -12.110 22 2HG LYS 5 HG3 LYS 5 -3.115 -11.869 -13.753 23 1HD LYS 5 HD2 LYS 5 -0.863 -12.881 -13.737 24 2HD LYS 5 HD3 LYS 5 -0.532 -12.129 -12.161 25 1HE LYS 5 HE2 LYS 5 -2.656 -13.441 -11.333 26 2HE LYS 5 HE3 LYS 5 -2.467 -14.397 -12.810 27 1HZ LYS 5 HZ1 LYS 5 -0.467 -14.050 -10.668 28 2HZ LYS 5 HZ2 LYS 5 -1.366 -15.395 -10.939 29 3HZ LYS 5 HZ3 LYS 5 -0.226 -14.938 -12.035 30 H TYR 6 H TYR 6 -5.014 -8.136 -13.416 31 HA TYR 6 HA TYR 6 -4.598 -6.639 -11.111 32 1HB TYR 6 HB2 TYR 6 -7.184 -8.043 -11.886 33 2HB TYR 6 HB3 TYR 6 -6.987 -6.584 -10.907 34 HD1 TYR 6 HD1 TYR 6 -6.581 -4.445 -11.919 35 HD2 TYR 6 HD2 TYR 6 -7.203 -7.944 -14.314 36 HE1 TYR 6 HE1 TYR 6 -6.738 -3.007 -13.949 37 HE2 TYR 6 HE2 TYR 6 -7.430 -6.520 -16.335 38 HH TYR 6 HH TYR 6 -6.808 -3.001 -16.244 39 H TYR 7 H TYR 7 -5.357 -7.012 -8.874 40 HA TYR 7 HA TYR 7 -5.219 -9.904 -8.064 41 1HB TYR 7 HB2 TYR 7 -4.220 -7.581 -6.432 42 2HB TYR 7 HB3 TYR 7 -3.980 -9.300 -6.148 43 HD1 TYR 7 HD1 TYR 7 -2.293 -10.562 -7.565 44 HD2 TYR 7 HD2 TYR 7 -2.949 -6.332 -8.036 45 HE1 TYR 7 HE1 TYR 7 -0.232 -10.383 -8.952 46 HE2 TYR 7 HE2 TYR 7 -0.965 -6.167 -9.436 47 HH TYR 7 HH TYR 7 0.821 -7.238 -10.359 48 H THR 8 H THR 8 -6.889 -10.607 -6.813 49 HA THR 8 HA THR 8 -9.176 -8.876 -6.266 50 HB THR 8 HB THR 8 -9.934 -11.055 -5.132 51 HG1 THR 8 HG1 THR 8 -7.539 -11.544 -4.915 52 1HG2 THR 8 HG21 THR 8 -10.539 -10.711 -7.482 53 2HG2 THR 8 HG22 THR 8 -8.939 -11.306 -8.009 54 3HG2 THR 8 HG23 THR 8 -10.083 -12.399 -7.214 55 H LEU 9 H LEU 9 -9.966 -8.484 -4.085 56 HA LEU 9 HA LEU 9 -8.137 -7.508 -2.262 57 1HB LEU 9 HB2 LEU 9 -10.868 -7.639 -2.464 58 2HB LEU 9 HB3 LEU 9 -10.635 -8.651 -1.062 59 HG LEU 9 HG LEU 9 -9.248 -5.943 -1.201 60 1HD1 LEU 9 HD11 LEU 9 -11.247 -4.967 -0.035 61 2HD1 LEU 9 HD12 LEU 9 -11.433 -5.294 -1.758 62 3HD1 LEU 9 HD13 LEU 9 -12.169 -6.393 -0.569 63 1HD2 LEU 9 HD21 LEU 9 -8.670 -7.459 0.666 64 2HD2 LEU 9 HD22 LEU 9 -9.534 -6.027 1.244 65 3HD2 LEU 9 HD23 LEU 9 -10.391 -7.575 1.107 66 H GLU 10 H GLU 10 -9.560 -10.747 -2.385 67 HA GLU 10 HA GLU 10 -8.435 -11.910 -0.129 68 1HB GLU 10 HB2 GLU 10 -10.068 -12.940 -1.755 69 2HB GLU 10 HB3 GLU 10 -8.698 -13.358 -2.776 70 1HG GLU 10 HG2 GLU 10 -9.192 -15.282 -1.418 71 2HG GLU 10 HG3 GLU 10 -7.667 -14.610 -0.847 72 H GLU 11 H GLU 11 -6.982 -12.320 -3.403 73 HA GLU 11 HA GLU 11 -4.526 -13.287 -2.636 74 1HB GLU 11 HB2 GLU 11 -5.584 -11.956 -5.057 75 2HB GLU 11 HB3 GLU 11 -3.913 -11.532 -4.761 76 1HG GLU 11 HG2 GLU 11 -3.947 -13.452 -6.177 77 2HG GLU 11 HG3 GLU 11 -3.329 -13.959 -4.601 78 H ILE 12 H ILE 12 -5.386 -9.816 -2.947 79 HA ILE 12 HA ILE 12 -2.846 -8.841 -2.106 80 HB ILE 12 HB ILE 12 -5.563 -7.558 -1.729 81 1HG1 ILE 12 HG12 ILE 12 -3.573 -7.210 -4.037 82 2HG1 ILE 12 HG13 ILE 12 -4.964 -8.265 -4.146 83 1HG2 ILE 12 HG21 ILE 12 -3.422 -6.551 -0.524 84 2HG2 ILE 12 HG22 ILE 12 -2.963 -6.070 -2.163 85 3HG2 ILE 12 HG23 ILE 12 -4.478 -5.492 -1.454 86 1HD1 ILE 12 HD11 ILE 12 -6.480 -6.373 -3.664 87 2HD1 ILE 12 HD12 ILE 12 -5.055 -5.296 -3.711 88 3HD1 ILE 12 HD13 ILE 12 -5.566 -6.184 -5.154 89 H GLN 13 H GLN 13 -5.699 -9.799 -0.222 90 HA GLN 13 HA GLN 13 -4.813 -9.216 2.382 91 1HB GLN 13 HB2 GLN 13 -7.013 -10.725 1.153 92 2HB GLN 13 HB3 GLN 13 -6.512 -11.368 2.687 93 1HG GLN 13 HG2 GLN 13 -6.886 -8.377 2.497 94 2HG GLN 13 HG3 GLN 13 -8.308 -9.414 2.407 95 1HE2 GLN 13 HE21 GLN 13 -9.281 -9.361 4.383 96 2HE2 GLN 13 HE22 GLN 13 -8.452 -9.671 5.897 97 H LYS 14 H LYS 14 -3.642 -11.700 0.211 98 HA LYS 14 HA LYS 14 -2.667 -13.422 2.385 99 1HB LYS 14 HB2 LYS 14 -1.942 -13.331 -0.557 100 2HB LYS 14 HB3 LYS 14 -1.440 -14.555 0.583 101 1HG LYS 14 HG2 LYS 14 -4.386 -13.987 -0.008 102 2HG LYS 14 HG3 LYS 14 -3.403 -15.068 -0.986 103 1HD LYS 14 HD2 LYS 14 -2.853 -16.353 1.143 104 2HD LYS 14 HD3 LYS 14 -4.075 -15.355 1.970 105 1HE LYS 14 HE2 LYS 14 -5.797 -16.125 0.320 106 2HE LYS 14 HE3 LYS 14 -4.569 -17.103 -0.501 107 1HZ LYS 14 HZ1 LYS 14 -5.847 -18.444 0.944 108 2HZ LYS 14 HZ2 LYS 14 -4.324 -18.354 1.561 109 3HZ LYS 14 HZ3 LYS 14 -5.551 -17.482 2.243 110 H HIS 15 H HIS 15 -1.693 -10.409 0.883 111 HA HIS 15 HA HIS 15 1.148 -10.816 1.659 112 1HB HIS 15 HB2 HIS 15 -0.227 -9.010 -0.346 113 2HB HIS 15 HB3 HIS 15 1.433 -8.745 0.192 114 HD1 HIS 15 HD1 HIS 15 3.099 -9.666 -1.509 115 HD2 HIS 15 HD2 HIS 15 -0.515 -11.802 -1.314 116 HE1 HIS 15 HE1 HIS 15 3.252 -11.524 -3.246 117 H ASN 16 H ASN 16 -0.021 -10.499 3.883 118 HA ASN 16 HA ASN 16 0.690 -7.910 5.014 119 1HB ASN 16 HB2 ASN 16 -1.668 -7.277 5.673 120 2HB ASN 16 HB3 ASN 16 -1.270 -7.053 3.970 121 1HD2 ASN 16 HD21 ASN 16 -3.261 -8.918 6.197 122 2HD2 ASN 16 HD22 ASN 16 -4.264 -9.634 4.929 123 H ASN 17 H ASN 17 1.724 -9.956 5.964 124 HA ASN 17 HA ASN 17 0.707 -10.304 8.567 125 1HB ASN 17 HB2 ASN 17 -0.571 -12.099 6.661 126 2HB ASN 17 HB3 ASN 17 0.444 -13.078 7.698 127 1HD2 ASN 17 HD21 ASN 17 -2.048 -13.743 7.907 128 2HD2 ASN 17 HD22 ASN 17 -2.768 -13.096 9.371 129 H SER 18 H SER 18 2.796 -9.760 8.976 130 HA SER 18 HA SER 18 5.044 -9.990 9.258 131 1HB SER 18 HB2 SER 18 3.774 -11.608 10.862 132 2HB SER 18 HB3 SER 18 4.479 -12.898 9.867 133 HG SER 18 HG SER 18 5.872 -12.363 11.577 134 H LYS 19 H LYS 19 4.570 -10.106 6.532 135 HA LYS 19 HA LYS 19 6.920 -11.520 5.600 136 1HB LYS 19 HB2 LYS 19 4.216 -12.721 5.231 137 2HB LYS 19 HB3 LYS 19 5.075 -12.464 3.712 138 1HG LYS 19 HG2 LYS 19 7.083 -13.628 4.722 139 2HG LYS 19 HG3 LYS 19 6.012 -14.127 6.051 140 1HD LYS 19 HD2 LYS 19 4.434 -15.062 4.262 141 2HD LYS 19 HD3 LYS 19 5.688 -14.675 3.066 142 1HE LYS 19 HE2 LYS 19 7.254 -16.103 4.693 143 2HE LYS 19 HE3 LYS 19 5.715 -16.735 5.300 144 1HZ LYS 19 HZ1 LYS 19 6.742 -16.882 2.540 145 2HZ LYS 19 HZ2 LYS 19 6.536 -18.130 3.586 146 3HZ LYS 19 HZ3 LYS 19 5.223 -17.354 2.968 147 H SER 20 H SER 20 3.954 -10.569 3.865 148 HA SER 20 HA SER 20 5.517 -8.461 2.449 149 1HB SER 20 HB2 SER 20 3.174 -10.131 1.542 150 2HB SER 20 HB3 SER 20 3.827 -8.751 0.638 151 HG SER 20 HG SER 20 5.484 -10.870 1.494 152 H THR 21 H THR 21 4.116 -6.640 1.646 153 HA THR 21 HA THR 21 1.796 -5.990 3.343 154 HB THR 21 HB THR 21 4.377 -4.398 3.243 155 HG1 THR 21 HG1 THR 21 3.329 -6.263 4.876 156 1HG2 THR 21 HG21 THR 21 2.613 -3.248 5.087 157 2HG2 THR 21 HG22 THR 21 3.089 -2.588 3.507 158 3HG2 THR 21 HG23 THR 21 1.615 -3.546 3.654 159 H TRP 22 H TRP 22 0.620 -6.236 1.513 160 HA TRP 22 HA TRP 22 0.898 -4.173 -0.628 161 1HB TRP 22 HB2 TRP 22 -0.642 -6.799 -0.470 162 2HB TRP 22 HB3 TRP 22 -0.798 -5.614 -1.760 163 HD1 TRP 22 HD1 TRP 22 2.787 -5.894 -0.934 164 HE1 TRP 22 HE1 TRP 22 3.996 -7.069 -2.716 165 HE3 TRP 22 HE3 TRP 22 -1.274 -7.820 -3.357 166 HZ2 TRP 22 HZ2 TRP 22 3.301 -8.769 -5.064 167 HZ3 TRP 22 HZ3 TRP 22 -0.985 -9.261 -5.330 168 HH2 TRP 22 HH2 TRP 22 1.303 -9.684 -6.252 169 H LEU 23 H LEU 23 -1.328 -3.428 -1.339 170 HA LEU 23 HA LEU 23 -3.513 -3.383 0.409 171 1HB LEU 23 HB2 LEU 23 -3.227 -0.936 1.147 172 2HB LEU 23 HB3 LEU 23 -2.349 -2.173 2.002 173 HG LEU 23 HG LEU 23 -0.341 -1.586 0.350 174 1HD1 LEU 23 HD11 LEU 23 -1.673 -0.079 -1.105 175 2HD1 LEU 23 HD12 LEU 23 -2.019 0.911 0.337 176 3HD1 LEU 23 HD13 LEU 23 -0.365 0.786 -0.288 177 1HD2 LEU 23 HD21 LEU 23 0.256 0.311 1.933 178 2HD2 LEU 23 HD22 LEU 23 -1.310 0.008 2.726 179 3HD2 LEU 23 HD23 LEU 23 -0.075 -1.271 2.662 180 H ILE 24 H ILE 24 -4.879 -1.303 -0.288 181 HA ILE 24 HA ILE 24 -4.717 -1.099 -3.251 182 HB ILE 24 HB ILE 24 -7.163 -1.571 -1.526 183 1HG1 ILE 24 HG12 ILE 24 -6.128 -3.353 -3.761 184 2HG1 ILE 24 HG13 ILE 24 -5.525 -3.548 -2.115 185 1HG2 ILE 24 HG21 ILE 24 -7.663 -0.089 -3.460 186 2HG2 ILE 24 HG22 ILE 24 -6.906 -1.263 -4.557 187 3HG2 ILE 24 HG23 ILE 24 -8.392 -1.682 -3.683 188 1HD1 ILE 24 HD11 ILE 24 -8.058 -3.613 -1.403 189 2HD1 ILE 24 HD12 ILE 24 -8.302 -4.083 -3.066 190 3HD1 ILE 24 HD13 ILE 24 -7.248 -5.051 -2.039 191 H LEU 25 H LEU 25 -4.506 0.992 -3.714 192 HA LEU 25 HA LEU 25 -5.793 3.079 -1.982 193 1HB LEU 25 HB2 LEU 25 -3.201 2.981 -3.533 194 2HB LEU 25 HB3 LEU 25 -3.999 4.515 -3.236 195 HG LEU 25 HG LEU 25 -3.281 4.776 -1.244 196 1HD1 LEU 25 HD11 LEU 25 -3.652 1.869 -0.681 197 2HD1 LEU 25 HD12 LEU 25 -3.033 3.071 0.486 198 3HD1 LEU 25 HD13 LEU 25 -4.649 3.257 -0.194 199 1HD2 LEU 25 HD21 LEU 25 -1.278 4.141 -2.591 200 2HD2 LEU 25 HD22 LEU 25 -1.039 3.915 -0.857 201 3HD2 LEU 25 HD23 LEU 25 -1.345 2.511 -1.891 202 H HIS 26 H HIS 26 -7.725 3.095 -3.078 203 HA HIS 26 HA HIS 26 -9.196 3.755 -4.673 204 1HB HIS 26 HB2 HIS 26 -6.925 5.103 -6.165 205 2HB HIS 26 HB3 HIS 26 -8.646 5.463 -6.240 206 HD1 HIS 26 HD1 HIS 26 -9.619 6.973 -4.185 207 HD2 HIS 26 HD2 HIS 26 -5.531 6.012 -4.094 208 HE1 HIS 26 HE1 HIS 26 -8.562 8.461 -2.401 209 H TYR 27 H TYR 27 -8.648 1.227 -4.939 210 HA TYR 27 HA TYR 27 -8.803 -0.548 -6.306 211 1HB TYR 27 HB2 TYR 27 -9.187 1.325 -8.658 212 2HB TYR 27 HB3 TYR 27 -9.782 -0.310 -8.464 213 HD1 TYR 27 HD1 TYR 27 -10.866 2.978 -8.517 214 HD2 TYR 27 HD2 TYR 27 -11.155 -0.512 -6.015 215 HE1 TYR 27 HE1 TYR 27 -13.005 3.812 -7.573 216 HE2 TYR 27 HE2 TYR 27 -13.337 0.247 -5.174 217 HH TYR 27 HH TYR 27 -14.891 1.950 -5.177 218 H LYS 28 H LYS 28 -6.122 0.921 -5.990 219 HA LYS 28 HA LYS 28 -4.717 -0.471 -8.213 220 1HB LYS 28 HB2 LYS 28 -4.041 2.217 -7.051 221 2HB LYS 28 HB3 LYS 28 -3.075 1.295 -8.225 222 1HG LYS 28 HG2 LYS 28 -5.280 1.345 -9.664 223 2HG LYS 28 HG3 LYS 28 -5.799 2.579 -8.511 224 1HD LYS 28 HD2 LYS 28 -3.407 3.597 -8.993 225 2HD LYS 28 HD3 LYS 28 -3.492 2.611 -10.474 226 1HE LYS 28 HE2 LYS 28 -5.419 3.794 -11.274 227 2HE LYS 28 HE3 LYS 28 -5.761 4.490 -9.677 228 1HZ LYS 28 HZ1 LYS 28 -3.739 5.742 -9.830 229 2HZ LYS 28 HZ2 LYS 28 -3.475 5.178 -11.359 230 3HZ LYS 28 HZ3 LYS 28 -4.789 6.128 -11.040 231 H VAL 29 H VAL 29 -3.137 -1.844 -7.581 232 HA VAL 29 HA VAL 29 -2.721 -2.111 -4.708 233 HB VAL 29 HB VAL 29 -1.843 -4.026 -6.874 234 1HG1 VAL 29 HG11 VAL 29 -2.695 -4.494 -3.977 235 2HG1 VAL 29 HG12 VAL 29 -1.915 -5.657 -5.071 236 3HG1 VAL 29 HG13 VAL 29 -1.014 -4.266 -4.443 237 1HG2 VAL 29 HG21 VAL 29 -4.178 -3.735 -7.270 238 2HG2 VAL 29 HG22 VAL 29 -3.950 -5.243 -6.388 239 3HG2 VAL 29 HG23 VAL 29 -4.547 -3.803 -5.532 240 H TYR 30 H TYR 30 -0.793 -1.858 -3.728 241 HA TYR 30 HA TYR 30 1.603 -1.052 -5.336 242 1HB TYR 30 HB2 TYR 30 0.402 0.163 -2.815 243 2HB TYR 30 HB3 TYR 30 2.005 0.547 -3.414 244 HD1 TYR 30 HD1 TYR 30 2.276 1.663 -5.639 245 HD2 TYR 30 HD2 TYR 30 -1.618 1.014 -3.940 246 HE1 TYR 30 HE1 TYR 30 1.263 3.190 -7.330 247 HE2 TYR 30 HE2 TYR 30 -2.583 2.630 -5.560 248 HH TYR 30 HH TYR 30 -0.573 4.219 -8.046 249 H ASP 31 H ASP 31 3.333 -2.376 -4.875 250 HA ASP 31 HA ASP 31 3.282 -3.977 -2.353 251 1HB ASP 31 HB2 ASP 31 4.142 -5.223 -4.270 252 2HB ASP 31 HB3 ASP 31 5.340 -3.954 -4.588 253 H LEU 32 H LEU 32 4.099 -3.020 -0.564 254 HA LEU 32 HA LEU 32 6.412 -1.188 -0.912 255 1HB LEU 32 HB2 LEU 32 4.344 -0.850 1.217 256 2HB LEU 32 HB3 LEU 32 5.559 0.291 0.794 257 HG LEU 32 HG LEU 32 3.541 -0.320 -1.383 258 1HD1 LEU 32 HD11 LEU 32 2.932 1.418 0.997 259 2HD1 LEU 32 HD12 LEU 32 1.948 1.227 -0.475 260 3HD1 LEU 32 HD13 LEU 32 2.180 -0.147 0.601 261 1HD2 LEU 32 HD21 LEU 32 4.718 2.326 -0.537 262 2HD2 LEU 32 HD22 LEU 32 5.659 1.173 -1.506 263 3HD2 LEU 32 HD23 LEU 32 4.139 1.794 -2.141 264 H THR 33 H THR 33 5.982 -4.133 -0.397 265 HA THR 33 HA THR 33 6.421 -4.838 2.298 266 HB THR 33 HB THR 33 7.373 -6.116 -0.286 267 HG1 THR 33 HG1 THR 33 5.338 -6.357 -0.480 268 1HG2 THR 33 HG21 THR 33 7.358 -8.222 1.132 269 2HG2 THR 33 HG22 THR 33 8.656 -7.084 1.504 270 3HG2 THR 33 HG23 THR 33 7.251 -7.162 2.569 271 H LYS 34 H LYS 34 8.630 -3.775 -0.268 272 HA LYS 34 HA LYS 34 10.920 -3.887 1.651 273 1HB LYS 34 HB2 LYS 34 10.646 -4.726 -1.042 274 2HB LYS 34 HB3 LYS 34 11.622 -3.265 -1.136 275 1HG LYS 34 HG2 LYS 34 13.274 -4.171 0.354 276 2HG LYS 34 HG3 LYS 34 12.190 -5.482 0.874 277 1HD LYS 34 HD2 LYS 34 12.196 -6.360 -1.510 278 2HD LYS 34 HD3 LYS 34 13.399 -5.129 -1.899 279 1HE LYS 34 HE2 LYS 34 14.578 -7.181 -1.506 280 2HE LYS 34 HE3 LYS 34 14.920 -6.120 -0.130 281 1HZ LYS 34 HZ1 LYS 34 14.392 -8.424 0.469 282 2HZ LYS 34 HZ2 LYS 34 13.354 -7.359 1.165 283 3HZ LYS 34 HZ3 LYS 34 12.873 -8.251 -0.134 284 H PHE 35 H PHE 35 8.704 -1.986 1.793 285 HA PHE 35 HA PHE 35 10.432 0.367 1.830 286 1HB PHE 35 HB2 PHE 35 8.556 0.085 -0.154 287 2HB PHE 35 HB3 PHE 35 7.596 0.772 1.083 288 HD1 PHE 35 HD1 PHE 35 11.179 1.450 0.036 289 HD2 PHE 35 HD2 PHE 35 7.208 3.066 0.584 290 HE1 PHE 35 HE1 PHE 35 12.017 3.694 -0.514 291 HE2 PHE 35 HE2 PHE 35 8.067 5.326 0.030 292 HZ PHE 35 HZ PHE 35 10.471 5.641 -0.541 293 H LEU 36 H LEU 36 9.072 -1.683 3.769 294 HA LEU 36 HA LEU 36 7.061 -0.253 5.164 295 1HB LEU 36 HB2 LEU 36 8.964 -2.470 6.037 296 2HB LEU 36 HB3 LEU 36 7.617 -1.900 7.028 297 HG LEU 36 HG LEU 36 7.266 -2.948 4.178 298 1HD1 LEU 36 HD11 LEU 36 7.509 -4.369 6.783 299 2HD1 LEU 36 HD12 LEU 36 6.292 -4.964 5.622 300 3HD1 LEU 36 HD13 LEU 36 7.993 -4.859 5.165 301 1HD2 LEU 36 HD21 LEU 36 4.891 -3.250 5.510 302 2HD2 LEU 36 HD22 LEU 36 5.469 -1.756 6.229 303 3HD2 LEU 36 HD23 LEU 36 5.309 -1.882 4.468 304 H GLU 37 H GLU 37 10.357 -0.878 6.378 305 HA GLU 37 HA GLU 37 10.299 1.224 8.346 306 1HB GLU 37 HB2 GLU 37 12.159 -0.889 7.433 307 2HB GLU 37 HB3 GLU 37 12.996 0.623 7.769 308 1HG GLU 37 HG2 GLU 37 12.092 0.712 10.015 309 2HG GLU 37 HG3 GLU 37 11.066 -0.705 9.718 310 H GLU 38 H GLU 38 11.265 1.023 4.953 311 HA GLU 38 HA GLU 38 12.876 3.365 4.864 312 1HB GLU 38 HB2 GLU 38 11.219 2.140 2.669 313 2HB GLU 38 HB3 GLU 38 12.599 3.185 2.443 314 1HG GLU 38 HG2 GLU 38 13.130 0.627 3.982 315 2HG GLU 38 HG3 GLU 38 12.749 0.478 2.267 316 H HIS 39 HN HIS 39 9.403 2.737 4.189 317 HA HIS 39 HA HIS 39 8.642 5.197 3.137 318 1HB HIS 39 HB2 HIS 39 7.164 3.393 2.976 319 2HB HIS 39 HB3 HIS 39 7.126 3.156 4.728 320 HD1 HIS 39 HND HIS 39 5.419 4.426 6.077 321 HD2 HIS 39 HD HIS 39 5.705 5.655 2.078 322 HE1 HIS 39 HE HIS 39 3.501 6.035 5.695 323 HA PRO 40 HA PRO 40 9.422 7.381 7.051 324 1HB PRO 40 HB2 PRO 40 9.540 9.952 6.037 325 2HB PRO 40 HB3 PRO 40 10.864 8.763 5.992 326 1HG PRO 40 HG2 PRO 40 9.093 9.618 3.749 327 2HG PRO 40 HG3 PRO 40 10.772 9.024 3.712 328 1HD PRO 40 HD2 PRO 40 8.361 7.583 3.184 329 2HD PRO 40 HD3 PRO 40 10.012 6.928 3.309 330 H GLY 41 H GLY 41 7.227 6.501 7.458 331 1HA GLY 41 HA1 GLY 41 5.396 8.748 8.046 332 2HA GLY 41 HA2 GLY 41 4.752 7.490 6.989 333 H GLY 42 H GLY 42 5.707 5.177 8.012 334 1HA GLY 42 HA1 GLY 42 5.948 4.663 10.666 335 2HA GLY 42 HA2 GLY 42 4.201 4.882 10.500 336 H GLU 43 H GLU 43 6.805 2.671 10.099 337 HA GLU 43 HA GLU 43 5.777 0.925 8.131 338 1HB GLU 43 HB2 GLU 43 7.129 -0.776 9.278 339 2HB GLU 43 HB3 GLU 43 8.008 0.700 8.927 340 1HG GLU 43 HG2 GLU 43 8.604 0.986 11.040 341 2HG GLU 43 HG3 GLU 43 6.947 1.003 11.610 342 H ALA 44 H ALA 44 5.016 1.267 11.600 343 HA ALA 44 HA ALA 44 3.441 -1.031 11.909 344 1HB ALA 44 HB1 ALA 44 2.950 1.641 13.295 345 2HB ALA 44 HB2 ALA 44 2.527 0.015 13.868 346 3HB ALA 44 HB3 ALA 44 4.231 0.495 13.753 347 H VAL 45 H VAL 45 2.382 2.334 11.039 348 HA VAL 45 HA VAL 45 -0.294 1.460 10.561 349 HB VAL 45 HB VAL 45 0.185 3.754 11.121 350 1HG1 VAL 45 HG11 VAL 45 0.886 5.364 9.445 351 2HG1 VAL 45 HG12 VAL 45 2.159 4.210 9.818 352 3HG1 VAL 45 HG13 VAL 45 1.248 4.063 8.291 353 1HG2 VAL 45 HG21 VAL 45 -1.270 4.593 8.923 354 2HG2 VAL 45 HG22 VAL 45 -1.609 2.856 8.960 355 3HG2 VAL 45 HG23 VAL 45 -1.924 3.842 10.384 356 H LEU 46 H LEU 46 2.598 1.871 8.113 357 HA LEU 46 HA LEU 46 0.882 1.001 6.013 358 1HB LEU 46 HB2 LEU 46 3.831 0.926 6.626 359 2HB LEU 46 HB3 LEU 46 3.253 -0.061 5.289 360 HG LEU 46 HG LEU 46 4.027 2.258 4.674 361 1HD1 LEU 46 HD11 LEU 46 2.398 2.548 2.978 362 2HD1 LEU 46 HD12 LEU 46 2.471 0.801 3.289 363 3HD1 LEU 46 HD13 LEU 46 1.128 1.765 3.931 364 1HD2 LEU 46 HD21 LEU 46 3.052 3.611 6.480 365 2HD2 LEU 46 HD22 LEU 46 2.372 4.077 4.903 366 3HD2 LEU 46 HD23 LEU 46 1.408 3.144 6.009 367 H ARG 47 H ARG 47 2.392 -0.978 8.539 368 HA ARG 47 HA ARG 47 1.841 -3.464 7.179 369 1HB ARG 47 HB2 ARG 47 3.678 -2.976 8.866 370 2HB ARG 47 HB3 ARG 47 2.442 -2.971 10.122 371 1HG ARG 47 HG2 ARG 47 3.547 -5.124 10.058 372 2HG ARG 47 HG3 ARG 47 1.877 -5.348 9.543 373 1HD ARG 47 HD2 ARG 47 2.452 -5.960 7.418 374 2HD ARG 47 HD3 ARG 47 3.710 -4.744 7.277 375 HE ARG 47 HE ARG 47 4.081 -7.495 7.909 376 1HH1 ARG 47 HH11 ARG 47 7.504 -7.050 8.696 377 2HH1 ARG 47 HH12 ARG 47 6.290 -8.208 8.271 378 1HH2 ARG 47 HH21 ARG 47 6.928 -4.754 8.968 379 2HH2 ARG 47 HH22 ARG 47 5.294 -4.284 8.646 380 H ALA 48 H ALA 48 0.208 -1.525 9.642 381 HA ALA 48 HA ALA 48 -1.797 -3.466 10.325 382 1HB ALA 48 HB1 ALA 48 -1.704 -0.436 10.599 383 2HB ALA 48 HB2 ALA 48 -2.864 -1.511 11.421 384 3HB ALA 48 HB3 ALA 48 -1.125 -1.616 11.791 385 H GLN 49 H GLN 49 -1.730 -0.638 8.096 386 HA GLN 49 HA GLN 49 -4.438 -1.155 7.161 387 1HB GLN 49 HB2 GLN 49 -2.231 0.809 6.631 388 2HB GLN 49 HB3 GLN 49 -3.332 0.543 5.315 389 1HG GLN 49 HG2 GLN 49 -4.234 1.303 8.117 390 2HG GLN 49 HG3 GLN 49 -4.033 2.426 6.759 391 1HE2 GLN 49 HE21 GLN 49 -6.502 2.578 7.711 392 2HE2 GLN 49 HE22 GLN 49 -7.606 1.684 6.657 393 H ALA 50 H ALA 50 -1.351 -2.487 6.395 394 HA ALA 50 HA ALA 50 -1.609 -3.209 3.764 395 1HB ALA 50 HB1 ALA 50 -0.723 -5.164 5.912 396 2HB ALA 50 HB2 ALA 50 -0.180 -5.062 4.225 397 3HB ALA 50 HB3 ALA 50 0.269 -3.801 5.386 398 H GLY 51 H GLY 51 -2.739 -4.797 2.612 399 1HA GLY 51 HA1 GLY 51 -3.952 -6.988 2.832 400 2HA GLY 51 HA2 GLY 51 -5.018 -6.197 4.007 401 H GLY 52 H GLY 52 -5.235 -3.674 2.703 402 1HA GLY 52 HA1 GLY 52 -5.736 -3.042 0.299 403 2HA GLY 52 HA2 GLY 52 -6.744 -4.478 0.232 404 H ASP 53 H ASP 53 -6.352 -1.712 2.560 405 HA ASP 53 HA ASP 53 -8.983 -0.749 1.810 406 1HB ASP 53 HB2 ASP 53 -9.374 -2.686 3.507 407 2HB ASP 53 HB3 ASP 53 -8.626 -1.624 4.710 408 H ALA 54 H ALA 54 -6.407 0.449 1.583 409 HA ALA 54 HA ALA 54 -6.230 2.232 3.995 410 1HB ALA 54 HB1 ALA 54 -4.006 1.700 2.036 411 2HB ALA 54 HB2 ALA 54 -3.948 2.355 3.688 412 3HB ALA 54 HB3 ALA 54 -4.302 0.624 3.405 413 H THR 55 H THR 55 -7.809 2.294 1.265 414 HA THR 55 HA THR 55 -6.640 4.401 -0.252 415 HB THR 55 HB THR 55 -9.573 3.554 -0.040 416 HG1 THR 55 HG1 THR 55 -8.125 1.863 -0.753 417 1HG2 THR 55 HG21 THR 55 -7.932 5.047 -2.102 418 2HG2 THR 55 HG22 THR 55 -9.609 4.506 -2.377 419 3HG2 THR 55 HG23 THR 55 -9.265 5.758 -1.162 420 H ALA 56 H ALA 56 -9.315 4.464 2.133 421 HA ALA 56 HA ALA 56 -9.578 7.294 2.236 422 1HB ALA 56 HB1 ALA 56 -10.274 5.192 4.334 423 2HB ALA 56 HB2 ALA 56 -10.861 6.869 4.288 424 3HB ALA 56 HB3 ALA 56 -11.321 5.737 3.004 425 H ASN 57 H ASN 57 -7.637 4.996 4.161 426 HA ASN 57 HA ASN 57 -6.694 6.862 6.065 427 1HB ASN 57 HB2 ASN 57 -6.545 4.223 5.886 428 2HB ASN 57 HB3 ASN 57 -4.975 4.540 5.150 429 1HD2 ASN 57 HD21 ASN 57 -6.986 4.919 8.072 430 2HD2 ASN 57 HD22 ASN 57 -5.637 5.186 9.162 431 H PHE 58 H PHE 58 -5.161 5.663 3.063 432 HA PHE 58 HA PHE 58 -2.834 7.230 3.041 433 1HB PHE 58 HB2 PHE 58 -3.194 5.341 1.563 434 2HB PHE 58 HB3 PHE 58 -4.564 6.127 0.792 435 HD1 PHE 58 HD1 PHE 58 -4.252 7.514 -1.137 436 HD2 PHE 58 HD2 PHE 58 -0.901 6.468 1.336 437 HE1 PHE 58 HE1 PHE 58 -2.704 8.326 -2.890 438 HE2 PHE 58 HE2 PHE 58 0.664 7.267 -0.429 439 HZ PHE 58 HZ PHE 58 -0.237 8.196 -2.543 440 H GLU 59 H GLU 59 -6.013 7.912 1.427 441 HA GLU 59 HA GLU 59 -5.091 10.396 0.399 442 1HB GLU 59 HB2 GLU 59 -7.287 10.750 -0.411 443 2HB GLU 59 HB3 GLU 59 -6.836 9.058 -0.609 444 1HG GLU 59 HG2 GLU 59 -9.003 8.812 0.144 445 2HG GLU 59 HG3 GLU 59 -8.084 8.709 1.644 446 H ALA 60 H ALA 60 -7.020 9.584 3.320 447 HA ALA 60 HA ALA 60 -7.410 12.168 4.299 448 1HB ALA 60 HB1 ALA 60 -6.947 9.559 5.820 449 2HB ALA 60 HB2 ALA 60 -7.595 11.059 6.521 450 3HB ALA 60 HB3 ALA 60 -8.500 10.209 5.254 451 H VAL 61 H VAL 61 -4.618 9.967 4.854 452 HA VAL 61 HA VAL 61 -3.091 11.717 6.504 453 HB VAL 61 HB VAL 61 -2.326 9.494 4.577 454 1HG1 VAL 61 HG11 VAL 61 -0.233 10.401 4.587 455 2HG1 VAL 61 HG12 VAL 61 -0.550 11.434 5.999 456 3HG1 VAL 61 HG13 VAL 61 -0.181 9.736 6.219 457 1HG2 VAL 61 HG21 VAL 61 -2.110 9.545 7.607 458 2HG2 VAL 61 HG22 VAL 61 -3.583 9.016 6.799 459 3HG2 VAL 61 HG23 VAL 61 -2.067 8.150 6.506 460 H GLY 62 H GLY 62 -3.149 11.302 2.929 461 1HA GLY 62 HA1 GLY 62 -2.904 12.991 1.349 462 2HA GLY 62 HA2 GLY 62 -2.417 14.154 2.592 463 H HIS 63 HN HIS 63 -1.120 13.641 0.010 464 HA HIS 63 HA HIS 63 1.612 12.907 0.746 465 1HB HIS 63 HB2 HIS 63 -0.237 11.203 -0.994 466 2HB HIS 63 HB3 HIS 63 1.505 11.167 -1.156 467 HD1 HIS 63 HND HIS 63 -1.166 10.071 1.442 468 HD2 HIS 63 HD HIS 63 2.912 9.771 0.491 469 HE1 HIS 63 HE HIS 63 -0.202 8.308 2.984 470 H SER 64 H SER 64 3.053 13.490 -1.015 471 HA SER 64 HA SER 64 1.979 15.759 -2.574 472 1HB SER 64 HB2 SER 64 4.461 15.180 -1.172 473 2HB SER 64 HB3 SER 64 4.831 15.596 -2.840 474 HG SER 64 HG SER 64 3.771 17.543 -2.553 475 H THR 65 H THR 65 3.446 16.141 -4.713 476 HA THR 65 HA THR 65 2.543 14.366 -6.721 477 HB THR 65 HB THR 65 4.308 15.680 -8.046 478 HG1 THR 65 HG1 THR 65 5.802 16.457 -6.771 479 1HG2 THR 65 HG21 THR 65 3.173 18.006 -7.149 480 2HG2 THR 65 HG22 THR 65 2.362 16.877 -8.246 481 3HG2 THR 65 HG23 THR 65 2.004 16.840 -6.511 482 H ASP 66 H ASP 66 5.725 14.789 -5.194 483 HA ASP 66 HA ASP 66 7.175 12.806 -6.452 484 1HB ASP 66 HB2 ASP 66 7.659 14.519 -4.361 485 2HB ASP 66 HB3 ASP 66 7.540 13.003 -3.464 486 H ALA 67 H ALA 67 5.043 12.426 -3.638 487 HA ALA 67 HA ALA 67 5.372 9.573 -3.361 488 1HB ALA 67 HB1 ALA 67 3.175 9.758 -2.095 489 2HB ALA 67 HB2 ALA 67 4.543 10.687 -1.454 490 3HB ALA 67 HB3 ALA 67 3.282 11.509 -2.384 491 H ARG 68 H ARG 68 2.958 11.608 -5.090 492 HA ARG 68 HA ARG 68 1.233 9.544 -5.903 493 1HB ARG 68 HB2 ARG 68 1.916 12.209 -7.131 494 2HB ARG 68 HB3 ARG 68 0.763 11.129 -7.899 495 1HG ARG 68 HG2 ARG 68 -0.759 11.214 -6.118 496 2HG ARG 68 HG3 ARG 68 0.424 11.860 -4.979 497 1HD ARG 68 HD2 ARG 68 -0.128 13.929 -5.493 498 2HD ARG 68 HD3 ARG 68 0.184 13.657 -7.228 499 HE ARG 68 HE ARG 68 -2.338 12.548 -6.637 500 1HH1 ARG 68 HH11 ARG 68 -4.227 15.403 -7.515 501 2HH1 ARG 68 HH12 ARG 68 -4.267 13.687 -7.287 502 1HH2 ARG 68 HH21 ARG 68 -2.201 16.591 -7.180 503 2HH2 ARG 68 HH22 ARG 68 -0.788 15.705 -6.698 504 H GLU 69 H GLU 69 4.352 10.690 -7.217 505 HA GLU 69 HA GLU 69 4.264 9.042 -9.665 506 1HB GLU 69 HB2 GLU 69 5.919 11.196 -8.485 507 2HB GLU 69 HB3 GLU 69 6.783 10.084 -9.534 508 1HG GLU 69 HG2 GLU 69 4.142 11.193 -10.522 509 2HG GLU 69 HG3 GLU 69 5.558 12.247 -10.489 510 H LEU 70 H LEU 70 5.942 9.073 -6.535 511 HA LEU 70 HA LEU 70 7.662 6.906 -7.017 512 1HB LEU 70 HB2 LEU 70 7.912 8.532 -5.212 513 2HB LEU 70 HB3 LEU 70 6.433 7.918 -4.469 514 HG LEU 70 HG LEU 70 7.420 6.362 -3.326 515 1HD1 LEU 70 HD11 LEU 70 7.678 4.811 -4.926 516 2HD1 LEU 70 HD12 LEU 70 8.985 5.670 -5.791 517 3HD1 LEU 70 HD13 LEU 70 9.296 4.905 -4.218 518 1HD2 LEU 70 HD21 LEU 70 9.629 6.754 -2.619 519 2HD2 LEU 70 HD22 LEU 70 10.075 7.539 -4.150 520 3HD2 LEU 70 HD23 LEU 70 8.950 8.341 -3.025 521 H SER 71 H SER 71 4.478 7.014 -5.412 522 HA SER 71 HA SER 71 3.940 4.336 -4.976 523 1HB SER 71 HB2 SER 71 1.628 4.827 -5.146 524 2HB SER 71 HB3 SER 71 2.407 6.269 -4.470 525 HG SER 71 HG SER 71 0.849 6.627 -6.216 526 H LYS 72 H LYS 72 3.392 6.029 -8.114 527 HA LYS 72 HA LYS 72 2.637 3.790 -9.593 528 1HB LYS 72 HB2 LYS 72 4.182 6.269 -10.443 529 2HB LYS 72 HB3 LYS 72 3.777 4.989 -11.553 530 1HG LYS 72 HG2 LYS 72 1.381 5.527 -10.078 531 2HG LYS 72 HG3 LYS 72 2.092 7.104 -10.392 532 1HD LYS 72 HD2 LYS 72 1.854 6.945 -12.675 533 2HD LYS 72 HD3 LYS 72 2.037 5.182 -12.722 534 1HE LYS 72 HE2 LYS 72 -0.171 4.799 -11.836 535 2HE LYS 72 HE3 LYS 72 -0.443 6.543 -11.631 536 1HZ LYS 72 HZ1 LYS 72 -0.044 5.109 -14.183 537 2HZ LYS 72 HZ2 LYS 72 -1.448 5.775 -13.660 538 3HZ LYS 72 HZ3 LYS 72 -0.177 6.743 -14.047 539 H THR 73 H THR 73 5.989 4.726 -8.753 540 HA THR 73 HA THR 73 7.242 2.630 -10.302 541 HB THR 73 HB THR 73 8.158 4.460 -8.068 542 HG1 THR 73 HG1 THR 73 8.002 5.153 -10.244 543 1HG2 THR 73 HG21 THR 73 9.805 2.207 -9.238 544 2HG2 THR 73 HG22 THR 73 10.420 3.587 -8.299 545 3HG2 THR 73 HG23 THR 73 9.334 2.424 -7.532 546 H PHE 74 H PHE 74 5.573 2.657 -7.268 547 HA PHE 74 HA PHE 74 6.418 -0.145 -6.653 548 1HB PHE 74 HB2 PHE 74 4.900 1.964 -5.074 549 2HB PHE 74 HB3 PHE 74 4.959 0.284 -4.582 550 HD1 PHE 74 HD1 PHE 74 6.358 3.252 -3.717 551 HD2 PHE 74 HD2 PHE 74 7.440 -0.805 -4.683 552 HE1 PHE 74 HE1 PHE 74 8.486 3.505 -2.463 553 HE2 PHE 74 HE2 PHE 74 9.575 -0.531 -3.465 554 HZ PHE 74 HZ PHE 74 10.099 1.624 -2.363 555 H ILE 75 H ILE 75 4.147 1.249 -8.653 556 HA ILE 75 HA ILE 75 1.799 -0.147 -7.806 557 HB ILE 75 HB ILE 75 2.211 1.756 -9.587 558 1HG1 ILE 75 HG12 ILE 75 -0.066 -0.212 -9.432 559 2HG1 ILE 75 HG13 ILE 75 0.201 1.310 -8.557 560 1HG2 ILE 75 HG21 ILE 75 1.745 -0.622 -11.417 561 2HG2 ILE 75 HG22 ILE 75 1.886 1.087 -11.870 562 3HG2 ILE 75 HG23 ILE 75 3.302 0.234 -11.271 563 1HD1 ILE 75 HD11 ILE 75 0.182 2.515 -10.747 564 2HD1 ILE 75 HD12 ILE 75 -0.452 1.005 -11.473 565 3HD1 ILE 75 HD13 ILE 75 -1.363 1.830 -10.189 566 H ILE 76 H ILE 76 1.210 -2.258 -8.052 567 HA ILE 76 HA ILE 76 2.978 -4.024 -9.747 568 HB ILE 76 HB ILE 76 2.030 -5.831 -8.225 569 1HG1 ILE 76 HG12 ILE 76 1.504 -3.443 -6.379 570 2HG1 ILE 76 HG13 ILE 76 0.256 -4.349 -7.223 571 1HG2 ILE 76 HG21 ILE 76 3.943 -5.697 -6.898 572 2HG2 ILE 76 HG22 ILE 76 4.395 -4.600 -8.195 573 3HG2 ILE 76 HG23 ILE 76 3.801 -3.940 -6.666 574 1HD1 ILE 76 HD11 ILE 76 2.200 -5.897 -5.539 575 2HD1 ILE 76 HD12 ILE 76 1.034 -4.875 -4.713 576 3HD1 ILE 76 HD13 ILE 76 0.462 -6.150 -5.820 577 H GLY 77 H GLY 77 -0.057 -2.579 -9.651 578 1HA GLY 77 HA1 GLY 77 -1.010 -3.110 -12.036 579 2HA GLY 77 HA2 GLY 77 -1.437 -4.637 -11.228 580 H GLU 78 H GLU 78 -3.615 -4.308 -11.094 581 HA GLU 78 HA GLU 78 -4.590 -2.084 -9.427 582 1HB GLU 78 HB2 GLU 78 -5.116 -2.657 -12.295 583 2HB GLU 78 HB3 GLU 78 -6.534 -2.238 -11.334 584 1HG GLU 78 HG2 GLU 78 -5.959 -0.088 -11.168 585 2HG GLU 78 HG3 GLU 78 -4.226 -0.418 -10.918 586 H LEU 79 H LEU 79 -6.916 -2.390 -8.932 587 HA LEU 79 HA LEU 79 -7.168 -4.889 -7.486 588 1HB LEU 79 HB2 LEU 79 -8.046 -2.809 -6.574 589 2HB LEU 79 HB3 LEU 79 -8.991 -2.549 -8.044 590 HG LEU 79 HG LEU 79 -10.070 -4.935 -7.319 591 1HD1 LEU 79 HD11 LEU 79 -9.608 -3.767 -4.629 592 2HD1 LEU 79 HD12 LEU 79 -10.081 -5.415 -5.062 593 3HD1 LEU 79 HD13 LEU 79 -8.404 -4.906 -5.300 594 1HD2 LEU 79 HD21 LEU 79 -11.061 -2.491 -7.521 595 2HD2 LEU 79 HD22 LEU 79 -11.928 -3.833 -6.777 596 3HD2 LEU 79 HD23 LEU 79 -11.118 -2.648 -5.752 597 H HIS 80 H HIS 80 -8.289 -6.707 -8.098 598 HA HIS 80 HA HIS 80 -9.041 -7.256 -10.749 599 1HB HIS 80 HB2 HIS 80 -8.666 -8.757 -8.650 600 2HB HIS 80 HB3 HIS 80 -10.405 -8.593 -8.423 601 HD1 HIS 80 HD1 HIS 80 -11.785 -10.265 -10.000 602 HD2 HIS 80 HD2 HIS 80 -7.688 -9.969 -10.850 603 HE1 HIS 80 HE1 HIS 80 -11.298 -12.010 -11.761 604 HA PRO 81 HA PRO 81 -12.976 -5.228 -11.133 605 1HB PRO 81 HB2 PRO 81 -13.975 -6.479 -13.355 606 2HB PRO 81 HB3 PRO 81 -12.659 -5.273 -13.393 607 1HG PRO 81 HG2 PRO 81 -12.420 -8.289 -13.462 608 2HG PRO 81 HG3 PRO 81 -11.535 -7.087 -14.451 609 1HD PRO 81 HD2 PRO 81 -10.505 -8.285 -12.244 610 2HD PRO 81 HD3 PRO 81 -10.051 -6.628 -12.724 611 H ASP 82 H ASP 82 -12.580 -8.519 -10.238 612 HA ASP 82 HA ASP 82 -15.404 -9.192 -10.000 613 1HB ASP 82 HB2 ASP 82 -13.571 -10.871 -10.219 614 2HB ASP 82 HB3 ASP 82 -13.010 -10.412 -8.568 615 H ASP 83 H ASP 83 -12.951 -7.605 -8.014 616 HA ASP 83 HA ASP 83 -14.393 -7.734 -5.510 617 1HB ASP 83 HB2 ASP 83 -11.984 -7.547 -5.536 618 2HB ASP 83 HB3 ASP 83 -12.073 -6.042 -6.460 619 H ARG 84 H ARG 84 -13.924 -5.259 -8.000 620 HA ARG 84 HA ARG 84 -15.479 -3.160 -6.777 621 1HB ARG 84 HB2 ARG 84 -14.333 -3.756 -9.487 622 2HB ARG 84 HB3 ARG 84 -15.652 -2.591 -9.426 623 1HG ARG 84 HG2 ARG 84 -14.533 -1.110 -7.991 624 2HG ARG 84 HG3 ARG 84 -13.291 -2.273 -7.570 625 1HD ARG 84 HD2 ARG 84 -13.781 -1.062 -10.310 626 2HD ARG 84 HD3 ARG 84 -12.489 -0.547 -9.201 627 HE ARG 84 HE ARG 84 -11.981 -3.228 -9.485 628 1HH1 ARG 84 HH11 ARG 84 -10.448 -3.434 -12.656 629 2HH1 ARG 84 HH12 ARG 84 -10.330 -3.969 -11.018 630 1HH2 ARG 84 HH21 ARG 84 -11.523 -1.383 -13.090 631 2HH2 ARG 84 HH22 ARG 84 -12.504 -0.664 -11.850 632 HHA HEM 201 HGM HEM 201 4.726 11.006 4.972 633 HHB HEM 201 HDM HEM 201 5.825 8.055 -0.671 634 HHC HEM 201 HAM HEM 201 1.004 3.956 0.584 635 HHD HEM 201 HBM HEM 201 0.203 6.661 6.398 636 1HMA HEM 201 HM81 HEM 201 7.799 11.089 0.695 637 2HMA HEM 201 HM82 HEM 201 7.774 9.438 0.074 638 3HMA HEM 201 HM83 HEM 201 6.666 10.654 -0.595 639 1HAA HEM 201 HAA1 HEM 201 6.732 12.495 2.082 640 2HAA HEM 201 HAA2 HEM 201 5.402 12.531 3.219 641 1HBA HEM 201 HBA1 HEM 201 8.234 11.565 3.720 642 2HBA HEM 201 HBA2 HEM 201 6.925 11.318 4.880 643 1HMB HEM 201 HM11 HEM 201 5.075 6.918 -2.725 644 2HMB HEM 201 HM12 HEM 201 5.898 5.502 -2.004 645 3HMB HEM 201 HM13 HEM 201 4.490 5.281 -3.042 646 HAB HEM 201 HT2A HEM 201 2.510 3.078 -1.442 647 1HBB HEM 201 HV2C HEM 201 1.050 5.422 -2.620 648 2HBB HEM 201 HV2T HEM 201 0.909 3.595 -3.021 649 1HMC HEM 201 HM31 HEM 201 -0.774 2.385 2.885 650 2HMC HEM 201 HM32 HEM 201 -2.082 3.559 2.716 651 3HMC HEM 201 HM33 HEM 201 -0.960 3.290 1.377 652 HAC HEM 201 HT4A HEM 201 -1.973 5.474 5.691 653 1HBC HEM 201 HV4C HEM 201 -0.908 2.623 5.337 654 2HBC HEM 201 HV4T HEM 201 -1.911 3.311 6.749 655 1HMD HEM 201 HM51 HEM 201 0.346 8.707 8.198 656 2HMD HEM 201 HM52 HEM 201 1.445 7.329 8.417 657 3HMD HEM 201 HM53 HEM 201 1.917 8.931 8.972 658 1HAD HEM 201 HAD1 HEM 201 3.733 10.122 8.420 659 2HAD HEM 201 HAD2 HEM 201 4.356 11.131 7.142 660 1HBD HEM 201 HBD1 HEM 201 2.667 12.623 7.322 661 2HBD HEM 201 HBD2 HEM 201 1.452 11.382 7.652 Start of MODEL 6 1 1H ALA 3 H1 ALA 3 1.442 -6.854 -19.815 2 2H ALA 3 H2 ALA 3 1.144 -8.451 -19.888 3 3H ALA 3 H3 ALA 3 0.950 -7.534 -21.262 4 HA ALA 3 HA ALA 3 -1.130 -8.160 -19.955 5 1HB ALA 3 HB1 ALA 3 -1.139 -6.387 -21.695 6 2HB ALA 3 HB2 ALA 3 -2.152 -5.937 -20.313 7 3HB ALA 3 HB3 ALA 3 -0.543 -5.210 -20.501 8 H VAL 4 H VAL 4 -2.481 -6.995 -18.112 9 HA VAL 4 HA VAL 4 -0.681 -6.203 -15.860 10 HB VAL 4 HB VAL 4 -3.589 -5.553 -16.395 11 1HG1 VAL 4 HG11 VAL 4 -3.401 -4.105 -14.370 12 2HG1 VAL 4 HG12 VAL 4 -3.270 -5.822 -13.985 13 3HG1 VAL 4 HG13 VAL 4 -1.807 -4.812 -14.038 14 1HG2 VAL 4 HG21 VAL 4 -2.030 -4.204 -17.772 15 2HG2 VAL 4 HG22 VAL 4 -2.742 -3.202 -16.500 16 3HG2 VAL 4 HG23 VAL 4 -1.083 -3.816 -16.317 17 H LYS 5 H LYS 5 -0.668 -7.491 -14.172 18 HA LYS 5 HA LYS 5 -2.501 -9.849 -14.023 19 1HB LYS 5 HB2 LYS 5 -0.147 -10.402 -13.922 20 2HB LYS 5 HB3 LYS 5 0.112 -9.278 -12.573 21 1HG LYS 5 HG2 LYS 5 -1.300 -10.588 -11.107 22 2HG LYS 5 HG3 LYS 5 -1.883 -11.587 -12.449 23 1HD LYS 5 HD2 LYS 5 0.337 -12.540 -12.786 24 2HD LYS 5 HD3 LYS 5 1.025 -11.470 -11.544 25 1HE LYS 5 HE2 LYS 5 -0.387 -12.530 -9.808 26 2HE LYS 5 HE3 LYS 5 -1.173 -13.545 -11.024 27 1HZ LYS 5 HZ1 LYS 5 0.545 -14.703 -9.815 28 2HZ LYS 5 HZ2 LYS 5 0.914 -14.629 -11.414 29 3HZ LYS 5 HZ3 LYS 5 1.694 -13.652 -10.340 30 H TYR 6 H TYR 6 -4.323 -8.680 -13.401 31 HA TYR 6 HA TYR 6 -4.403 -6.861 -11.165 32 1HB TYR 6 HB2 TYR 6 -6.650 -8.593 -12.228 33 2HB TYR 6 HB3 TYR 6 -6.719 -7.113 -11.252 34 HD1 TYR 6 HD1 TYR 6 -6.693 -4.976 -12.218 35 HD2 TYR 6 HD2 TYR 6 -6.058 -8.440 -14.676 36 HE1 TYR 6 HE1 TYR 6 -6.732 -3.532 -14.239 37 HE2 TYR 6 HE2 TYR 6 -6.120 -7.015 -16.702 38 HH TYR 6 HH TYR 6 -6.498 -3.464 -16.529 39 H TYR 7 H TYR 7 -5.332 -7.299 -9.035 40 HA TYR 7 HA TYR 7 -4.988 -10.135 -8.136 41 1HB TYR 7 HB2 TYR 7 -4.233 -7.692 -6.519 42 2HB TYR 7 HB3 TYR 7 -3.955 -9.375 -6.130 43 HD1 TYR 7 HD1 TYR 7 -2.711 -6.441 -7.910 44 HD2 TYR 7 HD2 TYR 7 -2.283 -10.711 -7.537 45 HE1 TYR 7 HE1 TYR 7 -0.465 -6.314 -8.938 46 HE2 TYR 7 HE2 TYR 7 0.001 -10.561 -8.491 47 HH TYR 7 HH TYR 7 1.686 -9.138 -9.193 48 H THR 8 H THR 8 -6.446 -10.939 -6.800 49 HA THR 8 HA THR 8 -8.990 -9.629 -6.452 50 HB THR 8 HB THR 8 -9.170 -12.076 -5.282 51 HG1 THR 8 HG1 THR 8 -7.343 -13.141 -5.530 52 1HG2 THR 8 HG21 THR 8 -8.710 -11.703 -8.270 53 2HG2 THR 8 HG22 THR 8 -9.603 -13.033 -7.508 54 3HG2 THR 8 HG23 THR 8 -10.263 -11.386 -7.445 55 H LEU 9 H LEU 9 -9.977 -9.229 -4.444 56 HA LEU 9 HA LEU 9 -8.467 -7.917 -2.562 57 1HB LEU 9 HB2 LEU 9 -11.119 -8.297 -3.016 58 2HB LEU 9 HB3 LEU 9 -10.983 -9.245 -1.584 59 HG LEU 9 HG LEU 9 -10.261 -6.298 -1.948 60 1HD1 LEU 9 HD11 LEU 9 -12.341 -7.641 -0.167 61 2HD1 LEU 9 HD12 LEU 9 -12.069 -5.894 -0.349 62 3HD1 LEU 9 HD13 LEU 9 -12.681 -6.840 -1.713 63 1HD2 LEU 9 HD21 LEU 9 -9.835 -6.254 0.527 64 2HD2 LEU 9 HD22 LEU 9 -9.891 -8.029 0.538 65 3HD2 LEU 9 HD23 LEU 9 -8.617 -7.168 -0.360 66 H GLU 10 H GLU 10 -9.666 -11.232 -2.453 67 HA GLU 10 HA GLU 10 -8.827 -12.163 0.016 68 1HB GLU 10 HB2 GLU 10 -10.215 -13.370 -1.621 69 2HB GLU 10 HB3 GLU 10 -8.845 -13.569 -2.676 70 1HG GLU 10 HG2 GLU 10 -9.232 -15.642 -1.559 71 2HG GLU 10 HG3 GLU 10 -7.709 -14.983 -0.983 72 H GLU 11 H GLU 11 -6.973 -12.704 -3.025 73 HA GLU 11 HA GLU 11 -4.553 -13.425 -2.005 74 1HB GLU 11 HB2 GLU 11 -5.429 -11.956 -4.486 75 2HB GLU 11 HB3 GLU 11 -3.716 -12.164 -4.154 76 1HG GLU 11 HG2 GLU 11 -4.693 -13.993 -5.581 77 2HG GLU 11 HG3 GLU 11 -3.881 -14.558 -4.112 78 H ILE 12 H ILE 12 -5.523 -10.029 -2.744 79 HA ILE 12 HA ILE 12 -3.093 -8.890 -1.795 80 HB ILE 12 HB ILE 12 -5.831 -7.601 -1.671 81 1HG1 ILE 12 HG12 ILE 12 -3.781 -7.281 -3.917 82 2HG1 ILE 12 HG13 ILE 12 -5.005 -8.519 -4.009 83 1HG2 ILE 12 HG21 ILE 12 -3.116 -6.254 -2.026 84 2HG2 ILE 12 HG22 ILE 12 -4.664 -5.478 -1.689 85 3HG2 ILE 12 HG23 ILE 12 -3.863 -6.433 -0.440 86 1HD1 ILE 12 HD11 ILE 12 -5.541 -5.547 -3.788 87 2HD1 ILE 12 HD12 ILE 12 -5.774 -6.574 -5.205 88 3HD1 ILE 12 HD13 ILE 12 -6.786 -6.823 -3.782 89 H GLN 13 H GLN 13 -6.043 -9.724 0.038 90 HA GLN 13 HA GLN 13 -5.148 -8.856 2.592 91 1HB GLN 13 HB2 GLN 13 -7.362 -10.564 1.487 92 2HB GLN 13 HB3 GLN 13 -6.944 -10.810 3.158 93 1HG GLN 13 HG2 GLN 13 -7.605 -8.112 1.907 94 2HG GLN 13 HG3 GLN 13 -8.768 -9.128 2.772 95 1HE2 GLN 13 HE21 GLN 13 -8.144 -6.436 3.555 96 2HE2 GLN 13 HE22 GLN 13 -7.382 -6.533 5.134 97 H LYS 14 H LYS 14 -3.959 -11.548 0.808 98 HA LYS 14 HA LYS 14 -3.061 -12.990 3.211 99 1HB LYS 14 HB2 LYS 14 -1.968 -13.194 0.391 100 2HB LYS 14 HB3 LYS 14 -1.802 -14.358 1.693 101 1HG LYS 14 HG2 LYS 14 -4.416 -13.628 0.337 102 2HG LYS 14 HG3 LYS 14 -3.412 -14.982 -0.139 103 1HD LYS 14 HD2 LYS 14 -3.822 -16.166 1.883 104 2HD LYS 14 HD3 LYS 14 -4.505 -14.730 2.692 105 1HE LYS 14 HE2 LYS 14 -6.407 -14.665 1.196 106 2HE LYS 14 HE3 LYS 14 -5.752 -15.959 0.182 107 1HZ LYS 14 HZ1 LYS 14 -6.127 -17.493 1.946 108 2HZ LYS 14 HZ2 LYS 14 -6.593 -16.281 2.988 109 3HZ LYS 14 HZ3 LYS 14 -7.493 -16.612 1.669 110 H HIS 15 H HIS 15 -1.974 -10.334 1.163 111 HA HIS 15 HA HIS 15 0.860 -10.653 2.020 112 1HB HIS 15 HB2 HIS 15 -0.505 -8.966 -0.082 113 2HB HIS 15 HB3 HIS 15 1.191 -8.777 0.390 114 HD1 HIS 15 HD1 HIS 15 2.870 -10.216 -0.886 115 HD2 HIS 15 HD2 HIS 15 -1.057 -11.638 -1.028 116 HE1 HIS 15 HE1 HIS 15 2.844 -12.098 -2.624 117 H ASN 16 H ASN 16 -0.149 -10.106 4.278 118 HA ASN 16 HA ASN 16 0.351 -7.258 4.833 119 1HB ASN 16 HB2 ASN 16 -1.862 -6.905 5.853 120 2HB ASN 16 HB3 ASN 16 -1.940 -7.150 4.093 121 1HD2 ASN 16 HD21 ASN 16 -4.205 -7.288 5.402 122 2HD2 ASN 16 HD22 ASN 16 -4.801 -8.951 5.339 123 H ASN 17 H ASN 17 2.036 -8.693 5.831 124 HA ASN 17 HA ASN 17 1.419 -8.622 8.703 125 1HB ASN 17 HB2 ASN 17 0.604 -10.862 8.131 126 2HB ASN 17 HB3 ASN 17 2.173 -11.281 7.447 127 1HD2 ASN 17 HD21 ASN 17 0.728 -12.625 9.621 128 2HD2 ASN 17 HD22 ASN 17 1.776 -12.520 11.024 129 H SER 18 H SER 18 3.826 -10.131 6.548 130 HA SER 18 HA SER 18 5.938 -8.299 7.356 131 1HB SER 18 HB2 SER 18 5.823 -9.660 9.400 132 2HB SER 18 HB3 SER 18 5.920 -11.151 8.455 133 HG SER 18 HG SER 18 7.921 -9.135 8.590 134 H LYS 19 H LYS 19 5.212 -11.580 6.095 135 HA LYS 19 HA LYS 19 7.226 -11.912 4.223 136 1HB LYS 19 HB2 LYS 19 4.252 -12.580 4.085 137 2HB LYS 19 HB3 LYS 19 5.410 -13.074 2.853 138 1HG LYS 19 HG2 LYS 19 5.953 -14.857 3.988 139 2HG LYS 19 HG3 LYS 19 6.619 -13.859 5.290 140 1HD LYS 19 HD2 LYS 19 4.516 -13.925 6.514 141 2HD LYS 19 HD3 LYS 19 3.648 -14.544 5.105 142 1HE LYS 19 HE2 LYS 19 4.007 -16.321 6.761 143 2HE LYS 19 HE3 LYS 19 4.752 -16.684 5.201 144 1HZ LYS 19 HZ1 LYS 19 6.186 -15.688 7.581 145 2HZ LYS 19 HZ2 LYS 19 6.192 -17.232 7.020 146 3HZ LYS 19 HZ3 LYS 19 6.873 -16.039 6.124 147 H SER 20 H SER 20 4.204 -9.910 3.763 148 HA SER 20 HA SER 20 5.714 -8.065 2.337 149 1HB SER 20 HB2 SER 20 4.072 -8.246 0.260 150 2HB SER 20 HB3 SER 20 5.565 -9.190 0.314 151 HG SER 20 HG SER 20 4.346 -10.928 1.143 152 H THR 21 H THR 21 4.166 -6.325 1.441 153 HA THR 21 HA THR 21 1.766 -5.951 3.130 154 HB THR 21 HB THR 21 4.249 -4.217 3.092 155 HG1 THR 21 HG1 THR 21 3.860 -4.433 5.351 156 1HG2 THR 21 HG21 THR 21 1.396 -3.371 3.454 157 2HG2 THR 21 HG22 THR 21 2.598 -2.718 4.583 158 3HG2 THR 21 HG23 THR 21 2.780 -2.471 2.840 159 H TRP 22 H TRP 22 0.553 -6.281 1.308 160 HA TRP 22 HA TRP 22 0.771 -4.344 -0.928 161 1HB TRP 22 HB2 TRP 22 -0.960 -6.810 -0.583 162 2HB TRP 22 HB3 TRP 22 -0.943 -5.719 -1.959 163 HD1 TRP 22 HD1 TRP 22 2.560 -6.384 -1.029 164 HE1 TRP 22 HE1 TRP 22 3.641 -7.875 -2.714 165 HE3 TRP 22 HE3 TRP 22 -1.673 -8.018 -3.360 166 HZ2 TRP 22 HZ2 TRP 22 2.757 -9.737 -4.826 167 HZ3 TRP 22 HZ3 TRP 22 -1.546 -9.682 -5.164 168 HH2 TRP 22 HH2 TRP 22 0.670 -10.565 -5.913 169 H LEU 23 H LEU 23 -1.353 -3.340 -1.516 170 HA LEU 23 HA LEU 23 -3.599 -3.354 0.194 171 1HB LEU 23 HB2 LEU 23 -3.329 -0.955 1.049 172 2HB LEU 23 HB3 LEU 23 -2.451 -2.226 1.857 173 HG LEU 23 HG LEU 23 -0.431 -1.549 0.269 174 1HD1 LEU 23 HD11 LEU 23 -1.813 0.090 -1.097 175 2HD1 LEU 23 HD12 LEU 23 -2.015 1.018 0.411 176 3HD1 LEU 23 HD13 LEU 23 -0.406 0.813 -0.303 177 1HD2 LEU 23 HD21 LEU 23 0.218 0.149 1.924 178 2HD2 LEU 23 HD22 LEU 23 -1.441 0.101 2.594 179 3HD2 LEU 23 HD23 LEU 23 -0.396 -1.339 2.678 180 H ILE 24 H ILE 24 -5.035 -1.452 -0.391 181 HA ILE 24 HA ILE 24 -4.881 -1.069 -3.358 182 HB ILE 24 HB ILE 24 -7.291 -1.550 -1.584 183 1HG1 ILE 24 HG12 ILE 24 -6.373 -3.115 -4.035 184 2HG1 ILE 24 HG13 ILE 24 -5.811 -3.521 -2.412 185 1HG2 ILE 24 HG21 ILE 24 -8.574 -1.389 -3.776 186 2HG2 ILE 24 HG22 ILE 24 -7.897 0.142 -3.259 187 3HG2 ILE 24 HG23 ILE 24 -7.084 -0.795 -4.531 188 1HD1 ILE 24 HD11 ILE 24 -8.743 -3.503 -3.258 189 2HD1 ILE 24 HD12 ILE 24 -7.741 -4.915 -2.919 190 3HD1 ILE 24 HD13 ILE 24 -8.149 -3.797 -1.617 191 H LEU 25 H LEU 25 -4.427 0.986 -3.798 192 HA LEU 25 HA LEU 25 -5.830 3.193 -2.319 193 1HB LEU 25 HB2 LEU 25 -3.069 3.054 -3.493 194 2HB LEU 25 HB3 LEU 25 -3.959 4.555 -3.319 195 HG LEU 25 HG LEU 25 -3.665 4.797 -1.182 196 1HD1 LEU 25 HD11 LEU 25 -3.574 1.820 -0.881 197 2HD1 LEU 25 HD12 LEU 25 -3.340 2.980 0.460 198 3HD1 LEU 25 HD13 LEU 25 -4.869 2.949 -0.422 199 1HD2 LEU 25 HD21 LEU 25 -1.382 4.076 -0.503 200 2HD2 LEU 25 HD22 LEU 25 -1.345 2.898 -1.815 201 3HD2 LEU 25 HD23 LEU 25 -1.426 4.637 -2.183 202 H HIS 26 H HIS 26 -7.541 3.625 -3.535 203 HA HIS 26 HA HIS 26 -8.829 4.218 -5.287 204 1HB HIS 26 HB2 HIS 26 -6.285 5.081 -6.678 205 2HB HIS 26 HB3 HIS 26 -7.927 5.643 -6.997 206 HD1 HIS 26 HD1 HIS 26 -8.999 7.297 -5.022 207 HD2 HIS 26 HD2 HIS 26 -4.976 6.150 -4.679 208 HE1 HIS 26 HE1 HIS 26 -7.950 8.848 -3.285 209 H TYR 27 H TYR 27 -8.382 1.580 -5.169 210 HA TYR 27 HA TYR 27 -8.663 -0.356 -6.252 211 1HB TYR 27 HB2 TYR 27 -8.962 1.145 -8.861 212 2HB TYR 27 HB3 TYR 27 -9.572 -0.442 -8.433 213 HD1 TYR 27 HD1 TYR 27 -11.134 -0.470 -6.221 214 HD2 TYR 27 HD2 TYR 27 -10.538 2.908 -8.836 215 HE1 TYR 27 HE1 TYR 27 -13.313 0.440 -5.529 216 HE2 TYR 27 HE2 TYR 27 -12.729 3.830 -8.127 217 HH TYR 27 HH TYR 27 -14.858 2.139 -5.815 218 H LYS 28 H LYS 28 -5.872 1.287 -6.450 219 HA LYS 28 HA LYS 28 -4.602 -0.557 -8.423 220 1HB LYS 28 HB2 LYS 28 -3.777 2.194 -7.471 221 2HB LYS 28 HB3 LYS 28 -2.855 1.153 -8.575 222 1HG LYS 28 HG2 LYS 28 -4.793 1.128 -10.120 223 2HG LYS 28 HG3 LYS 28 -5.706 2.153 -8.991 224 1HD LYS 28 HD2 LYS 28 -3.826 3.884 -9.329 225 2HD LYS 28 HD3 LYS 28 -3.339 2.894 -10.713 226 1HE LYS 28 HE2 LYS 28 -5.886 4.475 -10.252 227 2HE LYS 28 HE3 LYS 28 -4.810 4.509 -11.655 228 1HZ LYS 28 HZ1 LYS 28 -5.745 2.173 -12.147 229 2HZ LYS 28 HZ2 LYS 28 -6.759 2.410 -10.923 230 3HZ LYS 28 HZ3 LYS 28 -6.824 3.389 -12.223 231 H VAL 29 H VAL 29 -3.067 -1.981 -7.704 232 HA VAL 29 HA VAL 29 -2.861 -2.189 -4.787 233 HB VAL 29 HB VAL 29 -1.887 -4.241 -6.756 234 1HG1 VAL 29 HG11 VAL 29 -1.256 -4.341 -4.272 235 2HG1 VAL 29 HG12 VAL 29 -2.982 -4.449 -3.908 236 3HG1 VAL 29 HG13 VAL 29 -2.195 -5.729 -4.853 237 1HG2 VAL 29 HG21 VAL 29 -4.076 -5.370 -6.381 238 2HG2 VAL 29 HG22 VAL 29 -4.694 -3.877 -5.641 239 3HG2 VAL 29 HG23 VAL 29 -4.198 -3.896 -7.348 240 H TYR 30 H TYR 30 -1.029 -1.791 -3.707 241 HA TYR 30 HA TYR 30 1.533 -1.287 -5.194 242 1HB TYR 30 HB2 TYR 30 0.339 0.115 -2.772 243 2HB TYR 30 HB3 TYR 30 1.936 0.427 -3.430 244 HD1 TYR 30 HD1 TYR 30 -1.679 0.949 -3.842 245 HD2 TYR 30 HD2 TYR 30 2.135 1.392 -5.757 246 HE1 TYR 30 HE1 TYR 30 -2.693 2.445 -5.528 247 HE2 TYR 30 HE2 TYR 30 1.115 2.980 -7.403 248 HH TYR 30 HH TYR 30 -2.314 3.915 -7.214 249 H ASP 31 H ASP 31 3.066 -2.789 -4.590 250 HA ASP 31 HA ASP 31 2.920 -4.004 -1.866 251 1HB ASP 31 HB2 ASP 31 3.385 -5.544 -3.781 252 2HB ASP 31 HB3 ASP 31 4.882 -4.660 -4.093 253 H LEU 32 H LEU 32 3.997 -2.865 -0.336 254 HA LEU 32 HA LEU 32 6.431 -1.345 -1.143 255 1HB LEU 32 HB2 LEU 32 4.570 -0.624 1.091 256 2HB LEU 32 HB3 LEU 32 5.872 0.334 0.481 257 HG LEU 32 HG LEU 32 4.154 -0.167 -1.783 258 1HD1 LEU 32 HD11 LEU 32 2.667 1.047 0.573 259 2HD1 LEU 32 HD12 LEU 32 2.048 0.730 -1.065 260 3HD1 LEU 32 HD13 LEU 32 2.427 -0.619 0.001 261 1HD2 LEU 32 HD21 LEU 32 5.797 1.636 -1.354 262 2HD2 LEU 32 HD22 LEU 32 4.248 2.148 -2.016 263 3HD2 LEU 32 HD23 LEU 32 4.608 2.399 -0.277 264 H THR 33 H THR 33 5.967 -4.202 -0.136 265 HA THR 33 HA THR 33 6.680 -4.543 2.502 266 HB THR 33 HB THR 33 6.137 -6.327 0.965 267 HG1 THR 33 HG1 THR 33 7.418 -6.704 2.931 268 1HG2 THR 33 HG21 THR 33 8.945 -6.371 -0.137 269 2HG2 THR 33 HG22 THR 33 7.537 -7.355 -0.571 270 3HG2 THR 33 HG23 THR 33 7.570 -5.643 -1.007 271 H LYS 34 H LYS 34 8.918 -3.938 -0.184 272 HA LYS 34 HA LYS 34 11.237 -4.130 1.570 273 1HB LYS 34 HB2 LYS 34 10.904 -4.696 -1.009 274 2HB LYS 34 HB3 LYS 34 11.516 -3.058 -1.208 275 1HG LYS 34 HG2 LYS 34 12.882 -5.324 0.375 276 2HG LYS 34 HG3 LYS 34 13.169 -4.923 -1.306 277 1HD LYS 34 HD2 LYS 34 14.928 -3.779 -0.422 278 2HD LYS 34 HD3 LYS 34 13.713 -2.505 -0.398 279 1HE LYS 34 HE2 LYS 34 13.297 -3.634 2.094 280 2HE LYS 34 HE3 LYS 34 14.984 -4.063 1.867 281 1HZ LYS 34 HZ1 LYS 34 14.536 -1.965 2.993 282 2HZ LYS 34 HZ2 LYS 34 15.425 -1.658 1.627 283 3HZ LYS 34 HZ3 LYS 34 13.855 -1.317 1.645 284 H PHE 35 H PHE 35 8.920 -1.807 1.335 285 HA PHE 35 HA PHE 35 10.755 0.521 1.570 286 1HB PHE 35 HB2 PHE 35 8.796 0.210 -0.280 287 2HB PHE 35 HB3 PHE 35 7.835 0.639 1.073 288 HD1 PHE 35 HD1 PHE 35 11.138 1.857 -0.294 289 HD2 PHE 35 HD2 PHE 35 7.187 2.928 1.080 290 HE1 PHE 35 HE1 PHE 35 11.692 4.226 -0.574 291 HE2 PHE 35 HE2 PHE 35 7.734 5.323 0.739 292 HZ PHE 35 HZ PHE 35 9.992 5.984 -0.075 293 H LEU 36 H LEU 36 9.103 -1.704 3.515 294 HA LEU 36 HA LEU 36 7.460 -0.093 5.116 295 1HB LEU 36 HB2 LEU 36 9.150 -2.556 5.721 296 2HB LEU 36 HB3 LEU 36 8.021 -1.881 6.896 297 HG LEU 36 HG LEU 36 7.179 -2.783 4.114 298 1HD1 LEU 36 HD11 LEU 36 6.974 -4.231 6.784 299 2HD1 LEU 36 HD12 LEU 36 6.339 -4.811 5.225 300 3HD1 LEU 36 HD13 LEU 36 8.091 -4.647 5.466 301 1HD2 LEU 36 HD21 LEU 36 4.920 -2.779 5.154 302 2HD2 LEU 36 HD22 LEU 36 5.603 -2.018 6.605 303 3HD2 LEU 36 HD23 LEU 36 5.623 -1.177 5.035 304 H GLU 37 H GLU 37 10.859 -1.004 5.813 305 HA GLU 37 HA GLU 37 11.105 0.748 8.053 306 1HB GLU 37 HB2 GLU 37 13.437 0.284 7.933 307 2HB GLU 37 HB3 GLU 37 12.539 -1.215 7.705 308 1HG GLU 37 HG2 GLU 37 13.731 0.344 5.357 309 2HG GLU 37 HG3 GLU 37 14.648 -0.795 6.321 310 H GLU 38 H GLU 38 11.492 1.190 4.609 311 HA GLU 38 HA GLU 38 12.950 3.647 4.663 312 1HB GLU 38 HB2 GLU 38 11.227 2.501 2.457 313 2HB GLU 38 HB3 GLU 38 12.525 3.654 2.274 314 1HG GLU 38 HG2 GLU 38 14.076 1.887 3.331 315 2HG GLU 38 HG3 GLU 38 12.770 0.719 3.079 316 H HIS 39 HN HIS 39 9.502 2.861 4.506 317 HA HIS 39 HA HIS 39 8.487 5.314 3.677 318 1HB HIS 39 HB2 HIS 39 7.201 3.276 3.657 319 2HB HIS 39 HB3 HIS 39 7.254 3.165 5.417 320 HD1 HIS 39 HND HIS 39 5.023 3.893 6.469 321 HD2 HIS 39 HD HIS 39 5.896 5.752 2.785 322 HE1 HIS 39 HE HIS 39 3.007 5.312 5.871 323 HA PRO 40 HA PRO 40 9.605 7.490 7.512 324 1HB PRO 40 HB2 PRO 40 8.811 10.028 6.880 325 2HB PRO 40 HB3 PRO 40 10.269 9.259 6.187 326 1HG PRO 40 HG2 PRO 40 7.508 9.400 4.960 327 2HG PRO 40 HG3 PRO 40 9.060 9.851 4.190 328 1HD PRO 40 HD2 PRO 40 7.924 7.437 3.781 329 2HD PRO 40 HD3 PRO 40 9.700 7.559 3.984 330 H GLY 41 H GLY 41 6.390 7.389 6.032 331 1HA GLY 41 HA1 GLY 41 4.892 8.321 8.305 332 2HA GLY 41 HA2 GLY 41 4.315 7.307 6.974 333 H GLY 42 H GLY 42 6.875 5.540 8.025 334 1HA GLY 42 HA1 GLY 42 7.265 4.243 9.900 335 2HA GLY 42 HA2 GLY 42 5.588 4.385 10.437 336 H GLU 43 H GLU 43 7.409 2.040 9.869 337 HA GLU 43 HA GLU 43 6.245 0.505 7.755 338 1HB GLU 43 HB2 GLU 43 7.204 -1.411 9.010 339 2HB GLU 43 HB3 GLU 43 8.374 -0.155 8.613 340 1HG GLU 43 HG2 GLU 43 8.512 0.627 10.874 341 2HG GLU 43 HG3 GLU 43 7.165 -0.402 11.398 342 H ALA 44 H ALA 44 5.563 0.838 11.231 343 HA ALA 44 HA ALA 44 3.694 -1.218 11.542 344 1HB ALA 44 HB1 ALA 44 4.689 0.017 13.419 345 2HB ALA 44 HB2 ALA 44 3.787 1.480 12.964 346 3HB ALA 44 HB3 ALA 44 2.918 0.034 13.522 347 H VAL 45 H VAL 45 3.115 2.201 10.715 348 HA VAL 45 HA VAL 45 0.310 2.142 10.530 349 HB VAL 45 HB VAL 45 2.450 3.836 9.181 350 1HG1 VAL 45 HG11 VAL 45 0.592 5.515 8.857 351 2HG1 VAL 45 HG12 VAL 45 0.560 4.116 7.785 352 3HG1 VAL 45 HG13 VAL 45 -0.565 4.205 9.175 353 1HG2 VAL 45 HG21 VAL 45 2.334 3.993 11.663 354 2HG2 VAL 45 HG22 VAL 45 1.780 5.487 10.903 355 3HG2 VAL 45 HG23 VAL 45 0.596 4.340 11.556 356 H LEU 46 H LEU 46 2.732 1.697 7.883 357 HA LEU 46 HA LEU 46 0.840 1.002 5.873 358 1HB LEU 46 HB2 LEU 46 3.785 0.502 6.332 359 2HB LEU 46 HB3 LEU 46 2.978 -0.435 5.079 360 HG LEU 46 HG LEU 46 2.904 2.597 5.148 361 1HD1 LEU 46 HD11 LEU 46 4.617 2.451 3.355 362 2HD1 LEU 46 HD12 LEU 46 5.229 1.731 4.860 363 3HD1 LEU 46 HD13 LEU 46 4.674 0.689 3.537 364 1HD2 LEU 46 HD21 LEU 46 1.067 1.598 3.810 365 2HD2 LEU 46 HD22 LEU 46 2.292 2.274 2.736 366 3HD2 LEU 46 HD23 LEU 46 2.233 0.524 3.009 367 H ARG 47 H ARG 47 2.554 -1.038 8.237 368 HA ARG 47 HA ARG 47 1.796 -3.545 7.107 369 1HB ARG 47 HB2 ARG 47 3.722 -3.168 8.599 370 2HB ARG 47 HB3 ARG 47 2.623 -2.805 9.944 371 1HG ARG 47 HG2 ARG 47 1.706 -5.105 9.815 372 2HG ARG 47 HG3 ARG 47 2.782 -5.468 8.457 373 1HD ARG 47 HD2 ARG 47 3.695 -4.643 11.265 374 2HD ARG 47 HD3 ARG 47 3.572 -6.291 10.689 375 HE ARG 47 HE ARG 47 5.282 -6.023 9.129 376 1HH1 ARG 47 HH11 ARG 47 8.062 -3.929 9.901 377 2HH1 ARG 47 HH12 ARG 47 7.594 -5.337 8.942 378 1HH2 ARG 47 HH21 ARG 47 6.769 -2.811 11.086 379 2HH2 ARG 47 HH22 ARG 47 5.030 -3.111 11.236 380 H ALA 48 H ALA 48 0.352 -1.412 9.533 381 HA ALA 48 HA ALA 48 -1.725 -3.154 10.430 382 1HB ALA 48 HB1 ALA 48 -0.912 -1.225 11.684 383 2HB ALA 48 HB2 ALA 48 -1.423 -0.124 10.397 384 3HB ALA 48 HB3 ALA 48 -2.648 -1.019 11.338 385 H GLN 49 H GLN 49 -1.671 -0.502 7.957 386 HA GLN 49 HA GLN 49 -4.429 -1.028 7.179 387 1HB GLN 49 HB2 GLN 49 -2.188 0.814 6.382 388 2HB GLN 49 HB3 GLN 49 -3.498 0.587 5.240 389 1HG GLN 49 HG2 GLN 49 -3.903 1.440 8.134 390 2HG GLN 49 HG3 GLN 49 -3.870 2.530 6.733 391 1HE2 GLN 49 HE21 GLN 49 -6.113 2.542 8.390 392 2HE2 GLN 49 HE22 GLN 49 -7.438 1.843 7.467 393 H ALA 50 H ALA 50 -1.407 -2.462 6.301 394 HA ALA 50 HA ALA 50 -1.716 -3.172 3.707 395 1HB ALA 50 HB1 ALA 50 -0.770 -5.036 5.907 396 2HB ALA 50 HB2 ALA 50 -0.332 -5.101 4.181 397 3HB ALA 50 HB3 ALA 50 0.188 -3.745 5.204 398 H GLY 51 H GLY 51 -2.827 -4.659 2.472 399 1HA GLY 51 HA1 GLY 51 -3.857 -6.915 2.527 400 2HA GLY 51 HA2 GLY 51 -4.962 -6.327 3.781 401 H GLY 52 H GLY 52 -5.341 -3.643 2.544 402 1HA GLY 52 HA1 GLY 52 -6.373 -3.538 0.031 403 2HA GLY 52 HA2 GLY 52 -7.601 -4.476 0.922 404 H ASP 53 H ASP 53 -8.811 -2.452 0.317 405 HA ASP 53 HA ASP 53 -9.101 -0.131 0.455 406 1HB ASP 53 HB2 ASP 53 -11.031 -1.483 1.179 407 2HB ASP 53 HB3 ASP 53 -10.459 -1.386 2.855 408 H ALA 54 H ALA 54 -6.857 0.537 0.918 409 HA ALA 54 HA ALA 54 -6.781 1.985 3.557 410 1HB ALA 54 HB1 ALA 54 -4.481 1.228 1.722 411 2HB ALA 54 HB2 ALA 54 -4.382 2.199 3.213 412 3HB ALA 54 HB3 ALA 54 -4.859 0.480 3.289 413 H THR 55 H THR 55 -8.059 2.399 0.671 414 HA THR 55 HA THR 55 -6.605 4.556 -0.522 415 HB THR 55 HB THR 55 -9.568 3.826 -0.713 416 HG1 THR 55 HG1 THR 55 -7.710 2.294 -1.386 417 1HG2 THR 55 HG21 THR 55 -7.723 5.503 -2.474 418 2HG2 THR 55 HG22 THR 55 -9.373 5.000 -2.926 419 3HG2 THR 55 HG23 THR 55 -9.124 6.107 -1.566 420 H ALA 56 H ALA 56 -9.479 4.481 1.624 421 HA ALA 56 HA ALA 56 -9.736 7.293 1.905 422 1HB ALA 56 HB1 ALA 56 -10.514 5.056 3.838 423 2HB ALA 56 HB2 ALA 56 -11.100 6.733 3.890 424 3HB ALA 56 HB3 ALA 56 -11.514 5.693 2.513 425 H ASN 57 H ASN 57 -7.956 4.899 3.927 426 HA ASN 57 HA ASN 57 -7.138 6.785 5.876 427 1HB ASN 57 HB2 ASN 57 -7.034 4.221 5.968 428 2HB ASN 57 HB3 ASN 57 -5.515 4.341 5.072 429 1HD2 ASN 57 HD21 ASN 57 -7.209 5.225 8.104 430 2HD2 ASN 57 HD22 ASN 57 -5.743 5.527 9.022 431 H PHE 58 H PHE 58 -5.419 5.561 2.981 432 HA PHE 58 HA PHE 58 -3.110 7.124 3.055 433 1HB PHE 58 HB2 PHE 58 -3.476 5.308 1.485 434 2HB PHE 58 HB3 PHE 58 -4.779 6.181 0.700 435 HD1 PHE 58 HD1 PHE 58 -1.103 6.233 1.332 436 HD2 PHE 58 HD2 PHE 58 -4.345 7.760 -1.062 437 HE1 PHE 58 HE1 PHE 58 0.525 7.035 -0.361 438 HE2 PHE 58 HE2 PHE 58 -2.721 8.592 -2.728 439 HZ PHE 58 HZ PHE 58 -0.278 8.209 -2.398 440 H GLU 59 H GLU 59 -6.235 7.998 1.370 441 HA GLU 59 HA GLU 59 -5.133 10.510 0.580 442 1HB GLU 59 HB2 GLU 59 -7.190 10.988 -0.449 443 2HB GLU 59 HB3 GLU 59 -6.744 9.309 -0.738 444 1HG GLU 59 HG2 GLU 59 -8.995 9.079 -0.317 445 2HG GLU 59 HG3 GLU 59 -8.316 8.801 1.290 446 H ALA 60 H ALA 60 -7.318 9.567 3.224 447 HA ALA 60 HA ALA 60 -7.850 12.060 4.343 448 1HB ALA 60 HB1 ALA 60 -8.094 10.830 6.488 449 2HB ALA 60 HB2 ALA 60 -8.882 9.993 5.138 450 3HB ALA 60 HB3 ALA 60 -7.324 9.406 5.757 451 H VAL 61 H VAL 61 -4.982 9.936 4.944 452 HA VAL 61 HA VAL 61 -3.618 11.853 6.616 453 HB VAL 61 HB VAL 61 -2.626 9.528 4.920 454 1HG1 VAL 61 HG11 VAL 61 -0.533 9.703 6.217 455 2HG1 VAL 61 HG12 VAL 61 -0.749 11.113 5.191 456 3HG1 VAL 61 HG13 VAL 61 -1.088 11.231 6.931 457 1HG2 VAL 61 HG21 VAL 61 -2.897 9.857 7.946 458 2HG2 VAL 61 HG22 VAL 61 -4.074 9.001 6.943 459 3HG2 VAL 61 HG23 VAL 61 -2.420 8.388 7.071 460 H GLY 62 H GLY 62 -3.482 11.162 3.099 461 1HA GLY 62 HA1 GLY 62 -3.206 12.722 1.395 462 2HA GLY 62 HA2 GLY 62 -2.663 13.959 2.539 463 H HIS 63 HN HIS 63 -1.387 13.063 -0.003 464 HA HIS 63 HA HIS 63 1.319 12.437 0.954 465 1HB HIS 63 HB2 HIS 63 -0.391 10.616 -0.781 466 2HB HIS 63 HB3 HIS 63 1.358 10.654 -0.955 467 HD1 HIS 63 HND HIS 63 -1.208 9.799 1.852 468 HD2 HIS 63 HD HIS 63 2.788 9.242 0.662 469 HE1 HIS 63 HE HIS 63 -0.204 8.126 3.461 470 H SER 64 H SER 64 2.857 13.248 -0.449 471 HA SER 64 HA SER 64 1.934 15.419 -2.117 472 1HB SER 64 HB2 SER 64 4.748 14.404 -1.500 473 2HB SER 64 HB3 SER 64 4.354 15.931 -2.302 474 HG SER 64 HG SER 64 3.759 15.189 0.364 475 H THR 65 H THR 65 3.283 15.848 -4.250 476 HA THR 65 HA THR 65 2.452 14.133 -6.332 477 HB THR 65 HB THR 65 4.320 15.539 -7.512 478 HG1 THR 65 HG1 THR 65 5.065 17.251 -6.190 479 1HG2 THR 65 HG21 THR 65 2.102 16.990 -5.978 480 2HG2 THR 65 HG22 THR 65 2.968 17.611 -7.398 481 3HG2 THR 65 HG23 THR 65 1.925 16.188 -7.554 482 H ASP 66 H ASP 66 5.729 14.653 -5.045 483 HA ASP 66 HA ASP 66 7.197 12.614 -6.202 484 1HB ASP 66 HB2 ASP 66 8.043 14.196 -4.451 485 2HB ASP 66 HB3 ASP 66 7.090 13.411 -3.212 486 H ALA 67 H ALA 67 5.365 12.260 -3.244 487 HA ALA 67 HA ALA 67 5.664 9.464 -2.948 488 1HB ALA 67 HB1 ALA 67 3.802 9.543 -1.374 489 2HB ALA 67 HB2 ALA 67 4.929 10.892 -1.108 490 3HB ALA 67 HB3 ALA 67 3.379 11.177 -1.926 491 H ARG 68 H ARG 68 3.176 11.311 -4.674 492 HA ARG 68 HA ARG 68 1.433 9.194 -5.435 493 1HB ARG 68 HB2 ARG 68 1.599 11.972 -5.880 494 2HB ARG 68 HB3 ARG 68 1.891 11.302 -7.472 495 1HG ARG 68 HG2 ARG 68 -0.373 11.610 -7.448 496 2HG ARG 68 HG3 ARG 68 -0.259 9.890 -7.067 497 1HD ARG 68 HD2 ARG 68 -0.631 10.322 -4.700 498 2HD ARG 68 HD3 ARG 68 -0.446 12.055 -4.889 499 HE ARG 68 HE ARG 68 -2.825 10.477 -5.317 500 1HH1 ARG 68 HH11 ARG 68 -4.705 13.172 -6.601 501 2HH1 ARG 68 HH12 ARG 68 -4.775 11.583 -5.915 502 1HH2 ARG 68 HH21 ARG 68 -2.600 14.243 -6.881 503 2HH2 ARG 68 HH22 ARG 68 -1.168 13.382 -6.405 504 H GLU 69 H GLU 69 4.440 10.524 -6.820 505 HA GLU 69 HA GLU 69 4.311 8.904 -9.247 506 1HB GLU 69 HB2 GLU 69 6.235 10.811 -7.976 507 2HB GLU 69 HB3 GLU 69 6.733 9.933 -9.403 508 1HG GLU 69 HG2 GLU 69 4.282 11.754 -9.159 509 2HG GLU 69 HG3 GLU 69 5.795 12.147 -9.983 510 H LEU 70 H LEU 70 6.076 8.838 -6.233 511 HA LEU 70 HA LEU 70 7.678 6.634 -6.634 512 1HB LEU 70 HB2 LEU 70 7.777 8.367 -4.842 513 2HB LEU 70 HB3 LEU 70 6.371 7.617 -4.095 514 HG LEU 70 HG LEU 70 7.593 6.197 -2.934 515 1HD1 LEU 70 HD11 LEU 70 9.187 5.627 -5.431 516 2HD1 LEU 70 HD12 LEU 70 9.402 4.801 -3.873 517 3HD1 LEU 70 HD13 LEU 70 7.825 4.730 -4.693 518 1HD2 LEU 70 HD21 LEU 70 9.960 7.764 -4.015 519 2HD2 LEU 70 HD22 LEU 70 8.922 8.244 -2.651 520 3HD2 LEU 70 HD23 LEU 70 9.925 6.785 -2.531 521 H SER 71 H SER 71 4.493 6.788 -5.032 522 HA SER 71 HA SER 71 3.890 4.118 -4.749 523 1HB SER 71 HB2 SER 71 1.628 4.541 -4.767 524 2HB SER 71 HB3 SER 71 2.384 6.019 -4.119 525 HG SER 71 HG SER 71 2.064 6.869 -6.284 526 H LYS 72 H LYS 72 3.374 5.922 -7.879 527 HA LYS 72 HA LYS 72 2.506 3.682 -9.355 528 1HB LYS 72 HB2 LYS 72 4.128 6.107 -10.241 529 2HB LYS 72 HB3 LYS 72 3.530 4.889 -11.342 530 1HG LYS 72 HG2 LYS 72 1.390 5.857 -9.549 531 2HG LYS 72 HG3 LYS 72 2.176 7.179 -10.428 532 1HD LYS 72 HD2 LYS 72 1.891 6.000 -12.561 533 2HD LYS 72 HD3 LYS 72 1.127 4.623 -11.733 534 1HE LYS 72 HE2 LYS 72 -0.767 6.022 -11.056 535 2HE LYS 72 HE3 LYS 72 0.030 7.479 -11.681 536 1HZ LYS 72 HZ1 LYS 72 -0.114 6.576 -13.880 537 2HZ LYS 72 HZ2 LYS 72 -0.827 5.196 -13.336 538 3HZ LYS 72 HZ3 LYS 72 -1.612 6.639 -13.210 539 H THR 73 H THR 73 5.884 4.648 -8.535 540 HA THR 73 HA THR 73 7.150 2.632 -10.121 541 HB THR 73 HB THR 73 8.124 4.002 -7.571 542 HG1 THR 73 HG1 THR 73 8.364 4.574 -10.329 543 1HG2 THR 73 HG21 THR 73 9.648 2.361 -9.603 544 2HG2 THR 73 HG22 THR 73 10.380 3.474 -8.423 545 3HG2 THR 73 HG23 THR 73 9.479 2.068 -7.851 546 H PHE 74 H PHE 74 5.504 2.509 -7.071 547 HA PHE 74 HA PHE 74 6.327 -0.330 -6.612 548 1HB PHE 74 HB2 PHE 74 4.851 1.688 -4.885 549 2HB PHE 74 HB3 PHE 74 4.958 -0.019 -4.485 550 HD1 PHE 74 HD1 PHE 74 6.455 3.013 -3.712 551 HD2 PHE 74 HD2 PHE 74 7.369 -1.103 -4.612 552 HE1 PHE 74 HE1 PHE 74 8.585 3.188 -2.438 553 HE2 PHE 74 HE2 PHE 74 9.585 -0.849 -3.532 554 HZ PHE 74 HZ PHE 74 10.214 1.321 -2.501 555 H ILE 75 H ILE 75 4.121 1.099 -8.603 556 HA ILE 75 HA ILE 75 1.750 -0.348 -7.840 557 HB ILE 75 HB ILE 75 2.191 1.572 -9.628 558 1HG1 ILE 75 HG12 ILE 75 -0.058 -0.441 -9.642 559 2HG1 ILE 75 HG13 ILE 75 0.149 1.010 -8.626 560 1HG2 ILE 75 HG21 ILE 75 1.870 -0.883 -11.384 561 2HG2 ILE 75 HG22 ILE 75 1.935 0.813 -11.919 562 3HG2 ILE 75 HG23 ILE 75 3.375 0.067 -11.247 563 1HD1 ILE 75 HD11 ILE 75 -0.269 1.024 -11.612 564 2HD1 ILE 75 HD12 ILE 75 -1.371 1.576 -10.340 565 3HD1 ILE 75 HD13 ILE 75 0.160 2.441 -10.604 566 H ILE 76 H ILE 76 1.380 -2.509 -7.900 567 HA ILE 76 HA ILE 76 3.207 -4.215 -9.576 568 HB ILE 76 HB ILE 76 2.264 -6.062 -8.205 569 1HG1 ILE 76 HG12 ILE 76 1.420 -3.897 -6.223 570 2HG1 ILE 76 HG13 ILE 76 0.279 -4.607 -7.361 571 1HG2 ILE 76 HG21 ILE 76 4.510 -5.044 -7.863 572 2HG2 ILE 76 HG22 ILE 76 3.813 -3.900 -6.702 573 3HG2 ILE 76 HG23 ILE 76 3.828 -5.640 -6.353 574 1HD1 ILE 76 HD11 ILE 76 0.763 -6.856 -6.464 575 2HD1 ILE 76 HD12 ILE 76 1.918 -6.148 -5.323 576 3HD1 ILE 76 HD13 ILE 76 0.207 -5.742 -5.203 577 H GLY 77 H GLY 77 -0.160 -3.159 -9.107 578 1HA GLY 77 HA1 GLY 77 -0.958 -3.593 -11.723 579 2HA GLY 77 HA2 GLY 77 -1.351 -5.093 -10.851 580 H GLU 78 H GLU 78 -3.546 -4.621 -11.140 581 HA GLU 78 HA GLU 78 -4.658 -2.436 -9.472 582 1HB GLU 78 HB2 GLU 78 -5.081 -3.045 -12.356 583 2HB GLU 78 HB3 GLU 78 -6.554 -2.949 -11.406 584 1HG GLU 78 HG2 GLU 78 -5.770 -0.769 -10.483 585 2HG GLU 78 HG3 GLU 78 -4.460 -0.792 -11.690 586 H LEU 79 H LEU 79 -6.899 -2.756 -8.987 587 HA LEU 79 HA LEU 79 -7.350 -5.196 -7.586 588 1HB LEU 79 HB2 LEU 79 -8.309 -2.971 -7.009 589 2HB LEU 79 HB3 LEU 79 -9.233 -2.991 -8.520 590 HG LEU 79 HG LEU 79 -10.417 -5.053 -7.732 591 1HD1 LEU 79 HD11 LEU 79 -10.189 -5.343 -5.115 592 2HD1 LEU 79 HD12 LEU 79 -8.992 -6.120 -6.159 593 3HD1 LEU 79 HD13 LEU 79 -8.605 -4.594 -5.338 594 1HD2 LEU 79 HD21 LEU 79 -11.865 -3.901 -6.287 595 2HD2 LEU 79 HD22 LEU 79 -10.593 -2.766 -5.767 596 3HD2 LEU 79 HD23 LEU 79 -11.240 -2.721 -7.433 597 H HIS 80 H HIS 80 -8.313 -7.052 -8.262 598 HA HIS 80 HA HIS 80 -8.667 -7.725 -10.942 599 1HB HIS 80 HB2 HIS 80 -8.458 -9.199 -8.868 600 2HB HIS 80 HB3 HIS 80 -10.215 -9.098 -8.741 601 HD1 HIS 80 HD1 HIS 80 -11.485 -10.723 -10.489 602 HD2 HIS 80 HD2 HIS 80 -7.315 -10.448 -10.944 603 HE1 HIS 80 HE1 HIS 80 -10.844 -12.465 -12.192 604 HA PRO 81 HA PRO 81 -12.518 -5.897 -12.149 605 1HB PRO 81 HB2 PRO 81 -13.210 -7.487 -14.282 606 2HB PRO 81 HB3 PRO 81 -11.954 -6.218 -14.320 607 1HG PRO 81 HG2 PRO 81 -11.555 -9.185 -13.836 608 2HG PRO 81 HG3 PRO 81 -10.676 -8.140 -14.996 609 1HD PRO 81 HD2 PRO 81 -9.627 -8.722 -12.632 610 2HD PRO 81 HD3 PRO 81 -9.513 -7.042 -13.221 611 H ASP 82 H ASP 82 -12.231 -9.008 -10.757 612 HA ASP 82 HA ASP 82 -15.081 -9.706 -10.830 613 1HB ASP 82 HB2 ASP 82 -13.280 -11.437 -10.824 614 2HB ASP 82 HB3 ASP 82 -12.824 -10.896 -9.169 615 H ASP 83 H ASP 83 -12.827 -7.908 -8.763 616 HA ASP 83 HA ASP 83 -14.437 -8.080 -6.337 617 1HB ASP 83 HB2 ASP 83 -12.019 -7.784 -6.226 618 2HB ASP 83 HB3 ASP 83 -12.153 -6.276 -7.180 619 H ARG 84 H ARG 84 -13.599 -5.548 -8.625 620 HA ARG 84 HA ARG 84 -15.031 -3.495 -7.407 621 1HB ARG 84 HB2 ARG 84 -14.487 -2.184 -9.396 622 2HB ARG 84 HB3 ARG 84 -13.102 -3.164 -8.881 623 1HG ARG 84 HG2 ARG 84 -13.720 -4.873 -10.634 624 2HG ARG 84 HG3 ARG 84 -15.041 -3.830 -11.137 625 1HD ARG 84 HD2 ARG 84 -13.359 -3.431 -12.687 626 2HD ARG 84 HD3 ARG 84 -13.413 -2.008 -11.621 627 HE ARG 84 HE ARG 84 -11.436 -3.866 -10.659 628 1HH1 ARG 84 HH11 ARG 84 -8.720 -2.149 -12.306 629 2HH1 ARG 84 HH12 ARG 84 -9.134 -3.484 -11.253 630 1HH2 ARG 84 HH21 ARG 84 -10.398 -1.270 -13.652 631 2HH2 ARG 84 HH22 ARG 84 -12.077 -1.633 -13.334 632 HHA HEM 201 HGM HEM 201 4.663 10.775 5.222 633 HHB HEM 201 HDM HEM 201 5.895 7.614 -0.284 634 HHC HEM 201 HAM HEM 201 0.833 3.805 0.816 635 HHD HEM 201 HBM HEM 201 -0.019 6.534 6.601 636 1HMA HEM 201 HM81 HEM 201 8.182 9.441 0.942 637 2HMA HEM 201 HM82 HEM 201 6.957 9.586 -0.335 638 3HMA HEM 201 HM83 HEM 201 7.354 10.982 0.650 639 1HAA HEM 201 HAA1 HEM 201 6.576 11.601 4.322 640 2HAA HEM 201 HAA2 HEM 201 7.456 11.657 2.812 641 1HBA HEM 201 HBA1 HEM 201 4.577 12.583 3.193 642 2HBA HEM 201 HBA2 HEM 201 5.503 12.675 1.684 643 1HMB HEM 201 HM11 HEM 201 4.983 6.560 -2.438 644 2HMB HEM 201 HM12 HEM 201 5.965 5.316 -1.628 645 3HMB HEM 201 HM13 HEM 201 4.598 4.843 -2.641 646 HAB HEM 201 HT2A HEM 201 2.289 2.893 -1.249 647 1HBB HEM 201 HV2C HEM 201 1.027 5.398 -2.325 648 2HBB HEM 201 HV2T HEM 201 0.704 3.595 -2.745 649 1HMC HEM 201 HM31 HEM 201 -1.467 2.477 3.533 650 2HMC HEM 201 HM32 HEM 201 -2.038 3.581 2.274 651 3HMC HEM 201 HM33 HEM 201 -0.622 2.545 1.981 652 HAC HEM 201 HT4A HEM 201 -2.298 5.430 5.567 653 1HBC HEM 201 HV4C HEM 201 -0.851 2.803 6.183 654 2HBC HEM 201 HV4T HEM 201 -2.027 3.746 7.284 655 1HMD HEM 201 HM51 HEM 201 1.477 7.814 8.979 656 2HMD HEM 201 HM52 HEM 201 0.967 9.502 8.808 657 3HMD HEM 201 HM53 HEM 201 -0.047 8.220 8.154 658 1HAD HEM 201 HAD1 HEM 201 3.253 10.167 8.662 659 2HAD HEM 201 HAD2 HEM 201 4.221 10.922 7.421 660 1HBD HEM 201 HBD1 HEM 201 2.662 12.533 6.974 661 2HBD HEM 201 HBD2 HEM 201 1.309 11.537 7.519 Start of MODEL 7 1 1H ALA 3 H1 ALA 3 4.093 -3.661 -16.442 2 2H ALA 3 H2 ALA 3 4.976 -4.446 -15.310 3 3H ALA 3 H3 ALA 3 5.516 -4.387 -16.886 4 HA ALA 3 HA ALA 3 3.605 -5.701 -17.557 5 1HB ALA 3 HB1 ALA 3 4.370 -7.808 -16.705 6 2HB ALA 3 HB2 ALA 3 5.812 -6.781 -16.792 7 3HB ALA 3 HB3 ALA 3 5.025 -7.072 -15.229 8 H VAL 4 H VAL 4 1.399 -5.988 -17.032 9 HA VAL 4 HA VAL 4 0.607 -5.110 -14.290 10 HB VAL 4 HB VAL 4 -0.805 -4.929 -16.969 11 1HG1 VAL 4 HG11 VAL 4 -1.728 -4.204 -14.164 12 2HG1 VAL 4 HG12 VAL 4 -2.436 -3.488 -15.623 13 3HG1 VAL 4 HG13 VAL 4 -2.541 -5.234 -15.365 14 1HG2 VAL 4 HG21 VAL 4 0.266 -2.749 -15.121 15 2HG2 VAL 4 HG22 VAL 4 1.066 -3.274 -16.618 16 3HG2 VAL 4 HG23 VAL 4 -0.523 -2.507 -16.695 17 H LYS 5 H LYS 5 -0.666 -6.399 -13.102 18 HA LYS 5 HA LYS 5 -2.187 -8.585 -14.283 19 1HB LYS 5 HB2 LYS 5 0.075 -9.564 -13.876 20 2HB LYS 5 HB3 LYS 5 -0.066 -9.155 -12.158 21 1HG LYS 5 HG2 LYS 5 -1.887 -10.726 -11.847 22 2HG LYS 5 HG3 LYS 5 -2.175 -10.823 -13.590 23 1HD LYS 5 HD2 LYS 5 -1.102 -12.849 -13.068 24 2HD LYS 5 HD3 LYS 5 0.104 -11.843 -13.881 25 1HE LYS 5 HE2 LYS 5 0.813 -11.146 -11.432 26 2HE LYS 5 HE3 LYS 5 -0.146 -12.541 -10.919 27 1HZ LYS 5 HZ1 LYS 5 2.142 -13.101 -11.177 28 2HZ LYS 5 HZ2 LYS 5 1.299 -13.891 -12.350 29 3HZ LYS 5 HZ3 LYS 5 2.185 -12.551 -12.722 30 H TYR 6 H TYR 6 -4.153 -8.423 -13.278 31 HA TYR 6 HA TYR 6 -4.368 -6.648 -11.006 32 1HB TYR 6 HB2 TYR 6 -6.587 -8.351 -12.123 33 2HB TYR 6 HB3 TYR 6 -6.679 -6.787 -11.297 34 HD1 TYR 6 HD1 TYR 6 -4.823 -5.064 -12.715 35 HD2 TYR 6 HD2 TYR 6 -7.443 -8.095 -14.298 36 HE1 TYR 6 HE1 TYR 6 -4.925 -3.844 -14.858 37 HE2 TYR 6 HE2 TYR 6 -7.528 -6.880 -16.455 38 HH TYR 6 HH TYR 6 -5.797 -3.801 -16.990 39 H TYR 7 H TYR 7 -5.373 -7.209 -8.935 40 HA TYR 7 HA TYR 7 -5.128 -10.091 -8.187 41 1HB TYR 7 HB2 TYR 7 -4.041 -7.744 -6.603 42 2HB TYR 7 HB3 TYR 7 -4.049 -9.436 -6.114 43 HD1 TYR 7 HD1 TYR 7 -2.181 -6.870 -7.789 44 HD2 TYR 7 HD2 TYR 7 -2.750 -11.134 -7.541 45 HE1 TYR 7 HE1 TYR 7 -0.024 -7.224 -8.950 46 HE2 TYR 7 HE2 TYR 7 -0.544 -11.489 -8.617 47 HH TYR 7 HH TYR 7 1.485 -8.751 -9.708 48 H THR 8 H THR 8 -6.642 -10.808 -6.715 49 HA THR 8 HA THR 8 -9.094 -9.263 -6.468 50 HB THR 8 HB THR 8 -9.788 -11.326 -5.190 51 HG1 THR 8 HG1 THR 8 -7.880 -13.034 -5.418 52 1HG2 THR 8 HG21 THR 8 -8.446 -11.888 -7.878 53 2HG2 THR 8 HG22 THR 8 -9.663 -12.907 -7.080 54 3HG2 THR 8 HG23 THR 8 -10.093 -11.276 -7.607 55 H LEU 9 H LEU 9 -10.047 -8.637 -4.393 56 HA LEU 9 HA LEU 9 -8.347 -7.465 -2.564 57 1HB LEU 9 HB2 LEU 9 -11.134 -7.866 -2.844 58 2HB LEU 9 HB3 LEU 9 -10.778 -8.563 -1.329 59 HG LEU 9 HG LEU 9 -10.071 -5.720 -2.165 60 1HD1 LEU 9 HD11 LEU 9 -11.729 -5.040 -0.495 61 2HD1 LEU 9 HD12 LEU 9 -12.476 -6.117 -1.687 62 3HD1 LEU 9 HD13 LEU 9 -12.046 -6.738 -0.079 63 1HD2 LEU 9 HD21 LEU 9 -9.624 -7.071 0.539 64 2HD2 LEU 9 HD22 LEU 9 -8.341 -6.531 -0.561 65 3HD2 LEU 9 HD23 LEU 9 -9.400 -5.345 0.196 66 H GLU 10 H GLU 10 -9.574 -10.800 -2.697 67 HA GLU 10 HA GLU 10 -8.630 -11.710 -0.217 68 1HB GLU 10 HB2 GLU 10 -10.183 -12.893 -1.845 69 2HB GLU 10 HB3 GLU 10 -8.748 -13.404 -2.726 70 1HG GLU 10 HG2 GLU 10 -9.360 -15.169 -1.189 71 2HG GLU 10 HG3 GLU 10 -7.863 -14.443 -0.609 72 H GLU 11 H GLU 11 -7.056 -12.185 -3.443 73 HA GLU 11 HA GLU 11 -4.670 -13.253 -2.486 74 1HB GLU 11 HB2 GLU 11 -5.528 -11.847 -4.978 75 2HB GLU 11 HB3 GLU 11 -3.825 -11.727 -4.639 76 1HG GLU 11 HG2 GLU 11 -4.384 -13.706 -6.052 77 2HG GLU 11 HG3 GLU 11 -3.552 -14.120 -4.548 78 H ILE 12 H ILE 12 -5.506 -9.811 -2.929 79 HA ILE 12 HA ILE 12 -2.990 -8.793 -2.052 80 HB ILE 12 HB ILE 12 -5.759 -7.545 -1.936 81 1HG1 ILE 12 HG12 ILE 12 -3.608 -7.109 -4.059 82 2HG1 ILE 12 HG13 ILE 12 -4.817 -8.350 -4.250 83 1HG2 ILE 12 HG21 ILE 12 -4.673 -5.402 -1.794 84 2HG2 ILE 12 HG22 ILE 12 -3.925 -6.381 -0.541 85 3HG2 ILE 12 HG23 ILE 12 -3.080 -6.114 -2.076 86 1HD1 ILE 12 HD11 ILE 12 -5.394 -5.403 -3.953 87 2HD1 ILE 12 HD12 ILE 12 -5.539 -6.368 -5.420 88 3HD1 ILE 12 HD13 ILE 12 -6.631 -6.678 -4.068 89 H GLN 13 H GLN 13 -6.042 -9.497 -0.257 90 HA GLN 13 HA GLN 13 -5.365 -8.660 2.311 91 1HB GLN 13 HB2 GLN 13 -7.252 -10.662 1.148 92 2HB GLN 13 HB3 GLN 13 -6.913 -10.786 2.833 93 1HG GLN 13 HG2 GLN 13 -7.556 -8.018 1.868 94 2HG GLN 13 HG3 GLN 13 -8.836 -9.216 1.686 95 1HE2 GLN 13 HE21 GLN 13 -10.055 -7.855 3.225 96 2HE2 GLN 13 HE22 GLN 13 -9.771 -8.129 4.936 97 H LYS 14 H LYS 14 -4.604 -11.795 0.696 98 HA LYS 14 HA LYS 14 -3.545 -13.054 2.978 99 1HB LYS 14 HB2 LYS 14 -2.616 -13.370 0.095 100 2HB LYS 14 HB3 LYS 14 -2.231 -14.438 1.456 101 1HG LYS 14 HG2 LYS 14 -4.853 -14.547 1.762 102 2HG LYS 14 HG3 LYS 14 -4.901 -14.026 0.088 103 1HD LYS 14 HD2 LYS 14 -3.515 -16.549 1.129 104 2HD LYS 14 HD3 LYS 14 -5.112 -16.446 0.397 105 1HE LYS 14 HE2 LYS 14 -3.847 -17.159 -1.404 106 2HE LYS 14 HE3 LYS 14 -3.996 -15.428 -1.688 107 1HZ LYS 14 HZ1 LYS 14 -1.782 -15.184 -0.721 108 2HZ LYS 14 HZ2 LYS 14 -1.666 -16.821 -0.539 109 3HZ LYS 14 HZ3 LYS 14 -1.782 -16.163 -2.044 110 H HIS 15 H HIS 15 -2.204 -10.368 1.236 111 HA HIS 15 HA HIS 15 0.469 -10.664 2.538 112 1HB HIS 15 HB2 HIS 15 -0.555 -8.819 0.367 113 2HB HIS 15 HB3 HIS 15 1.033 -8.680 1.121 114 HD1 HIS 15 HD1 HIS 15 2.768 -9.585 -0.535 115 HD2 HIS 15 HD2 HIS 15 -0.848 -11.740 -0.525 116 HE1 HIS 15 HE1 HIS 15 3.075 -11.552 -2.128 117 H ASN 16 H ASN 16 -0.933 -10.434 4.535 118 HA ASN 16 HA ASN 16 -1.071 -7.557 5.373 119 1HB ASN 16 HB2 ASN 16 -2.980 -7.995 6.731 120 2HB ASN 16 HB3 ASN 16 -3.372 -8.579 5.127 121 1HD2 ASN 16 HD21 ASN 16 -3.000 -10.969 4.767 122 2HD2 ASN 16 HD22 ASN 16 -3.294 -12.084 6.082 123 H ASN 17 H ASN 17 1.317 -9.342 5.687 124 HA ASN 17 HA ASN 17 1.659 -9.124 8.472 125 1HB ASN 17 HB2 ASN 17 0.053 -11.401 7.886 126 2HB ASN 17 HB3 ASN 17 1.672 -12.068 7.977 127 1HD2 ASN 17 HD21 ASN 17 0.913 -13.283 9.871 128 2HD2 ASN 17 HD22 ASN 17 0.769 -12.451 11.410 129 H SER 18 H SER 18 3.704 -10.059 9.245 130 HA SER 18 HA SER 18 5.956 -10.288 9.001 131 1HB SER 18 HB2 SER 18 5.263 -12.539 8.092 132 2HB SER 18 HB3 SER 18 5.320 -11.862 6.458 133 HG SER 18 HG SER 18 7.439 -12.245 8.289 134 H LYS 19 H LYS 19 7.215 -10.475 6.212 135 HA LYS 19 HA LYS 19 7.602 -7.660 5.730 136 1HB LYS 19 HB2 LYS 19 8.780 -10.105 4.839 137 2HB LYS 19 HB3 LYS 19 8.129 -9.347 3.408 138 1HG LYS 19 HG2 LYS 19 10.122 -8.389 3.334 139 2HG LYS 19 HG3 LYS 19 9.413 -7.167 4.366 140 1HD LYS 19 HD2 LYS 19 10.899 -9.596 5.519 141 2HD LYS 19 HD3 LYS 19 11.769 -8.234 4.819 142 1HE LYS 19 HE2 LYS 19 10.488 -6.697 6.415 143 2HE LYS 19 HE3 LYS 19 9.975 -8.160 7.275 144 1HZ LYS 19 HZ1 LYS 19 12.256 -8.616 7.761 145 2HZ LYS 19 HZ2 LYS 19 12.795 -7.430 6.752 146 3HZ LYS 19 HZ3 LYS 19 12.004 -7.030 8.121 147 H SER 20 H SER 20 5.406 -10.116 4.281 148 HA SER 20 HA SER 20 4.530 -8.835 2.043 149 1HB SER 20 HB2 SER 20 2.822 -10.605 3.790 150 2HB SER 20 HB3 SER 20 2.796 -10.414 2.031 151 HG SER 20 HG SER 20 3.994 -12.270 2.688 152 H THR 21 H THR 21 3.732 -6.829 1.862 153 HA THR 21 HA THR 21 1.456 -5.886 3.461 154 HB THR 21 HB THR 21 4.156 -4.561 3.132 155 HG1 THR 21 HG1 THR 21 4.173 -4.662 5.314 156 1HG2 THR 21 HG21 THR 21 3.185 -2.541 3.085 157 2HG2 THR 21 HG22 THR 21 1.565 -3.202 3.291 158 3HG2 THR 21 HG23 THR 21 2.554 -2.845 4.713 159 H TRP 22 H TRP 22 0.280 -6.337 1.518 160 HA TRP 22 HA TRP 22 0.769 -4.397 -0.719 161 1HB TRP 22 HB2 TRP 22 -0.953 -6.898 -0.571 162 2HB TRP 22 HB3 TRP 22 -0.906 -5.741 -1.888 163 HD1 TRP 22 HD1 TRP 22 2.586 -6.245 -0.824 164 HE1 TRP 22 HE1 TRP 22 3.816 -7.482 -2.536 165 HE3 TRP 22 HE3 TRP 22 -1.443 -7.968 -3.446 166 HZ2 TRP 22 HZ2 TRP 22 3.156 -9.167 -4.911 167 HZ3 TRP 22 HZ3 TRP 22 -1.134 -9.477 -5.347 168 HH2 TRP 22 HH2 TRP 22 1.175 -9.999 -6.184 169 H LEU 23 H LEU 23 -1.592 -3.645 -1.517 170 HA LEU 23 HA LEU 23 -3.742 -3.483 0.252 171 1HB LEU 23 HB2 LEU 23 -3.410 -0.997 0.921 172 2HB LEU 23 HB3 LEU 23 -2.671 -2.256 1.870 173 HG LEU 23 HG LEU 23 -0.493 -1.832 0.463 174 1HD1 LEU 23 HD11 LEU 23 -2.001 0.724 -0.054 175 2HD1 LEU 23 HD12 LEU 23 -0.294 0.440 -0.406 176 3HD1 LEU 23 HD13 LEU 23 -1.527 -0.443 -1.316 177 1HD2 LEU 23 HD21 LEU 23 -1.592 0.253 2.343 178 2HD2 LEU 23 HD22 LEU 23 -0.748 -1.242 2.809 179 3HD2 LEU 23 HD23 LEU 23 0.127 0.012 1.901 180 H ILE 24 H ILE 24 -5.196 -1.595 -0.429 181 HA ILE 24 HA ILE 24 -4.870 -1.158 -3.386 182 HB ILE 24 HB ILE 24 -7.376 -1.630 -1.785 183 1HG1 ILE 24 HG12 ILE 24 -6.373 -3.302 -4.127 184 2HG1 ILE 24 HG13 ILE 24 -5.681 -3.551 -2.536 185 1HG2 ILE 24 HG21 ILE 24 -7.047 -1.141 -4.782 186 2HG2 ILE 24 HG22 ILE 24 -8.557 -1.585 -3.959 187 3HG2 ILE 24 HG23 ILE 24 -7.807 -0.018 -3.635 188 1HD1 ILE 24 HD11 ILE 24 -8.520 -4.089 -3.332 189 2HD1 ILE 24 HD12 ILE 24 -7.373 -5.087 -2.420 190 3HD1 ILE 24 HD13 ILE 24 -8.143 -3.703 -1.647 191 H LEU 25 H LEU 25 -4.522 0.870 -3.869 192 HA LEU 25 HA LEU 25 -5.803 3.127 -2.340 193 1HB LEU 25 HB2 LEU 25 -3.016 2.750 -3.462 194 2HB LEU 25 HB3 LEU 25 -3.743 4.350 -3.339 195 HG LEU 25 HG LEU 25 -3.471 4.600 -1.208 196 1HD1 LEU 25 HD11 LEU 25 -3.757 1.642 -0.813 197 2HD1 LEU 25 HD12 LEU 25 -3.439 2.843 0.467 198 3HD1 LEU 25 HD13 LEU 25 -4.919 2.945 -0.472 199 1HD2 LEU 25 HD21 LEU 25 -1.273 4.303 -1.968 200 2HD2 LEU 25 HD22 LEU 25 -1.330 3.469 -0.416 201 3HD2 LEU 25 HD23 LEU 25 -1.337 2.524 -1.906 202 H HIS 26 H HIS 26 -7.568 3.342 -3.614 203 HA HIS 26 HA HIS 26 -8.772 4.039 -5.411 204 1HB HIS 26 HB2 HIS 26 -6.219 4.973 -6.764 205 2HB HIS 26 HB3 HIS 26 -7.871 5.507 -7.050 206 HD1 HIS 26 HD1 HIS 26 -8.897 7.217 -5.192 207 HD2 HIS 26 HD2 HIS 26 -4.938 5.922 -4.634 208 HE1 HIS 26 HE1 HIS 26 -7.912 8.697 -3.401 209 H TYR 27 H TYR 27 -8.486 1.456 -5.379 210 HA TYR 27 HA TYR 27 -8.652 -0.452 -6.573 211 1HB TYR 27 HB2 TYR 27 -8.892 1.294 -9.039 212 2HB TYR 27 HB3 TYR 27 -9.530 -0.324 -8.813 213 HD1 TYR 27 HD1 TYR 27 -10.694 0.254 -5.908 214 HD2 TYR 27 HD2 TYR 27 -11.003 2.222 -9.742 215 HE1 TYR 27 HE1 TYR 27 -12.886 1.167 -5.267 216 HE2 TYR 27 HE2 TYR 27 -13.223 3.098 -9.101 217 HH TYR 27 HH TYR 27 -14.885 3.117 -7.490 218 H LYS 28 H LYS 28 -5.919 0.885 -6.314 219 HA LYS 28 HA LYS 28 -4.464 -0.576 -8.476 220 1HB LYS 28 HB2 LYS 28 -3.994 2.117 -7.214 221 2HB LYS 28 HB3 LYS 28 -2.766 1.283 -8.126 222 1HG LYS 28 HG2 LYS 28 -5.359 1.447 -9.570 223 2HG LYS 28 HG3 LYS 28 -4.788 3.011 -9.008 224 1HD LYS 28 HD2 LYS 28 -2.483 2.374 -10.065 225 2HD LYS 28 HD3 LYS 28 -3.296 0.969 -10.756 226 1HE LYS 28 HE2 LYS 28 -3.175 2.789 -12.381 227 2HE LYS 28 HE3 LYS 28 -4.860 2.440 -11.988 228 1HZ LYS 28 HZ1 LYS 28 -3.765 4.880 -11.871 229 2HZ LYS 28 HZ2 LYS 28 -5.127 4.423 -11.072 230 3HZ LYS 28 HZ3 LYS 28 -3.682 4.412 -10.291 231 H VAL 29 H VAL 29 -2.962 -1.997 -7.739 232 HA VAL 29 HA VAL 29 -2.660 -2.241 -4.839 233 HB VAL 29 HB VAL 29 -1.706 -4.224 -6.895 234 1HG1 VAL 29 HG11 VAL 29 -2.899 -4.635 -4.120 235 2HG1 VAL 29 HG12 VAL 29 -1.966 -5.795 -5.096 236 3HG1 VAL 29 HG13 VAL 29 -1.168 -4.394 -4.359 237 1HG2 VAL 29 HG21 VAL 29 -4.537 -3.961 -5.835 238 2HG2 VAL 29 HG22 VAL 29 -4.010 -3.830 -7.528 239 3HG2 VAL 29 HG23 VAL 29 -3.869 -5.371 -6.696 240 H TYR 30 H TYR 30 -0.759 -2.064 -3.770 241 HA TYR 30 HA TYR 30 1.739 -1.313 -5.254 242 1HB TYR 30 HB2 TYR 30 0.447 -0.067 -2.800 243 2HB TYR 30 HB3 TYR 30 2.043 0.342 -3.380 244 HD1 TYR 30 HD1 TYR 30 2.306 1.605 -5.530 245 HD2 TYR 30 HD2 TYR 30 -1.594 0.611 -4.011 246 HE1 TYR 30 HE1 TYR 30 1.243 3.269 -7.073 247 HE2 TYR 30 HE2 TYR 30 -2.604 2.275 -5.548 248 HH TYR 30 HH TYR 30 -0.610 4.521 -7.452 249 H ASP 31 H ASP 31 3.338 -2.752 -4.753 250 HA ASP 31 HA ASP 31 3.205 -4.371 -2.273 251 1HB ASP 31 HB2 ASP 31 3.727 -5.579 -4.290 252 2HB ASP 31 HB3 ASP 31 5.007 -4.428 -4.728 253 H LEU 32 H LEU 32 3.707 -2.728 -0.665 254 HA LEU 32 HA LEU 32 6.332 -1.373 -1.014 255 1HB LEU 32 HB2 LEU 32 4.459 -0.820 1.214 256 2HB LEU 32 HB3 LEU 32 5.719 0.178 0.621 257 HG LEU 32 HG LEU 32 3.643 -0.391 -1.459 258 1HD1 LEU 32 HD11 LEU 32 2.359 -0.165 0.709 259 2HD1 LEU 32 HD12 LEU 32 2.951 1.510 0.787 260 3HD1 LEU 32 HD13 LEU 32 1.947 0.946 -0.577 261 1HD2 LEU 32 HD21 LEU 32 5.747 1.093 -1.582 262 2HD2 LEU 32 HD22 LEU 32 4.238 1.746 -2.199 263 3HD2 LEU 32 HD23 LEU 32 4.834 2.248 -0.594 264 H THR 33 H THR 33 5.675 -4.320 -0.180 265 HA THR 33 HA THR 33 6.484 -4.865 2.408 266 HB THR 33 HB THR 33 6.746 -6.253 -0.270 267 HG1 THR 33 HG1 THR 33 5.484 -6.729 2.206 268 1HG2 THR 33 HG21 THR 33 7.300 -8.342 1.130 269 2HG2 THR 33 HG22 THR 33 8.639 -7.260 0.709 270 3HG2 THR 33 HG23 THR 33 7.941 -7.208 2.340 271 H LYS 34 H LYS 34 8.514 -3.899 -0.340 272 HA LYS 34 HA LYS 34 10.904 -4.118 1.410 273 1HB LYS 34 HB2 LYS 34 10.536 -5.189 -1.020 274 2HB LYS 34 HB3 LYS 34 11.059 -3.587 -1.558 275 1HG LYS 34 HG2 LYS 34 13.131 -3.812 -0.351 276 2HG LYS 34 HG3 LYS 34 12.547 -5.240 0.528 277 1HD LYS 34 HD2 LYS 34 12.456 -6.615 -1.419 278 2HD LYS 34 HD3 LYS 34 12.858 -5.280 -2.504 279 1HE LYS 34 HE2 LYS 34 14.674 -6.229 -0.228 280 2HE LYS 34 HE3 LYS 34 14.781 -6.905 -1.857 281 1HZ LYS 34 HZ1 LYS 34 15.633 -4.994 -2.677 282 2HZ LYS 34 HZ2 LYS 34 14.907 -4.011 -1.578 283 3HZ LYS 34 HZ3 LYS 34 16.230 -4.885 -1.148 284 H PHE 35 H PHE 35 8.824 -2.078 1.715 285 HA PHE 35 HA PHE 35 10.616 0.263 1.643 286 1HB PHE 35 HB2 PHE 35 8.647 -0.109 -0.275 287 2HB PHE 35 HB3 PHE 35 7.779 0.722 0.936 288 HD1 PHE 35 HD1 PHE 35 7.414 2.870 -0.073 289 HD2 PHE 35 HD2 PHE 35 11.391 1.177 -0.146 290 HE1 PHE 35 HE1 PHE 35 8.328 4.990 -0.981 291 HE2 PHE 35 HE2 PHE 35 12.301 3.325 -0.880 292 HZ PHE 35 HZ PHE 35 10.778 5.233 -1.360 293 H LEU 36 H LEU 36 9.169 -1.749 3.654 294 HA LEU 36 HA LEU 36 7.328 -0.112 5.105 295 1HB LEU 36 HB2 LEU 36 9.007 -2.516 5.968 296 2HB LEU 36 HB3 LEU 36 7.651 -1.850 6.888 297 HG LEU 36 HG LEU 36 7.418 -2.960 4.054 298 1HD1 LEU 36 HD11 LEU 36 6.358 -4.895 5.147 299 2HD1 LEU 36 HD12 LEU 36 8.062 -4.714 5.590 300 3HD1 LEU 36 HD13 LEU 36 6.789 -4.236 6.740 301 1HD2 LEU 36 HD21 LEU 36 5.639 -1.339 4.531 302 2HD2 LEU 36 HD22 LEU 36 5.010 -2.969 4.595 303 3HD2 LEU 36 HD23 LEU 36 5.326 -2.106 6.110 304 H GLU 37 H GLU 37 10.642 -1.099 6.003 305 HA GLU 37 HA GLU 37 10.942 0.770 8.104 306 1HB GLU 37 HB2 GLU 37 13.327 0.132 7.956 307 2HB GLU 37 HB3 GLU 37 12.230 -1.249 7.949 308 1HG GLU 37 HG2 GLU 37 12.501 -1.275 5.357 309 2HG GLU 37 HG3 GLU 37 13.818 -0.127 5.618 310 H GLU 38 H GLU 38 11.373 1.054 4.628 311 HA GLU 38 HA GLU 38 12.840 3.513 4.606 312 1HB GLU 38 HB2 GLU 38 11.054 2.269 2.500 313 2HB GLU 38 HB3 GLU 38 12.212 3.535 2.231 314 1HG GLU 38 HG2 GLU 38 13.884 1.731 3.403 315 2HG GLU 38 HG3 GLU 38 12.721 0.611 2.686 316 H HIS 39 HN HIS 39 9.346 2.725 4.500 317 HA HIS 39 HA HIS 39 8.481 5.266 3.728 318 1HB HIS 39 HB2 HIS 39 7.112 3.294 3.524 319 2HB HIS 39 HB3 HIS 39 7.051 3.114 5.282 320 HD1 HIS 39 HND HIS 39 5.236 4.457 6.537 321 HD2 HIS 39 HD HIS 39 5.611 5.363 2.446 322 HE1 HIS 39 HE HIS 39 3.208 5.806 5.928 323 HA PRO 40 HA PRO 40 9.543 7.504 7.382 324 1HB PRO 40 HB2 PRO 40 8.276 9.911 6.969 325 2HB PRO 40 HB3 PRO 40 9.706 9.366 6.046 326 1HG PRO 40 HG2 PRO 40 6.800 9.147 5.255 327 2HG PRO 40 HG3 PRO 40 8.166 9.746 4.263 328 1HD PRO 40 HD2 PRO 40 7.241 7.217 4.028 329 2HD PRO 40 HD3 PRO 40 8.996 7.554 3.923 330 H GLY 41 H GLY 41 6.110 7.123 6.577 331 1HA GLY 41 HA1 GLY 41 4.896 7.961 8.967 332 2HA GLY 41 HA2 GLY 41 4.307 6.660 7.931 333 H GLY 42 H GLY 42 7.051 5.203 8.513 334 1HA GLY 42 HA1 GLY 42 7.984 4.047 10.292 335 2HA GLY 42 HA2 GLY 42 6.625 4.432 11.351 336 H GLU 43 H GLU 43 8.026 1.864 10.227 337 HA GLU 43 HA GLU 43 6.085 0.359 8.810 338 1HB GLU 43 HB2 GLU 43 7.423 -1.560 9.712 339 2HB GLU 43 HB3 GLU 43 8.221 -0.405 8.642 340 1HG GLU 43 HG2 GLU 43 9.599 0.464 10.323 341 2HG GLU 43 HG3 GLU 43 8.470 0.029 11.621 342 H ALA 44 H ALA 44 4.274 0.914 9.899 343 HA ALA 44 HA ALA 44 3.319 -1.117 11.812 344 1HB ALA 44 HB1 ALA 44 3.549 1.821 12.609 345 2HB ALA 44 HB2 ALA 44 2.468 0.662 13.419 346 3HB ALA 44 HB3 ALA 44 4.223 0.407 13.442 347 H VAL 45 H VAL 45 2.283 2.214 10.914 348 HA VAL 45 HA VAL 45 -0.386 1.513 10.520 349 HB VAL 45 HB VAL 45 0.510 3.799 10.824 350 1HG1 VAL 45 HG11 VAL 45 1.097 3.825 7.837 351 2HG1 VAL 45 HG12 VAL 45 1.352 5.112 9.025 352 3HG1 VAL 45 HG13 VAL 45 2.353 3.660 9.092 353 1HG2 VAL 45 HG21 VAL 45 -1.143 4.886 9.253 354 2HG2 VAL 45 HG22 VAL 45 -1.398 3.287 8.529 355 3HG2 VAL 45 HG23 VAL 45 -1.790 3.555 10.233 356 H LEU 46 H LEU 46 2.252 1.682 7.969 357 HA LEU 46 HA LEU 46 0.568 0.763 5.884 358 1HB LEU 46 HB2 LEU 46 3.549 0.447 6.470 359 2HB LEU 46 HB3 LEU 46 2.810 -0.282 5.042 360 HG LEU 46 HG LEU 46 2.800 2.701 5.672 361 1HD1 LEU 46 HD11 LEU 46 4.216 2.773 3.614 362 2HD1 LEU 46 HD12 LEU 46 4.994 1.874 4.936 363 3HD1 LEU 46 HD13 LEU 46 4.246 1.008 3.575 364 1HD2 LEU 46 HD21 LEU 46 1.995 2.669 3.183 365 2HD2 LEU 46 HD22 LEU 46 1.497 1.006 3.514 366 3HD2 LEU 46 HD23 LEU 46 0.815 2.348 4.459 367 H ARG 47 H ARG 47 2.175 -1.104 8.433 368 HA ARG 47 HA ARG 47 1.675 -3.654 7.160 369 1HB ARG 47 HB2 ARG 47 3.468 -2.944 8.969 370 2HB ARG 47 HB3 ARG 47 2.159 -3.210 10.115 371 1HG ARG 47 HG2 ARG 47 3.021 -5.313 10.151 372 2HG ARG 47 HG3 ARG 47 1.925 -5.542 8.798 373 1HD ARG 47 HD2 ARG 47 3.623 -6.026 7.430 374 2HD ARG 47 HD3 ARG 47 4.433 -4.501 7.719 375 HE ARG 47 HE ARG 47 5.149 -7.068 8.613 376 1HH1 ARG 47 HH11 ARG 47 7.354 -6.130 11.207 377 2HH1 ARG 47 HH12 ARG 47 6.639 -7.468 10.357 378 1HH2 ARG 47 HH21 ARG 47 6.599 -3.914 10.761 379 2HH2 ARG 47 HH22 ARG 47 5.284 -3.719 9.643 380 H ALA 48 H ALA 48 -0.033 -1.527 9.405 381 HA ALA 48 HA ALA 48 -1.920 -3.508 10.308 382 1HB ALA 48 HB1 ALA 48 -2.478 -0.539 10.407 383 2HB ALA 48 HB2 ALA 48 -2.804 -1.808 11.606 384 3HB ALA 48 HB3 ALA 48 -1.150 -1.212 11.371 385 H GLN 49 H GLN 49 -2.103 -0.757 7.971 386 HA GLN 49 HA GLN 49 -4.744 -1.518 7.020 387 1HB GLN 49 HB2 GLN 49 -2.629 0.552 6.415 388 2HB GLN 49 HB3 GLN 49 -3.827 0.190 5.187 389 1HG GLN 49 HG2 GLN 49 -4.567 2.027 6.562 390 2HG GLN 49 HG3 GLN 49 -5.665 0.653 6.698 391 1HE2 GLN 49 HE21 GLN 49 -5.855 -0.444 8.737 392 2HE2 GLN 49 HE22 GLN 49 -5.170 0.245 10.195 393 H ALA 50 H ALA 50 -1.513 -2.606 6.257 394 HA ALA 50 HA ALA 50 -1.722 -3.348 3.669 395 1HB ALA 50 HB1 ALA 50 -0.661 -5.019 5.992 396 2HB ALA 50 HB2 ALA 50 -0.400 -5.391 4.291 397 3HB ALA 50 HB3 ALA 50 0.268 -3.895 4.976 398 H GLY 51 H GLY 51 -2.450 -5.163 2.525 399 1HA GLY 51 HA1 GLY 51 -3.963 -6.680 1.810 400 2HA GLY 51 HA2 GLY 51 -3.900 -7.373 3.436 401 H GLY 52 H GLY 52 -5.032 -4.165 2.203 402 1HA GLY 52 HA1 GLY 52 -7.832 -4.790 2.489 403 2HA GLY 52 HA2 GLY 52 -7.200 -3.803 3.832 404 H ASP 53 H ASP 53 -9.006 -2.424 2.556 405 HA ASP 53 HA ASP 53 -7.908 -0.844 0.361 406 1HB ASP 53 HB2 ASP 53 -9.905 0.518 0.747 407 2HB ASP 53 HB3 ASP 53 -10.353 -1.190 0.598 408 H ALA 54 H ALA 54 -6.636 0.925 0.707 409 HA ALA 54 HA ALA 54 -6.723 2.205 3.416 410 1HB ALA 54 HB1 ALA 54 -4.173 1.469 1.926 411 2HB ALA 54 HB2 ALA 54 -4.283 2.454 3.411 412 3HB ALA 54 HB3 ALA 54 -4.781 0.738 3.397 413 H THR 55 H THR 55 -7.885 2.644 0.672 414 HA THR 55 HA THR 55 -6.478 4.763 -0.591 415 HB THR 55 HB THR 55 -9.492 4.236 -0.675 416 HG1 THR 55 HG1 THR 55 -8.331 2.336 -1.255 417 1HG2 THR 55 HG21 THR 55 -7.503 5.447 -2.615 418 2HG2 THR 55 HG22 THR 55 -9.219 5.157 -2.976 419 3HG2 THR 55 HG23 THR 55 -8.756 6.359 -1.748 420 H ALA 56 H ALA 56 -9.271 4.823 1.670 421 HA ALA 56 HA ALA 56 -9.406 7.622 2.025 422 1HB ALA 56 HB1 ALA 56 -10.478 6.965 4.256 423 2HB ALA 56 HB2 ALA 56 -11.229 6.323 2.783 424 3HB ALA 56 HB3 ALA 56 -10.199 5.275 3.785 425 H ASN 57 H ASN 57 -7.569 5.187 3.963 426 HA ASN 57 HA ASN 57 -6.455 7.044 5.794 427 1HB ASN 57 HB2 ASN 57 -5.593 4.300 4.838 428 2HB ASN 57 HB3 ASN 57 -4.551 5.268 5.886 429 1HD2 ASN 57 HD21 ASN 57 -4.668 4.030 7.798 430 2HD2 ASN 57 HD22 ASN 57 -6.177 3.862 8.661 431 H PHE 58 H PHE 58 -5.110 5.810 2.721 432 HA PHE 58 HA PHE 58 -2.670 7.174 2.676 433 1HB PHE 58 HB2 PHE 58 -3.333 5.405 1.124 434 2HB PHE 58 HB3 PHE 58 -4.574 6.421 0.419 435 HD1 PHE 58 HD1 PHE 58 -4.072 7.718 -1.517 436 HD2 PHE 58 HD2 PHE 58 -0.889 6.235 0.971 437 HE1 PHE 58 HE1 PHE 58 -2.424 8.488 -3.173 438 HE2 PHE 58 HE2 PHE 58 0.781 7.023 -0.691 439 HZ PHE 58 HZ PHE 58 0.018 8.147 -2.773 440 H GLU 59 H GLU 59 -5.819 8.200 1.255 441 HA GLU 59 HA GLU 59 -4.938 10.782 0.452 442 1HB GLU 59 HB2 GLU 59 -7.672 9.652 1.077 443 2HB GLU 59 HB3 GLU 59 -7.418 11.245 0.348 444 1HG GLU 59 HG2 GLU 59 -5.981 8.966 -0.990 445 2HG GLU 59 HG3 GLU 59 -7.737 8.956 -1.086 446 H ALA 60 H ALA 60 -6.522 9.689 3.477 447 HA ALA 60 HA ALA 60 -7.017 12.167 4.682 448 1HB ALA 60 HB1 ALA 60 -6.572 10.814 6.872 449 2HB ALA 60 HB2 ALA 60 -7.904 10.317 5.811 450 3HB ALA 60 HB3 ALA 60 -6.371 9.427 5.798 451 H VAL 61 H VAL 61 -3.983 10.254 4.702 452 HA VAL 61 HA VAL 61 -2.466 12.106 6.285 453 HB VAL 61 HB VAL 61 -1.683 10.100 4.136 454 1HG1 VAL 61 HG11 VAL 61 0.101 11.744 4.144 455 2HG1 VAL 61 HG12 VAL 61 0.107 11.794 5.917 456 3HG1 VAL 61 HG13 VAL 61 0.636 10.336 5.048 457 1HG2 VAL 61 HG21 VAL 61 -1.435 10.085 7.171 458 2HG2 VAL 61 HG22 VAL 61 -2.675 9.210 6.255 459 3HG2 VAL 61 HG23 VAL 61 -0.980 8.772 6.061 460 H GLY 62 H GLY 62 -3.053 11.905 2.763 461 1HA GLY 62 HA1 GLY 62 -3.333 14.086 1.646 462 2HA GLY 62 HA2 GLY 62 -1.826 14.630 2.393 463 H HIS 63 HN HIS 63 0.093 13.175 1.996 464 HA HIS 63 HA HIS 63 1.659 12.361 0.616 465 1HB HIS 63 HB2 HIS 63 -0.684 10.898 -0.638 466 2HB HIS 63 HB3 HIS 63 0.974 10.679 -1.138 467 HD1 HIS 63 HND HIS 63 -1.390 9.684 1.638 468 HD2 HIS 63 HD HIS 63 2.677 9.438 0.595 469 HE1 HIS 63 HE HIS 63 -0.367 7.926 3.142 470 H SER 64 H SER 64 2.617 14.057 -0.393 471 HA SER 64 HA SER 64 1.490 15.709 -2.338 472 1HB SER 64 HB2 SER 64 4.414 14.967 -1.875 473 2HB SER 64 HB3 SER 64 3.849 16.428 -2.703 474 HG SER 64 HG SER 64 3.001 17.164 -0.788 475 H THR 65 H THR 65 2.572 16.046 -4.577 476 HA THR 65 HA THR 65 1.879 14.100 -6.447 477 HB THR 65 HB THR 65 3.586 15.407 -7.855 478 HG1 THR 65 HG1 THR 65 4.526 17.161 -6.827 479 1HG2 THR 65 HG21 THR 65 2.121 17.221 -8.140 480 2HG2 THR 65 HG22 THR 65 1.051 16.014 -7.413 481 3HG2 THR 65 HG23 THR 65 1.719 17.320 -6.414 482 H ASP 66 H ASP 66 5.081 14.814 -5.081 483 HA ASP 66 HA ASP 66 6.612 12.893 -6.291 484 1HB ASP 66 HB2 ASP 66 7.056 14.674 -4.282 485 2HB ASP 66 HB3 ASP 66 7.013 13.210 -3.307 486 H ALA 67 H ALA 67 4.579 12.414 -3.422 487 HA ALA 67 HA ALA 67 5.193 9.600 -3.089 488 1HB ALA 67 HB1 ALA 67 4.384 10.605 -1.149 489 2HB ALA 67 HB2 ALA 67 3.026 11.380 -1.976 490 3HB ALA 67 HB3 ALA 67 3.030 9.621 -1.735 491 H ARG 68 H ARG 68 2.577 11.375 -4.781 492 HA ARG 68 HA ARG 68 1.054 9.082 -5.569 493 1HB ARG 68 HB2 ARG 68 1.339 11.799 -6.898 494 2HB ARG 68 HB3 ARG 68 0.141 10.577 -7.334 495 1HG ARG 68 HG2 ARG 68 -0.931 10.719 -5.153 496 2HG ARG 68 HG3 ARG 68 0.371 11.719 -4.526 497 1HD ARG 68 HD2 ARG 68 -1.234 13.267 -4.850 498 2HD ARG 68 HD3 ARG 68 -0.320 13.488 -6.322 499 HE ARG 68 HE ARG 68 -3.045 12.469 -5.912 500 1HH1 ARG 68 HH11 ARG 68 -3.810 12.487 -9.343 501 2HH1 ARG 68 HH12 ARG 68 -4.448 12.461 -7.731 502 1HH2 ARG 68 HH21 ARG 68 -1.448 12.595 -9.664 503 2HH2 ARG 68 HH22 ARG 68 -0.426 12.598 -8.258 504 H GLU 69 H GLU 69 3.949 10.595 -6.962 505 HA GLU 69 HA GLU 69 3.917 8.920 -9.380 506 1HB GLU 69 HB2 GLU 69 5.437 11.213 -8.277 507 2HB GLU 69 HB3 GLU 69 6.314 10.188 -9.405 508 1HG GLU 69 HG2 GLU 69 3.511 11.145 -10.105 509 2HG GLU 69 HG3 GLU 69 4.908 12.208 -10.303 510 H LEU 70 H LEU 70 5.649 9.099 -6.287 511 HA LEU 70 HA LEU 70 7.534 7.076 -6.804 512 1HB LEU 70 HB2 LEU 70 7.653 8.684 -4.977 513 2HB LEU 70 HB3 LEU 70 6.225 7.946 -4.241 514 HG LEU 70 HG LEU 70 7.298 6.267 -3.298 515 1HD1 LEU 70 HD11 LEU 70 9.160 6.236 -5.619 516 2HD1 LEU 70 HD12 LEU 70 9.433 5.280 -4.131 517 3HD1 LEU 70 HD13 LEU 70 7.916 5.097 -5.025 518 1HD2 LEU 70 HD21 LEU 70 8.360 8.270 -2.379 519 2HD2 LEU 70 HD22 LEU 70 9.552 6.961 -2.478 520 3HD2 LEU 70 HD23 LEU 70 9.570 8.261 -3.684 521 H SER 71 H SER 71 4.401 6.892 -5.158 522 HA SER 71 HA SER 71 4.147 4.138 -4.917 523 1HB SER 71 HB2 SER 71 1.827 4.420 -4.776 524 2HB SER 71 HB3 SER 71 2.545 5.886 -4.082 525 HG SER 71 HG SER 71 0.845 6.435 -5.449 526 H LYS 72 H LYS 72 3.273 6.057 -7.865 527 HA LYS 72 HA LYS 72 2.516 3.955 -9.550 528 1HB LYS 72 HB2 LYS 72 3.922 6.557 -10.069 529 2HB LYS 72 HB3 LYS 72 3.722 5.417 -11.368 530 1HG LYS 72 HG2 LYS 72 1.284 6.067 -9.707 531 2HG LYS 72 HG3 LYS 72 1.974 7.365 -10.689 532 1HD LYS 72 HD2 LYS 72 2.000 5.759 -12.671 533 2HD LYS 72 HD3 LYS 72 1.020 4.647 -11.689 534 1HE LYS 72 HE2 LYS 72 -0.701 6.486 -11.474 535 2HE LYS 72 HE3 LYS 72 0.334 7.542 -12.452 536 1HZ LYS 72 HZ1 LYS 72 0.096 6.082 -14.291 537 2HZ LYS 72 HZ2 LYS 72 -0.785 5.000 -13.426 538 3HZ LYS 72 HZ3 LYS 72 -1.398 6.497 -13.758 539 H THR 73 H THR 73 5.836 4.860 -8.615 540 HA THR 73 HA THR 73 7.139 2.963 -10.383 541 HB THR 73 HB THR 73 7.952 4.957 -8.312 542 HG1 THR 73 HG1 THR 73 9.051 4.176 -10.777 543 1HG2 THR 73 HG21 THR 73 9.843 2.689 -8.998 544 2HG2 THR 73 HG22 THR 73 10.244 4.218 -8.189 545 3HG2 THR 73 HG23 THR 73 9.179 3.061 -7.388 546 H PHE 74 H PHE 74 5.365 2.527 -7.505 547 HA PHE 74 HA PHE 74 6.717 -0.058 -6.825 548 1HB PHE 74 HB2 PHE 74 5.167 2.004 -5.248 549 2HB PHE 74 HB3 PHE 74 5.014 0.318 -4.804 550 HD1 PHE 74 HD1 PHE 74 7.614 2.935 -5.417 551 HD2 PHE 74 HD2 PHE 74 6.679 -0.863 -3.677 552 HE1 PHE 74 HE1 PHE 74 9.745 3.000 -4.130 553 HE2 PHE 74 HE2 PHE 74 8.846 -0.875 -2.485 554 HZ PHE 74 HZ PHE 74 10.322 1.107 -2.601 555 H ILE 75 H ILE 75 4.082 1.323 -8.478 556 HA ILE 75 HA ILE 75 2.010 -0.331 -7.646 557 HB ILE 75 HB ILE 75 2.294 1.768 -9.328 558 1HG1 ILE 75 HG12 ILE 75 0.294 0.924 -8.023 559 2HG1 ILE 75 HG13 ILE 75 0.029 1.908 -9.460 560 1HG2 ILE 75 HG21 ILE 75 3.085 0.500 -11.265 561 2HG2 ILE 75 HG22 ILE 75 1.620 -0.496 -11.251 562 3HG2 ILE 75 HG23 ILE 75 1.507 1.240 -11.579 563 1HD1 ILE 75 HD11 ILE 75 0.019 -1.092 -9.451 564 2HD1 ILE 75 HD12 ILE 75 -1.434 -0.118 -9.153 565 3HD1 ILE 75 HD13 ILE 75 -0.616 -0.018 -10.729 566 H ILE 76 H ILE 76 1.416 -2.405 -8.000 567 HA ILE 76 HA ILE 76 3.217 -4.065 -9.762 568 HB ILE 76 HB ILE 76 2.261 -5.967 -8.396 569 1HG1 ILE 76 HG12 ILE 76 1.594 -3.786 -6.372 570 2HG1 ILE 76 HG13 ILE 76 0.380 -4.500 -7.439 571 1HG2 ILE 76 HG21 ILE 76 4.562 -5.000 -8.195 572 2HG2 ILE 76 HG22 ILE 76 3.966 -3.912 -6.928 573 3HG2 ILE 76 HG23 ILE 76 3.968 -5.673 -6.684 574 1HD1 ILE 76 HD11 ILE 76 2.101 -6.216 -5.643 575 2HD1 ILE 76 HD12 ILE 76 0.592 -5.483 -5.110 576 3HD1 ILE 76 HD13 ILE 76 0.588 -6.631 -6.465 577 H GLY 77 H GLY 77 -0.137 -3.065 -9.266 578 1HA GLY 77 HA1 GLY 77 -0.949 -3.576 -11.842 579 2HA GLY 77 HA2 GLY 77 -1.280 -5.073 -10.937 580 H GLU 78 H GLU 78 -3.540 -4.634 -11.187 581 HA GLU 78 HA GLU 78 -4.596 -2.338 -9.650 582 1HB GLU 78 HB2 GLU 78 -4.637 -2.633 -12.448 583 2HB GLU 78 HB3 GLU 78 -6.272 -3.056 -11.962 584 1HG GLU 78 HG2 GLU 78 -6.725 -0.880 -11.295 585 2HG GLU 78 HG3 GLU 78 -5.070 -0.574 -10.755 586 H LEU 79 H LEU 79 -6.934 -2.535 -9.345 587 HA LEU 79 HA LEU 79 -7.391 -4.842 -7.666 588 1HB LEU 79 HB2 LEU 79 -8.327 -2.612 -7.218 589 2HB LEU 79 HB3 LEU 79 -9.208 -2.671 -8.751 590 HG LEU 79 HG LEU 79 -10.370 -4.799 -7.792 591 1HD1 LEU 79 HD11 LEU 79 -8.577 -4.196 -5.597 592 2HD1 LEU 79 HD12 LEU 79 -10.250 -3.977 -5.052 593 3HD1 LEU 79 HD13 LEU 79 -9.728 -5.522 -5.741 594 1HD2 LEU 79 HD21 LEU 79 -11.404 -2.664 -8.211 595 2HD2 LEU 79 HD22 LEU 79 -12.039 -3.419 -6.754 596 3HD2 LEU 79 HD23 LEU 79 -10.882 -2.073 -6.611 597 H HIS 80 H HIS 80 -8.316 -6.763 -8.210 598 HA HIS 80 HA HIS 80 -8.639 -7.601 -10.847 599 1HB HIS 80 HB2 HIS 80 -8.445 -8.908 -8.669 600 2HB HIS 80 HB3 HIS 80 -10.206 -8.851 -8.578 601 HD1 HIS 80 HD1 HIS 80 -11.325 -10.754 -10.087 602 HD2 HIS 80 HD2 HIS 80 -7.205 -10.189 -10.677 603 HE1 HIS 80 HE1 HIS 80 -10.578 -12.607 -11.618 604 HA PRO 81 HA PRO 81 -12.616 -6.071 -12.054 605 1HB PRO 81 HB2 PRO 81 -13.206 -7.722 -14.164 606 2HB PRO 81 HB3 PRO 81 -12.031 -6.377 -14.215 607 1HG PRO 81 HG2 PRO 81 -11.457 -9.316 -13.791 608 2HG PRO 81 HG3 PRO 81 -10.594 -8.164 -14.858 609 1HD PRO 81 HD2 PRO 81 -9.687 -8.865 -12.427 610 2HD PRO 81 HD3 PRO 81 -9.460 -7.205 -13.045 611 H ASP 82 H ASP 82 -12.131 -9.070 -10.550 612 HA ASP 82 HA ASP 82 -14.973 -9.829 -10.490 613 1HB ASP 82 HB2 ASP 82 -13.061 -11.501 -10.605 614 2HB ASP 82 HB3 ASP 82 -12.712 -11.061 -8.892 615 H ASP 83 H ASP 83 -12.757 -7.829 -8.674 616 HA ASP 83 HA ASP 83 -14.115 -8.072 -6.082 617 1HB ASP 83 HB2 ASP 83 -11.759 -7.648 -6.088 618 2HB ASP 83 HB3 ASP 83 -11.950 -6.274 -7.192 619 H ARG 84 H ARG 84 -13.739 -5.642 -8.607 620 HA ARG 84 HA ARG 84 -15.364 -3.638 -7.490 621 1HB ARG 84 HB2 ARG 84 -15.212 -2.570 -9.683 622 2HB ARG 84 HB3 ARG 84 -13.652 -3.245 -9.185 623 1HG ARG 84 HG2 ARG 84 -14.242 -5.310 -10.622 624 2HG ARG 84 HG3 ARG 84 -15.644 -4.417 -11.191 625 1HD ARG 84 HD2 ARG 84 -13.879 -4.189 -12.810 626 2HD ARG 84 HD3 ARG 84 -14.190 -2.620 -12.031 627 HE ARG 84 HE ARG 84 -12.081 -4.101 -10.687 628 1HH1 ARG 84 HH11 ARG 84 -9.484 -2.138 -12.098 629 2HH1 ARG 84 HH12 ARG 84 -9.830 -3.454 -11.030 630 1HH2 ARG 84 HH21 ARG 84 -11.111 -1.537 -13.710 631 2HH2 ARG 84 HH22 ARG 84 -12.724 -2.172 -13.556 632 HHA HEM 201 HGM HEM 201 4.585 10.662 5.047 633 HHB HEM 201 HDM HEM 201 5.774 7.574 -0.500 634 HHC HEM 201 HAM HEM 201 0.770 3.705 0.605 635 HHD HEM 201 HBM HEM 201 -0.087 6.399 6.405 636 1HMA HEM 201 HM81 HEM 201 7.815 8.980 0.403 637 2HMA HEM 201 HM82 HEM 201 6.618 9.859 -0.568 638 3HMA HEM 201 HM83 HEM 201 7.593 10.717 0.617 639 1HAA HEM 201 HAA1 HEM 201 6.591 11.547 4.004 640 2HAA HEM 201 HAA2 HEM 201 7.053 11.809 2.337 641 1HBA HEM 201 HBA1 HEM 201 4.431 12.548 3.673 642 2HBA HEM 201 HBA2 HEM 201 4.592 12.474 1.913 643 1HMB HEM 201 HM11 HEM 201 4.676 4.593 -2.733 644 2HMB HEM 201 HM12 HEM 201 4.883 6.355 -2.726 645 3HMB HEM 201 HM13 HEM 201 5.956 5.307 -1.764 646 HAB HEM 201 HT2A HEM 201 2.411 2.752 -1.553 647 1HBB HEM 201 HV2C HEM 201 0.923 5.203 -2.462 648 2HBB HEM 201 HV2T HEM 201 0.665 3.396 -2.892 649 1HMC HEM 201 HM31 HEM 201 -1.745 2.530 3.215 650 2HMC HEM 201 HM32 HEM 201 -2.069 3.635 1.878 651 3HMC HEM 201 HM33 HEM 201 -0.718 2.476 1.780 652 HAC HEM 201 HT4A HEM 201 -2.307 5.391 5.505 653 1HBC HEM 201 HV4C HEM 201 -1.308 2.489 5.531 654 2HBC HEM 201 HV4T HEM 201 -2.610 3.261 6.614 655 1HMD HEM 201 HM51 HEM 201 1.755 8.426 9.016 656 2HMD HEM 201 HM52 HEM 201 0.221 8.939 8.300 657 3HMD HEM 201 HM53 HEM 201 0.664 7.224 8.336 658 1HAD HEM 201 HAD1 HEM 201 3.646 9.735 8.451 659 2HAD HEM 201 HAD2 HEM 201 4.146 10.824 7.185 660 1HBD HEM 201 HBD1 HEM 201 1.279 11.074 7.755 661 2HBD HEM 201 HBD2 HEM 201 2.276 11.325 9.192 Start of MODEL 8 1 1H ALA 3 H1 ALA 3 3.602 -8.333 -17.364 2 2H ALA 3 H2 ALA 3 3.930 -8.875 -18.913 3 3H ALA 3 H3 ALA 3 4.087 -7.269 -18.508 4 HA ALA 3 HA ALA 3 1.638 -8.847 -18.724 5 1HB ALA 3 HB1 ALA 3 2.332 -6.082 -19.826 6 2HB ALA 3 HB2 ALA 3 2.415 -7.600 -20.750 7 3HB ALA 3 HB3 ALA 3 0.857 -7.022 -20.151 8 H VAL 4 H VAL 4 -0.035 -6.405 -18.364 9 HA VAL 4 HA VAL 4 0.391 -5.629 -15.576 10 HB VAL 4 HB VAL 4 -2.049 -5.496 -17.408 11 1HG1 VAL 4 HG11 VAL 4 -2.804 -5.542 -15.068 12 2HG1 VAL 4 HG12 VAL 4 -1.605 -4.305 -14.631 13 3HG1 VAL 4 HG13 VAL 4 -2.955 -3.908 -15.713 14 1HG2 VAL 4 HG21 VAL 4 -1.527 -3.067 -17.458 15 2HG2 VAL 4 HG22 VAL 4 -0.079 -3.359 -16.474 16 3HG2 VAL 4 HG23 VAL 4 -0.188 -4.012 -18.122 17 H LYS 5 H LYS 5 -0.662 -6.634 -13.792 18 HA LYS 5 HA LYS 5 -2.147 -9.136 -14.300 19 1HB LYS 5 HB2 LYS 5 0.325 -9.632 -13.815 20 2HB LYS 5 HB3 LYS 5 0.100 -8.827 -12.266 21 1HG LYS 5 HG2 LYS 5 -0.103 -11.115 -11.785 22 2HG LYS 5 HG3 LYS 5 -1.773 -10.544 -11.795 23 1HD LYS 5 HD2 LYS 5 -1.905 -11.339 -14.239 24 2HD LYS 5 HD3 LYS 5 -0.275 -12.003 -14.031 25 1HE LYS 5 HE2 LYS 5 -1.128 -13.438 -12.158 26 2HE LYS 5 HE3 LYS 5 -2.750 -12.763 -12.393 27 1HZ LYS 5 HZ1 LYS 5 -1.246 -14.350 -14.371 28 2HZ LYS 5 HZ2 LYS 5 -2.525 -14.866 -13.478 29 3HZ LYS 5 HZ3 LYS 5 -2.740 -13.700 -14.614 30 H TYR 6 H TYR 6 -3.925 -9.248 -12.954 31 HA TYR 6 HA TYR 6 -4.308 -7.023 -11.034 32 1HB TYR 6 HB2 TYR 6 -6.361 -8.809 -12.365 33 2HB TYR 6 HB3 TYR 6 -6.603 -7.410 -11.315 34 HD1 TYR 6 HD1 TYR 6 -5.302 -8.397 -14.690 35 HD2 TYR 6 HD2 TYR 6 -6.797 -5.231 -12.180 36 HE1 TYR 6 HE1 TYR 6 -5.265 -6.842 -16.621 37 HE2 TYR 6 HE2 TYR 6 -6.808 -3.694 -14.118 38 HH TYR 6 HH TYR 6 -6.276 -3.427 -16.343 39 H TYR 7 H TYR 7 -5.391 -7.544 -9.015 40 HA TYR 7 HA TYR 7 -4.941 -10.347 -8.082 41 1HB TYR 7 HB2 TYR 7 -4.207 -7.874 -6.512 42 2HB TYR 7 HB3 TYR 7 -3.823 -9.548 -6.152 43 HD1 TYR 7 HD1 TYR 7 -2.896 -6.519 -7.958 44 HD2 TYR 7 HD2 TYR 7 -2.123 -10.750 -7.720 45 HE1 TYR 7 HE1 TYR 7 -0.856 -6.212 -9.267 46 HE2 TYR 7 HE2 TYR 7 -0.023 -10.426 -9.013 47 HH TYR 7 HH TYR 7 0.945 -7.229 -10.297 48 H THR 8 H THR 8 -6.412 -11.075 -6.553 49 HA THR 8 HA THR 8 -8.980 -9.701 -6.471 50 HB THR 8 HB THR 8 -9.618 -11.799 -5.262 51 HG1 THR 8 HG1 THR 8 -7.665 -13.358 -5.179 52 1HG2 THR 8 HG21 THR 8 -9.161 -13.425 -7.031 53 2HG2 THR 8 HG22 THR 8 -9.556 -11.858 -7.757 54 3HG2 THR 8 HG23 THR 8 -7.869 -12.416 -7.701 55 H LEU 9 H LEU 9 -10.037 -9.071 -4.455 56 HA LEU 9 HA LEU 9 -8.539 -7.840 -2.471 57 1HB LEU 9 HB2 LEU 9 -11.259 -8.346 -2.998 58 2HB LEU 9 HB3 LEU 9 -11.038 -9.151 -1.503 59 HG LEU 9 HG LEU 9 -10.380 -6.222 -2.091 60 1HD1 LEU 9 HD11 LEU 9 -12.802 -6.738 -1.946 61 2HD1 LEU 9 HD12 LEU 9 -12.551 -7.467 -0.346 62 3HD1 LEU 9 HD13 LEU 9 -12.266 -5.730 -0.593 63 1HD2 LEU 9 HD21 LEU 9 -8.816 -7.029 -0.367 64 2HD2 LEU 9 HD22 LEU 9 -10.038 -5.994 0.374 65 3HD2 LEU 9 HD23 LEU 9 -10.164 -7.758 0.538 66 H GLU 10 H GLU 10 -9.738 -11.144 -2.658 67 HA GLU 10 HA GLU 10 -8.954 -12.297 -0.252 68 1HB GLU 10 HB2 GLU 10 -10.318 -13.392 -1.944 69 2HB GLU 10 HB3 GLU 10 -9.033 -13.311 -3.116 70 1HG GLU 10 HG2 GLU 10 -9.250 -15.563 -2.400 71 2HG GLU 10 HG3 GLU 10 -7.702 -14.909 -1.885 72 H GLU 11 H GLU 11 -7.043 -12.564 -3.278 73 HA GLU 11 HA GLU 11 -4.703 -13.489 -2.048 74 1HB GLU 11 HB2 GLU 11 -5.319 -12.065 -4.628 75 2HB GLU 11 HB3 GLU 11 -3.661 -12.250 -4.134 76 1HG GLU 11 HG2 GLU 11 -4.527 -14.106 -5.636 77 2HG GLU 11 HG3 GLU 11 -3.713 -14.605 -4.150 78 H ILE 12 H ILE 12 -5.562 -10.047 -2.801 79 HA ILE 12 HA ILE 12 -3.116 -9.002 -1.827 80 HB ILE 12 HB ILE 12 -5.826 -7.649 -1.779 81 1HG1 ILE 12 HG12 ILE 12 -3.737 -7.293 -3.973 82 2HG1 ILE 12 HG13 ILE 12 -4.889 -8.589 -4.100 83 1HG2 ILE 12 HG21 ILE 12 -3.878 -6.507 -0.498 84 2HG2 ILE 12 HG22 ILE 12 -3.069 -6.373 -2.050 85 3HG2 ILE 12 HG23 ILE 12 -4.609 -5.550 -1.785 86 1HD1 ILE 12 HD11 ILE 12 -5.541 -5.634 -3.880 87 2HD1 ILE 12 HD12 ILE 12 -5.747 -6.671 -5.293 88 3HD1 ILE 12 HD13 ILE 12 -6.757 -6.936 -3.872 89 H GLN 13 H GLN 13 -6.167 -9.780 -0.016 90 HA GLN 13 HA GLN 13 -5.401 -8.678 2.461 91 1HB GLN 13 HB2 GLN 13 -7.315 -10.819 1.548 92 2HB GLN 13 HB3 GLN 13 -7.020 -10.572 3.253 93 1HG GLN 13 HG2 GLN 13 -7.731 -8.248 1.428 94 2HG GLN 13 HG3 GLN 13 -8.978 -9.279 2.141 95 1HE2 GLN 13 HE21 GLN 13 -8.694 -9.629 4.635 96 2HE2 GLN 13 HE22 GLN 13 -8.326 -8.162 5.530 97 H LYS 14 H LYS 14 -4.209 -11.632 0.915 98 HA LYS 14 HA LYS 14 -3.329 -12.799 3.436 99 1HB LYS 14 HB2 LYS 14 -2.455 -13.397 0.582 100 2HB LYS 14 HB3 LYS 14 -2.118 -14.378 2.017 101 1HG LYS 14 HG2 LYS 14 -4.523 -14.716 2.403 102 2HG LYS 14 HG3 LYS 14 -4.904 -13.624 1.078 103 1HD LYS 14 HD2 LYS 14 -3.893 -15.169 -0.559 104 2HD LYS 14 HD3 LYS 14 -3.641 -16.356 0.750 105 1HE LYS 14 HE2 LYS 14 -6.052 -16.381 1.259 106 2HE LYS 14 HE3 LYS 14 -6.336 -15.003 0.198 107 1HZ LYS 14 HZ1 LYS 14 -5.895 -16.335 -1.697 108 2HZ LYS 14 HZ2 LYS 14 -5.636 -17.679 -0.761 109 3HZ LYS 14 HZ3 LYS 14 -7.103 -16.901 -0.735 110 H HIS 15 H HIS 15 -2.142 -10.330 1.287 111 HA HIS 15 HA HIS 15 0.641 -10.461 2.339 112 1HB HIS 15 HB2 HIS 15 -0.681 -8.874 0.116 113 2HB HIS 15 HB3 HIS 15 1.003 -8.698 0.628 114 HD1 HIS 15 HD1 HIS 15 2.489 -9.837 -1.094 115 HD2 HIS 15 HD2 HIS 15 -1.146 -11.835 -0.460 116 HE1 HIS 15 HE1 HIS 15 2.491 -11.877 -2.638 117 H ASN 16 H ASN 16 -0.628 -10.007 4.417 118 HA ASN 16 HA ASN 16 -1.000 -7.061 4.816 119 1HB ASN 16 HB2 ASN 16 -2.702 -7.493 6.426 120 2HB ASN 16 HB3 ASN 16 -3.117 -8.349 4.947 121 1HD2 ASN 16 HD21 ASN 16 -2.813 -10.677 4.909 122 2HD2 ASN 16 HD22 ASN 16 -2.617 -11.634 6.358 123 H ASN 17 H ASN 17 1.600 -8.733 5.290 124 HA ASN 17 HA ASN 17 1.882 -8.227 8.192 125 1HB ASN 17 HB2 ASN 17 0.552 -10.434 7.755 126 2HB ASN 17 HB3 ASN 17 2.103 -11.082 7.213 127 1HD2 ASN 17 HD21 ASN 17 0.697 -12.225 9.345 128 2HD2 ASN 17 HD22 ASN 17 1.557 -11.894 10.837 129 H SER 18 H SER 18 4.044 -9.055 8.986 130 HA SER 18 HA SER 18 6.188 -8.054 7.406 131 1HB SER 18 HB2 SER 18 6.182 -9.811 9.889 132 2HB SER 18 HB3 SER 18 7.576 -8.914 9.262 133 HG SER 18 HG SER 18 6.264 -7.857 10.951 134 H LYS 19 H LYS 19 5.596 -9.340 5.542 135 HA LYS 19 HA LYS 19 7.520 -11.213 4.811 136 1HB LYS 19 HB2 LYS 19 5.865 -12.755 6.172 137 2HB LYS 19 HB3 LYS 19 4.772 -12.531 4.795 138 1HG LYS 19 HG2 LYS 19 6.692 -13.280 3.291 139 2HG LYS 19 HG3 LYS 19 7.641 -13.545 4.764 140 1HD LYS 19 HD2 LYS 19 5.916 -15.215 5.518 141 2HD LYS 19 HD3 LYS 19 5.049 -14.956 3.985 142 1HE LYS 19 HE2 LYS 19 7.161 -15.640 2.748 143 2HE LYS 19 HE3 LYS 19 7.913 -16.006 4.309 144 1HZ LYS 19 HZ1 LYS 19 7.043 -17.962 3.279 145 2HZ LYS 19 HZ2 LYS 19 6.196 -17.667 4.656 146 3HZ LYS 19 HZ3 LYS 19 5.531 -17.329 3.186 147 H SER 20 H SER 20 4.200 -9.855 4.269 148 HA SER 20 HA SER 20 5.225 -8.587 1.972 149 1HB SER 20 HB2 SER 20 4.621 -10.798 0.930 150 2HB SER 20 HB3 SER 20 2.935 -10.446 1.354 151 HG SER 20 HG SER 20 4.698 -8.890 -0.296 152 H THR 21 H THR 21 4.068 -6.766 1.537 153 HA THR 21 HA THR 21 1.638 -6.132 3.115 154 HB THR 21 HB THR 21 4.236 -4.565 2.991 155 HG1 THR 21 HG1 THR 21 3.852 -4.686 5.279 156 1HG2 THR 21 HG21 THR 21 2.678 -2.931 4.461 157 2HG2 THR 21 HG22 THR 21 2.887 -2.750 2.715 158 3HG2 THR 21 HG23 THR 21 1.448 -3.543 3.341 159 H TRP 22 H TRP 22 0.402 -6.409 1.280 160 HA TRP 22 HA TRP 22 0.825 -4.481 -0.951 161 1HB TRP 22 HB2 TRP 22 -1.020 -6.879 -0.730 162 2HB TRP 22 HB3 TRP 22 -0.911 -5.748 -2.065 163 HD1 TRP 22 HD1 TRP 22 2.552 -6.513 -1.146 164 HE1 TRP 22 HE1 TRP 22 3.598 -7.998 -2.860 165 HE3 TRP 22 HE3 TRP 22 -1.723 -8.131 -3.418 166 HZ2 TRP 22 HZ2 TRP 22 2.686 -9.807 -4.992 167 HZ3 TRP 22 HZ3 TRP 22 -1.620 -9.777 -5.243 168 HH2 TRP 22 HH2 TRP 22 0.584 -10.602 -6.078 169 H LEU 23 H LEU 23 -1.263 -3.374 -1.554 170 HA LEU 23 HA LEU 23 -3.528 -3.413 0.136 171 1HB LEU 23 HB2 LEU 23 -3.275 -1.023 1.010 172 2HB LEU 23 HB3 LEU 23 -2.406 -2.302 1.821 173 HG LEU 23 HG LEU 23 -0.353 -1.623 0.328 174 1HD1 LEU 23 HD11 LEU 23 -1.683 -0.030 -1.154 175 2HD1 LEU 23 HD12 LEU 23 -1.955 0.940 0.312 176 3HD1 LEU 23 HD13 LEU 23 -0.314 0.722 -0.325 177 1HD2 LEU 23 HD21 LEU 23 -0.352 -1.309 2.704 178 2HD2 LEU 23 HD22 LEU 23 0.148 0.220 1.944 179 3HD2 LEU 23 HD23 LEU 23 -1.510 0.036 2.578 180 H ILE 24 H ILE 24 -4.973 -1.545 -0.465 181 HA ILE 24 HA ILE 24 -4.807 -1.124 -3.414 182 HB ILE 24 HB ILE 24 -7.209 -1.612 -1.628 183 1HG1 ILE 24 HG12 ILE 24 -6.263 -3.199 -4.051 184 2HG1 ILE 24 HG13 ILE 24 -5.748 -3.591 -2.406 185 1HG2 ILE 24 HG21 ILE 24 -8.504 -1.461 -3.802 186 2HG2 ILE 24 HG22 ILE 24 -7.810 0.072 -3.307 187 3HG2 ILE 24 HG23 ILE 24 -7.015 -0.883 -4.577 188 1HD1 ILE 24 HD11 ILE 24 -8.132 -3.814 -1.690 189 2HD1 ILE 24 HD12 ILE 24 -8.634 -3.611 -3.379 190 3HD1 ILE 24 HD13 ILE 24 -7.645 -4.994 -2.909 191 H LEU 25 H LEU 25 -4.401 0.933 -3.854 192 HA LEU 25 HA LEU 25 -5.791 3.122 -2.346 193 1HB LEU 25 HB2 LEU 25 -3.078 3.019 -3.650 194 2HB LEU 25 HB3 LEU 25 -3.968 4.507 -3.387 195 HG LEU 25 HG LEU 25 -3.420 4.759 -1.328 196 1HD1 LEU 25 HD11 LEU 25 -3.205 3.011 0.377 197 2HD1 LEU 25 HD12 LEU 25 -4.761 3.027 -0.466 198 3HD1 LEU 25 HD13 LEU 25 -3.552 1.793 -0.882 199 1HD2 LEU 25 HD21 LEU 25 -1.316 2.642 -2.004 200 2HD2 LEU 25 HD22 LEU 25 -1.271 4.362 -2.449 201 3HD2 LEU 25 HD23 LEU 25 -1.173 3.873 -0.750 202 H HIS 26 H HIS 26 -7.528 3.571 -3.579 203 HA HIS 26 HA HIS 26 -8.834 4.026 -5.397 204 1HB HIS 26 HB2 HIS 26 -6.264 4.908 -6.752 205 2HB HIS 26 HB3 HIS 26 -7.909 5.408 -7.151 206 HD1 HIS 26 HD1 HIS 26 -9.049 7.204 -5.423 207 HD2 HIS 26 HD2 HIS 26 -5.078 6.042 -4.675 208 HE1 HIS 26 HE1 HIS 26 -8.131 8.834 -3.700 209 H TYR 27 H TYR 27 -8.337 1.400 -5.229 210 HA TYR 27 HA TYR 27 -8.544 -0.546 -6.324 211 1HB TYR 27 HB2 TYR 27 -8.807 0.931 -8.944 212 2HB TYR 27 HB3 TYR 27 -9.426 -0.650 -8.505 213 HD1 TYR 27 HD1 TYR 27 -10.365 2.702 -8.969 214 HD2 TYR 27 HD2 TYR 27 -11.024 -0.622 -6.301 215 HE1 TYR 27 HE1 TYR 27 -12.498 3.712 -8.235 216 HE2 TYR 27 HE2 TYR 27 -13.156 0.400 -5.560 217 HH TYR 27 HH TYR 27 -14.353 3.500 -6.875 218 H LYS 28 H LYS 28 -5.798 1.308 -6.671 219 HA LYS 28 HA LYS 28 -4.432 -0.604 -8.499 220 1HB LYS 28 HB2 LYS 28 -3.782 2.181 -7.527 221 2HB LYS 28 HB3 LYS 28 -2.596 1.126 -8.317 222 1HG LYS 28 HG2 LYS 28 -3.915 0.960 -10.304 223 2HG LYS 28 HG3 LYS 28 -5.324 1.715 -9.527 224 1HD LYS 28 HD2 LYS 28 -4.252 3.861 -9.426 225 2HD LYS 28 HD3 LYS 28 -2.678 3.187 -9.854 226 1HE LYS 28 HE2 LYS 28 -3.784 4.371 -11.766 227 2HE LYS 28 HE3 LYS 28 -3.379 2.683 -12.117 228 1HZ LYS 28 HZ1 LYS 28 -6.082 3.529 -11.288 229 2HZ LYS 28 HZ2 LYS 28 -5.609 3.329 -12.856 230 3HZ LYS 28 HZ3 LYS 28 -5.629 2.059 -11.873 231 H VAL 29 H VAL 29 -3.007 -2.038 -7.737 232 HA VAL 29 HA VAL 29 -2.853 -2.278 -4.821 233 HB VAL 29 HB VAL 29 -1.907 -4.329 -6.815 234 1HG1 VAL 29 HG11 VAL 29 -2.178 -5.838 -4.934 235 2HG1 VAL 29 HG12 VAL 29 -1.241 -4.458 -4.334 236 3HG1 VAL 29 HG13 VAL 29 -2.963 -4.579 -3.957 237 1HG2 VAL 29 HG21 VAL 29 -4.111 -5.433 -6.407 238 2HG2 VAL 29 HG22 VAL 29 -4.688 -3.933 -5.651 239 3HG2 VAL 29 HG23 VAL 29 -4.219 -3.949 -7.364 240 H TYR 30 H TYR 30 -1.033 -1.921 -3.719 241 HA TYR 30 HA TYR 30 1.541 -1.399 -5.183 242 1HB TYR 30 HB2 TYR 30 0.226 0.054 -2.856 243 2HB TYR 30 HB3 TYR 30 1.859 0.357 -3.430 244 HD1 TYR 30 HD1 TYR 30 2.175 1.053 -5.880 245 HD2 TYR 30 HD2 TYR 30 -1.694 1.028 -4.013 246 HE1 TYR 30 HE1 TYR 30 1.326 2.693 -7.560 247 HE2 TYR 30 HE2 TYR 30 -2.482 2.734 -5.671 248 HH TYR 30 HH TYR 30 -0.139 4.724 -7.168 249 H ASP 31 H ASP 31 3.009 -2.923 -4.616 250 HA ASP 31 HA ASP 31 2.930 -4.177 -1.909 251 1HB ASP 31 HB2 ASP 31 3.287 -5.665 -3.877 252 2HB ASP 31 HB3 ASP 31 4.759 -4.777 -4.268 253 H LEU 32 H LEU 32 4.043 -3.011 -0.376 254 HA LEU 32 HA LEU 32 6.604 -1.734 -1.194 255 1HB LEU 32 HB2 LEU 32 4.862 -0.832 1.056 256 2HB LEU 32 HB3 LEU 32 6.212 0.007 0.373 257 HG LEU 32 HG LEU 32 4.507 -0.277 -1.856 258 1HD1 LEU 32 HD11 LEU 32 2.856 0.684 0.514 259 2HD1 LEU 32 HD12 LEU 32 2.323 0.479 -1.164 260 3HD1 LEU 32 HD13 LEU 32 2.699 -0.941 -0.186 261 1HD2 LEU 32 HD21 LEU 32 4.738 2.144 -0.076 262 2HD2 LEU 32 HD22 LEU 32 6.005 1.590 -1.196 263 3HD2 LEU 32 HD23 LEU 32 4.439 2.062 -1.841 264 H THR 33 H THR 33 6.013 -4.501 -0.221 265 HA THR 33 HA THR 33 6.476 -4.828 2.480 266 HB THR 33 HB THR 33 5.890 -6.573 0.827 267 HG1 THR 33 HG1 THR 33 6.754 -6.932 3.039 268 1HG2 THR 33 HG21 THR 33 7.675 -6.201 -0.860 269 2HG2 THR 33 HG22 THR 33 8.829 -6.964 0.270 270 3HG2 THR 33 HG23 THR 33 7.439 -7.875 -0.343 271 H LYS 34 H LYS 34 8.962 -4.412 -0.006 272 HA LYS 34 HA LYS 34 11.130 -4.831 1.914 273 1HB LYS 34 HB2 LYS 34 11.087 -5.351 -0.645 274 2HB LYS 34 HB3 LYS 34 11.428 -3.634 -0.840 275 1HG LYS 34 HG2 LYS 34 13.309 -4.423 1.105 276 2HG LYS 34 HG3 LYS 34 13.084 -5.895 0.192 277 1HD LYS 34 HD2 LYS 34 14.952 -4.716 -0.750 278 2HD LYS 34 HD3 LYS 34 13.632 -4.705 -1.919 279 1HE LYS 34 HE2 LYS 34 14.855 -2.524 -1.779 280 2HE LYS 34 HE3 LYS 34 13.135 -2.353 -1.443 281 1HZ LYS 34 HZ1 LYS 34 14.407 -1.105 0.139 282 2HZ LYS 34 HZ2 LYS 34 13.624 -2.260 0.894 283 3HZ LYS 34 HZ3 LYS 34 15.247 -2.429 0.630 284 H PHE 35 H PHE 35 9.001 -2.332 1.694 285 HA PHE 35 HA PHE 35 10.979 -0.108 1.929 286 1HB PHE 35 HB2 PHE 35 9.230 -0.604 -0.106 287 2HB PHE 35 HB3 PHE 35 8.216 0.290 0.930 288 HD1 PHE 35 HD1 PHE 35 8.068 2.604 0.712 289 HD2 PHE 35 HD2 PHE 35 11.744 0.602 -0.334 290 HE1 PHE 35 HE1 PHE 35 9.039 4.760 -0.021 291 HE2 PHE 35 HE2 PHE 35 12.744 2.775 -0.956 292 HZ PHE 35 HZ PHE 35 11.383 4.853 -0.849 293 H LEU 36 H LEU 36 9.282 -1.978 3.944 294 HA LEU 36 HA LEU 36 7.337 -0.249 5.106 295 1HB LEU 36 HB2 LEU 36 8.964 -2.555 6.260 296 2HB LEU 36 HB3 LEU 36 7.598 -1.802 7.087 297 HG LEU 36 HG LEU 36 7.360 -3.090 4.342 298 1HD1 LEU 36 HD11 LEU 36 6.705 -4.241 7.085 299 2HD1 LEU 36 HD12 LEU 36 6.374 -5.014 5.516 300 3HD1 LEU 36 HD13 LEU 36 8.049 -4.748 6.035 301 1HD2 LEU 36 HD21 LEU 36 5.293 -2.156 6.375 302 2HD2 LEU 36 HD22 LEU 36 5.596 -1.489 4.751 303 3HD2 LEU 36 HD23 LEU 36 4.957 -3.111 4.915 304 H GLU 37 H GLU 37 10.653 -1.028 6.194 305 HA GLU 37 HA GLU 37 10.850 0.975 8.187 306 1HB GLU 37 HB2 GLU 37 13.038 -0.312 6.519 307 2HB GLU 37 HB3 GLU 37 13.224 0.532 8.057 308 1HG GLU 37 HG2 GLU 37 13.267 -1.715 8.687 309 2HG GLU 37 HG3 GLU 37 11.609 -1.234 9.054 310 H GLU 38 H GLU 38 11.414 1.012 4.700 311 HA GLU 38 HA GLU 38 12.792 3.520 4.563 312 1HB GLU 38 HB2 GLU 38 11.230 2.016 2.453 313 2HB GLU 38 HB3 GLU 38 12.360 3.305 2.149 314 1HG GLU 38 HG2 GLU 38 14.064 1.840 3.512 315 2HG GLU 38 HG3 GLU 38 12.980 0.502 3.121 316 H HIS 39 HN HIS 39 9.358 2.595 4.316 317 HA HIS 39 HA HIS 39 8.329 5.070 3.475 318 1HB HIS 39 HB2 HIS 39 6.977 3.069 3.486 319 2HB HIS 39 HB3 HIS 39 7.064 2.963 5.246 320 HD1 HIS 39 HND HIS 39 4.992 3.962 6.462 321 HD2 HIS 39 HD HIS 39 5.698 5.509 2.596 322 HE1 HIS 39 HE HIS 39 3.039 5.471 5.908 323 HA PRO 40 HA PRO 40 9.652 7.197 7.232 324 1HB PRO 40 HB2 PRO 40 8.802 9.748 6.696 325 2HB PRO 40 HB3 PRO 40 10.209 8.991 5.893 326 1HG PRO 40 HG2 PRO 40 7.373 9.168 4.847 327 2HG PRO 40 HG3 PRO 40 8.881 9.596 3.988 328 1HD PRO 40 HD2 PRO 40 7.684 7.195 3.643 329 2HD PRO 40 HD3 PRO 40 9.469 7.307 3.716 330 H GLY 41 H GLY 41 6.332 7.389 5.956 331 1HA GLY 41 HA1 GLY 41 5.113 8.436 8.355 332 2HA GLY 41 HA2 GLY 41 4.338 7.719 6.936 333 H GLY 42 H GLY 42 6.609 6.239 9.246 334 1HA GLY 42 HA1 GLY 42 6.304 4.582 10.792 335 2HA GLY 42 HA2 GLY 42 4.558 4.682 10.574 336 H GLU 43 H GLU 43 7.069 2.609 10.354 337 HA GLU 43 HA GLU 43 6.308 1.065 8.039 338 1HB GLU 43 HB2 GLU 43 7.792 -0.628 8.949 339 2HB GLU 43 HB3 GLU 43 8.521 0.970 8.879 340 1HG GLU 43 HG2 GLU 43 9.344 0.055 10.824 341 2HG GLU 43 HG3 GLU 43 8.109 1.177 11.395 342 H ALA 44 H ALA 44 5.765 0.506 11.595 343 HA ALA 44 HA ALA 44 3.747 -1.286 11.551 344 1HB ALA 44 HB1 ALA 44 3.901 1.218 13.282 345 2HB ALA 44 HB2 ALA 44 2.896 -0.207 13.620 346 3HB ALA 44 HB3 ALA 44 4.659 -0.353 13.622 347 H VAL 45 H VAL 45 3.228 2.227 11.063 348 HA VAL 45 HA VAL 45 0.408 2.144 10.863 349 HB VAL 45 HB VAL 45 2.490 3.984 9.638 350 1HG1 VAL 45 HG11 VAL 45 -0.531 4.295 9.685 351 2HG1 VAL 45 HG12 VAL 45 0.602 5.642 9.431 352 3HG1 VAL 45 HG13 VAL 45 0.568 4.311 8.279 353 1HG2 VAL 45 HG21 VAL 45 0.660 4.301 12.057 354 2HG2 VAL 45 HG22 VAL 45 2.401 3.959 12.127 355 3HG2 VAL 45 HG23 VAL 45 1.832 5.499 11.471 356 H LEU 46 H LEU 46 2.885 1.968 8.216 357 HA LEU 46 HA LEU 46 1.018 1.550 6.131 358 1HB LEU 46 HB2 LEU 46 3.183 2.394 5.717 359 2HB LEU 46 HB3 LEU 46 3.974 1.054 6.559 360 HG LEU 46 HG LEU 46 3.371 -0.484 4.859 361 1HD1 LEU 46 HD11 LEU 46 2.355 0.224 2.720 362 2HD1 LEU 46 HD12 LEU 46 1.218 0.501 4.042 363 3HD1 LEU 46 HD13 LEU 46 2.112 1.869 3.352 364 1HD2 LEU 46 HD21 LEU 46 4.535 2.041 3.591 365 2HD2 LEU 46 HD22 LEU 46 5.440 0.960 4.663 366 3HD2 LEU 46 HD23 LEU 46 4.853 0.368 3.097 367 H ARG 47 H ARG 47 2.697 -0.718 8.340 368 HA ARG 47 HA ARG 47 1.970 -3.113 6.929 369 1HB ARG 47 HB2 ARG 47 3.826 -2.921 8.586 370 2HB ARG 47 HB3 ARG 47 2.617 -2.752 9.878 371 1HG ARG 47 HG2 ARG 47 1.675 -4.983 9.202 372 2HG ARG 47 HG3 ARG 47 2.988 -5.159 8.032 373 1HD ARG 47 HD2 ARG 47 3.307 -4.902 11.075 374 2HD ARG 47 HD3 ARG 47 3.298 -6.398 10.166 375 HE ARG 47 HE ARG 47 5.430 -6.161 9.528 376 1HH1 ARG 47 HH11 ARG 47 7.716 -3.556 10.292 377 2HH1 ARG 47 HH12 ARG 47 7.597 -5.116 9.463 378 1HH2 ARG 47 HH21 ARG 47 6.093 -2.558 11.201 379 2HH2 ARG 47 HH22 ARG 47 4.423 -3.139 11.115 380 H ALA 48 H ALA 48 0.505 -1.269 9.601 381 HA ALA 48 HA ALA 48 -1.523 -3.073 10.345 382 1HB ALA 48 HB1 ALA 48 -1.380 -0.033 10.463 383 2HB ALA 48 HB2 ALA 48 -2.527 -1.041 11.386 384 3HB ALA 48 HB3 ALA 48 -0.775 -1.165 11.682 385 H GLN 49 H GLN 49 -1.462 -0.537 7.836 386 HA GLN 49 HA GLN 49 -4.246 -1.045 7.028 387 1HB GLN 49 HB2 GLN 49 -1.962 0.785 6.286 388 2HB GLN 49 HB3 GLN 49 -3.349 0.668 5.213 389 1HG GLN 49 HG2 GLN 49 -3.592 1.405 8.161 390 2HG GLN 49 HG3 GLN 49 -3.597 2.542 6.805 391 1HE2 GLN 49 HE21 GLN 49 -5.610 0.279 8.575 392 2HE2 GLN 49 HE22 GLN 49 -7.040 0.593 7.603 393 H ALA 50 H ALA 50 -1.323 -2.619 6.423 394 HA ALA 50 HA ALA 50 -1.541 -3.224 3.673 395 1HB ALA 50 HB1 ALA 50 -0.621 -5.123 5.853 396 2HB ALA 50 HB2 ALA 50 -0.136 -5.094 4.143 397 3HB ALA 50 HB3 ALA 50 0.364 -3.786 5.242 398 H GLY 51 H GLY 51 -2.603 -4.904 2.561 399 1HA GLY 51 HA1 GLY 51 -3.704 -7.087 2.797 400 2HA GLY 51 HA2 GLY 51 -4.788 -6.387 4.005 401 H GLY 52 H GLY 52 -5.166 -3.779 2.525 402 1HA GLY 52 HA1 GLY 52 -6.358 -4.373 0.001 403 2HA GLY 52 HA2 GLY 52 -7.557 -4.655 1.282 404 H ASP 53 H ASP 53 -8.899 -2.860 1.239 405 HA ASP 53 HA ASP 53 -8.228 -0.400 0.132 406 1HB ASP 53 HB2 ASP 53 -10.556 -1.030 0.496 407 2HB ASP 53 HB3 ASP 53 -10.320 -0.965 2.255 408 H ALA 54 H ALA 54 -6.603 0.842 0.729 409 HA ALA 54 HA ALA 54 -6.784 2.017 3.464 410 1HB ALA 54 HB1 ALA 54 -4.751 0.605 3.415 411 2HB ALA 54 HB2 ALA 54 -4.190 1.451 1.960 412 3HB ALA 54 HB3 ALA 54 -4.348 2.341 3.495 413 H THR 55 H THR 55 -8.021 2.577 0.798 414 HA THR 55 HA THR 55 -6.501 4.673 -0.493 415 HB THR 55 HB THR 55 -9.481 3.998 -0.632 416 HG1 THR 55 HG1 THR 55 -7.980 2.316 -1.258 417 1HG2 THR 55 HG21 THR 55 -8.972 6.256 -1.529 418 2HG2 THR 55 HG22 THR 55 -7.621 5.578 -2.463 419 3HG2 THR 55 HG23 THR 55 -9.297 5.128 -2.859 420 H ALA 56 H ALA 56 -9.305 4.600 1.736 421 HA ALA 56 HA ALA 56 -9.596 7.388 2.069 422 1HB ALA 56 HB1 ALA 56 -11.256 5.732 2.866 423 2HB ALA 56 HB2 ALA 56 -10.106 5.142 4.087 424 3HB ALA 56 HB3 ALA 56 -10.745 6.796 4.192 425 H ASN 57 H ASN 57 -7.667 5.098 4.083 426 HA ASN 57 HA ASN 57 -6.616 7.052 5.817 427 1HB ASN 57 HB2 ASN 57 -5.496 4.367 4.936 428 2HB ASN 57 HB3 ASN 57 -4.770 5.375 6.195 429 1HD2 ASN 57 HD21 ASN 57 -5.305 4.637 8.224 430 2HD2 ASN 57 HD22 ASN 57 -6.891 4.012 8.643 431 H PHE 58 H PHE 58 -5.168 5.707 2.810 432 HA PHE 58 HA PHE 58 -2.785 7.173 2.757 433 1HB PHE 58 HB2 PHE 58 -3.300 5.363 1.214 434 2HB PHE 58 HB3 PHE 58 -4.597 6.296 0.479 435 HD1 PHE 58 HD1 PHE 58 -4.144 8.082 -1.146 436 HD2 PHE 58 HD2 PHE 58 -0.913 6.043 0.861 437 HE1 PHE 58 HE1 PHE 58 -2.555 9.051 -2.733 438 HE2 PHE 58 HE2 PHE 58 0.694 6.998 -0.771 439 HZ PHE 58 HZ PHE 58 -0.122 8.500 -2.576 440 H GLU 59 H GLU 59 -5.980 8.093 1.372 441 HA GLU 59 HA GLU 59 -5.167 10.679 0.499 442 1HB GLU 59 HB2 GLU 59 -7.876 9.475 1.114 443 2HB GLU 59 HB3 GLU 59 -7.651 11.061 0.355 444 1HG GLU 59 HG2 GLU 59 -6.497 8.499 -0.846 445 2HG GLU 59 HG3 GLU 59 -8.086 9.148 -1.238 446 H ALA 60 H ALA 60 -6.653 9.545 3.535 447 HA ALA 60 HA ALA 60 -7.260 12.058 4.657 448 1HB ALA 60 HB1 ALA 60 -7.189 10.911 6.830 449 2HB ALA 60 HB2 ALA 60 -8.035 9.926 5.622 450 3HB ALA 60 HB3 ALA 60 -6.374 9.518 6.100 451 H VAL 61 H VAL 61 -4.264 10.079 4.977 452 HA VAL 61 HA VAL 61 -2.818 12.470 6.026 453 HB VAL 61 HB VAL 61 -0.966 11.060 6.430 454 1HG1 VAL 61 HG11 VAL 61 -3.498 9.653 7.370 455 2HG1 VAL 61 HG12 VAL 61 -1.915 9.676 8.167 456 3HG1 VAL 61 HG13 VAL 61 -2.859 11.166 8.052 457 1HG2 VAL 61 HG21 VAL 61 -2.377 9.048 4.712 458 2HG2 VAL 61 HG22 VAL 61 -0.656 9.410 4.913 459 3HG2 VAL 61 HG23 VAL 61 -1.504 8.447 6.129 460 H GLY 62 H GLY 62 -3.752 13.301 3.939 461 1HA GLY 62 HA1 GLY 62 -3.331 12.942 1.400 462 2HA GLY 62 HA2 GLY 62 -3.087 14.546 2.093 463 H HIS 63 HN HIS 63 -1.593 11.777 0.661 464 HA HIS 63 HA HIS 63 1.135 12.364 1.220 465 1HB HIS 63 HB2 HIS 63 -0.300 10.717 -0.891 466 2HB HIS 63 HB3 HIS 63 1.456 10.860 -0.846 467 HD1 HIS 63 HND HIS 63 -1.323 9.680 1.694 468 HD2 HIS 63 HD HIS 63 2.753 9.318 0.685 469 HE1 HIS 63 HE HIS 63 -0.356 7.902 3.204 470 H SER 64 H SER 64 2.728 13.364 0.017 471 HA SER 64 HA SER 64 1.924 15.694 -1.463 472 1HB SER 64 HB2 SER 64 3.933 15.505 0.036 473 2HB SER 64 HB3 SER 64 4.698 14.468 -1.178 474 HG SER 64 HG SER 64 5.261 16.703 -1.386 475 H THR 65 H THR 65 3.558 16.070 -3.503 476 HA THR 65 HA THR 65 2.265 14.643 -5.675 477 HB THR 65 HB THR 65 4.041 15.955 -7.019 478 HG1 THR 65 HG1 THR 65 5.174 17.518 -5.742 479 1HG2 THR 65 HG21 THR 65 2.345 17.574 -5.058 480 2HG2 THR 65 HG22 THR 65 3.020 18.159 -6.592 481 3HG2 THR 65 HG23 THR 65 1.779 16.892 -6.598 482 H ASP 66 H ASP 66 5.731 14.971 -5.039 483 HA ASP 66 HA ASP 66 6.727 12.823 -6.451 484 1HB ASP 66 HB2 ASP 66 7.976 14.500 -4.939 485 2HB ASP 66 HB3 ASP 66 7.593 13.480 -3.567 486 H ALA 67 H ALA 67 5.479 12.734 -3.195 487 HA ALA 67 HA ALA 67 5.814 9.978 -2.641 488 1HB ALA 67 HB1 ALA 67 4.225 10.294 -0.828 489 2HB ALA 67 HB2 ALA 67 5.320 11.683 -0.947 490 3HB ALA 67 HB3 ALA 67 3.657 11.812 -1.549 491 H ARG 68 H ARG 68 2.871 11.620 -4.130 492 HA ARG 68 HA ARG 68 1.498 9.045 -4.212 493 1HB ARG 68 HB2 ARG 68 -0.320 10.203 -4.993 494 2HB ARG 68 HB3 ARG 68 0.522 11.524 -4.172 495 1HG ARG 68 HG2 ARG 68 1.668 11.909 -6.490 496 2HG ARG 68 HG3 ARG 68 0.425 10.831 -7.136 497 1HD ARG 68 HD2 ARG 68 -1.260 12.459 -6.342 498 2HD ARG 68 HD3 ARG 68 0.058 13.499 -5.741 499 HE ARG 68 HE ARG 68 0.592 12.666 -8.460 500 1HH1 ARG 68 HH11 ARG 68 0.072 15.585 -10.077 501 2HH1 ARG 68 HH12 ARG 68 0.811 13.977 -9.986 502 1HH2 ARG 68 HH21 ARG 68 -1.246 16.236 -8.063 503 2HH2 ARG 68 HH22 ARG 68 -1.365 15.062 -6.781 504 H GLU 69 H GLU 69 3.711 10.851 -6.319 505 HA GLU 69 HA GLU 69 3.047 9.327 -8.692 506 1HB GLU 69 HB2 GLU 69 5.329 11.090 -7.895 507 2HB GLU 69 HB3 GLU 69 5.188 10.413 -9.500 508 1HG GLU 69 HG2 GLU 69 3.371 12.454 -8.163 509 2HG GLU 69 HG3 GLU 69 4.379 12.671 -9.583 510 H LEU 70 H LEU 70 5.521 9.239 -6.223 511 HA LEU 70 HA LEU 70 7.163 7.190 -6.891 512 1HB LEU 70 HB2 LEU 70 7.543 8.687 -5.095 513 2HB LEU 70 HB3 LEU 70 6.144 8.077 -4.212 514 HG LEU 70 HG LEU 70 7.186 6.386 -3.267 515 1HD1 LEU 70 HD11 LEU 70 8.895 6.285 -5.726 516 2HD1 LEU 70 HD12 LEU 70 9.279 5.370 -4.235 517 3HD1 LEU 70 HD13 LEU 70 7.708 5.129 -5.045 518 1HD2 LEU 70 HD21 LEU 70 9.552 8.193 -3.908 519 2HD2 LEU 70 HD22 LEU 70 8.348 8.502 -2.639 520 3HD2 LEU 70 HD23 LEU 70 9.405 7.080 -2.531 521 H SER 71 H SER 71 4.174 6.821 -5.010 522 HA SER 71 HA SER 71 3.760 4.168 -4.773 523 1HB SER 71 HB2 SER 71 1.500 4.373 -4.904 524 2HB SER 71 HB3 SER 71 1.977 6.033 -4.498 525 HG SER 71 HG SER 71 1.480 6.594 -6.591 526 H LYS 72 H LYS 72 3.518 5.808 -7.980 527 HA LYS 72 HA LYS 72 2.444 3.550 -9.357 528 1HB LYS 72 HB2 LYS 72 4.022 5.893 -10.489 529 2HB LYS 72 HB3 LYS 72 2.981 4.777 -11.373 530 1HG LYS 72 HG2 LYS 72 0.990 5.594 -10.087 531 2HG LYS 72 HG3 LYS 72 2.036 6.594 -9.095 532 1HD LYS 72 HD2 LYS 72 1.175 8.158 -10.464 533 2HD LYS 72 HD3 LYS 72 2.738 7.875 -11.186 534 1HE LYS 72 HE2 LYS 72 0.040 6.725 -12.117 535 2HE LYS 72 HE3 LYS 72 0.875 8.112 -12.829 536 1HZ LYS 72 HZ1 LYS 72 2.698 6.624 -13.387 537 2HZ LYS 72 HZ2 LYS 72 1.835 5.337 -12.829 538 3HZ LYS 72 HZ3 LYS 72 1.290 6.188 -14.123 539 H THR 73 H THR 73 5.783 4.522 -8.583 540 HA THR 73 HA THR 73 7.126 2.667 -10.322 541 HB THR 73 HB THR 73 7.991 3.933 -7.680 542 HG1 THR 73 HG1 THR 73 8.265 4.778 -10.368 543 1HG2 THR 73 HG21 THR 73 10.284 3.687 -8.562 544 2HG2 THR 73 HG22 THR 73 9.514 2.141 -8.192 545 3HG2 THR 73 HG23 THR 73 9.654 2.678 -9.886 546 H PHE 74 H PHE 74 5.393 2.385 -7.353 547 HA PHE 74 HA PHE 74 6.391 -0.360 -6.754 548 1HB PHE 74 HB2 PHE 74 4.791 1.683 -5.144 549 2HB PHE 74 HB3 PHE 74 4.977 0.009 -4.683 550 HD1 PHE 74 HD1 PHE 74 6.609 -0.530 -3.187 551 HD2 PHE 74 HD2 PHE 74 7.217 2.891 -5.721 552 HE1 PHE 74 HE1 PHE 74 8.783 -0.136 -2.127 553 HE2 PHE 74 HE2 PHE 74 9.456 3.220 -4.703 554 HZ PHE 74 HZ PHE 74 10.124 1.835 -2.730 555 H ILE 75 H ILE 75 4.125 0.950 -8.814 556 HA ILE 75 HA ILE 75 1.773 -0.473 -7.950 557 HB ILE 75 HB ILE 75 2.142 1.414 -9.788 558 1HG1 ILE 75 HG12 ILE 75 -0.029 -0.685 -9.675 559 2HG1 ILE 75 HG13 ILE 75 0.114 0.845 -8.773 560 1HG2 ILE 75 HG21 ILE 75 1.864 -1.086 -11.487 561 2HG2 ILE 75 HG22 ILE 75 1.901 0.601 -12.059 562 3HG2 ILE 75 HG23 ILE 75 3.356 -0.109 -11.374 563 1HD1 ILE 75 HD11 ILE 75 -1.455 1.169 -10.522 564 2HD1 ILE 75 HD12 ILE 75 0.018 2.109 -10.870 565 3HD1 ILE 75 HD13 ILE 75 -0.322 0.588 -11.751 566 H ILE 76 H ILE 76 1.394 -2.626 -7.947 567 HA ILE 76 HA ILE 76 3.113 -4.375 -9.687 568 HB ILE 76 HB ILE 76 2.204 -6.200 -8.282 569 1HG1 ILE 76 HG12 ILE 76 1.411 -4.041 -6.278 570 2HG1 ILE 76 HG13 ILE 76 0.244 -4.702 -7.424 571 1HG2 ILE 76 HG21 ILE 76 3.784 -4.040 -6.804 572 2HG2 ILE 76 HG22 ILE 76 3.807 -5.779 -6.459 573 3HG2 ILE 76 HG23 ILE 76 4.460 -5.179 -7.981 574 1HD1 ILE 76 HD11 ILE 76 0.580 -6.948 -6.575 575 2HD1 ILE 76 HD12 ILE 76 1.894 -6.395 -5.518 576 3HD1 ILE 76 HD13 ILE 76 0.244 -5.851 -5.220 577 H GLY 77 H GLY 77 -0.075 -2.979 -9.327 578 1HA GLY 77 HA1 GLY 77 -0.949 -3.206 -11.817 579 2HA GLY 77 HA2 GLY 77 -1.308 -4.832 -11.221 580 H GLU 78 H GLU 78 -3.495 -4.708 -11.106 581 HA GLU 78 HA GLU 78 -4.706 -2.594 -9.404 582 1HB GLU 78 HB2 GLU 78 -5.153 -3.136 -12.312 583 2HB GLU 78 HB3 GLU 78 -6.594 -2.996 -11.329 584 1HG GLU 78 HG2 GLU 78 -5.583 -0.811 -10.408 585 2HG GLU 78 HG3 GLU 78 -4.437 -0.921 -11.756 586 H LEU 79 H LEU 79 -6.906 -2.955 -8.918 587 HA LEU 79 HA LEU 79 -7.340 -5.408 -7.569 588 1HB LEU 79 HB2 LEU 79 -8.327 -3.192 -6.980 589 2HB LEU 79 HB3 LEU 79 -9.242 -3.215 -8.495 590 HG LEU 79 HG LEU 79 -10.381 -5.316 -7.711 591 1HD1 LEU 79 HD11 LEU 79 -9.474 -6.424 -5.944 592 2HD1 LEU 79 HD12 LEU 79 -8.405 -5.064 -5.537 593 3HD1 LEU 79 HD13 LEU 79 -10.048 -5.105 -4.910 594 1HD2 LEU 79 HD21 LEU 79 -10.710 -2.964 -5.848 595 2HD2 LEU 79 HD22 LEU 79 -11.299 -3.021 -7.531 596 3HD2 LEU 79 HD23 LEU 79 -11.925 -4.167 -6.350 597 H HIS 80 H HIS 80 -8.284 -7.274 -8.237 598 HA HIS 80 HA HIS 80 -8.568 -7.958 -10.917 599 1HB HIS 80 HB2 HIS 80 -8.374 -9.419 -8.822 600 2HB HIS 80 HB3 HIS 80 -10.137 -9.361 -8.743 601 HD1 HIS 80 HD1 HIS 80 -11.312 -11.033 -10.508 602 HD2 HIS 80 HD2 HIS 80 -7.149 -10.598 -10.907 603 HE1 HIS 80 HE1 HIS 80 -10.591 -12.720 -12.227 604 HA PRO 81 HA PRO 81 -12.457 -6.241 -12.200 605 1HB PRO 81 HB2 PRO 81 -13.056 -7.828 -14.351 606 2HB PRO 81 HB3 PRO 81 -11.817 -6.540 -14.344 607 1HG PRO 81 HG2 PRO 81 -11.383 -9.506 -13.847 608 2HG PRO 81 HG3 PRO 81 -10.502 -8.457 -15.002 609 1HD PRO 81 HD2 PRO 81 -9.482 -8.993 -12.618 610 2HD PRO 81 HD3 PRO 81 -9.399 -7.314 -13.216 611 H ASP 82 H ASP 82 -12.109 -9.318 -10.774 612 HA ASP 82 HA ASP 82 -14.932 -10.119 -10.883 613 1HB ASP 82 HB2 ASP 82 -13.088 -11.792 -10.800 614 2HB ASP 82 HB3 ASP 82 -12.640 -11.167 -9.172 615 H ASP 83 H ASP 83 -12.764 -8.204 -8.839 616 HA ASP 83 HA ASP 83 -14.392 -8.367 -6.417 617 1HB ASP 83 HB2 ASP 83 -11.994 -8.086 -6.275 618 2HB ASP 83 HB3 ASP 83 -12.087 -6.605 -7.270 619 H ARG 84 H ARG 84 -13.536 -5.825 -8.707 620 HA ARG 84 HA ARG 84 -15.169 -3.833 -7.585 621 1HB ARG 84 HB2 ARG 84 -14.536 -2.488 -9.507 622 2HB ARG 84 HB3 ARG 84 -13.143 -3.410 -8.908 623 1HG ARG 84 HG2 ARG 84 -13.535 -5.108 -10.710 624 2HG ARG 84 HG3 ARG 84 -14.877 -4.142 -11.309 625 1HD ARG 84 HD2 ARG 84 -13.084 -3.601 -12.714 626 2HD ARG 84 HD3 ARG 84 -13.329 -2.215 -11.629 627 HE ARG 84 HE ARG 84 -11.331 -4.110 -10.648 628 1HH1 ARG 84 HH11 ARG 84 -8.584 -2.143 -11.824 629 2HH1 ARG 84 HH12 ARG 84 -9.040 -3.594 -10.948 630 1HH2 ARG 84 HH21 ARG 84 -10.120 -0.969 -12.951 631 2HH2 ARG 84 HH22 ARG 84 -11.824 -1.376 -12.886 632 HHA HEM 201 HGM HEM 201 4.470 10.832 5.096 633 HHB HEM 201 HDM HEM 201 5.799 7.624 -0.358 634 HHC HEM 201 HAM HEM 201 0.863 3.661 0.819 635 HHD HEM 201 HBM HEM 201 -0.053 6.480 6.564 636 1HMA HEM 201 HM81 HEM 201 6.927 9.524 -0.368 637 2HMA HEM 201 HM82 HEM 201 7.139 11.029 0.508 638 3HMA HEM 201 HM83 HEM 201 8.092 9.604 0.968 639 1HAA HEM 201 HAA1 HEM 201 6.573 11.526 4.237 640 2HAA HEM 201 HAA2 HEM 201 7.208 11.801 2.626 641 1HBA HEM 201 HBA1 HEM 201 5.781 13.658 3.414 642 2HBA HEM 201 HBA2 HEM 201 4.392 12.572 3.518 643 1HMB HEM 201 HM11 HEM 201 4.546 4.823 -2.713 644 2HMB HEM 201 HM12 HEM 201 4.894 6.543 -2.519 645 3HMB HEM 201 HM13 HEM 201 5.913 5.322 -1.719 646 HAB HEM 201 HT2A HEM 201 2.408 2.725 -1.204 647 1HBB HEM 201 HV2C HEM 201 1.123 5.119 -2.482 648 2HBB HEM 201 HV2T HEM 201 0.927 3.284 -2.855 649 1HMC HEM 201 HM31 HEM 201 -1.106 2.193 3.428 650 2HMC HEM 201 HM32 HEM 201 -2.224 3.383 2.740 651 3HMC HEM 201 HM33 HEM 201 -0.910 2.732 1.748 652 HAC HEM 201 HT4A HEM 201 -2.439 5.306 5.345 653 1HBC HEM 201 HV4C HEM 201 -0.762 3.101 6.624 654 2HBC HEM 201 HV4T HEM 201 -2.008 4.218 7.454 655 1HMD HEM 201 HM51 HEM 201 -0.110 8.092 8.109 656 2HMD HEM 201 HM52 HEM 201 1.457 8.013 8.938 657 3HMD HEM 201 HM53 HEM 201 0.690 9.581 8.611 658 1HAD HEM 201 HAD1 HEM 201 2.918 10.407 8.523 659 2HAD HEM 201 HAD2 HEM 201 4.072 10.920 7.319 660 1HBD HEM 201 HBD1 HEM 201 2.390 12.346 6.307 661 2HBD HEM 201 HBD2 HEM 201 1.221 11.810 7.524 Start of MODEL 9 1 1H ALA 3 H1 ALA 3 3.694 -2.154 -16.335 2 2H ALA 3 H2 ALA 3 4.273 -2.483 -14.855 3 3H ALA 3 H3 ALA 3 5.247 -2.734 -16.183 4 HA ALA 3 HA ALA 3 3.728 -4.443 -16.952 5 1HB ALA 3 HB1 ALA 3 5.617 -5.131 -15.486 6 2HB ALA 3 HB2 ALA 3 4.601 -4.858 -14.052 7 3HB ALA 3 HB3 ALA 3 4.186 -6.138 -15.211 8 H VAL 4 H VAL 4 1.958 -6.062 -15.824 9 HA VAL 4 HA VAL 4 0.120 -4.767 -14.043 10 HB VAL 4 HB VAL 4 -0.450 -3.666 -16.209 11 1HG1 VAL 4 HG11 VAL 4 -1.138 -6.460 -17.226 12 2HG1 VAL 4 HG12 VAL 4 -1.412 -4.925 -18.064 13 3HG1 VAL 4 HG13 VAL 4 0.242 -5.481 -17.767 14 1HG2 VAL 4 HG21 VAL 4 -2.821 -4.037 -16.173 15 2HG2 VAL 4 HG22 VAL 4 -2.643 -5.604 -15.376 16 3HG2 VAL 4 HG23 VAL 4 -2.216 -4.108 -14.510 17 H LYS 5 H LYS 5 -1.476 -6.300 -13.396 18 HA LYS 5 HA LYS 5 -2.096 -8.839 -14.308 19 1HB LYS 5 HB2 LYS 5 0.403 -8.716 -12.639 20 2HB LYS 5 HB3 LYS 5 -0.788 -9.911 -12.137 21 1HG LYS 5 HG2 LYS 5 -0.611 -11.204 -14.013 22 2HG LYS 5 HG3 LYS 5 -0.144 -9.869 -15.063 23 1HD LYS 5 HD2 LYS 5 2.060 -9.724 -13.888 24 2HD LYS 5 HD3 LYS 5 1.620 -11.168 -12.946 25 1HE LYS 5 HE2 LYS 5 1.391 -12.456 -15.090 26 2HE LYS 5 HE3 LYS 5 1.805 -10.996 -16.006 27 1HZ LYS 5 HZ1 LYS 5 3.583 -12.382 -14.110 28 2HZ LYS 5 HZ2 LYS 5 3.692 -12.419 -15.750 29 3HZ LYS 5 HZ3 LYS 5 3.958 -11.012 -14.943 30 H TYR 6 H TYR 6 -4.125 -8.948 -13.311 31 HA TYR 6 HA TYR 6 -4.574 -7.044 -11.181 32 1HB TYR 6 HB2 TYR 6 -6.565 -9.034 -12.253 33 2HB TYR 6 HB3 TYR 6 -6.842 -7.568 -11.337 34 HD1 TYR 6 HD1 TYR 6 -5.964 -8.868 -14.696 35 HD2 TYR 6 HD2 TYR 6 -6.772 -5.360 -12.329 36 HE1 TYR 6 HE1 TYR 6 -5.794 -7.454 -16.729 37 HE2 TYR 6 HE2 TYR 6 -6.584 -3.947 -14.357 38 HH TYR 6 HH TYR 6 -6.070 -3.892 -16.587 39 H TYR 7 H TYR 7 -5.355 -7.534 -9.058 40 HA TYR 7 HA TYR 7 -4.911 -10.338 -8.109 41 1HB TYR 7 HB2 TYR 7 -4.143 -7.838 -6.590 42 2HB TYR 7 HB3 TYR 7 -3.809 -9.506 -6.160 43 HD1 TYR 7 HD1 TYR 7 -2.447 -10.833 -8.193 44 HD2 TYR 7 HD2 TYR 7 -2.342 -6.601 -7.388 45 HE1 TYR 7 HE1 TYR 7 -0.358 -10.619 -9.518 46 HE2 TYR 7 HE2 TYR 7 -0.258 -6.412 -8.653 47 HH TYR 7 HH TYR 7 1.111 -7.425 -10.216 48 H THR 8 H THR 8 -6.415 -11.071 -6.640 49 HA THR 8 HA THR 8 -8.923 -9.598 -6.453 50 HB THR 8 HB THR 8 -9.725 -11.607 -5.359 51 HG1 THR 8 HG1 THR 8 -7.494 -13.133 -5.405 52 1HG2 THR 8 HG21 THR 8 -9.448 -11.743 -7.836 53 2HG2 THR 8 HG22 THR 8 -7.844 -12.476 -7.607 54 3HG2 THR 8 HG23 THR 8 -9.290 -13.314 -7.029 55 H LEU 9 H LEU 9 -10.001 -9.262 -4.323 56 HA LEU 9 HA LEU 9 -8.477 -7.820 -2.480 57 1HB LEU 9 HB2 LEU 9 -11.149 -8.332 -2.839 58 2HB LEU 9 HB3 LEU 9 -10.864 -9.289 -1.406 59 HG LEU 9 HG LEU 9 -10.425 -6.298 -1.793 60 1HD1 LEU 9 HD11 LEU 9 -12.756 -7.138 -1.300 61 2HD1 LEU 9 HD12 LEU 9 -12.146 -7.839 0.206 62 3HD1 LEU 9 HD13 LEU 9 -12.108 -6.080 -0.039 63 1HD2 LEU 9 HD21 LEU 9 -9.704 -7.986 0.635 64 2HD2 LEU 9 HD22 LEU 9 -8.559 -7.054 -0.363 65 3HD2 LEU 9 HD23 LEU 9 -9.760 -6.212 0.614 66 H GLU 10 H GLU 10 -9.500 -11.199 -2.478 67 HA GLU 10 HA GLU 10 -8.391 -12.295 -0.151 68 1HB GLU 10 HB2 GLU 10 -9.859 -13.467 -1.561 69 2HB GLU 10 HB3 GLU 10 -8.823 -13.345 -2.947 70 1HG GLU 10 HG2 GLU 10 -8.799 -15.610 -2.007 71 2HG GLU 10 HG3 GLU 10 -7.225 -14.809 -2.097 72 H GLU 11 H GLU 11 -6.865 -12.422 -3.348 73 HA GLU 11 HA GLU 11 -4.309 -13.285 -2.671 74 1HB GLU 11 HB2 GLU 11 -5.479 -11.657 -4.873 75 2HB GLU 11 HB3 GLU 11 -3.763 -11.461 -4.626 76 1HG GLU 11 HG2 GLU 11 -4.221 -13.240 -6.266 77 2HG GLU 11 HG3 GLU 11 -3.357 -13.854 -4.852 78 H ILE 12 H ILE 12 -5.413 -9.881 -2.761 79 HA ILE 12 HA ILE 12 -2.863 -8.896 -1.879 80 HB ILE 12 HB ILE 12 -5.605 -7.576 -1.751 81 1HG1 ILE 12 HG12 ILE 12 -3.560 -7.147 -3.965 82 2HG1 ILE 12 HG13 ILE 12 -4.696 -8.458 -4.104 83 1HG2 ILE 12 HG21 ILE 12 -3.785 -6.410 -0.433 84 2HG2 ILE 12 HG22 ILE 12 -2.830 -6.331 -1.920 85 3HG2 ILE 12 HG23 ILE 12 -4.360 -5.454 -1.799 86 1HD1 ILE 12 HD11 ILE 12 -5.643 -6.600 -5.257 87 2HD1 ILE 12 HD12 ILE 12 -6.592 -6.865 -3.797 88 3HD1 ILE 12 HD13 ILE 12 -5.408 -5.535 -3.863 89 H GLN 13 H GLN 13 -5.890 -9.682 -0.103 90 HA GLN 13 HA GLN 13 -5.178 -8.681 2.387 91 1HB GLN 13 HB2 GLN 13 -7.043 -10.822 1.390 92 2HB GLN 13 HB3 GLN 13 -6.687 -10.771 3.101 93 1HG GLN 13 HG2 GLN 13 -7.597 -8.340 1.536 94 2HG GLN 13 HG3 GLN 13 -8.712 -9.442 2.374 95 1HE2 GLN 13 HE21 GLN 13 -9.061 -7.000 3.246 96 2HE2 GLN 13 HE22 GLN 13 -8.225 -6.711 4.764 97 H LYS 14 H LYS 14 -4.415 -11.925 1.029 98 HA LYS 14 HA LYS 14 -3.204 -12.938 3.381 99 1HB LYS 14 HB2 LYS 14 -2.631 -13.417 0.444 100 2HB LYS 14 HB3 LYS 14 -1.804 -14.311 1.734 101 1HG LYS 14 HG2 LYS 14 -3.878 -15.156 2.629 102 2HG LYS 14 HG3 LYS 14 -4.852 -14.167 1.546 103 1HD LYS 14 HD2 LYS 14 -2.935 -16.365 0.619 104 2HD LYS 14 HD3 LYS 14 -4.680 -16.541 0.883 105 1HE LYS 14 HE2 LYS 14 -4.756 -14.379 -0.716 106 2HE LYS 14 HE3 LYS 14 -3.237 -15.049 -1.321 107 1HZ LYS 14 HZ1 LYS 14 -5.879 -16.323 -1.137 108 2HZ LYS 14 HZ2 LYS 14 -5.169 -15.805 -2.538 109 3HZ LYS 14 HZ3 LYS 14 -4.544 -17.102 -1.748 110 H HIS 15 H HIS 15 -2.025 -10.431 1.280 111 HA HIS 15 HA HIS 15 0.739 -10.545 2.395 112 1HB HIS 15 HB2 HIS 15 -0.503 -8.880 0.192 113 2HB HIS 15 HB3 HIS 15 1.157 -8.745 0.773 114 HD1 HIS 15 HD1 HIS 15 2.393 -9.556 -1.384 115 HD2 HIS 15 HD2 HIS 15 -0.830 -12.002 -0.285 116 HE1 HIS 15 HE1 HIS 15 2.505 -11.620 -2.864 117 H ASN 16 H ASN 16 -0.672 -10.213 4.422 118 HA ASN 16 HA ASN 16 -0.905 -7.317 5.074 119 1HB ASN 16 HB2 ASN 16 -2.775 -7.597 6.449 120 2HB ASN 16 HB3 ASN 16 -3.207 -8.255 4.889 121 1HD2 ASN 16 HD21 ASN 16 -2.629 -10.799 4.861 122 2HD2 ASN 16 HD22 ASN 16 -3.079 -11.729 6.274 123 H ASN 17 H ASN 17 1.430 -8.214 5.428 124 HA ASN 17 HA ASN 17 3.049 -8.225 7.073 125 1HB ASN 17 HB2 ASN 17 1.443 -6.833 8.475 126 2HB ASN 17 HB3 ASN 17 0.897 -8.331 9.214 127 1HD2 ASN 17 HD21 ASN 17 1.577 -7.531 11.278 128 2HD2 ASN 17 HD22 ASN 17 3.268 -7.650 11.719 129 H SER 18 H SER 18 2.327 -10.460 5.741 130 HA SER 18 HA SER 18 3.219 -12.519 7.667 131 1HB SER 18 HB2 SER 18 0.811 -12.864 7.577 132 2HB SER 18 HB3 SER 18 0.817 -12.944 5.814 133 HG SER 18 HG SER 18 2.110 -14.837 5.997 134 H LYS 19 H LYS 19 2.190 -12.779 4.222 135 HA LYS 19 HA LYS 19 4.834 -13.760 3.589 136 1HB LYS 19 HB2 LYS 19 2.765 -14.581 2.545 137 2HB LYS 19 HB3 LYS 19 2.555 -13.054 1.682 138 1HG LYS 19 HG2 LYS 19 5.173 -14.606 1.494 139 2HG LYS 19 HG3 LYS 19 3.770 -15.170 0.604 140 1HD LYS 19 HD2 LYS 19 3.881 -13.618 -0.966 141 2HD LYS 19 HD3 LYS 19 4.156 -12.286 0.139 142 1HE LYS 19 HE2 LYS 19 6.374 -14.277 -0.556 143 2HE LYS 19 HE3 LYS 19 6.010 -12.889 -1.587 144 1HZ LYS 19 HZ1 LYS 19 7.760 -12.394 0.016 145 2HZ LYS 19 HZ2 LYS 19 6.438 -11.420 0.202 146 3HZ LYS 19 HZ3 LYS 19 6.694 -12.583 1.271 147 H SER 20 H SER 20 3.020 -10.751 2.800 148 HA SER 20 HA SER 20 5.460 -9.161 2.676 149 1HB SER 20 HB2 SER 20 3.521 -9.442 0.342 150 2HB SER 20 HB3 SER 20 4.738 -8.193 0.464 151 HG SER 20 HG SER 20 5.619 -9.652 -0.791 152 H THR 21 H THR 21 4.505 -6.868 1.985 153 HA THR 21 HA THR 21 1.925 -6.300 3.360 154 HB THR 21 HB THR 21 4.135 -4.272 2.895 155 HG1 THR 21 HG1 THR 21 5.228 -5.908 3.779 156 1HG2 THR 21 HG21 THR 21 1.858 -3.686 3.775 157 2HG2 THR 21 HG22 THR 21 2.234 -4.704 5.202 158 3HG2 THR 21 HG23 THR 21 3.172 -3.239 4.853 159 H TRP 22 H TRP 22 0.521 -6.454 1.498 160 HA TRP 22 HA TRP 22 1.061 -4.481 -0.669 161 1HB TRP 22 HB2 TRP 22 -0.770 -6.903 -0.645 162 2HB TRP 22 HB3 TRP 22 -0.679 -5.680 -1.890 163 HD1 TRP 22 HD1 TRP 22 2.796 -6.285 -1.127 164 HE1 TRP 22 HE1 TRP 22 3.879 -7.694 -2.880 165 HE3 TRP 22 HE3 TRP 22 -1.441 -8.072 -3.377 166 HZ2 TRP 22 HZ2 TRP 22 3.025 -9.497 -5.037 167 HZ3 TRP 22 HZ3 TRP 22 -1.274 -9.680 -5.246 168 HH2 TRP 22 HH2 TRP 22 0.949 -10.369 -6.115 169 H LEU 23 H LEU 23 -1.043 -3.385 -1.381 170 HA LEU 23 HA LEU 23 -3.351 -3.468 0.271 171 1HB LEU 23 HB2 LEU 23 -3.169 -1.079 1.152 172 2HB LEU 23 HB3 LEU 23 -2.268 -2.333 1.960 173 HG LEU 23 HG LEU 23 -0.231 -1.600 0.480 174 1HD1 LEU 23 HD11 LEU 23 -0.262 0.765 -0.160 175 2HD1 LEU 23 HD12 LEU 23 -1.588 -0.042 -1.007 176 3HD1 LEU 23 HD13 LEU 23 -1.913 0.917 0.457 177 1HD2 LEU 23 HD21 LEU 23 -1.374 0.132 2.688 178 2HD2 LEU 23 HD22 LEU 23 -0.322 -1.289 2.890 179 3HD2 LEU 23 HD23 LEU 23 0.311 0.168 2.097 180 H ILE 24 H ILE 24 -4.841 -1.584 -0.311 181 HA ILE 24 HA ILE 24 -4.701 -1.195 -3.274 182 HB ILE 24 HB ILE 24 -7.097 -1.678 -1.478 183 1HG1 ILE 24 HG12 ILE 24 -6.218 -3.289 -3.904 184 2HG1 ILE 24 HG13 ILE 24 -5.583 -3.639 -2.294 185 1HG2 ILE 24 HG21 ILE 24 -6.922 -0.996 -4.450 186 2HG2 ILE 24 HG22 ILE 24 -8.392 -1.597 -3.665 187 3HG2 ILE 24 HG23 ILE 24 -7.739 -0.039 -3.196 188 1HD1 ILE 24 HD11 ILE 24 -7.510 -5.081 -2.671 189 2HD1 ILE 24 HD12 ILE 24 -7.876 -3.929 -1.388 190 3HD1 ILE 24 HD13 ILE 24 -8.548 -3.692 -3.006 191 H LEU 25 H LEU 25 -4.339 0.871 -3.769 192 HA LEU 25 HA LEU 25 -5.776 3.059 -2.301 193 1HB LEU 25 HB2 LEU 25 -3.045 3.000 -3.567 194 2HB LEU 25 HB3 LEU 25 -3.973 4.463 -3.323 195 HG LEU 25 HG LEU 25 -3.558 4.686 -1.204 196 1HD1 LEU 25 HD11 LEU 25 -4.700 2.796 -0.443 197 2HD1 LEU 25 HD12 LEU 25 -3.373 1.714 -0.926 198 3HD1 LEU 25 HD13 LEU 25 -3.150 2.888 0.409 199 1HD2 LEU 25 HD21 LEU 25 -1.366 4.577 -2.313 200 2HD2 LEU 25 HD22 LEU 25 -1.245 4.006 -0.639 201 3HD2 LEU 25 HD23 LEU 25 -1.249 2.836 -1.962 202 H HIS 26 H HIS 26 -7.511 3.490 -3.555 203 HA HIS 26 HA HIS 26 -8.802 3.950 -5.370 204 1HB HIS 26 HB2 HIS 26 -6.230 4.840 -6.713 205 2HB HIS 26 HB3 HIS 26 -7.875 5.337 -7.118 206 HD1 HIS 26 HD1 HIS 26 -9.043 7.097 -5.355 207 HD2 HIS 26 HD2 HIS 26 -5.053 5.978 -4.639 208 HE1 HIS 26 HE1 HIS 26 -8.143 8.708 -3.603 209 H TYR 27 H TYR 27 -8.355 1.337 -5.216 210 HA TYR 27 HA TYR 27 -8.462 -0.632 -6.303 211 1HB TYR 27 HB2 TYR 27 -8.848 0.869 -8.898 212 2HB TYR 27 HB3 TYR 27 -9.391 -0.749 -8.475 213 HD1 TYR 27 HD1 TYR 27 -10.745 2.164 -9.343 214 HD2 TYR 27 HD2 TYR 27 -10.809 -0.506 -5.954 215 HE1 TYR 27 HE1 TYR 27 -13.150 2.647 -8.994 216 HE2 TYR 27 HE2 TYR 27 -13.222 -0.087 -5.671 217 HH TYR 27 HH TYR 27 -15.111 0.913 -6.581 218 H LYS 28 H LYS 28 -5.762 1.143 -6.494 219 HA LYS 28 HA LYS 28 -4.400 -0.642 -8.473 220 1HB LYS 28 HB2 LYS 28 -3.688 2.076 -7.349 221 2HB LYS 28 HB3 LYS 28 -2.614 1.094 -8.336 222 1HG LYS 28 HG2 LYS 28 -5.242 1.325 -9.605 223 2HG LYS 28 HG3 LYS 28 -4.660 2.925 -9.133 224 1HD LYS 28 HD2 LYS 28 -2.533 2.525 -10.386 225 2HD LYS 28 HD3 LYS 28 -3.037 0.866 -10.717 226 1HE LYS 28 HE2 LYS 28 -3.442 2.131 -12.712 227 2HE LYS 28 HE3 LYS 28 -4.993 1.661 -12.005 228 1HZ LYS 28 HZ1 LYS 28 -3.763 4.314 -11.732 229 2HZ LYS 28 HZ2 LYS 28 -4.999 3.910 -12.744 230 3HZ LYS 28 HZ3 LYS 28 -5.224 3.849 -11.116 231 H VAL 29 H VAL 29 -2.982 -2.153 -7.656 232 HA VAL 29 HA VAL 29 -2.758 -2.281 -4.743 233 HB VAL 29 HB VAL 29 -1.764 -4.325 -6.722 234 1HG1 VAL 29 HG11 VAL 29 -2.854 -4.612 -3.887 235 2HG1 VAL 29 HG12 VAL 29 -1.991 -5.828 -4.858 236 3HG1 VAL 29 HG13 VAL 29 -1.132 -4.415 -4.229 237 1HG2 VAL 29 HG21 VAL 29 -4.575 -3.954 -5.620 238 2HG2 VAL 29 HG22 VAL 29 -4.070 -4.009 -7.323 239 3HG2 VAL 29 HG23 VAL 29 -3.970 -5.463 -6.336 240 H TYR 30 H TYR 30 -0.911 -1.926 -3.656 241 HA TYR 30 HA TYR 30 1.609 -1.332 -5.172 242 1HB TYR 30 HB2 TYR 30 0.446 -0.090 -2.654 243 2HB TYR 30 HB3 TYR 30 2.053 0.250 -3.269 244 HD1 TYR 30 HD1 TYR 30 2.321 1.407 -5.486 245 HD2 TYR 30 HD2 TYR 30 -1.569 0.739 -3.789 246 HE1 TYR 30 HE1 TYR 30 1.311 2.973 -7.151 247 HE2 TYR 30 HE2 TYR 30 -2.556 2.230 -5.489 248 HH TYR 30 HH TYR 30 -2.158 3.757 -7.132 249 H ASP 31 H ASP 31 3.349 -2.567 -4.584 250 HA ASP 31 HA ASP 31 3.262 -4.047 -1.970 251 1HB ASP 31 HB2 ASP 31 3.783 -5.471 -3.948 252 2HB ASP 31 HB3 ASP 31 5.205 -4.471 -4.271 253 H LEU 32 H LEU 32 4.224 -2.894 -0.400 254 HA LEU 32 HA LEU 32 6.583 -1.207 -1.079 255 1HB LEU 32 HB2 LEU 32 4.661 -0.603 1.127 256 2HB LEU 32 HB3 LEU 32 5.883 0.454 0.513 257 HG LEU 32 HG LEU 32 3.937 -0.237 -1.621 258 1HD1 LEU 32 HD11 LEU 32 2.491 -0.239 0.451 259 2HD1 LEU 32 HD12 LEU 32 2.934 1.472 0.652 260 3HD1 LEU 32 HD13 LEU 32 2.065 0.916 -0.803 261 1HD2 LEU 32 HD21 LEU 32 4.204 2.035 -2.182 262 2HD2 LEU 32 HD22 LEU 32 4.847 2.449 -0.571 263 3HD2 LEU 32 HD23 LEU 32 5.795 1.450 -1.687 264 H THR 33 H THR 33 6.189 -4.070 -0.217 265 HA THR 33 HA THR 33 6.574 -4.257 2.583 266 HB THR 33 HB THR 33 5.767 -5.937 0.750 267 HG1 THR 33 HG1 THR 33 7.227 -6.801 3.002 268 1HG2 THR 33 HG21 THR 33 8.634 -6.912 1.085 269 2HG2 THR 33 HG22 THR 33 7.299 -7.735 0.258 270 3HG2 THR 33 HG23 THR 33 7.939 -6.226 -0.403 271 H LYS 34 H LYS 34 8.851 -3.824 -0.075 272 HA LYS 34 HA LYS 34 11.167 -4.025 1.757 273 1HB LYS 34 HB2 LYS 34 11.126 -5.032 -0.615 274 2HB LYS 34 HB3 LYS 34 11.140 -3.368 -1.206 275 1HG LYS 34 HG2 LYS 34 13.186 -3.522 0.779 276 2HG LYS 34 HG3 LYS 34 13.272 -5.049 -0.052 277 1HD LYS 34 HD2 LYS 34 14.238 -4.153 -1.884 278 2HD LYS 34 HD3 LYS 34 13.112 -2.804 -1.993 279 1HE LYS 34 HE2 LYS 34 15.404 -2.907 0.020 280 2HE LYS 34 HE3 LYS 34 15.562 -2.180 -1.583 281 1HZ LYS 34 HZ1 LYS 34 13.487 -1.277 0.311 282 2HZ LYS 34 HZ2 LYS 34 14.961 -0.638 0.343 283 3HZ LYS 34 HZ3 LYS 34 14.034 -0.470 -0.976 284 H PHE 35 H PHE 35 8.904 -1.812 1.709 285 HA PHE 35 HA PHE 35 10.796 0.491 1.644 286 1HB PHE 35 HB2 PHE 35 8.897 0.161 -0.263 287 2HB PHE 35 HB3 PHE 35 7.910 0.803 0.983 288 HD1 PHE 35 HD1 PHE 35 11.351 1.640 -0.272 289 HD2 PHE 35 HD2 PHE 35 7.416 3.090 0.711 290 HE1 PHE 35 HE1 PHE 35 12.138 3.956 -0.583 291 HE2 PHE 35 HE2 PHE 35 8.180 5.413 0.309 292 HZ PHE 35 HZ PHE 35 10.551 5.859 -0.309 293 H LEU 36 H LEU 36 9.401 -1.442 3.734 294 HA LEU 36 HA LEU 36 7.489 0.154 5.114 295 1HB LEU 36 HB2 LEU 36 9.271 -2.134 6.058 296 2HB LEU 36 HB3 LEU 36 7.897 -1.500 6.969 297 HG LEU 36 HG LEU 36 7.658 -2.660 4.154 298 1HD1 LEU 36 HD11 LEU 36 7.109 -3.891 6.879 299 2HD1 LEU 36 HD12 LEU 36 6.753 -4.641 5.301 300 3HD1 LEU 36 HD13 LEU 36 8.432 -4.356 5.785 301 1HD2 LEU 36 HD21 LEU 36 5.272 -2.836 4.813 302 2HD2 LEU 36 HD22 LEU 36 5.611 -1.827 6.242 303 3HD2 LEU 36 HD23 LEU 36 5.813 -1.178 4.599 304 H GLU 37 H GLU 37 10.830 -0.608 6.101 305 HA GLU 37 HA GLU 37 11.042 1.379 8.124 306 1HB GLU 37 HB2 GLU 37 13.460 0.808 7.972 307 2HB GLU 37 HB3 GLU 37 12.410 -0.606 8.044 308 1HG GLU 37 HG2 GLU 37 12.638 -0.569 5.370 309 2HG GLU 37 HG3 GLU 37 14.057 0.413 5.733 310 H GLU 38 H GLU 38 11.647 1.392 4.662 311 HA GLU 38 HA GLU 38 13.128 3.823 4.520 312 1HB GLU 38 HB2 GLU 38 11.571 2.347 2.390 313 2HB GLU 38 HB3 GLU 38 12.844 3.506 2.088 314 1HG GLU 38 HG2 GLU 38 14.373 2.013 3.520 315 2HG GLU 38 HG3 GLU 38 13.131 0.764 3.401 316 H HIS 39 HN HIS 39 9.692 3.053 4.144 317 HA HIS 39 HA HIS 39 8.722 5.486 3.150 318 1HB HIS 39 HB2 HIS 39 7.341 3.555 3.144 319 2HB HIS 39 HB3 HIS 39 7.482 3.359 4.894 320 HD1 HIS 39 HND HIS 39 5.388 4.133 6.162 321 HD2 HIS 39 HD HIS 39 5.955 5.998 2.424 322 HE1 HIS 39 HE HIS 39 3.343 5.529 5.743 323 HA PRO 40 HA PRO 40 9.487 7.784 7.030 324 1HB PRO 40 HB2 PRO 40 9.276 10.319 6.124 325 2HB PRO 40 HB3 PRO 40 10.626 9.264 5.622 326 1HG PRO 40 HG2 PRO 40 8.050 9.772 4.112 327 2HG PRO 40 HG3 PRO 40 9.718 9.927 3.486 328 1HD PRO 40 HD2 PRO 40 8.188 7.680 3.150 329 2HD PRO 40 HD3 PRO 40 9.962 7.582 3.369 330 H GLY 41 H GLY 41 7.299 6.487 7.326 331 1HA GLY 41 HA1 GLY 41 5.362 8.327 8.444 332 2HA GLY 41 HA2 GLY 41 4.831 7.684 6.873 333 H GLY 42 H GLY 42 6.696 5.990 9.401 334 1HA GLY 42 HA1 GLY 42 6.070 4.361 10.881 335 2HA GLY 42 HA2 GLY 42 4.382 4.613 10.463 336 H GLU 43 H GLU 43 6.880 2.486 10.359 337 HA GLU 43 HA GLU 43 6.250 0.873 8.016 338 1HB GLU 43 HB2 GLU 43 7.641 -0.769 9.043 339 2HB GLU 43 HB3 GLU 43 8.466 0.787 9.134 340 1HG GLU 43 HG2 GLU 43 7.106 -0.700 11.439 341 2HG GLU 43 HG3 GLU 43 8.825 -0.589 11.110 342 H ALA 44 H ALA 44 5.543 1.040 11.486 343 HA ALA 44 HA ALA 44 3.701 -1.064 11.768 344 1HB ALA 44 HB1 ALA 44 3.741 1.645 13.170 345 2HB ALA 44 HB2 ALA 44 2.877 0.195 13.728 346 3HB ALA 44 HB3 ALA 44 4.651 0.197 13.647 347 H VAL 45 H VAL 45 3.080 2.357 10.923 348 HA VAL 45 HA VAL 45 0.267 2.183 10.584 349 HB VAL 45 HB VAL 45 2.408 4.023 9.476 350 1HG1 VAL 45 HG11 VAL 45 0.712 4.183 7.833 351 2HG1 VAL 45 HG12 VAL 45 -0.585 4.225 9.065 352 3HG1 VAL 45 HG13 VAL 45 0.541 5.583 8.896 353 1HG2 VAL 45 HG21 VAL 45 1.460 5.604 11.107 354 2HG2 VAL 45 HG22 VAL 45 0.225 4.416 11.571 355 3HG2 VAL 45 HG23 VAL 45 1.937 4.112 11.930 356 H LEU 46 H LEU 46 2.893 1.944 8.074 357 HA LEU 46 HA LEU 46 1.132 1.227 5.992 358 1HB LEU 46 HB2 LEU 46 4.059 0.903 6.515 359 2HB LEU 46 HB3 LEU 46 3.386 -0.246 5.363 360 HG LEU 46 HG LEU 46 3.070 2.764 5.101 361 1HD1 LEU 46 HD11 LEU 46 4.916 0.820 3.624 362 2HD1 LEU 46 HD12 LEU 46 4.768 2.558 3.319 363 3HD1 LEU 46 HD13 LEU 46 5.441 1.978 4.859 364 1HD2 LEU 46 HD21 LEU 46 2.419 2.205 2.772 365 2HD2 LEU 46 HD22 LEU 46 2.519 0.472 3.151 366 3HD2 LEU 46 HD23 LEU 46 1.277 1.491 3.900 367 H ARG 47 H ARG 47 2.520 -0.801 8.550 368 HA ARG 47 HA ARG 47 1.742 -3.309 7.396 369 1HB ARG 47 HB2 ARG 47 2.987 -2.389 9.889 370 2HB ARG 47 HB3 ARG 47 1.734 -3.580 10.224 371 1HG ARG 47 HG2 ARG 47 3.794 -4.758 9.878 372 2HG ARG 47 HG3 ARG 47 2.691 -5.076 8.535 373 1HD ARG 47 HD2 ARG 47 3.985 -3.032 7.398 374 2HD ARG 47 HD3 ARG 47 5.254 -3.470 8.516 375 HE ARG 47 HE ARG 47 4.417 -4.849 6.090 376 1HH1 ARG 47 HH11 ARG 47 5.922 -7.911 6.640 377 2HH1 ARG 47 HH12 ARG 47 5.032 -6.840 5.555 378 1HH2 ARG 47 HH21 ARG 47 6.137 -7.132 8.937 379 2HH2 ARG 47 HH22 ARG 47 5.865 -5.445 9.238 380 H ALA 48 H ALA 48 0.234 -1.084 9.733 381 HA ALA 48 HA ALA 48 -2.059 -2.581 10.391 382 1HB ALA 48 HB1 ALA 48 -1.205 -0.594 11.588 383 2HB ALA 48 HB2 ALA 48 -1.665 0.436 10.226 384 3HB ALA 48 HB3 ALA 48 -2.926 -0.405 11.161 385 H GLN 49 H GLN 49 -1.516 -0.198 7.758 386 HA GLN 49 HA GLN 49 -4.185 -0.545 6.632 387 1HB GLN 49 HB2 GLN 49 -1.633 0.943 6.033 388 2HB GLN 49 HB3 GLN 49 -2.823 0.760 4.750 389 1HG GLN 49 HG2 GLN 49 -3.250 2.833 5.884 390 2HG GLN 49 HG3 GLN 49 -4.597 1.724 6.121 391 1HE2 GLN 49 HE21 GLN 49 -4.865 0.713 8.291 392 2HE2 GLN 49 HE22 GLN 49 -4.213 1.578 9.670 393 H ALA 50 H ALA 50 -1.374 -2.474 6.465 394 HA ALA 50 HA ALA 50 -1.442 -3.284 3.778 395 1HB ALA 50 HB1 ALA 50 -0.806 -5.131 6.093 396 2HB ALA 50 HB2 ALA 50 -0.156 -5.160 4.436 397 3HB ALA 50 HB3 ALA 50 0.265 -3.826 5.541 398 H GLY 51 H GLY 51 -2.463 -4.976 2.684 399 1HA GLY 51 HA1 GLY 51 -3.630 -7.061 2.742 400 2HA GLY 51 HA2 GLY 51 -4.678 -6.479 4.045 401 H GLY 52 H GLY 52 -5.058 -3.752 2.765 402 1HA GLY 52 HA1 GLY 52 -6.141 -3.766 0.251 403 2HA GLY 52 HA2 GLY 52 -7.391 -4.555 1.249 404 H ASP 53 H ASP 53 -8.710 -2.695 0.830 405 HA ASP 53 HA ASP 53 -8.838 -0.290 0.673 406 1HB ASP 53 HB2 ASP 53 -10.793 -1.475 1.539 407 2HB ASP 53 HB3 ASP 53 -10.143 -1.362 3.186 408 H ALA 54 H ALA 54 -6.731 0.594 0.923 409 HA ALA 54 HA ALA 54 -6.498 2.067 3.529 410 1HB ALA 54 HB1 ALA 54 -4.258 1.151 1.697 411 2HB ALA 54 HB2 ALA 54 -4.095 2.194 3.134 412 3HB ALA 54 HB3 ALA 54 -4.637 0.502 3.305 413 H THR 55 H THR 55 -7.945 2.471 0.803 414 HA THR 55 HA THR 55 -6.469 4.566 -0.527 415 HB THR 55 HB THR 55 -9.446 3.881 -0.593 416 HG1 THR 55 HG1 THR 55 -7.689 2.290 -1.299 417 1HG2 THR 55 HG21 THR 55 -7.645 5.484 -2.461 418 2HG2 THR 55 HG22 THR 55 -9.327 5.025 -2.818 419 3HG2 THR 55 HG23 THR 55 -8.976 6.148 -1.490 420 H ALA 56 H ALA 56 -9.261 4.560 1.748 421 HA ALA 56 HA ALA 56 -9.435 7.349 2.119 422 1HB ALA 56 HB1 ALA 56 -10.031 5.101 4.097 423 2HB ALA 56 HB2 ALA 56 -10.588 6.784 4.229 424 3HB ALA 56 HB3 ALA 56 -11.149 5.767 2.887 425 H ASN 57 H ASN 57 -7.600 4.937 4.025 426 HA ASN 57 HA ASN 57 -6.435 6.695 5.889 427 1HB ASN 57 HB2 ASN 57 -5.441 4.037 4.768 428 2HB ASN 57 HB3 ASN 57 -4.676 4.906 6.101 429 1HD2 ASN 57 HD21 ASN 57 -7.319 2.716 5.318 430 2HD2 ASN 57 HD22 ASN 57 -7.989 2.742 6.926 431 H PHE 58 H PHE 58 -5.081 5.549 2.753 432 HA PHE 58 HA PHE 58 -2.681 7.024 2.799 433 1HB PHE 58 HB2 PHE 58 -3.154 5.290 1.170 434 2HB PHE 58 HB3 PHE 58 -4.484 6.218 0.490 435 HD1 PHE 58 HD1 PHE 58 -4.107 7.975 -1.151 436 HD2 PHE 58 HD2 PHE 58 -0.782 6.195 0.940 437 HE1 PHE 58 HE1 PHE 58 -2.559 9.045 -2.713 438 HE2 PHE 58 HE2 PHE 58 0.786 7.239 -0.679 439 HZ PHE 58 HZ PHE 58 -0.097 8.646 -2.528 440 H GLU 59 H GLU 59 -5.840 7.959 1.305 441 HA GLU 59 HA GLU 59 -5.045 10.547 0.507 442 1HB GLU 59 HB2 GLU 59 -7.762 9.406 1.218 443 2HB GLU 59 HB3 GLU 59 -7.527 10.986 0.452 444 1HG GLU 59 HG2 GLU 59 -6.504 8.397 -0.806 445 2HG GLU 59 HG3 GLU 59 -8.090 9.097 -1.126 446 H ALA 60 H ALA 60 -6.425 9.414 3.592 447 HA ALA 60 HA ALA 60 -6.963 11.880 4.792 448 1HB ALA 60 HB1 ALA 60 -7.616 9.672 5.713 449 2HB ALA 60 HB2 ALA 60 -5.929 9.349 6.141 450 3HB ALA 60 HB3 ALA 60 -6.796 10.684 6.919 451 H VAL 61 H VAL 61 -3.831 10.260 4.358 452 HA VAL 61 HA VAL 61 -2.371 12.154 6.060 453 HB VAL 61 HB VAL 61 -1.570 9.936 4.163 454 1HG1 VAL 61 HG11 VAL 61 0.320 11.466 4.143 455 2HG1 VAL 61 HG12 VAL 61 0.233 11.650 5.915 456 3HG1 VAL 61 HG13 VAL 61 0.693 10.107 5.173 457 1HG2 VAL 61 HG21 VAL 61 -0.982 8.739 6.206 458 2HG2 VAL 61 HG22 VAL 61 -1.466 10.132 7.195 459 3HG2 VAL 61 HG23 VAL 61 -2.677 9.222 6.269 460 H GLY 62 H GLY 62 -3.692 12.337 2.883 461 1HA GLY 62 HA1 GLY 62 -3.572 14.142 1.465 462 2HA GLY 62 HA2 GLY 62 -2.150 14.781 2.299 463 H HIS 63 HN HIS 63 -0.199 13.209 2.167 464 HA HIS 63 HA HIS 63 1.479 12.361 0.937 465 1HB HIS 63 HB2 HIS 63 -0.801 10.901 -0.417 466 2HB HIS 63 HB3 HIS 63 0.867 10.719 -0.933 467 HD1 HIS 63 HND HIS 63 -1.428 9.572 1.851 468 HD2 HIS 63 HD HIS 63 2.649 9.676 0.802 469 HE1 HIS 63 HE HIS 63 -0.251 7.904 3.352 470 H SER 64 H SER 64 2.705 13.745 -0.073 471 HA SER 64 HA SER 64 1.822 15.740 -1.829 472 1HB SER 64 HB2 SER 64 4.639 14.607 -1.493 473 2HB SER 64 HB3 SER 64 4.221 16.213 -2.122 474 HG SER 64 HG SER 64 3.890 15.165 0.486 475 H THR 65 H THR 65 2.797 16.170 -4.058 476 HA THR 65 HA THR 65 1.925 14.453 -6.068 477 HB THR 65 HB THR 65 3.925 15.853 -7.264 478 HG1 THR 65 HG1 THR 65 5.036 16.659 -5.477 479 1HG2 THR 65 HG21 THR 65 1.516 16.359 -7.524 480 2HG2 THR 65 HG22 THR 65 1.516 17.199 -5.956 481 3HG2 THR 65 HG23 THR 65 2.464 17.844 -7.311 482 H ASP 66 H ASP 66 5.268 14.962 -4.967 483 HA ASP 66 HA ASP 66 6.608 13.041 -6.277 484 1HB ASP 66 HB2 ASP 66 6.831 14.025 -3.362 485 2HB ASP 66 HB3 ASP 66 8.120 13.294 -4.297 486 H ALA 67 H ALA 67 4.887 12.622 -3.184 487 HA ALA 67 HA ALA 67 5.444 9.847 -2.868 488 1HB ALA 67 HB1 ALA 67 3.000 11.324 -1.843 489 2HB ALA 67 HB2 ALA 67 3.648 9.780 -1.280 490 3HB ALA 67 HB3 ALA 67 4.581 11.274 -1.043 491 H ARG 68 H ARG 68 2.625 11.476 -4.471 492 HA ARG 68 HA ARG 68 1.388 8.900 -5.074 493 1HB ARG 68 HB2 ARG 68 -0.345 10.165 -6.126 494 2HB ARG 68 HB3 ARG 68 0.072 10.782 -4.507 495 1HG ARG 68 HG2 ARG 68 -0.360 12.708 -5.632 496 2HG ARG 68 HG3 ARG 68 1.361 12.535 -5.603 497 1HD ARG 68 HD2 ARG 68 1.106 13.143 -7.804 498 2HD ARG 68 HD3 ARG 68 0.869 11.415 -8.050 499 HE ARG 68 HE ARG 68 -1.644 12.427 -7.410 500 1HH1 ARG 68 HH11 ARG 68 -2.618 13.985 -10.417 501 2HH1 ARG 68 HH12 ARG 68 -3.116 13.517 -8.823 502 1HH2 ARG 68 HH21 ARG 68 -0.352 13.655 -11.087 503 2HH2 ARG 68 HH22 ARG 68 0.693 12.732 -10.053 504 H GLU 69 H GLU 69 3.779 10.789 -6.584 505 HA GLU 69 HA GLU 69 3.664 9.270 -9.097 506 1HB GLU 69 HB2 GLU 69 5.586 11.219 -7.888 507 2HB GLU 69 HB3 GLU 69 5.808 10.500 -9.475 508 1HG GLU 69 HG2 GLU 69 3.602 12.411 -8.578 509 2HG GLU 69 HG3 GLU 69 4.814 12.663 -9.811 510 H LEU 70 H LEU 70 5.790 9.385 -6.278 511 HA LEU 70 HA LEU 70 7.489 7.335 -6.794 512 1HB LEU 70 HB2 LEU 70 7.676 8.878 -4.954 513 2HB LEU 70 HB3 LEU 70 6.267 8.165 -4.174 514 HG LEU 70 HG LEU 70 7.321 6.372 -3.333 515 1HD1 LEU 70 HD11 LEU 70 8.179 5.466 -5.228 516 2HD1 LEU 70 HD12 LEU 70 9.314 6.809 -5.528 517 3HD1 LEU 70 HD13 LEU 70 9.603 5.661 -4.181 518 1HD2 LEU 70 HD21 LEU 70 9.517 8.487 -3.465 519 2HD2 LEU 70 HD22 LEU 70 8.158 8.498 -2.320 520 3HD2 LEU 70 HD23 LEU 70 9.364 7.197 -2.256 521 H SER 71 H SER 71 4.514 7.012 -5.013 522 HA SER 71 HA SER 71 3.963 4.373 -4.670 523 1HB SER 71 HB2 SER 71 1.609 4.875 -5.146 524 2HB SER 71 HB3 SER 71 2.394 6.191 -4.246 525 HG SER 71 HG SER 71 1.659 6.134 -6.966 526 H LYS 72 H LYS 72 3.878 5.900 -7.948 527 HA LYS 72 HA LYS 72 2.733 3.635 -9.235 528 1HB LYS 72 HB2 LYS 72 4.492 5.767 -10.473 529 2HB LYS 72 HB3 LYS 72 3.445 4.615 -11.315 530 1HG LYS 72 HG2 LYS 72 1.479 5.551 -9.990 531 2HG LYS 72 HG3 LYS 72 2.575 6.816 -9.402 532 1HD LYS 72 HD2 LYS 72 3.058 7.395 -11.839 533 2HD LYS 72 HD3 LYS 72 1.820 6.224 -12.305 534 1HE LYS 72 HE2 LYS 72 0.842 8.433 -12.333 535 2HE LYS 72 HE3 LYS 72 0.115 7.552 -10.975 536 1HZ LYS 72 HZ1 LYS 72 1.537 8.801 -9.474 537 2HZ LYS 72 HZ2 LYS 72 2.429 9.352 -10.754 538 3HZ LYS 72 HZ3 LYS 72 0.982 9.941 -10.525 539 H THR 73 H THR 73 6.082 4.409 -8.354 540 HA THR 73 HA THR 73 7.387 2.415 -9.930 541 HB THR 73 HB THR 73 8.283 3.654 -7.291 542 HG1 THR 73 HG1 THR 73 8.300 4.694 -9.930 543 1HG2 THR 73 HG21 THR 73 10.532 3.545 -8.323 544 2HG2 THR 73 HG22 THR 73 9.829 1.940 -8.089 545 3HG2 THR 73 HG23 THR 73 9.853 2.670 -9.713 546 H PHE 74 H PHE 74 5.324 2.159 -7.201 547 HA PHE 74 HA PHE 74 6.400 -0.514 -6.405 548 1HB PHE 74 HB2 PHE 74 4.745 1.541 -4.878 549 2HB PHE 74 HB3 PHE 74 5.093 -0.081 -4.318 550 HD1 PHE 74 HD1 PHE 74 6.270 3.300 -4.289 551 HD2 PHE 74 HD2 PHE 74 7.582 -0.812 -4.186 552 HE1 PHE 74 HE1 PHE 74 8.319 3.966 -3.045 553 HE2 PHE 74 HE2 PHE 74 9.703 -0.104 -3.112 554 HZ PHE 74 HZ PHE 74 10.052 2.280 -2.534 555 H ILE 75 H ILE 75 4.199 0.907 -8.446 556 HA ILE 75 HA ILE 75 1.839 -0.519 -7.624 557 HB ILE 75 HB ILE 75 2.244 1.558 -9.230 558 1HG1 ILE 75 HG12 ILE 75 0.124 0.822 -8.251 559 2HG1 ILE 75 HG13 ILE 75 -0.006 1.512 -9.867 560 1HG2 ILE 75 HG21 ILE 75 1.794 1.038 -11.582 561 2HG2 ILE 75 HG22 ILE 75 3.333 0.326 -11.070 562 3HG2 ILE 75 HG23 ILE 75 1.906 -0.702 -11.240 563 1HD1 ILE 75 HD11 ILE 75 -0.272 -0.706 -10.842 564 2HD1 ILE 75 HD12 ILE 75 0.073 -1.415 -9.243 565 3HD1 ILE 75 HD13 ILE 75 -1.415 -0.491 -9.503 566 H ILE 76 H ILE 76 1.405 -2.607 -7.912 567 HA ILE 76 HA ILE 76 3.314 -4.282 -9.550 568 HB ILE 76 HB ILE 76 2.471 -6.136 -8.091 569 1HG1 ILE 76 HG12 ILE 76 1.544 -3.934 -6.184 570 2HG1 ILE 76 HG13 ILE 76 0.428 -4.728 -7.291 571 1HG2 ILE 76 HG21 ILE 76 3.944 -3.888 -6.653 572 2HG2 ILE 76 HG22 ILE 76 4.051 -5.628 -6.315 573 3HG2 ILE 76 HG23 ILE 76 4.677 -4.991 -7.832 574 1HD1 ILE 76 HD11 ILE 76 0.953 -6.907 -6.346 575 2HD1 ILE 76 HD12 ILE 76 2.137 -6.158 -5.253 576 3HD1 ILE 76 HD13 ILE 76 0.422 -5.770 -5.091 577 H GLY 77 H GLY 77 -0.029 -3.309 -9.180 578 1HA GLY 77 HA1 GLY 77 -0.968 -3.963 -11.663 579 2HA GLY 77 HA2 GLY 77 -1.175 -5.436 -10.685 580 H GLU 78 H GLU 78 -3.453 -4.934 -11.026 581 HA GLU 78 HA GLU 78 -4.522 -2.655 -9.434 582 1HB GLU 78 HB2 GLU 78 -5.200 -3.641 -12.226 583 2HB GLU 78 HB3 GLU 78 -6.271 -2.610 -11.272 584 1HG GLU 78 HG2 GLU 78 -4.506 -0.908 -11.100 585 2HG GLU 78 HG3 GLU 78 -3.420 -1.910 -12.084 586 H LEU 79 H LEU 79 -6.747 -2.898 -8.840 587 HA LEU 79 HA LEU 79 -7.192 -5.374 -7.495 588 1HB LEU 79 HB2 LEU 79 -7.995 -3.205 -6.678 589 2HB LEU 79 HB3 LEU 79 -8.980 -3.011 -8.140 590 HG LEU 79 HG LEU 79 -10.343 -4.996 -7.492 591 1HD1 LEU 79 HD11 LEU 79 -10.136 -5.766 -5.085 592 2HD1 LEU 79 HD12 LEU 79 -8.796 -6.293 -6.110 593 3HD1 LEU 79 HD13 LEU 79 -8.576 -4.918 -5.011 594 1HD2 LEU 79 HD21 LEU 79 -10.896 -2.666 -6.928 595 2HD2 LEU 79 HD22 LEU 79 -11.547 -3.860 -5.808 596 3HD2 LEU 79 HD23 LEU 79 -10.131 -2.893 -5.330 597 H HIS 80 H HIS 80 -8.313 -7.146 -8.152 598 HA HIS 80 HA HIS 80 -8.932 -7.666 -10.823 599 1HB HIS 80 HB2 HIS 80 -8.664 -9.258 -8.824 600 2HB HIS 80 HB3 HIS 80 -10.383 -9.022 -8.527 601 HD1 HIS 80 HD1 HIS 80 -11.956 -10.418 -10.215 602 HD2 HIS 80 HD2 HIS 80 -7.838 -10.523 -11.039 603 HE1 HIS 80 HE1 HIS 80 -11.646 -12.126 -12.046 604 HA PRO 81 HA PRO 81 -12.661 -5.337 -11.367 605 1HB PRO 81 HB2 PRO 81 -13.681 -6.491 -13.640 606 2HB PRO 81 HB3 PRO 81 -12.273 -5.389 -13.609 607 1HG PRO 81 HG2 PRO 81 -12.234 -8.425 -13.589 608 2HG PRO 81 HG3 PRO 81 -11.309 -7.332 -14.665 609 1HD PRO 81 HD2 PRO 81 -10.205 -8.399 -12.480 610 2HD PRO 81 HD3 PRO 81 -9.870 -6.688 -12.882 611 H ASP 82 H ASP 82 -12.586 -8.623 -10.429 612 HA ASP 82 HA ASP 82 -15.453 -9.150 -10.448 613 1HB ASP 82 HB2 ASP 82 -13.796 -10.976 -10.427 614 2HB ASP 82 HB3 ASP 82 -13.226 -10.428 -8.807 615 H ASP 83 H ASP 83 -13.099 -7.674 -8.237 616 HA ASP 83 HA ASP 83 -14.790 -7.635 -5.894 617 1HB ASP 83 HB2 ASP 83 -12.361 -7.566 -5.774 618 2HB ASP 83 HB3 ASP 83 -12.333 -6.045 -6.678 619 H ARG 84 H ARG 84 -14.104 -5.462 -8.528 620 HA ARG 84 HA ARG 84 -14.822 -3.033 -7.548 621 1HB ARG 84 HB2 ARG 84 -14.012 -4.060 -10.033 622 2HB ARG 84 HB3 ARG 84 -15.595 -3.396 -10.394 623 1HG ARG 84 HG2 ARG 84 -14.121 -1.621 -10.804 624 2HG ARG 84 HG3 ARG 84 -14.812 -1.255 -9.220 625 1HD ARG 84 HD2 ARG 84 -12.429 -0.870 -9.040 626 2HD ARG 84 HD3 ARG 84 -12.799 -2.326 -8.142 627 HE ARG 84 HE ARG 84 -11.528 -3.594 -9.583 628 1HH1 ARG 84 HH11 ARG 84 -9.575 -2.533 -12.342 629 2HH1 ARG 84 HH12 ARG 84 -9.735 -3.723 -11.093 630 1HH2 ARG 84 HH21 ARG 84 -11.006 -0.635 -12.341 631 2HH2 ARG 84 HH22 ARG 84 -12.251 -0.534 -11.128 632 HHA HEM 201 HGM HEM 201 4.866 10.965 5.069 633 HHB HEM 201 HDM HEM 201 5.718 7.926 -0.548 634 HHC HEM 201 HAM HEM 201 0.917 3.886 0.897 635 HHD HEM 201 HBM HEM 201 0.429 6.600 6.762 636 1HMA HEM 201 HM81 HEM 201 7.485 11.150 0.437 637 2HMA HEM 201 HM82 HEM 201 7.942 9.440 0.392 638 3HMA HEM 201 HM83 HEM 201 6.647 10.066 -0.653 639 1HAA HEM 201 HAA1 HEM 201 6.760 11.780 4.013 640 2HAA HEM 201 HAA2 HEM 201 7.335 12.047 2.383 641 1HBA HEM 201 HBA1 HEM 201 5.947 13.910 3.165 642 2HBA HEM 201 HBA2 HEM 201 4.582 12.819 3.430 643 1HMB HEM 201 HM11 HEM 201 5.895 5.726 -1.753 644 2HMB HEM 201 HM12 HEM 201 4.636 4.884 -2.640 645 3HMB HEM 201 HM13 HEM 201 4.733 6.655 -2.725 646 HAB HEM 201 HT2A HEM 201 2.370 3.004 -1.244 647 1HBB HEM 201 HV2C HEM 201 1.048 5.409 -2.510 648 2HBB HEM 201 HV2T HEM 201 0.901 3.601 -2.975 649 1HMC HEM 201 HM31 HEM 201 -1.081 2.456 3.757 650 2HMC HEM 201 HM32 HEM 201 -1.933 3.608 2.714 651 3HMC HEM 201 HM33 HEM 201 -0.546 2.690 2.089 652 HAC HEM 201 HT4A HEM 201 -1.009 3.678 6.348 653 1HBC HEM 201 HV4C HEM 201 -2.199 6.387 5.543 654 2HBC HEM 201 HV4T HEM 201 -2.489 5.430 7.121 655 1HMD HEM 201 HM51 HEM 201 1.788 7.634 8.853 656 2HMD HEM 201 HM52 HEM 201 1.758 9.389 9.061 657 3HMD HEM 201 HM53 HEM 201 0.391 8.581 8.288 658 1HAD HEM 201 HAD1 HEM 201 3.860 10.225 8.571 659 2HAD HEM 201 HAD2 HEM 201 4.573 11.111 7.253 660 1HBD HEM 201 HBD1 HEM 201 2.791 12.576 7.092 661 2HBD HEM 201 HBD2 HEM 201 1.697 11.498 7.964 Start of MODEL 10 1 1H ALA 3 H1 ALA 3 2.011 -3.945 -19.597 2 2H ALA 3 H2 ALA 3 3.515 -4.458 -19.244 3 3H ALA 3 H3 ALA 3 2.890 -4.736 -20.762 4 HA ALA 3 HA ALA 3 1.323 -6.269 -19.907 5 1HB ALA 3 HB1 ALA 3 4.003 -6.757 -18.512 6 2HB ALA 3 HB2 ALA 3 2.781 -7.980 -18.911 7 3HB ALA 3 HB3 ALA 3 3.664 -7.154 -20.210 8 H VAL 4 H VAL 4 -0.082 -6.823 -18.108 9 HA VAL 4 HA VAL 4 0.544 -5.749 -15.488 10 HB VAL 4 HB VAL 4 -0.333 -3.802 -16.828 11 1HG1 VAL 4 HG11 VAL 4 -2.689 -3.646 -17.396 12 2HG1 VAL 4 HG12 VAL 4 -1.986 -5.032 -18.248 13 3HG1 VAL 4 HG13 VAL 4 -2.999 -5.287 -16.811 14 1HG2 VAL 4 HG21 VAL 4 -0.583 -4.098 -14.295 15 2HG2 VAL 4 HG22 VAL 4 -1.610 -2.904 -15.102 16 3HG2 VAL 4 HG23 VAL 4 -2.292 -4.469 -14.622 17 H LYS 5 H LYS 5 -1.066 -6.483 -13.919 18 HA LYS 5 HA LYS 5 -2.968 -8.511 -14.767 19 1HB LYS 5 HB2 LYS 5 -2.183 -10.144 -13.133 20 2HB LYS 5 HB3 LYS 5 -0.967 -9.897 -14.381 21 1HG LYS 5 HG2 LYS 5 -0.656 -8.152 -11.966 22 2HG LYS 5 HG3 LYS 5 -0.536 -9.866 -11.634 23 1HD LYS 5 HD2 LYS 5 1.078 -8.559 -13.863 24 2HD LYS 5 HD3 LYS 5 1.588 -8.520 -12.164 25 1HE LYS 5 HE2 LYS 5 1.401 -11.050 -12.099 26 2HE LYS 5 HE3 LYS 5 1.130 -11.034 -13.847 27 1HZ LYS 5 HZ1 LYS 5 3.314 -10.961 -14.079 28 2HZ LYS 5 HZ2 LYS 5 3.419 -9.539 -13.256 29 3HZ LYS 5 HZ3 LYS 5 3.524 -10.965 -12.450 30 H TYR 6 H TYR 6 -4.399 -8.990 -12.779 31 HA TYR 6 HA TYR 6 -4.455 -6.651 -10.988 32 1HB TYR 6 HB2 TYR 6 -6.833 -8.190 -12.093 33 2HB TYR 6 HB3 TYR 6 -6.788 -6.728 -11.104 34 HD1 TYR 6 HD1 TYR 6 -6.019 -8.084 -14.504 35 HD2 TYR 6 HD2 TYR 6 -6.873 -4.603 -12.135 36 HE1 TYR 6 HE1 TYR 6 -5.911 -6.672 -16.541 37 HE2 TYR 6 HE2 TYR 6 -6.740 -3.177 -14.163 38 HH TYR 6 HH TYR 6 -6.216 -3.113 -16.405 39 H TYR 7 H TYR 7 -5.448 -7.164 -8.866 40 HA TYR 7 HA TYR 7 -5.237 -10.066 -8.135 41 1HB TYR 7 HB2 TYR 7 -4.261 -7.732 -6.466 42 2HB TYR 7 HB3 TYR 7 -4.087 -9.450 -6.127 43 HD1 TYR 7 HD1 TYR 7 -2.861 -6.605 -8.141 44 HD2 TYR 7 HD2 TYR 7 -2.320 -10.765 -7.179 45 HE1 TYR 7 HE1 TYR 7 -0.708 -6.611 -9.370 46 HE2 TYR 7 HE2 TYR 7 -0.129 -10.751 -8.347 47 HH TYR 7 HH TYR 7 1.426 -7.821 -9.357 48 H THR 8 H THR 8 -6.776 -10.807 -6.733 49 HA THR 8 HA THR 8 -9.150 -9.169 -6.285 50 HB THR 8 HB THR 8 -9.884 -11.346 -5.178 51 HG1 THR 8 HG1 THR 8 -7.551 -11.885 -4.806 52 1HG2 THR 8 HG21 THR 8 -9.843 -10.771 -7.833 53 2HG2 THR 8 HG22 THR 8 -8.821 -12.218 -7.839 54 3HG2 THR 8 HG23 THR 8 -10.474 -12.284 -7.183 55 H LEU 9 H LEU 9 -10.003 -8.660 -4.216 56 HA LEU 9 HA LEU 9 -8.301 -7.549 -2.401 57 1HB LEU 9 HB2 LEU 9 -11.046 -7.815 -2.709 58 2HB LEU 9 HB3 LEU 9 -10.808 -8.610 -1.191 59 HG LEU 9 HG LEU 9 -9.924 -5.797 -1.947 60 1HD1 LEU 9 HD11 LEU 9 -11.912 -6.395 0.244 61 2HD1 LEU 9 HD12 LEU 9 -11.659 -4.911 -0.699 62 3HD1 LEU 9 HD13 LEU 9 -12.439 -6.316 -1.439 63 1HD2 LEU 9 HD21 LEU 9 -9.340 -5.451 0.440 64 2HD2 LEU 9 HD22 LEU 9 -9.710 -7.152 0.783 65 3HD2 LEU 9 HD23 LEU 9 -8.330 -6.725 -0.251 66 H GLU 10 H GLU 10 -9.660 -10.829 -2.332 67 HA GLU 10 HA GLU 10 -8.714 -11.700 0.134 68 1HB GLU 10 HB2 GLU 10 -10.258 -12.885 -1.506 69 2HB GLU 10 HB3 GLU 10 -8.817 -13.442 -2.352 70 1HG GLU 10 HG2 GLU 10 -9.472 -15.180 -0.824 71 2HG GLU 10 HG3 GLU 10 -7.999 -14.462 -0.176 72 H GLU 11 H GLU 11 -7.076 -12.392 -2.998 73 HA GLU 11 HA GLU 11 -4.700 -13.359 -1.939 74 1HB GLU 11 HB2 GLU 11 -5.554 -12.403 -4.572 75 2HB GLU 11 HB3 GLU 11 -3.936 -11.808 -4.222 76 1HG GLU 11 HG2 GLU 11 -3.747 -13.933 -5.329 77 2HG GLU 11 HG3 GLU 11 -3.214 -14.133 -3.655 78 H ILE 12 H ILE 12 -5.523 -9.941 -2.684 79 HA ILE 12 HA ILE 12 -3.014 -8.908 -1.835 80 HB ILE 12 HB ILE 12 -5.760 -7.575 -1.737 81 1HG1 ILE 12 HG12 ILE 12 -3.765 -7.139 -3.969 82 2HG1 ILE 12 HG13 ILE 12 -4.823 -8.535 -4.071 83 1HG2 ILE 12 HG21 ILE 12 -4.449 -5.452 -2.000 84 2HG2 ILE 12 HG22 ILE 12 -4.028 -6.281 -0.498 85 3HG2 ILE 12 HG23 ILE 12 -2.959 -6.387 -1.916 86 1HD1 ILE 12 HD11 ILE 12 -6.737 -7.282 -4.348 87 2HD1 ILE 12 HD12 ILE 12 -6.122 -5.917 -3.424 88 3HD1 ILE 12 HD13 ILE 12 -5.578 -6.189 -5.082 89 H GLN 13 H GLN 13 -6.005 -9.528 0.041 90 HA GLN 13 HA GLN 13 -5.184 -8.582 2.572 91 1HB GLN 13 HB2 GLN 13 -7.210 -10.540 1.539 92 2HB GLN 13 HB3 GLN 13 -6.790 -10.623 3.214 93 1HG GLN 13 HG2 GLN 13 -7.318 -7.842 2.277 94 2HG GLN 13 HG3 GLN 13 -8.651 -8.945 1.966 95 1HE2 GLN 13 HE21 GLN 13 -9.703 -7.312 3.506 96 2HE2 GLN 13 HE22 GLN 13 -9.633 -7.756 5.205 97 H LYS 14 H LYS 14 -4.625 -11.757 0.947 98 HA LYS 14 HA LYS 14 -3.302 -12.907 3.192 99 1HB LYS 14 HB2 LYS 14 -2.874 -13.507 0.233 100 2HB LYS 14 HB3 LYS 14 -2.295 -14.450 1.598 101 1HG LYS 14 HG2 LYS 14 -4.986 -14.170 2.225 102 2HG LYS 14 HG3 LYS 14 -5.063 -14.206 0.471 103 1HD LYS 14 HD2 LYS 14 -3.494 -16.283 2.046 104 2HD LYS 14 HD3 LYS 14 -5.243 -16.420 1.830 105 1HE LYS 14 HE2 LYS 14 -5.108 -16.577 -0.546 106 2HE LYS 14 HE3 LYS 14 -3.430 -16.031 -0.588 107 1HZ LYS 14 HZ1 LYS 14 -2.801 -18.077 0.496 108 2HZ LYS 14 HZ2 LYS 14 -4.366 -18.595 0.519 109 3HZ LYS 14 HZ3 LYS 14 -3.596 -18.364 -0.918 110 H HIS 15 H HIS 15 -2.191 -10.415 0.994 111 HA HIS 15 HA HIS 15 0.643 -10.779 1.823 112 1HB HIS 15 HB2 HIS 15 -0.563 -8.987 -0.305 113 2HB HIS 15 HB3 HIS 15 1.119 -9.045 0.166 114 HD1 HIS 15 HD1 HIS 15 2.090 -9.946 -2.072 115 HD2 HIS 15 HD2 HIS 15 -1.074 -12.226 -0.527 116 HE1 HIS 15 HE1 HIS 15 1.930 -12.051 -3.499 117 H ASN 16 H ASN 16 0.011 -10.298 4.027 118 HA ASN 16 HA ASN 16 0.435 -7.424 4.561 119 1HB ASN 16 HB2 ASN 16 -1.479 -7.063 5.884 120 2HB ASN 16 HB3 ASN 16 -2.069 -7.843 4.413 121 1HD2 ASN 16 HD21 ASN 16 -2.040 -10.421 4.699 122 2HD2 ASN 16 HD22 ASN 16 -2.666 -11.015 6.196 123 H ASN 17 H ASN 17 1.693 -10.289 5.134 124 HA ASN 17 HA ASN 17 2.642 -9.595 7.749 125 1HB ASN 17 HB2 ASN 17 0.151 -10.849 7.831 126 2HB ASN 17 HB3 ASN 17 1.220 -12.234 7.942 127 1HD2 ASN 17 HD21 ASN 17 -0.226 -12.104 10.035 128 2HD2 ASN 17 HD22 ASN 17 0.549 -11.320 11.397 129 H SER 18 H SER 18 4.676 -9.923 7.074 130 HA SER 18 HA SER 18 6.603 -11.014 6.659 131 1HB SER 18 HB2 SER 18 5.488 -12.935 8.010 132 2HB SER 18 HB3 SER 18 5.245 -13.718 6.436 133 HG SER 18 HG SER 18 7.253 -14.254 7.451 134 H LYS 19 H LYS 19 3.982 -12.543 4.767 135 HA LYS 19 HA LYS 19 5.257 -13.276 2.505 136 1HB LYS 19 HB2 LYS 19 2.755 -13.443 3.224 137 2HB LYS 19 HB3 LYS 19 2.527 -11.922 2.396 138 1HG LYS 19 HG2 LYS 19 2.243 -13.092 0.487 139 2HG LYS 19 HG3 LYS 19 3.968 -13.488 0.525 140 1HD LYS 19 HD2 LYS 19 3.258 -15.418 2.170 141 2HD LYS 19 HD3 LYS 19 1.611 -15.013 1.696 142 1HE LYS 19 HE2 LYS 19 1.962 -16.674 0.195 143 2HE LYS 19 HE3 LYS 19 2.572 -15.345 -0.795 144 1HZ LYS 19 HZ1 LYS 19 4.371 -16.880 0.957 145 2HZ LYS 19 HZ2 LYS 19 3.933 -17.478 -0.504 146 3HZ LYS 19 HZ3 LYS 19 4.742 -16.050 -0.415 147 H SER 20 H SER 20 3.539 -10.123 2.715 148 HA SER 20 HA SER 20 5.606 -8.510 1.763 149 1HB SER 20 HB2 SER 20 5.084 -9.754 -0.414 150 2HB SER 20 HB3 SER 20 3.452 -9.081 -0.333 151 HG SER 20 HG SER 20 4.575 -6.970 -0.475 152 H THR 21 H THR 21 4.842 -6.397 2.392 153 HA THR 21 HA THR 21 2.124 -6.030 3.399 154 HB THR 21 HB THR 21 4.346 -4.013 2.939 155 HG1 THR 21 HG1 THR 21 5.132 -5.625 4.194 156 1HG2 THR 21 HG21 THR 21 1.924 -3.236 3.477 157 2HG2 THR 21 HG22 THR 21 2.288 -3.898 5.099 158 3HG2 THR 21 HG23 THR 21 3.247 -2.577 4.409 159 H TRP 22 H TRP 22 0.662 -6.286 1.612 160 HA TRP 22 HA TRP 22 0.868 -4.224 -0.548 161 1HB TRP 22 HB2 TRP 22 -0.698 -6.812 -0.338 162 2HB TRP 22 HB3 TRP 22 -0.851 -5.644 -1.636 163 HD1 TRP 22 HD1 TRP 22 2.719 -6.007 -0.862 164 HE1 TRP 22 HE1 TRP 22 3.902 -7.371 -2.610 165 HE3 TRP 22 HE3 TRP 22 -1.397 -7.929 -3.175 166 HZ2 TRP 22 HZ2 TRP 22 3.141 -9.035 -4.894 167 HZ3 TRP 22 HZ3 TRP 22 -1.150 -9.456 -5.091 168 HH2 TRP 22 HH2 TRP 22 1.114 -9.963 -6.015 169 H LEU 23 H LEU 23 -1.538 -3.616 -1.254 170 HA LEU 23 HA LEU 23 -3.653 -3.543 0.587 171 1HB LEU 23 HB2 LEU 23 -3.467 -1.025 1.124 172 2HB LEU 23 HB3 LEU 23 -2.554 -2.159 2.062 173 HG LEU 23 HG LEU 23 -0.524 -1.658 0.523 174 1HD1 LEU 23 HD11 LEU 23 -1.415 -0.518 -1.359 175 2HD1 LEU 23 HD12 LEU 23 -2.462 0.475 -0.334 176 3HD1 LEU 23 HD13 LEU 23 -0.729 0.783 -0.362 177 1HD2 LEU 23 HD21 LEU 23 -0.792 -0.873 2.838 178 2HD2 LEU 23 HD22 LEU 23 0.060 0.250 1.756 179 3HD2 LEU 23 HD23 LEU 23 -1.629 0.577 2.219 180 H ILE 24 H ILE 24 -5.240 -1.738 -0.134 181 HA ILE 24 HA ILE 24 -4.964 -1.287 -3.081 182 HB ILE 24 HB ILE 24 -7.404 -1.819 -1.383 183 1HG1 ILE 24 HG12 ILE 24 -6.592 -3.260 -3.926 184 2HG1 ILE 24 HG13 ILE 24 -5.794 -3.692 -2.419 185 1HG2 ILE 24 HG21 ILE 24 -8.549 -1.679 -3.734 186 2HG2 ILE 24 HG22 ILE 24 -8.168 -0.161 -2.915 187 3HG2 ILE 24 HG23 ILE 24 -7.119 -0.758 -4.222 188 1HD1 ILE 24 HD11 ILE 24 -7.646 -4.563 -1.418 189 2HD1 ILE 24 HD12 ILE 24 -8.786 -3.506 -2.269 190 3HD1 ILE 24 HD13 ILE 24 -8.079 -4.896 -3.106 191 H LEU 25 H LEU 25 -4.735 0.712 -3.622 192 HA LEU 25 HA LEU 25 -5.811 2.996 -2.016 193 1HB LEU 25 HB2 LEU 25 -3.116 2.278 -2.966 194 2HB LEU 25 HB3 LEU 25 -3.597 3.921 -3.374 195 HG LEU 25 HG LEU 25 -3.686 4.668 -1.268 196 1HD1 LEU 25 HD11 LEU 25 -3.928 1.854 -0.566 197 2HD1 LEU 25 HD12 LEU 25 -3.185 2.918 0.660 198 3HD1 LEU 25 HD13 LEU 25 -4.797 3.258 0.016 199 1HD2 LEU 25 HD21 LEU 25 -1.311 3.224 -0.517 200 2HD2 LEU 25 HD22 LEU 25 -1.343 3.336 -2.272 201 3HD2 LEU 25 HD23 LEU 25 -1.447 4.804 -1.305 202 H HIS 26 H HIS 26 -7.640 3.133 -3.292 203 HA HIS 26 HA HIS 26 -8.886 3.905 -5.026 204 1HB HIS 26 HB2 HIS 26 -6.385 4.961 -6.367 205 2HB HIS 26 HB3 HIS 26 -8.052 5.485 -6.583 206 HD1 HIS 26 HD1 HIS 26 -9.025 7.122 -4.610 207 HD2 HIS 26 HD2 HIS 26 -5.052 5.806 -4.245 208 HE1 HIS 26 HE1 HIS 26 -7.940 8.577 -2.815 209 H TYR 27 H TYR 27 -8.715 1.404 -5.144 210 HA TYR 27 HA TYR 27 -8.827 -0.500 -6.345 211 1HB TYR 27 HB2 TYR 27 -9.120 1.364 -8.733 212 2HB TYR 27 HB3 TYR 27 -9.669 -0.301 -8.638 213 HD1 TYR 27 HD1 TYR 27 -11.078 2.673 -8.974 214 HD2 TYR 27 HD2 TYR 27 -10.999 -0.429 -5.976 215 HE1 TYR 27 HE1 TYR 27 -13.366 3.293 -8.239 216 HE2 TYR 27 HE2 TYR 27 -13.317 0.070 -5.379 217 HH TYR 27 HH TYR 27 -15.116 1.461 -5.720 218 H LYS 28 H LYS 28 -6.132 0.648 -5.938 219 HA LYS 28 HA LYS 28 -4.772 -0.775 -8.114 220 1HB LYS 28 HB2 LYS 28 -5.092 1.885 -8.124 221 2HB LYS 28 HB3 LYS 28 -3.650 1.831 -7.139 222 1HG LYS 28 HG2 LYS 28 -2.372 1.430 -8.922 223 2HG LYS 28 HG3 LYS 28 -3.336 0.084 -9.464 224 1HD LYS 28 HD2 LYS 28 -3.397 1.658 -11.218 225 2HD LYS 28 HD3 LYS 28 -5.005 1.648 -10.520 226 1HE LYS 28 HE2 LYS 28 -3.076 3.671 -9.416 227 2HE LYS 28 HE3 LYS 28 -3.626 3.913 -11.080 228 1HZ LYS 28 HZ1 LYS 28 -5.833 4.034 -10.391 229 2HZ LYS 28 HZ2 LYS 28 -5.546 3.533 -8.860 230 3HZ LYS 28 HZ3 LYS 28 -4.997 4.996 -9.352 231 H VAL 29 H VAL 29 -3.111 -2.024 -7.487 232 HA VAL 29 HA VAL 29 -2.708 -2.205 -4.589 233 HB VAL 29 HB VAL 29 -1.775 -4.206 -6.645 234 1HG1 VAL 29 HG11 VAL 29 -1.927 -5.755 -4.774 235 2HG1 VAL 29 HG12 VAL 29 -1.029 -4.344 -4.188 236 3HG1 VAL 29 HG13 VAL 29 -2.731 -4.544 -3.762 237 1HG2 VAL 29 HG21 VAL 29 -4.136 -3.915 -7.119 238 2HG2 VAL 29 HG22 VAL 29 -3.859 -5.428 -6.268 239 3HG2 VAL 29 HG23 VAL 29 -4.531 -4.029 -5.388 240 H TYR 30 H TYR 30 -0.788 -1.915 -3.603 241 HA TYR 30 HA TYR 30 1.618 -1.176 -5.224 242 1HB TYR 30 HB2 TYR 30 0.524 0.107 -2.687 243 2HB TYR 30 HB3 TYR 30 2.060 0.498 -3.446 244 HD1 TYR 30 HD1 TYR 30 2.107 1.562 -5.670 245 HD2 TYR 30 HD2 TYR 30 -1.611 0.785 -3.713 246 HE1 TYR 30 HE1 TYR 30 0.976 3.155 -7.219 247 HE2 TYR 30 HE2 TYR 30 -2.747 2.403 -5.214 248 HH TYR 30 HH TYR 30 -0.990 4.090 -7.829 249 H ASP 31 H ASP 31 3.341 -2.438 -4.682 250 HA ASP 31 HA ASP 31 3.283 -3.918 -2.080 251 1HB ASP 31 HB2 ASP 31 3.877 -5.331 -3.971 252 2HB ASP 31 HB3 ASP 31 5.139 -4.185 -4.467 253 H LEU 32 H LEU 32 4.121 -2.725 -0.467 254 HA LEU 32 HA LEU 32 6.484 -0.998 -1.039 255 1HB LEU 32 HB2 LEU 32 4.509 -0.510 1.145 256 2HB LEU 32 HB3 LEU 32 5.711 0.592 0.570 257 HG LEU 32 HG LEU 32 3.845 -0.108 -1.630 258 1HD1 LEU 32 HD11 LEU 32 2.693 1.489 0.643 259 2HD1 LEU 32 HD12 LEU 32 1.891 0.921 -0.842 260 3HD1 LEU 32 HD13 LEU 32 2.338 -0.242 0.400 261 1HD2 LEU 32 HD21 LEU 32 5.645 1.642 -1.529 262 2HD2 LEU 32 HD22 LEU 32 4.072 2.151 -2.145 263 3HD2 LEU 32 HD23 LEU 32 4.573 2.583 -0.482 264 H THR 33 H THR 33 6.095 -3.931 -0.237 265 HA THR 33 HA THR 33 6.509 -4.100 2.556 266 HB THR 33 HB THR 33 5.807 -5.849 0.790 267 HG1 THR 33 HG1 THR 33 7.549 -6.575 2.911 268 1HG2 THR 33 HG21 THR 33 7.429 -7.469 0.102 269 2HG2 THR 33 HG22 THR 33 7.874 -5.889 -0.543 270 3HG2 THR 33 HG23 THR 33 8.748 -6.571 0.857 271 H LYS 34 H LYS 34 8.752 -3.672 -0.075 272 HA LYS 34 HA LYS 34 11.109 -3.694 1.764 273 1HB LYS 34 HB2 LYS 34 10.719 -3.787 -1.241 274 2HB LYS 34 HB3 LYS 34 12.287 -3.352 -0.534 275 1HG LYS 34 HG2 LYS 34 12.538 -5.384 0.595 276 2HG LYS 34 HG3 LYS 34 10.843 -5.851 0.397 277 1HD LYS 34 HD2 LYS 34 11.108 -6.142 -1.999 278 2HD LYS 34 HD3 LYS 34 12.769 -5.504 -1.925 279 1HE LYS 34 HE2 LYS 34 13.359 -7.410 -0.354 280 2HE LYS 34 HE3 LYS 34 11.741 -8.084 -0.617 281 1HZ LYS 34 HZ1 LYS 34 13.712 -7.592 -2.753 282 2HZ LYS 34 HZ2 LYS 34 13.488 -9.044 -2.015 283 3HZ LYS 34 HZ3 LYS 34 12.273 -8.381 -2.907 284 H PHE 35 H PHE 35 8.827 -1.739 1.852 285 HA PHE 35 HA PHE 35 10.596 0.594 1.852 286 1HB PHE 35 HB2 PHE 35 8.767 0.311 -0.142 287 2HB PHE 35 HB3 PHE 35 7.741 0.918 1.092 288 HD1 PHE 35 HD1 PHE 35 7.301 3.231 0.908 289 HD2 PHE 35 HD2 PHE 35 11.271 1.768 0.017 290 HE1 PHE 35 HE1 PHE 35 8.070 5.546 0.456 291 HE2 PHE 35 HE2 PHE 35 12.025 4.066 -0.412 292 HZ PHE 35 HZ PHE 35 10.444 5.972 -0.163 293 H LEU 36 H LEU 36 9.095 -1.455 3.810 294 HA LEU 36 HA LEU 36 7.210 0.097 5.239 295 1HB LEU 36 HB2 LEU 36 9.052 -2.161 6.106 296 2HB LEU 36 HB3 LEU 36 7.787 -1.501 7.138 297 HG LEU 36 HG LEU 36 7.232 -2.665 4.366 298 1HD1 LEU 36 HD11 LEU 36 8.162 -4.399 5.760 299 2HD1 LEU 36 HD12 LEU 36 7.186 -3.893 7.159 300 3HD1 LEU 36 HD13 LEU 36 6.418 -4.627 5.742 301 1HD2 LEU 36 HD21 LEU 36 5.374 -1.432 4.748 302 2HD2 LEU 36 HD22 LEU 36 4.932 -2.840 5.745 303 3HD2 LEU 36 HD23 LEU 36 5.575 -1.388 6.511 304 H GLU 37 H GLU 37 10.534 -0.640 6.414 305 HA GLU 37 HA GLU 37 10.582 1.437 8.347 306 1HB GLU 37 HB2 GLU 37 12.626 -0.360 7.046 307 2HB GLU 37 HB3 GLU 37 13.206 1.107 7.835 308 1HG GLU 37 HG2 GLU 37 12.017 0.479 9.919 309 2HG GLU 37 HG3 GLU 37 11.523 -1.047 9.178 310 H GLU 38 H GLU 38 11.426 1.410 4.900 311 HA GLU 38 HA GLU 38 12.800 3.914 4.833 312 1HB GLU 38 HB2 GLU 38 11.248 2.394 2.740 313 2HB GLU 38 HB3 GLU 38 12.220 3.801 2.388 314 1HG GLU 38 HG2 GLU 38 13.806 1.845 3.907 315 2HG GLU 38 HG3 GLU 38 13.135 1.132 2.430 316 H HIS 39 HN HIS 39 9.382 2.993 4.368 317 HA HIS 39 HA HIS 39 8.299 5.272 3.284 318 1HB HIS 39 HB2 HIS 39 6.960 3.355 3.463 319 2HB HIS 39 HB3 HIS 39 7.123 3.285 5.224 320 HD1 HIS 39 HND HIS 39 4.909 3.974 6.314 321 HD2 HIS 39 HD HIS 39 5.757 5.910 2.679 322 HE1 HIS 39 HE HIS 39 2.958 5.522 5.859 323 HA PRO 40 HA PRO 40 9.349 7.817 6.892 324 1HB PRO 40 HB2 PRO 40 9.423 10.280 5.704 325 2HB PRO 40 HB3 PRO 40 10.694 9.044 5.520 326 1HG PRO 40 HG2 PRO 40 8.547 9.793 3.563 327 2HG PRO 40 HG3 PRO 40 10.238 9.306 3.255 328 1HD PRO 40 HD2 PRO 40 7.964 7.640 3.097 329 2HD PRO 40 HD3 PRO 40 9.656 7.095 3.189 330 H GLY 41 H GLY 41 7.195 6.931 7.473 331 1HA GLY 41 HA1 GLY 41 5.274 9.072 8.008 332 2HA GLY 41 HA2 GLY 41 4.728 7.804 6.868 333 H GLY 42 H GLY 42 5.753 5.522 7.906 334 1HA GLY 42 HA1 GLY 42 5.738 4.867 10.519 335 2HA GLY 42 HA2 GLY 42 4.013 5.159 10.260 336 H GLU 43 H GLU 43 6.637 2.945 9.753 337 HA GLU 43 HA GLU 43 5.561 1.155 7.863 338 1HB GLU 43 HB2 GLU 43 6.957 -0.492 9.015 339 2HB GLU 43 HB3 GLU 43 7.797 1.046 8.788 340 1HG GLU 43 HG2 GLU 43 6.778 1.428 11.329 341 2HG GLU 43 HG3 GLU 43 7.000 -0.329 11.302 342 H ALA 44 H ALA 44 4.846 1.629 11.332 343 HA ALA 44 HA ALA 44 3.346 -0.691 11.767 344 1HB ALA 44 HB1 ALA 44 2.582 0.312 13.769 345 2HB ALA 44 HB2 ALA 44 4.193 1.003 13.497 346 3HB ALA 44 HB3 ALA 44 2.742 1.961 13.134 347 H VAL 45 H VAL 45 2.101 2.624 10.957 348 HA VAL 45 HA VAL 45 -0.547 1.649 10.529 349 HB VAL 45 HB VAL 45 -0.222 3.956 11.024 350 1HG1 VAL 45 HG11 VAL 45 0.580 5.568 9.352 351 2HG1 VAL 45 HG12 VAL 45 1.863 4.455 9.837 352 3HG1 VAL 45 HG13 VAL 45 1.054 4.252 8.263 353 1HG2 VAL 45 HG21 VAL 45 -1.392 3.724 8.232 354 2HG2 VAL 45 HG22 VAL 45 -2.211 3.113 9.678 355 3HG2 VAL 45 HG23 VAL 45 -1.862 4.843 9.522 356 H LEU 46 H LEU 46 2.299 2.093 8.164 357 HA LEU 46 HA LEU 46 0.715 1.343 5.979 358 1HB LEU 46 HB2 LEU 46 3.433 1.826 6.450 359 2HB LEU 46 HB3 LEU 46 3.419 0.151 5.898 360 HG LEU 46 HG LEU 46 2.124 2.547 4.517 361 1HD1 LEU 46 HD11 LEU 46 4.222 1.214 2.981 362 2HD1 LEU 46 HD12 LEU 46 4.028 2.912 3.410 363 3HD1 LEU 46 HD13 LEU 46 4.855 1.798 4.526 364 1HD2 LEU 46 HD21 LEU 46 1.835 1.072 2.613 365 2HD2 LEU 46 HD22 LEU 46 2.447 -0.324 3.528 366 3HD2 LEU 46 HD23 LEU 46 0.915 0.452 3.982 367 H ARG 47 H ARG 47 2.137 -0.729 8.490 368 HA ARG 47 HA ARG 47 1.628 -3.233 7.157 369 1HB ARG 47 HB2 ARG 47 3.439 -2.735 8.875 370 2HB ARG 47 HB3 ARG 47 2.169 -2.666 10.096 371 1HG ARG 47 HG2 ARG 47 3.151 -4.794 10.234 372 2HG ARG 47 HG3 ARG 47 1.568 -5.071 9.495 373 1HD ARG 47 HD2 ARG 47 2.558 -5.391 7.308 374 2HD ARG 47 HD3 ARG 47 4.102 -4.689 7.858 375 HE ARG 47 HE ARG 47 3.290 -7.055 9.347 376 1HH1 ARG 47 HH11 ARG 47 6.222 -8.688 8.270 377 2HH1 ARG 47 HH12 ARG 47 4.974 -8.618 9.472 378 1HH2 ARG 47 HH21 ARG 47 6.081 -7.217 6.375 379 2HH2 ARG 47 HH22 ARG 47 4.750 -6.101 6.265 380 H ALA 48 H ALA 48 -0.004 -1.292 9.648 381 HA ALA 48 HA ALA 48 -1.972 -3.243 10.368 382 1HB ALA 48 HB1 ALA 48 -1.988 -0.206 10.568 383 2HB ALA 48 HB2 ALA 48 -3.072 -1.313 11.449 384 3HB ALA 48 HB3 ALA 48 -1.319 -1.325 11.772 385 H GLN 49 H GLN 49 -1.950 -0.511 8.024 386 HA GLN 49 HA GLN 49 -4.648 -1.144 7.110 387 1HB GLN 49 HB2 GLN 49 -2.501 0.873 6.487 388 2HB GLN 49 HB3 GLN 49 -3.597 0.486 5.189 389 1HG GLN 49 HG2 GLN 49 -4.478 1.368 7.967 390 2HG GLN 49 HG3 GLN 49 -4.343 2.397 6.531 391 1HE2 GLN 49 HE21 GLN 49 -6.844 2.357 7.738 392 2HE2 GLN 49 HE22 GLN 49 -7.925 1.402 6.729 393 H ALA 50 H ALA 50 -1.475 -2.374 6.386 394 HA ALA 50 HA ALA 50 -1.810 -3.078 3.765 395 1HB ALA 50 HB1 ALA 50 0.226 -3.378 4.977 396 2HB ALA 50 HB2 ALA 50 -0.435 -4.765 5.875 397 3HB ALA 50 HB3 ALA 50 -0.195 -4.876 4.125 398 H GLY 51 H GLY 51 -2.556 -4.904 2.658 399 1HA GLY 51 HA1 GLY 51 -4.115 -6.469 2.083 400 2HA GLY 51 HA2 GLY 51 -3.929 -7.139 3.716 401 H GLY 52 H GLY 52 -5.200 -3.938 2.613 402 1HA GLY 52 HA1 GLY 52 -7.943 -4.711 3.072 403 2HA GLY 52 HA2 GLY 52 -7.282 -3.667 4.356 404 H ASP 53 H ASP 53 -9.326 -2.675 2.894 405 HA ASP 53 HA ASP 53 -8.414 -0.981 0.731 406 1HB ASP 53 HB2 ASP 53 -10.962 -1.502 2.066 407 2HB ASP 53 HB3 ASP 53 -10.653 0.230 2.059 408 H ALA 54 H ALA 54 -6.717 0.273 1.193 409 HA ALA 54 HA ALA 54 -6.707 1.790 3.784 410 1HB ALA 54 HB1 ALA 54 -4.395 1.277 1.892 411 2HB ALA 54 HB2 ALA 54 -4.353 2.030 3.504 412 3HB ALA 54 HB3 ALA 54 -4.751 0.294 3.321 413 H THR 55 H THR 55 -7.557 2.082 0.540 414 HA THR 55 HA THR 55 -6.605 4.380 -0.397 415 HB THR 55 HB THR 55 -9.580 3.704 -0.394 416 HG1 THR 55 HG1 THR 55 -8.863 1.885 -1.218 417 1HG2 THR 55 HG21 THR 55 -8.972 5.883 -1.441 418 2HG2 THR 55 HG22 THR 55 -7.651 5.081 -2.313 419 3HG2 THR 55 HG23 THR 55 -9.347 4.706 -2.718 420 H ALA 56 H ALA 56 -9.310 4.305 1.933 421 HA ALA 56 HA ALA 56 -9.595 7.099 2.263 422 1HB ALA 56 HB1 ALA 56 -10.208 4.843 4.212 423 2HB ALA 56 HB2 ALA 56 -10.840 6.503 4.287 424 3HB ALA 56 HB3 ALA 56 -11.283 5.450 2.931 425 H ASN 57 H ASN 57 -7.352 4.809 3.777 426 HA ASN 57 HA ASN 57 -6.660 6.580 5.999 427 1HB ASN 57 HB2 ASN 57 -6.386 3.816 5.439 428 2HB ASN 57 HB3 ASN 57 -4.742 4.433 5.399 429 1HD2 ASN 57 HD21 ASN 57 -7.770 4.753 7.387 430 2HD2 ASN 57 HD22 ASN 57 -6.925 4.688 8.927 431 H PHE 58 H PHE 58 -5.173 5.445 2.966 432 HA PHE 58 HA PHE 58 -2.824 7.012 2.973 433 1HB PHE 58 HB2 PHE 58 -3.162 5.230 1.398 434 2HB PHE 58 HB3 PHE 58 -4.600 5.988 0.734 435 HD1 PHE 58 HD1 PHE 58 -0.938 6.639 1.231 436 HD2 PHE 58 HD2 PHE 58 -4.398 7.269 -1.245 437 HE1 PHE 58 HE1 PHE 58 0.512 7.621 -0.529 438 HE2 PHE 58 HE2 PHE 58 -2.955 8.161 -3.041 439 HZ PHE 58 HZ PHE 58 -0.486 8.348 -2.689 440 H GLU 59 H GLU 59 -6.010 7.776 1.374 441 HA GLU 59 HA GLU 59 -5.165 10.348 0.578 442 1HB GLU 59 HB2 GLU 59 -7.451 10.773 -0.038 443 2HB GLU 59 HB3 GLU 59 -6.932 9.145 -0.491 444 1HG GLU 59 HG2 GLU 59 -8.978 8.604 0.343 445 2HG GLU 59 HG3 GLU 59 -8.010 8.492 1.813 446 H ALA 60 H ALA 60 -6.864 9.283 3.535 447 HA ALA 60 HA ALA 60 -7.373 11.700 4.738 448 1HB ALA 60 HB1 ALA 60 -7.004 10.534 6.923 449 2HB ALA 60 HB2 ALA 60 -8.029 9.637 5.792 450 3HB ALA 60 HB3 ALA 60 -6.352 9.142 6.042 451 H VAL 61 H VAL 61 -4.151 10.245 4.294 452 HA VAL 61 HA VAL 61 -2.949 12.761 5.418 453 HB VAL 61 HB VAL 61 -0.875 11.467 5.695 454 1HG1 VAL 61 HG11 VAL 61 -2.703 9.939 7.463 455 2HG1 VAL 61 HG12 VAL 61 -1.406 11.079 7.856 456 3HG1 VAL 61 HG13 VAL 61 -3.021 11.679 7.447 457 1HG2 VAL 61 HG21 VAL 61 -1.433 9.531 4.191 458 2HG2 VAL 61 HG22 VAL 61 -0.939 9.035 5.815 459 3HG2 VAL 61 HG23 VAL 61 -2.649 9.026 5.353 460 H GLY 62 H GLY 62 -3.989 13.256 3.170 461 1HA GLY 62 HA1 GLY 62 -3.116 12.836 0.729 462 2HA GLY 62 HA2 GLY 62 -3.255 14.488 1.340 463 H HIS 63 HN HIS 63 -1.181 12.236 -0.031 464 HA HIS 63 HA HIS 63 1.351 13.193 1.092 465 1HB HIS 63 HB2 HIS 63 0.592 11.122 -1.022 466 2HB HIS 63 HB3 HIS 63 2.218 11.499 -0.475 467 HD1 HIS 63 HND HIS 63 -0.930 10.305 1.583 468 HD2 HIS 63 HD HIS 63 3.186 9.903 1.035 469 HE1 HIS 63 HE HIS 63 -0.245 8.253 2.916 470 H SER 64 H SER 64 3.175 13.730 -0.413 471 HA SER 64 HA SER 64 2.313 15.778 -2.350 472 1HB SER 64 HB2 SER 64 5.038 14.933 -1.289 473 2HB SER 64 HB3 SER 64 4.805 16.230 -2.469 474 HG SER 64 HG SER 64 3.196 17.047 -0.839 475 H THR 65 H THR 65 3.605 16.044 -4.447 476 HA THR 65 HA THR 65 2.888 14.233 -6.316 477 HB THR 65 HB THR 65 5.413 15.883 -6.557 478 HG1 THR 65 HG1 THR 65 4.026 17.667 -6.822 479 1HG2 THR 65 HG21 THR 65 4.735 14.624 -8.549 480 2HG2 THR 65 HG22 THR 65 3.097 15.302 -8.459 481 3HG2 THR 65 HG23 THR 65 4.481 16.356 -8.813 482 H ASP 66 H ASP 66 6.101 14.523 -4.765 483 HA ASP 66 HA ASP 66 7.477 12.536 -6.126 484 1HB ASP 66 HB2 ASP 66 8.050 14.262 -4.047 485 2HB ASP 66 HB3 ASP 66 7.947 12.748 -3.148 486 H ALA 67 H ALA 67 5.383 12.277 -3.267 487 HA ALA 67 HA ALA 67 5.656 9.432 -2.893 488 1HB ALA 67 HB1 ALA 67 4.651 10.079 -0.997 489 2HB ALA 67 HB2 ALA 67 4.123 11.611 -1.694 490 3HB ALA 67 HB3 ALA 67 3.146 10.137 -1.916 491 H ARG 68 H ARG 68 3.277 11.470 -4.621 492 HA ARG 68 HA ARG 68 1.501 9.407 -5.419 493 1HB ARG 68 HB2 ARG 68 2.036 12.216 -6.279 494 2HB ARG 68 HB3 ARG 68 1.372 11.176 -7.523 495 1HG ARG 68 HG2 ARG 68 -0.504 12.100 -6.603 496 2HG ARG 68 HG3 ARG 68 -0.442 10.500 -5.864 497 1HD ARG 68 HD2 ARG 68 0.755 11.642 -3.874 498 2HD ARG 68 HD3 ARG 68 0.308 13.186 -4.575 499 HE ARG 68 HE ARG 68 -1.327 11.352 -3.082 500 1HH1 ARG 68 HH11 ARG 68 -4.438 12.819 -3.827 501 2HH1 ARG 68 HH12 ARG 68 -3.604 11.665 -2.842 502 1HH2 ARG 68 HH21 ARG 68 -3.244 14.029 -5.489 503 2HH2 ARG 68 HH22 ARG 68 -1.535 13.750 -5.646 504 H GLU 69 H GLU 69 4.578 10.515 -6.782 505 HA GLU 69 HA GLU 69 4.403 8.874 -9.219 506 1HB GLU 69 HB2 GLU 69 6.231 10.867 -8.000 507 2HB GLU 69 HB3 GLU 69 6.976 9.723 -9.110 508 1HG GLU 69 HG2 GLU 69 4.421 11.096 -9.983 509 2HG GLU 69 HG3 GLU 69 5.929 12.017 -9.975 510 H LEU 70 H LEU 70 6.149 8.828 -6.114 511 HA LEU 70 HA LEU 70 7.698 6.584 -6.574 512 1HB LEU 70 HB2 LEU 70 7.986 8.190 -4.746 513 2HB LEU 70 HB3 LEU 70 6.496 7.599 -4.009 514 HG LEU 70 HG LEU 70 7.488 5.898 -2.960 515 1HD1 LEU 70 HD11 LEU 70 9.422 4.597 -3.960 516 2HD1 LEU 70 HD12 LEU 70 7.833 4.565 -4.737 517 3HD1 LEU 70 HD13 LEU 70 9.156 5.539 -5.437 518 1HD2 LEU 70 HD21 LEU 70 9.892 6.275 -2.441 519 2HD2 LEU 70 HD22 LEU 70 9.951 7.531 -3.684 520 3HD2 LEU 70 HD23 LEU 70 8.903 7.737 -2.256 521 H SER 71 H SER 71 4.551 6.771 -4.955 522 HA SER 71 HA SER 71 3.896 4.090 -4.667 523 1HB SER 71 HB2 SER 71 1.568 4.704 -4.839 524 2HB SER 71 HB3 SER 71 2.482 5.941 -3.941 525 HG SER 71 HG SER 71 1.250 6.124 -6.428 526 H LYS 72 H LYS 72 3.533 5.967 -7.744 527 HA LYS 72 HA LYS 72 2.643 3.711 -9.235 528 1HB LYS 72 HB2 LYS 72 4.094 6.218 -10.146 529 2HB LYS 72 HB3 LYS 72 3.449 5.006 -11.239 530 1HG LYS 72 HG2 LYS 72 1.781 6.504 -9.161 531 2HG LYS 72 HG3 LYS 72 1.985 6.984 -10.842 532 1HD LYS 72 HD2 LYS 72 1.137 4.575 -11.445 533 2HD LYS 72 HD3 LYS 72 0.683 4.440 -9.745 534 1HE LYS 72 HE2 LYS 72 -1.287 5.107 -10.839 535 2HE LYS 72 HE3 LYS 72 -0.693 6.553 -10.003 536 1HZ LYS 72 HZ1 LYS 72 0.261 7.247 -12.139 537 2HZ LYS 72 HZ2 LYS 72 -0.370 5.919 -12.873 538 3HZ LYS 72 HZ3 LYS 72 -1.369 7.062 -12.240 539 H THR 73 H THR 73 5.952 4.815 -8.522 540 HA THR 73 HA THR 73 7.270 2.789 -10.069 541 HB THR 73 HB THR 73 8.121 4.564 -7.773 542 HG1 THR 73 HG1 THR 73 9.038 5.636 -9.386 543 1HG2 THR 73 HG21 THR 73 10.453 3.837 -8.186 544 2HG2 THR 73 HG22 THR 73 9.465 2.611 -7.383 545 3HG2 THR 73 HG23 THR 73 9.834 2.455 -9.118 546 H PHE 74 H PHE 74 5.674 2.657 -6.991 547 HA PHE 74 HA PHE 74 6.570 -0.178 -6.580 548 1HB PHE 74 HB2 PHE 74 5.077 1.783 -4.810 549 2HB PHE 74 HB3 PHE 74 5.253 0.085 -4.414 550 HD1 PHE 74 HD1 PHE 74 7.832 -0.822 -4.786 551 HD2 PHE 74 HD2 PHE 74 6.507 3.044 -3.413 552 HE1 PHE 74 HE1 PHE 74 9.999 -0.488 -3.634 553 HE2 PHE 74 HE2 PHE 74 8.616 3.298 -2.138 554 HZ PHE 74 HZ PHE 74 10.379 1.557 -2.288 555 H ILE 75 H ILE 75 4.273 1.207 -8.464 556 HA ILE 75 HA ILE 75 1.915 -0.198 -7.668 557 HB ILE 75 HB ILE 75 2.363 1.644 -9.453 558 1HG1 ILE 75 HG12 ILE 75 0.128 -0.366 -9.541 559 2HG1 ILE 75 HG13 ILE 75 0.285 1.097 -8.550 560 1HG2 ILE 75 HG21 ILE 75 2.310 0.922 -11.760 561 2HG2 ILE 75 HG22 ILE 75 3.653 0.101 -10.990 562 3HG2 ILE 75 HG23 ILE 75 2.126 -0.774 -11.276 563 1HD1 ILE 75 HD11 ILE 75 -0.477 0.866 -11.381 564 2HD1 ILE 75 HD12 ILE 75 -0.847 2.139 -10.189 565 3HD1 ILE 75 HD13 ILE 75 0.687 2.170 -11.021 566 H ILE 76 H ILE 76 1.345 -2.371 -7.863 567 HA ILE 76 HA ILE 76 3.199 -4.133 -9.469 568 HB ILE 76 HB ILE 76 2.221 -5.944 -8.021 569 1HG1 ILE 76 HG12 ILE 76 1.527 -3.648 -6.138 570 2HG1 ILE 76 HG13 ILE 76 0.327 -4.397 -7.195 571 1HG2 ILE 76 HG21 ILE 76 3.880 -5.522 -6.266 572 2HG2 ILE 76 HG22 ILE 76 4.519 -4.961 -7.804 573 3HG2 ILE 76 HG23 ILE 76 3.884 -3.786 -6.638 574 1HD1 ILE 76 HD11 ILE 76 0.963 -5.228 -4.655 575 2HD1 ILE 76 HD12 ILE 76 0.174 -6.241 -5.896 576 3HD1 ILE 76 HD13 ILE 76 1.923 -6.336 -5.640 577 H GLY 77 H GLY 77 0.059 -2.761 -9.455 578 1HA GLY 77 HA1 GLY 77 -0.787 -3.439 -11.905 579 2HA GLY 77 HA2 GLY 77 -1.218 -4.895 -10.975 580 H GLU 78 H GLU 78 -3.405 -4.572 -11.005 581 HA GLU 78 HA GLU 78 -4.418 -2.255 -9.494 582 1HB GLU 78 HB2 GLU 78 -4.941 -2.915 -12.350 583 2HB GLU 78 HB3 GLU 78 -6.368 -2.585 -11.367 584 1HG GLU 78 HG2 GLU 78 -5.328 -0.503 -10.565 585 2HG GLU 78 HG3 GLU 78 -4.018 -0.731 -11.757 586 H LEU 79 H LEU 79 -6.765 -2.480 -9.025 587 HA LEU 79 HA LEU 79 -7.170 -4.922 -7.506 588 1HB LEU 79 HB2 LEU 79 -8.034 -2.746 -6.749 589 2HB LEU 79 HB3 LEU 79 -8.915 -2.574 -8.278 590 HG LEU 79 HG LEU 79 -10.073 -4.843 -7.520 591 1HD1 LEU 79 HD11 LEU 79 -9.559 -3.780 -4.759 592 2HD1 LEU 79 HD12 LEU 79 -10.065 -5.396 -5.282 593 3HD1 LEU 79 HD13 LEU 79 -8.393 -4.891 -5.504 594 1HD2 LEU 79 HD21 LEU 79 -11.884 -3.670 -7.132 595 2HD2 LEU 79 HD22 LEU 79 -11.149 -2.644 -5.891 596 3HD2 LEU 79 HD23 LEU 79 -10.929 -2.282 -7.618 597 H HIS 80 H HIS 80 -8.219 -6.759 -8.200 598 HA HIS 80 HA HIS 80 -8.807 -7.327 -10.873 599 1HB HIS 80 HB2 HIS 80 -8.621 -8.798 -8.715 600 2HB HIS 80 HB3 HIS 80 -10.373 -8.620 -8.653 601 HD1 HIS 80 HD1 HIS 80 -11.609 -10.309 -10.304 602 HD2 HIS 80 HD2 HIS 80 -7.460 -9.999 -10.855 603 HE1 HIS 80 HE1 HIS 80 -10.999 -12.051 -12.017 604 HA PRO 81 HA PRO 81 -12.681 -5.264 -11.585 605 1HB PRO 81 HB2 PRO 81 -13.549 -6.592 -13.826 606 2HB PRO 81 HB3 PRO 81 -12.253 -5.364 -13.813 607 1HG PRO 81 HG2 PRO 81 -11.963 -8.372 -13.831 608 2HG PRO 81 HG3 PRO 81 -11.022 -7.162 -14.754 609 1HD PRO 81 HD2 PRO 81 -10.160 -8.350 -12.464 610 2HD PRO 81 HD3 PRO 81 -9.661 -6.703 -12.933 611 H ASP 82 H ASP 82 -12.372 -8.553 -10.631 612 HA ASP 82 HA ASP 82 -15.206 -9.178 -10.501 613 1HB ASP 82 HB2 ASP 82 -13.401 -10.896 -10.639 614 2HB ASP 82 HB3 ASP 82 -12.908 -10.442 -8.963 615 H ASP 83 H ASP 83 -12.847 -7.559 -8.446 616 HA ASP 83 HA ASP 83 -14.332 -7.702 -5.961 617 1HB ASP 83 HB2 ASP 83 -11.964 -7.423 -5.857 618 2HB ASP 83 HB3 ASP 83 -12.020 -6.016 -6.937 619 H ARG 84 H ARG 84 -13.853 -5.219 -8.428 620 HA ARG 84 HA ARG 84 -15.365 -3.119 -7.280 621 1HB ARG 84 HB2 ARG 84 -14.264 -3.813 -9.967 622 2HB ARG 84 HB3 ARG 84 -15.606 -2.675 -9.987 623 1HG ARG 84 HG2 ARG 84 -14.510 -1.091 -8.637 624 2HG ARG 84 HG3 ARG 84 -13.238 -2.209 -8.153 625 1HD ARG 84 HD2 ARG 84 -13.752 -1.250 -10.988 626 2HD ARG 84 HD3 ARG 84 -12.522 -0.548 -9.908 627 HE ARG 84 HE ARG 84 -11.877 -3.222 -9.908 628 1HH1 ARG 84 HH11 ARG 84 -10.072 -3.540 -12.921 629 2HH1 ARG 84 HH12 ARG 84 -10.085 -3.977 -11.251 630 1HH2 ARG 84 HH21 ARG 84 -11.273 -1.637 -13.612 631 2HH2 ARG 84 HH22 ARG 84 -12.418 -0.919 -12.521 632 HHA HEM 201 HGM HEM 201 4.757 10.970 5.156 633 HHB HEM 201 HDM HEM 201 5.844 7.698 -0.312 634 HHC HEM 201 HAM HEM 201 0.672 4.068 0.908 635 HHD HEM 201 HBM HEM 201 0.090 6.798 6.721 636 1HMA HEM 201 HM81 HEM 201 7.348 11.081 0.529 637 2HMA HEM 201 HM82 HEM 201 8.150 9.514 0.776 638 3HMA HEM 201 HM83 HEM 201 6.861 9.700 -0.428 639 1HAA HEM 201 HAA1 HEM 201 6.707 11.741 4.141 640 2HAA HEM 201 HAA2 HEM 201 7.247 12.027 2.500 641 1HBA HEM 201 HBA1 HEM 201 5.656 13.741 3.435 642 2HBA HEM 201 HBA2 HEM 201 4.371 12.542 3.401 643 1HMB HEM 201 HM11 HEM 201 5.833 5.406 -1.572 644 2HMB HEM 201 HM12 HEM 201 4.479 4.844 -2.551 645 3HMB HEM 201 HM13 HEM 201 4.847 6.578 -2.487 646 HAB HEM 201 HT2A HEM 201 2.274 3.039 -1.185 647 1HBB HEM 201 HV2C HEM 201 0.837 5.482 -2.272 648 2HBB HEM 201 HV2T HEM 201 0.738 3.708 -2.864 649 1HMC HEM 201 HM31 HEM 201 -0.931 2.520 3.251 650 2HMC HEM 201 HM32 HEM 201 -2.310 3.638 3.232 651 3HMC HEM 201 HM33 HEM 201 -1.302 3.464 1.790 652 HAC HEM 201 HT4A HEM 201 -1.788 3.905 5.978 653 1HBC HEM 201 HV4C HEM 201 -2.225 6.890 5.477 654 2HBC HEM 201 HV4T HEM 201 -3.096 5.854 6.745 655 1HMD HEM 201 HM51 HEM 201 0.365 9.519 8.420 656 2HMD HEM 201 HM52 HEM 201 0.754 7.795 8.580 657 3HMD HEM 201 HM53 HEM 201 1.866 8.996 9.208 658 1HAD HEM 201 HAD1 HEM 201 3.459 10.484 8.649 659 2HAD HEM 201 HAD2 HEM 201 4.450 11.042 7.329 660 1HBD HEM 201 HBD1 HEM 201 2.067 12.215 6.705 661 2HBD HEM 201 HBD2 HEM 201 1.997 12.178 8.476 Start of MODEL 11 1 1H ALA 3 H1 ALA 3 1.750 -11.168 -15.925 2 2H ALA 3 H2 ALA 3 1.849 -12.236 -17.211 3 3H ALA 3 H3 ALA 3 2.911 -10.964 -17.054 4 HA ALA 3 HA ALA 3 0.073 -10.896 -17.715 5 1HB ALA 3 HB1 ALA 3 2.467 -9.394 -18.877 6 2HB ALA 3 HB2 ALA 3 1.692 -10.831 -19.586 7 3HB ALA 3 HB3 ALA 3 0.789 -9.314 -19.464 8 H VAL 4 H VAL 4 -0.251 -8.089 -17.995 9 HA VAL 4 HA VAL 4 -0.164 -7.169 -15.195 10 HB VAL 4 HB VAL 4 -2.054 -6.539 -17.488 11 1HG1 VAL 4 HG11 VAL 4 -1.981 -5.276 -14.718 12 2HG1 VAL 4 HG12 VAL 4 -2.969 -4.744 -16.094 13 3HG1 VAL 4 HG13 VAL 4 -3.276 -6.316 -15.358 14 1HG2 VAL 4 HG21 VAL 4 0.132 -4.909 -16.138 15 2HG2 VAL 4 HG22 VAL 4 0.205 -5.590 -17.779 16 3HG2 VAL 4 HG23 VAL 4 -0.955 -4.302 -17.410 17 H LYS 5 H LYS 5 -1.439 -8.080 -13.697 18 HA LYS 5 HA LYS 5 -3.833 -9.523 -14.460 19 1HB LYS 5 HB2 LYS 5 -2.212 -11.344 -14.576 20 2HB LYS 5 HB3 LYS 5 -1.681 -11.041 -12.907 21 1HG LYS 5 HG2 LYS 5 -3.803 -11.680 -12.002 22 2HG LYS 5 HG3 LYS 5 -4.615 -11.436 -13.545 23 1HD LYS 5 HD2 LYS 5 -3.101 -13.437 -14.386 24 2HD LYS 5 HD3 LYS 5 -2.928 -13.766 -12.652 25 1HE LYS 5 HE2 LYS 5 -5.671 -13.390 -12.840 26 2HE LYS 5 HE3 LYS 5 -5.329 -13.938 -14.485 27 1HZ LYS 5 HZ1 LYS 5 -4.764 -15.365 -11.972 28 2HZ LYS 5 HZ2 LYS 5 -5.886 -15.758 -13.102 29 3HZ LYS 5 HZ3 LYS 5 -4.286 -15.909 -13.456 30 H TYR 6 H TYR 6 -5.203 -8.432 -13.315 31 HA TYR 6 HA TYR 6 -4.565 -6.885 -11.048 32 1HB TYR 6 HB2 TYR 6 -7.250 -8.013 -11.879 33 2HB TYR 6 HB3 TYR 6 -6.959 -6.530 -10.953 34 HD1 TYR 6 HD1 TYR 6 -5.140 -4.941 -12.384 35 HD2 TYR 6 HD2 TYR 6 -8.078 -7.618 -14.021 36 HE1 TYR 6 HE1 TYR 6 -5.396 -3.450 -14.374 37 HE2 TYR 6 HE2 TYR 6 -8.320 -6.159 -15.996 38 HH TYR 6 HH TYR 6 -7.664 -4.201 -17.026 39 H TYR 7 H TYR 7 -5.537 -7.184 -8.836 40 HA TYR 7 HA TYR 7 -5.309 -10.052 -7.963 41 1HB TYR 7 HB2 TYR 7 -4.549 -7.518 -6.551 42 2HB TYR 7 HB3 TYR 7 -4.282 -9.160 -5.948 43 HD1 TYR 7 HD1 TYR 7 -2.657 -10.680 -7.207 44 HD2 TYR 7 HD2 TYR 7 -2.865 -6.436 -7.825 45 HE1 TYR 7 HE1 TYR 7 -0.593 -10.787 -8.584 46 HE2 TYR 7 HE2 TYR 7 -0.791 -6.533 -9.207 47 HH TYR 7 HH TYR 7 1.049 -9.557 -9.645 48 H THR 8 H THR 8 -6.856 -10.797 -6.587 49 HA THR 8 HA THR 8 -9.296 -9.246 -6.216 50 HB THR 8 HB THR 8 -10.193 -11.221 -5.249 51 HG1 THR 8 HG1 THR 8 -7.996 -12.840 -5.172 52 1HG2 THR 8 HG21 THR 8 -9.881 -12.880 -6.934 53 2HG2 THR 8 HG22 THR 8 -9.651 -11.316 -7.737 54 3HG2 THR 8 HG23 THR 8 -8.244 -12.321 -7.321 55 H LEU 9 H LEU 9 -10.231 -8.742 -4.040 56 HA LEU 9 HA LEU 9 -8.474 -7.589 -2.237 57 1HB LEU 9 HB2 LEU 9 -11.268 -7.996 -2.458 58 2HB LEU 9 HB3 LEU 9 -10.879 -8.714 -0.965 59 HG LEU 9 HG LEU 9 -10.069 -5.875 -1.747 60 1HD1 LEU 9 HD11 LEU 9 -11.794 -5.113 -0.189 61 2HD1 LEU 9 HD12 LEU 9 -12.519 -6.116 -1.453 62 3HD1 LEU 9 HD13 LEU 9 -12.255 -6.793 0.168 63 1HD2 LEU 9 HD21 LEU 9 -9.908 -7.253 0.973 64 2HD2 LEU 9 HD22 LEU 9 -8.516 -6.834 -0.049 65 3HD2 LEU 9 HD23 LEU 9 -9.523 -5.554 0.632 66 H GLU 10 H GLU 10 -9.684 -10.928 -2.398 67 HA GLU 10 HA GLU 10 -8.651 -11.899 0.053 68 1HB GLU 10 HB2 GLU 10 -10.229 -13.079 -1.511 69 2HB GLU 10 HB3 GLU 10 -8.865 -13.447 -2.546 70 1HG GLU 10 HG2 GLU 10 -9.284 -15.365 -1.146 71 2HG GLU 10 HG3 GLU 10 -7.735 -14.665 -0.693 72 H GLU 11 H GLU 11 -7.228 -12.157 -3.253 73 HA GLU 11 HA GLU 11 -4.739 -13.178 -2.481 74 1HB GLU 11 HB2 GLU 11 -5.796 -11.693 -4.852 75 2HB GLU 11 HB3 GLU 11 -4.069 -11.547 -4.585 76 1HG GLU 11 HG2 GLU 11 -4.443 -13.436 -6.043 77 2HG GLU 11 HG3 GLU 11 -3.848 -14.029 -4.488 78 H ILE 12 H ILE 12 -5.690 -9.712 -2.779 79 HA ILE 12 HA ILE 12 -3.178 -8.758 -1.866 80 HB ILE 12 HB ILE 12 -5.913 -7.412 -1.647 81 1HG1 ILE 12 HG12 ILE 12 -5.408 -7.944 -4.019 82 2HG1 ILE 12 HG13 ILE 12 -5.267 -6.228 -3.725 83 1HG2 ILE 12 HG21 ILE 12 -4.601 -5.988 -0.375 84 2HG2 ILE 12 HG22 ILE 12 -3.092 -6.466 -1.194 85 3HG2 ILE 12 HG23 ILE 12 -4.207 -5.363 -1.992 86 1HD1 ILE 12 HD11 ILE 12 -3.114 -8.299 -4.124 87 2HD1 ILE 12 HD12 ILE 12 -3.369 -6.802 -5.003 88 3HD1 ILE 12 HD13 ILE 12 -2.720 -6.716 -3.386 89 H GLN 13 H GLN 13 -6.097 -9.635 0.075 90 HA GLN 13 HA GLN 13 -5.062 -8.990 2.627 91 1HB GLN 13 HB2 GLN 13 -7.140 -10.945 1.601 92 2HB GLN 13 HB3 GLN 13 -6.659 -10.901 3.272 93 1HG GLN 13 HG2 GLN 13 -7.267 -8.193 2.358 94 2HG GLN 13 HG3 GLN 13 -8.581 -9.286 1.958 95 1HE2 GLN 13 HE21 GLN 13 -7.502 -7.296 4.434 96 2HE2 GLN 13 HE22 GLN 13 -8.425 -8.039 5.734 97 H LYS 14 H LYS 14 -4.442 -11.837 0.506 98 HA LYS 14 HA LYS 14 -3.167 -13.337 2.591 99 1HB LYS 14 HB2 LYS 14 -2.787 -13.448 -0.432 100 2HB LYS 14 HB3 LYS 14 -2.086 -14.595 0.692 101 1HG LYS 14 HG2 LYS 14 -5.062 -14.082 0.447 102 2HG LYS 14 HG3 LYS 14 -4.230 -15.309 -0.481 103 1HD LYS 14 HD2 LYS 14 -4.009 -16.743 1.283 104 2HD LYS 14 HD3 LYS 14 -3.652 -15.453 2.436 105 1HE LYS 14 HE2 LYS 14 -6.151 -14.772 2.202 106 2HE LYS 14 HE3 LYS 14 -6.392 -16.355 1.440 107 1HZ LYS 14 HZ1 LYS 14 -5.414 -15.760 4.152 108 2HZ LYS 14 HZ2 LYS 14 -6.876 -16.380 3.728 109 3HZ LYS 14 HZ3 LYS 14 -5.510 -17.291 3.532 110 H HIS 15 H HIS 15 -2.144 -10.412 1.101 111 HA HIS 15 HA HIS 15 0.714 -10.897 1.857 112 1HB HIS 15 HB2 HIS 15 -0.506 -9.048 -0.230 113 2HB HIS 15 HB3 HIS 15 1.158 -9.040 0.273 114 HD1 HIS 15 HD1 HIS 15 2.430 -9.916 -1.782 115 HD2 HIS 15 HD2 HIS 15 -1.071 -12.054 -0.896 116 HE1 HIS 15 HE1 HIS 15 2.324 -11.854 -3.418 117 H ASN 16 H ASN 16 -0.013 -10.474 4.113 118 HA ASN 16 HA ASN 16 0.546 -7.683 4.749 119 1HB ASN 16 HB2 ASN 16 -1.500 -7.280 6.061 120 2HB ASN 16 HB3 ASN 16 -1.821 -7.514 4.346 121 1HD2 ASN 16 HD21 ASN 16 -4.059 -7.778 5.406 122 2HD2 ASN 16 HD22 ASN 16 -4.490 -9.469 5.663 123 H ASN 17 H ASN 17 1.956 -10.117 5.346 124 HA ASN 17 HA ASN 17 2.042 -9.941 8.274 125 1HB ASN 17 HB2 ASN 17 0.110 -11.411 8.050 126 2HB ASN 17 HB3 ASN 17 1.035 -12.481 6.983 127 1HD2 ASN 17 HD21 ASN 17 1.050 -14.325 8.355 128 2HD2 ASN 17 HD22 ASN 17 1.871 -14.329 9.903 129 H SER 18 H SER 18 4.222 -9.287 7.641 130 HA SER 18 HA SER 18 6.439 -9.656 7.212 131 1HB SER 18 HB2 SER 18 7.327 -11.780 8.400 132 2HB SER 18 HB3 SER 18 6.533 -10.540 9.370 133 HG SER 18 HG SER 18 5.040 -12.690 8.324 134 H LYS 19 H LYS 19 5.035 -10.048 5.019 135 HA LYS 19 HA LYS 19 6.482 -12.167 3.539 136 1HB LYS 19 HB2 LYS 19 3.565 -12.160 4.159 137 2HB LYS 19 HB3 LYS 19 3.898 -12.146 2.423 138 1HG LYS 19 HG2 LYS 19 5.420 -14.066 2.702 139 2HG LYS 19 HG3 LYS 19 4.917 -14.213 4.394 140 1HD LYS 19 HD2 LYS 19 2.762 -14.938 3.837 141 2HD LYS 19 HD3 LYS 19 2.708 -13.982 2.361 142 1HE LYS 19 HE2 LYS 19 4.574 -15.728 1.524 143 2HE LYS 19 HE3 LYS 19 3.843 -16.747 2.770 144 1HZ LYS 19 HZ1 LYS 19 1.713 -16.370 1.630 145 2HZ LYS 19 HZ2 LYS 19 2.469 -15.452 0.494 146 3HZ LYS 19 HZ3 LYS 19 2.826 -17.047 0.624 147 H SER 20 H SER 20 3.744 -10.023 2.768 148 HA SER 20 HA SER 20 5.485 -8.165 1.295 149 1HB SER 20 HB2 SER 20 3.866 -10.183 0.036 150 2HB SER 20 HB3 SER 20 3.269 -8.567 -0.342 151 HG SER 20 HG SER 20 5.229 -8.029 -1.243 152 H THR 21 H THR 21 4.883 -6.279 2.510 153 HA THR 21 HA THR 21 2.146 -5.831 3.360 154 HB THR 21 HB THR 21 4.356 -3.818 2.857 155 HG1 THR 21 HG1 THR 21 3.726 -5.407 5.131 156 1HG2 THR 21 HG21 THR 21 3.257 -2.384 4.311 157 2HG2 THR 21 HG22 THR 21 1.899 -3.068 3.409 158 3HG2 THR 21 HG23 THR 21 2.322 -3.697 5.025 159 H TRP 22 H TRP 22 0.854 -6.306 1.524 160 HA TRP 22 HA TRP 22 0.948 -4.322 -0.715 161 1HB TRP 22 HB2 TRP 22 -0.603 -6.895 -0.281 162 2HB TRP 22 HB3 TRP 22 -0.853 -5.800 -1.631 163 HD1 TRP 22 HD1 TRP 22 2.759 -6.073 -0.981 164 HE1 TRP 22 HE1 TRP 22 3.896 -7.311 -2.805 165 HE3 TRP 22 HE3 TRP 22 -1.316 -8.332 -2.912 166 HZ2 TRP 22 HZ2 TRP 22 3.074 -9.002 -5.106 167 HZ3 TRP 22 HZ3 TRP 22 -1.229 -9.508 -5.077 168 HH2 TRP 22 HH2 TRP 22 1.007 -9.918 -6.172 169 H LEU 23 H LEU 23 -1.454 -3.654 -1.311 170 HA LEU 23 HA LEU 23 -3.516 -3.600 0.547 171 1HB LEU 23 HB2 LEU 23 -3.358 -1.058 1.085 172 2HB LEU 23 HB3 LEU 23 -2.530 -2.226 2.078 173 HG LEU 23 HG LEU 23 -0.381 -1.736 0.805 174 1HD1 LEU 23 HD11 LEU 23 -1.999 0.587 -0.259 175 2HD1 LEU 23 HD12 LEU 23 -0.255 0.382 -0.413 176 3HD1 LEU 23 HD13 LEU 23 -1.335 -0.733 -1.249 177 1HD2 LEU 23 HD21 LEU 23 -0.110 0.507 1.875 178 2HD2 LEU 23 HD22 LEU 23 -1.817 0.418 2.363 179 3HD2 LEU 23 HD23 LEU 23 -0.660 -0.798 2.957 180 H ILE 24 H ILE 24 -5.188 -1.871 -0.189 181 HA ILE 24 HA ILE 24 -4.829 -1.295 -3.109 182 HB ILE 24 HB ILE 24 -7.308 -1.964 -1.521 183 1HG1 ILE 24 HG12 ILE 24 -6.546 -3.329 -4.090 184 2HG1 ILE 24 HG13 ILE 24 -5.498 -3.667 -2.735 185 1HG2 ILE 24 HG21 ILE 24 -7.040 -0.988 -4.399 186 2HG2 ILE 24 HG22 ILE 24 -8.509 -1.712 -3.710 187 3HG2 ILE 24 HG23 ILE 24 -7.911 -0.175 -3.080 188 1HD1 ILE 24 HD11 ILE 24 -7.352 -4.367 -1.311 189 2HD1 ILE 24 HD12 ILE 24 -8.523 -3.974 -2.586 190 3HD1 ILE 24 HD13 ILE 24 -7.364 -5.301 -2.819 191 H LEU 25 H LEU 25 -4.662 0.735 -3.584 192 HA LEU 25 HA LEU 25 -5.890 2.897 -1.913 193 1HB LEU 25 HB2 LEU 25 -3.202 2.623 -3.244 194 2HB LEU 25 HB3 LEU 25 -3.955 4.200 -3.120 195 HG LEU 25 HG LEU 25 -3.506 4.555 -1.061 196 1HD1 LEU 25 HD11 LEU 25 -3.754 1.655 -0.489 197 2HD1 LEU 25 HD12 LEU 25 -3.189 2.852 0.715 198 3HD1 LEU 25 HD13 LEU 25 -4.789 3.009 -0.041 199 1HD2 LEU 25 HD21 LEU 25 -1.382 3.976 -2.346 200 2HD2 LEU 25 HD22 LEU 25 -1.256 4.113 -0.592 201 3HD2 LEU 25 HD23 LEU 25 -1.286 2.514 -1.352 202 H HIS 26 H HIS 26 -7.683 3.294 -3.121 203 HA HIS 26 HA HIS 26 -8.961 4.022 -4.838 204 1HB HIS 26 HB2 HIS 26 -6.431 4.972 -6.200 205 2HB HIS 26 HB3 HIS 26 -8.078 5.556 -6.442 206 HD1 HIS 26 HD1 HIS 26 -9.015 7.254 -4.489 207 HD2 HIS 26 HD2 HIS 26 -5.071 5.861 -4.157 208 HE1 HIS 26 HE1 HIS 26 -7.865 8.742 -2.761 209 H TYR 27 H TYR 27 -8.624 1.382 -4.955 210 HA TYR 27 HA TYR 27 -8.872 -0.427 -6.254 211 1HB TYR 27 HB2 TYR 27 -9.169 1.439 -8.635 212 2HB TYR 27 HB3 TYR 27 -9.743 -0.205 -8.473 213 HD1 TYR 27 HD1 TYR 27 -11.867 -0.707 -7.441 214 HD2 TYR 27 HD2 TYR 27 -10.362 3.325 -7.476 215 HE1 TYR 27 HE1 TYR 27 -13.993 0.079 -6.498 216 HE2 TYR 27 HE2 TYR 27 -12.503 4.118 -6.519 217 HH TYR 27 HH TYR 27 -15.178 1.892 -5.716 218 H LYS 28 H LYS 28 -6.060 1.093 -6.138 219 HA LYS 28 HA LYS 28 -4.735 -0.523 -8.269 220 1HB LYS 28 HB2 LYS 28 -4.031 2.205 -7.158 221 2HB LYS 28 HB3 LYS 28 -3.029 1.278 -8.283 222 1HG LYS 28 HG2 LYS 28 -4.685 1.437 -10.008 223 2HG LYS 28 HG3 LYS 28 -5.910 2.063 -8.895 224 1HD LYS 28 HD2 LYS 28 -4.489 4.075 -8.501 225 2HD LYS 28 HD3 LYS 28 -3.381 3.517 -9.763 226 1HE LYS 28 HE2 LYS 28 -6.389 4.058 -10.101 227 2HE LYS 28 HE3 LYS 28 -5.127 5.215 -10.536 228 1HZ LYS 28 HZ1 LYS 28 -5.955 3.911 -12.433 229 2HZ LYS 28 HZ2 LYS 28 -4.352 3.639 -12.210 230 3HZ LYS 28 HZ3 LYS 28 -5.417 2.523 -11.774 231 H VAL 29 H VAL 29 -2.981 -1.798 -7.602 232 HA VAL 29 HA VAL 29 -2.673 -2.063 -4.686 233 HB VAL 29 HB VAL 29 -1.826 -3.919 -6.920 234 1HG1 VAL 29 HG11 VAL 29 -0.776 -4.125 -4.553 235 2HG1 VAL 29 HG12 VAL 29 -2.394 -4.492 -3.975 236 3HG1 VAL 29 HG13 VAL 29 -1.596 -5.548 -5.172 237 1HG2 VAL 29 HG21 VAL 29 -3.851 -5.209 -6.354 238 2HG2 VAL 29 HG22 VAL 29 -4.369 -3.934 -5.242 239 3HG2 VAL 29 HG23 VAL 29 -4.281 -3.628 -6.993 240 H TYR 30 H TYR 30 -0.760 -1.860 -3.675 241 HA TYR 30 HA TYR 30 1.712 -1.106 -5.180 242 1HB TYR 30 HB2 TYR 30 0.461 0.139 -2.698 243 2HB TYR 30 HB3 TYR 30 2.036 0.565 -3.317 244 HD1 TYR 30 HD1 TYR 30 2.194 1.692 -5.580 245 HD2 TYR 30 HD2 TYR 30 -1.610 0.870 -3.761 246 HE1 TYR 30 HE1 TYR 30 1.082 3.246 -7.183 247 HE2 TYR 30 HE2 TYR 30 -2.707 2.409 -5.373 248 HH TYR 30 HH TYR 30 -0.836 4.432 -7.608 249 H ASP 31 H ASP 31 3.305 -2.608 -4.634 250 HA ASP 31 HA ASP 31 3.217 -3.937 -1.963 251 1HB ASP 31 HB2 ASP 31 3.981 -5.342 -3.889 252 2HB ASP 31 HB3 ASP 31 5.312 -4.207 -4.148 253 H LEU 32 H LEU 32 4.257 -2.951 -0.299 254 HA LEU 32 HA LEU 32 6.520 -1.124 -0.919 255 1HB LEU 32 HB2 LEU 32 4.511 -0.639 1.228 256 2HB LEU 32 HB3 LEU 32 5.723 0.493 0.725 257 HG LEU 32 HG LEU 32 3.765 -0.235 -1.452 258 1HD1 LEU 32 HD11 LEU 32 2.886 1.644 0.705 259 2HD1 LEU 32 HD12 LEU 32 2.006 1.071 -0.736 260 3HD1 LEU 32 HD13 LEU 32 2.360 -0.062 0.546 261 1HD2 LEU 32 HD21 LEU 32 5.757 1.286 -1.652 262 2HD2 LEU 32 HD22 LEU 32 4.211 1.949 -2.188 263 3HD2 LEU 32 HD23 LEU 32 4.893 2.438 -0.612 264 H THR 33 H THR 33 6.330 -3.953 -0.196 265 HA THR 33 HA THR 33 6.554 -4.297 2.641 266 HB THR 33 HB THR 33 5.922 -5.976 0.772 267 HG1 THR 33 HG1 THR 33 7.111 -7.599 2.317 268 1HG2 THR 33 HG21 THR 33 8.862 -6.706 0.891 269 2HG2 THR 33 HG22 THR 33 7.555 -7.519 0.010 270 3HG2 THR 33 HG23 THR 33 8.075 -5.913 -0.496 271 H LYS 34 H LYS 34 8.868 -3.832 0.061 272 HA LYS 34 HA LYS 34 11.170 -3.803 1.981 273 1HB LYS 34 HB2 LYS 34 10.955 -3.991 -1.043 274 2HB LYS 34 HB3 LYS 34 12.476 -3.611 -0.220 275 1HG LYS 34 HG2 LYS 34 12.821 -5.706 0.479 276 2HG LYS 34 HG3 LYS 34 11.162 -5.912 1.042 277 1HD LYS 34 HD2 LYS 34 10.390 -6.403 -1.233 278 2HD LYS 34 HD3 LYS 34 12.035 -6.168 -1.864 279 1HE LYS 34 HE2 LYS 34 12.879 -8.039 -0.515 280 2HE LYS 34 HE3 LYS 34 11.317 -8.220 0.300 281 1HZ LYS 34 HZ1 LYS 34 10.345 -8.891 -1.759 282 2HZ LYS 34 HZ2 LYS 34 11.760 -8.666 -2.575 283 3HZ LYS 34 HZ3 LYS 34 11.645 -9.840 -1.430 284 H PHE 35 H PHE 35 8.913 -1.903 1.995 285 HA PHE 35 HA PHE 35 10.653 0.445 1.935 286 1HB PHE 35 HB2 PHE 35 8.789 0.086 -0.044 287 2HB PHE 35 HB3 PHE 35 7.811 0.790 1.174 288 HD1 PHE 35 HD1 PHE 35 7.465 3.121 0.792 289 HD2 PHE 35 HD2 PHE 35 11.377 1.433 0.042 290 HE1 PHE 35 HE1 PHE 35 8.350 5.371 0.226 291 HE2 PHE 35 HE2 PHE 35 12.251 3.665 -0.449 292 HZ PHE 35 HZ PHE 35 10.746 5.650 -0.392 293 H LEU 36 H LEU 36 9.077 -1.580 3.942 294 HA LEU 36 HA LEU 36 7.252 0.031 5.326 295 1HB LEU 36 HB2 LEU 36 9.067 -2.220 6.239 296 2HB LEU 36 HB3 LEU 36 7.836 -1.537 7.277 297 HG LEU 36 HG LEU 36 7.182 -2.734 4.544 298 1HD1 LEU 36 HD11 LEU 36 6.449 -4.706 5.838 299 2HD1 LEU 36 HD12 LEU 36 8.165 -4.406 6.110 300 3HD1 LEU 36 HD13 LEU 36 6.975 -3.936 7.348 301 1HD2 LEU 36 HD21 LEU 36 4.896 -2.827 5.767 302 2HD2 LEU 36 HD22 LEU 36 5.565 -1.615 6.857 303 3HD2 LEU 36 HD23 LEU 36 5.450 -1.278 5.110 304 H GLU 37 H GLU 37 10.586 -0.624 6.571 305 HA GLU 37 HA GLU 37 10.518 1.578 8.387 306 1HB GLU 37 HB2 GLU 37 12.662 -0.248 7.308 307 2HB GLU 37 HB3 GLU 37 13.155 1.263 8.075 308 1HG GLU 37 HG2 GLU 37 11.896 0.718 10.105 309 2HG GLU 37 HG3 GLU 37 11.366 -0.819 9.395 310 H GLU 38 H GLU 38 11.497 1.346 4.986 311 HA GLU 38 HA GLU 38 12.906 3.808 4.807 312 1HB GLU 38 HB2 GLU 38 11.309 2.318 2.722 313 2HB GLU 38 HB3 GLU 38 12.477 3.565 2.385 314 1HG GLU 38 HG2 GLU 38 13.800 1.585 4.039 315 2HG GLU 38 HG3 GLU 38 12.961 0.741 2.727 316 H HIS 39 HN HIS 39 9.483 2.940 4.390 317 HA HIS 39 HA HIS 39 8.479 5.185 3.142 318 1HB HIS 39 HB2 HIS 39 7.097 3.299 3.390 319 2HB HIS 39 HB3 HIS 39 7.255 3.302 5.152 320 HD1 HIS 39 HND HIS 39 5.197 4.198 6.314 321 HD2 HIS 39 HD HIS 39 5.840 5.765 2.462 322 HE1 HIS 39 HE HIS 39 3.242 5.741 5.829 323 HA PRO 40 HA PRO 40 9.455 7.946 6.598 324 1HB PRO 40 HB2 PRO 40 9.328 10.354 5.332 325 2HB PRO 40 HB3 PRO 40 10.632 9.168 5.053 326 1HG PRO 40 HG2 PRO 40 8.201 9.667 3.372 327 2HG PRO 40 HG3 PRO 40 9.882 9.444 2.819 328 1HD PRO 40 HD2 PRO 40 7.965 7.440 2.843 329 2HD PRO 40 HD3 PRO 40 9.718 7.130 2.994 330 H GLY 41 H GLY 41 7.347 6.899 7.268 331 1HA GLY 41 HA1 GLY 41 5.442 8.971 8.073 332 2HA GLY 41 HA2 GLY 41 4.782 7.690 7.029 333 H GLY 42 H GLY 42 4.289 5.730 7.974 334 1HA GLY 42 HA1 GLY 42 5.608 4.958 10.520 335 2HA GLY 42 HA2 GLY 42 3.845 4.995 10.448 336 H GLU 43 H GLU 43 6.468 2.992 10.126 337 HA GLU 43 HA GLU 43 5.685 1.275 7.945 338 1HB GLU 43 HB2 GLU 43 7.258 -0.259 8.906 339 2HB GLU 43 HB3 GLU 43 7.929 1.370 8.921 340 1HG GLU 43 HG2 GLU 43 8.621 0.458 10.931 341 2HG GLU 43 HG3 GLU 43 7.268 1.477 11.415 342 H ALA 44 H ALA 44 5.155 1.155 11.501 343 HA ALA 44 HA ALA 44 3.525 -0.982 11.726 344 1HB ALA 44 HB1 ALA 44 2.481 0.138 13.683 345 2HB ALA 44 HB2 ALA 44 4.239 0.356 13.659 346 3HB ALA 44 HB3 ALA 44 3.174 1.691 13.168 347 H VAL 45 H VAL 45 2.288 2.373 11.039 348 HA VAL 45 HA VAL 45 -0.335 1.371 10.541 349 HB VAL 45 HB VAL 45 0.048 3.714 11.114 350 1HG1 VAL 45 HG11 VAL 45 0.608 5.345 9.397 351 2HG1 VAL 45 HG12 VAL 45 1.941 4.205 9.612 352 3HG1 VAL 45 HG13 VAL 45 0.874 4.066 8.195 353 1HG2 VAL 45 HG21 VAL 45 -1.534 3.156 8.564 354 2HG2 VAL 45 HG22 VAL 45 -2.102 2.978 10.237 355 3HG2 VAL 45 HG23 VAL 45 -1.722 4.584 9.595 356 H LEU 46 H LEU 46 2.544 1.903 8.116 357 HA LEU 46 HA LEU 46 0.821 1.122 6.029 358 1HB LEU 46 HB2 LEU 46 3.524 1.736 6.330 359 2HB LEU 46 HB3 LEU 46 3.584 0.045 5.837 360 HG LEU 46 HG LEU 46 1.860 2.115 4.430 361 1HD1 LEU 46 HD11 LEU 46 4.805 1.894 4.294 362 2HD1 LEU 46 HD12 LEU 46 3.965 1.966 2.733 363 3HD1 LEU 46 HD13 LEU 46 3.679 3.227 3.917 364 1HD2 LEU 46 HD21 LEU 46 3.214 -0.356 3.284 365 2HD2 LEU 46 HD22 LEU 46 1.555 -0.382 3.932 366 3HD2 LEU 46 HD23 LEU 46 1.947 0.658 2.569 367 H ARG 47 H ARG 47 2.301 -0.938 8.509 368 HA ARG 47 HA ARG 47 1.731 -3.404 7.090 369 1HB ARG 47 HB2 ARG 47 3.565 -2.797 8.854 370 2HB ARG 47 HB3 ARG 47 2.342 -3.242 10.039 371 1HG ARG 47 HG2 ARG 47 3.402 -4.991 7.749 372 2HG ARG 47 HG3 ARG 47 3.962 -5.026 9.411 373 1HD ARG 47 HD2 ARG 47 1.371 -5.531 9.959 374 2HD ARG 47 HD3 ARG 47 1.308 -5.951 8.254 375 HE ARG 47 HE ARG 47 2.183 -7.946 8.748 376 1HH1 ARG 47 HH11 ARG 47 4.028 -9.120 11.554 377 2HH1 ARG 47 HH12 ARG 47 3.201 -9.629 10.133 378 1HH2 ARG 47 HH21 ARG 47 3.950 -6.863 12.273 379 2HH2 ARG 47 HH22 ARG 47 3.177 -5.701 11.241 380 H ALA 48 H ALA 48 0.170 -1.539 9.676 381 HA ALA 48 HA ALA 48 -1.698 -3.523 10.485 382 1HB ALA 48 HB1 ALA 48 -1.011 -1.483 11.762 383 2HB ALA 48 HB2 ALA 48 -1.949 -0.491 10.629 384 3HB ALA 48 HB3 ALA 48 -2.777 -1.688 11.658 385 H GLN 49 H GLN 49 -1.920 -0.848 8.122 386 HA GLN 49 HA GLN 49 -4.649 -1.584 7.335 387 1HB GLN 49 HB2 GLN 49 -2.662 0.556 6.786 388 2HB GLN 49 HB3 GLN 49 -3.673 0.186 5.419 389 1HG GLN 49 HG2 GLN 49 -4.790 0.835 8.179 390 2HG GLN 49 HG3 GLN 49 -4.597 1.991 6.849 391 1HE2 GLN 49 HE21 GLN 49 -7.174 2.069 7.470 392 2HE2 GLN 49 HE22 GLN 49 -8.095 0.980 6.454 393 H ALA 50 H ALA 50 -1.522 -2.707 6.507 394 HA ALA 50 HA ALA 50 -1.734 -3.202 3.823 395 1HB ALA 50 HB1 ALA 50 0.250 -3.641 5.163 396 2HB ALA 50 HB2 ALA 50 -0.480 -5.121 5.818 397 3HB ALA 50 HB3 ALA 50 -0.107 -4.999 4.088 398 H GLY 51 H GLY 51 -2.351 -4.897 2.510 399 1HA GLY 51 HA1 GLY 51 -3.764 -6.466 1.661 400 2HA GLY 51 HA2 GLY 51 -3.672 -7.298 3.213 401 H GLY 52 H GLY 52 -5.054 -4.174 2.004 402 1HA GLY 52 HA1 GLY 52 -7.773 -4.937 2.406 403 2HA GLY 52 HA2 GLY 52 -7.169 -3.999 3.796 404 H ASP 53 H ASP 53 -9.102 -2.747 2.570 405 HA ASP 53 HA ASP 53 -8.126 -0.949 0.488 406 1HB ASP 53 HB2 ASP 53 -10.720 -1.614 1.431 407 2HB ASP 53 HB3 ASP 53 -10.439 0.034 2.008 408 H ALA 54 H ALA 54 -6.593 0.459 1.014 409 HA ALA 54 HA ALA 54 -6.686 1.791 3.714 410 1HB ALA 54 HB1 ALA 54 -4.285 2.207 3.416 411 2HB ALA 54 HB2 ALA 54 -4.664 0.462 3.470 412 3HB ALA 54 HB3 ALA 54 -4.302 1.231 1.925 413 H THR 55 H THR 55 -7.934 2.213 0.781 414 HA THR 55 HA THR 55 -6.701 4.409 -0.348 415 HB THR 55 HB THR 55 -9.692 3.784 -0.309 416 HG1 THR 55 HG1 THR 55 -8.908 2.032 -1.176 417 1HG2 THR 55 HG21 THR 55 -7.819 5.211 -2.240 418 2HG2 THR 55 HG22 THR 55 -9.522 4.817 -2.606 419 3HG2 THR 55 HG23 THR 55 -9.136 6.001 -1.336 420 H ALA 56 H ALA 56 -9.455 4.513 1.959 421 HA ALA 56 HA ALA 56 -9.536 7.328 2.243 422 1HB ALA 56 HB1 ALA 56 -10.833 6.875 4.275 423 2HB ALA 56 HB2 ALA 56 -11.364 5.877 2.908 424 3HB ALA 56 HB3 ALA 56 -10.372 5.158 4.198 425 H ASN 57 H ASN 57 -7.803 4.840 4.097 426 HA ASN 57 HA ASN 57 -6.724 6.503 6.130 427 1HB ASN 57 HB2 ASN 57 -6.439 3.742 5.220 428 2HB ASN 57 HB3 ASN 57 -4.855 4.392 5.597 429 1HD2 ASN 57 HD21 ASN 57 -4.323 4.822 7.828 430 2HD2 ASN 57 HD22 ASN 57 -5.434 4.385 9.108 431 H PHE 58 H PHE 58 -5.392 5.529 2.982 432 HA PHE 58 HA PHE 58 -2.935 6.953 3.122 433 1HB PHE 58 HB2 PHE 58 -3.330 5.185 1.522 434 2HB PHE 58 HB3 PHE 58 -4.664 6.058 0.790 435 HD1 PHE 58 HD1 PHE 58 -1.014 6.576 1.560 436 HD2 PHE 58 HD2 PHE 58 -4.237 7.211 -1.223 437 HE1 PHE 58 HE1 PHE 58 0.618 7.322 -0.163 438 HE2 PHE 58 HE2 PHE 58 -2.614 7.940 -2.938 439 HZ PHE 58 HZ PHE 58 -0.176 7.994 -2.413 440 H GLU 59 H GLU 59 -6.025 7.867 1.409 441 HA GLU 59 HA GLU 59 -4.957 10.362 0.631 442 1HB GLU 59 HB2 GLU 59 -7.118 10.899 -0.216 443 2HB GLU 59 HB3 GLU 59 -6.743 9.198 -0.514 444 1HG GLU 59 HG2 GLU 59 -8.937 9.011 0.165 445 2HG GLU 59 HG3 GLU 59 -8.076 8.777 1.689 446 H ALA 60 H ALA 60 -6.860 9.486 3.495 447 HA ALA 60 HA ALA 60 -7.255 11.899 4.751 448 1HB ALA 60 HB1 ALA 60 -6.799 10.607 6.897 449 2HB ALA 60 HB2 ALA 60 -7.962 9.857 5.782 450 3HB ALA 60 HB3 ALA 60 -6.313 9.234 5.882 451 H VAL 61 H VAL 61 -4.104 10.312 4.238 452 HA VAL 61 HA VAL 61 -2.703 12.617 5.536 453 HB VAL 61 HB VAL 61 -1.744 9.782 4.948 454 1HG1 VAL 61 HG11 VAL 61 -0.283 12.293 5.866 455 2HG1 VAL 61 HG12 VAL 61 0.294 10.678 6.286 456 3HG1 VAL 61 HG13 VAL 61 0.193 11.147 4.595 457 1HG2 VAL 61 HG21 VAL 61 -3.192 10.029 6.989 458 2HG2 VAL 61 HG22 VAL 61 -1.525 9.587 7.362 459 3HG2 VAL 61 HG23 VAL 61 -2.064 11.264 7.591 460 H GLY 62 H GLY 62 -3.619 13.656 3.527 461 1HA GLY 62 HA1 GLY 62 -3.086 13.171 0.922 462 2HA GLY 62 HA2 GLY 62 -2.974 14.798 1.601 463 H HIS 63 HN HIS 63 -1.234 12.223 0.156 464 HA HIS 63 HA HIS 63 1.450 12.957 1.005 465 1HB HIS 63 HB2 HIS 63 0.297 11.041 -1.073 466 2HB HIS 63 HB3 HIS 63 2.013 11.294 -0.806 467 HD1 HIS 63 HND HIS 63 -0.857 10.283 1.669 468 HD2 HIS 63 HD HIS 63 3.128 9.602 0.604 469 HE1 HIS 63 HE HIS 63 -0.048 8.426 3.180 470 H SER 64 H SER 64 3.128 13.797 -0.326 471 HA SER 64 HA SER 64 2.377 15.806 -2.225 472 1HB SER 64 HB2 SER 64 4.274 16.002 -0.678 473 2HB SER 64 HB3 SER 64 5.107 14.668 -1.493 474 HG SER 64 HG SER 64 5.717 16.849 -2.157 475 H THR 65 H THR 65 3.752 16.019 -4.256 476 HA THR 65 HA THR 65 2.832 14.301 -6.297 477 HB THR 65 HB THR 65 5.319 16.033 -6.407 478 HG1 THR 65 HG1 THR 65 3.871 17.751 -6.785 479 1HG2 THR 65 HG21 THR 65 3.159 15.394 -8.467 480 2HG2 THR 65 HG22 THR 65 4.549 16.470 -8.720 481 3HG2 THR 65 HG23 THR 65 4.810 14.739 -8.451 482 H ASP 66 H ASP 66 5.976 14.529 -4.613 483 HA ASP 66 HA ASP 66 7.451 12.683 -6.119 484 1HB ASP 66 HB2 ASP 66 8.104 14.277 -4.118 485 2HB ASP 66 HB3 ASP 66 7.701 12.917 -3.078 486 H ALA 67 H ALA 67 5.471 12.178 -3.254 487 HA ALA 67 HA ALA 67 5.665 9.301 -3.111 488 1HB ALA 67 HB1 ALA 67 4.795 10.100 -1.159 489 2HB ALA 67 HB2 ALA 67 3.880 11.389 -1.948 490 3HB ALA 67 HB3 ALA 67 3.279 9.712 -1.980 491 H ARG 68 H ARG 68 3.349 11.509 -4.673 492 HA ARG 68 HA ARG 68 1.553 9.570 -5.626 493 1HB ARG 68 HB2 ARG 68 1.866 12.359 -5.752 494 2HB ARG 68 HB3 ARG 68 1.842 11.887 -7.440 495 1HG ARG 68 HG2 ARG 68 -0.386 11.249 -7.330 496 2HG ARG 68 HG3 ARG 68 -0.287 10.712 -5.644 497 1HD ARG 68 HD2 ARG 68 -0.156 12.973 -4.808 498 2HD ARG 68 HD3 ARG 68 -0.193 13.657 -6.424 499 HE ARG 68 HE ARG 68 -2.379 12.540 -4.811 500 1HH1 ARG 68 HH11 ARG 68 -4.851 13.284 -7.210 501 2HH1 ARG 68 HH12 ARG 68 -4.545 12.794 -5.576 502 1HH2 ARG 68 HH21 ARG 68 -3.014 13.700 -8.673 503 2HH2 ARG 68 HH22 ARG 68 -1.406 13.432 -8.072 504 H GLU 69 H GLU 69 4.653 10.660 -6.912 505 HA GLU 69 HA GLU 69 4.458 9.130 -9.417 506 1HB GLU 69 HB2 GLU 69 6.285 11.056 -8.093 507 2HB GLU 69 HB3 GLU 69 7.044 9.968 -9.241 508 1HG GLU 69 HG2 GLU 69 4.499 11.492 -9.954 509 2HG GLU 69 HG3 GLU 69 6.099 12.221 -10.103 510 H LEU 70 H LEU 70 6.247 8.939 -6.349 511 HA LEU 70 HA LEU 70 7.764 6.690 -6.877 512 1HB LEU 70 HB2 LEU 70 8.083 8.280 -5.045 513 2HB LEU 70 HB3 LEU 70 6.619 7.662 -4.277 514 HG LEU 70 HG LEU 70 7.652 5.984 -3.256 515 1HD1 LEU 70 HD11 LEU 70 9.308 5.644 -5.749 516 2HD1 LEU 70 HD12 LEU 70 9.541 4.675 -4.274 517 3HD1 LEU 70 HD13 LEU 70 7.969 4.663 -5.090 518 1HD2 LEU 70 HD21 LEU 70 9.983 6.433 -2.680 519 2HD2 LEU 70 HD22 LEU 70 10.140 7.541 -4.058 520 3HD2 LEU 70 HD23 LEU 70 9.057 7.948 -2.706 521 H SER 71 H SER 71 4.698 6.839 -5.153 522 HA SER 71 HA SER 71 3.933 4.202 -4.897 523 1HB SER 71 HB2 SER 71 1.599 4.955 -5.189 524 2HB SER 71 HB3 SER 71 2.554 6.024 -4.141 525 HG SER 71 HG SER 71 2.742 7.480 -5.764 526 H LYS 72 H LYS 72 3.558 6.074 -8.005 527 HA LYS 72 HA LYS 72 2.553 3.891 -9.510 528 1HB LYS 72 HB2 LYS 72 4.298 6.213 -10.436 529 2HB LYS 72 HB3 LYS 72 3.533 5.068 -11.502 530 1HG LYS 72 HG2 LYS 72 1.982 6.800 -9.510 531 2HG LYS 72 HG3 LYS 72 2.342 7.227 -11.186 532 1HD LYS 72 HD2 LYS 72 1.310 4.944 -11.835 533 2HD LYS 72 HD3 LYS 72 0.649 4.902 -10.185 534 1HE LYS 72 HE2 LYS 72 -0.598 6.964 -10.577 535 2HE LYS 72 HE3 LYS 72 0.209 7.216 -12.136 536 1HZ LYS 72 HZ1 LYS 72 -1.557 4.956 -11.529 537 2HZ LYS 72 HZ2 LYS 72 -1.961 6.287 -12.426 538 3HZ LYS 72 HZ3 LYS 72 -0.809 5.244 -12.967 539 H THR 73 H THR 73 5.938 4.812 -8.799 540 HA THR 73 HA THR 73 7.143 2.714 -10.363 541 HB THR 73 HB THR 73 8.094 4.620 -8.230 542 HG1 THR 73 HG1 THR 73 9.408 5.203 -9.944 543 1HG2 THR 73 HG21 THR 73 9.261 2.609 -7.545 544 2HG2 THR 73 HG22 THR 73 9.736 2.272 -9.229 545 3HG2 THR 73 HG23 THR 73 10.368 3.702 -8.381 546 H PHE 74 H PHE 74 5.561 2.713 -7.285 547 HA PHE 74 HA PHE 74 6.461 -0.093 -6.741 548 1HB PHE 74 HB2 PHE 74 4.958 1.945 -5.065 549 2HB PHE 74 HB3 PHE 74 5.079 0.252 -4.620 550 HD1 PHE 74 HD1 PHE 74 6.438 3.242 -3.727 551 HD2 PHE 74 HD2 PHE 74 7.580 -0.766 -4.828 552 HE1 PHE 74 HE1 PHE 74 8.515 3.446 -2.381 553 HE2 PHE 74 HE2 PHE 74 9.707 -0.502 -3.591 554 HZ PHE 74 HZ PHE 74 10.170 1.600 -2.363 555 H ILE 75 H ILE 75 4.194 1.264 -8.725 556 HA ILE 75 HA ILE 75 1.868 -0.169 -7.856 557 HB ILE 75 HB ILE 75 2.200 1.777 -9.609 558 1HG1 ILE 75 HG12 ILE 75 -0.008 -0.260 -9.438 559 2HG1 ILE 75 HG13 ILE 75 0.232 1.271 -8.553 560 1HG2 ILE 75 HG21 ILE 75 3.318 0.311 -11.326 561 2HG2 ILE 75 HG22 ILE 75 1.796 -0.611 -11.443 562 3HG2 ILE 75 HG23 ILE 75 1.861 1.106 -11.904 563 1HD1 ILE 75 HD11 ILE 75 -1.415 1.674 -10.201 564 2HD1 ILE 75 HD12 ILE 75 0.087 2.511 -10.674 565 3HD1 ILE 75 HD13 ILE 75 -0.399 0.993 -11.488 566 H ILE 76 H ILE 76 1.424 -2.304 -7.994 567 HA ILE 76 HA ILE 76 3.244 -4.051 -9.643 568 HB ILE 76 HB ILE 76 2.333 -5.846 -8.126 569 1HG1 ILE 76 HG12 ILE 76 1.566 -3.532 -6.293 570 2HG1 ILE 76 HG13 ILE 76 0.392 -4.394 -7.287 571 1HG2 ILE 76 HG21 ILE 76 3.846 -4.740 -6.153 572 2HG2 ILE 76 HG22 ILE 76 4.526 -5.357 -7.666 573 3HG2 ILE 76 HG23 ILE 76 4.243 -3.622 -7.451 574 1HD1 ILE 76 HD11 ILE 76 1.104 -5.132 -4.764 575 2HD1 ILE 76 HD12 ILE 76 0.453 -6.247 -5.996 576 3HD1 ILE 76 HD13 ILE 76 2.198 -6.150 -5.700 577 H GLY 77 H GLY 77 0.026 -2.785 -9.472 578 1HA GLY 77 HA1 GLY 77 -0.843 -3.461 -11.911 579 2HA GLY 77 HA2 GLY 77 -1.220 -4.937 -10.990 580 H GLU 78 H GLU 78 -3.447 -4.672 -10.840 581 HA GLU 78 HA GLU 78 -4.431 -2.377 -9.366 582 1HB GLU 78 HB2 GLU 78 -4.741 -2.759 -12.226 583 2HB GLU 78 HB3 GLU 78 -6.306 -2.558 -11.447 584 1HG GLU 78 HG2 GLU 78 -5.745 -0.439 -10.617 585 2HG GLU 78 HG3 GLU 78 -3.992 -0.694 -10.809 586 H LEU 79 H LEU 79 -6.829 -2.576 -8.987 587 HA LEU 79 HA LEU 79 -7.223 -5.024 -7.487 588 1HB LEU 79 HB2 LEU 79 -8.034 -2.826 -6.719 589 2HB LEU 79 HB3 LEU 79 -9.004 -2.680 -8.183 590 HG LEU 79 HG LEU 79 -10.183 -4.902 -7.346 591 1HD1 LEU 79 HD11 LEU 79 -9.551 -5.712 -5.360 592 2HD1 LEU 79 HD12 LEU 79 -8.394 -4.398 -5.120 593 3HD1 LEU 79 HD13 LEU 79 -10.075 -4.198 -4.602 594 1HD2 LEU 79 HD21 LEU 79 -11.840 -3.541 -6.268 595 2HD2 LEU 79 HD22 LEU 79 -10.671 -2.218 -6.069 596 3HD2 LEU 79 HD23 LEU 79 -11.184 -2.755 -7.697 597 H HIS 80 H HIS 80 -8.365 -6.833 -8.087 598 HA HIS 80 HA HIS 80 -8.990 -7.399 -10.738 599 1HB HIS 80 HB2 HIS 80 -8.672 -8.934 -8.686 600 2HB HIS 80 HB3 HIS 80 -10.410 -8.771 -8.449 601 HD1 HIS 80 HD1 HIS 80 -11.783 -10.476 -9.969 602 HD2 HIS 80 HD2 HIS 80 -7.734 -10.064 -10.982 603 HE1 HIS 80 HE1 HIS 80 -11.310 -12.218 -11.742 604 HA PRO 81 HA PRO 81 -12.909 -5.488 -11.452 605 1HB PRO 81 HB2 PRO 81 -13.796 -6.867 -13.645 606 2HB PRO 81 HB3 PRO 81 -12.499 -5.638 -13.677 607 1HG PRO 81 HG2 PRO 81 -12.175 -8.646 -13.477 608 2HG PRO 81 HG3 PRO 81 -11.335 -7.526 -14.597 609 1HD PRO 81 HD2 PRO 81 -10.177 -8.368 -12.346 610 2HD PRO 81 HD3 PRO 81 -10.000 -6.657 -12.838 611 H ASP 82 H ASP 82 -12.551 -8.685 -10.306 612 HA ASP 82 HA ASP 82 -15.421 -9.282 -10.131 613 1HB ASP 82 HB2 ASP 82 -13.610 -11.033 -10.421 614 2HB ASP 82 HB3 ASP 82 -13.131 -10.687 -8.718 615 H ASP 83 H ASP 83 -12.962 -7.627 -8.238 616 HA ASP 83 HA ASP 83 -14.285 -7.872 -5.650 617 1HB ASP 83 HB2 ASP 83 -11.911 -7.660 -5.708 618 2HB ASP 83 HB3 ASP 83 -11.997 -6.222 -6.751 619 H ARG 84 H ARG 84 -13.757 -5.291 -8.012 620 HA ARG 84 HA ARG 84 -15.193 -3.287 -6.657 621 1HB ARG 84 HB2 ARG 84 -14.941 -1.978 -8.682 622 2HB ARG 84 HB3 ARG 84 -13.459 -2.893 -8.362 623 1HG ARG 84 HG2 ARG 84 -14.347 -4.659 -10.007 624 2HG ARG 84 HG3 ARG 84 -15.656 -3.552 -10.384 625 1HD ARG 84 HD2 ARG 84 -13.973 -3.308 -12.069 626 2HD ARG 84 HD3 ARG 84 -14.076 -1.828 -11.084 627 HE ARG 84 HE ARG 84 -12.047 -3.655 -10.088 628 1HH1 ARG 84 HH11 ARG 84 -9.367 -1.802 -11.503 629 2HH1 ARG 84 HH12 ARG 84 -9.767 -3.191 -10.554 630 1HH2 ARG 84 HH21 ARG 84 -11.047 -0.819 -12.854 631 2HH2 ARG 84 HH22 ARG 84 -12.700 -1.305 -12.622 632 HHA HEM 201 HGM HEM 201 4.849 11.005 4.988 633 HHB HEM 201 HDM HEM 201 5.929 7.813 -0.513 634 HHC HEM 201 HAM HEM 201 0.903 3.989 0.777 635 HHD HEM 201 HBM HEM 201 0.258 6.778 6.581 636 1HMA HEM 201 HM81 HEM 201 8.093 10.660 0.845 637 2HMA HEM 201 HM82 HEM 201 7.732 9.184 -0.041 638 3HMA HEM 201 HM83 HEM 201 6.827 10.679 -0.387 639 1HAA HEM 201 HAA1 HEM 201 6.755 11.924 3.826 640 2HAA HEM 201 HAA2 HEM 201 7.109 12.202 2.122 641 1HBA HEM 201 HBA1 HEM 201 5.578 13.875 3.090 642 2HBA HEM 201 HBA2 HEM 201 4.364 12.635 3.373 643 1HMB HEM 201 HM11 HEM 201 4.835 6.722 -2.722 644 2HMB HEM 201 HM12 HEM 201 5.963 5.647 -1.870 645 3HMB HEM 201 HM13 HEM 201 4.623 4.964 -2.788 646 HAB HEM 201 HT2A HEM 201 2.427 3.045 -1.362 647 1HBB HEM 201 HV2C HEM 201 0.968 5.452 -2.436 648 2HBB HEM 201 HV2T HEM 201 0.834 3.647 -2.932 649 1HMC HEM 201 HM31 HEM 201 -0.705 2.437 3.164 650 2HMC HEM 201 HM32 HEM 201 -2.080 3.556 3.094 651 3HMC HEM 201 HM33 HEM 201 -1.055 3.340 1.671 652 HAC HEM 201 HT4A HEM 201 -1.416 3.786 5.932 653 1HBC HEM 201 HV4C HEM 201 -2.126 6.740 5.449 654 2HBC HEM 201 HV4T HEM 201 -2.949 5.560 6.626 655 1HMD HEM 201 HM51 HEM 201 1.009 7.689 8.460 656 2HMD HEM 201 HM52 HEM 201 2.168 8.849 9.086 657 3HMD HEM 201 HM53 HEM 201 0.637 9.425 8.404 658 1HAD HEM 201 HAD1 HEM 201 3.514 10.573 8.506 659 2HAD HEM 201 HAD2 HEM 201 4.656 10.933 7.235 660 1HBD HEM 201 HBD1 HEM 201 2.671 12.298 6.231 661 2HBD HEM 201 HBD2 HEM 201 2.071 12.234 7.898 Start of MODEL 12 1 1H ALA 3 H1 ALA 3 3.211 -6.783 -18.538 2 2H ALA 3 H2 ALA 3 2.601 -8.246 -18.902 3 3H ALA 3 H3 ALA 3 3.146 -7.275 -20.137 4 HA ALA 3 HA ALA 3 0.631 -7.401 -19.641 5 1HB ALA 3 HB1 ALA 3 0.336 -5.027 -20.242 6 2HB ALA 3 HB2 ALA 3 2.038 -4.697 -19.856 7 3HB ALA 3 HB3 ALA 3 1.617 -5.761 -21.219 8 H VAL 4 H VAL 4 -0.893 -5.759 -18.357 9 HA VAL 4 HA VAL 4 0.068 -5.480 -15.545 10 HB VAL 4 HB VAL 4 -2.333 -4.293 -17.009 11 1HG1 VAL 4 HG11 VAL 4 -1.470 -4.038 -14.095 12 2HG1 VAL 4 HG12 VAL 4 -2.689 -3.017 -14.883 13 3HG1 VAL 4 HG13 VAL 4 -2.988 -4.745 -14.696 14 1HG2 VAL 4 HG21 VAL 4 -0.189 -3.172 -17.557 15 2HG2 VAL 4 HG22 VAL 4 -1.198 -2.134 -16.544 16 3HG2 VAL 4 HG23 VAL 4 0.172 -3.005 -15.826 17 H LYS 5 H LYS 5 -1.193 -6.575 -13.930 18 HA LYS 5 HA LYS 5 -3.315 -8.398 -14.823 19 1HB LYS 5 HB2 LYS 5 -1.353 -9.777 -15.008 20 2HB LYS 5 HB3 LYS 5 -0.758 -9.284 -13.414 21 1HG LYS 5 HG2 LYS 5 -2.370 -10.532 -12.265 22 2HG LYS 5 HG3 LYS 5 -3.469 -10.626 -13.653 23 1HD LYS 5 HD2 LYS 5 -2.142 -12.149 -14.845 24 2HD LYS 5 HD3 LYS 5 -0.727 -11.927 -13.815 25 1HE LYS 5 HE2 LYS 5 -3.369 -13.111 -12.814 26 2HE LYS 5 HE3 LYS 5 -2.068 -14.094 -13.500 27 1HZ LYS 5 HZ1 LYS 5 -1.931 -14.018 -11.124 28 2HZ LYS 5 HZ2 LYS 5 -0.608 -13.301 -11.782 29 3HZ LYS 5 HZ3 LYS 5 -1.802 -12.380 -11.120 30 H TYR 6 H TYR 6 -4.811 -8.715 -13.199 31 HA TYR 6 HA TYR 6 -4.729 -6.662 -11.084 32 1HB TYR 6 HB2 TYR 6 -7.016 -8.373 -12.077 33 2HB TYR 6 HB3 TYR 6 -7.055 -6.984 -10.980 34 HD1 TYR 6 HD1 TYR 6 -6.432 -8.012 -14.530 35 HD2 TYR 6 HD2 TYR 6 -7.190 -4.754 -11.816 36 HE1 TYR 6 HE1 TYR 6 -6.506 -6.430 -16.438 37 HE2 TYR 6 HE2 TYR 6 -7.372 -3.203 -13.730 38 HH TYR 6 HH TYR 6 -6.968 -2.916 -15.959 39 H TYR 7 H TYR 7 -5.624 -7.184 -8.945 40 HA TYR 7 HA TYR 7 -5.300 -10.033 -8.122 41 1HB TYR 7 HB2 TYR 7 -4.398 -7.661 -6.477 42 2HB TYR 7 HB3 TYR 7 -4.137 -9.362 -6.148 43 HD1 TYR 7 HD1 TYR 7 -3.026 -6.380 -7.944 44 HD2 TYR 7 HD2 TYR 7 -2.444 -10.634 -7.612 45 HE1 TYR 7 HE1 TYR 7 -0.995 -6.204 -9.297 46 HE2 TYR 7 HE2 TYR 7 -0.377 -10.445 -8.991 47 HH TYR 7 HH TYR 7 0.676 -7.327 -10.426 48 H THR 8 H THR 8 -6.821 -10.748 -6.648 49 HA THR 8 HA THR 8 -9.216 -9.151 -6.247 50 HB THR 8 HB THR 8 -9.744 -11.443 -5.048 51 HG1 THR 8 HG1 THR 8 -8.262 -13.057 -5.545 52 1HG2 THR 8 HG21 THR 8 -9.091 -11.350 -8.036 53 2HG2 THR 8 HG22 THR 8 -10.154 -12.532 -7.244 54 3HG2 THR 8 HG23 THR 8 -10.619 -10.824 -7.290 55 H LEU 9 H LEU 9 -10.019 -8.599 -4.202 56 HA LEU 9 HA LEU 9 -8.283 -7.462 -2.406 57 1HB LEU 9 HB2 LEU 9 -10.910 -7.447 -2.743 58 2HB LEU 9 HB3 LEU 9 -10.927 -8.521 -1.375 59 HG LEU 9 HG LEU 9 -9.384 -5.879 -1.300 60 1HD1 LEU 9 HD11 LEU 9 -12.325 -6.274 -0.664 61 2HD1 LEU 9 HD12 LEU 9 -11.365 -4.829 -0.268 62 3HD1 LEU 9 HD13 LEU 9 -11.627 -5.278 -1.957 63 1HD2 LEU 9 HD21 LEU 9 -10.669 -7.563 0.897 64 2HD2 LEU 9 HD22 LEU 9 -8.927 -7.458 0.558 65 3HD2 LEU 9 HD23 LEU 9 -9.798 -6.034 1.131 66 H GLU 10 H GLU 10 -9.799 -10.614 -2.166 67 HA GLU 10 HA GLU 10 -8.825 -11.637 0.216 68 1HB GLU 10 HB2 GLU 10 -10.369 -12.746 -1.423 69 2HB GLU 10 HB3 GLU 10 -8.974 -13.186 -2.396 70 1HG GLU 10 HG2 GLU 10 -9.641 -15.071 -1.019 71 2HG GLU 10 HG3 GLU 10 -8.054 -14.504 -0.490 72 H GLU 11 H GLU 11 -7.203 -12.088 -2.934 73 HA GLU 11 HA GLU 11 -4.843 -13.249 -1.881 74 1HB GLU 11 HB2 GLU 11 -5.790 -12.404 -4.494 75 2HB GLU 11 HB3 GLU 11 -4.140 -11.823 -4.277 76 1HG GLU 11 HG2 GLU 11 -4.198 -14.074 -5.286 77 2HG GLU 11 HG3 GLU 11 -3.375 -14.088 -3.719 78 H ILE 12 H ILE 12 -5.571 -9.833 -2.648 79 HA ILE 12 HA ILE 12 -3.022 -8.823 -1.846 80 HB ILE 12 HB ILE 12 -5.739 -7.474 -1.654 81 1HG1 ILE 12 HG12 ILE 12 -3.724 -7.210 -3.939 82 2HG1 ILE 12 HG13 ILE 12 -5.016 -8.385 -4.000 83 1HG2 ILE 12 HG21 ILE 12 -4.623 -5.384 -1.587 84 2HG2 ILE 12 HG22 ILE 12 -3.701 -6.360 -0.449 85 3HG2 ILE 12 HG23 ILE 12 -3.076 -6.089 -2.077 86 1HD1 ILE 12 HD11 ILE 12 -5.395 -5.393 -3.760 87 2HD1 ILE 12 HD12 ILE 12 -5.724 -6.398 -5.176 88 3HD1 ILE 12 HD13 ILE 12 -6.700 -6.606 -3.733 89 H GLN 13 H GLN 13 -5.956 -9.497 0.048 90 HA GLN 13 HA GLN 13 -5.177 -8.568 2.549 91 1HB GLN 13 HB2 GLN 13 -7.264 -10.270 1.491 92 2HB GLN 13 HB3 GLN 13 -6.636 -11.010 2.953 93 1HG GLN 13 HG2 GLN 13 -7.509 -8.093 2.751 94 2HG GLN 13 HG3 GLN 13 -8.592 -9.429 3.165 95 1HE2 GLN 13 HE21 GLN 13 -9.032 -8.506 5.260 96 2HE2 GLN 13 HE22 GLN 13 -7.827 -8.625 6.531 97 H LYS 14 H LYS 14 -4.540 -11.826 1.151 98 HA LYS 14 HA LYS 14 -3.164 -12.879 3.364 99 1HB LYS 14 HB2 LYS 14 -2.403 -13.331 0.449 100 2HB LYS 14 HB3 LYS 14 -2.019 -14.339 1.847 101 1HG LYS 14 HG2 LYS 14 -4.673 -14.422 2.136 102 2HG LYS 14 HG3 LYS 14 -4.649 -13.958 0.425 103 1HD LYS 14 HD2 LYS 14 -3.010 -15.874 0.036 104 2HD LYS 14 HD3 LYS 14 -3.335 -16.388 1.711 105 1HE LYS 14 HE2 LYS 14 -5.790 -16.556 1.118 106 2HE LYS 14 HE3 LYS 14 -5.389 -16.095 -0.543 107 1HZ LYS 14 HZ1 LYS 14 -4.452 -18.522 0.823 108 2HZ LYS 14 HZ2 LYS 14 -5.580 -18.428 -0.377 109 3HZ LYS 14 HZ3 LYS 14 -4.020 -18.045 -0.705 110 H HIS 15 H HIS 15 -2.076 -10.465 1.073 111 HA HIS 15 HA HIS 15 0.746 -10.565 2.038 112 1HB HIS 15 HB2 HIS 15 -0.609 -9.101 -0.236 113 2HB HIS 15 HB3 HIS 15 1.027 -8.740 0.331 114 HD1 HIS 15 HD1 HIS 15 2.727 -9.841 -1.268 115 HD2 HIS 15 HD2 HIS 15 -0.833 -12.025 -0.795 116 HE1 HIS 15 HE1 HIS 15 2.950 -11.905 -2.717 117 H ASN 16 H ASN 16 -0.372 -10.160 4.150 118 HA ASN 16 HA ASN 16 -0.495 -7.217 4.663 119 1HB ASN 16 HB2 ASN 16 -1.927 -7.525 6.530 120 2HB ASN 16 HB3 ASN 16 -2.701 -8.187 5.096 121 1HD2 ASN 16 HD21 ASN 16 -2.381 -10.601 4.808 122 2HD2 ASN 16 HD22 ASN 16 -2.390 -11.643 6.207 123 H ASN 17 H ASN 17 1.868 -8.126 4.406 124 HA ASN 17 HA ASN 17 3.846 -7.667 5.502 125 1HB ASN 17 HB2 ASN 17 2.582 -6.830 7.524 126 2HB ASN 17 HB3 ASN 17 2.672 -8.475 8.174 127 1HD2 ASN 17 HD21 ASN 17 4.367 -8.871 9.531 128 2HD2 ASN 17 HD22 ASN 17 5.884 -7.993 9.462 129 H SER 18 H SER 18 1.931 -10.459 6.680 130 HA SER 18 HA SER 18 3.760 -12.310 7.262 131 1HB SER 18 HB2 SER 18 1.303 -12.882 5.566 132 2HB SER 18 HB3 SER 18 2.023 -13.894 6.841 133 HG SER 18 HG SER 18 0.191 -12.620 7.568 134 H LYS 19 H LYS 19 3.139 -11.209 3.968 135 HA LYS 19 HA LYS 19 5.366 -12.945 3.040 136 1HB LYS 19 HB2 LYS 19 3.170 -13.889 2.297 137 2HB LYS 19 HB3 LYS 19 2.864 -12.406 1.377 138 1HG LYS 19 HG2 LYS 19 4.903 -12.803 0.037 139 2HG LYS 19 HG3 LYS 19 5.318 -14.198 1.056 140 1HD LYS 19 HD2 LYS 19 3.224 -15.339 0.374 141 2HD LYS 19 HD3 LYS 19 2.807 -13.957 -0.654 142 1HE LYS 19 HE2 LYS 19 4.948 -14.331 -1.948 143 2HE LYS 19 HE3 LYS 19 5.267 -15.759 -0.948 144 1HZ LYS 19 HZ1 LYS 19 4.251 -16.346 -3.024 145 2HZ LYS 19 HZ2 LYS 19 3.226 -16.717 -1.793 146 3HZ LYS 19 HZ3 LYS 19 2.945 -15.389 -2.726 147 H SER 20 H SER 20 3.254 -10.253 1.893 148 HA SER 20 HA SER 20 5.573 -8.470 2.045 149 1HB SER 20 HB2 SER 20 3.491 -8.435 -0.171 150 2HB SER 20 HB3 SER 20 4.667 -7.167 0.122 151 HG SER 20 HG SER 20 5.528 -8.236 -1.444 152 H THR 21 H THR 21 4.690 -6.240 2.420 153 HA THR 21 HA THR 21 1.858 -5.995 3.278 154 HB THR 21 HB THR 21 4.255 -4.128 3.196 155 HG1 THR 21 HG1 THR 21 2.597 -5.181 5.239 156 1HG2 THR 21 HG21 THR 21 2.647 -2.544 2.680 157 2HG2 THR 21 HG22 THR 21 1.344 -3.398 3.502 158 3HG2 THR 21 HG23 THR 21 2.581 -2.543 4.447 159 H TRP 22 H TRP 22 0.577 -6.307 1.486 160 HA TRP 22 HA TRP 22 0.907 -4.429 -0.788 161 1HB TRP 22 HB2 TRP 22 -0.844 -6.892 -0.471 162 2HB TRP 22 HB3 TRP 22 -0.910 -5.745 -1.799 163 HD1 TRP 22 HD1 TRP 22 2.624 -6.301 -1.091 164 HE1 TRP 22 HE1 TRP 22 3.686 -7.759 -2.772 165 HE3 TRP 22 HE3 TRP 22 -1.628 -8.013 -3.351 166 HZ2 TRP 22 HZ2 TRP 22 2.817 -9.615 -4.901 167 HZ3 TRP 22 HZ3 TRP 22 -1.483 -9.632 -5.208 168 HH2 TRP 22 HH2 TRP 22 0.735 -10.436 -6.007 169 H LEU 23 H LEU 23 -1.276 -3.446 -1.407 170 HA LEU 23 HA LEU 23 -3.464 -3.359 0.329 171 1HB LEU 23 HB2 LEU 23 -3.106 -0.940 1.159 172 2HB LEU 23 HB3 LEU 23 -2.338 -2.256 2.009 173 HG LEU 23 HG LEU 23 -0.202 -1.756 0.593 174 1HD1 LEU 23 HD11 LEU 23 -1.682 0.856 0.290 175 2HD1 LEU 23 HD12 LEU 23 -0.006 0.540 -0.198 176 3HD1 LEU 23 HD13 LEU 23 -1.333 -0.240 -1.069 177 1HD2 LEU 23 HD21 LEU 23 -1.270 0.203 2.629 178 2HD2 LEU 23 HD22 LEU 23 -0.324 -1.268 2.956 179 3HD2 LEU 23 HD23 LEU 23 0.422 0.075 2.064 180 H ILE 24 H ILE 24 -4.851 -1.340 -0.282 181 HA ILE 24 HA ILE 24 -4.664 -1.015 -3.251 182 HB ILE 24 HB ILE 24 -7.077 -1.436 -1.470 183 1HG1 ILE 24 HG12 ILE 24 -6.294 -3.097 -3.886 184 2HG1 ILE 24 HG13 ILE 24 -5.536 -3.417 -2.328 185 1HG2 ILE 24 HG21 ILE 24 -8.369 -1.376 -3.646 186 2HG2 ILE 24 HG22 ILE 24 -7.687 0.187 -3.217 187 3HG2 ILE 24 HG23 ILE 24 -6.896 -0.814 -4.453 188 1HD1 ILE 24 HD11 ILE 24 -8.558 -3.418 -2.745 189 2HD1 ILE 24 HD12 ILE 24 -7.521 -4.844 -2.594 190 3HD1 ILE 24 HD13 ILE 24 -7.705 -3.741 -1.232 191 H LEU 25 H LEU 25 -4.167 1.073 -3.705 192 HA LEU 25 HA LEU 25 -5.527 3.278 -2.193 193 1HB LEU 25 HB2 LEU 25 -2.771 3.191 -3.427 194 2HB LEU 25 HB3 LEU 25 -3.660 4.640 -3.033 195 HG LEU 25 HG LEU 25 -3.098 4.709 -0.979 196 1HD1 LEU 25 HD11 LEU 25 -3.051 2.888 0.633 197 2HD1 LEU 25 HD12 LEU 25 -4.571 3.027 -0.259 198 3HD1 LEU 25 HD13 LEU 25 -3.414 1.740 -0.680 199 1HD2 LEU 25 HD21 LEU 25 -0.968 4.279 -2.073 200 2HD2 LEU 25 HD22 LEU 25 -0.916 3.684 -0.410 201 3HD2 LEU 25 HD23 LEU 25 -1.090 2.540 -1.745 202 H HIS 26 H HIS 26 -7.231 3.659 -3.466 203 HA HIS 26 HA HIS 26 -8.458 4.361 -5.196 204 1HB HIS 26 HB2 HIS 26 -5.943 5.185 -6.624 205 2HB HIS 26 HB3 HIS 26 -7.592 5.722 -6.936 206 HD1 HIS 26 HD1 HIS 26 -8.687 7.318 -4.857 207 HD2 HIS 26 HD2 HIS 26 -4.591 6.441 -4.881 208 HE1 HIS 26 HE1 HIS 26 -7.574 9.083 -3.387 209 H TYR 27 H TYR 27 -8.393 1.809 -5.115 210 HA TYR 27 HA TYR 27 -8.631 -0.180 -6.156 211 1HB TYR 27 HB2 TYR 27 -8.993 1.489 -8.667 212 2HB TYR 27 HB3 TYR 27 -9.528 -0.169 -8.420 213 HD1 TYR 27 HD1 TYR 27 -11.162 2.243 -9.356 214 HD2 TYR 27 HD2 TYR 27 -10.749 0.186 -5.583 215 HE1 TYR 27 HE1 TYR 27 -13.557 2.637 -8.860 216 HE2 TYR 27 HE2 TYR 27 -13.119 0.587 -5.105 217 HH TYR 27 HH TYR 27 -15.131 1.407 -5.914 218 H LYS 28 H LYS 28 -5.826 1.011 -6.107 219 HA LYS 28 HA LYS 28 -4.671 -0.652 -8.250 220 1HB LYS 28 HB2 LYS 28 -4.917 1.831 -8.582 221 2HB LYS 28 HB3 LYS 28 -3.668 2.071 -7.352 222 1HG LYS 28 HG2 LYS 28 -2.016 1.483 -8.830 223 2HG LYS 28 HG3 LYS 28 -2.949 0.095 -9.424 224 1HD LYS 28 HD2 LYS 28 -2.640 1.472 -11.252 225 2HD LYS 28 HD3 LYS 28 -4.333 1.570 -10.843 226 1HE LYS 28 HE2 LYS 28 -2.308 3.690 -9.991 227 2HE LYS 28 HE3 LYS 28 -3.190 3.729 -11.528 228 1HZ LYS 28 HZ1 LYS 28 -4.465 3.745 -8.876 229 2HZ LYS 28 HZ2 LYS 28 -4.340 5.020 -9.911 230 3HZ LYS 28 HZ3 LYS 28 -5.251 3.709 -10.313 231 H VAL 29 H VAL 29 -2.986 -2.013 -7.619 232 HA VAL 29 HA VAL 29 -2.633 -2.173 -4.727 233 HB VAL 29 HB VAL 29 -1.851 -4.227 -6.798 234 1HG1 VAL 29 HG11 VAL 29 -2.044 -5.768 -4.923 235 2HG1 VAL 29 HG12 VAL 29 -0.990 -4.444 -4.403 236 3HG1 VAL 29 HG13 VAL 29 -2.673 -4.484 -3.868 237 1HG2 VAL 29 HG21 VAL 29 -4.031 -5.298 -6.237 238 2HG2 VAL 29 HG22 VAL 29 -4.530 -3.794 -5.433 239 3HG2 VAL 29 HG23 VAL 29 -4.194 -3.814 -7.180 240 H TYR 30 H TYR 30 -0.766 -1.968 -3.682 241 HA TYR 30 HA TYR 30 1.741 -1.366 -5.205 242 1HB TYR 30 HB2 TYR 30 0.616 -0.214 -2.631 243 2HB TYR 30 HB3 TYR 30 2.203 0.162 -3.275 244 HD1 TYR 30 HD1 TYR 30 -1.443 0.628 -3.697 245 HD2 TYR 30 HD2 TYR 30 2.401 1.384 -5.441 246 HE1 TYR 30 HE1 TYR 30 -2.475 2.174 -5.326 247 HE2 TYR 30 HE2 TYR 30 1.367 3.060 -6.990 248 HH TYR 30 HH TYR 30 -2.104 3.854 -6.783 249 H ASP 31 H ASP 31 3.295 -2.911 -4.857 250 HA ASP 31 HA ASP 31 3.282 -4.533 -2.340 251 1HB ASP 31 HB2 ASP 31 3.520 -5.876 -4.365 252 2HB ASP 31 HB3 ASP 31 4.810 -4.811 -4.944 253 H LEU 32 H LEU 32 4.190 -3.233 -0.775 254 HA LEU 32 HA LEU 32 6.624 -1.699 -1.520 255 1HB LEU 32 HB2 LEU 32 4.864 -1.352 0.914 256 2HB LEU 32 HB3 LEU 32 6.263 -0.433 0.461 257 HG LEU 32 HG LEU 32 4.560 -0.422 -1.842 258 1HD1 LEU 32 HD11 LEU 32 2.490 0.544 -0.951 259 2HD1 LEU 32 HD12 LEU 32 2.720 -1.095 -0.325 260 3HD1 LEU 32 HD13 LEU 32 3.063 0.307 0.711 261 1HD2 LEU 32 HD21 LEU 32 4.974 1.822 0.148 262 2HD2 LEU 32 HD22 LEU 32 6.208 1.299 -1.022 263 3HD2 LEU 32 HD23 LEU 32 4.670 1.926 -1.608 264 H THR 33 H THR 33 5.845 -2.888 1.699 265 HA THR 33 HA THR 33 6.793 -4.157 3.147 266 HB THR 33 HB THR 33 6.414 -5.752 0.925 267 HG1 THR 33 HG1 THR 33 7.072 -6.468 3.586 268 1HG2 THR 33 HG21 THR 33 8.780 -6.113 0.478 269 2HG2 THR 33 HG22 THR 33 9.061 -6.575 2.181 270 3HG2 THR 33 HG23 THR 33 8.024 -7.565 1.139 271 H LYS 34 H LYS 34 9.260 -3.928 0.577 272 HA LYS 34 HA LYS 34 11.521 -3.938 2.387 273 1HB LYS 34 HB2 LYS 34 11.642 -4.491 -0.026 274 2HB LYS 34 HB3 LYS 34 11.169 -2.832 -0.439 275 1HG LYS 34 HG2 LYS 34 13.212 -1.959 0.621 276 2HG LYS 34 HG3 LYS 34 13.662 -3.595 1.147 277 1HD LYS 34 HD2 LYS 34 13.789 -4.325 -1.223 278 2HD LYS 34 HD3 LYS 34 13.282 -2.700 -1.746 279 1HE LYS 34 HE2 LYS 34 15.305 -1.726 -0.636 280 2HE LYS 34 HE3 LYS 34 15.830 -3.356 -0.178 281 1HZ LYS 34 HZ1 LYS 34 16.920 -2.595 -2.159 282 2HZ LYS 34 HZ2 LYS 34 15.972 -3.890 -2.522 283 3HZ LYS 34 HZ3 LYS 34 15.488 -2.369 -2.933 284 H PHE 35 H PHE 35 9.080 -1.655 1.385 285 HA PHE 35 HA PHE 35 10.737 0.709 1.896 286 1HB PHE 35 HB2 PHE 35 8.931 0.303 -0.021 287 2HB PHE 35 HB3 PHE 35 7.821 0.666 1.261 288 HD1 PHE 35 HD1 PHE 35 11.087 2.178 0.095 289 HD2 PHE 35 HD2 PHE 35 6.954 2.852 1.142 290 HE1 PHE 35 HE1 PHE 35 11.392 4.595 -0.259 291 HE2 PHE 35 HE2 PHE 35 7.248 5.269 0.715 292 HZ PHE 35 HZ PHE 35 9.473 6.158 0.036 293 H LEU 36 H LEU 36 9.067 -1.426 3.912 294 HA LEU 36 HA LEU 36 7.373 0.290 5.400 295 1HB LEU 36 HB2 LEU 36 8.983 -2.187 6.157 296 2HB LEU 36 HB3 LEU 36 7.764 -1.468 7.209 297 HG LEU 36 HG LEU 36 7.154 -2.372 4.368 298 1HD1 LEU 36 HD11 LEU 36 6.209 -4.436 5.461 299 2HD1 LEU 36 HD12 LEU 36 7.944 -4.296 5.810 300 3HD1 LEU 36 HD13 LEU 36 6.755 -3.844 7.041 301 1HD2 LEU 36 HD21 LEU 36 5.399 -1.686 6.769 302 2HD2 LEU 36 HD22 LEU 36 5.511 -0.822 5.218 303 3HD2 LEU 36 HD23 LEU 36 4.815 -2.443 5.274 304 H GLU 37 H GLU 37 10.736 -0.694 6.075 305 HA GLU 37 HA GLU 37 11.074 1.087 8.280 306 1HB GLU 37 HB2 GLU 37 12.412 -1.045 7.506 307 2HB GLU 37 HB3 GLU 37 13.373 0.114 6.577 308 1HG GLU 37 HG2 GLU 37 13.832 1.351 8.711 309 2HG GLU 37 HG3 GLU 37 12.870 0.147 9.590 310 H GLU 38 H GLU 38 11.588 1.404 4.790 311 HA GLU 38 HA GLU 38 13.112 3.806 4.785 312 1HB GLU 38 HB2 GLU 38 11.245 2.689 2.683 313 2HB GLU 38 HB3 GLU 38 12.504 3.869 2.403 314 1HG GLU 38 HG2 GLU 38 14.194 2.171 3.218 315 2HG GLU 38 HG3 GLU 38 12.917 0.949 3.186 316 H HIS 39 HN HIS 39 9.648 3.158 4.501 317 HA HIS 39 HA HIS 39 8.741 5.653 3.684 318 1HB HIS 39 HB2 HIS 39 7.363 3.727 3.495 319 2HB HIS 39 HB3 HIS 39 7.380 3.459 5.236 320 HD1 HIS 39 HND HIS 39 5.335 4.315 6.478 321 HD2 HIS 39 HD HIS 39 5.904 6.066 2.695 322 HE1 HIS 39 HE HIS 39 3.249 5.641 5.989 323 HA PRO 40 HA PRO 40 9.841 7.628 7.633 324 1HB PRO 40 HB2 PRO 40 9.364 10.249 6.991 325 2HB PRO 40 HB3 PRO 40 10.778 9.334 6.387 326 1HG PRO 40 HG2 PRO 40 8.130 9.750 4.984 327 2HG PRO 40 HG3 PRO 40 9.766 10.074 4.324 328 1HD PRO 40 HD2 PRO 40 8.425 7.802 3.799 329 2HD PRO 40 HD3 PRO 40 10.185 7.738 4.114 330 H GLY 41 H GLY 41 6.744 7.797 5.973 331 1HA GLY 41 HA1 GLY 41 5.161 8.949 8.041 332 2HA GLY 41 HA2 GLY 41 4.632 7.843 6.761 333 H GLY 42 H GLY 42 6.884 5.932 8.033 334 1HA GLY 42 HA1 GLY 42 7.063 4.832 10.118 335 2HA GLY 42 HA2 GLY 42 5.338 5.039 10.439 336 H GLU 43 H GLU 43 6.790 2.586 10.513 337 HA GLU 43 HA GLU 43 6.100 1.020 8.129 338 1HB GLU 43 HB2 GLU 43 7.195 -0.771 9.229 339 2HB GLU 43 HB3 GLU 43 8.242 0.647 9.312 340 1HG GLU 43 HG2 GLU 43 6.636 -0.597 11.599 341 2HG GLU 43 HG3 GLU 43 8.364 -0.703 11.319 342 H ALA 44 H ALA 44 5.294 1.338 11.575 343 HA ALA 44 HA ALA 44 3.515 -0.734 11.868 344 1HB ALA 44 HB1 ALA 44 4.360 0.635 13.716 345 2HB ALA 44 HB2 ALA 44 3.352 2.003 13.201 346 3HB ALA 44 HB3 ALA 44 2.590 0.508 13.791 347 H VAL 45 H VAL 45 2.570 2.623 10.970 348 HA VAL 45 HA VAL 45 -0.188 2.055 10.721 349 HB VAL 45 HB VAL 45 0.790 4.300 10.955 350 1HG1 VAL 45 HG11 VAL 45 1.655 5.550 9.086 351 2HG1 VAL 45 HG12 VAL 45 2.656 4.110 9.294 352 3HG1 VAL 45 HG13 VAL 45 1.456 4.186 7.981 353 1HG2 VAL 45 HG21 VAL 45 -1.535 4.027 10.266 354 2HG2 VAL 45 HG22 VAL 45 -0.817 5.449 9.487 355 3HG2 VAL 45 HG23 VAL 45 -1.050 3.952 8.565 356 H LEU 46 H LEU 46 2.429 1.931 8.284 357 HA LEU 46 HA LEU 46 0.803 1.213 6.067 358 1HB LEU 46 HB2 LEU 46 3.693 1.231 6.753 359 2HB LEU 46 HB3 LEU 46 3.263 -0.113 5.706 360 HG LEU 46 HG LEU 46 2.639 2.798 5.083 361 1HD1 LEU 46 HD11 LEU 46 4.487 2.663 3.497 362 2HD1 LEU 46 HD12 LEU 46 5.103 2.207 5.100 363 3HD1 LEU 46 HD13 LEU 46 4.767 0.958 3.889 364 1HD2 LEU 46 HD21 LEU 46 1.090 1.251 3.937 365 2HD2 LEU 46 HD22 LEU 46 2.270 1.860 2.771 366 3HD2 LEU 46 HD23 LEU 46 2.447 0.224 3.437 367 H ARG 47 H ARG 47 2.393 -0.706 8.594 368 HA ARG 47 HA ARG 47 1.914 -3.267 7.433 369 1HB ARG 47 HB2 ARG 47 3.635 -2.545 9.135 370 2HB ARG 47 HB3 ARG 47 2.393 -2.608 10.382 371 1HG ARG 47 HG2 ARG 47 3.057 -4.987 8.595 372 2HG ARG 47 HG3 ARG 47 4.072 -4.555 9.956 373 1HD ARG 47 HD2 ARG 47 2.737 -6.218 10.822 374 2HD ARG 47 HD3 ARG 47 2.060 -4.712 11.482 375 HE ARG 47 HE ARG 47 0.620 -5.270 9.128 376 1HH1 ARG 47 HH11 ARG 47 -1.892 -7.321 10.380 377 2HH1 ARG 47 HH12 ARG 47 -1.383 -6.268 9.097 378 1HH2 ARG 47 HH21 ARG 47 -0.487 -7.497 12.333 379 2HH2 ARG 47 HH22 ARG 47 1.058 -6.702 12.306 380 H ALA 48 H ALA 48 0.198 -1.239 9.782 381 HA ALA 48 HA ALA 48 -1.881 -3.067 10.491 382 1HB ALA 48 HB1 ALA 48 -1.268 -1.086 11.802 383 2HB ALA 48 HB2 ALA 48 -1.748 -0.022 10.472 384 3HB ALA 48 HB3 ALA 48 -2.980 -0.994 11.318 385 H GLN 49 H GLN 49 -1.704 -0.404 8.047 386 HA GLN 49 HA GLN 49 -4.322 -0.942 6.965 387 1HB GLN 49 HB2 GLN 49 -1.884 0.691 6.141 388 2HB GLN 49 HB3 GLN 49 -3.360 0.649 5.187 389 1HG GLN 49 HG2 GLN 49 -3.238 1.536 8.105 390 2HG GLN 49 HG3 GLN 49 -3.283 2.600 6.698 391 1HE2 GLN 49 HE21 GLN 49 -5.267 0.880 8.933 392 2HE2 GLN 49 HE22 GLN 49 -6.774 1.148 8.072 393 H ALA 50 H ALA 50 -1.180 -2.361 6.405 394 HA ALA 50 HA ALA 50 -1.348 -3.275 3.849 395 1HB ALA 50 HB1 ALA 50 0.480 -3.742 5.579 396 2HB ALA 50 HB2 ALA 50 -0.522 -5.093 6.147 397 3HB ALA 50 HB3 ALA 50 0.079 -5.077 4.481 398 H GLY 51 H GLY 51 -2.487 -4.787 2.711 399 1HA GLY 51 HA1 GLY 51 -3.553 -7.009 2.804 400 2HA GLY 51 HA2 GLY 51 -4.618 -6.404 4.086 401 H GLY 52 H GLY 52 -4.933 -3.667 2.854 402 1HA GLY 52 HA1 GLY 52 -5.889 -3.467 0.334 403 2HA GLY 52 HA2 GLY 52 -7.143 -4.465 1.107 404 H ASP 53 H ASP 53 -8.404 -2.531 0.523 405 HA ASP 53 HA ASP 53 -9.100 -0.344 0.777 406 1HB ASP 53 HB2 ASP 53 -10.689 -1.993 1.709 407 2HB ASP 53 HB3 ASP 53 -9.958 -1.777 3.311 408 H ALA 54 H ALA 54 -6.846 0.569 1.025 409 HA ALA 54 HA ALA 54 -6.720 2.067 3.631 410 1HB ALA 54 HB1 ALA 54 -4.406 1.204 1.858 411 2HB ALA 54 HB2 ALA 54 -4.313 2.210 3.327 412 3HB ALA 54 HB3 ALA 54 -4.833 0.502 3.434 413 H THR 55 H THR 55 -7.874 2.431 0.666 414 HA THR 55 HA THR 55 -6.391 4.605 -0.441 415 HB THR 55 HB THR 55 -9.356 3.920 -0.719 416 HG1 THR 55 HG1 THR 55 -7.479 2.377 -1.361 417 1HG2 THR 55 HG21 THR 55 -8.857 6.202 -1.526 418 2HG2 THR 55 HG22 THR 55 -7.448 5.592 -2.420 419 3HG2 THR 55 HG23 THR 55 -9.097 5.115 -2.903 420 H ALA 56 H ALA 56 -9.318 4.539 1.648 421 HA ALA 56 HA ALA 56 -9.543 7.333 1.975 422 1HB ALA 56 HB1 ALA 56 -11.335 5.746 2.556 423 2HB ALA 56 HB2 ALA 56 -10.347 5.083 3.878 424 3HB ALA 56 HB3 ALA 56 -10.920 6.763 3.950 425 H ASN 57 H ASN 57 -7.742 4.929 4.006 426 HA ASN 57 HA ASN 57 -7.009 6.906 5.914 427 1HB ASN 57 HB2 ASN 57 -6.933 4.338 6.119 428 2HB ASN 57 HB3 ASN 57 -5.329 4.449 5.377 429 1HD2 ASN 57 HD21 ASN 57 -4.841 7.200 6.823 430 2HD2 ASN 57 HD22 ASN 57 -4.587 6.696 8.484 431 H PHE 58 H PHE 58 -5.283 5.602 3.050 432 HA PHE 58 HA PHE 58 -2.918 7.119 3.185 433 1HB PHE 58 HB2 PHE 58 -3.250 5.282 1.649 434 2HB PHE 58 HB3 PHE 58 -4.557 6.122 0.834 435 HD1 PHE 58 HD1 PHE 58 -0.886 6.040 1.325 436 HD2 PHE 58 HD2 PHE 58 -4.153 7.828 -0.839 437 HE1 PHE 58 HE1 PHE 58 0.691 6.786 -0.446 438 HE2 PHE 58 HE2 PHE 58 -2.577 8.604 -2.570 439 HZ PHE 58 HZ PHE 58 -0.153 8.028 -2.417 440 H GLU 59 H GLU 59 -6.032 8.002 1.497 441 HA GLU 59 HA GLU 59 -4.925 10.518 0.681 442 1HB GLU 59 HB2 GLU 59 -7.018 10.988 -0.309 443 2HB GLU 59 HB3 GLU 59 -6.503 9.331 -0.645 444 1HG GLU 59 HG2 GLU 59 -8.585 8.716 -0.111 445 2HG GLU 59 HG3 GLU 59 -8.108 8.984 1.566 446 H ALA 60 H ALA 60 -6.991 9.521 3.371 447 HA ALA 60 HA ALA 60 -7.559 11.984 4.538 448 1HB ALA 60 HB1 ALA 60 -7.561 10.782 6.714 449 2HB ALA 60 HB2 ALA 60 -8.428 9.898 5.448 450 3HB ALA 60 HB3 ALA 60 -6.799 9.384 5.936 451 H VAL 61 H VAL 61 -4.489 10.108 4.791 452 HA VAL 61 HA VAL 61 -3.136 12.043 6.440 453 HB VAL 61 HB VAL 61 -2.130 9.934 4.499 454 1HG1 VAL 61 HG11 VAL 61 -0.527 11.812 6.267 455 2HG1 VAL 61 HG12 VAL 61 0.113 10.328 5.528 456 3HG1 VAL 61 HG13 VAL 61 -0.409 11.658 4.503 457 1HG2 VAL 61 HG21 VAL 61 -1.995 10.140 7.536 458 2HG2 VAL 61 HG22 VAL 61 -3.205 9.191 6.655 459 3HG2 VAL 61 HG23 VAL 61 -1.493 8.764 6.529 460 H GLY 62 H GLY 62 -3.386 11.684 2.882 461 1HA GLY 62 HA1 GLY 62 -3.605 13.501 1.406 462 2HA GLY 62 HA2 GLY 62 -2.942 14.609 2.605 463 H HIS 63 HN HIS 63 -1.973 11.717 0.742 464 HA HIS 63 HA HIS 63 0.839 12.318 0.798 465 1HB HIS 63 HB2 HIS 63 -0.921 10.325 -0.644 466 2HB HIS 63 HB3 HIS 63 0.807 10.425 -0.957 467 HD1 HIS 63 HND HIS 63 -1.539 9.564 2.040 468 HD2 HIS 63 HD HIS 63 2.444 9.300 0.687 469 HE1 HIS 63 HE HIS 63 -0.304 8.072 3.676 470 H SER 64 H SER 64 1.858 13.836 -0.365 471 HA SER 64 HA SER 64 0.837 15.330 -2.434 472 1HB SER 64 HB2 SER 64 3.788 14.826 -1.884 473 2HB SER 64 HB3 SER 64 3.022 16.335 -2.426 474 HG SER 64 HG SER 64 3.450 16.340 -0.158 475 H THR 65 H THR 65 2.363 15.732 -4.500 476 HA THR 65 HA THR 65 1.823 13.815 -6.486 477 HB THR 65 HB THR 65 3.714 15.257 -7.620 478 HG1 THR 65 HG1 THR 65 4.197 17.121 -6.411 479 1HG2 THR 65 HG21 THR 65 2.206 17.200 -7.852 480 2HG2 THR 65 HG22 THR 65 1.307 15.679 -7.985 481 3HG2 THR 65 HG23 THR 65 1.229 16.628 -6.483 482 H ASP 66 H ASP 66 4.937 14.696 -5.010 483 HA ASP 66 HA ASP 66 6.643 12.802 -6.045 484 1HB ASP 66 HB2 ASP 66 7.189 14.560 -4.297 485 2HB ASP 66 HB3 ASP 66 6.442 13.573 -3.060 486 H ALA 67 H ALA 67 4.704 12.347 -3.150 487 HA ALA 67 HA ALA 67 5.280 9.573 -2.767 488 1HB ALA 67 HB1 ALA 67 4.251 10.895 -0.987 489 2HB ALA 67 HB2 ALA 67 2.778 11.099 -1.951 490 3HB ALA 67 HB3 ALA 67 3.249 9.482 -1.392 491 H ARG 68 H ARG 68 2.616 11.160 -4.506 492 HA ARG 68 HA ARG 68 1.112 8.923 -5.277 493 1HB ARG 68 HB2 ARG 68 0.985 11.707 -5.706 494 2HB ARG 68 HB3 ARG 68 1.248 11.068 -7.315 495 1HG ARG 68 HG2 ARG 68 -1.047 11.076 -7.177 496 2HG ARG 68 HG3 ARG 68 -0.700 9.408 -6.704 497 1HD ARG 68 HD2 ARG 68 -0.727 10.198 -4.274 498 2HD ARG 68 HD3 ARG 68 -1.258 11.776 -4.809 499 HE ARG 68 HE ARG 68 -2.819 9.345 -4.529 500 1HH1 ARG 68 HH11 ARG 68 -5.785 10.762 -5.748 501 2HH1 ARG 68 HH12 ARG 68 -5.109 9.488 -4.777 502 1HH2 ARG 68 HH21 ARG 68 -4.368 12.416 -6.705 503 2HH2 ARG 68 HH22 ARG 68 -2.658 12.303 -6.414 504 H GLU 69 H GLU 69 4.067 10.348 -6.596 505 HA GLU 69 HA GLU 69 4.076 8.746 -9.032 506 1HB GLU 69 HB2 GLU 69 5.736 10.896 -7.784 507 2HB GLU 69 HB3 GLU 69 6.378 10.030 -9.168 508 1HG GLU 69 HG2 GLU 69 3.707 11.523 -9.062 509 2HG GLU 69 HG3 GLU 69 5.187 12.099 -9.830 510 H LEU 70 H LEU 70 6.075 9.004 -6.110 511 HA LEU 70 HA LEU 70 7.864 6.995 -6.486 512 1HB LEU 70 HB2 LEU 70 7.756 8.648 -4.640 513 2HB LEU 70 HB3 LEU 70 6.428 7.729 -3.939 514 HG LEU 70 HG LEU 70 7.766 6.473 -2.781 515 1HD1 LEU 70 HD11 LEU 70 9.660 5.160 -3.667 516 2HD1 LEU 70 HD12 LEU 70 8.066 4.906 -4.393 517 3HD1 LEU 70 HD13 LEU 70 9.314 5.845 -5.271 518 1HD2 LEU 70 HD21 LEU 70 8.966 8.569 -2.529 519 2HD2 LEU 70 HD22 LEU 70 10.045 7.171 -2.382 520 3HD2 LEU 70 HD23 LEU 70 10.039 8.131 -3.882 521 H SER 71 H SER 71 4.666 6.725 -4.971 522 HA SER 71 HA SER 71 4.348 4.023 -4.535 523 1HB SER 71 HB2 SER 71 1.964 4.396 -4.855 524 2HB SER 71 HB3 SER 71 2.772 5.657 -3.911 525 HG SER 71 HG SER 71 2.254 6.061 -6.651 526 H LYS 72 H LYS 72 4.285 5.596 -7.799 527 HA LYS 72 HA LYS 72 3.146 3.488 -9.300 528 1HB LYS 72 HB2 LYS 72 5.324 5.372 -10.178 529 2HB LYS 72 HB3 LYS 72 4.333 4.371 -11.210 530 1HG LYS 72 HG2 LYS 72 2.776 6.170 -9.379 531 2HG LYS 72 HG3 LYS 72 3.805 6.957 -10.573 532 1HD LYS 72 HD2 LYS 72 2.741 5.650 -12.401 533 2HD LYS 72 HD3 LYS 72 1.742 4.808 -11.210 534 1HE LYS 72 HE2 LYS 72 0.415 6.546 -12.249 535 2HE LYS 72 HE3 LYS 72 0.691 6.982 -10.555 536 1HZ LYS 72 HZ1 LYS 72 2.361 8.581 -11.287 537 2HZ LYS 72 HZ2 LYS 72 2.240 8.088 -12.832 538 3HZ LYS 72 HZ3 LYS 72 0.999 8.849 -12.081 539 H THR 73 H THR 73 6.470 4.042 -8.088 540 HA THR 73 HA THR 73 7.743 1.993 -9.606 541 HB THR 73 HB THR 73 8.628 3.316 -7.007 542 HG1 THR 73 HG1 THR 73 9.425 4.926 -8.361 543 1HG2 THR 73 HG21 THR 73 10.200 2.112 -9.326 544 2HG2 THR 73 HG22 THR 73 10.908 3.071 -8.008 545 3HG2 THR 73 HG23 THR 73 10.146 1.516 -7.650 546 H PHE 74 H PHE 74 5.648 1.822 -6.898 547 HA PHE 74 HA PHE 74 6.636 -0.898 -6.124 548 1HB PHE 74 HB2 PHE 74 4.989 1.169 -4.595 549 2HB PHE 74 HB3 PHE 74 5.255 -0.495 -4.085 550 HD1 PHE 74 HD1 PHE 74 7.772 -1.304 -4.002 551 HD2 PHE 74 HD2 PHE 74 6.495 2.811 -3.731 552 HE1 PHE 74 HE1 PHE 74 9.902 -0.712 -2.887 553 HE2 PHE 74 HE2 PHE 74 8.564 3.352 -2.463 554 HZ PHE 74 HZ PHE 74 10.312 1.621 -2.152 555 H ILE 75 H ILE 75 4.571 0.549 -8.259 556 HA ILE 75 HA ILE 75 2.144 -0.771 -7.452 557 HB ILE 75 HB ILE 75 2.652 1.398 -8.889 558 1HG1 ILE 75 HG12 ILE 75 0.534 0.638 -7.872 559 2HG1 ILE 75 HG13 ILE 75 0.392 1.616 -9.336 560 1HG2 ILE 75 HG21 ILE 75 2.099 1.142 -11.251 561 2HG2 ILE 75 HG22 ILE 75 3.554 0.198 -10.891 562 3HG2 ILE 75 HG23 ILE 75 2.006 -0.622 -11.087 563 1HD1 ILE 75 HD11 ILE 75 -0.452 -0.168 -10.558 564 2HD1 ILE 75 HD12 ILE 75 0.453 -1.356 -9.603 565 3HD1 ILE 75 HD13 ILE 75 -0.971 -0.609 -8.900 566 H ILE 76 H ILE 76 1.434 -2.765 -7.929 567 HA ILE 76 HA ILE 76 3.093 -4.471 -9.778 568 HB ILE 76 HB ILE 76 2.071 -6.354 -8.440 569 1HG1 ILE 76 HG12 ILE 76 1.528 -4.218 -6.326 570 2HG1 ILE 76 HG13 ILE 76 0.267 -4.782 -7.423 571 1HG2 ILE 76 HG21 ILE 76 3.912 -4.389 -7.017 572 2HG2 ILE 76 HG22 ILE 76 3.802 -6.139 -6.705 573 3HG2 ILE 76 HG23 ILE 76 4.407 -5.560 -8.250 574 1HD1 ILE 76 HD11 ILE 76 0.478 -5.912 -5.141 575 2HD1 ILE 76 HD12 ILE 76 0.275 -6.945 -6.570 576 3HD1 ILE 76 HD13 ILE 76 1.872 -6.761 -5.815 577 H GLY 77 H GLY 77 -0.125 -3.174 -9.269 578 1HA GLY 77 HA1 GLY 77 -1.086 -3.339 -11.751 579 2HA GLY 77 HA2 GLY 77 -1.410 -4.980 -11.164 580 H GLU 78 H GLU 78 -3.644 -4.538 -11.175 581 HA GLU 78 HA GLU 78 -4.603 -2.360 -9.406 582 1HB GLU 78 HB2 GLU 78 -5.288 -3.095 -12.238 583 2HB GLU 78 HB3 GLU 78 -6.545 -2.429 -11.193 584 1HG GLU 78 HG2 GLU 78 -5.096 -0.517 -10.653 585 2HG GLU 78 HG3 GLU 78 -3.878 -1.113 -11.807 586 H LEU 79 H LEU 79 -6.852 -2.466 -8.821 587 HA LEU 79 HA LEU 79 -7.377 -4.889 -7.371 588 1HB LEU 79 HB2 LEU 79 -8.126 -2.666 -6.603 589 2HB LEU 79 HB3 LEU 79 -9.086 -2.481 -8.084 590 HG LEU 79 HG LEU 79 -10.471 -4.465 -7.403 591 1HD1 LEU 79 HD11 LEU 79 -8.769 -4.246 -4.887 592 2HD1 LEU 79 HD12 LEU 79 -10.312 -5.114 -4.949 593 3HD1 LEU 79 HD13 LEU 79 -8.950 -5.677 -5.922 594 1HD2 LEU 79 HD21 LEU 79 -10.458 -2.371 -5.246 595 2HD2 LEU 79 HD22 LEU 79 -10.967 -2.035 -6.919 596 3HD2 LEU 79 HD23 LEU 79 -11.823 -3.260 -5.981 597 H HIS 80 H HIS 80 -8.509 -6.634 -8.040 598 HA HIS 80 HA HIS 80 -9.115 -7.145 -10.727 599 1HB HIS 80 HB2 HIS 80 -8.912 -8.716 -8.692 600 2HB HIS 80 HB3 HIS 80 -10.648 -8.500 -8.498 601 HD1 HIS 80 HD1 HIS 80 -12.077 -9.922 -10.296 602 HD2 HIS 80 HD2 HIS 80 -7.907 -10.031 -10.763 603 HE1 HIS 80 HE1 HIS 80 -11.614 -11.687 -12.026 604 HA PRO 81 HA PRO 81 -12.810 -4.802 -11.404 605 1HB PRO 81 HB2 PRO 81 -13.870 -6.123 -13.577 606 2HB PRO 81 HB3 PRO 81 -12.489 -4.992 -13.649 607 1HG PRO 81 HG2 PRO 81 -12.379 -8.016 -13.462 608 2HG PRO 81 HG3 PRO 81 -11.489 -6.958 -14.600 609 1HD PRO 81 HD2 PRO 81 -10.335 -7.895 -12.385 610 2HD PRO 81 HD3 PRO 81 -10.041 -6.199 -12.869 611 H ASP 82 H ASP 82 -12.729 -8.207 -10.613 612 HA ASP 82 HA ASP 82 -15.568 -8.686 -10.415 613 1HB ASP 82 HB2 ASP 82 -13.890 -10.506 -10.474 614 2HB ASP 82 HB3 ASP 82 -13.286 -9.973 -8.858 615 H ASP 83 H ASP 83 -13.160 -7.156 -8.322 616 HA ASP 83 HA ASP 83 -14.860 -7.165 -5.946 617 1HB ASP 83 HB2 ASP 83 -12.356 -7.308 -5.924 618 2HB ASP 83 HB3 ASP 83 -12.321 -5.631 -6.510 619 H ARG 84 H ARG 84 -14.689 -5.212 -8.790 620 HA ARG 84 HA ARG 84 -15.132 -2.647 -7.496 621 1HB ARG 84 HB2 ARG 84 -14.323 -3.543 -10.109 622 2HB ARG 84 HB3 ARG 84 -15.841 -2.677 -10.317 623 1HG ARG 84 HG2 ARG 84 -14.183 -1.045 -10.553 624 2HG ARG 84 HG3 ARG 84 -14.856 -0.799 -8.940 625 1HD ARG 84 HD2 ARG 84 -12.475 -0.677 -8.632 626 2HD ARG 84 HD3 ARG 84 -12.974 -2.238 -8.016 627 HE ARG 84 HE ARG 84 -11.690 -3.298 -9.577 628 1HH1 ARG 84 HH11 ARG 84 -9.695 -1.934 -12.177 629 2HH1 ARG 84 HH12 ARG 84 -9.877 -3.250 -11.062 630 1HH2 ARG 84 HH21 ARG 84 -11.106 -0.039 -11.963 631 2HH2 ARG 84 HH22 ARG 84 -12.341 -0.051 -10.733 632 HHA HEM 201 HGM HEM 201 4.316 11.157 5.190 633 HHB HEM 201 HDM HEM 201 5.734 8.036 -0.280 634 HHC HEM 201 HAM HEM 201 1.106 3.731 1.028 635 HHD HEM 201 HBM HEM 201 0.166 6.479 6.813 636 1HMA HEM 201 HM81 HEM 201 7.612 9.528 0.503 637 2HMA HEM 201 HM82 HEM 201 6.492 10.669 -0.275 638 3HMA HEM 201 HM83 HEM 201 7.524 11.199 1.063 639 1HAA HEM 201 HAA1 HEM 201 6.271 12.619 2.273 640 2HAA HEM 201 HAA2 HEM 201 5.064 12.630 3.532 641 1HBA HEM 201 HBA1 HEM 201 7.941 11.697 3.786 642 2HBA HEM 201 HBA2 HEM 201 6.720 11.515 5.074 643 1HMB HEM 201 HM11 HEM 201 4.846 6.632 -2.499 644 2HMB HEM 201 HM12 HEM 201 6.080 5.831 -1.511 645 3HMB HEM 201 HM13 HEM 201 4.903 4.860 -2.395 646 HAB HEM 201 HT2A HEM 201 2.735 2.839 -0.974 647 1HBB HEM 201 HV2C HEM 201 1.251 5.074 -2.328 648 2HBB HEM 201 HV2T HEM 201 1.203 3.225 -2.652 649 1HMC HEM 201 HM31 HEM 201 -1.096 2.321 3.755 650 2HMC HEM 201 HM32 HEM 201 -1.837 3.454 2.618 651 3HMC HEM 201 HM33 HEM 201 -0.406 2.517 2.134 652 HAC HEM 201 HT4A HEM 201 -1.060 3.426 6.314 653 1HBC HEM 201 HV4C HEM 201 -2.384 6.079 5.501 654 2HBC HEM 201 HV4T HEM 201 -2.757 5.023 6.995 655 1HMD HEM 201 HM51 HEM 201 0.028 8.148 8.351 656 2HMD HEM 201 HM52 HEM 201 1.620 7.989 9.128 657 3HMD HEM 201 HM53 HEM 201 0.879 9.583 8.918 658 1HAD HEM 201 HAD1 HEM 201 3.199 10.402 8.703 659 2HAD HEM 201 HAD2 HEM 201 4.029 11.224 7.398 660 1HBD HEM 201 HBD1 HEM 201 1.117 11.676 7.902 661 2HBD HEM 201 HBD2 HEM 201 2.377 12.576 8.749 Start of MODEL 13 1 1H ALA 3 H1 ALA 3 1.983 -8.885 -18.453 2 2H ALA 3 H2 ALA 3 0.804 -9.779 -19.133 3 3H ALA 3 H3 ALA 3 1.881 -8.984 -20.122 4 HA ALA 3 HA ALA 3 1.029 -6.910 -19.609 5 1HB ALA 3 HB1 ALA 3 -0.615 -8.240 -20.964 6 2HB ALA 3 HB2 ALA 3 -1.387 -8.784 -19.458 7 3HB ALA 3 HB3 ALA 3 -1.418 -7.068 -19.908 8 H VAL 4 H VAL 4 -1.018 -5.941 -18.056 9 HA VAL 4 HA VAL 4 0.020 -6.123 -15.391 10 HB VAL 4 HB VAL 4 -1.129 -4.144 -16.309 11 1HG1 VAL 4 HG11 VAL 4 -3.564 -4.018 -16.459 12 2HG1 VAL 4 HG12 VAL 4 -2.975 -5.258 -17.575 13 3HG1 VAL 4 HG13 VAL 4 -3.725 -5.729 -16.036 14 1HG2 VAL 4 HG21 VAL 4 -2.534 -5.254 -13.849 15 2HG2 VAL 4 HG22 VAL 4 -0.917 -4.509 -13.883 16 3HG2 VAL 4 HG23 VAL 4 -2.349 -3.551 -14.306 17 H LYS 5 H LYS 5 -0.864 -7.204 -13.576 18 HA LYS 5 HA LYS 5 -2.848 -9.370 -14.144 19 1HB LYS 5 HB2 LYS 5 -0.637 -10.312 -13.919 20 2HB LYS 5 HB3 LYS 5 -0.367 -9.467 -12.384 21 1HG LYS 5 HG2 LYS 5 -2.006 -10.772 -11.245 22 2HG LYS 5 HG3 LYS 5 -2.721 -11.364 -12.756 23 1HD LYS 5 HD2 LYS 5 -0.747 -12.659 -13.291 24 2HD LYS 5 HD3 LYS 5 0.133 -11.999 -11.895 25 1HE LYS 5 HE2 LYS 5 -1.399 -13.093 -10.332 26 2HE LYS 5 HE3 LYS 5 -2.456 -13.617 -11.651 27 1HZ LYS 5 HZ1 LYS 5 -0.719 -15.041 -12.439 28 2HZ LYS 5 HZ2 LYS 5 0.322 -14.528 -11.270 29 3HZ LYS 5 HZ3 LYS 5 -1.027 -15.374 -10.861 30 H TYR 6 H TYR 6 -4.687 -8.740 -13.201 31 HA TYR 6 HA TYR 6 -4.810 -6.865 -10.994 32 1HB TYR 6 HB2 TYR 6 -7.012 -8.696 -11.956 33 2HB TYR 6 HB3 TYR 6 -7.099 -7.152 -11.088 34 HD1 TYR 6 HD1 TYR 6 -6.786 -5.036 -12.215 35 HD2 TYR 6 HD2 TYR 6 -6.736 -8.738 -14.395 36 HE1 TYR 6 HE1 TYR 6 -6.781 -3.767 -14.367 37 HE2 TYR 6 HE2 TYR 6 -6.781 -7.492 -16.530 38 HH TYR 6 HH TYR 6 -6.796 -5.416 -17.535 39 H TYR 7 H TYR 7 -5.691 -7.340 -8.865 40 HA TYR 7 HA TYR 7 -5.372 -10.169 -7.968 41 1HB TYR 7 HB2 TYR 7 -4.310 -7.735 -6.510 42 2HB TYR 7 HB3 TYR 7 -4.175 -9.420 -6.023 43 HD1 TYR 7 HD1 TYR 7 -2.563 -6.725 -7.756 44 HD2 TYR 7 HD2 TYR 7 -2.866 -11.021 -7.611 45 HE1 TYR 7 HE1 TYR 7 -0.397 -6.921 -8.939 46 HE2 TYR 7 HE2 TYR 7 -0.645 -11.210 -8.690 47 HH TYR 7 HH TYR 7 1.225 -10.053 -9.429 48 H THR 8 H THR 8 -6.847 -10.805 -6.396 49 HA THR 8 HA THR 8 -9.273 -9.193 -6.168 50 HB THR 8 HB THR 8 -10.083 -11.220 -4.985 51 HG1 THR 8 HG1 THR 8 -8.173 -12.954 -5.123 52 1HG2 THR 8 HG21 THR 8 -9.816 -12.908 -6.747 53 2HG2 THR 8 HG22 THR 8 -10.147 -11.317 -7.445 54 3HG2 THR 8 HG23 THR 8 -8.497 -11.986 -7.488 55 H LEU 9 H LEU 9 -10.218 -8.680 -4.038 56 HA LEU 9 HA LEU 9 -8.507 -7.524 -2.160 57 1HB LEU 9 HB2 LEU 9 -11.233 -7.745 -2.518 58 2HB LEU 9 HB3 LEU 9 -11.051 -8.701 -1.099 59 HG LEU 9 HG LEU 9 -10.111 -5.813 -1.508 60 1HD1 LEU 9 HD11 LEU 9 -12.344 -6.940 0.233 61 2HD1 LEU 9 HD12 LEU 9 -11.869 -5.231 0.105 62 3HD1 LEU 9 HD13 LEU 9 -12.558 -6.063 -1.297 63 1HD2 LEU 9 HD21 LEU 9 -9.942 -7.570 0.979 64 2HD2 LEU 9 HD22 LEU 9 -8.575 -6.871 0.076 65 3HD2 LEU 9 HD23 LEU 9 -9.674 -5.814 0.965 66 H GLU 10 H GLU 10 -9.912 -10.763 -2.275 67 HA GLU 10 HA GLU 10 -8.973 -12.037 0.021 68 1HB GLU 10 HB2 GLU 10 -10.533 -13.010 -1.528 69 2HB GLU 10 HB3 GLU 10 -9.397 -12.933 -2.842 70 1HG GLU 10 HG2 GLU 10 -9.613 -15.202 -2.193 71 2HG GLU 10 HG3 GLU 10 -7.989 -14.619 -1.846 72 H GLU 11 H GLU 11 -7.385 -12.254 -3.174 73 HA GLU 11 HA GLU 11 -4.978 -13.377 -2.292 74 1HB GLU 11 HB2 GLU 11 -5.817 -11.771 -4.691 75 2HB GLU 11 HB3 GLU 11 -4.114 -11.961 -4.388 76 1HG GLU 11 HG2 GLU 11 -5.033 -13.727 -5.905 77 2HG GLU 11 HG3 GLU 11 -4.193 -14.346 -4.478 78 H ILE 12 H ILE 12 -5.717 -9.885 -2.760 79 HA ILE 12 HA ILE 12 -3.150 -8.987 -1.979 80 HB ILE 12 HB ILE 12 -5.818 -7.570 -1.716 81 1HG1 ILE 12 HG12 ILE 12 -3.717 -7.185 -3.904 82 2HG1 ILE 12 HG13 ILE 12 -4.946 -8.413 -4.074 83 1HG2 ILE 12 HG21 ILE 12 -3.024 -6.358 -1.901 84 2HG2 ILE 12 HG22 ILE 12 -4.540 -5.484 -1.665 85 3HG2 ILE 12 HG23 ILE 12 -3.906 -6.513 -0.378 86 1HD1 ILE 12 HD11 ILE 12 -6.722 -6.697 -3.780 87 2HD1 ILE 12 HD12 ILE 12 -5.452 -5.449 -3.748 88 3HD1 ILE 12 HD13 ILE 12 -5.707 -6.424 -5.197 89 H GLN 13 H GLN 13 -6.065 -9.697 0.017 90 HA GLN 13 HA GLN 13 -5.041 -8.839 2.471 91 1HB GLN 13 HB2 GLN 13 -7.364 -10.497 1.585 92 2HB GLN 13 HB3 GLN 13 -6.812 -10.676 3.229 93 1HG GLN 13 HG2 GLN 13 -6.857 -8.150 3.487 94 2HG GLN 13 HG3 GLN 13 -7.597 -8.068 1.879 95 1HE2 GLN 13 HE21 GLN 13 -8.998 -6.877 3.819 96 2HE2 GLN 13 HE22 GLN 13 -10.330 -7.881 4.368 97 H LYS 14 H LYS 14 -3.996 -11.567 0.709 98 HA LYS 14 HA LYS 14 -3.072 -13.049 3.084 99 1HB LYS 14 HB2 LYS 14 -2.468 -13.384 0.120 100 2HB LYS 14 HB3 LYS 14 -1.912 -14.458 1.408 101 1HG LYS 14 HG2 LYS 14 -4.169 -15.031 2.052 102 2HG LYS 14 HG3 LYS 14 -4.836 -13.757 1.036 103 1HD LYS 14 HD2 LYS 14 -4.093 -14.972 -1.004 104 2HD LYS 14 HD3 LYS 14 -3.593 -16.339 0.021 105 1HE LYS 14 HE2 LYS 14 -5.868 -16.579 0.920 106 2HE LYS 14 HE3 LYS 14 -6.358 -15.034 0.226 107 1HZ LYS 14 HZ1 LYS 14 -5.914 -17.475 -1.320 108 2HZ LYS 14 HZ2 LYS 14 -7.308 -16.659 -0.924 109 3HZ LYS 14 HZ3 LYS 14 -6.230 -15.990 -1.969 110 H HIS 15 H HIS 15 -1.890 -10.534 0.904 111 HA HIS 15 HA HIS 15 0.910 -10.920 1.797 112 1HB HIS 15 HB2 HIS 15 -0.386 -9.141 -0.279 113 2HB HIS 15 HB3 HIS 15 1.315 -9.041 0.183 114 HD1 HIS 15 HD1 HIS 15 2.909 -10.541 -1.172 115 HD2 HIS 15 HD2 HIS 15 -1.104 -11.772 -1.225 116 HE1 HIS 15 HE1 HIS 15 2.748 -12.432 -2.889 117 H ASN 16 H ASN 16 -0.138 -10.349 4.048 118 HA ASN 16 HA ASN 16 0.652 -7.652 4.858 119 1HB ASN 16 HB2 ASN 16 -1.728 -6.915 5.484 120 2HB ASN 16 HB3 ASN 16 -1.352 -6.896 3.760 121 1HD2 ASN 16 HD21 ASN 16 -2.951 -8.863 6.297 122 2HD2 ASN 16 HD22 ASN 16 -3.925 -9.784 5.110 123 H ASN 17 H ASN 17 1.425 -10.002 5.886 124 HA ASN 17 HA ASN 17 0.516 -9.872 8.625 125 1HB ASN 17 HB2 ASN 17 -1.436 -11.102 7.466 126 2HB ASN 17 HB3 ASN 17 -0.311 -12.432 7.221 127 1HD2 ASN 17 HD21 ASN 17 -2.559 -12.977 8.621 128 2HD2 ASN 17 HD22 ASN 17 -2.232 -13.069 10.343 129 H SER 18 H SER 18 2.940 -9.562 7.708 130 HA SER 18 HA SER 18 4.763 -11.095 8.986 131 1HB SER 18 HB2 SER 18 4.241 -13.143 7.884 132 2HB SER 18 HB3 SER 18 4.123 -12.373 6.291 133 HG SER 18 HG SER 18 6.070 -13.654 6.882 134 H LYS 19 H LYS 19 6.202 -11.117 6.096 135 HA LYS 19 HA LYS 19 7.177 -8.334 6.158 136 1HB LYS 19 HB2 LYS 19 7.825 -10.740 4.392 137 2HB LYS 19 HB3 LYS 19 8.558 -9.142 4.250 138 1HG LYS 19 HG2 LYS 19 9.296 -9.396 6.709 139 2HG LYS 19 HG3 LYS 19 8.726 -11.067 6.604 140 1HD LYS 19 HD2 LYS 19 11.054 -11.169 6.164 141 2HD LYS 19 HD3 LYS 19 10.261 -11.372 4.593 142 1HE LYS 19 HE2 LYS 19 10.678 -8.889 4.142 143 2HE LYS 19 HE3 LYS 19 11.500 -8.789 5.703 144 1HZ LYS 19 HZ1 LYS 19 13.013 -9.032 3.886 145 2HZ LYS 19 HZ2 LYS 19 13.115 -10.361 4.848 146 3HZ LYS 19 HZ3 LYS 19 12.320 -10.442 3.405 147 H SER 20 H SER 20 5.375 -10.470 3.889 148 HA SER 20 HA SER 20 5.389 -8.612 1.761 149 1HB SER 20 HB2 SER 20 4.854 -11.103 1.636 150 2HB SER 20 HB3 SER 20 3.204 -10.657 2.113 151 HG SER 20 HG SER 20 3.520 -9.035 0.262 152 H THR 21 H THR 21 4.242 -6.758 1.506 153 HA THR 21 HA THR 21 1.747 -6.210 3.040 154 HB THR 21 HB THR 21 4.295 -4.572 2.934 155 HG1 THR 21 HG1 THR 21 4.369 -5.041 5.042 156 1HG2 THR 21 HG21 THR 21 2.811 -2.822 2.904 157 2HG2 THR 21 HG22 THR 21 1.465 -3.814 3.460 158 3HG2 THR 21 HG23 THR 21 2.649 -3.214 4.632 159 H TRP 22 H TRP 22 0.559 -6.461 1.174 160 HA TRP 22 HA TRP 22 0.881 -4.447 -0.977 161 1HB TRP 22 HB2 TRP 22 -0.869 -6.926 -0.770 162 2HB TRP 22 HB3 TRP 22 -0.860 -5.768 -2.099 163 HD1 TRP 22 HD1 TRP 22 2.664 -6.321 -1.299 164 HE1 TRP 22 HE1 TRP 22 3.735 -7.764 -2.975 165 HE3 TRP 22 HE3 TRP 22 -1.589 -8.138 -3.466 166 HZ2 TRP 22 HZ2 TRP 22 2.854 -9.701 -5.070 167 HZ3 TRP 22 HZ3 TRP 22 -1.460 -9.745 -5.312 168 HH2 TRP 22 HH2 TRP 22 0.763 -10.561 -6.129 169 H LEU 23 H LEU 23 -1.377 -3.528 -1.602 170 HA LEU 23 HA LEU 23 -3.519 -3.475 0.217 171 1HB LEU 23 HB2 LEU 23 -3.129 -0.992 0.926 172 2HB LEU 23 HB3 LEU 23 -2.405 -2.299 1.831 173 HG LEU 23 HG LEU 23 -0.231 -1.931 0.528 174 1HD1 LEU 23 HD11 LEU 23 -1.607 0.655 -0.220 175 2HD1 LEU 23 HD12 LEU 23 0.084 0.243 -0.529 176 3HD1 LEU 23 HD13 LEU 23 -1.196 -0.624 -1.383 177 1HD2 LEU 23 HD21 LEU 23 -1.383 0.236 2.273 178 2HD2 LEU 23 HD22 LEU 23 -0.421 -1.169 2.783 179 3HD2 LEU 23 HD23 LEU 23 0.333 0.096 1.787 180 H ILE 24 H ILE 24 -4.995 -1.543 -0.397 181 HA ILE 24 HA ILE 24 -4.825 -1.130 -3.357 182 HB ILE 24 HB ILE 24 -7.247 -1.559 -1.583 183 1HG1 ILE 24 HG12 ILE 24 -6.427 -3.175 -4.023 184 2HG1 ILE 24 HG13 ILE 24 -5.770 -3.561 -2.430 185 1HG2 ILE 24 HG21 ILE 24 -8.510 -1.403 -3.787 186 2HG2 ILE 24 HG22 ILE 24 -7.803 0.125 -3.286 187 3HG2 ILE 24 HG23 ILE 24 -7.006 -0.847 -4.540 188 1HD1 ILE 24 HD11 ILE 24 -7.788 -4.917 -2.862 189 2HD1 ILE 24 HD12 ILE 24 -7.988 -3.863 -1.461 190 3HD1 ILE 24 HD13 ILE 24 -8.763 -3.449 -2.995 191 H LEU 25 H LEU 25 -4.250 0.952 -3.707 192 HA LEU 25 HA LEU 25 -5.630 3.118 -2.156 193 1HB LEU 25 HB2 LEU 25 -2.894 3.058 -3.411 194 2HB LEU 25 HB3 LEU 25 -3.775 4.505 -2.984 195 HG LEU 25 HG LEU 25 -3.234 4.515 -0.921 196 1HD1 LEU 25 HD11 LEU 25 -4.637 2.787 -0.240 197 2HD1 LEU 25 HD12 LEU 25 -3.481 1.533 -0.737 198 3HD1 LEU 25 HD13 LEU 25 -3.094 2.626 0.614 199 1HD2 LEU 25 HD21 LEU 25 -1.021 3.540 -0.407 200 2HD2 LEU 25 HD22 LEU 25 -1.158 2.461 -1.802 201 3HD2 LEU 25 HD23 LEU 25 -1.094 4.217 -2.039 202 H HIS 26 H HIS 26 -7.293 3.698 -3.404 203 HA HIS 26 HA HIS 26 -8.516 4.376 -5.182 204 1HB HIS 26 HB2 HIS 26 -5.885 5.225 -6.423 205 2HB HIS 26 HB3 HIS 26 -7.497 5.811 -6.835 206 HD1 HIS 26 HD1 HIS 26 -8.674 7.452 -4.928 207 HD2 HIS 26 HD2 HIS 26 -4.698 6.250 -4.304 208 HE1 HIS 26 HE1 HIS 26 -7.739 8.962 -3.094 209 H TYR 27 H TYR 27 -8.249 1.770 -5.125 210 HA TYR 27 HA TYR 27 -8.552 -0.128 -6.254 211 1HB TYR 27 HB2 TYR 27 -8.649 1.438 -8.841 212 2HB TYR 27 HB3 TYR 27 -9.307 -0.156 -8.480 213 HD1 TYR 27 HD1 TYR 27 -9.844 3.489 -8.101 214 HD2 TYR 27 HD2 TYR 27 -11.375 -0.439 -7.222 215 HE1 TYR 27 HE1 TYR 27 -11.969 4.488 -7.338 216 HE2 TYR 27 HE2 TYR 27 -13.539 0.558 -6.540 217 HH TYR 27 HH TYR 27 -14.081 4.090 -6.481 218 H LYS 28 H LYS 28 -5.655 1.542 -6.570 219 HA LYS 28 HA LYS 28 -4.419 -0.386 -8.465 220 1HB LYS 28 HB2 LYS 28 -3.507 2.188 -7.184 221 2HB LYS 28 HB3 LYS 28 -2.476 1.201 -8.221 222 1HG LYS 28 HG2 LYS 28 -5.172 2.278 -9.151 223 2HG LYS 28 HG3 LYS 28 -3.730 3.297 -9.158 224 1HD LYS 28 HD2 LYS 28 -2.536 1.745 -10.613 225 2HD LYS 28 HD3 LYS 28 -3.891 0.609 -10.542 226 1HE LYS 28 HE2 LYS 28 -5.354 2.494 -11.539 227 2HE LYS 28 HE3 LYS 28 -3.852 3.404 -11.787 228 1HZ LYS 28 HZ1 LYS 28 -4.732 0.896 -13.039 229 2HZ LYS 28 HZ2 LYS 28 -4.397 2.291 -13.768 230 3HZ LYS 28 HZ3 LYS 28 -3.153 1.396 -13.148 231 H VAL 29 H VAL 29 -3.116 -2.021 -7.718 232 HA VAL 29 HA VAL 29 -2.781 -2.348 -4.833 233 HB VAL 29 HB VAL 29 -1.940 -4.257 -7.020 234 1HG1 VAL 29 HG11 VAL 29 -2.687 -4.692 -4.086 235 2HG1 VAL 29 HG12 VAL 29 -2.064 -5.911 -5.217 236 3HG1 VAL 29 HG13 VAL 29 -1.022 -4.590 -4.674 237 1HG2 VAL 29 HG21 VAL 29 -4.610 -4.055 -5.597 238 2HG2 VAL 29 HG22 VAL 29 -4.296 -3.892 -7.340 239 3HG2 VAL 29 HG23 VAL 29 -4.046 -5.451 -6.547 240 H TYR 30 H TYR 30 -0.862 -1.985 -3.827 241 HA TYR 30 HA TYR 30 1.572 -1.389 -5.472 242 1HB TYR 30 HB2 TYR 30 0.574 -0.210 -2.864 243 2HB TYR 30 HB3 TYR 30 2.161 0.108 -3.534 244 HD1 TYR 30 HD1 TYR 30 2.333 1.174 -5.828 245 HD2 TYR 30 HD2 TYR 30 -1.430 0.826 -3.792 246 HE1 TYR 30 HE1 TYR 30 1.329 2.841 -7.389 247 HE2 TYR 30 HE2 TYR 30 -2.419 2.451 -5.362 248 HH TYR 30 HH TYR 30 -2.049 3.926 -7.066 249 H ASP 31 H ASP 31 3.227 -2.802 -5.160 250 HA ASP 31 HA ASP 31 3.279 -4.515 -2.696 251 1HB ASP 31 HB2 ASP 31 3.521 -5.785 -4.753 252 2HB ASP 31 HB3 ASP 31 4.790 -4.677 -5.325 253 H LEU 32 H LEU 32 4.234 -3.280 -1.084 254 HA LEU 32 HA LEU 32 6.634 -1.700 -1.838 255 1HB LEU 32 HB2 LEU 32 4.981 -1.403 0.664 256 2HB LEU 32 HB3 LEU 32 6.336 -0.457 0.133 257 HG LEU 32 HG LEU 32 4.574 -0.440 -2.099 258 1HD1 LEU 32 HD11 LEU 32 3.082 0.194 0.481 259 2HD1 LEU 32 HD12 LEU 32 2.481 0.403 -1.177 260 3HD1 LEU 32 HD13 LEU 32 2.787 -1.222 -0.550 261 1HD2 LEU 32 HD21 LEU 32 4.978 1.761 -0.062 262 2HD2 LEU 32 HD22 LEU 32 6.169 1.308 -1.305 263 3HD2 LEU 32 HD23 LEU 32 4.587 1.903 -1.798 264 H THR 33 H THR 33 5.808 -3.210 1.284 265 HA THR 33 HA THR 33 6.903 -4.469 2.728 266 HB THR 33 HB THR 33 7.468 -5.867 0.124 267 HG1 THR 33 HG1 THR 33 6.013 -6.524 2.463 268 1HG2 THR 33 HG21 THR 33 8.054 -7.850 1.571 269 2HG2 THR 33 HG22 THR 33 9.328 -6.624 1.487 270 3HG2 THR 33 HG23 THR 33 8.291 -6.721 2.930 271 H LYS 34 H LYS 34 9.303 -4.095 0.152 272 HA LYS 34 HA LYS 34 11.539 -4.122 1.997 273 1HB LYS 34 HB2 LYS 34 11.276 -4.784 -0.558 274 2HB LYS 34 HB3 LYS 34 11.696 -3.095 -0.852 275 1HG LYS 34 HG2 LYS 34 13.858 -3.399 0.188 276 2HG LYS 34 HG3 LYS 34 13.364 -4.940 0.922 277 1HD LYS 34 HD2 LYS 34 13.063 -5.944 -1.330 278 2HD LYS 34 HD3 LYS 34 13.633 -4.435 -2.072 279 1HE LYS 34 HE2 LYS 34 15.836 -4.716 -0.978 280 2HE LYS 34 HE3 LYS 34 15.257 -6.155 -0.122 281 1HZ LYS 34 HZ1 LYS 34 16.538 -6.731 -2.056 282 2HZ LYS 34 HZ2 LYS 34 14.989 -7.249 -2.236 283 3HZ LYS 34 HZ3 LYS 34 15.511 -5.916 -3.047 284 H PHE 35 H PHE 35 9.200 -1.818 1.155 285 HA PHE 35 HA PHE 35 10.910 0.575 1.569 286 1HB PHE 35 HB2 PHE 35 9.070 0.174 -0.335 287 2HB PHE 35 HB3 PHE 35 7.981 0.497 0.976 288 HD1 PHE 35 HD1 PHE 35 7.124 2.695 1.014 289 HD2 PHE 35 HD2 PHE 35 11.179 2.036 -0.303 290 HE1 PHE 35 HE1 PHE 35 7.423 5.131 0.687 291 HE2 PHE 35 HE2 PHE 35 11.491 4.466 -0.567 292 HZ PHE 35 HZ PHE 35 9.618 6.030 -0.066 293 H LEU 36 H LEU 36 9.071 -1.641 3.488 294 HA LEU 36 HA LEU 36 7.324 -0.027 4.912 295 1HB LEU 36 HB2 LEU 36 9.056 -2.389 5.746 296 2HB LEU 36 HB3 LEU 36 7.814 -1.732 6.805 297 HG LEU 36 HG LEU 36 7.178 -2.670 3.998 298 1HD1 LEU 36 HD11 LEU 36 8.150 -4.521 5.419 299 2HD1 LEU 36 HD12 LEU 36 6.989 -4.130 6.696 300 3HD1 LEU 36 HD13 LEU 36 6.420 -4.786 5.142 301 1HD2 LEU 36 HD21 LEU 36 5.501 -1.211 4.868 302 2HD2 LEU 36 HD22 LEU 36 4.891 -2.861 4.981 303 3HD2 LEU 36 HD23 LEU 36 5.479 -2.042 6.443 304 H GLU 37 H GLU 37 10.698 -0.725 5.826 305 HA GLU 37 HA GLU 37 10.659 1.081 8.056 306 1HB GLU 37 HB2 GLU 37 12.173 -1.010 7.476 307 2HB GLU 37 HB3 GLU 37 13.210 0.198 6.705 308 1HG GLU 37 HG2 GLU 37 13.423 1.374 8.861 309 2HG GLU 37 HG3 GLU 37 12.220 0.296 9.595 310 H GLU 38 H GLU 38 11.553 1.383 4.654 311 HA GLU 38 HA GLU 38 12.954 3.855 4.743 312 1HB GLU 38 HB2 GLU 38 11.386 2.535 2.505 313 2HB GLU 38 HB3 GLU 38 12.546 3.809 2.289 314 1HG GLU 38 HG2 GLU 38 14.233 2.233 3.518 315 2HG GLU 38 HG3 GLU 38 13.082 0.945 3.125 316 H HIS 39 HN HIS 39 9.555 3.035 4.294 317 HA HIS 39 HA HIS 39 8.476 5.375 3.339 318 1HB HIS 39 HB2 HIS 39 7.226 3.338 3.466 319 2HB HIS 39 HB3 HIS 39 7.346 3.303 5.225 320 HD1 HIS 39 HND HIS 39 5.165 4.032 6.372 321 HD2 HIS 39 HD HIS 39 5.815 5.788 2.594 322 HE1 HIS 39 HE HIS 39 3.140 5.424 5.878 323 HA PRO 40 HA PRO 40 9.220 7.874 7.094 324 1HB PRO 40 HB2 PRO 40 8.940 10.361 6.074 325 2HB PRO 40 HB3 PRO 40 10.315 9.315 5.620 326 1HG PRO 40 HG2 PRO 40 7.733 9.705 4.097 327 2HG PRO 40 HG3 PRO 40 9.396 9.849 3.459 328 1HD PRO 40 HD2 PRO 40 7.904 7.562 3.232 329 2HD PRO 40 HD3 PRO 40 9.679 7.502 3.456 330 H GLY 41 H GLY 41 7.087 6.537 7.452 331 1HA GLY 41 HA1 GLY 41 5.113 8.317 8.571 332 2HA GLY 41 HA2 GLY 41 4.560 7.625 7.028 333 H GLY 42 H GLY 42 6.603 6.079 9.497 334 1HA GLY 42 HA1 GLY 42 6.188 4.419 11.014 335 2HA GLY 42 HA2 GLY 42 4.458 4.658 10.765 336 H GLU 43 H GLU 43 7.103 2.532 10.219 337 HA GLU 43 HA GLU 43 6.146 1.049 8.018 338 1HB GLU 43 HB2 GLU 43 7.594 -0.598 8.598 339 2HB GLU 43 HB3 GLU 43 8.354 0.795 9.307 340 1HG GLU 43 HG2 GLU 43 8.653 -0.850 10.892 341 2HG GLU 43 HG3 GLU 43 7.236 -0.070 11.564 342 H ALA 44 H ALA 44 5.432 0.778 11.481 343 HA ALA 44 HA ALA 44 3.555 -1.213 11.567 344 1HB ALA 44 HB1 ALA 44 3.529 1.401 13.137 345 2HB ALA 44 HB2 ALA 44 2.673 -0.091 13.583 346 3HB ALA 44 HB3 ALA 44 4.447 -0.067 13.546 347 H VAL 45 H VAL 45 2.894 2.242 10.781 348 HA VAL 45 HA VAL 45 0.052 1.956 10.550 349 HB VAL 45 HB VAL 45 2.076 3.958 9.498 350 1HG1 VAL 45 HG11 VAL 45 0.446 4.058 7.809 351 2HG1 VAL 45 HG12 VAL 45 -0.910 3.880 8.961 352 3HG1 VAL 45 HG13 VAL 45 0.047 5.374 8.917 353 1HG2 VAL 45 HG21 VAL 45 1.536 3.958 11.932 354 2HG2 VAL 45 HG22 VAL 45 0.987 5.435 11.123 355 3HG2 VAL 45 HG23 VAL 45 -0.183 4.165 11.534 356 H LEU 46 H LEU 46 2.679 1.843 8.093 357 HA LEU 46 HA LEU 46 0.996 1.217 5.904 358 1HB LEU 46 HB2 LEU 46 3.859 1.272 6.464 359 2HB LEU 46 HB3 LEU 46 3.482 -0.202 5.585 360 HG LEU 46 HG LEU 46 2.770 2.615 4.680 361 1HD1 LEU 46 HD11 LEU 46 4.544 2.335 3.048 362 2HD1 LEU 46 HD12 LEU 46 5.232 1.966 4.645 363 3HD1 LEU 46 HD13 LEU 46 4.813 0.652 3.537 364 1HD2 LEU 46 HD21 LEU 46 2.264 1.496 2.502 365 2HD2 LEU 46 HD22 LEU 46 2.478 -0.089 3.278 366 3HD2 LEU 46 HD23 LEU 46 1.151 0.979 3.772 367 H ARG 47 H ARG 47 2.524 -0.833 8.332 368 HA ARG 47 HA ARG 47 2.036 -3.375 7.152 369 1HB ARG 47 HB2 ARG 47 3.680 -2.571 9.061 370 2HB ARG 47 HB3 ARG 47 2.308 -2.841 10.124 371 1HG ARG 47 HG2 ARG 47 3.508 -4.786 10.256 372 2HG ARG 47 HG3 ARG 47 2.227 -5.241 9.132 373 1HD ARG 47 HD2 ARG 47 3.672 -5.283 7.278 374 2HD ARG 47 HD3 ARG 47 4.822 -4.143 7.978 375 HE ARG 47 HE ARG 47 4.886 -7.018 8.208 376 1HH1 ARG 47 HH11 ARG 47 7.063 -7.140 10.938 377 2HH1 ARG 47 HH12 ARG 47 6.198 -8.037 9.701 378 1HH2 ARG 47 HH21 ARG 47 6.785 -4.640 11.016 379 2HH2 ARG 47 HH22 ARG 47 5.852 -3.969 9.808 380 H ALA 48 H ALA 48 0.291 -1.330 9.449 381 HA ALA 48 HA ALA 48 -1.770 -3.208 10.146 382 1HB ALA 48 HB1 ALA 48 -1.079 -1.349 11.579 383 2HB ALA 48 HB2 ALA 48 -1.563 -0.175 10.344 384 3HB ALA 48 HB3 ALA 48 -2.800 -1.175 11.153 385 H GLN 49 H GLN 49 -1.591 -0.412 7.844 386 HA GLN 49 HA GLN 49 -4.268 -0.902 6.826 387 1HB GLN 49 HB2 GLN 49 -1.916 0.893 6.093 388 2HB GLN 49 HB3 GLN 49 -3.389 0.846 5.144 389 1HG GLN 49 HG2 GLN 49 -3.311 1.513 8.118 390 2HG GLN 49 HG3 GLN 49 -3.411 2.681 6.798 391 1HE2 GLN 49 HE21 GLN 49 -5.283 0.475 8.766 392 2HE2 GLN 49 HE22 GLN 49 -6.809 0.797 7.959 393 H ALA 50 H ALA 50 -1.185 -2.302 6.153 394 HA ALA 50 HA ALA 50 -1.360 -3.223 3.601 395 1HB ALA 50 HB1 ALA 50 -0.113 -5.140 4.347 396 2HB ALA 50 HB2 ALA 50 0.352 -3.784 5.388 397 3HB ALA 50 HB3 ALA 50 -0.776 -5.002 5.985 398 H GLY 51 H GLY 51 -2.621 -4.602 2.430 399 1HA GLY 51 HA1 GLY 51 -3.691 -6.712 2.330 400 2HA GLY 51 HA2 GLY 51 -4.659 -6.353 3.775 401 H GLY 52 H GLY 52 -5.133 -3.498 2.619 402 1HA GLY 52 HA1 GLY 52 -6.300 -3.254 0.220 403 2HA GLY 52 HA2 GLY 52 -7.469 -4.327 1.021 404 H ASP 53 H ASP 53 -8.679 -2.258 0.444 405 HA ASP 53 HA ASP 53 -9.357 -0.119 0.828 406 1HB ASP 53 HB2 ASP 53 -10.967 -1.760 1.765 407 2HB ASP 53 HB3 ASP 53 -10.213 -1.559 3.359 408 H ALA 54 H ALA 54 -6.929 0.473 1.113 409 HA ALA 54 HA ALA 54 -6.708 2.062 3.659 410 1HB ALA 54 HB1 ALA 54 -4.306 2.121 3.230 411 2HB ALA 54 HB2 ALA 54 -4.891 0.443 3.439 412 3HB ALA 54 HB3 ALA 54 -4.511 1.054 1.816 413 H THR 55 H THR 55 -7.920 2.388 0.699 414 HA THR 55 HA THR 55 -6.427 4.499 -0.501 415 HB THR 55 HB THR 55 -9.409 3.833 -0.671 416 HG1 THR 55 HG1 THR 55 -7.588 2.270 -1.362 417 1HG2 THR 55 HG21 THR 55 -7.558 5.523 -2.407 418 2HG2 THR 55 HG22 THR 55 -9.196 5.008 -2.892 419 3HG2 THR 55 HG23 THR 55 -8.981 6.102 -1.517 420 H ALA 56 H ALA 56 -9.282 4.539 1.676 421 HA ALA 56 HA ALA 56 -9.463 7.353 1.911 422 1HB ALA 56 HB1 ALA 56 -10.790 6.861 3.944 423 2HB ALA 56 HB2 ALA 56 -11.263 5.811 2.595 424 3HB ALA 56 HB3 ALA 56 -10.245 5.170 3.903 425 H ASN 57 H ASN 57 -7.704 4.976 4.010 426 HA ASN 57 HA ASN 57 -6.860 6.989 5.815 427 1HB ASN 57 HB2 ASN 57 -6.836 4.465 6.149 428 2HB ASN 57 HB3 ASN 57 -5.294 4.451 5.276 429 1HD2 ASN 57 HD21 ASN 57 -4.783 7.337 6.671 430 2HD2 ASN 57 HD22 ASN 57 -4.318 6.823 8.280 431 H PHE 58 H PHE 58 -5.190 5.536 2.978 432 HA PHE 58 HA PHE 58 -2.815 7.029 3.001 433 1HB PHE 58 HB2 PHE 58 -3.182 5.187 1.490 434 2HB PHE 58 HB3 PHE 58 -4.525 6.009 0.712 435 HD1 PHE 58 HD1 PHE 58 -0.831 6.062 1.146 436 HD2 PHE 58 HD2 PHE 58 -4.193 7.590 -1.075 437 HE1 PHE 58 HE1 PHE 58 0.707 6.875 -0.625 438 HE2 PHE 58 HE2 PHE 58 -2.660 8.415 -2.828 439 HZ PHE 58 HZ PHE 58 -0.202 8.052 -2.616 440 H GLU 59 H GLU 59 -5.931 7.910 1.304 441 HA GLU 59 HA GLU 59 -4.770 10.347 0.403 442 1HB GLU 59 HB2 GLU 59 -6.791 10.844 -0.640 443 2HB GLU 59 HB3 GLU 59 -6.462 9.120 -0.809 444 1HG GLU 59 HG2 GLU 59 -8.723 9.092 -0.356 445 2HG GLU 59 HG3 GLU 59 -8.043 8.869 1.259 446 H ALA 60 H ALA 60 -6.887 9.576 3.153 447 HA ALA 60 HA ALA 60 -7.290 12.093 4.233 448 1HB ALA 60 HB1 ALA 60 -7.405 10.947 6.430 449 2HB ALA 60 HB2 ALA 60 -8.284 10.070 5.165 450 3HB ALA 60 HB3 ALA 60 -6.695 9.491 5.707 451 H VAL 61 H VAL 61 -4.352 10.019 4.635 452 HA VAL 61 HA VAL 61 -2.903 11.890 6.255 453 HB VAL 61 HB VAL 61 -2.033 9.690 4.358 454 1HG1 VAL 61 HG11 VAL 61 -0.185 11.288 4.308 455 2HG1 VAL 61 HG12 VAL 61 -0.250 11.455 6.078 456 3HG1 VAL 61 HG13 VAL 61 0.236 9.924 5.326 457 1HG2 VAL 61 HG21 VAL 61 -1.843 9.957 7.384 458 2HG2 VAL 61 HG22 VAL 61 -3.137 9.088 6.542 459 3HG2 VAL 61 HG23 VAL 61 -1.466 8.523 6.404 460 H GLY 62 H GLY 62 -3.507 11.797 2.763 461 1HA GLY 62 HA1 GLY 62 -3.490 13.897 1.609 462 2HA GLY 62 HA2 GLY 62 -2.004 14.377 2.431 463 H HIS 63 HN HIS 63 -0.096 12.991 2.060 464 HA HIS 63 HA HIS 63 1.493 12.081 0.774 465 1HB HIS 63 HB2 HIS 63 -0.835 10.619 -0.524 466 2HB HIS 63 HB3 HIS 63 0.838 10.408 -1.004 467 HD1 HIS 63 HND HIS 63 -1.478 9.528 1.924 468 HD2 HIS 63 HD HIS 63 2.532 9.246 0.666 469 HE1 HIS 63 HE HIS 63 -0.324 7.913 3.509 470 H SER 64 H SER 64 2.395 13.919 -0.050 471 HA SER 64 HA SER 64 1.421 15.543 -2.040 472 1HB SER 64 HB2 SER 64 4.329 14.916 -1.367 473 2HB SER 64 HB3 SER 64 3.714 16.426 -2.075 474 HG SER 64 HG SER 64 3.867 15.771 0.485 475 H THR 65 H THR 65 2.855 16.023 -4.128 476 HA THR 65 HA THR 65 2.076 14.194 -6.116 477 HB THR 65 HB THR 65 3.830 15.670 -7.411 478 HG1 THR 65 HG1 THR 65 4.531 17.452 -6.177 479 1HG2 THR 65 HG21 THR 65 2.368 17.664 -7.325 480 2HG2 THR 65 HG22 THR 65 1.399 16.181 -7.397 481 3HG2 THR 65 HG23 THR 65 1.582 17.049 -5.857 482 H ASP 66 H ASP 66 5.310 14.879 -4.786 483 HA ASP 66 HA ASP 66 6.920 12.954 -5.943 484 1HB ASP 66 HB2 ASP 66 7.614 14.521 -4.116 485 2HB ASP 66 HB3 ASP 66 6.686 13.623 -2.936 486 H ALA 67 H ALA 67 5.001 12.421 -3.049 487 HA ALA 67 HA ALA 67 5.439 9.625 -2.861 488 1HB ALA 67 HB1 ALA 67 3.565 9.539 -1.326 489 2HB ALA 67 HB2 ALA 67 4.569 10.966 -0.990 490 3HB ALA 67 HB3 ALA 67 3.017 11.147 -1.830 491 H ARG 68 H ARG 68 2.798 11.424 -4.439 492 HA ARG 68 HA ARG 68 1.254 9.173 -5.327 493 1HB ARG 68 HB2 ARG 68 1.459 12.065 -6.201 494 2HB ARG 68 HB3 ARG 68 0.414 10.910 -7.031 495 1HG ARG 68 HG2 ARG 68 -0.840 10.454 -5.087 496 2HG ARG 68 HG3 ARG 68 0.248 11.367 -4.025 497 1HD ARG 68 HD2 ARG 68 -0.638 13.407 -4.708 498 2HD ARG 68 HD3 ARG 68 -0.945 12.820 -6.343 499 HE ARG 68 HE ARG 68 -3.075 12.358 -5.833 500 1HH1 ARG 68 HH11 ARG 68 -4.773 11.869 -2.780 501 2HH1 ARG 68 HH12 ARG 68 -4.959 11.986 -4.502 502 1HH2 ARG 68 HH21 ARG 68 -2.629 12.175 -1.766 503 2HH2 ARG 68 HH22 ARG 68 -1.285 12.429 -2.787 504 H GLU 69 H GLU 69 4.216 10.682 -6.613 505 HA GLU 69 HA GLU 69 4.068 9.100 -9.065 506 1HB GLU 69 HB2 GLU 69 5.762 11.211 -7.869 507 2HB GLU 69 HB3 GLU 69 6.565 10.161 -9.027 508 1HG GLU 69 HG2 GLU 69 3.873 11.540 -9.520 509 2HG GLU 69 HG3 GLU 69 5.432 12.206 -9.987 510 H LEU 70 H LEU 70 6.131 9.153 -6.191 511 HA LEU 70 HA LEU 70 7.719 7.017 -6.597 512 1HB LEU 70 HB2 LEU 70 7.801 8.683 -4.776 513 2HB LEU 70 HB3 LEU 70 6.432 7.875 -4.014 514 HG LEU 70 HG LEU 70 7.638 6.349 -2.998 515 1HD1 LEU 70 HD11 LEU 70 9.664 5.259 -3.917 516 2HD1 LEU 70 HD12 LEU 70 8.145 5.085 -4.815 517 3HD1 LEU 70 HD13 LEU 70 9.410 6.201 -5.413 518 1HD2 LEU 70 HD21 LEU 70 9.919 8.231 -3.731 519 2HD2 LEU 70 HD22 LEU 70 8.747 8.497 -2.421 520 3HD2 LEU 70 HD23 LEU 70 9.872 7.125 -2.343 521 H SER 71 H SER 71 4.655 6.865 -4.865 522 HA SER 71 HA SER 71 4.057 4.184 -4.579 523 1HB SER 71 HB2 SER 71 1.693 4.790 -5.069 524 2HB SER 71 HB3 SER 71 2.524 5.874 -3.921 525 HG SER 71 HG SER 71 2.761 7.383 -5.462 526 H LYS 72 H LYS 72 3.841 5.901 -7.754 527 HA LYS 72 HA LYS 72 2.691 3.667 -9.097 528 1HB LYS 72 HB2 LYS 72 4.153 6.069 -10.213 529 2HB LYS 72 HB3 LYS 72 3.262 4.880 -11.167 530 1HG LYS 72 HG2 LYS 72 1.178 5.398 -10.135 531 2HG LYS 72 HG3 LYS 72 1.924 6.292 -8.823 532 1HD LYS 72 HD2 LYS 72 0.770 7.755 -10.329 533 2HD LYS 72 HD3 LYS 72 2.458 8.165 -10.184 534 1HE LYS 72 HE2 LYS 72 1.539 6.453 -12.518 535 2HE LYS 72 HE3 LYS 72 1.270 8.205 -12.516 536 1HZ LYS 72 HZ1 LYS 72 3.345 7.706 -13.567 537 2HZ LYS 72 HZ2 LYS 72 3.555 8.602 -12.214 538 3HZ LYS 72 HZ3 LYS 72 3.928 7.005 -12.186 539 H THR 73 H THR 73 6.017 4.342 -8.189 540 HA THR 73 HA THR 73 7.266 2.488 -10.010 541 HB THR 73 HB THR 73 8.258 3.547 -7.326 542 HG1 THR 73 HG1 THR 73 8.309 4.662 -9.933 543 1HG2 THR 73 HG21 THR 73 9.754 2.496 -9.752 544 2HG2 THR 73 HG22 THR 73 10.491 3.377 -8.395 545 3HG2 THR 73 HG23 THR 73 9.726 1.813 -8.106 546 H PHE 74 H PHE 74 5.276 2.048 -7.246 547 HA PHE 74 HA PHE 74 6.362 -0.690 -6.700 548 1HB PHE 74 HB2 PHE 74 4.767 1.222 -4.946 549 2HB PHE 74 HB3 PHE 74 5.111 -0.454 -4.557 550 HD1 PHE 74 HD1 PHE 74 7.603 -1.216 -4.557 551 HD2 PHE 74 HD2 PHE 74 6.322 2.887 -4.164 552 HE1 PHE 74 HE1 PHE 74 9.720 -0.664 -3.401 553 HE2 PHE 74 HE2 PHE 74 8.396 3.396 -2.887 554 HZ PHE 74 HZ PHE 74 10.132 1.651 -2.600 555 H ILE 75 H ILE 75 4.137 0.863 -8.577 556 HA ILE 75 HA ILE 75 1.731 -0.511 -7.871 557 HB ILE 75 HB ILE 75 2.259 1.543 -9.447 558 1HG1 ILE 75 HG12 ILE 75 0.037 0.994 -8.743 559 2HG1 ILE 75 HG13 ILE 75 0.088 1.443 -10.450 560 1HG2 ILE 75 HG21 ILE 75 2.090 -0.681 -11.510 561 2HG2 ILE 75 HG22 ILE 75 2.088 1.066 -11.827 562 3HG2 ILE 75 HG23 ILE 75 3.525 0.284 -11.147 563 1HD1 ILE 75 HD11 ILE 75 -0.151 -1.312 -9.277 564 2HD1 ILE 75 HD12 ILE 75 -1.409 -0.404 -10.127 565 3HD1 ILE 75 HD13 ILE 75 -0.003 -1.011 -11.024 566 H ILE 76 H ILE 76 1.148 -2.604 -8.263 567 HA ILE 76 HA ILE 76 2.856 -4.273 -10.104 568 HB ILE 76 HB ILE 76 1.960 -6.187 -8.704 569 1HG1 ILE 76 HG12 ILE 76 1.454 -3.997 -6.626 570 2HG1 ILE 76 HG13 ILE 76 0.167 -4.725 -7.574 571 1HG2 ILE 76 HG21 ILE 76 4.282 -5.288 -8.660 572 2HG2 ILE 76 HG22 ILE 76 3.811 -4.161 -7.377 573 3HG2 ILE 76 HG23 ILE 76 3.790 -5.919 -7.096 574 1HD1 ILE 76 HD11 ILE 76 1.908 -6.683 -6.192 575 2HD1 ILE 76 HD12 ILE 76 0.950 -5.599 -5.163 576 3HD1 ILE 76 HD13 ILE 76 0.147 -6.611 -6.378 577 H GLY 77 H GLY 77 -0.487 -3.375 -9.195 578 1HA GLY 77 HA1 GLY 77 -1.477 -3.850 -11.778 579 2HA GLY 77 HA2 GLY 77 -1.830 -5.285 -10.779 580 H GLU 78 H GLU 78 -4.025 -4.683 -11.067 581 HA GLU 78 HA GLU 78 -4.967 -2.411 -9.397 582 1HB GLU 78 HB2 GLU 78 -5.565 -3.118 -12.228 583 2HB GLU 78 HB3 GLU 78 -6.975 -2.891 -11.221 584 1HG GLU 78 HG2 GLU 78 -5.960 -0.656 -10.493 585 2HG GLU 78 HG3 GLU 78 -4.737 -0.963 -11.755 586 H LEU 79 H LEU 79 -7.127 -2.677 -8.740 587 HA LEU 79 HA LEU 79 -7.648 -5.059 -7.298 588 1HB LEU 79 HB2 LEU 79 -8.531 -2.767 -6.808 589 2HB LEU 79 HB3 LEU 79 -9.502 -2.847 -8.282 590 HG LEU 79 HG LEU 79 -10.651 -4.889 -7.342 591 1HD1 LEU 79 HD11 LEU 79 -8.649 -4.412 -5.200 592 2HD1 LEU 79 HD12 LEU 79 -10.300 -4.620 -4.606 593 3HD1 LEU 79 HD13 LEU 79 -9.562 -5.890 -5.596 594 1HD2 LEU 79 HD21 LEU 79 -11.567 -2.664 -7.303 595 2HD2 LEU 79 HD22 LEU 79 -12.069 -3.585 -5.889 596 3HD2 LEU 79 HD23 LEU 79 -10.805 -2.341 -5.718 597 H HIS 80 H HIS 80 -8.611 -6.923 -7.921 598 HA HIS 80 HA HIS 80 -9.040 -7.650 -10.570 599 1HB HIS 80 HB2 HIS 80 -8.802 -9.092 -8.490 600 2HB HIS 80 HB3 HIS 80 -10.554 -8.956 -8.303 601 HD1 HIS 80 HD1 HIS 80 -11.928 -10.522 -10.060 602 HD2 HIS 80 HD2 HIS 80 -7.747 -10.449 -10.515 603 HE1 HIS 80 HE1 HIS 80 -11.372 -12.305 -11.742 604 HA PRO 81 HA PRO 81 -12.913 -5.805 -11.708 605 1HB PRO 81 HB2 PRO 81 -13.630 -7.363 -13.841 606 2HB PRO 81 HB3 PRO 81 -12.351 -6.112 -13.868 607 1HG PRO 81 HG2 PRO 81 -12.000 -9.095 -13.412 608 2HG PRO 81 HG3 PRO 81 -11.118 -8.063 -14.583 609 1HD PRO 81 HD2 PRO 81 -10.052 -8.662 -12.229 610 2HD PRO 81 HD3 PRO 81 -9.919 -6.984 -12.823 611 H ASP 82 H ASP 82 -12.633 -8.816 -10.224 612 HA ASP 82 HA ASP 82 -15.493 -9.527 -10.234 613 1HB ASP 82 HB2 ASP 82 -13.731 -11.286 -10.220 614 2HB ASP 82 HB3 ASP 82 -13.173 -10.672 -8.624 615 H ASP 83 H ASP 83 -13.166 -7.657 -8.334 616 HA ASP 83 HA ASP 83 -14.680 -7.728 -5.828 617 1HB ASP 83 HB2 ASP 83 -12.271 -7.530 -5.789 618 2HB ASP 83 HB3 ASP 83 -12.362 -6.057 -6.798 619 H ARG 84 H ARG 84 -13.858 -5.272 -8.239 620 HA ARG 84 HA ARG 84 -15.462 -3.229 -7.108 621 1HB ARG 84 HB2 ARG 84 -14.826 -1.908 -9.028 622 2HB ARG 84 HB3 ARG 84 -13.437 -2.847 -8.451 623 1HG ARG 84 HG2 ARG 84 -13.874 -4.533 -10.253 624 2HG ARG 84 HG3 ARG 84 -15.197 -3.531 -10.840 625 1HD ARG 84 HD2 ARG 84 -13.406 -3.000 -12.250 626 2HD ARG 84 HD3 ARG 84 -13.578 -1.630 -11.131 627 HE ARG 84 HE ARG 84 -11.652 -3.641 -10.235 628 1HH1 ARG 84 HH11 ARG 84 -8.842 -1.808 -11.440 629 2HH1 ARG 84 HH12 ARG 84 -9.345 -3.263 -10.593 630 1HH2 ARG 84 HH21 ARG 84 -10.277 -0.534 -12.478 631 2HH2 ARG 84 HH22 ARG 84 -12.014 -0.790 -12.380 632 HHA HEM 201 HGM HEM 201 4.515 10.867 5.104 633 HHB HEM 201 HDM HEM 201 5.701 7.740 -0.419 634 HHC HEM 201 HAM HEM 201 0.987 3.590 0.920 635 HHD HEM 201 HBM HEM 201 0.155 6.386 6.711 636 1HMA HEM 201 HM81 HEM 201 7.933 9.966 0.858 637 2HMA HEM 201 HM82 HEM 201 6.823 9.608 -0.473 638 3HMA HEM 201 HM83 HEM 201 6.809 11.199 0.262 639 1HAA HEM 201 HAA1 HEM 201 6.191 11.975 3.988 640 2HAA HEM 201 HAA2 HEM 201 6.885 12.072 2.383 641 1HBA HEM 201 HBA1 HEM 201 4.046 12.754 3.209 642 2HBA HEM 201 HBA2 HEM 201 4.483 12.456 1.517 643 1HMB HEM 201 HM11 HEM 201 4.808 6.439 -2.598 644 2HMB HEM 201 HM12 HEM 201 5.995 5.561 -1.615 645 3HMB HEM 201 HM13 HEM 201 4.786 4.663 -2.520 646 HAB HEM 201 HT2A HEM 201 2.599 2.671 -1.103 647 1HBB HEM 201 HV2C HEM 201 1.121 4.930 -2.429 648 2HBB HEM 201 HV2T HEM 201 1.147 3.112 -2.877 649 1HMC HEM 201 HM31 HEM 201 -1.141 2.184 3.686 650 2HMC HEM 201 HM32 HEM 201 -1.933 3.299 2.560 651 3HMC HEM 201 HM33 HEM 201 -0.490 2.396 2.052 652 HAC HEM 201 HT4A HEM 201 -1.116 3.336 6.223 653 1HBC HEM 201 HV4C HEM 201 -2.417 6.023 5.530 654 2HBC HEM 201 HV4T HEM 201 -2.515 5.072 7.137 655 1HMD HEM 201 HM51 HEM 201 0.094 8.513 8.319 656 2HMD HEM 201 HM52 HEM 201 1.353 7.327 8.746 657 3HMD HEM 201 HM53 HEM 201 1.580 9.031 9.127 658 1HAD HEM 201 HAD1 HEM 201 3.565 10.124 8.534 659 2HAD HEM 201 HAD2 HEM 201 4.017 11.170 7.215 660 1HBD HEM 201 HBD1 HEM 201 2.121 12.421 7.340 661 2HBD HEM 201 HBD2 HEM 201 1.158 11.119 8.041 Start of MODEL 14 1 1H ALA 3 H1 ALA 3 1.418 -9.598 -18.210 2 2H ALA 3 H2 ALA 3 0.455 -10.039 -19.464 3 3H ALA 3 H3 ALA 3 1.962 -9.403 -19.779 4 HA ALA 3 HA ALA 3 1.325 -7.293 -19.400 5 1HB ALA 3 HB1 ALA 3 -1.407 -8.655 -19.668 6 2HB ALA 3 HB2 ALA 3 -1.129 -6.911 -19.816 7 3HB ALA 3 HB3 ALA 3 -0.413 -8.016 -20.998 8 H VAL 4 H VAL 4 -0.524 -5.936 -17.935 9 HA VAL 4 HA VAL 4 0.153 -6.427 -15.238 10 HB VAL 4 HB VAL 4 -0.679 -4.294 -16.164 11 1HG1 VAL 4 HG11 VAL 4 -2.992 -3.844 -16.575 12 2HG1 VAL 4 HG12 VAL 4 -2.638 -5.320 -17.491 13 3HG1 VAL 4 HG13 VAL 4 -3.501 -5.418 -15.943 14 1HG2 VAL 4 HG21 VAL 4 -2.274 -5.319 -13.783 15 2HG2 VAL 4 HG22 VAL 4 -0.625 -4.651 -13.755 16 3HG2 VAL 4 HG23 VAL 4 -1.997 -3.622 -14.215 17 H LYS 5 H LYS 5 -0.840 -7.577 -13.642 18 HA LYS 5 HA LYS 5 -3.162 -9.335 -14.352 19 1HB LYS 5 HB2 LYS 5 -1.061 -10.648 -14.227 20 2HB LYS 5 HB3 LYS 5 -0.770 -9.996 -12.605 21 1HG LYS 5 HG2 LYS 5 -3.097 -10.958 -11.983 22 2HG LYS 5 HG3 LYS 5 -3.040 -11.827 -13.525 23 1HD LYS 5 HD2 LYS 5 -1.017 -13.009 -12.821 24 2HD LYS 5 HD3 LYS 5 -0.857 -11.952 -11.400 25 1HE LYS 5 HE2 LYS 5 -3.130 -12.808 -10.604 26 2HE LYS 5 HE3 LYS 5 -3.059 -14.010 -11.903 27 1HZ LYS 5 HZ1 LYS 5 -2.271 -14.912 -9.855 28 2HZ LYS 5 HZ2 LYS 5 -0.985 -14.799 -10.877 29 3HZ LYS 5 HZ3 LYS 5 -1.172 -13.709 -9.655 30 H TYR 6 H TYR 6 -4.728 -8.114 -13.433 31 HA TYR 6 HA TYR 6 -4.488 -6.567 -11.089 32 1HB TYR 6 HB2 TYR 6 -6.996 -7.981 -12.068 33 2HB TYR 6 HB3 TYR 6 -6.871 -6.523 -11.073 34 HD1 TYR 6 HD1 TYR 6 -6.606 -7.894 -14.510 35 HD2 TYR 6 HD2 TYR 6 -6.615 -4.363 -12.063 36 HE1 TYR 6 HE1 TYR 6 -6.567 -6.492 -16.545 37 HE2 TYR 6 HE2 TYR 6 -6.572 -2.943 -14.113 38 HH TYR 6 HH TYR 6 -6.353 -4.345 -17.384 39 H TYR 7 H TYR 7 -5.420 -7.021 -8.914 40 HA TYR 7 HA TYR 7 -5.278 -9.923 -8.175 41 1HB TYR 7 HB2 TYR 7 -4.270 -7.627 -6.499 42 2HB TYR 7 HB3 TYR 7 -4.105 -9.351 -6.190 43 HD1 TYR 7 HD1 TYR 7 -2.533 -10.718 -7.655 44 HD2 TYR 7 HD2 TYR 7 -2.734 -6.422 -7.833 45 HE1 TYR 7 HE1 TYR 7 -0.348 -10.655 -8.853 46 HE2 TYR 7 HE2 TYR 7 -0.609 -6.364 -9.072 47 HH TYR 7 HH TYR 7 1.030 -7.577 -10.079 48 H THR 8 H THR 8 -6.766 -10.621 -6.702 49 HA THR 8 HA THR 8 -9.200 -9.029 -6.425 50 HB THR 8 HB THR 8 -10.146 -11.015 -5.486 51 HG1 THR 8 HG1 THR 8 -7.918 -12.628 -5.560 52 1HG2 THR 8 HG21 THR 8 -9.930 -12.565 -7.269 53 2HG2 THR 8 HG22 THR 8 -9.593 -10.986 -7.985 54 3HG2 THR 8 HG23 THR 8 -8.255 -12.091 -7.621 55 H LEU 9 H LEU 9 -10.189 -8.486 -4.311 56 HA LEU 9 HA LEU 9 -8.431 -7.403 -2.461 57 1HB LEU 9 HB2 LEU 9 -11.197 -7.572 -2.774 58 2HB LEU 9 HB3 LEU 9 -10.956 -8.369 -1.262 59 HG LEU 9 HG LEU 9 -10.075 -5.554 -2.029 60 1HD1 LEU 9 HD11 LEU 9 -12.498 -5.866 -1.414 61 2HD1 LEU 9 HD12 LEU 9 -11.983 -6.442 0.176 62 3HD1 LEU 9 HD13 LEU 9 -11.621 -4.778 -0.334 63 1HD2 LEU 9 HD21 LEU 9 -9.678 -6.843 0.711 64 2HD2 LEU 9 HD22 LEU 9 -8.357 -6.563 -0.438 65 3HD2 LEU 9 HD23 LEU 9 -9.246 -5.194 0.222 66 H GLU 10 H GLU 10 -9.872 -10.640 -2.611 67 HA GLU 10 HA GLU 10 -9.020 -11.671 -0.139 68 1HB GLU 10 HB2 GLU 10 -10.573 -12.739 -1.837 69 2HB GLU 10 HB3 GLU 10 -9.152 -13.223 -2.749 70 1HG GLU 10 HG2 GLU 10 -9.859 -15.081 -1.369 71 2HG GLU 10 HG3 GLU 10 -8.324 -14.486 -0.730 72 H GLU 11 H GLU 11 -7.401 -12.030 -3.334 73 HA GLU 11 HA GLU 11 -5.071 -13.234 -2.266 74 1HB GLU 11 HB2 GLU 11 -5.807 -12.229 -4.888 75 2HB GLU 11 HB3 GLU 11 -4.213 -11.614 -4.473 76 1HG GLU 11 HG2 GLU 11 -3.713 -13.629 -5.505 77 2HG GLU 11 HG3 GLU 11 -3.616 -14.061 -3.803 78 H ILE 12 H ILE 12 -5.751 -9.786 -2.880 79 HA ILE 12 HA ILE 12 -3.232 -8.835 -2.036 80 HB ILE 12 HB ILE 12 -5.980 -7.507 -1.944 81 1HG1 ILE 12 HG12 ILE 12 -3.798 -7.008 -3.992 82 2HG1 ILE 12 HG13 ILE 12 -4.930 -8.330 -4.221 83 1HG2 ILE 12 HG21 ILE 12 -4.685 -6.108 -0.563 84 2HG2 ILE 12 HG22 ILE 12 -3.188 -6.460 -1.456 85 3HG2 ILE 12 HG23 ILE 12 -4.391 -5.390 -2.157 86 1HD1 ILE 12 HD11 ILE 12 -5.734 -5.424 -3.884 87 2HD1 ILE 12 HD12 ILE 12 -5.730 -6.326 -5.388 88 3HD1 ILE 12 HD13 ILE 12 -6.850 -6.775 -4.106 89 H GLN 13 H GLN 13 -6.236 -9.407 -0.137 90 HA GLN 13 HA GLN 13 -5.395 -8.598 2.406 91 1HB GLN 13 HB2 GLN 13 -7.446 -10.496 1.320 92 2HB GLN 13 HB3 GLN 13 -7.067 -10.591 3.004 93 1HG GLN 13 HG2 GLN 13 -7.557 -7.823 1.927 94 2HG GLN 13 HG3 GLN 13 -8.935 -8.926 1.923 95 1HE2 GLN 13 HE21 GLN 13 -9.508 -6.891 3.416 96 2HE2 GLN 13 HE22 GLN 13 -9.281 -7.236 5.123 97 H LYS 14 H LYS 14 -4.947 -11.794 0.779 98 HA LYS 14 HA LYS 14 -3.762 -13.044 3.026 99 1HB LYS 14 HB2 LYS 14 -3.298 -13.537 0.051 100 2HB LYS 14 HB3 LYS 14 -2.568 -14.468 1.356 101 1HG LYS 14 HG2 LYS 14 -5.026 -14.731 2.234 102 2HG LYS 14 HG3 LYS 14 -5.517 -14.313 0.609 103 1HD LYS 14 HD2 LYS 14 -3.387 -16.454 0.816 104 2HD LYS 14 HD3 LYS 14 -4.901 -16.836 1.613 105 1HE LYS 14 HE2 LYS 14 -4.947 -17.742 -0.623 106 2HE LYS 14 HE3 LYS 14 -6.174 -16.479 -0.457 107 1HZ LYS 14 HZ1 LYS 14 -5.018 -16.206 -2.521 108 2HZ LYS 14 HZ2 LYS 14 -4.621 -14.974 -1.550 109 3HZ LYS 14 HZ3 LYS 14 -3.551 -16.197 -1.793 110 H HIS 15 H HIS 15 -2.419 -10.538 0.993 111 HA HIS 15 HA HIS 15 0.344 -10.987 2.038 112 1HB HIS 15 HB2 HIS 15 -0.787 -9.196 -0.117 113 2HB HIS 15 HB3 HIS 15 0.877 -9.099 0.474 114 HD1 HIS 15 HD1 HIS 15 2.357 -10.175 -1.337 115 HD2 HIS 15 HD2 HIS 15 -1.316 -12.137 -0.755 116 HE1 HIS 15 HE1 HIS 15 2.363 -12.212 -2.862 117 H ASN 16 H ASN 16 -0.724 -10.573 4.178 118 HA ASN 16 HA ASN 16 -0.703 -7.641 4.846 119 1HB ASN 16 HB2 ASN 16 -2.265 -8.091 6.634 120 2HB ASN 16 HB3 ASN 16 -2.951 -8.664 5.128 121 1HD2 ASN 16 HD21 ASN 16 -2.918 -10.966 4.676 122 2HD2 ASN 16 HD22 ASN 16 -2.845 -12.142 5.971 123 H ASN 17 H ASN 17 1.808 -9.163 4.814 124 HA ASN 17 HA ASN 17 2.304 -9.274 7.769 125 1HB ASN 17 HB2 ASN 17 1.915 -11.590 6.481 126 2HB ASN 17 HB3 ASN 17 3.603 -11.344 6.020 127 1HD2 ASN 17 HD21 ASN 17 3.171 -13.553 7.416 128 2HD2 ASN 17 HD22 ASN 17 3.438 -13.369 9.146 129 H SER 18 H SER 18 4.642 -9.085 8.348 130 HA SER 18 HA SER 18 5.915 -6.967 7.076 131 1HB SER 18 HB2 SER 18 7.162 -9.271 8.640 132 2HB SER 18 HB3 SER 18 7.978 -7.750 8.230 133 HG SER 18 HG SER 18 7.067 -7.125 10.047 134 H LYS 19 H LYS 19 6.175 -10.400 6.375 135 HA LYS 19 HA LYS 19 8.222 -10.431 4.413 136 1HB LYS 19 HB2 LYS 19 5.788 -12.126 5.048 137 2HB LYS 19 HB3 LYS 19 6.784 -12.494 3.640 138 1HG LYS 19 HG2 LYS 19 8.546 -13.226 4.803 139 2HG LYS 19 HG3 LYS 19 8.379 -12.068 6.115 140 1HD LYS 19 HD2 LYS 19 6.312 -14.272 5.863 141 2HD LYS 19 HD3 LYS 19 7.932 -14.678 6.451 142 1HE LYS 19 HE2 LYS 19 7.779 -12.919 8.203 143 2HE LYS 19 HE3 LYS 19 6.136 -12.522 7.674 144 1HZ LYS 19 HZ1 LYS 19 5.459 -14.713 8.320 145 2HZ LYS 19 HZ2 LYS 19 7.000 -15.143 8.720 146 3HZ LYS 19 HZ3 LYS 19 6.218 -13.988 9.585 147 H SER 20 H SER 20 4.751 -9.505 4.085 148 HA SER 20 HA SER 20 5.243 -8.415 1.466 149 1HB SER 20 HB2 SER 20 3.503 -10.885 1.740 150 2HB SER 20 HB3 SER 20 3.433 -9.695 0.434 151 HG SER 20 HG SER 20 5.992 -10.448 0.863 152 H THR 21 H THR 21 4.521 -6.556 2.232 153 HA THR 21 HA THR 21 1.745 -6.251 3.250 154 HB THR 21 HB THR 21 4.250 -4.560 3.230 155 HG1 THR 21 HG1 THR 21 3.704 -6.141 4.857 156 1HG2 THR 21 HG21 THR 21 2.561 -2.888 4.482 157 2HG2 THR 21 HG22 THR 21 2.945 -2.782 2.755 158 3HG2 THR 21 HG23 THR 21 1.444 -3.538 3.273 159 H TRP 22 H TRP 22 0.439 -6.472 1.503 160 HA TRP 22 HA TRP 22 0.799 -4.580 -0.799 161 1HB TRP 22 HB2 TRP 22 -0.931 -7.046 -0.419 162 2HB TRP 22 HB3 TRP 22 -0.997 -5.958 -1.798 163 HD1 TRP 22 HD1 TRP 22 2.553 -6.599 -0.834 164 HE1 TRP 22 HE1 TRP 22 3.674 -7.869 -2.586 165 HE3 TRP 22 HE3 TRP 22 -1.615 -8.028 -3.412 166 HZ2 TRP 22 HZ2 TRP 22 2.889 -9.450 -4.979 167 HZ3 TRP 22 HZ3 TRP 22 -1.418 -9.496 -5.360 168 HH2 TRP 22 HH2 TRP 22 0.847 -10.122 -6.249 169 H LEU 23 H LEU 23 -1.625 -3.883 -1.460 170 HA LEU 23 HA LEU 23 -3.679 -3.592 0.363 171 1HB LEU 23 HB2 LEU 23 -3.260 -1.137 1.058 172 2HB LEU 23 HB3 LEU 23 -2.486 -2.410 1.950 173 HG LEU 23 HG LEU 23 -0.404 -1.971 0.326 174 1HD1 LEU 23 HD11 LEU 23 -1.861 0.625 0.148 175 2HD1 LEU 23 HD12 LEU 23 -0.219 0.301 -0.435 176 3HD1 LEU 23 HD13 LEU 23 -1.594 -0.462 -1.242 177 1HD2 LEU 23 HD21 LEU 23 0.042 -1.519 2.489 178 2HD2 LEU 23 HD22 LEU 23 0.035 0.132 1.834 179 3HD2 LEU 23 HD23 LEU 23 -1.386 -0.477 2.716 180 H ILE 24 H ILE 24 -5.067 -1.613 -0.234 181 HA ILE 24 HA ILE 24 -4.829 -1.110 -3.178 182 HB ILE 24 HB ILE 24 -7.297 -1.577 -1.524 183 1HG1 ILE 24 HG12 ILE 24 -6.249 -3.221 -3.866 184 2HG1 ILE 24 HG13 ILE 24 -5.702 -3.540 -2.226 185 1HG2 ILE 24 HG21 ILE 24 -7.731 0.060 -3.356 186 2HG2 ILE 24 HG22 ILE 24 -7.044 -1.088 -4.526 187 3HG2 ILE 24 HG23 ILE 24 -8.533 -1.484 -3.641 188 1HD1 ILE 24 HD11 ILE 24 -7.401 -4.974 -2.102 189 2HD1 ILE 24 HD12 ILE 24 -8.326 -3.538 -1.646 190 3HD1 ILE 24 HD13 ILE 24 -8.374 -4.137 -3.307 191 H LEU 25 H LEU 25 -4.429 0.901 -3.627 192 HA LEU 25 HA LEU 25 -5.463 3.208 -1.987 193 1HB LEU 25 HB2 LEU 25 -2.797 2.530 -3.109 194 2HB LEU 25 HB3 LEU 25 -3.284 4.225 -3.116 195 HG LEU 25 HG LEU 25 -3.067 4.524 -0.938 196 1HD1 LEU 25 HD11 LEU 25 -3.558 1.597 -0.647 197 2HD1 LEU 25 HD12 LEU 25 -3.011 2.636 0.682 198 3HD1 LEU 25 HD13 LEU 25 -4.546 2.977 -0.109 199 1HD2 LEU 25 HD21 LEU 25 -0.933 2.727 -2.023 200 2HD2 LEU 25 HD22 LEU 25 -0.811 4.270 -1.176 201 3HD2 LEU 25 HD23 LEU 25 -1.001 2.779 -0.278 202 H HIS 26 H HIS 26 -7.270 3.450 -3.225 203 HA HIS 26 HA HIS 26 -8.519 4.291 -4.900 204 1HB HIS 26 HB2 HIS 26 -5.986 5.321 -6.220 205 2HB HIS 26 HB3 HIS 26 -7.640 5.857 -6.482 206 HD1 HIS 26 HD1 HIS 26 -8.673 7.502 -4.577 207 HD2 HIS 26 HD2 HIS 26 -4.715 6.191 -4.037 208 HE1 HIS 26 HE1 HIS 26 -7.651 8.998 -2.777 209 H TYR 27 H TYR 27 -8.314 1.720 -5.053 210 HA TYR 27 HA TYR 27 -8.649 -0.067 -6.368 211 1HB TYR 27 HB2 TYR 27 -8.796 1.891 -8.694 212 2HB TYR 27 HB3 TYR 27 -9.438 0.263 -8.626 213 HD1 TYR 27 HD1 TYR 27 -9.909 3.744 -7.362 214 HD2 TYR 27 HD2 TYR 27 -11.595 -0.200 -7.701 215 HE1 TYR 27 HE1 TYR 27 -12.012 4.556 -6.364 216 HE2 TYR 27 HE2 TYR 27 -13.706 0.612 -6.712 217 HH TYR 27 HH TYR 27 -14.188 4.033 -5.794 218 H LYS 28 H LYS 28 -5.817 1.076 -6.041 219 HA LYS 28 HA LYS 28 -4.472 -0.382 -8.259 220 1HB LYS 28 HB2 LYS 28 -3.769 2.253 -6.998 221 2HB LYS 28 HB3 LYS 28 -2.668 1.330 -8.038 222 1HG LYS 28 HG2 LYS 28 -4.262 1.520 -9.898 223 2HG LYS 28 HG3 LYS 28 -5.473 2.198 -8.815 224 1HD LYS 28 HD2 LYS 28 -3.598 4.057 -8.400 225 2HD LYS 28 HD3 LYS 28 -3.025 3.481 -9.976 226 1HE LYS 28 HE2 LYS 28 -5.814 3.714 -10.359 227 2HE LYS 28 HE3 LYS 28 -5.488 5.015 -9.210 228 1HZ LYS 28 HZ1 LYS 28 -5.350 5.735 -11.471 229 2HZ LYS 28 HZ2 LYS 28 -3.840 5.824 -10.816 230 3HZ LYS 28 HZ3 LYS 28 -4.238 4.585 -11.844 231 H VAL 29 H VAL 29 -3.008 -1.870 -7.597 232 HA VAL 29 HA VAL 29 -2.670 -2.249 -4.714 233 HB VAL 29 HB VAL 29 -1.879 -4.151 -6.926 234 1HG1 VAL 29 HG11 VAL 29 -2.029 -5.834 -5.166 235 2HG1 VAL 29 HG12 VAL 29 -0.988 -4.539 -4.559 236 3HG1 VAL 29 HG13 VAL 29 -2.665 -4.647 -4.012 237 1HG2 VAL 29 HG21 VAL 29 -4.238 -3.710 -7.236 238 2HG2 VAL 29 HG22 VAL 29 -4.041 -5.279 -6.460 239 3HG2 VAL 29 HG23 VAL 29 -4.540 -3.879 -5.490 240 H TYR 30 H TYR 30 -0.757 -2.149 -3.686 241 HA TYR 30 HA TYR 30 1.722 -1.454 -5.216 242 1HB TYR 30 HB2 TYR 30 0.609 -0.177 -2.698 243 2HB TYR 30 HB3 TYR 30 2.164 0.190 -3.423 244 HD1 TYR 30 HD1 TYR 30 -1.511 0.491 -3.769 245 HD2 TYR 30 HD2 TYR 30 2.271 1.470 -5.560 246 HE1 TYR 30 HE1 TYR 30 -2.609 2.193 -5.194 247 HE2 TYR 30 HE2 TYR 30 1.116 3.168 -7.002 248 HH TYR 30 HH TYR 30 -0.760 4.580 -7.018 249 H ASP 31 H ASP 31 2.993 -3.220 -4.908 250 HA ASP 31 HA ASP 31 3.054 -4.705 -2.352 251 1HB ASP 31 HB2 ASP 31 3.336 -5.989 -4.427 252 2HB ASP 31 HB3 ASP 31 4.656 -4.904 -4.928 253 H LEU 32 H LEU 32 4.011 -3.459 -0.741 254 HA LEU 32 HA LEU 32 6.529 -2.045 -1.463 255 1HB LEU 32 HB2 LEU 32 4.731 -1.546 0.913 256 2HB LEU 32 HB3 LEU 32 6.210 -0.753 0.507 257 HG LEU 32 HG LEU 32 4.570 -0.656 -1.871 258 1HD1 LEU 32 HD11 LEU 32 2.677 -1.096 -0.254 259 2HD1 LEU 32 HD12 LEU 32 3.112 0.416 0.573 260 3HD1 LEU 32 HD13 LEU 32 2.567 0.442 -1.116 261 1HD2 LEU 32 HD21 LEU 32 4.842 1.713 -1.635 262 2HD2 LEU 32 HD22 LEU 32 5.248 1.543 0.092 263 3HD2 LEU 32 HD23 LEU 32 6.344 0.907 -1.162 264 H THR 33 H THR 33 5.611 -3.132 1.764 265 HA THR 33 HA THR 33 6.543 -4.453 3.236 266 HB THR 33 HB THR 33 6.255 -6.046 0.992 267 HG1 THR 33 HG1 THR 33 6.887 -6.885 3.626 268 1HG2 THR 33 HG21 THR 33 8.889 -6.782 2.327 269 2HG2 THR 33 HG22 THR 33 7.940 -7.774 1.205 270 3HG2 THR 33 HG23 THR 33 8.660 -6.279 0.627 271 H LYS 34 H LYS 34 9.015 -4.076 0.661 272 HA LYS 34 HA LYS 34 11.199 -4.057 2.590 273 1HB LYS 34 HB2 LYS 34 11.398 -4.883 0.269 274 2HB LYS 34 HB3 LYS 34 11.063 -3.257 -0.359 275 1HG LYS 34 HG2 LYS 34 13.108 -2.384 0.642 276 2HG LYS 34 HG3 LYS 34 13.344 -3.883 1.561 277 1HD LYS 34 HD2 LYS 34 13.557 -5.142 -0.588 278 2HD LYS 34 HD3 LYS 34 13.428 -3.609 -1.480 279 1HE LYS 34 HE2 LYS 34 15.475 -2.762 -0.425 280 2HE LYS 34 HE3 LYS 34 15.541 -4.152 0.671 281 1HZ LYS 34 HZ1 LYS 34 17.065 -4.427 -1.114 282 2HZ LYS 34 HZ2 LYS 34 15.891 -5.572 -1.228 283 3HZ LYS 34 HZ3 LYS 34 15.881 -4.277 -2.248 284 H PHE 35 H PHE 35 8.798 -1.863 1.419 285 HA PHE 35 HA PHE 35 10.456 0.518 1.952 286 1HB PHE 35 HB2 PHE 35 8.795 0.074 -0.108 287 2HB PHE 35 HB3 PHE 35 7.633 0.607 1.054 288 HD1 PHE 35 HD1 PHE 35 7.020 2.889 0.858 289 HD2 PHE 35 HD2 PHE 35 11.107 1.740 0.050 290 HE1 PHE 35 HE1 PHE 35 7.589 5.241 0.346 291 HE2 PHE 35 HE2 PHE 35 11.665 4.093 -0.433 292 HZ PHE 35 HZ PHE 35 9.918 5.854 -0.277 293 H LEU 36 H LEU 36 8.763 -1.588 3.886 294 HA LEU 36 HA LEU 36 6.845 0.015 5.190 295 1HB LEU 36 HB2 LEU 36 8.614 -2.277 6.132 296 2HB LEU 36 HB3 LEU 36 7.319 -1.608 7.121 297 HG LEU 36 HG LEU 36 6.854 -2.658 4.327 298 1HD1 LEU 36 HD11 LEU 36 5.969 -4.708 5.486 299 2HD1 LEU 36 HD12 LEU 36 7.666 -4.459 5.931 300 3HD1 LEU 36 HD13 LEU 36 6.377 -3.993 7.057 301 1HD2 LEU 36 HD21 LEU 36 5.010 -1.412 4.697 302 2HD2 LEU 36 HD22 LEU 36 4.486 -2.872 5.555 303 3HD2 LEU 36 HD23 LEU 36 5.135 -1.511 6.476 304 H GLU 37 H GLU 37 10.173 -0.670 6.363 305 HA GLU 37 HA GLU 37 10.140 1.429 8.322 306 1HB GLU 37 HB2 GLU 37 12.105 -0.543 7.244 307 2HB GLU 37 HB3 GLU 37 12.813 0.962 7.832 308 1HG GLU 37 HG2 GLU 37 11.801 0.716 9.997 309 2HG GLU 37 HG3 GLU 37 10.847 -0.685 9.473 310 H GLU 38 H GLU 38 11.187 1.324 4.920 311 HA GLU 38 HA GLU 38 12.611 3.786 4.899 312 1HB GLU 38 HB2 GLU 38 11.079 2.398 2.700 313 2HB GLU 38 HB3 GLU 38 12.260 3.653 2.447 314 1HG GLU 38 HG2 GLU 38 13.521 1.607 4.076 315 2HG GLU 38 HG3 GLU 38 12.733 0.823 2.703 316 H HIS 39 HN HIS 39 9.226 2.955 4.247 317 HA HIS 39 HA HIS 39 8.190 5.331 3.264 318 1HB HIS 39 HB2 HIS 39 6.857 3.377 3.266 319 2HB HIS 39 HB3 HIS 39 6.969 3.204 5.024 320 HD1 HIS 39 HND HIS 39 4.791 3.965 6.194 321 HD2 HIS 39 HD HIS 39 5.615 5.882 2.530 322 HE1 HIS 39 HE HIS 39 2.799 5.413 5.679 323 HA PRO 40 HA PRO 40 8.916 7.610 7.149 324 1HB PRO 40 HB2 PRO 40 8.778 10.175 6.144 325 2HB PRO 40 HB3 PRO 40 10.186 9.100 6.016 326 1HG PRO 40 HG2 PRO 40 8.246 9.810 3.854 327 2HG PRO 40 HG3 PRO 40 9.965 9.384 3.753 328 1HD PRO 40 HD2 PRO 40 7.706 7.688 3.313 329 2HD PRO 40 HD3 PRO 40 9.422 7.208 3.388 330 H GLY 41 H GLY 41 6.673 6.368 7.276 331 1HA GLY 41 HA1 GLY 41 4.750 8.289 8.279 332 2HA GLY 41 HA2 GLY 41 4.262 7.534 6.734 333 H GLY 42 H GLY 42 6.086 6.160 9.443 334 1HA GLY 42 HA1 GLY 42 5.584 4.508 10.947 335 2HA GLY 42 HA2 GLY 42 3.874 4.660 10.543 336 H GLU 43 H GLU 43 6.461 2.562 10.454 337 HA GLU 43 HA GLU 43 5.785 1.069 8.066 338 1HB GLU 43 HB2 GLU 43 7.254 -0.600 8.978 339 2HB GLU 43 HB3 GLU 43 7.968 0.998 9.130 340 1HG GLU 43 HG2 GLU 43 8.539 0.193 11.141 341 2HG GLU 43 HG3 GLU 43 6.966 0.780 11.650 342 H ALA 44 H ALA 44 5.020 0.850 11.529 343 HA ALA 44 HA ALA 44 3.393 -1.370 11.514 344 1HB ALA 44 HB1 ALA 44 3.512 1.068 13.298 345 2HB ALA 44 HB2 ALA 44 2.248 -0.156 13.544 346 3HB ALA 44 HB3 ALA 44 3.957 -0.622 13.633 347 H VAL 45 H VAL 45 2.260 2.056 11.078 348 HA VAL 45 HA VAL 45 -0.444 1.264 10.700 349 HB VAL 45 HB VAL 45 0.322 3.584 11.198 350 1HG1 VAL 45 HG11 VAL 45 0.796 3.823 8.197 351 2HG1 VAL 45 HG12 VAL 45 0.953 5.073 9.445 352 3HG1 VAL 45 HG13 VAL 45 2.069 3.705 9.433 353 1HG2 VAL 45 HG21 VAL 45 -1.955 3.421 10.758 354 2HG2 VAL 45 HG22 VAL 45 -1.436 4.617 9.558 355 3HG2 VAL 45 HG23 VAL 45 -1.725 2.938 9.073 356 H LEU 46 H LEU 46 2.298 1.670 8.242 357 HA LEU 46 HA LEU 46 0.714 0.975 6.041 358 1HB LEU 46 HB2 LEU 46 3.445 1.382 6.599 359 2HB LEU 46 HB3 LEU 46 3.360 -0.259 5.978 360 HG LEU 46 HG LEU 46 2.202 2.210 4.617 361 1HD1 LEU 46 HD11 LEU 46 4.089 2.245 3.190 362 2HD1 LEU 46 HD12 LEU 46 4.786 1.999 4.806 363 3HD1 LEU 46 HD13 LEU 46 4.637 0.637 3.694 364 1HD2 LEU 46 HD21 LEU 46 2.619 -0.642 3.616 365 2HD2 LEU 46 HD22 LEU 46 1.051 0.101 3.978 366 3HD2 LEU 46 HD23 LEU 46 2.044 0.722 2.642 367 H ARG 47 H ARG 47 2.240 -1.165 8.465 368 HA ARG 47 HA ARG 47 1.541 -3.591 7.072 369 1HB ARG 47 HB2 ARG 47 3.329 -2.912 9.063 370 2HB ARG 47 HB3 ARG 47 2.130 -3.829 9.972 371 1HG ARG 47 HG2 ARG 47 3.412 -4.772 7.364 372 2HG ARG 47 HG3 ARG 47 4.133 -5.088 8.927 373 1HD ARG 47 HD2 ARG 47 1.290 -5.988 8.265 374 2HD ARG 47 HD3 ARG 47 2.717 -6.937 7.904 375 HE ARG 47 HE ARG 47 3.158 -6.344 10.494 376 1HH1 ARG 47 HH11 ARG 47 1.121 -8.559 12.280 377 2HH1 ARG 47 HH12 ARG 47 2.507 -7.516 12.337 378 1HH2 ARG 47 HH21 ARG 47 -0.159 -8.714 10.314 379 2HH2 ARG 47 HH22 ARG 47 0.408 -7.983 8.868 380 H ALA 48 H ALA 48 -0.010 -1.620 9.521 381 HA ALA 48 HA ALA 48 -1.919 -3.541 10.456 382 1HB ALA 48 HB1 ALA 48 -1.233 -1.467 11.652 383 2HB ALA 48 HB2 ALA 48 -2.031 -0.495 10.402 384 3HB ALA 48 HB3 ALA 48 -3.000 -1.569 11.440 385 H GLN 49 H GLN 49 -2.024 -0.913 8.008 386 HA GLN 49 HA GLN 49 -4.682 -1.755 7.114 387 1HB GLN 49 HB2 GLN 49 -2.782 0.483 6.608 388 2HB GLN 49 HB3 GLN 49 -3.692 -0.022 5.206 389 1HG GLN 49 HG2 GLN 49 -5.026 0.646 7.854 390 2HG GLN 49 HG3 GLN 49 -4.749 1.795 6.532 391 1HE2 GLN 49 HE21 GLN 49 -7.199 2.074 6.392 392 2HE2 GLN 49 HE22 GLN 49 -7.971 0.861 5.363 393 H ALA 50 H ALA 50 -1.393 -2.628 6.332 394 HA ALA 50 HA ALA 50 -1.560 -3.420 3.767 395 1HB ALA 50 HB1 ALA 50 0.012 -5.222 4.248 396 2HB ALA 50 HB2 ALA 50 0.420 -3.784 5.199 397 3HB ALA 50 HB3 ALA 50 -0.383 -5.170 5.968 398 H GLY 51 H GLY 51 -2.258 -5.185 2.591 399 1HA GLY 51 HA1 GLY 51 -3.682 -6.780 1.881 400 2HA GLY 51 HA2 GLY 51 -3.688 -7.465 3.512 401 H GLY 52 H GLY 52 -4.817 -4.375 1.963 402 1HA GLY 52 HA1 GLY 52 -7.546 -4.961 2.025 403 2HA GLY 52 HA2 GLY 52 -7.154 -4.169 3.569 404 H ASP 53 H ASP 53 -8.795 -2.696 2.407 405 HA ASP 53 HA ASP 53 -7.667 -0.800 0.486 406 1HB ASP 53 HB2 ASP 53 -10.335 -1.248 1.790 407 2HB ASP 53 HB3 ASP 53 -9.906 0.415 1.382 408 H ALA 54 H ALA 54 -6.234 0.616 1.083 409 HA ALA 54 HA ALA 54 -6.552 1.955 3.752 410 1HB ALA 54 HB1 ALA 54 -3.894 1.862 2.395 411 2HB ALA 54 HB2 ALA 54 -4.287 2.038 4.097 412 3HB ALA 54 HB3 ALA 54 -4.421 0.440 3.281 413 H THR 55 H THR 55 -7.613 2.397 0.903 414 HA THR 55 HA THR 55 -6.235 4.606 -0.172 415 HB THR 55 HB THR 55 -9.215 3.974 -0.385 416 HG1 THR 55 HG1 THR 55 -7.625 2.245 -1.038 417 1HG2 THR 55 HG21 THR 55 -8.897 5.133 -2.598 418 2HG2 THR 55 HG22 THR 55 -8.536 6.237 -1.255 419 3HG2 THR 55 HG23 THR 55 -7.206 5.454 -2.137 420 H ALA 56 H ALA 56 -9.027 4.525 2.081 421 HA ALA 56 HA ALA 56 -9.296 7.312 2.436 422 1HB ALA 56 HB1 ALA 56 -10.566 6.778 4.408 423 2HB ALA 56 HB2 ALA 56 -10.951 5.587 3.152 424 3HB ALA 56 HB3 ALA 56 -9.869 5.147 4.494 425 H ASN 57 H ASN 57 -7.112 4.973 4.000 426 HA ASN 57 HA ASN 57 -6.316 6.762 6.126 427 1HB ASN 57 HB2 ASN 57 -6.288 4.162 5.986 428 2HB ASN 57 HB3 ASN 57 -4.737 4.345 5.163 429 1HD2 ASN 57 HD21 ASN 57 -5.733 3.348 7.990 430 2HD2 ASN 57 HD22 ASN 57 -4.620 4.163 9.065 431 H PHE 58 H PHE 58 -4.864 5.614 3.104 432 HA PHE 58 HA PHE 58 -2.479 7.105 3.044 433 1HB PHE 58 HB2 PHE 58 -2.827 5.307 1.526 434 2HB PHE 58 HB3 PHE 58 -4.323 5.990 0.917 435 HD1 PHE 58 HD1 PHE 58 -4.381 7.664 -0.815 436 HD2 PHE 58 HD2 PHE 58 -0.636 6.209 0.734 437 HE1 PHE 58 HE1 PHE 58 -3.214 8.554 -2.798 438 HE2 PHE 58 HE2 PHE 58 0.539 7.099 -1.255 439 HZ PHE 58 HZ PHE 58 -0.740 8.287 -3.026 440 H GLU 59 H GLU 59 -5.736 7.923 1.689 441 HA GLU 59 HA GLU 59 -4.812 10.457 0.730 442 1HB GLU 59 HB2 GLU 59 -6.960 10.801 -0.117 443 2HB GLU 59 HB3 GLU 59 -6.563 9.095 -0.331 444 1HG GLU 59 HG2 GLU 59 -8.727 8.893 0.427 445 2HG GLU 59 HG3 GLU 59 -7.848 8.832 1.957 446 H ALA 60 H ALA 60 -6.650 9.451 3.644 447 HA ALA 60 HA ALA 60 -7.281 11.876 4.766 448 1HB ALA 60 HB1 ALA 60 -6.838 10.731 7.003 449 2HB ALA 60 HB2 ALA 60 -7.916 9.858 5.903 450 3HB ALA 60 HB3 ALA 60 -6.230 9.336 6.094 451 H VAL 61 H VAL 61 -4.134 10.162 5.088 452 HA VAL 61 HA VAL 61 -2.836 12.390 6.417 453 HB VAL 61 HB VAL 61 -1.731 10.026 4.850 454 1HG1 VAL 61 HG11 VAL 61 0.371 10.597 6.017 455 2HG1 VAL 61 HG12 VAL 61 -0.068 11.855 4.891 456 3HG1 VAL 61 HG13 VAL 61 -0.354 12.096 6.626 457 1HG2 VAL 61 HG21 VAL 61 -1.558 10.353 7.847 458 2HG2 VAL 61 HG22 VAL 61 -3.079 9.768 7.162 459 3HG2 VAL 61 HG23 VAL 61 -1.594 8.879 6.846 460 H GLY 62 H GLY 62 -2.865 11.184 3.029 461 1HA GLY 62 HA1 GLY 62 -2.893 12.500 1.111 462 2HA GLY 62 HA2 GLY 62 -2.398 13.942 2.013 463 H HIS 63 HN HIS 63 -1.214 13.101 -0.403 464 HA HIS 63 HA HIS 63 1.554 12.310 0.281 465 1HB HIS 63 HB2 HIS 63 -0.495 10.630 -1.222 466 2HB HIS 63 HB3 HIS 63 1.232 10.432 -1.460 467 HD1 HIS 63 HND HIS 63 -1.428 9.699 1.295 468 HD2 HIS 63 HD HIS 63 2.661 9.291 0.412 469 HE1 HIS 63 HE HIS 63 -0.466 8.117 3.021 470 H SER 64 H SER 64 2.527 14.025 -0.681 471 HA SER 64 HA SER 64 1.615 15.610 -2.743 472 1HB SER 64 HB2 SER 64 4.524 15.053 -2.003 473 2HB SER 64 HB3 SER 64 3.853 16.558 -2.664 474 HG SER 64 HG SER 64 4.070 16.694 -0.399 475 H THR 65 H THR 65 2.951 16.035 -4.878 476 HA THR 65 HA THR 65 2.463 14.116 -6.705 477 HB THR 65 HB THR 65 4.821 16.011 -6.901 478 HG1 THR 65 HG1 THR 65 3.166 17.536 -7.498 479 1HG2 THR 65 HG21 THR 65 2.844 14.870 -8.917 480 2HG2 THR 65 HG22 THR 65 3.927 16.233 -9.269 481 3HG2 THR 65 HG23 THR 65 4.603 14.648 -8.863 482 H ASP 66 H ASP 66 5.648 14.682 -5.140 483 HA ASP 66 HA ASP 66 7.160 12.717 -6.393 484 1HB ASP 66 HB2 ASP 66 7.662 14.538 -4.466 485 2HB ASP 66 HB3 ASP 66 7.420 13.171 -3.386 486 H ALA 67 H ALA 67 5.052 12.457 -3.560 487 HA ALA 67 HA ALA 67 5.550 9.643 -3.074 488 1HB ALA 67 HB1 ALA 67 3.643 9.745 -1.579 489 2HB ALA 67 HB2 ALA 67 4.727 11.126 -1.297 490 3HB ALA 67 HB3 ALA 67 3.210 11.355 -2.180 491 H ARG 68 H ARG 68 3.064 11.446 -4.845 492 HA ARG 68 HA ARG 68 1.378 9.271 -5.565 493 1HB ARG 68 HB2 ARG 68 1.548 12.108 -5.969 494 2HB ARG 68 HB3 ARG 68 1.351 11.399 -7.559 495 1HG ARG 68 HG2 ARG 68 -0.770 10.577 -7.051 496 2HG ARG 68 HG3 ARG 68 -0.466 10.500 -5.304 497 1HD ARG 68 HD2 ARG 68 -0.561 12.930 -5.090 498 2HD ARG 68 HD3 ARG 68 -0.630 13.120 -6.836 499 HE ARG 68 HE ARG 68 -2.856 12.748 -6.852 500 1HH1 ARG 68 HH11 ARG 68 -5.123 11.601 -4.426 501 2HH1 ARG 68 HH12 ARG 68 -4.940 12.233 -6.027 502 1HH2 ARG 68 HH21 ARG 68 -3.196 11.268 -3.070 503 2HH2 ARG 68 HH22 ARG 68 -1.642 11.745 -3.692 504 H GLU 69 H GLU 69 4.332 10.575 -7.024 505 HA GLU 69 HA GLU 69 4.204 8.889 -9.421 506 1HB GLU 69 HB2 GLU 69 5.940 11.015 -8.288 507 2HB GLU 69 HB3 GLU 69 6.708 9.919 -9.417 508 1HG GLU 69 HG2 GLU 69 4.026 11.172 -10.126 509 2HG GLU 69 HG3 GLU 69 5.525 12.088 -10.308 510 H LEU 70 H LEU 70 5.959 8.972 -6.322 511 HA LEU 70 HA LEU 70 7.594 6.759 -6.746 512 1HB LEU 70 HB2 LEU 70 7.815 8.405 -4.931 513 2HB LEU 70 HB3 LEU 70 6.341 7.766 -4.205 514 HG LEU 70 HG LEU 70 7.409 6.224 -3.057 515 1HD1 LEU 70 HD11 LEU 70 8.907 5.520 -5.569 516 2HD1 LEU 70 HD12 LEU 70 9.202 4.735 -4.007 517 3HD1 LEU 70 HD13 LEU 70 7.581 4.686 -4.705 518 1HD2 LEU 70 HD21 LEU 70 9.925 7.588 -4.056 519 2HD2 LEU 70 HD22 LEU 70 8.927 8.094 -2.669 520 3HD2 LEU 70 HD23 LEU 70 9.791 6.546 -2.626 521 H SER 71 H SER 71 4.402 6.902 -5.118 522 HA SER 71 HA SER 71 3.841 4.205 -4.786 523 1HB SER 71 HB2 SER 71 1.487 4.759 -4.956 524 2HB SER 71 HB3 SER 71 2.391 5.936 -3.995 525 HG SER 71 HG SER 71 1.805 6.482 -6.705 526 H LYS 72 H LYS 72 3.443 6.071 -7.890 527 HA LYS 72 HA LYS 72 2.453 3.861 -9.380 528 1HB LYS 72 HB2 LYS 72 3.976 6.360 -10.200 529 2HB LYS 72 HB3 LYS 72 3.484 5.159 -11.374 530 1HG LYS 72 HG2 LYS 72 1.518 6.384 -9.406 531 2HG LYS 72 HG3 LYS 72 1.941 7.197 -10.899 532 1HD LYS 72 HD2 LYS 72 1.301 4.354 -11.423 533 2HD LYS 72 HD3 LYS 72 0.015 5.118 -10.499 534 1HE LYS 72 HE2 LYS 72 -0.519 5.402 -12.825 535 2HE LYS 72 HE3 LYS 72 -0.058 6.987 -12.189 536 1HZ LYS 72 HZ1 LYS 72 2.148 6.621 -13.159 537 2HZ LYS 72 HZ2 LYS 72 1.648 5.184 -13.788 538 3HZ LYS 72 HZ3 LYS 72 0.965 6.587 -14.299 539 H THR 73 H THR 73 5.808 4.828 -8.606 540 HA THR 73 HA THR 73 7.082 2.817 -10.237 541 HB THR 73 HB THR 73 8.004 4.554 -7.928 542 HG1 THR 73 HG1 THR 73 7.740 5.387 -10.042 543 1HG2 THR 73 HG21 THR 73 10.287 3.783 -8.298 544 2HG2 THR 73 HG22 THR 73 9.275 2.528 -7.578 545 3HG2 THR 73 HG23 THR 73 9.687 2.451 -9.311 546 H PHE 74 H PHE 74 5.425 2.641 -7.202 547 HA PHE 74 HA PHE 74 6.432 -0.151 -6.747 548 1HB PHE 74 HB2 PHE 74 4.899 1.785 -4.980 549 2HB PHE 74 HB3 PHE 74 5.052 0.075 -4.603 550 HD1 PHE 74 HD1 PHE 74 6.330 3.022 -3.546 551 HD2 PHE 74 HD2 PHE 74 7.599 -0.871 -4.899 552 HE1 PHE 74 HE1 PHE 74 8.443 3.252 -2.268 553 HE2 PHE 74 HE2 PHE 74 9.737 -0.596 -3.690 554 HZ PHE 74 HZ PHE 74 10.155 1.462 -2.361 555 H ILE 75 H ILE 75 4.072 1.267 -8.605 556 HA ILE 75 HA ILE 75 1.787 -0.238 -7.754 557 HB ILE 75 HB ILE 75 2.098 1.757 -9.456 558 1HG1 ILE 75 HG12 ILE 75 -0.086 -0.299 -9.260 559 2HG1 ILE 75 HG13 ILE 75 0.119 1.268 -8.440 560 1HG2 ILE 75 HG21 ILE 75 3.223 0.344 -11.204 561 2HG2 ILE 75 HG22 ILE 75 1.702 -0.576 -11.355 562 3HG2 ILE 75 HG23 ILE 75 1.769 1.155 -11.764 563 1HD1 ILE 75 HD11 ILE 75 -1.533 1.554 -10.120 564 2HD1 ILE 75 HD12 ILE 75 -0.052 2.410 -10.623 565 3HD1 ILE 75 HD13 ILE 75 -0.492 0.839 -11.363 566 H ILE 76 H ILE 76 1.317 -2.394 -7.970 567 HA ILE 76 HA ILE 76 3.054 -4.041 -9.806 568 HB ILE 76 HB ILE 76 2.110 -5.947 -8.456 569 1HG1 ILE 76 HG12 ILE 76 1.490 -3.798 -6.381 570 2HG1 ILE 76 HG13 ILE 76 0.267 -4.488 -7.431 571 1HG2 ILE 76 HG21 ILE 76 3.877 -3.963 -6.966 572 2HG2 ILE 76 HG22 ILE 76 3.869 -5.744 -6.822 573 3HG2 ILE 76 HG23 ILE 76 4.428 -4.987 -8.304 574 1HD1 ILE 76 HD11 ILE 76 1.898 -6.552 -6.085 575 2HD1 ILE 76 HD12 ILE 76 1.035 -5.476 -4.972 576 3HD1 ILE 76 HD13 ILE 76 0.143 -6.384 -6.214 577 H GLY 77 H GLY 77 0.001 -2.599 -9.598 578 1HA GLY 77 HA1 GLY 77 -0.964 -3.026 -11.999 579 2HA GLY 77 HA2 GLY 77 -1.380 -4.589 -11.242 580 H GLU 78 H GLU 78 -3.560 -4.210 -11.191 581 HA GLU 78 HA GLU 78 -4.555 -2.020 -9.472 582 1HB GLU 78 HB2 GLU 78 -5.018 -2.560 -12.362 583 2HB GLU 78 HB3 GLU 78 -6.438 -2.082 -11.433 584 1HG GLU 78 HG2 GLU 78 -5.693 0.043 -11.092 585 2HG GLU 78 HG3 GLU 78 -3.987 -0.443 -10.963 586 H LEU 79 H LEU 79 -6.823 -2.236 -9.002 587 HA LEU 79 HA LEU 79 -7.261 -4.675 -7.560 588 1HB LEU 79 HB2 LEU 79 -8.135 -2.503 -6.839 589 2HB LEU 79 HB3 LEU 79 -8.996 -2.321 -8.369 590 HG LEU 79 HG LEU 79 -10.232 -4.571 -7.607 591 1HD1 LEU 79 HD11 LEU 79 -8.616 -4.720 -5.588 592 2HD1 LEU 79 HD12 LEU 79 -9.578 -3.369 -4.926 593 3HD1 LEU 79 HD13 LEU 79 -10.340 -4.930 -5.270 594 1HD2 LEU 79 HD21 LEU 79 -11.193 -2.352 -8.025 595 2HD2 LEU 79 HD22 LEU 79 -11.972 -3.209 -6.709 596 3HD2 LEU 79 HD23 LEU 79 -10.832 -1.900 -6.331 597 H HIS 80 H HIS 80 -8.335 -6.519 -8.196 598 HA HIS 80 HA HIS 80 -8.891 -7.156 -10.858 599 1HB HIS 80 HB2 HIS 80 -8.668 -8.601 -8.729 600 2HB HIS 80 HB3 HIS 80 -10.417 -8.422 -8.579 601 HD1 HIS 80 HD1 HIS 80 -11.731 -10.130 -10.173 602 HD2 HIS 80 HD2 HIS 80 -7.597 -9.847 -10.850 603 HE1 HIS 80 HE1 HIS 80 -11.163 -11.933 -11.844 604 HA PRO 81 HA PRO 81 -12.760 -5.236 -11.706 605 1HB PRO 81 HB2 PRO 81 -13.592 -6.618 -13.917 606 2HB PRO 81 HB3 PRO 81 -12.300 -5.385 -13.909 607 1HG PRO 81 HG2 PRO 81 -11.994 -8.390 -13.789 608 2HG PRO 81 HG3 PRO 81 -11.062 -7.221 -14.776 609 1HD PRO 81 HD2 PRO 81 -10.158 -8.257 -12.452 610 2HD PRO 81 HD3 PRO 81 -9.751 -6.593 -12.952 611 H ASP 82 H ASP 82 -12.479 -8.390 -10.499 612 HA ASP 82 HA ASP 82 -15.336 -9.038 -10.428 613 1HB ASP 82 HB2 ASP 82 -13.533 -10.774 -10.473 614 2HB ASP 82 HB3 ASP 82 -13.041 -10.235 -8.825 615 H ASP 83 H ASP 83 -12.991 -7.289 -8.465 616 HA ASP 83 HA ASP 83 -14.533 -7.357 -5.994 617 1HB ASP 83 HB2 ASP 83 -12.115 -7.152 -5.915 618 2HB ASP 83 HB3 ASP 83 -12.188 -5.662 -6.890 619 H ARG 84 H ARG 84 -13.789 -4.901 -8.433 620 HA ARG 84 HA ARG 84 -15.279 -2.792 -7.269 621 1HB ARG 84 HB2 ARG 84 -14.839 -1.588 -9.317 622 2HB ARG 84 HB3 ARG 84 -13.408 -2.534 -8.874 623 1HG ARG 84 HG2 ARG 84 -14.290 -4.344 -10.481 624 2HG ARG 84 HG3 ARG 84 -15.510 -3.195 -10.995 625 1HD ARG 84 HD2 ARG 84 -13.682 -3.154 -12.572 626 2HD ARG 84 HD3 ARG 84 -13.846 -1.602 -11.718 627 HE ARG 84 HE ARG 84 -11.925 -3.373 -10.430 628 1HH1 ARG 84 HH11 ARG 84 -9.157 -1.491 -11.631 629 2HH1 ARG 84 HH12 ARG 84 -9.618 -2.876 -10.698 630 1HH2 ARG 84 HH21 ARG 84 -10.689 -0.659 -13.227 631 2HH2 ARG 84 HH22 ARG 84 -12.344 -1.188 -13.161 632 HHA HEM 201 HGM HEM 201 4.324 10.901 5.091 633 HHB HEM 201 HDM HEM 201 5.670 7.814 -0.433 634 HHC HEM 201 HAM HEM 201 0.969 3.609 0.800 635 HHD HEM 201 HBM HEM 201 -0.148 6.478 6.492 636 1HMA HEM 201 HM81 HEM 201 6.624 9.788 -0.507 637 2HMA HEM 201 HM82 HEM 201 6.854 11.288 0.357 638 3HMA HEM 201 HM83 HEM 201 7.827 9.871 0.793 639 1HAA HEM 201 HAA1 HEM 201 6.680 12.189 2.296 640 2HAA HEM 201 HAA2 HEM 201 5.115 12.541 2.977 641 1HBA HEM 201 HBA1 HEM 201 6.732 10.989 4.853 642 2HBA HEM 201 HBA2 HEM 201 5.882 12.508 5.098 643 1HMB HEM 201 HM11 HEM 201 4.539 4.952 -2.762 644 2HMB HEM 201 HM12 HEM 201 5.011 6.631 -2.480 645 3HMB HEM 201 HM13 HEM 201 5.901 5.295 -1.695 646 HAB HEM 201 HT2A HEM 201 2.817 2.679 -1.159 647 1HBB HEM 201 HV2C HEM 201 1.076 4.748 -2.486 648 2HBB HEM 201 HV2T HEM 201 1.271 2.928 -2.877 649 1HMC HEM 201 HM31 HEM 201 -1.211 2.188 3.506 650 2HMC HEM 201 HM32 HEM 201 -1.976 3.301 2.369 651 3HMC HEM 201 HM33 HEM 201 -0.502 2.404 1.909 652 HAC HEM 201 HT4A HEM 201 -2.248 5.171 5.713 653 1HBC HEM 201 HV4C HEM 201 -0.922 2.412 5.744 654 2HBC HEM 201 HV4T HEM 201 -2.246 3.051 6.882 655 1HMD HEM 201 HM51 HEM 201 1.146 7.171 8.518 656 2HMD HEM 201 HM52 HEM 201 1.556 8.791 9.075 657 3HMD HEM 201 HM53 HEM 201 -0.022 8.487 8.342 658 1HAD HEM 201 HAD1 HEM 201 3.504 10.015 8.450 659 2HAD HEM 201 HAD2 HEM 201 3.807 11.178 7.191 660 1HBD HEM 201 HBD1 HEM 201 1.905 12.349 7.620 661 2HBD HEM 201 HBD2 HEM 201 1.039 10.947 8.260 Start of MODEL 15 1 1H ALA 3 H1 ALA 3 -6.050 -9.101 -19.054 2 2H ALA 3 H2 ALA 3 -7.044 -7.893 -19.487 3 3H ALA 3 H3 ALA 3 -6.432 -8.907 -20.663 4 HA ALA 3 HA ALA 3 -4.247 -8.049 -20.304 5 1HB ALA 3 HB1 ALA 3 -6.270 -5.749 -20.343 6 2HB ALA 3 HB2 ALA 3 -4.578 -5.658 -20.866 7 3HB ALA 3 HB3 ALA 3 -5.733 -6.654 -21.775 8 H VAL 4 H VAL 4 -2.790 -6.982 -18.822 9 HA VAL 4 HA VAL 4 -1.974 -6.496 -16.800 10 HB VAL 4 HB VAL 4 -4.744 -5.380 -16.191 11 1HG1 VAL 4 HG11 VAL 4 -2.181 -5.051 -14.607 12 2HG1 VAL 4 HG12 VAL 4 -3.671 -4.109 -14.398 13 3HG1 VAL 4 HG13 VAL 4 -3.686 -5.838 -14.063 14 1HG2 VAL 4 HG21 VAL 4 -3.717 -3.223 -16.643 15 2HG2 VAL 4 HG22 VAL 4 -2.148 -3.992 -16.957 16 3HG2 VAL 4 HG23 VAL 4 -3.514 -4.258 -18.060 17 H LYS 5 H LYS 5 -1.712 -7.459 -14.707 18 HA LYS 5 HA LYS 5 -3.414 -9.881 -14.248 19 1HB LYS 5 HB2 LYS 5 -1.121 -10.444 -14.738 20 2HB LYS 5 HB3 LYS 5 -0.529 -9.387 -13.439 21 1HG LYS 5 HG2 LYS 5 -1.451 -10.753 -11.743 22 2HG LYS 5 HG3 LYS 5 -2.580 -11.553 -12.842 23 1HD LYS 5 HD2 LYS 5 -0.864 -12.795 -13.923 24 2HD LYS 5 HD3 LYS 5 0.432 -11.894 -13.108 25 1HE LYS 5 HE2 LYS 5 -0.071 -12.862 -10.972 26 2HE LYS 5 HE3 LYS 5 -1.651 -13.451 -11.511 27 1HZ LYS 5 HZ1 LYS 5 0.952 -14.501 -12.403 28 2HZ LYS 5 HZ2 LYS 5 -0.100 -15.226 -11.367 29 3HZ LYS 5 HZ3 LYS 5 -0.521 -15.013 -12.939 30 H TYR 6 H TYR 6 -4.995 -8.553 -13.354 31 HA TYR 6 HA TYR 6 -4.613 -6.810 -11.126 32 1HB TYR 6 HB2 TYR 6 -7.081 -8.446 -11.746 33 2HB TYR 6 HB3 TYR 6 -6.937 -6.879 -10.924 34 HD1 TYR 6 HD1 TYR 6 -6.334 -4.890 -12.213 35 HD2 TYR 6 HD2 TYR 6 -7.390 -8.562 -14.135 36 HE1 TYR 6 HE1 TYR 6 -6.755 -3.635 -14.333 37 HE2 TYR 6 HE2 TYR 6 -7.907 -7.327 -16.223 38 HH TYR 6 HH TYR 6 -7.312 -3.814 -16.535 39 H TYR 7 H TYR 7 -5.434 -7.219 -8.898 40 HA TYR 7 HA TYR 7 -5.206 -10.076 -8.035 41 1HB TYR 7 HB2 TYR 7 -4.136 -7.692 -6.513 42 2HB TYR 7 HB3 TYR 7 -3.981 -9.396 -6.101 43 HD1 TYR 7 HD1 TYR 7 -2.281 -6.635 -7.502 44 HD2 TYR 7 HD2 TYR 7 -2.809 -10.882 -8.036 45 HE1 TYR 7 HE1 TYR 7 -0.231 -6.718 -8.881 46 HE2 TYR 7 HE2 TYR 7 -0.743 -10.960 -9.390 47 HH TYR 7 HH TYR 7 0.806 -9.667 -10.571 48 H THR 8 H THR 8 -6.795 -10.755 -6.642 49 HA THR 8 HA THR 8 -9.143 -9.067 -6.247 50 HB THR 8 HB THR 8 -9.839 -11.224 -5.000 51 HG1 THR 8 HG1 THR 8 -7.549 -11.760 -4.687 52 1HG2 THR 8 HG21 THR 8 -10.054 -12.612 -7.011 53 2HG2 THR 8 HG22 THR 8 -10.473 -10.931 -7.366 54 3HG2 THR 8 HG23 THR 8 -8.889 -11.593 -7.869 55 H LEU 9 H LEU 9 -10.002 -8.522 -4.152 56 HA LEU 9 HA LEU 9 -8.277 -7.460 -2.313 57 1HB LEU 9 HB2 LEU 9 -11.038 -7.737 -2.598 58 2HB LEU 9 HB3 LEU 9 -10.756 -8.550 -1.111 59 HG LEU 9 HG LEU 9 -9.901 -5.691 -1.784 60 1HD1 LEU 9 HD11 LEU 9 -12.318 -5.937 -1.361 61 2HD1 LEU 9 HD12 LEU 9 -11.971 -6.707 0.201 62 3HD1 LEU 9 HD13 LEU 9 -11.523 -5.010 -0.085 63 1HD2 LEU 9 HD21 LEU 9 -9.416 -7.379 0.698 64 2HD2 LEU 9 HD22 LEU 9 -8.219 -6.462 -0.246 65 3HD2 LEU 9 HD23 LEU 9 -9.406 -5.608 0.746 66 H GLU 10 H GLU 10 -9.610 -10.754 -2.372 67 HA GLU 10 HA GLU 10 -8.615 -11.754 0.036 68 1HB GLU 10 HB2 GLU 10 -10.172 -12.868 -1.645 69 2HB GLU 10 HB3 GLU 10 -8.730 -13.366 -2.526 70 1HG GLU 10 HG2 GLU 10 -9.274 -15.197 -1.135 71 2HG GLU 10 HG3 GLU 10 -7.905 -14.426 -0.329 72 H GLU 11 H GLU 11 -6.976 -12.479 -3.106 73 HA GLU 11 HA GLU 11 -4.571 -13.253 -2.154 74 1HB GLU 11 HB2 GLU 11 -5.549 -12.208 -4.731 75 2HB GLU 11 HB3 GLU 11 -3.887 -11.738 -4.429 76 1HG GLU 11 HG2 GLU 11 -3.827 -13.806 -5.594 77 2HG GLU 11 HG3 GLU 11 -3.336 -14.150 -3.933 78 H ILE 12 H ILE 12 -5.502 -9.857 -2.748 79 HA ILE 12 HA ILE 12 -2.969 -8.787 -1.960 80 HB ILE 12 HB ILE 12 -5.751 -7.568 -1.797 81 1HG1 ILE 12 HG12 ILE 12 -3.653 -7.235 -3.991 82 2HG1 ILE 12 HG13 ILE 12 -4.947 -8.401 -4.111 83 1HG2 ILE 12 HG21 ILE 12 -4.888 -5.526 -1.297 84 2HG2 ILE 12 HG22 ILE 12 -3.517 -6.425 -0.638 85 3HG2 ILE 12 HG23 ILE 12 -3.429 -5.762 -2.267 86 1HD1 ILE 12 HD11 ILE 12 -5.559 -6.369 -5.297 87 2HD1 ILE 12 HD12 ILE 12 -6.647 -6.666 -3.941 88 3HD1 ILE 12 HD13 ILE 12 -5.369 -5.428 -3.818 89 H GLN 13 H GLN 13 -5.947 -9.479 -0.051 90 HA GLN 13 HA GLN 13 -5.167 -8.618 2.499 91 1HB GLN 13 HB2 GLN 13 -7.166 -10.543 1.400 92 2HB GLN 13 HB3 GLN 13 -6.734 -10.741 3.061 93 1HG GLN 13 HG2 GLN 13 -7.388 -7.946 2.136 94 2HG GLN 13 HG3 GLN 13 -8.693 -9.134 2.157 95 1HE2 GLN 13 HE21 GLN 13 -9.609 -7.573 3.784 96 2HE2 GLN 13 HE22 GLN 13 -9.150 -7.849 5.458 97 H LYS 14 H LYS 14 -4.596 -11.762 0.879 98 HA LYS 14 HA LYS 14 -3.461 -13.168 3.016 99 1HB LYS 14 HB2 LYS 14 -2.678 -13.178 0.092 100 2HB LYS 14 HB3 LYS 14 -2.116 -14.361 1.234 101 1HG LYS 14 HG2 LYS 14 -5.125 -13.966 0.886 102 2HG LYS 14 HG3 LYS 14 -4.201 -14.722 -0.393 103 1HD LYS 14 HD2 LYS 14 -4.519 -16.652 0.625 104 2HD LYS 14 HD3 LYS 14 -3.243 -16.156 1.728 105 1HE LYS 14 HE2 LYS 14 -5.435 -14.969 2.931 106 2HE LYS 14 HE3 LYS 14 -6.228 -16.315 2.104 107 1HZ LYS 14 HZ1 LYS 14 -5.553 -16.895 4.316 108 2HZ LYS 14 HZ2 LYS 14 -4.685 -17.796 3.245 109 3HZ LYS 14 HZ3 LYS 14 -3.985 -16.511 4.005 110 H HIS 15 H HIS 15 -2.100 -10.472 1.230 111 HA HIS 15 HA HIS 15 0.623 -10.821 2.384 112 1HB HIS 15 HB2 HIS 15 -0.490 -8.846 0.366 113 2HB HIS 15 HB3 HIS 15 1.160 -8.851 0.968 114 HD1 HIS 15 HD1 HIS 15 2.430 -9.454 -1.212 115 HD2 HIS 15 HD2 HIS 15 -0.895 -11.902 -0.451 116 HE1 HIS 15 HE1 HIS 15 2.486 -11.337 -2.932 117 H ASN 16 H ASN 16 -0.527 -10.575 4.526 118 HA ASN 16 HA ASN 16 -0.469 -7.702 5.362 119 1HB ASN 16 HB2 ASN 16 -2.419 -7.916 6.706 120 2HB ASN 16 HB3 ASN 16 -2.866 -8.514 5.115 121 1HD2 ASN 16 HD21 ASN 16 -2.679 -10.939 4.839 122 2HD2 ASN 16 HD22 ASN 16 -3.065 -11.986 6.184 123 H ASN 17 H ASN 17 1.545 -9.986 5.633 124 HA ASN 17 HA ASN 17 2.053 -9.819 8.435 125 1HB ASN 17 HB2 ASN 17 0.006 -11.678 7.940 126 2HB ASN 17 HB3 ASN 17 1.445 -12.688 7.919 127 1HD2 ASN 17 HD21 ASN 17 1.563 -13.677 9.965 128 2HD2 ASN 17 HD22 ASN 17 1.305 -12.796 11.459 129 H SER 18 H SER 18 3.798 -11.532 9.070 130 HA SER 18 HA SER 18 5.917 -12.173 8.776 131 1HB SER 18 HB2 SER 18 4.540 -13.370 6.542 132 2HB SER 18 HB3 SER 18 6.118 -12.837 5.962 133 HG SER 18 HG SER 18 7.067 -14.025 7.626 134 H LYS 19 H LYS 19 5.279 -10.657 5.609 135 HA LYS 19 HA LYS 19 6.702 -8.288 6.292 136 1HB LYS 19 HB2 LYS 19 8.471 -10.301 5.394 137 2HB LYS 19 HB3 LYS 19 8.117 -9.373 3.927 138 1HG LYS 19 HG2 LYS 19 8.524 -7.270 5.267 139 2HG LYS 19 HG3 LYS 19 9.107 -8.292 6.597 140 1HD LYS 19 HD2 LYS 19 11.057 -8.899 5.446 141 2HD LYS 19 HD3 LYS 19 10.372 -8.523 3.848 142 1HE LYS 19 HE2 LYS 19 10.443 -6.159 4.201 143 2HE LYS 19 HE3 LYS 19 10.695 -6.328 5.944 144 1HZ LYS 19 HZ1 LYS 19 12.659 -5.622 4.900 145 2HZ LYS 19 HZ2 LYS 19 12.902 -7.128 5.504 146 3HZ LYS 19 HZ3 LYS 19 12.697 -6.923 3.881 147 H SER 20 H SER 20 5.486 -10.386 3.646 148 HA SER 20 HA SER 20 4.958 -8.660 1.642 149 1HB SER 20 HB2 SER 20 3.085 -10.810 2.688 150 2HB SER 20 HB3 SER 20 3.282 -10.264 1.010 151 HG SER 20 HG SER 20 5.467 -11.001 1.137 152 H THR 21 H THR 21 4.110 -6.706 1.717 153 HA THR 21 HA THR 21 1.642 -6.102 3.286 154 HB THR 21 HB THR 21 4.220 -4.530 2.982 155 HG1 THR 21 HG1 THR 21 4.424 -4.920 5.115 156 1HG2 THR 21 HG21 THR 21 3.250 -2.639 3.646 157 2HG2 THR 21 HG22 THR 21 1.700 -3.326 3.165 158 3HG2 THR 21 HG23 THR 21 2.242 -3.459 4.844 159 H TRP 22 H TRP 22 0.366 -6.318 1.447 160 HA TRP 22 HA TRP 22 0.809 -4.343 -0.772 161 1HB TRP 22 HB2 TRP 22 -0.840 -6.893 -0.583 162 2HB TRP 22 HB3 TRP 22 -0.963 -5.728 -1.885 163 HD1 TRP 22 HD1 TRP 22 2.622 -6.061 -1.028 164 HE1 TRP 22 HE1 TRP 22 3.823 -7.263 -2.778 165 HE3 TRP 22 HE3 TRP 22 -1.455 -7.967 -3.416 166 HZ2 TRP 22 HZ2 TRP 22 3.100 -8.983 -5.136 167 HZ3 TRP 22 HZ3 TRP 22 -1.203 -9.466 -5.322 168 HH2 TRP 22 HH2 TRP 22 1.084 -9.889 -6.302 169 H LEU 23 H LEU 23 -1.575 -3.635 -1.524 170 HA LEU 23 HA LEU 23 -3.700 -3.506 0.279 171 1HB LEU 23 HB2 LEU 23 -3.430 -1.044 0.962 172 2HB LEU 23 HB3 LEU 23 -2.567 -2.251 1.854 173 HG LEU 23 HG LEU 23 -0.507 -1.719 0.292 174 1HD1 LEU 23 HD11 LEU 23 -0.583 0.730 -0.430 175 2HD1 LEU 23 HD12 LEU 23 -1.521 -0.380 -1.436 176 3HD1 LEU 23 HD13 LEU 23 -2.326 0.613 -0.204 177 1HD2 LEU 23 HD21 LEU 23 -1.636 0.140 2.379 178 2HD2 LEU 23 HD22 LEU 23 -0.500 -1.212 2.602 179 3HD2 LEU 23 HD23 LEU 23 0.026 0.233 1.711 180 H ILE 24 H ILE 24 -5.224 -1.703 -0.382 181 HA ILE 24 HA ILE 24 -4.933 -1.186 -3.325 182 HB ILE 24 HB ILE 24 -7.393 -1.708 -1.665 183 1HG1 ILE 24 HG12 ILE 24 -6.610 -3.177 -4.182 184 2HG1 ILE 24 HG13 ILE 24 -5.721 -3.555 -2.710 185 1HG2 ILE 24 HG21 ILE 24 -7.119 -0.853 -4.585 186 2HG2 ILE 24 HG22 ILE 24 -8.604 -1.513 -3.875 187 3HG2 ILE 24 HG23 ILE 24 -7.972 0.030 -3.299 188 1HD1 ILE 24 HD11 ILE 24 -8.747 -3.513 -2.610 189 2HD1 ILE 24 HD12 ILE 24 -7.863 -4.947 -3.153 190 3HD1 ILE 24 HD13 ILE 24 -7.588 -4.303 -1.525 191 H LEU 25 H LEU 25 -4.529 0.799 -3.808 192 HA LEU 25 HA LEU 25 -5.622 3.131 -2.267 193 1HB LEU 25 HB2 LEU 25 -2.925 2.454 -3.275 194 2HB LEU 25 HB3 LEU 25 -3.467 4.101 -3.561 195 HG LEU 25 HG LEU 25 -3.491 4.726 -1.395 196 1HD1 LEU 25 HD11 LEU 25 -4.694 3.206 -0.273 197 2HD1 LEU 25 HD12 LEU 25 -3.772 1.846 -0.889 198 3HD1 LEU 25 HD13 LEU 25 -3.082 2.872 0.400 199 1HD2 LEU 25 HD21 LEU 25 -1.262 4.515 -2.198 200 2HD2 LEU 25 HD22 LEU 25 -1.246 3.958 -0.515 201 3HD2 LEU 25 HD23 LEU 25 -1.182 2.774 -1.822 202 H HIS 26 H HIS 26 -7.424 3.385 -3.491 203 HA HIS 26 HA HIS 26 -8.686 4.142 -5.209 204 1HB HIS 26 HB2 HIS 26 -6.160 5.057 -6.615 205 2HB HIS 26 HB3 HIS 26 -7.801 5.665 -6.810 206 HD1 HIS 26 HD1 HIS 26 -8.639 7.392 -4.852 207 HD2 HIS 26 HD2 HIS 26 -4.746 5.849 -4.526 208 HE1 HIS 26 HE1 HIS 26 -7.444 8.801 -3.089 209 H TYR 27 H TYR 27 -8.523 1.556 -5.299 210 HA TYR 27 HA TYR 27 -8.765 -0.288 -6.550 211 1HB TYR 27 HB2 TYR 27 -8.934 1.564 -8.957 212 2HB TYR 27 HB3 TYR 27 -9.513 -0.083 -8.833 213 HD1 TYR 27 HD1 TYR 27 -10.110 3.406 -7.603 214 HD2 TYR 27 HD2 TYR 27 -11.737 -0.541 -8.138 215 HE1 TYR 27 HE1 TYR 27 -12.239 4.144 -6.584 216 HE2 TYR 27 HE2 TYR 27 -13.880 0.208 -7.174 217 HH TYR 27 HH TYR 27 -15.000 1.930 -6.113 218 H LYS 28 H LYS 28 -5.904 1.133 -6.384 219 HA LYS 28 HA LYS 28 -4.605 -0.642 -8.389 220 1HB LYS 28 HB2 LYS 28 -3.687 2.087 -7.456 221 2HB LYS 28 HB3 LYS 28 -2.781 0.951 -8.475 222 1HG LYS 28 HG2 LYS 28 -4.962 1.023 -9.962 223 2HG LYS 28 HG3 LYS 28 -5.324 2.488 -9.091 224 1HD LYS 28 HD2 LYS 28 -2.557 2.648 -9.985 225 2HD LYS 28 HD3 LYS 28 -3.497 1.949 -11.303 226 1HE LYS 28 HE2 LYS 28 -3.566 4.297 -11.667 227 2HE LYS 28 HE3 LYS 28 -5.163 3.853 -11.050 228 1HZ LYS 28 HZ1 LYS 28 -4.327 5.801 -9.950 229 2HZ LYS 28 HZ2 LYS 28 -4.414 4.569 -8.859 230 3HZ LYS 28 HZ3 LYS 28 -2.954 5.017 -9.478 231 H VAL 29 H VAL 29 -3.017 -1.981 -7.698 232 HA VAL 29 HA VAL 29 -2.724 -2.209 -4.800 233 HB VAL 29 HB VAL 29 -1.805 -4.165 -6.928 234 1HG1 VAL 29 HG11 VAL 29 -2.463 -4.361 -3.952 235 2HG1 VAL 29 HG12 VAL 29 -2.225 -5.771 -5.001 236 3HG1 VAL 29 HG13 VAL 29 -0.899 -4.638 -4.726 237 1HG2 VAL 29 HG21 VAL 29 -4.531 -3.953 -5.618 238 2HG2 VAL 29 HG22 VAL 29 -4.151 -3.786 -7.350 239 3HG2 VAL 29 HG23 VAL 29 -3.931 -5.340 -6.564 240 H TYR 30 H TYR 30 -0.817 -1.907 -3.741 241 HA TYR 30 HA TYR 30 1.638 -1.222 -5.332 242 1HB TYR 30 HB2 TYR 30 0.444 0.123 -2.890 243 2HB TYR 30 HB3 TYR 30 2.035 0.479 -3.527 244 HD1 TYR 30 HD1 TYR 30 -1.593 0.784 -4.058 245 HD2 TYR 30 HD2 TYR 30 2.239 1.540 -5.819 246 HE1 TYR 30 HE1 TYR 30 -2.614 2.487 -5.528 247 HE2 TYR 30 HE2 TYR 30 1.169 3.153 -7.419 248 HH TYR 30 HH TYR 30 -2.177 4.229 -6.894 249 H ASP 31 H ASP 31 3.286 -2.561 -4.851 250 HA ASP 31 HA ASP 31 3.263 -4.108 -2.313 251 1HB ASP 31 HB2 ASP 31 3.833 -5.358 -4.344 252 2HB ASP 31 HB3 ASP 31 5.117 -4.198 -4.733 253 H LEU 32 H LEU 32 3.986 -2.842 -0.626 254 HA LEU 32 HA LEU 32 6.465 -1.238 -1.069 255 1HB LEU 32 HB2 LEU 32 4.423 -0.726 1.049 256 2HB LEU 32 HB3 LEU 32 5.715 0.311 0.607 257 HG LEU 32 HG LEU 32 4.027 -0.179 -1.755 258 1HD1 LEU 32 HD11 LEU 32 2.344 -0.391 0.153 259 2HD1 LEU 32 HD12 LEU 32 2.672 1.330 0.482 260 3HD1 LEU 32 HD13 LEU 32 2.006 0.803 -1.083 261 1HD2 LEU 32 HD21 LEU 32 4.691 2.425 -0.379 262 2HD2 LEU 32 HD22 LEU 32 5.852 1.533 -1.382 263 3HD2 LEU 32 HD23 LEU 32 4.356 2.107 -2.105 264 H THR 33 H THR 33 5.973 -4.142 -0.361 265 HA THR 33 HA THR 33 6.449 -4.595 2.373 266 HB THR 33 HB THR 33 5.684 -6.191 0.585 267 HG1 THR 33 HG1 THR 33 6.467 -6.834 2.714 268 1HG2 THR 33 HG21 THR 33 7.539 -5.752 -1.048 269 2HG2 THR 33 HG22 THR 33 8.605 -6.683 0.036 270 3HG2 THR 33 HG23 THR 33 7.185 -7.455 -0.703 271 H LYS 34 H LYS 34 8.633 -3.859 -0.251 272 HA LYS 34 HA LYS 34 11.025 -3.927 1.567 273 1HB LYS 34 HB2 LYS 34 10.821 -3.750 -1.460 274 2HB LYS 34 HB3 LYS 34 12.323 -3.691 -0.535 275 1HG LYS 34 HG2 LYS 34 12.450 -5.914 -0.403 276 2HG LYS 34 HG3 LYS 34 10.858 -6.008 0.356 277 1HD LYS 34 HD2 LYS 34 9.822 -5.816 -1.952 278 2HD LYS 34 HD3 LYS 34 11.456 -5.915 -2.634 279 1HE LYS 34 HE2 LYS 34 11.786 -8.144 -1.796 280 2HE LYS 34 HE3 LYS 34 10.349 -8.076 -0.769 281 1HZ LYS 34 HZ1 LYS 34 8.982 -8.427 -2.496 282 2HZ LYS 34 HZ2 LYS 34 9.930 -7.688 -3.607 283 3HZ LYS 34 HZ3 LYS 34 10.299 -9.211 -3.100 284 H PHE 35 H PHE 35 8.791 -1.975 1.735 285 HA PHE 35 HA PHE 35 10.574 0.366 1.680 286 1HB PHE 35 HB2 PHE 35 8.679 0.077 -0.280 287 2HB PHE 35 HB3 PHE 35 7.722 0.747 0.969 288 HD1 PHE 35 HD1 PHE 35 7.291 3.036 0.576 289 HD2 PHE 35 HD2 PHE 35 11.275 1.500 -0.131 290 HE1 PHE 35 HE1 PHE 35 8.095 5.320 0.043 291 HE2 PHE 35 HE2 PHE 35 12.058 3.767 -0.637 292 HZ PHE 35 HZ PHE 35 10.489 5.697 -0.532 293 H LEU 36 H LEU 36 9.172 -1.669 3.669 294 HA LEU 36 HA LEU 36 7.282 -0.070 5.124 295 1HB LEU 36 HB2 LEU 36 9.023 -2.433 5.955 296 2HB LEU 36 HB3 LEU 36 7.731 -1.764 6.950 297 HG LEU 36 HG LEU 36 7.293 -2.844 4.124 298 1HD1 LEU 36 HD11 LEU 36 6.425 -4.852 5.184 299 2HD1 LEU 36 HD12 LEU 36 8.109 -4.596 5.648 300 3HD1 LEU 36 HD13 LEU 36 6.808 -4.203 6.799 301 1HD2 LEU 36 HD21 LEU 36 5.453 -1.871 6.349 302 2HD2 LEU 36 HD22 LEU 36 5.518 -1.350 4.647 303 3HD2 LEU 36 HD23 LEU 36 4.908 -2.952 5.064 304 H GLU 37 H GLU 37 10.617 -0.978 6.005 305 HA GLU 37 HA GLU 37 10.893 0.911 8.108 306 1HB GLU 37 HB2 GLU 37 13.272 0.217 7.980 307 2HB GLU 37 HB3 GLU 37 12.150 -1.139 7.977 308 1HG GLU 37 HG2 GLU 37 12.495 -0.796 5.240 309 2HG GLU 37 HG3 GLU 37 14.034 -0.237 5.866 310 H GLU 38 H GLU 38 11.438 1.086 4.634 311 HA GLU 38 HA GLU 38 12.931 3.539 4.629 312 1HB GLU 38 HB2 GLU 38 11.301 2.199 2.469 313 2HB GLU 38 HB3 GLU 38 12.454 3.477 2.213 314 1HG GLU 38 HG2 GLU 38 13.975 1.603 3.635 315 2HG GLU 38 HG3 GLU 38 12.962 0.591 2.593 316 H HIS 39 HN HIS 39 9.464 2.743 4.131 317 HA HIS 39 HA HIS 39 8.506 5.116 3.114 318 1HB HIS 39 HB2 HIS 39 7.087 3.265 3.172 319 2HB HIS 39 HB3 HIS 39 7.213 3.106 4.931 320 HD1 HIS 39 HND HIS 39 5.058 3.853 6.049 321 HD2 HIS 39 HD HIS 39 5.866 5.837 2.432 322 HE1 HIS 39 HE HIS 39 3.078 5.354 5.606 323 HA PRO 40 HA PRO 40 9.529 7.488 6.850 324 1HB PRO 40 HB2 PRO 40 9.534 10.025 5.711 325 2HB PRO 40 HB3 PRO 40 10.853 8.840 5.637 326 1HG PRO 40 HG2 PRO 40 8.983 9.588 3.439 327 2HG PRO 40 HG3 PRO 40 10.634 8.957 3.375 328 1HD PRO 40 HD2 PRO 40 8.174 7.520 3.066 329 2HD PRO 40 HD3 PRO 40 9.831 6.866 3.118 330 H GLY 41 H GLY 41 7.250 6.491 7.222 331 1HA GLY 41 HA1 GLY 41 5.382 8.675 7.902 332 2HA GLY 41 HA2 GLY 41 4.804 7.419 6.781 333 H GLY 42 H GLY 42 5.913 5.123 7.839 334 1HA GLY 42 HA1 GLY 42 6.040 4.482 10.421 335 2HA GLY 42 HA2 GLY 42 4.298 4.785 10.295 336 H GLU 43 H GLU 43 6.671 2.422 9.955 337 HA GLU 43 HA GLU 43 5.532 0.759 7.900 338 1HB GLU 43 HB2 GLU 43 6.748 -1.047 8.966 339 2HB GLU 43 HB3 GLU 43 7.788 0.343 8.639 340 1HG GLU 43 HG2 GLU 43 6.644 -0.186 11.423 341 2HG GLU 43 HG3 GLU 43 8.124 -0.919 10.826 342 H ALA 44 H ALA 44 4.924 1.253 11.372 343 HA ALA 44 HA ALA 44 3.242 -0.943 11.838 344 1HB ALA 44 HB1 ALA 44 2.979 1.844 13.050 345 2HB ALA 44 HB2 ALA 44 2.297 0.336 13.696 346 3HB ALA 44 HB3 ALA 44 4.057 0.551 13.623 347 H VAL 45 H VAL 45 2.160 2.407 10.926 348 HA VAL 45 HA VAL 45 -0.506 1.488 10.465 349 HB VAL 45 HB VAL 45 0.017 3.813 11.017 350 1HG1 VAL 45 HG11 VAL 45 0.683 5.403 9.308 351 2HG1 VAL 45 HG12 VAL 45 1.958 4.196 9.516 352 3HG1 VAL 45 HG13 VAL 45 0.875 4.119 8.103 353 1HG2 VAL 45 HG21 VAL 45 -1.712 4.775 9.540 354 2HG2 VAL 45 HG22 VAL 45 -1.581 3.376 8.458 355 3HG2 VAL 45 HG23 VAL 45 -2.150 3.164 10.127 356 H LEU 46 H LEU 46 2.340 1.973 8.133 357 HA LEU 46 HA LEU 46 0.784 1.361 5.893 358 1HB LEU 46 HB2 LEU 46 3.341 2.044 6.290 359 2HB LEU 46 HB3 LEU 46 3.601 0.315 6.039 360 HG LEU 46 HG LEU 46 2.290 2.380 4.203 361 1HD1 LEU 46 HD11 LEU 46 4.610 0.727 3.295 362 2HD1 LEU 46 HD12 LEU 46 4.239 2.440 3.022 363 3HD1 LEU 46 HD13 LEU 46 4.957 1.909 4.557 364 1HD2 LEU 46 HD21 LEU 46 1.066 0.381 3.778 365 2HD2 LEU 46 HD22 LEU 46 2.299 0.447 2.512 366 3HD2 LEU 46 HD23 LEU 46 2.526 -0.622 3.904 367 H ARG 47 H ARG 47 2.118 -0.814 8.362 368 HA ARG 47 HA ARG 47 1.625 -3.288 6.948 369 1HB ARG 47 HB2 ARG 47 3.419 -3.031 8.595 370 2HB ARG 47 HB3 ARG 47 2.234 -2.690 9.859 371 1HG ARG 47 HG2 ARG 47 3.003 -4.938 10.062 372 2HG ARG 47 HG3 ARG 47 1.302 -4.980 9.627 373 1HD ARG 47 HD2 ARG 47 1.676 -5.871 7.538 374 2HD ARG 47 HD3 ARG 47 3.222 -5.077 7.306 375 HE ARG 47 HE ARG 47 2.735 -7.695 8.406 376 1HH1 ARG 47 HH11 ARG 47 6.149 -8.232 9.204 377 2HH1 ARG 47 HH12 ARG 47 4.584 -8.946 9.110 378 1HH2 ARG 47 HH21 ARG 47 6.303 -5.820 9.110 379 2HH2 ARG 47 HH22 ARG 47 4.886 -4.935 8.628 380 H ALA 48 H ALA 48 -0.014 -1.419 9.519 381 HA ALA 48 HA ALA 48 -1.995 -3.349 10.147 382 1HB ALA 48 HB1 ALA 48 -3.143 -1.448 11.209 383 2HB ALA 48 HB2 ALA 48 -1.391 -1.393 11.538 384 3HB ALA 48 HB3 ALA 48 -2.098 -0.309 10.322 385 H GLN 49 H GLN 49 -2.102 -0.512 7.915 386 HA GLN 49 HA GLN 49 -4.723 -1.188 6.869 387 1HB GLN 49 HB2 GLN 49 -2.505 0.796 6.405 388 2HB GLN 49 HB3 GLN 49 -3.647 0.539 5.117 389 1HG GLN 49 HG2 GLN 49 -4.334 2.391 6.498 390 2HG GLN 49 HG3 GLN 49 -5.542 1.095 6.475 391 1HE2 GLN 49 HE21 GLN 49 -4.382 3.411 8.502 392 2HE2 GLN 49 HE22 GLN 49 -4.521 2.529 10.013 393 H ALA 50 H ALA 50 -1.630 -2.547 6.359 394 HA ALA 50 HA ALA 50 -1.749 -3.133 3.633 395 1HB ALA 50 HB1 ALA 50 0.150 -3.575 5.264 396 2HB ALA 50 HB2 ALA 50 -0.652 -5.117 5.633 397 3HB ALA 50 HB3 ALA 50 -0.117 -4.772 3.982 398 H GLY 51 H GLY 51 -2.320 -5.094 2.555 399 1HA GLY 51 HA1 GLY 51 -3.792 -6.691 1.894 400 2HA GLY 51 HA2 GLY 51 -3.748 -7.266 3.573 401 H GLY 52 H GLY 52 -5.021 -4.305 1.894 402 1HA GLY 52 HA1 GLY 52 -7.756 -4.932 2.220 403 2HA GLY 52 HA2 GLY 52 -7.213 -3.978 3.619 404 H ASP 53 H ASP 53 -8.973 -2.626 2.419 405 HA ASP 53 HA ASP 53 -7.931 -0.853 0.327 406 1HB ASP 53 HB2 ASP 53 -10.393 -1.289 0.620 407 2HB ASP 53 HB3 ASP 53 -10.308 -0.465 2.190 408 H ALA 54 H ALA 54 -6.572 0.794 0.783 409 HA ALA 54 HA ALA 54 -6.676 1.996 3.525 410 1HB ALA 54 HB1 ALA 54 -4.113 1.608 1.943 411 2HB ALA 54 HB2 ALA 54 -4.303 2.264 3.584 412 3HB ALA 54 HB3 ALA 54 -4.634 0.532 3.241 413 H THR 55 H THR 55 -7.967 2.563 0.860 414 HA THR 55 HA THR 55 -6.414 4.649 -0.425 415 HB THR 55 HB THR 55 -9.383 3.961 -0.695 416 HG1 THR 55 HG1 THR 55 -7.827 2.231 -1.184 417 1HG2 THR 55 HG21 THR 55 -9.029 5.020 -2.937 418 2HG2 THR 55 HG22 THR 55 -8.707 6.188 -1.640 419 3HG2 THR 55 HG23 THR 55 -7.350 5.384 -2.462 420 H ALA 56 H ALA 56 -9.360 4.606 1.612 421 HA ALA 56 HA ALA 56 -9.570 7.423 1.911 422 1HB ALA 56 HB1 ALA 56 -11.151 6.969 3.634 423 2HB ALA 56 HB2 ALA 56 -11.346 5.705 2.407 424 3HB ALA 56 HB3 ALA 56 -10.492 5.343 3.924 425 H ASN 57 H ASN 57 -7.704 5.004 3.653 426 HA ASN 57 HA ASN 57 -6.956 6.643 5.895 427 1HB ASN 57 HB2 ASN 57 -6.763 3.927 5.164 428 2HB ASN 57 HB3 ASN 57 -5.091 4.457 5.184 429 1HD2 ASN 57 HD21 ASN 57 -7.965 3.759 7.091 430 2HD2 ASN 57 HD22 ASN 57 -7.181 3.946 8.647 431 H PHE 58 H PHE 58 -5.282 5.630 2.925 432 HA PHE 58 HA PHE 58 -2.882 7.072 3.108 433 1HB PHE 58 HB2 PHE 58 -3.313 5.333 1.463 434 2HB PHE 58 HB3 PHE 58 -4.594 6.268 0.719 435 HD1 PHE 58 HD1 PHE 58 -0.988 5.824 1.001 436 HD2 PHE 58 HD2 PHE 58 -4.102 8.234 -0.723 437 HE1 PHE 58 HE1 PHE 58 0.649 6.791 -0.608 438 HE2 PHE 58 HE2 PHE 58 -2.463 9.248 -2.271 439 HZ PHE 58 HZ PHE 58 -0.088 8.488 -2.252 440 H GLU 59 H GLU 59 -5.976 8.035 1.479 441 HA GLU 59 HA GLU 59 -4.926 10.587 0.755 442 1HB GLU 59 HB2 GLU 59 -7.095 11.077 -0.122 443 2HB GLU 59 HB3 GLU 59 -6.597 9.430 -0.527 444 1HG GLU 59 HG2 GLU 59 -8.693 8.887 0.093 445 2HG GLU 59 HG3 GLU 59 -8.003 8.925 1.716 446 H ALA 60 H ALA 60 -6.985 9.512 3.483 447 HA ALA 60 HA ALA 60 -7.474 11.929 4.711 448 1HB ALA 60 HB1 ALA 60 -7.338 10.631 6.892 449 2HB ALA 60 HB2 ALA 60 -8.392 9.935 5.648 450 3HB ALA 60 HB3 ALA 60 -6.793 9.230 5.949 451 H VAL 61 H VAL 61 -4.452 9.973 5.057 452 HA VAL 61 HA VAL 61 -3.117 11.996 6.650 453 HB VAL 61 HB VAL 61 -2.029 9.724 4.938 454 1HG1 VAL 61 HG11 VAL 61 -0.274 11.436 5.134 455 2HG1 VAL 61 HG12 VAL 61 -0.608 11.616 6.867 456 3HG1 VAL 61 HG13 VAL 61 0.073 10.107 6.224 457 1HG2 VAL 61 HG21 VAL 61 -2.281 10.065 7.965 458 2HG2 VAL 61 HG22 VAL 61 -3.370 9.074 6.974 459 3HG2 VAL 61 HG23 VAL 61 -1.661 8.640 7.106 460 H GLY 62 H GLY 62 -3.042 11.203 3.146 461 1HA GLY 62 HA1 GLY 62 -2.901 12.756 1.398 462 2HA GLY 62 HA2 GLY 62 -2.391 14.040 2.504 463 H HIS 63 HN HIS 63 -1.065 13.452 0.041 464 HA HIS 63 HA HIS 63 1.625 12.597 0.840 465 1HB HIS 63 HB2 HIS 63 -0.296 11.005 -0.910 466 2HB HIS 63 HB3 HIS 63 1.435 10.882 -1.127 467 HD1 HIS 63 HND HIS 63 -1.267 9.658 1.294 468 HD2 HIS 63 HD HIS 63 2.891 9.697 0.746 469 HE1 HIS 63 HE HIS 63 -0.329 7.903 2.857 470 H SER 64 H SER 64 3.142 13.495 -0.585 471 HA SER 64 HA SER 64 2.071 15.713 -2.144 472 1HB SER 64 HB2 SER 64 4.168 15.702 -0.534 473 2HB SER 64 HB3 SER 64 5.025 15.131 -1.979 474 HG SER 64 HG SER 64 5.023 17.365 -2.046 475 H THR 65 H THR 65 3.909 16.178 -4.062 476 HA THR 65 HA THR 65 2.932 14.626 -6.244 477 HB THR 65 HB THR 65 4.556 15.839 -7.617 478 HG1 THR 65 HG1 THR 65 5.674 17.101 -5.357 479 1HG2 THR 65 HG21 THR 65 2.514 17.065 -6.524 480 2HG2 THR 65 HG22 THR 65 3.728 17.885 -5.524 481 3HG2 THR 65 HG23 THR 65 3.787 18.038 -7.288 482 H ASP 66 H ASP 66 6.326 14.787 -5.192 483 HA ASP 66 HA ASP 66 7.290 12.543 -6.360 484 1HB ASP 66 HB2 ASP 66 8.095 14.272 -4.178 485 2HB ASP 66 HB3 ASP 66 8.311 12.621 -3.618 486 H ALA 67 H ALA 67 5.244 12.602 -3.453 487 HA ALA 67 HA ALA 67 5.514 9.802 -2.877 488 1HB ALA 67 HB1 ALA 67 3.665 10.093 -1.391 489 2HB ALA 67 HB2 ALA 67 4.734 11.506 -1.241 490 3HB ALA 67 HB3 ALA 67 3.225 11.628 -2.160 491 H ARG 68 H ARG 68 2.856 11.604 -4.659 492 HA ARG 68 HA ARG 68 1.443 9.169 -5.272 493 1HB ARG 68 HB2 ARG 68 0.055 10.526 -6.670 494 2HB ARG 68 HB3 ARG 68 0.413 11.414 -5.169 495 1HG ARG 68 HG2 ARG 68 2.029 12.728 -6.243 496 2HG ARG 68 HG3 ARG 68 1.889 11.919 -7.801 497 1HD ARG 68 HD2 ARG 68 -0.563 13.170 -6.575 498 2HD ARG 68 HD3 ARG 68 0.731 14.228 -7.164 499 HE ARG 68 HE ARG 68 0.048 12.217 -9.120 500 1HH1 ARG 68 HH11 ARG 68 -1.524 14.534 -11.265 501 2HH1 ARG 68 HH12 ARG 68 -0.754 12.990 -11.171 502 1HH2 ARG 68 HH21 ARG 68 -1.639 15.920 -9.354 503 2HH2 ARG 68 HH22 ARG 68 -1.019 15.321 -7.847 504 H GLU 69 H GLU 69 4.212 10.671 -6.654 505 HA GLU 69 HA GLU 69 4.067 9.167 -9.190 506 1HB GLU 69 HB2 GLU 69 5.922 11.138 -7.948 507 2HB GLU 69 HB3 GLU 69 6.412 10.234 -9.383 508 1HG GLU 69 HG2 GLU 69 3.733 11.675 -9.371 509 2HG GLU 69 HG3 GLU 69 5.222 12.589 -9.628 510 H LEU 70 H LEU 70 5.941 9.103 -6.144 511 HA LEU 70 HA LEU 70 7.602 6.967 -6.771 512 1HB LEU 70 HB2 LEU 70 7.891 8.447 -4.862 513 2HB LEU 70 HB3 LEU 70 6.434 7.794 -4.115 514 HG LEU 70 HG LEU 70 7.442 6.036 -3.201 515 1HD1 LEU 70 HD11 LEU 70 9.109 5.880 -5.684 516 2HD1 LEU 70 HD12 LEU 70 9.427 4.861 -4.260 517 3HD1 LEU 70 HD13 LEU 70 7.835 4.815 -5.021 518 1HD2 LEU 70 HD21 LEU 70 9.872 6.448 -2.672 519 2HD2 LEU 70 HD22 LEU 70 9.808 7.866 -3.727 520 3HD2 LEU 70 HD23 LEU 70 8.775 7.782 -2.278 521 H SER 71 H SER 71 4.494 6.948 -5.060 522 HA SER 71 HA SER 71 3.929 4.249 -4.870 523 1HB SER 71 HB2 SER 71 1.601 4.756 -4.999 524 2HB SER 71 HB3 SER 71 2.432 6.092 -4.162 525 HG SER 71 HG SER 71 1.210 6.029 -6.675 526 H LYS 72 H LYS 72 3.503 6.142 -7.935 527 HA LYS 72 HA LYS 72 2.628 3.901 -9.435 528 1HB LYS 72 HB2 LYS 72 3.925 6.491 -10.269 529 2HB LYS 72 HB3 LYS 72 3.541 5.209 -11.419 530 1HG LYS 72 HG2 LYS 72 1.196 5.156 -10.554 531 2HG LYS 72 HG3 LYS 72 1.539 6.559 -9.545 532 1HD LYS 72 HD2 LYS 72 1.956 6.467 -12.582 533 2HD LYS 72 HD3 LYS 72 0.415 6.956 -11.883 534 1HE LYS 72 HE2 LYS 72 3.115 8.256 -11.377 535 2HE LYS 72 HE3 LYS 72 1.913 8.880 -12.505 536 1HZ LYS 72 HZ1 LYS 72 1.700 8.757 -9.556 537 2HZ LYS 72 HZ2 LYS 72 1.766 10.061 -10.537 538 3HZ LYS 72 HZ3 LYS 72 0.423 9.088 -10.556 539 H THR 73 H THR 73 5.902 4.858 -8.537 540 HA THR 73 HA THR 73 7.231 2.912 -10.255 541 HB THR 73 HB THR 73 8.097 4.775 -8.034 542 HG1 THR 73 HG1 THR 73 7.813 5.446 -10.210 543 1HG2 THR 73 HG21 THR 73 9.445 2.841 -7.545 544 2HG2 THR 73 HG22 THR 73 9.869 2.655 -9.268 545 3HG2 THR 73 HG23 THR 73 10.411 4.080 -8.353 546 H PHE 74 H PHE 74 5.296 2.547 -7.460 547 HA PHE 74 HA PHE 74 6.509 -0.119 -6.845 548 1HB PHE 74 HB2 PHE 74 4.966 1.850 -5.112 549 2HB PHE 74 HB3 PHE 74 5.120 0.150 -4.695 550 HD1 PHE 74 HD1 PHE 74 7.593 -0.845 -4.868 551 HD2 PHE 74 HD2 PHE 74 6.458 3.182 -3.826 552 HE1 PHE 74 HE1 PHE 74 9.736 -0.555 -3.658 553 HE2 PHE 74 HE2 PHE 74 8.567 3.426 -2.537 554 HZ PHE 74 HZ PHE 74 10.215 1.572 -2.491 555 H ILE 75 H ILE 75 4.122 1.314 -8.655 556 HA ILE 75 HA ILE 75 1.834 -0.203 -7.828 557 HB ILE 75 HB ILE 75 2.155 1.840 -9.441 558 1HG1 ILE 75 HG12 ILE 75 -0.024 1.171 -8.773 559 2HG1 ILE 75 HG13 ILE 75 0.012 1.529 -10.502 560 1HG2 ILE 75 HG21 ILE 75 3.529 0.627 -11.123 561 2HG2 ILE 75 HG22 ILE 75 2.155 -0.402 -11.491 562 3HG2 ILE 75 HG23 ILE 75 2.062 1.344 -11.815 563 1HD1 ILE 75 HD11 ILE 75 -1.306 -0.416 -10.234 564 2HD1 ILE 75 HD12 ILE 75 0.243 -1.037 -10.835 565 3HD1 ILE 75 HD13 ILE 75 -0.133 -1.122 -9.108 566 H ILE 76 H ILE 76 1.329 -2.312 -8.169 567 HA ILE 76 HA ILE 76 3.168 -3.967 -9.883 568 HB ILE 76 HB ILE 76 2.360 -5.844 -8.419 569 1HG1 ILE 76 HG12 ILE 76 1.566 -3.616 -6.472 570 2HG1 ILE 76 HG13 ILE 76 0.398 -4.483 -7.443 571 1HG2 ILE 76 HG21 ILE 76 4.603 -4.708 -8.292 572 2HG2 ILE 76 HG22 ILE 76 3.956 -3.637 -7.038 573 3HG2 ILE 76 HG23 ILE 76 4.091 -5.382 -6.753 574 1HD1 ILE 76 HD11 ILE 76 1.220 -5.208 -4.961 575 2HD1 ILE 76 HD12 ILE 76 0.485 -6.311 -6.155 576 3HD1 ILE 76 HD13 ILE 76 2.247 -6.248 -5.958 577 H GLY 77 H GLY 77 -0.263 -3.265 -9.105 578 1HA GLY 77 HA1 GLY 77 -1.133 -3.868 -11.722 579 2HA GLY 77 HA2 GLY 77 -1.472 -5.263 -10.665 580 H GLU 78 H GLU 78 -3.657 -4.539 -11.251 581 HA GLU 78 HA GLU 78 -4.693 -2.282 -9.641 582 1HB GLU 78 HB2 GLU 78 -5.088 -3.040 -12.460 583 2HB GLU 78 HB3 GLU 78 -6.594 -2.811 -11.575 584 1HG GLU 78 HG2 GLU 78 -5.918 -0.620 -10.875 585 2HG GLU 78 HG3 GLU 78 -4.363 -0.766 -11.742 586 H LEU 79 H LEU 79 -6.968 -2.547 -9.137 587 HA LEU 79 HA LEU 79 -7.384 -4.888 -7.516 588 1HB LEU 79 HB2 LEU 79 -8.261 -2.645 -6.956 589 2HB LEU 79 HB3 LEU 79 -9.204 -2.640 -8.453 590 HG LEU 79 HG LEU 79 -10.329 -4.814 -7.479 591 1HD1 LEU 79 HD11 LEU 79 -10.075 -5.332 -5.279 592 2HD1 LEU 79 HD12 LEU 79 -8.481 -4.613 -5.493 593 3HD1 LEU 79 HD13 LEU 79 -9.797 -3.648 -4.789 594 1HD2 LEU 79 HD21 LEU 79 -10.818 -2.037 -6.390 595 2HD2 LEU 79 HD22 LEU 79 -11.448 -2.762 -7.898 596 3HD2 LEU 79 HD23 LEU 79 -11.964 -3.392 -6.337 597 H HIS 80 H HIS 80 -8.371 -6.774 -8.064 598 HA HIS 80 HA HIS 80 -8.906 -7.562 -10.674 599 1HB HIS 80 HB2 HIS 80 -8.615 -8.887 -8.507 600 2HB HIS 80 HB3 HIS 80 -10.373 -8.790 -8.350 601 HD1 HIS 80 HD1 HIS 80 -11.618 -10.610 -9.893 602 HD2 HIS 80 HD2 HIS 80 -7.475 -10.264 -10.472 603 HE1 HIS 80 HE1 HIS 80 -10.959 -12.491 -11.442 604 HA PRO 81 HA PRO 81 -12.828 -5.895 -11.700 605 1HB PRO 81 HB2 PRO 81 -13.562 -7.467 -13.820 606 2HB PRO 81 HB3 PRO 81 -12.337 -6.168 -13.877 607 1HG PRO 81 HG2 PRO 81 -11.871 -9.136 -13.550 608 2HG PRO 81 HG3 PRO 81 -10.995 -7.988 -14.611 609 1HD PRO 81 HD2 PRO 81 -10.040 -8.791 -12.225 610 2HD PRO 81 HD3 PRO 81 -9.766 -7.129 -12.815 611 H ASP 82 H ASP 82 -12.420 -8.934 -10.268 612 HA ASP 82 HA ASP 82 -15.254 -9.679 -10.141 613 1HB ASP 82 HB2 ASP 82 -13.366 -11.338 -10.158 614 2HB ASP 82 HB3 ASP 82 -12.924 -10.759 -8.511 615 H ASP 83 H ASP 83 -12.922 -7.775 -8.269 616 HA ASP 83 HA ASP 83 -14.416 -7.773 -5.775 617 1HB ASP 83 HB2 ASP 83 -12.014 -7.481 -5.778 618 2HB ASP 83 HB3 ASP 83 -12.153 -6.074 -6.856 619 H ARG 84 H ARG 84 -13.842 -5.456 -8.393 620 HA ARG 84 HA ARG 84 -15.489 -3.379 -7.354 621 1HB ARG 84 HB2 ARG 84 -15.100 -2.261 -9.455 622 2HB ARG 84 HB3 ARG 84 -13.609 -3.078 -8.948 623 1HG ARG 84 HG2 ARG 84 -14.337 -5.022 -10.465 624 2HG ARG 84 HG3 ARG 84 -15.629 -3.995 -11.054 625 1HD ARG 84 HD2 ARG 84 -13.799 -3.885 -12.619 626 2HD ARG 84 HD3 ARG 84 -14.067 -2.315 -11.830 627 HE ARG 84 HE ARG 84 -12.039 -3.918 -10.478 628 1HH1 ARG 84 HH11 ARG 84 -9.388 -1.895 -11.711 629 2HH1 ARG 84 HH12 ARG 84 -9.775 -3.276 -10.736 630 1HH2 ARG 84 HH21 ARG 84 -10.958 -1.188 -13.318 631 2HH2 ARG 84 HH22 ARG 84 -12.577 -1.823 -13.262 632 HHA HEM 201 HGM HEM 201 4.744 10.815 5.031 633 HHB HEM 201 HDM HEM 201 5.748 7.785 -0.580 634 HHC HEM 201 HAM HEM 201 0.922 3.731 0.761 635 HHD HEM 201 HBM HEM 201 0.176 6.510 6.536 636 1HMA HEM 201 HM81 HEM 201 7.764 9.132 0.187 637 2HMA HEM 201 HM82 HEM 201 6.616 10.227 -0.605 638 3HMA HEM 201 HM83 HEM 201 7.735 10.834 0.625 639 1HAA HEM 201 HAA1 HEM 201 6.939 12.127 2.122 640 2HAA HEM 201 HAA2 HEM 201 5.493 12.415 3.059 641 1HBA HEM 201 HBA1 HEM 201 7.490 10.723 4.417 642 2HBA HEM 201 HBA2 HEM 201 6.577 12.083 5.057 643 1HMB HEM 201 HM11 HEM 201 4.477 4.921 -2.845 644 2HMB HEM 201 HM12 HEM 201 4.941 6.619 -2.635 645 3HMB HEM 201 HM13 HEM 201 5.860 5.316 -1.827 646 HAB HEM 201 HT2A HEM 201 2.412 2.878 -1.417 647 1HBB HEM 201 HV2C HEM 201 1.010 5.331 -2.499 648 2HBB HEM 201 HV2T HEM 201 0.797 3.537 -2.990 649 1HMC HEM 201 HM31 HEM 201 -1.440 2.499 3.513 650 2HMC HEM 201 HM32 HEM 201 -1.896 3.552 2.166 651 3HMC HEM 201 HM33 HEM 201 -0.497 2.465 2.017 652 HAC HEM 201 HT4A HEM 201 -1.466 3.504 5.859 653 1HBC HEM 201 HV4C HEM 201 -2.237 6.447 5.410 654 2HBC HEM 201 HV4T HEM 201 -3.072 5.199 6.507 655 1HMD HEM 201 HM51 HEM 201 0.338 8.002 8.227 656 2HMD HEM 201 HM52 HEM 201 1.955 7.583 8.836 657 3HMD HEM 201 HM53 HEM 201 1.392 9.259 8.867 658 1HAD HEM 201 HAD1 HEM 201 3.665 9.971 8.516 659 2HAD HEM 201 HAD2 HEM 201 4.439 10.890 7.246 660 1HBD HEM 201 HBD1 HEM 201 2.770 12.458 7.178 661 2HBD HEM 201 HBD2 HEM 201 1.547 11.343 7.795 Start of MODEL 16 1 1H ALA 3 H1 ALA 3 3.216 -4.267 -18.167 2 2H ALA 3 H2 ALA 3 4.337 -5.458 -18.133 3 3H ALA 3 H3 ALA 3 3.773 -4.915 -19.605 4 HA ALA 3 HA ALA 3 1.877 -6.080 -19.484 5 1HB ALA 3 HB1 ALA 3 3.538 -7.844 -18.925 6 2HB ALA 3 HB2 ALA 3 3.411 -7.429 -17.200 7 3HB ALA 3 HB3 ALA 3 2.019 -8.120 -18.054 8 H VAL 4 H VAL 4 -0.014 -6.804 -17.905 9 HA VAL 4 HA VAL 4 -0.207 -5.116 -15.513 10 HB VAL 4 HB VAL 4 -2.301 -5.190 -17.747 11 1HG1 VAL 4 HG11 VAL 4 -3.591 -3.637 -16.320 12 2HG1 VAL 4 HG12 VAL 4 -3.388 -5.188 -15.512 13 3HG1 VAL 4 HG13 VAL 4 -2.387 -3.800 -15.028 14 1HG2 VAL 4 HG21 VAL 4 -1.941 -2.707 -17.777 15 2HG2 VAL 4 HG22 VAL 4 -0.593 -2.920 -16.639 16 3HG2 VAL 4 HG23 VAL 4 -0.504 -3.602 -18.281 17 H LYS 5 H LYS 5 -1.584 -6.155 -13.994 18 HA LYS 5 HA LYS 5 -3.019 -8.519 -14.693 19 1HB LYS 5 HB2 LYS 5 -0.406 -9.063 -14.260 20 2HB LYS 5 HB3 LYS 5 -0.894 -8.987 -12.571 21 1HG LYS 5 HG2 LYS 5 -2.148 -10.928 -12.718 22 2HG LYS 5 HG3 LYS 5 -2.586 -10.694 -14.413 23 1HD LYS 5 HD2 LYS 5 0.312 -11.183 -13.721 24 2HD LYS 5 HD3 LYS 5 -0.812 -12.548 -13.733 25 1HE LYS 5 HE2 LYS 5 -1.377 -12.296 -16.011 26 2HE LYS 5 HE3 LYS 5 -0.740 -10.649 -16.115 27 1HZ LYS 5 HZ1 LYS 5 1.439 -11.464 -16.049 28 2HZ LYS 5 HZ2 LYS 5 0.975 -13.000 -15.674 29 3HZ LYS 5 HZ3 LYS 5 0.639 -12.375 -17.156 30 H TYR 6 H TYR 6 -4.388 -9.100 -12.775 31 HA TYR 6 HA TYR 6 -4.661 -6.758 -11.000 32 1HB TYR 6 HB2 TYR 6 -6.822 -8.625 -12.010 33 2HB TYR 6 HB3 TYR 6 -6.972 -7.182 -11.011 34 HD1 TYR 6 HD1 TYR 6 -7.067 -4.980 -11.996 35 HD2 TYR 6 HD2 TYR 6 -6.235 -8.428 -14.435 36 HE1 TYR 6 HE1 TYR 6 -7.263 -3.583 -14.032 37 HE2 TYR 6 HE2 TYR 6 -6.412 -7.025 -16.475 38 HH TYR 6 HH TYR 6 -7.018 -3.505 -16.300 39 H TYR 7 H TYR 7 -5.422 -7.241 -8.860 40 HA TYR 7 HA TYR 7 -5.060 -10.092 -8.015 41 1HB TYR 7 HB2 TYR 7 -4.151 -7.664 -6.462 42 2HB TYR 7 HB3 TYR 7 -3.897 -9.360 -6.066 43 HD1 TYR 7 HD1 TYR 7 -2.417 -10.760 -7.666 44 HD2 TYR 7 HD2 TYR 7 -2.649 -6.463 -7.875 45 HE1 TYR 7 HE1 TYR 7 -0.309 -10.705 -8.965 46 HE2 TYR 7 HE2 TYR 7 -0.542 -6.413 -9.162 47 HH TYR 7 HH TYR 7 1.396 -9.336 -9.768 48 H THR 8 H THR 8 -6.567 -10.827 -6.565 49 HA THR 8 HA THR 8 -9.036 -9.301 -6.300 50 HB THR 8 HB THR 8 -9.843 -11.281 -5.168 51 HG1 THR 8 HG1 THR 8 -7.680 -12.940 -5.268 52 1HG2 THR 8 HG21 THR 8 -8.145 -12.219 -7.524 53 2HG2 THR 8 HG22 THR 8 -9.676 -12.899 -6.935 54 3HG2 THR 8 HG23 THR 8 -9.652 -11.290 -7.669 55 H LEU 9 H LEU 9 -9.925 -8.637 -4.239 56 HA LEU 9 HA LEU 9 -8.218 -7.429 -2.404 57 1HB LEU 9 HB2 LEU 9 -10.900 -7.590 -2.723 58 2HB LEU 9 HB3 LEU 9 -10.760 -8.602 -1.318 59 HG LEU 9 HG LEU 9 -9.614 -5.764 -1.521 60 1HD1 LEU 9 HD11 LEU 9 -12.284 -6.778 -0.623 61 2HD1 LEU 9 HD12 LEU 9 -11.539 -5.463 0.310 62 3HD1 LEU 9 HD13 LEU 9 -11.825 -5.257 -1.412 63 1HD2 LEU 9 HD21 LEU 9 -9.769 -7.731 0.794 64 2HD2 LEU 9 HD22 LEU 9 -8.322 -6.967 0.091 65 3HD2 LEU 9 HD23 LEU 9 -9.465 -5.994 1.003 66 H GLU 10 H GLU 10 -9.580 -10.696 -2.382 67 HA GLU 10 HA GLU 10 -8.532 -11.688 0.010 68 1HB GLU 10 HB2 GLU 10 -10.105 -12.849 -1.612 69 2HB GLU 10 HB3 GLU 10 -8.688 -13.323 -2.537 70 1HG GLU 10 HG2 GLU 10 -9.265 -15.145 -1.064 71 2HG GLU 10 HG3 GLU 10 -7.756 -14.442 -0.481 72 H GLU 11 H GLU 11 -7.001 -12.086 -3.233 73 HA GLU 11 HA GLU 11 -4.596 -13.197 -2.333 74 1HB GLU 11 HB2 GLU 11 -5.524 -11.849 -4.808 75 2HB GLU 11 HB3 GLU 11 -3.821 -11.582 -4.492 76 1HG GLU 11 HG2 GLU 11 -4.098 -13.604 -5.840 77 2HG GLU 11 HG3 GLU 11 -3.455 -14.023 -4.247 78 H ILE 12 H ILE 12 -5.391 -9.747 -2.756 79 HA ILE 12 HA ILE 12 -2.842 -8.779 -1.900 80 HB ILE 12 HB ILE 12 -5.576 -7.473 -1.740 81 1HG1 ILE 12 HG12 ILE 12 -3.493 -7.115 -3.952 82 2HG1 ILE 12 HG13 ILE 12 -4.728 -8.338 -4.081 83 1HG2 ILE 12 HG21 ILE 12 -2.945 -6.006 -2.079 84 2HG2 ILE 12 HG22 ILE 12 -4.514 -5.373 -1.567 85 3HG2 ILE 12 HG23 ILE 12 -3.561 -6.364 -0.461 86 1HD1 ILE 12 HD11 ILE 12 -5.238 -5.386 -3.803 87 2HD1 ILE 12 HD12 ILE 12 -5.504 -6.377 -5.242 88 3HD1 ILE 12 HD13 ILE 12 -6.502 -6.648 -3.823 89 H GLN 13 H GLN 13 -5.838 -9.526 -0.094 90 HA GLN 13 HA GLN 13 -5.087 -8.724 2.476 91 1HB GLN 13 HB2 GLN 13 -7.184 -10.395 1.310 92 2HB GLN 13 HB3 GLN 13 -6.664 -11.019 2.855 93 1HG GLN 13 HG2 GLN 13 -7.369 -8.085 2.428 94 2HG GLN 13 HG3 GLN 13 -8.569 -9.320 2.825 95 1HE2 GLN 13 HE21 GLN 13 -8.839 -7.744 4.735 96 2HE2 GLN 13 HE22 GLN 13 -7.853 -8.113 6.141 97 H LYS 14 H LYS 14 -4.483 -11.861 0.858 98 HA LYS 14 HA LYS 14 -3.291 -13.186 3.036 99 1HB LYS 14 HB2 LYS 14 -2.679 -13.349 0.063 100 2HB LYS 14 HB3 LYS 14 -1.956 -14.412 1.269 101 1HG LYS 14 HG2 LYS 14 -4.133 -15.261 1.936 102 2HG LYS 14 HG3 LYS 14 -4.968 -14.144 0.845 103 1HD LYS 14 HD2 LYS 14 -4.104 -15.162 -1.115 104 2HD LYS 14 HD3 LYS 14 -2.891 -16.092 -0.244 105 1HE LYS 14 HE2 LYS 14 -5.907 -16.520 0.093 106 2HE LYS 14 HE3 LYS 14 -4.937 -17.338 -1.138 107 1HZ LYS 14 HZ1 LYS 14 -3.534 -18.175 0.687 108 2HZ LYS 14 HZ2 LYS 14 -4.628 -17.591 1.774 109 3HZ LYS 14 HZ3 LYS 14 -5.072 -18.751 0.696 110 H HIS 15 H HIS 15 -2.013 -10.495 1.195 111 HA HIS 15 HA HIS 15 0.749 -10.866 2.247 112 1HB HIS 15 HB2 HIS 15 -0.425 -8.833 0.328 113 2HB HIS 15 HB3 HIS 15 1.229 -8.825 0.914 114 HD1 HIS 15 HD1 HIS 15 2.521 -9.397 -1.239 115 HD2 HIS 15 HD2 HIS 15 -0.769 -11.920 -0.525 116 HE1 HIS 15 HE1 HIS 15 2.600 -11.241 -3.000 117 H ASN 16 H ASN 16 -0.376 -10.753 4.412 118 HA ASN 16 HA ASN 16 -0.234 -7.955 5.436 119 1HB ASN 16 HB2 ASN 16 -2.195 -8.123 6.719 120 2HB ASN 16 HB3 ASN 16 -2.659 -8.620 5.099 121 1HD2 ASN 16 HD21 ASN 16 -2.566 -11.099 4.780 122 2HD2 ASN 16 HD22 ASN 16 -3.021 -12.147 6.098 123 H ASN 17 H ASN 17 1.986 -9.360 5.666 124 HA ASN 17 HA ASN 17 1.925 -10.507 8.465 125 1HB ASN 17 HB2 ASN 17 2.688 -11.858 5.977 126 2HB ASN 17 HB3 ASN 17 4.057 -11.753 7.076 127 1HD2 ASN 17 HD21 ASN 17 4.177 -13.871 7.884 128 2HD2 ASN 17 HD22 ASN 17 2.827 -14.632 8.704 129 H SER 18 H SER 18 4.334 -10.733 9.240 130 HA SER 18 HA SER 18 5.445 -8.022 9.287 131 1HB SER 18 HB2 SER 18 6.435 -10.648 10.475 132 2HB SER 18 HB3 SER 18 7.158 -9.057 10.748 133 HG SER 18 HG SER 18 4.430 -9.651 11.294 134 H LYS 19 H LYS 19 5.427 -8.398 6.768 135 HA LYS 19 HA LYS 19 7.897 -7.916 5.775 136 1HB LYS 19 HB2 LYS 19 7.338 -10.852 5.855 137 2HB LYS 19 HB3 LYS 19 7.598 -10.225 4.234 138 1HG LYS 19 HG2 LYS 19 9.715 -9.146 4.965 139 2HG LYS 19 HG3 LYS 19 9.515 -9.882 6.563 140 1HD LYS 19 HD2 LYS 19 9.453 -12.147 5.441 141 2HD LYS 19 HD3 LYS 19 9.807 -11.337 3.897 142 1HE LYS 19 HE2 LYS 19 11.910 -10.386 4.946 143 2HE LYS 19 HE3 LYS 19 11.555 -11.306 6.417 144 1HZ LYS 19 HZ1 LYS 19 12.082 -12.464 3.758 145 2HZ LYS 19 HZ2 LYS 19 13.126 -12.434 5.028 146 3HZ LYS 19 HZ3 LYS 19 11.748 -13.324 5.123 147 H SER 20 H SER 20 5.411 -10.105 4.381 148 HA SER 20 HA SER 20 4.995 -8.522 2.142 149 1HB SER 20 HB2 SER 20 3.108 -10.588 3.312 150 2HB SER 20 HB3 SER 20 3.248 -10.075 1.614 151 HG SER 20 HG SER 20 4.477 -11.952 1.929 152 H THR 21 H THR 21 4.159 -6.555 2.064 153 HA THR 21 HA THR 21 1.583 -5.938 3.440 154 HB THR 21 HB THR 21 4.162 -4.339 3.507 155 HG1 THR 21 HG1 THR 21 2.469 -5.634 5.302 156 1HG2 THR 21 HG21 THR 21 2.785 -2.560 3.032 157 2HG2 THR 21 HG22 THR 21 1.335 -3.330 3.678 158 3HG2 THR 21 HG23 THR 21 2.553 -2.673 4.779 159 H TRP 22 H TRP 22 0.381 -6.138 1.644 160 HA TRP 22 HA TRP 22 0.879 -4.201 -0.585 161 1HB TRP 22 HB2 TRP 22 -0.712 -6.795 -0.470 162 2HB TRP 22 HB3 TRP 22 -0.778 -5.623 -1.769 163 HD1 TRP 22 HD1 TRP 22 2.774 -6.013 -0.821 164 HE1 TRP 22 HE1 TRP 22 3.982 -7.274 -2.623 165 HE3 TRP 22 HE3 TRP 22 -1.296 -7.845 -3.285 166 HZ2 TRP 22 HZ2 TRP 22 3.267 -8.913 -4.954 167 HZ3 TRP 22 HZ3 TRP 22 -1.031 -9.326 -5.223 168 HH2 TRP 22 HH2 TRP 22 1.255 -9.799 -6.141 169 H LEU 23 H LEU 23 -1.292 -3.367 -1.432 170 HA LEU 23 HA LEU 23 -3.593 -3.329 0.192 171 1HB LEU 23 HB2 LEU 23 -3.345 -0.899 0.979 172 2HB LEU 23 HB3 LEU 23 -2.516 -2.148 1.851 173 HG LEU 23 HG LEU 23 -0.424 -1.550 0.340 174 1HD1 LEU 23 HD11 LEU 23 -0.437 0.864 -0.291 175 2HD1 LEU 23 HD12 LEU 23 -1.644 -0.036 -1.209 176 3HD1 LEU 23 HD13 LEU 23 -2.129 0.935 0.206 177 1HD2 LEU 23 HD21 LEU 23 -1.531 -0.090 2.716 178 2HD2 LEU 23 HD22 LEU 23 -0.145 -1.198 2.585 179 3HD2 LEU 23 HD23 LEU 23 -0.016 0.451 1.954 180 H ILE 24 H ILE 24 -4.960 -1.301 -0.489 181 HA ILE 24 HA ILE 24 -4.704 -1.023 -3.443 182 HB ILE 24 HB ILE 24 -7.187 -1.530 -1.791 183 1HG1 ILE 24 HG12 ILE 24 -6.026 -3.239 -4.030 184 2HG1 ILE 24 HG13 ILE 24 -5.548 -3.490 -2.352 185 1HG2 ILE 24 HG21 ILE 24 -7.666 -0.006 -3.703 186 2HG2 ILE 24 HG22 ILE 24 -6.854 -1.138 -4.804 187 3HG2 ILE 24 HG23 ILE 24 -8.361 -1.598 -3.989 188 1HD1 ILE 24 HD11 ILE 24 -8.290 -3.842 -3.520 189 2HD1 ILE 24 HD12 ILE 24 -7.327 -5.003 -2.594 190 3HD1 ILE 24 HD13 ILE 24 -8.074 -3.620 -1.800 191 H LEU 25 H LEU 25 -4.419 1.039 -3.927 192 HA LEU 25 HA LEU 25 -5.775 3.214 -2.346 193 1HB LEU 25 HB2 LEU 25 -3.031 3.000 -3.535 194 2HB LEU 25 HB3 LEU 25 -3.836 4.557 -3.403 195 HG LEU 25 HG LEU 25 -3.521 4.826 -1.284 196 1HD1 LEU 25 HD11 LEU 25 -3.648 1.861 -0.932 197 2HD1 LEU 25 HD12 LEU 25 -3.265 2.998 0.399 198 3HD1 LEU 25 HD13 LEU 25 -4.819 3.095 -0.444 199 1HD2 LEU 25 HD21 LEU 25 -1.313 4.484 -2.328 200 2HD2 LEU 25 HD22 LEU 25 -1.266 4.029 -0.617 201 3HD2 LEU 25 HD23 LEU 25 -1.319 2.771 -1.855 202 H HIS 26 H HIS 26 -7.586 3.352 -3.554 203 HA HIS 26 HA HIS 26 -8.919 3.996 -5.246 204 1HB HIS 26 HB2 HIS 26 -6.536 5.119 -6.726 205 2HB HIS 26 HB3 HIS 26 -8.229 5.584 -6.858 206 HD1 HIS 26 HD1 HIS 26 -9.147 7.223 -4.841 207 HD2 HIS 26 HD2 HIS 26 -5.117 6.051 -4.713 208 HE1 HIS 26 HE1 HIS 26 -8.004 8.737 -3.129 209 H TYR 27 H TYR 27 -8.508 1.440 -5.295 210 HA TYR 27 HA TYR 27 -8.648 -0.460 -6.505 211 1HB TYR 27 HB2 TYR 27 -9.096 1.324 -8.917 212 2HB TYR 27 HB3 TYR 27 -9.619 -0.335 -8.716 213 HD1 TYR 27 HD1 TYR 27 -10.682 0.099 -5.734 214 HD2 TYR 27 HD2 TYR 27 -11.339 2.015 -9.549 215 HE1 TYR 27 HE1 TYR 27 -12.960 0.711 -5.042 216 HE2 TYR 27 HE2 TYR 27 -13.676 2.492 -8.870 217 HH TYR 27 HH TYR 27 -15.032 2.875 -6.986 218 H LYS 28 H LYS 28 -5.957 0.914 -6.308 219 HA LYS 28 HA LYS 28 -4.583 -0.597 -8.477 220 1HB LYS 28 HB2 LYS 28 -4.030 2.200 -7.454 221 2HB LYS 28 HB3 LYS 28 -2.858 1.238 -8.380 222 1HG LYS 28 HG2 LYS 28 -4.392 1.028 -10.237 223 2HG LYS 28 HG3 LYS 28 -5.696 1.823 -9.328 224 1HD LYS 28 HD2 LYS 28 -4.507 3.896 -9.275 225 2HD LYS 28 HD3 LYS 28 -3.078 3.180 -10.064 226 1HE LYS 28 HE2 LYS 28 -4.102 2.976 -12.149 227 2HE LYS 28 HE3 LYS 28 -5.712 2.762 -11.476 228 1HZ LYS 28 HZ1 LYS 28 -4.718 5.054 -12.519 229 2HZ LYS 28 HZ2 LYS 28 -6.143 4.841 -11.726 230 3HZ LYS 28 HZ3 LYS 28 -4.816 5.347 -10.896 231 H VAL 29 H VAL 29 -2.959 -1.919 -7.799 232 HA VAL 29 HA VAL 29 -2.730 -2.132 -4.875 233 HB VAL 29 HB VAL 29 -1.773 -4.138 -6.915 234 1HG1 VAL 29 HG11 VAL 29 -2.709 -4.450 -4.019 235 2HG1 VAL 29 HG12 VAL 29 -1.919 -5.676 -5.032 236 3HG1 VAL 29 HG13 VAL 29 -1.011 -4.270 -4.457 237 1HG2 VAL 29 HG21 VAL 29 -3.916 -5.310 -6.449 238 2HG2 VAL 29 HG22 VAL 29 -4.510 -3.842 -5.645 239 3HG2 VAL 29 HG23 VAL 29 -4.109 -3.822 -7.377 240 H TYR 30 H TYR 30 -0.890 -1.806 -3.813 241 HA TYR 30 HA TYR 30 1.592 -1.053 -5.316 242 1HB TYR 30 HB2 TYR 30 0.271 0.171 -2.864 243 2HB TYR 30 HB3 TYR 30 1.885 0.583 -3.402 244 HD1 TYR 30 HD1 TYR 30 -1.691 1.086 -3.941 245 HD2 TYR 30 HD2 TYR 30 2.120 1.399 -5.870 246 HE1 TYR 30 HE1 TYR 30 -2.662 2.640 -5.624 247 HE2 TYR 30 HE2 TYR 30 1.108 2.918 -7.582 248 HH TYR 30 HH TYR 30 -2.181 4.219 -7.201 249 H ASP 31 H ASP 31 3.226 -2.453 -4.840 250 HA ASP 31 HA ASP 31 3.106 -4.009 -2.312 251 1HB ASP 31 HB2 ASP 31 3.948 -5.253 -4.239 252 2HB ASP 31 HB3 ASP 31 5.193 -4.017 -4.525 253 H LEU 32 H LEU 32 4.036 -3.193 -0.520 254 HA LEU 32 HA LEU 32 6.204 -1.189 -0.809 255 1HB LEU 32 HB2 LEU 32 4.076 -1.154 1.286 256 2HB LEU 32 HB3 LEU 32 5.231 0.108 1.055 257 HG LEU 32 HG LEU 32 3.209 -0.521 -1.144 258 1HD1 LEU 32 HD11 LEU 32 2.825 1.367 1.187 259 2HD1 LEU 32 HD12 LEU 32 1.769 1.170 -0.235 260 3HD1 LEU 32 HD13 LEU 32 1.977 -0.170 0.892 261 1HD2 LEU 32 HD21 LEU 32 3.870 1.492 -2.079 262 2HD2 LEU 32 HD22 LEU 32 4.460 2.146 -0.535 263 3HD2 LEU 32 HD23 LEU 32 5.402 0.930 -1.421 264 H THR 33 H THR 33 5.840 -4.251 -0.295 265 HA THR 33 HA THR 33 6.415 -4.911 2.339 266 HB THR 33 HB THR 33 7.233 -6.155 -0.298 267 HG1 THR 33 HG1 THR 33 5.147 -6.136 -0.151 268 1HG2 THR 33 HG21 THR 33 7.801 -7.091 2.479 269 2HG2 THR 33 HG22 THR 33 7.182 -8.288 1.317 270 3HG2 THR 33 HG23 THR 33 8.659 -7.380 0.965 271 H LYS 34 H LYS 34 8.782 -4.114 -0.250 272 HA LYS 34 HA LYS 34 10.962 -4.034 1.784 273 1HB LYS 34 HB2 LYS 34 10.843 -4.423 -1.167 274 2HB LYS 34 HB3 LYS 34 12.147 -3.376 -0.612 275 1HG LYS 34 HG2 LYS 34 12.797 -5.143 1.072 276 2HG LYS 34 HG3 LYS 34 11.612 -6.218 0.297 277 1HD LYS 34 HD2 LYS 34 12.858 -5.687 -1.913 278 2HD LYS 34 HD3 LYS 34 14.094 -4.904 -0.904 279 1HE LYS 34 HE2 LYS 34 14.375 -7.093 0.347 280 2HE LYS 34 HE3 LYS 34 13.214 -7.835 -0.770 281 1HZ LYS 34 HZ1 LYS 34 15.827 -6.681 -1.496 282 2HZ LYS 34 HZ2 LYS 34 15.437 -8.277 -1.463 283 3HZ LYS 34 HZ3 LYS 34 14.738 -7.286 -2.573 284 H PHE 35 H PHE 35 8.598 -2.008 1.294 285 HA PHE 35 HA PHE 35 10.284 0.458 1.182 286 1HB PHE 35 HB2 PHE 35 8.149 0.040 -0.406 287 2HB PHE 35 HB3 PHE 35 7.318 0.308 1.063 288 HD1 PHE 35 HD1 PHE 35 10.392 2.134 -0.196 289 HD2 PHE 35 HD2 PHE 35 6.207 2.363 0.846 290 HE1 PHE 35 HE1 PHE 35 10.470 4.562 -0.439 291 HE2 PHE 35 HE2 PHE 35 6.229 4.766 0.286 292 HZ PHE 35 HZ PHE 35 8.393 5.914 -0.202 293 H LEU 36 H LEU 36 8.279 -1.618 3.253 294 HA LEU 36 HA LEU 36 7.272 0.061 5.127 295 1HB LEU 36 HB2 LEU 36 8.877 -2.483 5.595 296 2HB LEU 36 HB3 LEU 36 7.903 -1.714 6.835 297 HG LEU 36 HG LEU 36 6.767 -2.749 4.198 298 1HD1 LEU 36 HD11 LEU 36 6.905 -3.979 6.969 299 2HD1 LEU 36 HD12 LEU 36 5.897 -4.591 5.633 300 3HD1 LEU 36 HD13 LEU 36 7.665 -4.562 5.467 301 1HD2 LEU 36 HD21 LEU 36 5.319 -1.064 5.040 302 2HD2 LEU 36 HD22 LEU 36 4.624 -2.593 5.596 303 3HD2 LEU 36 HD23 LEU 36 5.529 -1.582 6.728 304 H GLU 37 H GLU 37 10.662 -1.062 5.249 305 HA GLU 37 HA GLU 37 11.392 0.586 7.449 306 1HB GLU 37 HB2 GLU 37 12.614 -1.475 5.974 307 2HB GLU 37 HB3 GLU 37 13.612 -0.065 5.603 308 1HG GLU 37 HG2 GLU 37 13.786 0.356 8.091 309 2HG GLU 37 HG3 GLU 37 12.901 -1.160 8.357 310 H GLU 38 H GLU 38 11.518 1.132 3.946 311 HA GLU 38 HA GLU 38 13.100 3.511 3.917 312 1HB GLU 38 HB2 GLU 38 11.010 2.400 2.034 313 2HB GLU 38 HB3 GLU 38 12.045 3.713 1.617 314 1HG GLU 38 HG2 GLU 38 13.897 1.803 2.449 315 2HG GLU 38 HG3 GLU 38 12.650 0.826 1.665 316 H HIS 39 HN HIS 39 9.615 2.905 4.120 317 HA HIS 39 HA HIS 39 8.773 5.563 3.673 318 1HB HIS 39 HB2 HIS 39 7.430 3.563 3.217 319 2HB HIS 39 HB3 HIS 39 7.382 3.189 4.941 320 HD1 HIS 39 HND HIS 39 5.803 4.711 6.467 321 HD2 HIS 39 HD HIS 39 5.707 5.454 2.327 322 HE1 HIS 39 HE HIS 39 3.802 6.159 6.049 323 HA PRO 40 HA PRO 40 9.821 6.991 7.753 324 1HB PRO 40 HB2 PRO 40 8.588 9.440 7.855 325 2HB PRO 40 HB3 PRO 40 10.008 9.080 6.835 326 1HG PRO 40 HG2 PRO 40 7.102 9.129 5.993 327 2HG PRO 40 HG3 PRO 40 8.506 9.856 5.163 328 1HD PRO 40 HD2 PRO 40 7.477 7.429 4.435 329 2HD PRO 40 HD3 PRO 40 9.232 7.769 4.345 330 H GLY 41 H GLY 41 6.332 7.261 6.907 331 1HA GLY 41 HA1 GLY 41 5.297 7.254 9.574 332 2HA GLY 41 HA2 GLY 41 4.446 6.704 8.137 333 H GLY 42 H GLY 42 5.390 5.661 11.051 334 1HA GLY 42 HA1 GLY 42 6.889 3.506 11.177 335 2HA GLY 42 HA2 GLY 42 5.340 3.575 12.026 336 H GLU 43 H GLU 43 7.093 1.478 10.314 337 HA GLU 43 HA GLU 43 5.588 0.429 8.254 338 1HB GLU 43 HB2 GLU 43 6.540 -1.753 8.874 339 2HB GLU 43 HB3 GLU 43 7.747 -0.466 8.764 340 1HG GLU 43 HG2 GLU 43 8.174 -0.466 11.065 341 2HG GLU 43 HG3 GLU 43 6.623 -1.201 11.490 342 H ALA 44 H ALA 44 5.019 0.034 11.747 343 HA ALA 44 HA ALA 44 2.997 -1.855 11.816 344 1HB ALA 44 HB1 ALA 44 3.869 -0.852 13.847 345 2HB ALA 44 HB2 ALA 44 3.217 0.743 13.396 346 3HB ALA 44 HB3 ALA 44 2.115 -0.595 13.785 347 H VAL 45 H VAL 45 2.648 1.647 10.897 348 HA VAL 45 HA VAL 45 -0.216 1.232 10.596 349 HB VAL 45 HB VAL 45 0.934 3.472 11.228 350 1HG1 VAL 45 HG11 VAL 45 1.106 5.055 9.400 351 2HG1 VAL 45 HG12 VAL 45 2.279 3.765 9.133 352 3HG1 VAL 45 HG13 VAL 45 0.776 3.804 8.198 353 1HG2 VAL 45 HG21 VAL 45 -1.115 4.609 10.206 354 2HG2 VAL 45 HG22 VAL 45 -1.496 3.045 9.460 355 3HG2 VAL 45 HG23 VAL 45 -1.422 3.189 11.217 356 H LEU 46 H LEU 46 2.688 1.509 8.212 357 HA LEU 46 HA LEU 46 0.994 0.971 5.997 358 1HB LEU 46 HB2 LEU 46 3.878 0.510 6.655 359 2HB LEU 46 HB3 LEU 46 3.170 -0.367 5.288 360 HG LEU 46 HG LEU 46 2.455 1.598 4.199 361 1HD1 LEU 46 HD11 LEU 46 1.802 3.060 6.071 362 2HD1 LEU 46 HD12 LEU 46 3.505 3.220 6.555 363 3HD1 LEU 46 HD13 LEU 46 2.918 3.851 4.989 364 1HD2 LEU 46 HD21 LEU 46 4.602 2.652 3.686 365 2HD2 LEU 46 HD22 LEU 46 5.308 1.965 5.171 366 3HD2 LEU 46 HD23 LEU 46 4.787 0.902 3.843 367 H ARG 47 H ARG 47 1.962 -1.293 8.535 368 HA ARG 47 HA ARG 47 1.220 -3.614 6.974 369 1HB ARG 47 HB2 ARG 47 2.896 -3.265 9.015 370 2HB ARG 47 HB3 ARG 47 1.496 -3.753 9.967 371 1HG ARG 47 HG2 ARG 47 2.753 -5.251 7.620 372 2HG ARG 47 HG3 ARG 47 3.081 -5.610 9.297 373 1HD ARG 47 HD2 ARG 47 0.189 -5.704 8.538 374 2HD ARG 47 HD3 ARG 47 1.219 -6.879 7.724 375 HE ARG 47 HE ARG 47 1.982 -7.171 10.303 376 1HH1 ARG 47 HH11 ARG 47 -0.473 -9.455 11.372 377 2HH1 ARG 47 HH12 ARG 47 1.149 -8.885 11.608 378 1HH2 ARG 47 HH21 ARG 47 -1.769 -8.575 9.590 379 2HH2 ARG 47 HH22 ARG 47 -1.233 -7.123 8.821 380 H ALA 48 H ALA 48 -0.209 -1.747 9.692 381 HA ALA 48 HA ALA 48 -2.457 -3.450 10.088 382 1HB ALA 48 HB1 ALA 48 -1.615 -1.833 11.730 383 2HB ALA 48 HB2 ALA 48 -2.084 -0.488 10.670 384 3HB ALA 48 HB3 ALA 48 -3.338 -1.545 11.381 385 H GLN 49 H GLN 49 -1.968 -0.573 7.992 386 HA GLN 49 HA GLN 49 -4.673 -0.756 6.861 387 1HB GLN 49 HB2 GLN 49 -2.141 0.825 6.383 388 2HB GLN 49 HB3 GLN 49 -3.531 1.005 5.334 389 1HG GLN 49 HG2 GLN 49 -3.591 1.521 8.340 390 2HG GLN 49 HG3 GLN 49 -3.573 2.754 7.071 391 1HE2 GLN 49 HE21 GLN 49 -5.711 1.235 9.128 392 2HE2 GLN 49 HE22 GLN 49 -7.141 1.487 8.140 393 H ALA 50 H ALA 50 -1.849 -2.611 6.462 394 HA ALA 50 HA ALA 50 -1.929 -3.007 3.654 395 1HB ALA 50 HB1 ALA 50 -0.617 -4.931 3.950 396 2HB ALA 50 HB2 ALA 50 -0.101 -3.823 5.222 397 3HB ALA 50 HB3 ALA 50 -1.176 -5.187 5.602 398 H GLY 51 H GLY 51 -2.823 -4.852 2.543 399 1HA GLY 51 HA1 GLY 51 -3.967 -6.955 2.789 400 2HA GLY 51 HA2 GLY 51 -5.177 -6.214 3.855 401 H GLY 52 H GLY 52 -5.380 -3.726 2.346 402 1HA GLY 52 HA1 GLY 52 -5.850 -3.263 -0.081 403 2HA GLY 52 HA2 GLY 52 -6.830 -4.724 -0.102 404 H ASP 53 H ASP 53 -6.545 -1.906 2.144 405 HA ASP 53 HA ASP 53 -8.905 -0.703 1.154 406 1HB ASP 53 HB2 ASP 53 -10.040 -2.545 2.470 407 2HB ASP 53 HB3 ASP 53 -9.242 -1.941 3.927 408 H ALA 54 H ALA 54 -6.870 0.662 1.096 409 HA ALA 54 HA ALA 54 -6.673 2.259 3.625 410 1HB ALA 54 HB1 ALA 54 -4.255 2.375 3.369 411 2HB ALA 54 HB2 ALA 54 -4.781 0.683 3.505 412 3HB ALA 54 HB3 ALA 54 -4.322 1.338 1.922 413 H THR 55 H THR 55 -7.960 2.492 0.796 414 HA THR 55 HA THR 55 -6.515 4.563 -0.565 415 HB THR 55 HB THR 55 -9.487 3.865 -0.615 416 HG1 THR 55 HG1 THR 55 -7.630 2.297 -1.307 417 1HG2 THR 55 HG21 THR 55 -9.047 6.098 -1.597 418 2HG2 THR 55 HG22 THR 55 -7.687 5.409 -2.513 419 3HG2 THR 55 HG23 THR 55 -9.359 4.918 -2.885 420 H ALA 56 H ALA 56 -9.353 4.745 1.636 421 HA ALA 56 HA ALA 56 -9.415 7.574 1.760 422 1HB ALA 56 HB1 ALA 56 -10.371 5.624 3.899 423 2HB ALA 56 HB2 ALA 56 -10.943 7.278 3.595 424 3HB ALA 56 HB3 ALA 56 -11.270 5.999 2.411 425 H ASN 57 H ASN 57 -7.765 5.161 3.827 426 HA ASN 57 HA ASN 57 -6.809 7.028 5.748 427 1HB ASN 57 HB2 ASN 57 -6.526 4.219 5.199 428 2HB ASN 57 HB3 ASN 57 -4.908 4.866 5.458 429 1HD2 ASN 57 HD21 ASN 57 -4.571 6.202 7.497 430 2HD2 ASN 57 HD22 ASN 57 -5.528 5.739 8.896 431 H PHE 58 H PHE 58 -5.218 5.694 2.825 432 HA PHE 58 HA PHE 58 -2.774 7.073 2.962 433 1HB PHE 58 HB2 PHE 58 -3.169 5.277 1.399 434 2HB PHE 58 HB3 PHE 58 -4.478 6.151 0.623 435 HD1 PHE 58 HD1 PHE 58 -4.077 7.708 -1.162 436 HD2 PHE 58 HD2 PHE 58 -0.798 6.193 1.175 437 HE1 PHE 58 HE1 PHE 58 -2.478 8.595 -2.829 438 HE2 PHE 58 HE2 PHE 58 0.809 7.064 -0.511 439 HZ PHE 58 HZ PHE 58 -0.027 8.258 -2.518 440 H GLU 59 H GLU 59 -5.824 8.068 1.265 441 HA GLU 59 HA GLU 59 -4.657 10.517 0.395 442 1HB GLU 59 HB2 GLU 59 -6.748 11.082 -0.521 443 2HB GLU 59 HB3 GLU 59 -6.414 9.375 -0.802 444 1HG GLU 59 HG2 GLU 59 -8.641 9.272 -0.224 445 2HG GLU 59 HG3 GLU 59 -7.858 8.993 1.330 446 H ALA 60 H ALA 60 -6.813 9.727 3.156 447 HA ALA 60 HA ALA 60 -7.088 12.255 4.254 448 1HB ALA 60 HB1 ALA 60 -7.394 11.071 6.423 449 2HB ALA 60 HB2 ALA 60 -8.300 10.323 5.094 450 3HB ALA 60 HB3 ALA 60 -6.797 9.574 5.679 451 H VAL 61 H VAL 61 -4.379 9.933 4.810 452 HA VAL 61 HA VAL 61 -2.888 11.551 6.620 453 HB VAL 61 HB VAL 61 -2.031 9.520 4.528 454 1HG1 VAL 61 HG11 VAL 61 -0.293 10.738 6.717 455 2HG1 VAL 61 HG12 VAL 61 0.129 9.455 5.566 456 3HG1 VAL 61 HG13 VAL 61 -0.106 11.082 4.986 457 1HG2 VAL 61 HG21 VAL 61 -3.370 8.775 6.618 458 2HG2 VAL 61 HG22 VAL 61 -1.799 7.998 6.359 459 3HG2 VAL 61 HG23 VAL 61 -1.978 9.288 7.566 460 H GLY 62 H GLY 62 -2.738 11.356 3.032 461 1HA GLY 62 HA1 GLY 62 -2.512 13.288 1.657 462 2HA GLY 62 HA2 GLY 62 -1.689 14.171 2.948 463 H HIS 63 HN HIS 63 -0.968 13.338 0.086 464 HA HIS 63 HA HIS 63 1.801 12.442 0.516 465 1HB HIS 63 HB2 HIS 63 -0.385 10.821 -0.874 466 2HB HIS 63 HB3 HIS 63 1.325 10.599 -1.214 467 HD1 HIS 63 HND HIS 63 -1.224 9.727 1.570 468 HD2 HIS 63 HD HIS 63 2.847 9.448 0.574 469 HE1 HIS 63 HE HIS 63 -0.194 8.096 3.213 470 H SER 64 H SER 64 2.826 14.049 -0.645 471 HA SER 64 HA SER 64 1.510 15.710 -2.503 472 1HB SER 64 HB2 SER 64 4.501 15.300 -2.059 473 2HB SER 64 HB3 SER 64 3.730 16.749 -2.733 474 HG SER 64 HG SER 64 2.577 16.895 -0.690 475 H THR 65 H THR 65 2.846 16.260 -4.720 476 HA THR 65 HA THR 65 2.073 14.370 -6.634 477 HB THR 65 HB THR 65 3.650 15.698 -8.100 478 HG1 THR 65 HG1 THR 65 4.779 17.379 -7.102 479 1HG2 THR 65 HG21 THR 65 2.120 17.674 -6.376 480 2HG2 THR 65 HG22 THR 65 2.300 17.619 -8.139 481 3HG2 THR 65 HG23 THR 65 1.233 16.463 -7.324 482 H ASP 66 H ASP 66 5.382 15.049 -5.558 483 HA ASP 66 HA ASP 66 6.741 13.028 -6.813 484 1HB ASP 66 HB2 ASP 66 7.384 14.908 -4.903 485 2HB ASP 66 HB3 ASP 66 7.485 13.454 -3.914 486 H ALA 67 H ALA 67 5.031 12.716 -3.707 487 HA ALA 67 HA ALA 67 5.596 9.940 -3.285 488 1HB ALA 67 HB1 ALA 67 4.825 11.537 -1.522 489 2HB ALA 67 HB2 ALA 67 3.221 11.543 -2.265 490 3HB ALA 67 HB3 ALA 67 3.868 10.040 -1.592 491 H ARG 68 H ARG 68 2.868 11.643 -4.872 492 HA ARG 68 HA ARG 68 1.227 9.343 -5.435 493 1HB ARG 68 HB2 ARG 68 1.388 12.109 -6.687 494 2HB ARG 68 HB3 ARG 68 0.182 10.908 -7.141 495 1HG ARG 68 HG2 ARG 68 -0.799 10.895 -4.953 496 2HG ARG 68 HG3 ARG 68 0.534 11.815 -4.266 497 1HD ARG 68 HD2 ARG 68 -1.259 13.378 -4.503 498 2HD ARG 68 HD3 ARG 68 -0.051 13.765 -5.701 499 HE ARG 68 HE ARG 68 -1.515 13.322 -7.398 500 1HH1 ARG 68 HH11 ARG 68 -4.870 12.233 -7.285 501 2HH1 ARG 68 HH12 ARG 68 -3.653 12.999 -8.252 502 1HH2 ARG 68 HH21 ARG 68 -4.366 11.579 -5.051 503 2HH2 ARG 68 HH22 ARG 68 -2.762 11.877 -4.452 504 H GLU 69 H GLU 69 4.038 10.747 -7.032 505 HA GLU 69 HA GLU 69 3.754 9.055 -9.422 506 1HB GLU 69 HB2 GLU 69 5.622 11.132 -8.414 507 2HB GLU 69 HB3 GLU 69 6.236 10.036 -9.643 508 1HG GLU 69 HG2 GLU 69 3.559 11.462 -9.981 509 2HG GLU 69 HG3 GLU 69 5.088 12.237 -10.394 510 H LEU 70 H LEU 70 5.814 9.197 -6.501 511 HA LEU 70 HA LEU 70 7.357 6.967 -6.966 512 1HB LEU 70 HB2 LEU 70 7.641 8.603 -5.146 513 2HB LEU 70 HB3 LEU 70 6.216 7.926 -4.358 514 HG LEU 70 HG LEU 70 7.366 6.453 -3.282 515 1HD1 LEU 70 HD11 LEU 70 9.037 4.869 -4.262 516 2HD1 LEU 70 HD12 LEU 70 7.357 4.834 -4.796 517 3HD1 LEU 70 HD13 LEU 70 8.615 5.562 -5.843 518 1HD2 LEU 70 HD21 LEU 70 8.952 8.306 -3.084 519 2HD2 LEU 70 HD22 LEU 70 9.725 6.719 -2.936 520 3HD2 LEU 70 HD23 LEU 70 9.882 7.639 -4.452 521 H SER 71 H SER 71 4.190 7.057 -5.270 522 HA SER 71 HA SER 71 3.692 4.362 -4.865 523 1HB SER 71 HB2 SER 71 1.350 4.807 -5.021 524 2HB SER 71 HB3 SER 71 2.160 6.194 -4.254 525 HG SER 71 HG SER 71 1.093 6.005 -6.860 526 H LYS 72 H LYS 72 3.195 6.068 -8.018 527 HA LYS 72 HA LYS 72 2.257 3.773 -9.417 528 1HB LYS 72 HB2 LYS 72 3.763 6.200 -10.464 529 2HB LYS 72 HB3 LYS 72 2.995 4.964 -11.455 530 1HG LYS 72 HG2 LYS 72 0.814 5.459 -10.543 531 2HG LYS 72 HG3 LYS 72 1.480 6.632 -9.386 532 1HD LYS 72 HD2 LYS 72 2.043 8.188 -10.996 533 2HD LYS 72 HD3 LYS 72 2.165 6.995 -12.293 534 1HE LYS 72 HE2 LYS 72 -0.346 6.703 -12.194 535 2HE LYS 72 HE3 LYS 72 -0.407 8.049 -11.035 536 1HZ LYS 72 HZ1 LYS 72 -0.776 8.767 -13.317 537 2HZ LYS 72 HZ2 LYS 72 0.617 9.435 -12.720 538 3HZ LYS 72 HZ3 LYS 72 0.694 8.180 -13.770 539 H THR 73 H THR 73 5.580 4.886 -8.706 540 HA THR 73 HA THR 73 6.907 2.906 -10.325 541 HB THR 73 HB THR 73 7.700 4.924 -8.292 542 HG1 THR 73 HG1 THR 73 8.915 3.944 -10.630 543 1HG2 THR 73 HG21 THR 73 9.486 2.505 -8.708 544 2HG2 THR 73 HG22 THR 73 9.939 4.048 -7.955 545 3HG2 THR 73 HG23 THR 73 8.735 3.018 -7.175 546 H PHE 74 H PHE 74 5.262 2.699 -7.300 547 HA PHE 74 HA PHE 74 6.311 -0.061 -6.798 548 1HB PHE 74 HB2 PHE 74 4.729 1.905 -5.100 549 2HB PHE 74 HB3 PHE 74 4.809 0.200 -4.700 550 HD1 PHE 74 HD1 PHE 74 7.249 -0.887 -4.802 551 HD2 PHE 74 HD2 PHE 74 6.193 3.142 -3.714 552 HE1 PHE 74 HE1 PHE 74 9.349 -0.692 -3.507 553 HE2 PHE 74 HE2 PHE 74 8.301 3.345 -2.442 554 HZ PHE 74 HZ PHE 74 9.864 1.404 -2.299 555 H ILE 75 H ILE 75 3.994 1.278 -8.757 556 HA ILE 75 HA ILE 75 1.701 -0.205 -7.937 557 HB ILE 75 HB ILE 75 1.986 1.699 -9.709 558 1HG1 ILE 75 HG12 ILE 75 -0.082 -0.494 -9.670 559 2HG1 ILE 75 HG13 ILE 75 -0.026 1.039 -8.764 560 1HG2 ILE 75 HG21 ILE 75 1.834 -0.725 -11.522 561 2HG2 ILE 75 HG22 ILE 75 1.852 0.990 -12.008 562 3HG2 ILE 75 HG23 ILE 75 3.302 0.269 -11.321 563 1HD1 ILE 75 HD11 ILE 75 -1.569 1.316 -10.546 564 2HD1 ILE 75 HD12 ILE 75 -0.110 2.295 -10.870 565 3HD1 ILE 75 HD13 ILE 75 -0.390 0.758 -11.746 566 H ILE 76 H ILE 76 1.333 -2.343 -8.019 567 HA ILE 76 HA ILE 76 3.192 -4.079 -9.638 568 HB ILE 76 HB ILE 76 2.237 -5.907 -8.152 569 1HG1 ILE 76 HG12 ILE 76 1.552 -3.547 -6.329 570 2HG1 ILE 76 HG13 ILE 76 0.358 -4.450 -7.258 571 1HG2 ILE 76 HG21 ILE 76 4.007 -5.514 -6.529 572 2HG2 ILE 76 HG22 ILE 76 4.545 -4.866 -8.064 573 3HG2 ILE 76 HG23 ILE 76 3.948 -3.761 -6.815 574 1HD1 ILE 76 HD11 ILE 76 1.046 -5.010 -4.708 575 2HD1 ILE 76 HD12 ILE 76 0.431 -6.229 -5.853 576 3HD1 ILE 76 HD13 ILE 76 2.169 -6.081 -5.542 577 H GLY 77 H GLY 77 -0.053 -2.850 -9.439 578 1HA GLY 77 HA1 GLY 77 -0.887 -3.533 -11.932 579 2HA GLY 77 HA2 GLY 77 -1.250 -4.983 -10.966 580 H GLU 78 H GLU 78 -3.449 -4.623 -11.183 581 HA GLU 78 HA GLU 78 -4.562 -2.267 -9.746 582 1HB GLU 78 HB2 GLU 78 -4.971 -3.154 -12.549 583 2HB GLU 78 HB3 GLU 78 -6.437 -2.768 -11.661 584 1HG GLU 78 HG2 GLU 78 -5.661 -0.592 -11.073 585 2HG GLU 78 HG3 GLU 78 -4.047 -0.902 -11.762 586 H LEU 79 H LEU 79 -6.851 -2.501 -9.270 587 HA LEU 79 HA LEU 79 -7.228 -4.910 -7.660 588 1HB LEU 79 HB2 LEU 79 -7.961 -2.772 -6.793 589 2HB LEU 79 HB3 LEU 79 -8.858 -2.466 -8.292 590 HG LEU 79 HG LEU 79 -10.287 -4.540 -7.694 591 1HD1 LEU 79 HD11 LEU 79 -8.466 -4.851 -5.590 592 2HD1 LEU 79 HD12 LEU 79 -9.915 -4.117 -4.846 593 3HD1 LEU 79 HD13 LEU 79 -10.044 -5.626 -5.740 594 1HD2 LEU 79 HD21 LEU 79 -10.872 -2.101 -7.599 595 2HD2 LEU 79 HD22 LEU 79 -11.817 -3.244 -6.656 596 3HD2 LEU 79 HD23 LEU 79 -10.614 -2.211 -5.845 597 H HIS 80 H HIS 80 -8.356 -6.655 -8.202 598 HA HIS 80 HA HIS 80 -9.075 -7.358 -10.809 599 1HB HIS 80 HB2 HIS 80 -8.822 -8.748 -8.593 600 2HB HIS 80 HB3 HIS 80 -10.553 -8.519 -8.440 601 HD1 HIS 80 HD1 HIS 80 -11.969 -10.148 -10.048 602 HD2 HIS 80 HD2 HIS 80 -7.811 -10.159 -10.646 603 HE1 HIS 80 HE1 HIS 80 -11.496 -12.011 -11.682 604 HA PRO 81 HA PRO 81 -12.829 -5.092 -11.406 605 1HB PRO 81 HB2 PRO 81 -13.907 -6.423 -13.547 606 2HB PRO 81 HB3 PRO 81 -12.515 -5.304 -13.638 607 1HG PRO 81 HG2 PRO 81 -12.443 -8.334 -13.480 608 2HG PRO 81 HG3 PRO 81 -11.521 -7.271 -14.588 609 1HD PRO 81 HD2 PRO 81 -10.469 -8.298 -12.324 610 2HD PRO 81 HD3 PRO 81 -10.023 -6.661 -12.884 611 H ASP 82 H ASP 82 -12.677 -8.402 -10.398 612 HA ASP 82 HA ASP 82 -15.521 -8.909 -10.173 613 1HB ASP 82 HB2 ASP 82 -13.807 -10.704 -10.215 614 2HB ASP 82 HB3 ASP 82 -13.204 -10.132 -8.616 615 H ASP 83 H ASP 83 -13.059 -7.377 -8.161 616 HA ASP 83 HA ASP 83 -14.498 -7.309 -5.685 617 1HB ASP 83 HB2 ASP 83 -12.085 -7.085 -5.815 618 2HB ASP 83 HB3 ASP 83 -12.253 -5.609 -6.791 619 H ARG 84 H ARG 84 -14.328 -5.137 -8.447 620 HA ARG 84 HA ARG 84 -15.249 -2.774 -7.252 621 1HB ARG 84 HB2 ARG 84 -14.548 -3.645 -9.913 622 2HB ARG 84 HB3 ARG 84 -16.145 -2.918 -10.015 623 1HG ARG 84 HG2 ARG 84 -14.739 -1.137 -10.413 624 2HG ARG 84 HG3 ARG 84 -15.229 -0.936 -8.727 625 1HD ARG 84 HD2 ARG 84 -12.816 -0.577 -8.841 626 2HD ARG 84 HD3 ARG 84 -13.158 -2.064 -7.989 627 HE ARG 84 HE ARG 84 -12.070 -3.294 -9.617 628 1HH1 ARG 84 HH11 ARG 84 -10.538 -2.261 -12.611 629 2HH1 ARG 84 HH12 ARG 84 -10.421 -3.386 -11.289 630 1HH2 ARG 84 HH21 ARG 84 -11.877 -0.285 -12.362 631 2HH2 ARG 84 HH22 ARG 84 -12.906 -0.179 -10.963 632 HHA HEM 201 HGM HEM 201 4.771 10.841 5.136 633 HHB HEM 201 HDM HEM 201 5.717 7.934 -0.563 634 HHC HEM 201 HAM HEM 201 0.980 3.798 0.784 635 HHD HEM 201 HBM HEM 201 0.328 6.421 6.646 636 1HMA HEM 201 HM81 HEM 201 6.480 10.084 -0.655 637 2HMA HEM 201 HM82 HEM 201 7.127 11.343 0.376 638 3HMA HEM 201 HM83 HEM 201 7.874 9.732 0.382 639 1HAA HEM 201 HAA1 HEM 201 6.744 11.770 3.973 640 2HAA HEM 201 HAA2 HEM 201 6.897 12.266 2.303 641 1HBA HEM 201 HBA1 HEM 201 5.031 13.213 4.231 642 2HBA HEM 201 HBA2 HEM 201 4.074 12.329 3.042 643 1HMB HEM 201 HM11 HEM 201 4.756 6.883 -2.643 644 2HMB HEM 201 HM12 HEM 201 5.806 5.592 -2.006 645 3HMB HEM 201 HM13 HEM 201 4.356 5.181 -2.917 646 HAB HEM 201 HT2A HEM 201 2.384 2.946 -1.323 647 1HBB HEM 201 HV2C HEM 201 1.010 5.359 -2.442 648 2HBB HEM 201 HV2T HEM 201 0.806 3.545 -2.874 649 1HMC HEM 201 HM31 HEM 201 -2.032 3.585 2.595 650 2HMC HEM 201 HM32 HEM 201 -0.691 2.779 1.767 651 3HMC HEM 201 HM33 HEM 201 -1.089 2.349 3.434 652 HAC HEM 201 HT4A HEM 201 -1.902 5.284 5.921 653 1HBC HEM 201 HV4C HEM 201 -0.593 2.530 5.806 654 2HBC HEM 201 HV4T HEM 201 -1.414 3.336 7.270 655 1HMD HEM 201 HM51 HEM 201 0.528 8.868 8.432 656 2HMD HEM 201 HM52 HEM 201 1.202 7.229 8.574 657 3HMD HEM 201 HM53 HEM 201 2.100 8.600 9.205 658 1HAD HEM 201 HAD1 HEM 201 3.841 9.870 8.676 659 2HAD HEM 201 HAD2 HEM 201 4.693 10.634 7.370 660 1HBD HEM 201 HBD1 HEM 201 1.925 11.554 7.387 661 2HBD HEM 201 HBD2 HEM 201 2.658 11.758 8.986 Start of MODEL 17 1 1H ALA 3 H1 ALA 3 1.503 -10.369 -17.063 2 2H ALA 3 H2 ALA 3 1.332 -11.384 -18.385 3 3H ALA 3 H3 ALA 3 2.335 -10.056 -18.435 4 HA ALA 3 HA ALA 3 -0.580 -10.137 -18.354 5 1HB ALA 3 HB1 ALA 3 -0.095 -8.146 -20.064 6 2HB ALA 3 HB2 ALA 3 1.489 -8.929 -20.194 7 3HB ALA 3 HB3 ALA 3 0.008 -9.834 -20.561 8 H VAL 4 H VAL 4 -1.017 -7.319 -18.488 9 HA VAL 4 HA VAL 4 -0.605 -6.568 -15.686 10 HB VAL 4 HB VAL 4 -2.799 -6.025 -17.734 11 1HG1 VAL 4 HG11 VAL 4 -3.988 -6.068 -15.698 12 2HG1 VAL 4 HG12 VAL 4 -2.687 -5.244 -14.806 13 3HG1 VAL 4 HG13 VAL 4 -3.656 -4.365 -16.006 14 1HG2 VAL 4 HG21 VAL 4 -0.570 -4.336 -16.531 15 2HG2 VAL 4 HG22 VAL 4 -0.852 -4.735 -18.239 16 3HG2 VAL 4 HG23 VAL 4 -1.950 -3.634 -17.398 17 H LYS 5 H LYS 5 -1.767 -7.496 -14.020 18 HA LYS 5 HA LYS 5 -3.896 -9.423 -14.523 19 1HB LYS 5 HB2 LYS 5 -2.010 -10.882 -14.821 20 2HB LYS 5 HB3 LYS 5 -1.234 -10.304 -13.334 21 1HG LYS 5 HG2 LYS 5 -2.854 -11.332 -11.944 22 2HG LYS 5 HG3 LYS 5 -4.010 -11.553 -13.269 23 1HD LYS 5 HD2 LYS 5 -2.759 -13.272 -14.285 24 2HD LYS 5 HD3 LYS 5 -1.294 -12.908 -13.346 25 1HE LYS 5 HE2 LYS 5 -2.300 -13.706 -11.287 26 2HE LYS 5 HE3 LYS 5 -3.890 -13.865 -12.050 27 1HZ LYS 5 HZ1 LYS 5 -2.852 -15.975 -11.857 28 2HZ LYS 5 HZ2 LYS 5 -2.956 -15.598 -13.451 29 3HZ LYS 5 HZ3 LYS 5 -1.509 -15.488 -12.669 30 H TYR 6 H TYR 6 -5.214 -8.177 -13.403 31 HA TYR 6 HA TYR 6 -4.693 -6.650 -11.104 32 1HB TYR 6 HB2 TYR 6 -7.284 -8.038 -11.850 33 2HB TYR 6 HB3 TYR 6 -7.059 -6.554 -10.905 34 HD1 TYR 6 HD1 TYR 6 -6.180 -4.540 -12.040 35 HD2 TYR 6 HD2 TYR 6 -7.541 -7.938 -14.246 36 HE1 TYR 6 HE1 TYR 6 -6.576 -3.066 -14.042 37 HE2 TYR 6 HE2 TYR 6 -7.856 -6.524 -16.254 38 HH TYR 6 HH TYR 6 -7.850 -4.365 -17.099 39 H TYR 7 H TYR 7 -5.460 -7.038 -8.878 40 HA TYR 7 HA TYR 7 -5.296 -9.929 -8.088 41 1HB TYR 7 HB2 TYR 7 -4.278 -7.599 -6.476 42 2HB TYR 7 HB3 TYR 7 -4.066 -9.315 -6.155 43 HD1 TYR 7 HD1 TYR 7 -2.937 -10.600 -8.363 44 HD2 TYR 7 HD2 TYR 7 -2.425 -6.453 -7.313 45 HE1 TYR 7 HE1 TYR 7 -0.774 -10.552 -9.565 46 HE2 TYR 7 HE2 TYR 7 -0.312 -6.394 -8.576 47 HH TYR 7 HH TYR 7 1.190 -9.340 -9.891 48 H THR 8 H THR 8 -6.851 -10.659 -6.742 49 HA THR 8 HA THR 8 -9.235 -9.043 -6.273 50 HB THR 8 HB THR 8 -9.885 -11.291 -5.165 51 HG1 THR 8 HG1 THR 8 -7.587 -11.802 -4.853 52 1HG2 THR 8 HG21 THR 8 -10.498 -10.862 -7.517 53 2HG2 THR 8 HG22 THR 8 -8.885 -11.419 -8.046 54 3HG2 THR 8 HG23 THR 8 -10.014 -12.550 -7.285 55 H LEU 9 H LEU 9 -10.101 -8.623 -4.139 56 HA LEU 9 HA LEU 9 -8.384 -7.539 -2.326 57 1HB LEU 9 HB2 LEU 9 -11.153 -7.923 -2.537 58 2HB LEU 9 HB3 LEU 9 -10.779 -8.744 -1.072 59 HG LEU 9 HG LEU 9 -10.034 -5.849 -1.727 60 1HD1 LEU 9 HD11 LEU 9 -11.682 -5.217 -0.060 61 2HD1 LEU 9 HD12 LEU 9 -12.456 -6.219 -1.295 62 3HD1 LEU 9 HD13 LEU 9 -12.050 -6.922 0.285 63 1HD2 LEU 9 HD21 LEU 9 -9.495 -5.764 0.780 64 2HD2 LEU 9 HD22 LEU 9 -9.502 -7.536 0.755 65 3HD2 LEU 9 HD23 LEU 9 -8.326 -6.632 -0.221 66 H GLU 10 H GLU 10 -9.651 -10.873 -2.326 67 HA GLU 10 HA GLU 10 -8.648 -11.799 0.073 68 1HB GLU 10 HB2 GLU 10 -10.165 -12.959 -1.592 69 2HB GLU 10 HB3 GLU 10 -8.723 -13.435 -2.483 70 1HG GLU 10 HG2 GLU 10 -9.326 -15.259 -1.033 71 2HG GLU 10 HG3 GLU 10 -7.838 -14.553 -0.408 72 H GLU 11 H GLU 11 -7.010 -12.321 -3.082 73 HA GLU 11 HA GLU 11 -4.604 -13.289 -2.096 74 1HB GLU 11 HB2 GLU 11 -5.534 -12.134 -4.673 75 2HB GLU 11 HB3 GLU 11 -3.855 -11.766 -4.335 76 1HG GLU 11 HG2 GLU 11 -3.927 -13.805 -5.583 77 2HG GLU 11 HG3 GLU 11 -3.385 -14.180 -3.944 78 H ILE 12 H ILE 12 -5.510 -9.863 -2.697 79 HA ILE 12 HA ILE 12 -2.983 -8.821 -1.867 80 HB ILE 12 HB ILE 12 -5.747 -7.559 -1.699 81 1HG1 ILE 12 HG12 ILE 12 -3.747 -7.145 -3.963 82 2HG1 ILE 12 HG13 ILE 12 -4.931 -8.429 -4.052 83 1HG2 ILE 12 HG21 ILE 12 -4.761 -5.457 -1.502 84 2HG2 ILE 12 HG22 ILE 12 -3.677 -6.410 -0.493 85 3HG2 ILE 12 HG23 ILE 12 -3.198 -5.986 -2.133 86 1HD1 ILE 12 HD11 ILE 12 -6.781 -6.857 -3.850 87 2HD1 ILE 12 HD12 ILE 12 -5.628 -5.515 -3.681 88 3HD1 ILE 12 HD13 ILE 12 -5.729 -6.406 -5.192 89 H GLN 13 H GLN 13 -5.947 -9.631 -0.054 90 HA GLN 13 HA GLN 13 -5.238 -8.714 2.520 91 1HB GLN 13 HB2 GLN 13 -7.317 -10.404 1.350 92 2HB GLN 13 HB3 GLN 13 -6.811 -11.027 2.891 93 1HG GLN 13 HG2 GLN 13 -7.455 -8.070 2.511 94 2HG GLN 13 HG3 GLN 13 -8.739 -9.259 2.715 95 1HE2 GLN 13 HE21 GLN 13 -8.075 -7.040 4.562 96 2HE2 GLN 13 HE22 GLN 13 -7.738 -7.844 6.085 97 H LYS 14 H LYS 14 -4.583 -11.859 0.966 98 HA LYS 14 HA LYS 14 -3.314 -13.060 3.190 99 1HB LYS 14 HB2 LYS 14 -2.868 -13.397 0.198 100 2HB LYS 14 HB3 LYS 14 -1.978 -14.318 1.413 101 1HG LYS 14 HG2 LYS 14 -4.186 -15.040 2.387 102 2HG LYS 14 HG3 LYS 14 -4.998 -14.299 0.997 103 1HD LYS 14 HD2 LYS 14 -3.819 -15.736 -0.567 104 2HD LYS 14 HD3 LYS 14 -2.808 -16.428 0.708 105 1HE LYS 14 HE2 LYS 14 -5.852 -16.689 0.527 106 2HE LYS 14 HE3 LYS 14 -4.708 -17.910 -0.047 107 1HZ LYS 14 HZ1 LYS 14 -5.612 -18.322 2.180 108 2HZ LYS 14 HZ2 LYS 14 -3.968 -18.276 2.149 109 3HZ LYS 14 HZ3 LYS 14 -4.825 -17.003 2.750 110 H HIS 15 H HIS 15 -2.173 -10.386 1.252 111 HA HIS 15 HA HIS 15 0.606 -10.630 2.322 112 1HB HIS 15 HB2 HIS 15 -0.640 -8.994 0.108 113 2HB HIS 15 HB3 HIS 15 0.997 -8.727 0.720 114 HD1 HIS 15 HD1 HIS 15 2.605 -9.766 -0.974 115 HD2 HIS 15 HD2 HIS 15 -0.915 -11.984 -0.435 116 HE1 HIS 15 HE1 HIS 15 2.891 -11.928 -2.306 117 H ASN 16 H ASN 16 -0.312 -10.276 4.471 118 HA ASN 16 HA ASN 16 -0.460 -7.411 5.183 119 1HB ASN 16 HB2 ASN 16 -2.373 -7.633 6.541 120 2HB ASN 16 HB3 ASN 16 -2.820 -8.255 4.956 121 1HD2 ASN 16 HD21 ASN 16 -2.480 -10.790 4.826 122 2HD2 ASN 16 HD22 ASN 16 -2.849 -11.739 6.253 123 H ASN 17 H ASN 17 1.821 -8.377 5.537 124 HA ASN 17 HA ASN 17 3.402 -8.342 7.220 125 1HB ASN 17 HB2 ASN 17 1.605 -7.310 8.714 126 2HB ASN 17 HB3 ASN 17 1.328 -8.936 9.351 127 1HD2 ASN 17 HD21 ASN 17 1.916 -7.428 11.282 128 2HD2 ASN 17 HD22 ASN 17 3.596 -7.543 11.771 129 H SER 18 H SER 18 3.903 -10.261 5.922 130 HA SER 18 HA SER 18 4.560 -12.516 7.488 131 1HB SER 18 HB2 SER 18 1.876 -12.674 6.260 132 2HB SER 18 HB3 SER 18 2.941 -13.936 5.639 133 HG SER 18 HG SER 18 3.439 -14.416 7.877 134 H LYS 19 H LYS 19 3.524 -11.762 4.152 135 HA LYS 19 HA LYS 19 6.133 -12.812 3.089 136 1HB LYS 19 HB2 LYS 19 3.353 -12.657 1.876 137 2HB LYS 19 HB3 LYS 19 4.806 -13.128 0.976 138 1HG LYS 19 HG2 LYS 19 5.156 -15.088 2.353 139 2HG LYS 19 HG3 LYS 19 3.991 -14.536 3.544 140 1HD LYS 19 HD2 LYS 19 2.688 -16.061 2.521 141 2HD LYS 19 HD3 LYS 19 2.225 -14.621 1.631 142 1HE LYS 19 HE2 LYS 19 2.767 -15.622 -0.303 143 2HE LYS 19 HE3 LYS 19 4.457 -15.726 0.193 144 1HZ LYS 19 HZ1 LYS 19 3.411 -17.863 -0.373 145 2HZ LYS 19 HZ2 LYS 19 4.033 -17.846 1.150 146 3HZ LYS 19 HZ3 LYS 19 2.407 -17.718 0.916 147 H SER 20 H SER 20 3.560 -10.311 2.539 148 HA SER 20 HA SER 20 5.575 -8.341 2.517 149 1HB SER 20 HB2 SER 20 5.956 -8.788 0.217 150 2HB SER 20 HB3 SER 20 4.233 -8.996 -0.127 151 HG SER 20 HG SER 20 5.054 -6.926 -0.820 152 H THR 21 H THR 21 4.519 -6.209 2.167 153 HA THR 21 HA THR 21 1.801 -5.996 3.400 154 HB THR 21 HB THR 21 4.266 -4.223 3.319 155 HG1 THR 21 HG1 THR 21 2.536 -5.148 5.356 156 1HG2 THR 21 HG21 THR 21 2.867 -2.462 2.974 157 2HG2 THR 21 HG22 THR 21 1.425 -3.308 3.531 158 3HG2 THR 21 HG23 THR 21 2.575 -2.656 4.706 159 H TRP 22 H TRP 22 0.474 -6.243 1.643 160 HA TRP 22 HA TRP 22 0.819 -4.354 -0.665 161 1HB TRP 22 HB2 TRP 22 -0.835 -6.873 -0.290 162 2HB TRP 22 HB3 TRP 22 -0.967 -5.782 -1.656 163 HD1 TRP 22 HD1 TRP 22 2.613 -6.222 -0.764 164 HE1 TRP 22 HE1 TRP 22 3.777 -7.472 -2.540 165 HE3 TRP 22 HE3 TRP 22 -1.504 -7.879 -3.290 166 HZ2 TRP 22 HZ2 TRP 22 3.048 -9.111 -4.876 167 HZ3 TRP 22 HZ3 TRP 22 -1.253 -9.320 -5.263 168 HH2 TRP 22 HH2 TRP 22 1.030 -9.879 -6.133 169 H LEU 23 H LEU 23 -1.472 -3.584 -1.401 170 HA LEU 23 HA LEU 23 -3.545 -3.331 0.438 171 1HB LEU 23 HB2 LEU 23 -3.162 -0.807 0.937 172 2HB LEU 23 HB3 LEU 23 -2.439 -2.045 1.923 173 HG LEU 23 HG LEU 23 -0.291 -1.730 0.357 174 1HD1 LEU 23 HD11 LEU 23 -1.708 0.891 0.035 175 2HD1 LEU 23 HD12 LEU 23 -0.079 0.488 -0.532 176 3HD1 LEU 23 HD13 LEU 23 -1.488 -0.290 -1.282 177 1HD2 LEU 23 HD21 LEU 23 0.147 0.406 1.804 178 2HD2 LEU 23 HD22 LEU 23 -1.319 -0.127 2.667 179 3HD2 LEU 23 HD23 LEU 23 0.075 -1.218 2.528 180 H ILE 24 H ILE 24 -4.951 -1.325 -0.294 181 HA ILE 24 HA ILE 24 -4.876 -1.167 -3.272 182 HB ILE 24 HB ILE 24 -7.200 -1.726 -1.418 183 1HG1 ILE 24 HG12 ILE 24 -6.350 -3.193 -3.953 184 2HG1 ILE 24 HG13 ILE 24 -5.590 -3.560 -2.418 185 1HG2 ILE 24 HG21 ILE 24 -7.255 -1.016 -4.390 186 2HG2 ILE 24 HG22 ILE 24 -8.630 -1.653 -3.467 187 3HG2 ILE 24 HG23 ILE 24 -7.974 -0.063 -3.072 188 1HD1 ILE 24 HD11 ILE 24 -7.268 -4.947 -1.887 189 2HD1 ILE 24 HD12 ILE 24 -8.435 -3.604 -1.939 190 3HD1 ILE 24 HD13 ILE 24 -8.064 -4.569 -3.367 191 H LEU 25 H LEU 25 -4.512 0.875 -3.761 192 HA LEU 25 HA LEU 25 -5.662 3.115 -2.114 193 1HB LEU 25 HB2 LEU 25 -3.005 2.692 -3.509 194 2HB LEU 25 HB3 LEU 25 -3.657 4.319 -3.289 195 HG LEU 25 HG LEU 25 -3.118 4.529 -1.246 196 1HD1 LEU 25 HD11 LEU 25 -3.029 2.791 0.465 197 2HD1 LEU 25 HD12 LEU 25 -4.595 3.021 -0.304 198 3HD1 LEU 25 HD13 LEU 25 -3.594 1.616 -0.751 199 1HD2 LEU 25 HD21 LEU 25 -0.927 3.385 -0.689 200 2HD2 LEU 25 HD22 LEU 25 -1.207 2.273 -2.025 201 3HD2 LEU 25 HD23 LEU 25 -1.025 4.004 -2.335 202 H HIS 26 H HIS 26 -7.575 2.908 -3.352 203 HA HIS 26 HA HIS 26 -8.977 3.620 -4.991 204 1HB HIS 26 HB2 HIS 26 -6.648 4.974 -6.428 205 2HB HIS 26 HB3 HIS 26 -8.372 5.239 -6.640 206 HD1 HIS 26 HD1 HIS 26 -9.577 6.794 -4.855 207 HD2 HIS 26 HD2 HIS 26 -5.499 5.975 -4.154 208 HE1 HIS 26 HE1 HIS 26 -8.837 8.344 -2.999 209 H TYR 27 H TYR 27 -8.681 1.188 -5.187 210 HA TYR 27 HA TYR 27 -8.748 -0.614 -6.510 211 1HB TYR 27 HB2 TYR 27 -9.043 1.370 -8.808 212 2HB TYR 27 HB3 TYR 27 -9.498 -0.322 -8.804 213 HD1 TYR 27 HD1 TYR 27 -11.702 -0.928 -8.336 214 HD2 TYR 27 HD2 TYR 27 -10.341 2.997 -7.235 215 HE1 TYR 27 HE1 TYR 27 -13.912 -0.450 -7.327 216 HE2 TYR 27 HE2 TYR 27 -12.561 3.496 -6.269 217 HH TYR 27 HH TYR 27 -15.218 1.108 -6.247 218 H LYS 28 H LYS 28 -6.054 0.673 -6.043 219 HA LYS 28 HA LYS 28 -4.470 -0.441 -8.318 220 1HB LYS 28 HB2 LYS 28 -4.171 2.141 -6.836 221 2HB LYS 28 HB3 LYS 28 -2.886 1.437 -7.806 222 1HG LYS 28 HG2 LYS 28 -5.513 1.742 -9.198 223 2HG LYS 28 HG3 LYS 28 -4.793 3.244 -8.626 224 1HD LYS 28 HD2 LYS 28 -2.588 2.471 -9.766 225 2HD LYS 28 HD3 LYS 28 -3.518 1.169 -10.476 226 1HE LYS 28 HE2 LYS 28 -3.768 2.756 -12.167 227 2HE LYS 28 HE3 LYS 28 -5.177 3.161 -11.185 228 1HZ LYS 28 HZ1 LYS 28 -2.555 4.464 -11.191 229 2HZ LYS 28 HZ2 LYS 28 -4.006 5.140 -11.600 230 3HZ LYS 28 HZ3 LYS 28 -3.671 4.767 -10.026 231 H VAL 29 H VAL 29 -3.036 -1.929 -7.611 232 HA VAL 29 HA VAL 29 -2.649 -2.198 -4.720 233 HB VAL 29 HB VAL 29 -1.843 -4.165 -6.864 234 1HG1 VAL 29 HG11 VAL 29 -2.612 -4.518 -3.930 235 2HG1 VAL 29 HG12 VAL 29 -2.001 -5.772 -5.024 236 3HG1 VAL 29 HG13 VAL 29 -0.938 -4.454 -4.506 237 1HG2 VAL 29 HG21 VAL 29 -4.526 -3.773 -5.514 238 2HG2 VAL 29 HG22 VAL 29 -4.155 -3.858 -7.256 239 3HG2 VAL 29 HG23 VAL 29 -4.019 -5.302 -6.255 240 H TYR 30 H TYR 30 -0.727 -2.015 -3.728 241 HA TYR 30 HA TYR 30 1.695 -1.282 -5.324 242 1HB TYR 30 HB2 TYR 30 0.552 0.002 -2.824 243 2HB TYR 30 HB3 TYR 30 2.145 0.341 -3.483 244 HD1 TYR 30 HD1 TYR 30 -1.514 0.723 -4.058 245 HD2 TYR 30 HD2 TYR 30 2.420 1.659 -5.514 246 HE1 TYR 30 HE1 TYR 30 -2.468 2.461 -5.564 247 HE2 TYR 30 HE2 TYR 30 1.411 3.346 -7.069 248 HH TYR 30 HH TYR 30 -0.414 4.578 -7.541 249 H ASP 31 H ASP 31 3.144 -2.887 -5.017 250 HA ASP 31 HA ASP 31 3.205 -4.471 -2.498 251 1HB ASP 31 HB2 ASP 31 3.450 -5.741 -4.570 252 2HB ASP 31 HB3 ASP 31 4.761 -4.658 -5.099 253 H LEU 32 H LEU 32 4.106 -3.163 -0.915 254 HA LEU 32 HA LEU 32 6.600 -1.706 -1.614 255 1HB LEU 32 HB2 LEU 32 4.753 -1.279 0.745 256 2HB LEU 32 HB3 LEU 32 6.216 -0.426 0.370 257 HG LEU 32 HG LEU 32 4.576 -0.381 -2.015 258 1HD1 LEU 32 HD11 LEU 32 2.558 0.687 -1.242 259 2HD1 LEU 32 HD12 LEU 32 2.702 -0.853 -0.390 260 3HD1 LEU 32 HD13 LEU 32 3.114 0.663 0.444 261 1HD2 LEU 32 HD21 LEU 32 4.834 1.975 -1.836 262 2HD2 LEU 32 HD22 LEU 32 5.148 1.879 -0.088 263 3HD2 LEU 32 HD23 LEU 32 6.333 1.238 -1.250 264 H THR 33 H THR 33 5.706 -2.800 1.610 265 HA THR 33 HA THR 33 6.708 -3.944 3.136 266 HB THR 33 HB THR 33 6.535 -5.671 0.936 267 HG1 THR 33 HG1 THR 33 6.802 -6.117 3.728 268 1HG2 THR 33 HG21 THR 33 8.082 -7.450 1.600 269 2HG2 THR 33 HG22 THR 33 8.898 -6.060 0.875 270 3HG2 THR 33 HG23 THR 33 8.957 -6.313 2.646 271 H LYS 34 H LYS 34 9.114 -3.728 0.502 272 HA LYS 34 HA LYS 34 11.360 -3.535 2.386 273 1HB LYS 34 HB2 LYS 34 10.946 -3.513 -0.613 274 2HB LYS 34 HB3 LYS 34 12.459 -2.877 0.061 275 1HG LYS 34 HG2 LYS 34 12.997 -4.873 1.159 276 2HG LYS 34 HG3 LYS 34 11.379 -5.577 0.968 277 1HD LYS 34 HD2 LYS 34 11.657 -5.843 -1.411 278 2HD LYS 34 HD3 LYS 34 13.139 -4.864 -1.394 279 1HE LYS 34 HE2 LYS 34 14.019 -6.716 0.300 280 2HE LYS 34 HE3 LYS 34 12.710 -7.702 -0.365 281 1HZ LYS 34 HZ1 LYS 34 14.880 -6.414 -1.896 282 2HZ LYS 34 HZ2 LYS 34 14.812 -8.008 -1.504 283 3HZ LYS 34 HZ3 LYS 34 13.704 -7.370 -2.544 284 H PHE 35 H PHE 35 8.864 -1.487 1.397 285 HA PHE 35 HA PHE 35 10.511 0.930 1.822 286 1HB PHE 35 HB2 PHE 35 8.761 0.507 -0.140 287 2HB PHE 35 HB3 PHE 35 7.623 0.890 1.108 288 HD1 PHE 35 HD1 PHE 35 6.795 3.106 0.909 289 HD2 PHE 35 HD2 PHE 35 10.968 2.359 0.078 290 HE1 PHE 35 HE1 PHE 35 7.148 5.513 0.467 291 HE2 PHE 35 HE2 PHE 35 11.311 4.768 -0.319 292 HZ PHE 35 HZ PHE 35 9.417 6.361 -0.081 293 H LEU 36 H LEU 36 8.970 -1.283 3.812 294 HA LEU 36 HA LEU 36 7.073 0.311 5.181 295 1HB LEU 36 HB2 LEU 36 8.812 -1.966 6.180 296 2HB LEU 36 HB3 LEU 36 7.489 -1.276 7.120 297 HG LEU 36 HG LEU 36 7.075 -2.319 4.332 298 1HD1 LEU 36 HD11 LEU 36 6.206 -4.410 5.459 299 2HD1 LEU 36 HD12 LEU 36 7.930 -4.161 5.799 300 3HD1 LEU 36 HD13 LEU 36 6.723 -3.716 7.019 301 1HD2 LEU 36 HD21 LEU 36 5.287 -1.065 4.711 302 2HD2 LEU 36 HD22 LEU 36 4.715 -2.609 5.336 303 3HD2 LEU 36 HD23 LEU 36 5.239 -1.344 6.471 304 H GLU 37 H GLU 37 10.408 -0.358 6.236 305 HA GLU 37 HA GLU 37 10.400 1.639 8.293 306 1HB GLU 37 HB2 GLU 37 12.145 -0.462 7.312 307 2HB GLU 37 HB3 GLU 37 13.090 1.022 7.433 308 1HG GLU 37 HG2 GLU 37 12.519 1.252 9.778 309 2HG GLU 37 HG3 GLU 37 11.335 -0.066 9.678 310 H GLU 38 H GLU 38 11.400 1.620 4.892 311 HA GLU 38 HA GLU 38 12.834 4.069 4.853 312 1HB GLU 38 HB2 GLU 38 11.251 2.739 2.659 313 2HB GLU 38 HB3 GLU 38 12.546 3.883 2.408 314 1HG GLU 38 HG2 GLU 38 13.369 1.467 3.997 315 2HG GLU 38 HG3 GLU 38 12.849 1.166 2.339 316 H HIS 39 HN HIS 39 9.427 3.246 4.298 317 HA HIS 39 HA HIS 39 8.443 5.567 3.177 318 1HB HIS 39 HB2 HIS 39 7.090 3.630 3.223 319 2HB HIS 39 HB3 HIS 39 7.178 3.510 4.985 320 HD1 HIS 39 HND HIS 39 5.285 4.620 6.276 321 HD2 HIS 39 HD HIS 39 5.598 5.814 2.259 322 HE1 HIS 39 HE HIS 39 3.237 6.008 5.790 323 HA PRO 40 HA PRO 40 9.139 8.162 6.823 324 1HB PRO 40 HB2 PRO 40 8.555 10.611 5.756 325 2HB PRO 40 HB3 PRO 40 10.036 9.690 5.377 326 1HG PRO 40 HG2 PRO 40 7.519 9.896 3.757 327 2HG PRO 40 HG3 PRO 40 9.206 9.974 3.178 328 1HD PRO 40 HD2 PRO 40 7.610 7.713 3.081 329 2HD PRO 40 HD3 PRO 40 9.397 7.649 3.194 330 H GLY 41 H GLY 41 7.328 6.830 7.568 331 1HA GLY 41 HA1 GLY 41 5.043 8.496 8.447 332 2HA GLY 41 HA2 GLY 41 4.666 7.015 7.553 333 H GLY 42 H GLY 42 6.774 5.340 8.541 334 1HA GLY 42 HA1 GLY 42 7.594 4.535 10.674 335 2HA GLY 42 HA2 GLY 42 6.115 5.085 11.462 336 H GLU 43 H GLU 43 7.645 2.419 10.152 337 HA GLU 43 HA GLU 43 5.609 0.885 8.968 338 1HB GLU 43 HB2 GLU 43 6.967 -1.015 9.738 339 2HB GLU 43 HB3 GLU 43 7.798 0.191 8.750 340 1HG GLU 43 HG2 GLU 43 9.262 0.809 10.374 341 2HG GLU 43 HG3 GLU 43 8.060 0.741 11.655 342 H ALA 44 H ALA 44 3.760 1.198 10.033 343 HA ALA 44 HA ALA 44 3.078 -0.740 12.073 344 1HB ALA 44 HB1 ALA 44 3.974 1.754 13.120 345 2HB ALA 44 HB2 ALA 44 2.211 1.837 13.210 346 3HB ALA 44 HB3 ALA 44 3.067 0.492 13.965 347 H VAL 45 H VAL 45 1.917 2.528 11.127 348 HA VAL 45 HA VAL 45 -0.680 1.538 10.534 349 HB VAL 45 HB VAL 45 -0.140 3.827 11.233 350 1HG1 VAL 45 HG11 VAL 45 0.478 4.468 8.331 351 2HG1 VAL 45 HG12 VAL 45 0.644 5.488 9.777 352 3HG1 VAL 45 HG13 VAL 45 1.762 4.139 9.517 353 1HG2 VAL 45 HG21 VAL 45 -2.352 3.134 10.266 354 2HG2 VAL 45 HG22 VAL 45 -1.964 4.852 10.079 355 3HG2 VAL 45 HG23 VAL 45 -1.804 3.757 8.704 356 H LEU 46 H LEU 46 2.260 2.164 8.165 357 HA LEU 46 HA LEU 46 0.604 1.309 6.046 358 1HB LEU 46 HB2 LEU 46 2.612 2.546 5.737 359 2HB LEU 46 HB3 LEU 46 3.569 1.356 6.638 360 HG LEU 46 HG LEU 46 3.233 -0.281 4.916 361 1HD1 LEU 46 HD11 LEU 46 1.049 0.494 3.976 362 2HD1 LEU 46 HD12 LEU 46 1.870 1.896 3.266 363 3HD1 LEU 46 HD13 LEU 46 2.287 0.249 2.735 364 1HD2 LEU 46 HD21 LEU 46 5.143 1.358 4.870 365 2HD2 LEU 46 HD22 LEU 46 4.719 0.793 3.237 366 3HD2 LEU 46 HD23 LEU 46 4.201 2.399 3.795 367 H ARG 47 H ARG 47 1.972 -0.580 8.676 368 HA ARG 47 HA ARG 47 1.864 -3.113 7.173 369 1HB ARG 47 HB2 ARG 47 2.873 -2.163 9.810 370 2HB ARG 47 HB3 ARG 47 2.193 -3.782 9.823 371 1HG ARG 47 HG2 ARG 47 4.129 -3.046 7.619 372 2HG ARG 47 HG3 ARG 47 4.745 -3.320 9.244 373 1HD ARG 47 HD2 ARG 47 3.469 -5.558 9.231 374 2HD ARG 47 HD3 ARG 47 3.110 -5.263 7.539 375 HE ARG 47 HE ARG 47 5.230 -5.882 6.963 376 1HH1 ARG 47 HH11 ARG 47 8.142 -6.357 8.929 377 2HH1 ARG 47 HH12 ARG 47 7.460 -6.523 7.344 378 1HH2 ARG 47 HH21 ARG 47 6.851 -5.469 10.691 379 2HH2 ARG 47 HH22 ARG 47 5.179 -5.111 10.393 380 H ALA 48 H ALA 48 -0.107 -1.353 9.565 381 HA ALA 48 HA ALA 48 -1.842 -3.630 10.022 382 1HB ALA 48 HB1 ALA 48 -1.246 -1.637 11.607 383 2HB ALA 48 HB2 ALA 48 -2.559 -0.791 10.757 384 3HB ALA 48 HB3 ALA 48 -2.888 -2.313 11.614 385 H GLN 49 H GLN 49 -1.994 -0.643 8.009 386 HA GLN 49 HA GLN 49 -4.710 -1.195 7.080 387 1HB GLN 49 HB2 GLN 49 -2.456 0.716 6.350 388 2HB GLN 49 HB3 GLN 49 -3.985 0.710 5.519 389 1HG GLN 49 HG2 GLN 49 -3.644 1.231 8.498 390 2HG GLN 49 HG3 GLN 49 -3.985 2.442 7.255 391 1HE2 GLN 49 HE21 GLN 49 -5.563 0.987 9.686 392 2HE2 GLN 49 HE22 GLN 49 -7.147 0.847 8.940 393 H ALA 50 H ALA 50 -1.669 -2.589 6.462 394 HA ALA 50 HA ALA 50 -1.800 -3.069 3.710 395 1HB ALA 50 HB1 ALA 50 0.111 -3.620 5.282 396 2HB ALA 50 HB2 ALA 50 -0.826 -5.029 5.815 397 3HB ALA 50 HB3 ALA 50 -0.307 -4.910 4.125 398 H GLY 51 H GLY 51 -2.566 -4.963 2.588 399 1HA GLY 51 HA1 GLY 51 -3.616 -7.139 2.718 400 2HA GLY 51 HA2 GLY 51 -4.772 -6.531 3.913 401 H GLY 52 H GLY 52 -4.965 -3.881 2.363 402 1HA GLY 52 HA1 GLY 52 -5.623 -3.572 -0.089 403 2HA GLY 52 HA2 GLY 52 -6.681 -4.946 0.131 404 H ASP 53 H ASP 53 -6.166 -2.152 2.343 405 HA ASP 53 HA ASP 53 -8.641 -0.937 1.502 406 1HB ASP 53 HB2 ASP 53 -9.509 -2.894 2.861 407 2HB ASP 53 HB3 ASP 53 -8.586 -2.290 4.245 408 H ALA 54 H ALA 54 -6.533 0.423 1.305 409 HA ALA 54 HA ALA 54 -6.208 1.980 3.856 410 1HB ALA 54 HB1 ALA 54 -3.875 2.204 3.462 411 2HB ALA 54 HB2 ALA 54 -4.242 0.458 3.374 412 3HB ALA 54 HB3 ALA 54 -3.982 1.372 1.893 413 H THR 55 H THR 55 -7.801 2.203 1.146 414 HA THR 55 HA THR 55 -6.559 4.353 -0.267 415 HB THR 55 HB THR 55 -9.540 3.686 -0.165 416 HG1 THR 55 HG1 THR 55 -7.487 2.113 -0.943 417 1HG2 THR 55 HG21 THR 55 -7.689 4.860 -2.261 418 2HG2 THR 55 HG22 THR 55 -9.377 4.390 -2.567 419 3HG2 THR 55 HG23 THR 55 -9.005 5.718 -1.443 420 H ALA 56 H ALA 56 -9.242 4.298 2.110 421 HA ALA 56 HA ALA 56 -9.562 7.112 2.279 422 1HB ALA 56 HB1 ALA 56 -11.219 5.404 3.084 423 2HB ALA 56 HB2 ALA 56 -10.140 5.045 4.451 424 3HB ALA 56 HB3 ALA 56 -10.856 6.661 4.280 425 H ASN 57 H ASN 57 -7.485 4.845 4.110 426 HA ASN 57 HA ASN 57 -6.480 6.804 5.952 427 1HB ASN 57 HB2 ASN 57 -5.720 4.016 5.148 428 2HB ASN 57 HB3 ASN 57 -4.426 5.022 5.793 429 1HD2 ASN 57 HD21 ASN 57 -7.237 3.175 6.699 430 2HD2 ASN 57 HD22 ASN 57 -7.273 3.709 8.363 431 H PHE 58 H PHE 58 -5.061 5.507 2.933 432 HA PHE 58 HA PHE 58 -2.740 7.035 2.781 433 1HB PHE 58 HB2 PHE 58 -3.321 5.192 1.289 434 2HB PHE 58 HB3 PHE 58 -4.630 6.115 0.575 435 HD1 PHE 58 HD1 PHE 58 -1.031 5.525 0.633 436 HD2 PHE 58 HD2 PHE 58 -4.198 7.853 -1.111 437 HE1 PHE 58 HE1 PHE 58 0.556 6.424 -1.057 438 HE2 PHE 58 HE2 PHE 58 -2.687 8.574 -2.906 439 HZ PHE 58 HZ PHE 58 -0.275 7.905 -2.866 440 H GLU 59 H GLU 59 -5.997 7.866 1.495 441 HA GLU 59 HA GLU 59 -5.265 10.479 0.587 442 1HB GLU 59 HB2 GLU 59 -7.907 9.169 1.238 443 2HB GLU 59 HB3 GLU 59 -7.777 10.767 0.484 444 1HG GLU 59 HG2 GLU 59 -6.319 8.408 -0.756 445 2HG GLU 59 HG3 GLU 59 -8.044 8.623 -0.965 446 H ALA 60 H ALA 60 -6.859 9.341 3.600 447 HA ALA 60 HA ALA 60 -7.521 11.858 4.693 448 1HB ALA 60 HB1 ALA 60 -7.455 10.654 6.895 449 2HB ALA 60 HB2 ALA 60 -8.403 9.804 5.663 450 3HB ALA 60 HB3 ALA 60 -6.764 9.244 6.077 451 H VAL 61 H VAL 61 -4.575 9.866 5.033 452 HA VAL 61 HA VAL 61 -3.084 11.789 6.587 453 HB VAL 61 HB VAL 61 -2.234 9.524 4.728 454 1HG1 VAL 61 HG11 VAL 61 -0.118 10.283 4.920 455 2HG1 VAL 61 HG12 VAL 61 -0.636 11.654 5.920 456 3HG1 VAL 61 HG13 VAL 61 -0.266 10.127 6.684 457 1HG2 VAL 61 HG21 VAL 61 -2.348 9.691 7.777 458 2HG2 VAL 61 HG22 VAL 61 -3.533 8.838 6.783 459 3HG2 VAL 61 HG23 VAL 61 -1.860 8.284 6.802 460 H GLY 62 H GLY 62 -3.197 11.001 3.063 461 1HA GLY 62 HA1 GLY 62 -3.099 12.475 1.284 462 2HA GLY 62 HA2 GLY 62 -2.746 13.837 2.365 463 H HIS 63 HN HIS 63 -1.260 13.527 0.044 464 HA HIS 63 HA HIS 63 1.444 12.966 0.937 465 1HB HIS 63 HB2 HIS 63 0.038 11.229 -1.171 466 2HB HIS 63 HB3 HIS 63 1.770 11.315 -0.845 467 HD1 HIS 63 HND HIS 63 -1.153 9.293 0.308 468 HD2 HIS 63 HD HIS 63 2.736 10.394 1.368 469 HE1 HIS 63 HE HIS 63 -0.311 7.478 1.871 470 H SER 64 H SER 64 2.959 13.587 -0.787 471 HA SER 64 HA SER 64 1.863 15.685 -2.576 472 1HB SER 64 HB2 SER 64 4.459 15.137 -1.204 473 2HB SER 64 HB3 SER 64 4.599 15.862 -2.806 474 HG SER 64 HG SER 64 3.076 16.811 -0.621 475 H THR 65 H THR 65 3.222 16.055 -4.643 476 HA THR 65 HA THR 65 2.503 14.223 -6.636 477 HB THR 65 HB THR 65 4.236 15.475 -7.963 478 HG1 THR 65 HG1 THR 65 5.519 16.884 -6.918 479 1HG2 THR 65 HG21 THR 65 2.606 17.471 -6.351 480 2HG2 THR 65 HG22 THR 65 2.964 17.456 -8.089 481 3HG2 THR 65 HG23 THR 65 1.798 16.304 -7.418 482 H ASP 66 H ASP 66 5.665 14.757 -5.128 483 HA ASP 66 HA ASP 66 7.202 12.790 -6.258 484 1HB ASP 66 HB2 ASP 66 7.612 14.514 -4.221 485 2HB ASP 66 HB3 ASP 66 7.331 13.083 -3.233 486 H ALA 67 H ALA 67 5.006 12.369 -3.500 487 HA ALA 67 HA ALA 67 5.403 9.547 -3.162 488 1HB ALA 67 HB1 ALA 67 2.724 10.699 -2.591 489 2HB ALA 67 HB2 ALA 67 3.735 9.659 -1.586 490 3HB ALA 67 HB3 ALA 67 4.080 11.403 -1.683 491 H ARG 68 H ARG 68 3.029 11.501 -4.964 492 HA ARG 68 HA ARG 68 1.314 9.504 -5.773 493 1HB ARG 68 HB2 ARG 68 1.603 12.244 -6.324 494 2HB ARG 68 HB3 ARG 68 1.649 11.483 -7.908 495 1HG ARG 68 HG2 ARG 68 -0.605 11.909 -7.579 496 2HG ARG 68 HG3 ARG 68 -0.483 10.201 -7.150 497 1HD ARG 68 HD2 ARG 68 -0.323 10.839 -4.730 498 2HD ARG 68 HD3 ARG 68 -0.435 12.538 -5.141 499 HE ARG 68 HE ARG 68 -2.575 10.608 -4.887 500 1HH1 ARG 68 HH11 ARG 68 -5.103 12.813 -5.919 501 2HH1 ARG 68 HH12 ARG 68 -4.750 11.394 -4.996 502 1HH2 ARG 68 HH21 ARG 68 -3.310 14.135 -6.784 503 2HH2 ARG 68 HH22 ARG 68 -1.687 13.543 -6.595 504 H GLU 69 H GLU 69 4.436 10.611 -7.078 505 HA GLU 69 HA GLU 69 4.470 8.983 -9.540 506 1HB GLU 69 HB2 GLU 69 6.040 11.180 -8.310 507 2HB GLU 69 HB3 GLU 69 6.916 10.125 -9.401 508 1HG GLU 69 HG2 GLU 69 4.259 11.151 -10.388 509 2HG GLU 69 HG3 GLU 69 5.582 12.313 -10.236 510 H LEU 70 H LEU 70 5.972 9.011 -6.321 511 HA LEU 70 HA LEU 70 7.850 6.942 -6.832 512 1HB LEU 70 HB2 LEU 70 8.022 8.552 -5.009 513 2HB LEU 70 HB3 LEU 70 6.551 7.891 -4.293 514 HG LEU 70 HG LEU 70 7.570 6.337 -3.154 515 1HD1 LEU 70 HD11 LEU 70 9.507 4.959 -4.038 516 2HD1 LEU 70 HD12 LEU 70 7.909 4.823 -4.780 517 3HD1 LEU 70 HD13 LEU 70 9.200 5.744 -5.603 518 1HD2 LEU 70 HD21 LEU 70 10.146 7.714 -3.940 519 2HD2 LEU 70 HD22 LEU 70 8.996 8.315 -2.718 520 3HD2 LEU 70 HD23 LEU 70 9.821 6.763 -2.476 521 H SER 71 H SER 71 4.657 6.932 -5.275 522 HA SER 71 HA SER 71 4.170 4.215 -4.879 523 1HB SER 71 HB2 SER 71 1.867 4.720 -4.984 524 2HB SER 71 HB3 SER 71 2.679 6.122 -4.274 525 HG SER 71 HG SER 71 1.393 6.991 -5.790 526 H LYS 72 H LYS 72 3.770 6.013 -7.980 527 HA LYS 72 HA LYS 72 2.921 3.885 -9.579 528 1HB LYS 72 HB2 LYS 72 4.505 6.366 -10.131 529 2HB LYS 72 HB3 LYS 72 4.344 5.177 -11.400 530 1HG LYS 72 HG2 LYS 72 1.882 6.074 -9.859 531 2HG LYS 72 HG3 LYS 72 2.607 7.162 -11.053 532 1HD LYS 72 HD2 LYS 72 2.560 5.425 -12.774 533 2HD LYS 72 HD3 LYS 72 1.843 4.259 -11.644 534 1HE LYS 72 HE2 LYS 72 -0.195 5.617 -11.489 535 2HE LYS 72 HE3 LYS 72 0.548 6.911 -12.444 536 1HZ LYS 72 HZ1 LYS 72 -0.851 5.586 -13.843 537 2HZ LYS 72 HZ2 LYS 72 0.710 5.380 -14.293 538 3HZ LYS 72 HZ3 LYS 72 -0.049 4.199 -13.444 539 H THR 73 H THR 73 6.263 4.531 -8.516 540 HA THR 73 HA THR 73 7.440 2.380 -10.082 541 HB THR 73 HB THR 73 8.389 4.349 -7.999 542 HG1 THR 73 HG1 THR 73 9.275 3.623 -10.577 543 1HG2 THR 73 HG21 THR 73 10.050 1.970 -8.869 544 2HG2 THR 73 HG22 THR 73 10.649 3.450 -8.088 545 3HG2 THR 73 HG23 THR 73 9.542 2.390 -7.213 546 H PHE 74 H PHE 74 5.442 2.319 -7.326 547 HA PHE 74 HA PHE 74 6.489 -0.352 -6.477 548 1HB PHE 74 HB2 PHE 74 4.929 1.778 -4.959 549 2HB PHE 74 HB3 PHE 74 5.113 0.119 -4.403 550 HD1 PHE 74 HD1 PHE 74 7.710 -0.752 -4.582 551 HD2 PHE 74 HD2 PHE 74 6.313 3.230 -3.674 552 HE1 PHE 74 HE1 PHE 74 9.830 -0.274 -3.404 553 HE2 PHE 74 HE2 PHE 74 8.360 3.623 -2.329 554 HZ PHE 74 HZ PHE 74 10.148 1.905 -2.255 555 H ILE 75 H ILE 75 4.125 1.217 -8.319 556 HA ILE 75 HA ILE 75 1.867 -0.288 -7.490 557 HB ILE 75 HB ILE 75 2.240 1.867 -9.033 558 1HG1 ILE 75 HG12 ILE 75 0.135 0.947 -7.932 559 2HG1 ILE 75 HG13 ILE 75 -0.024 2.009 -9.333 560 1HG2 ILE 75 HG21 ILE 75 3.150 0.676 -10.997 561 2HG2 ILE 75 HG22 ILE 75 1.675 -0.278 -11.131 562 3HG2 ILE 75 HG23 ILE 75 1.615 1.477 -11.367 563 1HD1 ILE 75 HD11 ILE 75 -1.525 0.035 -9.284 564 2HD1 ILE 75 HD12 ILE 75 -0.530 0.138 -10.753 565 3HD1 ILE 75 HD13 ILE 75 -0.070 -0.985 -9.443 566 H ILE 76 H ILE 76 1.260 -2.339 -7.950 567 HA ILE 76 HA ILE 76 3.045 -3.938 -9.784 568 HB ILE 76 HB ILE 76 1.994 -5.890 -8.502 569 1HG1 ILE 76 HG12 ILE 76 1.530 -3.727 -6.384 570 2HG1 ILE 76 HG13 ILE 76 0.257 -4.424 -7.367 571 1HG2 ILE 76 HG21 ILE 76 4.344 -5.170 -8.423 572 2HG2 ILE 76 HG22 ILE 76 3.954 -4.008 -7.141 573 3HG2 ILE 76 HG23 ILE 76 3.805 -5.767 -6.866 574 1HD1 ILE 76 HD11 ILE 76 1.861 -6.513 -6.086 575 2HD1 ILE 76 HD12 ILE 76 1.161 -5.366 -4.923 576 3HD1 ILE 76 HD13 ILE 76 0.118 -6.235 -6.061 577 H GLY 77 H GLY 77 -0.324 -3.000 -9.146 578 1HA GLY 77 HA1 GLY 77 -1.161 -3.359 -11.771 579 2HA GLY 77 HA2 GLY 77 -1.535 -4.881 -10.913 580 H GLU 78 H GLU 78 -3.748 -4.272 -11.229 581 HA GLU 78 HA GLU 78 -4.713 -2.124 -9.460 582 1HB GLU 78 HB2 GLU 78 -5.155 -2.536 -12.325 583 2HB GLU 78 HB3 GLU 78 -6.662 -2.456 -11.414 584 1HG GLU 78 HG2 GLU 78 -6.551 -0.251 -11.557 585 2HG GLU 78 HG3 GLU 78 -5.184 -0.275 -10.461 586 H LEU 79 H LEU 79 -7.038 -2.403 -8.996 587 HA LEU 79 HA LEU 79 -7.333 -4.844 -7.474 588 1HB LEU 79 HB2 LEU 79 -8.178 -2.719 -6.653 589 2HB LEU 79 HB3 LEU 79 -9.176 -2.507 -8.110 590 HG LEU 79 HG LEU 79 -10.399 -4.679 -7.378 591 1HD1 LEU 79 HD11 LEU 79 -8.387 -4.816 -5.502 592 2HD1 LEU 79 HD12 LEU 79 -9.722 -4.052 -4.595 593 3HD1 LEU 79 HD13 LEU 79 -9.941 -5.630 -5.382 594 1HD2 LEU 79 HD21 LEU 79 -11.646 -3.275 -5.567 595 2HD2 LEU 79 HD22 LEU 79 -10.596 -1.968 -6.112 596 3HD2 LEU 79 HD23 LEU 79 -11.665 -2.822 -7.264 597 H HIS 80 H HIS 80 -8.438 -6.653 -8.031 598 HA HIS 80 HA HIS 80 -9.052 -7.288 -10.669 599 1HB HIS 80 HB2 HIS 80 -8.739 -8.746 -8.574 600 2HB HIS 80 HB3 HIS 80 -10.490 -8.618 -8.379 601 HD1 HIS 80 HD1 HIS 80 -11.814 -10.290 -10.023 602 HD2 HIS 80 HD2 HIS 80 -7.692 -9.961 -10.726 603 HE1 HIS 80 HE1 HIS 80 -11.256 -12.019 -11.776 604 HA PRO 81 HA PRO 81 -12.926 -5.389 -11.431 605 1HB PRO 81 HB2 PRO 81 -13.774 -6.740 -13.661 606 2HB PRO 81 HB3 PRO 81 -12.516 -5.472 -13.638 607 1HG PRO 81 HG2 PRO 81 -12.135 -8.464 -13.654 608 2HG PRO 81 HG3 PRO 81 -11.221 -7.222 -14.564 609 1HD PRO 81 HD2 PRO 81 -10.338 -8.383 -12.271 610 2HD PRO 81 HD3 PRO 81 -9.904 -6.711 -12.722 611 H ASP 82 H ASP 82 -12.581 -8.543 -10.280 612 HA ASP 82 HA ASP 82 -15.442 -9.193 -10.135 613 1HB ASP 82 HB2 ASP 82 -13.609 -10.917 -10.433 614 2HB ASP 82 HB3 ASP 82 -13.124 -10.567 -8.731 615 H ASP 83 H ASP 83 -13.036 -7.467 -8.266 616 HA ASP 83 HA ASP 83 -14.387 -7.720 -5.671 617 1HB ASP 83 HB2 ASP 83 -12.000 -7.489 -5.696 618 2HB ASP 83 HB3 ASP 83 -12.098 -6.034 -6.705 619 H ARG 84 H ARG 84 -13.854 -5.200 -8.108 620 HA ARG 84 HA ARG 84 -15.444 -3.201 -6.855 621 1HB ARG 84 HB2 ARG 84 -15.153 -1.930 -8.887 622 2HB ARG 84 HB3 ARG 84 -13.639 -2.764 -8.489 623 1HG ARG 84 HG2 ARG 84 -14.429 -4.605 -10.118 624 2HG ARG 84 HG3 ARG 84 -15.720 -3.520 -10.597 625 1HD ARG 84 HD2 ARG 84 -13.912 -3.318 -12.187 626 2HD ARG 84 HD3 ARG 84 -14.138 -1.806 -11.279 627 HE ARG 84 HE ARG 84 -12.130 -3.535 -10.073 628 1HH1 ARG 84 HH11 ARG 84 -9.445 -1.507 -11.185 629 2HH1 ARG 84 HH12 ARG 84 -9.853 -2.967 -10.346 630 1HH2 ARG 84 HH21 ARG 84 -11.010 -0.682 -12.769 631 2HH2 ARG 84 HH22 ARG 84 -12.643 -1.277 -12.721 632 HHA HEM 201 HGM HEM 201 4.418 11.036 4.993 633 HHB HEM 201 HDM HEM 201 5.605 8.160 -0.663 634 HHC HEM 201 HAM HEM 201 1.118 3.756 0.630 635 HHD HEM 201 HBM HEM 201 -0.015 6.550 6.353 636 1HMA HEM 201 HM81 HEM 201 6.073 10.796 -0.667 637 2HMA HEM 201 HM82 HEM 201 7.235 11.420 0.504 638 3HMA HEM 201 HM83 HEM 201 7.383 9.758 -0.067 639 1HAA HEM 201 HAA1 HEM 201 6.216 12.109 3.855 640 2HAA HEM 201 HAA2 HEM 201 6.508 12.564 2.187 641 1HBA HEM 201 HBA1 HEM 201 4.663 13.760 3.717 642 2HBA HEM 201 HBA2 HEM 201 3.629 12.499 3.062 643 1HMB HEM 201 HM11 HEM 201 5.943 5.742 -1.895 644 2HMB HEM 201 HM12 HEM 201 4.634 5.163 -2.919 645 3HMB HEM 201 HM13 HEM 201 4.895 6.908 -2.750 646 HAB HEM 201 HT2A HEM 201 2.752 2.897 -1.292 647 1HBB HEM 201 HV2C HEM 201 1.208 5.018 -2.752 648 2HBB HEM 201 HV2T HEM 201 1.134 3.152 -2.883 649 1HMC HEM 201 HM31 HEM 201 -1.071 2.274 3.117 650 2HMC HEM 201 HM32 HEM 201 -1.967 3.506 2.232 651 3HMC HEM 201 HM33 HEM 201 -0.551 2.719 1.509 652 HAC HEM 201 HT4A HEM 201 -2.011 5.250 5.695 653 1HBC HEM 201 HV4C HEM 201 -1.043 2.394 5.233 654 2HBC HEM 201 HV4T HEM 201 -1.943 3.061 6.698 655 1HMD HEM 201 HM51 HEM 201 0.070 8.410 8.165 656 2HMD HEM 201 HM52 HEM 201 1.377 7.243 8.440 657 3HMD HEM 201 HM53 HEM 201 1.564 8.922 8.956 658 1HAD HEM 201 HAD1 HEM 201 3.380 10.123 8.478 659 2HAD HEM 201 HAD2 HEM 201 4.163 10.972 7.184 660 1HBD HEM 201 HBD1 HEM 201 1.326 11.638 7.205 661 2HBD HEM 201 HBD2 HEM 201 2.021 11.869 8.810 Start of MODEL 18 1 1H ALA 3 H1 ALA 3 1.713 -9.775 -17.242 2 2H ALA 3 H2 ALA 3 1.374 -10.751 -18.558 3 3H ALA 3 H3 ALA 3 2.395 -9.440 -18.696 4 HA ALA 3 HA ALA 3 -0.483 -9.508 -18.294 5 1HB ALA 3 HB1 ALA 3 0.550 -7.299 -19.937 6 2HB ALA 3 HB2 ALA 3 1.081 -8.876 -20.545 7 3HB ALA 3 HB3 ALA 3 -0.642 -8.557 -20.311 8 H VAL 4 H VAL 4 -0.781 -6.614 -18.360 9 HA VAL 4 HA VAL 4 -0.253 -5.902 -15.595 10 HB VAL 4 HB VAL 4 -1.348 -4.386 -17.170 11 1HG1 VAL 4 HG11 VAL 4 -3.554 -4.694 -18.064 12 2HG1 VAL 4 HG12 VAL 4 -2.656 -6.151 -18.489 13 3HG1 VAL 4 HG13 VAL 4 -3.805 -6.189 -17.144 14 1HG2 VAL 4 HG21 VAL 4 -2.228 -3.433 -15.369 15 2HG2 VAL 4 HG22 VAL 4 -3.689 -4.406 -15.567 16 3HG2 VAL 4 HG23 VAL 4 -2.378 -4.979 -14.529 17 H LYS 5 H LYS 5 -1.364 -6.814 -13.799 18 HA LYS 5 HA LYS 5 -3.310 -8.964 -14.302 19 1HB LYS 5 HB2 LYS 5 -1.067 -10.071 -14.207 20 2HB LYS 5 HB3 LYS 5 -0.848 -9.440 -12.560 21 1HG LYS 5 HG2 LYS 5 -2.922 -10.661 -11.850 22 2HG LYS 5 HG3 LYS 5 -3.149 -11.202 -13.521 23 1HD LYS 5 HD2 LYS 5 -0.585 -12.086 -13.058 24 2HD LYS 5 HD3 LYS 5 -1.253 -12.146 -11.415 25 1HE LYS 5 HE2 LYS 5 -3.259 -13.430 -12.454 26 2HE LYS 5 HE3 LYS 5 -2.306 -13.514 -13.946 27 1HZ LYS 5 HZ1 LYS 5 -1.596 -14.675 -11.333 28 2HZ LYS 5 HZ2 LYS 5 -2.035 -15.489 -12.689 29 3HZ LYS 5 HZ3 LYS 5 -0.601 -14.686 -12.648 30 H TYR 6 H TYR 6 -4.986 -8.582 -13.010 31 HA TYR 6 HA TYR 6 -4.699 -6.602 -10.885 32 1HB TYR 6 HB2 TYR 6 -7.177 -8.125 -11.729 33 2HB TYR 6 HB3 TYR 6 -7.049 -6.649 -10.764 34 HD1 TYR 6 HD1 TYR 6 -6.606 -4.494 -11.812 35 HD2 TYR 6 HD2 TYR 6 -7.081 -8.057 -14.161 36 HE1 TYR 6 HE1 TYR 6 -6.811 -3.102 -13.877 37 HE2 TYR 6 HE2 TYR 6 -7.308 -6.686 -16.206 38 HH TYR 6 HH TYR 6 -7.422 -4.547 -17.076 39 H TYR 7 H TYR 7 -5.604 -7.057 -8.721 40 HA TYR 7 HA TYR 7 -5.416 -9.933 -7.913 41 1HB TYR 7 HB2 TYR 7 -4.382 -7.587 -6.318 42 2HB TYR 7 HB3 TYR 7 -4.181 -9.303 -5.975 43 HD1 TYR 7 HD1 TYR 7 -2.809 -10.688 -7.752 44 HD2 TYR 7 HD2 TYR 7 -2.787 -6.385 -7.582 45 HE1 TYR 7 HE1 TYR 7 -0.684 -10.639 -9.027 46 HE2 TYR 7 HE2 TYR 7 -0.662 -6.340 -8.830 47 HH TYR 7 HH TYR 7 1.016 -9.316 -9.873 48 H THR 8 H THR 8 -7.060 -10.591 -6.525 49 HA THR 8 HA THR 8 -9.396 -8.877 -6.225 50 HB THR 8 HB THR 8 -10.175 -11.010 -5.027 51 HG1 THR 8 HG1 THR 8 -8.550 -12.773 -5.227 52 1HG2 THR 8 HG21 THR 8 -8.993 -11.414 -7.823 53 2HG2 THR 8 HG22 THR 8 -10.262 -12.396 -7.066 54 3HG2 THR 8 HG23 THR 8 -10.581 -10.701 -7.456 55 H LEU 9 H LEU 9 -10.340 -8.468 -4.086 56 HA LEU 9 HA LEU 9 -8.591 -7.321 -2.267 57 1HB LEU 9 HB2 LEU 9 -11.347 -7.568 -2.525 58 2HB LEU 9 HB3 LEU 9 -11.058 -8.451 -1.049 59 HG LEU 9 HG LEU 9 -10.239 -5.576 -1.663 60 1HD1 LEU 9 HD11 LEU 9 -11.861 -4.974 0.080 61 2HD1 LEU 9 HD12 LEU 9 -12.663 -5.922 -1.179 62 3HD1 LEU 9 HD13 LEU 9 -12.240 -6.690 0.355 63 1HD2 LEU 9 HD21 LEU 9 -8.548 -6.619 -0.116 64 2HD2 LEU 9 HD22 LEU 9 -9.514 -5.367 0.662 65 3HD2 LEU 9 HD23 LEU 9 -9.875 -7.077 0.973 66 H GLU 10 H GLU 10 -9.945 -10.609 -2.336 67 HA GLU 10 HA GLU 10 -8.866 -11.628 0.035 68 1HB GLU 10 HB2 GLU 10 -10.493 -12.771 -1.539 69 2HB GLU 10 HB3 GLU 10 -9.110 -13.241 -2.517 70 1HG GLU 10 HG2 GLU 10 -9.663 -15.071 -1.034 71 2HG GLU 10 HG3 GLU 10 -8.109 -14.402 -0.536 72 H GLU 11 H GLU 11 -7.400 -12.151 -3.250 73 HA GLU 11 HA GLU 11 -5.004 -13.157 -2.373 74 1HB GLU 11 HB2 GLU 11 -5.903 -11.707 -4.839 75 2HB GLU 11 HB3 GLU 11 -4.192 -11.647 -4.507 76 1HG GLU 11 HG2 GLU 11 -4.362 -13.525 -5.833 77 2HG GLU 11 HG3 GLU 11 -4.259 -14.215 -4.219 78 H ILE 12 H ILE 12 -5.774 -9.663 -2.796 79 HA ILE 12 HA ILE 12 -3.203 -8.773 -1.946 80 HB ILE 12 HB ILE 12 -5.920 -7.427 -1.764 81 1HG1 ILE 12 HG12 ILE 12 -3.728 -7.050 -3.858 82 2HG1 ILE 12 HG13 ILE 12 -5.079 -8.151 -4.068 83 1HG2 ILE 12 HG21 ILE 12 -4.940 -5.731 -0.668 84 2HG2 ILE 12 HG22 ILE 12 -3.350 -6.511 -0.735 85 3HG2 ILE 12 HG23 ILE 12 -3.865 -5.464 -2.046 86 1HD1 ILE 12 HD11 ILE 12 -5.738 -6.162 -5.164 87 2HD1 ILE 12 HD12 ILE 12 -6.663 -6.249 -3.673 88 3HD1 ILE 12 HD13 ILE 12 -5.252 -5.162 -3.794 89 H GLN 13 H GLN 13 -6.169 -9.439 -0.036 90 HA GLN 13 HA GLN 13 -5.200 -8.802 2.547 91 1HB GLN 13 HB2 GLN 13 -7.411 -10.438 1.369 92 2HB GLN 13 HB3 GLN 13 -6.949 -10.863 2.987 93 1HG GLN 13 HG2 GLN 13 -7.425 -7.950 2.293 94 2HG GLN 13 HG3 GLN 13 -8.792 -9.049 2.505 95 1HE2 GLN 13 HE21 GLN 13 -9.275 -7.476 4.317 96 2HE2 GLN 13 HE22 GLN 13 -8.545 -7.838 5.872 97 H LYS 14 H LYS 14 -4.689 -11.738 0.555 98 HA LYS 14 HA LYS 14 -3.539 -13.234 2.728 99 1HB LYS 14 HB2 LYS 14 -3.168 -13.476 -0.275 100 2HB LYS 14 HB3 LYS 14 -2.545 -14.631 0.888 101 1HG LYS 14 HG2 LYS 14 -5.516 -13.924 0.770 102 2HG LYS 14 HG3 LYS 14 -4.786 -15.136 -0.281 103 1HD LYS 14 HD2 LYS 14 -3.983 -16.388 1.686 104 2HD LYS 14 HD3 LYS 14 -4.720 -15.183 2.771 105 1HE LYS 14 HE2 LYS 14 -6.950 -15.715 2.036 106 2HE LYS 14 HE3 LYS 14 -6.358 -16.693 0.686 107 1HZ LYS 14 HZ1 LYS 14 -7.111 -18.029 2.512 108 2HZ LYS 14 HZ2 LYS 14 -5.509 -18.279 2.234 109 3HZ LYS 14 HZ3 LYS 14 -5.996 -17.370 3.525 110 H HIS 15 H HIS 15 -2.291 -10.509 0.957 111 HA HIS 15 HA HIS 15 0.529 -11.113 1.721 112 1HB HIS 15 HB2 HIS 15 -0.723 -9.213 -0.274 113 2HB HIS 15 HB3 HIS 15 0.972 -9.162 0.200 114 HD1 HIS 15 HD1 HIS 15 2.286 -10.128 -1.762 115 HD2 HIS 15 HD2 HIS 15 -1.289 -12.177 -0.954 116 HE1 HIS 15 HE1 HIS 15 2.177 -12.090 -3.390 117 H ASN 16 H ASN 16 0.041 -10.732 3.979 118 HA ASN 16 HA ASN 16 0.689 -8.012 4.790 119 1HB ASN 16 HB2 ASN 16 -1.320 -7.686 6.212 120 2HB ASN 16 HB3 ASN 16 -1.661 -7.705 4.492 121 1HD2 ASN 16 HD21 ASN 16 -3.908 -8.067 5.721 122 2HD2 ASN 16 HD22 ASN 16 -4.379 -9.751 5.631 123 H ASN 17 H ASN 17 2.249 -10.114 5.220 124 HA ASN 17 HA ASN 17 2.801 -10.209 7.914 125 1HB ASN 17 HB2 ASN 17 0.629 -12.178 7.264 126 2HB ASN 17 HB3 ASN 17 2.003 -12.867 8.116 127 1HD2 ASN 17 HD21 ASN 17 -0.234 -13.106 9.434 128 2HD2 ASN 17 HD22 ASN 17 -0.251 -12.003 10.794 129 H SER 18 H SER 18 4.762 -10.000 6.842 130 HA SER 18 HA SER 18 6.800 -10.775 6.360 131 1HB SER 18 HB2 SER 18 6.004 -12.830 7.829 132 2HB SER 18 HB3 SER 18 5.979 -13.681 6.276 133 HG SER 18 HG SER 18 8.168 -12.335 7.488 134 H LYS 19 H LYS 19 4.363 -12.774 4.637 135 HA LYS 19 HA LYS 19 5.530 -13.362 2.263 136 1HB LYS 19 HB2 LYS 19 2.679 -12.327 2.726 137 2HB LYS 19 HB3 LYS 19 3.266 -13.040 1.231 138 1HG LYS 19 HG2 LYS 19 2.564 -14.957 1.991 139 2HG LYS 19 HG3 LYS 19 4.039 -15.010 2.939 140 1HD LYS 19 HD2 LYS 19 2.922 -14.912 4.890 141 2HD LYS 19 HD3 LYS 19 1.875 -13.577 4.380 142 1HE LYS 19 HE2 LYS 19 0.314 -15.035 3.300 143 2HE LYS 19 HE3 LYS 19 1.438 -16.404 3.343 144 1HZ LYS 19 HZ1 LYS 19 -0.078 -15.279 5.570 145 2HZ LYS 19 HZ2 LYS 19 -0.046 -16.820 4.996 146 3HZ LYS 19 HZ3 LYS 19 1.247 -16.233 5.817 147 H SER 20 H SER 20 3.628 -10.345 2.653 148 HA SER 20 HA SER 20 5.598 -8.556 1.961 149 1HB SER 20 HB2 SER 20 4.254 -9.736 -0.435 150 2HB SER 20 HB3 SER 20 4.189 -7.975 -0.320 151 HG SER 20 HG SER 20 6.041 -8.324 -1.318 152 H THR 21 H THR 21 4.765 -6.494 2.332 153 HA THR 21 HA THR 21 2.062 -6.134 3.384 154 HB THR 21 HB THR 21 4.386 -4.284 2.782 155 HG1 THR 21 HG1 THR 21 5.072 -5.669 4.290 156 1HG2 THR 21 HG21 THR 21 2.494 -3.559 4.927 157 2HG2 THR 21 HG22 THR 21 3.454 -2.541 3.842 158 3HG2 THR 21 HG23 THR 21 1.964 -3.268 3.247 159 H TRP 22 H TRP 22 0.630 -6.484 1.573 160 HA TRP 22 HA TRP 22 0.883 -4.520 -0.677 161 1HB TRP 22 HB2 TRP 22 -0.791 -7.017 -0.278 162 2HB TRP 22 HB3 TRP 22 -1.012 -5.898 -1.612 163 HD1 TRP 22 HD1 TRP 22 2.601 -6.364 -0.884 164 HE1 TRP 22 HE1 TRP 22 3.713 -7.621 -2.674 165 HE3 TRP 22 HE3 TRP 22 -1.592 -8.008 -3.293 166 HZ2 TRP 22 HZ2 TRP 22 2.910 -9.284 -4.984 167 HZ3 TRP 22 HZ3 TRP 22 -1.398 -9.499 -5.238 168 HH2 TRP 22 HH2 TRP 22 0.856 -10.091 -6.153 169 H LEU 23 H LEU 23 -1.485 -3.762 -1.336 170 HA LEU 23 HA LEU 23 -3.528 -3.489 0.533 171 1HB LEU 23 HB2 LEU 23 -3.161 -0.997 1.085 172 2HB LEU 23 HB3 LEU 23 -2.327 -2.201 2.006 173 HG LEU 23 HG LEU 23 -0.281 -1.812 0.397 174 1HD1 LEU 23 HD11 LEU 23 -1.996 0.587 -0.168 175 2HD1 LEU 23 HD12 LEU 23 -0.255 0.556 -0.462 176 3HD1 LEU 23 HD13 LEU 23 -1.314 -0.539 -1.360 177 1HD2 LEU 23 HD21 LEU 23 -1.342 -0.033 2.573 178 2HD2 LEU 23 HD22 LEU 23 -0.007 -1.206 2.586 179 3HD2 LEU 23 HD23 LEU 23 0.188 0.339 1.731 180 H ILE 24 H ILE 24 -5.020 -1.644 -0.153 181 HA ILE 24 HA ILE 24 -4.786 -1.163 -3.112 182 HB ILE 24 HB ILE 24 -7.217 -1.600 -1.394 183 1HG1 ILE 24 HG12 ILE 24 -6.496 -3.180 -3.838 184 2HG1 ILE 24 HG13 ILE 24 -5.752 -3.577 -2.282 185 1HG2 ILE 24 HG21 ILE 24 -8.181 -1.534 -3.953 186 2HG2 ILE 24 HG22 ILE 24 -8.224 -0.170 -2.831 187 3HG2 ILE 24 HG23 ILE 24 -6.933 -0.290 -4.048 188 1HD1 ILE 24 HD11 ILE 24 -7.783 -3.977 -1.157 189 2HD1 ILE 24 HD12 ILE 24 -8.765 -3.241 -2.427 190 3HD1 ILE 24 HD13 ILE 24 -7.978 -4.800 -2.710 191 H LEU 25 H LEU 25 -4.317 0.832 -3.572 192 HA LEU 25 HA LEU 25 -5.373 3.162 -1.987 193 1HB LEU 25 HB2 LEU 25 -2.699 2.372 -2.949 194 2HB LEU 25 HB3 LEU 25 -3.140 4.041 -3.306 195 HG LEU 25 HG LEU 25 -3.169 4.691 -1.152 196 1HD1 LEU 25 HD11 LEU 25 -2.832 2.818 0.658 197 2HD1 LEU 25 HD12 LEU 25 -4.419 3.232 -0.014 198 3HD1 LEU 25 HD13 LEU 25 -3.562 1.822 -0.621 199 1HD2 LEU 25 HD21 LEU 25 -0.910 4.012 -0.322 200 2HD2 LEU 25 HD22 LEU 25 -0.876 2.666 -1.454 201 3HD2 LEU 25 HD23 LEU 25 -0.937 4.332 -2.056 202 H HIS 26 H HIS 26 -7.216 3.364 -3.246 203 HA HIS 26 HA HIS 26 -8.446 4.173 -4.962 204 1HB HIS 26 HB2 HIS 26 -5.917 5.135 -6.330 205 2HB HIS 26 HB3 HIS 26 -7.565 5.717 -6.535 206 HD1 HIS 26 HD1 HIS 26 -8.469 7.401 -4.585 207 HD2 HIS 26 HD2 HIS 26 -4.548 5.942 -4.196 208 HE1 HIS 26 HE1 HIS 26 -7.337 8.830 -2.797 209 H TYR 27 H TYR 27 -8.120 1.576 -5.013 210 HA TYR 27 HA TYR 27 -8.286 -0.297 -6.268 211 1HB TYR 27 HB2 TYR 27 -8.680 1.538 -8.650 212 2HB TYR 27 HB3 TYR 27 -9.282 -0.094 -8.465 213 HD1 TYR 27 HD1 TYR 27 -10.325 0.224 -5.522 214 HD2 TYR 27 HD2 TYR 27 -10.769 2.600 -9.103 215 HE1 TYR 27 HE1 TYR 27 -12.535 0.968 -4.755 216 HE2 TYR 27 HE2 TYR 27 -12.997 3.332 -8.322 217 HH TYR 27 HH TYR 27 -14.585 3.197 -6.644 218 H LYS 28 H LYS 28 -5.607 1.089 -6.034 219 HA LYS 28 HA LYS 28 -4.199 -0.369 -8.214 220 1HB LYS 28 HB2 LYS 28 -3.691 2.377 -7.084 221 2HB LYS 28 HB3 LYS 28 -2.468 1.454 -7.963 222 1HG LYS 28 HG2 LYS 28 -3.722 1.434 -9.944 223 2HG LYS 28 HG3 LYS 28 -5.247 1.833 -9.131 224 1HD LYS 28 HD2 LYS 28 -4.321 4.091 -8.565 225 2HD LYS 28 HD3 LYS 28 -2.942 3.749 -9.621 226 1HE LYS 28 HE2 LYS 28 -5.924 3.896 -10.330 227 2HE LYS 28 HE3 LYS 28 -4.657 5.005 -10.883 228 1HZ LYS 28 HZ1 LYS 28 -5.107 2.197 -11.611 229 2HZ LYS 28 HZ2 LYS 28 -5.257 3.439 -12.592 230 3HZ LYS 28 HZ3 LYS 28 -3.741 2.989 -12.085 231 H VAL 29 H VAL 29 -3.020 -1.954 -7.431 232 HA VAL 29 HA VAL 29 -2.556 -2.159 -4.575 233 HB VAL 29 HB VAL 29 -1.734 -4.166 -6.680 234 1HG1 VAL 29 HG11 VAL 29 -0.933 -4.408 -4.252 235 2HG1 VAL 29 HG12 VAL 29 -2.633 -4.548 -3.795 236 3HG1 VAL 29 HG13 VAL 29 -1.899 -5.758 -4.864 237 1HG2 VAL 29 HG21 VAL 29 -3.978 -3.881 -7.203 238 2HG2 VAL 29 HG22 VAL 29 -3.935 -5.263 -6.106 239 3HG2 VAL 29 HG23 VAL 29 -4.464 -3.679 -5.498 240 H TYR 30 H TYR 30 -0.608 -2.036 -3.588 241 HA TYR 30 HA TYR 30 1.800 -1.374 -5.223 242 1HB TYR 30 HB2 TYR 30 0.801 -0.074 -2.669 243 2HB TYR 30 HB3 TYR 30 2.339 0.264 -3.457 244 HD1 TYR 30 HD1 TYR 30 -1.316 0.735 -3.631 245 HD2 TYR 30 HD2 TYR 30 2.349 1.260 -5.753 246 HE1 TYR 30 HE1 TYR 30 -2.405 2.427 -5.116 247 HE2 TYR 30 HE2 TYR 30 1.231 2.928 -7.255 248 HH TYR 30 HH TYR 30 -0.566 4.421 -7.385 249 H ASP 31 H ASP 31 3.281 -2.945 -4.899 250 HA ASP 31 HA ASP 31 3.246 -4.573 -2.409 251 1HB ASP 31 HB2 ASP 31 3.529 -5.805 -4.488 252 2HB ASP 31 HB3 ASP 31 4.866 -4.747 -4.980 253 H LEU 32 H LEU 32 4.092 -3.251 -0.771 254 HA LEU 32 HA LEU 32 6.623 -1.820 -1.381 255 1HB LEU 32 HB2 LEU 32 4.677 -1.374 0.903 256 2HB LEU 32 HB3 LEU 32 6.177 -0.557 0.611 257 HG LEU 32 HG LEU 32 4.687 -0.442 -1.856 258 1HD1 LEU 32 HD11 LEU 32 2.599 0.554 -1.203 259 2HD1 LEU 32 HD12 LEU 32 2.715 -0.984 -0.346 260 3HD1 LEU 32 HD13 LEU 32 3.046 0.535 0.513 261 1HD2 LEU 32 HD21 LEU 32 6.365 1.152 -0.959 262 2HD2 LEU 32 HD22 LEU 32 4.889 1.929 -1.546 263 3HD2 LEU 32 HD23 LEU 32 5.156 1.734 0.205 264 H THR 33 H THR 33 5.632 -2.844 1.807 265 HA THR 33 HA THR 33 6.554 -4.051 3.380 266 HB THR 33 HB THR 33 6.300 -5.817 1.244 267 HG1 THR 33 HG1 THR 33 6.752 -7.265 3.256 268 1HG2 THR 33 HG21 THR 33 8.983 -6.388 2.550 269 2HG2 THR 33 HG22 THR 33 8.038 -7.487 1.526 270 3HG2 THR 33 HG23 THR 33 8.685 -6.007 0.830 271 H LYS 34 H LYS 34 9.030 -3.819 0.805 272 HA LYS 34 HA LYS 34 11.134 -3.645 2.815 273 1HB LYS 34 HB2 LYS 34 11.102 -4.628 0.279 274 2HB LYS 34 HB3 LYS 34 11.621 -2.966 -0.067 275 1HG LYS 34 HG2 LYS 34 13.366 -3.224 1.727 276 2HG LYS 34 HG3 LYS 34 12.866 -4.914 1.942 277 1HD LYS 34 HD2 LYS 34 13.683 -5.591 -0.135 278 2HD LYS 34 HD3 LYS 34 13.676 -3.944 -0.809 279 1HE LYS 34 HE2 LYS 34 15.532 -3.227 0.439 280 2HE LYS 34 HE3 LYS 34 15.432 -4.559 1.598 281 1HZ LYS 34 HZ1 LYS 34 15.905 -5.369 -1.116 282 2HZ LYS 34 HZ2 LYS 34 17.117 -4.494 -0.424 283 3HZ LYS 34 HZ3 LYS 34 16.594 -5.879 0.292 284 H PHE 35 H PHE 35 8.797 -1.545 1.708 285 HA PHE 35 HA PHE 35 10.493 0.869 1.904 286 1HB PHE 35 HB2 PHE 35 8.688 0.356 0.030 287 2HB PHE 35 HB3 PHE 35 7.575 0.813 1.289 288 HD1 PHE 35 HD1 PHE 35 10.888 2.107 -0.053 289 HD2 PHE 35 HD2 PHE 35 6.877 3.100 1.216 290 HE1 PHE 35 HE1 PHE 35 11.218 4.421 -0.817 291 HE2 PHE 35 HE2 PHE 35 7.236 5.433 0.479 292 HZ PHE 35 HZ PHE 35 9.383 6.090 -0.598 293 H LEU 36 H LEU 36 8.846 -1.197 4.043 294 HA LEU 36 HA LEU 36 7.177 0.600 5.464 295 1HB LEU 36 HB2 LEU 36 8.811 -1.797 6.341 296 2HB LEU 36 HB3 LEU 36 7.621 -1.026 7.376 297 HG LEU 36 HG LEU 36 6.946 -2.191 4.654 298 1HD1 LEU 36 HD11 LEU 36 6.421 -4.211 5.677 299 2HD1 LEU 36 HD12 LEU 36 7.779 -3.729 6.689 300 3HD1 LEU 36 HD13 LEU 36 6.119 -3.464 7.262 301 1HD2 LEU 36 HD21 LEU 36 4.605 -2.180 5.779 302 2HD2 LEU 36 HD22 LEU 36 5.293 -0.942 6.841 303 3HD2 LEU 36 HD23 LEU 36 5.254 -0.687 5.078 304 H GLU 37 H GLU 37 10.594 -0.332 6.173 305 HA GLU 37 HA GLU 37 10.936 1.598 8.233 306 1HB GLU 37 HB2 GLU 37 13.310 1.076 8.034 307 2HB GLU 37 HB3 GLU 37 12.332 -0.393 8.024 308 1HG GLU 37 HG2 GLU 37 12.573 -0.466 5.491 309 2HG GLU 37 HG3 GLU 37 13.659 0.931 5.623 310 H GLU 38 H GLU 38 11.459 1.731 4.731 311 HA GLU 38 HA GLU 38 12.853 4.198 4.569 312 1HB GLU 38 HB2 GLU 38 10.952 2.860 2.639 313 2HB GLU 38 HB3 GLU 38 12.022 4.164 2.204 314 1HG GLU 38 HG2 GLU 38 13.509 1.945 3.488 315 2HG GLU 38 HG3 GLU 38 12.656 1.442 2.030 316 H HIS 39 HN HIS 39 9.397 3.375 4.671 317 HA HIS 39 HA HIS 39 8.365 5.836 3.845 318 1HB HIS 39 HB2 HIS 39 7.077 3.774 3.909 319 2HB HIS 39 HB3 HIS 39 7.113 3.780 5.677 320 HD1 HIS 39 HND HIS 39 5.093 4.893 6.741 321 HD2 HIS 39 HD HIS 39 5.782 5.996 2.745 322 HE1 HIS 39 HE HIS 39 3.070 6.230 6.008 323 HA PRO 40 HA PRO 40 9.564 7.951 7.658 324 1HB PRO 40 HB2 PRO 40 9.060 10.543 6.935 325 2HB PRO 40 HB3 PRO 40 10.450 9.595 6.340 326 1HG PRO 40 HG2 PRO 40 7.853 10.178 4.921 327 2HG PRO 40 HG3 PRO 40 9.513 10.154 4.258 328 1HD PRO 40 HD2 PRO 40 7.686 8.064 4.056 329 2HD PRO 40 HD3 PRO 40 9.460 7.863 3.971 330 H GLY 41 H GLY 41 6.364 7.691 6.397 331 1HA GLY 41 HA1 GLY 41 4.972 9.342 8.314 332 2HA GLY 41 HA2 GLY 41 4.295 8.070 7.300 333 H GLY 42 H GLY 42 3.951 6.021 8.155 334 1HA GLY 42 HA1 GLY 42 5.207 5.288 10.741 335 2HA GLY 42 HA2 GLY 42 3.442 5.254 10.609 336 H GLU 43 H GLU 43 6.176 3.359 10.313 337 HA GLU 43 HA GLU 43 5.483 1.665 8.104 338 1HB GLU 43 HB2 GLU 43 7.046 0.138 9.072 339 2HB GLU 43 HB3 GLU 43 7.690 1.775 9.131 340 1HG GLU 43 HG2 GLU 43 8.306 1.019 11.196 341 2HG GLU 43 HG3 GLU 43 6.753 1.710 11.650 342 H ALA 44 H ALA 44 4.733 1.627 11.592 343 HA ALA 44 HA ALA 44 3.206 -0.665 11.704 344 1HB ALA 44 HB1 ALA 44 3.942 0.668 13.677 345 2HB ALA 44 HB2 ALA 44 2.703 1.888 13.301 346 3HB ALA 44 HB3 ALA 44 2.224 0.233 13.738 347 H VAL 45 H VAL 45 2.042 2.709 11.030 348 HA VAL 45 HA VAL 45 -0.616 1.782 10.546 349 HB VAL 45 HB VAL 45 0.035 4.178 11.056 350 1HG1 VAL 45 HG11 VAL 45 0.203 5.682 9.099 351 2HG1 VAL 45 HG12 VAL 45 1.620 4.667 9.321 352 3HG1 VAL 45 HG13 VAL 45 0.455 4.289 8.036 353 1HG2 VAL 45 HG21 VAL 45 -2.091 3.179 9.191 354 2HG2 VAL 45 HG22 VAL 45 -2.208 3.821 10.828 355 3HG2 VAL 45 HG23 VAL 45 -1.952 4.926 9.472 356 H LEU 46 H LEU 46 2.317 2.214 8.199 357 HA LEU 46 HA LEU 46 0.669 1.464 6.030 358 1HB LEU 46 HB2 LEU 46 3.398 2.017 6.511 359 2HB LEU 46 HB3 LEU 46 3.380 0.380 5.874 360 HG LEU 46 HG LEU 46 1.831 2.661 4.564 361 1HD1 LEU 46 HD11 LEU 46 3.893 3.548 4.517 362 2HD1 LEU 46 HD12 LEU 46 4.770 2.014 4.369 363 3HD1 LEU 46 HD13 LEU 46 3.889 2.704 2.976 364 1HD2 LEU 46 HD21 LEU 46 1.220 0.418 3.842 365 2HD2 LEU 46 HD22 LEU 46 2.111 1.253 2.552 366 3HD2 LEU 46 HD23 LEU 46 2.922 0.006 3.527 367 H ARG 47 H ARG 47 2.112 -0.613 8.531 368 HA ARG 47 HA ARG 47 1.564 -3.036 7.036 369 1HB ARG 47 HB2 ARG 47 3.472 -2.773 8.625 370 2HB ARG 47 HB3 ARG 47 2.319 -2.613 9.950 371 1HG ARG 47 HG2 ARG 47 3.161 -4.856 9.948 372 2HG ARG 47 HG3 ARG 47 1.468 -4.925 9.480 373 1HD ARG 47 HD2 ARG 47 2.017 -6.016 7.547 374 2HD ARG 47 HD3 ARG 47 3.008 -4.661 7.046 375 HE ARG 47 HE ARG 47 4.894 -5.699 7.561 376 1HH1 ARG 47 HH11 ARG 47 5.600 -8.621 9.403 377 2HH1 ARG 47 HH12 ARG 47 6.254 -7.339 8.437 378 1HH2 ARG 47 HH21 ARG 47 3.194 -8.714 9.768 379 2HH2 ARG 47 HH22 ARG 47 2.262 -7.393 9.163 380 H ALA 48 H ALA 48 -0.009 -1.305 9.710 381 HA ALA 48 HA ALA 48 -1.936 -3.301 10.377 382 1HB ALA 48 HB1 ALA 48 -3.115 -1.367 11.430 383 2HB ALA 48 HB2 ALA 48 -1.379 -1.412 11.828 384 3HB ALA 48 HB3 ALA 48 -1.975 -0.264 10.611 385 H GLN 49 H GLN 49 -1.919 -0.619 7.987 386 HA GLN 49 HA GLN 49 -4.630 -1.229 7.051 387 1HB GLN 49 HB2 GLN 49 -2.379 0.678 6.329 388 2HB GLN 49 HB3 GLN 49 -3.819 0.549 5.365 389 1HG GLN 49 HG2 GLN 49 -3.930 1.158 8.339 390 2HG GLN 49 HG3 GLN 49 -3.879 2.376 7.059 391 1HE2 GLN 49 HE21 GLN 49 -6.095 0.831 9.036 392 2HE2 GLN 49 HE22 GLN 49 -7.476 0.995 7.961 393 H ALA 50 H ALA 50 -1.501 -2.614 6.534 394 HA ALA 50 HA ALA 50 -1.742 -3.127 3.773 395 1HB ALA 50 HB1 ALA 50 0.040 -4.750 4.055 396 2HB ALA 50 HB2 ALA 50 0.353 -3.242 4.931 397 3HB ALA 50 HB3 ALA 50 -0.149 -4.709 5.809 398 H GLY 51 H GLY 51 -2.270 -5.011 2.671 399 1HA GLY 51 HA1 GLY 51 -3.577 -6.775 2.068 400 2HA GLY 51 HA2 GLY 51 -3.594 -7.336 3.742 401 H GLY 52 H GLY 52 -4.844 -4.421 1.982 402 1HA GLY 52 HA1 GLY 52 -7.534 -5.108 2.102 403 2HA GLY 52 HA2 GLY 52 -7.175 -4.241 3.618 404 H ASP 53 H ASP 53 -8.785 -2.714 2.532 405 HA ASP 53 HA ASP 53 -7.645 -0.950 0.502 406 1HB ASP 53 HB2 ASP 53 -9.605 0.227 0.553 407 2HB ASP 53 HB3 ASP 53 -10.185 -1.402 0.914 408 H ALA 54 H ALA 54 -6.471 0.820 0.904 409 HA ALA 54 HA ALA 54 -6.537 1.930 3.653 410 1HB ALA 54 HB1 ALA 54 -3.946 1.564 2.087 411 2HB ALA 54 HB2 ALA 54 -4.137 2.206 3.733 412 3HB ALA 54 HB3 ALA 54 -4.463 0.475 3.367 413 H THR 55 H THR 55 -7.750 2.482 0.973 414 HA THR 55 HA THR 55 -6.240 4.613 -0.220 415 HB THR 55 HB THR 55 -9.222 4.027 -0.499 416 HG1 THR 55 HG1 THR 55 -7.330 2.350 -1.030 417 1HG2 THR 55 HG21 THR 55 -8.455 6.203 -1.454 418 2HG2 THR 55 HG22 THR 55 -7.116 5.348 -2.250 419 3HG2 THR 55 HG23 THR 55 -8.801 5.041 -2.751 420 H ALA 56 H ALA 56 -9.069 4.540 1.974 421 HA ALA 56 HA ALA 56 -9.342 7.337 2.302 422 1HB ALA 56 HB1 ALA 56 -10.693 6.809 4.218 423 2HB ALA 56 HB2 ALA 56 -11.040 5.637 2.935 424 3HB ALA 56 HB3 ALA 56 -10.022 5.166 4.316 425 H ASN 57 H ASN 57 -7.201 4.980 3.890 426 HA ASN 57 HA ASN 57 -6.377 6.784 6.009 427 1HB ASN 57 HB2 ASN 57 -5.907 4.002 5.222 428 2HB ASN 57 HB3 ASN 57 -4.378 4.779 5.583 429 1HD2 ASN 57 HD21 ASN 57 -7.574 3.969 6.923 430 2HD2 ASN 57 HD22 ASN 57 -7.091 4.155 8.600 431 H PHE 58 H PHE 58 -4.906 5.628 2.998 432 HA PHE 58 HA PHE 58 -2.518 7.130 3.004 433 1HB PHE 58 HB2 PHE 58 -2.867 5.290 1.512 434 2HB PHE 58 HB3 PHE 58 -4.304 6.023 0.820 435 HD1 PHE 58 HD1 PHE 58 -0.597 6.228 0.915 436 HD2 PHE 58 HD2 PHE 58 -4.213 7.608 -0.962 437 HE1 PHE 58 HE1 PHE 58 0.733 7.111 -0.980 438 HE2 PHE 58 HE2 PHE 58 -2.903 8.441 -2.881 439 HZ PHE 58 HZ PHE 58 -0.412 8.202 -2.899 440 H GLU 59 H GLU 59 -5.769 7.950 1.649 441 HA GLU 59 HA GLU 59 -4.846 10.523 0.733 442 1HB GLU 59 HB2 GLU 59 -6.993 10.846 -0.137 443 2HB GLU 59 HB3 GLU 59 -6.515 9.164 -0.420 444 1HG GLU 59 HG2 GLU 59 -8.611 8.712 0.316 445 2HG GLU 59 HG3 GLU 59 -7.874 8.891 1.911 446 H ALA 60 H ALA 60 -6.647 9.386 3.595 447 HA ALA 60 HA ALA 60 -7.492 11.713 4.735 448 1HB ALA 60 HB1 ALA 60 -6.210 9.288 6.049 449 2HB ALA 60 HB2 ALA 60 -6.809 10.653 6.997 450 3HB ALA 60 HB3 ALA 60 -7.925 9.742 5.974 451 H VAL 61 H VAL 61 -4.157 10.423 4.982 452 HA VAL 61 HA VAL 61 -3.219 12.954 6.170 453 HB VAL 61 HB VAL 61 -1.096 11.972 6.323 454 1HG1 VAL 61 HG11 VAL 61 -2.901 9.622 6.928 455 2HG1 VAL 61 HG12 VAL 61 -1.611 10.351 7.909 456 3HG1 VAL 61 HG13 VAL 61 -3.164 11.168 7.763 457 1HG2 VAL 61 HG21 VAL 61 -2.127 9.748 4.511 458 2HG2 VAL 61 HG22 VAL 61 -0.734 10.827 4.242 459 3HG2 VAL 61 HG23 VAL 61 -0.690 9.615 5.519 460 H GLY 62 H GLY 62 -3.138 11.317 2.980 461 1HA GLY 62 HA1 GLY 62 -3.121 12.394 0.932 462 2HA GLY 62 HA2 GLY 62 -2.735 13.948 1.692 463 H HIS 63 HN HIS 63 -1.327 13.178 -0.570 464 HA HIS 63 HA HIS 63 1.398 12.551 0.363 465 1HB HIS 63 HB2 HIS 63 -0.401 10.732 -1.287 466 2HB HIS 63 HB3 HIS 63 1.335 10.688 -1.474 467 HD1 HIS 63 HND HIS 63 -1.336 9.723 1.179 468 HD2 HIS 63 HD HIS 63 2.811 9.634 0.465 469 HE1 HIS 63 HE HIS 63 -0.345 8.188 2.906 470 H SER 64 H SER 64 2.909 13.544 -0.948 471 HA SER 64 HA SER 64 1.865 15.615 -2.656 472 1HB SER 64 HB2 SER 64 4.133 16.389 -2.715 473 2HB SER 64 HB3 SER 64 3.871 15.719 -1.103 474 HG SER 64 HG SER 64 5.644 14.674 -1.659 475 H THR 65 H THR 65 3.552 15.952 -4.784 476 HA THR 65 HA THR 65 2.608 14.143 -6.800 477 HB THR 65 HB THR 65 4.334 15.369 -8.155 478 HG1 THR 65 HG1 THR 65 5.890 16.315 -7.063 479 1HG2 THR 65 HG21 THR 65 2.858 17.391 -6.421 480 2HG2 THR 65 HG22 THR 65 3.190 17.452 -8.160 481 3HG2 THR 65 HG23 THR 65 1.974 16.323 -7.530 482 H ASP 66 H ASP 66 5.788 14.627 -5.300 483 HA ASP 66 HA ASP 66 7.187 12.552 -6.470 484 1HB ASP 66 HB2 ASP 66 7.749 14.400 -4.492 485 2HB ASP 66 HB3 ASP 66 7.707 12.917 -3.534 486 H ALA 67 H ALA 67 5.155 12.403 -3.546 487 HA ALA 67 HA ALA 67 5.471 9.604 -3.057 488 1HB ALA 67 HB1 ALA 67 3.468 9.850 -1.676 489 2HB ALA 67 HB2 ALA 67 4.633 11.156 -1.368 490 3HB ALA 67 HB3 ALA 67 3.202 11.477 -2.354 491 H ARG 68 H ARG 68 2.975 11.416 -4.904 492 HA ARG 68 HA ARG 68 1.272 9.263 -5.524 493 1HB ARG 68 HB2 ARG 68 1.662 12.020 -6.479 494 2HB ARG 68 HB3 ARG 68 1.214 10.940 -7.779 495 1HG ARG 68 HG2 ARG 68 -0.741 11.921 -6.882 496 2HG ARG 68 HG3 ARG 68 -0.780 10.187 -6.543 497 1HD ARG 68 HD2 ARG 68 -0.847 10.593 -4.262 498 2HD ARG 68 HD3 ARG 68 0.443 11.769 -4.398 499 HE ARG 68 HE ARG 68 -0.984 13.425 -4.184 500 1HH1 ARG 68 HH11 ARG 68 -4.465 13.737 -4.840 501 2HH1 ARG 68 HH12 ARG 68 -3.005 14.607 -4.501 502 1HH2 ARG 68 HH21 ARG 68 -4.365 11.390 -5.229 503 2HH2 ARG 68 HH22 ARG 68 -2.805 10.622 -5.215 504 H GLU 69 H GLU 69 4.342 10.377 -6.940 505 HA GLU 69 HA GLU 69 4.237 8.595 -9.292 506 1HB GLU 69 HB2 GLU 69 5.948 10.779 -8.253 507 2HB GLU 69 HB3 GLU 69 6.748 9.593 -9.287 508 1HG GLU 69 HG2 GLU 69 4.105 10.708 -10.236 509 2HG GLU 69 HG3 GLU 69 5.534 11.744 -10.297 510 H LEU 70 H LEU 70 5.926 8.783 -6.159 511 HA LEU 70 HA LEU 70 7.634 6.608 -6.544 512 1HB LEU 70 HB2 LEU 70 7.670 8.323 -4.722 513 2HB LEU 70 HB3 LEU 70 6.264 7.551 -4.030 514 HG LEU 70 HG LEU 70 7.715 6.341 -2.793 515 1HD1 LEU 70 HD11 LEU 70 7.371 4.545 -4.202 516 2HD1 LEU 70 HD12 LEU 70 8.642 5.048 -5.359 517 3HD1 LEU 70 HD13 LEU 70 9.075 4.530 -3.728 518 1HD2 LEU 70 HD21 LEU 70 10.136 6.473 -3.026 519 2HD2 LEU 70 HD22 LEU 70 9.916 7.418 -4.525 520 3HD2 LEU 70 HD23 LEU 70 9.299 8.035 -2.962 521 H SER 71 H SER 71 4.330 6.778 -5.111 522 HA SER 71 HA SER 71 3.820 4.036 -4.769 523 1HB SER 71 HB2 SER 71 1.522 4.512 -4.796 524 2HB SER 71 HB3 SER 71 2.354 5.878 -4.037 525 HG SER 71 HG SER 71 1.528 5.884 -6.746 526 H LYS 72 H LYS 72 3.369 5.868 -7.803 527 HA LYS 72 HA LYS 72 2.564 3.675 -9.378 528 1HB LYS 72 HB2 LYS 72 3.987 6.294 -9.886 529 2HB LYS 72 HB3 LYS 72 3.919 5.142 -11.190 530 1HG LYS 72 HG2 LYS 72 1.362 5.613 -9.664 531 2HG LYS 72 HG3 LYS 72 1.978 7.003 -10.560 532 1HD LYS 72 HD2 LYS 72 1.803 6.001 -12.626 533 2HD LYS 72 HD3 LYS 72 2.053 4.364 -11.987 534 1HE LYS 72 HE2 LYS 72 -0.210 4.374 -10.999 535 2HE LYS 72 HE3 LYS 72 -0.542 5.940 -11.751 536 1HZ LYS 72 HZ1 LYS 72 0.355 3.593 -13.296 537 2HZ LYS 72 HZ2 LYS 72 -1.235 3.885 -13.022 538 3HZ LYS 72 HZ3 LYS 72 -0.334 4.971 -13.871 539 H THR 73 H THR 73 5.899 4.580 -8.409 540 HA THR 73 HA THR 73 7.191 2.555 -10.000 541 HB THR 73 HB THR 73 8.009 4.390 -7.770 542 HG1 THR 73 HG1 THR 73 8.105 4.919 -9.978 543 1HG2 THR 73 HG21 THR 73 9.062 2.359 -6.958 544 2HG2 THR 73 HG22 THR 73 9.718 2.021 -8.581 545 3HG2 THR 73 HG23 THR 73 10.253 3.450 -7.673 546 H PHE 74 H PHE 74 5.473 2.352 -7.001 547 HA PHE 74 HA PHE 74 6.441 -0.456 -6.557 548 1HB PHE 74 HB2 PHE 74 4.877 1.482 -4.823 549 2HB PHE 74 HB3 PHE 74 4.978 -0.237 -4.460 550 HD1 PHE 74 HD1 PHE 74 6.350 2.718 -3.452 551 HD2 PHE 74 HD2 PHE 74 7.457 -1.280 -4.599 552 HE1 PHE 74 HE1 PHE 74 8.463 2.934 -2.184 553 HE2 PHE 74 HE2 PHE 74 9.593 -1.045 -3.377 554 HZ PHE 74 HZ PHE 74 10.118 1.075 -2.185 555 H ILE 75 H ILE 75 4.125 1.043 -8.435 556 HA ILE 75 HA ILE 75 1.815 -0.423 -7.670 557 HB ILE 75 HB ILE 75 2.184 1.566 -9.346 558 1HG1 ILE 75 HG12 ILE 75 -0.033 -0.465 -9.201 559 2HG1 ILE 75 HG13 ILE 75 0.175 1.110 -8.402 560 1HG2 ILE 75 HG21 ILE 75 1.908 1.007 -11.668 561 2HG2 ILE 75 HG22 ILE 75 3.323 0.140 -11.092 562 3HG2 ILE 75 HG23 ILE 75 1.779 -0.724 -11.304 563 1HD1 ILE 75 HD11 ILE 75 -1.405 1.480 -10.086 564 2HD1 ILE 75 HD12 ILE 75 0.132 2.191 -10.632 565 3HD1 ILE 75 HD13 ILE 75 -0.431 0.629 -11.305 566 H ILE 76 H ILE 76 1.221 -2.534 -8.010 567 HA ILE 76 HA ILE 76 2.960 -4.212 -9.820 568 HB ILE 76 HB ILE 76 1.830 -6.102 -8.445 569 1HG1 ILE 76 HG12 ILE 76 1.668 -3.874 -6.362 570 2HG1 ILE 76 HG13 ILE 76 0.286 -4.450 -7.283 571 1HG2 ILE 76 HG21 ILE 76 3.758 -5.848 -6.791 572 2HG2 ILE 76 HG22 ILE 76 4.182 -5.718 -8.491 573 3HG2 ILE 76 HG23 ILE 76 4.053 -4.250 -7.501 574 1HD1 ILE 76 HD11 ILE 76 0.149 -6.414 -6.132 575 2HD1 ILE 76 HD12 ILE 76 1.894 -6.557 -5.907 576 3HD1 ILE 76 HD13 ILE 76 0.970 -5.448 -4.885 577 H GLY 77 H GLY 77 -0.135 -2.757 -9.617 578 1HA GLY 77 HA1 GLY 77 -1.007 -3.356 -12.128 579 2HA GLY 77 HA2 GLY 77 -1.549 -4.758 -11.174 580 H GLU 78 H GLU 78 -3.654 -4.420 -10.895 581 HA GLU 78 HA GLU 78 -4.503 -2.045 -9.413 582 1HB GLU 78 HB2 GLU 78 -5.219 -2.672 -12.265 583 2HB GLU 78 HB3 GLU 78 -6.529 -2.177 -11.192 584 1HG GLU 78 HG2 GLU 78 -5.015 -0.212 -10.556 585 2HG GLU 78 HG3 GLU 78 -4.073 -0.617 -12.007 586 H LEU 79 H LEU 79 -6.807 -2.242 -8.840 587 HA LEU 79 HA LEU 79 -7.191 -4.689 -7.352 588 1HB LEU 79 HB2 LEU 79 -7.924 -2.529 -6.502 589 2HB LEU 79 HB3 LEU 79 -8.854 -2.248 -7.986 590 HG LEU 79 HG LEU 79 -10.250 -4.326 -7.303 591 1HD1 LEU 79 HD11 LEU 79 -8.964 -3.667 -4.642 592 2HD1 LEU 79 HD12 LEU 79 -10.236 -4.865 -4.903 593 3HD1 LEU 79 HD13 LEU 79 -8.626 -5.137 -5.572 594 1HD2 LEU 79 HD21 LEU 79 -10.774 -2.201 -5.312 595 2HD2 LEU 79 HD22 LEU 79 -10.706 -1.700 -7.017 596 3HD2 LEU 79 HD23 LEU 79 -11.818 -2.956 -6.536 597 H HIS 80 H HIS 80 -8.468 -6.425 -7.902 598 HA HIS 80 HA HIS 80 -9.147 -7.009 -10.559 599 1HB HIS 80 HB2 HIS 80 -8.928 -8.457 -8.434 600 2HB HIS 80 HB3 HIS 80 -10.664 -8.190 -8.227 601 HD1 HIS 80 HD1 HIS 80 -12.137 -9.712 -9.905 602 HD2 HIS 80 HD2 HIS 80 -7.977 -9.847 -10.478 603 HE1 HIS 80 HE1 HIS 80 -11.724 -11.523 -11.593 604 HA PRO 81 HA PRO 81 -12.883 -4.691 -11.183 605 1HB PRO 81 HB2 PRO 81 -13.888 -5.945 -13.409 606 2HB PRO 81 HB3 PRO 81 -12.500 -4.824 -13.424 607 1HG PRO 81 HG2 PRO 81 -12.451 -7.845 -13.435 608 2HG PRO 81 HG3 PRO 81 -11.434 -6.717 -14.381 609 1HD PRO 81 HD2 PRO 81 -10.626 -7.963 -12.100 610 2HD PRO 81 HD3 PRO 81 -10.004 -6.365 -12.592 611 H ASP 82 H ASP 82 -12.775 -7.931 -10.121 612 HA ASP 82 HA ASP 82 -15.647 -8.404 -9.964 613 1HB ASP 82 HB2 ASP 82 -13.977 -10.233 -10.036 614 2HB ASP 82 HB3 ASP 82 -13.344 -9.691 -8.439 615 H ASP 83 H ASP 83 -13.149 -6.902 -7.968 616 HA ASP 83 HA ASP 83 -14.651 -6.764 -5.501 617 1HB ASP 83 HB2 ASP 83 -12.250 -6.624 -5.468 618 2HB ASP 83 HB3 ASP 83 -12.269 -5.231 -6.561 619 H ARG 84 H ARG 84 -13.932 -4.406 -8.041 620 HA ARG 84 HA ARG 84 -15.363 -2.214 -6.993 621 1HB ARG 84 HB2 ARG 84 -14.226 -2.983 -9.645 622 2HB ARG 84 HB3 ARG 84 -15.443 -1.713 -9.674 623 1HG ARG 84 HG2 ARG 84 -14.230 -0.286 -8.239 624 2HG ARG 84 HG3 ARG 84 -13.072 -1.541 -7.788 625 1HD ARG 84 HD2 ARG 84 -13.480 -0.437 -10.591 626 2HD ARG 84 HD3 ARG 84 -12.180 0.083 -9.495 627 HE ARG 84 HE ARG 84 -11.859 -2.648 -9.584 628 1HH1 ARG 84 HH11 ARG 84 -10.169 -3.121 -12.644 629 2HH1 ARG 84 HH12 ARG 84 -10.210 -3.603 -10.987 630 1HH2 ARG 84 HH21 ARG 84 -11.033 -1.008 -13.221 631 2HH2 ARG 84 HH22 ARG 84 -12.052 -0.173 -12.087 632 HHA HEM 201 HGM HEM 201 4.421 11.331 4.850 633 HHB HEM 201 HDM HEM 201 5.850 7.875 -0.431 634 HHC HEM 201 HAM HEM 201 1.130 3.730 1.042 635 HHD HEM 201 HBM HEM 201 -0.049 6.998 6.473 636 1HMA HEM 201 HM81 HEM 201 7.780 9.439 0.339 637 2HMA HEM 201 HM82 HEM 201 6.579 10.281 -0.655 638 3HMA HEM 201 HM83 HEM 201 7.534 11.177 0.525 639 1HAA HEM 201 HAA1 HEM 201 6.391 12.188 3.721 640 2HAA HEM 201 HAA2 HEM 201 6.764 12.499 2.037 641 1HBA HEM 201 HBA1 HEM 201 5.016 13.967 3.323 642 2HBA HEM 201 HBA2 HEM 201 3.875 12.688 2.946 643 1HMB HEM 201 HM11 HEM 201 5.086 6.593 -2.413 644 2HMB HEM 201 HM12 HEM 201 6.115 5.371 -1.642 645 3HMB HEM 201 HM13 HEM 201 4.719 4.872 -2.606 646 HAB HEM 201 HT2A HEM 201 2.805 2.721 -1.029 647 1HBB HEM 201 HV2C HEM 201 1.274 4.998 -2.238 648 2HBB HEM 201 HV2T HEM 201 1.223 3.170 -2.653 649 1HMC HEM 201 HM31 HEM 201 -0.246 2.353 2.849 650 2HMC HEM 201 HM32 HEM 201 -1.760 3.008 3.509 651 3HMC HEM 201 HM33 HEM 201 -1.247 3.441 1.872 652 HAC HEM 201 HT4A HEM 201 -2.181 5.770 5.674 653 1HBC HEM 201 HV4C HEM 201 -1.000 2.961 5.972 654 2HBC HEM 201 HV4T HEM 201 -2.189 3.845 7.104 655 1HMD HEM 201 HM51 HEM 201 1.374 8.048 8.626 656 2HMD HEM 201 HM52 HEM 201 1.109 9.800 8.753 657 3HMD HEM 201 HM53 HEM 201 -0.103 8.773 7.978 658 1HAD HEM 201 HAD1 HEM 201 3.124 10.743 8.380 659 2HAD HEM 201 HAD2 HEM 201 4.103 11.409 7.099 660 1HBD HEM 201 HBD1 HEM 201 1.234 12.128 6.981 661 2HBD HEM 201 HBD2 HEM 201 2.130 12.771 8.367 Start of MODEL 19 1 1H ALA 3 H1 ALA 3 1.696 -4.703 -19.168 2 2H ALA 3 H2 ALA 3 2.655 -6.021 -19.343 3 3H ALA 3 H3 ALA 3 1.966 -5.318 -20.682 4 HA ALA 3 HA ALA 3 -0.210 -5.944 -19.897 5 1HB ALA 3 HB1 ALA 3 1.145 -7.534 -21.329 6 2HB ALA 3 HB2 ALA 3 1.678 -8.345 -19.844 7 3HB ALA 3 HB3 ALA 3 -0.043 -8.329 -20.280 8 H VAL 4 H VAL 4 -1.292 -5.830 -17.924 9 HA VAL 4 HA VAL 4 0.379 -6.167 -15.500 10 HB VAL 4 HB VAL 4 -1.164 -4.710 -14.420 11 1HG1 VAL 4 HG11 VAL 4 -0.534 -3.576 -17.176 12 2HG1 VAL 4 HG12 VAL 4 -0.802 -2.671 -15.676 13 3HG1 VAL 4 HG13 VAL 4 0.617 -3.721 -15.827 14 1HG2 VAL 4 HG21 VAL 4 -3.033 -3.613 -15.843 15 2HG2 VAL 4 HG22 VAL 4 -2.922 -5.053 -16.869 16 3HG2 VAL 4 HG23 VAL 4 -3.323 -5.214 -15.149 17 H LYS 5 H LYS 5 -0.573 -7.114 -13.572 18 HA LYS 5 HA LYS 5 -2.561 -9.232 -14.202 19 1HB LYS 5 HB2 LYS 5 0.024 -9.715 -13.695 20 2HB LYS 5 HB3 LYS 5 -0.518 -9.637 -12.018 21 1HG LYS 5 HG2 LYS 5 -2.064 -11.470 -12.355 22 2HG LYS 5 HG3 LYS 5 -1.979 -11.288 -14.115 23 1HD LYS 5 HD2 LYS 5 0.532 -11.845 -13.910 24 2HD LYS 5 HD3 LYS 5 0.139 -12.458 -12.294 25 1HE LYS 5 HE2 LYS 5 -1.386 -14.116 -13.237 26 2HE LYS 5 HE3 LYS 5 -1.378 -13.319 -14.818 27 1HZ LYS 5 HZ1 LYS 5 0.934 -13.893 -15.055 28 2HZ LYS 5 HZ2 LYS 5 0.902 -14.737 -13.640 29 3HZ LYS 5 HZ3 LYS 5 -0.026 -15.216 -14.912 30 H TYR 6 H TYR 6 -4.414 -8.628 -13.359 31 HA TYR 6 HA TYR 6 -4.568 -6.694 -11.242 32 1HB TYR 6 HB2 TYR 6 -6.830 -8.426 -12.259 33 2HB TYR 6 HB3 TYR 6 -6.892 -6.821 -11.514 34 HD1 TYR 6 HD1 TYR 6 -6.394 -8.709 -14.634 35 HD2 TYR 6 HD2 TYR 6 -6.303 -4.824 -12.799 36 HE1 TYR 6 HE1 TYR 6 -6.383 -7.661 -16.871 37 HE2 TYR 6 HE2 TYR 6 -6.256 -3.757 -15.051 38 HH TYR 6 HH TYR 6 -6.575 -5.674 -18.042 39 H TYR 7 H TYR 7 -5.502 -7.085 -9.074 40 HA TYR 7 HA TYR 7 -5.351 -9.937 -8.172 41 1HB TYR 7 HB2 TYR 7 -4.345 -7.565 -6.608 42 2HB TYR 7 HB3 TYR 7 -4.180 -9.266 -6.215 43 HD1 TYR 7 HD1 TYR 7 -2.563 -6.443 -7.608 44 HD2 TYR 7 HD2 TYR 7 -2.847 -10.715 -8.074 45 HE1 TYR 7 HE1 TYR 7 -0.376 -6.461 -8.687 46 HE2 TYR 7 HE2 TYR 7 -0.639 -10.722 -9.219 47 HH TYR 7 HH TYR 7 1.024 -7.648 -10.035 48 H THR 8 H THR 8 -6.797 -10.530 -6.615 49 HA THR 8 HA THR 8 -9.239 -8.907 -6.440 50 HB THR 8 HB THR 8 -10.211 -10.888 -5.483 51 HG1 THR 8 HG1 THR 8 -7.859 -12.379 -5.524 52 1HG2 THR 8 HG21 THR 8 -9.815 -12.579 -7.195 53 2HG2 THR 8 HG22 THR 8 -9.820 -10.975 -7.936 54 3HG2 THR 8 HG23 THR 8 -8.285 -11.826 -7.672 55 H LEU 9 H LEU 9 -10.226 -8.304 -4.331 56 HA LEU 9 HA LEU 9 -8.534 -7.262 -2.429 57 1HB LEU 9 HB2 LEU 9 -11.308 -7.546 -2.768 58 2HB LEU 9 HB3 LEU 9 -11.025 -8.355 -1.292 59 HG LEU 9 HG LEU 9 -10.080 -5.515 -1.896 60 1HD1 LEU 9 HD11 LEU 9 -12.188 -4.932 -1.491 61 2HD1 LEU 9 HD12 LEU 9 -12.646 -6.553 -0.949 62 3HD1 LEU 9 HD13 LEU 9 -11.938 -5.403 0.198 63 1HD2 LEU 9 HD21 LEU 9 -9.690 -5.419 0.612 64 2HD2 LEU 9 HD22 LEU 9 -9.889 -7.185 0.643 65 3HD2 LEU 9 HD23 LEU 9 -8.560 -6.440 -0.272 66 H GLU 10 H GLU 10 -9.883 -10.548 -2.599 67 HA GLU 10 HA GLU 10 -9.049 -11.533 -0.103 68 1HB GLU 10 HB2 GLU 10 -10.598 -12.598 -1.837 69 2HB GLU 10 HB3 GLU 10 -9.149 -13.135 -2.680 70 1HG GLU 10 HG2 GLU 10 -9.883 -14.940 -1.281 71 2HG GLU 10 HG3 GLU 10 -8.413 -14.281 -0.556 72 H GLU 11 H GLU 11 -7.420 -11.936 -3.285 73 HA GLU 11 HA GLU 11 -5.098 -13.063 -2.172 74 1HB GLU 11 HB2 GLU 11 -5.829 -12.175 -4.834 75 2HB GLU 11 HB3 GLU 11 -4.241 -11.530 -4.450 76 1HG GLU 11 HG2 GLU 11 -3.558 -13.529 -5.268 77 2HG GLU 11 HG3 GLU 11 -3.795 -14.064 -3.609 78 H ILE 12 H ILE 12 -5.847 -9.630 -2.853 79 HA ILE 12 HA ILE 12 -3.331 -8.567 -2.064 80 HB ILE 12 HB ILE 12 -6.124 -7.408 -1.973 81 1HG1 ILE 12 HG12 ILE 12 -3.925 -6.910 -4.034 82 2HG1 ILE 12 HG13 ILE 12 -5.096 -8.186 -4.238 83 1HG2 ILE 12 HG21 ILE 12 -3.890 -6.225 -0.733 84 2HG2 ILE 12 HG22 ILE 12 -3.960 -5.444 -2.303 85 3HG2 ILE 12 HG23 ILE 12 -5.378 -5.421 -1.247 86 1HD1 ILE 12 HD11 ILE 12 -5.722 -5.245 -4.007 87 2HD1 ILE 12 HD12 ILE 12 -5.893 -6.255 -5.440 88 3HD1 ILE 12 HD13 ILE 12 -6.957 -6.523 -4.064 89 H GLN 13 H GLN 13 -6.266 -9.350 -0.170 90 HA GLN 13 HA GLN 13 -5.478 -8.480 2.376 91 1HB GLN 13 HB2 GLN 13 -7.466 -10.361 1.256 92 2HB GLN 13 HB3 GLN 13 -6.936 -10.812 2.841 93 1HG GLN 13 HG2 GLN 13 -7.761 -7.941 2.272 94 2HG GLN 13 HG3 GLN 13 -8.993 -9.185 2.431 95 1HE2 GLN 13 HE21 GLN 13 -8.737 -6.955 4.229 96 2HE2 GLN 13 HE22 GLN 13 -8.503 -7.666 5.813 97 H LYS 14 H LYS 14 -4.965 -11.708 0.877 98 HA LYS 14 HA LYS 14 -3.771 -12.845 3.120 99 1HB LYS 14 HB2 LYS 14 -3.014 -14.587 1.795 100 2HB LYS 14 HB3 LYS 14 -4.469 -13.989 0.999 101 1HG LYS 14 HG2 LYS 14 -3.357 -13.648 -0.923 102 2HG LYS 14 HG3 LYS 14 -2.223 -12.605 -0.107 103 1HD LYS 14 HD2 LYS 14 -0.782 -14.163 -0.945 104 2HD LYS 14 HD3 LYS 14 -1.041 -14.761 0.698 105 1HE LYS 14 HE2 LYS 14 -3.104 -16.045 -0.579 106 2HE LYS 14 HE3 LYS 14 -2.057 -15.777 -1.979 107 1HZ LYS 14 HZ1 LYS 14 -1.389 -17.236 0.487 108 2HZ LYS 14 HZ2 LYS 14 -1.607 -17.876 -1.012 109 3HZ LYS 14 HZ3 LYS 14 -0.299 -16.918 -0.712 110 H HIS 15 H HIS 15 -2.406 -10.513 0.969 111 HA HIS 15 HA HIS 15 0.378 -10.835 1.898 112 1HB HIS 15 HB2 HIS 15 -0.997 -9.082 -0.102 113 2HB HIS 15 HB3 HIS 15 0.599 -8.647 0.541 114 HD1 HIS 15 HD1 HIS 15 2.606 -9.798 -0.525 115 HD2 HIS 15 HD2 HIS 15 -1.081 -11.474 -1.506 116 HE1 HIS 15 HE1 HIS 15 3.097 -11.628 -2.233 117 H ASN 16 H ASN 16 -0.648 -10.669 4.139 118 HA ASN 16 HA ASN 16 -0.299 -7.881 5.151 119 1HB ASN 16 HB2 ASN 16 -2.173 -7.982 6.586 120 2HB ASN 16 HB3 ASN 16 -2.764 -8.387 4.979 121 1HD2 ASN 16 HD21 ASN 16 -2.824 -10.881 4.578 122 2HD2 ASN 16 HD22 ASN 16 -3.293 -11.919 5.916 123 H ASN 17 H ASN 17 1.840 -9.517 5.208 124 HA ASN 17 HA ASN 17 1.944 -10.418 8.057 125 1HB ASN 17 HB2 ASN 17 1.727 -12.224 5.880 126 2HB ASN 17 HB3 ASN 17 3.449 -12.199 6.265 127 1HD2 ASN 17 HD21 ASN 17 0.762 -13.919 6.909 128 2HD2 ASN 17 HD22 ASN 17 1.083 -14.397 8.563 129 H SER 18 H SER 18 4.277 -11.044 8.622 130 HA SER 18 HA SER 18 5.925 -8.693 8.006 131 1HB SER 18 HB2 SER 18 5.797 -9.769 10.287 132 2HB SER 18 HB3 SER 18 6.705 -11.146 9.631 133 HG SER 18 HG SER 18 8.369 -9.701 9.108 134 H LYS 19 H LYS 19 5.588 -9.582 5.619 135 HA LYS 19 HA LYS 19 8.153 -10.497 4.701 136 1HB LYS 19 HB2 LYS 19 5.812 -12.413 4.771 137 2HB LYS 19 HB3 LYS 19 6.657 -12.251 3.239 138 1HG LYS 19 HG2 LYS 19 8.837 -12.524 4.765 139 2HG LYS 19 HG3 LYS 19 7.705 -13.331 5.856 140 1HD LYS 19 HD2 LYS 19 7.105 -14.923 4.058 141 2HD LYS 19 HD3 LYS 19 8.018 -13.960 2.881 142 1HE LYS 19 HE2 LYS 19 10.077 -14.418 4.498 143 2HE LYS 19 HE3 LYS 19 9.083 -15.767 5.065 144 1HZ LYS 19 HZ1 LYS 19 8.986 -16.486 2.720 145 2HZ LYS 19 HZ2 LYS 19 9.988 -15.247 2.303 146 3HZ LYS 19 HZ3 LYS 19 10.527 -16.436 3.297 147 H SER 20 H SER 20 4.688 -10.009 3.752 148 HA SER 20 HA SER 20 5.615 -8.100 1.702 149 1HB SER 20 HB2 SER 20 3.800 -10.416 1.099 150 2HB SER 20 HB3 SER 20 4.269 -9.043 0.042 151 HG SER 20 HG SER 20 6.444 -9.761 0.264 152 H THR 21 H THR 21 4.600 -6.340 2.310 153 HA THR 21 HA THR 21 1.801 -6.253 3.291 154 HB THR 21 HB THR 21 4.161 -4.351 3.167 155 HG1 THR 21 HG1 THR 21 3.940 -4.508 5.397 156 1HG2 THR 21 HG21 THR 21 2.807 -2.584 3.151 157 2HG2 THR 21 HG22 THR 21 1.345 -3.551 3.335 158 3HG2 THR 21 HG23 THR 21 2.282 -3.076 4.762 159 H TRP 22 H TRP 22 0.406 -6.402 1.557 160 HA TRP 22 HA TRP 22 0.789 -4.519 -0.744 161 1HB TRP 22 HB2 TRP 22 -0.990 -6.942 -0.364 162 2HB TRP 22 HB3 TRP 22 -1.076 -5.854 -1.727 163 HD1 TRP 22 HD1 TRP 22 2.482 -6.605 -0.787 164 HE1 TRP 22 HE1 TRP 22 3.557 -7.962 -2.533 165 HE3 TRP 22 HE3 TRP 22 -1.718 -7.827 -3.427 166 HZ2 TRP 22 HZ2 TRP 22 2.728 -9.485 -4.924 167 HZ3 TRP 22 HZ3 TRP 22 -1.561 -9.299 -5.389 168 HH2 TRP 22 HH2 TRP 22 0.675 -10.047 -6.230 169 H LEU 23 H LEU 23 -1.582 -3.746 -1.438 170 HA LEU 23 HA LEU 23 -3.645 -3.403 0.404 171 1HB LEU 23 HB2 LEU 23 -3.206 -0.883 0.875 172 2HB LEU 23 HB3 LEU 23 -2.477 -2.103 1.879 173 HG LEU 23 HG LEU 23 -0.335 -1.866 0.420 174 1HD1 LEU 23 HD11 LEU 23 -0.085 0.353 -0.633 175 2HD1 LEU 23 HD12 LEU 23 -1.289 -0.630 -1.486 176 3HD1 LEU 23 HD13 LEU 23 -1.803 0.657 -0.371 177 1HD2 LEU 23 HD21 LEU 23 -0.681 -0.947 2.738 178 2HD2 LEU 23 HD22 LEU 23 0.470 -0.077 1.689 179 3HD2 LEU 23 HD23 LEU 23 -1.175 0.570 1.953 180 H ILE 24 H ILE 24 -5.055 -1.486 -0.371 181 HA ILE 24 HA ILE 24 -4.735 -1.159 -3.346 182 HB ILE 24 HB ILE 24 -7.259 -1.431 -1.716 183 1HG1 ILE 24 HG12 ILE 24 -6.528 -3.095 -4.114 184 2HG1 ILE 24 HG13 ILE 24 -5.776 -3.475 -2.566 185 1HG2 ILE 24 HG21 ILE 24 -8.445 -1.217 -3.905 186 2HG2 ILE 24 HG22 ILE 24 -7.627 0.277 -3.452 187 3HG2 ILE 24 HG23 ILE 24 -6.903 -0.793 -4.674 188 1HD1 ILE 24 HD11 ILE 24 -7.869 -4.777 -2.831 189 2HD1 ILE 24 HD12 ILE 24 -7.913 -3.702 -1.428 190 3HD1 ILE 24 HD13 ILE 24 -8.796 -3.269 -2.902 191 H LEU 25 H LEU 25 -4.337 0.827 -3.922 192 HA LEU 25 HA LEU 25 -5.326 3.206 -2.400 193 1HB LEU 25 HB2 LEU 25 -2.614 2.339 -3.270 194 2HB LEU 25 HB3 LEU 25 -3.026 4.018 -3.625 195 HG LEU 25 HG LEU 25 -2.998 4.694 -1.530 196 1HD1 LEU 25 HD11 LEU 25 -3.463 1.863 -0.750 197 2HD1 LEU 25 HD12 LEU 25 -3.006 3.118 0.436 198 3HD1 LEU 25 HD13 LEU 25 -4.471 3.289 -0.509 199 1HD2 LEU 25 HD21 LEU 25 -0.743 3.422 -2.487 200 2HD2 LEU 25 HD22 LEU 25 -0.812 4.440 -1.049 201 3HD2 LEU 25 HD23 LEU 25 -0.923 2.684 -0.890 202 H HIS 26 H HIS 26 -7.095 3.423 -3.685 203 HA HIS 26 HA HIS 26 -8.267 4.275 -5.416 204 1HB HIS 26 HB2 HIS 26 -5.711 4.972 -6.883 205 2HB HIS 26 HB3 HIS 26 -7.318 5.658 -7.083 206 HD1 HIS 26 HD1 HIS 26 -8.071 7.467 -5.180 207 HD2 HIS 26 HD2 HIS 26 -4.217 5.818 -4.891 208 HE1 HIS 26 HE1 HIS 26 -6.764 8.977 -3.634 209 H TYR 27 H TYR 27 -8.166 1.642 -5.382 210 HA TYR 27 HA TYR 27 -8.438 -0.265 -6.573 211 1HB TYR 27 HB2 TYR 27 -8.696 1.489 -9.035 212 2HB TYR 27 HB3 TYR 27 -9.398 -0.095 -8.777 213 HD1 TYR 27 HD1 TYR 27 -10.569 2.882 -9.404 214 HD2 TYR 27 HD2 TYR 27 -10.546 0.260 -5.969 215 HE1 TYR 27 HE1 TYR 27 -12.683 3.893 -8.589 216 HE2 TYR 27 HE2 TYR 27 -12.672 1.205 -5.222 217 HH TYR 27 HH TYR 27 -14.342 2.721 -5.650 218 H LYS 28 H LYS 28 -5.664 1.066 -6.456 219 HA LYS 28 HA LYS 28 -4.364 -0.617 -8.535 220 1HB LYS 28 HB2 LYS 28 -3.718 2.166 -7.571 221 2HB LYS 28 HB3 LYS 28 -2.507 1.117 -8.337 222 1HG LYS 28 HG2 LYS 28 -3.837 0.921 -10.336 223 2HG LYS 28 HG3 LYS 28 -5.218 1.748 -9.583 224 1HD LYS 28 HD2 LYS 28 -3.974 3.821 -9.428 225 2HD LYS 28 HD3 LYS 28 -2.518 3.065 -10.081 226 1HE LYS 28 HE2 LYS 28 -4.830 2.555 -11.859 227 2HE LYS 28 HE3 LYS 28 -4.730 4.276 -11.490 228 1HZ LYS 28 HZ1 LYS 28 -3.460 3.935 -13.362 229 2HZ LYS 28 HZ2 LYS 28 -2.329 4.050 -12.170 230 3HZ LYS 28 HZ3 LYS 28 -2.736 2.575 -12.793 231 H VAL 29 H VAL 29 -3.024 -2.096 -7.744 232 HA VAL 29 HA VAL 29 -2.691 -2.256 -4.840 233 HB VAL 29 HB VAL 29 -1.842 -4.290 -6.908 234 1HG1 VAL 29 HG11 VAL 29 -1.055 -4.498 -4.469 235 2HG1 VAL 29 HG12 VAL 29 -2.758 -4.617 -4.022 236 3HG1 VAL 29 HG13 VAL 29 -2.022 -5.853 -5.063 237 1HG2 VAL 29 HG21 VAL 29 -4.574 -3.804 -5.693 238 2HG2 VAL 29 HG22 VAL 29 -4.126 -3.974 -7.410 239 3HG2 VAL 29 HG23 VAL 29 -4.058 -5.372 -6.341 240 H TYR 30 H TYR 30 -0.768 -2.142 -3.815 241 HA TYR 30 HA TYR 30 1.703 -1.586 -5.392 242 1HB TYR 30 HB2 TYR 30 0.676 -0.164 -2.916 243 2HB TYR 30 HB3 TYR 30 2.230 0.125 -3.685 244 HD1 TYR 30 HD1 TYR 30 2.303 1.191 -5.938 245 HD2 TYR 30 HD2 TYR 30 -1.429 0.519 -3.969 246 HE1 TYR 30 HE1 TYR 30 1.151 2.737 -7.559 247 HE2 TYR 30 HE2 TYR 30 -2.524 2.104 -5.510 248 HH TYR 30 HH TYR 30 -2.247 3.691 -7.094 249 H ASP 31 H ASP 31 3.084 -3.218 -4.951 250 HA ASP 31 HA ASP 31 3.027 -4.631 -2.327 251 1HB ASP 31 HB2 ASP 31 3.252 -6.055 -4.317 252 2HB ASP 31 HB3 ASP 31 4.632 -5.083 -4.871 253 H LEU 32 H LEU 32 4.019 -3.284 -0.836 254 HA LEU 32 HA LEU 32 6.557 -1.979 -1.671 255 1HB LEU 32 HB2 LEU 32 4.825 -1.271 0.723 256 2HB LEU 32 HB3 LEU 32 6.317 -0.539 0.146 257 HG LEU 32 HG LEU 32 4.755 -0.450 -2.137 258 1HD1 LEU 32 HD11 LEU 32 2.919 0.127 0.238 259 2HD1 LEU 32 HD12 LEU 32 2.508 0.131 -1.493 260 3HD1 LEU 32 HD13 LEU 32 2.867 -1.383 -0.677 261 1HD2 LEU 32 HD21 LEU 32 4.852 1.656 0.048 262 2HD2 LEU 32 HD22 LEU 32 6.142 1.330 -1.124 263 3HD2 LEU 32 HD23 LEU 32 4.575 1.915 -1.698 264 H THR 33 H THR 33 5.601 -2.841 1.615 265 HA THR 33 HA THR 33 6.516 -4.018 3.186 266 HB THR 33 HB THR 33 6.227 -5.785 1.095 267 HG1 THR 33 HG1 THR 33 6.984 -6.331 3.769 268 1HG2 THR 33 HG21 THR 33 8.661 -5.981 0.667 269 2HG2 THR 33 HG22 THR 33 8.911 -6.442 2.375 270 3HG2 THR 33 HG23 THR 33 7.949 -7.446 1.275 271 H LYS 34 H LYS 34 9.018 -3.881 0.612 272 HA LYS 34 HA LYS 34 11.173 -3.788 2.554 273 1HB LYS 34 HB2 LYS 34 11.241 -4.750 0.193 274 2HB LYS 34 HB3 LYS 34 11.210 -3.080 -0.403 275 1HG LYS 34 HG2 LYS 34 13.277 -2.645 0.987 276 2HG LYS 34 HG3 LYS 34 13.304 -4.360 1.436 277 1HD LYS 34 HD2 LYS 34 13.596 -4.999 -0.928 278 2HD LYS 34 HD3 LYS 34 13.346 -3.311 -1.424 279 1HE LYS 34 HE2 LYS 34 15.381 -2.789 0.182 280 2HE LYS 34 HE3 LYS 34 15.725 -4.519 0.055 281 1HZ LYS 34 HZ1 LYS 34 15.482 -2.624 -2.197 282 2HZ LYS 34 HZ2 LYS 34 16.899 -3.140 -1.550 283 3HZ LYS 34 HZ3 LYS 34 15.915 -4.212 -2.326 284 H PHE 35 H PHE 35 8.823 -1.571 1.475 285 HA PHE 35 HA PHE 35 10.538 0.828 1.796 286 1HB PHE 35 HB2 PHE 35 8.803 0.409 -0.118 287 2HB PHE 35 HB3 PHE 35 7.613 0.722 1.148 288 HD1 PHE 35 HD1 PHE 35 10.837 2.265 -0.033 289 HD2 PHE 35 HD2 PHE 35 6.712 2.924 1.037 290 HE1 PHE 35 HE1 PHE 35 11.098 4.656 -0.540 291 HE2 PHE 35 HE2 PHE 35 6.951 5.315 0.444 292 HZ PHE 35 HZ PHE 35 9.148 6.200 -0.332 293 H LEU 36 H LEU 36 8.786 -1.326 3.819 294 HA LEU 36 HA LEU 36 7.184 0.432 5.328 295 1HB LEU 36 HB2 LEU 36 8.750 -2.058 6.111 296 2HB LEU 36 HB3 LEU 36 7.563 -1.292 7.165 297 HG LEU 36 HG LEU 36 6.841 -2.242 4.384 298 1HD1 LEU 36 HD11 LEU 36 5.925 -4.272 5.595 299 2HD1 LEU 36 HD12 LEU 36 7.678 -4.154 5.779 300 3HD1 LEU 36 HD13 LEU 36 6.622 -3.654 7.107 301 1HD2 LEU 36 HD21 LEU 36 4.546 -2.262 5.367 302 2HD2 LEU 36 HD22 LEU 36 5.195 -1.458 6.813 303 3HD2 LEU 36 HD23 LEU 36 5.276 -0.661 5.221 304 H GLU 37 H GLU 37 10.566 -0.604 6.057 305 HA GLU 37 HA GLU 37 10.891 1.270 8.167 306 1HB GLU 37 HB2 GLU 37 13.275 0.761 7.983 307 2HB GLU 37 HB3 GLU 37 12.278 -0.694 8.000 308 1HG GLU 37 HG2 GLU 37 12.571 -0.941 5.536 309 2HG GLU 37 HG3 GLU 37 13.529 0.551 5.505 310 H GLU 38 H GLU 38 11.445 1.532 4.675 311 HA GLU 38 HA GLU 38 12.864 3.998 4.676 312 1HB GLU 38 HB2 GLU 38 11.075 2.801 2.549 313 2HB GLU 38 HB3 GLU 38 12.268 4.039 2.284 314 1HG GLU 38 HG2 GLU 38 13.863 2.157 3.471 315 2HG GLU 38 HG3 GLU 38 12.685 1.109 2.686 316 H HIS 39 HN HIS 39 9.420 3.210 4.680 317 HA HIS 39 HA HIS 39 8.475 5.730 3.869 318 1HB HIS 39 HB2 HIS 39 7.211 3.697 3.586 319 2HB HIS 39 HB3 HIS 39 7.126 3.465 5.338 320 HD1 HIS 39 HND HIS 39 5.470 5.025 6.674 321 HD2 HIS 39 HD HIS 39 5.494 5.498 2.494 322 HE1 HIS 39 HE HIS 39 3.435 6.350 6.118 323 HA PRO 40 HA PRO 40 9.532 7.828 7.590 324 1HB PRO 40 HB2 PRO 40 8.212 10.238 7.291 325 2HB PRO 40 HB3 PRO 40 9.672 9.759 6.381 326 1HG PRO 40 HG2 PRO 40 6.794 9.593 5.500 327 2HG PRO 40 HG3 PRO 40 8.205 10.174 4.564 328 1HD PRO 40 HD2 PRO 40 7.185 7.665 4.269 329 2HD PRO 40 HD3 PRO 40 8.943 7.980 4.136 330 H GLY 41 H GLY 41 6.070 7.586 6.829 331 1HA GLY 41 HA1 GLY 41 4.875 8.347 9.210 332 2HA GLY 41 HA2 GLY 41 4.281 7.047 8.178 333 H GLY 42 H GLY 42 6.916 5.490 8.760 334 1HA GLY 42 HA1 GLY 42 7.820 4.357 10.594 335 2HA GLY 42 HA2 GLY 42 6.426 4.735 11.605 336 H GLU 43 H GLU 43 7.916 2.254 10.177 337 HA GLU 43 HA GLU 43 6.005 0.697 8.863 338 1HB GLU 43 HB2 GLU 43 7.435 -1.196 9.751 339 2HB GLU 43 HB3 GLU 43 8.230 0.036 8.763 340 1HG GLU 43 HG2 GLU 43 9.498 0.884 10.488 341 2HG GLU 43 HG3 GLU 43 8.350 0.391 11.746 342 H ALA 44 H ALA 44 4.075 0.808 9.754 343 HA ALA 44 HA ALA 44 3.210 -1.069 11.739 344 1HB ALA 44 HB1 ALA 44 4.032 0.365 13.485 345 2HB ALA 44 HB2 ALA 44 3.535 1.839 12.628 346 3HB ALA 44 HB3 ALA 44 2.315 0.764 13.346 347 H VAL 45 H VAL 45 2.319 2.315 10.783 348 HA VAL 45 HA VAL 45 -0.376 1.548 10.438 349 HB VAL 45 HB VAL 45 0.552 3.861 10.848 350 1HG1 VAL 45 HG11 VAL 45 0.926 5.323 8.932 351 2HG1 VAL 45 HG12 VAL 45 2.098 3.992 8.889 352 3HG1 VAL 45 HG13 VAL 45 0.693 3.989 7.796 353 1HG2 VAL 45 HG21 VAL 45 -1.545 3.962 8.701 354 2HG2 VAL 45 HG22 VAL 45 -1.897 3.155 10.235 355 3HG2 VAL 45 HG23 VAL 45 -1.426 4.859 10.214 356 H LEU 46 H LEU 46 2.327 1.798 7.976 357 HA LEU 46 HA LEU 46 0.630 1.038 5.823 358 1HB LEU 46 HB2 LEU 46 3.601 0.800 6.393 359 2HB LEU 46 HB3 LEU 46 2.908 -0.014 4.986 360 HG LEU 46 HG LEU 46 2.710 2.978 5.511 361 1HD1 LEU 46 HD11 LEU 46 4.396 1.296 3.600 362 2HD1 LEU 46 HD12 LEU 46 4.196 3.048 3.472 363 3HD1 LEU 46 HD13 LEU 46 4.969 2.349 4.912 364 1HD2 LEU 46 HD21 LEU 46 0.800 2.428 4.217 365 2HD2 LEU 46 HD22 LEU 46 1.997 2.812 2.985 366 3HD2 LEU 46 HD23 LEU 46 1.631 1.122 3.348 367 H ARG 47 H ARG 47 1.910 -0.938 8.444 368 HA ARG 47 HA ARG 47 1.416 -3.431 6.992 369 1HB ARG 47 HB2 ARG 47 3.238 -3.164 8.667 370 2HB ARG 47 HB3 ARG 47 2.008 -3.008 9.924 371 1HG ARG 47 HG2 ARG 47 1.921 -5.246 10.082 372 2HG ARG 47 HG3 ARG 47 1.235 -5.322 8.464 373 1HD ARG 47 HD2 ARG 47 3.082 -6.752 8.261 374 2HD ARG 47 HD3 ARG 47 3.616 -5.258 7.536 375 HE ARG 47 HE ARG 47 5.225 -5.023 9.159 376 1HH1 ARG 47 HH11 ARG 47 5.769 -6.781 12.170 377 2HH1 ARG 47 HH12 ARG 47 6.413 -5.613 11.069 378 1HH2 ARG 47 HH21 ARG 47 3.629 -7.750 11.742 379 2HH2 ARG 47 HH22 ARG 47 2.784 -7.274 10.301 380 H ALA 48 H ALA 48 -0.123 -1.496 9.602 381 HA ALA 48 HA ALA 48 -2.194 -3.339 10.226 382 1HB ALA 48 HB1 ALA 48 -3.284 -1.355 11.267 383 2HB ALA 48 HB2 ALA 48 -1.575 -1.516 11.721 384 3HB ALA 48 HB3 ALA 48 -2.065 -0.306 10.511 385 H GLN 49 H GLN 49 -2.019 -0.658 7.840 386 HA GLN 49 HA GLN 49 -4.734 -1.227 6.847 387 1HB GLN 49 HB2 GLN 49 -2.444 0.650 6.237 388 2HB GLN 49 HB3 GLN 49 -3.774 0.501 5.109 389 1HG GLN 49 HG2 GLN 49 -4.106 1.314 8.022 390 2HG GLN 49 HG3 GLN 49 -4.206 2.376 6.605 391 1HE2 GLN 49 HE21 GLN 49 -6.234 0.963 8.771 392 2HE2 GLN 49 HE22 GLN 49 -7.608 0.759 7.693 393 H ALA 50 H ALA 50 -1.720 -2.733 6.429 394 HA ALA 50 HA ALA 50 -1.738 -3.165 3.655 395 1HB ALA 50 HB1 ALA 50 -0.880 -5.239 5.727 396 2HB ALA 50 HB2 ALA 50 -0.333 -5.098 4.055 397 3HB ALA 50 HB3 ALA 50 0.118 -3.856 5.236 398 H GLY 51 H GLY 51 -2.489 -5.028 2.469 399 1HA GLY 51 HA1 GLY 51 -4.098 -6.475 1.761 400 2HA GLY 51 HA2 GLY 51 -4.046 -7.136 3.413 401 H GLY 52 H GLY 52 -5.093 -3.904 2.140 402 1HA GLY 52 HA1 GLY 52 -7.908 -4.500 2.393 403 2HA GLY 52 HA2 GLY 52 -7.282 -3.480 3.713 404 H ASP 53 H ASP 53 -9.147 -2.397 2.021 405 HA ASP 53 HA ASP 53 -7.881 -0.603 0.109 406 1HB ASP 53 HB2 ASP 53 -10.281 -0.749 -0.035 407 2HB ASP 53 HB3 ASP 53 -10.460 -0.409 1.703 408 H ALA 54 H ALA 54 -6.416 0.837 0.645 409 HA ALA 54 HA ALA 54 -6.586 2.155 3.330 410 1HB ALA 54 HB1 ALA 54 -4.628 0.570 3.135 411 2HB ALA 54 HB2 ALA 54 -4.014 1.576 1.818 412 3HB ALA 54 HB3 ALA 54 -4.203 2.284 3.440 413 H THR 55 H THR 55 -7.562 2.616 0.343 414 HA THR 55 HA THR 55 -6.072 4.832 -0.645 415 HB THR 55 HB THR 55 -9.074 4.365 -0.975 416 HG1 THR 55 HG1 THR 55 -8.154 2.457 -1.465 417 1HG2 THR 55 HG21 THR 55 -8.162 6.469 -1.933 418 2HG2 THR 55 HG22 THR 55 -6.871 5.536 -2.725 419 3HG2 THR 55 HG23 THR 55 -8.569 5.324 -3.228 420 H ALA 56 H ALA 56 -8.934 4.575 1.444 421 HA ALA 56 HA ALA 56 -9.315 7.339 1.939 422 1HB ALA 56 HB1 ALA 56 -10.567 6.547 3.951 423 2HB ALA 56 HB2 ALA 56 -11.022 5.680 2.471 424 3HB ALA 56 HB3 ALA 56 -9.958 4.902 3.664 425 H ASN 57 H ASN 57 -7.238 4.938 3.645 426 HA ASN 57 HA ASN 57 -6.469 6.765 5.730 427 1HB ASN 57 HB2 ASN 57 -5.270 4.177 4.694 428 2HB ASN 57 HB3 ASN 57 -4.530 5.125 5.989 429 1HD2 ASN 57 HD21 ASN 57 -5.061 4.421 8.018 430 2HD2 ASN 57 HD22 ASN 57 -6.611 3.692 8.414 431 H PHE 58 H PHE 58 -4.852 5.729 2.738 432 HA PHE 58 HA PHE 58 -2.491 7.216 2.831 433 1HB PHE 58 HB2 PHE 58 -3.042 5.505 1.159 434 2HB PHE 58 HB3 PHE 58 -4.313 6.508 0.488 435 HD1 PHE 58 HD1 PHE 58 -0.669 6.841 1.289 436 HD2 PHE 58 HD2 PHE 58 -3.779 7.450 -1.607 437 HE1 PHE 58 HE1 PHE 58 1.037 7.522 -0.390 438 HE2 PHE 58 HE2 PHE 58 -2.087 8.130 -3.273 439 HZ PHE 58 HZ PHE 58 0.334 8.187 -2.663 440 H GLU 59 H GLU 59 -5.645 8.155 1.429 441 HA GLU 59 HA GLU 59 -4.938 10.846 0.803 442 1HB GLU 59 HB2 GLU 59 -7.565 9.390 1.139 443 2HB GLU 59 HB3 GLU 59 -7.448 11.052 0.547 444 1HG GLU 59 HG2 GLU 59 -5.668 9.049 -0.834 445 2HG GLU 59 HG3 GLU 59 -7.404 8.876 -1.084 446 H ALA 60 H ALA 60 -6.699 9.419 3.592 447 HA ALA 60 HA ALA 60 -7.514 11.779 4.869 448 1HB ALA 60 HB1 ALA 60 -6.666 9.109 6.077 449 2HB ALA 60 HB2 ALA 60 -7.464 10.409 6.974 450 3HB ALA 60 HB3 ALA 60 -8.317 9.615 5.641 451 H VAL 61 H VAL 61 -4.457 9.933 5.226 452 HA VAL 61 HA VAL 61 -3.199 11.851 6.987 453 HB VAL 61 HB VAL 61 -2.109 9.772 5.049 454 1HG1 VAL 61 HG11 VAL 61 -0.402 11.519 5.325 455 2HG1 VAL 61 HG12 VAL 61 -0.667 11.524 7.081 456 3HG1 VAL 61 HG13 VAL 61 0.021 10.108 6.259 457 1HG2 VAL 61 HG21 VAL 61 -2.259 8.292 6.769 458 2HG2 VAL 61 HG22 VAL 61 -1.668 9.466 7.962 459 3HG2 VAL 61 HG23 VAL 61 -3.377 9.435 7.529 460 H GLY 62 H GLY 62 -3.037 11.326 3.418 461 1HA GLY 62 HA1 GLY 62 -3.075 13.064 1.831 462 2HA GLY 62 HA2 GLY 62 -2.534 14.249 3.029 463 H HIS 63 HN HIS 63 -1.393 13.529 0.347 464 HA HIS 63 HA HIS 63 1.401 12.992 1.082 465 1HB HIS 63 HB2 HIS 63 -0.321 11.199 -0.705 466 2HB HIS 63 HB3 HIS 63 1.433 11.271 -0.762 467 HD1 HIS 63 HND HIS 63 -1.255 10.197 1.875 468 HD2 HIS 63 HD HIS 63 2.758 9.704 0.705 469 HE1 HIS 63 HE HIS 63 -0.284 8.423 3.378 470 H SER 64 H SER 64 2.775 13.336 -0.915 471 HA SER 64 HA SER 64 1.690 15.657 -2.417 472 1HB SER 64 HB2 SER 64 4.007 16.259 -2.742 473 2HB SER 64 HB3 SER 64 3.768 15.906 -1.026 474 HG SER 64 HG SER 64 4.946 14.104 -1.234 475 H THR 65 H THR 65 2.761 15.910 -4.670 476 HA THR 65 HA THR 65 1.894 13.964 -6.490 477 HB THR 65 HB THR 65 3.600 15.319 -7.955 478 HG1 THR 65 HG1 THR 65 4.438 17.122 -6.907 479 1HG2 THR 65 HG21 THR 65 1.170 15.866 -7.844 480 2HG2 THR 65 HG22 THR 65 1.458 16.846 -6.389 481 3HG2 THR 65 HG23 THR 65 2.166 17.331 -7.942 482 H ASP 66 H ASP 66 5.116 14.597 -5.067 483 HA ASP 66 HA ASP 66 6.597 12.709 -6.487 484 1HB ASP 66 HB2 ASP 66 7.149 14.472 -4.443 485 2HB ASP 66 HB3 ASP 66 7.100 12.995 -3.499 486 H ALA 67 H ALA 67 4.620 12.293 -3.587 487 HA ALA 67 HA ALA 67 5.186 9.487 -3.213 488 1HB ALA 67 HB1 ALA 67 2.540 10.472 -2.353 489 2HB ALA 67 HB2 ALA 67 3.766 9.571 -1.456 490 3HB ALA 67 HB3 ALA 67 3.930 11.332 -1.644 491 H ARG 68 H ARG 68 2.599 11.316 -4.880 492 HA ARG 68 HA ARG 68 0.921 9.184 -5.578 493 1HB ARG 68 HB2 ARG 68 1.502 11.730 -7.143 494 2HB ARG 68 HB3 ARG 68 0.186 10.638 -7.488 495 1HG ARG 68 HG2 ARG 68 0.478 11.885 -4.728 496 2HG ARG 68 HG3 ARG 68 -0.283 12.769 -6.048 497 1HD ARG 68 HD2 ARG 68 -1.129 10.032 -5.058 498 2HD ARG 68 HD3 ARG 68 -1.852 11.569 -4.540 499 HE ARG 68 HE ARG 68 -2.089 11.795 -7.212 500 1HH1 ARG 68 HH11 ARG 68 -4.815 9.729 -8.027 501 2HH1 ARG 68 HH12 ARG 68 -3.833 11.068 -8.527 502 1HH2 ARG 68 HH21 ARG 68 -4.395 8.685 -5.890 503 2HH2 ARG 68 HH22 ARG 68 -3.129 9.324 -4.931 504 H GLU 69 H GLU 69 3.887 10.459 -7.119 505 HA GLU 69 HA GLU 69 3.744 8.754 -9.485 506 1HB GLU 69 HB2 GLU 69 5.416 10.949 -8.396 507 2HB GLU 69 HB3 GLU 69 6.256 9.851 -9.476 508 1HG GLU 69 HG2 GLU 69 3.550 11.049 -10.217 509 2HG GLU 69 HG3 GLU 69 5.069 11.902 -10.490 510 H LEU 70 H LEU 70 5.663 8.928 -6.484 511 HA LEU 70 HA LEU 70 7.345 6.781 -6.913 512 1HB LEU 70 HB2 LEU 70 7.468 8.428 -5.090 513 2HB LEU 70 HB3 LEU 70 6.044 7.692 -4.362 514 HG LEU 70 HG LEU 70 7.352 6.440 -3.121 515 1HD1 LEU 70 HD11 LEU 70 7.204 4.651 -4.594 516 2HD1 LEU 70 HD12 LEU 70 8.457 5.284 -5.700 517 3HD1 LEU 70 HD13 LEU 70 8.902 4.702 -4.094 518 1HD2 LEU 70 HD21 LEU 70 9.877 7.155 -4.576 519 2HD2 LEU 70 HD22 LEU 70 9.044 8.287 -3.474 520 3HD2 LEU 70 HD23 LEU 70 9.608 6.722 -2.869 521 H SER 71 H SER 71 4.098 6.805 -5.425 522 HA SER 71 HA SER 71 3.668 4.100 -4.986 523 1HB SER 71 HB2 SER 71 1.598 5.987 -6.174 524 2HB SER 71 HB3 SER 71 1.305 4.476 -5.300 525 HG SER 71 HG SER 71 2.704 6.662 -4.155 526 H LYS 72 H LYS 72 3.303 5.768 -8.235 527 HA LYS 72 HA LYS 72 2.497 3.423 -9.593 528 1HB LYS 72 HB2 LYS 72 4.102 5.785 -10.644 529 2HB LYS 72 HB3 LYS 72 3.606 4.401 -11.608 530 1HG LYS 72 HG2 LYS 72 1.184 4.931 -10.788 531 2HG LYS 72 HG3 LYS 72 1.876 6.505 -10.329 532 1HD LYS 72 HD2 LYS 72 2.950 6.249 -12.824 533 2HD LYS 72 HD3 LYS 72 1.569 5.186 -13.055 534 1HE LYS 72 HE2 LYS 72 0.304 7.020 -13.515 535 2HE LYS 72 HE3 LYS 72 0.525 7.566 -11.846 536 1HZ LYS 72 HZ1 LYS 72 1.321 9.261 -13.283 537 2HZ LYS 72 HZ2 LYS 72 2.627 8.586 -12.597 538 3HZ LYS 72 HZ3 LYS 72 2.271 8.223 -14.138 539 H THR 73 H THR 73 5.783 4.497 -8.663 540 HA THR 73 HA THR 73 7.187 2.465 -10.169 541 HB THR 73 HB THR 73 7.904 4.468 -8.052 542 HG1 THR 73 HG1 THR 73 8.025 4.828 -10.303 543 1HG2 THR 73 HG21 THR 73 10.186 3.604 -7.876 544 2HG2 THR 73 HG22 THR 73 9.008 2.559 -7.072 545 3HG2 THR 73 HG23 THR 73 9.682 2.089 -8.655 546 H PHE 74 H PHE 74 5.387 2.378 -7.221 547 HA PHE 74 HA PHE 74 6.387 -0.378 -6.605 548 1HB PHE 74 HB2 PHE 74 4.725 1.608 -5.015 549 2HB PHE 74 HB3 PHE 74 4.917 -0.077 -4.549 550 HD1 PHE 74 HD1 PHE 74 6.032 2.963 -3.574 551 HD2 PHE 74 HD2 PHE 74 7.520 -0.925 -4.680 552 HE1 PHE 74 HE1 PHE 74 8.110 3.376 -2.276 553 HE2 PHE 74 HE2 PHE 74 9.638 -0.455 -3.489 554 HZ PHE 74 HZ PHE 74 9.957 1.718 -2.328 555 H ILE 75 H ILE 75 4.123 0.930 -8.661 556 HA ILE 75 HA ILE 75 1.785 -0.495 -7.858 557 HB ILE 75 HB ILE 75 2.148 1.401 -9.594 558 1HG1 ILE 75 HG12 ILE 75 0.017 -0.719 -9.588 559 2HG1 ILE 75 HG13 ILE 75 0.102 0.830 -8.722 560 1HG2 ILE 75 HG21 ILE 75 3.442 -0.055 -11.225 561 2HG2 ILE 75 HG22 ILE 75 1.925 -0.942 -11.507 562 3HG2 ILE 75 HG23 ILE 75 2.054 0.786 -11.901 563 1HD1 ILE 75 HD11 ILE 75 0.046 2.052 -10.832 564 2HD1 ILE 75 HD12 ILE 75 -0.212 0.506 -11.703 565 3HD1 ILE 75 HD13 ILE 75 -1.414 1.068 -10.533 566 H ILE 76 H ILE 76 1.205 -2.636 -8.132 567 HA ILE 76 HA ILE 76 3.015 -4.361 -9.828 568 HB ILE 76 HB ILE 76 2.068 -6.192 -8.355 569 1HG1 ILE 76 HG12 ILE 76 1.512 -3.916 -6.402 570 2HG1 ILE 76 HG13 ILE 76 0.257 -4.616 -7.409 571 1HG2 ILE 76 HG21 ILE 76 4.398 -5.218 -8.287 572 2HG2 ILE 76 HG22 ILE 76 3.858 -4.140 -6.988 573 3HG2 ILE 76 HG23 ILE 76 3.848 -5.911 -6.770 574 1HD1 ILE 76 HD11 ILE 76 0.113 -6.489 -6.158 575 2HD1 ILE 76 HD12 ILE 76 1.860 -6.624 -5.941 576 3HD1 ILE 76 HD13 ILE 76 0.926 -5.508 -4.922 577 H GLY 77 H GLY 77 -0.021 -2.948 -9.836 578 1HA GLY 77 HA1 GLY 77 -0.910 -3.770 -12.230 579 2HA GLY 77 HA2 GLY 77 -1.444 -5.112 -11.189 580 H GLU 78 H GLU 78 -3.600 -4.710 -11.148 581 HA GLU 78 HA GLU 78 -4.507 -2.269 -9.809 582 1HB GLU 78 HB2 GLU 78 -5.048 -2.931 -12.641 583 2HB GLU 78 HB3 GLU 78 -6.507 -2.805 -11.676 584 1HG GLU 78 HG2 GLU 78 -5.502 -0.550 -10.829 585 2HG GLU 78 HG3 GLU 78 -4.405 -0.701 -12.207 586 H LEU 79 H LEU 79 -6.792 -2.458 -9.263 587 HA LEU 79 HA LEU 79 -7.293 -4.830 -7.681 588 1HB LEU 79 HB2 LEU 79 -8.022 -2.548 -7.070 589 2HB LEU 79 HB3 LEU 79 -8.971 -2.472 -8.561 590 HG LEU 79 HG LEU 79 -10.243 -4.555 -7.611 591 1HD1 LEU 79 HD11 LEU 79 -9.603 -5.355 -5.641 592 2HD1 LEU 79 HD12 LEU 79 -8.416 -4.063 -5.405 593 3HD1 LEU 79 HD13 LEU 79 -10.092 -3.837 -4.881 594 1HD2 LEU 79 HD21 LEU 79 -11.502 -2.776 -7.913 595 2HD2 LEU 79 HD22 LEU 79 -11.530 -2.700 -6.144 596 3HD2 LEU 79 HD23 LEU 79 -10.438 -1.659 -7.054 597 H HIS 80 H HIS 80 -8.406 -6.611 -8.311 598 HA HIS 80 HA HIS 80 -8.896 -7.292 -10.970 599 1HB HIS 80 HB2 HIS 80 -8.709 -8.710 -8.815 600 2HB HIS 80 HB3 HIS 80 -10.457 -8.522 -8.689 601 HD1 HIS 80 HD1 HIS 80 -11.779 -10.211 -10.294 602 HD2 HIS 80 HD2 HIS 80 -7.625 -10.039 -10.879 603 HE1 HIS 80 HE1 HIS 80 -11.222 -12.042 -11.947 604 HA PRO 81 HA PRO 81 -12.720 -5.320 -11.918 605 1HB PRO 81 HB2 PRO 81 -13.551 -6.745 -14.107 606 2HB PRO 81 HB3 PRO 81 -12.255 -5.517 -14.109 607 1HG PRO 81 HG2 PRO 81 -11.962 -8.519 -13.958 608 2HG PRO 81 HG3 PRO 81 -11.001 -7.357 -14.925 609 1HD PRO 81 HD2 PRO 81 -10.173 -8.405 -12.567 610 2HD PRO 81 HD3 PRO 81 -9.706 -6.762 -13.087 611 H ASP 82 H ASP 82 -12.479 -8.461 -10.655 612 HA ASP 82 HA ASP 82 -15.359 -9.009 -10.537 613 1HB ASP 82 HB2 ASP 82 -13.559 -10.783 -10.757 614 2HB ASP 82 HB3 ASP 82 -13.160 -10.451 -9.032 615 H ASP 83 H ASP 83 -12.888 -7.333 -8.626 616 HA ASP 83 HA ASP 83 -14.273 -7.503 -6.067 617 1HB ASP 83 HB2 ASP 83 -11.897 -7.312 -6.047 618 2HB ASP 83 HB3 ASP 83 -11.936 -5.929 -7.162 619 H ARG 84 H ARG 84 -13.703 -5.041 -8.547 620 HA ARG 84 HA ARG 84 -15.181 -2.971 -7.295 621 1HB ARG 84 HB2 ARG 84 -14.905 -1.747 -9.380 622 2HB ARG 84 HB3 ARG 84 -13.406 -2.566 -8.929 623 1HG ARG 84 HG2 ARG 84 -14.119 -4.453 -10.525 624 2HG ARG 84 HG3 ARG 84 -15.415 -3.399 -11.050 625 1HD ARG 84 HD2 ARG 84 -13.620 -3.186 -12.626 626 2HD ARG 84 HD3 ARG 84 -13.811 -1.669 -11.723 627 HE ARG 84 HE ARG 84 -11.785 -3.404 -10.544 628 1HH1 ARG 84 HH11 ARG 84 -9.031 -1.575 -11.972 629 2HH1 ARG 84 HH12 ARG 84 -9.475 -2.915 -10.955 630 1HH2 ARG 84 HH21 ARG 84 -10.679 -0.653 -13.343 631 2HH2 ARG 84 HH22 ARG 84 -12.351 -1.143 -13.196 632 HHA HEM 201 HGM HEM 201 4.639 10.911 5.129 633 HHB HEM 201 HDM HEM 201 5.705 7.867 -0.473 634 HHC HEM 201 HAM HEM 201 0.719 4.051 0.669 635 HHD HEM 201 HBM HEM 201 -0.014 6.648 6.546 636 1HMA HEM 201 HM81 HEM 201 7.615 10.941 0.676 637 2HMA HEM 201 HM82 HEM 201 7.509 9.301 0.055 638 3HMA HEM 201 HM83 HEM 201 6.343 10.529 -0.484 639 1HAA HEM 201 HAA1 HEM 201 6.623 11.872 3.970 640 2HAA HEM 201 HAA2 HEM 201 6.908 12.175 2.268 641 1HBA HEM 201 HBA1 HEM 201 4.402 12.783 3.859 642 2HBA HEM 201 HBA2 HEM 201 4.368 12.678 2.096 643 1HMB HEM 201 HM11 HEM 201 4.726 6.691 -2.652 644 2HMB HEM 201 HM12 HEM 201 5.838 5.564 -1.835 645 3HMB HEM 201 HM13 HEM 201 4.449 4.941 -2.733 646 HAB HEM 201 HT2A HEM 201 1.936 4.123 -2.393 647 1HBB HEM 201 HV2C HEM 201 2.478 2.401 0.015 648 2HBB HEM 201 HV2T HEM 201 1.427 2.043 -1.494 649 1HMC HEM 201 HM31 HEM 201 -1.192 2.529 3.043 650 2HMC HEM 201 HM32 HEM 201 -2.397 3.775 2.692 651 3HMC HEM 201 HM33 HEM 201 -1.166 3.352 1.484 652 HAC HEM 201 HT4A HEM 201 -2.174 5.535 5.862 653 1HBC HEM 201 HV4C HEM 201 -1.268 2.650 5.345 654 2HBC HEM 201 HV4T HEM 201 -2.242 3.295 6.784 655 1HMD HEM 201 HM51 HEM 201 1.845 7.740 8.938 656 2HMD HEM 201 HM52 HEM 201 1.143 9.363 8.893 657 3HMD HEM 201 HM53 HEM 201 0.216 7.997 8.283 658 1HAD HEM 201 HAD1 HEM 201 3.543 10.005 8.606 659 2HAD HEM 201 HAD2 HEM 201 4.347 10.923 7.356 660 1HBD HEM 201 HBD1 HEM 201 2.724 12.538 7.312 661 2HBD HEM 201 HBD2 HEM 201 1.463 11.437 7.871 Start of MODEL 20 1 1H ALA 3 H1 ALA 3 2.762 -7.483 -18.059 2 2H ALA 3 H2 ALA 3 2.765 -8.833 -18.979 3 3H ALA 3 H3 ALA 3 2.843 -7.347 -19.724 4 HA ALA 3 HA ALA 3 0.654 -6.978 -19.546 5 1HB ALA 3 HB1 ALA 3 -0.723 -9.063 -19.321 6 2HB ALA 3 HB2 ALA 3 0.632 -9.287 -20.445 7 3HB ALA 3 HB3 ALA 3 0.721 -9.949 -18.798 8 H VAL 4 H VAL 4 -1.275 -6.880 -17.970 9 HA VAL 4 HA VAL 4 -0.267 -6.724 -15.166 10 HB VAL 4 HB VAL 4 -2.696 -5.437 -16.478 11 1HG1 VAL 4 HG11 VAL 4 -2.926 -4.252 -14.303 12 2HG1 VAL 4 HG12 VAL 4 -3.202 -5.984 -14.147 13 3HG1 VAL 4 HG13 VAL 4 -1.653 -5.288 -13.622 14 1HG2 VAL 4 HG21 VAL 4 0.097 -4.510 -15.786 15 2HG2 VAL 4 HG22 VAL 4 -0.914 -4.113 -17.192 16 3HG2 VAL 4 HG23 VAL 4 -1.239 -3.361 -15.622 17 H LYS 5 H LYS 5 -1.152 -8.007 -13.666 18 HA LYS 5 HA LYS 5 -3.445 -9.775 -14.397 19 1HB LYS 5 HB2 LYS 5 -1.302 -11.012 -14.381 20 2HB LYS 5 HB3 LYS 5 -1.044 -10.540 -12.689 21 1HG LYS 5 HG2 LYS 5 -3.162 -11.710 -12.059 22 2HG LYS 5 HG3 LYS 5 -3.446 -12.104 -13.756 23 1HD LYS 5 HD2 LYS 5 -2.222 -13.975 -13.556 24 2HD LYS 5 HD3 LYS 5 -0.799 -12.975 -13.269 25 1HE LYS 5 HE2 LYS 5 -1.758 -12.916 -10.753 26 2HE LYS 5 HE3 LYS 5 -2.600 -14.381 -11.282 27 1HZ LYS 5 HZ1 LYS 5 -0.489 -14.866 -10.273 28 2HZ LYS 5 HZ2 LYS 5 -0.422 -15.290 -11.861 29 3HZ LYS 5 HZ3 LYS 5 0.312 -13.911 -11.341 30 H TYR 6 H TYR 6 -4.959 -8.526 -13.463 31 HA TYR 6 HA TYR 6 -4.752 -6.950 -11.183 32 1HB TYR 6 HB2 TYR 6 -7.227 -8.476 -12.047 33 2HB TYR 6 HB3 TYR 6 -7.135 -6.978 -11.116 34 HD1 TYR 6 HD1 TYR 6 -7.011 -8.473 -14.485 35 HD2 TYR 6 HD2 TYR 6 -6.698 -4.855 -12.191 36 HE1 TYR 6 HE1 TYR 6 -7.250 -7.149 -16.557 37 HE2 TYR 6 HE2 TYR 6 -6.916 -3.507 -14.280 38 HH TYR 6 HH TYR 6 -7.418 -5.038 -17.470 39 H TYR 7 H TYR 7 -5.518 -7.262 -8.989 40 HA TYR 7 HA TYR 7 -5.309 -10.104 -8.040 41 1HB TYR 7 HB2 TYR 7 -4.398 -7.574 -6.695 42 2HB TYR 7 HB3 TYR 7 -4.253 -9.197 -6.023 43 HD1 TYR 7 HD1 TYR 7 -3.071 -10.949 -7.788 44 HD2 TYR 7 HD2 TYR 7 -2.289 -6.729 -7.421 45 HE1 TYR 7 HE1 TYR 7 -0.902 -11.246 -8.939 46 HE2 TYR 7 HE2 TYR 7 -0.133 -7.026 -8.604 47 HH TYR 7 HH TYR 7 0.806 -10.118 -10.076 48 H THR 8 H THR 8 -6.765 -10.781 -6.588 49 HA THR 8 HA THR 8 -9.244 -9.287 -6.251 50 HB THR 8 HB THR 8 -9.949 -11.372 -5.122 51 HG1 THR 8 HG1 THR 8 -8.056 -13.077 -5.263 52 1HG2 THR 8 HG21 THR 8 -9.949 -11.248 -7.624 53 2HG2 THR 8 HG22 THR 8 -8.362 -12.043 -7.651 54 3HG2 THR 8 HG23 THR 8 -9.778 -12.894 -7.005 55 H LEU 9 H LEU 9 -10.103 -8.703 -4.155 56 HA LEU 9 HA LEU 9 -8.366 -7.549 -2.319 57 1HB LEU 9 HB2 LEU 9 -11.116 -7.814 -2.637 58 2HB LEU 9 HB3 LEU 9 -10.860 -8.641 -1.128 59 HG LEU 9 HG LEU 9 -9.949 -5.810 -1.803 60 1HD1 LEU 9 HD11 LEU 9 -11.828 -4.978 -0.865 61 2HD1 LEU 9 HD12 LEU 9 -12.524 -6.572 -1.205 62 3HD1 LEU 9 HD13 LEU 9 -11.906 -6.213 0.405 63 1HD2 LEU 9 HD21 LEU 9 -9.469 -5.577 0.630 64 2HD2 LEU 9 HD22 LEU 9 -9.825 -7.300 0.856 65 3HD2 LEU 9 HD23 LEU 9 -8.420 -6.792 -0.111 66 H GLU 10 H GLU 10 -9.684 -10.843 -2.435 67 HA GLU 10 HA GLU 10 -8.681 -11.871 -0.032 68 1HB GLU 10 HB2 GLU 10 -10.213 -13.011 -1.727 69 2HB GLU 10 HB3 GLU 10 -8.765 -13.439 -2.628 70 1HG GLU 10 HG2 GLU 10 -9.352 -15.309 -1.227 71 2HG GLU 10 HG3 GLU 10 -7.875 -14.600 -0.571 72 H GLU 11 H GLU 11 -7.084 -12.219 -3.263 73 HA GLU 11 HA GLU 11 -4.675 -13.253 -2.236 74 1HB GLU 11 HB2 GLU 11 -5.561 -12.063 -4.806 75 2HB GLU 11 HB3 GLU 11 -3.873 -11.744 -4.447 76 1HG GLU 11 HG2 GLU 11 -4.103 -13.849 -5.698 77 2HG GLU 11 HG3 GLU 11 -3.451 -14.144 -4.082 78 H ILE 12 H ILE 12 -5.540 -9.835 -2.836 79 HA ILE 12 HA ILE 12 -3.110 -8.745 -1.937 80 HB ILE 12 HB ILE 12 -5.947 -7.640 -1.726 81 1HG1 ILE 12 HG12 ILE 12 -4.920 -8.363 -4.060 82 2HG1 ILE 12 HG13 ILE 12 -5.766 -6.835 -3.883 83 1HG2 ILE 12 HG21 ILE 12 -4.805 -6.101 -0.421 84 2HG2 ILE 12 HG22 ILE 12 -3.260 -6.349 -1.266 85 3HG2 ILE 12 HG23 ILE 12 -4.538 -5.417 -2.037 86 1HD1 ILE 12 HD11 ILE 12 -3.295 -7.124 -4.987 87 2HD1 ILE 12 HD12 ILE 12 -3.925 -5.647 -4.218 88 3HD1 ILE 12 HD13 ILE 12 -2.825 -6.735 -3.356 89 H GLN 13 H GLN 13 -6.022 -9.669 0.004 90 HA GLN 13 HA GLN 13 -5.007 -8.872 2.531 91 1HB GLN 13 HB2 GLN 13 -7.181 -10.792 1.599 92 2HB GLN 13 HB3 GLN 13 -6.656 -10.718 3.261 93 1HG GLN 13 HG2 GLN 13 -7.028 -8.043 2.739 94 2HG GLN 13 HG3 GLN 13 -8.256 -8.759 1.721 95 1HE2 GLN 13 HE21 GLN 13 -10.167 -9.415 2.733 96 2HE2 GLN 13 HE22 GLN 13 -10.351 -9.518 4.476 97 H LYS 14 H LYS 14 -4.438 -11.859 0.612 98 HA LYS 14 HA LYS 14 -3.284 -13.277 2.813 99 1HB LYS 14 HB2 LYS 14 -2.685 -13.457 -0.167 100 2HB LYS 14 HB3 LYS 14 -2.003 -14.512 1.067 101 1HG LYS 14 HG2 LYS 14 -4.250 -15.209 1.761 102 2HG LYS 14 HG3 LYS 14 -4.987 -14.157 0.549 103 1HD LYS 14 HD2 LYS 14 -4.123 -15.378 -1.284 104 2HD LYS 14 HD3 LYS 14 -2.969 -16.278 -0.304 105 1HE LYS 14 HE2 LYS 14 -5.994 -16.483 0.081 106 2HE LYS 14 HE3 LYS 14 -5.125 -17.495 -1.078 107 1HZ LYS 14 HZ1 LYS 14 -5.449 -18.506 1.132 108 2HZ LYS 14 HZ2 LYS 14 -3.875 -18.449 0.654 109 3HZ LYS 14 HZ3 LYS 14 -4.434 -17.388 1.781 110 H HIS 15 H HIS 15 -2.159 -10.380 1.239 111 HA HIS 15 HA HIS 15 0.615 -10.808 2.245 112 1HB HIS 15 HB2 HIS 15 -0.484 -8.938 0.128 113 2HB HIS 15 HB3 HIS 15 1.163 -8.932 0.722 114 HD1 HIS 15 HD1 HIS 15 2.470 -9.793 -1.367 115 HD2 HIS 15 HD2 HIS 15 -1.049 -11.930 -0.572 116 HE1 HIS 15 HE1 HIS 15 2.397 -11.732 -3.015 117 H ASN 16 H ASN 16 -0.458 -10.441 4.420 118 HA ASN 16 HA ASN 16 0.155 -7.707 5.235 119 1HB ASN 16 HB2 ASN 16 -2.004 -7.202 6.271 120 2HB ASN 16 HB3 ASN 16 -2.142 -7.412 4.533 121 1HD2 ASN 16 HD21 ASN 16 -4.556 -7.644 5.238 122 2HD2 ASN 16 HD22 ASN 16 -5.021 -9.317 5.487 123 H ASN 17 H ASN 17 1.470 -10.081 5.956 124 HA ASN 17 HA ASN 17 1.264 -9.840 8.838 125 1HB ASN 17 HB2 ASN 17 -0.370 -11.891 7.634 126 2HB ASN 17 HB3 ASN 17 0.973 -12.710 8.419 127 1HD2 ASN 17 HD21 ASN 17 -1.438 -10.120 9.043 128 2HD2 ASN 17 HD22 ASN 17 -1.731 -10.614 10.713 129 H SER 18 H SER 18 2.310 -12.525 6.693 130 HA SER 18 HA SER 18 4.562 -13.261 7.868 131 1HB SER 18 HB2 SER 18 4.293 -13.036 4.838 132 2HB SER 18 HB3 SER 18 5.046 -14.335 5.787 133 HG SER 18 HG SER 18 2.870 -14.816 5.067 134 H LYS 19 H LYS 19 4.454 -10.806 5.277 135 HA LYS 19 HA LYS 19 6.056 -8.983 6.536 136 1HB LYS 19 HB2 LYS 19 7.699 -11.003 5.192 137 2HB LYS 19 HB3 LYS 19 7.835 -9.464 4.349 138 1HG LYS 19 HG2 LYS 19 8.249 -8.379 6.654 139 2HG LYS 19 HG3 LYS 19 8.385 -10.026 7.283 140 1HD LYS 19 HD2 LYS 19 10.579 -9.859 6.744 141 2HD LYS 19 HD3 LYS 19 10.048 -10.147 5.080 142 1HE LYS 19 HE2 LYS 19 9.746 -7.524 4.955 143 2HE LYS 19 HE3 LYS 19 10.642 -7.498 6.484 144 1HZ LYS 19 HZ1 LYS 19 12.300 -8.912 5.082 145 2HZ LYS 19 HZ2 LYS 19 11.567 -8.152 3.817 146 3HZ LYS 19 HZ3 LYS 19 12.295 -7.270 4.999 147 H SER 20 H SER 20 5.272 -10.437 3.401 148 HA SER 20 HA SER 20 5.252 -8.449 1.522 149 1HB SER 20 HB2 SER 20 3.323 -9.693 0.622 150 2HB SER 20 HB3 SER 20 4.746 -10.678 0.994 151 HG SER 20 HG SER 20 2.550 -10.271 2.738 152 H THR 21 H THR 21 4.702 -6.364 2.269 153 HA THR 21 HA THR 21 1.994 -5.894 3.438 154 HB THR 21 HB THR 21 4.360 -4.016 3.131 155 HG1 THR 21 HG1 THR 21 4.598 -5.960 4.470 156 1HG2 THR 21 HG21 THR 21 1.959 -3.899 4.939 157 2HG2 THR 21 HG22 THR 21 3.211 -2.683 4.866 158 3HG2 THR 21 HG23 THR 21 2.146 -2.892 3.471 159 H TRP 22 H TRP 22 0.686 -6.206 1.626 160 HA TRP 22 HA TRP 22 1.003 -4.308 -0.671 161 1HB TRP 22 HB2 TRP 22 -0.608 -6.851 -0.276 162 2HB TRP 22 HB3 TRP 22 -0.787 -5.788 -1.655 163 HD1 TRP 22 HD1 TRP 22 2.806 -6.095 -0.813 164 HE1 TRP 22 HE1 TRP 22 3.995 -7.265 -2.624 165 HE3 TRP 22 HE3 TRP 22 -1.265 -8.174 -3.053 166 HZ2 TRP 22 HZ2 TRP 22 3.252 -9.009 -4.939 167 HZ3 TRP 22 HZ3 TRP 22 -1.051 -9.504 -5.087 168 HH2 TRP 22 HH2 TRP 22 1.223 -9.934 -6.076 169 H LEU 23 H LEU 23 -1.359 -3.601 -1.462 170 HA LEU 23 HA LEU 23 -3.496 -3.386 0.330 171 1HB LEU 23 HB2 LEU 23 -3.199 -0.849 0.819 172 2HB LEU 23 HB3 LEU 23 -2.452 -2.032 1.829 173 HG LEU 23 HG LEU 23 -0.275 -1.674 0.387 174 1HD1 LEU 23 HD11 LEU 23 -1.907 0.768 -0.297 175 2HD1 LEU 23 HD12 LEU 23 -0.169 0.608 -0.585 176 3HD1 LEU 23 HD13 LEU 23 -1.310 -0.436 -1.456 177 1HD2 LEU 23 HD21 LEU 23 -1.394 0.444 2.218 178 2HD2 LEU 23 HD22 LEU 23 -0.491 -1.005 2.704 179 3HD2 LEU 23 HD23 LEU 23 0.327 0.251 1.752 180 H ILE 24 H ILE 24 -5.000 -1.552 -0.398 181 HA ILE 24 HA ILE 24 -4.737 -1.171 -3.357 182 HB ILE 24 HB ILE 24 -7.170 -1.777 -1.681 183 1HG1 ILE 24 HG12 ILE 24 -6.273 -3.306 -4.143 184 2HG1 ILE 24 HG13 ILE 24 -5.405 -3.568 -2.652 185 1HG2 ILE 24 HG21 ILE 24 -8.140 -1.836 -4.193 186 2HG2 ILE 24 HG22 ILE 24 -8.129 -0.347 -3.244 187 3HG2 ILE 24 HG23 ILE 24 -6.866 -0.641 -4.462 188 1HD1 ILE 24 HD11 ILE 24 -7.786 -4.843 -3.346 189 2HD1 ILE 24 HD12 ILE 24 -7.003 -4.856 -1.766 190 3HD1 ILE 24 HD13 ILE 24 -8.279 -3.676 -2.106 191 H LEU 25 H LEU 25 -4.338 0.856 -3.803 192 HA LEU 25 HA LEU 25 -5.644 3.117 -2.303 193 1HB LEU 25 HB2 LEU 25 -2.874 2.719 -3.379 194 2HB LEU 25 HB3 LEU 25 -3.599 4.324 -3.366 195 HG LEU 25 HG LEU 25 -3.357 4.701 -1.248 196 1HD1 LEU 25 HD11 LEU 25 -3.702 1.771 -0.729 197 2HD1 LEU 25 HD12 LEU 25 -3.263 2.969 0.529 198 3HD1 LEU 25 HD13 LEU 25 -4.777 3.125 -0.372 199 1HD2 LEU 25 HD21 LEU 25 -1.229 2.584 -1.808 200 2HD2 LEU 25 HD22 LEU 25 -1.160 4.346 -2.029 201 3HD2 LEU 25 HD23 LEU 25 -1.203 3.651 -0.400 202 H HIS 26 H HIS 26 -7.443 3.234 -3.597 203 HA HIS 26 HA HIS 26 -8.682 3.941 -5.351 204 1HB HIS 26 HB2 HIS 26 -6.160 4.914 -6.738 205 2HB HIS 26 HB3 HIS 26 -7.823 5.422 -7.010 206 HD1 HIS 26 HD1 HIS 26 -8.847 7.152 -5.180 207 HD2 HIS 26 HD2 HIS 26 -4.882 5.877 -4.599 208 HE1 HIS 26 HE1 HIS 26 -7.858 8.666 -3.402 209 H TYR 27 H TYR 27 -8.367 1.357 -5.333 210 HA TYR 27 HA TYR 27 -8.502 -0.541 -6.548 211 1HB TYR 27 HB2 TYR 27 -8.756 1.191 -9.022 212 2HB TYR 27 HB3 TYR 27 -9.416 -0.407 -8.772 213 HD1 TYR 27 HD1 TYR 27 -10.727 -0.116 -6.068 214 HD2 TYR 27 HD2 TYR 27 -10.621 2.547 -9.461 215 HE1 TYR 27 HE1 TYR 27 -13.015 0.620 -5.555 216 HE2 TYR 27 HE2 TYR 27 -12.856 3.414 -8.830 217 HH TYR 27 HH TYR 27 -14.815 1.886 -6.278 218 H LYS 28 H LYS 28 -5.787 0.937 -6.337 219 HA LYS 28 HA LYS 28 -4.336 -0.545 -8.486 220 1HB LYS 28 HB2 LYS 28 -3.807 2.153 -7.247 221 2HB LYS 28 HB3 LYS 28 -2.630 1.273 -8.202 222 1HG LYS 28 HG2 LYS 28 -5.223 1.509 -9.590 223 2HG LYS 28 HG3 LYS 28 -4.646 3.084 -9.040 224 1HD LYS 28 HD2 LYS 28 -2.400 2.571 -10.095 225 2HD LYS 28 HD3 LYS 28 -3.092 1.067 -10.719 226 1HE LYS 28 HE2 LYS 28 -4.944 2.664 -11.753 227 2HE LYS 28 HE3 LYS 28 -3.746 3.937 -11.476 228 1HZ LYS 28 HZ1 LYS 28 -2.215 2.423 -12.816 229 2HZ LYS 28 HZ2 LYS 28 -3.514 1.513 -13.139 230 3HZ LYS 28 HZ3 LYS 28 -3.486 3.056 -13.678 231 H VAL 29 H VAL 29 -2.862 -2.009 -7.742 232 HA VAL 29 HA VAL 29 -2.575 -2.311 -4.852 233 HB VAL 29 HB VAL 29 -1.648 -4.091 -7.119 234 1HG1 VAL 29 HG11 VAL 29 -0.542 -4.373 -4.908 235 2HG1 VAL 29 HG12 VAL 29 -2.095 -4.506 -4.125 236 3HG1 VAL 29 HG13 VAL 29 -1.561 -5.750 -5.298 237 1HG2 VAL 29 HG21 VAL 29 -4.299 -3.934 -5.648 238 2HG2 VAL 29 HG22 VAL 29 -4.010 -3.858 -7.395 239 3HG2 VAL 29 HG23 VAL 29 -3.756 -5.370 -6.542 240 H TYR 30 H TYR 30 -0.697 -1.879 -3.814 241 HA TYR 30 HA TYR 30 1.759 -1.169 -5.379 242 1HB TYR 30 HB2 TYR 30 0.617 0.050 -2.846 243 2HB TYR 30 HB3 TYR 30 2.181 0.452 -3.548 244 HD1 TYR 30 HD1 TYR 30 2.300 1.580 -5.738 245 HD2 TYR 30 HD2 TYR 30 -1.489 0.776 -3.914 246 HE1 TYR 30 HE1 TYR 30 1.190 3.158 -7.332 247 HE2 TYR 30 HE2 TYR 30 -2.578 2.332 -5.500 248 HH TYR 30 HH TYR 30 -0.703 4.166 -7.924 249 H ASP 31 H ASP 31 3.467 -2.465 -4.888 250 HA ASP 31 HA ASP 31 3.440 -4.008 -2.316 251 1HB ASP 31 HB2 ASP 31 4.056 -5.374 -4.234 252 2HB ASP 31 HB3 ASP 31 5.314 -4.205 -4.696 253 H LEU 32 H LEU 32 4.188 -2.736 -0.680 254 HA LEU 32 HA LEU 32 6.664 -1.157 -1.185 255 1HB LEU 32 HB2 LEU 32 4.628 -0.569 0.936 256 2HB LEU 32 HB3 LEU 32 5.946 0.440 0.460 257 HG LEU 32 HG LEU 32 4.342 -0.023 -1.921 258 1HD1 LEU 32 HD11 LEU 32 2.735 1.264 0.293 259 2HD1 LEU 32 HD12 LEU 32 2.217 0.785 -1.324 260 3HD1 LEU 32 HD13 LEU 32 2.560 -0.457 -0.129 261 1HD2 LEU 32 HD21 LEU 32 4.467 2.290 -2.132 262 2HD2 LEU 32 HD22 LEU 32 4.767 2.529 -0.382 263 3HD2 LEU 32 HD23 LEU 32 5.989 1.763 -1.418 264 H THR 33 H THR 33 6.114 -4.031 -0.444 265 HA THR 33 HA THR 33 6.401 -4.344 2.344 266 HB THR 33 HB THR 33 5.703 -6.044 0.525 267 HG1 THR 33 HG1 THR 33 7.422 -6.535 2.734 268 1HG2 THR 33 HG21 THR 33 7.825 -5.972 -0.809 269 2HG2 THR 33 HG22 THR 33 8.666 -6.760 0.544 270 3HG2 THR 33 HG23 THR 33 7.333 -7.583 -0.284 271 H LYS 34 H LYS 34 8.730 -3.812 -0.181 272 HA LYS 34 HA LYS 34 10.955 -4.067 1.764 273 1HB LYS 34 HB2 LYS 34 10.697 -5.104 -0.762 274 2HB LYS 34 HB3 LYS 34 11.484 -3.587 -1.163 275 1HG LYS 34 HG2 LYS 34 12.740 -4.974 1.155 276 2HG LYS 34 HG3 LYS 34 12.634 -6.008 -0.266 277 1HD LYS 34 HD2 LYS 34 13.916 -4.522 -1.593 278 2HD LYS 34 HD3 LYS 34 13.753 -3.182 -0.431 279 1HE LYS 34 HE2 LYS 34 15.081 -4.380 1.247 280 2HE LYS 34 HE3 LYS 34 15.142 -5.828 0.223 281 1HZ LYS 34 HZ1 LYS 34 17.156 -4.745 -0.036 282 2HZ LYS 34 HZ2 LYS 34 16.333 -4.375 -1.410 283 3HZ LYS 34 HZ3 LYS 34 16.484 -3.253 -0.211 284 H PHE 35 H PHE 35 8.894 -1.878 1.637 285 HA PHE 35 HA PHE 35 10.835 0.347 1.587 286 1HB PHE 35 HB2 PHE 35 8.903 0.109 -0.307 287 2HB PHE 35 HB3 PHE 35 7.966 0.807 0.963 288 HD1 PHE 35 HD1 PHE 35 7.582 3.099 0.630 289 HD2 PHE 35 HD2 PHE 35 11.492 1.475 -0.249 290 HE1 PHE 35 HE1 PHE 35 8.402 5.361 0.030 291 HE2 PHE 35 HE2 PHE 35 12.299 3.730 -0.816 292 HZ PHE 35 HZ PHE 35 10.764 5.681 -0.691 293 H LEU 36 H LEU 36 9.336 -1.541 3.679 294 HA LEU 36 HA LEU 36 7.603 0.214 5.087 295 1HB LEU 36 HB2 LEU 36 9.166 -2.235 6.033 296 2HB LEU 36 HB3 LEU 36 7.864 -1.470 6.954 297 HG LEU 36 HG LEU 36 7.474 -2.556 4.130 298 1HD1 LEU 36 HD11 LEU 36 6.314 -4.417 5.464 299 2HD1 LEU 36 HD12 LEU 36 8.074 -4.477 5.357 300 3HD1 LEU 36 HD13 LEU 36 7.296 -3.889 6.845 301 1HD2 LEU 36 HD21 LEU 36 5.804 -0.831 5.286 302 2HD2 LEU 36 HD22 LEU 36 5.259 -2.243 4.403 303 3HD2 LEU 36 HD23 LEU 36 5.299 -2.263 6.189 304 H GLU 37 H GLU 37 10.816 -0.875 6.211 305 HA GLU 37 HA GLU 37 11.196 1.152 8.144 306 1HB GLU 37 HB2 GLU 37 12.928 -0.805 6.642 307 2HB GLU 37 HB3 GLU 37 13.730 0.504 7.515 308 1HG GLU 37 HG2 GLU 37 12.803 -0.144 9.603 309 2HG GLU 37 HG3 GLU 37 11.638 -1.246 8.864 310 H GLU 38 H GLU 38 11.606 1.189 4.648 311 HA GLU 38 HA GLU 38 13.158 3.613 4.502 312 1HB GLU 38 HB2 GLU 38 11.400 2.253 2.470 313 2HB GLU 38 HB3 GLU 38 12.585 3.484 2.103 314 1HG GLU 38 HG2 GLU 38 13.746 1.151 3.575 315 2HG GLU 38 HG3 GLU 38 13.077 0.764 1.986 316 H HIS 39 HN HIS 39 9.632 2.873 4.417 317 HA HIS 39 HA HIS 39 8.792 5.276 3.289 318 1HB HIS 39 HB2 HIS 39 7.300 3.418 3.388 319 2HB HIS 39 HB3 HIS 39 7.384 3.367 5.150 320 HD1 HIS 39 HND HIS 39 5.676 4.721 6.445 321 HD2 HIS 39 HD HIS 39 5.786 5.556 2.331 322 HE1 HIS 39 HE HIS 39 3.613 6.120 5.937 323 HA PRO 40 HA PRO 40 9.957 7.942 6.606 324 1HB PRO 40 HB2 PRO 40 8.851 10.330 5.833 325 2HB PRO 40 HB3 PRO 40 10.224 9.557 4.985 326 1HG PRO 40 HG2 PRO 40 7.290 9.369 4.301 327 2HG PRO 40 HG3 PRO 40 8.630 9.796 3.189 328 1HD PRO 40 HD2 PRO 40 7.639 7.289 3.309 329 2HD PRO 40 HD3 PRO 40 9.406 7.536 3.168 330 H GLY 41 H GLY 41 6.525 7.463 5.909 331 1HA GLY 41 HA1 GLY 41 5.498 8.911 8.184 332 2HA GLY 41 HA2 GLY 41 4.642 7.724 7.220 333 H GLY 42 H GLY 42 4.455 5.586 7.962 334 1HA GLY 42 HA1 GLY 42 6.133 4.707 10.226 335 2HA GLY 42 HA2 GLY 42 4.387 4.807 10.486 336 H GLU 43 H GLU 43 6.686 2.636 9.914 337 HA GLU 43 HA GLU 43 5.679 0.996 7.811 338 1HB GLU 43 HB2 GLU 43 7.047 -0.734 8.921 339 2HB GLU 43 HB3 GLU 43 7.916 0.805 8.823 340 1HG GLU 43 HG2 GLU 43 7.019 1.169 11.304 341 2HG GLU 43 HG3 GLU 43 6.721 -0.579 11.243 342 H ALA 44 H ALA 44 4.925 1.266 11.287 343 HA ALA 44 HA ALA 44 3.322 -1.008 11.537 344 1HB ALA 44 HB1 ALA 44 2.614 -0.168 13.594 345 2HB ALA 44 HB2 ALA 44 4.170 0.652 13.369 346 3HB ALA 44 HB3 ALA 44 2.651 1.524 13.069 347 H VAL 45 H VAL 45 2.247 2.377 10.903 348 HA VAL 45 HA VAL 45 -0.436 1.680 10.310 349 HB VAL 45 HB VAL 45 0.159 3.911 10.887 350 1HG1 VAL 45 HG11 VAL 45 1.519 4.197 8.175 351 2HG1 VAL 45 HG12 VAL 45 1.251 5.469 9.385 352 3HG1 VAL 45 HG13 VAL 45 2.328 4.129 9.764 353 1HG2 VAL 45 HG21 VAL 45 -1.219 5.111 9.299 354 2HG2 VAL 45 HG22 VAL 45 -0.969 3.853 8.076 355 3HG2 VAL 45 HG23 VAL 45 -1.892 3.492 9.547 356 H LEU 46 H LEU 46 2.502 1.879 8.023 357 HA LEU 46 HA LEU 46 0.897 1.148 5.828 358 1HB LEU 46 HB2 LEU 46 3.681 1.428 6.401 359 2HB LEU 46 HB3 LEU 46 3.509 -0.186 5.755 360 HG LEU 46 HG LEU 46 1.982 1.847 4.199 361 1HD1 LEU 46 HD11 LEU 46 3.743 3.259 4.986 362 2HD1 LEU 46 HD12 LEU 46 4.981 2.151 4.338 363 3HD1 LEU 46 HD13 LEU 46 3.854 2.991 3.239 364 1HD2 LEU 46 HD21 LEU 46 4.159 -0.154 3.462 365 2HD2 LEU 46 HD22 LEU 46 2.400 -0.430 3.365 366 3HD2 LEU 46 HD23 LEU 46 3.173 0.792 2.341 367 H ARG 47 H ARG 47 2.160 -0.940 8.395 368 HA ARG 47 HA ARG 47 1.549 -3.416 7.060 369 1HB ARG 47 HB2 ARG 47 3.298 -3.001 8.880 370 2HB ARG 47 HB3 ARG 47 1.952 -2.967 10.015 371 1HG ARG 47 HG2 ARG 47 2.550 -5.181 10.159 372 2HG ARG 47 HG3 ARG 47 1.295 -5.303 8.940 373 1HD ARG 47 HD2 ARG 47 2.757 -6.253 7.515 374 2HD ARG 47 HD3 ARG 47 3.712 -4.766 7.513 375 HE ARG 47 HE ARG 47 4.144 -6.496 9.844 376 1HH1 ARG 47 HH11 ARG 47 7.376 -7.411 8.830 377 2HH1 ARG 47 HH12 ARG 47 6.242 -7.371 10.134 378 1HH2 ARG 47 HH21 ARG 47 6.695 -6.556 6.671 379 2HH2 ARG 47 HH22 ARG 47 5.079 -5.985 6.479 380 H ALA 48 H ALA 48 -0.103 -1.368 9.440 381 HA ALA 48 HA ALA 48 -2.220 -3.214 10.080 382 1HB ALA 48 HB1 ALA 48 -1.624 -0.300 10.530 383 2HB ALA 48 HB2 ALA 48 -3.286 -0.871 10.784 384 3HB ALA 48 HB3 ALA 48 -1.947 -1.592 11.703 385 H GLN 49 H GLN 49 -2.063 -0.335 7.886 386 HA GLN 49 HA GLN 49 -4.691 -0.846 6.807 387 1HB GLN 49 HB2 GLN 49 -2.369 1.022 6.288 388 2HB GLN 49 HB3 GLN 49 -3.597 0.830 5.067 389 1HG GLN 49 HG2 GLN 49 -4.158 2.705 6.448 390 2HG GLN 49 HG3 GLN 49 -5.376 1.425 6.595 391 1HE2 GLN 49 HE21 GLN 49 -6.024 2.785 8.552 392 2HE2 GLN 49 HE22 GLN 49 -5.170 2.410 10.036 393 H ALA 50 H ALA 50 -1.603 -2.306 6.238 394 HA ALA 50 HA ALA 50 -1.902 -2.952 3.564 395 1HB ALA 50 HB1 ALA 50 -0.608 -5.196 4.687 396 2HB ALA 50 HB2 ALA 50 0.066 -3.772 3.885 397 3HB ALA 50 HB3 ALA 50 -0.143 -3.787 5.646 398 H GLY 51 H GLY 51 -2.347 -4.917 2.513 399 1HA GLY 51 HA1 GLY 51 -3.952 -6.311 1.711 400 2HA GLY 51 HA2 GLY 51 -3.841 -7.117 3.273 401 H GLY 52 H GLY 52 -5.163 -4.005 1.941 402 1HA GLY 52 HA1 GLY 52 -7.870 -4.651 2.459 403 2HA GLY 52 HA2 GLY 52 -7.211 -3.740 3.839 404 H ASP 53 H ASP 53 -9.180 -2.560 2.548 405 HA ASP 53 HA ASP 53 -8.380 -0.667 0.529 406 1HB ASP 53 HB2 ASP 53 -10.739 -1.063 2.361 407 2HB ASP 53 HB3 ASP 53 -10.423 0.575 1.790 408 H ALA 54 H ALA 54 -6.593 0.475 0.981 409 HA ALA 54 HA ALA 54 -6.530 2.031 3.557 410 1HB ALA 54 HB1 ALA 54 -4.639 0.521 3.213 411 2HB ALA 54 HB2 ALA 54 -4.260 1.324 1.690 412 3HB ALA 54 HB3 ALA 54 -4.173 2.255 3.212 413 H THR 55 H THR 55 -7.792 2.379 0.594 414 HA THR 55 HA THR 55 -6.434 4.601 -0.534 415 HB THR 55 HB THR 55 -9.386 3.860 -0.753 416 HG1 THR 55 HG1 THR 55 -7.527 2.250 -1.336 417 1HG2 THR 55 HG21 THR 55 -7.448 5.339 -2.577 418 2HG2 THR 55 HG22 THR 55 -9.116 4.905 -3.016 419 3HG2 THR 55 HG23 THR 55 -8.812 6.092 -1.730 420 H ALA 56 H ALA 56 -9.353 4.537 1.554 421 HA ALA 56 HA ALA 56 -9.580 7.337 1.896 422 1HB ALA 56 HB1 ALA 56 -10.402 5.046 3.732 423 2HB ALA 56 HB2 ALA 56 -10.899 6.741 3.927 424 3HB ALA 56 HB3 ALA 56 -11.392 5.836 2.483 425 H ASN 57 H ASN 57 -7.825 4.912 3.868 426 HA ASN 57 HA ASN 57 -6.974 6.648 5.939 427 1HB ASN 57 HB2 ASN 57 -5.691 4.103 4.831 428 2HB ASN 57 HB3 ASN 57 -5.197 4.940 6.304 429 1HD2 ASN 57 HD21 ASN 57 -7.895 2.977 4.877 430 2HD2 ASN 57 HD22 ASN 57 -8.588 2.653 6.437 431 H PHE 58 H PHE 58 -5.291 5.584 2.985 432 HA PHE 58 HA PHE 58 -2.885 7.020 3.173 433 1HB PHE 58 HB2 PHE 58 -3.325 5.280 1.530 434 2HB PHE 58 HB3 PHE 58 -4.582 6.235 0.767 435 HD1 PHE 58 HD1 PHE 58 -1.007 5.636 0.979 436 HD2 PHE 58 HD2 PHE 58 -4.019 8.300 -0.580 437 HE1 PHE 58 HE1 PHE 58 0.644 6.609 -0.604 438 HE2 PHE 58 HE2 PHE 58 -2.400 9.226 -2.157 439 HZ PHE 58 HZ PHE 58 -0.054 8.359 -2.213 440 H GLU 59 H GLU 59 -5.935 7.967 1.509 441 HA GLU 59 HA GLU 59 -5.087 10.563 0.766 442 1HB GLU 59 HB2 GLU 59 -7.813 9.327 1.282 443 2HB GLU 59 HB3 GLU 59 -7.615 10.935 0.573 444 1HG GLU 59 HG2 GLU 59 -6.306 8.487 -0.697 445 2HG GLU 59 HG3 GLU 59 -7.969 8.960 -1.030 446 H ALA 60 H ALA 60 -6.772 9.376 3.689 447 HA ALA 60 HA ALA 60 -7.478 11.821 4.853 448 1HB ALA 60 HB1 ALA 60 -6.570 9.317 6.351 449 2HB ALA 60 HB2 ALA 60 -7.608 10.617 6.954 450 3HB ALA 60 HB3 ALA 60 -8.189 9.543 5.668 451 H VAL 61 H VAL 61 -4.451 9.936 5.181 452 HA VAL 61 HA VAL 61 -3.082 11.930 6.784 453 HB VAL 61 HB VAL 61 -2.091 9.641 5.041 454 1HG1 VAL 61 HG11 VAL 61 -0.564 11.832 6.255 455 2HG1 VAL 61 HG12 VAL 61 -0.167 10.299 7.001 456 3HG1 VAL 61 HG13 VAL 61 -0.012 10.483 5.244 457 1HG2 VAL 61 HG21 VAL 61 -2.295 9.915 8.073 458 2HG2 VAL 61 HG22 VAL 61 -3.456 9.026 7.071 459 3HG2 VAL 61 HG23 VAL 61 -1.780 8.482 7.158 460 H GLY 62 H GLY 62 -3.013 11.118 3.273 461 1HA GLY 62 HA1 GLY 62 -2.885 12.653 1.513 462 2HA GLY 62 HA2 GLY 62 -2.392 13.954 2.608 463 H HIS 63 HN HIS 63 -1.022 13.528 0.229 464 HA HIS 63 HA HIS 63 1.665 12.602 0.929 465 1HB HIS 63 HB2 HIS 63 -0.332 11.085 -0.807 466 2HB HIS 63 HB3 HIS 63 1.384 10.947 -1.097 467 HD1 HIS 63 HND HIS 63 -1.241 9.478 1.161 468 HD2 HIS 63 HD HIS 63 2.916 9.911 0.889 469 HE1 HIS 63 HE HIS 63 -0.256 7.743 2.718 470 H SER 64 H SER 64 3.120 13.709 -0.368 471 HA SER 64 HA SER 64 2.137 15.793 -2.095 472 1HB SER 64 HB2 SER 64 4.776 14.932 -0.975 473 2HB SER 64 HB3 SER 64 4.872 15.806 -2.492 474 HG SER 64 HG SER 64 3.632 17.474 -1.563 475 H THR 65 H THR 65 3.502 16.242 -4.235 476 HA THR 65 HA THR 65 2.550 14.528 -6.247 477 HB THR 65 HB THR 65 4.255 15.878 -7.626 478 HG1 THR 65 HG1 THR 65 5.724 16.639 -6.235 479 1HG2 THR 65 HG21 THR 65 1.818 16.515 -7.249 480 2HG2 THR 65 HG22 THR 65 2.357 17.521 -5.888 481 3HG2 THR 65 HG23 THR 65 2.913 17.879 -7.533 482 H ASP 66 H ASP 66 5.830 14.814 -4.832 483 HA ASP 66 HA ASP 66 6.997 12.745 -6.353 484 1HB ASP 66 HB2 ASP 66 7.657 14.343 -3.942 485 2HB ASP 66 HB3 ASP 66 8.148 12.668 -3.757 486 H ALA 67 H ALA 67 4.967 12.587 -3.428 487 HA ALA 67 HA ALA 67 5.489 9.799 -2.948 488 1HB ALA 67 HB1 ALA 67 4.735 11.289 -1.167 489 2HB ALA 67 HB2 ALA 67 3.223 11.573 -2.024 490 3HB ALA 67 HB3 ALA 67 3.589 9.950 -1.405 491 H ARG 68 H ARG 68 2.724 11.512 -4.621 492 HA ARG 68 HA ARG 68 1.359 9.045 -5.206 493 1HB ARG 68 HB2 ARG 68 0.020 10.345 -6.744 494 2HB ARG 68 HB3 ARG 68 0.219 11.213 -5.208 495 1HG ARG 68 HG2 ARG 68 1.914 12.572 -6.132 496 2HG ARG 68 HG3 ARG 68 1.911 11.756 -7.698 497 1HD ARG 68 HD2 ARG 68 -0.440 13.258 -6.508 498 2HD ARG 68 HD3 ARG 68 0.730 14.018 -7.577 499 HE ARG 68 HE ARG 68 -1.466 12.344 -8.348 500 1HH1 ARG 68 HH11 ARG 68 -0.497 12.152 -11.731 501 2HH1 ARG 68 HH12 ARG 68 -1.807 11.972 -10.606 502 1HH2 ARG 68 HH21 ARG 68 1.653 12.788 -10.959 503 2HH2 ARG 68 HH22 ARG 68 1.860 13.120 -9.276 504 H GLU 69 H GLU 69 4.070 10.672 -6.692 505 HA GLU 69 HA GLU 69 3.926 9.143 -9.204 506 1HB GLU 69 HB2 GLU 69 5.740 11.169 -7.989 507 2HB GLU 69 HB3 GLU 69 6.269 10.261 -9.411 508 1HG GLU 69 HG2 GLU 69 3.536 11.546 -9.462 509 2HG GLU 69 HG3 GLU 69 4.964 12.574 -9.670 510 H LEU 70 H LEU 70 5.815 9.128 -6.162 511 HA LEU 70 HA LEU 70 7.526 7.033 -6.836 512 1HB LEU 70 HB2 LEU 70 7.763 8.528 -4.899 513 2HB LEU 70 HB3 LEU 70 6.347 7.780 -4.169 514 HG LEU 70 HG LEU 70 7.517 6.188 -3.194 515 1HD1 LEU 70 HD11 LEU 70 9.325 4.849 -4.348 516 2HD1 LEU 70 HD12 LEU 70 7.667 4.790 -4.954 517 3HD1 LEU 70 HD13 LEU 70 8.909 5.739 -5.823 518 1HD2 LEU 70 HD21 LEU 70 9.894 6.547 -2.826 519 2HD2 LEU 70 HD22 LEU 70 9.952 7.698 -4.176 520 3HD2 LEU 70 HD23 LEU 70 8.994 8.071 -2.719 521 H SER 71 H SER 71 4.397 6.939 -5.110 522 HA SER 71 HA SER 71 3.962 4.229 -4.843 523 1HB SER 71 HB2 SER 71 1.633 4.627 -4.898 524 2HB SER 71 HB3 SER 71 2.421 6.045 -4.154 525 HG SER 71 HG SER 71 0.856 6.693 -5.640 526 H LYS 72 H LYS 72 3.296 6.053 -7.896 527 HA LYS 72 HA LYS 72 2.475 3.899 -9.480 528 1HB LYS 72 HB2 LYS 72 4.089 6.332 -10.260 529 2HB LYS 72 HB3 LYS 72 3.468 5.171 -11.402 530 1HG LYS 72 HG2 LYS 72 1.391 6.123 -9.486 531 2HG LYS 72 HG3 LYS 72 2.149 7.423 -10.415 532 1HD LYS 72 HD2 LYS 72 1.803 6.172 -12.515 533 2HD LYS 72 HD3 LYS 72 0.954 4.888 -11.656 534 1HE LYS 72 HE2 LYS 72 0.053 7.830 -11.655 535 2HE LYS 72 HE3 LYS 72 -0.382 6.699 -12.940 536 1HZ LYS 72 HZ1 LYS 72 -2.132 6.571 -11.535 537 2HZ LYS 72 HZ2 LYS 72 -1.249 5.271 -11.049 538 3HZ LYS 72 HZ3 LYS 72 -1.244 6.652 -10.153 539 H THR 73 H THR 73 5.828 4.781 -8.631 540 HA THR 73 HA THR 73 7.093 2.811 -10.341 541 HB THR 73 HB THR 73 8.006 4.683 -8.150 542 HG1 THR 73 HG1 THR 73 9.162 5.482 -9.893 543 1HG2 THR 73 HG21 THR 73 10.320 3.987 -8.492 544 2HG2 THR 73 HG22 THR 73 9.367 2.743 -7.684 545 3HG2 THR 73 HG23 THR 73 9.767 2.570 -9.412 546 H PHE 74 H PHE 74 5.290 2.475 -7.459 547 HA PHE 74 HA PHE 74 6.523 -0.180 -6.851 548 1HB PHE 74 HB2 PHE 74 4.986 1.795 -5.113 549 2HB PHE 74 HB3 PHE 74 5.188 0.108 -4.676 550 HD1 PHE 74 HD1 PHE 74 6.424 3.137 -3.787 551 HD2 PHE 74 HD2 PHE 74 7.726 -0.799 -4.962 552 HE1 PHE 74 HE1 PHE 74 8.547 3.450 -2.538 553 HE2 PHE 74 HE2 PHE 74 9.883 -0.434 -3.808 554 HZ PHE 74 HZ PHE 74 10.290 1.688 -2.595 555 H ILE 75 H ILE 75 4.162 1.182 -8.709 556 HA ILE 75 HA ILE 75 1.902 -0.307 -7.772 557 HB ILE 75 HB ILE 75 2.198 1.735 -9.458 558 1HG1 ILE 75 HG12 ILE 75 0.159 0.997 -8.333 559 2HG1 ILE 75 HG13 ILE 75 -0.072 1.668 -9.946 560 1HG2 ILE 75 HG21 ILE 75 1.633 1.146 -11.766 561 2HG2 ILE 75 HG22 ILE 75 3.199 0.452 -11.316 562 3HG2 ILE 75 HG23 ILE 75 1.762 -0.582 -11.388 563 1HD1 ILE 75 HD11 ILE 75 -1.434 -0.327 -9.387 564 2HD1 ILE 75 HD12 ILE 75 -0.466 -0.514 -10.869 565 3HD1 ILE 75 HD13 ILE 75 0.072 -1.265 -9.347 566 H ILE 76 H ILE 76 1.422 -2.425 -8.036 567 HA ILE 76 HA ILE 76 3.248 -4.074 -9.782 568 HB ILE 76 HB ILE 76 2.496 -5.948 -8.314 569 1HG1 ILE 76 HG12 ILE 76 1.699 -3.757 -6.339 570 2HG1 ILE 76 HG13 ILE 76 0.515 -4.574 -7.356 571 1HG2 ILE 76 HG21 ILE 76 4.184 -5.458 -6.628 572 2HG2 ILE 76 HG22 ILE 76 4.716 -4.760 -8.156 573 3HG2 ILE 76 HG23 ILE 76 4.026 -3.713 -6.903 574 1HD1 ILE 76 HD11 ILE 76 0.510 -6.400 -6.120 575 2HD1 ILE 76 HD12 ILE 76 2.280 -6.475 -5.993 576 3HD1 ILE 76 HD13 ILE 76 1.365 -5.430 -4.893 577 H GLY 77 H GLY 77 -0.175 -3.282 -9.122 578 1HA GLY 77 HA1 GLY 77 -1.017 -4.060 -11.680 579 2HA GLY 77 HA2 GLY 77 -1.385 -5.391 -10.546 580 H GLU 78 H GLU 78 -3.593 -4.642 -11.204 581 HA GLU 78 HA GLU 78 -4.580 -2.404 -9.534 582 1HB GLU 78 HB2 GLU 78 -4.798 -2.812 -12.429 583 2HB GLU 78 HB3 GLU 78 -6.384 -2.748 -11.690 584 1HG GLU 78 HG2 GLU 78 -6.254 -0.552 -11.188 585 2HG GLU 78 HG3 GLU 78 -4.545 -0.632 -10.747 586 H LEU 79 H LEU 79 -6.894 -2.570 -9.203 587 HA LEU 79 HA LEU 79 -7.301 -4.962 -7.616 588 1HB LEU 79 HB2 LEU 79 -8.006 -2.783 -6.800 589 2HB LEU 79 HB3 LEU 79 -8.970 -2.539 -8.267 590 HG LEU 79 HG LEU 79 -10.273 -4.694 -7.457 591 1HD1 LEU 79 HD11 LEU 79 -9.291 -3.715 -4.768 592 2HD1 LEU 79 HD12 LEU 79 -10.243 -5.157 -5.122 593 3HD1 LEU 79 HD13 LEU 79 -8.549 -5.098 -5.602 594 1HD2 LEU 79 HD21 LEU 79 -11.933 -3.375 -6.764 595 2HD2 LEU 79 HD22 LEU 79 -10.905 -2.357 -5.739 596 3HD2 LEU 79 HD23 LEU 79 -10.945 -2.138 -7.507 597 H HIS 80 H HIS 80 -8.469 -6.730 -8.129 598 HA HIS 80 HA HIS 80 -9.220 -7.384 -10.735 599 1HB HIS 80 HB2 HIS 80 -8.884 -8.810 -8.594 600 2HB HIS 80 HB3 HIS 80 -10.611 -8.589 -8.330 601 HD1 HIS 80 HD1 HIS 80 -12.101 -10.183 -9.906 602 HD2 HIS 80 HD2 HIS 80 -7.980 -10.164 -10.710 603 HE1 HIS 80 HE1 HIS 80 -11.714 -11.989 -11.611 604 HA PRO 81 HA PRO 81 -13.056 -5.178 -11.221 605 1HB PRO 81 HB2 PRO 81 -14.098 -6.461 -13.414 606 2HB PRO 81 HB3 PRO 81 -12.742 -5.301 -13.476 607 1HG PRO 81 HG2 PRO 81 -12.600 -8.325 -13.442 608 2HG PRO 81 HG3 PRO 81 -11.681 -7.191 -14.479 609 1HD PRO 81 HD2 PRO 81 -10.668 -8.330 -12.237 610 2HD PRO 81 HD3 PRO 81 -10.193 -6.685 -12.749 611 H ASP 82 H ASP 82 -12.815 -8.411 -10.165 612 HA ASP 82 HA ASP 82 -15.682 -8.936 -9.923 613 1HB ASP 82 HB2 ASP 82 -13.938 -10.729 -10.122 614 2HB ASP 82 HB3 ASP 82 -13.329 -10.240 -8.495 615 H ASP 83 H ASP 83 -13.168 -7.289 -8.101 616 HA ASP 83 HA ASP 83 -14.514 -7.323 -5.521 617 1HB ASP 83 HB2 ASP 83 -12.115 -7.075 -5.627 618 2HB ASP 83 HB3 ASP 83 -12.272 -5.642 -6.659 619 H ARG 84 H ARG 84 -14.076 -4.937 -8.087 620 HA ARG 84 HA ARG 84 -15.516 -2.773 -6.976 621 1HB ARG 84 HB2 ARG 84 -14.557 -3.596 -9.689 622 2HB ARG 84 HB3 ARG 84 -15.848 -2.400 -9.665 623 1HG ARG 84 HG2 ARG 84 -14.615 -0.842 -8.393 624 2HG ARG 84 HG3 ARG 84 -13.340 -2.002 -8.000 625 1HD ARG 84 HD2 ARG 84 -14.067 -1.110 -10.810 626 2HD ARG 84 HD3 ARG 84 -12.768 -0.357 -9.860 627 HE ARG 84 HE ARG 84 -12.048 -2.971 -9.735 628 1HH1 ARG 84 HH11 ARG 84 -10.549 -3.576 -12.863 629 2HH1 ARG 84 HH12 ARG 84 -10.415 -3.873 -11.166 630 1HH2 ARG 84 HH21 ARG 84 -11.966 -1.859 -13.652 631 2HH2 ARG 84 HH22 ARG 84 -13.013 -1.049 -12.529 632 HHA HEM 201 HGM HEM 201 4.730 11.007 4.992 633 HHB HEM 201 HDM HEM 201 5.777 7.923 -0.589 634 HHC HEM 201 HAM HEM 201 1.056 3.793 0.847 635 HHD HEM 201 HBM HEM 201 0.330 6.620 6.619 636 1HMA HEM 201 HM81 HEM 201 6.667 10.009 -0.706 637 2HMA HEM 201 HM82 HEM 201 7.212 11.342 0.293 638 3HMA HEM 201 HM83 HEM 201 7.977 9.749 0.459 639 1HAA HEM 201 HAA1 HEM 201 6.720 11.883 3.832 640 2HAA HEM 201 HAA2 HEM 201 6.852 12.382 2.158 641 1HBA HEM 201 HBA1 HEM 201 5.184 13.555 3.958 642 2HBA HEM 201 HBA2 HEM 201 4.051 12.414 3.226 643 1HMB HEM 201 HM11 HEM 201 4.832 6.687 -2.696 644 2HMB HEM 201 HM12 HEM 201 5.953 5.607 -1.820 645 3HMB HEM 201 HM13 HEM 201 4.626 4.924 -2.761 646 HAB HEM 201 HT2A HEM 201 2.488 2.941 -1.315 647 1HBB HEM 201 HV2C HEM 201 1.084 5.352 -2.467 648 2HBB HEM 201 HV2T HEM 201 0.843 3.541 -2.858 649 1HMC HEM 201 HM31 HEM 201 -1.233 2.528 3.622 650 2HMC HEM 201 HM32 HEM 201 -1.727 3.548 2.259 651 3HMC HEM 201 HM33 HEM 201 -0.290 2.511 2.127 652 HAC HEM 201 HT4A HEM 201 -1.440 3.604 5.858 653 1HBC HEM 201 HV4C HEM 201 -2.082 6.577 5.429 654 2HBC HEM 201 HV4T HEM 201 -2.961 5.368 6.541 655 1HMD HEM 201 HM51 HEM 201 1.912 7.776 8.829 656 2HMD HEM 201 HM52 HEM 201 1.413 9.474 8.861 657 3HMD HEM 201 HM53 HEM 201 0.321 8.261 8.206 658 1HAD HEM 201 HAD1 HEM 201 3.721 10.162 8.474 659 2HAD HEM 201 HAD2 HEM 201 4.437 11.114 7.197 660 1HBD HEM 201 HBD1 HEM 201 2.963 12.792 7.501 661 2HBD HEM 201 HBD2 HEM 201 1.584 11.695 7.527 Start of MODEL 21 1 1H ALA 3 H1 ALA 3 3.679 -4.209 -18.452 2 2H ALA 3 H2 ALA 3 4.719 -5.344 -19.106 3 3H ALA 3 H3 ALA 3 3.424 -4.759 -19.973 4 HA ALA 3 HA ALA 3 3.418 -6.518 -17.648 5 1HB ALA 3 HB1 ALA 3 2.154 -6.642 -20.410 6 2HB ALA 3 HB2 ALA 3 3.257 -7.784 -19.616 7 3HB ALA 3 HB3 ALA 3 1.585 -7.672 -19.081 8 H VAL 4 H VAL 4 0.446 -6.816 -17.719 9 HA VAL 4 HA VAL 4 0.555 -5.205 -15.453 10 HB VAL 4 HB VAL 4 -0.537 -3.536 -17.027 11 1HG1 VAL 4 HG11 VAL 4 -2.981 -5.348 -16.820 12 2HG1 VAL 4 HG12 VAL 4 -2.863 -3.774 -17.620 13 3HG1 VAL 4 HG13 VAL 4 -1.990 -5.166 -18.287 14 1HG2 VAL 4 HG21 VAL 4 -2.191 -4.402 -14.626 15 2HG2 VAL 4 HG22 VAL 4 -0.724 -3.401 -14.578 16 3HG2 VAL 4 HG23 VAL 4 -2.178 -2.806 -15.391 17 H LYS 5 H LYS 5 -0.861 -6.154 -13.865 18 HA LYS 5 HA LYS 5 -2.538 -8.390 -14.694 19 1HB LYS 5 HB2 LYS 5 0.036 -9.030 -13.783 20 2HB LYS 5 HB3 LYS 5 -0.903 -9.016 -12.293 21 1HG LYS 5 HG2 LYS 5 -1.037 -11.238 -13.080 22 2HG LYS 5 HG3 LYS 5 -2.591 -10.550 -13.515 23 1HD LYS 5 HD2 LYS 5 -0.995 -9.980 -15.776 24 2HD LYS 5 HD3 LYS 5 -0.303 -11.479 -15.189 25 1HE LYS 5 HE2 LYS 5 -1.916 -12.135 -16.775 26 2HE LYS 5 HE3 LYS 5 -2.674 -12.477 -15.215 27 1HZ LYS 5 HZ1 LYS 5 -4.125 -11.363 -16.824 28 2HZ LYS 5 HZ2 LYS 5 -3.942 -10.457 -15.467 29 3HZ LYS 5 HZ3 LYS 5 -3.135 -10.048 -16.842 30 H TYR 6 H TYR 6 -3.773 -9.116 -12.621 31 HA TYR 6 HA TYR 6 -4.377 -6.749 -11.014 32 1HB TYR 6 HB2 TYR 6 -6.323 -8.699 -12.287 33 2HB TYR 6 HB3 TYR 6 -6.687 -7.351 -11.221 34 HD1 TYR 6 HD1 TYR 6 -5.722 -8.324 -14.653 35 HD2 TYR 6 HD2 TYR 6 -6.707 -5.050 -12.046 36 HE1 TYR 6 HE1 TYR 6 -5.833 -6.807 -16.610 37 HE2 TYR 6 HE2 TYR 6 -6.851 -3.527 -14.014 38 HH TYR 6 HH TYR 6 -6.146 -4.635 -17.336 39 H TYR 7 H TYR 7 -5.340 -7.353 -8.956 40 HA TYR 7 HA TYR 7 -4.964 -10.205 -8.152 41 1HB TYR 7 HB2 TYR 7 -4.109 -7.789 -6.539 42 2HB TYR 7 HB3 TYR 7 -3.896 -9.485 -6.122 43 HD1 TYR 7 HD1 TYR 7 -2.246 -10.885 -7.431 44 HD2 TYR 7 HD2 TYR 7 -2.580 -6.625 -7.984 45 HE1 TYR 7 HE1 TYR 7 -0.055 -10.863 -8.583 46 HE2 TYR 7 HE2 TYR 7 -0.399 -6.612 -9.170 47 HH TYR 7 HH TYR 7 1.579 -9.555 -9.563 48 H THR 8 H THR 8 -6.490 -10.949 -6.674 49 HA THR 8 HA THR 8 -9.017 -9.510 -6.556 50 HB THR 8 HB THR 8 -9.746 -11.560 -5.378 51 HG1 THR 8 HG1 THR 8 -7.767 -13.210 -5.288 52 1HG2 THR 8 HG21 THR 8 -9.610 -11.545 -7.862 53 2HG2 THR 8 HG22 THR 8 -7.995 -12.280 -7.779 54 3HG2 THR 8 HG23 THR 8 -9.410 -13.163 -7.169 55 H LEU 9 H LEU 9 -10.082 -8.971 -4.473 56 HA LEU 9 HA LEU 9 -8.445 -7.680 -2.626 57 1HB LEU 9 HB2 LEU 9 -11.193 -8.077 -2.995 58 2HB LEU 9 HB3 LEU 9 -10.920 -8.786 -1.447 59 HG LEU 9 HG LEU 9 -10.199 -5.958 -2.323 60 1HD1 LEU 9 HD11 LEU 9 -12.676 -6.696 -1.642 61 2HD1 LEU 9 HD12 LEU 9 -12.048 -6.570 -0.003 62 3HD1 LEU 9 HD13 LEU 9 -11.990 -5.161 -1.082 63 1HD2 LEU 9 HD21 LEU 9 -9.871 -7.089 0.482 64 2HD2 LEU 9 HD22 LEU 9 -8.513 -6.760 -0.616 65 3HD2 LEU 9 HD23 LEU 9 -9.529 -5.435 -0.043 66 H GLU 10 H GLU 10 -9.686 -11.023 -2.675 67 HA GLU 10 HA GLU 10 -8.769 -11.933 -0.200 68 1HB GLU 10 HB2 GLU 10 -10.209 -13.153 -1.919 69 2HB GLU 10 HB3 GLU 10 -8.717 -13.591 -2.739 70 1HG GLU 10 HG2 GLU 10 -9.311 -15.423 -1.311 71 2HG GLU 10 HG3 GLU 10 -7.910 -14.643 -0.572 72 H GLU 11 H GLU 11 -7.033 -12.359 -3.350 73 HA GLU 11 HA GLU 11 -4.643 -13.322 -2.249 74 1HB GLU 11 HB2 GLU 11 -5.453 -12.044 -4.832 75 2HB GLU 11 HB3 GLU 11 -3.758 -11.922 -4.429 76 1HG GLU 11 HG2 GLU 11 -4.275 -13.975 -5.754 77 2HG GLU 11 HG3 GLU 11 -3.525 -14.315 -4.190 78 H ILE 12 H ILE 12 -5.559 -9.888 -2.856 79 HA ILE 12 HA ILE 12 -3.049 -8.895 -1.899 80 HB ILE 12 HB ILE 12 -5.777 -7.559 -1.899 81 1HG1 ILE 12 HG12 ILE 12 -3.616 -7.201 -4.029 82 2HG1 ILE 12 HG13 ILE 12 -4.802 -8.472 -4.187 83 1HG2 ILE 12 HG21 ILE 12 -4.657 -5.461 -1.767 84 2HG2 ILE 12 HG22 ILE 12 -3.855 -6.438 -0.546 85 3HG2 ILE 12 HG23 ILE 12 -3.073 -6.175 -2.109 86 1HD1 ILE 12 HD11 ILE 12 -5.443 -5.529 -3.958 87 2HD1 ILE 12 HD12 ILE 12 -5.581 -6.527 -5.405 88 3HD1 ILE 12 HD13 ILE 12 -6.647 -6.838 -4.040 89 H GLN 13 H GLN 13 -6.129 -9.645 -0.170 90 HA GLN 13 HA GLN 13 -5.293 -8.779 2.413 91 1HB GLN 13 HB2 GLN 13 -7.484 -10.613 1.353 92 2HB GLN 13 HB3 GLN 13 -7.105 -10.528 3.047 93 1HG GLN 13 HG2 GLN 13 -7.335 -7.864 2.591 94 2HG GLN 13 HG3 GLN 13 -8.366 -8.467 1.308 95 1HE2 GLN 13 HE21 GLN 13 -7.698 -9.038 4.815 96 2HE2 GLN 13 HE22 GLN 13 -9.387 -9.241 5.257 97 H LYS 14 H LYS 14 -4.452 -11.663 0.564 98 HA LYS 14 HA LYS 14 -3.589 -13.105 2.954 99 1HB LYS 14 HB2 LYS 14 -2.955 -13.499 0.010 100 2HB LYS 14 HB3 LYS 14 -2.390 -14.531 1.310 101 1HG LYS 14 HG2 LYS 14 -5.234 -14.136 1.682 102 2HG LYS 14 HG3 LYS 14 -5.002 -14.461 -0.020 103 1HD LYS 14 HD2 LYS 14 -3.583 -16.252 1.965 104 2HD LYS 14 HD3 LYS 14 -5.339 -16.381 1.836 105 1HE LYS 14 HE2 LYS 14 -5.278 -16.882 -0.513 106 2HE LYS 14 HE3 LYS 14 -3.556 -16.500 -0.638 107 1HZ LYS 14 HZ1 LYS 14 -3.071 -18.396 0.712 108 2HZ LYS 14 HZ2 LYS 14 -4.671 -18.731 0.935 109 3HZ LYS 14 HZ3 LYS 14 -4.003 -18.859 -0.563 110 H HIS 15 H HIS 15 -2.320 -10.355 1.253 111 HA HIS 15 HA HIS 15 0.450 -10.838 2.267 112 1HB HIS 15 HB2 HIS 15 -0.625 -8.961 0.138 113 2HB HIS 15 HB3 HIS 15 1.035 -9.040 0.691 114 HD1 HIS 15 HD1 HIS 15 2.178 -9.851 -1.448 115 HD2 HIS 15 HD2 HIS 15 -1.174 -12.126 -0.373 116 HE1 HIS 15 HE1 HIS 15 2.077 -11.827 -3.065 117 H ASN 16 H ASN 16 -0.512 -10.382 4.455 118 HA ASN 16 HA ASN 16 0.024 -7.625 5.251 119 1HB ASN 16 HB2 ASN 16 -2.226 -7.251 6.261 120 2HB ASN 16 HB3 ASN 16 -2.219 -7.318 4.502 121 1HD2 ASN 16 HD21 ASN 16 -4.717 -7.718 4.995 122 2HD2 ASN 16 HD22 ASN 16 -5.010 -9.465 4.971 123 H ASN 17 H ASN 17 1.569 -9.486 6.187 124 HA ASN 17 HA ASN 17 0.846 -9.580 9.024 125 1HB ASN 17 HB2 ASN 17 0.426 -11.973 7.359 126 2HB ASN 17 HB3 ASN 17 1.640 -12.280 8.595 127 1HD2 ASN 17 HD21 ASN 17 -1.780 -11.554 8.092 128 2HD2 ASN 17 HD22 ASN 17 -2.224 -11.977 9.735 129 H SER 18 H SER 18 3.067 -11.583 7.125 130 HA SER 18 HA SER 18 5.387 -9.918 7.518 131 1HB SER 18 HB2 SER 18 4.964 -12.301 9.358 132 2HB SER 18 HB3 SER 18 6.584 -11.752 8.909 133 HG SER 18 HG SER 18 4.626 -10.007 9.988 134 H LYS 19 H LYS 19 4.373 -10.577 5.255 135 HA LYS 19 HA LYS 19 6.544 -12.187 4.141 136 1HB LYS 19 HB2 LYS 19 3.573 -12.680 3.579 137 2HB LYS 19 HB3 LYS 19 4.842 -12.976 2.388 138 1HG LYS 19 HG2 LYS 19 5.996 -14.297 4.399 139 2HG LYS 19 HG3 LYS 19 4.366 -14.338 5.045 140 1HD LYS 19 HD2 LYS 19 3.995 -16.161 3.793 141 2HD LYS 19 HD3 LYS 19 4.043 -15.147 2.345 142 1HE LYS 19 HE2 LYS 19 6.409 -15.576 2.007 143 2HE LYS 19 HE3 LYS 19 6.585 -16.291 3.618 144 1HZ LYS 19 HZ1 LYS 19 5.211 -18.107 2.942 145 2HZ LYS 19 HZ2 LYS 19 5.065 -17.497 1.417 146 3HZ LYS 19 HZ3 LYS 19 6.534 -17.972 1.983 147 H SER 20 H SER 20 3.589 -10.339 3.164 148 HA SER 20 HA SER 20 5.361 -8.379 1.872 149 1HB SER 20 HB2 SER 20 3.469 -8.621 -0.010 150 2HB SER 20 HB3 SER 20 5.057 -9.392 -0.039 151 HG SER 20 HG SER 20 3.883 -11.145 -0.212 152 H THR 21 H THR 21 4.732 -6.369 2.517 153 HA THR 21 HA THR 21 1.991 -5.845 3.499 154 HB THR 21 HB THR 21 4.313 -3.966 2.997 155 HG1 THR 21 HG1 THR 21 4.727 -4.247 5.168 156 1HG2 THR 21 HG21 THR 21 1.986 -2.919 3.296 157 2HG2 THR 21 HG22 THR 21 2.090 -3.567 4.949 158 3HG2 THR 21 HG23 THR 21 3.262 -2.386 4.394 159 H TRP 22 H TRP 22 0.712 -6.307 1.615 160 HA TRP 22 HA TRP 22 1.011 -4.372 -0.655 161 1HB TRP 22 HB2 TRP 22 -0.658 -6.879 -0.300 162 2HB TRP 22 HB3 TRP 22 -0.814 -5.767 -1.642 163 HD1 TRP 22 HD1 TRP 22 2.763 -6.231 -0.829 164 HE1 TRP 22 HE1 TRP 22 3.916 -7.491 -2.642 165 HE3 TRP 22 HE3 TRP 22 -1.390 -7.991 -3.226 166 HZ2 TRP 22 HZ2 TRP 22 3.137 -9.180 -4.918 167 HZ3 TRP 22 HZ3 TRP 22 -1.159 -9.498 -5.159 168 HH2 TRP 22 HH2 TRP 22 1.099 -10.059 -6.062 169 H LEU 23 H LEU 23 -1.392 -3.660 -1.347 170 HA LEU 23 HA LEU 23 -3.467 -3.507 0.507 171 1HB LEU 23 HB2 LEU 23 -3.256 -1.004 1.051 172 2HB LEU 23 HB3 LEU 23 -2.357 -2.149 1.988 173 HG LEU 23 HG LEU 23 -0.321 -1.644 0.426 174 1HD1 LEU 23 HD11 LEU 23 -2.187 0.647 -0.192 175 2HD1 LEU 23 HD12 LEU 23 -0.450 0.736 -0.466 176 3HD1 LEU 23 HD13 LEU 23 -1.423 -0.436 -1.372 177 1HD2 LEU 23 HD21 LEU 23 0.225 0.344 1.749 178 2HD2 LEU 23 HD22 LEU 23 -1.477 0.407 2.312 179 3HD2 LEU 23 HD23 LEU 23 -0.435 -0.968 2.745 180 H ILE 24 H ILE 24 -5.057 -1.723 -0.215 181 HA ILE 24 HA ILE 24 -4.800 -1.291 -3.170 182 HB ILE 24 HB ILE 24 -7.249 -1.843 -1.485 183 1HG1 ILE 24 HG12 ILE 24 -6.526 -3.284 -4.045 184 2HG1 ILE 24 HG13 ILE 24 -5.545 -3.636 -2.638 185 1HG2 ILE 24 HG21 ILE 24 -7.897 -0.116 -3.085 186 2HG2 ILE 24 HG22 ILE 24 -6.990 -0.916 -4.390 187 3HG2 ILE 24 HG23 ILE 24 -8.457 -1.661 -3.732 188 1HD1 ILE 24 HD11 ILE 24 -7.529 -5.173 -2.774 189 2HD1 ILE 24 HD12 ILE 24 -7.466 -4.234 -1.276 190 3HD1 ILE 24 HD13 ILE 24 -8.591 -3.771 -2.566 191 H LEU 25 H LEU 25 -4.558 0.714 -3.710 192 HA LEU 25 HA LEU 25 -5.710 2.990 -2.130 193 1HB LEU 25 HB2 LEU 25 -2.979 2.378 -3.125 194 2HB LEU 25 HB3 LEU 25 -3.557 3.999 -3.492 195 HG LEU 25 HG LEU 25 -3.585 4.701 -1.363 196 1HD1 LEU 25 HD11 LEU 25 -3.082 2.971 0.521 197 2HD1 LEU 25 HD12 LEU 25 -4.705 3.200 -0.162 198 3HD1 LEU 25 HD13 LEU 25 -3.730 1.853 -0.719 199 1HD2 LEU 25 HD21 LEU 25 -1.293 4.307 -0.596 200 2HD2 LEU 25 HD22 LEU 25 -1.174 2.832 -1.566 201 3HD2 LEU 25 HD23 LEU 25 -1.348 4.414 -2.358 202 H HIS 26 H HIS 26 -7.541 3.161 -3.396 203 HA HIS 26 HA HIS 26 -8.812 3.810 -5.171 204 1HB HIS 26 HB2 HIS 26 -6.299 4.859 -6.519 205 2HB HIS 26 HB3 HIS 26 -7.970 5.339 -6.799 206 HD1 HIS 26 HD1 HIS 26 -9.017 7.066 -4.996 207 HD2 HIS 26 HD2 HIS 26 -5.054 5.805 -4.361 208 HE1 HIS 26 HE1 HIS 26 -8.044 8.615 -3.243 209 H TYR 27 H TYR 27 -8.467 1.231 -5.238 210 HA TYR 27 HA TYR 27 -8.569 -0.629 -6.525 211 1HB TYR 27 HB2 TYR 27 -8.877 1.252 -8.890 212 2HB TYR 27 HB3 TYR 27 -9.443 -0.399 -8.772 213 HD1 TYR 27 HD1 TYR 27 -10.614 0.013 -5.804 214 HD2 TYR 27 HD2 TYR 27 -11.075 1.997 -9.613 215 HE1 TYR 27 HE1 TYR 27 -12.903 0.639 -5.198 216 HE2 TYR 27 HE2 TYR 27 -13.435 2.509 -9.027 217 HH TYR 27 HH TYR 27 -14.794 1.815 -5.802 218 H LYS 28 H LYS 28 -5.880 0.744 -6.165 219 HA LYS 28 HA LYS 28 -4.437 -0.726 -8.312 220 1HB LYS 28 HB2 LYS 28 -3.948 2.059 -7.231 221 2HB LYS 28 HB3 LYS 28 -2.697 1.103 -8.049 222 1HG LYS 28 HG2 LYS 28 -4.059 0.880 -10.011 223 2HG LYS 28 HG3 LYS 28 -5.443 1.697 -9.254 224 1HD LYS 28 HD2 LYS 28 -4.327 3.791 -9.188 225 2HD LYS 28 HD3 LYS 28 -2.747 3.060 -9.551 226 1HE LYS 28 HE2 LYS 28 -3.657 2.277 -11.781 227 2HE LYS 28 HE3 LYS 28 -5.178 3.114 -11.427 228 1HZ LYS 28 HZ1 LYS 28 -3.942 5.164 -11.363 229 2HZ LYS 28 HZ2 LYS 28 -2.528 4.355 -11.658 230 3HZ LYS 28 HZ3 LYS 28 -3.717 4.389 -12.806 231 H VAL 29 H VAL 29 -2.930 -2.092 -7.634 232 HA VAL 29 HA VAL 29 -2.549 -2.338 -4.735 233 HB VAL 29 HB VAL 29 -1.659 -4.277 -6.882 234 1HG1 VAL 29 HG11 VAL 29 -0.769 -4.524 -4.510 235 2HG1 VAL 29 HG12 VAL 29 -2.439 -4.649 -3.946 236 3HG1 VAL 29 HG13 VAL 29 -1.774 -5.886 -5.034 237 1HG2 VAL 29 HG21 VAL 29 -3.771 -5.487 -6.375 238 2HG2 VAL 29 HG22 VAL 29 -4.345 -4.063 -5.476 239 3HG2 VAL 29 HG23 VAL 29 -4.039 -3.967 -7.223 240 H TYR 30 H TYR 30 -0.665 -2.020 -3.742 241 HA TYR 30 HA TYR 30 1.794 -1.305 -5.295 242 1HB TYR 30 HB2 TYR 30 0.612 0.000 -2.811 243 2HB TYR 30 HB3 TYR 30 2.159 0.412 -3.518 244 HD1 TYR 30 HD1 TYR 30 -1.498 0.667 -3.805 245 HD2 TYR 30 HD2 TYR 30 2.197 1.496 -5.822 246 HE1 TYR 30 HE1 TYR 30 -2.672 2.240 -5.310 247 HE2 TYR 30 HE2 TYR 30 0.991 3.084 -7.343 248 HH TYR 30 HH TYR 30 -2.438 3.901 -6.834 249 H ASP 31 H ASP 31 3.413 -2.684 -4.703 250 HA ASP 31 HA ASP 31 3.321 -4.040 -2.039 251 1HB ASP 31 HB2 ASP 31 4.016 -5.423 -3.978 252 2HB ASP 31 HB3 ASP 31 5.362 -4.308 -4.276 253 H LEU 32 H LEU 32 4.206 -2.867 -0.373 254 HA LEU 32 HA LEU 32 6.577 -1.170 -0.962 255 1HB LEU 32 HB2 LEU 32 4.637 -0.758 1.275 256 2HB LEU 32 HB3 LEU 32 5.875 0.343 0.798 257 HG LEU 32 HG LEU 32 4.151 -0.068 -1.514 258 1HD1 LEU 32 HD11 LEU 32 2.579 1.183 0.729 259 2HD1 LEU 32 HD12 LEU 32 2.042 0.552 -0.843 260 3HD1 LEU 32 HD13 LEU 32 2.500 -0.568 0.442 261 1HD2 LEU 32 HD21 LEU 32 4.345 2.187 -1.727 262 2HD2 LEU 32 HD22 LEU 32 4.396 2.484 0.044 263 3HD2 LEU 32 HD23 LEU 32 5.783 1.813 -0.810 264 H THR 33 H THR 33 6.310 -4.078 -0.285 265 HA THR 33 HA THR 33 6.493 -4.318 2.561 266 HB THR 33 HB THR 33 5.774 -6.087 0.822 267 HG1 THR 33 HG1 THR 33 7.504 -6.597 3.033 268 1HG2 THR 33 HG21 THR 33 8.716 -6.887 0.946 269 2HG2 THR 33 HG22 THR 33 7.376 -7.739 0.164 270 3HG2 THR 33 HG23 THR 33 7.919 -6.190 -0.479 271 H LYS 34 H LYS 34 8.888 -4.060 0.006 272 HA LYS 34 HA LYS 34 11.118 -4.293 1.935 273 1HB LYS 34 HB2 LYS 34 11.023 -5.261 -0.500 274 2HB LYS 34 HB3 LYS 34 11.287 -3.582 -0.999 275 1HG LYS 34 HG2 LYS 34 13.258 -3.830 0.889 276 2HG LYS 34 HG3 LYS 34 13.048 -5.532 0.467 277 1HD LYS 34 HD2 LYS 34 13.158 -4.356 -2.045 278 2HD LYS 34 HD3 LYS 34 14.122 -3.213 -1.092 279 1HE LYS 34 HE2 LYS 34 15.408 -5.334 -0.240 280 2HE LYS 34 HE3 LYS 34 14.554 -6.208 -1.526 281 1HZ LYS 34 HZ1 LYS 34 16.417 -3.951 -1.853 282 2HZ LYS 34 HZ2 LYS 34 16.669 -5.514 -2.299 283 3HZ LYS 34 HZ3 LYS 34 15.548 -4.605 -3.090 284 H PHE 35 H PHE 35 8.969 -2.089 2.001 285 HA PHE 35 HA PHE 35 10.832 0.193 1.910 286 1HB PHE 35 HB2 PHE 35 8.954 -0.198 -0.014 287 2HB PHE 35 HB3 PHE 35 7.974 0.539 1.180 288 HD1 PHE 35 HD1 PHE 35 7.535 2.796 0.782 289 HD2 PHE 35 HD2 PHE 35 11.501 1.258 -0.016 290 HE1 PHE 35 HE1 PHE 35 8.236 5.010 -0.068 291 HE2 PHE 35 HE2 PHE 35 12.227 3.499 -0.700 292 HZ PHE 35 HZ PHE 35 10.593 5.381 -0.784 293 H LEU 36 H LEU 36 9.363 -1.711 4.011 294 HA LEU 36 HA LEU 36 7.553 -0.007 5.371 295 1HB LEU 36 HB2 LEU 36 9.234 -2.362 6.315 296 2HB LEU 36 HB3 LEU 36 7.971 -1.637 7.297 297 HG LEU 36 HG LEU 36 7.461 -2.758 4.511 298 1HD1 LEU 36 HD11 LEU 36 6.854 -4.079 7.186 299 2HD1 LEU 36 HD12 LEU 36 6.641 -4.757 5.549 300 3HD1 LEU 36 HD13 LEU 36 8.263 -4.476 6.178 301 1HD2 LEU 36 HD21 LEU 36 5.143 -2.694 6.227 302 2HD2 LEU 36 HD22 LEU 36 5.876 -1.102 6.240 303 3HD2 LEU 36 HD23 LEU 36 5.468 -1.853 4.690 304 H GLU 37 H GLU 37 10.914 -0.827 6.412 305 HA GLU 37 HA GLU 37 11.095 1.343 8.258 306 1HB GLU 37 HB2 GLU 37 13.191 -0.359 6.871 307 2HB GLU 37 HB3 GLU 37 13.606 0.977 7.946 308 1HG GLU 37 HG2 GLU 37 12.129 -0.097 9.723 309 2HG GLU 37 HG3 GLU 37 12.082 -1.542 8.697 310 H GLU 38 H GLU 38 11.646 1.168 4.766 311 HA GLU 38 HA GLU 38 13.095 3.629 4.523 312 1HB GLU 38 HB2 GLU 38 11.351 2.153 2.561 313 2HB GLU 38 HB3 GLU 38 12.459 3.432 2.134 314 1HG GLU 38 HG2 GLU 38 13.892 1.351 3.638 315 2HG GLU 38 HG3 GLU 38 13.067 0.666 2.232 316 H HIS 39 HN HIS 39 9.604 2.785 4.409 317 HA HIS 39 HA HIS 39 8.672 5.121 3.236 318 1HB HIS 39 HB2 HIS 39 7.236 3.256 3.394 319 2HB HIS 39 HB3 HIS 39 7.341 3.224 5.155 320 HD1 HIS 39 HND HIS 39 5.445 4.361 6.391 321 HD2 HIS 39 HD HIS 39 5.850 5.612 2.398 322 HE1 HIS 39 HE HIS 39 3.452 5.854 5.896 323 HA PRO 40 HA PRO 40 9.908 7.723 6.663 324 1HB PRO 40 HB2 PRO 40 9.352 10.202 5.631 325 2HB PRO 40 HB3 PRO 40 10.710 9.178 5.090 326 1HG PRO 40 HG2 PRO 40 7.976 9.400 3.819 327 2HG PRO 40 HG3 PRO 40 9.562 9.529 3.006 328 1HD PRO 40 HD2 PRO 40 8.078 7.260 3.049 329 2HD PRO 40 HD3 PRO 40 9.864 7.185 3.168 330 H GLY 41 H GLY 41 6.672 7.132 5.830 331 1HA GLY 41 HA1 GLY 41 5.487 8.875 7.897 332 2HA GLY 41 HA2 GLY 41 4.689 7.616 6.963 333 H GLY 42 H GLY 42 4.240 5.733 8.027 334 1HA GLY 42 HA1 GLY 42 6.018 4.868 10.272 335 2HA GLY 42 HA2 GLY 42 4.265 4.903 10.438 336 H GLU 43 H GLU 43 6.678 2.812 10.012 337 HA GLU 43 HA GLU 43 5.792 1.094 7.893 338 1HB GLU 43 HB2 GLU 43 7.198 -0.545 8.963 339 2HB GLU 43 HB3 GLU 43 8.011 1.018 8.888 340 1HG GLU 43 HG2 GLU 43 8.602 0.203 10.970 341 2HG GLU 43 HG3 GLU 43 7.300 1.316 11.377 342 H ALA 44 H ALA 44 5.126 1.160 11.420 343 HA ALA 44 HA ALA 44 3.378 -0.877 11.676 344 1HB ALA 44 HB1 ALA 44 2.377 0.329 13.571 345 2HB ALA 44 HB2 ALA 44 4.135 0.533 13.552 346 3HB ALA 44 HB3 ALA 44 3.086 1.857 13.003 347 H VAL 45 H VAL 45 2.362 2.487 10.787 348 HA VAL 45 HA VAL 45 -0.346 1.730 10.341 349 HB VAL 45 HB VAL 45 0.253 4.031 10.743 350 1HG1 VAL 45 HG11 VAL 45 2.302 4.272 9.526 351 2HG1 VAL 45 HG12 VAL 45 1.476 4.069 7.955 352 3HG1 VAL 45 HG13 VAL 45 1.142 5.476 8.983 353 1HG2 VAL 45 HG21 VAL 45 -1.863 3.796 9.841 354 2HG2 VAL 45 HG22 VAL 45 -1.134 5.034 8.810 355 3HG2 VAL 45 HG23 VAL 45 -1.281 3.375 8.217 356 H LEU 46 H LEU 46 2.512 1.849 7.990 357 HA LEU 46 HA LEU 46 1.014 1.060 5.770 358 1HB LEU 46 HB2 LEU 46 3.835 1.130 6.545 359 2HB LEU 46 HB3 LEU 46 3.485 -0.414 5.784 360 HG LEU 46 HG LEU 46 2.331 0.828 3.945 361 1HD1 LEU 46 HD11 LEU 46 3.235 3.293 3.745 362 2HD1 LEU 46 HD12 LEU 46 1.823 2.963 4.764 363 3HD1 LEU 46 HD13 LEU 46 3.406 3.139 5.515 364 1HD2 LEU 46 HD21 LEU 46 4.543 -0.079 3.593 365 2HD2 LEU 46 HD22 LEU 46 4.431 1.491 2.793 366 3HD2 LEU 46 HD23 LEU 46 5.303 1.347 4.337 367 H ARG 47 H ARG 47 2.272 -0.948 8.431 368 HA ARG 47 HA ARG 47 1.605 -3.435 7.153 369 1HB ARG 47 HB2 ARG 47 3.404 -3.051 8.907 370 2HB ARG 47 HB3 ARG 47 2.106 -2.915 10.094 371 1HG ARG 47 HG2 ARG 47 2.807 -5.175 10.220 372 2HG ARG 47 HG3 ARG 47 1.303 -5.230 9.321 373 1HD ARG 47 HD2 ARG 47 2.390 -6.414 7.745 374 2HD ARG 47 HD3 ARG 47 3.230 -4.921 7.288 375 HE ARG 47 HE ARG 47 4.490 -6.210 9.531 376 1HH1 ARG 47 HH11 ARG 47 6.923 -7.975 7.754 377 2HH1 ARG 47 HH12 ARG 47 6.277 -7.603 9.315 378 1HH2 ARG 47 HH21 ARG 47 5.685 -7.372 5.817 379 2HH2 ARG 47 HH22 ARG 47 4.378 -6.253 5.957 380 H ALA 48 H ALA 48 0.044 -1.372 9.575 381 HA ALA 48 HA ALA 48 -2.084 -3.104 10.300 382 1HB ALA 48 HB1 ALA 48 -1.342 -1.126 11.579 383 2HB ALA 48 HB2 ALA 48 -1.908 -0.062 10.278 384 3HB ALA 48 HB3 ALA 48 -3.082 -1.029 11.204 385 H GLN 49 H GLN 49 -1.965 -0.384 7.917 386 HA GLN 49 HA GLN 49 -4.600 -0.941 6.871 387 1HB GLN 49 HB2 GLN 49 -2.262 0.873 6.278 388 2HB GLN 49 HB3 GLN 49 -3.453 0.618 5.027 389 1HG GLN 49 HG2 GLN 49 -4.020 2.565 6.242 390 2HG GLN 49 HG3 GLN 49 -5.277 1.331 6.434 391 1HE2 GLN 49 HE21 GLN 49 -3.921 3.806 8.072 392 2HE2 GLN 49 HE22 GLN 49 -4.076 3.157 9.694 393 H ALA 50 H ALA 50 -1.566 -2.484 6.405 394 HA ALA 50 HA ALA 50 -1.626 -3.083 3.729 395 1HB ALA 50 HB1 ALA 50 -0.779 -5.197 5.732 396 2HB ALA 50 HB2 ALA 50 -0.057 -4.802 4.154 397 3HB ALA 50 HB3 ALA 50 0.118 -3.698 5.523 398 H GLY 51 H GLY 51 -2.392 -4.796 2.479 399 1HA GLY 51 HA1 GLY 51 -4.104 -6.070 1.646 400 2HA GLY 51 HA2 GLY 51 -3.771 -7.104 3.029 401 H GLY 52 H GLY 52 -5.224 -3.907 2.386 402 1HA GLY 52 HA1 GLY 52 -7.915 -4.690 3.075 403 2HA GLY 52 HA2 GLY 52 -7.147 -3.607 4.268 404 H ASP 53 H ASP 53 -9.251 -2.499 2.967 405 HA ASP 53 HA ASP 53 -8.476 -0.863 0.706 406 1HB ASP 53 HB2 ASP 53 -10.479 0.431 1.436 407 2HB ASP 53 HB3 ASP 53 -10.827 -1.278 1.132 408 H ALA 54 H ALA 54 -6.674 0.381 1.024 409 HA ALA 54 HA ALA 54 -6.404 1.827 3.657 410 1HB ALA 54 HB1 ALA 54 -4.093 2.121 3.084 411 2HB ALA 54 HB2 ALA 54 -4.512 0.377 3.109 412 3HB ALA 54 HB3 ALA 54 -4.309 1.212 1.564 413 H THR 55 H THR 55 -7.687 2.228 0.619 414 HA THR 55 HA THR 55 -6.496 4.495 -0.429 415 HB THR 55 HB THR 55 -9.482 3.865 -0.512 416 HG1 THR 55 HG1 THR 55 -8.790 2.067 -1.372 417 1HG2 THR 55 HG21 THR 55 -8.800 6.030 -1.551 418 2HG2 THR 55 HG22 THR 55 -7.507 5.172 -2.419 419 3HG2 THR 55 HG23 THR 55 -9.214 4.846 -2.812 420 H ALA 56 H ALA 56 -9.294 4.388 1.813 421 HA ALA 56 HA ALA 56 -9.566 7.186 2.155 422 1HB ALA 56 HB1 ALA 56 -10.196 4.868 4.050 423 2HB ALA 56 HB2 ALA 56 -10.762 6.538 4.258 424 3HB ALA 56 HB3 ALA 56 -11.294 5.591 2.855 425 H ASN 57 H ASN 57 -7.652 4.784 4.024 426 HA ASN 57 HA ASN 57 -6.865 6.632 6.042 427 1HB ASN 57 HB2 ASN 57 -5.419 4.103 5.192 428 2HB ASN 57 HB3 ASN 57 -5.334 4.916 6.769 429 1HD2 ASN 57 HD21 ASN 57 -6.827 4.268 8.366 430 2HD2 ASN 57 HD22 ASN 57 -8.193 3.231 8.001 431 H PHE 58 H PHE 58 -5.221 5.474 3.105 432 HA PHE 58 HA PHE 58 -2.809 6.929 3.227 433 1HB PHE 58 HB2 PHE 58 -3.232 5.179 1.614 434 2HB PHE 58 HB3 PHE 58 -4.586 6.052 0.919 435 HD1 PHE 58 HD1 PHE 58 -4.243 7.365 -1.031 436 HD2 PHE 58 HD2 PHE 58 -0.919 6.521 1.572 437 HE1 PHE 58 HE1 PHE 58 -2.701 8.240 -2.727 438 HE2 PHE 58 HE2 PHE 58 0.653 7.329 -0.180 439 HZ PHE 58 HZ PHE 58 -0.230 8.169 -2.341 440 H GLU 59 H GLU 59 -5.889 7.838 1.543 441 HA GLU 59 HA GLU 59 -5.044 10.434 0.843 442 1HB GLU 59 HB2 GLU 59 -7.788 9.242 1.360 443 2HB GLU 59 HB3 GLU 59 -7.560 10.847 0.649 444 1HG GLU 59 HG2 GLU 59 -6.299 8.368 -0.599 445 2HG GLU 59 HG3 GLU 59 -7.941 8.897 -0.958 446 H ALA 60 H ALA 60 -6.591 9.235 3.823 447 HA ALA 60 HA ALA 60 -7.295 11.601 5.066 448 1HB ALA 60 HB1 ALA 60 -7.162 10.451 7.147 449 2HB ALA 60 HB2 ALA 60 -7.617 9.224 5.950 450 3HB ALA 60 HB3 ALA 60 -5.950 9.316 6.552 451 H VAL 61 H VAL 61 -4.024 10.303 4.568 452 HA VAL 61 HA VAL 61 -2.902 12.815 5.750 453 HB VAL 61 HB VAL 61 -0.866 11.667 6.232 454 1HG1 VAL 61 HG11 VAL 61 -3.234 10.163 7.423 455 2HG1 VAL 61 HG12 VAL 61 -1.622 10.352 8.135 456 3HG1 VAL 61 HG13 VAL 61 -2.666 11.768 7.936 457 1HG2 VAL 61 HG21 VAL 61 -0.954 9.068 6.291 458 2HG2 VAL 61 HG22 VAL 61 -2.176 9.210 5.027 459 3HG2 VAL 61 HG23 VAL 61 -0.542 9.889 4.796 460 H GLY 62 H GLY 62 -3.767 13.577 3.684 461 1HA GLY 62 HA1 GLY 62 -3.216 13.055 1.147 462 2HA GLY 62 HA2 GLY 62 -3.131 14.704 1.772 463 H HIS 63 HN HIS 63 -1.402 12.221 0.259 464 HA HIS 63 HA HIS 63 1.283 12.956 1.127 465 1HB HIS 63 HB2 HIS 63 0.121 11.006 -0.903 466 2HB HIS 63 HB3 HIS 63 1.837 11.284 -0.693 467 HD1 HIS 63 HND HIS 63 -0.885 10.334 1.983 468 HD2 HIS 63 HD HIS 63 2.999 9.539 0.615 469 HE1 HIS 63 HE HIS 63 -0.045 8.344 3.316 470 H SER 64 H SER 64 3.015 13.392 -0.573 471 HA SER 64 HA SER 64 2.299 15.805 -2.016 472 1HB SER 64 HB2 SER 64 4.722 15.979 -2.336 473 2HB SER 64 HB3 SER 64 4.373 15.555 -0.655 474 HG SER 64 HG SER 64 6.043 14.247 -1.666 475 H THR 65 H THR 65 3.289 16.171 -4.298 476 HA THR 65 HA THR 65 2.435 14.431 -6.281 477 HB THR 65 HB THR 65 4.928 16.127 -6.529 478 HG1 THR 65 HG1 THR 65 3.515 17.925 -6.655 479 1HG2 THR 65 HG21 THR 65 3.922 16.702 -8.706 480 2HG2 THR 65 HG22 THR 65 4.081 14.946 -8.532 481 3HG2 THR 65 HG23 THR 65 2.493 15.717 -8.324 482 H ASP 66 H ASP 66 5.667 14.721 -4.756 483 HA ASP 66 HA ASP 66 7.046 12.826 -6.275 484 1HB ASP 66 HB2 ASP 66 7.672 14.485 -4.138 485 2HB ASP 66 HB3 ASP 66 7.660 12.914 -3.326 486 H ALA 67 H ALA 67 5.106 12.394 -3.325 487 HA ALA 67 HA ALA 67 5.432 9.542 -3.129 488 1HB ALA 67 HB1 ALA 67 3.457 11.521 -2.054 489 2HB ALA 67 HB2 ALA 67 3.214 9.766 -1.835 490 3HB ALA 67 HB3 ALA 67 4.659 10.561 -1.178 491 H ARG 68 H ARG 68 2.881 11.589 -4.675 492 HA ARG 68 HA ARG 68 1.189 9.462 -5.515 493 1HB ARG 68 HB2 ARG 68 1.671 12.261 -6.561 494 2HB ARG 68 HB3 ARG 68 0.521 11.183 -7.347 495 1HG ARG 68 HG2 ARG 68 -0.927 11.102 -5.494 496 2HG ARG 68 HG3 ARG 68 0.358 11.510 -4.361 497 1HD ARG 68 HD2 ARG 68 -0.980 13.375 -4.337 498 2HD ARG 68 HD3 ARG 68 0.421 13.835 -5.312 499 HE ARG 68 HE ARG 68 -1.758 12.862 -6.955 500 1HH1 ARG 68 HH11 ARG 68 -3.233 16.033 -7.531 501 2HH1 ARG 68 HH12 ARG 68 -3.258 14.357 -7.966 502 1HH2 ARG 68 HH21 ARG 68 -1.740 16.800 -5.862 503 2HH2 ARG 68 HH22 ARG 68 -0.700 15.650 -5.082 504 H GLU 69 H GLU 69 4.175 10.759 -6.936 505 HA GLU 69 HA GLU 69 3.919 9.150 -9.369 506 1HB GLU 69 HB2 GLU 69 5.733 11.178 -8.199 507 2HB GLU 69 HB3 GLU 69 6.482 10.111 -9.377 508 1HG GLU 69 HG2 GLU 69 3.831 11.522 -9.947 509 2HG GLU 69 HG3 GLU 69 5.389 12.306 -10.213 510 H LEU 70 H LEU 70 5.924 9.111 -6.440 511 HA LEU 70 HA LEU 70 7.485 6.913 -6.913 512 1HB LEU 70 HB2 LEU 70 7.723 8.482 -5.070 513 2HB LEU 70 HB3 LEU 70 6.255 7.826 -4.340 514 HG LEU 70 HG LEU 70 7.290 6.292 -3.230 515 1HD1 LEU 70 HD11 LEU 70 7.478 4.720 -4.816 516 2HD1 LEU 70 HD12 LEU 70 8.797 5.552 -5.702 517 3HD1 LEU 70 HD13 LEU 70 9.092 4.805 -4.109 518 1HD2 LEU 70 HD21 LEU 70 8.783 8.214 -2.860 519 2HD2 LEU 70 HD22 LEU 70 9.607 6.657 -2.672 520 3HD2 LEU 70 HD23 LEU 70 9.854 7.615 -4.149 521 H SER 71 H SER 71 4.342 6.944 -5.237 522 HA SER 71 HA SER 71 3.783 4.272 -4.898 523 1HB SER 71 HB2 SER 71 1.765 6.273 -6.087 524 2HB SER 71 HB3 SER 71 1.424 4.845 -5.099 525 HG SER 71 HG SER 71 2.675 7.268 -4.325 526 H LYS 72 H LYS 72 3.196 6.136 -8.026 527 HA LYS 72 HA LYS 72 2.234 3.847 -9.449 528 1HB LYS 72 HB2 LYS 72 3.534 6.450 -10.383 529 2HB LYS 72 HB3 LYS 72 3.153 5.127 -11.473 530 1HG LYS 72 HG2 LYS 72 0.741 5.259 -10.451 531 2HG LYS 72 HG3 LYS 72 1.251 6.880 -9.914 532 1HD LYS 72 HD2 LYS 72 1.951 7.405 -12.257 533 2HD LYS 72 HD3 LYS 72 1.476 5.769 -12.761 534 1HE LYS 72 HE2 LYS 72 -0.894 6.318 -12.011 535 2HE LYS 72 HE3 LYS 72 -0.366 7.999 -11.813 536 1HZ LYS 72 HZ1 LYS 72 -0.254 6.438 -14.322 537 2HZ LYS 72 HZ2 LYS 72 -1.334 7.633 -13.984 538 3HZ LYS 72 HZ3 LYS 72 0.262 7.987 -14.147 539 H THR 73 H THR 73 5.510 5.106 -8.927 540 HA THR 73 HA THR 73 6.876 3.213 -10.619 541 HB THR 73 HB THR 73 7.614 5.267 -8.598 542 HG1 THR 73 HG1 THR 73 7.663 5.575 -10.816 543 1HG2 THR 73 HG21 THR 73 9.979 4.558 -8.511 544 2HG2 THR 73 HG22 THR 73 8.906 3.578 -7.521 545 3HG2 THR 73 HG23 THR 73 9.507 2.945 -9.079 546 H PHE 74 H PHE 74 5.349 2.878 -7.553 547 HA PHE 74 HA PHE 74 6.561 0.179 -7.064 548 1HB PHE 74 HB2 PHE 74 5.028 2.203 -5.407 549 2HB PHE 74 HB3 PHE 74 4.957 0.501 -4.996 550 HD1 PHE 74 HD1 PHE 74 5.884 0.669 -2.907 551 HD2 PHE 74 HD2 PHE 74 8.123 1.922 -6.350 552 HE1 PHE 74 HE1 PHE 74 7.803 1.136 -1.487 553 HE2 PHE 74 HE2 PHE 74 10.087 2.347 -4.928 554 HZ PHE 74 HZ PHE 74 9.970 1.865 -2.477 555 H ILE 75 H ILE 75 4.020 1.414 -8.885 556 HA ILE 75 HA ILE 75 1.882 -0.218 -7.925 557 HB ILE 75 HB ILE 75 2.003 1.721 -9.729 558 1HG1 ILE 75 HG12 ILE 75 -0.007 -0.502 -9.478 559 2HG1 ILE 75 HG13 ILE 75 0.084 1.063 -8.632 560 1HG2 ILE 75 HG21 ILE 75 3.219 0.312 -11.420 561 2HG2 ILE 75 HG22 ILE 75 1.769 -0.728 -11.500 562 3HG2 ILE 75 HG23 ILE 75 1.703 0.980 -12.006 563 1HD1 ILE 75 HD11 ILE 75 -1.600 1.213 -10.307 564 2HD1 ILE 75 HD12 ILE 75 -0.212 2.241 -10.763 565 3HD1 ILE 75 HD13 ILE 75 -0.492 0.667 -11.572 566 H ILE 76 H ILE 76 1.555 -2.373 -7.985 567 HA ILE 76 HA ILE 76 3.443 -4.039 -9.629 568 HB ILE 76 HB ILE 76 2.598 -5.888 -8.177 569 1HG1 ILE 76 HG12 ILE 76 1.663 -3.665 -6.309 570 2HG1 ILE 76 HG13 ILE 76 0.555 -4.521 -7.370 571 1HG2 ILE 76 HG21 ILE 76 4.052 -3.590 -6.781 572 2HG2 ILE 76 HG22 ILE 76 4.172 -5.310 -6.372 573 3HG2 ILE 76 HG23 ILE 76 4.799 -4.732 -7.912 574 1HD1 ILE 76 HD11 ILE 76 1.326 -5.276 -4.809 575 2HD1 ILE 76 HD12 ILE 76 0.526 -6.327 -6.006 576 3HD1 ILE 76 HD13 ILE 76 2.287 -6.353 -5.827 577 H GLY 77 H GLY 77 0.170 -2.889 -9.478 578 1HA GLY 77 HA1 GLY 77 -0.631 -3.693 -11.975 579 2HA GLY 77 HA2 GLY 77 -1.047 -5.058 -10.907 580 H GLU 78 H GLU 78 -3.235 -4.633 -11.203 581 HA GLU 78 HA GLU 78 -4.284 -2.244 -9.781 582 1HB GLU 78 HB2 GLU 78 -4.747 -3.094 -12.579 583 2HB GLU 78 HB3 GLU 78 -6.213 -2.844 -11.644 584 1HG GLU 78 HG2 GLU 78 -5.397 -0.609 -10.950 585 2HG GLU 78 HG3 GLU 78 -4.008 -0.807 -12.049 586 H LEU 79 H LEU 79 -6.606 -2.533 -9.279 587 HA LEU 79 HA LEU 79 -6.951 -4.979 -7.719 588 1HB LEU 79 HB2 LEU 79 -7.674 -2.802 -6.870 589 2HB LEU 79 HB3 LEU 79 -8.627 -2.560 -8.351 590 HG LEU 79 HG LEU 79 -9.953 -4.654 -7.644 591 1HD1 LEU 79 HD11 LEU 79 -9.208 -4.020 -4.811 592 2HD1 LEU 79 HD12 LEU 79 -9.773 -5.538 -5.524 593 3HD1 LEU 79 HD13 LEU 79 -8.090 -5.045 -5.721 594 1HD2 LEU 79 HD21 LEU 79 -11.528 -3.324 -6.768 595 2HD2 LEU 79 HD22 LEU 79 -10.410 -2.373 -5.760 596 3HD2 LEU 79 HD23 LEU 79 -10.529 -2.111 -7.511 597 H HIS 80 H HIS 80 -8.150 -6.737 -8.300 598 HA HIS 80 HA HIS 80 -8.767 -7.359 -10.950 599 1HB HIS 80 HB2 HIS 80 -8.563 -8.841 -8.851 600 2HB HIS 80 HB3 HIS 80 -10.263 -8.496 -8.572 601 HD1 HIS 80 HD1 HIS 80 -11.647 -10.389 -9.533 602 HD2 HIS 80 HD2 HIS 80 -7.930 -9.956 -11.399 603 HE1 HIS 80 HE1 HIS 80 -11.540 -12.209 -11.313 604 HA PRO 81 HA PRO 81 -12.473 -5.090 -11.710 605 1HB PRO 81 HB2 PRO 81 -13.492 -6.456 -13.868 606 2HB PRO 81 HB3 PRO 81 -12.111 -5.326 -13.939 607 1HG PRO 81 HG2 PRO 81 -12.026 -8.344 -13.776 608 2HG PRO 81 HG3 PRO 81 -11.049 -7.266 -14.820 609 1HD PRO 81 HD2 PRO 81 -10.145 -8.333 -12.511 610 2HD PRO 81 HD3 PRO 81 -9.620 -6.714 -13.051 611 H ASP 82 H ASP 82 -12.428 -8.444 -10.655 612 HA ASP 82 HA ASP 82 -15.347 -8.611 -10.527 613 1HB ASP 82 HB2 ASP 82 -15.121 -10.775 -10.086 614 2HB ASP 82 HB3 ASP 82 -13.512 -10.569 -10.719 615 H ASP 83 H ASP 83 -12.822 -7.272 -8.551 616 HA ASP 83 HA ASP 83 -14.233 -7.379 -6.027 617 1HB ASP 83 HB2 ASP 83 -11.831 -7.214 -6.068 618 2HB ASP 83 HB3 ASP 83 -11.913 -5.712 -7.023 619 H ARG 84 H ARG 84 -14.073 -5.139 -8.733 620 HA ARG 84 HA ARG 84 -14.950 -2.789 -7.458 621 1HB ARG 84 HB2 ARG 84 -14.385 -3.635 -10.188 622 2HB ARG 84 HB3 ARG 84 -15.937 -2.812 -10.166 623 1HG ARG 84 HG2 ARG 84 -14.455 -1.101 -10.575 624 2HG ARG 84 HG3 ARG 84 -14.848 -0.935 -8.866 625 1HD ARG 84 HD2 ARG 84 -12.433 -0.672 -9.091 626 2HD ARG 84 HD3 ARG 84 -12.788 -2.174 -8.261 627 HE ARG 84 HE ARG 84 -11.745 -3.348 -9.917 628 1HH1 ARG 84 HH11 ARG 84 -10.500 -2.336 -13.060 629 2HH1 ARG 84 HH12 ARG 84 -10.355 -3.500 -11.780 630 1HH2 ARG 84 HH21 ARG 84 -11.807 -0.375 -12.717 631 2HH2 ARG 84 HH22 ARG 84 -12.696 -0.234 -11.228 632 HHA HEM 201 HGM HEM 201 4.695 10.996 5.081 633 HHB HEM 201 HDM HEM 201 5.899 7.859 -0.459 634 HHC HEM 201 HAM HEM 201 0.918 3.942 0.800 635 HHD HEM 201 HBM HEM 201 0.271 6.601 6.633 636 1HMA HEM 201 HM81 HEM 201 6.807 10.610 -0.322 637 2HMA HEM 201 HM82 HEM 201 7.998 10.784 0.979 638 3HMA HEM 201 HM83 HEM 201 7.787 9.220 0.195 639 1HAA HEM 201 HAA1 HEM 201 6.954 12.288 2.306 640 2HAA HEM 201 HAA2 HEM 201 5.472 12.440 3.218 641 1HBA HEM 201 HBA1 HEM 201 8.237 11.828 4.162 642 2HBA HEM 201 HBA2 HEM 201 6.949 10.979 5.023 643 1HMB HEM 201 HM11 HEM 201 5.057 6.797 -2.519 644 2HMB HEM 201 HM12 HEM 201 5.821 5.294 -1.918 645 3HMB HEM 201 HM13 HEM 201 4.354 5.226 -2.898 646 HAB HEM 201 HT2A HEM 201 2.427 2.973 -1.282 647 1HBB HEM 201 HV2C HEM 201 0.928 5.320 -2.364 648 2HBB HEM 201 HV2T HEM 201 0.847 3.507 -2.844 649 1HMC HEM 201 HM31 HEM 201 -0.420 2.373 2.728 650 2HMC HEM 201 HM32 HEM 201 -1.905 3.182 3.280 651 3HMC HEM 201 HM33 HEM 201 -1.249 3.541 1.674 652 HAC HEM 201 HT4A HEM 201 -1.410 3.559 5.826 653 1HBC HEM 201 HV4C HEM 201 -2.147 6.528 5.550 654 2HBC HEM 201 HV4T HEM 201 -3.115 5.185 6.400 655 1HMD HEM 201 HM51 HEM 201 0.185 8.348 8.181 656 2HMD HEM 201 HM52 HEM 201 1.714 7.742 8.856 657 3HMD HEM 201 HM53 HEM 201 1.338 9.462 8.908 658 1HAD HEM 201 HAD1 HEM 201 3.668 10.186 8.538 659 2HAD HEM 201 HAD2 HEM 201 4.318 11.177 7.255 660 1HBD HEM 201 HBD1 HEM 201 2.652 12.680 7.342 661 2HBD HEM 201 HBD2 HEM 201 1.418 11.495 7.774 Start of MODEL 22 1 1H ALA 3 H1 ALA 3 2.747 -10.297 -16.279 2 2H ALA 3 H2 ALA 3 2.360 -11.367 -17.453 3 3H ALA 3 H3 ALA 3 3.781 -10.509 -17.579 4 HA ALA 3 HA ALA 3 2.756 -8.589 -18.180 5 1HB ALA 3 HB1 ALA 3 0.621 -9.107 -19.507 6 2HB ALA 3 HB2 ALA 3 2.033 -10.076 -19.950 7 3HB ALA 3 HB3 ALA 3 0.755 -10.778 -18.934 8 H VAL 4 H VAL 4 0.231 -7.504 -18.092 9 HA VAL 4 HA VAL 4 -0.190 -6.908 -15.378 10 HB VAL 4 HB VAL 4 -1.008 -5.543 -17.233 11 1HG1 VAL 4 HG11 VAL 4 -3.236 -7.591 -17.617 12 2HG1 VAL 4 HG12 VAL 4 -3.000 -6.080 -18.505 13 3HG1 VAL 4 HG13 VAL 4 -1.851 -7.408 -18.711 14 1HG2 VAL 4 HG21 VAL 4 -3.269 -4.987 -16.325 15 2HG2 VAL 4 HG22 VAL 4 -3.166 -6.401 -15.266 16 3HG2 VAL 4 HG23 VAL 4 -1.992 -5.075 -15.103 17 H LYS 5 H LYS 5 -1.343 -7.840 -13.801 18 HA LYS 5 HA LYS 5 -3.307 -9.926 -14.300 19 1HB LYS 5 HB2 LYS 5 -1.193 -11.217 -14.310 20 2HB LYS 5 HB3 LYS 5 -0.792 -10.598 -12.697 21 1HG LYS 5 HG2 LYS 5 -2.796 -11.666 -11.754 22 2HG LYS 5 HG3 LYS 5 -3.344 -12.127 -13.380 23 1HD LYS 5 HD2 LYS 5 -1.316 -13.514 -13.689 24 2HD LYS 5 HD3 LYS 5 -0.789 -13.156 -12.042 25 1HE LYS 5 HE2 LYS 5 -3.511 -14.408 -12.694 26 2HE LYS 5 HE3 LYS 5 -2.060 -15.396 -12.508 27 1HZ LYS 5 HZ1 LYS 5 -3.421 -15.168 -10.489 28 2HZ LYS 5 HZ2 LYS 5 -1.854 -14.729 -10.281 29 3HZ LYS 5 HZ3 LYS 5 -3.025 -13.577 -10.401 30 H TYR 6 H TYR 6 -4.745 -8.581 -13.376 31 HA TYR 6 HA TYR 6 -4.344 -6.950 -11.124 32 1HB TYR 6 HB2 TYR 6 -6.929 -8.307 -11.967 33 2HB TYR 6 HB3 TYR 6 -6.724 -6.814 -11.035 34 HD1 TYR 6 HD1 TYR 6 -6.493 -4.718 -12.111 35 HD2 TYR 6 HD2 TYR 6 -6.640 -8.328 -14.422 36 HE1 TYR 6 HE1 TYR 6 -6.542 -3.365 -14.209 37 HE2 TYR 6 HE2 TYR 6 -6.741 -7.000 -16.504 38 HH TYR 6 HH TYR 6 -6.649 -4.886 -17.437 39 H TYR 7 H TYR 7 -5.291 -7.261 -8.909 40 HA TYR 7 HA TYR 7 -5.164 -10.127 -8.018 41 1HB TYR 7 HB2 TYR 7 -4.243 -7.731 -6.440 42 2HB TYR 7 HB3 TYR 7 -4.054 -9.435 -6.036 43 HD1 TYR 7 HD1 TYR 7 -2.707 -6.569 -7.802 44 HD2 TYR 7 HD2 TYR 7 -2.408 -10.840 -7.380 45 HE1 TYR 7 HE1 TYR 7 -0.637 -6.543 -9.120 46 HE2 TYR 7 HE2 TYR 7 -0.275 -10.810 -8.669 47 HH TYR 7 HH TYR 7 1.030 -7.752 -10.066 48 H THR 8 H THR 8 -6.788 -10.799 -6.688 49 HA THR 8 HA THR 8 -9.188 -9.160 -6.474 50 HB THR 8 HB THR 8 -10.079 -11.161 -5.315 51 HG1 THR 8 HG1 THR 8 -8.141 -12.956 -5.590 52 1HG2 THR 8 HG21 THR 8 -9.925 -12.751 -7.185 53 2HG2 THR 8 HG22 THR 8 -10.178 -11.095 -7.744 54 3HG2 THR 8 HG23 THR 8 -8.569 -11.838 -7.881 55 H LEU 9 H LEU 9 -10.224 -8.664 -4.385 56 HA LEU 9 HA LEU 9 -8.562 -7.444 -2.526 57 1HB LEU 9 HB2 LEU 9 -11.315 -7.808 -2.901 58 2HB LEU 9 HB3 LEU 9 -11.046 -8.552 -1.359 59 HG LEU 9 HG LEU 9 -10.311 -5.712 -2.186 60 1HD1 LEU 9 HD11 LEU 9 -12.184 -6.389 0.086 61 2HD1 LEU 9 HD12 LEU 9 -12.104 -4.939 -0.937 62 3HD1 LEU 9 HD13 LEU 9 -12.784 -6.444 -1.571 63 1HD2 LEU 9 HD21 LEU 9 -8.614 -6.439 -0.538 64 2HD2 LEU 9 HD22 LEU 9 -9.755 -5.339 0.242 65 3HD2 LEU 9 HD23 LEU 9 -9.889 -7.088 0.511 66 H GLU 10 H GLU 10 -9.825 -10.770 -2.634 67 HA GLU 10 HA GLU 10 -8.858 -11.681 -0.151 68 1HB GLU 10 HB2 GLU 10 -10.450 -12.864 -1.699 69 2HB GLU 10 HB3 GLU 10 -9.076 -13.338 -2.681 70 1HG GLU 10 HG2 GLU 10 -9.640 -15.153 -1.153 71 2HG GLU 10 HG3 GLU 10 -8.053 -14.509 -0.744 72 H GLU 11 H GLU 11 -7.373 -12.097 -3.417 73 HA GLU 11 HA GLU 11 -4.979 -13.242 -2.533 74 1HB GLU 11 HB2 GLU 11 -5.876 -11.912 -5.010 75 2HB GLU 11 HB3 GLU 11 -4.200 -11.550 -4.665 76 1HG GLU 11 HG2 GLU 11 -4.311 -13.555 -6.031 77 2HG GLU 11 HG3 GLU 11 -3.721 -13.985 -4.419 78 H ILE 12 H ILE 12 -5.766 -9.762 -2.844 79 HA ILE 12 HA ILE 12 -3.187 -8.910 -1.942 80 HB ILE 12 HB ILE 12 -5.873 -7.473 -1.869 81 1HG1 ILE 12 HG12 ILE 12 -3.659 -7.096 -3.923 82 2HG1 ILE 12 HG13 ILE 12 -4.879 -8.336 -4.155 83 1HG2 ILE 12 HG21 ILE 12 -4.198 -5.433 -2.039 84 2HG2 ILE 12 HG22 ILE 12 -4.475 -6.189 -0.460 85 3HG2 ILE 12 HG23 ILE 12 -3.022 -6.582 -1.405 86 1HD1 ILE 12 HD11 ILE 12 -5.644 -6.390 -5.323 87 2HD1 ILE 12 HD12 ILE 12 -6.683 -6.639 -3.929 88 3HD1 ILE 12 HD13 ILE 12 -5.421 -5.383 -3.895 89 H GLN 13 H GLN 13 -6.257 -9.460 -0.133 90 HA GLN 13 HA GLN 13 -5.415 -8.762 2.442 91 1HB GLN 13 HB2 GLN 13 -7.453 -10.647 1.274 92 2HB GLN 13 HB3 GLN 13 -7.090 -10.758 2.968 93 1HG GLN 13 HG2 GLN 13 -7.539 -7.954 2.164 94 2HG GLN 13 HG3 GLN 13 -8.882 -9.002 1.729 95 1HE2 GLN 13 HE21 GLN 13 -10.461 -8.829 3.276 96 2HE2 GLN 13 HE22 GLN 13 -10.145 -8.883 5.003 97 H LYS 14 H LYS 14 -4.971 -11.853 0.708 98 HA LYS 14 HA LYS 14 -3.861 -13.352 2.812 99 1HB LYS 14 HB2 LYS 14 -3.305 -13.346 -0.169 100 2HB LYS 14 HB3 LYS 14 -2.616 -14.546 0.904 101 1HG LYS 14 HG2 LYS 14 -5.589 -14.098 1.124 102 2HG LYS 14 HG3 LYS 14 -5.031 -14.791 -0.392 103 1HD LYS 14 HD2 LYS 14 -4.290 -16.743 0.549 104 2HD LYS 14 HD3 LYS 14 -3.877 -15.989 2.104 105 1HE LYS 14 HE2 LYS 14 -6.263 -15.770 2.687 106 2HE LYS 14 HE3 LYS 14 -6.738 -16.519 1.158 107 1HZ LYS 14 HZ1 LYS 14 -5.708 -18.532 1.850 108 2HZ LYS 14 HZ2 LYS 14 -5.057 -17.835 3.195 109 3HZ LYS 14 HZ3 LYS 14 -6.686 -18.026 3.073 110 H HIS 15 H HIS 15 -2.479 -10.608 1.154 111 HA HIS 15 HA HIS 15 0.242 -11.093 2.269 112 1HB HIS 15 HB2 HIS 15 -0.692 -9.117 0.124 113 2HB HIS 15 HB3 HIS 15 0.909 -9.332 0.739 114 HD1 HIS 15 HD1 HIS 15 2.210 -10.096 -1.258 115 HD2 HIS 15 HD2 HIS 15 -1.349 -12.233 -0.582 116 HE1 HIS 15 HE1 HIS 15 2.164 -12.020 -2.942 117 H ASN 16 H ASN 16 -0.935 -10.697 4.392 118 HA ASN 16 HA ASN 16 -1.047 -7.767 5.046 119 1HB ASN 16 HB2 ASN 16 -2.802 -8.159 6.618 120 2HB ASN 16 HB3 ASN 16 -3.328 -8.783 5.068 121 1HD2 ASN 16 HD21 ASN 16 -3.028 -11.171 4.732 122 2HD2 ASN 16 HD22 ASN 16 -3.184 -12.258 6.095 123 H ASN 17 H ASN 17 1.448 -9.120 5.270 124 HA ASN 17 HA ASN 17 1.837 -8.912 8.152 125 1HB ASN 17 HB2 ASN 17 1.074 -11.420 7.346 126 2HB ASN 17 HB3 ASN 17 2.814 -11.555 7.113 127 1HD2 ASN 17 HD21 ASN 17 4.214 -11.443 9.119 128 2HD2 ASN 17 HD22 ASN 17 3.413 -11.591 10.665 129 H SER 18 H SER 18 4.251 -9.527 8.676 130 HA SER 18 HA SER 18 6.002 -7.894 7.155 131 1HB SER 18 HB2 SER 18 7.606 -9.371 8.788 132 2HB SER 18 HB3 SER 18 6.656 -7.997 9.331 133 HG SER 18 HG SER 18 6.433 -10.187 10.447 134 H LYS 19 H LYS 19 5.463 -8.919 5.100 135 HA LYS 19 HA LYS 19 7.659 -10.530 4.152 136 1HB LYS 19 HB2 LYS 19 5.104 -11.897 4.839 137 2HB LYS 19 HB3 LYS 19 5.476 -12.028 3.135 138 1HG LYS 19 HG2 LYS 19 7.927 -12.708 4.070 139 2HG LYS 19 HG3 LYS 19 6.972 -13.107 5.499 140 1HD LYS 19 HD2 LYS 19 7.003 -15.115 4.251 141 2HD LYS 19 HD3 LYS 19 5.427 -14.407 3.850 142 1HE LYS 19 HE2 LYS 19 6.571 -13.370 1.769 143 2HE LYS 19 HE3 LYS 19 8.010 -14.304 2.182 144 1HZ LYS 19 HZ1 LYS 19 6.832 -16.291 1.785 145 2HZ LYS 19 HZ2 LYS 19 5.378 -15.522 1.673 146 3HZ LYS 19 HZ3 LYS 19 6.518 -15.296 0.515 147 H SER 20 H SER 20 4.336 -9.323 3.542 148 HA SER 20 HA SER 20 5.222 -8.097 1.021 149 1HB SER 20 HB2 SER 20 4.717 -10.507 0.557 150 2HB SER 20 HB3 SER 20 3.040 -10.186 1.018 151 HG SER 20 HG SER 20 4.463 -8.691 -0.968 152 H THR 21 H THR 21 4.742 -6.274 2.621 153 HA THR 21 HA THR 21 1.947 -5.798 3.272 154 HB THR 21 HB THR 21 4.394 -4.049 3.315 155 HG1 THR 21 HG1 THR 21 2.569 -5.025 5.255 156 1HG2 THR 21 HG21 THR 21 2.867 -2.362 2.835 157 2HG2 THR 21 HG22 THR 21 1.510 -3.193 3.601 158 3HG2 THR 21 HG23 THR 21 2.775 -2.450 4.594 159 H TRP 22 H TRP 22 0.873 -6.313 1.436 160 HA TRP 22 HA TRP 22 0.879 -4.373 -0.829 161 1HB TRP 22 HB2 TRP 22 -0.657 -6.941 -0.275 162 2HB TRP 22 HB3 TRP 22 -0.935 -5.882 -1.658 163 HD1 TRP 22 HD1 TRP 22 2.681 -6.330 -0.881 164 HE1 TRP 22 HE1 TRP 22 3.807 -7.503 -2.747 165 HE3 TRP 22 HE3 TRP 22 -1.502 -8.073 -3.221 166 HZ2 TRP 22 HZ2 TRP 22 2.999 -9.230 -5.003 167 HZ3 TRP 22 HZ3 TRP 22 -1.301 -9.605 -5.138 168 HH2 TRP 22 HH2 TRP 22 0.947 -10.140 -6.096 169 H LEU 23 H LEU 23 -1.529 -3.705 -1.402 170 HA LEU 23 HA LEU 23 -3.575 -3.562 0.447 171 1HB LEU 23 HB2 LEU 23 -3.304 -1.077 1.108 172 2HB LEU 23 HB3 LEU 23 -2.464 -2.298 2.014 173 HG LEU 23 HG LEU 23 -0.373 -1.791 0.529 174 1HD1 LEU 23 HD11 LEU 23 -2.075 0.615 -0.071 175 2HD1 LEU 23 HD12 LEU 23 -0.339 0.516 -0.370 176 3HD1 LEU 23 HD13 LEU 23 -1.435 -0.536 -1.270 177 1HD2 LEU 23 HD21 LEU 23 -0.394 -1.178 2.804 178 2HD2 LEU 23 HD22 LEU 23 0.118 0.248 1.881 179 3HD2 LEU 23 HD23 LEU 23 -1.556 0.139 2.515 180 H ILE 24 H ILE 24 -5.123 -1.720 -0.216 181 HA ILE 24 HA ILE 24 -4.841 -1.223 -3.167 182 HB ILE 24 HB ILE 24 -7.350 -1.676 -1.559 183 1HG1 ILE 24 HG12 ILE 24 -6.395 -3.336 -3.902 184 2HG1 ILE 24 HG13 ILE 24 -5.706 -3.643 -2.308 185 1HG2 ILE 24 HG21 ILE 24 -6.934 -1.066 -4.521 186 2HG2 ILE 24 HG22 ILE 24 -8.462 -1.621 -3.813 187 3HG2 ILE 24 HG23 ILE 24 -7.802 -0.054 -3.347 188 1HD1 ILE 24 HD11 ILE 24 -7.590 -5.118 -2.523 189 2HD1 ILE 24 HD12 ILE 24 -7.951 -3.900 -1.299 190 3HD1 ILE 24 HD13 ILE 24 -8.676 -3.773 -2.911 191 H LEU 25 H LEU 25 -4.399 0.777 -3.629 192 HA LEU 25 HA LEU 25 -5.631 3.070 -2.133 193 1HB LEU 25 HB2 LEU 25 -2.874 2.585 -3.164 194 2HB LEU 25 HB3 LEU 25 -3.541 4.212 -3.213 195 HG LEU 25 HG LEU 25 -3.403 4.622 -1.074 196 1HD1 LEU 25 HD11 LEU 25 -3.328 2.907 0.698 197 2HD1 LEU 25 HD12 LEU 25 -4.834 3.062 -0.209 198 3HD1 LEU 25 HD13 LEU 25 -3.762 1.704 -0.552 199 1HD2 LEU 25 HD21 LEU 25 -1.299 3.507 -0.116 200 2HD2 LEU 25 HD22 LEU 25 -1.221 2.568 -1.612 201 3HD2 LEU 25 HD23 LEU 25 -1.165 4.348 -1.660 202 H HIS 26 H HIS 26 -7.362 3.415 -3.313 203 HA HIS 26 HA HIS 26 -8.603 4.237 -4.997 204 1HB HIS 26 HB2 HIS 26 -6.064 5.102 -6.388 205 2HB HIS 26 HB3 HIS 26 -7.686 5.762 -6.575 206 HD1 HIS 26 HD1 HIS 26 -8.507 7.449 -4.561 207 HD2 HIS 26 HD2 HIS 26 -4.612 5.910 -4.373 208 HE1 HIS 26 HE1 HIS 26 -7.242 8.899 -2.884 209 H TYR 27 H TYR 27 -8.311 1.557 -5.137 210 HA TYR 27 HA TYR 27 -8.695 -0.223 -6.427 211 1HB TYR 27 HB2 TYR 27 -8.897 1.640 -8.821 212 2HB TYR 27 HB3 TYR 27 -9.516 0.011 -8.660 213 HD1 TYR 27 HD1 TYR 27 -11.527 -0.494 -7.371 214 HD2 TYR 27 HD2 TYR 27 -10.128 3.551 -7.800 215 HE1 TYR 27 HE1 TYR 27 -13.591 0.322 -6.293 216 HE2 TYR 27 HE2 TYR 27 -12.194 4.373 -6.721 217 HH TYR 27 HH TYR 27 -14.138 3.784 -5.596 218 H LYS 28 H LYS 28 -5.841 1.039 -6.199 219 HA LYS 28 HA LYS 28 -4.574 -0.676 -8.279 220 1HB LYS 28 HB2 LYS 28 -3.557 1.976 -7.251 221 2HB LYS 28 HB3 LYS 28 -2.813 0.953 -8.496 222 1HG LYS 28 HG2 LYS 28 -5.037 1.276 -9.806 223 2HG LYS 28 HG3 LYS 28 -5.463 2.425 -8.552 224 1HD LYS 28 HD2 LYS 28 -3.114 3.516 -9.202 225 2HD LYS 28 HD3 LYS 28 -3.431 2.651 -10.727 226 1HE LYS 28 HE2 LYS 28 -5.786 3.697 -10.680 227 2HE LYS 28 HE3 LYS 28 -5.250 4.665 -9.294 228 1HZ LYS 28 HZ1 LYS 28 -5.034 5.927 -11.246 229 2HZ LYS 28 HZ2 LYS 28 -3.505 5.549 -10.765 230 3HZ LYS 28 HZ3 LYS 28 -4.206 4.746 -12.034 231 H VAL 29 H VAL 29 -3.045 -2.063 -7.563 232 HA VAL 29 HA VAL 29 -2.638 -2.251 -4.687 233 HB VAL 29 HB VAL 29 -1.708 -4.224 -6.778 234 1HG1 VAL 29 HG11 VAL 29 -1.907 -5.817 -4.941 235 2HG1 VAL 29 HG12 VAL 29 -0.921 -4.463 -4.371 236 3HG1 VAL 29 HG13 VAL 29 -2.619 -4.584 -3.883 237 1HG2 VAL 29 HG21 VAL 29 -3.869 -5.413 -6.299 238 2HG2 VAL 29 HG22 VAL 29 -4.473 -3.912 -5.570 239 3HG2 VAL 29 HG23 VAL 29 -4.022 -3.966 -7.291 240 H TYR 30 H TYR 30 -0.727 -2.022 -3.671 241 HA TYR 30 HA TYR 30 1.732 -1.308 -5.225 242 1HB TYR 30 HB2 TYR 30 0.514 0.012 -2.767 243 2HB TYR 30 HB3 TYR 30 2.103 0.387 -3.387 244 HD1 TYR 30 HD1 TYR 30 2.256 1.298 -5.822 245 HD2 TYR 30 HD2 TYR 30 -1.487 0.849 -3.766 246 HE1 TYR 30 HE1 TYR 30 1.140 2.791 -7.486 247 HE2 TYR 30 HE2 TYR 30 -2.537 2.458 -5.327 248 HH TYR 30 HH TYR 30 -2.180 3.948 -6.993 249 H ASP 31 H ASP 31 3.302 -2.768 -4.693 250 HA ASP 31 HA ASP 31 3.265 -4.065 -2.007 251 1HB ASP 31 HB2 ASP 31 3.950 -5.470 -3.945 252 2HB ASP 31 HB3 ASP 31 5.311 -4.372 -4.230 253 H LEU 32 H LEU 32 4.095 -2.850 -0.394 254 HA LEU 32 HA LEU 32 6.421 -1.078 -0.991 255 1HB LEU 32 HB2 LEU 32 4.389 -0.654 1.156 256 2HB LEU 32 HB3 LEU 32 5.621 0.476 0.719 257 HG LEU 32 HG LEU 32 3.749 -0.178 -1.532 258 1HD1 LEU 32 HD11 LEU 32 2.784 1.568 0.742 259 2HD1 LEU 32 HD12 LEU 32 1.927 1.099 -0.753 260 3HD1 LEU 32 HD13 LEU 32 2.262 -0.110 0.470 261 1HD2 LEU 32 HD21 LEU 32 4.246 2.003 -2.184 262 2HD2 LEU 32 HD22 LEU 32 4.705 2.505 -0.532 263 3HD2 LEU 32 HD23 LEU 32 5.749 1.424 -1.474 264 H THR 33 H THR 33 6.212 -3.958 -0.283 265 HA THR 33 HA THR 33 6.433 -4.223 2.559 266 HB THR 33 HB THR 33 5.755 -5.939 0.725 267 HG1 THR 33 HG1 THR 33 7.395 -6.619 2.954 268 1HG2 THR 33 HG21 THR 33 8.690 -6.738 0.977 269 2HG2 THR 33 HG22 THR 33 7.400 -7.571 0.096 270 3HG2 THR 33 HG23 THR 33 7.975 -6.004 -0.472 271 H LYS 34 H LYS 34 8.748 -3.739 -0.031 272 HA LYS 34 HA LYS 34 11.012 -3.871 1.860 273 1HB LYS 34 HB2 LYS 34 10.659 -4.634 -0.869 274 2HB LYS 34 HB3 LYS 34 11.587 -3.136 -0.933 275 1HG LYS 34 HG2 LYS 34 13.169 -4.863 -0.725 276 2HG LYS 34 HG3 LYS 34 13.061 -4.122 0.884 277 1HD LYS 34 HD2 LYS 34 11.334 -6.029 1.425 278 2HD LYS 34 HD3 LYS 34 11.853 -6.747 -0.106 279 1HE LYS 34 HE2 LYS 34 14.281 -6.545 0.866 280 2HE LYS 34 HE3 LYS 34 13.494 -6.208 2.417 281 1HZ LYS 34 HZ1 LYS 34 13.190 -8.649 0.794 282 2HZ LYS 34 HZ2 LYS 34 14.013 -8.512 2.210 283 3HZ LYS 34 HZ3 LYS 34 12.375 -8.355 2.197 284 H PHE 35 H PHE 35 8.738 -1.844 1.869 285 HA PHE 35 HA PHE 35 10.517 0.491 1.954 286 1HB PHE 35 HB2 PHE 35 8.667 0.138 -0.052 287 2HB PHE 35 HB3 PHE 35 7.687 0.850 1.162 288 HD1 PHE 35 HD1 PHE 35 11.281 1.481 0.099 289 HD2 PHE 35 HD2 PHE 35 7.321 3.143 0.617 290 HE1 PHE 35 HE1 PHE 35 12.150 3.709 -0.433 291 HE2 PHE 35 HE2 PHE 35 8.206 5.387 0.040 292 HZ PHE 35 HZ PHE 35 10.620 5.675 -0.501 293 H LEU 36 H LEU 36 8.984 -1.565 3.904 294 HA LEU 36 HA LEU 36 7.055 0.039 5.220 295 1HB LEU 36 HB2 LEU 36 8.767 -2.255 6.285 296 2HB LEU 36 HB3 LEU 36 7.370 -1.593 7.131 297 HG LEU 36 HG LEU 36 7.192 -2.711 4.311 298 1HD1 LEU 36 HD11 LEU 36 6.625 -4.132 6.936 299 2HD1 LEU 36 HD12 LEU 36 6.287 -4.758 5.303 300 3HD1 LEU 36 HD13 LEU 36 7.961 -4.477 5.816 301 1HD2 LEU 36 HD21 LEU 36 5.085 -1.988 4.373 302 2HD2 LEU 36 HD22 LEU 36 4.778 -2.849 5.906 303 3HD2 LEU 36 HD23 LEU 36 5.375 -1.197 5.926 304 H GLU 37 H GLU 37 10.399 -0.657 6.208 305 HA GLU 37 HA GLU 37 10.384 1.302 8.323 306 1HB GLU 37 HB2 GLU 37 11.880 -0.941 7.717 307 2HB GLU 37 HB3 GLU 37 13.016 0.341 7.281 308 1HG GLU 37 HG2 GLU 37 12.871 1.244 9.552 309 2HG GLU 37 HG3 GLU 37 11.542 0.136 9.951 310 H GLU 38 H GLU 38 11.395 1.257 4.932 311 HA GLU 38 HA GLU 38 12.921 3.665 4.878 312 1HB GLU 38 HB2 GLU 38 11.294 2.299 2.731 313 2HB GLU 38 HB3 GLU 38 12.508 3.506 2.431 314 1HG GLU 38 HG2 GLU 38 13.667 1.333 4.037 315 2HG GLU 38 HG3 GLU 38 12.900 0.695 2.574 316 H HIS 39 HN HIS 39 9.471 2.922 4.233 317 HA HIS 39 HA HIS 39 8.710 5.351 3.181 318 1HB HIS 39 HB2 HIS 39 7.222 3.530 3.011 319 2HB HIS 39 HB3 HIS 39 7.180 3.300 4.765 320 HD1 HIS 39 HND HIS 39 5.970 5.211 6.204 321 HD2 HIS 39 HD HIS 39 5.400 5.316 2.045 322 HE1 HIS 39 HE HIS 39 4.019 6.733 5.821 323 HA PRO 40 HA PRO 40 9.247 7.853 6.900 324 1HB PRO 40 HB2 PRO 40 8.399 10.273 5.955 325 2HB PRO 40 HB3 PRO 40 9.945 9.515 5.473 326 1HG PRO 40 HG2 PRO 40 7.319 9.453 4.004 327 2HG PRO 40 HG3 PRO 40 8.930 9.836 3.324 328 1HD PRO 40 HD2 PRO 40 7.750 7.381 3.135 329 2HD PRO 40 HD3 PRO 40 9.527 7.543 3.313 330 H GLY 41 H GLY 41 7.688 6.557 7.958 331 1HA GLY 41 HA1 GLY 41 5.395 8.072 8.922 332 2HA GLY 41 HA2 GLY 41 4.917 6.650 7.977 333 H GLY 42 H GLY 42 7.008 4.868 8.683 334 1HA GLY 42 HA1 GLY 42 7.961 3.851 10.646 335 2HA GLY 42 HA2 GLY 42 6.642 4.476 11.638 336 H GLU 43 H GLU 43 7.735 1.688 10.445 337 HA GLU 43 HA GLU 43 5.534 0.446 9.195 338 1HB GLU 43 HB2 GLU 43 6.649 -1.643 9.782 339 2HB GLU 43 HB3 GLU 43 7.734 -0.428 9.125 340 1HG GLU 43 HG2 GLU 43 9.106 -1.080 10.796 341 2HG GLU 43 HG3 GLU 43 8.182 0.070 11.760 342 H ALA 44 H ALA 44 3.628 0.618 10.046 343 HA ALA 44 HA ALA 44 2.636 -0.826 12.277 344 1HB ALA 44 HB1 ALA 44 1.897 1.233 13.622 345 2HB ALA 44 HB2 ALA 44 3.593 0.777 13.811 346 3HB ALA 44 HB3 ALA 44 3.160 2.146 12.764 347 H VAL 45 H VAL 45 2.061 2.484 10.938 348 HA VAL 45 HA VAL 45 -0.636 1.810 10.257 349 HB VAL 45 HB VAL 45 0.077 4.105 10.700 350 1HG1 VAL 45 HG11 VAL 45 2.207 4.137 9.419 351 2HG1 VAL 45 HG12 VAL 45 1.270 4.105 7.902 352 3HG1 VAL 45 HG13 VAL 45 1.116 5.471 9.016 353 1HG2 VAL 45 HG21 VAL 45 -1.458 3.361 8.204 354 2HG2 VAL 45 HG22 VAL 45 -2.042 3.929 9.772 355 3HG2 VAL 45 HG23 VAL 45 -1.246 5.059 8.668 356 H LEU 46 H LEU 46 2.466 1.956 8.000 357 HA LEU 46 HA LEU 46 0.781 1.104 5.900 358 1HB LEU 46 HB2 LEU 46 3.720 0.448 6.275 359 2HB LEU 46 HB3 LEU 46 2.797 0.487 4.766 360 HG LEU 46 HG LEU 46 2.230 2.974 5.981 361 1HD1 LEU 46 HD11 LEU 46 4.138 3.942 6.822 362 2HD1 LEU 46 HD12 LEU 46 4.260 2.334 7.514 363 3HD1 LEU 46 HD13 LEU 46 5.227 2.722 6.095 364 1HD2 LEU 46 HD21 LEU 46 2.538 2.440 3.573 365 2HD2 LEU 46 HD22 LEU 46 3.262 3.938 4.132 366 3HD2 LEU 46 HD23 LEU 46 4.298 2.518 3.832 367 H ARG 47 H ARG 47 1.951 -0.807 8.584 368 HA ARG 47 HA ARG 47 1.709 -3.375 7.200 369 1HB ARG 47 HB2 ARG 47 3.345 -2.860 9.032 370 2HB ARG 47 HB3 ARG 47 1.991 -2.774 10.153 371 1HG ARG 47 HG2 ARG 47 2.471 -4.949 10.513 372 2HG ARG 47 HG3 ARG 47 1.411 -5.203 9.148 373 1HD ARG 47 HD2 ARG 47 3.038 -6.262 8.051 374 2HD ARG 47 HD3 ARG 47 4.045 -4.836 8.026 375 HE ARG 47 HE ARG 47 4.300 -7.190 9.716 376 1HH1 ARG 47 HH11 ARG 47 6.610 -5.671 11.955 377 2HH1 ARG 47 HH12 ARG 47 5.815 -7.179 11.567 378 1HH2 ARG 47 HH21 ARG 47 6.114 -3.735 10.875 379 2HH2 ARG 47 HH22 ARG 47 4.928 -3.730 9.600 380 H ALA 48 H ALA 48 -0.117 -1.505 9.681 381 HA ALA 48 HA ALA 48 -1.997 -3.529 10.319 382 1HB ALA 48 HB1 ALA 48 -3.318 -1.641 11.262 383 2HB ALA 48 HB2 ALA 48 -1.602 -1.560 11.725 384 3HB ALA 48 HB3 ALA 48 -2.229 -0.490 10.453 385 H GLN 49 H GLN 49 -2.173 -0.801 8.029 386 HA GLN 49 HA GLN 49 -4.753 -1.568 6.933 387 1HB GLN 49 HB2 GLN 49 -2.584 0.483 6.527 388 2HB GLN 49 HB3 GLN 49 -3.711 0.223 5.234 389 1HG GLN 49 HG2 GLN 49 -4.529 2.026 6.603 390 2HG GLN 49 HG3 GLN 49 -5.640 0.653 6.675 391 1HE2 GLN 49 HE21 GLN 49 -4.169 3.038 8.581 392 2HE2 GLN 49 HE22 GLN 49 -4.280 2.193 10.115 393 H ALA 50 H ALA 50 -1.638 -2.868 6.529 394 HA ALA 50 HA ALA 50 -1.584 -3.305 3.757 395 1HB ALA 50 HB1 ALA 50 -0.555 -5.317 5.794 396 2HB ALA 50 HB2 ALA 50 -0.001 -5.046 4.140 397 3HB ALA 50 HB3 ALA 50 0.308 -3.820 5.385 398 H GLY 51 H GLY 51 -2.068 -5.267 2.573 399 1HA GLY 51 HA1 GLY 51 -3.591 -6.720 1.732 400 2HA GLY 51 HA2 GLY 51 -3.514 -7.511 3.310 401 H GLY 52 H GLY 52 -4.849 -4.407 1.987 402 1HA GLY 52 HA1 GLY 52 -7.584 -5.096 2.296 403 2HA GLY 52 HA2 GLY 52 -7.016 -4.198 3.729 404 H ASP 53 H ASP 53 -8.772 -2.707 2.627 405 HA ASP 53 HA ASP 53 -7.670 -0.999 0.517 406 1HB ASP 53 HB2 ASP 53 -9.623 0.262 0.698 407 2HB ASP 53 HB3 ASP 53 -10.188 -1.397 0.934 408 H ALA 54 H ALA 54 -6.553 0.878 0.924 409 HA ALA 54 HA ALA 54 -6.751 1.989 3.664 410 1HB ALA 54 HB1 ALA 54 -4.598 0.545 3.375 411 2HB ALA 54 HB2 ALA 54 -4.000 1.877 2.402 412 3HB ALA 54 HB3 ALA 54 -4.461 2.192 4.076 413 H THR 55 H THR 55 -7.899 2.522 1.002 414 HA THR 55 HA THR 55 -6.399 4.647 -0.240 415 HB THR 55 HB THR 55 -9.368 3.992 -0.500 416 HG1 THR 55 HG1 THR 55 -7.533 2.331 -1.057 417 1HG2 THR 55 HG21 THR 55 -9.026 5.043 -2.740 418 2HG2 THR 55 HG22 THR 55 -8.693 6.205 -1.441 419 3HG2 THR 55 HG23 THR 55 -7.343 5.406 -2.279 420 H ALA 56 H ALA 56 -9.309 4.636 1.859 421 HA ALA 56 HA ALA 56 -9.495 7.439 2.221 422 1HB ALA 56 HB1 ALA 56 -10.904 6.880 4.136 423 2HB ALA 56 HB2 ALA 56 -11.301 5.869 2.734 424 3HB ALA 56 HB3 ALA 56 -10.355 5.189 4.078 425 H ASN 57 H ASN 57 -7.617 4.958 3.922 426 HA ASN 57 HA ASN 57 -6.742 6.576 6.113 427 1HB ASN 57 HB2 ASN 57 -6.488 3.873 5.266 428 2HB ASN 57 HB3 ASN 57 -4.842 4.473 5.311 429 1HD2 ASN 57 HD21 ASN 57 -7.811 3.895 7.215 430 2HD2 ASN 57 HD22 ASN 57 -6.991 3.898 8.764 431 H PHE 58 H PHE 58 -5.189 5.651 3.060 432 HA PHE 58 HA PHE 58 -2.794 7.108 3.185 433 1HB PHE 58 HB2 PHE 58 -3.248 5.364 1.559 434 2HB PHE 58 HB3 PHE 58 -4.557 6.283 0.844 435 HD1 PHE 58 HD1 PHE 58 -4.116 8.292 -0.565 436 HD2 PHE 58 HD2 PHE 58 -0.952 5.819 0.966 437 HE1 PHE 58 HE1 PHE 58 -2.490 9.444 -2.031 438 HE2 PHE 58 HE2 PHE 58 0.644 6.880 -0.628 439 HZ PHE 58 HZ PHE 58 -0.126 8.672 -2.138 440 H GLU 59 H GLU 59 -5.945 8.071 1.677 441 HA GLU 59 HA GLU 59 -4.918 10.646 0.948 442 1HB GLU 59 HB2 GLU 59 -7.107 11.109 0.095 443 2HB GLU 59 HB3 GLU 59 -6.571 9.479 -0.341 444 1HG GLU 59 HG2 GLU 59 -8.640 8.860 0.287 445 2HG GLU 59 HG3 GLU 59 -7.950 8.917 1.910 446 H ALA 60 H ALA 60 -6.900 9.500 3.686 447 HA ALA 60 HA ALA 60 -7.480 11.891 4.936 448 1HB ALA 60 HB1 ALA 60 -6.654 9.227 6.167 449 2HB ALA 60 HB2 ALA 60 -7.264 10.600 7.108 450 3HB ALA 60 HB3 ALA 60 -8.293 9.844 5.880 451 H VAL 61 H VAL 61 -4.399 10.032 5.269 452 HA VAL 61 HA VAL 61 -3.098 12.131 6.796 453 HB VAL 61 HB VAL 61 -1.956 9.841 5.143 454 1HG1 VAL 61 HG11 VAL 61 -0.083 10.562 7.080 455 2HG1 VAL 61 HG12 VAL 61 0.033 10.909 5.349 456 3HG1 VAL 61 HG13 VAL 61 -0.609 12.126 6.470 457 1HG2 VAL 61 HG21 VAL 61 -1.602 8.803 7.354 458 2HG2 VAL 61 HG22 VAL 61 -2.359 10.201 8.147 459 3HG2 VAL 61 HG23 VAL 61 -3.318 9.135 7.101 460 H GLY 62 H GLY 62 -3.067 11.222 3.317 461 1HA GLY 62 HA1 GLY 62 -3.016 12.713 1.522 462 2HA GLY 62 HA2 GLY 62 -2.565 14.061 2.577 463 H HIS 63 HN HIS 63 -1.220 13.615 0.173 464 HA HIS 63 HA HIS 63 1.504 12.788 0.829 465 1HB HIS 63 HB2 HIS 63 -0.457 11.156 -0.861 466 2HB HIS 63 HB3 HIS 63 1.277 11.073 -1.098 467 HD1 HIS 63 HND HIS 63 -1.341 9.825 1.467 468 HD2 HIS 63 HD HIS 63 2.767 9.838 0.606 469 HE1 HIS 63 HE HIS 63 -0.303 8.046 2.935 470 H SER 64 H SER 64 2.927 13.489 -0.879 471 HA SER 64 HA SER 64 1.747 15.616 -2.570 472 1HB SER 64 HB2 SER 64 3.702 16.092 -1.043 473 2HB SER 64 HB3 SER 64 4.686 15.028 -2.076 474 HG SER 64 HG SER 64 4.877 17.120 -2.859 475 H THR 65 H THR 65 3.250 15.948 -4.625 476 HA THR 65 HA THR 65 2.456 14.117 -6.641 477 HB THR 65 HB THR 65 4.428 15.389 -7.853 478 HG1 THR 65 HG1 THR 65 5.431 16.883 -6.666 479 1HG2 THR 65 HG21 THR 65 3.098 17.643 -7.601 480 2HG2 THR 65 HG22 THR 65 2.298 16.241 -8.335 481 3HG2 THR 65 HG23 THR 65 1.956 16.677 -6.648 482 H ASP 66 H ASP 66 5.583 14.590 -4.985 483 HA ASP 66 HA ASP 66 7.126 12.627 -6.178 484 1HB ASP 66 HB2 ASP 66 7.540 14.325 -4.125 485 2HB ASP 66 HB3 ASP 66 7.203 12.905 -3.140 486 H ALA 67 H ALA 67 4.901 12.196 -3.464 487 HA ALA 67 HA ALA 67 5.207 9.317 -3.242 488 1HB ALA 67 HB1 ALA 67 2.855 9.556 -2.138 489 2HB ALA 67 HB2 ALA 67 4.266 10.234 -1.315 490 3HB ALA 67 HB3 ALA 67 3.187 11.298 -2.205 491 H ARG 68 H ARG 68 2.868 11.449 -4.970 492 HA ARG 68 HA ARG 68 1.161 9.440 -5.867 493 1HB ARG 68 HB2 ARG 68 1.935 12.000 -7.311 494 2HB ARG 68 HB3 ARG 68 0.585 10.986 -7.744 495 1HG ARG 68 HG2 ARG 68 0.810 12.215 -4.967 496 2HG ARG 68 HG3 ARG 68 0.072 13.057 -6.334 497 1HD ARG 68 HD2 ARG 68 -1.548 11.268 -6.595 498 2HD ARG 68 HD3 ARG 68 -0.768 10.344 -5.279 499 HE ARG 68 HE ARG 68 -1.538 12.978 -4.405 500 1HH1 ARG 68 HH11 ARG 68 -4.403 11.898 -2.663 501 2HH1 ARG 68 HH12 ARG 68 -3.267 13.187 -2.892 502 1HH2 ARG 68 HH21 ARG 68 -4.131 9.853 -3.891 503 2HH2 ARG 68 HH22 ARG 68 -2.834 9.763 -5.038 504 H GLU 69 H GLU 69 4.310 10.557 -7.113 505 HA GLU 69 HA GLU 69 4.257 9.084 -9.647 506 1HB GLU 69 HB2 GLU 69 5.986 11.030 -8.211 507 2HB GLU 69 HB3 GLU 69 6.785 10.031 -9.402 508 1HG GLU 69 HG2 GLU 69 4.199 11.393 -10.203 509 2HG GLU 69 HG3 GLU 69 5.663 12.369 -10.040 510 H LEU 70 H LEU 70 6.042 8.962 -6.564 511 HA LEU 70 HA LEU 70 7.594 6.728 -7.085 512 1HB LEU 70 HB2 LEU 70 7.896 8.308 -5.243 513 2HB LEU 70 HB3 LEU 70 6.425 7.692 -4.487 514 HG LEU 70 HG LEU 70 7.388 5.980 -3.496 515 1HD1 LEU 70 HD11 LEU 70 9.332 4.691 -4.463 516 2HD1 LEU 70 HD12 LEU 70 7.751 4.655 -5.261 517 3HD1 LEU 70 HD13 LEU 70 9.074 5.638 -5.949 518 1HD2 LEU 70 HD21 LEU 70 9.548 6.418 -2.665 519 2HD2 LEU 70 HD22 LEU 70 10.022 7.329 -4.114 520 3HD2 LEU 70 HD23 LEU 70 8.832 8.012 -2.979 521 H SER 71 H SER 71 4.497 6.906 -5.465 522 HA SER 71 HA SER 71 3.686 4.310 -5.073 523 1HB SER 71 HB2 SER 71 2.343 6.310 -4.564 524 2HB SER 71 HB3 SER 71 2.002 6.544 -6.289 525 HG SER 71 HG SER 71 1.378 4.174 -4.875 526 H LYS 72 H LYS 72 3.327 6.010 -8.285 527 HA LYS 72 HA LYS 72 2.486 3.757 -9.739 528 1HB LYS 72 HB2 LYS 72 3.799 6.394 -10.323 529 2HB LYS 72 HB3 LYS 72 4.006 5.185 -11.569 530 1HG LYS 72 HG2 LYS 72 1.283 5.755 -10.350 531 2HG LYS 72 HG3 LYS 72 1.992 6.845 -11.551 532 1HD LYS 72 HD2 LYS 72 2.378 4.919 -13.101 533 2HD LYS 72 HD3 LYS 72 1.579 3.837 -11.946 534 1HE LYS 72 HE2 LYS 72 -0.521 5.198 -12.201 535 2HE LYS 72 HE3 LYS 72 0.319 6.242 -13.364 536 1HZ LYS 72 HZ1 LYS 72 -0.959 4.582 -14.503 537 2HZ LYS 72 HZ2 LYS 72 0.635 4.305 -14.768 538 3HZ LYS 72 HZ3 LYS 72 -0.194 3.357 -13.713 539 H THR 73 H THR 73 5.851 4.740 -8.941 540 HA THR 73 HA THR 73 7.104 2.623 -10.444 541 HB THR 73 HB THR 73 8.001 4.583 -8.334 542 HG1 THR 73 HG1 THR 73 8.960 3.901 -10.896 543 1HG2 THR 73 HG21 THR 73 9.702 2.235 -9.228 544 2HG2 THR 73 HG22 THR 73 10.277 3.700 -8.402 545 3HG2 THR 73 HG23 THR 73 9.170 2.606 -7.569 546 H PHE 74 H PHE 74 5.450 2.660 -7.404 547 HA PHE 74 HA PHE 74 6.439 -0.089 -6.741 548 1HB PHE 74 HB2 PHE 74 4.785 1.928 -5.183 549 2HB PHE 74 HB3 PHE 74 4.975 0.255 -4.679 550 HD1 PHE 74 HD1 PHE 74 6.123 3.322 -3.808 551 HD2 PHE 74 HD2 PHE 74 7.545 -0.628 -4.787 552 HE1 PHE 74 HE1 PHE 74 8.162 3.702 -2.446 553 HE2 PHE 74 HE2 PHE 74 9.631 -0.191 -3.528 554 HZ PHE 74 HZ PHE 74 9.938 1.977 -2.361 555 H ILE 75 H ILE 75 4.116 1.186 -8.768 556 HA ILE 75 HA ILE 75 1.834 -0.322 -7.934 557 HB ILE 75 HB ILE 75 2.185 1.579 -9.754 558 1HG1 ILE 75 HG12 ILE 75 0.017 -0.489 -9.531 559 2HG1 ILE 75 HG13 ILE 75 0.184 1.113 -8.778 560 1HG2 ILE 75 HG21 ILE 75 1.881 -0.887 -11.502 561 2HG2 ILE 75 HG22 ILE 75 1.937 0.811 -12.028 562 3HG2 ILE 75 HG23 ILE 75 3.386 0.064 -11.371 563 1HD1 ILE 75 HD11 ILE 75 0.102 2.172 -10.986 564 2HD1 ILE 75 HD12 ILE 75 -0.344 0.581 -11.686 565 3HD1 ILE 75 HD13 ILE 75 -1.399 1.354 -10.484 566 H ILE 76 H ILE 76 1.417 -2.464 -8.009 567 HA ILE 76 HA ILE 76 3.262 -4.229 -9.614 568 HB ILE 76 HB ILE 76 2.412 -5.997 -8.057 569 1HG1 ILE 76 HG12 ILE 76 1.589 -3.643 -6.293 570 2HG1 ILE 76 HG13 ILE 76 0.449 -4.580 -7.253 571 1HG2 ILE 76 HG21 ILE 76 4.127 -5.557 -6.452 572 2HG2 ILE 76 HG22 ILE 76 4.663 -4.748 -7.923 573 3HG2 ILE 76 HG23 ILE 76 3.946 -3.798 -6.611 574 1HD1 ILE 76 HD11 ILE 76 0.375 -6.157 -5.658 575 2HD1 ILE 76 HD12 ILE 76 2.131 -6.379 -5.710 576 3HD1 ILE 76 HD13 ILE 76 1.431 -5.136 -4.656 577 H GLY 77 H GLY 77 0.149 -2.928 -9.637 578 1HA GLY 77 HA1 GLY 77 -0.690 -3.774 -12.041 579 2HA GLY 77 HA2 GLY 77 -1.204 -5.126 -11.003 580 H GLU 78 H GLU 78 -3.369 -4.746 -10.955 581 HA GLU 78 HA GLU 78 -4.298 -2.304 -9.660 582 1HB GLU 78 HB2 GLU 78 -4.825 -3.085 -12.490 583 2HB GLU 78 HB3 GLU 78 -6.202 -2.520 -11.551 584 1HG GLU 78 HG2 GLU 78 -4.954 -0.501 -10.936 585 2HG GLU 78 HG3 GLU 78 -3.619 -0.989 -11.997 586 H LEU 79 H LEU 79 -6.663 -2.524 -9.160 587 HA LEU 79 HA LEU 79 -7.114 -4.945 -7.659 588 1HB LEU 79 HB2 LEU 79 -7.997 -2.764 -6.959 589 2HB LEU 79 HB3 LEU 79 -8.845 -2.608 -8.499 590 HG LEU 79 HG LEU 79 -10.038 -4.888 -7.694 591 1HD1 LEU 79 HD11 LEU 79 -10.211 -5.169 -5.360 592 2HD1 LEU 79 HD12 LEU 79 -8.483 -4.938 -5.637 593 3HD1 LEU 79 HD13 LEU 79 -9.471 -3.592 -5.030 594 1HD2 LEU 79 HD21 LEU 79 -10.937 -2.365 -6.368 595 2HD2 LEU 79 HD22 LEU 79 -10.967 -2.530 -8.149 596 3HD2 LEU 79 HD23 LEU 79 -11.880 -3.638 -7.165 597 H HIS 80 H HIS 80 -8.204 -6.786 -8.269 598 HA HIS 80 HA HIS 80 -8.742 -7.477 -10.914 599 1HB HIS 80 HB2 HIS 80 -8.558 -8.874 -8.747 600 2HB HIS 80 HB3 HIS 80 -10.309 -8.690 -8.642 601 HD1 HIS 80 HD1 HIS 80 -11.606 -10.394 -10.277 602 HD2 HIS 80 HD2 HIS 80 -7.443 -10.210 -10.783 603 HE1 HIS 80 HE1 HIS 80 -11.007 -12.237 -11.890 604 HA PRO 81 HA PRO 81 -12.574 -5.551 -11.890 605 1HB PRO 81 HB2 PRO 81 -13.356 -6.970 -14.093 606 2HB PRO 81 HB3 PRO 81 -12.051 -5.751 -14.078 607 1HG PRO 81 HG2 PRO 81 -11.778 -8.756 -13.861 608 2HG PRO 81 HG3 PRO 81 -10.827 -7.633 -14.882 609 1HD PRO 81 HD2 PRO 81 -9.935 -8.571 -12.518 610 2HD PRO 81 HD3 PRO 81 -9.554 -6.910 -13.052 611 H ASP 82 H ASP 82 -12.324 -8.673 -10.609 612 HA ASP 82 HA ASP 82 -15.191 -9.304 -10.582 613 1HB ASP 82 HB2 ASP 82 -13.399 -11.062 -10.612 614 2HB ASP 82 HB3 ASP 82 -12.928 -10.528 -8.955 615 H ASP 83 H ASP 83 -12.859 -7.517 -8.634 616 HA ASP 83 HA ASP 83 -14.426 -7.572 -6.170 617 1HB ASP 83 HB2 ASP 83 -12.013 -7.373 -6.055 618 2HB ASP 83 HB3 ASP 83 -12.061 -5.910 -7.068 619 H ARG 84 H ARG 84 -13.682 -5.186 -8.683 620 HA ARG 84 HA ARG 84 -15.192 -3.048 -7.550 621 1HB ARG 84 HB2 ARG 84 -14.727 -1.868 -9.600 622 2HB ARG 84 HB3 ARG 84 -13.289 -2.785 -9.121 623 1HG ARG 84 HG2 ARG 84 -14.128 -4.627 -10.727 624 2HG ARG 84 HG3 ARG 84 -15.341 -3.489 -11.277 625 1HD ARG 84 HD2 ARG 84 -13.485 -3.445 -12.816 626 2HD ARG 84 HD3 ARG 84 -13.662 -1.891 -11.969 627 HE ARG 84 HE ARG 84 -11.762 -3.651 -10.640 628 1HH1 ARG 84 HH11 ARG 84 -8.959 -1.829 -11.869 629 2HH1 ARG 84 HH12 ARG 84 -9.437 -3.192 -10.911 630 1HH2 ARG 84 HH21 ARG 84 -10.475 -0.968 -13.445 631 2HH2 ARG 84 HH22 ARG 84 -12.141 -1.465 -13.383 632 HHA HEM 201 HGM HEM 201 4.774 10.994 4.877 633 HHB HEM 201 HDM HEM 201 5.623 8.061 -0.807 634 HHC HEM 201 HAM HEM 201 1.016 3.828 0.715 635 HHD HEM 201 HBM HEM 201 0.330 6.607 6.495 636 1HMA HEM 201 HM81 HEM 201 7.806 9.780 0.129 637 2HMA HEM 201 HM82 HEM 201 6.461 10.231 -0.928 638 3HMA HEM 201 HM83 HEM 201 7.163 11.431 0.139 639 1HAA HEM 201 HAA1 HEM 201 6.749 11.814 3.701 640 2HAA HEM 201 HAA2 HEM 201 6.906 12.392 2.062 641 1HBA HEM 201 HBA1 HEM 201 4.108 12.516 3.118 642 2HBA HEM 201 HBA2 HEM 201 5.002 13.648 2.117 643 1HMB HEM 201 HM11 HEM 201 4.458 5.106 -3.008 644 2HMB HEM 201 HM12 HEM 201 4.465 6.878 -2.978 645 3HMB HEM 201 HM13 HEM 201 5.747 5.961 -2.161 646 HAB HEM 201 HT2A HEM 201 2.444 3.029 -1.483 647 1HBB HEM 201 HV2C HEM 201 0.976 5.414 -2.641 648 2HBB HEM 201 HV2T HEM 201 0.668 3.585 -2.899 649 1HMC HEM 201 HM31 HEM 201 -1.152 2.491 3.565 650 2HMC HEM 201 HM32 HEM 201 -1.784 3.544 2.294 651 3HMC HEM 201 HM33 HEM 201 -0.348 2.538 1.992 652 HAC HEM 201 HT4A HEM 201 -1.221 3.539 5.874 653 1HBC HEM 201 HV4C HEM 201 -2.086 6.457 5.438 654 2HBC HEM 201 HV4T HEM 201 -2.862 5.189 6.554 655 1HMD HEM 201 HM51 HEM 201 1.474 9.368 8.798 656 2HMD HEM 201 HM52 HEM 201 0.534 8.005 8.211 657 3HMD HEM 201 HM53 HEM 201 2.220 7.771 8.723 658 1HAD HEM 201 HAD1 HEM 201 4.048 9.920 8.292 659 2HAD HEM 201 HAD2 HEM 201 4.580 11.020 7.051 660 1HBD HEM 201 HBD1 HEM 201 3.082 12.601 7.572 661 2HBD HEM 201 HBD2 HEM 201 1.803 11.456 7.958 Start of MODEL 23 1 1H ALA 3 H1 ALA 3 2.268 -9.393 -17.660 2 2H ALA 3 H2 ALA 3 1.170 -10.140 -18.606 3 3H ALA 3 H3 ALA 3 2.554 -9.532 -19.306 4 HA ALA 3 HA ALA 3 1.907 -7.345 -19.007 5 1HB ALA 3 HB1 ALA 3 -0.391 -7.168 -19.880 6 2HB ALA 3 HB2 ALA 3 0.445 -8.491 -20.705 7 3HB ALA 3 HB3 ALA 3 -0.728 -8.848 -19.418 8 H VAL 4 H VAL 4 -0.451 -6.175 -17.974 9 HA VAL 4 HA VAL 4 -0.062 -6.264 -15.154 10 HB VAL 4 HB VAL 4 -1.067 -4.363 -16.325 11 1HG1 VAL 4 HG11 VAL 4 -3.557 -6.086 -16.733 12 2HG1 VAL 4 HG12 VAL 4 -3.379 -4.367 -17.111 13 3HG1 VAL 4 HG13 VAL 4 -2.454 -5.565 -18.024 14 1HG2 VAL 4 HG21 VAL 4 -2.800 -3.834 -14.725 15 2HG2 VAL 4 HG22 VAL 4 -3.047 -5.543 -14.331 16 3HG2 VAL 4 HG23 VAL 4 -1.515 -4.744 -13.909 17 H LYS 5 H LYS 5 -1.222 -7.370 -13.534 18 HA LYS 5 HA LYS 5 -3.304 -9.293 -14.376 19 1HB LYS 5 HB2 LYS 5 -0.991 -10.406 -13.993 20 2HB LYS 5 HB3 LYS 5 -1.227 -10.026 -12.278 21 1HG LYS 5 HG2 LYS 5 -3.420 -11.287 -12.373 22 2HG LYS 5 HG3 LYS 5 -3.086 -11.645 -14.082 23 1HD LYS 5 HD2 LYS 5 -0.873 -12.700 -13.267 24 2HD LYS 5 HD3 LYS 5 -1.555 -12.586 -11.630 25 1HE LYS 5 HE2 LYS 5 -3.561 -13.917 -12.459 26 2HE LYS 5 HE3 LYS 5 -2.753 -14.080 -14.028 27 1HZ LYS 5 HZ1 LYS 5 -2.406 -16.008 -12.705 28 2HZ LYS 5 HZ2 LYS 5 -0.963 -15.246 -12.889 29 3HZ LYS 5 HZ3 LYS 5 -1.777 -15.143 -11.460 30 H TYR 6 H TYR 6 -5.086 -8.605 -13.329 31 HA TYR 6 HA TYR 6 -4.963 -6.724 -11.128 32 1HB TYR 6 HB2 TYR 6 -7.320 -8.367 -12.093 33 2HB TYR 6 HB3 TYR 6 -7.308 -6.944 -11.043 34 HD1 TYR 6 HD1 TYR 6 -6.740 -8.069 -14.570 35 HD2 TYR 6 HD2 TYR 6 -7.405 -4.744 -11.910 36 HE1 TYR 6 HE1 TYR 6 -6.764 -6.515 -16.504 37 HE2 TYR 6 HE2 TYR 6 -7.478 -3.212 -13.843 38 HH TYR 6 HH TYR 6 -6.968 -2.973 -16.052 39 H TYR 7 H TYR 7 -5.759 -7.133 -8.959 40 HA TYR 7 HA TYR 7 -5.471 -9.977 -8.073 41 1HB TYR 7 HB2 TYR 7 -4.453 -7.561 -6.568 42 2HB TYR 7 HB3 TYR 7 -4.284 -9.253 -6.134 43 HD1 TYR 7 HD1 TYR 7 -2.910 -10.781 -7.713 44 HD2 TYR 7 HD2 TYR 7 -2.752 -6.478 -7.823 45 HE1 TYR 7 HE1 TYR 7 -0.738 -10.890 -8.899 46 HE2 TYR 7 HE2 TYR 7 -0.616 -6.594 -9.077 47 HH TYR 7 HH TYR 7 1.028 -9.678 -9.767 48 H THR 8 H THR 8 -6.833 -10.597 -6.426 49 HA THR 8 HA THR 8 -9.299 -9.027 -6.134 50 HB THR 8 HB THR 8 -10.165 -11.045 -5.123 51 HG1 THR 8 HG1 THR 8 -8.143 -12.758 -5.217 52 1HG2 THR 8 HG21 THR 8 -9.994 -11.148 -7.590 53 2HG2 THR 8 HG22 THR 8 -8.393 -11.916 -7.459 54 3HG2 THR 8 HG23 THR 8 -9.830 -12.745 -6.841 55 H LEU 9 H LEU 9 -10.128 -8.427 -4.053 56 HA LEU 9 HA LEU 9 -8.534 -7.493 -2.103 57 1HB LEU 9 HB2 LEU 9 -11.321 -7.859 -2.516 58 2HB LEU 9 HB3 LEU 9 -11.069 -8.695 -1.114 59 HG LEU 9 HG LEU 9 -10.203 -5.804 -1.641 60 1HD1 LEU 9 HD11 LEU 9 -12.528 -6.872 0.011 61 2HD1 LEU 9 HD12 LEU 9 -12.071 -5.163 -0.179 62 3HD1 LEU 9 HD13 LEU 9 -12.643 -6.085 -1.579 63 1HD2 LEU 9 HD21 LEU 9 -9.900 -5.640 0.841 64 2HD2 LEU 9 HD22 LEU 9 -10.155 -7.393 0.967 65 3HD2 LEU 9 HD23 LEU 9 -8.745 -6.748 0.094 66 H GLU 10 H GLU 10 -9.759 -10.794 -2.404 67 HA GLU 10 HA GLU 10 -8.863 -11.935 0.022 68 1HB GLU 10 HB2 GLU 10 -10.437 -12.891 -1.636 69 2HB GLU 10 HB3 GLU 10 -9.125 -13.147 -2.747 70 1HG GLU 10 HG2 GLU 10 -9.624 -15.254 -1.775 71 2HG GLU 10 HG3 GLU 10 -8.014 -14.740 -1.299 72 H GLU 11 H GLU 11 -7.310 -12.115 -3.218 73 HA GLU 11 HA GLU 11 -4.878 -13.269 -2.424 74 1HB GLU 11 HB2 GLU 11 -5.817 -11.601 -4.740 75 2HB GLU 11 HB3 GLU 11 -4.090 -11.742 -4.487 76 1HG GLU 11 HG2 GLU 11 -4.875 -13.484 -6.027 77 2HG GLU 11 HG3 GLU 11 -4.184 -14.183 -4.558 78 H ILE 12 H ILE 12 -5.689 -9.783 -2.726 79 HA ILE 12 HA ILE 12 -3.131 -8.870 -1.890 80 HB ILE 12 HB ILE 12 -5.824 -7.481 -1.673 81 1HG1 ILE 12 HG12 ILE 12 -3.770 -7.102 -3.902 82 2HG1 ILE 12 HG13 ILE 12 -4.992 -8.334 -4.046 83 1HG2 ILE 12 HG21 ILE 12 -4.584 -5.388 -1.648 84 2HG2 ILE 12 HG22 ILE 12 -3.883 -6.396 -0.380 85 3HG2 ILE 12 HG23 ILE 12 -3.058 -6.233 -1.935 86 1HD1 ILE 12 HD11 ILE 12 -5.505 -5.367 -3.739 87 2HD1 ILE 12 HD12 ILE 12 -5.820 -6.377 -5.155 88 3HD1 ILE 12 HD13 ILE 12 -6.773 -6.619 -3.691 89 H GLN 13 H GLN 13 -6.140 -9.547 0.016 90 HA GLN 13 HA GLN 13 -5.284 -8.718 2.520 91 1HB GLN 13 HB2 GLN 13 -7.278 -10.717 1.504 92 2HB GLN 13 HB3 GLN 13 -6.825 -10.804 3.182 93 1HG GLN 13 HG2 GLN 13 -7.762 -8.226 1.872 94 2HG GLN 13 HG3 GLN 13 -8.845 -9.380 2.666 95 1HE2 GLN 13 HE21 GLN 13 -9.102 -7.033 3.788 96 2HE2 GLN 13 HE22 GLN 13 -8.182 -6.909 5.279 97 H LYS 14 H LYS 14 -4.588 -11.807 0.855 98 HA LYS 14 HA LYS 14 -3.408 -13.063 3.120 99 1HB LYS 14 HB2 LYS 14 -2.542 -13.511 0.250 100 2HB LYS 14 HB3 LYS 14 -2.453 -14.638 1.605 101 1HG LYS 14 HG2 LYS 14 -5.181 -13.787 1.381 102 2HG LYS 14 HG3 LYS 14 -4.613 -14.110 -0.259 103 1HD LYS 14 HD2 LYS 14 -4.047 -16.443 0.460 104 2HD LYS 14 HD3 LYS 14 -4.605 -16.027 2.110 105 1HE LYS 14 HE2 LYS 14 -6.771 -15.156 0.957 106 2HE LYS 14 HE3 LYS 14 -6.234 -15.996 -0.501 107 1HZ LYS 14 HZ1 LYS 14 -6.566 -18.035 0.629 108 2HZ LYS 14 HZ2 LYS 14 -6.747 -17.282 2.106 109 3HZ LYS 14 HZ3 LYS 14 -7.857 -17.028 0.929 110 H HIS 15 H HIS 15 -2.216 -10.582 0.975 111 HA HIS 15 HA HIS 15 0.587 -10.771 1.947 112 1HB HIS 15 HB2 HIS 15 -0.736 -9.118 -0.224 113 2HB HIS 15 HB3 HIS 15 0.928 -8.907 0.329 114 HD1 HIS 15 HD1 HIS 15 2.374 -9.841 -1.584 115 HD2 HIS 15 HD2 HIS 15 -1.058 -12.126 -0.795 116 HE1 HIS 15 HE1 HIS 15 2.486 -11.875 -3.108 117 H ASN 16 H ASN 16 -0.720 -10.430 4.026 118 HA ASN 16 HA ASN 16 -0.809 -7.505 4.705 119 1HB ASN 16 HB2 ASN 16 -2.031 -8.118 6.697 120 2HB ASN 16 HB3 ASN 16 -2.859 -8.747 5.275 121 1HD2 ASN 16 HD21 ASN 16 -2.839 -10.998 4.895 122 2HD2 ASN 16 HD22 ASN 16 -2.219 -12.198 6.002 123 H ASN 17 H ASN 17 1.217 -10.243 4.904 124 HA ASN 17 HA ASN 17 1.848 -9.845 7.754 125 1HB ASN 17 HB2 ASN 17 1.025 -12.025 6.772 126 2HB ASN 17 HB3 ASN 17 2.618 -12.185 6.013 127 1HD2 ASN 17 HD21 ASN 17 2.314 -14.257 7.485 128 2HD2 ASN 17 HD22 ASN 17 2.961 -14.100 9.107 129 H SER 18 H SER 18 4.110 -10.373 8.451 130 HA SER 18 HA SER 18 6.002 -8.540 7.324 131 1HB SER 18 HB2 SER 18 5.777 -9.232 9.762 132 2HB SER 18 HB3 SER 18 6.584 -10.754 9.326 133 HG SER 18 HG SER 18 8.095 -9.177 9.997 134 H LYS 19 H LYS 19 5.873 -9.356 5.189 135 HA LYS 19 HA LYS 19 8.106 -10.752 4.204 136 1HB LYS 19 HB2 LYS 19 5.843 -12.514 4.933 137 2HB LYS 19 HB3 LYS 19 6.070 -12.481 3.188 138 1HG LYS 19 HG2 LYS 19 8.543 -12.892 3.573 139 2HG LYS 19 HG3 LYS 19 8.151 -13.205 5.278 140 1HD LYS 19 HD2 LYS 19 6.574 -15.006 4.549 141 2HD LYS 19 HD3 LYS 19 6.974 -14.653 2.853 142 1HE LYS 19 HE2 LYS 19 9.395 -15.187 3.361 143 2HE LYS 19 HE3 LYS 19 8.910 -15.666 4.996 144 1HZ LYS 19 HZ1 LYS 19 8.003 -16.921 2.484 145 2HZ LYS 19 HZ2 LYS 19 9.096 -17.545 3.539 146 3HZ LYS 19 HZ3 LYS 19 7.526 -17.374 3.995 147 H SER 20 H SER 20 4.633 -9.882 3.739 148 HA SER 20 HA SER 20 5.302 -8.408 1.301 149 1HB SER 20 HB2 SER 20 3.340 -10.740 1.270 150 2HB SER 20 HB3 SER 20 3.715 -9.580 -0.015 151 HG SER 20 HG SER 20 6.030 -10.483 0.606 152 H THR 21 H THR 21 4.590 -6.588 2.329 153 HA THR 21 HA THR 21 1.765 -6.378 3.253 154 HB THR 21 HB THR 21 4.173 -4.526 3.266 155 HG1 THR 21 HG1 THR 21 3.792 -6.269 4.825 156 1HG2 THR 21 HG21 THR 21 2.554 -2.909 2.931 157 2HG2 THR 21 HG22 THR 21 1.267 -3.876 3.645 158 3HG2 THR 21 HG23 THR 21 2.468 -3.092 4.693 159 H TRP 22 H TRP 22 0.424 -6.465 1.481 160 HA TRP 22 HA TRP 22 0.859 -4.491 -0.696 161 1HB TRP 22 HB2 TRP 22 -0.897 -6.970 -0.573 162 2HB TRP 22 HB3 TRP 22 -0.891 -5.775 -1.855 163 HD1 TRP 22 HD1 TRP 22 2.627 -6.387 -1.069 164 HE1 TRP 22 HE1 TRP 22 3.696 -7.684 -2.870 165 HE3 TRP 22 HE3 TRP 22 -1.630 -8.020 -3.366 166 HZ2 TRP 22 HZ2 TRP 22 2.805 -9.431 -5.121 167 HZ3 TRP 22 HZ3 TRP 22 -1.512 -9.523 -5.300 168 HH2 TRP 22 HH2 TRP 22 0.709 -10.234 -6.215 169 H LEU 23 H LEU 23 -1.242 -3.484 -1.411 170 HA LEU 23 HA LEU 23 -3.527 -3.437 0.241 171 1HB LEU 23 HB2 LEU 23 -3.188 -1.069 1.155 172 2HB LEU 23 HB3 LEU 23 -2.340 -2.374 1.942 173 HG LEU 23 HG LEU 23 -0.311 -1.732 0.348 174 1HD1 LEU 23 HD11 LEU 23 -1.653 -0.058 -0.989 175 2HD1 LEU 23 HD12 LEU 23 -1.860 0.846 0.534 176 3HD1 LEU 23 HD13 LEU 23 -0.243 0.642 -0.176 177 1HD2 LEU 23 HD21 LEU 23 0.433 -0.082 1.970 178 2HD2 LEU 23 HD22 LEU 23 -1.203 -0.024 2.683 179 3HD2 LEU 23 HD23 LEU 23 -0.241 -1.523 2.767 180 H ILE 24 H ILE 24 -4.836 -1.350 -0.336 181 HA ILE 24 HA ILE 24 -4.639 -0.953 -3.282 182 HB ILE 24 HB ILE 24 -7.096 -1.337 -1.543 183 1HG1 ILE 24 HG12 ILE 24 -6.226 -2.927 -3.989 184 2HG1 ILE 24 HG13 ILE 24 -5.743 -3.386 -2.351 185 1HG2 ILE 24 HG21 ILE 24 -7.573 0.415 -3.212 186 2HG2 ILE 24 HG22 ILE 24 -6.842 -0.575 -4.492 187 3HG2 ILE 24 HG23 ILE 24 -8.361 -1.061 -3.722 188 1HD1 ILE 24 HD11 ILE 24 -7.739 -4.642 -3.013 189 2HD1 ILE 24 HD12 ILE 24 -8.087 -3.583 -1.650 190 3HD1 ILE 24 HD13 ILE 24 -8.644 -3.148 -3.265 191 H LEU 25 H LEU 25 -4.175 1.166 -3.727 192 HA LEU 25 HA LEU 25 -5.548 3.297 -2.144 193 1HB LEU 25 HB2 LEU 25 -2.901 3.483 -3.621 194 2HB LEU 25 HB3 LEU 25 -3.861 4.779 -2.999 195 HG LEU 25 HG LEU 25 -2.857 4.779 -1.117 196 1HD1 LEU 25 HD11 LEU 25 -4.457 3.217 -0.249 197 2HD1 LEU 25 HD12 LEU 25 -3.387 1.858 -0.680 198 3HD1 LEU 25 HD13 LEU 25 -2.876 3.060 0.518 199 1HD2 LEU 25 HD21 LEU 25 -0.760 3.544 -0.770 200 2HD2 LEU 25 HD22 LEU 25 -1.233 2.358 -1.990 201 3HD2 LEU 25 HD23 LEU 25 -0.918 4.039 -2.461 202 H HIS 26 H HIS 26 -7.361 3.574 -3.397 203 HA HIS 26 HA HIS 26 -8.648 4.189 -5.151 204 1HB HIS 26 HB2 HIS 26 -6.131 5.191 -6.517 205 2HB HIS 26 HB3 HIS 26 -7.798 5.651 -6.854 206 HD1 HIS 26 HD1 HIS 26 -8.940 7.366 -5.077 207 HD2 HIS 26 HD2 HIS 26 -4.921 6.302 -4.460 208 HE1 HIS 26 HE1 HIS 26 -8.001 9.047 -3.428 209 H TYR 27 H TYR 27 -8.407 1.614 -5.207 210 HA TYR 27 HA TYR 27 -8.630 -0.238 -6.456 211 1HB TYR 27 HB2 TYR 27 -8.893 1.590 -8.872 212 2HB TYR 27 HB3 TYR 27 -9.445 -0.070 -8.693 213 HD1 TYR 27 HD1 TYR 27 -10.069 3.443 -7.519 214 HD2 TYR 27 HD2 TYR 27 -11.634 -0.529 -8.019 215 HE1 TYR 27 HE1 TYR 27 -12.263 4.196 -6.652 216 HE2 TYR 27 HE2 TYR 27 -13.812 0.212 -7.113 217 HH TYR 27 HH TYR 27 -15.032 1.971 -6.267 218 H LYS 28 H LYS 28 -5.826 1.183 -6.340 219 HA LYS 28 HA LYS 28 -4.470 -0.366 -8.513 220 1HB LYS 28 HB2 LYS 28 -3.726 2.188 -7.089 221 2HB LYS 28 HB3 LYS 28 -2.671 1.351 -8.208 222 1HG LYS 28 HG2 LYS 28 -5.408 2.025 -9.240 223 2HG LYS 28 HG3 LYS 28 -4.415 3.409 -8.791 224 1HD LYS 28 HD2 LYS 28 -2.583 2.601 -10.254 225 2HD LYS 28 HD3 LYS 28 -3.564 1.190 -10.699 226 1HE LYS 28 HE2 LYS 28 -5.361 2.806 -11.521 227 2HE LYS 28 HE3 LYS 28 -4.218 4.135 -11.242 228 1HZ LYS 28 HZ1 LYS 28 -4.209 3.387 -13.523 229 2HZ LYS 28 HZ2 LYS 28 -2.745 3.002 -12.854 230 3HZ LYS 28 HZ3 LYS 28 -3.901 1.854 -13.080 231 H VAL 29 H VAL 29 -3.055 -1.943 -7.741 232 HA VAL 29 HA VAL 29 -2.846 -2.239 -4.819 233 HB VAL 29 HB VAL 29 -2.010 -4.236 -6.927 234 1HG1 VAL 29 HG11 VAL 29 -1.267 -4.500 -4.487 235 2HG1 VAL 29 HG12 VAL 29 -2.976 -4.607 -4.054 236 3HG1 VAL 29 HG13 VAL 29 -2.246 -5.829 -5.122 237 1HG2 VAL 29 HG21 VAL 29 -4.753 -3.842 -5.685 238 2HG2 VAL 29 HG22 VAL 29 -4.326 -3.801 -7.413 239 3HG2 VAL 29 HG23 VAL 29 -4.218 -5.316 -6.518 240 H TYR 30 H TYR 30 -0.929 -2.080 -3.768 241 HA TYR 30 HA TYR 30 1.532 -1.453 -5.351 242 1HB TYR 30 HB2 TYR 30 0.548 -0.356 -2.698 243 2HB TYR 30 HB3 TYR 30 2.112 0.003 -3.408 244 HD1 TYR 30 HD1 TYR 30 -1.551 0.462 -3.726 245 HD2 TYR 30 HD2 TYR 30 2.268 1.404 -5.458 246 HE1 TYR 30 HE1 TYR 30 -2.622 2.097 -5.214 247 HE2 TYR 30 HE2 TYR 30 1.170 3.120 -6.912 248 HH TYR 30 HH TYR 30 -2.322 3.805 -6.701 249 H ASP 31 H ASP 31 3.278 -2.722 -4.929 250 HA ASP 31 HA ASP 31 3.276 -4.502 -2.504 251 1HB ASP 31 HB2 ASP 31 3.588 -5.781 -4.548 252 2HB ASP 31 HB3 ASP 31 4.850 -4.660 -5.101 253 H LEU 32 H LEU 32 4.269 -3.366 -0.869 254 HA LEU 32 HA LEU 32 6.691 -1.791 -1.561 255 1HB LEU 32 HB2 LEU 32 4.840 -1.416 0.814 256 2HB LEU 32 HB3 LEU 32 6.271 -0.517 0.414 257 HG LEU 32 HG LEU 32 4.662 -0.475 -1.955 258 1HD1 LEU 32 HD11 LEU 32 2.750 -1.177 -0.526 259 2HD1 LEU 32 HD12 LEU 32 3.039 0.225 0.529 260 3HD1 LEU 32 HD13 LEU 32 2.545 0.463 -1.157 261 1HD2 LEU 32 HD21 LEU 32 6.262 1.210 -1.072 262 2HD2 LEU 32 HD22 LEU 32 4.736 1.867 -1.663 263 3HD2 LEU 32 HD23 LEU 32 5.015 1.716 0.095 264 H THR 33 H THR 33 5.742 -2.982 1.621 265 HA THR 33 HA THR 33 6.589 -4.309 3.082 266 HB THR 33 HB THR 33 6.164 -5.844 0.891 267 HG1 THR 33 HG1 THR 33 7.058 -6.685 3.440 268 1HG2 THR 33 HG21 THR 33 8.904 -6.725 1.895 269 2HG2 THR 33 HG22 THR 33 7.826 -7.600 0.798 270 3HG2 THR 33 HG23 THR 33 8.547 -6.080 0.268 271 H LYS 34 H LYS 34 9.220 -3.890 0.674 272 HA LYS 34 HA LYS 34 11.268 -3.930 2.804 273 1HB LYS 34 HB2 LYS 34 11.319 -3.368 -0.182 274 2HB LYS 34 HB3 LYS 34 12.749 -3.262 0.863 275 1HG LYS 34 HG2 LYS 34 12.596 -5.577 1.498 276 2HG LYS 34 HG3 LYS 34 11.008 -5.760 0.737 277 1HD LYS 34 HD2 LYS 34 11.983 -5.352 -1.484 278 2HD LYS 34 HD3 LYS 34 13.598 -5.187 -0.754 279 1HE LYS 34 HE2 LYS 34 13.482 -7.510 0.095 280 2HE LYS 34 HE3 LYS 34 11.822 -7.678 -0.498 281 1HZ LYS 34 HZ1 LYS 34 12.640 -7.449 -2.730 282 2HZ LYS 34 HZ2 LYS 34 14.192 -7.283 -2.198 283 3HZ LYS 34 HZ3 LYS 34 13.387 -8.699 -1.969 284 H PHE 35 H PHE 35 9.000 -1.702 1.494 285 HA PHE 35 HA PHE 35 10.674 0.690 1.955 286 1HB PHE 35 HB2 PHE 35 8.903 0.265 0.018 287 2HB PHE 35 HB3 PHE 35 7.757 0.669 1.270 288 HD1 PHE 35 HD1 PHE 35 6.949 2.870 1.199 289 HD2 PHE 35 HD2 PHE 35 11.039 2.089 0.064 290 HE1 PHE 35 HE1 PHE 35 7.288 5.276 0.738 291 HE2 PHE 35 HE2 PHE 35 11.389 4.498 -0.327 292 HZ PHE 35 HZ PHE 35 9.517 6.106 0.002 293 H LEU 36 H LEU 36 8.990 -1.389 3.991 294 HA LEU 36 HA LEU 36 7.139 0.253 5.315 295 1HB LEU 36 HB2 LEU 36 8.859 -2.052 6.302 296 2HB LEU 36 HB3 LEU 36 7.532 -1.363 7.243 297 HG LEU 36 HG LEU 36 7.161 -2.509 4.451 298 1HD1 LEU 36 HD11 LEU 36 6.311 -4.543 5.607 299 2HD1 LEU 36 HD12 LEU 36 7.983 -4.234 6.115 300 3HD1 LEU 36 HD13 LEU 36 6.644 -3.800 7.187 301 1HD2 LEU 36 HD21 LEU 36 4.780 -2.685 5.198 302 2HD2 LEU 36 HD22 LEU 36 5.197 -1.779 6.667 303 3HD2 LEU 36 HD23 LEU 36 5.357 -1.023 5.063 304 H GLU 37 H GLU 37 10.499 -0.449 6.406 305 HA GLU 37 HA GLU 37 10.479 1.574 8.426 306 1HB GLU 37 HB2 GLU 37 12.765 0.168 7.013 307 2HB GLU 37 HB3 GLU 37 12.930 1.171 8.461 308 1HG GLU 37 HG2 GLU 37 11.480 -0.326 9.739 309 2HG GLU 37 HG3 GLU 37 11.169 -1.330 8.316 310 H GLU 38 H GLU 38 11.408 1.596 5.000 311 HA GLU 38 HA GLU 38 12.819 4.061 4.942 312 1HB GLU 38 HB2 GLU 38 11.228 2.641 2.787 313 2HB GLU 38 HB3 GLU 38 12.395 3.900 2.497 314 1HG GLU 38 HG2 GLU 38 14.090 2.382 3.770 315 2HG GLU 38 HG3 GLU 38 12.927 1.078 3.476 316 H HIS 39 HN HIS 39 9.419 3.239 4.528 317 HA HIS 39 HA HIS 39 8.372 5.503 3.398 318 1HB HIS 39 HB2 HIS 39 7.084 3.513 3.653 319 2HB HIS 39 HB3 HIS 39 7.211 3.576 5.414 320 HD1 HIS 39 HND HIS 39 5.072 4.400 6.531 321 HD2 HIS 39 HD HIS 39 5.714 5.902 2.637 322 HE1 HIS 39 HE HIS 39 3.048 5.778 5.948 323 HA PRO 40 HA PRO 40 9.039 8.301 6.945 324 1HB PRO 40 HB2 PRO 40 8.712 10.694 5.731 325 2HB PRO 40 HB3 PRO 40 10.113 9.643 5.380 326 1HG PRO 40 HG2 PRO 40 7.545 9.853 3.808 327 2HG PRO 40 HG3 PRO 40 9.211 9.979 3.172 328 1HD PRO 40 HD2 PRO 40 7.759 7.658 3.115 329 2HD PRO 40 HD3 PRO 40 9.532 7.643 3.362 330 H GLY 41 H GLY 41 6.922 6.911 7.291 331 1HA GLY 41 HA1 GLY 41 4.987 8.712 8.463 332 2HA GLY 41 HA2 GLY 41 4.342 7.852 7.049 333 H GLY 42 H GLY 42 6.813 6.435 9.147 334 1HA GLY 42 HA1 GLY 42 6.740 4.779 10.714 335 2HA GLY 42 HA2 GLY 42 4.975 4.884 10.781 336 H GLU 43 H GLU 43 6.611 2.480 10.755 337 HA GLU 43 HA GLU 43 6.023 1.181 8.177 338 1HB GLU 43 HB2 GLU 43 7.007 -0.822 9.364 339 2HB GLU 43 HB3 GLU 43 8.079 0.530 8.983 340 1HG GLU 43 HG2 GLU 43 8.724 -0.345 11.067 341 2HG GLU 43 HG3 GLU 43 8.037 1.243 11.373 342 H ALA 44 H ALA 44 5.064 0.922 11.633 343 HA ALA 44 HA ALA 44 3.240 -1.003 11.560 344 1HB ALA 44 HB1 ALA 44 2.964 1.649 13.047 345 2HB ALA 44 HB2 ALA 44 2.063 0.164 13.427 346 3HB ALA 44 HB3 ALA 44 3.825 0.197 13.606 347 H VAL 45 H VAL 45 2.488 2.393 10.549 348 HA VAL 45 HA VAL 45 -0.252 2.034 10.170 349 HB VAL 45 HB VAL 45 -0.324 3.981 9.036 350 1HG1 VAL 45 HG11 VAL 45 0.964 5.545 10.292 351 2HG1 VAL 45 HG12 VAL 45 0.607 4.183 11.371 352 3HG1 VAL 45 HG13 VAL 45 2.225 4.361 10.642 353 1HG2 VAL 45 HG21 VAL 45 2.564 3.624 8.234 354 2HG2 VAL 45 HG22 VAL 45 1.135 3.582 7.169 355 3HG2 VAL 45 HG23 VAL 45 1.592 5.093 7.949 356 H LEU 46 H LEU 46 2.429 1.401 7.895 357 HA LEU 46 HA LEU 46 0.712 0.565 5.725 358 1HB LEU 46 HB2 LEU 46 3.666 0.265 6.365 359 2HB LEU 46 HB3 LEU 46 2.948 -0.574 4.991 360 HG LEU 46 HG LEU 46 2.692 2.439 5.329 361 1HD1 LEU 46 HD11 LEU 46 4.570 2.619 3.727 362 2HD1 LEU 46 HD12 LEU 46 5.098 1.874 5.249 363 3HD1 LEU 46 HD13 LEU 46 4.824 0.871 3.804 364 1HD2 LEU 46 HD21 LEU 46 2.478 0.526 2.952 365 2HD2 LEU 46 HD22 LEU 46 1.125 1.382 3.724 366 3HD2 LEU 46 HD23 LEU 46 2.365 2.289 2.848 367 H ARG 47 H ARG 47 2.515 -1.154 8.317 368 HA ARG 47 HA ARG 47 1.853 -3.727 7.205 369 1HB ARG 47 HB2 ARG 47 3.545 -2.737 9.291 370 2HB ARG 47 HB3 ARG 47 2.483 -3.928 10.039 371 1HG ARG 47 HG2 ARG 47 4.021 -4.402 7.444 372 2HG ARG 47 HG3 ARG 47 4.681 -4.782 9.032 373 1HD ARG 47 HD2 ARG 47 2.029 -5.913 8.032 374 2HD ARG 47 HD3 ARG 47 3.575 -6.718 7.761 375 HE ARG 47 HE ARG 47 3.744 -6.345 10.396 376 1HH1 ARG 47 HH11 ARG 47 1.666 -8.778 11.818 377 2HH1 ARG 47 HH12 ARG 47 3.056 -7.767 12.044 378 1HH2 ARG 47 HH21 ARG 47 0.422 -8.640 9.806 379 2HH2 ARG 47 HH22 ARG 47 0.997 -7.641 8.516 380 H ALA 48 H ALA 48 0.239 -1.593 9.415 381 HA ALA 48 HA ALA 48 -1.712 -3.465 10.427 382 1HB ALA 48 HB1 ALA 48 -1.030 -1.470 11.657 383 2HB ALA 48 HB2 ALA 48 -1.569 -0.424 10.333 384 3HB ALA 48 HB3 ALA 48 -2.763 -1.363 11.266 385 H GLN 49 H GLN 49 -1.838 -0.754 7.984 386 HA GLN 49 HA GLN 49 -4.520 -1.544 7.206 387 1HB GLN 49 HB2 GLN 49 -2.510 0.574 6.428 388 2HB GLN 49 HB3 GLN 49 -3.827 0.241 5.337 389 1HG GLN 49 HG2 GLN 49 -4.329 0.892 8.252 390 2HG GLN 49 HG3 GLN 49 -4.237 2.091 6.948 391 1HE2 GLN 49 HE21 GLN 49 -6.494 2.644 7.561 392 2HE2 GLN 49 HE22 GLN 49 -7.765 1.663 6.805 393 H ALA 50 H ALA 50 -1.406 -2.649 6.311 394 HA ALA 50 HA ALA 50 -1.561 -3.494 3.754 395 1HB ALA 50 HB1 ALA 50 -0.273 -5.425 4.419 396 2HB ALA 50 HB2 ALA 50 0.187 -4.135 5.536 397 3HB ALA 50 HB3 ALA 50 -0.926 -5.388 6.076 398 H GLY 51 H GLY 51 -2.878 -4.855 2.555 399 1HA GLY 51 HA1 GLY 51 -3.973 -7.062 2.731 400 2HA GLY 51 HA2 GLY 51 -5.062 -6.395 3.964 401 H GLY 52 H GLY 52 -5.262 -3.757 2.609 402 1HA GLY 52 HA1 GLY 52 -5.802 -3.119 0.275 403 2HA GLY 52 HA2 GLY 52 -6.798 -4.549 0.127 404 H ASP 53 H ASP 53 -6.599 -1.898 2.600 405 HA ASP 53 HA ASP 53 -8.702 -0.550 1.237 406 1HB ASP 53 HB2 ASP 53 -10.204 -2.036 2.531 407 2HB ASP 53 HB3 ASP 53 -9.427 -1.511 4.036 408 H ALA 54 H ALA 54 -6.522 0.593 1.221 409 HA ALA 54 HA ALA 54 -6.166 2.211 3.735 410 1HB ALA 54 HB1 ALA 54 -3.865 2.399 3.169 411 2HB ALA 54 HB2 ALA 54 -4.291 0.665 3.264 412 3HB ALA 54 HB3 ALA 54 -4.085 1.427 1.686 413 H THR 55 H THR 55 -7.654 2.455 0.828 414 HA THR 55 HA THR 55 -6.353 4.688 -0.389 415 HB THR 55 HB THR 55 -9.288 3.846 -0.465 416 HG1 THR 55 HG1 THR 55 -7.404 2.386 -1.214 417 1HG2 THR 55 HG21 THR 55 -9.251 5.028 -2.673 418 2HG2 THR 55 HG22 THR 55 -8.987 6.144 -1.323 419 3HG2 THR 55 HG23 THR 55 -7.611 5.613 -2.306 420 H ALA 56 H ALA 56 -9.152 4.516 1.855 421 HA ALA 56 HA ALA 56 -9.483 7.308 2.205 422 1HB ALA 56 HB1 ALA 56 -11.154 5.629 2.925 423 2HB ALA 56 HB2 ALA 56 -10.031 5.015 4.158 424 3HB ALA 56 HB3 ALA 56 -10.677 6.665 4.284 425 H ASN 57 H ASN 57 -7.516 4.951 4.043 426 HA ASN 57 HA ASN 57 -6.607 6.729 6.015 427 1HB ASN 57 HB2 ASN 57 -6.381 4.095 5.673 428 2HB ASN 57 HB3 ASN 57 -4.789 4.512 5.041 429 1HD2 ASN 57 HD21 ASN 57 -4.052 6.701 6.759 430 2HD2 ASN 57 HD22 ASN 57 -3.975 6.050 8.387 431 H PHE 58 H PHE 58 -5.056 5.740 2.967 432 HA PHE 58 HA PHE 58 -2.728 7.278 3.003 433 1HB PHE 58 HB2 PHE 58 -3.264 5.460 1.436 434 2HB PHE 58 HB3 PHE 58 -4.494 6.447 0.665 435 HD1 PHE 58 HD1 PHE 58 -0.896 5.857 1.070 436 HD2 PHE 58 HD2 PHE 58 -3.884 8.241 -0.916 437 HE1 PHE 58 HE1 PHE 58 0.781 6.551 -0.636 438 HE2 PHE 58 HE2 PHE 58 -2.249 8.785 -2.685 439 HZ PHE 58 HZ PHE 58 0.096 7.983 -2.534 440 H GLU 59 H GLU 59 -5.945 8.132 1.577 441 HA GLU 59 HA GLU 59 -5.141 10.762 0.796 442 1HB GLU 59 HB2 GLU 59 -7.852 9.502 1.275 443 2HB GLU 59 HB3 GLU 59 -7.624 11.111 0.568 444 1HG GLU 59 HG2 GLU 59 -6.381 8.593 -0.640 445 2HG GLU 59 HG3 GLU 59 -7.953 9.244 -1.089 446 H ALA 60 H ALA 60 -6.762 9.521 3.708 447 HA ALA 60 HA ALA 60 -7.464 11.957 4.898 448 1HB ALA 60 HB1 ALA 60 -7.446 10.681 7.031 449 2HB ALA 60 HB2 ALA 60 -8.268 9.804 5.728 450 3HB ALA 60 HB3 ALA 60 -6.628 9.333 6.214 451 H VAL 61 H VAL 61 -4.405 10.067 5.287 452 HA VAL 61 HA VAL 61 -3.189 12.211 6.852 453 HB VAL 61 HB VAL 61 -1.133 10.998 6.681 454 1HG1 VAL 61 HG11 VAL 61 -3.493 9.127 7.178 455 2HG1 VAL 61 HG12 VAL 61 -1.841 8.905 7.763 456 3HG1 VAL 61 HG13 VAL 61 -2.798 10.279 8.337 457 1HG2 VAL 61 HG21 VAL 61 -1.106 10.204 4.402 458 2HG2 VAL 61 HG22 VAL 61 -1.012 8.825 5.496 459 3HG2 VAL 61 HG23 VAL 61 -2.531 9.182 4.689 460 H GLY 62 H GLY 62 -3.190 11.285 3.391 461 1HA GLY 62 HA1 GLY 62 -3.071 12.813 1.648 462 2HA GLY 62 HA2 GLY 62 -2.361 14.053 2.693 463 H HIS 63 HN HIS 63 -1.378 13.239 0.130 464 HA HIS 63 HA HIS 63 1.335 12.283 0.693 465 1HB HIS 63 HB2 HIS 63 -0.767 10.710 -0.843 466 2HB HIS 63 HB3 HIS 63 0.946 10.553 -1.213 467 HD1 HIS 63 HND HIS 63 -1.518 9.611 1.613 468 HD2 HIS 63 HD HIS 63 2.548 9.409 0.551 469 HE1 HIS 63 HE HIS 63 -0.421 7.991 3.228 470 H SER 64 H SER 64 2.646 13.504 -0.526 471 HA SER 64 HA SER 64 1.493 15.473 -2.349 472 1HB SER 64 HB2 SER 64 3.282 15.947 -0.584 473 2HB SER 64 HB3 SER 64 4.412 15.036 -1.592 474 HG SER 64 HG SER 64 3.151 17.505 -2.089 475 H THR 65 H THR 65 2.931 16.002 -4.384 476 HA THR 65 HA THR 65 2.281 14.107 -6.272 477 HB THR 65 HB THR 65 4.570 16.048 -6.661 478 HG1 THR 65 HG1 THR 65 2.933 17.648 -6.899 479 1HG2 THR 65 HG21 THR 65 3.517 16.373 -8.868 480 2HG2 THR 65 HG22 THR 65 3.860 14.656 -8.597 481 3HG2 THR 65 HG23 THR 65 2.201 15.265 -8.423 482 H ASP 66 H ASP 66 5.461 14.688 -4.748 483 HA ASP 66 HA ASP 66 7.088 12.817 -6.083 484 1HB ASP 66 HB2 ASP 66 7.729 14.450 -4.228 485 2HB ASP 66 HB3 ASP 66 6.952 13.413 -3.054 486 H ALA 67 H ALA 67 5.044 12.380 -3.251 487 HA ALA 67 HA ALA 67 5.448 9.542 -3.004 488 1HB ALA 67 HB1 ALA 67 3.049 11.126 -2.023 489 2HB ALA 67 HB2 ALA 67 3.561 9.513 -1.510 490 3HB ALA 67 HB3 ALA 67 4.578 10.926 -1.157 491 H ARG 68 H ARG 68 2.943 11.470 -4.679 492 HA ARG 68 HA ARG 68 1.283 9.341 -5.544 493 1HB ARG 68 HB2 ARG 68 1.816 11.975 -6.953 494 2HB ARG 68 HB3 ARG 68 0.464 10.906 -7.255 495 1HG ARG 68 HG2 ARG 68 0.918 12.129 -4.513 496 2HG ARG 68 HG3 ARG 68 0.045 12.977 -5.789 497 1HD ARG 68 HD2 ARG 68 -1.624 11.260 -5.863 498 2HD ARG 68 HD3 ARG 68 -0.700 10.223 -4.745 499 HE ARG 68 HE ARG 68 -0.978 12.577 -3.339 500 1HH1 ARG 68 HH11 ARG 68 -3.948 11.749 -1.701 501 2HH1 ARG 68 HH12 ARG 68 -2.560 12.869 -1.705 502 1HH2 ARG 68 HH21 ARG 68 -4.350 10.384 -3.269 503 2HH2 ARG 68 HH22 ARG 68 -3.327 10.205 -4.706 504 H GLU 69 H GLU 69 4.374 10.616 -6.808 505 HA GLU 69 HA GLU 69 4.249 9.009 -9.241 506 1HB GLU 69 HB2 GLU 69 6.018 11.036 -7.972 507 2HB GLU 69 HB3 GLU 69 6.770 9.994 -9.160 508 1HG GLU 69 HG2 GLU 69 4.170 11.542 -9.628 509 2HG GLU 69 HG3 GLU 69 5.774 12.124 -10.070 510 H LEU 70 H LEU 70 6.262 9.066 -6.320 511 HA LEU 70 HA LEU 70 7.797 6.876 -6.635 512 1HB LEU 70 HB2 LEU 70 7.873 8.585 -4.845 513 2HB LEU 70 HB3 LEU 70 6.470 7.818 -4.103 514 HG LEU 70 HG LEU 70 7.665 6.421 -2.940 515 1HD1 LEU 70 HD11 LEU 70 7.972 4.898 -4.622 516 2HD1 LEU 70 HD12 LEU 70 9.298 5.819 -5.395 517 3HD1 LEU 70 HD13 LEU 70 9.539 5.046 -3.810 518 1HD2 LEU 70 HD21 LEU 70 8.970 8.477 -2.632 519 2HD2 LEU 70 HD22 LEU 70 9.971 7.023 -2.460 520 3HD2 LEU 70 HD23 LEU 70 10.059 7.986 -3.952 521 H SER 71 H SER 71 4.646 6.884 -5.011 522 HA SER 71 HA SER 71 4.028 4.208 -4.670 523 1HB SER 71 HB2 SER 71 1.678 4.832 -5.067 524 2HB SER 71 HB3 SER 71 2.557 5.963 -4.009 525 HG SER 71 HG SER 71 2.721 7.398 -5.629 526 H LYS 72 H LYS 72 3.943 5.864 -7.880 527 HA LYS 72 HA LYS 72 2.765 3.681 -9.258 528 1HB LYS 72 HB2 LYS 72 4.681 5.716 -10.424 529 2HB LYS 72 HB3 LYS 72 3.608 4.627 -11.282 530 1HG LYS 72 HG2 LYS 72 1.639 5.751 -9.995 531 2HG LYS 72 HG3 LYS 72 2.845 6.857 -9.363 532 1HD LYS 72 HD2 LYS 72 2.016 8.124 -11.040 533 2HD LYS 72 HD3 LYS 72 3.434 7.452 -11.809 534 1HE LYS 72 HE2 LYS 72 0.525 6.497 -12.107 535 2HE LYS 72 HE3 LYS 72 1.439 7.442 -13.291 536 1HZ LYS 72 HZ1 LYS 72 2.031 4.689 -12.454 537 2HZ LYS 72 HZ2 LYS 72 1.426 5.155 -13.911 538 3HZ LYS 72 HZ3 LYS 72 2.960 5.576 -13.483 539 H THR 73 H THR 73 6.125 4.309 -8.270 540 HA THR 73 HA THR 73 7.334 2.250 -9.875 541 HB THR 73 HB THR 73 8.327 3.640 -7.344 542 HG1 THR 73 HG1 THR 73 8.551 4.276 -10.100 543 1HG2 THR 73 HG21 THR 73 9.758 1.781 -7.717 544 2HG2 THR 73 HG22 THR 73 9.822 2.083 -9.473 545 3HG2 THR 73 HG23 THR 73 10.580 3.217 -8.330 546 H PHE 74 H PHE 74 5.271 2.054 -7.148 547 HA PHE 74 HA PHE 74 6.317 -0.655 -6.412 548 1HB PHE 74 HB2 PHE 74 4.717 1.376 -4.806 549 2HB PHE 74 HB3 PHE 74 4.992 -0.293 -4.328 550 HD1 PHE 74 HD1 PHE 74 6.215 2.980 -3.850 551 HD2 PHE 74 HD2 PHE 74 7.531 -1.098 -4.367 552 HE1 PHE 74 HE1 PHE 74 8.255 3.449 -2.505 553 HE2 PHE 74 HE2 PHE 74 9.629 -0.571 -3.168 554 HZ PHE 74 HZ PHE 74 10.011 1.715 -2.279 555 H ILE 75 H ILE 75 4.122 0.878 -8.395 556 HA ILE 75 HA ILE 75 1.749 -0.534 -7.585 557 HB ILE 75 HB ILE 75 2.166 1.639 -9.038 558 1HG1 ILE 75 HG12 ILE 75 0.039 0.834 -8.066 559 2HG1 ILE 75 HG13 ILE 75 -0.092 1.739 -9.573 560 1HG2 ILE 75 HG21 ILE 75 3.166 0.502 -11.009 561 2HG2 ILE 75 HG22 ILE 75 1.692 -0.433 -11.225 562 3HG2 ILE 75 HG23 ILE 75 1.656 1.332 -11.413 563 1HD1 ILE 75 HD11 ILE 75 -1.576 -0.222 -9.448 564 2HD1 ILE 75 HD12 ILE 75 -0.478 -0.290 -10.836 565 3HD1 ILE 75 HD13 ILE 75 -0.134 -1.256 -9.379 566 H ILE 76 H ILE 76 1.150 -2.578 -8.074 567 HA ILE 76 HA ILE 76 2.907 -4.165 -9.942 568 HB ILE 76 HB ILE 76 1.991 -6.122 -8.635 569 1HG1 ILE 76 HG12 ILE 76 1.342 -4.025 -6.503 570 2HG1 ILE 76 HG13 ILE 76 0.111 -4.726 -7.554 571 1HG2 ILE 76 HG21 ILE 76 4.289 -5.165 -8.447 572 2HG2 ILE 76 HG22 ILE 76 3.725 -4.106 -7.142 573 3HG2 ILE 76 HG23 ILE 76 3.735 -5.874 -6.939 574 1HD1 ILE 76 HD11 ILE 76 0.455 -6.909 -6.691 575 2HD1 ILE 76 HD12 ILE 76 1.912 -6.418 -5.816 576 3HD1 ILE 76 HD13 ILE 76 0.339 -5.792 -5.318 577 H GLY 77 H GLY 77 -0.460 -3.262 -9.215 578 1HA GLY 77 HA1 GLY 77 -1.415 -3.769 -11.786 579 2HA GLY 77 HA2 GLY 77 -1.734 -5.232 -10.814 580 H GLU 78 H GLU 78 -3.992 -4.643 -11.045 581 HA GLU 78 HA GLU 78 -4.902 -2.290 -9.462 582 1HB GLU 78 HB2 GLU 78 -5.473 -3.137 -12.307 583 2HB GLU 78 HB3 GLU 78 -6.664 -2.202 -11.397 584 1HG GLU 78 HG2 GLU 78 -5.118 -0.413 -11.036 585 2HG GLU 78 HG3 GLU 78 -3.774 -1.327 -11.757 586 H LEU 79 H LEU 79 -7.242 -2.388 -9.014 587 HA LEU 79 HA LEU 79 -7.714 -4.778 -7.550 588 1HB LEU 79 HB2 LEU 79 -8.493 -2.497 -6.911 589 2HB LEU 79 HB3 LEU 79 -9.617 -2.507 -8.282 590 HG LEU 79 HG LEU 79 -10.724 -4.562 -7.296 591 1HD1 LEU 79 HD11 LEU 79 -9.298 -5.685 -5.910 592 2HD1 LEU 79 HD12 LEU 79 -8.469 -4.209 -5.352 593 3HD1 LEU 79 HD13 LEU 79 -10.040 -4.653 -4.672 594 1HD2 LEU 79 HD21 LEU 79 -11.649 -2.426 -6.954 595 2HD2 LEU 79 HD22 LEU 79 -11.827 -3.375 -5.480 596 3HD2 LEU 79 HD23 LEU 79 -10.574 -2.095 -5.566 597 H HIS 80 H HIS 80 -8.745 -6.580 -8.118 598 HA HIS 80 HA HIS 80 -9.325 -7.335 -10.684 599 1HB HIS 80 HB2 HIS 80 -9.103 -8.697 -8.590 600 2HB HIS 80 HB3 HIS 80 -10.820 -8.424 -8.283 601 HD1 HIS 80 HD1 HIS 80 -12.356 -10.163 -9.582 602 HD2 HIS 80 HD2 HIS 80 -8.324 -10.100 -10.761 603 HE1 HIS 80 HE1 HIS 80 -12.048 -12.110 -11.182 604 HA PRO 81 HA PRO 81 -13.085 -5.322 -11.855 605 1HB PRO 81 HB2 PRO 81 -13.938 -6.942 -13.903 606 2HB PRO 81 HB3 PRO 81 -12.594 -5.771 -14.027 607 1HG PRO 81 HG2 PRO 81 -12.397 -8.738 -13.441 608 2HG PRO 81 HG3 PRO 81 -11.466 -7.795 -14.647 609 1HD PRO 81 HD2 PRO 81 -10.436 -8.389 -12.268 610 2HD PRO 81 HD3 PRO 81 -10.176 -6.756 -12.940 611 H ASP 82 H ASP 82 -12.968 -8.402 -10.352 612 HA ASP 82 HA ASP 82 -15.925 -8.608 -10.207 613 1HB ASP 82 HB2 ASP 82 -14.266 -10.593 -10.667 614 2HB ASP 82 HB3 ASP 82 -14.016 -10.533 -8.891 615 H ASP 83 H ASP 83 -13.346 -7.111 -8.442 616 HA ASP 83 HA ASP 83 -14.349 -7.827 -5.773 617 1HB ASP 83 HB2 ASP 83 -12.102 -8.097 -6.037 618 2HB ASP 83 HB3 ASP 83 -11.884 -6.574 -6.959 619 H ARG 84 H ARG 84 -13.919 -4.924 -7.827 620 HA ARG 84 HA ARG 84 -15.014 -3.093 -5.943 621 1HB ARG 84 HB2 ARG 84 -15.176 -1.519 -7.637 622 2HB ARG 84 HB3 ARG 84 -13.700 -2.430 -7.994 623 1HG ARG 84 HG2 ARG 84 -16.386 -2.887 -9.394 624 2HG ARG 84 HG3 ARG 84 -15.196 -1.722 -9.923 625 1HD ARG 84 HD2 ARG 84 -14.783 -4.726 -9.633 626 2HD ARG 84 HD3 ARG 84 -15.032 -3.906 -11.145 627 HE ARG 84 HE ARG 84 -12.550 -4.226 -9.751 628 1HH1 ARG 84 HH11 ARG 84 -10.793 -1.950 -11.840 629 2HH1 ARG 84 HH12 ARG 84 -10.631 -3.280 -10.740 630 1HH2 ARG 84 HH21 ARG 84 -12.957 -1.216 -12.495 631 2HH2 ARG 84 HH22 ARG 84 -14.338 -1.962 -11.747 632 HHA HEM 201 HGM HEM 201 4.225 11.126 5.004 633 HHB HEM 201 HDM HEM 201 5.704 7.926 -0.409 634 HHC HEM 201 HAM HEM 201 1.090 3.640 0.904 635 HHD HEM 201 HBM HEM 201 -0.054 6.540 6.565 636 1HMA HEM 201 HM81 HEM 201 7.790 10.235 0.833 637 2HMA HEM 201 HM82 HEM 201 6.681 9.896 -0.505 638 3HMA HEM 201 HM83 HEM 201 6.658 11.476 0.257 639 1HAA HEM 201 HAA1 HEM 201 6.078 12.081 3.994 640 2HAA HEM 201 HAA2 HEM 201 6.671 12.367 2.368 641 1HBA HEM 201 HBA1 HEM 201 4.933 14.009 3.266 642 2HBA HEM 201 HBA2 HEM 201 3.731 12.728 3.084 643 1HMB HEM 201 HM11 HEM 201 6.076 5.602 -1.594 644 2HMB HEM 201 HM12 HEM 201 4.816 4.855 -2.574 645 3HMB HEM 201 HM13 HEM 201 4.952 6.621 -2.520 646 HAB HEM 201 HT2A HEM 201 2.755 2.728 -1.094 647 1HBB HEM 201 HV2C HEM 201 1.289 4.970 -2.446 648 2HBB HEM 201 HV2T HEM 201 1.354 3.157 -2.898 649 1HMC HEM 201 HM31 HEM 201 -0.480 2.488 1.958 650 2HMC HEM 201 HM32 HEM 201 -1.138 2.265 3.587 651 3HMC HEM 201 HM33 HEM 201 -1.923 3.390 2.471 652 HAC HEM 201 HT4A HEM 201 -2.235 5.308 5.620 653 1HBC HEM 201 HV4C HEM 201 -0.879 2.595 6.038 654 2HBC HEM 201 HV4T HEM 201 -2.178 3.397 7.111 655 1HMD HEM 201 HM51 HEM 201 0.471 9.548 8.582 656 2HMD HEM 201 HM52 HEM 201 0.179 7.821 8.316 657 3HMD HEM 201 HM53 HEM 201 1.709 8.358 9.010 658 1HAD HEM 201 HAD1 HEM 201 3.103 10.359 8.492 659 2HAD HEM 201 HAD2 HEM 201 3.891 11.235 7.206 660 1HBD HEM 201 HBD1 HEM 201 2.223 12.773 7.040 661 2HBD HEM 201 HBD2 HEM 201 0.962 11.625 7.487 Start of MODEL 24 1 1H ALA 3 H1 ALA 3 1.599 -5.337 -20.040 2 2H ALA 3 H2 ALA 3 2.555 -6.647 -19.808 3 3H ALA 3 H3 ALA 3 1.917 -6.347 -21.311 4 HA ALA 3 HA ALA 3 -0.277 -6.782 -20.527 5 1HB ALA 3 HB1 ALA 3 1.703 -8.936 -19.645 6 2HB ALA 3 HB2 ALA 3 -0.039 -9.172 -19.880 7 3HB ALA 3 HB3 ALA 3 0.993 -8.764 -21.265 8 H VAL 4 H VAL 4 -1.627 -6.317 -18.807 9 HA VAL 4 HA VAL 4 -0.360 -5.986 -16.142 10 HB VAL 4 HB VAL 4 -1.295 -3.965 -17.165 11 1HG1 VAL 4 HG11 VAL 4 -3.172 -4.749 -18.478 12 2HG1 VAL 4 HG12 VAL 4 -3.979 -5.414 -17.039 13 3HG1 VAL 4 HG13 VAL 4 -3.782 -3.665 -17.218 14 1HG2 VAL 4 HG21 VAL 4 -2.331 -3.142 -15.221 15 2HG2 VAL 4 HG22 VAL 4 -2.964 -4.730 -14.754 16 3HG2 VAL 4 HG23 VAL 4 -1.218 -4.397 -14.661 17 H LYS 5 H LYS 5 -1.552 -6.754 -14.309 18 HA LYS 5 HA LYS 5 -3.656 -8.736 -14.786 19 1HB LYS 5 HB2 LYS 5 -2.649 -10.305 -13.225 20 2HB LYS 5 HB3 LYS 5 -1.689 -10.164 -14.691 21 1HG LYS 5 HG2 LYS 5 -0.989 -8.451 -12.281 22 2HG LYS 5 HG3 LYS 5 -0.622 -10.166 -12.222 23 1HD LYS 5 HD2 LYS 5 0.317 -8.402 -14.520 24 2HD LYS 5 HD3 LYS 5 1.223 -8.571 -13.011 25 1HE LYS 5 HE2 LYS 5 1.385 -11.016 -13.328 26 2HE LYS 5 HE3 LYS 5 0.407 -10.925 -14.798 27 1HZ LYS 5 HZ1 LYS 5 2.135 -9.553 -15.773 28 2HZ LYS 5 HZ2 LYS 5 3.064 -9.722 -14.422 29 3HZ LYS 5 HZ3 LYS 5 2.697 -11.038 -15.337 30 H TYR 6 H TYR 6 -4.721 -9.195 -12.640 31 HA TYR 6 HA TYR 6 -4.606 -6.797 -10.946 32 1HB TYR 6 HB2 TYR 6 -7.063 -8.385 -11.753 33 2HB TYR 6 HB3 TYR 6 -6.940 -6.870 -10.847 34 HD1 TYR 6 HD1 TYR 6 -6.436 -8.394 -14.228 35 HD2 TYR 6 HD2 TYR 6 -7.182 -4.808 -11.979 36 HE1 TYR 6 HE1 TYR 6 -6.570 -7.109 -16.333 37 HE2 TYR 6 HE2 TYR 6 -7.356 -3.514 -14.093 38 HH TYR 6 HH TYR 6 -6.734 -5.007 -17.276 39 H TYR 7 H TYR 7 -5.336 -7.227 -8.734 40 HA TYR 7 HA TYR 7 -5.120 -10.104 -7.922 41 1HB TYR 7 HB2 TYR 7 -4.049 -7.736 -6.380 42 2HB TYR 7 HB3 TYR 7 -3.835 -9.447 -6.021 43 HD1 TYR 7 HD1 TYR 7 -2.195 -6.622 -7.299 44 HD2 TYR 7 HD2 TYR 7 -2.759 -10.809 -8.160 45 HE1 TYR 7 HE1 TYR 7 -0.210 -6.589 -8.770 46 HE2 TYR 7 HE2 TYR 7 -0.764 -10.774 -9.611 47 HH TYR 7 HH TYR 7 1.022 -9.518 -10.369 48 H THR 8 H THR 8 -6.745 -10.803 -6.585 49 HA THR 8 HA THR 8 -9.063 -9.090 -6.129 50 HB THR 8 HB THR 8 -9.771 -11.215 -4.863 51 HG1 THR 8 HG1 THR 8 -7.363 -11.654 -4.663 52 1HG2 THR 8 HG21 THR 8 -9.966 -12.654 -6.861 53 2HG2 THR 8 HG22 THR 8 -10.405 -10.979 -7.224 54 3HG2 THR 8 HG23 THR 8 -8.817 -11.625 -7.731 55 H LEU 9 H LEU 9 -9.847 -8.505 -4.027 56 HA LEU 9 HA LEU 9 -8.057 -7.478 -2.199 57 1HB LEU 9 HB2 LEU 9 -10.790 -7.603 -2.471 58 2HB LEU 9 HB3 LEU 9 -10.589 -8.515 -1.005 59 HG LEU 9 HG LEU 9 -9.314 -5.777 -1.460 60 1HD1 LEU 9 HD11 LEU 9 -11.389 -4.940 -1.439 61 2HD1 LEU 9 HD12 LEU 9 -12.118 -6.421 -0.794 62 3HD1 LEU 9 HD13 LEU 9 -11.350 -5.255 0.301 63 1HD2 LEU 9 HD21 LEU 9 -8.429 -7.314 0.423 64 2HD2 LEU 9 HD22 LEU 9 -8.911 -5.678 0.863 65 3HD2 LEU 9 HD23 LEU 9 -9.991 -7.038 1.217 66 H GLU 10 H GLU 10 -9.547 -10.713 -2.185 67 HA GLU 10 HA GLU 10 -8.502 -11.749 0.148 68 1HB GLU 10 HB2 GLU 10 -10.086 -12.839 -1.502 69 2HB GLU 10 HB3 GLU 10 -8.677 -13.343 -2.428 70 1HG GLU 10 HG2 GLU 10 -9.312 -15.166 -0.974 71 2HG GLU 10 HG3 GLU 10 -7.785 -14.514 -0.383 72 H GLU 11 H GLU 11 -6.930 -12.336 -3.026 73 HA GLU 11 HA GLU 11 -4.539 -13.326 -2.022 74 1HB GLU 11 HB2 GLU 11 -5.467 -12.442 -4.634 75 2HB GLU 11 HB3 GLU 11 -3.848 -11.802 -4.364 76 1HG GLU 11 HG2 GLU 11 -3.725 -13.962 -5.449 77 2HG GLU 11 HG3 GLU 11 -3.038 -14.085 -3.824 78 H ILE 12 H ILE 12 -5.341 -9.886 -2.636 79 HA ILE 12 HA ILE 12 -2.788 -8.880 -1.831 80 HB ILE 12 HB ILE 12 -5.524 -7.578 -1.663 81 1HG1 ILE 12 HG12 ILE 12 -3.473 -7.250 -3.904 82 2HG1 ILE 12 HG13 ILE 12 -4.735 -8.459 -3.998 83 1HG2 ILE 12 HG21 ILE 12 -4.495 -5.470 -1.507 84 2HG2 ILE 12 HG22 ILE 12 -3.484 -6.433 -0.430 85 3HG2 ILE 12 HG23 ILE 12 -2.931 -6.071 -2.064 86 1HD1 ILE 12 HD11 ILE 12 -6.475 -6.780 -3.773 87 2HD1 ILE 12 HD12 ILE 12 -5.238 -5.499 -3.668 88 3HD1 ILE 12 HD13 ILE 12 -5.435 -6.431 -5.152 89 H GLN 13 H GLN 13 -5.716 -9.727 0.012 90 HA GLN 13 HA GLN 13 -4.932 -8.849 2.600 91 1HB GLN 13 HB2 GLN 13 -7.090 -10.488 1.442 92 2HB GLN 13 HB3 GLN 13 -6.611 -11.013 3.030 93 1HG GLN 13 HG2 GLN 13 -7.124 -8.066 2.516 94 2HG GLN 13 HG3 GLN 13 -8.482 -9.178 2.648 95 1HE2 GLN 13 HE21 GLN 13 -7.119 -6.965 4.536 96 2HE2 GLN 13 HE22 GLN 13 -7.190 -7.805 6.074 97 H LYS 14 H LYS 14 -4.302 -11.909 0.850 98 HA LYS 14 HA LYS 14 -2.982 -13.136 3.095 99 1HB LYS 14 HB2 LYS 14 -2.699 -13.538 0.088 100 2HB LYS 14 HB3 LYS 14 -1.723 -14.405 1.264 101 1HG LYS 14 HG2 LYS 14 -4.330 -14.630 2.293 102 2HG LYS 14 HG3 LYS 14 -4.600 -14.727 0.571 103 1HD LYS 14 HD2 LYS 14 -2.413 -16.412 1.905 104 2HD LYS 14 HD3 LYS 14 -4.111 -16.835 2.099 105 1HE LYS 14 HE2 LYS 14 -4.192 -16.636 -0.563 106 2HE LYS 14 HE3 LYS 14 -2.444 -16.860 -0.438 107 1HZ LYS 14 HZ1 LYS 14 -4.525 -18.643 0.653 108 2HZ LYS 14 HZ2 LYS 14 -3.655 -18.917 -0.711 109 3HZ LYS 14 HZ3 LYS 14 -2.902 -18.919 0.758 110 H HIS 15 H HIS 15 -2.025 -10.334 1.326 111 HA HIS 15 HA HIS 15 0.798 -10.651 2.255 112 1HB HIS 15 HB2 HIS 15 -0.407 -8.864 0.119 113 2HB HIS 15 HB3 HIS 15 1.243 -8.773 0.715 114 HD1 HIS 15 HD1 HIS 15 2.566 -9.549 -1.365 115 HD2 HIS 15 HD2 HIS 15 -0.711 -12.016 -0.428 116 HE1 HIS 15 HE1 HIS 15 2.687 -11.571 -2.917 117 H ASN 16 H ASN 16 -0.396 -10.320 4.406 118 HA ASN 16 HA ASN 16 0.303 -7.587 5.197 119 1HB ASN 16 HB2 ASN 16 -1.806 -7.103 6.353 120 2HB ASN 16 HB3 ASN 16 -2.043 -7.284 4.609 121 1HD2 ASN 16 HD21 ASN 16 -4.341 -7.520 5.318 122 2HD2 ASN 16 HD22 ASN 16 -4.840 -9.188 5.593 123 H ASN 17 H ASN 17 1.565 -10.053 5.771 124 HA ASN 17 HA ASN 17 0.530 -10.846 8.464 125 1HB ASN 17 HB2 ASN 17 1.342 -12.418 6.362 126 2HB ASN 17 HB3 ASN 17 2.764 -12.471 7.403 127 1HD2 ASN 17 HD21 ASN 17 2.289 -13.022 9.834 128 2HD2 ASN 17 HD22 ASN 17 0.982 -14.168 10.070 129 H SER 18 H SER 18 3.824 -10.459 7.084 130 HA SER 18 HA SER 18 4.699 -8.985 9.524 131 1HB SER 18 HB2 SER 18 6.744 -10.433 9.546 132 2HB SER 18 HB3 SER 18 5.264 -11.303 9.989 133 HG SER 18 HG SER 18 6.558 -12.452 8.443 134 H LYS 19 H LYS 19 6.080 -10.464 6.644 135 HA LYS 19 HA LYS 19 7.256 -7.878 5.742 136 1HB LYS 19 HB2 LYS 19 7.585 -10.758 4.788 137 2HB LYS 19 HB3 LYS 19 8.193 -9.347 3.909 138 1HG LYS 19 HG2 LYS 19 8.995 -8.827 6.539 139 2HG LYS 19 HG3 LYS 19 9.161 -10.574 6.453 140 1HD LYS 19 HD2 LYS 19 10.859 -10.465 4.873 141 2HD LYS 19 HD3 LYS 19 10.303 -8.933 4.174 142 1HE LYS 19 HE2 LYS 19 11.257 -7.583 5.735 143 2HE LYS 19 HE3 LYS 19 11.223 -8.783 7.032 144 1HZ LYS 19 HZ1 LYS 19 13.184 -9.555 6.481 145 2HZ LYS 19 HZ2 LYS 19 12.953 -9.467 4.853 146 3HZ LYS 19 HZ3 LYS 19 13.396 -8.125 5.702 147 H SER 20 H SER 20 5.641 -10.385 3.698 148 HA SER 20 HA SER 20 4.780 -8.832 1.701 149 1HB SER 20 HB2 SER 20 3.113 -10.984 3.025 150 2HB SER 20 HB3 SER 20 2.977 -10.383 1.356 151 HG SER 20 HG SER 20 4.312 -12.158 1.295 152 H THR 21 H THR 21 4.088 -6.802 1.854 153 HA THR 21 HA THR 21 1.561 -6.197 3.344 154 HB THR 21 HB THR 21 4.177 -4.668 3.402 155 HG1 THR 21 HG1 THR 21 2.906 -6.386 5.010 156 1HG2 THR 21 HG21 THR 21 3.016 -2.757 3.509 157 2HG2 THR 21 HG22 THR 21 1.461 -3.590 3.477 158 3HG2 THR 21 HG23 THR 21 2.305 -3.354 5.015 159 H TRP 22 H TRP 22 0.337 -6.300 1.527 160 HA TRP 22 HA TRP 22 0.853 -4.249 -0.597 161 1HB TRP 22 HB2 TRP 22 -0.771 -6.823 -0.619 162 2HB TRP 22 HB3 TRP 22 -0.775 -5.598 -1.874 163 HD1 TRP 22 HD1 TRP 22 2.748 -5.958 -0.960 164 HE1 TRP 22 HE1 TRP 22 3.964 -7.227 -2.736 165 HE3 TRP 22 HE3 TRP 22 -1.306 -7.953 -3.312 166 HZ2 TRP 22 HZ2 TRP 22 3.255 -8.956 -5.023 167 HZ3 TRP 22 HZ3 TRP 22 -1.041 -9.477 -5.205 168 HH2 TRP 22 HH2 TRP 22 1.247 -9.916 -6.159 169 H LEU 23 H LEU 23 -1.348 -3.410 -1.433 170 HA LEU 23 HA LEU 23 -3.570 -3.327 0.323 171 1HB LEU 23 HB2 LEU 23 -3.215 -0.853 0.961 172 2HB LEU 23 HB3 LEU 23 -2.421 -2.102 1.867 173 HG LEU 23 HG LEU 23 -0.304 -1.711 0.416 174 1HD1 LEU 23 HD11 LEU 23 -0.302 0.728 -0.430 175 2HD1 LEU 23 HD12 LEU 23 -1.156 -0.464 -1.433 176 3HD1 LEU 23 HD13 LEU 23 -2.056 0.607 -0.345 177 1HD2 LEU 23 HD21 LEU 23 -0.408 -1.040 2.703 178 2HD2 LEU 23 HD22 LEU 23 0.299 0.264 1.725 179 3HD2 LEU 23 HD23 LEU 23 -1.393 0.384 2.291 180 H ILE 24 H ILE 24 -5.012 -1.362 -0.400 181 HA ILE 24 HA ILE 24 -4.727 -1.043 -3.337 182 HB ILE 24 HB ILE 24 -7.215 -1.626 -1.742 183 1HG1 ILE 24 HG12 ILE 24 -6.195 -2.946 -4.282 184 2HG1 ILE 24 HG13 ILE 24 -5.564 -3.457 -2.713 185 1HG2 ILE 24 HG21 ILE 24 -7.890 0.111 -3.257 186 2HG2 ILE 24 HG22 ILE 24 -6.845 -0.516 -4.552 187 3HG2 ILE 24 HG23 ILE 24 -8.313 -1.384 -4.088 188 1HD1 ILE 24 HD11 ILE 24 -7.688 -4.188 -1.955 189 2HD1 ILE 24 HD12 ILE 24 -8.550 -3.390 -3.248 190 3HD1 ILE 24 HD13 ILE 24 -7.531 -4.811 -3.571 191 H LEU 25 H LEU 25 -4.323 0.950 -3.823 192 HA LEU 25 HA LEU 25 -5.535 3.255 -2.314 193 1HB LEU 25 HB2 LEU 25 -2.789 2.815 -3.448 194 2HB LEU 25 HB3 LEU 25 -3.489 4.427 -3.380 195 HG LEU 25 HG LEU 25 -3.159 4.734 -1.269 196 1HD1 LEU 25 HD11 LEU 25 -4.616 3.219 -0.379 197 2HD1 LEU 25 HD12 LEU 25 -3.632 1.828 -0.812 198 3HD1 LEU 25 HD13 LEU 25 -3.098 2.935 0.477 199 1HD2 LEU 25 HD21 LEU 25 -1.013 3.726 -0.537 200 2HD2 LEU 25 HD22 LEU 25 -1.136 2.524 -1.828 201 3HD2 LEU 25 HD23 LEU 25 -0.959 4.246 -2.223 202 H HIS 26 H HIS 26 -7.348 3.335 -3.584 203 HA HIS 26 HA HIS 26 -8.603 4.045 -5.312 204 1HB HIS 26 HB2 HIS 26 -6.118 4.954 -6.793 205 2HB HIS 26 HB3 HIS 26 -7.777 5.498 -6.996 206 HD1 HIS 26 HD1 HIS 26 -8.647 7.322 -5.197 207 HD2 HIS 26 HD2 HIS 26 -4.720 5.902 -4.728 208 HE1 HIS 26 HE1 HIS 26 -7.505 8.889 -3.557 209 H TYR 27 H TYR 27 -8.424 1.444 -5.314 210 HA TYR 27 HA TYR 27 -8.729 -0.418 -6.552 211 1HB TYR 27 HB2 TYR 27 -8.905 1.429 -8.967 212 2HB TYR 27 HB3 TYR 27 -9.529 -0.198 -8.814 213 HD1 TYR 27 HD1 TYR 27 -10.013 3.333 -7.661 214 HD2 TYR 27 HD2 TYR 27 -11.725 -0.599 -8.007 215 HE1 TYR 27 HE1 TYR 27 -12.133 4.163 -6.697 216 HE2 TYR 27 HE2 TYR 27 -13.841 0.227 -7.068 217 HH TYR 27 HH TYR 27 -14.980 2.052 -6.253 218 H LYS 28 H LYS 28 -5.914 0.791 -6.295 219 HA LYS 28 HA LYS 28 -4.537 -0.726 -8.460 220 1HB LYS 28 HB2 LYS 28 -3.941 2.006 -7.287 221 2HB LYS 28 HB3 LYS 28 -2.804 1.089 -8.254 222 1HG LYS 28 HG2 LYS 28 -5.187 1.105 -9.774 223 2HG LYS 28 HG3 LYS 28 -5.154 2.689 -8.981 224 1HD LYS 28 HD2 LYS 28 -2.720 2.886 -9.791 225 2HD LYS 28 HD3 LYS 28 -3.049 1.431 -10.763 226 1HE LYS 28 HE2 LYS 28 -5.264 3.037 -11.332 227 2HE LYS 28 HE3 LYS 28 -4.000 4.253 -11.115 228 1HZ LYS 28 HZ1 LYS 28 -4.184 3.467 -13.409 229 2HZ LYS 28 HZ2 LYS 28 -2.727 2.936 -12.806 230 3HZ LYS 28 HZ3 LYS 28 -3.988 1.923 -12.928 231 H VAL 29 H VAL 29 -2.831 -1.993 -7.763 232 HA VAL 29 HA VAL 29 -2.599 -2.214 -4.819 233 HB VAL 29 HB VAL 29 -1.715 -4.250 -6.856 234 1HG1 VAL 29 HG11 VAL 29 -0.885 -4.390 -4.434 235 2HG1 VAL 29 HG12 VAL 29 -2.575 -4.507 -3.930 236 3HG1 VAL 29 HG13 VAL 29 -1.867 -5.773 -4.948 237 1HG2 VAL 29 HG21 VAL 29 -4.416 -3.995 -5.469 238 2HG2 VAL 29 HG22 VAL 29 -4.124 -3.847 -7.213 239 3HG2 VAL 29 HG23 VAL 29 -3.867 -5.392 -6.416 240 H TYR 30 H TYR 30 -0.715 -1.881 -3.794 241 HA TYR 30 HA TYR 30 1.715 -1.150 -5.388 242 1HB TYR 30 HB2 TYR 30 0.615 0.049 -2.818 243 2HB TYR 30 HB3 TYR 30 2.138 0.484 -3.563 244 HD1 TYR 30 HD1 TYR 30 -1.565 0.611 -3.909 245 HD2 TYR 30 HD2 TYR 30 2.164 1.704 -5.702 246 HE1 TYR 30 HE1 TYR 30 -2.749 2.063 -5.511 247 HE2 TYR 30 HE2 TYR 30 0.924 3.219 -7.288 248 HH TYR 30 HH TYR 30 -1.036 4.337 -7.631 249 H ASP 31 H ASP 31 3.370 -2.566 -4.973 250 HA ASP 31 HA ASP 31 3.307 -4.142 -2.456 251 1HB ASP 31 HB2 ASP 31 4.136 -5.417 -4.357 252 2HB ASP 31 HB3 ASP 31 5.326 -4.148 -4.725 253 H LEU 32 H LEU 32 4.262 -3.370 -0.692 254 HA LEU 32 HA LEU 32 6.588 -1.571 -0.962 255 1HB LEU 32 HB2 LEU 32 4.553 -1.102 1.158 256 2HB LEU 32 HB3 LEU 32 5.778 -0.021 0.647 257 HG LEU 32 HG LEU 32 3.757 -0.559 -1.520 258 1HD1 LEU 32 HD11 LEU 32 1.938 0.458 -0.514 259 2HD1 LEU 32 HD12 LEU 32 2.463 -0.782 0.588 260 3HD1 LEU 32 HD13 LEU 32 2.908 0.900 0.932 261 1HD2 LEU 32 HD21 LEU 32 5.682 1.056 -1.563 262 2HD2 LEU 32 HD22 LEU 32 4.107 1.687 -2.029 263 3HD2 LEU 32 HD23 LEU 32 4.776 2.057 -0.412 264 H THR 33 H THR 33 5.945 -4.530 -0.371 265 HA THR 33 HA THR 33 6.192 -5.063 2.382 266 HB THR 33 HB THR 33 5.619 -6.665 0.561 267 HG1 THR 33 HG1 THR 33 6.802 -8.398 1.571 268 1HG2 THR 33 HG21 THR 33 7.576 -6.162 -0.972 269 2HG2 THR 33 HG22 THR 33 8.582 -7.103 0.152 270 3HG2 THR 33 HG23 THR 33 7.186 -7.859 -0.654 271 H LYS 34 H LYS 34 8.632 -4.365 -0.036 272 HA LYS 34 HA LYS 34 10.805 -4.655 1.973 273 1HB LYS 34 HB2 LYS 34 10.642 -5.388 -0.739 274 2HB LYS 34 HB3 LYS 34 11.627 -3.922 -0.761 275 1HG LYS 34 HG2 LYS 34 12.974 -4.965 1.158 276 2HG LYS 34 HG3 LYS 34 12.030 -6.453 0.882 277 1HD LYS 34 HD2 LYS 34 12.840 -6.371 -1.542 278 2HD LYS 34 HD3 LYS 34 13.882 -5.021 -1.066 279 1HE LYS 34 HE2 LYS 34 14.358 -7.049 0.889 280 2HE LYS 34 HE3 LYS 34 14.207 -7.938 -0.629 281 1HZ LYS 34 HZ1 LYS 34 16.037 -5.676 -0.131 282 2HZ LYS 34 HZ2 LYS 34 16.462 -7.263 -0.145 283 3HZ LYS 34 HZ3 LYS 34 15.946 -6.543 -1.531 284 H PHE 35 H PHE 35 8.701 -2.438 1.841 285 HA PHE 35 HA PHE 35 10.622 -0.190 1.943 286 1HB PHE 35 HB2 PHE 35 8.845 -0.505 -0.118 287 2HB PHE 35 HB3 PHE 35 7.852 0.302 1.030 288 HD1 PHE 35 HD1 PHE 35 7.695 2.632 0.723 289 HD2 PHE 35 HD2 PHE 35 11.465 0.663 -0.059 290 HE1 PHE 35 HE1 PHE 35 8.732 4.812 0.158 291 HE2 PHE 35 HE2 PHE 35 12.488 2.829 -0.585 292 HZ PHE 35 HZ PHE 35 11.120 4.914 -0.537 293 H LEU 36 H LEU 36 9.032 -2.087 3.892 294 HA LEU 36 HA LEU 36 7.069 -0.470 5.155 295 1HB LEU 36 HB2 LEU 36 8.756 -2.794 6.191 296 2HB LEU 36 HB3 LEU 36 7.366 -2.121 7.045 297 HG LEU 36 HG LEU 36 7.184 -3.208 4.218 298 1HD1 LEU 36 HD11 LEU 36 6.431 -4.666 6.766 299 2HD1 LEU 36 HD12 LEU 36 6.308 -5.224 5.096 300 3HD1 LEU 36 HD13 LEU 36 7.901 -4.973 5.819 301 1HD2 LEU 36 HD21 LEU 36 4.713 -3.374 5.541 302 2HD2 LEU 36 HD22 LEU 36 5.335 -1.795 6.009 303 3HD2 LEU 36 HD23 LEU 36 5.184 -2.204 4.290 304 H GLU 37 H GLU 37 10.378 -1.245 6.264 305 HA GLU 37 HA GLU 37 10.400 0.762 8.330 306 1HB GLU 37 HB2 GLU 37 12.168 -1.375 7.428 307 2HB GLU 37 HB3 GLU 37 13.071 0.137 7.451 308 1HG GLU 37 HG2 GLU 37 12.084 0.477 9.833 309 2HG GLU 37 HG3 GLU 37 11.663 -1.241 9.753 310 H GLU 38 H GLU 38 11.271 0.678 4.894 311 HA GLU 38 HA GLU 38 12.873 3.029 4.845 312 1HB GLU 38 HB2 GLU 38 11.240 1.723 2.664 313 2HB GLU 38 HB3 GLU 38 12.466 2.928 2.406 314 1HG GLU 38 HG2 GLU 38 13.737 0.898 3.978 315 2HG GLU 38 HG3 GLU 38 12.837 0.063 2.703 316 H HIS 39 HN HIS 39 9.401 2.436 4.206 317 HA HIS 39 HA HIS 39 8.672 4.959 3.243 318 1HB HIS 39 HB2 HIS 39 7.160 3.159 3.055 319 2HB HIS 39 HB3 HIS 39 7.160 2.900 4.799 320 HD1 HIS 39 HND HIS 39 5.211 3.863 6.055 321 HD2 HIS 39 HD HIS 39 5.870 5.716 2.336 322 HE1 HIS 39 HE HIS 39 3.287 5.438 5.702 323 HA PRO 40 HA PRO 40 9.569 6.978 7.212 324 1HB PRO 40 HB2 PRO 40 9.750 9.566 6.372 325 2HB PRO 40 HB3 PRO 40 10.999 8.332 6.053 326 1HG PRO 40 HG2 PRO 40 8.894 9.368 4.163 327 2HG PRO 40 HG3 PRO 40 10.603 8.951 3.832 328 1HD PRO 40 HD2 PRO 40 8.388 7.297 3.351 329 2HD PRO 40 HD3 PRO 40 10.076 6.744 3.495 330 H GLY 41 H GLY 41 7.436 6.122 7.680 331 1HA GLY 41 HA1 GLY 41 5.607 8.254 8.464 332 2HA GLY 41 HA2 GLY 41 4.943 7.132 7.247 333 H GLY 42 H GLY 42 6.187 4.737 8.161 334 1HA GLY 42 HA1 GLY 42 6.382 3.924 10.638 335 2HA GLY 42 HA2 GLY 42 4.640 4.183 10.642 336 H GLU 43 H GLU 43 6.756 1.827 10.408 337 HA GLU 43 HA GLU 43 5.951 0.312 8.068 338 1HB GLU 43 HB2 GLU 43 7.164 -1.486 9.083 339 2HB GLU 43 HB3 GLU 43 8.145 -0.026 9.112 340 1HG GLU 43 HG2 GLU 43 6.688 -1.185 11.543 341 2HG GLU 43 HG3 GLU 43 8.373 -1.463 11.119 342 H ALA 44 H ALA 44 5.142 0.485 11.519 343 HA ALA 44 HA ALA 44 3.229 -1.610 11.601 344 1HB ALA 44 HB1 ALA 44 3.951 -0.675 13.672 345 2HB ALA 44 HB2 ALA 44 3.454 0.969 13.206 346 3HB ALA 44 HB3 ALA 44 2.228 -0.275 13.535 347 H VAL 45 H VAL 45 2.525 1.935 11.062 348 HA VAL 45 HA VAL 45 -0.208 1.421 10.486 349 HB VAL 45 HB VAL 45 0.510 3.660 11.011 350 1HG1 VAL 45 HG11 VAL 45 2.646 3.758 9.831 351 2HG1 VAL 45 HG12 VAL 45 1.819 3.765 8.254 352 3HG1 VAL 45 HG13 VAL 45 1.610 5.112 9.386 353 1HG2 VAL 45 HG21 VAL 45 -1.604 3.362 9.809 354 2HG2 VAL 45 HG22 VAL 45 -0.810 4.857 9.282 355 3HG2 VAL 45 HG23 VAL 45 -0.760 3.422 8.252 356 H LEU 46 H LEU 46 2.690 1.533 8.168 357 HA LEU 46 HA LEU 46 1.037 0.998 5.980 358 1HB LEU 46 HB2 LEU 46 3.895 0.880 6.540 359 2HB LEU 46 HB3 LEU 46 3.429 -0.502 5.549 360 HG LEU 46 HG LEU 46 2.721 2.382 4.903 361 1HD1 LEU 46 HD11 LEU 46 4.463 2.253 3.203 362 2HD1 LEU 46 HD12 LEU 46 5.172 1.829 4.781 363 3HD1 LEU 46 HD13 LEU 46 4.809 0.559 3.609 364 1HD2 LEU 46 HD21 LEU 46 2.589 -0.085 3.110 365 2HD2 LEU 46 HD22 LEU 46 1.169 0.551 3.937 366 3HD2 LEU 46 HD23 LEU 46 2.003 1.571 2.775 367 H ARG 47 H ARG 47 2.037 -1.229 8.542 368 HA ARG 47 HA ARG 47 1.311 -3.606 7.052 369 1HB ARG 47 HB2 ARG 47 2.691 -3.040 9.502 370 2HB ARG 47 HB3 ARG 47 1.258 -3.934 9.956 371 1HG ARG 47 HG2 ARG 47 2.403 -5.784 9.479 372 2HG ARG 47 HG3 ARG 47 2.092 -5.440 7.790 373 1HD ARG 47 HD2 ARG 47 4.349 -5.563 7.613 374 2HD ARG 47 HD3 ARG 47 4.283 -3.875 8.126 375 HE ARG 47 HE ARG 47 4.392 -6.035 10.182 376 1HH1 ARG 47 HH11 ARG 47 7.580 -5.191 11.347 377 2HH1 ARG 47 HH12 ARG 47 6.179 -6.184 11.593 378 1HH2 ARG 47 HH21 ARG 47 7.633 -3.661 9.552 379 2HH2 ARG 47 HH22 ARG 47 6.262 -3.581 8.485 380 H ALA 48 H ALA 48 -0.183 -1.647 9.637 381 HA ALA 48 HA ALA 48 -2.461 -3.322 9.997 382 1HB ALA 48 HB1 ALA 48 -2.148 -0.337 10.498 383 2HB ALA 48 HB2 ALA 48 -3.343 -1.428 11.259 384 3HB ALA 48 HB3 ALA 48 -1.602 -1.622 11.593 385 H GLN 49 H GLN 49 -1.838 -0.526 7.845 386 HA GLN 49 HA GLN 49 -4.496 -0.641 6.625 387 1HB GLN 49 HB2 GLN 49 -1.859 0.798 6.108 388 2HB GLN 49 HB3 GLN 49 -3.253 1.002 5.075 389 1HG GLN 49 HG2 GLN 49 -3.194 1.651 8.056 390 2HG GLN 49 HG3 GLN 49 -3.200 2.805 6.723 391 1HE2 GLN 49 HE21 GLN 49 -5.256 1.044 8.843 392 2HE2 GLN 49 HE22 GLN 49 -6.743 1.426 7.990 393 H ALA 50 H ALA 50 -1.733 -2.627 6.367 394 HA ALA 50 HA ALA 50 -1.847 -3.131 3.570 395 1HB ALA 50 HB1 ALA 50 -0.539 -5.052 3.950 396 2HB ALA 50 HB2 ALA 50 0.015 -3.827 5.113 397 3HB ALA 50 HB3 ALA 50 -1.018 -5.156 5.644 398 H GLY 51 H GLY 51 -2.890 -4.857 2.500 399 1HA GLY 51 HA1 GLY 51 -4.067 -6.977 2.943 400 2HA GLY 51 HA2 GLY 51 -5.283 -6.062 3.864 401 H GLY 52 H GLY 52 -5.346 -3.734 2.203 402 1HA GLY 52 HA1 GLY 52 -5.684 -3.562 -0.346 403 2HA GLY 52 HA2 GLY 52 -6.803 -4.894 -0.144 404 H ASP 53 H ASP 53 -6.412 -1.999 2.003 405 HA ASP 53 HA ASP 53 -8.603 -0.627 0.804 406 1HB ASP 53 HB2 ASP 53 -9.864 -2.509 2.010 407 2HB ASP 53 HB3 ASP 53 -9.268 -1.840 3.527 408 H ALA 54 H ALA 54 -6.751 0.846 0.905 409 HA ALA 54 HA ALA 54 -6.716 2.301 3.517 410 1HB ALA 54 HB1 ALA 54 -4.814 0.765 3.548 411 2HB ALA 54 HB2 ALA 54 -4.223 1.418 2.006 412 3HB ALA 54 HB3 ALA 54 -4.283 2.466 3.447 413 H THR 55 H THR 55 -7.823 2.667 0.686 414 HA THR 55 HA THR 55 -6.254 4.696 -0.602 415 HB THR 55 HB THR 55 -9.252 4.130 -0.769 416 HG1 THR 55 HG1 THR 55 -7.432 2.440 -1.320 417 1HG2 THR 55 HG21 THR 55 -7.278 5.523 -2.611 418 2HG2 THR 55 HG22 THR 55 -8.943 5.093 -3.071 419 3HG2 THR 55 HG23 THR 55 -8.652 6.291 -1.795 420 H ALA 56 H ALA 56 -9.199 4.940 1.417 421 HA ALA 56 HA ALA 56 -9.227 7.773 1.612 422 1HB ALA 56 HB1 ALA 56 -10.620 7.308 3.683 423 2HB ALA 56 HB2 ALA 56 -11.180 6.472 2.221 424 3HB ALA 56 HB3 ALA 56 -10.277 5.580 3.466 425 H ASN 57 H ASN 57 -7.641 5.301 3.654 426 HA ASN 57 HA ASN 57 -6.794 7.133 5.649 427 1HB ASN 57 HB2 ASN 57 -6.772 4.377 5.299 428 2HB ASN 57 HB3 ASN 57 -5.051 4.764 5.297 429 1HD2 ASN 57 HD21 ASN 57 -4.577 6.593 7.194 430 2HD2 ASN 57 HD22 ASN 57 -5.279 6.102 8.729 431 H PHE 58 H PHE 58 -5.109 5.825 2.780 432 HA PHE 58 HA PHE 58 -2.581 7.039 3.031 433 1HB PHE 58 HB2 PHE 58 -3.011 5.328 1.413 434 2HB PHE 58 HB3 PHE 58 -4.341 6.216 0.698 435 HD1 PHE 58 HD1 PHE 58 -0.675 6.656 1.296 436 HD2 PHE 58 HD2 PHE 58 -3.998 7.289 -1.356 437 HE1 PHE 58 HE1 PHE 58 0.884 7.458 -0.472 438 HE2 PHE 58 HE2 PHE 58 -2.476 8.183 -3.065 439 HZ PHE 58 HZ PHE 58 -0.011 8.231 -2.649 440 H GLU 59 H GLU 59 -5.509 8.190 1.280 441 HA GLU 59 HA GLU 59 -4.427 10.728 0.581 442 1HB GLU 59 HB2 GLU 59 -7.242 9.678 0.834 443 2HB GLU 59 HB3 GLU 59 -6.890 11.311 0.246 444 1HG GLU 59 HG2 GLU 59 -5.474 8.948 -1.003 445 2HG GLU 59 HG3 GLU 59 -7.139 9.298 -1.423 446 H ALA 60 H ALA 60 -6.395 9.683 3.386 447 HA ALA 60 HA ALA 60 -6.876 12.192 4.538 448 1HB ALA 60 HB1 ALA 60 -6.432 9.535 5.968 449 2HB ALA 60 HB2 ALA 60 -7.189 10.979 6.656 450 3HB ALA 60 HB3 ALA 60 -7.979 10.130 5.318 451 H VAL 61 H VAL 61 -4.084 9.964 5.044 452 HA VAL 61 HA VAL 61 -2.673 11.680 6.851 453 HB VAL 61 HB VAL 61 -1.719 9.593 4.848 454 1HG1 VAL 61 HG11 VAL 61 -0.128 11.259 6.842 455 2HG1 VAL 61 HG12 VAL 61 0.439 9.748 6.116 456 3HG1 VAL 61 HG13 VAL 61 0.146 11.132 5.088 457 1HG2 VAL 61 HG21 VAL 61 -1.287 8.307 6.926 458 2HG2 VAL 61 HG22 VAL 61 -1.913 9.651 7.898 459 3HG2 VAL 61 HG23 VAL 61 -2.996 8.757 6.816 460 H GLY 62 H GLY 62 -2.535 11.430 3.270 461 1HA GLY 62 HA1 GLY 62 -2.464 13.387 1.900 462 2HA GLY 62 HA2 GLY 62 -1.629 14.297 3.164 463 H HIS 63 HN HIS 63 -1.004 13.459 0.270 464 HA HIS 63 HA HIS 63 1.808 12.664 0.626 465 1HB HIS 63 HB2 HIS 63 -0.341 11.008 -0.770 466 2HB HIS 63 HB3 HIS 63 1.376 10.832 -1.103 467 HD1 HIS 63 HND HIS 63 -1.161 9.942 1.696 468 HD2 HIS 63 HD HIS 63 2.894 9.641 0.664 469 HE1 HIS 63 HE HIS 63 -0.143 8.287 3.310 470 H SER 64 H SER 64 2.836 14.162 -0.548 471 HA SER 64 HA SER 64 1.482 15.969 -2.319 472 1HB SER 64 HB2 SER 64 4.453 15.486 -1.794 473 2HB SER 64 HB3 SER 64 3.805 16.833 -2.743 474 HG SER 64 HG SER 64 3.581 16.354 0.015 475 H THR 65 H THR 65 2.422 16.458 -4.566 476 HA THR 65 HA THR 65 1.691 14.587 -6.457 477 HB THR 65 HB THR 65 3.196 15.947 -8.007 478 HG1 THR 65 HG1 THR 65 3.719 17.621 -5.810 479 1HG2 THR 65 HG21 THR 65 1.129 16.958 -7.984 480 2HG2 THR 65 HG22 THR 65 1.082 17.155 -6.226 481 3HG2 THR 65 HG23 THR 65 2.059 18.252 -7.222 482 H ASP 66 H ASP 66 5.050 15.315 -5.603 483 HA ASP 66 HA ASP 66 6.418 13.340 -6.871 484 1HB ASP 66 HB2 ASP 66 7.067 15.213 -5.013 485 2HB ASP 66 HB3 ASP 66 7.184 13.789 -3.981 486 H ALA 67 H ALA 67 4.838 12.947 -3.707 487 HA ALA 67 HA ALA 67 5.641 10.192 -3.255 488 1HB ALA 67 HB1 ALA 67 4.004 10.282 -1.445 489 2HB ALA 67 HB2 ALA 67 4.921 11.807 -1.494 490 3HB ALA 67 HB3 ALA 67 3.268 11.747 -2.106 491 H ARG 68 H ARG 68 2.708 11.859 -4.619 492 HA ARG 68 HA ARG 68 1.003 9.601 -5.034 493 1HB ARG 68 HB2 ARG 68 1.192 12.340 -6.328 494 2HB ARG 68 HB3 ARG 68 0.022 11.147 -6.861 495 1HG ARG 68 HG2 ARG 68 -1.193 11.204 -4.888 496 2HG ARG 68 HG3 ARG 68 0.149 11.849 -3.928 497 1HD ARG 68 HD2 ARG 68 -0.059 14.015 -4.883 498 2HD ARG 68 HD3 ARG 68 -1.175 13.496 -6.133 499 HE ARG 68 HE ARG 68 -1.636 13.923 -3.226 500 1HH1 ARG 68 HH11 ARG 68 -5.073 13.138 -3.365 501 2HH1 ARG 68 HH12 ARG 68 -3.880 14.030 -2.499 502 1HH2 ARG 68 HH21 ARG 68 -4.676 12.759 -5.693 503 2HH2 ARG 68 HH22 ARG 68 -3.024 12.717 -6.243 504 H GLU 69 H GLU 69 3.665 11.020 -6.958 505 HA GLU 69 HA GLU 69 3.212 9.300 -9.269 506 1HB GLU 69 HB2 GLU 69 5.093 11.425 -8.413 507 2HB GLU 69 HB3 GLU 69 5.787 10.221 -9.491 508 1HG GLU 69 HG2 GLU 69 3.093 11.428 -10.185 509 2HG GLU 69 HG3 GLU 69 4.573 12.353 -10.443 510 H LEU 70 H LEU 70 5.493 9.454 -6.526 511 HA LEU 70 HA LEU 70 7.006 7.253 -7.064 512 1HB LEU 70 HB2 LEU 70 7.370 8.849 -5.243 513 2HB LEU 70 HB3 LEU 70 5.976 8.179 -4.407 514 HG LEU 70 HG LEU 70 7.080 6.669 -3.395 515 1HD1 LEU 70 HD11 LEU 70 7.098 5.051 -4.865 516 2HD1 LEU 70 HD12 LEU 70 8.281 5.813 -5.975 517 3HD1 LEU 70 HD13 LEU 70 8.803 5.119 -4.425 518 1HD2 LEU 70 HD21 LEU 70 9.650 7.783 -4.524 519 2HD2 LEU 70 HD22 LEU 70 8.708 8.537 -3.209 520 3HD2 LEU 70 HD23 LEU 70 9.413 6.926 -2.982 521 H SER 71 H SER 71 3.882 7.240 -5.266 522 HA SER 71 HA SER 71 3.514 4.525 -4.959 523 1HB SER 71 HB2 SER 71 1.232 4.785 -4.834 524 2HB SER 71 HB3 SER 71 1.824 6.385 -4.391 525 HG SER 71 HG SER 71 1.287 7.064 -6.508 526 H LYS 72 H LYS 72 3.063 6.214 -8.128 527 HA LYS 72 HA LYS 72 2.165 3.918 -9.545 528 1HB LYS 72 HB2 LYS 72 3.624 6.378 -10.541 529 2HB LYS 72 HB3 LYS 72 2.963 5.133 -11.568 530 1HG LYS 72 HG2 LYS 72 1.115 6.331 -9.490 531 2HG LYS 72 HG3 LYS 72 1.579 7.324 -10.878 532 1HD LYS 72 HD2 LYS 72 0.870 5.570 -12.436 533 2HD LYS 72 HD3 LYS 72 0.446 4.493 -11.100 534 1HE LYS 72 HE2 LYS 72 -1.600 5.421 -10.883 535 2HE LYS 72 HE3 LYS 72 -0.917 7.037 -10.704 536 1HZ LYS 72 HZ1 LYS 72 -0.850 7.273 -13.054 537 2HZ LYS 72 HZ2 LYS 72 -1.398 5.746 -13.305 538 3HZ LYS 72 HZ3 LYS 72 -2.378 6.874 -12.603 539 H THR 73 H THR 73 5.400 5.061 -8.674 540 HA THR 73 HA THR 73 6.865 3.130 -10.256 541 HB THR 73 HB THR 73 7.502 5.222 -8.214 542 HG1 THR 73 HG1 THR 73 8.669 4.467 -10.654 543 1HG2 THR 73 HG21 THR 73 8.779 3.412 -7.222 544 2HG2 THR 73 HG22 THR 73 9.496 3.022 -8.806 545 3HG2 THR 73 HG23 THR 73 9.827 4.584 -8.027 546 H PHE 74 H PHE 74 5.020 2.793 -7.379 547 HA PHE 74 HA PHE 74 6.360 0.199 -6.709 548 1HB PHE 74 HB2 PHE 74 4.573 2.074 -5.108 549 2HB PHE 74 HB3 PHE 74 4.821 0.397 -4.639 550 HD1 PHE 74 HD1 PHE 74 7.452 -0.353 -4.793 551 HD2 PHE 74 HD2 PHE 74 5.778 3.427 -3.580 552 HE1 PHE 74 HE1 PHE 74 9.536 0.172 -3.567 553 HE2 PHE 74 HE2 PHE 74 7.835 3.904 -2.275 554 HZ PHE 74 HZ PHE 74 9.731 2.304 -2.326 555 H ILE 75 H ILE 75 3.934 1.396 -8.640 556 HA ILE 75 HA ILE 75 1.780 -0.276 -7.801 557 HB ILE 75 HB ILE 75 2.090 1.807 -9.508 558 1HG1 ILE 75 HG12 ILE 75 0.085 1.089 -8.297 559 2HG1 ILE 75 HG13 ILE 75 -0.185 1.786 -9.897 560 1HG2 ILE 75 HG21 ILE 75 1.431 1.164 -11.784 561 2HG2 ILE 75 HG22 ILE 75 3.034 0.535 -11.371 562 3HG2 ILE 75 HG23 ILE 75 1.633 -0.549 -11.385 563 1HD1 ILE 75 HD11 ILE 75 -0.032 -1.150 -9.305 564 2HD1 ILE 75 HD12 ILE 75 -1.531 -0.212 -9.354 565 3HD1 ILE 75 HD13 ILE 75 -0.564 -0.396 -10.832 566 H ILE 76 H ILE 76 1.348 -2.383 -8.174 567 HA ILE 76 HA ILE 76 3.318 -3.924 -9.861 568 HB ILE 76 HB ILE 76 2.525 -5.857 -8.479 569 1HG1 ILE 76 HG12 ILE 76 1.569 -3.712 -6.521 570 2HG1 ILE 76 HG13 ILE 76 0.472 -4.602 -7.583 571 1HG2 ILE 76 HG21 ILE 76 4.095 -5.375 -6.689 572 2HG2 ILE 76 HG22 ILE 76 4.714 -4.708 -8.198 573 3HG2 ILE 76 HG23 ILE 76 3.981 -3.628 -6.996 574 1HD1 ILE 76 HD11 ILE 76 1.546 -6.733 -6.571 575 2HD1 ILE 76 HD12 ILE 76 2.184 -5.625 -5.328 576 3HD1 ILE 76 HD13 ILE 76 0.444 -5.790 -5.558 577 H GLY 77 H GLY 77 -0.119 -3.208 -9.482 578 1HA GLY 77 HA1 GLY 77 -0.877 -4.204 -12.013 579 2HA GLY 77 HA2 GLY 77 -1.253 -5.440 -10.783 580 H GLU 78 H GLU 78 -3.539 -5.096 -10.759 581 HA GLU 78 HA GLU 78 -4.396 -2.578 -9.504 582 1HB GLU 78 HB2 GLU 78 -4.801 -3.253 -12.355 583 2HB GLU 78 HB3 GLU 78 -6.287 -2.855 -11.527 584 1HG GLU 78 HG2 GLU 78 -5.709 -0.691 -11.084 585 2HG GLU 78 HG3 GLU 78 -3.963 -1.003 -11.097 586 H LEU 79 H LEU 79 -6.818 -2.666 -9.139 587 HA LEU 79 HA LEU 79 -7.242 -4.973 -7.435 588 1HB LEU 79 HB2 LEU 79 -8.118 -2.795 -6.815 589 2HB LEU 79 HB3 LEU 79 -8.955 -2.657 -8.364 590 HG LEU 79 HG LEU 79 -10.241 -4.862 -7.555 591 1HD1 LEU 79 HD11 LEU 79 -10.170 -5.415 -5.355 592 2HD1 LEU 79 HD12 LEU 79 -8.569 -4.703 -5.452 593 3HD1 LEU 79 HD13 LEU 79 -9.947 -3.734 -4.847 594 1HD2 LEU 79 HD21 LEU 79 -11.169 -2.709 -8.087 595 2HD2 LEU 79 HD22 LEU 79 -11.972 -3.475 -6.726 596 3HD2 LEU 79 HD23 LEU 79 -10.831 -2.140 -6.423 597 H HIS 80 H HIS 80 -8.281 -6.870 -7.944 598 HA HIS 80 HA HIS 80 -8.874 -7.659 -10.567 599 1HB HIS 80 HB2 HIS 80 -8.572 -8.990 -8.390 600 2HB HIS 80 HB3 HIS 80 -10.324 -8.847 -8.217 601 HD1 HIS 80 HD1 HIS 80 -11.612 -10.685 -9.669 602 HD2 HIS 80 HD2 HIS 80 -7.521 -10.281 -10.525 603 HE1 HIS 80 HE1 HIS 80 -11.046 -12.522 -11.305 604 HA PRO 81 HA PRO 81 -12.756 -5.845 -11.462 605 1HB PRO 81 HB2 PRO 81 -13.607 -7.347 -13.587 606 2HB PRO 81 HB3 PRO 81 -12.330 -6.101 -13.659 607 1HG PRO 81 HG2 PRO 81 -11.986 -9.091 -13.399 608 2HG PRO 81 HG3 PRO 81 -11.078 -7.959 -14.450 609 1HD PRO 81 HD2 PRO 81 -10.144 -8.876 -12.088 610 2HD PRO 81 HD3 PRO 81 -9.749 -7.239 -12.677 611 H ASP 82 H ASP 82 -12.414 -8.945 -10.114 612 HA ASP 82 HA ASP 82 -15.255 -9.621 -9.942 613 1HB ASP 82 HB2 ASP 82 -13.406 -11.313 -9.927 614 2HB ASP 82 HB3 ASP 82 -12.923 -10.693 -8.306 615 H ASP 83 H ASP 83 -12.883 -7.755 -8.109 616 HA ASP 83 HA ASP 83 -14.375 -7.688 -5.611 617 1HB ASP 83 HB2 ASP 83 -11.950 -7.464 -5.624 618 2HB ASP 83 HB3 ASP 83 -12.076 -6.027 -6.667 619 H ARG 84 H ARG 84 -13.770 -5.422 -8.270 620 HA ARG 84 HA ARG 84 -15.293 -3.262 -7.164 621 1HB ARG 84 HB2 ARG 84 -14.859 -2.125 -9.233 622 2HB ARG 84 HB3 ARG 84 -13.411 -3.039 -8.778 623 1HG ARG 84 HG2 ARG 84 -14.296 -4.898 -10.330 624 2HG ARG 84 HG3 ARG 84 -15.516 -3.765 -10.873 625 1HD ARG 84 HD2 ARG 84 -13.673 -3.771 -12.450 626 2HD ARG 84 HD3 ARG 84 -13.872 -2.193 -11.654 627 HE ARG 84 HE ARG 84 -11.922 -3.897 -10.309 628 1HH1 ARG 84 HH11 ARG 84 -9.191 -1.958 -11.494 629 2HH1 ARG 84 HH12 ARG 84 -9.642 -3.334 -10.542 630 1HH2 ARG 84 HH21 ARG 84 -10.723 -1.182 -13.118 631 2HH2 ARG 84 HH22 ARG 84 -12.363 -1.757 -13.075 632 HHA HEM 201 HGM HEM 201 4.950 10.760 5.292 633 HHB HEM 201 HDM HEM 201 5.635 8.093 -0.570 634 HHC HEM 201 HAM HEM 201 0.777 4.105 0.725 635 HHD HEM 201 HBM HEM 201 0.399 6.416 6.727 636 1HMA HEM 201 HM81 HEM 201 7.816 9.793 0.315 637 2HMA HEM 201 HM82 HEM 201 6.375 10.277 -0.595 638 3HMA HEM 201 HM83 HEM 201 7.144 11.433 0.471 639 1HAA HEM 201 HAA1 HEM 201 6.710 11.789 4.101 640 2HAA HEM 201 HAA2 HEM 201 7.022 12.274 2.449 641 1HBA HEM 201 HBA1 HEM 201 5.460 13.735 3.855 642 2HBA HEM 201 HBA2 HEM 201 4.238 12.487 3.668 643 1HMB HEM 201 HM11 HEM 201 4.673 7.165 -2.597 644 2HMB HEM 201 HM12 HEM 201 5.488 5.619 -2.204 645 3HMB HEM 201 HM13 HEM 201 3.920 5.616 -3.017 646 HAB HEM 201 HT2A HEM 201 1.697 4.424 -2.444 647 1HBB HEM 201 HV2C HEM 201 2.390 2.672 -0.167 648 2HBB HEM 201 HV2T HEM 201 1.411 2.264 -1.720 649 1HMC HEM 201 HM31 HEM 201 -0.512 2.395 2.772 650 2HMC HEM 201 HM32 HEM 201 -1.977 3.238 3.322 651 3HMC HEM 201 HM33 HEM 201 -1.334 3.557 1.706 652 HAC HEM 201 HT4A HEM 201 -1.185 3.528 5.989 653 1HBC HEM 201 HV4C HEM 201 -2.247 6.392 5.614 654 2HBC HEM 201 HV4T HEM 201 -2.840 5.116 6.842 655 1HMD HEM 201 HM51 HEM 201 2.336 7.436 9.107 656 2HMD HEM 201 HM52 HEM 201 1.646 9.068 9.105 657 3HMD HEM 201 HM53 HEM 201 0.689 7.718 8.503 658 1HAD HEM 201 HAD1 HEM 201 4.001 9.693 8.818 659 2HAD HEM 201 HAD2 HEM 201 4.853 10.551 7.548 660 1HBD HEM 201 HBD1 HEM 201 2.037 11.366 7.788 661 2HBD HEM 201 HBD2 HEM 201 2.944 11.579 9.293 Start of MODEL 25 1 1H ALA 3 H1 ALA 3 -0.959 -10.255 -19.535 2 2H ALA 3 H2 ALA 3 -2.024 -10.652 -20.761 3 3H ALA 3 H3 ALA 3 -0.864 -9.478 -20.979 4 HA ALA 3 HA ALA 3 -3.253 -9.414 -19.312 5 1HB ALA 3 HB1 ALA 3 -3.530 -7.136 -20.291 6 2HB ALA 3 HB2 ALA 3 -2.069 -7.397 -21.274 7 3HB ALA 3 HB3 ALA 3 -3.511 -8.413 -21.501 8 H VAL 4 H VAL 4 -2.600 -6.526 -18.641 9 HA VAL 4 HA VAL 4 -0.965 -6.875 -16.280 10 HB VAL 4 HB VAL 4 -2.688 -5.356 -15.262 11 1HG1 VAL 4 HG11 VAL 4 -1.388 -4.473 -17.866 12 2HG1 VAL 4 HG12 VAL 4 -2.119 -3.371 -16.681 13 3HG1 VAL 4 HG13 VAL 4 -0.735 -4.370 -16.216 14 1HG2 VAL 4 HG21 VAL 4 -4.017 -5.428 -18.016 15 2HG2 VAL 4 HG22 VAL 4 -4.699 -5.939 -16.462 16 3HG2 VAL 4 HG23 VAL 4 -4.329 -4.236 -16.760 17 H LYS 5 H LYS 5 -1.589 -7.970 -14.366 18 HA LYS 5 HA LYS 5 -4.007 -9.732 -14.552 19 1HB LYS 5 HB2 LYS 5 -2.037 -11.053 -14.868 20 2HB LYS 5 HB3 LYS 5 -1.274 -10.398 -13.403 21 1HG LYS 5 HG2 LYS 5 -2.877 -11.447 -11.969 22 2HG LYS 5 HG3 LYS 5 -3.986 -11.779 -13.291 23 1HD LYS 5 HD2 LYS 5 -1.380 -12.974 -13.870 24 2HD LYS 5 HD3 LYS 5 -1.857 -13.428 -12.243 25 1HE LYS 5 HE2 LYS 5 -3.520 -14.811 -12.924 26 2HE LYS 5 HE3 LYS 5 -4.085 -13.741 -14.210 27 1HZ LYS 5 HZ1 LYS 5 -3.146 -15.821 -14.996 28 2HZ LYS 5 HZ2 LYS 5 -2.420 -14.493 -15.633 29 3HZ LYS 5 HZ3 LYS 5 -1.658 -15.368 -14.461 30 H TYR 6 H TYR 6 -5.219 -8.154 -13.614 31 HA TYR 6 HA TYR 6 -4.615 -6.702 -11.294 32 1HB TYR 6 HB2 TYR 6 -7.330 -7.803 -12.059 33 2HB TYR 6 HB3 TYR 6 -6.972 -6.324 -11.156 34 HD1 TYR 6 HD1 TYR 6 -5.240 -4.742 -12.606 35 HD2 TYR 6 HD2 TYR 6 -8.142 -7.467 -14.223 36 HE1 TYR 6 HE1 TYR 6 -5.574 -3.226 -14.561 37 HE2 TYR 6 HE2 TYR 6 -8.419 -6.000 -16.204 38 HH TYR 6 HH TYR 6 -6.896 -2.777 -16.376 39 H TYR 7 H TYR 7 -5.495 -7.000 -9.106 40 HA TYR 7 HA TYR 7 -5.496 -9.892 -8.265 41 1HB TYR 7 HB2 TYR 7 -4.539 -7.447 -6.856 42 2HB TYR 7 HB3 TYR 7 -4.418 -9.113 -6.243 43 HD1 TYR 7 HD1 TYR 7 -2.767 -10.691 -7.242 44 HD2 TYR 7 HD2 TYR 7 -2.849 -6.518 -8.254 45 HE1 TYR 7 HE1 TYR 7 -0.628 -10.955 -8.481 46 HE2 TYR 7 HE2 TYR 7 -0.718 -6.780 -9.519 47 HH TYR 7 HH TYR 7 0.696 -9.961 -10.166 48 H THR 8 H THR 8 -7.207 -10.529 -7.039 49 HA THR 8 HA THR 8 -9.461 -8.748 -6.553 50 HB THR 8 HB THR 8 -10.289 -10.999 -5.543 51 HG1 THR 8 HG1 THR 8 -8.096 -11.759 -5.187 52 1HG2 THR 8 HG21 THR 8 -10.397 -12.168 -7.739 53 2HG2 THR 8 HG22 THR 8 -10.845 -10.459 -7.875 54 3HG2 THR 8 HG23 THR 8 -9.230 -11.020 -8.405 55 H LEU 9 H LEU 9 -10.357 -8.371 -4.391 56 HA LEU 9 HA LEU 9 -8.615 -7.447 -2.512 57 1HB LEU 9 HB2 LEU 9 -11.401 -7.726 -2.765 58 2HB LEU 9 HB3 LEU 9 -11.056 -8.603 -1.322 59 HG LEU 9 HG LEU 9 -10.185 -5.726 -1.863 60 1HD1 LEU 9 HD11 LEU 9 -11.915 -5.023 -0.369 61 2HD1 LEU 9 HD12 LEU 9 -12.685 -6.127 -1.515 62 3HD1 LEU 9 HD13 LEU 9 -12.288 -6.692 0.116 63 1HD2 LEU 9 HD21 LEU 9 -9.966 -7.399 0.672 64 2HD2 LEU 9 HD22 LEU 9 -8.609 -6.758 -0.282 65 3HD2 LEU 9 HD23 LEU 9 -9.680 -5.651 0.585 66 H GLU 10 H GLU 10 -10.001 -10.732 -2.741 67 HA GLU 10 HA GLU 10 -9.053 -11.839 -0.392 68 1HB GLU 10 HB2 GLU 10 -10.557 -12.877 -2.169 69 2HB GLU 10 HB3 GLU 10 -9.093 -13.335 -3.030 70 1HG GLU 10 HG2 GLU 10 -9.727 -15.217 -1.692 71 2HG GLU 10 HG3 GLU 10 -8.282 -14.532 -0.961 72 H GLU 11 H GLU 11 -7.342 -12.305 -3.544 73 HA GLU 11 HA GLU 11 -4.960 -13.208 -2.500 74 1HB GLU 11 HB2 GLU 11 -5.823 -11.962 -5.071 75 2HB GLU 11 HB3 GLU 11 -4.122 -11.730 -4.687 76 1HG GLU 11 HG2 GLU 11 -4.452 -13.792 -5.989 77 2HG GLU 11 HG3 GLU 11 -3.792 -14.141 -4.385 78 H ILE 12 H ILE 12 -5.839 -9.761 -3.121 79 HA ILE 12 HA ILE 12 -3.400 -8.737 -2.119 80 HB ILE 12 HB ILE 12 -6.163 -7.452 -2.050 81 1HG1 ILE 12 HG12 ILE 12 -5.519 -8.126 -4.364 82 2HG1 ILE 12 HG13 ILE 12 -5.479 -6.389 -4.163 83 1HG2 ILE 12 HG21 ILE 12 -4.314 -5.455 -2.486 84 2HG2 ILE 12 HG22 ILE 12 -5.029 -5.822 -0.909 85 3HG2 ILE 12 HG23 ILE 12 -3.431 -6.466 -1.353 86 1HD1 ILE 12 HD11 ILE 12 -3.462 -6.819 -5.244 87 2HD1 ILE 12 HD12 ILE 12 -2.905 -6.816 -3.596 88 3HD1 ILE 12 HD13 ILE 12 -3.208 -8.359 -4.424 89 H GLN 13 H GLN 13 -6.295 -9.725 -0.333 90 HA GLN 13 HA GLN 13 -5.384 -8.976 2.297 91 1HB GLN 13 HB2 GLN 13 -7.650 -10.549 1.104 92 2HB GLN 13 HB3 GLN 13 -7.173 -11.008 2.702 93 1HG GLN 13 HG2 GLN 13 -7.473 -8.064 2.347 94 2HG GLN 13 HG3 GLN 13 -8.934 -8.989 2.023 95 1HE2 GLN 13 HE21 GLN 13 -8.158 -7.130 4.352 96 2HE2 GLN 13 HE22 GLN 13 -8.551 -8.122 5.747 97 H LYS 14 H LYS 14 -4.758 -11.803 0.220 98 HA LYS 14 HA LYS 14 -3.876 -13.489 2.364 99 1HB LYS 14 HB2 LYS 14 -3.125 -13.432 -0.579 100 2HB LYS 14 HB3 LYS 14 -2.564 -14.658 0.530 101 1HG LYS 14 HG2 LYS 14 -5.530 -14.069 0.365 102 2HG LYS 14 HG3 LYS 14 -4.790 -14.996 -0.933 103 1HD LYS 14 HD2 LYS 14 -4.352 -16.820 0.362 104 2HD LYS 14 HD3 LYS 14 -4.028 -15.856 1.810 105 1HE LYS 14 HE2 LYS 14 -6.707 -15.414 1.670 106 2HE LYS 14 HE3 LYS 14 -6.654 -16.925 0.763 107 1HZ LYS 14 HZ1 LYS 14 -6.326 -16.419 3.537 108 2HZ LYS 14 HZ2 LYS 14 -6.694 -17.832 2.781 109 3HZ LYS 14 HZ3 LYS 14 -5.120 -17.380 2.962 110 H HIS 15 H HIS 15 -2.473 -10.592 1.037 111 HA HIS 15 HA HIS 15 0.208 -11.177 2.237 112 1HB HIS 15 HB2 HIS 15 -0.718 -9.276 0.071 113 2HB HIS 15 HB3 HIS 15 0.912 -9.303 0.754 114 HD1 HIS 15 HD1 HIS 15 2.536 -10.692 -0.630 115 HD2 HIS 15 HD2 HIS 15 -1.427 -11.987 -0.950 116 HE1 HIS 15 HE1 HIS 15 2.499 -12.495 -2.453 117 H ASN 16 H ASN 16 -0.730 -10.705 4.402 118 HA ASN 16 HA ASN 16 -0.410 -7.890 5.142 119 1HB ASN 16 HB2 ASN 16 -2.626 -7.709 6.198 120 2HB ASN 16 HB3 ASN 16 -2.697 -7.859 4.441 121 1HD2 ASN 16 HD21 ASN 16 -5.055 -8.316 5.352 122 2HD2 ASN 16 HD22 ASN 16 -5.374 -10.049 5.331 123 H ASN 17 H ASN 17 1.364 -9.312 6.076 124 HA ASN 17 HA ASN 17 0.625 -9.849 8.904 125 1HB ASN 17 HB2 ASN 17 1.411 -11.965 6.933 126 2HB ASN 17 HB3 ASN 17 2.340 -11.980 8.433 127 1HD2 ASN 17 HD21 ASN 17 0.612 -14.108 7.583 128 2HD2 ASN 17 HD22 ASN 17 -0.629 -14.214 8.818 129 H SER 18 H SER 18 3.340 -10.147 6.630 130 HA SER 18 HA SER 18 4.877 -8.053 7.658 131 1HB SER 18 HB2 SER 18 4.945 -10.303 9.467 132 2HB SER 18 HB3 SER 18 6.499 -10.251 8.646 133 HG SER 18 HG SER 18 6.399 -8.973 10.534 134 H LYS 19 H LYS 19 5.019 -11.404 6.450 135 HA LYS 19 HA LYS 19 7.339 -11.293 4.944 136 1HB LYS 19 HB2 LYS 19 4.970 -13.012 5.115 137 2HB LYS 19 HB3 LYS 19 5.468 -12.865 3.428 138 1HG LYS 19 HG2 LYS 19 7.585 -13.803 3.803 139 2HG LYS 19 HG3 LYS 19 7.579 -13.377 5.511 140 1HD LYS 19 HD2 LYS 19 7.436 -15.650 5.498 141 2HD LYS 19 HD3 LYS 19 5.842 -15.103 5.981 142 1HE LYS 19 HE2 LYS 19 6.475 -15.865 3.075 143 2HE LYS 19 HE3 LYS 19 6.188 -17.106 4.298 144 1HZ LYS 19 HZ1 LYS 19 4.258 -15.048 3.493 145 2HZ LYS 19 HZ2 LYS 19 4.188 -16.665 3.201 146 3HZ LYS 19 HZ3 LYS 19 4.040 -16.111 4.736 147 H SER 20 H SER 20 4.069 -10.244 3.838 148 HA SER 20 HA SER 20 5.414 -8.401 2.031 149 1HB SER 20 HB2 SER 20 3.777 -8.994 0.215 150 2HB SER 20 HB3 SER 20 5.167 -10.066 0.447 151 HG SER 20 HG SER 20 3.739 -11.376 1.773 152 H THR 21 H THR 21 4.497 -6.523 2.273 153 HA THR 21 HA THR 21 1.800 -6.170 3.467 154 HB THR 21 HB THR 21 4.328 -4.504 3.324 155 HG1 THR 21 HG1 THR 21 4.118 -4.635 5.536 156 1HG2 THR 21 HG21 THR 21 2.597 -2.959 4.820 157 2HG2 THR 21 HG22 THR 21 3.084 -2.647 3.149 158 3HG2 THR 21 HG23 THR 21 1.563 -3.469 3.481 159 H TRP 22 H TRP 22 0.537 -6.451 1.679 160 HA TRP 22 HA TRP 22 0.929 -4.632 -0.673 161 1HB TRP 22 HB2 TRP 22 -0.757 -7.115 -0.195 162 2HB TRP 22 HB3 TRP 22 -0.895 -6.086 -1.611 163 HD1 TRP 22 HD1 TRP 22 2.701 -6.582 -0.645 164 HE1 TRP 22 HE1 TRP 22 3.846 -7.806 -2.435 165 HE3 TRP 22 HE3 TRP 22 -1.418 -8.303 -3.043 166 HZ2 TRP 22 HZ2 TRP 22 3.079 -9.355 -4.859 167 HZ3 TRP 22 HZ3 TRP 22 -1.241 -9.517 -5.177 168 HH2 TRP 22 HH2 TRP 22 1.033 -10.047 -6.121 169 H LEU 23 H LEU 23 -1.365 -3.846 -1.430 170 HA LEU 23 HA LEU 23 -3.460 -3.515 0.341 171 1HB LEU 23 HB2 LEU 23 -3.045 -1.026 0.919 172 2HB LEU 23 HB3 LEU 23 -2.307 -2.270 1.882 173 HG LEU 23 HG LEU 23 -0.194 -1.915 0.268 174 1HD1 LEU 23 HD11 LEU 23 0.012 0.358 -0.520 175 2HD1 LEU 23 HD12 LEU 23 -1.375 -0.417 -1.314 176 3HD1 LEU 23 HD13 LEU 23 -1.625 0.710 0.047 177 1HD2 LEU 23 HD21 LEU 23 0.081 0.346 1.800 178 2HD2 LEU 23 HD22 LEU 23 -1.098 -0.589 2.736 179 3HD2 LEU 23 HD23 LEU 23 0.465 -1.312 2.297 180 H ILE 24 H ILE 24 -4.739 -1.430 -0.396 181 HA ILE 24 HA ILE 24 -4.597 -1.225 -3.364 182 HB ILE 24 HB ILE 24 -7.026 -1.702 -1.625 183 1HG1 ILE 24 HG12 ILE 24 -6.087 -3.455 -3.939 184 2HG1 ILE 24 HG13 ILE 24 -5.444 -3.663 -2.326 185 1HG2 ILE 24 HG21 ILE 24 -8.423 -1.193 -3.373 186 2HG2 ILE 24 HG22 ILE 24 -7.092 -0.155 -3.894 187 3HG2 ILE 24 HG23 ILE 24 -7.291 -1.744 -4.615 188 1HD1 ILE 24 HD11 ILE 24 -7.209 -4.741 -1.541 189 2HD1 ILE 24 HD12 ILE 24 -8.356 -3.543 -2.163 190 3HD1 ILE 24 HD13 ILE 24 -7.774 -4.867 -3.198 191 H LEU 25 H LEU 25 -4.275 0.863 -3.739 192 HA LEU 25 HA LEU 25 -5.515 2.991 -2.029 193 1HB LEU 25 HB2 LEU 25 -2.792 2.685 -3.289 194 2HB LEU 25 HB3 LEU 25 -3.485 4.290 -3.109 195 HG LEU 25 HG LEU 25 -3.091 4.484 -0.997 196 1HD1 LEU 25 HD11 LEU 25 -4.504 2.884 -0.180 197 2HD1 LEU 25 HD12 LEU 25 -3.451 1.542 -0.663 198 3HD1 LEU 25 HD13 LEU 25 -2.963 2.651 0.655 199 1HD2 LEU 25 HD21 LEU 25 -0.891 3.248 -0.365 200 2HD2 LEU 25 HD22 LEU 25 -1.012 2.436 -1.915 201 3HD2 LEU 25 HD23 LEU 25 -0.910 4.203 -1.844 202 H HIS 26 H HIS 26 -7.350 3.096 -3.256 203 HA HIS 26 HA HIS 26 -8.672 3.894 -4.901 204 1HB HIS 26 HB2 HIS 26 -6.278 5.124 -6.286 205 2HB HIS 26 HB3 HIS 26 -7.973 5.587 -6.399 206 HD1 HIS 26 HD1 HIS 26 -8.867 7.180 -4.376 207 HD2 HIS 26 HD2 HIS 26 -4.878 5.879 -4.163 208 HE1 HIS 26 HE1 HIS 26 -7.743 8.570 -2.551 209 H TYR 27 H TYR 27 -8.353 1.377 -5.156 210 HA TYR 27 HA TYR 27 -8.541 -0.379 -6.524 211 1HB TYR 27 HB2 TYR 27 -8.754 1.609 -8.826 212 2HB TYR 27 HB3 TYR 27 -9.320 -0.045 -8.783 213 HD1 TYR 27 HD1 TYR 27 -11.469 -0.587 -8.000 214 HD2 TYR 27 HD2 TYR 27 -9.973 3.392 -7.432 215 HE1 TYR 27 HE1 TYR 27 -13.601 0.054 -6.868 216 HE2 TYR 27 HE2 TYR 27 -12.097 4.051 -6.368 217 HH TYR 27 HH TYR 27 -14.205 3.363 -5.692 218 H LYS 28 H LYS 28 -5.788 0.977 -6.143 219 HA LYS 28 HA LYS 28 -4.336 -0.402 -8.353 220 1HB LYS 28 HB2 LYS 28 -3.873 2.311 -7.111 221 2HB LYS 28 HB3 LYS 28 -2.630 1.427 -8.010 222 1HG LYS 28 HG2 LYS 28 -3.990 1.410 -10.004 223 2HG LYS 28 HG3 LYS 28 -5.383 2.051 -9.127 224 1HD LYS 28 HD2 LYS 28 -2.944 3.728 -8.865 225 2HD LYS 28 HD3 LYS 28 -3.437 3.540 -10.549 226 1HE LYS 28 HE2 LYS 28 -5.260 4.407 -8.264 227 2HE LYS 28 HE3 LYS 28 -4.464 5.538 -9.355 228 1HZ LYS 28 HZ1 LYS 28 -6.809 4.881 -9.913 229 2HZ LYS 28 HZ2 LYS 28 -5.727 4.753 -11.150 230 3HZ LYS 28 HZ3 LYS 28 -6.249 3.409 -10.371 231 H VAL 29 H VAL 29 -2.930 -1.887 -7.637 232 HA VAL 29 HA VAL 29 -2.633 -2.206 -4.770 233 HB VAL 29 HB VAL 29 -1.750 -4.015 -7.027 234 1HG1 VAL 29 HG11 VAL 29 -2.437 -4.645 -4.117 235 2HG1 VAL 29 HG12 VAL 29 -1.647 -5.710 -5.310 236 3HG1 VAL 29 HG13 VAL 29 -0.787 -4.340 -4.640 237 1HG2 VAL 29 HG21 VAL 29 -4.352 -4.145 -5.462 238 2HG2 VAL 29 HG22 VAL 29 -4.216 -3.603 -7.148 239 3HG2 VAL 29 HG23 VAL 29 -3.794 -5.250 -6.729 240 H TYR 30 H TYR 30 -0.719 -2.093 -3.683 241 HA TYR 30 HA TYR 30 1.787 -1.394 -5.173 242 1HB TYR 30 HB2 TYR 30 0.640 -0.046 -2.711 243 2HB TYR 30 HB3 TYR 30 2.214 0.279 -3.437 244 HD1 TYR 30 HD1 TYR 30 2.388 1.388 -5.621 245 HD2 TYR 30 HD2 TYR 30 -1.453 0.714 -3.827 246 HE1 TYR 30 HE1 TYR 30 1.315 2.968 -7.238 247 HE2 TYR 30 HE2 TYR 30 -2.455 2.393 -5.377 248 HH TYR 30 HH TYR 30 -0.511 4.123 -7.801 249 H ASP 31 H ASP 31 3.040 -3.154 -4.824 250 HA ASP 31 HA ASP 31 3.110 -4.567 -2.219 251 1HB ASP 31 HB2 ASP 31 3.341 -5.961 -4.196 252 2HB ASP 31 HB3 ASP 31 4.620 -4.904 -4.836 253 H LEU 32 H LEU 32 4.129 -3.303 -0.688 254 HA LEU 32 HA LEU 32 6.679 -2.002 -1.491 255 1HB LEU 32 HB2 LEU 32 4.963 -1.367 0.917 256 2HB LEU 32 HB3 LEU 32 6.448 -0.631 0.408 257 HG LEU 32 HG LEU 32 4.776 -0.501 -1.903 258 1HD1 LEU 32 HD11 LEU 32 2.902 -1.043 -0.226 259 2HD1 LEU 32 HD12 LEU 32 3.246 0.542 0.504 260 3HD1 LEU 32 HD13 LEU 32 2.706 0.426 -1.181 261 1HD2 LEU 32 HD21 LEU 32 5.512 1.575 0.176 262 2HD2 LEU 32 HD22 LEU 32 6.458 1.101 -1.258 263 3HD2 LEU 32 HD23 LEU 32 4.909 1.927 -1.463 264 H THR 33 H THR 33 5.782 -2.965 1.792 265 HA THR 33 HA THR 33 6.752 -4.173 3.308 266 HB THR 33 HB THR 33 6.510 -5.939 1.082 267 HG1 THR 33 HG1 THR 33 6.670 -6.495 3.855 268 1HG2 THR 33 HG21 THR 33 7.985 -7.739 1.897 269 2HG2 THR 33 HG22 THR 33 8.868 -6.401 1.147 270 3HG2 THR 33 HG23 THR 33 8.840 -6.573 2.931 271 H LYS 34 H LYS 34 9.122 -4.044 0.620 272 HA LYS 34 HA LYS 34 11.398 -3.910 2.487 273 1HB LYS 34 HB2 LYS 34 10.999 -3.857 -0.520 274 2HB LYS 34 HB3 LYS 34 12.573 -3.475 0.200 275 1HG LYS 34 HG2 LYS 34 12.926 -5.591 1.019 276 2HG LYS 34 HG3 LYS 34 11.208 -5.940 1.234 277 1HD LYS 34 HD2 LYS 34 10.864 -6.211 -1.142 278 2HD LYS 34 HD3 LYS 34 12.559 -5.793 -1.491 279 1HE LYS 34 HE2 LYS 34 13.363 -7.781 -0.309 280 2HE LYS 34 HE3 LYS 34 11.752 -8.098 0.351 281 1HZ LYS 34 HZ1 LYS 34 11.087 -8.320 -2.081 282 2HZ LYS 34 HZ2 LYS 34 12.694 -8.537 -2.372 283 3HZ LYS 34 HZ3 LYS 34 11.893 -9.555 -1.358 284 H PHE 35 H PHE 35 8.993 -1.787 1.465 285 HA PHE 35 HA PHE 35 10.754 0.574 1.827 286 1HB PHE 35 HB2 PHE 35 9.051 0.103 -0.193 287 2HB PHE 35 HB3 PHE 35 7.915 0.694 0.967 288 HD1 PHE 35 HD1 PHE 35 11.394 1.694 -0.124 289 HD2 PHE 35 HD2 PHE 35 7.349 2.984 0.687 290 HE1 PHE 35 HE1 PHE 35 12.013 4.009 -0.693 291 HE2 PHE 35 HE2 PHE 35 7.975 5.300 0.080 292 HZ PHE 35 HZ PHE 35 10.329 5.830 -0.544 293 H LEU 36 H LEU 36 9.102 -1.472 3.861 294 HA LEU 36 HA LEU 36 7.253 0.273 5.135 295 1HB LEU 36 HB2 LEU 36 8.884 -2.016 6.287 296 2HB LEU 36 HB3 LEU 36 7.547 -1.241 7.130 297 HG LEU 36 HG LEU 36 7.166 -2.440 4.405 298 1HD1 LEU 36 HD11 LEU 36 8.011 -4.220 5.935 299 2HD1 LEU 36 HD12 LEU 36 6.826 -3.744 7.154 300 3HD1 LEU 36 HD13 LEU 36 6.287 -4.476 5.624 301 1HD2 LEU 36 HD21 LEU 36 5.459 -0.989 4.910 302 2HD2 LEU 36 HD22 LEU 36 4.822 -2.610 5.156 303 3HD2 LEU 36 HD23 LEU 36 5.238 -1.610 6.569 304 H GLU 37 H GLU 37 10.607 -0.489 6.230 305 HA GLU 37 HA GLU 37 10.607 1.609 8.160 306 1HB GLU 37 HB2 GLU 37 12.983 1.114 8.353 307 2HB GLU 37 HB3 GLU 37 11.980 -0.330 8.422 308 1HG GLU 37 HG2 GLU 37 13.175 -1.285 6.786 309 2HG GLU 37 HG3 GLU 37 12.784 0.004 5.652 310 H GLU 38 H GLU 38 11.619 1.436 4.765 311 HA GLU 38 HA GLU 38 12.996 3.909 4.627 312 1HB GLU 38 HB2 GLU 38 11.486 2.449 2.452 313 2HB GLU 38 HB3 GLU 38 12.718 3.651 2.214 314 1HG GLU 38 HG2 GLU 38 14.164 1.934 3.744 315 2HG GLU 38 HG3 GLU 38 13.031 0.775 3.043 316 H HIS 39 HN HIS 39 9.586 3.010 4.185 317 HA HIS 39 HA HIS 39 8.581 5.280 2.997 318 1HB HIS 39 HB2 HIS 39 7.199 3.407 3.158 319 2HB HIS 39 HB3 HIS 39 7.355 3.320 4.920 320 HD1 HIS 39 HND HIS 39 5.656 4.641 6.313 321 HD2 HIS 39 HD HIS 39 5.673 5.542 2.210 322 HE1 HIS 39 HE HIS 39 3.638 6.097 5.907 323 HA PRO 40 HA PRO 40 9.462 8.058 6.451 324 1HB PRO 40 HB2 PRO 40 8.801 10.436 5.287 325 2HB PRO 40 HB3 PRO 40 10.270 9.510 4.900 326 1HG PRO 40 HG2 PRO 40 7.717 9.607 3.325 327 2HG PRO 40 HG3 PRO 40 9.393 9.630 2.720 328 1HD PRO 40 HD2 PRO 40 7.722 7.411 2.845 329 2HD PRO 40 HD3 PRO 40 9.511 7.317 2.838 330 H GLY 41 H GLY 41 7.761 6.819 7.466 331 1HA GLY 41 HA1 GLY 41 5.552 8.545 8.394 332 2HA GLY 41 HA2 GLY 41 5.060 7.067 7.560 333 H GLY 42 H GLY 42 7.180 5.340 8.431 334 1HA GLY 42 HA1 GLY 42 8.089 4.466 10.472 335 2HA GLY 42 HA2 GLY 42 6.772 5.184 11.401 336 H GLU 43 H GLU 43 7.866 2.388 9.942 337 HA GLU 43 HA GLU 43 5.712 1.013 8.934 338 1HB GLU 43 HB2 GLU 43 6.933 -0.999 9.679 339 2HB GLU 43 HB3 GLU 43 7.843 0.193 8.739 340 1HG GLU 43 HG2 GLU 43 9.089 0.940 10.670 341 2HG GLU 43 HG3 GLU 43 8.079 -0.007 11.767 342 H ALA 44 H ALA 44 3.853 1.429 9.929 343 HA ALA 44 HA ALA 44 3.065 -0.260 12.181 344 1HB ALA 44 HB1 ALA 44 3.044 2.791 12.520 345 2HB ALA 44 HB2 ALA 44 2.287 1.610 13.612 346 3HB ALA 44 HB3 ALA 44 4.048 1.651 13.423 347 H VAL 45 H VAL 45 1.848 2.890 10.898 348 HA VAL 45 HA VAL 45 -0.694 1.724 10.382 349 HB VAL 45 HB VAL 45 -0.295 4.113 10.870 350 1HG1 VAL 45 HG11 VAL 45 0.275 5.656 9.098 351 2HG1 VAL 45 HG12 VAL 45 1.600 4.491 9.289 352 3HG1 VAL 45 HG13 VAL 45 0.466 4.337 7.929 353 1HG2 VAL 45 HG21 VAL 45 -2.425 4.233 10.230 354 2HG2 VAL 45 HG22 VAL 45 -1.912 4.560 8.571 355 3HG2 VAL 45 HG23 VAL 45 -2.224 2.900 9.092 356 H LEU 46 H LEU 46 2.228 2.337 8.038 357 HA LEU 46 HA LEU 46 0.602 1.467 5.867 358 1HB LEU 46 HB2 LEU 46 2.497 2.693 5.394 359 2HB LEU 46 HB3 LEU 46 3.514 1.774 6.510 360 HG LEU 46 HG LEU 46 3.411 -0.171 4.981 361 1HD1 LEU 46 HD11 LEU 46 2.223 1.785 2.966 362 2HD1 LEU 46 HD12 LEU 46 2.693 0.090 2.691 363 3HD1 LEU 46 HD13 LEU 46 1.327 0.468 3.748 364 1HD2 LEU 46 HD21 LEU 46 4.451 2.464 3.844 365 2HD2 LEU 46 HD22 LEU 46 5.280 1.456 5.041 366 3HD2 LEU 46 HD23 LEU 46 5.039 0.851 3.387 367 H ARG 47 H ARG 47 2.058 -0.329 8.513 368 HA ARG 47 HA ARG 47 2.010 -2.906 7.122 369 1HB ARG 47 HB2 ARG 47 3.657 -2.197 8.922 370 2HB ARG 47 HB3 ARG 47 2.334 -2.328 10.075 371 1HG ARG 47 HG2 ARG 47 2.975 -4.455 10.345 372 2HG ARG 47 HG3 ARG 47 2.110 -4.779 8.857 373 1HD ARG 47 HD2 ARG 47 3.980 -5.420 7.819 374 2HD ARG 47 HD3 ARG 47 4.799 -3.904 8.147 375 HE ARG 47 HE ARG 47 5.200 -6.444 9.442 376 1HH1 ARG 47 HH11 ARG 47 7.070 -5.212 12.145 377 2HH1 ARG 47 HH12 ARG 47 6.597 -6.617 11.226 378 1HH2 ARG 47 HH21 ARG 47 6.277 -3.062 11.475 379 2HH2 ARG 47 HH22 ARG 47 5.133 -2.994 10.171 380 H ALA 48 H ALA 48 0.060 -1.191 9.626 381 HA ALA 48 HA ALA 48 -1.710 -3.399 10.128 382 1HB ALA 48 HB1 ALA 48 -3.161 -1.385 11.044 383 2HB ALA 48 HB2 ALA 48 -1.676 -1.887 11.872 384 3HB ALA 48 HB3 ALA 48 -1.663 -0.462 10.811 385 H GLN 49 H GLN 49 -1.882 -0.588 7.891 386 HA GLN 49 HA GLN 49 -4.530 -1.334 6.918 387 1HB GLN 49 HB2 GLN 49 -2.302 0.555 6.057 388 2HB GLN 49 HB3 GLN 49 -3.841 0.432 5.213 389 1HG GLN 49 HG2 GLN 49 -3.547 1.220 8.132 390 2HG GLN 49 HG3 GLN 49 -3.874 2.301 6.772 391 1HE2 GLN 49 HE21 GLN 49 -5.472 1.055 9.323 392 2HE2 GLN 49 HE22 GLN 49 -7.037 0.785 8.574 393 H ALA 50 H ALA 50 -1.483 -2.759 6.490 394 HA ALA 50 HA ALA 50 -1.546 -3.289 3.731 395 1HB ALA 50 HB1 ALA 50 -0.046 -5.108 4.196 396 2HB ALA 50 HB2 ALA 50 0.347 -3.793 5.332 397 3HB ALA 50 HB3 ALA 50 -0.570 -5.213 5.883 398 H GLY 51 H GLY 51 -2.464 -5.056 2.573 399 1HA GLY 51 HA1 GLY 51 -3.663 -7.172 2.524 400 2HA GLY 51 HA2 GLY 51 -4.653 -6.639 3.898 401 H GLY 52 H GLY 52 -4.756 -3.828 2.706 402 1HA GLY 52 HA1 GLY 52 -5.682 -3.136 0.403 403 2HA GLY 52 HA2 GLY 52 -6.903 -4.378 0.701 404 H ASP 53 H ASP 53 -8.000 -2.123 0.354 405 HA ASP 53 HA ASP 53 -9.369 -0.553 1.174 406 1HB ASP 53 HB2 ASP 53 -10.117 -2.672 2.447 407 2HB ASP 53 HB3 ASP 53 -9.271 -1.998 3.851 408 H ALA 54 H ALA 54 -6.637 0.129 1.164 409 HA ALA 54 HA ALA 54 -6.256 1.662 3.714 410 1HB ALA 54 HB1 ALA 54 -4.460 0.045 3.127 411 2HB ALA 54 HB2 ALA 54 -4.211 0.919 1.612 412 3HB ALA 54 HB3 ALA 54 -3.938 1.757 3.158 413 H THR 55 H THR 55 -7.688 2.044 0.780 414 HA THR 55 HA THR 55 -6.373 4.260 -0.343 415 HB THR 55 HB THR 55 -9.372 3.658 -0.412 416 HG1 THR 55 HG1 THR 55 -8.451 1.851 -1.194 417 1HG2 THR 55 HG21 THR 55 -8.769 5.864 -1.367 418 2HG2 THR 55 HG22 THR 55 -7.423 5.102 -2.234 419 3HG2 THR 55 HG23 THR 55 -9.104 4.728 -2.691 420 H ALA 56 H ALA 56 -9.202 4.211 1.849 421 HA ALA 56 HA ALA 56 -9.389 7.017 2.216 422 1HB ALA 56 HB1 ALA 56 -10.827 6.440 4.121 423 2HB ALA 56 HB2 ALA 56 -11.236 5.509 2.669 424 3HB ALA 56 HB3 ALA 56 -10.330 4.737 3.992 425 H ASN 57 H ASN 57 -7.468 4.527 3.838 426 HA ASN 57 HA ASN 57 -6.706 6.198 6.070 427 1HB ASN 57 HB2 ASN 57 -6.480 3.443 5.323 428 2HB ASN 57 HB3 ASN 57 -4.849 4.019 5.607 429 1HD2 ASN 57 HD21 ASN 57 -4.225 4.368 7.833 430 2HD2 ASN 57 HD22 ASN 57 -5.373 4.147 9.139 431 H PHE 58 H PHE 58 -5.056 5.127 3.108 432 HA PHE 58 HA PHE 58 -2.620 6.541 3.303 433 1HB PHE 58 HB2 PHE 58 -3.001 4.847 1.638 434 2HB PHE 58 HB3 PHE 58 -4.349 5.728 0.940 435 HD1 PHE 58 HD1 PHE 58 -0.744 5.394 1.021 436 HD2 PHE 58 HD2 PHE 58 -4.020 7.696 -0.519 437 HE1 PHE 58 HE1 PHE 58 0.804 6.521 -0.587 438 HE2 PHE 58 HE2 PHE 58 -2.488 8.846 -2.079 439 HZ PHE 58 HZ PHE 58 -0.067 8.248 -2.126 440 H GLU 59 H GLU 59 -5.710 7.516 1.691 441 HA GLU 59 HA GLU 59 -4.700 10.079 0.978 442 1HB GLU 59 HB2 GLU 59 -6.904 10.588 0.212 443 2HB GLU 59 HB3 GLU 59 -6.442 8.933 -0.222 444 1HG GLU 59 HG2 GLU 59 -8.548 8.478 0.491 445 2HG GLU 59 HG3 GLU 59 -7.683 8.354 2.025 446 H ALA 60 H ALA 60 -6.454 8.914 3.828 447 HA ALA 60 HA ALA 60 -7.159 11.160 5.135 448 1HB ALA 60 HB1 ALA 60 -7.133 9.976 7.090 449 2HB ALA 60 HB2 ALA 60 -6.838 8.603 6.029 450 3HB ALA 60 HB3 ALA 60 -5.488 9.363 6.860 451 H VAL 61 H VAL 61 -3.805 10.116 4.652 452 HA VAL 61 HA VAL 61 -2.618 12.271 6.236 453 HB VAL 61 HB VAL 61 -1.468 10.319 4.196 454 1HG1 VAL 61 HG11 VAL 61 0.735 10.967 5.201 455 2HG1 VAL 61 HG12 VAL 61 -0.013 12.263 4.266 456 3HG1 VAL 61 HG13 VAL 61 -0.083 12.304 6.040 457 1HG2 VAL 61 HG21 VAL 61 -1.205 10.334 7.230 458 2HG2 VAL 61 HG22 VAL 61 -2.378 9.324 6.358 459 3HG2 VAL 61 HG23 VAL 61 -0.654 9.091 6.086 460 H GLY 62 H GLY 62 -3.086 11.532 2.775 461 1HA GLY 62 HA1 GLY 62 -3.879 13.368 1.368 462 2HA GLY 62 HA2 GLY 62 -2.621 14.414 2.043 463 H HIS 63 HN HIS 63 -0.391 13.192 2.009 464 HA HIS 63 HA HIS 63 1.403 12.528 0.867 465 1HB HIS 63 HB2 HIS 63 -0.588 10.878 -0.745 466 2HB HIS 63 HB3 HIS 63 1.133 10.854 -0.999 467 HD1 HIS 63 HND HIS 63 -1.426 9.425 1.468 468 HD2 HIS 63 HD HIS 63 2.705 9.768 0.783 469 HE1 HIS 63 HE HIS 63 -0.319 7.679 2.917 470 H SER 64 H SER 64 2.752 13.490 -0.561 471 HA SER 64 HA SER 64 1.605 15.607 -2.254 472 1HB SER 64 HB2 SER 64 4.152 15.144 -0.851 473 2HB SER 64 HB3 SER 64 4.424 15.668 -2.508 474 HG SER 64 HG SER 64 3.099 17.465 -2.102 475 H THR 65 H THR 65 2.848 16.026 -4.439 476 HA THR 65 HA THR 65 2.114 14.102 -6.216 477 HB THR 65 HB THR 65 4.409 16.028 -6.687 478 HG1 THR 65 HG1 THR 65 2.731 17.567 -6.993 479 1HG2 THR 65 HG21 THR 65 2.397 14.587 -8.402 480 2HG2 THR 65 HG22 THR 65 2.828 16.242 -8.862 481 3HG2 THR 65 HG23 THR 65 4.086 15.003 -8.722 482 H ASP 66 H ASP 66 5.416 14.691 -4.912 483 HA ASP 66 HA ASP 66 6.820 12.792 -6.318 484 1HB ASP 66 HB2 ASP 66 7.476 14.523 -4.355 485 2HB ASP 66 HB3 ASP 66 7.336 13.100 -3.333 486 H ALA 67 H ALA 67 4.925 12.385 -3.378 487 HA ALA 67 HA ALA 67 5.384 9.564 -3.014 488 1HB ALA 67 HB1 ALA 67 4.510 11.109 -1.239 489 2HB ALA 67 HB2 ALA 67 2.979 11.177 -2.116 490 3HB ALA 67 HB3 ALA 67 3.538 9.633 -1.460 491 H ARG 68 H ARG 68 2.752 11.384 -4.611 492 HA ARG 68 HA ARG 68 1.148 9.146 -5.405 493 1HB ARG 68 HB2 ARG 68 1.453 11.976 -6.441 494 2HB ARG 68 HB3 ARG 68 0.278 10.849 -7.112 495 1HG ARG 68 HG2 ARG 68 -0.958 10.726 -5.099 496 2HG ARG 68 HG3 ARG 68 0.331 11.413 -4.118 497 1HD ARG 68 HD2 ARG 68 -0.340 13.489 -4.490 498 2HD ARG 68 HD3 ARG 68 -0.513 13.274 -6.229 499 HE ARG 68 HE ARG 68 -2.576 13.277 -4.221 500 1HH1 ARG 68 HH11 ARG 68 -5.108 12.157 -6.439 501 2HH1 ARG 68 HH12 ARG 68 -4.785 12.924 -4.919 502 1HH2 ARG 68 HH21 ARG 68 -3.285 11.489 -7.829 503 2HH2 ARG 68 HH22 ARG 68 -1.671 11.777 -7.247 504 H GLU 69 H GLU 69 4.037 10.599 -6.828 505 HA GLU 69 HA GLU 69 3.855 9.047 -9.335 506 1HB GLU 69 HB2 GLU 69 5.534 11.211 -8.183 507 2HB GLU 69 HB3 GLU 69 6.255 10.209 -9.445 508 1HG GLU 69 HG2 GLU 69 3.484 11.240 -10.009 509 2HG GLU 69 HG3 GLU 69 4.791 12.428 -9.978 510 H LEU 70 H LEU 70 5.655 9.035 -6.256 511 HA LEU 70 HA LEU 70 7.453 6.969 -6.955 512 1HB LEU 70 HB2 LEU 70 7.766 8.455 -5.066 513 2HB LEU 70 HB3 LEU 70 6.327 7.786 -4.296 514 HG LEU 70 HG LEU 70 7.309 6.093 -3.366 515 1HD1 LEU 70 HD11 LEU 70 7.639 4.691 -5.062 516 2HD1 LEU 70 HD12 LEU 70 8.840 5.707 -5.906 517 3HD1 LEU 70 HD13 LEU 70 9.279 4.829 -4.425 518 1HD2 LEU 70 HD21 LEU 70 9.959 7.363 -4.041 519 2HD2 LEU 70 HD22 LEU 70 8.810 8.086 -2.883 520 3HD2 LEU 70 HD23 LEU 70 9.470 6.466 -2.589 521 H SER 71 H SER 71 4.371 6.843 -5.162 522 HA SER 71 HA SER 71 3.949 4.118 -4.849 523 1HB SER 71 HB2 SER 71 1.633 4.534 -4.848 524 2HB SER 71 HB3 SER 71 2.431 5.940 -4.121 525 HG SER 71 HG SER 71 0.858 5.793 -6.323 526 H LYS 72 H LYS 72 3.176 5.932 -7.859 527 HA LYS 72 HA LYS 72 2.415 3.788 -9.470 528 1HB LYS 72 HB2 LYS 72 3.854 6.374 -10.009 529 2HB LYS 72 HB3 LYS 72 3.672 5.232 -11.310 530 1HG LYS 72 HG2 LYS 72 1.201 5.864 -9.679 531 2HG LYS 72 HG3 LYS 72 1.904 7.184 -10.618 532 1HD LYS 72 HD2 LYS 72 2.001 5.538 -12.611 533 2HD LYS 72 HD3 LYS 72 0.921 4.492 -11.668 534 1HE LYS 72 HE2 LYS 72 -0.806 6.219 -11.681 535 2HE LYS 72 HE3 LYS 72 0.331 7.435 -12.293 536 1HZ LYS 72 HZ1 LYS 72 0.449 6.372 -14.345 537 2HZ LYS 72 HZ2 LYS 72 -0.395 5.052 -13.844 538 3HZ LYS 72 HZ3 LYS 72 -1.150 6.510 -13.996 539 H THR 73 H THR 73 5.812 4.779 -8.758 540 HA THR 73 HA THR 73 7.021 2.757 -10.431 541 HB THR 73 HB THR 73 7.950 4.739 -8.390 542 HG1 THR 73 HG1 THR 73 7.944 5.053 -10.649 543 1HG2 THR 73 HG21 THR 73 9.077 2.831 -7.436 544 2HG2 THR 73 HG22 THR 73 9.636 2.305 -9.047 545 3HG2 THR 73 HG23 THR 73 10.221 3.826 -8.345 546 H PHE 74 H PHE 74 5.531 2.625 -7.318 547 HA PHE 74 HA PHE 74 6.570 -0.133 -6.810 548 1HB PHE 74 HB2 PHE 74 5.003 1.839 -5.106 549 2HB PHE 74 HB3 PHE 74 5.162 0.145 -4.675 550 HD1 PHE 74 HD1 PHE 74 6.413 3.138 -3.709 551 HD2 PHE 74 HD2 PHE 74 7.719 -0.786 -4.932 552 HE1 PHE 74 HE1 PHE 74 8.556 3.460 -2.499 553 HE2 PHE 74 HE2 PHE 74 9.872 -0.434 -3.764 554 HZ PHE 74 HZ PHE 74 10.281 1.680 -2.532 555 H ILE 75 H ILE 75 4.051 1.282 -8.562 556 HA ILE 75 HA ILE 75 1.848 -0.257 -7.695 557 HB ILE 75 HB ILE 75 2.108 1.674 -9.479 558 1HG1 ILE 75 HG12 ILE 75 -0.069 -0.383 -9.190 559 2HG1 ILE 75 HG13 ILE 75 0.141 1.191 -8.407 560 1HG2 ILE 75 HG21 ILE 75 3.197 0.194 -11.208 561 2HG2 ILE 75 HG22 ILE 75 1.672 -0.728 -11.291 562 3HG2 ILE 75 HG23 ILE 75 1.728 0.982 -11.756 563 1HD1 ILE 75 HD11 ILE 75 -1.488 1.557 -10.039 564 2HD1 ILE 75 HD12 ILE 75 0.020 2.271 -10.657 565 3HD1 ILE 75 HD13 ILE 75 -0.558 0.692 -11.280 566 H ILE 76 H ILE 76 1.339 -2.422 -7.938 567 HA ILE 76 HA ILE 76 3.137 -4.067 -9.718 568 HB ILE 76 HB ILE 76 2.141 -5.969 -8.352 569 1HG1 ILE 76 HG12 ILE 76 1.623 -3.747 -6.322 570 2HG1 ILE 76 HG13 ILE 76 0.365 -4.493 -7.299 571 1HG2 ILE 76 HG21 ILE 76 4.000 -4.004 -6.942 572 2HG2 ILE 76 HG22 ILE 76 3.967 -5.780 -6.771 573 3HG2 ILE 76 HG23 ILE 76 4.495 -5.059 -8.277 574 1HD1 ILE 76 HD11 ILE 76 1.147 -5.375 -4.834 575 2HD1 ILE 76 HD12 ILE 76 0.327 -6.372 -6.062 576 3HD1 ILE 76 HD13 ILE 76 2.074 -6.458 -5.888 577 H GLY 77 H GLY 77 0.050 -2.669 -9.655 578 1HA GLY 77 HA1 GLY 77 -0.739 -3.377 -12.143 579 2HA GLY 77 HA2 GLY 77 -1.289 -4.767 -11.176 580 H GLU 78 H GLU 78 -3.443 -4.433 -11.077 581 HA GLU 78 HA GLU 78 -4.395 -2.076 -9.640 582 1HB GLU 78 HB2 GLU 78 -4.865 -2.552 -12.512 583 2HB GLU 78 HB3 GLU 78 -6.361 -2.503 -11.597 584 1HG GLU 78 HG2 GLU 78 -5.255 -0.294 -10.599 585 2HG GLU 78 HG3 GLU 78 -4.282 -0.368 -12.077 586 H LEU 79 H LEU 79 -6.719 -2.345 -9.171 587 HA LEU 79 HA LEU 79 -7.077 -4.827 -7.694 588 1HB LEU 79 HB2 LEU 79 -7.757 -2.649 -6.791 589 2HB LEU 79 HB3 LEU 79 -8.801 -2.379 -8.197 590 HG LEU 79 HG LEU 79 -10.000 -4.609 -7.378 591 1HD1 LEU 79 HD11 LEU 79 -9.806 -5.187 -5.159 592 2HD1 LEU 79 HD12 LEU 79 -8.128 -4.842 -5.561 593 3HD1 LEU 79 HD13 LEU 79 -9.101 -3.623 -4.694 594 1HD2 LEU 79 HD21 LEU 79 -11.312 -2.735 -7.483 595 2HD2 LEU 79 HD22 LEU 79 -11.324 -3.034 -5.753 596 3HD2 LEU 79 HD23 LEU 79 -10.270 -1.789 -6.379 597 H HIS 80 H HIS 80 -8.377 -6.537 -8.301 598 HA HIS 80 HA HIS 80 -9.106 -6.976 -10.974 599 1HB HIS 80 HB2 HIS 80 -8.861 -8.556 -8.920 600 2HB HIS 80 HB3 HIS 80 -10.589 -8.282 -8.695 601 HD1 HIS 80 HD1 HIS 80 -12.062 -9.840 -10.289 602 HD2 HIS 80 HD2 HIS 80 -7.964 -9.755 -11.177 603 HE1 HIS 80 HE1 HIS 80 -11.698 -11.555 -12.101 604 HA PRO 81 HA PRO 81 -12.892 -4.710 -11.385 605 1HB PRO 81 HB2 PRO 81 -13.999 -5.953 -13.579 606 2HB PRO 81 HB3 PRO 81 -12.662 -4.774 -13.642 607 1HG PRO 81 HG2 PRO 81 -12.505 -7.770 -13.826 608 2HG PRO 81 HG3 PRO 81 -11.517 -6.542 -14.673 609 1HD PRO 81 HD2 PRO 81 -10.730 -7.971 -12.473 610 2HD PRO 81 HD3 PRO 81 -10.050 -6.385 -12.923 611 H ASP 82 H ASP 82 -12.737 -8.027 -10.516 612 HA ASP 82 HA ASP 82 -15.588 -8.477 -10.205 613 1HB ASP 82 HB2 ASP 82 -13.917 -10.305 -10.498 614 2HB ASP 82 HB3 ASP 82 -13.259 -9.901 -8.865 615 H ASP 83 H ASP 83 -12.975 -7.114 -8.237 616 HA ASP 83 HA ASP 83 -14.340 -7.133 -5.691 617 1HB ASP 83 HB2 ASP 83 -11.924 -6.939 -5.869 618 2HB ASP 83 HB3 ASP 83 -12.086 -5.450 -6.817 619 H ARG 84 H ARG 84 -13.957 -4.849 -8.334 620 HA ARG 84 HA ARG 84 -15.160 -2.585 -7.250 621 1HB ARG 84 HB2 ARG 84 -14.438 -3.571 -9.960 622 2HB ARG 84 HB3 ARG 84 -15.760 -2.406 -9.968 623 1HG ARG 84 HG2 ARG 84 -14.542 -0.751 -8.848 624 2HG ARG 84 HG3 ARG 84 -13.246 -1.874 -8.388 625 1HD ARG 84 HD2 ARG 84 -13.941 -1.176 -11.258 626 2HD ARG 84 HD3 ARG 84 -12.744 -0.254 -10.318 627 HE ARG 84 HE ARG 84 -11.903 -2.867 -10.030 628 1HH1 ARG 84 HH11 ARG 84 -10.057 -3.285 -13.018 629 2HH1 ARG 84 HH12 ARG 84 -10.102 -3.662 -11.335 630 1HH2 ARG 84 HH21 ARG 84 -11.388 -1.532 -13.847 631 2HH2 ARG 84 HH22 ARG 84 -12.583 -0.812 -12.810 632 HHA HEM 201 HGM HEM 201 4.517 11.072 4.813 633 HHB HEM 201 HDM HEM 201 5.697 7.871 -0.673 634 HHC HEM 201 HAM HEM 201 1.238 3.513 0.942 635 HHD HEM 201 HBM HEM 201 0.402 6.489 6.622 636 1HMA HEM 201 HM81 HEM 201 6.968 11.372 0.059 637 2HMA HEM 201 HM82 HEM 201 7.830 9.845 0.310 638 3HMA HEM 201 HM83 HEM 201 6.517 9.956 -0.871 639 1HAA HEM 201 HAA1 HEM 201 6.558 12.479 1.886 640 2HAA HEM 201 HAA2 HEM 201 5.110 12.585 2.865 641 1HBA HEM 201 HBA1 HEM 201 7.941 12.103 3.675 642 2HBA HEM 201 HBA2 HEM 201 6.723 11.214 4.585 643 1HMB HEM 201 HM11 HEM 201 5.901 5.291 -1.919 644 2HMB HEM 201 HM12 HEM 201 4.467 4.997 -2.899 645 3HMB HEM 201 HM13 HEM 201 4.989 6.659 -2.621 646 HAB HEM 201 HT2A HEM 201 2.821 2.644 -1.188 647 1HBB HEM 201 HV2C HEM 201 1.194 4.816 -2.464 648 2HBB HEM 201 HV2T HEM 201 1.218 2.962 -2.776 649 1HMC HEM 201 HM31 HEM 201 -0.486 2.004 3.442 650 2HMC HEM 201 HM32 HEM 201 -1.816 3.136 3.156 651 3HMC HEM 201 HM33 HEM 201 -0.690 2.764 1.849 652 HAC HEM 201 HT4A HEM 201 -1.235 3.356 5.957 653 1HBC HEM 201 HV4C HEM 201 -1.925 6.327 5.582 654 2HBC HEM 201 HV4T HEM 201 -2.943 5.021 6.419 655 1HMD HEM 201 HM51 HEM 201 1.966 7.596 8.718 656 2HMD HEM 201 HM52 HEM 201 1.606 9.319 8.875 657 3HMD HEM 201 HM53 HEM 201 0.385 8.237 8.207 658 1HAD HEM 201 HAD1 HEM 201 3.810 10.141 8.341 659 2HAD HEM 201 HAD2 HEM 201 4.405 11.113 7.020 660 1HBD HEM 201 HBD1 HEM 201 2.743 12.632 7.184 661 2HBD HEM 201 HBD2 HEM 201 1.536 11.440 7.686 Start of MODEL 26 1 1H ALA 3 H1 ALA 3 2.574 -2.930 -18.211 2 2H ALA 3 H2 ALA 3 3.966 -3.441 -17.535 3 3H ALA 3 H3 ALA 3 3.713 -3.711 -19.158 4 HA ALA 3 HA ALA 3 2.164 -5.341 -18.802 5 1HB ALA 3 HB1 ALA 3 3.001 -6.832 -17.003 6 2HB ALA 3 HB2 ALA 3 4.360 -6.134 -17.902 7 3HB ALA 3 HB3 ALA 3 3.927 -5.491 -16.303 8 H VAL 4 H VAL 4 0.691 -6.442 -16.926 9 HA VAL 4 HA VAL 4 -0.183 -4.741 -14.821 10 HB VAL 4 HB VAL 4 -1.292 -3.576 -16.728 11 1HG1 VAL 4 HG11 VAL 4 -3.027 -4.646 -18.056 12 2HG1 VAL 4 HG12 VAL 4 -1.498 -5.502 -18.299 13 3HG1 VAL 4 HG13 VAL 4 -2.755 -6.201 -17.256 14 1HG2 VAL 4 HG21 VAL 4 -3.337 -5.090 -15.061 15 2HG2 VAL 4 HG22 VAL 4 -2.403 -3.681 -14.506 16 3HG2 VAL 4 HG23 VAL 4 -3.532 -3.526 -15.862 17 H LYS 5 H LYS 5 -1.641 -5.998 -13.451 18 HA LYS 5 HA LYS 5 -2.770 -8.452 -14.396 19 1HB LYS 5 HB2 LYS 5 -0.161 -8.647 -13.213 20 2HB LYS 5 HB3 LYS 5 -1.295 -9.134 -11.949 21 1HG LYS 5 HG2 LYS 5 -2.324 -10.774 -13.494 22 2HG LYS 5 HG3 LYS 5 -1.222 -10.240 -14.787 23 1HD LYS 5 HD2 LYS 5 0.722 -10.908 -13.346 24 2HD LYS 5 HD3 LYS 5 -0.424 -11.536 -12.140 25 1HE LYS 5 HE2 LYS 5 -1.342 -13.113 -13.859 26 2HE LYS 5 HE3 LYS 5 -0.195 -12.476 -15.050 27 1HZ LYS 5 HZ1 LYS 5 1.595 -13.284 -13.654 28 2HZ LYS 5 HZ2 LYS 5 0.518 -13.903 -12.572 29 3HZ LYS 5 HZ3 LYS 5 0.590 -14.504 -14.099 30 H TYR 6 H TYR 6 -4.718 -8.697 -13.195 31 HA TYR 6 HA TYR 6 -5.166 -6.631 -11.173 32 1HB TYR 6 HB2 TYR 6 -7.138 -8.735 -12.027 33 2HB TYR 6 HB3 TYR 6 -7.391 -7.181 -11.247 34 HD1 TYR 6 HD1 TYR 6 -7.009 -5.030 -12.508 35 HD2 TYR 6 HD2 TYR 6 -7.030 -8.880 -14.447 36 HE1 TYR 6 HE1 TYR 6 -7.165 -3.915 -14.710 37 HE2 TYR 6 HE2 TYR 6 -7.208 -7.763 -16.654 38 HH TYR 6 HH TYR 6 -7.317 -4.209 -16.994 39 H TYR 7 H TYR 7 -5.744 -7.155 -8.979 40 HA TYR 7 HA TYR 7 -5.207 -9.964 -8.093 41 1HB TYR 7 HB2 TYR 7 -4.400 -7.445 -6.619 42 2HB TYR 7 HB3 TYR 7 -4.058 -9.108 -6.166 43 HD1 TYR 7 HD1 TYR 7 -2.662 -10.510 -7.954 44 HD2 TYR 7 HD2 TYR 7 -2.774 -6.205 -7.788 45 HE1 TYR 7 HE1 TYR 7 -0.534 -10.401 -9.216 46 HE2 TYR 7 HE2 TYR 7 -0.646 -6.108 -9.038 47 HH TYR 7 HH TYR 7 1.124 -9.021 -10.062 48 H THR 8 H THR 8 -6.715 -10.764 -6.658 49 HA THR 8 HA THR 8 -9.172 -9.242 -6.271 50 HB THR 8 HB THR 8 -9.973 -11.228 -5.171 51 HG1 THR 8 HG1 THR 8 -7.741 -12.796 -5.418 52 1HG2 THR 8 HG21 THR 8 -9.675 -12.944 -6.891 53 2HG2 THR 8 HG22 THR 8 -9.913 -11.354 -7.634 54 3HG2 THR 8 HG23 THR 8 -8.290 -12.082 -7.578 55 H LEU 9 H LEU 9 -10.049 -8.723 -4.167 56 HA LEU 9 HA LEU 9 -8.331 -7.482 -2.339 57 1HB LEU 9 HB2 LEU 9 -11.008 -7.651 -2.657 58 2HB LEU 9 HB3 LEU 9 -10.868 -8.729 -1.286 59 HG LEU 9 HG LEU 9 -9.584 -5.951 -1.297 60 1HD1 LEU 9 HD11 LEU 9 -12.415 -6.688 -0.489 61 2HD1 LEU 9 HD12 LEU 9 -11.591 -5.177 -0.032 62 3HD1 LEU 9 HD13 LEU 9 -11.886 -5.534 -1.733 63 1HD2 LEU 9 HD21 LEU 9 -8.810 -7.495 0.490 64 2HD2 LEU 9 HD22 LEU 9 -9.783 -6.188 1.169 65 3HD2 LEU 9 HD23 LEU 9 -10.497 -7.800 0.962 66 H GLU 10 H GLU 10 -9.667 -10.745 -2.371 67 HA GLU 10 HA GLU 10 -8.525 -11.868 -0.086 68 1HB GLU 10 HB2 GLU 10 -10.121 -12.996 -1.617 69 2HB GLU 10 HB3 GLU 10 -8.830 -13.251 -2.774 70 1HG GLU 10 HG2 GLU 10 -9.205 -15.271 -1.450 71 2HG GLU 10 HG3 GLU 10 -7.586 -14.635 -1.158 72 H GLU 11 H GLU 11 -7.105 -12.151 -3.381 73 HA GLU 11 HA GLU 11 -4.621 -13.184 -2.767 74 1HB GLU 11 HB2 GLU 11 -5.731 -11.503 -4.951 75 2HB GLU 11 HB3 GLU 11 -4.023 -11.252 -4.698 76 1HG GLU 11 HG2 GLU 11 -4.346 -12.985 -6.364 77 2HG GLU 11 HG3 GLU 11 -3.577 -13.668 -4.924 78 H ILE 12 H ILE 12 -5.500 -9.721 -2.791 79 HA ILE 12 HA ILE 12 -2.919 -8.804 -1.991 80 HB ILE 12 HB ILE 12 -5.636 -7.483 -1.683 81 1HG1 ILE 12 HG12 ILE 12 -3.601 -6.985 -3.905 82 2HG1 ILE 12 HG13 ILE 12 -4.781 -8.257 -4.081 83 1HG2 ILE 12 HG21 ILE 12 -3.822 -6.346 -0.353 84 2HG2 ILE 12 HG22 ILE 12 -2.873 -6.224 -1.850 85 3HG2 ILE 12 HG23 ILE 12 -4.384 -5.342 -1.706 86 1HD1 ILE 12 HD11 ILE 12 -5.702 -6.344 -5.144 87 2HD1 ILE 12 HD12 ILE 12 -6.610 -6.618 -3.661 88 3HD1 ILE 12 HD13 ILE 12 -5.385 -5.324 -3.739 89 H GLN 13 H GLN 13 -5.841 -9.643 -0.084 90 HA GLN 13 HA GLN 13 -4.856 -9.062 2.492 91 1HB GLN 13 HB2 GLN 13 -7.128 -10.590 1.333 92 2HB GLN 13 HB3 GLN 13 -6.632 -11.081 2.932 93 1HG GLN 13 HG2 GLN 13 -7.144 -8.166 2.258 94 2HG GLN 13 HG3 GLN 13 -8.427 -9.286 2.734 95 1HE2 GLN 13 HE21 GLN 13 -8.893 -8.114 4.677 96 2HE2 GLN 13 HE22 GLN 13 -7.807 -8.217 6.052 97 H LYS 14 H LYS 14 -4.145 -11.808 0.348 98 HA LYS 14 HA LYS 14 -3.137 -13.462 2.505 99 1HB LYS 14 HB2 LYS 14 -2.468 -13.608 -0.455 100 2HB LYS 14 HB3 LYS 14 -2.105 -14.780 0.824 101 1HG LYS 14 HG2 LYS 14 -4.534 -15.109 1.249 102 2HG LYS 14 HG3 LYS 14 -4.906 -13.958 -0.012 103 1HD LYS 14 HD2 LYS 14 -5.247 -16.148 -0.841 104 2HD LYS 14 HD3 LYS 14 -3.952 -15.399 -1.756 105 1HE LYS 14 HE2 LYS 14 -3.371 -17.195 0.654 106 2HE LYS 14 HE3 LYS 14 -3.753 -17.904 -0.919 107 1HZ LYS 14 HZ1 LYS 14 -1.909 -16.810 -1.881 108 2HZ LYS 14 HZ2 LYS 14 -1.540 -16.020 -0.492 109 3HZ LYS 14 HZ3 LYS 14 -1.389 -17.654 -0.566 110 H HIS 15 H HIS 15 -1.921 -10.513 1.260 111 HA HIS 15 HA HIS 15 0.892 -11.183 2.015 112 1HB HIS 15 HB2 HIS 15 -0.325 -8.688 0.750 113 2HB HIS 15 HB3 HIS 15 1.342 -8.853 1.256 114 HD1 HIS 15 HD1 HIS 15 2.758 -9.116 -0.854 115 HD2 HIS 15 HD2 HIS 15 -0.769 -11.414 -0.885 116 HE1 HIS 15 HE1 HIS 15 2.903 -10.676 -2.855 117 H ASN 16 H ASN 16 0.892 -8.245 3.087 118 HA ASN 16 HA ASN 16 0.740 -7.265 5.160 119 1HB ASN 16 HB2 ASN 16 -1.597 -6.786 5.752 120 2HB ASN 16 HB3 ASN 16 -1.292 -6.674 4.007 121 1HD2 ASN 16 HD21 ASN 16 -2.971 -8.558 6.505 122 2HD2 ASN 16 HD22 ASN 16 -4.097 -9.265 5.324 123 H ASN 17 H ASN 17 1.669 -9.812 5.544 124 HA ASN 17 HA ASN 17 0.041 -10.975 7.757 125 1HB ASN 17 HB2 ASN 17 0.942 -12.146 5.446 126 2HB ASN 17 HB3 ASN 17 2.243 -12.585 6.547 127 1HD2 ASN 17 HD21 ASN 17 1.842 -14.594 7.536 128 2HD2 ASN 17 HD22 ASN 17 0.224 -15.186 7.872 129 H SER 18 H SER 18 3.353 -10.112 6.917 130 HA SER 18 HA SER 18 4.035 -9.251 9.533 131 1HB SER 18 HB2 SER 18 5.090 -12.001 8.731 132 2HB SER 18 HB3 SER 18 6.007 -10.922 9.797 133 HG SER 18 HG SER 18 3.310 -11.503 10.358 134 H LYS 19 H LYS 19 5.591 -10.850 6.734 135 HA LYS 19 HA LYS 19 7.548 -8.660 6.480 136 1HB LYS 19 HB2 LYS 19 8.021 -11.204 6.439 137 2HB LYS 19 HB3 LYS 19 7.371 -11.186 4.797 138 1HG LYS 19 HG2 LYS 19 9.069 -9.379 4.255 139 2HG LYS 19 HG3 LYS 19 9.777 -9.618 5.853 140 1HD LYS 19 HD2 LYS 19 9.432 -11.780 3.714 141 2HD LYS 19 HD3 LYS 19 10.912 -10.861 3.918 142 1HE LYS 19 HE2 LYS 19 9.720 -12.645 6.112 143 2HE LYS 19 HE3 LYS 19 10.881 -13.204 4.914 144 1HZ LYS 19 HZ1 LYS 19 12.464 -11.626 5.717 145 2HZ LYS 19 HZ2 LYS 19 11.404 -11.032 6.829 146 3HZ LYS 19 HZ3 LYS 19 11.946 -12.578 6.948 147 H SER 20 H SER 20 5.293 -10.481 4.295 148 HA SER 20 HA SER 20 5.371 -8.702 2.098 149 1HB SER 20 HB2 SER 20 3.242 -10.019 1.567 150 2HB SER 20 HB3 SER 20 4.730 -10.938 1.795 151 HG SER 20 HG SER 20 2.730 -10.516 3.765 152 H THR 21 H THR 21 4.102 -6.880 1.601 153 HA THR 21 HA THR 21 1.738 -6.194 3.199 154 HB THR 21 HB THR 21 4.341 -4.661 3.378 155 HG1 THR 21 HG1 THR 21 3.380 -6.291 4.930 156 1HG2 THR 21 HG21 THR 21 2.707 -2.945 4.598 157 2HG2 THR 21 HG22 THR 21 3.097 -2.814 2.874 158 3HG2 THR 21 HG23 THR 21 1.566 -3.531 3.380 159 H TRP 22 H TRP 22 0.359 -6.074 1.555 160 HA TRP 22 HA TRP 22 0.864 -4.168 -0.651 161 1HB TRP 22 HB2 TRP 22 -0.758 -6.755 -0.623 162 2HB TRP 22 HB3 TRP 22 -0.822 -5.512 -1.856 163 HD1 TRP 22 HD1 TRP 22 2.729 -6.033 -1.089 164 HE1 TRP 22 HE1 TRP 22 3.850 -7.243 -2.968 165 HE3 TRP 22 HE3 TRP 22 -1.458 -7.782 -3.430 166 HZ2 TRP 22 HZ2 TRP 22 3.037 -8.900 -5.243 167 HZ3 TRP 22 HZ3 TRP 22 -1.260 -9.251 -5.399 168 HH2 TRP 22 HH2 TRP 22 0.983 -9.798 -6.344 169 H LEU 23 H LEU 23 -1.242 -3.233 -1.373 170 HA LEU 23 HA LEU 23 -3.544 -3.268 0.337 171 1HB LEU 23 HB2 LEU 23 -3.229 -0.730 0.877 172 2HB LEU 23 HB3 LEU 23 -2.560 -1.973 1.909 173 HG LEU 23 HG LEU 23 -0.313 -1.687 0.837 174 1HD1 LEU 23 HD11 LEU 23 -1.666 0.663 -0.554 175 2HD1 LEU 23 HD12 LEU 23 0.073 0.391 -0.474 176 3HD1 LEU 23 HD13 LEU 23 -0.938 -0.752 -1.354 177 1HD2 LEU 23 HD21 LEU 23 -0.795 -0.567 2.901 178 2HD2 LEU 23 HD22 LEU 23 0.117 0.522 1.820 179 3HD2 LEU 23 HD23 LEU 23 -1.641 0.740 2.035 180 H ILE 24 H ILE 24 -5.138 -1.581 -0.359 181 HA ILE 24 HA ILE 24 -4.904 -1.057 -3.287 182 HB ILE 24 HB ILE 24 -7.347 -1.597 -1.573 183 1HG1 ILE 24 HG12 ILE 24 -6.405 -2.976 -4.126 184 2HG1 ILE 24 HG13 ILE 24 -5.914 -3.515 -2.515 185 1HG2 ILE 24 HG21 ILE 24 -8.040 0.165 -3.026 186 2HG2 ILE 24 HG22 ILE 24 -7.030 -0.431 -4.363 187 3HG2 ILE 24 HG23 ILE 24 -8.510 -1.282 -3.903 188 1HD1 ILE 24 HD11 ILE 24 -7.837 -4.832 -3.155 189 2HD1 ILE 24 HD12 ILE 24 -8.320 -3.743 -1.862 190 3HD1 ILE 24 HD13 ILE 24 -8.789 -3.391 -3.523 191 H LEU 25 H LEU 25 -4.471 0.998 -3.675 192 HA LEU 25 HA LEU 25 -5.779 3.169 -2.073 193 1HB LEU 25 HB2 LEU 25 -3.178 3.052 -3.571 194 2HB LEU 25 HB3 LEU 25 -3.971 4.551 -3.117 195 HG LEU 25 HG LEU 25 -3.167 4.622 -1.131 196 1HD1 LEU 25 HD11 LEU 25 -2.959 2.831 0.477 197 2HD1 LEU 25 HD12 LEU 25 -4.574 3.013 -0.236 198 3HD1 LEU 25 HD13 LEU 25 -3.528 1.677 -0.756 199 1HD2 LEU 25 HD21 LEU 25 -1.245 2.445 -2.008 200 2HD2 LEU 25 HD22 LEU 25 -1.164 4.152 -2.481 201 3HD2 LEU 25 HD23 LEU 25 -0.953 3.685 -0.792 202 H HIS 26 H HIS 26 -7.612 3.504 -3.237 203 HA HIS 26 HA HIS 26 -8.980 4.115 -4.924 204 1HB HIS 26 HB2 HIS 26 -6.515 5.182 -6.324 205 2HB HIS 26 HB3 HIS 26 -8.191 5.664 -6.587 206 HD1 HIS 26 HD1 HIS 26 -9.296 7.218 -4.582 207 HD2 HIS 26 HD2 HIS 26 -5.235 6.195 -4.249 208 HE1 HIS 26 HE1 HIS 26 -8.314 8.727 -2.772 209 H TYR 27 H TYR 27 -8.557 1.532 -4.984 210 HA TYR 27 HA TYR 27 -8.710 -0.362 -6.187 211 1HB TYR 27 HB2 TYR 27 -9.090 1.290 -8.686 212 2HB TYR 27 HB3 TYR 27 -9.642 -0.347 -8.358 213 HD1 TYR 27 HD1 TYR 27 -10.930 -0.002 -5.637 214 HD2 TYR 27 HD2 TYR 27 -11.147 2.302 -9.280 215 HE1 TYR 27 HE1 TYR 27 -13.301 0.509 -5.187 216 HE2 TYR 27 HE2 TYR 27 -13.503 2.857 -8.777 217 HH TYR 27 HH TYR 27 -15.235 2.693 -7.246 218 H LYS 28 H LYS 28 -6.008 1.405 -6.274 219 HA LYS 28 HA LYS 28 -4.652 -0.189 -8.389 220 1HB LYS 28 HB2 LYS 28 -4.752 2.455 -8.244 221 2HB LYS 28 HB3 LYS 28 -3.585 2.233 -6.961 222 1HG LYS 28 HG2 LYS 28 -2.167 2.525 -8.783 223 2HG LYS 28 HG3 LYS 28 -2.283 0.766 -8.679 224 1HD LYS 28 HD2 LYS 28 -2.572 1.289 -10.991 225 2HD LYS 28 HD3 LYS 28 -4.192 0.958 -10.379 226 1HE LYS 28 HE2 LYS 28 -4.619 3.416 -10.196 227 2HE LYS 28 HE3 LYS 28 -2.999 3.724 -10.842 228 1HZ LYS 28 HZ1 LYS 28 -4.820 3.780 -12.507 229 2HZ LYS 28 HZ2 LYS 28 -3.681 2.644 -12.874 230 3HZ LYS 28 HZ3 LYS 28 -5.088 2.173 -12.263 231 H VAL 29 H VAL 29 -3.107 -1.697 -7.707 232 HA VAL 29 HA VAL 29 -2.841 -2.041 -4.777 233 HB VAL 29 HB VAL 29 -1.954 -4.012 -6.863 234 1HG1 VAL 29 HG11 VAL 29 -2.144 -5.566 -5.017 235 2HG1 VAL 29 HG12 VAL 29 -1.219 -4.186 -4.402 236 3HG1 VAL 29 HG13 VAL 29 -2.928 -4.352 -3.985 237 1HG2 VAL 29 HG21 VAL 29 -4.705 -3.629 -5.630 238 2HG2 VAL 29 HG22 VAL 29 -4.268 -3.653 -7.353 239 3HG2 VAL 29 HG23 VAL 29 -4.158 -5.132 -6.396 240 H TYR 30 H TYR 30 -0.934 -1.677 -3.786 241 HA TYR 30 HA TYR 30 1.515 -1.107 -5.421 242 1HB TYR 30 HB2 TYR 30 0.383 0.248 -2.952 243 2HB TYR 30 HB3 TYR 30 2.007 0.525 -3.520 244 HD1 TYR 30 HD1 TYR 30 2.270 1.374 -5.977 245 HD2 TYR 30 HD2 TYR 30 -1.531 1.320 -3.983 246 HE1 TYR 30 HE1 TYR 30 1.339 2.984 -7.648 247 HE2 TYR 30 HE2 TYR 30 -2.311 3.182 -5.457 248 HH TYR 30 HH TYR 30 -1.762 4.641 -7.107 249 H ASP 31 H ASP 31 3.250 -2.367 -4.894 250 HA ASP 31 HA ASP 31 3.155 -4.000 -2.390 251 1HB ASP 31 HB2 ASP 31 3.958 -5.191 -4.411 252 2HB ASP 31 HB3 ASP 31 5.236 -3.980 -4.613 253 H LEU 32 H LEU 32 4.251 -3.254 -0.609 254 HA LEU 32 HA LEU 32 6.506 -1.388 -1.043 255 1HB LEU 32 HB2 LEU 32 4.474 -1.012 1.106 256 2HB LEU 32 HB3 LEU 32 5.726 0.111 0.739 257 HG LEU 32 HG LEU 32 3.584 -0.399 -1.374 258 1HD1 LEU 32 HD11 LEU 32 3.318 1.664 0.785 259 2HD1 LEU 32 HD12 LEU 32 2.172 1.215 -0.508 260 3HD1 LEU 32 HD13 LEU 32 2.484 0.082 0.791 261 1HD2 LEU 32 HD21 LEU 32 4.302 1.710 -2.215 262 2HD2 LEU 32 HD22 LEU 32 5.189 2.098 -0.721 263 3HD2 LEU 32 HD23 LEU 32 5.783 0.833 -1.810 264 H THR 33 H THR 33 6.232 -4.285 -0.488 265 HA THR 33 HA THR 33 6.408 -4.775 2.349 266 HB THR 33 HB THR 33 5.847 -6.506 0.702 267 HG1 THR 33 HG1 THR 33 6.891 -6.946 2.867 268 1HG2 THR 33 HG21 THR 33 8.780 -6.880 0.075 269 2HG2 THR 33 HG22 THR 33 7.352 -7.711 -0.582 270 3HG2 THR 33 HG23 THR 33 7.678 -6.035 -1.017 271 H LYS 34 H LYS 34 8.765 -4.160 -0.143 272 HA LYS 34 HA LYS 34 11.009 -4.308 1.788 273 1HB LYS 34 HB2 LYS 34 10.668 -5.045 -0.921 274 2HB LYS 34 HB3 LYS 34 11.670 -3.614 -1.019 275 1HG LYS 34 HG2 LYS 34 12.480 -5.662 1.042 276 2HG LYS 34 HG3 LYS 34 12.512 -6.191 -0.644 277 1HD LYS 34 HD2 LYS 34 14.020 -4.406 -1.283 278 2HD LYS 34 HD3 LYS 34 13.825 -3.598 0.273 279 1HE LYS 34 HE2 LYS 34 15.993 -4.779 0.124 280 2HE LYS 34 HE3 LYS 34 14.992 -5.370 1.455 281 1HZ LYS 34 HZ1 LYS 34 14.390 -7.251 0.096 282 2HZ LYS 34 HZ2 LYS 34 15.296 -6.696 -1.163 283 3HZ LYS 34 HZ3 LYS 34 16.023 -7.155 0.238 284 H PHE 35 H PHE 35 8.813 -2.158 1.664 285 HA PHE 35 HA PHE 35 10.669 0.173 1.786 286 1HB PHE 35 HB2 PHE 35 8.751 -0.102 -0.146 287 2HB PHE 35 HB3 PHE 35 7.777 0.421 1.154 288 HD1 PHE 35 HD1 PHE 35 7.189 2.696 0.861 289 HD2 PHE 35 HD2 PHE 35 11.259 1.465 0.066 290 HE1 PHE 35 HE1 PHE 35 7.852 5.059 0.518 291 HE2 PHE 35 HE2 PHE 35 11.919 3.813 -0.193 292 HZ PHE 35 HZ PHE 35 10.221 5.628 -0.003 293 H LEU 36 H LEU 36 8.841 -1.963 3.646 294 HA LEU 36 HA LEU 36 7.204 -0.393 5.223 295 1HB LEU 36 HB2 LEU 36 8.966 -2.804 5.830 296 2HB LEU 36 HB3 LEU 36 7.869 -2.146 7.035 297 HG LEU 36 HG LEU 36 6.966 -3.109 4.285 298 1HD1 LEU 36 HD11 LEU 36 6.126 -5.085 5.522 299 2HD1 LEU 36 HD12 LEU 36 7.894 -4.947 5.599 300 3HD1 LEU 36 HD13 LEU 36 6.906 -4.481 7.001 301 1HD2 LEU 36 HD21 LEU 36 4.736 -3.166 5.545 302 2HD2 LEU 36 HD22 LEU 36 5.500 -2.154 6.780 303 3HD2 LEU 36 HD23 LEU 36 5.345 -1.568 5.106 304 H GLU 37 H GLU 37 10.580 -1.214 6.041 305 HA GLU 37 HA GLU 37 10.705 0.512 8.302 306 1HB GLU 37 HB2 GLU 37 12.180 -1.559 7.526 307 2HB GLU 37 HB3 GLU 37 13.162 -0.305 6.749 308 1HG GLU 37 HG2 GLU 37 13.368 0.808 9.000 309 2HG GLU 37 HG3 GLU 37 12.429 -0.526 9.702 310 H GLU 38 H GLU 38 11.439 0.931 4.878 311 HA GLU 38 HA GLU 38 12.952 3.332 4.979 312 1HB GLU 38 HB2 GLU 38 11.232 2.084 2.812 313 2HB GLU 38 HB3 GLU 38 12.330 3.397 2.547 314 1HG GLU 38 HG2 GLU 38 14.129 1.773 3.643 315 2HG GLU 38 HG3 GLU 38 12.976 0.512 3.180 316 H HIS 39 HN HIS 39 9.490 2.677 4.526 317 HA HIS 39 HA HIS 39 8.745 5.234 3.688 318 1HB HIS 39 HB2 HIS 39 7.317 3.368 3.334 319 2HB HIS 39 HB3 HIS 39 7.199 3.057 5.069 320 HD1 HIS 39 HND HIS 39 5.189 4.074 6.257 321 HD2 HIS 39 HD HIS 39 6.026 5.802 2.508 322 HE1 HIS 39 HE HIS 39 3.253 5.596 5.724 323 HA PRO 40 HA PRO 40 9.636 7.242 7.593 324 1HB PRO 40 HB2 PRO 40 8.849 9.821 7.047 325 2HB PRO 40 HB3 PRO 40 10.325 9.065 6.381 326 1HG PRO 40 HG2 PRO 40 7.612 9.281 5.046 327 2HG PRO 40 HG3 PRO 40 9.205 9.722 4.362 328 1HD PRO 40 HD2 PRO 40 8.073 7.340 3.824 329 2HD PRO 40 HD3 PRO 40 9.834 7.425 4.144 330 H GLY 41 H GLY 41 6.398 7.274 6.161 331 1HA GLY 41 HA1 GLY 41 4.962 8.255 8.428 332 2HA GLY 41 HA2 GLY 41 4.333 7.227 7.137 333 H GLY 42 H GLY 42 6.778 5.318 8.121 334 1HA GLY 42 HA1 GLY 42 7.222 4.109 10.047 335 2HA GLY 42 HA2 GLY 42 5.612 4.412 10.699 336 H GLU 43 H GLU 43 7.340 1.907 9.977 337 HA GLU 43 HA GLU 43 5.998 0.457 7.994 338 1HB GLU 43 HB2 GLU 43 6.941 -1.500 8.927 339 2HB GLU 43 HB3 GLU 43 8.159 -0.238 8.965 340 1HG GLU 43 HG2 GLU 43 8.047 -0.044 11.343 341 2HG GLU 43 HG3 GLU 43 6.550 -0.983 11.458 342 H ALA 44 H ALA 44 5.253 0.864 11.432 343 HA ALA 44 HA ALA 44 3.315 -1.132 11.726 344 1HB ALA 44 HB1 ALA 44 4.311 0.082 13.614 345 2HB ALA 44 HB2 ALA 44 3.471 1.573 13.131 346 3HB ALA 44 HB3 ALA 44 2.540 0.163 13.679 347 H VAL 45 H VAL 45 2.833 2.323 10.884 348 HA VAL 45 HA VAL 45 0.013 2.236 10.512 349 HB VAL 45 HB VAL 45 2.236 3.997 9.404 350 1HG1 VAL 45 HG11 VAL 45 -0.762 4.288 8.974 351 2HG1 VAL 45 HG12 VAL 45 0.420 5.592 8.744 352 3HG1 VAL 45 HG13 VAL 45 0.512 4.145 7.735 353 1HG2 VAL 45 HG21 VAL 45 1.720 4.149 11.846 354 2HG2 VAL 45 HG22 VAL 45 1.291 5.634 10.984 355 3HG2 VAL 45 HG23 VAL 45 0.021 4.485 11.450 356 H LEU 46 H LEU 46 2.703 1.872 8.114 357 HA LEU 46 HA LEU 46 0.984 1.283 5.967 358 1HB LEU 46 HB2 LEU 46 3.866 1.051 6.503 359 2HB LEU 46 HB3 LEU 46 3.299 -0.282 5.500 360 HG LEU 46 HG LEU 46 2.807 2.657 4.882 361 1HD1 LEU 46 HD11 LEU 46 5.209 1.926 4.719 362 2HD1 LEU 46 HD12 LEU 46 4.727 0.667 3.575 363 3HD1 LEU 46 HD13 LEU 46 4.512 2.377 3.148 364 1HD2 LEU 46 HD21 LEU 46 2.103 1.850 2.680 365 2HD2 LEU 46 HD22 LEU 46 2.391 0.160 3.167 366 3HD2 LEU 46 HD23 LEU 46 1.077 1.095 3.887 367 H ARG 47 H ARG 47 2.228 -0.892 8.489 368 HA ARG 47 HA ARG 47 1.419 -3.339 7.235 369 1HB ARG 47 HB2 ARG 47 2.976 -2.790 9.386 370 2HB ARG 47 HB3 ARG 47 1.490 -3.080 10.239 371 1HG ARG 47 HG2 ARG 47 2.548 -5.182 10.192 372 2HG ARG 47 HG3 ARG 47 1.304 -5.277 8.949 373 1HD ARG 47 HD2 ARG 47 2.922 -6.027 7.584 374 2HD ARG 47 HD3 ARG 47 3.515 -4.381 7.466 375 HE ARG 47 HE ARG 47 4.811 -6.649 8.641 376 1HH1 ARG 47 HH11 ARG 47 7.186 -4.829 10.492 377 2HH1 ARG 47 HH12 ARG 47 6.681 -6.476 10.042 378 1HH2 ARG 47 HH21 ARG 47 6.138 -3.106 9.962 379 2HH2 ARG 47 HH22 ARG 47 4.738 -3.075 8.879 380 H ALA 48 H ALA 48 -0.035 -1.196 9.684 381 HA ALA 48 HA ALA 48 -2.376 -2.666 10.241 382 1HB ALA 48 HB1 ALA 48 -1.845 0.335 10.282 383 2HB ALA 48 HB2 ALA 48 -3.190 -0.489 11.114 384 3HB ALA 48 HB3 ALA 48 -1.503 -0.807 11.591 385 H GLN 49 H GLN 49 -1.753 -0.098 7.792 386 HA GLN 49 HA GLN 49 -4.379 -0.318 6.586 387 1HB GLN 49 HB2 GLN 49 -1.767 1.126 6.112 388 2HB GLN 49 HB3 GLN 49 -2.845 0.936 4.746 389 1HG GLN 49 HG2 GLN 49 -3.304 3.016 5.919 390 2HG GLN 49 HG3 GLN 49 -4.693 1.928 5.947 391 1HE2 GLN 49 HE21 GLN 49 -5.617 1.434 7.943 392 2HE2 GLN 49 HE22 GLN 49 -4.909 1.927 9.468 393 H ALA 50 H ALA 50 -1.468 -2.229 6.293 394 HA ALA 50 HA ALA 50 -1.807 -3.052 3.617 395 1HB ALA 50 HB1 ALA 50 -0.260 -4.765 4.079 396 2HB ALA 50 HB2 ALA 50 0.204 -3.411 5.111 397 3HB ALA 50 HB3 ALA 50 -0.649 -4.784 5.812 398 H GLY 51 H GLY 51 -2.825 -4.851 2.699 399 1HA GLY 51 HA1 GLY 51 -4.140 -6.826 2.771 400 2HA GLY 51 HA2 GLY 51 -4.788 -6.419 4.370 401 H GLY 52 H GLY 52 -4.447 -4.762 1.282 402 1HA GLY 52 HA1 GLY 52 -5.911 -3.985 -0.284 403 2HA GLY 52 HA2 GLY 52 -6.870 -5.399 0.159 404 H ASP 53 H ASP 53 -6.280 -2.623 2.361 405 HA ASP 53 HA ASP 53 -8.524 -1.128 1.339 406 1HB ASP 53 HB2 ASP 53 -9.771 -2.794 2.719 407 2HB ASP 53 HB3 ASP 53 -8.852 -2.281 4.140 408 H ALA 54 H ALA 54 -6.869 0.459 1.109 409 HA ALA 54 HA ALA 54 -6.377 1.900 3.669 410 1HB ALA 54 HB1 ALA 54 -4.402 0.491 3.251 411 2HB ALA 54 HB2 ALA 54 -4.215 1.234 1.657 412 3HB ALA 54 HB3 ALA 54 -4.034 2.234 3.121 413 H THR 55 H THR 55 -7.920 2.198 0.896 414 HA THR 55 HA THR 55 -6.607 4.371 -0.402 415 HB THR 55 HB THR 55 -9.567 3.616 -0.382 416 HG1 THR 55 HG1 THR 55 -7.707 2.127 -1.174 417 1HG2 THR 55 HG21 THR 55 -7.857 5.331 -2.225 418 2HG2 THR 55 HG22 THR 55 -9.514 4.791 -2.611 419 3HG2 THR 55 HG23 THR 55 -9.233 5.899 -1.256 420 H ALA 56 H ALA 56 -9.369 4.415 1.885 421 HA ALA 56 HA ALA 56 -9.514 7.235 2.113 422 1HB ALA 56 HB1 ALA 56 -11.317 5.719 2.839 423 2HB ALA 56 HB2 ALA 56 -10.283 5.086 4.142 424 3HB ALA 56 HB3 ALA 56 -10.807 6.784 4.163 425 H ASN 57 H ASN 57 -7.655 4.829 4.016 426 HA ASN 57 HA ASN 57 -6.667 6.673 5.955 427 1HB ASN 57 HB2 ASN 57 -5.491 4.067 4.901 428 2HB ASN 57 HB3 ASN 57 -4.863 4.974 6.285 429 1HD2 ASN 57 HD21 ASN 57 -7.007 2.414 5.497 430 2HD2 ASN 57 HD22 ASN 57 -7.950 2.500 6.960 431 H PHE 58 H PHE 58 -5.222 5.522 2.881 432 HA PHE 58 HA PHE 58 -2.855 7.033 2.914 433 1HB PHE 58 HB2 PHE 58 -3.293 5.232 1.345 434 2HB PHE 58 HB3 PHE 58 -4.605 6.129 0.601 435 HD1 PHE 58 HD1 PHE 58 -0.917 6.180 1.180 436 HD2 PHE 58 HD2 PHE 58 -4.191 7.671 -1.191 437 HE1 PHE 58 HE1 PHE 58 0.694 7.020 -0.519 438 HE2 PHE 58 HE2 PHE 58 -2.585 8.497 -2.882 439 HZ PHE 58 HZ PHE 58 -0.137 8.138 -2.569 440 H GLU 59 H GLU 59 -6.024 7.925 1.360 441 HA GLU 59 HA GLU 59 -4.984 10.459 0.554 442 1HB GLU 59 HB2 GLU 59 -7.174 10.946 -0.281 443 2HB GLU 59 HB3 GLU 59 -6.645 9.315 -0.691 444 1HG GLU 59 HG2 GLU 59 -8.819 8.875 -0.132 445 2HG GLU 59 HG3 GLU 59 -8.013 8.597 1.412 446 H ALA 60 H ALA 60 -6.946 9.443 3.329 447 HA ALA 60 HA ALA 60 -7.456 11.933 4.497 448 1HB ALA 60 HB1 ALA 60 -7.535 10.711 6.659 449 2HB ALA 60 HB2 ALA 60 -8.427 9.879 5.375 450 3HB ALA 60 HB3 ALA 60 -6.826 9.286 5.876 451 H VAL 61 H VAL 61 -4.510 9.858 4.896 452 HA VAL 61 HA VAL 61 -3.082 11.824 6.470 453 HB VAL 61 HB VAL 61 -2.090 9.598 4.643 454 1HG1 VAL 61 HG11 VAL 61 0.066 9.870 5.742 455 2HG1 VAL 61 HG12 VAL 61 -0.324 11.355 4.904 456 3HG1 VAL 61 HG13 VAL 61 -0.520 11.268 6.665 457 1HG2 VAL 61 HG21 VAL 61 -2.232 9.810 7.689 458 2HG2 VAL 61 HG22 VAL 61 -3.356 8.867 6.700 459 3HG2 VAL 61 HG23 VAL 61 -1.645 8.422 6.751 460 H GLY 62 H GLY 62 -3.194 11.111 2.957 461 1HA GLY 62 HA1 GLY 62 -3.083 12.632 1.207 462 2HA GLY 62 HA2 GLY 62 -2.601 13.940 2.301 463 H HIS 63 HN HIS 63 -1.350 13.046 -0.263 464 HA HIS 63 HA HIS 63 1.413 12.597 0.646 465 1HB HIS 63 HB2 HIS 63 -0.231 10.688 -1.057 466 2HB HIS 63 HB3 HIS 63 1.520 10.779 -1.193 467 HD1 HIS 63 HND HIS 63 -1.110 9.776 1.503 468 HD2 HIS 63 HD HIS 63 2.975 9.546 0.540 469 HE1 HIS 63 HE HIS 63 -0.075 8.165 3.158 470 H SER 64 H SER 64 2.800 13.746 -0.608 471 HA SER 64 HA SER 64 1.679 15.691 -2.417 472 1HB SER 64 HB2 SER 64 4.537 15.012 -1.594 473 2HB SER 64 HB3 SER 64 4.101 16.427 -2.571 474 HG SER 64 HG SER 64 2.638 16.993 -0.815 475 H THR 65 H THR 65 3.145 16.192 -4.534 476 HA THR 65 HA THR 65 2.331 14.392 -6.539 477 HB THR 65 HB THR 65 4.178 15.803 -7.791 478 HG1 THR 65 HG1 THR 65 4.904 17.556 -6.556 479 1HG2 THR 65 HG21 THR 65 2.773 17.834 -7.778 480 2HG2 THR 65 HG22 THR 65 1.769 16.377 -7.884 481 3HG2 THR 65 HG23 THR 65 1.908 17.252 -6.341 482 H ASP 66 H ASP 66 5.601 15.028 -5.282 483 HA ASP 66 HA ASP 66 7.086 13.075 -6.557 484 1HB ASP 66 HB2 ASP 66 7.879 14.783 -4.852 485 2HB ASP 66 HB3 ASP 66 7.227 13.798 -3.560 486 H ALA 67 H ALA 67 5.413 12.699 -3.503 487 HA ALA 67 HA ALA 67 5.834 9.930 -3.097 488 1HB ALA 67 HB1 ALA 67 5.062 11.419 -1.316 489 2HB ALA 67 HB2 ALA 67 3.500 11.617 -2.124 490 3HB ALA 67 HB3 ALA 67 3.979 10.025 -1.503 491 H ARG 68 H ARG 68 3.142 11.601 -4.733 492 HA ARG 68 HA ARG 68 1.523 9.339 -5.397 493 1HB ARG 68 HB2 ARG 68 1.775 12.193 -6.127 494 2HB ARG 68 HB3 ARG 68 1.262 11.219 -7.488 495 1HG ARG 68 HG2 ARG 68 -0.739 10.666 -6.539 496 2HG ARG 68 HG3 ARG 68 -0.173 10.844 -4.858 497 1HD ARG 68 HD2 ARG 68 -0.205 13.179 -4.938 498 2HD ARG 68 HD3 ARG 68 -0.317 13.231 -6.719 499 HE ARG 68 HE ARG 68 -2.605 11.905 -5.979 500 1HH1 ARG 68 HH11 ARG 68 -4.711 14.711 -5.596 501 2HH1 ARG 68 HH12 ARG 68 -4.636 13.033 -6.017 502 1HH2 ARG 68 HH21 ARG 68 -2.711 15.879 -5.060 503 2HH2 ARG 68 HH22 ARG 68 -1.216 14.996 -5.042 504 H GLU 69 H GLU 69 4.363 10.836 -6.986 505 HA GLU 69 HA GLU 69 4.102 9.190 -9.375 506 1HB GLU 69 HB2 GLU 69 5.942 11.251 -8.278 507 2HB GLU 69 HB3 GLU 69 6.617 10.195 -9.514 508 1HG GLU 69 HG2 GLU 69 3.958 11.673 -9.829 509 2HG GLU 69 HG3 GLU 69 5.516 12.312 -10.355 510 H LEU 70 H LEU 70 6.134 9.235 -6.500 511 HA LEU 70 HA LEU 70 7.680 7.014 -6.930 512 1HB LEU 70 HB2 LEU 70 7.883 8.701 -5.129 513 2HB LEU 70 HB3 LEU 70 6.487 7.980 -4.339 514 HG LEU 70 HG LEU 70 7.708 6.569 -3.236 515 1HD1 LEU 70 HD11 LEU 70 7.684 4.960 -4.797 516 2HD1 LEU 70 HD12 LEU 70 8.990 5.683 -5.791 517 3HD1 LEU 70 HD13 LEU 70 9.346 4.989 -4.194 518 1HD2 LEU 70 HD21 LEU 70 10.125 7.860 -4.500 519 2HD2 LEU 70 HD22 LEU 70 9.202 8.471 -3.099 520 3HD2 LEU 70 HD23 LEU 70 10.072 6.931 -2.978 521 H SER 71 H SER 71 4.481 7.154 -5.329 522 HA SER 71 HA SER 71 3.812 4.531 -4.950 523 1HB SER 71 HB2 SER 71 1.867 6.308 -6.464 524 2HB SER 71 HB3 SER 71 1.530 5.005 -5.338 525 HG SER 71 HG SER 71 3.001 6.772 -4.021 526 H LYS 72 H LYS 72 3.789 6.144 -8.222 527 HA LYS 72 HA LYS 72 2.790 3.885 -9.616 528 1HB LYS 72 HB2 LYS 72 4.592 6.069 -10.711 529 2HB LYS 72 HB3 LYS 72 3.705 4.875 -11.624 530 1HG LYS 72 HG2 LYS 72 1.708 6.001 -9.962 531 2HG LYS 72 HG3 LYS 72 2.760 7.365 -10.346 532 1HD LYS 72 HD2 LYS 72 1.039 7.242 -12.031 533 2HD LYS 72 HD3 LYS 72 2.589 6.824 -12.757 534 1HE LYS 72 HE2 LYS 72 1.464 4.342 -11.802 535 2HE LYS 72 HE3 LYS 72 0.109 5.226 -12.495 536 1HZ LYS 72 HZ1 LYS 72 1.233 3.836 -14.098 537 2HZ LYS 72 HZ2 LYS 72 1.367 5.417 -14.537 538 3HZ LYS 72 HZ3 LYS 72 2.650 4.633 -13.867 539 H THR 73 H THR 73 6.045 4.665 -8.501 540 HA THR 73 HA THR 73 7.436 2.682 -10.102 541 HB THR 73 HB THR 73 8.267 4.197 -7.589 542 HG1 THR 73 HG1 THR 73 7.778 5.448 -9.479 543 1HG2 THR 73 HG21 THR 73 9.741 2.340 -7.727 544 2HG2 THR 73 HG22 THR 73 9.929 2.541 -9.493 545 3HG2 THR 73 HG23 THR 73 10.577 3.757 -8.369 546 H PHE 74 H PHE 74 5.325 2.453 -7.415 547 HA PHE 74 HA PHE 74 6.362 -0.245 -6.656 548 1HB PHE 74 HB2 PHE 74 4.824 1.882 -5.111 549 2HB PHE 74 HB3 PHE 74 4.913 0.215 -4.594 550 HD1 PHE 74 HD1 PHE 74 7.434 -0.811 -4.659 551 HD2 PHE 74 HD2 PHE 74 6.273 3.256 -3.834 552 HE1 PHE 74 HE1 PHE 74 9.553 -0.459 -3.428 553 HE2 PHE 74 HE2 PHE 74 8.331 3.547 -2.463 554 HZ PHE 74 HZ PHE 74 10.006 1.727 -2.351 555 H ILE 75 H ILE 75 4.232 1.166 -8.730 556 HA ILE 75 HA ILE 75 1.809 -0.212 -7.986 557 HB ILE 75 HB ILE 75 2.293 1.801 -9.632 558 1HG1 ILE 75 HG12 ILE 75 0.073 1.213 -8.984 559 2HG1 ILE 75 HG13 ILE 75 0.147 1.526 -10.724 560 1HG2 ILE 75 HG21 ILE 75 2.251 -0.510 -11.609 561 2HG2 ILE 75 HG22 ILE 75 2.206 1.223 -11.996 562 3HG2 ILE 75 HG23 ILE 75 3.646 0.500 -11.259 563 1HD1 ILE 75 HD11 ILE 75 0.303 -1.048 -10.994 564 2HD1 ILE 75 HD12 ILE 75 -0.064 -1.080 -9.253 565 3HD1 ILE 75 HD13 ILE 75 -1.222 -0.397 -10.400 566 H ILE 76 H ILE 76 1.323 -2.289 -8.247 567 HA ILE 76 HA ILE 76 3.049 -4.024 -9.989 568 HB ILE 76 HB ILE 76 2.091 -5.866 -8.586 569 1HG1 ILE 76 HG12 ILE 76 1.394 -3.633 -6.590 570 2HG1 ILE 76 HG13 ILE 76 0.202 -4.437 -7.596 571 1HG2 ILE 76 HG21 ILE 76 4.401 -4.918 -8.370 572 2HG2 ILE 76 HG22 ILE 76 3.809 -3.817 -7.112 573 3HG2 ILE 76 HG23 ILE 76 3.790 -5.574 -6.856 574 1HD1 ILE 76 HD11 ILE 76 0.920 -6.623 -6.644 575 2HD1 ILE 76 HD12 ILE 76 1.993 -5.727 -5.534 576 3HD1 ILE 76 HD13 ILE 76 0.248 -5.492 -5.454 577 H GLY 77 H GLY 77 -0.319 -3.100 -9.133 578 1HA GLY 77 HA1 GLY 77 -1.289 -3.324 -11.750 579 2HA GLY 77 HA2 GLY 77 -1.553 -4.879 -10.941 580 H GLU 78 H GLU 78 -3.799 -4.635 -10.873 581 HA GLU 78 HA GLU 78 -4.906 -2.329 -9.342 582 1HB GLU 78 HB2 GLU 78 -5.422 -3.184 -12.188 583 2HB GLU 78 HB3 GLU 78 -6.782 -2.604 -11.237 584 1HG GLU 78 HG2 GLU 78 -5.635 -0.584 -10.648 585 2HG GLU 78 HG3 GLU 78 -4.179 -1.079 -11.564 586 H LEU 79 H LEU 79 -7.114 -2.551 -8.805 587 HA LEU 79 HA LEU 79 -7.570 -4.977 -7.332 588 1HB LEU 79 HB2 LEU 79 -8.360 -2.826 -6.528 589 2HB LEU 79 HB3 LEU 79 -9.277 -2.570 -8.023 590 HG LEU 79 HG LEU 79 -10.793 -4.431 -7.468 591 1HD1 LEU 79 HD11 LEU 79 -9.826 -6.044 -6.126 592 2HD1 LEU 79 HD12 LEU 79 -8.789 -4.878 -5.292 593 3HD1 LEU 79 HD13 LEU 79 -10.488 -5.046 -4.823 594 1HD2 LEU 79 HD21 LEU 79 -10.547 -2.539 -5.144 595 2HD2 LEU 79 HD22 LEU 79 -11.125 -2.078 -6.765 596 3HD2 LEU 79 HD23 LEU 79 -12.006 -3.298 -5.843 597 H HIS 80 H HIS 80 -8.691 -6.742 -7.903 598 HA HIS 80 HA HIS 80 -9.394 -7.347 -10.549 599 1HB HIS 80 HB2 HIS 80 -9.035 -8.869 -8.509 600 2HB HIS 80 HB3 HIS 80 -10.749 -8.657 -8.175 601 HD1 HIS 80 HD1 HIS 80 -12.326 -10.108 -9.810 602 HD2 HIS 80 HD2 HIS 80 -8.209 -10.235 -10.627 603 HE1 HIS 80 HE1 HIS 80 -12.011 -11.918 -11.527 604 HA PRO 81 HA PRO 81 -13.178 -5.063 -10.970 605 1HB PRO 81 HB2 PRO 81 -14.250 -6.233 -13.205 606 2HB PRO 81 HB3 PRO 81 -12.844 -5.129 -13.226 607 1HG PRO 81 HG2 PRO 81 -12.792 -8.166 -13.176 608 2HG PRO 81 HG3 PRO 81 -11.914 -7.083 -14.301 609 1HD PRO 81 HD2 PRO 81 -10.726 -8.116 -12.139 610 2HD PRO 81 HD3 PRO 81 -10.409 -6.412 -12.584 611 H ASP 82 H ASP 82 -12.996 -8.367 -10.065 612 HA ASP 82 HA ASP 82 -15.833 -8.972 -9.911 613 1HB ASP 82 HB2 ASP 82 -14.128 -10.744 -9.838 614 2HB ASP 82 HB3 ASP 82 -13.478 -10.057 -8.303 615 H ASP 83 H ASP 83 -13.449 -7.289 -7.905 616 HA ASP 83 HA ASP 83 -15.103 -7.228 -5.521 617 1HB ASP 83 HB2 ASP 83 -12.609 -7.258 -5.543 618 2HB ASP 83 HB3 ASP 83 -12.639 -5.620 -6.224 619 H ARG 84 H ARG 84 -14.816 -5.216 -8.347 620 HA ARG 84 HA ARG 84 -15.393 -2.697 -7.104 621 1HB ARG 84 HB2 ARG 84 -14.581 -3.593 -9.699 622 2HB ARG 84 HB3 ARG 84 -16.135 -2.800 -9.931 623 1HG ARG 84 HG2 ARG 84 -14.580 -1.092 -10.212 624 2HG ARG 84 HG3 ARG 84 -15.227 -0.848 -8.586 625 1HD ARG 84 HD2 ARG 84 -12.820 -0.607 -8.421 626 2HD ARG 84 HD3 ARG 84 -13.269 -2.114 -7.651 627 HE ARG 84 HE ARG 84 -12.069 -3.309 -9.207 628 1HH1 ARG 84 HH11 ARG 84 -10.149 -2.133 -11.944 629 2HH1 ARG 84 HH12 ARG 84 -10.287 -3.384 -10.756 630 1HH2 ARG 84 HH21 ARG 84 -11.501 -0.191 -11.775 631 2HH2 ARG 84 HH22 ARG 84 -12.701 -0.121 -10.514 632 HHA HEM 201 HGM HEM 201 4.825 11.056 5.017 633 HHB HEM 201 HDM HEM 201 6.006 7.942 -0.517 634 HHC HEM 201 HAM HEM 201 1.115 3.940 0.723 635 HHD HEM 201 HBM HEM 201 0.334 6.693 6.540 636 1HMA HEM 201 HM81 HEM 201 6.907 10.032 -0.621 637 2HMA HEM 201 HM82 HEM 201 7.518 11.297 0.420 638 3HMA HEM 201 HM83 HEM 201 8.199 9.667 0.542 639 1HAA HEM 201 HAA1 HEM 201 6.560 12.071 3.944 640 2HAA HEM 201 HAA2 HEM 201 7.267 12.251 2.356 641 1HBA HEM 201 HBA1 HEM 201 5.581 13.998 2.886 642 2HBA HEM 201 HBA2 HEM 201 4.330 12.758 2.999 643 1HMB HEM 201 HM11 HEM 201 5.089 6.858 -2.648 644 2HMB HEM 201 HM12 HEM 201 6.155 5.682 -1.858 645 3HMB HEM 201 HM13 HEM 201 4.796 5.122 -2.841 646 HAB HEM 201 HT2A HEM 201 2.655 3.050 -1.395 647 1HBB HEM 201 HV2C HEM 201 1.255 5.441 -2.557 648 2HBB HEM 201 HV2T HEM 201 1.126 3.628 -3.019 649 1HMC HEM 201 HM31 HEM 201 -0.898 2.489 3.455 650 2HMC HEM 201 HM32 HEM 201 -1.889 3.670 2.585 651 3HMC HEM 201 HM33 HEM 201 -0.522 2.889 1.765 652 HAC HEM 201 HT4A HEM 201 -1.040 3.759 6.071 653 1HBC HEM 201 HV4C HEM 201 -2.267 6.447 5.251 654 2HBC HEM 201 HV4T HEM 201 -2.565 5.482 6.822 655 1HMD HEM 201 HM51 HEM 201 0.356 8.325 8.120 656 2HMD HEM 201 HM52 HEM 201 1.918 8.003 8.906 657 3HMD HEM 201 HM53 HEM 201 1.327 9.668 8.711 658 1HAD HEM 201 HAD1 HEM 201 3.508 10.484 8.535 659 2HAD HEM 201 HAD2 HEM 201 4.686 10.860 7.305 660 1HBD HEM 201 HBD1 HEM 201 2.635 12.224 6.287 661 2HBD HEM 201 HBD2 HEM 201 2.125 12.196 7.980 Start of MODEL 27 1 1H ALA 3 H1 ALA 3 2.658 -10.749 -16.245 2 2H ALA 3 H2 ALA 3 2.603 -11.712 -17.613 3 3H ALA 3 H3 ALA 3 3.648 -10.420 -17.506 4 HA ALA 3 HA ALA 3 0.745 -10.407 -17.760 5 1HB ALA 3 HB1 ALA 3 1.183 -8.647 -19.454 6 2HB ALA 3 HB2 ALA 3 2.929 -8.779 -19.144 7 3HB ALA 3 HB3 ALA 3 2.029 -10.149 -19.836 8 H VAL 4 H VAL 4 0.437 -7.571 -17.860 9 HA VAL 4 HA VAL 4 0.649 -6.783 -15.045 10 HB VAL 4 HB VAL 4 -1.272 -6.174 -17.329 11 1HG1 VAL 4 HG11 VAL 4 -2.656 -6.135 -15.336 12 2HG1 VAL 4 HG12 VAL 4 -1.440 -5.176 -14.458 13 3HG1 VAL 4 HG13 VAL 4 -2.320 -4.479 -15.834 14 1HG2 VAL 4 HG21 VAL 4 0.982 -5.049 -17.364 15 2HG2 VAL 4 HG22 VAL 4 -0.358 -3.908 -17.172 16 3HG2 VAL 4 HG23 VAL 4 0.624 -4.362 -15.766 17 H LYS 5 H LYS 5 -0.828 -7.539 -13.461 18 HA LYS 5 HA LYS 5 -2.912 -9.457 -14.214 19 1HB LYS 5 HB2 LYS 5 -1.020 -10.966 -13.930 20 2HB LYS 5 HB3 LYS 5 -0.566 -10.178 -12.404 21 1HG LYS 5 HG2 LYS 5 -2.665 -10.865 -11.379 22 2HG LYS 5 HG3 LYS 5 -3.217 -11.625 -12.880 23 1HD LYS 5 HD2 LYS 5 -1.929 -13.481 -12.567 24 2HD LYS 5 HD3 LYS 5 -0.580 -12.587 -11.841 25 1HE LYS 5 HE2 LYS 5 -1.518 -12.541 -9.700 26 2HE LYS 5 HE3 LYS 5 -3.175 -12.760 -10.274 27 1HZ LYS 5 HZ1 LYS 5 -2.732 -15.019 -10.723 28 2HZ LYS 5 HZ2 LYS 5 -1.140 -14.881 -10.304 29 3HZ LYS 5 HZ3 LYS 5 -2.319 -14.688 -9.172 30 H TYR 6 H TYR 6 -4.652 -8.899 -13.051 31 HA TYR 6 HA TYR 6 -4.447 -6.923 -10.925 32 1HB TYR 6 HB2 TYR 6 -6.909 -8.494 -11.690 33 2HB TYR 6 HB3 TYR 6 -6.763 -6.893 -10.939 34 HD1 TYR 6 HD1 TYR 6 -6.292 -4.923 -12.265 35 HD2 TYR 6 HD2 TYR 6 -6.768 -8.768 -14.111 36 HE1 TYR 6 HE1 TYR 6 -6.148 -3.853 -14.518 37 HE2 TYR 6 HE2 TYR 6 -6.672 -7.719 -16.348 38 HH TYR 6 HH TYR 6 -6.309 -5.775 -17.532 39 H TYR 7 H TYR 7 -5.323 -7.312 -8.741 40 HA TYR 7 HA TYR 7 -5.032 -10.160 -7.848 41 1HB TYR 7 HB2 TYR 7 -4.144 -7.726 -6.305 42 2HB TYR 7 HB3 TYR 7 -3.867 -9.422 -5.917 43 HD1 TYR 7 HD1 TYR 7 -2.532 -6.490 -7.503 44 HD2 TYR 7 HD2 TYR 7 -2.432 -10.794 -7.663 45 HE1 TYR 7 HE1 TYR 7 -0.391 -6.394 -8.728 46 HE2 TYR 7 HE2 TYR 7 -0.270 -10.685 -8.886 47 HH TYR 7 HH TYR 7 1.282 -9.307 -9.915 48 H THR 8 H THR 8 -6.578 -10.877 -6.446 49 HA THR 8 HA THR 8 -9.064 -9.364 -6.262 50 HB THR 8 HB THR 8 -9.888 -11.389 -5.174 51 HG1 THR 8 HG1 THR 8 -7.636 -12.913 -5.310 52 1HG2 THR 8 HG21 THR 8 -8.272 -11.796 -7.709 53 2HG2 THR 8 HG22 THR 8 -9.058 -13.170 -6.917 54 3HG2 THR 8 HG23 THR 8 -10.023 -11.786 -7.446 55 H LEU 9 H LEU 9 -10.063 -8.623 -4.237 56 HA LEU 9 HA LEU 9 -8.560 -7.567 -2.292 57 1HB LEU 9 HB2 LEU 9 -11.352 -8.117 -2.737 58 2HB LEU 9 HB3 LEU 9 -11.024 -8.747 -1.235 59 HG LEU 9 HG LEU 9 -10.191 -5.918 -1.987 60 1HD1 LEU 9 HD11 LEU 9 -12.146 -5.049 -1.014 61 2HD1 LEU 9 HD12 LEU 9 -12.714 -6.362 -2.052 62 3HD1 LEU 9 HD13 LEU 9 -12.613 -6.610 -0.298 63 1HD2 LEU 9 HD21 LEU 9 -10.117 -5.578 0.495 64 2HD2 LEU 9 HD22 LEU 9 -10.436 -7.310 0.719 65 3HD2 LEU 9 HD23 LEU 9 -8.930 -6.772 -0.056 66 H GLU 10 H GLU 10 -9.643 -10.935 -2.514 67 HA GLU 10 HA GLU 10 -8.769 -11.851 0.012 68 1HB GLU 10 HB2 GLU 10 -10.269 -12.991 -1.705 69 2HB GLU 10 HB3 GLU 10 -8.807 -13.463 -2.558 70 1HG GLU 10 HG2 GLU 10 -9.394 -15.308 -1.148 71 2HG GLU 10 HG3 GLU 10 -7.964 -14.561 -0.436 72 H GLU 11 H GLU 11 -7.130 -12.236 -3.192 73 HA GLU 11 HA GLU 11 -4.716 -13.260 -2.240 74 1HB GLU 11 HB2 GLU 11 -5.595 -11.807 -4.708 75 2HB GLU 11 HB3 GLU 11 -3.903 -11.632 -4.317 76 1HG GLU 11 HG2 GLU 11 -4.032 -13.498 -5.764 77 2HG GLU 11 HG3 GLU 11 -3.687 -14.140 -4.154 78 H ILE 12 H ILE 12 -5.654 -9.829 -2.683 79 HA ILE 12 HA ILE 12 -3.159 -8.786 -1.814 80 HB ILE 12 HB ILE 12 -5.934 -7.516 -1.749 81 1HG1 ILE 12 HG12 ILE 12 -3.776 -6.987 -3.818 82 2HG1 ILE 12 HG13 ILE 12 -4.884 -8.333 -4.035 83 1HG2 ILE 12 HG21 ILE 12 -4.551 -5.354 -1.836 84 2HG2 ILE 12 HG22 ILE 12 -4.463 -6.228 -0.310 85 3HG2 ILE 12 HG23 ILE 12 -3.134 -6.336 -1.484 86 1HD1 ILE 12 HD11 ILE 12 -5.744 -6.381 -5.209 87 2HD1 ILE 12 HD12 ILE 12 -6.832 -6.814 -3.888 88 3HD1 ILE 12 HD13 ILE 12 -5.722 -5.440 -3.726 89 H GLN 13 H GLN 13 -6.217 -9.447 0.033 90 HA GLN 13 HA GLN 13 -5.462 -8.525 2.550 91 1HB GLN 13 HB2 GLN 13 -7.327 -10.674 1.548 92 2HB GLN 13 HB3 GLN 13 -6.954 -10.582 3.240 93 1HG GLN 13 HG2 GLN 13 -7.686 -7.931 2.168 94 2HG GLN 13 HG3 GLN 13 -8.919 -9.150 1.868 95 1HE2 GLN 13 HE21 GLN 13 -7.656 -7.056 4.297 96 2HE2 GLN 13 HE22 GLN 13 -8.646 -7.686 5.603 97 H LYS 14 H LYS 14 -4.713 -11.673 0.989 98 HA LYS 14 HA LYS 14 -3.467 -12.795 3.285 99 1HB LYS 14 HB2 LYS 14 -2.912 -13.347 0.348 100 2HB LYS 14 HB3 LYS 14 -2.354 -14.328 1.708 101 1HG LYS 14 HG2 LYS 14 -4.746 -14.693 2.402 102 2HG LYS 14 HG3 LYS 14 -5.267 -13.751 1.026 103 1HD LYS 14 HD2 LYS 14 -5.557 -15.870 0.261 104 2HD LYS 14 HD3 LYS 14 -4.020 -15.411 -0.482 105 1HE LYS 14 HE2 LYS 14 -2.777 -16.703 1.227 106 2HE LYS 14 HE3 LYS 14 -4.269 -16.986 2.141 107 1HZ LYS 14 HZ1 LYS 14 -3.727 -18.900 0.880 108 2HZ LYS 14 HZ2 LYS 14 -5.106 -18.244 0.272 109 3HZ LYS 14 HZ3 LYS 14 -3.685 -18.056 -0.535 110 H HIS 15 H HIS 15 -2.284 -10.286 1.150 111 HA HIS 15 HA HIS 15 0.503 -10.519 2.203 112 1HB HIS 15 HB2 HIS 15 -0.711 -9.076 -0.166 113 2HB HIS 15 HB3 HIS 15 0.933 -8.790 0.432 114 HD1 HIS 15 HD1 HIS 15 2.631 -10.078 -0.957 115 HD2 HIS 15 HD2 HIS 15 -1.075 -12.015 -0.573 116 HE1 HIS 15 HE1 HIS 15 2.841 -12.313 -2.184 117 H ASN 16 H ASN 16 -0.679 -9.915 4.263 118 HA ASN 16 HA ASN 16 -1.001 -6.965 4.559 119 1HB ASN 16 HB2 ASN 16 -1.828 -7.519 6.840 120 2HB ASN 16 HB3 ASN 16 -2.824 -8.100 5.511 121 1HD2 ASN 16 HD21 ASN 16 -3.032 -10.358 5.118 122 2HD2 ASN 16 HD22 ASN 16 -2.391 -11.554 6.228 123 H ASN 17 H ASN 17 0.552 -9.502 6.610 124 HA ASN 17 HA ASN 17 3.081 -8.010 6.704 125 1HB ASN 17 HB2 ASN 17 2.910 -7.938 9.249 126 2HB ASN 17 HB3 ASN 17 2.033 -6.718 8.331 127 1HD2 ASN 17 HD21 ASN 17 -0.182 -6.404 8.733 128 2HD2 ASN 17 HD22 ASN 17 -1.106 -7.562 9.671 129 H SER 18 H SER 18 3.353 -10.068 5.528 130 HA SER 18 HA SER 18 4.686 -11.969 7.251 131 1HB SER 18 HB2 SER 18 2.073 -12.779 5.911 132 2HB SER 18 HB3 SER 18 3.360 -13.959 6.229 133 HG SER 18 HG SER 18 2.473 -12.255 8.291 134 H LYS 19 H LYS 19 3.153 -12.284 4.012 135 HA LYS 19 HA LYS 19 5.723 -13.086 2.845 136 1HB LYS 19 HB2 LYS 19 2.868 -12.799 1.852 137 2HB LYS 19 HB3 LYS 19 4.192 -13.067 0.733 138 1HG LYS 19 HG2 LYS 19 4.302 -14.871 3.088 139 2HG LYS 19 HG3 LYS 19 2.793 -15.043 2.212 140 1HD LYS 19 HD2 LYS 19 3.760 -15.996 0.376 141 2HD LYS 19 HD3 LYS 19 5.167 -14.935 0.425 142 1HE LYS 19 HE2 LYS 19 5.814 -16.404 2.575 143 2HE LYS 19 HE3 LYS 19 4.778 -17.598 1.779 144 1HZ LYS 19 HZ1 LYS 19 7.134 -17.718 1.174 145 2HZ LYS 19 HZ2 LYS 19 6.201 -17.421 -0.149 146 3HZ LYS 19 HZ3 LYS 19 7.072 -16.207 0.544 147 H SER 20 H SER 20 3.474 -10.278 2.551 148 HA SER 20 HA SER 20 5.656 -8.524 2.340 149 1HB SER 20 HB2 SER 20 5.086 -9.612 -0.181 150 2HB SER 20 HB3 SER 20 4.077 -8.164 -0.139 151 HG SER 20 HG SER 20 5.925 -7.402 -0.833 152 H THR 21 H THR 21 4.807 -6.301 2.178 153 HA THR 21 HA THR 21 2.106 -5.927 3.317 154 HB THR 21 HB THR 21 4.327 -3.925 2.750 155 HG1 THR 21 HG1 THR 21 4.998 -5.604 4.138 156 1HG2 THR 21 HG21 THR 21 3.209 -2.456 4.226 157 2HG2 THR 21 HG22 THR 21 1.914 -3.113 3.241 158 3HG2 THR 21 HG23 THR 21 2.216 -3.768 4.882 159 H TRP 22 H TRP 22 0.668 -6.231 1.579 160 HA TRP 22 HA TRP 22 0.908 -4.374 -0.743 161 1HB TRP 22 HB2 TRP 22 -0.791 -6.852 -0.304 162 2HB TRP 22 HB3 TRP 22 -0.883 -5.779 -1.688 163 HD1 TRP 22 HD1 TRP 22 2.680 -6.344 -0.823 164 HE1 TRP 22 HE1 TRP 22 3.781 -7.742 -2.494 165 HE3 TRP 22 HE3 TRP 22 -1.521 -8.010 -3.215 166 HZ2 TRP 22 HZ2 TRP 22 2.976 -9.518 -4.723 167 HZ3 TRP 22 HZ3 TRP 22 -1.326 -9.596 -5.082 168 HH2 TRP 22 HH2 TRP 22 0.926 -10.290 -5.922 169 H LEU 23 H LEU 23 -1.439 -3.621 -1.368 170 HA LEU 23 HA LEU 23 -3.489 -3.364 0.511 171 1HB LEU 23 HB2 LEU 23 -3.081 -0.824 0.982 172 2HB LEU 23 HB3 LEU 23 -2.374 -2.046 1.985 173 HG LEU 23 HG LEU 23 -0.195 -1.791 0.584 174 1HD1 LEU 23 HD11 LEU 23 -1.622 0.721 -0.235 175 2HD1 LEU 23 HD12 LEU 23 0.076 0.328 -0.541 176 3HD1 LEU 23 HD13 LEU 23 -1.192 -0.606 -1.337 177 1HD2 LEU 23 HD21 LEU 23 0.074 0.594 1.753 178 2HD2 LEU 23 HD22 LEU 23 -1.366 0.005 2.635 179 3HD2 LEU 23 HD23 LEU 23 0.128 -0.948 2.635 180 H ILE 24 H ILE 24 -4.978 -1.515 -0.192 181 HA ILE 24 HA ILE 24 -4.754 -1.129 -3.165 182 HB ILE 24 HB ILE 24 -7.186 -1.531 -1.420 183 1HG1 ILE 24 HG12 ILE 24 -6.292 -3.228 -3.770 184 2HG1 ILE 24 HG13 ILE 24 -5.635 -3.498 -2.161 185 1HG2 ILE 24 HG21 ILE 24 -7.955 -0.028 -3.059 186 2HG2 ILE 24 HG22 ILE 24 -6.875 -0.692 -4.309 187 3HG2 ILE 24 HG23 ILE 24 -8.305 -1.604 -3.784 188 1HD1 ILE 24 HD11 ILE 24 -8.516 -3.851 -2.943 189 2HD1 ILE 24 HD12 ILE 24 -7.418 -4.977 -2.120 190 3HD1 ILE 24 HD13 ILE 24 -8.052 -3.576 -1.258 191 H LEU 25 H LEU 25 -4.199 0.874 -3.603 192 HA LEU 25 HA LEU 25 -5.417 3.203 -2.139 193 1HB LEU 25 HB2 LEU 25 -2.704 2.777 -3.353 194 2HB LEU 25 HB3 LEU 25 -3.393 4.377 -3.147 195 HG LEU 25 HG LEU 25 -2.856 4.563 -1.056 196 1HD1 LEU 25 HD11 LEU 25 -3.027 2.855 0.654 197 2HD1 LEU 25 HD12 LEU 25 -4.487 3.087 -0.281 198 3HD1 LEU 25 HD13 LEU 25 -3.483 1.660 -0.578 199 1HD2 LEU 25 HD21 LEU 25 -0.690 4.080 -1.787 200 2HD2 LEU 25 HD22 LEU 25 -0.861 3.014 -0.390 201 3HD2 LEU 25 HD23 LEU 25 -1.013 2.348 -1.995 202 H HIS 26 H HIS 26 -7.191 3.419 -3.388 203 HA HIS 26 HA HIS 26 -8.438 4.100 -5.146 204 1HB HIS 26 HB2 HIS 26 -5.888 5.010 -6.520 205 2HB HIS 26 HB3 HIS 26 -7.537 5.558 -6.817 206 HD1 HIS 26 HD1 HIS 26 -8.579 7.248 -4.937 207 HD2 HIS 26 HD2 HIS 26 -4.601 5.989 -4.418 208 HE1 HIS 26 HE1 HIS 26 -7.570 8.775 -3.190 209 H TYR 27 H TYR 27 -8.036 1.479 -5.099 210 HA TYR 27 HA TYR 27 -8.211 -0.428 -6.285 211 1HB TYR 27 HB2 TYR 27 -8.628 1.275 -8.753 212 2HB TYR 27 HB3 TYR 27 -9.193 -0.359 -8.473 213 HD1 TYR 27 HD1 TYR 27 -10.206 0.278 -5.493 214 HD2 TYR 27 HD2 TYR 27 -10.828 2.061 -9.380 215 HE1 TYR 27 HE1 TYR 27 -12.319 1.256 -4.708 216 HE2 TYR 27 HE2 TYR 27 -12.980 2.992 -8.594 217 HH TYR 27 HH TYR 27 -14.445 3.203 -6.818 218 H LYS 28 H LYS 28 -5.527 1.098 -6.191 219 HA LYS 28 HA LYS 28 -4.140 -0.533 -8.268 220 1HB LYS 28 HB2 LYS 28 -3.502 2.224 -7.182 221 2HB LYS 28 HB3 LYS 28 -2.367 1.219 -8.115 222 1HG LYS 28 HG2 LYS 28 -3.942 1.099 -9.937 223 2HG LYS 28 HG3 LYS 28 -5.167 2.012 -9.045 224 1HD LYS 28 HD2 LYS 28 -3.900 4.024 -9.194 225 2HD LYS 28 HD3 LYS 28 -2.461 3.174 -9.812 226 1HE LYS 28 HE2 LYS 28 -3.344 2.861 -11.943 227 2HE LYS 28 HE3 LYS 28 -4.971 2.610 -11.326 228 1HZ LYS 28 HZ1 LYS 28 -5.296 4.880 -11.030 229 2HZ LYS 28 HZ2 LYS 28 -3.804 5.241 -11.653 230 3HZ LYS 28 HZ3 LYS 28 -4.951 4.506 -12.590 231 H VAL 29 H VAL 29 -2.930 -2.092 -7.474 232 HA VAL 29 HA VAL 29 -2.465 -2.243 -4.605 233 HB VAL 29 HB VAL 29 -1.687 -4.311 -6.657 234 1HG1 VAL 29 HG11 VAL 29 -1.879 -5.843 -4.779 235 2HG1 VAL 29 HG12 VAL 29 -0.845 -4.510 -4.253 236 3HG1 VAL 29 HG13 VAL 29 -2.537 -4.570 -3.734 237 1HG2 VAL 29 HG21 VAL 29 -3.894 -5.375 -6.074 238 2HG2 VAL 29 HG22 VAL 29 -4.390 -3.827 -5.361 239 3HG2 VAL 29 HG23 VAL 29 -4.008 -3.944 -7.097 240 H TYR 30 H TYR 30 -0.520 -2.122 -3.631 241 HA TYR 30 HA TYR 30 1.921 -1.482 -5.238 242 1HB TYR 30 HB2 TYR 30 0.803 -0.154 -2.744 243 2HB TYR 30 HB3 TYR 30 2.378 0.197 -3.424 244 HD1 TYR 30 HD1 TYR 30 2.484 1.151 -5.792 245 HD2 TYR 30 HD2 TYR 30 -1.244 0.712 -3.722 246 HE1 TYR 30 HE1 TYR 30 1.343 2.627 -7.469 247 HE2 TYR 30 HE2 TYR 30 -2.306 2.271 -5.331 248 HH TYR 30 HH TYR 30 -1.993 3.742 -7.015 249 H ASP 31 H ASP 31 3.284 -3.189 -4.869 250 HA ASP 31 HA ASP 31 3.295 -4.616 -2.273 251 1HB ASP 31 HB2 ASP 31 3.623 -5.983 -4.296 252 2HB ASP 31 HB3 ASP 31 4.943 -4.916 -4.819 253 H LEU 32 H LEU 32 4.250 -3.316 -0.670 254 HA LEU 32 HA LEU 32 6.786 -1.966 -1.442 255 1HB LEU 32 HB2 LEU 32 5.092 -1.292 0.969 256 2HB LEU 32 HB3 LEU 32 6.523 -0.524 0.337 257 HG LEU 32 HG LEU 32 4.839 -0.514 -1.890 258 1HD1 LEU 32 HD11 LEU 32 3.058 -1.391 -0.253 259 2HD1 LEU 32 HD12 LEU 32 3.141 0.187 0.544 260 3HD1 LEU 32 HD13 LEU 32 2.640 0.053 -1.161 261 1HD2 LEU 32 HD21 LEU 32 5.133 1.663 0.201 262 2HD2 LEU 32 HD22 LEU 32 6.286 1.296 -1.104 263 3HD2 LEU 32 HD23 LEU 32 4.664 1.866 -1.510 264 H THR 33 H THR 33 5.892 -2.874 1.830 265 HA THR 33 HA THR 33 6.827 -4.073 3.378 266 HB THR 33 HB THR 33 6.511 -5.818 1.252 267 HG1 THR 33 HG1 THR 33 7.045 -6.439 3.958 268 1HG2 THR 33 HG21 THR 33 8.862 -6.217 0.980 269 2HG2 THR 33 HG22 THR 33 9.078 -6.500 2.735 270 3HG2 THR 33 HG23 THR 33 8.106 -7.615 1.754 271 H LYS 34 H LYS 34 9.244 -3.923 0.729 272 HA LYS 34 HA LYS 34 11.482 -3.735 2.638 273 1HB LYS 34 HB2 LYS 34 11.260 -3.576 -0.395 274 2HB LYS 34 HB3 LYS 34 12.779 -3.442 0.501 275 1HG LYS 34 HG2 LYS 34 12.938 -5.653 0.810 276 2HG LYS 34 HG3 LYS 34 11.309 -5.768 1.469 277 1HD LYS 34 HD2 LYS 34 10.406 -5.760 -0.910 278 2HD LYS 34 HD3 LYS 34 12.094 -5.840 -1.464 279 1HE LYS 34 HE2 LYS 34 12.313 -7.919 0.099 280 2HE LYS 34 HE3 LYS 34 10.549 -7.876 0.231 281 1HZ LYS 34 HZ1 LYS 34 11.314 -9.377 -1.472 282 2HZ LYS 34 HZ2 LYS 34 10.422 -8.169 -2.146 283 3HZ LYS 34 HZ3 LYS 34 12.067 -8.159 -2.277 284 H PHE 35 H PHE 35 9.051 -1.671 1.630 285 HA PHE 35 HA PHE 35 10.777 0.718 1.940 286 1HB PHE 35 HB2 PHE 35 9.127 0.252 -0.098 287 2HB PHE 35 HB3 PHE 35 7.940 0.777 1.065 288 HD1 PHE 35 HD1 PHE 35 11.395 1.930 0.037 289 HD2 PHE 35 HD2 PHE 35 7.275 3.032 0.726 290 HE1 PHE 35 HE1 PHE 35 11.919 4.272 -0.542 291 HE2 PHE 35 HE2 PHE 35 7.818 5.381 0.159 292 HZ PHE 35 HZ PHE 35 10.146 6.006 -0.472 293 H LEU 36 H LEU 36 9.099 -1.328 3.954 294 HA LEU 36 HA LEU 36 7.188 0.335 5.194 295 1HB LEU 36 HB2 LEU 36 8.953 -1.887 6.286 296 2HB LEU 36 HB3 LEU 36 7.666 -1.135 7.231 297 HG LEU 36 HG LEU 36 7.183 -2.385 4.536 298 1HD1 LEU 36 HD11 LEU 36 6.804 -3.535 7.344 299 2HD1 LEU 36 HD12 LEU 36 6.351 -4.361 5.840 300 3HD1 LEU 36 HD13 LEU 36 8.053 -4.052 6.195 301 1HD2 LEU 36 HD21 LEU 36 4.829 -2.522 5.641 302 2HD2 LEU 36 HD22 LEU 36 5.409 -1.161 6.613 303 3HD2 LEU 36 HD23 LEU 36 5.382 -1.043 4.834 304 H GLU 37 H GLU 37 10.495 -0.286 6.456 305 HA GLU 37 HA GLU 37 10.386 1.879 8.338 306 1HB GLU 37 HB2 GLU 37 12.448 -0.072 7.354 307 2HB GLU 37 HB3 GLU 37 13.056 1.443 8.021 308 1HG GLU 37 HG2 GLU 37 11.843 1.114 10.098 309 2HG GLU 37 HG3 GLU 37 11.070 -0.357 9.475 310 H GLU 38 H GLU 38 11.456 1.645 4.969 311 HA GLU 38 HA GLU 38 12.899 4.093 4.842 312 1HB GLU 38 HB2 GLU 38 11.396 2.613 2.688 313 2HB GLU 38 HB3 GLU 38 12.659 3.784 2.404 314 1HG GLU 38 HG2 GLU 38 13.576 1.575 4.189 315 2HG GLU 38 HG3 GLU 38 13.016 1.020 2.612 316 H HIS 39 HN HIS 39 9.515 3.226 4.179 317 HA HIS 39 HA HIS 39 8.520 5.517 2.999 318 1HB HIS 39 HB2 HIS 39 7.177 3.587 3.058 319 2HB HIS 39 HB3 HIS 39 7.295 3.449 4.813 320 HD1 HIS 39 HND HIS 39 5.482 4.513 6.206 321 HD2 HIS 39 HD HIS 39 5.569 5.772 2.205 322 HE1 HIS 39 HE HIS 39 3.411 5.948 5.865 323 HA PRO 40 HA PRO 40 9.265 8.106 6.641 324 1HB PRO 40 HB2 PRO 40 8.866 10.579 5.534 325 2HB PRO 40 HB3 PRO 40 10.299 9.566 5.218 326 1HG PRO 40 HG2 PRO 40 7.855 9.886 3.506 327 2HG PRO 40 HG3 PRO 40 9.561 9.889 2.987 328 1HD PRO 40 HD2 PRO 40 7.889 7.698 2.828 329 2HD PRO 40 HD3 PRO 40 9.659 7.555 3.056 330 H GLY 41 H GLY 41 7.287 6.848 7.308 331 1HA GLY 41 HA1 GLY 41 5.338 8.738 8.330 332 2HA GLY 41 HA2 GLY 41 4.634 7.516 7.251 333 H GLY 42 H GLY 42 4.210 5.483 8.163 334 1HA GLY 42 HA1 GLY 42 5.588 4.719 10.701 335 2HA GLY 42 HA2 GLY 42 3.827 4.753 10.607 336 H GLU 43 H GLU 43 6.506 2.771 10.312 337 HA GLU 43 HA GLU 43 5.786 1.012 8.220 338 1HB GLU 43 HB2 GLU 43 7.258 -0.536 9.246 339 2HB GLU 43 HB3 GLU 43 7.945 1.062 9.451 340 1HG GLU 43 HG2 GLU 43 8.329 -0.007 11.495 341 2HG GLU 43 HG3 GLU 43 6.919 0.982 11.868 342 H ALA 44 H ALA 44 4.863 1.107 11.655 343 HA ALA 44 HA ALA 44 3.189 -1.084 11.764 344 1HB ALA 44 HB1 ALA 44 2.849 1.578 13.230 345 2HB ALA 44 HB2 ALA 44 2.106 0.032 13.688 346 3HB ALA 44 HB3 ALA 44 3.869 0.219 13.750 347 H VAL 45 H VAL 45 2.175 2.338 11.019 348 HA VAL 45 HA VAL 45 -0.484 1.507 10.517 349 HB VAL 45 HB VAL 45 0.161 3.852 10.997 350 1HG1 VAL 45 HG11 VAL 45 0.788 3.990 8.018 351 2HG1 VAL 45 HG12 VAL 45 0.605 5.362 9.128 352 3HG1 VAL 45 HG13 VAL 45 1.926 4.223 9.367 353 1HG2 VAL 45 HG21 VAL 45 -1.589 4.567 8.968 354 2HG2 VAL 45 HG22 VAL 45 -1.916 2.841 9.159 355 3HG2 VAL 45 HG23 VAL 45 -2.033 3.917 10.551 356 H LEU 46 H LEU 46 2.421 1.701 8.133 357 HA LEU 46 HA LEU 46 0.667 0.860 6.022 358 1HB LEU 46 HB2 LEU 46 3.621 0.705 6.599 359 2HB LEU 46 HB3 LEU 46 2.977 -0.345 5.339 360 HG LEU 46 HG LEU 46 3.865 1.880 4.558 361 1HD1 LEU 46 HD11 LEU 46 2.082 2.215 2.905 362 2HD1 LEU 46 HD12 LEU 46 2.397 0.489 3.163 363 3HD1 LEU 46 HD13 LEU 46 0.966 1.251 3.885 364 1HD2 LEU 46 HD21 LEU 46 2.402 3.821 4.691 365 2HD2 LEU 46 HD22 LEU 46 1.290 2.993 5.770 366 3HD2 LEU 46 HD23 LEU 46 2.940 3.346 6.315 367 H ARG 47 H ARG 47 2.351 -1.145 8.464 368 HA ARG 47 HA ARG 47 1.636 -3.632 7.181 369 1HB ARG 47 HB2 ARG 47 2.880 -2.728 9.757 370 2HB ARG 47 HB3 ARG 47 2.179 -4.366 9.708 371 1HG ARG 47 HG2 ARG 47 3.501 -4.897 7.682 372 2HG ARG 47 HG3 ARG 47 4.207 -3.276 7.726 373 1HD ARG 47 HD2 ARG 47 5.567 -5.287 8.647 374 2HD ARG 47 HD3 ARG 47 5.598 -3.765 9.497 375 HE ARG 47 HE ARG 47 4.216 -6.286 10.281 376 1HH1 ARG 47 HH11 ARG 47 3.468 -5.088 13.500 377 2HH1 ARG 47 HH12 ARG 47 3.305 -6.425 12.402 378 1HH2 ARG 47 HH21 ARG 47 4.602 -3.066 12.812 379 2HH2 ARG 47 HH22 ARG 47 5.306 -3.057 11.279 380 H ALA 48 H ALA 48 0.032 -1.585 9.493 381 HA ALA 48 HA ALA 48 -1.854 -3.534 10.465 382 1HB ALA 48 HB1 ALA 48 -1.852 -0.488 10.495 383 2HB ALA 48 HB2 ALA 48 -2.883 -1.542 11.501 384 3HB ALA 48 HB3 ALA 48 -1.114 -1.537 11.719 385 H GLN 49 H GLN 49 -1.996 -0.846 8.020 386 HA GLN 49 HA GLN 49 -4.749 -1.633 7.360 387 1HB GLN 49 HB2 GLN 49 -2.947 0.687 6.957 388 2HB GLN 49 HB3 GLN 49 -3.925 0.346 5.561 389 1HG GLN 49 HG2 GLN 49 -5.094 0.630 8.359 390 2HG GLN 49 HG3 GLN 49 -4.922 1.945 7.191 391 1HE2 GLN 49 HE21 GLN 49 -6.765 2.340 5.924 392 2HE2 GLN 49 HE22 GLN 49 -7.770 1.025 5.308 393 H ALA 50 H ALA 50 -1.562 -2.391 6.324 394 HA ALA 50 HA ALA 50 -1.945 -3.055 3.704 395 1HB ALA 50 HB1 ALA 50 0.156 -3.183 4.647 396 2HB ALA 50 HB2 ALA 50 -0.303 -4.462 5.806 397 3HB ALA 50 HB3 ALA 50 -0.186 -4.811 4.062 398 H GLY 51 H GLY 51 -2.296 -4.983 2.584 399 1HA GLY 51 HA1 GLY 51 -3.672 -6.612 1.867 400 2HA GLY 51 HA2 GLY 51 -3.709 -7.260 3.517 401 H GLY 52 H GLY 52 -4.910 -4.216 1.861 402 1HA GLY 52 HA1 GLY 52 -7.629 -4.868 1.907 403 2HA GLY 52 HA2 GLY 52 -7.264 -4.076 3.459 404 H ASP 53 H ASP 53 -8.929 -2.592 2.317 405 HA ASP 53 HA ASP 53 -7.888 -0.646 0.425 406 1HB ASP 53 HB2 ASP 53 -10.326 -1.025 0.720 407 2HB ASP 53 HB3 ASP 53 -10.209 -0.374 2.366 408 H ALA 54 H ALA 54 -6.332 0.742 0.921 409 HA ALA 54 HA ALA 54 -6.429 2.043 3.603 410 1HB ALA 54 HB1 ALA 54 -4.465 0.480 3.482 411 2HB ALA 54 HB2 ALA 54 -3.860 1.411 2.113 412 3HB ALA 54 HB3 ALA 54 -4.047 2.209 3.697 413 H THR 55 H THR 55 -7.708 2.594 1.011 414 HA THR 55 HA THR 55 -6.156 4.661 -0.336 415 HB THR 55 HB THR 55 -9.133 3.961 -0.500 416 HG1 THR 55 HG1 THR 55 -7.501 2.289 -1.104 417 1HG2 THR 55 HG21 THR 55 -7.214 5.470 -2.326 418 2HG2 THR 55 HG22 THR 55 -8.895 5.059 -2.742 419 3HG2 THR 55 HG23 THR 55 -8.560 6.211 -1.432 420 H ALA 56 H ALA 56 -8.982 4.552 1.863 421 HA ALA 56 HA ALA 56 -9.238 7.348 2.252 422 1HB ALA 56 HB1 ALA 56 -10.396 6.726 4.369 423 2HB ALA 56 HB2 ALA 56 -10.968 5.806 2.964 424 3HB ALA 56 HB3 ALA 56 -9.875 5.041 4.141 425 H ASN 57 H ASN 57 -7.253 4.967 4.049 426 HA ASN 57 HA ASN 57 -6.306 6.862 5.976 427 1HB ASN 57 HB2 ASN 57 -5.528 4.061 5.118 428 2HB ASN 57 HB3 ASN 57 -4.303 4.999 5.954 429 1HD2 ASN 57 HD21 ASN 57 -7.892 4.670 6.440 430 2HD2 ASN 57 HD22 ASN 57 -7.713 4.253 8.133 431 H PHE 58 H PHE 58 -4.839 5.616 2.935 432 HA PHE 58 HA PHE 58 -2.444 7.082 2.945 433 1HB PHE 58 HB2 PHE 58 -2.863 5.362 1.348 434 2HB PHE 58 HB3 PHE 58 -4.326 6.136 0.770 435 HD1 PHE 58 HD1 PHE 58 -0.633 6.805 1.005 436 HD2 PHE 58 HD2 PHE 58 -4.268 7.267 -1.258 437 HE1 PHE 58 HE1 PHE 58 0.669 7.721 -0.893 438 HE2 PHE 58 HE2 PHE 58 -2.995 8.238 -3.121 439 HZ PHE 58 HZ PHE 58 -0.506 8.452 -2.964 440 H GLU 59 H GLU 59 -5.658 8.029 1.600 441 HA GLU 59 HA GLU 59 -4.869 10.677 0.896 442 1HB GLU 59 HB2 GLU 59 -7.540 9.359 1.394 443 2HB GLU 59 HB3 GLU 59 -7.385 11.019 0.796 444 1HG GLU 59 HG2 GLU 59 -5.784 8.905 -0.644 445 2HG GLU 59 HG3 GLU 59 -7.530 8.891 -0.846 446 H ALA 60 H ALA 60 -6.224 9.358 3.934 447 HA ALA 60 HA ALA 60 -6.953 11.729 5.198 448 1HB ALA 60 HB1 ALA 60 -6.654 10.545 7.303 449 2HB ALA 60 HB2 ALA 60 -7.345 9.434 6.104 450 3HB ALA 60 HB3 ALA 60 -5.627 9.328 6.534 451 H VAL 61 H VAL 61 -3.726 10.297 4.865 452 HA VAL 61 HA VAL 61 -2.287 12.291 6.403 453 HB VAL 61 HB VAL 61 -1.470 10.433 4.155 454 1HG1 VAL 61 HG11 VAL 61 0.816 10.737 4.722 455 2HG1 VAL 61 HG12 VAL 61 0.173 12.364 4.521 456 3HG1 VAL 61 HG13 VAL 61 0.414 11.714 6.148 457 1HG2 VAL 61 HG21 VAL 61 -0.673 8.956 5.872 458 2HG2 VAL 61 HG22 VAL 61 -1.086 10.113 7.156 459 3HG2 VAL 61 HG23 VAL 61 -2.356 9.293 6.227 460 H GLY 62 H GLY 62 -3.040 11.843 2.929 461 1HA GLY 62 HA1 GLY 62 -3.703 13.784 1.632 462 2HA GLY 62 HA2 GLY 62 -2.432 14.742 2.398 463 H HIS 63 HN HIS 63 -0.222 13.388 2.292 464 HA HIS 63 HA HIS 63 1.569 12.807 1.075 465 1HB HIS 63 HB2 HIS 63 -0.520 11.274 -0.543 466 2HB HIS 63 HB3 HIS 63 1.203 11.207 -0.842 467 HD1 HIS 63 HND HIS 63 -1.345 10.087 1.860 468 HD2 HIS 63 HD HIS 63 2.665 9.706 0.673 469 HE1 HIS 63 HE HIS 63 -0.328 8.307 3.344 470 H SER 64 H SER 64 2.910 13.541 -0.639 471 HA SER 64 HA SER 64 1.713 15.702 -2.300 472 1HB SER 64 HB2 SER 64 4.539 15.056 -1.419 473 2HB SER 64 HB3 SER 64 4.189 16.236 -2.695 474 HG SER 64 HG SER 64 4.249 17.086 -0.481 475 H THR 65 H THR 65 2.776 16.020 -4.483 476 HA THR 65 HA THR 65 1.954 14.102 -6.326 477 HB THR 65 HB THR 65 3.525 15.455 -7.838 478 HG1 THR 65 HG1 THR 65 4.692 17.089 -6.847 479 1HG2 THR 65 HG21 THR 65 1.165 16.361 -6.451 480 2HG2 THR 65 HG22 THR 65 2.299 17.720 -6.490 481 3HG2 THR 65 HG23 THR 65 1.813 16.930 -7.998 482 H ASP 66 H ASP 66 5.251 14.797 -5.199 483 HA ASP 66 HA ASP 66 6.728 12.855 -6.438 484 1HB ASP 66 HB2 ASP 66 7.281 14.624 -4.497 485 2HB ASP 66 HB3 ASP 66 7.071 13.251 -3.421 486 H ALA 67 H ALA 67 4.787 12.426 -3.518 487 HA ALA 67 HA ALA 67 5.272 9.615 -3.169 488 1HB ALA 67 HB1 ALA 67 2.641 10.424 -2.242 489 2HB ALA 67 HB2 ALA 67 4.033 9.840 -1.333 490 3HB ALA 67 HB3 ALA 67 3.891 11.567 -1.697 491 H ARG 68 H ARG 68 2.649 11.443 -4.814 492 HA ARG 68 HA ARG 68 1.010 9.256 -5.586 493 1HB ARG 68 HB2 ARG 68 1.543 11.807 -7.159 494 2HB ARG 68 HB3 ARG 68 0.214 10.713 -7.402 495 1HG ARG 68 HG2 ARG 68 0.614 12.278 -4.816 496 2HG ARG 68 HG3 ARG 68 -0.292 12.865 -6.206 497 1HD ARG 68 HD2 ARG 68 -1.672 10.709 -6.050 498 2HD ARG 68 HD3 ARG 68 -0.991 10.500 -4.436 499 HE ARG 68 HE ARG 68 -3.111 12.265 -5.293 500 1HH1 ARG 68 HH11 ARG 68 -3.347 13.911 -2.185 501 2HH1 ARG 68 HH12 ARG 68 -4.199 13.564 -3.657 502 1HH2 ARG 68 HH21 ARG 68 -1.247 13.147 -1.799 503 2HH2 ARG 68 HH22 ARG 68 -0.457 12.117 -2.981 504 H GLU 69 H GLU 69 3.976 10.584 -7.008 505 HA GLU 69 HA GLU 69 3.870 8.934 -9.422 506 1HB GLU 69 HB2 GLU 69 5.576 11.068 -8.250 507 2HB GLU 69 HB3 GLU 69 6.333 10.044 -9.461 508 1HG GLU 69 HG2 GLU 69 3.626 11.351 -9.976 509 2HG GLU 69 HG3 GLU 69 5.145 12.214 -10.241 510 H LEU 70 H LEU 70 5.668 9.024 -6.360 511 HA LEU 70 HA LEU 70 7.401 6.898 -6.850 512 1HB LEU 70 HB2 LEU 70 7.616 8.515 -5.060 513 2HB LEU 70 HB3 LEU 70 6.179 7.847 -4.281 514 HG LEU 70 HG LEU 70 7.205 6.167 -3.289 515 1HD1 LEU 70 HD11 LEU 70 8.978 5.953 -5.688 516 2HD1 LEU 70 HD12 LEU 70 9.251 5.001 -4.207 517 3HD1 LEU 70 HD13 LEU 70 7.701 4.881 -5.044 518 1HD2 LEU 70 HD21 LEU 70 9.943 7.073 -3.428 519 2HD2 LEU 70 HD22 LEU 70 8.875 8.475 -3.275 520 3HD2 LEU 70 HD23 LEU 70 8.781 7.165 -2.094 521 H SER 71 H SER 71 4.280 6.803 -5.097 522 HA SER 71 HA SER 71 3.766 4.140 -4.869 523 1HB SER 71 HB2 SER 71 1.775 6.157 -5.981 524 2HB SER 71 HB3 SER 71 1.402 4.616 -5.178 525 HG SER 71 HG SER 71 1.339 6.427 -3.733 526 H LYS 72 H LYS 72 3.256 5.927 -8.013 527 HA LYS 72 HA LYS 72 2.437 3.657 -9.483 528 1HB LYS 72 HB2 LYS 72 3.925 6.171 -10.335 529 2HB LYS 72 HB3 LYS 72 3.410 4.959 -11.465 530 1HG LYS 72 HG2 LYS 72 1.250 5.736 -9.575 531 2HG LYS 72 HG3 LYS 72 1.925 7.127 -10.405 532 1HD LYS 72 HD2 LYS 72 1.470 4.875 -12.281 533 2HD LYS 72 HD3 LYS 72 0.003 5.251 -11.413 534 1HE LYS 72 HE2 LYS 72 1.692 7.467 -12.676 535 2HE LYS 72 HE3 LYS 72 0.600 6.504 -13.673 536 1HZ LYS 72 HZ1 LYS 72 -0.284 7.964 -11.277 537 2HZ LYS 72 HZ2 LYS 72 -0.382 8.555 -12.809 538 3HZ LYS 72 HZ3 LYS 72 -1.226 7.207 -12.401 539 H THR 73 H THR 73 5.766 4.740 -8.693 540 HA THR 73 HA THR 73 7.099 2.752 -10.319 541 HB THR 73 HB THR 73 7.942 4.657 -8.136 542 HG1 THR 73 HG1 THR 73 8.158 5.520 -10.063 543 1HG2 THR 73 HG21 THR 73 9.684 2.368 -9.085 544 2HG2 THR 73 HG22 THR 73 10.239 3.826 -8.236 545 3HG2 THR 73 HG23 THR 73 9.151 2.701 -7.416 546 H PHE 74 H PHE 74 5.453 2.578 -7.288 547 HA PHE 74 HA PHE 74 6.562 -0.142 -6.704 548 1HB PHE 74 HB2 PHE 74 4.843 1.768 -5.075 549 2HB PHE 74 HB3 PHE 74 5.100 0.090 -4.627 550 HD1 PHE 74 HD1 PHE 74 7.660 -0.715 -4.688 551 HD2 PHE 74 HD2 PHE 74 6.190 3.239 -3.784 552 HE1 PHE 74 HE1 PHE 74 9.774 -0.199 -3.503 553 HE2 PHE 74 HE2 PHE 74 8.252 3.689 -2.474 554 HZ PHE 74 HZ PHE 74 10.092 2.028 -2.447 555 H ILE 75 H ILE 75 4.178 1.128 -8.685 556 HA ILE 75 HA ILE 75 1.917 -0.372 -7.813 557 HB ILE 75 HB ILE 75 2.167 1.545 -9.567 558 1HG1 ILE 75 HG12 ILE 75 0.109 -0.647 -9.452 559 2HG1 ILE 75 HG13 ILE 75 0.169 0.934 -8.637 560 1HG2 ILE 75 HG21 ILE 75 3.454 0.123 -11.221 561 2HG2 ILE 75 HG22 ILE 75 1.969 -0.842 -11.428 562 3HG2 ILE 75 HG23 ILE 75 2.007 0.883 -11.869 563 1HD1 ILE 75 HD11 ILE 75 -0.234 0.502 -11.589 564 2HD1 ILE 75 HD12 ILE 75 -1.415 1.074 -10.399 565 3HD1 ILE 75 HD13 ILE 75 0.014 2.081 -10.776 566 H ILE 76 H ILE 76 1.428 -2.530 -7.987 567 HA ILE 76 HA ILE 76 3.219 -4.235 -9.712 568 HB ILE 76 HB ILE 76 2.255 -6.101 -8.308 569 1HG1 ILE 76 HG12 ILE 76 1.648 -3.858 -6.328 570 2HG1 ILE 76 HG13 ILE 76 0.407 -4.599 -7.331 571 1HG2 ILE 76 HG21 ILE 76 3.995 -5.805 -6.655 572 2HG2 ILE 76 HG22 ILE 76 4.572 -5.127 -8.168 573 3HG2 ILE 76 HG23 ILE 76 4.000 -4.038 -6.893 574 1HD1 ILE 76 HD11 ILE 76 1.215 -5.444 -4.826 575 2HD1 ILE 76 HD12 ILE 76 0.276 -6.403 -5.988 576 3HD1 ILE 76 HD13 ILE 76 2.031 -6.600 -5.897 577 H GLY 77 H GLY 77 0.015 -2.933 -9.486 578 1HA GLY 77 HA1 GLY 77 -0.840 -3.667 -11.985 579 2HA GLY 77 HA2 GLY 77 -1.308 -5.040 -10.952 580 H GLU 78 H GLU 78 -3.466 -4.684 -10.915 581 HA GLU 78 HA GLU 78 -4.443 -2.284 -9.536 582 1HB GLU 78 HB2 GLU 78 -5.044 -3.106 -12.377 583 2HB GLU 78 HB3 GLU 78 -6.403 -2.660 -11.363 584 1HG GLU 78 HG2 GLU 78 -4.760 -0.592 -10.831 585 2HG GLU 78 HG3 GLU 78 -4.213 -0.965 -12.469 586 H LEU 79 H LEU 79 -6.682 -2.510 -8.985 587 HA LEU 79 HA LEU 79 -7.137 -4.865 -7.423 588 1HB LEU 79 HB2 LEU 79 -7.952 -2.593 -6.880 589 2HB LEU 79 HB3 LEU 79 -8.954 -2.605 -8.345 590 HG LEU 79 HG LEU 79 -10.229 -4.557 -7.411 591 1HD1 LEU 79 HD11 LEU 79 -9.789 -4.545 -4.718 592 2HD1 LEU 79 HD12 LEU 79 -9.020 -5.700 -5.825 593 3HD1 LEU 79 HD13 LEU 79 -8.142 -4.260 -5.264 594 1HD2 LEU 79 HD21 LEU 79 -10.975 -2.229 -7.205 595 2HD2 LEU 79 HD22 LEU 79 -11.514 -3.265 -5.872 596 3HD2 LEU 79 HD23 LEU 79 -10.165 -2.127 -5.620 597 H HIS 80 H HIS 80 -8.246 -6.681 -7.928 598 HA HIS 80 HA HIS 80 -8.733 -7.538 -10.511 599 1HB HIS 80 HB2 HIS 80 -8.587 -8.846 -8.403 600 2HB HIS 80 HB3 HIS 80 -10.293 -8.490 -8.099 601 HD1 HIS 80 HD1 HIS 80 -11.844 -10.307 -9.220 602 HD2 HIS 80 HD2 HIS 80 -7.869 -10.282 -10.581 603 HE1 HIS 80 HE1 HIS 80 -11.583 -12.339 -10.734 604 HA PRO 81 HA PRO 81 -12.401 -5.443 -11.715 605 1HB PRO 81 HB2 PRO 81 -13.225 -7.004 -13.840 606 2HB PRO 81 HB3 PRO 81 -11.917 -5.786 -13.878 607 1HG PRO 81 HG2 PRO 81 -11.668 -8.780 -13.565 608 2HG PRO 81 HG3 PRO 81 -10.658 -7.680 -14.553 609 1HD PRO 81 HD2 PRO 81 -9.913 -8.616 -12.122 610 2HD PRO 81 HD3 PRO 81 -9.433 -6.990 -12.687 611 H ASP 82 H ASP 82 -12.396 -8.458 -10.201 612 HA ASP 82 HA ASP 82 -15.365 -8.659 -10.166 613 1HB ASP 82 HB2 ASP 82 -13.583 -10.615 -10.763 614 2HB ASP 82 HB3 ASP 82 -13.633 -10.801 -8.984 615 H ASP 83 H ASP 83 -13.061 -7.053 -8.445 616 HA ASP 83 HA ASP 83 -13.972 -7.817 -5.732 617 1HB ASP 83 HB2 ASP 83 -11.659 -7.878 -6.127 618 2HB ASP 83 HB3 ASP 83 -11.660 -6.286 -6.937 619 H ARG 84 H ARG 84 -13.499 -4.934 -7.763 620 HA ARG 84 HA ARG 84 -14.507 -3.029 -6.012 621 1HB ARG 84 HB2 ARG 84 -14.776 -1.548 -7.863 622 2HB ARG 84 HB3 ARG 84 -13.266 -2.433 -8.050 623 1HG ARG 84 HG2 ARG 84 -15.800 -3.396 -9.454 624 2HG ARG 84 HG3 ARG 84 -14.945 -2.001 -10.069 625 1HD ARG 84 HD2 ARG 84 -13.774 -4.786 -9.664 626 2HD ARG 84 HD3 ARG 84 -14.322 -4.151 -11.185 627 HE ARG 84 HE ARG 84 -11.780 -3.702 -9.897 628 1HH1 ARG 84 HH11 ARG 84 -10.742 -1.165 -12.148 629 2HH1 ARG 84 HH12 ARG 84 -10.231 -2.269 -10.920 630 1HH2 ARG 84 HH21 ARG 84 -13.045 -1.156 -12.836 631 2HH2 ARG 84 HH22 ARG 84 -14.141 -2.230 -12.019 632 HHA HEM 201 HGM HEM 201 4.609 10.966 5.091 633 HHB HEM 201 HDM HEM 201 5.594 7.928 -0.543 634 HHC HEM 201 HAM HEM 201 0.683 4.042 0.754 635 HHD HEM 201 HBM HEM 201 0.199 6.556 6.698 636 1HMA HEM 201 HM81 HEM 201 6.454 9.987 -0.677 637 2HMA HEM 201 HM82 HEM 201 6.861 11.413 0.248 638 3HMA HEM 201 HM83 HEM 201 7.782 9.916 0.498 639 1HAA HEM 201 HAA1 HEM 201 6.564 11.922 3.895 640 2HAA HEM 201 HAA2 HEM 201 6.740 12.304 2.198 641 1HBA HEM 201 HBA1 HEM 201 4.538 13.011 4.102 642 2HBA HEM 201 HBA2 HEM 201 4.015 12.578 2.471 643 1HMB HEM 201 HM11 HEM 201 4.638 6.665 -2.704 644 2HMB HEM 201 HM12 HEM 201 5.729 5.580 -1.794 645 3HMB HEM 201 HM13 HEM 201 4.372 4.914 -2.704 646 HAB HEM 201 HT2A HEM 201 1.924 3.939 -2.315 647 1HBB HEM 201 HV2C HEM 201 2.546 2.483 0.246 648 2HBB HEM 201 HV2T HEM 201 1.531 1.937 -1.229 649 1HMC HEM 201 HM31 HEM 201 -0.940 2.394 3.119 650 2HMC HEM 201 HM32 HEM 201 -2.283 3.560 3.108 651 3HMC HEM 201 HM33 HEM 201 -1.246 3.393 1.691 652 HAC HEM 201 HT4A HEM 201 -1.981 5.415 6.107 653 1HBC HEM 201 HV4C HEM 201 -1.108 2.527 5.536 654 2HBC HEM 201 HV4T HEM 201 -2.322 3.125 6.814 655 1HMD HEM 201 HM51 HEM 201 0.195 8.313 8.295 656 2HMD HEM 201 HM52 HEM 201 1.698 7.540 8.848 657 3HMD HEM 201 HM53 HEM 201 1.462 9.281 9.052 658 1HAD HEM 201 HAD1 HEM 201 3.626 10.079 8.610 659 2HAD HEM 201 HAD2 HEM 201 4.361 11.011 7.327 660 1HBD HEM 201 HBD1 HEM 201 2.584 12.515 7.276 661 2HBD HEM 201 HBD2 HEM 201 1.503 11.394 8.121 Start of MODEL 28 1 1H ALA 3 H1 ALA 3 3.649 -3.904 -16.594 2 2H ALA 3 H2 ALA 3 4.409 -4.803 -15.458 3 3H ALA 3 H3 ALA 3 5.049 -4.694 -16.990 4 HA ALA 3 HA ALA 3 3.172 -5.877 -17.877 5 1HB ALA 3 HB1 ALA 3 5.112 -7.215 -17.047 6 2HB ALA 3 HB2 ALA 3 4.353 -7.299 -15.442 7 3HB ALA 3 HB3 ALA 3 3.571 -8.070 -16.836 8 H VAL 4 H VAL 4 0.923 -6.103 -17.657 9 HA VAL 4 HA VAL 4 -0.242 -5.083 -15.165 10 HB VAL 4 HB VAL 4 -1.535 -5.979 -17.768 11 1HG1 VAL 4 HG11 VAL 4 -2.711 -4.372 -15.448 12 2HG1 VAL 4 HG12 VAL 4 -3.518 -4.788 -16.969 13 3HG1 VAL 4 HG13 VAL 4 -3.118 -6.062 -15.815 14 1HG2 VAL 4 HG21 VAL 4 -1.788 -3.522 -18.141 15 2HG2 VAL 4 HG22 VAL 4 -0.872 -3.217 -16.649 16 3HG2 VAL 4 HG23 VAL 4 -0.080 -3.974 -18.049 17 H LYS 5 H LYS 5 -1.252 -6.291 -13.681 18 HA LYS 5 HA LYS 5 -2.310 -8.901 -14.196 19 1HB LYS 5 HB2 LYS 5 0.431 -8.783 -13.258 20 2HB LYS 5 HB3 LYS 5 -0.567 -9.344 -11.915 21 1HG LYS 5 HG2 LYS 5 -1.484 -11.140 -13.182 22 2HG LYS 5 HG3 LYS 5 -0.821 -10.540 -14.709 23 1HD LYS 5 HD2 LYS 5 1.023 -11.267 -12.414 24 2HD LYS 5 HD3 LYS 5 0.346 -12.525 -13.466 25 1HE LYS 5 HE2 LYS 5 1.253 -11.338 -15.480 26 2HE LYS 5 HE3 LYS 5 1.986 -10.124 -14.422 27 1HZ LYS 5 HZ1 LYS 5 2.646 -12.990 -14.574 28 2HZ LYS 5 HZ2 LYS 5 3.602 -11.721 -14.988 29 3HZ LYS 5 HZ3 LYS 5 3.236 -11.988 -13.408 30 H TYR 6 H TYR 6 -4.216 -8.732 -13.147 31 HA TYR 6 HA TYR 6 -4.457 -6.687 -11.091 32 1HB TYR 6 HB2 TYR 6 -6.643 -8.480 -12.123 33 2HB TYR 6 HB3 TYR 6 -6.755 -6.918 -11.306 34 HD1 TYR 6 HD1 TYR 6 -6.174 -4.821 -12.491 35 HD2 TYR 6 HD2 TYR 6 -6.369 -8.607 -14.524 36 HE1 TYR 6 HE1 TYR 6 -6.183 -3.641 -14.685 37 HE2 TYR 6 HE2 TYR 6 -6.429 -7.442 -16.702 38 HH TYR 6 HH TYR 6 -6.477 -5.406 -17.782 39 H TYR 7 H TYR 7 -5.273 -7.185 -8.917 40 HA TYR 7 HA TYR 7 -4.998 -10.060 -8.108 41 1HB TYR 7 HB2 TYR 7 -4.190 -7.683 -6.437 42 2HB TYR 7 HB3 TYR 7 -3.949 -9.389 -6.084 43 HD1 TYR 7 HD1 TYR 7 -2.707 -6.425 -7.781 44 HD2 TYR 7 HD2 TYR 7 -2.200 -10.682 -7.398 45 HE1 TYR 7 HE1 TYR 7 -0.569 -6.266 -8.965 46 HE2 TYR 7 HE2 TYR 7 -0.019 -10.522 -8.586 47 HH TYR 7 HH TYR 7 1.182 -7.391 -9.895 48 H THR 8 H THR 8 -6.466 -10.788 -6.615 49 HA THR 8 HA THR 8 -8.969 -9.296 -6.390 50 HB THR 8 HB THR 8 -9.824 -11.301 -5.375 51 HG1 THR 8 HG1 THR 8 -7.532 -12.815 -5.466 52 1HG2 THR 8 HG21 THR 8 -9.542 -11.349 -7.838 53 2HG2 THR 8 HG22 THR 8 -7.958 -12.130 -7.651 54 3HG2 THR 8 HG23 THR 8 -9.425 -12.962 -7.116 55 H LEU 9 H LEU 9 -9.950 -8.739 -4.355 56 HA LEU 9 HA LEU 9 -8.384 -7.532 -2.415 57 1HB LEU 9 HB2 LEU 9 -11.079 -7.855 -2.882 58 2HB LEU 9 HB3 LEU 9 -10.907 -8.772 -1.412 59 HG LEU 9 HG LEU 9 -10.082 -5.861 -1.836 60 1HD1 LEU 9 HD11 LEU 9 -12.254 -7.018 -0.037 61 2HD1 LEU 9 HD12 LEU 9 -11.900 -5.303 -0.346 62 3HD1 LEU 9 HD13 LEU 9 -12.559 -6.319 -1.633 63 1HD2 LEU 9 HD21 LEU 9 -8.541 -6.793 -0.187 64 2HD2 LEU 9 HD22 LEU 9 -9.768 -5.871 0.688 65 3HD2 LEU 9 HD23 LEU 9 -9.881 -7.640 0.627 66 H GLU 10 H GLU 10 -9.596 -10.860 -2.533 67 HA GLU 10 HA GLU 10 -8.648 -11.801 -0.060 68 1HB GLU 10 HB2 GLU 10 -10.176 -12.980 -1.718 69 2HB GLU 10 HB3 GLU 10 -8.736 -13.446 -2.609 70 1HG GLU 10 HG2 GLU 10 -9.335 -15.269 -1.142 71 2HG GLU 10 HG3 GLU 10 -7.844 -14.557 -0.528 72 H GLU 11 H GLU 11 -7.043 -12.203 -3.271 73 HA GLU 11 HA GLU 11 -4.643 -13.299 -2.330 74 1HB GLU 11 HB2 GLU 11 -5.480 -11.791 -4.787 75 2HB GLU 11 HB3 GLU 11 -3.790 -11.651 -4.375 76 1HG GLU 11 HG2 GLU 11 -3.834 -13.481 -5.814 77 2HG GLU 11 HG3 GLU 11 -3.678 -14.206 -4.212 78 H ILE 12 H ILE 12 -5.520 -9.849 -2.761 79 HA ILE 12 HA ILE 12 -3.023 -8.866 -1.838 80 HB ILE 12 HB ILE 12 -5.772 -7.544 -1.805 81 1HG1 ILE 12 HG12 ILE 12 -3.603 -7.072 -3.879 82 2HG1 ILE 12 HG13 ILE 12 -4.731 -8.394 -4.083 83 1HG2 ILE 12 HG21 ILE 12 -4.433 -6.172 -0.425 84 2HG2 ILE 12 HG22 ILE 12 -2.965 -6.482 -1.382 85 3HG2 ILE 12 HG23 ILE 12 -4.226 -5.427 -2.015 86 1HD1 ILE 12 HD11 ILE 12 -5.656 -6.507 -5.261 87 2HD1 ILE 12 HD12 ILE 12 -6.652 -6.795 -3.843 88 3HD1 ILE 12 HD13 ILE 12 -5.474 -5.469 -3.851 89 H GLN 13 H GLN 13 -6.049 -9.664 0.004 90 HA GLN 13 HA GLN 13 -5.243 -8.672 2.503 91 1HB GLN 13 HB2 GLN 13 -7.172 -10.818 1.580 92 2HB GLN 13 HB3 GLN 13 -6.630 -10.800 3.239 93 1HG GLN 13 HG2 GLN 13 -7.290 -8.243 3.169 94 2HG GLN 13 HG3 GLN 13 -8.234 -8.726 1.763 95 1HE2 GLN 13 HE21 GLN 13 -10.278 -8.332 2.807 96 2HE2 GLN 13 HE22 GLN 13 -10.795 -9.278 4.194 97 H LYS 14 H LYS 14 -4.564 -11.851 0.966 98 HA LYS 14 HA LYS 14 -3.156 -12.944 3.200 99 1HB LYS 14 HB2 LYS 14 -2.859 -13.380 0.210 100 2HB LYS 14 HB3 LYS 14 -1.868 -14.198 1.401 101 1HG LYS 14 HG2 LYS 14 -4.632 -14.487 2.233 102 2HG LYS 14 HG3 LYS 14 -4.584 -14.741 0.499 103 1HD LYS 14 HD2 LYS 14 -2.366 -16.222 1.342 104 2HD LYS 14 HD3 LYS 14 -3.456 -16.398 2.722 105 1HE LYS 14 HE2 LYS 14 -5.161 -17.403 1.281 106 2HE LYS 14 HE3 LYS 14 -4.285 -16.909 -0.180 107 1HZ LYS 14 HZ1 LYS 14 -3.403 -18.952 1.734 108 2HZ LYS 14 HZ2 LYS 14 -3.879 -19.167 0.172 109 3HZ LYS 14 HZ3 LYS 14 -2.482 -18.371 0.497 110 H HIS 15 H HIS 15 -2.231 -10.287 1.160 111 HA HIS 15 HA HIS 15 0.643 -10.515 1.950 112 1HB HIS 15 HB2 HIS 15 -0.687 -9.040 -0.347 113 2HB HIS 15 HB3 HIS 15 0.980 -8.851 0.139 114 HD1 HIS 15 HD1 HIS 15 2.372 -9.990 -1.663 115 HD2 HIS 15 HD2 HIS 15 -1.043 -12.148 -0.529 116 HE1 HIS 15 HE1 HIS 15 2.464 -12.211 -2.910 117 H ASN 16 H ASN 16 -0.040 -9.895 4.120 118 HA ASN 16 HA ASN 16 -0.099 -6.927 4.363 119 1HB ASN 16 HB2 ASN 16 -1.473 -7.318 6.492 120 2HB ASN 16 HB3 ASN 16 -2.252 -7.492 4.920 121 1HD2 ASN 16 HD21 ASN 16 -3.941 -8.642 6.105 122 2HD2 ASN 16 HD22 ASN 16 -3.711 -10.375 6.192 123 H ASN 17 H ASN 17 0.172 -9.509 6.765 124 HA ASN 17 HA ASN 17 2.836 -8.543 7.644 125 1HB ASN 17 HB2 ASN 17 1.207 -7.396 9.045 126 2HB ASN 17 HB3 ASN 17 0.356 -8.915 9.345 127 1HD2 ASN 17 HD21 ASN 17 3.893 -8.035 9.412 128 2HD2 ASN 17 HD22 ASN 17 4.118 -8.638 11.046 129 H SER 18 H SER 18 3.352 -10.387 6.344 130 HA SER 18 HA SER 18 4.100 -12.641 7.787 131 1HB SER 18 HB2 SER 18 1.392 -12.939 6.475 132 2HB SER 18 HB3 SER 18 2.548 -14.268 6.279 133 HG SER 18 HG SER 18 1.743 -13.108 8.738 134 H LYS 19 H LYS 19 2.710 -12.044 4.515 135 HA LYS 19 HA LYS 19 5.216 -13.082 3.367 136 1HB LYS 19 HB2 LYS 19 2.967 -13.980 2.649 137 2HB LYS 19 HB3 LYS 19 2.584 -12.388 1.991 138 1HG LYS 19 HG2 LYS 19 3.330 -13.690 0.157 139 2HG LYS 19 HG3 LYS 19 4.652 -12.588 0.534 140 1HD LYS 19 HD2 LYS 19 5.380 -14.739 2.101 141 2HD LYS 19 HD3 LYS 19 4.464 -15.595 0.889 142 1HE LYS 19 HE2 LYS 19 6.685 -13.581 0.229 143 2HE LYS 19 HE3 LYS 19 7.037 -15.272 0.579 144 1HZ LYS 19 HZ1 LYS 19 5.144 -14.527 -1.534 145 2HZ LYS 19 HZ2 LYS 19 6.762 -14.656 -1.807 146 3HZ LYS 19 HZ3 LYS 19 5.913 -15.966 -1.298 147 H SER 20 H SER 20 3.048 -10.281 2.487 148 HA SER 20 HA SER 20 5.408 -8.604 2.287 149 1HB SER 20 HB2 SER 20 3.603 -9.236 -0.083 150 2HB SER 20 HB3 SER 20 4.943 -8.092 -0.078 151 HG SER 20 HG SER 20 6.094 -10.178 0.770 152 H THR 21 H THR 21 4.743 -6.457 2.863 153 HA THR 21 HA THR 21 1.933 -5.965 3.426 154 HB THR 21 HB THR 21 4.318 -4.099 3.325 155 HG1 THR 21 HG1 THR 21 2.972 -5.703 5.241 156 1HG2 THR 21 HG21 THR 21 1.784 -3.138 3.398 157 2HG2 THR 21 HG22 THR 21 1.993 -3.628 5.090 158 3HG2 THR 21 HG23 THR 21 3.083 -2.454 4.374 159 H TRP 22 H TRP 22 0.743 -6.327 1.573 160 HA TRP 22 HA TRP 22 0.965 -4.277 -0.576 161 1HB TRP 22 HB2 TRP 22 -0.671 -6.822 -0.358 162 2HB TRP 22 HB3 TRP 22 -0.732 -5.680 -1.682 163 HD1 TRP 22 HD1 TRP 22 2.802 -6.281 -0.695 164 HE1 TRP 22 HE1 TRP 22 3.970 -7.651 -2.466 165 HE3 TRP 22 HE3 TRP 22 -1.324 -7.912 -3.201 166 HZ2 TRP 22 HZ2 TRP 22 3.206 -9.235 -4.786 167 HZ3 TRP 22 HZ3 TRP 22 -1.099 -9.459 -5.093 168 HH2 TRP 22 HH2 TRP 22 1.171 -10.038 -5.989 169 H LEU 23 H LEU 23 -1.465 -3.691 -1.244 170 HA LEU 23 HA LEU 23 -3.554 -3.479 0.580 171 1HB LEU 23 HB2 LEU 23 -3.207 -0.980 1.174 172 2HB LEU 23 HB3 LEU 23 -2.438 -2.215 2.127 173 HG LEU 23 HG LEU 23 -0.289 -1.831 0.727 174 1HD1 LEU 23 HD11 LEU 23 -1.154 -0.648 -1.192 175 2HD1 LEU 23 HD12 LEU 23 -1.912 0.557 -0.128 176 3HD1 LEU 23 HD13 LEU 23 -0.154 0.472 -0.255 177 1HD2 LEU 23 HD21 LEU 23 -1.363 0.423 2.400 178 2HD2 LEU 23 HD22 LEU 23 -0.596 -1.055 3.023 179 3HD2 LEU 23 HD23 LEU 23 0.355 0.070 2.027 180 H ILE 24 H ILE 24 -5.041 -1.588 -0.143 181 HA ILE 24 HA ILE 24 -4.736 -1.224 -3.115 182 HB ILE 24 HB ILE 24 -7.234 -1.608 -1.458 183 1HG1 ILE 24 HG12 ILE 24 -6.283 -3.343 -3.760 184 2HG1 ILE 24 HG13 ILE 24 -5.636 -3.620 -2.146 185 1HG2 ILE 24 HG21 ILE 24 -6.907 -1.195 -4.472 186 2HG2 ILE 24 HG22 ILE 24 -8.426 -1.575 -3.642 187 3HG2 ILE 24 HG23 ILE 24 -7.638 -0.027 -3.353 188 1HD1 ILE 24 HD11 ILE 24 -8.610 -3.684 -2.760 189 2HD1 ILE 24 HD12 ILE 24 -7.558 -5.077 -2.449 190 3HD1 ILE 24 HD13 ILE 24 -7.856 -3.896 -1.168 191 H LEU 25 H LEU 25 -4.271 0.796 -3.614 192 HA LEU 25 HA LEU 25 -5.514 3.112 -2.148 193 1HB LEU 25 HB2 LEU 25 -2.783 2.696 -3.329 194 2HB LEU 25 HB3 LEU 25 -3.499 4.297 -3.206 195 HG LEU 25 HG LEU 25 -3.108 4.596 -1.109 196 1HD1 LEU 25 HD11 LEU 25 -3.104 2.854 0.637 197 2HD1 LEU 25 HD12 LEU 25 -4.611 3.088 -0.241 198 3HD1 LEU 25 HD13 LEU 25 -3.599 1.686 -0.609 199 1HD2 LEU 25 HD21 LEU 25 -1.092 2.390 -1.729 200 2HD2 LEU 25 HD22 LEU 25 -0.971 4.139 -2.005 201 3HD2 LEU 25 HD23 LEU 25 -0.978 3.504 -0.362 202 H HIS 26 H HIS 26 -7.307 3.302 -3.399 203 HA HIS 26 HA HIS 26 -8.543 4.037 -5.133 204 1HB HIS 26 HB2 HIS 26 -6.025 4.948 -6.544 205 2HB HIS 26 HB3 HIS 26 -7.672 5.531 -6.760 206 HD1 HIS 26 HD1 HIS 26 -8.568 7.257 -4.816 207 HD2 HIS 26 HD2 HIS 26 -4.632 5.837 -4.490 208 HE1 HIS 26 HE1 HIS 26 -7.414 8.717 -3.067 209 H TYR 27 H TYR 27 -8.303 1.426 -5.149 210 HA TYR 27 HA TYR 27 -8.481 -0.475 -6.362 211 1HB TYR 27 HB2 TYR 27 -8.773 1.318 -8.798 212 2HB TYR 27 HB3 TYR 27 -9.367 -0.316 -8.606 213 HD1 TYR 27 HD1 TYR 27 -10.699 -0.265 -5.940 214 HD2 TYR 27 HD2 TYR 27 -10.686 2.663 -9.110 215 HE1 TYR 27 HE1 TYR 27 -13.089 0.177 -5.547 216 HE2 TYR 27 HE2 TYR 27 -13.016 3.267 -8.540 217 HH TYR 27 HH TYR 27 -14.863 2.783 -7.228 218 H LYS 28 H LYS 28 -5.769 0.837 -6.075 219 HA LYS 28 HA LYS 28 -4.357 -0.658 -8.227 220 1HB LYS 28 HB2 LYS 28 -3.645 2.036 -7.064 221 2HB LYS 28 HB3 LYS 28 -2.675 1.113 -8.199 222 1HG LYS 28 HG2 LYS 28 -5.386 1.419 -9.253 223 2HG LYS 28 HG3 LYS 28 -4.818 2.989 -8.672 224 1HD LYS 28 HD2 LYS 28 -2.762 2.731 -10.012 225 2HD LYS 28 HD3 LYS 28 -3.315 1.101 -10.509 226 1HE LYS 28 HE2 LYS 28 -5.317 2.067 -11.567 227 2HE LYS 28 HE3 LYS 28 -4.796 3.704 -11.132 228 1HZ LYS 28 HZ1 LYS 28 -3.441 1.762 -12.875 229 2HZ LYS 28 HZ2 LYS 28 -4.266 3.012 -13.401 230 3HZ LYS 28 HZ3 LYS 28 -2.859 3.325 -12.559 231 H VAL 29 H VAL 29 -2.965 -2.102 -7.446 232 HA VAL 29 HA VAL 29 -2.527 -2.218 -4.571 233 HB VAL 29 HB VAL 29 -1.611 -4.294 -6.551 234 1HG1 VAL 29 HG11 VAL 29 -1.097 -4.306 -3.977 235 2HG1 VAL 29 HG12 VAL 29 -2.816 -4.646 -3.786 236 3HG1 VAL 29 HG13 VAL 29 -1.787 -5.770 -4.704 237 1HG2 VAL 29 HG21 VAL 29 -4.435 -3.842 -5.539 238 2HG2 VAL 29 HG22 VAL 29 -3.874 -4.013 -7.222 239 3HG2 VAL 29 HG23 VAL 29 -3.834 -5.400 -6.134 240 H TYR 30 H TYR 30 -0.580 -2.084 -3.579 241 HA TYR 30 HA TYR 30 1.874 -1.372 -5.141 242 1HB TYR 30 HB2 TYR 30 0.627 -0.022 -2.712 243 2HB TYR 30 HB3 TYR 30 2.236 0.326 -3.290 244 HD1 TYR 30 HD1 TYR 30 -1.358 0.804 -3.819 245 HD2 TYR 30 HD2 TYR 30 2.501 1.321 -5.644 246 HE1 TYR 30 HE1 TYR 30 -2.325 2.428 -5.429 247 HE2 TYR 30 HE2 TYR 30 1.449 2.760 -7.387 248 HH TYR 30 HH TYR 30 -0.327 4.232 -7.712 249 H ASP 31 H ASP 31 3.462 -2.814 -4.557 250 HA ASP 31 HA ASP 31 3.279 -4.204 -1.915 251 1HB ASP 31 HB2 ASP 31 3.885 -5.664 -3.801 252 2HB ASP 31 HB3 ASP 31 5.218 -4.589 -4.230 253 H LEU 32 H LEU 32 4.048 -2.828 -0.316 254 HA LEU 32 HA LEU 32 6.596 -1.374 -0.911 255 1HB LEU 32 HB2 LEU 32 4.659 -0.706 1.242 256 2HB LEU 32 HB3 LEU 32 5.974 0.269 0.708 257 HG LEU 32 HG LEU 32 4.151 -0.278 -1.557 258 1HD1 LEU 32 HD11 LEU 32 3.001 1.365 0.714 259 2HD1 LEU 32 HD12 LEU 32 2.240 0.918 -0.836 260 3HD1 LEU 32 HD13 LEU 32 2.539 -0.318 0.375 261 1HD2 LEU 32 HD21 LEU 32 4.991 2.374 -0.397 262 2HD2 LEU 32 HD22 LEU 32 6.079 1.358 -1.363 263 3HD2 LEU 32 HD23 LEU 32 4.588 1.942 -2.084 264 H THR 33 H THR 33 6.013 -4.280 -0.029 265 HA THR 33 HA THR 33 6.414 -4.407 2.739 266 HB THR 33 HB THR 33 5.706 -6.211 1.092 267 HG1 THR 33 HG1 THR 33 7.514 -6.589 3.250 268 1HG2 THR 33 HG21 THR 33 8.668 -6.908 1.010 269 2HG2 THR 33 HG22 THR 33 7.318 -7.804 0.305 270 3HG2 THR 33 HG23 THR 33 7.739 -6.219 -0.342 271 H LYS 34 H LYS 34 8.788 -4.121 0.180 272 HA LYS 34 HA LYS 34 11.011 -4.283 2.147 273 1HB LYS 34 HB2 LYS 34 10.934 -5.574 -0.129 274 2HB LYS 34 HB3 LYS 34 11.234 -3.986 -0.854 275 1HG LYS 34 HG2 LYS 34 13.137 -3.902 1.022 276 2HG LYS 34 HG3 LYS 34 12.946 -5.660 1.015 277 1HD LYS 34 HD2 LYS 34 13.475 -5.712 -1.411 278 2HD LYS 34 HD3 LYS 34 13.441 -3.935 -1.451 279 1HE LYS 34 HE2 LYS 34 15.315 -4.184 0.461 280 2HE LYS 34 HE3 LYS 34 15.551 -5.770 -0.284 281 1HZ LYS 34 HZ1 LYS 34 15.682 -3.141 -1.622 282 2HZ LYS 34 HZ2 LYS 34 16.970 -4.077 -1.221 283 3HZ LYS 34 HZ3 LYS 34 15.915 -4.586 -2.381 284 H PHE 35 H PHE 35 8.970 -2.104 2.051 285 HA PHE 35 HA PHE 35 10.851 0.150 1.845 286 1HB PHE 35 HB2 PHE 35 8.958 -0.317 -0.101 287 2HB PHE 35 HB3 PHE 35 8.043 0.583 1.022 288 HD1 PHE 35 HD1 PHE 35 7.661 2.684 0.060 289 HD2 PHE 35 HD2 PHE 35 11.674 1.062 0.014 290 HE1 PHE 35 HE1 PHE 35 8.512 4.769 -0.964 291 HE2 PHE 35 HE2 PHE 35 12.514 3.180 -0.888 292 HZ PHE 35 HZ PHE 35 10.945 5.033 -1.424 293 H LEU 36 H LEU 36 9.360 -1.667 3.979 294 HA LEU 36 HA LEU 36 7.521 0.107 5.287 295 1HB LEU 36 HB2 LEU 36 9.134 -2.274 6.294 296 2HB LEU 36 HB3 LEU 36 7.841 -1.482 7.186 297 HG LEU 36 HG LEU 36 7.403 -2.762 4.462 298 1HD1 LEU 36 HD11 LEU 36 8.129 -4.424 6.110 299 2HD1 LEU 36 HD12 LEU 36 6.890 -3.850 7.253 300 3HD1 LEU 36 HD13 LEU 36 6.412 -4.618 5.713 301 1HD2 LEU 36 HD21 LEU 36 5.013 -2.727 5.397 302 2HD2 LEU 36 HD22 LEU 36 5.590 -1.550 6.584 303 3HD2 LEU 36 HD23 LEU 36 5.678 -1.180 4.843 304 H GLU 37 H GLU 37 10.914 -0.865 6.108 305 HA GLU 37 HA GLU 37 11.177 1.123 8.143 306 1HB GLU 37 HB2 GLU 37 13.595 0.651 7.961 307 2HB GLU 37 HB3 GLU 37 12.603 -0.789 8.188 308 1HG GLU 37 HG2 GLU 37 13.316 -0.067 5.346 309 2HG GLU 37 HG3 GLU 37 14.592 -0.681 6.388 310 H GLU 38 H GLU 38 11.571 1.207 4.677 311 HA GLU 38 HA GLU 38 13.074 3.644 4.478 312 1HB GLU 38 HB2 GLU 38 11.299 2.190 2.522 313 2HB GLU 38 HB3 GLU 38 12.411 3.452 2.068 314 1HG GLU 38 HG2 GLU 38 13.783 1.318 3.604 315 2HG GLU 38 HG3 GLU 38 13.007 0.704 2.147 316 H HIS 39 HN HIS 39 9.544 2.850 4.352 317 HA HIS 39 HA HIS 39 8.820 5.447 3.520 318 1HB HIS 39 HB2 HIS 39 7.380 3.608 3.068 319 2HB HIS 39 HB3 HIS 39 7.191 3.275 4.787 320 HD1 HIS 39 HND HIS 39 5.860 5.175 6.225 321 HD2 HIS 39 HD HIS 39 5.585 5.393 2.045 322 HE1 HIS 39 HE HIS 39 3.883 6.672 5.722 323 HA PRO 40 HA PRO 40 9.722 7.532 7.280 324 1HB PRO 40 HB2 PRO 40 8.324 9.916 6.937 325 2HB PRO 40 HB3 PRO 40 9.849 9.482 6.118 326 1HG PRO 40 HG2 PRO 40 7.033 9.187 5.053 327 2HG PRO 40 HG3 PRO 40 8.475 9.853 4.218 328 1HD PRO 40 HD2 PRO 40 7.654 7.349 3.787 329 2HD PRO 40 HD3 PRO 40 9.404 7.711 3.905 330 H GLY 41 H GLY 41 6.249 7.419 6.473 331 1HA GLY 41 HA1 GLY 41 5.073 8.146 8.842 332 2HA GLY 41 HA2 GLY 41 4.406 6.894 7.804 333 H GLY 42 H GLY 42 6.920 5.139 8.399 334 1HA GLY 42 HA1 GLY 42 7.825 4.053 10.212 335 2HA GLY 42 HA2 GLY 42 6.534 4.593 11.282 336 H GLU 43 H GLU 43 7.772 1.892 10.629 337 HA GLU 43 HA GLU 43 5.867 0.296 9.287 338 1HB GLU 43 HB2 GLU 43 7.778 -0.693 11.444 339 2HB GLU 43 HB3 GLU 43 7.088 -1.549 10.061 340 1HG GLU 43 HG2 GLU 43 8.444 0.081 8.608 341 2HG GLU 43 HG3 GLU 43 9.252 0.610 10.086 342 H ALA 44 H ALA 44 3.975 0.957 10.220 343 HA ALA 44 HA ALA 44 2.823 -0.867 12.150 344 1HB ALA 44 HB1 ALA 44 3.358 2.005 13.037 345 2HB ALA 44 HB2 ALA 44 2.047 1.018 13.722 346 3HB ALA 44 HB3 ALA 44 3.729 0.499 13.904 347 H VAL 45 H VAL 45 2.427 2.534 10.999 348 HA VAL 45 HA VAL 45 -0.337 2.144 10.479 349 HB VAL 45 HB VAL 45 0.868 4.322 10.860 350 1HG1 VAL 45 HG11 VAL 45 2.596 4.010 9.019 351 2HG1 VAL 45 HG12 VAL 45 1.285 4.342 7.853 352 3HG1 VAL 45 HG13 VAL 45 1.753 5.562 9.048 353 1HG2 VAL 45 HG21 VAL 45 -1.141 4.101 8.596 354 2HG2 VAL 45 HG22 VAL 45 -1.493 4.209 10.330 355 3HG2 VAL 45 HG23 VAL 45 -0.757 5.585 9.492 356 H LEU 46 H LEU 46 2.567 2.001 8.111 357 HA LEU 46 HA LEU 46 0.800 1.233 6.026 358 1HB LEU 46 HB2 LEU 46 3.701 0.426 6.270 359 2HB LEU 46 HB3 LEU 46 2.736 0.624 4.809 360 HG LEU 46 HG LEU 46 2.487 3.076 6.315 361 1HD1 LEU 46 HD11 LEU 46 4.553 3.780 6.910 362 2HD1 LEU 46 HD12 LEU 46 4.609 2.102 7.408 363 3HD1 LEU 46 HD13 LEU 46 5.395 2.564 5.896 364 1HD2 LEU 46 HD21 LEU 46 3.116 4.122 4.398 365 2HD2 LEU 46 HD22 LEU 46 4.090 2.756 3.800 366 3HD2 LEU 46 HD23 LEU 46 2.312 2.670 3.843 367 H ARG 47 H ARG 47 2.130 -0.683 8.638 368 HA ARG 47 HA ARG 47 1.744 -3.233 7.278 369 1HB ARG 47 HB2 ARG 47 3.637 -2.761 8.707 370 2HB ARG 47 HB3 ARG 47 2.579 -2.595 10.110 371 1HG ARG 47 HG2 ARG 47 2.526 -4.795 10.451 372 2HG ARG 47 HG3 ARG 47 2.028 -5.146 8.805 373 1HD ARG 47 HD2 ARG 47 4.933 -4.447 9.157 374 2HD ARG 47 HD3 ARG 47 4.387 -5.930 9.930 375 HE ARG 47 HE ARG 47 3.372 -5.883 7.261 376 1HH1 ARG 47 HH11 ARG 47 5.893 -7.814 5.797 377 2HH1 ARG 47 HH12 ARG 47 4.298 -7.133 5.641 378 1HH2 ARG 47 HH21 ARG 47 7.235 -7.092 7.654 379 2HH2 ARG 47 HH22 ARG 47 6.525 -6.030 8.823 380 H ALA 48 H ALA 48 -0.035 -1.237 9.605 381 HA ALA 48 HA ALA 48 -1.840 -3.279 10.506 382 1HB ALA 48 HB1 ALA 48 -2.040 -0.235 10.527 383 2HB ALA 48 HB2 ALA 48 -3.102 -1.346 11.421 384 3HB ALA 48 HB3 ALA 48 -1.373 -1.264 11.813 385 H GLN 49 H GLN 49 -2.175 -0.600 8.133 386 HA GLN 49 HA GLN 49 -4.817 -1.474 7.275 387 1HB GLN 49 HB2 GLN 49 -2.960 0.764 6.886 388 2HB GLN 49 HB3 GLN 49 -3.675 0.306 5.373 389 1HG GLN 49 HG2 GLN 49 -5.318 0.878 7.881 390 2HG GLN 49 HG3 GLN 49 -4.950 2.044 6.601 391 1HE2 GLN 49 HE21 GLN 49 -7.516 2.131 6.494 392 2HE2 GLN 49 HE22 GLN 49 -8.145 0.982 5.322 393 H ALA 50 H ALA 50 -1.636 -2.434 6.546 394 HA ALA 50 HA ALA 50 -1.633 -3.162 3.927 395 1HB ALA 50 HB1 ALA 50 0.053 -3.603 5.822 396 2HB ALA 50 HB2 ALA 50 -0.738 -5.157 6.024 397 3HB ALA 50 HB3 ALA 50 0.009 -4.735 4.454 398 H GLY 51 H GLY 51 -2.385 -4.897 2.663 399 1HA GLY 51 HA1 GLY 51 -3.941 -6.384 1.895 400 2HA GLY 51 HA2 GLY 51 -3.858 -7.169 3.478 401 H GLY 52 H GLY 52 -5.019 -3.962 2.266 402 1HA GLY 52 HA1 GLY 52 -7.791 -4.517 2.795 403 2HA GLY 52 HA2 GLY 52 -7.037 -3.539 4.077 404 H ASP 53 H ASP 53 -9.004 -2.290 2.848 405 HA ASP 53 HA ASP 53 -8.140 -0.654 0.599 406 1HB ASP 53 HB2 ASP 53 -10.297 0.470 1.041 407 2HB ASP 53 HB3 ASP 53 -10.475 -1.270 0.771 408 H ALA 54 H ALA 54 -6.388 0.510 1.177 409 HA ALA 54 HA ALA 54 -6.494 2.136 3.710 410 1HB ALA 54 HB1 ALA 54 -4.111 2.288 3.573 411 2HB ALA 54 HB2 ALA 54 -4.579 0.560 3.461 412 3HB ALA 54 HB3 ALA 54 -4.086 1.427 2.013 413 H THR 55 H THR 55 -7.676 2.466 0.819 414 HA THR 55 HA THR 55 -6.270 4.620 -0.394 415 HB THR 55 HB THR 55 -9.230 3.898 -0.533 416 HG1 THR 55 HG1 THR 55 -7.401 2.287 -1.150 417 1HG2 THR 55 HG21 THR 55 -9.002 4.938 -2.821 418 2HG2 THR 55 HG22 THR 55 -8.687 6.127 -1.540 419 3HG2 THR 55 HG23 THR 55 -7.327 5.373 -2.401 420 H ALA 56 H ALA 56 -9.129 4.610 1.772 421 HA ALA 56 HA ALA 56 -9.354 7.419 2.053 422 1HB ALA 56 HB1 ALA 56 -10.291 5.092 3.755 423 2HB ALA 56 HB2 ALA 56 -10.676 6.789 4.122 424 3HB ALA 56 HB3 ALA 56 -11.211 6.072 2.592 425 H ASN 57 H ASN 57 -7.439 5.038 3.934 426 HA ASN 57 HA ASN 57 -6.589 6.917 5.951 427 1HB ASN 57 HB2 ASN 57 -5.543 4.235 4.994 428 2HB ASN 57 HB3 ASN 57 -4.671 5.189 6.197 429 1HD2 ASN 57 HD21 ASN 57 -5.289 5.007 8.348 430 2HD2 ASN 57 HD22 ASN 57 -6.785 4.241 8.849 431 H PHE 58 H PHE 58 -5.023 5.678 3.003 432 HA PHE 58 HA PHE 58 -2.645 7.148 3.005 433 1HB PHE 58 HB2 PHE 58 -3.088 5.335 1.482 434 2HB PHE 58 HB3 PHE 58 -4.452 6.169 0.766 435 HD1 PHE 58 HD1 PHE 58 -4.195 7.839 -0.964 436 HD2 PHE 58 HD2 PHE 58 -0.770 6.106 0.978 437 HE1 PHE 58 HE1 PHE 58 -2.736 8.738 -2.740 438 HE2 PHE 58 HE2 PHE 58 0.699 6.976 -0.826 439 HZ PHE 58 HZ PHE 58 -0.283 8.290 -2.694 440 H GLU 59 H GLU 59 -5.803 8.053 1.477 441 HA GLU 59 HA GLU 59 -4.798 10.599 0.642 442 1HB GLU 59 HB2 GLU 59 -6.968 11.022 -0.226 443 2HB GLU 59 HB3 GLU 59 -6.476 9.357 -0.563 444 1HG GLU 59 HG2 GLU 59 -8.555 8.832 0.114 445 2HG GLU 59 HG3 GLU 59 -7.858 8.973 1.728 446 H ALA 60 H ALA 60 -6.735 9.559 3.464 447 HA ALA 60 HA ALA 60 -7.346 11.994 4.601 448 1HB ALA 60 HB1 ALA 60 -6.854 10.766 6.863 449 2HB ALA 60 HB2 ALA 60 -8.123 10.136 5.795 450 3HB ALA 60 HB3 ALA 60 -6.534 9.354 5.851 451 H VAL 61 H VAL 61 -4.225 10.248 4.992 452 HA VAL 61 HA VAL 61 -2.921 12.455 6.368 453 HB VAL 61 HB VAL 61 -1.938 10.012 4.861 454 1HG1 VAL 61 HG11 VAL 61 -0.183 11.637 4.492 455 2HG1 VAL 61 HG12 VAL 61 -0.296 12.228 6.164 456 3HG1 VAL 61 HG13 VAL 61 0.309 10.598 5.807 457 1HG2 VAL 61 HG21 VAL 61 -1.529 9.123 6.986 458 2HG2 VAL 61 HG22 VAL 61 -1.493 10.716 7.778 459 3HG2 VAL 61 HG23 VAL 61 -3.034 10.003 7.266 460 H GLY 62 H GLY 62 -2.980 11.348 2.947 461 1HA GLY 62 HA1 GLY 62 -3.088 12.787 1.099 462 2HA GLY 62 HA2 GLY 62 -2.510 14.157 2.056 463 H HIS 63 HN HIS 63 -1.539 12.946 -0.518 464 HA HIS 63 HA HIS 63 1.326 12.541 0.156 465 1HB HIS 63 HB2 HIS 63 -0.540 10.646 -1.316 466 2HB HIS 63 HB3 HIS 63 1.200 10.640 -1.571 467 HD1 HIS 63 HND HIS 63 -1.300 9.848 1.349 468 HD2 HIS 63 HD HIS 63 2.702 9.401 0.118 469 HE1 HIS 63 HE HIS 63 -0.193 8.309 3.024 470 H SER 64 H SER 64 2.312 14.089 -0.967 471 HA SER 64 HA SER 64 0.997 15.714 -2.865 472 1HB SER 64 HB2 SER 64 3.335 15.918 -1.357 473 2HB SER 64 HB3 SER 64 3.964 15.799 -3.007 474 HG SER 64 HG SER 64 3.357 17.957 -2.205 475 H THR 65 H THR 65 2.239 16.251 -5.082 476 HA THR 65 HA THR 65 1.541 14.230 -6.921 477 HB THR 65 HB THR 65 2.943 15.612 -8.503 478 HG1 THR 65 HG1 THR 65 3.957 17.445 -7.602 479 1HG2 THR 65 HG21 THR 65 1.523 17.527 -8.473 480 2HG2 THR 65 HG22 THR 65 0.536 16.242 -7.754 481 3HG2 THR 65 HG23 THR 65 1.304 17.460 -6.715 482 H ASP 66 H ASP 66 4.802 15.190 -5.931 483 HA ASP 66 HA ASP 66 6.302 13.251 -7.160 484 1HB ASP 66 HB2 ASP 66 6.986 15.200 -5.553 485 2HB ASP 66 HB3 ASP 66 6.803 14.054 -4.238 486 H ALA 67 H ALA 67 4.823 12.968 -3.972 487 HA ALA 67 HA ALA 67 5.555 10.250 -3.433 488 1HB ALA 67 HB1 ALA 67 3.133 11.761 -2.384 489 2HB ALA 67 HB2 ALA 67 3.873 10.312 -1.681 490 3HB ALA 67 HB3 ALA 67 4.766 11.846 -1.703 491 H ARG 68 H ARG 68 2.706 11.662 -5.001 492 HA ARG 68 HA ARG 68 1.194 9.263 -5.385 493 1HB ARG 68 HB2 ARG 68 -0.012 11.212 -5.341 494 2HB ARG 68 HB3 ARG 68 1.117 12.124 -6.315 495 1HG ARG 68 HG2 ARG 68 -0.513 9.907 -7.522 496 2HG ARG 68 HG3 ARG 68 -1.151 11.539 -7.325 497 1HD ARG 68 HD2 ARG 68 0.615 12.535 -8.632 498 2HD ARG 68 HD3 ARG 68 1.452 11.025 -8.837 499 HE ARG 68 HE ARG 68 -0.676 11.989 -10.413 500 1HH1 ARG 68 HH11 ARG 68 -1.541 8.940 -11.913 501 2HH1 ARG 68 HH12 ARG 68 -1.711 10.663 -11.949 502 1HH2 ARG 68 HH21 ARG 68 -0.217 7.942 -10.197 503 2HH2 ARG 68 HH22 ARG 68 0.656 8.944 -9.089 504 H GLU 69 H GLU 69 3.847 10.787 -7.196 505 HA GLU 69 HA GLU 69 3.570 8.929 -9.459 506 1HB GLU 69 HB2 GLU 69 5.247 11.261 -8.705 507 2HB GLU 69 HB3 GLU 69 5.940 10.144 -9.870 508 1HG GLU 69 HG2 GLU 69 3.120 11.243 -10.227 509 2HG GLU 69 HG3 GLU 69 4.551 12.115 -10.751 510 H LEU 70 H LEU 70 5.602 9.327 -6.588 511 HA LEU 70 HA LEU 70 7.414 7.261 -7.113 512 1HB LEU 70 HB2 LEU 70 7.596 8.985 -5.349 513 2HB LEU 70 HB3 LEU 70 6.273 8.199 -4.490 514 HG LEU 70 HG LEU 70 7.556 6.714 -3.531 515 1HD1 LEU 70 HD11 LEU 70 9.445 5.501 -4.525 516 2HD1 LEU 70 HD12 LEU 70 7.791 5.309 -5.122 517 3HD1 LEU 70 HD13 LEU 70 8.989 6.236 -6.081 518 1HD2 LEU 70 HD21 LEU 70 8.821 8.722 -3.019 519 2HD2 LEU 70 HD22 LEU 70 9.922 7.341 -3.165 520 3HD2 LEU 70 HD23 LEU 70 9.800 8.515 -4.493 521 H SER 71 H SER 71 4.332 7.182 -5.329 522 HA SER 71 HA SER 71 4.060 4.473 -4.996 523 1HB SER 71 HB2 SER 71 1.664 4.701 -4.983 524 2HB SER 71 HB3 SER 71 2.355 6.171 -4.249 525 HG SER 71 HG SER 71 1.971 7.191 -6.305 526 H LYS 72 H LYS 72 3.028 6.045 -8.002 527 HA LYS 72 HA LYS 72 2.410 3.801 -9.525 528 1HB LYS 72 HB2 LYS 72 3.487 6.544 -10.000 529 2HB LYS 72 HB3 LYS 72 3.829 5.435 -11.304 530 1HG LYS 72 HG2 LYS 72 1.034 5.727 -10.125 531 2HG LYS 72 HG3 LYS 72 1.723 6.945 -11.228 532 1HD LYS 72 HD2 LYS 72 2.297 5.055 -12.831 533 2HD LYS 72 HD3 LYS 72 1.276 3.989 -11.847 534 1HE LYS 72 HE2 LYS 72 -0.676 5.452 -12.307 535 2HE LYS 72 HE3 LYS 72 0.372 6.637 -13.112 536 1HZ LYS 72 HZ1 LYS 72 -0.773 5.260 -14.699 537 2HZ LYS 72 HZ2 LYS 72 0.852 5.077 -14.810 538 3HZ LYS 72 HZ3 LYS 72 -0.049 3.901 -14.102 539 H THR 73 H THR 73 5.726 4.984 -8.715 540 HA THR 73 HA THR 73 7.081 3.039 -10.374 541 HB THR 73 HB THR 73 7.922 4.992 -8.241 542 HG1 THR 73 HG1 THR 73 7.755 5.534 -10.425 543 1HG2 THR 73 HG21 THR 73 10.236 4.244 -8.389 544 2HG2 THR 73 HG22 THR 73 9.217 3.091 -7.522 545 3HG2 THR 73 HG23 THR 73 9.714 2.751 -9.199 546 H PHE 74 H PHE 74 5.631 2.871 -7.239 547 HA PHE 74 HA PHE 74 6.749 0.167 -6.657 548 1HB PHE 74 HB2 PHE 74 5.150 2.222 -5.112 549 2HB PHE 74 HB3 PHE 74 5.042 0.538 -4.653 550 HD1 PHE 74 HD1 PHE 74 6.712 -0.567 -3.484 551 HD2 PHE 74 HD2 PHE 74 7.588 3.167 -5.367 552 HE1 PHE 74 HE1 PHE 74 8.928 -0.564 -2.394 553 HE2 PHE 74 HE2 PHE 74 9.691 3.330 -4.083 554 HZ PHE 74 HZ PHE 74 10.386 1.416 -2.593 555 H ILE 75 H ILE 75 4.289 1.311 -8.628 556 HA ILE 75 HA ILE 75 2.072 -0.203 -7.722 557 HB ILE 75 HB ILE 75 2.332 1.664 -9.500 558 1HG1 ILE 75 HG12 ILE 75 0.314 -0.548 -9.662 559 2HG1 ILE 75 HG13 ILE 75 0.319 0.907 -8.623 560 1HG2 ILE 75 HG21 ILE 75 2.263 -0.738 -11.350 561 2HG2 ILE 75 HG22 ILE 75 2.398 0.984 -11.807 562 3HG2 ILE 75 HG23 ILE 75 3.756 0.181 -11.034 563 1HD1 ILE 75 HD11 ILE 75 -1.160 1.094 -10.550 564 2HD1 ILE 75 HD12 ILE 75 0.057 2.384 -10.403 565 3HD1 ILE 75 HD13 ILE 75 0.227 1.093 -11.634 566 H ILE 76 H ILE 76 1.512 -2.354 -7.875 567 HA ILE 76 HA ILE 76 3.369 -4.159 -9.420 568 HB ILE 76 HB ILE 76 2.431 -5.920 -7.903 569 1HG1 ILE 76 HG12 ILE 76 1.668 -3.602 -6.089 570 2HG1 ILE 76 HG13 ILE 76 0.493 -4.394 -7.138 571 1HG2 ILE 76 HG21 ILE 76 4.026 -3.704 -6.533 572 2HG2 ILE 76 HG22 ILE 76 4.094 -5.447 -6.195 573 3HG2 ILE 76 HG23 ILE 76 4.708 -4.829 -7.721 574 1HD1 ILE 76 HD11 ILE 76 2.196 -6.005 -5.230 575 2HD1 ILE 76 HD12 ILE 76 0.734 -5.188 -4.700 576 3HD1 ILE 76 HD13 ILE 76 0.642 -6.425 -5.979 577 H GLY 77 H GLY 77 0.274 -2.790 -9.518 578 1HA GLY 77 HA1 GLY 77 -0.494 -3.601 -11.964 579 2HA GLY 77 HA2 GLY 77 -1.022 -4.969 -10.965 580 H GLU 78 H GLU 78 -3.181 -4.684 -10.896 581 HA GLU 78 HA GLU 78 -4.225 -2.244 -9.641 582 1HB GLU 78 HB2 GLU 78 -4.648 -3.023 -12.491 583 2HB GLU 78 HB3 GLU 78 -6.099 -2.615 -11.594 584 1HG GLU 78 HG2 GLU 78 -5.150 -0.474 -10.910 585 2HG GLU 78 HG3 GLU 78 -3.616 -0.877 -11.724 586 H LEU 79 H LEU 79 -6.582 -2.503 -9.226 587 HA LEU 79 HA LEU 79 -6.946 -4.966 -7.695 588 1HB LEU 79 HB2 LEU 79 -7.650 -2.773 -6.855 589 2HB LEU 79 HB3 LEU 79 -8.638 -2.563 -8.307 590 HG LEU 79 HG LEU 79 -9.910 -4.710 -7.513 591 1HD1 LEU 79 HD11 LEU 79 -9.870 -4.561 -4.832 592 2HD1 LEU 79 HD12 LEU 79 -8.856 -5.687 -5.733 593 3HD1 LEU 79 HD13 LEU 79 -8.177 -4.159 -5.135 594 1HD2 LEU 79 HD21 LEU 79 -10.562 -2.530 -5.651 595 2HD2 LEU 79 HD22 LEU 79 -10.449 -2.076 -7.367 596 3HD2 LEU 79 HD23 LEU 79 -11.512 -3.370 -6.899 597 H HIS 80 H HIS 80 -8.086 -6.708 -8.307 598 HA HIS 80 HA HIS 80 -8.807 -7.359 -10.910 599 1HB HIS 80 HB2 HIS 80 -8.621 -8.763 -8.720 600 2HB HIS 80 HB3 HIS 80 -10.347 -8.474 -8.557 601 HD1 HIS 80 HD1 HIS 80 -11.759 -10.209 -9.994 602 HD2 HIS 80 HD2 HIS 80 -7.666 -10.064 -10.911 603 HE1 HIS 80 HE1 HIS 80 -11.349 -12.039 -11.686 604 HA PRO 81 HA PRO 81 -12.499 -5.017 -11.556 605 1HB PRO 81 HB2 PRO 81 -13.570 -6.297 -13.721 606 2HB PRO 81 HB3 PRO 81 -12.134 -5.231 -13.770 607 1HG PRO 81 HG2 PRO 81 -12.182 -8.264 -13.649 608 2HG PRO 81 HG3 PRO 81 -11.184 -7.224 -14.712 609 1HD PRO 81 HD2 PRO 81 -10.269 -8.327 -12.415 610 2HD PRO 81 HD3 PRO 81 -9.702 -6.729 -12.977 611 H ASP 82 H ASP 82 -12.453 -8.349 -10.559 612 HA ASP 82 HA ASP 82 -15.306 -8.755 -10.381 613 1HB ASP 82 HB2 ASP 82 -13.606 -10.581 -10.375 614 2HB ASP 82 HB3 ASP 82 -13.113 -10.051 -8.721 615 H ASP 83 H ASP 83 -12.855 -7.299 -8.296 616 HA ASP 83 HA ASP 83 -14.353 -7.127 -5.861 617 1HB ASP 83 HB2 ASP 83 -11.955 -6.990 -5.889 618 2HB ASP 83 HB3 ASP 83 -12.004 -5.590 -6.972 619 H ARG 84 H ARG 84 -13.962 -4.989 -8.631 620 HA ARG 84 HA ARG 84 -14.867 -2.599 -7.525 621 1HB ARG 84 HB2 ARG 84 -14.040 -3.532 -10.116 622 2HB ARG 84 HB3 ARG 84 -15.604 -2.775 -10.341 623 1HG ARG 84 HG2 ARG 84 -14.163 -1.008 -10.672 624 2HG ARG 84 HG3 ARG 84 -14.698 -0.781 -9.006 625 1HD ARG 84 HD2 ARG 84 -12.267 -0.449 -9.113 626 2HD ARG 84 HD3 ARG 84 -12.662 -1.877 -8.175 627 HE ARG 84 HE ARG 84 -11.616 -3.252 -9.733 628 1HH1 ARG 84 HH11 ARG 84 -9.877 -2.395 -12.669 629 2HH1 ARG 84 HH12 ARG 84 -9.855 -3.446 -11.285 630 1HH2 ARG 84 HH21 ARG 84 -11.149 -0.376 -12.576 631 2HH2 ARG 84 HH22 ARG 84 -12.254 -0.166 -11.248 632 HHA HEM 201 HGM HEM 201 4.499 11.238 4.689 633 HHB HEM 201 HDM HEM 201 5.848 8.013 -0.750 634 HHC HEM 201 HAM HEM 201 1.161 3.808 0.651 635 HHD HEM 201 HBM HEM 201 0.232 6.696 6.345 636 1HMA HEM 201 HM81 HEM 201 6.571 10.366 -0.889 637 2HMA HEM 201 HM82 HEM 201 7.446 11.357 0.283 638 3HMA HEM 201 HM83 HEM 201 7.834 9.641 0.127 639 1HAA HEM 201 HAA1 HEM 201 6.568 12.634 1.820 640 2HAA HEM 201 HAA2 HEM 201 5.183 12.689 2.880 641 1HBA HEM 201 HBA1 HEM 201 8.040 11.994 3.548 642 2HBA HEM 201 HBA2 HEM 201 6.729 11.429 4.599 643 1HMB HEM 201 HM11 HEM 201 4.918 4.843 -2.822 644 2HMB HEM 201 HM12 HEM 201 4.964 6.615 -2.925 645 3HMB HEM 201 HM13 HEM 201 6.147 5.734 -1.929 646 HAB HEM 201 HT2A HEM 201 2.733 2.922 -1.491 647 1HBB HEM 201 HV2C HEM 201 1.115 5.237 -2.504 648 2HBB HEM 201 HV2T HEM 201 1.000 3.416 -2.928 649 1HMC HEM 201 HM31 HEM 201 -1.308 2.632 3.344 650 2HMC HEM 201 HM32 HEM 201 -1.553 3.603 1.893 651 3HMC HEM 201 HM33 HEM 201 -0.175 2.483 1.991 652 HAC HEM 201 HT4A HEM 201 -2.013 5.495 5.453 653 1HBC HEM 201 HV4C HEM 201 -0.809 2.687 5.646 654 2HBC HEM 201 HV4T HEM 201 -2.266 3.362 6.585 655 1HMD HEM 201 HM51 HEM 201 1.466 9.459 8.700 656 2HMD HEM 201 HM52 HEM 201 0.287 8.346 8.009 657 3HMD HEM 201 HM53 HEM 201 1.878 7.760 8.526 658 1HAD HEM 201 HAD1 HEM 201 3.736 10.350 8.150 659 2HAD HEM 201 HAD2 HEM 201 4.157 11.438 6.852 660 1HBD HEM 201 HBD1 HEM 201 2.346 12.753 7.122 661 2HBD HEM 201 HBD2 HEM 201 1.321 11.458 7.734 Start of MODEL 29 1 1H ALA 3 H1 ALA 3 1.640 -4.392 -19.046 2 2H ALA 3 H2 ALA 3 2.822 -4.936 -18.055 3 3H ALA 3 H3 ALA 3 2.952 -5.169 -19.697 4 HA ALA 3 HA ALA 3 1.052 -6.646 -19.630 5 1HB ALA 3 HB1 ALA 3 2.686 -8.192 -19.315 6 2HB ALA 3 HB2 ALA 3 3.588 -7.159 -18.192 7 3HB ALA 3 HB3 ALA 3 2.254 -8.158 -17.599 8 H VAL 4 H VAL 4 -0.984 -6.766 -18.677 9 HA VAL 4 HA VAL 4 -1.271 -5.347 -16.102 10 HB VAL 4 HB VAL 4 -2.586 -4.643 -18.072 11 1HG1 VAL 4 HG11 VAL 4 -4.606 -5.916 -18.707 12 2HG1 VAL 4 HG12 VAL 4 -3.129 -6.787 -19.139 13 3HG1 VAL 4 HG13 VAL 4 -4.079 -7.285 -17.720 14 1HG2 VAL 4 HG21 VAL 4 -4.661 -4.323 -16.850 15 2HG2 VAL 4 HG22 VAL 4 -4.221 -5.594 -15.694 16 3HG2 VAL 4 HG23 VAL 4 -3.266 -4.097 -15.790 17 H LYS 5 H LYS 5 -2.236 -6.289 -14.311 18 HA LYS 5 HA LYS 5 -3.369 -8.914 -14.448 19 1HB LYS 5 HB2 LYS 5 -0.677 -9.067 -14.155 20 2HB LYS 5 HB3 LYS 5 -1.105 -8.818 -12.457 21 1HG LYS 5 HG2 LYS 5 -2.680 -10.763 -12.621 22 2HG LYS 5 HG3 LYS 5 -2.265 -10.935 -14.332 23 1HD LYS 5 HD2 LYS 5 0.247 -10.946 -13.010 24 2HD LYS 5 HD3 LYS 5 -0.821 -11.816 -11.915 25 1HE LYS 5 HE2 LYS 5 0.138 -13.465 -13.305 26 2HE LYS 5 HE3 LYS 5 -1.529 -13.296 -13.868 27 1HZ LYS 5 HZ1 LYS 5 0.258 -13.380 -15.594 28 2HZ LYS 5 HZ2 LYS 5 -0.766 -12.101 -15.742 29 3HZ LYS 5 HZ3 LYS 5 0.740 -11.885 -15.118 30 H TYR 6 H TYR 6 -5.119 -8.699 -13.182 31 HA TYR 6 HA TYR 6 -5.190 -6.477 -11.283 32 1HB TYR 6 HB2 TYR 6 -7.538 -8.205 -11.964 33 2HB TYR 6 HB3 TYR 6 -7.437 -6.524 -11.426 34 HD1 TYR 6 HD1 TYR 6 -7.235 -4.707 -12.995 35 HD2 TYR 6 HD2 TYR 6 -7.133 -8.800 -14.331 36 HE1 TYR 6 HE1 TYR 6 -7.221 -3.933 -15.341 37 HE2 TYR 6 HE2 TYR 6 -7.161 -8.028 -16.689 38 HH TYR 6 HH TYR 6 -7.213 -4.565 -17.559 39 H TYR 7 H TYR 7 -5.690 -6.914 -9.011 40 HA TYR 7 HA TYR 7 -5.648 -9.805 -8.208 41 1HB TYR 7 HB2 TYR 7 -4.403 -7.492 -6.719 42 2HB TYR 7 HB3 TYR 7 -4.374 -9.191 -6.258 43 HD1 TYR 7 HD1 TYR 7 -2.257 -6.756 -7.422 44 HD2 TYR 7 HD2 TYR 7 -3.555 -10.740 -8.451 45 HE1 TYR 7 HE1 TYR 7 -0.166 -7.115 -8.699 46 HE2 TYR 7 HE2 TYR 7 -1.480 -11.089 -9.720 47 HH TYR 7 HH TYR 7 0.581 -10.220 -10.286 48 H THR 8 H THR 8 -7.077 -10.458 -6.732 49 HA THR 8 HA THR 8 -9.427 -8.802 -6.288 50 HB THR 8 HB THR 8 -10.385 -10.739 -5.338 51 HG1 THR 8 HG1 THR 8 -8.330 -12.516 -5.296 52 1HG2 THR 8 HG21 THR 8 -10.508 -12.003 -7.218 53 2HG2 THR 8 HG22 THR 8 -9.464 -10.767 -7.917 54 3HG2 THR 8 HG23 THR 8 -8.757 -12.271 -7.313 55 H LEU 9 H LEU 9 -10.239 -8.170 -4.185 56 HA LEU 9 HA LEU 9 -8.396 -7.070 -2.441 57 1HB LEU 9 HB2 LEU 9 -11.163 -7.192 -2.642 58 2HB LEU 9 HB3 LEU 9 -10.889 -7.998 -1.128 59 HG LEU 9 HG LEU 9 -9.934 -5.231 -1.935 60 1HD1 LEU 9 HD11 LEU 9 -11.738 -4.355 -0.941 61 2HD1 LEU 9 HD12 LEU 9 -12.435 -5.984 -0.961 62 3HD1 LEU 9 HD13 LEU 9 -11.609 -5.399 0.485 63 1HD2 LEU 9 HD21 LEU 9 -9.574 -6.560 0.793 64 2HD2 LEU 9 HD22 LEU 9 -8.259 -6.243 -0.353 65 3HD2 LEU 9 HD23 LEU 9 -9.141 -4.893 0.363 66 H GLU 10 H GLU 10 -9.901 -10.279 -2.399 67 HA GLU 10 HA GLU 10 -8.882 -11.245 0.028 68 1HB GLU 10 HB2 GLU 10 -10.605 -12.325 -1.507 69 2HB GLU 10 HB3 GLU 10 -9.257 -12.941 -2.456 70 1HG GLU 10 HG2 GLU 10 -9.890 -14.653 -0.868 71 2HG GLU 10 HG3 GLU 10 -8.320 -14.010 -0.390 72 H GLU 11 H GLU 11 -7.539 -11.790 -3.278 73 HA GLU 11 HA GLU 11 -5.176 -13.046 -2.477 74 1HB GLU 11 HB2 GLU 11 -6.076 -11.559 -4.905 75 2HB GLU 11 HB3 GLU 11 -4.343 -11.546 -4.640 76 1HG GLU 11 HG2 GLU 11 -4.890 -13.476 -6.001 77 2HG GLU 11 HG3 GLU 11 -4.327 -14.025 -4.419 78 H ILE 12 H ILE 12 -5.758 -9.545 -2.920 79 HA ILE 12 HA ILE 12 -3.164 -8.705 -2.135 80 HB ILE 12 HB ILE 12 -5.841 -7.284 -1.867 81 1HG1 ILE 12 HG12 ILE 12 -3.827 -6.853 -4.101 82 2HG1 ILE 12 HG13 ILE 12 -4.969 -8.164 -4.250 83 1HG2 ILE 12 HG21 ILE 12 -3.950 -6.213 -0.556 84 2HG2 ILE 12 HG22 ILE 12 -3.047 -6.110 -2.077 85 3HG2 ILE 12 HG23 ILE 12 -4.544 -5.205 -1.873 86 1HD1 ILE 12 HD11 ILE 12 -5.800 -5.309 -3.775 87 2HD1 ILE 12 HD12 ILE 12 -5.748 -6.084 -5.355 88 3HD1 ILE 12 HD13 ILE 12 -6.869 -6.668 -4.129 89 H GLN 13 H GLN 13 -6.092 -9.290 -0.172 90 HA GLN 13 HA GLN 13 -5.049 -8.662 2.386 91 1HB GLN 13 HB2 GLN 13 -7.368 -10.212 1.282 92 2HB GLN 13 HB3 GLN 13 -6.861 -10.625 2.891 93 1HG GLN 13 HG2 GLN 13 -7.034 -7.711 2.577 94 2HG GLN 13 HG3 GLN 13 -8.527 -8.491 2.108 95 1HE2 GLN 13 HE21 GLN 13 -9.661 -9.861 3.611 96 2HE2 GLN 13 HE22 GLN 13 -9.362 -9.717 5.337 97 H LYS 14 H LYS 14 -4.652 -11.636 0.425 98 HA LYS 14 HA LYS 14 -3.682 -13.202 2.605 99 1HB LYS 14 HB2 LYS 14 -3.025 -13.369 -0.352 100 2HB LYS 14 HB3 LYS 14 -2.523 -14.529 0.854 101 1HG LYS 14 HG2 LYS 14 -5.431 -14.065 1.018 102 2HG LYS 14 HG3 LYS 14 -4.943 -14.413 -0.636 103 1HD LYS 14 HD2 LYS 14 -3.575 -16.402 0.400 104 2HD LYS 14 HD3 LYS 14 -4.617 -16.146 1.818 105 1HE LYS 14 HE2 LYS 14 -6.619 -16.388 0.225 106 2HE LYS 14 HE3 LYS 14 -5.466 -16.754 -1.069 107 1HZ LYS 14 HZ1 LYS 14 -5.921 -18.336 1.367 108 2HZ LYS 14 HZ2 LYS 14 -6.288 -18.756 -0.180 109 3HZ LYS 14 HZ3 LYS 14 -4.715 -18.640 0.284 110 H HIS 15 H HIS 15 -2.222 -10.407 1.119 111 HA HIS 15 HA HIS 15 0.525 -11.168 2.047 112 1HB HIS 15 HB2 HIS 15 -0.507 -9.200 -0.011 113 2HB HIS 15 HB3 HIS 15 1.173 -9.302 0.511 114 HD1 HIS 15 HD1 HIS 15 2.457 -10.397 -1.401 115 HD2 HIS 15 HD2 HIS 15 -1.357 -12.022 -0.799 116 HE1 HIS 15 HE1 HIS 15 2.171 -12.267 -3.126 117 H ASN 16 H ASN 16 -0.198 -10.637 4.309 118 HA ASN 16 HA ASN 16 0.420 -7.849 4.985 119 1HB ASN 16 HB2 ASN 16 -1.704 -7.442 6.169 120 2HB ASN 16 HB3 ASN 16 -1.906 -7.625 4.427 121 1HD2 ASN 16 HD21 ASN 16 -4.245 -7.874 5.530 122 2HD2 ASN 16 HD22 ASN 16 -4.701 -9.559 5.619 123 H ASN 17 H ASN 17 2.040 -9.773 5.733 124 HA ASN 17 HA ASN 17 1.677 -10.000 8.661 125 1HB ASN 17 HB2 ASN 17 1.780 -12.458 8.651 126 2HB ASN 17 HB3 ASN 17 0.314 -11.870 7.865 127 1HD2 ASN 17 HD21 ASN 17 0.741 -14.370 7.227 128 2HD2 ASN 17 HD22 ASN 17 1.453 -14.523 5.630 129 H SER 18 H SER 18 3.587 -8.574 7.334 130 HA SER 18 HA SER 18 5.798 -8.168 7.466 131 1HB SER 18 HB2 SER 18 5.710 -9.693 9.579 132 2HB SER 18 HB3 SER 18 6.437 -10.934 8.542 133 HG SER 18 HG SER 18 7.494 -8.324 8.939 134 H LYS 19 H LYS 19 5.079 -11.506 6.365 135 HA LYS 19 HA LYS 19 7.189 -11.894 4.650 136 1HB LYS 19 HB2 LYS 19 5.317 -13.470 5.350 137 2HB LYS 19 HB3 LYS 19 4.323 -12.782 4.059 138 1HG LYS 19 HG2 LYS 19 5.592 -13.722 2.359 139 2HG LYS 19 HG3 LYS 19 7.084 -13.664 3.302 140 1HD LYS 19 HD2 LYS 19 6.018 -15.480 4.817 141 2HD LYS 19 HD3 LYS 19 4.842 -15.703 3.504 142 1HE LYS 19 HE2 LYS 19 6.726 -16.184 1.933 143 2HE LYS 19 HE3 LYS 19 7.898 -15.828 3.214 144 1HZ LYS 19 HZ1 LYS 19 7.610 -18.158 2.980 145 2HZ LYS 19 HZ2 LYS 19 7.053 -17.691 4.453 146 3HZ LYS 19 HZ3 LYS 19 5.990 -18.063 3.249 147 H SER 20 H SER 20 4.145 -10.108 3.971 148 HA SER 20 HA SER 20 5.551 -8.481 2.082 149 1HB SER 20 HB2 SER 20 3.648 -8.852 0.366 150 2HB SER 20 HB3 SER 20 5.045 -9.938 0.400 151 HG SER 20 HG SER 20 3.607 -11.459 0.620 152 H THR 21 H THR 21 4.253 -6.598 1.557 153 HA THR 21 HA THR 21 1.887 -6.055 3.278 154 HB THR 21 HB THR 21 4.335 -4.330 2.773 155 HG1 THR 21 HG1 THR 21 3.288 -5.634 5.042 156 1HG2 THR 21 HG21 THR 21 1.677 -3.429 3.279 157 2HG2 THR 21 HG22 THR 21 2.614 -3.192 4.768 158 3HG2 THR 21 HG23 THR 21 3.164 -2.507 3.231 159 H TRP 22 H TRP 22 0.541 -6.397 1.519 160 HA TRP 22 HA TRP 22 0.853 -4.557 -0.826 161 1HB TRP 22 HB2 TRP 22 -0.906 -6.988 -0.338 162 2HB TRP 22 HB3 TRP 22 -0.949 -5.934 -1.754 163 HD1 TRP 22 HD1 TRP 22 2.559 -6.670 -0.720 164 HE1 TRP 22 HE1 TRP 22 3.670 -8.035 -2.415 165 HE3 TRP 22 HE3 TRP 22 -1.579 -7.897 -3.439 166 HZ2 TRP 22 HZ2 TRP 22 2.883 -9.629 -4.790 167 HZ3 TRP 22 HZ3 TRP 22 -1.387 -9.389 -5.393 168 HH2 TRP 22 HH2 TRP 22 0.845 -10.234 -6.110 169 H LEU 23 H LEU 23 -1.498 -3.783 -1.481 170 HA LEU 23 HA LEU 23 -3.564 -3.397 0.343 171 1HB LEU 23 HB2 LEU 23 -3.109 -0.921 0.899 172 2HB LEU 23 HB3 LEU 23 -2.345 -2.150 1.854 173 HG LEU 23 HG LEU 23 -0.251 -1.850 0.295 174 1HD1 LEU 23 HD11 LEU 23 -1.802 0.660 -0.314 175 2HD1 LEU 23 HD12 LEU 23 -0.073 0.448 -0.615 176 3HD1 LEU 23 HD13 LEU 23 -1.239 -0.532 -1.507 177 1HD2 LEU 23 HD21 LEU 23 -0.309 -1.180 2.615 178 2HD2 LEU 23 HD22 LEU 23 0.478 0.054 1.609 179 3HD2 LEU 23 HD23 LEU 23 -1.196 0.301 2.191 180 H ILE 24 H ILE 24 -4.946 -1.476 -0.392 181 HA ILE 24 HA ILE 24 -4.601 -1.079 -3.352 182 HB ILE 24 HB ILE 24 -7.125 -1.296 -1.727 183 1HG1 ILE 24 HG12 ILE 24 -6.522 -3.175 -3.981 184 2HG1 ILE 24 HG13 ILE 24 -5.494 -3.362 -2.588 185 1HG2 ILE 24 HG21 ILE 24 -7.363 0.259 -3.685 186 2HG2 ILE 24 HG22 ILE 24 -6.812 -1.052 -4.748 187 3HG2 ILE 24 HG23 ILE 24 -8.327 -1.214 -3.831 188 1HD1 ILE 24 HD11 ILE 24 -7.476 -3.456 -1.059 189 2HD1 ILE 24 HD12 ILE 24 -8.529 -3.435 -2.481 190 3HD1 ILE 24 HD13 ILE 24 -7.414 -4.793 -2.210 191 H LEU 25 H LEU 25 -3.982 0.916 -3.778 192 HA LEU 25 HA LEU 25 -5.136 3.270 -2.299 193 1HB LEU 25 HB2 LEU 25 -2.403 2.677 -3.367 194 2HB LEU 25 HB3 LEU 25 -2.986 4.333 -3.378 195 HG LEU 25 HG LEU 25 -2.631 4.694 -1.269 196 1HD1 LEU 25 HD11 LEU 25 -4.279 3.411 -0.359 197 2HD1 LEU 25 HD12 LEU 25 -3.478 1.874 -0.738 198 3HD1 LEU 25 HD13 LEU 25 -2.824 2.933 0.507 199 1HD2 LEU 25 HD21 LEU 25 -0.424 4.112 -1.780 200 2HD2 LEU 25 HD22 LEU 25 -0.742 3.132 -0.347 201 3HD2 LEU 25 HD23 LEU 25 -0.775 2.382 -1.931 202 H HIS 26 H HIS 26 -6.937 3.391 -3.576 203 HA HIS 26 HA HIS 26 -8.149 4.228 -5.285 204 1HB HIS 26 HB2 HIS 26 -5.604 5.112 -6.688 205 2HB HIS 26 HB3 HIS 26 -7.245 5.731 -6.880 206 HD1 HIS 26 HD1 HIS 26 -8.080 7.462 -4.985 207 HD2 HIS 26 HD2 HIS 26 -4.210 5.866 -4.536 208 HE1 HIS 26 HE1 HIS 26 -6.909 8.889 -3.277 209 H TYR 27 H TYR 27 -7.972 1.680 -5.333 210 HA TYR 27 HA TYR 27 -8.256 -0.192 -6.556 211 1HB TYR 27 HB2 TYR 27 -8.563 1.695 -8.920 212 2HB TYR 27 HB3 TYR 27 -9.168 0.057 -8.790 213 HD1 TYR 27 HD1 TYR 27 -10.186 0.605 -5.729 214 HD2 TYR 27 HD2 TYR 27 -10.802 2.430 -9.595 215 HE1 TYR 27 HE1 TYR 27 -12.484 1.149 -5.102 216 HE2 TYR 27 HE2 TYR 27 -13.106 3.033 -8.921 217 HH TYR 27 HH TYR 27 -14.579 1.854 -5.929 218 H LYS 28 H LYS 28 -5.503 0.893 -6.273 219 HA LYS 28 HA LYS 28 -4.211 -0.650 -8.458 220 1HB LYS 28 HB2 LYS 28 -3.498 2.076 -7.380 221 2HB LYS 28 HB3 LYS 28 -2.359 1.067 -8.295 222 1HG LYS 28 HG2 LYS 28 -3.825 1.116 -10.250 223 2HG LYS 28 HG3 LYS 28 -5.105 1.895 -9.308 224 1HD LYS 28 HD2 LYS 28 -3.334 3.780 -8.888 225 2HD LYS 28 HD3 LYS 28 -2.482 3.064 -10.260 226 1HE LYS 28 HE2 LYS 28 -3.835 4.275 -11.633 227 2HE LYS 28 HE3 LYS 28 -5.164 3.224 -11.155 228 1HZ LYS 28 HZ1 LYS 28 -5.631 4.707 -9.331 229 2HZ LYS 28 HZ2 LYS 28 -4.393 5.707 -9.784 230 3HZ LYS 28 HZ3 LYS 28 -5.694 5.515 -10.773 231 H VAL 29 H VAL 29 -2.899 -2.141 -7.657 232 HA VAL 29 HA VAL 29 -2.501 -2.298 -4.788 233 HB VAL 29 HB VAL 29 -1.662 -4.319 -6.876 234 1HG1 VAL 29 HG11 VAL 29 -2.546 -4.611 -3.966 235 2HG1 VAL 29 HG12 VAL 29 -1.918 -5.894 -5.022 236 3HG1 VAL 29 HG13 VAL 29 -0.853 -4.591 -4.481 237 1HG2 VAL 29 HG21 VAL 29 -3.985 -3.905 -7.334 238 2HG2 VAL 29 HG22 VAL 29 -3.861 -5.394 -6.413 239 3HG2 VAL 29 HG23 VAL 29 -4.389 -3.904 -5.600 240 H TYR 30 H TYR 30 -0.587 -2.174 -3.755 241 HA TYR 30 HA TYR 30 1.910 -1.601 -5.299 242 1HB TYR 30 HB2 TYR 30 0.854 -0.173 -2.832 243 2HB TYR 30 HB3 TYR 30 2.394 0.129 -3.631 244 HD1 TYR 30 HD1 TYR 30 2.429 1.114 -5.906 245 HD2 TYR 30 HD2 TYR 30 -1.278 0.551 -3.847 246 HE1 TYR 30 HE1 TYR 30 1.277 2.636 -7.532 247 HE2 TYR 30 HE2 TYR 30 -2.380 2.099 -5.439 248 HH TYR 30 HH TYR 30 -0.709 3.477 -8.208 249 H ASP 31 H ASP 31 3.171 -3.340 -4.865 250 HA ASP 31 HA ASP 31 3.095 -4.720 -2.229 251 1HB ASP 31 HB2 ASP 31 3.361 -6.155 -4.202 252 2HB ASP 31 HB3 ASP 31 4.720 -5.153 -4.758 253 H LEU 32 H LEU 32 4.122 -3.456 -0.671 254 HA LEU 32 HA LEU 32 6.730 -2.262 -1.465 255 1HB LEU 32 HB2 LEU 32 5.064 -1.442 0.926 256 2HB LEU 32 HB3 LEU 32 6.551 -0.777 0.293 257 HG LEU 32 HG LEU 32 4.922 -0.695 -1.955 258 1HD1 LEU 32 HD11 LEU 32 3.163 0.061 0.410 259 2HD1 LEU 32 HD12 LEU 32 2.727 -0.065 -1.320 260 3HD1 LEU 32 HD13 LEU 32 3.064 -1.511 -0.384 261 1HD2 LEU 32 HD21 LEU 32 5.163 1.506 0.113 262 2HD2 LEU 32 HD22 LEU 32 6.419 1.068 -1.065 263 3HD2 LEU 32 HD23 LEU 32 4.865 1.674 -1.641 264 H THR 33 H THR 33 5.763 -3.062 1.812 265 HA THR 33 HA THR 33 6.609 -4.304 3.362 266 HB THR 33 HB THR 33 6.204 -6.099 1.365 267 HG1 THR 33 HG1 THR 33 5.624 -6.060 3.673 268 1HG2 THR 33 HG21 THR 33 7.881 -7.851 1.639 269 2HG2 THR 33 HG22 THR 33 8.565 -6.439 0.832 270 3HG2 THR 33 HG23 THR 33 8.925 -6.755 2.552 271 H LYS 34 H LYS 34 9.086 -4.262 0.746 272 HA LYS 34 HA LYS 34 11.248 -4.181 2.682 273 1HB LYS 34 HB2 LYS 34 11.109 -5.095 0.152 274 2HB LYS 34 HB3 LYS 34 11.639 -3.443 -0.213 275 1HG LYS 34 HG2 LYS 34 13.547 -3.745 1.358 276 2HG LYS 34 HG3 LYS 34 12.967 -5.378 1.748 277 1HD LYS 34 HD2 LYS 34 13.325 -6.196 -0.452 278 2HD LYS 34 HD3 LYS 34 13.641 -4.591 -1.117 279 1HE LYS 34 HE2 LYS 34 15.368 -5.680 1.147 280 2HE LYS 34 HE3 LYS 34 15.654 -6.230 -0.508 281 1HZ LYS 34 HZ1 LYS 34 17.007 -4.328 0.078 282 2HZ LYS 34 HZ2 LYS 34 16.008 -3.981 -1.179 283 3HZ LYS 34 HZ3 LYS 34 15.672 -3.398 0.322 284 H PHE 35 H PHE 35 9.000 -1.941 1.660 285 HA PHE 35 HA PHE 35 10.781 0.399 2.058 286 1HB PHE 35 HB2 PHE 35 9.172 -0.034 -0.009 287 2HB PHE 35 HB3 PHE 35 7.950 0.473 1.127 288 HD1 PHE 35 HD1 PHE 35 7.282 2.727 0.831 289 HD2 PHE 35 HD2 PHE 35 11.416 1.654 0.154 290 HE1 PHE 35 HE1 PHE 35 7.780 5.048 0.136 291 HE2 PHE 35 HE2 PHE 35 11.910 3.982 -0.477 292 HZ PHE 35 HZ PHE 35 10.094 5.685 -0.525 293 H LEU 36 H LEU 36 8.937 -1.668 3.993 294 HA LEU 36 HA LEU 36 7.186 0.121 5.277 295 1HB LEU 36 HB2 LEU 36 8.745 -2.287 6.337 296 2HB LEU 36 HB3 LEU 36 7.453 -1.494 7.241 297 HG LEU 36 HG LEU 36 6.976 -2.561 4.484 298 1HD1 LEU 36 HD11 LEU 36 7.721 -4.500 5.813 299 2HD1 LEU 36 HD12 LEU 36 6.805 -3.938 7.221 300 3HD1 LEU 36 HD13 LEU 36 5.958 -4.564 5.805 301 1HD2 LEU 36 HD21 LEU 36 4.925 -2.267 6.657 302 2HD2 LEU 36 HD22 LEU 36 5.395 -0.907 5.615 303 3HD2 LEU 36 HD23 LEU 36 4.764 -2.375 4.887 304 H GLU 37 H GLU 37 10.473 -0.814 6.387 305 HA GLU 37 HA GLU 37 10.517 1.127 8.443 306 1HB GLU 37 HB2 GLU 37 12.136 -0.989 7.803 307 2HB GLU 37 HB3 GLU 37 13.124 0.342 7.190 308 1HG GLU 37 HG2 GLU 37 12.441 1.346 9.644 309 2HG GLU 37 HG3 GLU 37 12.325 -0.384 9.987 310 H GLU 38 H GLU 38 11.432 1.250 5.020 311 HA GLU 38 HA GLU 38 12.826 3.736 5.011 312 1HB GLU 38 HB2 GLU 38 11.233 2.335 2.853 313 2HB GLU 38 HB3 GLU 38 12.281 3.694 2.576 314 1HG GLU 38 HG2 GLU 38 13.895 1.827 4.006 315 2HG GLU 38 HG3 GLU 38 13.019 0.882 2.795 316 H HIS 39 HN HIS 39 9.413 2.870 4.493 317 HA HIS 39 HA HIS 39 8.403 5.251 3.508 318 1HB HIS 39 HB2 HIS 39 7.064 3.310 3.498 319 2HB HIS 39 HB3 HIS 39 7.102 3.186 5.264 320 HD1 HIS 39 HND HIS 39 4.989 4.108 6.387 321 HD2 HIS 39 HD HIS 39 5.804 5.772 2.602 322 HE1 HIS 39 HE HIS 39 3.019 5.542 5.808 323 HA PRO 40 HA PRO 40 9.225 7.520 7.367 324 1HB PRO 40 HB2 PRO 40 9.060 10.092 6.326 325 2HB PRO 40 HB3 PRO 40 10.473 9.019 6.238 326 1HG PRO 40 HG2 PRO 40 8.607 9.723 4.029 327 2HG PRO 40 HG3 PRO 40 10.295 9.178 3.975 328 1HD PRO 40 HD2 PRO 40 7.897 7.638 3.585 329 2HD PRO 40 HD3 PRO 40 9.591 7.076 3.585 330 H GLY 41 H GLY 41 6.983 6.342 7.647 331 1HA GLY 41 HA1 GLY 41 5.139 8.246 8.749 332 2HA GLY 41 HA2 GLY 41 4.576 7.655 7.160 333 H GLY 42 H GLY 42 6.252 6.141 9.924 334 1HA GLY 42 HA1 GLY 42 5.667 4.432 11.325 335 2HA GLY 42 HA2 GLY 42 3.980 4.730 10.899 336 H GLU 43 H GLU 43 6.761 2.678 10.397 337 HA GLU 43 HA GLU 43 5.995 1.204 8.137 338 1HB GLU 43 HB2 GLU 43 7.321 -0.593 9.143 339 2HB GLU 43 HB3 GLU 43 8.128 0.962 9.337 340 1HG GLU 43 HG2 GLU 43 7.215 0.982 11.741 341 2HG GLU 43 HG3 GLU 43 6.678 -0.694 11.442 342 H ALA 44 H ALA 44 5.077 0.790 11.546 343 HA ALA 44 HA ALA 44 3.322 -1.366 11.265 344 1HB ALA 44 HB1 ALA 44 4.186 -0.490 13.434 345 2HB ALA 44 HB2 ALA 44 3.072 0.893 13.289 346 3HB ALA 44 HB3 ALA 44 2.431 -0.757 13.430 347 H VAL 45 H VAL 45 2.711 2.102 10.692 348 HA VAL 45 HA VAL 45 -0.173 1.898 10.476 349 HB VAL 45 HB VAL 45 1.922 3.913 9.619 350 1HG1 VAL 45 HG11 VAL 45 0.337 4.128 7.876 351 2HG1 VAL 45 HG12 VAL 45 -1.033 4.084 9.028 352 3HG1 VAL 45 HG13 VAL 45 0.095 5.457 9.007 353 1HG2 VAL 45 HG21 VAL 45 0.804 3.490 12.066 354 2HG2 VAL 45 HG22 VAL 45 1.349 5.069 11.473 355 3HG2 VAL 45 HG23 VAL 45 -0.366 4.625 11.371 356 H LEU 46 H LEU 46 2.513 1.989 8.071 357 HA LEU 46 HA LEU 46 0.886 1.368 5.844 358 1HB LEU 46 HB2 LEU 46 3.723 1.586 6.349 359 2HB LEU 46 HB3 LEU 46 3.415 0.111 5.434 360 HG LEU 46 HG LEU 46 2.553 2.911 4.627 361 1HD1 LEU 46 HD11 LEU 46 4.461 1.045 3.164 362 2HD1 LEU 46 HD12 LEU 46 4.246 2.796 2.973 363 3HD1 LEU 46 HD13 LEU 46 5.032 2.134 4.428 364 1HD2 LEU 46 HD21 LEU 46 2.087 0.189 3.348 365 2HD2 LEU 46 HD22 LEU 46 0.881 1.451 3.683 366 3HD2 LEU 46 HD23 LEU 46 2.070 1.693 2.404 367 H ARG 47 H ARG 47 2.205 -0.747 8.336 368 HA ARG 47 HA ARG 47 1.575 -3.156 6.882 369 1HB ARG 47 HB2 ARG 47 3.413 -2.705 8.646 370 2HB ARG 47 HB3 ARG 47 2.173 -3.094 9.840 371 1HG ARG 47 HG2 ARG 47 2.665 -4.948 7.466 372 2HG ARG 47 HG3 ARG 47 3.842 -4.913 8.767 373 1HD ARG 47 HD2 ARG 47 0.879 -5.398 9.248 374 2HD ARG 47 HD3 ARG 47 2.052 -6.693 8.956 375 HE ARG 47 HE ARG 47 3.246 -5.241 10.944 376 1HH1 ARG 47 HH11 ARG 47 1.707 -6.569 13.808 377 2HH1 ARG 47 HH12 ARG 47 3.105 -5.765 13.176 378 1HH2 ARG 47 HH21 ARG 47 -0.073 -7.159 12.329 379 2HH2 ARG 47 HH22 ARG 47 0.090 -6.784 10.643 380 H ALA 48 H ALA 48 -0.012 -1.318 9.480 381 HA ALA 48 HA ALA 48 -2.082 -3.220 10.097 382 1HB ALA 48 HB1 ALA 48 -1.503 -0.324 10.631 383 2HB ALA 48 HB2 ALA 48 -3.195 -0.838 10.757 384 3HB ALA 48 HB3 ALA 48 -1.957 -1.630 11.749 385 H GLN 49 H GLN 49 -1.828 -0.473 7.817 386 HA GLN 49 HA GLN 49 -4.487 -1.005 6.714 387 1HB GLN 49 HB2 GLN 49 -2.161 0.835 6.235 388 2HB GLN 49 HB3 GLN 49 -3.289 0.643 4.931 389 1HG GLN 49 HG2 GLN 49 -4.035 1.562 7.739 390 2HG GLN 49 HG3 GLN 49 -3.943 2.570 6.281 391 1HE2 GLN 49 HE21 GLN 49 -6.314 2.582 7.746 392 2HE2 GLN 49 HE22 GLN 49 -7.527 1.744 6.779 393 H ALA 50 H ALA 50 -1.471 -2.547 6.365 394 HA ALA 50 HA ALA 50 -1.585 -3.122 3.614 395 1HB ALA 50 HB1 ALA 50 -0.047 -4.904 3.998 396 2HB ALA 50 HB2 ALA 50 0.370 -3.587 5.113 397 3HB ALA 50 HB3 ALA 50 -0.485 -5.033 5.703 398 H GLY 51 H GLY 51 -2.295 -5.018 2.529 399 1HA GLY 51 HA1 GLY 51 -3.916 -6.494 1.895 400 2HA GLY 51 HA2 GLY 51 -3.859 -7.129 3.547 401 H GLY 52 H GLY 52 -4.978 -4.084 1.917 402 1HA GLY 52 HA1 GLY 52 -7.718 -4.550 2.388 403 2HA GLY 52 HA2 GLY 52 -7.078 -3.568 3.725 404 H ASP 53 H ASP 53 -8.925 -2.276 2.382 405 HA ASP 53 HA ASP 53 -7.845 -0.608 0.253 406 1HB ASP 53 HB2 ASP 53 -9.938 0.636 0.622 407 2HB ASP 53 HB3 ASP 53 -10.233 -1.082 0.308 408 H ALA 54 H ALA 54 -6.235 0.723 0.799 409 HA ALA 54 HA ALA 54 -6.379 2.142 3.459 410 1HB ALA 54 HB1 ALA 54 -4.455 0.597 3.187 411 2HB ALA 54 HB2 ALA 54 -3.925 1.526 1.789 412 3HB ALA 54 HB3 ALA 54 -3.997 2.330 3.379 413 H THR 55 H THR 55 -7.419 2.587 0.501 414 HA THR 55 HA THR 55 -5.999 4.821 -0.520 415 HB THR 55 HB THR 55 -8.971 4.196 -0.829 416 HG1 THR 55 HG1 THR 55 -7.061 2.525 -1.373 417 1HG2 THR 55 HG21 THR 55 -6.871 5.486 -2.599 418 2HG2 THR 55 HG22 THR 55 -8.565 5.205 -3.077 419 3HG2 THR 55 HG23 THR 55 -8.180 6.373 -1.792 420 H ALA 56 H ALA 56 -8.873 4.616 1.593 421 HA ALA 56 HA ALA 56 -9.238 7.401 2.014 422 1HB ALA 56 HB1 ALA 56 -10.476 6.678 4.047 423 2HB ALA 56 HB2 ALA 56 -10.958 5.775 2.598 424 3HB ALA 56 HB3 ALA 56 -9.891 5.018 3.805 425 H ASN 57 H ASN 57 -7.134 5.009 3.643 426 HA ASN 57 HA ASN 57 -6.408 6.767 5.791 427 1HB ASN 57 HB2 ASN 57 -6.133 4.090 5.372 428 2HB ASN 57 HB3 ASN 57 -4.498 4.607 4.972 429 1HD2 ASN 57 HD21 ASN 57 -7.073 4.818 7.478 430 2HD2 ASN 57 HD22 ASN 57 -5.961 5.003 8.827 431 H PHE 58 H PHE 58 -4.767 5.769 2.790 432 HA PHE 58 HA PHE 58 -2.451 7.313 2.869 433 1HB PHE 58 HB2 PHE 58 -2.941 5.580 1.221 434 2HB PHE 58 HB3 PHE 58 -4.238 6.532 0.530 435 HD1 PHE 58 HD1 PHE 58 -3.770 8.478 -0.932 436 HD2 PHE 58 HD2 PHE 58 -0.595 6.123 0.755 437 HE1 PHE 58 HE1 PHE 58 -2.189 9.466 -2.525 438 HE2 PHE 58 HE2 PHE 58 0.974 7.002 -0.964 439 HZ PHE 58 HZ PHE 58 0.178 8.650 -2.631 440 H GLU 59 H GLU 59 -5.650 8.203 1.472 441 HA GLU 59 HA GLU 59 -4.965 10.884 0.796 442 1HB GLU 59 HB2 GLU 59 -7.589 9.479 1.350 443 2HB GLU 59 HB3 GLU 59 -7.493 11.135 0.731 444 1HG GLU 59 HG2 GLU 59 -5.933 8.999 -0.730 445 2HG GLU 59 HG3 GLU 59 -7.682 9.022 -0.897 446 H ALA 60 H ALA 60 -6.718 9.557 3.636 447 HA ALA 60 HA ALA 60 -7.322 11.960 4.944 448 1HB ALA 60 HB1 ALA 60 -7.424 10.542 7.006 449 2HB ALA 60 HB2 ALA 60 -8.292 9.832 5.633 450 3HB ALA 60 HB3 ALA 60 -6.696 9.203 6.096 451 H VAL 61 H VAL 61 -4.397 9.927 5.145 452 HA VAL 61 HA VAL 61 -2.969 11.595 7.010 453 HB VAL 61 HB VAL 61 -2.100 9.580 4.910 454 1HG1 VAL 61 HG11 VAL 61 -0.407 11.498 6.188 455 2HG1 VAL 61 HG12 VAL 61 -0.210 10.010 7.067 456 3HG1 VAL 61 HG13 VAL 61 0.061 10.040 5.308 457 1HG2 VAL 61 HG21 VAL 61 -2.111 9.252 7.943 458 2HG2 VAL 61 HG22 VAL 61 -3.495 8.801 6.964 459 3HG2 VAL 61 HG23 VAL 61 -1.943 8.004 6.688 460 H GLY 62 H GLY 62 -2.792 11.272 3.411 461 1HA GLY 62 HA1 GLY 62 -2.825 13.225 2.008 462 2HA GLY 62 HA2 GLY 62 -1.923 14.144 3.219 463 H HIS 63 HN HIS 63 -1.404 13.240 0.301 464 HA HIS 63 HA HIS 63 1.441 12.518 0.605 465 1HB HIS 63 HB2 HIS 63 -0.702 10.795 -0.668 466 2HB HIS 63 HB3 HIS 63 0.983 10.659 -1.136 467 HD1 HIS 63 HND HIS 63 -1.351 9.738 1.724 468 HD2 HIS 63 HD HIS 63 2.696 9.497 0.605 469 HE1 HIS 63 HE HIS 63 -0.273 8.061 3.280 470 H SER 64 H SER 64 2.331 14.133 -0.617 471 HA SER 64 HA SER 64 0.992 15.525 -2.659 472 1HB SER 64 HB2 SER 64 4.000 15.302 -2.243 473 2HB SER 64 HB3 SER 64 3.094 16.675 -2.917 474 HG SER 64 HG SER 64 3.584 17.018 -0.709 475 H THR 65 H THR 65 2.055 15.851 -4.904 476 HA THR 65 HA THR 65 1.528 13.806 -6.563 477 HB THR 65 HB THR 65 3.712 15.846 -7.143 478 HG1 THR 65 HG1 THR 65 1.950 17.288 -7.498 479 1HG2 THR 65 HG21 THR 65 1.398 14.751 -8.812 480 2HG2 THR 65 HG22 THR 65 2.619 15.922 -9.355 481 3HG2 THR 65 HG23 THR 65 3.099 14.264 -8.961 482 H ASP 66 H ASP 66 4.715 14.659 -5.190 483 HA ASP 66 HA ASP 66 6.328 12.810 -6.497 484 1HB ASP 66 HB2 ASP 66 6.664 14.657 -4.413 485 2HB ASP 66 HB3 ASP 66 6.822 13.134 -3.538 486 H ALA 67 H ALA 67 4.315 12.316 -3.594 487 HA ALA 67 HA ALA 67 5.267 9.559 -3.157 488 1HB ALA 67 HB1 ALA 67 3.227 9.447 -1.681 489 2HB ALA 67 HB2 ALA 67 4.354 10.761 -1.266 490 3HB ALA 67 HB3 ALA 67 2.857 11.122 -2.138 491 H ARG 68 H ARG 68 2.434 11.257 -4.741 492 HA ARG 68 HA ARG 68 0.847 9.010 -5.420 493 1HB ARG 68 HB2 ARG 68 1.245 11.579 -7.009 494 2HB ARG 68 HB3 ARG 68 -0.036 10.432 -7.264 495 1HG ARG 68 HG2 ARG 68 0.299 11.811 -4.570 496 2HG ARG 68 HG3 ARG 68 -0.540 12.594 -5.907 497 1HD ARG 68 HD2 ARG 68 -1.243 9.879 -4.787 498 2HD ARG 68 HD3 ARG 68 -2.026 11.404 -4.309 499 HE ARG 68 HE ARG 68 -2.367 11.534 -6.966 500 1HH1 ARG 68 HH11 ARG 68 -5.058 9.321 -7.537 501 2HH1 ARG 68 HH12 ARG 68 -4.184 10.689 -8.150 502 1HH2 ARG 68 HH21 ARG 68 -4.473 8.420 -5.392 503 2HH2 ARG 68 HH22 ARG 68 -3.064 9.000 -4.627 504 H GLU 69 H GLU 69 3.634 10.446 -7.072 505 HA GLU 69 HA GLU 69 3.517 8.708 -9.425 506 1HB GLU 69 HB2 GLU 69 5.090 11.002 -8.397 507 2HB GLU 69 HB3 GLU 69 5.965 9.944 -9.480 508 1HG GLU 69 HG2 GLU 69 3.177 10.883 -10.253 509 2HG GLU 69 HG3 GLU 69 4.561 11.967 -10.433 510 H LEU 70 H LEU 70 5.371 8.988 -6.409 511 HA LEU 70 HA LEU 70 7.234 6.955 -6.891 512 1HB LEU 70 HB2 LEU 70 7.223 8.659 -5.080 513 2HB LEU 70 HB3 LEU 70 5.909 7.771 -4.320 514 HG LEU 70 HG LEU 70 7.392 6.710 -3.220 515 1HD1 LEU 70 HD11 LEU 70 8.410 5.365 -5.645 516 2HD1 LEU 70 HD12 LEU 70 8.899 5.033 -3.968 517 3HD1 LEU 70 HD13 LEU 70 7.202 4.851 -4.407 518 1HD2 LEU 70 HD21 LEU 70 8.840 8.553 -3.372 519 2HD2 LEU 70 HD22 LEU 70 9.756 7.046 -3.242 520 3HD2 LEU 70 HD23 LEU 70 9.621 7.864 -4.829 521 H SER 71 H SER 71 3.969 6.750 -5.276 522 HA SER 71 HA SER 71 3.928 4.004 -4.885 523 1HB SER 71 HB2 SER 71 1.476 5.487 -5.947 524 2HB SER 71 HB3 SER 71 1.548 4.136 -4.804 525 HG SER 71 HG SER 71 2.785 5.779 -3.460 526 H LYS 72 H LYS 72 3.214 5.804 -7.967 527 HA LYS 72 HA LYS 72 2.460 3.544 -9.482 528 1HB LYS 72 HB2 LYS 72 3.899 6.047 -10.434 529 2HB LYS 72 HB3 LYS 72 3.239 4.819 -11.460 530 1HG LYS 72 HG2 LYS 72 1.251 5.631 -9.442 531 2HG LYS 72 HG3 LYS 72 1.916 7.049 -10.224 532 1HD LYS 72 HD2 LYS 72 1.238 4.890 -12.163 533 2HD LYS 72 HD3 LYS 72 -0.138 5.393 -11.183 534 1HE LYS 72 HE2 LYS 72 0.184 7.737 -11.793 535 2HE LYS 72 HE3 LYS 72 1.689 7.366 -12.651 536 1HZ LYS 72 HZ1 LYS 72 -0.239 7.631 -14.096 537 2HZ LYS 72 HZ2 LYS 72 0.465 6.156 -14.258 538 3HZ LYS 72 HZ3 LYS 72 -0.950 6.305 -13.429 539 H THR 73 H THR 73 5.728 4.747 -8.678 540 HA THR 73 HA THR 73 7.180 2.830 -10.257 541 HB THR 73 HB THR 73 7.840 4.758 -8.052 542 HG1 THR 73 HG1 THR 73 9.204 5.472 -9.639 543 1HG2 THR 73 HG21 THR 73 9.761 2.566 -8.887 544 2HG2 THR 73 HG22 THR 73 10.181 4.047 -7.999 545 3HG2 THR 73 HG23 THR 73 9.117 2.854 -7.253 546 H PHE 74 H PHE 74 5.462 2.518 -7.289 547 HA PHE 74 HA PHE 74 6.616 -0.189 -6.723 548 1HB PHE 74 HB2 PHE 74 5.026 1.808 -5.096 549 2HB PHE 74 HB3 PHE 74 4.990 0.107 -4.687 550 HD1 PHE 74 HD1 PHE 74 6.722 -0.954 -3.504 551 HD2 PHE 74 HD2 PHE 74 7.461 2.829 -5.382 552 HE1 PHE 74 HE1 PHE 74 8.820 -0.743 -2.219 553 HE2 PHE 74 HE2 PHE 74 9.596 3.020 -4.143 554 HZ PHE 74 HZ PHE 74 10.219 1.310 -2.445 555 H ILE 75 H ILE 75 4.215 1.085 -8.694 556 HA ILE 75 HA ILE 75 1.970 -0.457 -7.857 557 HB ILE 75 HB ILE 75 2.220 1.468 -9.596 558 1HG1 ILE 75 HG12 ILE 75 0.173 -0.735 -9.538 559 2HG1 ILE 75 HG13 ILE 75 0.201 0.826 -8.697 560 1HG2 ILE 75 HG21 ILE 75 2.063 -0.896 -11.485 561 2HG2 ILE 75 HG22 ILE 75 2.104 0.834 -11.904 562 3HG2 ILE 75 HG23 ILE 75 3.542 0.069 -11.240 563 1HD1 ILE 75 HD11 ILE 75 -0.155 0.411 -11.658 564 2HD1 ILE 75 HD12 ILE 75 -1.332 1.023 -10.487 565 3HD1 ILE 75 HD13 ILE 75 0.117 1.995 -10.867 566 H ILE 76 H ILE 76 1.483 -2.613 -8.069 567 HA ILE 76 HA ILE 76 3.365 -4.302 -9.714 568 HB ILE 76 HB ILE 76 2.348 -6.172 -8.332 569 1HG1 ILE 76 HG12 ILE 76 1.666 -3.913 -6.398 570 2HG1 ILE 76 HG13 ILE 76 0.469 -4.683 -7.438 571 1HG2 ILE 76 HG21 ILE 76 4.052 -4.145 -6.833 572 2HG2 ILE 76 HG22 ILE 76 4.053 -5.926 -6.685 573 3HG2 ILE 76 HG23 ILE 76 4.664 -5.168 -8.144 574 1HD1 ILE 76 HD11 ILE 76 1.205 -5.500 -4.895 575 2HD1 ILE 76 HD12 ILE 76 0.292 -6.457 -6.080 576 3HD1 ILE 76 HD13 ILE 76 2.042 -6.663 -5.943 577 H GLY 77 H GLY 77 0.154 -3.046 -9.695 578 1HA GLY 77 HA1 GLY 77 -0.554 -4.034 -12.167 579 2HA GLY 77 HA2 GLY 77 -1.096 -5.270 -10.998 580 H GLU 78 H GLU 78 -3.315 -4.855 -11.008 581 HA GLU 78 HA GLU 78 -4.119 -2.249 -9.898 582 1HB GLU 78 HB2 GLU 78 -4.175 -2.344 -12.499 583 2HB GLU 78 HB3 GLU 78 -5.647 -3.286 -12.297 584 1HG GLU 78 HG2 GLU 78 -6.705 -1.425 -11.177 585 2HG GLU 78 HG3 GLU 78 -5.162 -0.580 -10.966 586 H LEU 79 H LEU 79 -6.475 -2.262 -9.384 587 HA LEU 79 HA LEU 79 -6.980 -4.625 -7.705 588 1HB LEU 79 HB2 LEU 79 -7.441 -2.399 -6.833 589 2HB LEU 79 HB3 LEU 79 -8.468 -2.062 -8.244 590 HG LEU 79 HG LEU 79 -9.956 -3.997 -7.453 591 1HD1 LEU 79 HD11 LEU 79 -9.614 -5.031 -5.445 592 2HD1 LEU 79 HD12 LEU 79 -7.941 -4.509 -5.632 593 3HD1 LEU 79 HD13 LEU 79 -9.060 -3.544 -4.667 594 1HD2 LEU 79 HD21 LEU 79 -10.368 -1.498 -7.316 595 2HD2 LEU 79 HD22 LEU 79 -11.314 -2.534 -6.278 596 3HD2 LEU 79 HD23 LEU 79 -9.941 -1.646 -5.593 597 H HIS 80 H HIS 80 -8.414 -6.237 -8.131 598 HA HIS 80 HA HIS 80 -9.352 -6.906 -10.666 599 1HB HIS 80 HB2 HIS 80 -9.209 -8.222 -8.452 600 2HB HIS 80 HB3 HIS 80 -10.868 -7.705 -8.178 601 HD1 HIS 80 HD1 HIS 80 -12.592 -9.285 -9.464 602 HD2 HIS 80 HD2 HIS 80 -8.587 -9.692 -10.650 603 HE1 HIS 80 HE1 HIS 80 -12.536 -11.185 -11.143 604 HA PRO 81 HA PRO 81 -12.732 -4.193 -11.336 605 1HB PRO 81 HB2 PRO 81 -14.185 -5.602 -13.225 606 2HB PRO 81 HB3 PRO 81 -12.742 -4.598 -13.530 607 1HG PRO 81 HG2 PRO 81 -12.900 -7.590 -13.274 608 2HG PRO 81 HG3 PRO 81 -11.862 -6.611 -14.354 609 1HD PRO 81 HD2 PRO 81 -11.036 -7.787 -12.031 610 2HD PRO 81 HD3 PRO 81 -10.265 -6.328 -12.711 611 H ASP 82 H ASP 82 -13.071 -7.460 -10.130 612 HA ASP 82 HA ASP 82 -15.929 -7.376 -9.667 613 1HB ASP 82 HB2 ASP 82 -14.483 -9.457 -9.895 614 2HB ASP 82 HB3 ASP 82 -13.951 -9.142 -8.200 615 H ASP 83 H ASP 83 -13.135 -6.103 -7.986 616 HA ASP 83 HA ASP 83 -14.424 -5.935 -5.357 617 1HB ASP 83 HB2 ASP 83 -11.987 -6.361 -5.651 618 2HB ASP 83 HB3 ASP 83 -11.859 -4.760 -6.422 619 H ARG 84 H ARG 84 -14.600 -4.133 -8.221 620 HA ARG 84 HA ARG 84 -14.438 -1.436 -7.251 621 1HB ARG 84 HB2 ARG 84 -15.912 -2.531 -9.656 622 2HB ARG 84 HB3 ARG 84 -15.444 -0.848 -9.432 623 1HG ARG 84 HG2 ARG 84 -13.364 -3.066 -9.486 624 2HG ARG 84 HG3 ARG 84 -14.070 -2.436 -10.983 625 1HD ARG 84 HD2 ARG 84 -13.192 -0.321 -10.686 626 2HD ARG 84 HD3 ARG 84 -12.829 -0.566 -8.962 627 HE ARG 84 HE ARG 84 -11.270 -2.469 -9.897 628 1HH1 ARG 84 HH11 ARG 84 -8.602 -1.023 -11.690 629 2HH1 ARG 84 HH12 ARG 84 -9.155 -2.426 -10.825 630 1HH2 ARG 84 HH21 ARG 84 -10.012 0.860 -11.870 631 2HH2 ARG 84 HH22 ARG 84 -11.607 0.806 -11.172 632 HHA HEM 201 HGM HEM 201 4.612 10.867 5.098 633 HHB HEM 201 HDM HEM 201 5.815 7.771 -0.443 634 HHC HEM 201 HAM HEM 201 0.959 3.785 0.770 635 HHD HEM 201 HBM HEM 201 0.063 6.534 6.550 636 1HMA HEM 201 HM81 HEM 201 7.697 9.158 0.228 637 2HMA HEM 201 HM82 HEM 201 6.555 10.328 -0.463 638 3HMA HEM 201 HM83 HEM 201 7.727 10.835 0.762 639 1HAA HEM 201 HAA1 HEM 201 6.994 12.106 2.343 640 2HAA HEM 201 HAA2 HEM 201 5.425 12.382 3.050 641 1HBA HEM 201 HBA1 HEM 201 8.035 11.984 4.322 642 2HBA HEM 201 HBA2 HEM 201 6.894 10.791 4.928 643 1HMB HEM 201 HM11 HEM 201 4.957 6.546 -2.582 644 2HMB HEM 201 HM12 HEM 201 6.038 5.421 -1.737 645 3HMB HEM 201 HM13 HEM 201 4.674 4.787 -2.667 646 HAB HEM 201 HT2A HEM 201 2.114 3.881 -2.325 647 1HBB HEM 201 HV2C HEM 201 2.722 2.281 0.124 648 2HBB HEM 201 HV2T HEM 201 1.656 1.851 -1.349 649 1HMC HEM 201 HM31 HEM 201 -0.607 2.597 1.919 650 2HMC HEM 201 HM32 HEM 201 -1.493 2.560 3.449 651 3HMC HEM 201 HM33 HEM 201 -1.966 3.724 2.216 652 HAC HEM 201 HT4A HEM 201 -2.143 5.432 5.718 653 1HBC HEM 201 HV4C HEM 201 -0.853 2.662 5.758 654 2HBC HEM 201 HV4T HEM 201 -1.972 3.401 7.049 655 1HMD HEM 201 HM51 HEM 201 1.325 9.202 8.967 656 2HMD HEM 201 HM52 HEM 201 0.252 7.982 8.288 657 3HMD HEM 201 HM53 HEM 201 1.865 7.524 8.865 658 1HAD HEM 201 HAD1 HEM 201 3.743 9.916 8.512 659 2HAD HEM 201 HAD2 HEM 201 4.300 10.987 7.257 660 1HBD HEM 201 HBD1 HEM 201 2.692 12.513 7.660 661 2HBD HEM 201 HBD2 HEM 201 1.456 11.306 8.007 Start of MODEL 30 1 1H ALA 3 H1 ALA 3 -3.279 -6.851 -19.870 2 2H ALA 3 H2 ALA 3 -3.296 -5.568 -20.874 3 3H ALA 3 H3 ALA 3 -2.759 -7.037 -21.455 4 HA ALA 3 HA ALA 3 -1.112 -5.169 -20.574 5 1HB ALA 3 HB1 ALA 3 0.552 -6.864 -20.199 6 2HB ALA 3 HB2 ALA 3 -0.668 -8.086 -19.789 7 3HB ALA 3 HB3 ALA 3 -0.509 -7.506 -21.463 8 H VAL 4 H VAL 4 0.291 -5.406 -18.327 9 HA VAL 4 HA VAL 4 0.410 -5.490 -16.047 10 HB VAL 4 HB VAL 4 -1.091 -4.239 -14.785 11 1HG1 VAL 4 HG11 VAL 4 0.357 -3.028 -16.394 12 2HG1 VAL 4 HG12 VAL 4 -0.986 -2.980 -17.555 13 3HG1 VAL 4 HG13 VAL 4 -1.130 -2.143 -16.002 14 1HG2 VAL 4 HG21 VAL 4 -3.141 -4.032 -17.010 15 2HG2 VAL 4 HG22 VAL 4 -3.294 -5.182 -15.657 16 3HG2 VAL 4 HG23 VAL 4 -3.232 -3.441 -15.356 17 H LYS 5 H LYS 5 -1.094 -6.142 -14.011 18 HA LYS 5 HA LYS 5 -2.660 -8.528 -14.649 19 1HB LYS 5 HB2 LYS 5 -0.255 -9.328 -14.154 20 2HB LYS 5 HB3 LYS 5 -0.504 -8.696 -12.519 21 1HG LYS 5 HG2 LYS 5 -2.636 -10.200 -12.499 22 2HG LYS 5 HG3 LYS 5 -1.972 -10.963 -13.952 23 1HD LYS 5 HD2 LYS 5 -0.095 -11.842 -12.693 24 2HD LYS 5 HD3 LYS 5 -0.332 -10.654 -11.420 25 1HE LYS 5 HE2 LYS 5 -1.128 -12.616 -10.415 26 2HE LYS 5 HE3 LYS 5 -2.584 -11.741 -10.877 27 1HZ LYS 5 HZ1 LYS 5 -1.383 -14.076 -12.197 28 2HZ LYS 5 HZ2 LYS 5 -2.857 -13.960 -11.481 29 3HZ LYS 5 HZ3 LYS 5 -2.578 -13.187 -12.905 30 H TYR 6 H TYR 6 -4.259 -8.886 -13.027 31 HA TYR 6 HA TYR 6 -4.557 -6.661 -11.120 32 1HB TYR 6 HB2 TYR 6 -6.659 -8.501 -12.245 33 2HB TYR 6 HB3 TYR 6 -6.865 -7.074 -11.228 34 HD1 TYR 6 HD1 TYR 6 -5.901 -8.250 -14.635 35 HD2 TYR 6 HD2 TYR 6 -7.002 -4.882 -12.198 36 HE1 TYR 6 HE1 TYR 6 -6.032 -6.827 -16.661 37 HE2 TYR 6 HE2 TYR 6 -7.108 -3.447 -14.219 38 HH TYR 6 HH TYR 6 -6.870 -3.360 -16.498 39 H TYR 7 H TYR 7 -5.363 -7.238 -8.995 40 HA TYR 7 HA TYR 7 -5.092 -10.123 -8.249 41 1HB TYR 7 HB2 TYR 7 -4.208 -7.779 -6.553 42 2HB TYR 7 HB3 TYR 7 -3.987 -9.492 -6.225 43 HD1 TYR 7 HD1 TYR 7 -2.411 -10.823 -7.809 44 HD2 TYR 7 HD2 TYR 7 -2.649 -6.522 -7.800 45 HE1 TYR 7 HE1 TYR 7 -0.270 -10.685 -9.065 46 HE2 TYR 7 HE2 TYR 7 -0.539 -6.392 -9.033 47 HH TYR 7 HH TYR 7 1.050 -7.543 -10.223 48 H THR 8 H THR 8 -6.619 -10.856 -6.788 49 HA THR 8 HA THR 8 -9.075 -9.305 -6.574 50 HB THR 8 HB THR 8 -9.978 -11.252 -5.532 51 HG1 THR 8 HG1 THR 8 -7.777 -12.892 -5.479 52 1HG2 THR 8 HG21 THR 8 -9.773 -12.856 -7.264 53 2HG2 THR 8 HG22 THR 8 -9.470 -11.293 -8.033 54 3HG2 THR 8 HG23 THR 8 -8.112 -12.372 -7.661 55 H LEU 9 H LEU 9 -10.057 -8.686 -4.543 56 HA LEU 9 HA LEU 9 -8.442 -7.441 -2.660 57 1HB LEU 9 HB2 LEU 9 -11.157 -7.730 -3.065 58 2HB LEU 9 HB3 LEU 9 -10.955 -8.611 -1.564 59 HG LEU 9 HG LEU 9 -10.067 -5.735 -2.095 60 1HD1 LEU 9 HD11 LEU 9 -12.258 -6.742 -0.236 61 2HD1 LEU 9 HD12 LEU 9 -11.863 -5.059 -0.656 62 3HD1 LEU 9 HD13 LEU 9 -12.559 -6.140 -1.871 63 1HD2 LEU 9 HD21 LEU 9 -9.764 -5.698 0.445 64 2HD2 LEU 9 HD22 LEU 9 -9.882 -7.466 0.404 65 3HD2 LEU 9 HD23 LEU 9 -8.545 -6.636 -0.426 66 H GLU 10 H GLU 10 -9.723 -10.750 -2.686 67 HA GLU 10 HA GLU 10 -8.762 -11.654 -0.213 68 1HB GLU 10 HB2 GLU 10 -10.310 -12.864 -1.835 69 2HB GLU 10 HB3 GLU 10 -8.870 -13.371 -2.708 70 1HG GLU 10 HG2 GLU 10 -9.450 -15.142 -1.185 71 2HG GLU 10 HG3 GLU 10 -7.983 -14.383 -0.569 72 H GLU 11 H GLU 11 -7.182 -12.142 -3.421 73 HA GLU 11 HA GLU 11 -4.780 -13.214 -2.487 74 1HB GLU 11 HB2 GLU 11 -5.660 -11.802 -4.959 75 2HB GLU 11 HB3 GLU 11 -3.963 -11.573 -4.589 76 1HG GLU 11 HG2 GLU 11 -4.152 -13.525 -5.994 77 2HG GLU 11 HG3 GLU 11 -3.668 -14.049 -4.376 78 H ILE 12 H ILE 12 -5.589 -9.751 -2.937 79 HA ILE 12 HA ILE 12 -3.070 -8.812 -2.006 80 HB ILE 12 HB ILE 12 -5.816 -7.480 -2.005 81 1HG1 ILE 12 HG12 ILE 12 -3.617 -6.997 -4.037 82 2HG1 ILE 12 HG13 ILE 12 -4.726 -8.340 -4.254 83 1HG2 ILE 12 HG21 ILE 12 -3.054 -6.444 -1.402 84 2HG2 ILE 12 HG22 ILE 12 -4.185 -5.377 -2.234 85 3HG2 ILE 12 HG23 ILE 12 -4.610 -6.035 -0.645 86 1HD1 ILE 12 HD11 ILE 12 -6.671 -6.810 -4.113 87 2HD1 ILE 12 HD12 ILE 12 -5.547 -5.442 -4.018 88 3HD1 ILE 12 HD13 ILE 12 -5.613 -6.439 -5.466 89 H GLN 13 H GLN 13 -6.112 -9.503 -0.239 90 HA GLN 13 HA GLN 13 -5.305 -8.693 2.360 91 1HB GLN 13 HB2 GLN 13 -7.417 -10.447 1.162 92 2HB GLN 13 HB3 GLN 13 -7.033 -10.736 2.830 93 1HG GLN 13 HG2 GLN 13 -7.395 -7.845 2.164 94 2HG GLN 13 HG3 GLN 13 -8.799 -8.870 1.887 95 1HE2 GLN 13 HE21 GLN 13 -10.135 -8.343 3.582 96 2HE2 GLN 13 HE22 GLN 13 -9.688 -8.581 5.262 97 H LYS 14 H LYS 14 -4.691 -11.766 0.574 98 HA LYS 14 HA LYS 14 -3.583 -13.074 2.869 99 1HB LYS 14 HB2 LYS 14 -3.138 -13.461 -0.114 100 2HB LYS 14 HB3 LYS 14 -2.208 -14.338 1.103 101 1HG LYS 14 HG2 LYS 14 -4.391 -15.055 2.151 102 2HG LYS 14 HG3 LYS 14 -5.232 -14.366 0.758 103 1HD LYS 14 HD2 LYS 14 -4.507 -15.997 -0.698 104 2HD LYS 14 HD3 LYS 14 -2.979 -16.279 0.129 105 1HE LYS 14 HE2 LYS 14 -5.592 -17.037 1.488 106 2HE LYS 14 HE3 LYS 14 -4.916 -18.095 0.246 107 1HZ LYS 14 HZ1 LYS 14 -3.366 -17.228 2.589 108 2HZ LYS 14 HZ2 LYS 14 -4.231 -18.627 2.534 109 3HZ LYS 14 HZ3 LYS 14 -2.979 -18.397 1.495 110 H HIS 15 H HIS 15 -2.374 -10.307 1.171 111 HA HIS 15 HA HIS 15 0.398 -10.763 2.174 112 1HB HIS 15 HB2 HIS 15 -0.717 -8.955 0.000 113 2HB HIS 15 HB3 HIS 15 0.934 -8.934 0.574 114 HD1 HIS 15 HD1 HIS 15 2.161 -9.835 -1.546 115 HD2 HIS 15 HD2 HIS 15 -1.226 -12.071 -0.474 116 HE1 HIS 15 HE1 HIS 15 2.151 -11.913 -3.021 117 H ASN 16 H ASN 16 -0.555 -10.294 4.360 118 HA ASN 16 HA ASN 16 0.024 -7.505 5.017 119 1HB ASN 16 HB2 ASN 16 -2.101 -7.094 6.208 120 2HB ASN 16 HB3 ASN 16 -2.274 -7.299 4.469 121 1HD2 ASN 16 HD21 ASN 16 -4.648 -7.572 5.302 122 2HD2 ASN 16 HD22 ASN 16 -5.097 -9.247 5.486 123 H ASN 17 H ASN 17 1.653 -9.425 5.781 124 HA ASN 17 HA ASN 17 1.352 -9.376 8.712 125 1HB ASN 17 HB2 ASN 17 0.858 -11.874 7.130 126 2HB ASN 17 HB3 ASN 17 1.887 -12.068 8.542 127 1HD2 ASN 17 HD21 ASN 17 1.106 -11.062 10.656 128 2HD2 ASN 17 HD22 ASN 17 -0.607 -11.319 10.963 129 H SER 18 H SER 18 3.086 -7.955 7.329 130 HA SER 18 HA SER 18 5.266 -7.382 7.353 131 1HB SER 18 HB2 SER 18 5.319 -8.916 9.520 132 2HB SER 18 HB3 SER 18 6.261 -10.003 8.491 133 HG SER 18 HG SER 18 7.676 -8.202 8.118 134 H LYS 19 H LYS 19 4.971 -10.862 6.648 135 HA LYS 19 HA LYS 19 6.890 -11.415 4.892 136 1HB LYS 19 HB2 LYS 19 4.659 -12.745 5.734 137 2HB LYS 19 HB3 LYS 19 4.132 -12.338 4.099 138 1HG LYS 19 HG2 LYS 19 6.457 -13.236 3.358 139 2HG LYS 19 HG3 LYS 19 6.560 -13.950 4.977 140 1HD LYS 19 HD2 LYS 19 4.682 -15.386 4.580 141 2HD LYS 19 HD3 LYS 19 4.145 -14.417 3.188 142 1HE LYS 19 HE2 LYS 19 6.257 -15.023 1.972 143 2HE LYS 19 HE3 LYS 19 6.685 -16.126 3.288 144 1HZ LYS 19 HZ1 LYS 19 5.255 -17.623 2.486 145 2HZ LYS 19 HZ2 LYS 19 4.057 -16.528 2.198 146 3HZ LYS 19 HZ3 LYS 19 5.263 -16.734 1.104 147 H SER 20 H SER 20 3.782 -9.909 3.966 148 HA SER 20 HA SER 20 5.041 -8.455 1.788 149 1HB SER 20 HB2 SER 20 3.132 -9.154 0.285 150 2HB SER 20 HB3 SER 20 4.513 -10.239 0.476 151 HG SER 20 HG SER 20 2.506 -11.370 0.682 152 H THR 21 H THR 21 4.326 -6.402 2.090 153 HA THR 21 HA THR 21 1.681 -5.871 3.370 154 HB THR 21 HB THR 21 4.278 -4.329 3.308 155 HG1 THR 21 HG1 THR 21 3.814 -5.843 4.963 156 1HG2 THR 21 HG21 THR 21 1.561 -3.159 3.366 157 2HG2 THR 21 HG22 THR 21 2.618 -2.682 4.708 158 3HG2 THR 21 HG23 THR 21 3.134 -2.433 3.034 159 H TRP 22 H TRP 22 0.499 -6.229 1.535 160 HA TRP 22 HA TRP 22 0.882 -4.308 -0.735 161 1HB TRP 22 HB2 TRP 22 -0.751 -6.848 -0.435 162 2HB TRP 22 HB3 TRP 22 -0.858 -5.743 -1.793 163 HD1 TRP 22 HD1 TRP 22 2.710 -6.247 -0.820 164 HE1 TRP 22 HE1 TRP 22 3.887 -7.559 -2.614 165 HE3 TRP 22 HE3 TRP 22 -1.404 -7.913 -3.334 166 HZ2 TRP 22 HZ2 TRP 22 3.138 -9.149 -4.950 167 HZ3 TRP 22 HZ3 TRP 22 -1.167 -9.389 -5.280 168 HH2 TRP 22 HH2 TRP 22 1.111 -9.938 -6.176 169 H LEU 23 H LEU 23 -1.531 -3.659 -1.461 170 HA LEU 23 HA LEU 23 -3.632 -3.433 0.355 171 1HB LEU 23 HB2 LEU 23 -3.294 -0.938 0.928 172 2HB LEU 23 HB3 LEU 23 -2.501 -2.150 1.887 173 HG LEU 23 HG LEU 23 -0.384 -1.749 0.384 174 1HD1 LEU 23 HD11 LEU 23 -2.077 0.648 -0.292 175 2HD1 LEU 23 HD12 LEU 23 -0.321 0.629 -0.465 176 3HD1 LEU 23 HD13 LEU 23 -1.311 -0.478 -1.433 177 1HD2 LEU 23 HD21 LEU 23 -0.536 -1.125 2.711 178 2HD2 LEU 23 HD22 LEU 23 0.268 0.139 1.760 179 3HD2 LEU 23 HD23 LEU 23 -1.443 0.339 2.274 180 H ILE 24 H ILE 24 -5.087 -1.527 -0.396 181 HA ILE 24 HA ILE 24 -4.758 -1.181 -3.363 182 HB ILE 24 HB ILE 24 -7.275 -1.629 -1.748 183 1HG1 ILE 24 HG12 ILE 24 -6.412 -3.256 -4.145 184 2HG1 ILE 24 HG13 ILE 24 -5.609 -3.578 -2.614 185 1HG2 ILE 24 HG21 ILE 24 -6.892 -1.033 -4.728 186 2HG2 ILE 24 HG22 ILE 24 -8.421 -1.536 -3.986 187 3HG2 ILE 24 HG23 ILE 24 -7.712 0.021 -3.559 188 1HD1 ILE 24 HD11 ILE 24 -7.574 -4.185 -1.475 189 2HD1 ILE 24 HD12 ILE 24 -8.639 -3.495 -2.710 190 3HD1 ILE 24 HD13 ILE 24 -7.721 -4.971 -3.057 191 H LEU 25 H LEU 25 -4.305 0.842 -3.815 192 HA LEU 25 HA LEU 25 -5.633 3.116 -2.365 193 1HB LEU 25 HB2 LEU 25 -2.829 2.733 -3.426 194 2HB LEU 25 HB3 LEU 25 -3.567 4.329 -3.402 195 HG LEU 25 HG LEU 25 -3.313 4.704 -1.294 196 1HD1 LEU 25 HD11 LEU 25 -4.784 3.194 -0.449 197 2HD1 LEU 25 HD12 LEU 25 -3.736 1.806 -0.724 198 3HD1 LEU 25 HD13 LEU 25 -3.310 3.030 0.510 199 1HD2 LEU 25 HD21 LEU 25 -1.108 4.370 -1.966 200 2HD2 LEU 25 HD22 LEU 25 -1.204 3.631 -0.368 201 3HD2 LEU 25 HD23 LEU 25 -1.163 2.602 -1.803 202 H HIS 26 H HIS 26 -7.381 3.311 -3.657 203 HA HIS 26 HA HIS 26 -8.585 3.975 -5.455 204 1HB HIS 26 HB2 HIS 26 -6.040 4.943 -6.787 205 2HB HIS 26 HB3 HIS 26 -7.697 5.477 -7.065 206 HD1 HIS 26 HD1 HIS 26 -8.711 7.192 -5.196 207 HD2 HIS 26 HD2 HIS 26 -4.757 5.868 -4.664 208 HE1 HIS 26 HE1 HIS 26 -7.697 8.669 -3.415 209 H TYR 27 H TYR 27 -8.268 1.391 -5.473 210 HA TYR 27 HA TYR 27 -8.441 -0.492 -6.710 211 1HB TYR 27 HB2 TYR 27 -8.722 1.338 -9.116 212 2HB TYR 27 HB3 TYR 27 -9.344 -0.288 -8.947 213 HD1 TYR 27 HD1 TYR 27 -10.722 2.544 -9.562 214 HD2 TYR 27 HD2 TYR 27 -10.573 -0.078 -6.132 215 HE1 TYR 27 HE1 TYR 27 -13.055 3.147 -8.969 216 HE2 TYR 27 HE2 TYR 27 -12.928 0.405 -5.661 217 HH TYR 27 HH TYR 27 -14.772 1.677 -6.214 218 H LYS 28 H LYS 28 -5.769 0.701 -6.304 219 HA LYS 28 HA LYS 28 -4.271 -0.753 -8.407 220 1HB LYS 28 HB2 LYS 28 -4.148 2.113 -7.583 221 2HB LYS 28 HB3 LYS 28 -2.597 1.303 -7.848 222 1HG LYS 28 HG2 LYS 28 -2.923 0.962 -10.063 223 2HG LYS 28 HG3 LYS 28 -4.646 0.779 -9.908 224 1HD LYS 28 HD2 LYS 28 -4.115 3.500 -9.211 225 2HD LYS 28 HD3 LYS 28 -3.183 3.151 -10.672 226 1HE LYS 28 HE2 LYS 28 -5.100 2.567 -11.934 227 2HE LYS 28 HE3 LYS 28 -6.083 2.206 -10.510 228 1HZ LYS 28 HZ1 LYS 28 -6.532 4.284 -10.067 229 2HZ LYS 28 HZ2 LYS 28 -5.250 4.944 -10.872 230 3HZ LYS 28 HZ3 LYS 28 -6.528 4.329 -11.718 231 H VAL 29 H VAL 29 -2.843 -2.091 -7.669 232 HA VAL 29 HA VAL 29 -2.483 -2.246 -4.777 233 HB VAL 29 HB VAL 29 -1.585 -4.269 -6.835 234 1HG1 VAL 29 HG11 VAL 29 -2.499 -4.580 -3.936 235 2HG1 VAL 29 HG12 VAL 29 -1.763 -5.818 -4.972 236 3HG1 VAL 29 HG13 VAL 29 -0.798 -4.446 -4.403 237 1HG2 VAL 29 HG21 VAL 29 -4.326 -3.868 -5.585 238 2HG2 VAL 29 HG22 VAL 29 -3.905 -3.975 -7.311 239 3HG2 VAL 29 HG23 VAL 29 -3.778 -5.403 -6.283 240 H TYR 30 H TYR 30 -0.597 -1.990 -3.758 241 HA TYR 30 HA TYR 30 1.873 -1.279 -5.291 242 1HB TYR 30 HB2 TYR 30 0.592 0.096 -2.893 243 2HB TYR 30 HB3 TYR 30 2.188 0.467 -3.507 244 HD1 TYR 30 HD1 TYR 30 2.356 1.232 -5.987 245 HD2 TYR 30 HD2 TYR 30 -1.404 0.953 -3.938 246 HE1 TYR 30 HE1 TYR 30 1.299 2.707 -7.695 247 HE2 TYR 30 HE2 TYR 30 -2.411 2.528 -5.590 248 HH TYR 30 HH TYR 30 -0.450 4.142 -8.080 249 H ASP 31 H ASP 31 3.402 -2.743 -4.732 250 HA ASP 31 HA ASP 31 3.222 -4.161 -2.111 251 1HB ASP 31 HB2 ASP 31 3.907 -5.562 -3.998 252 2HB ASP 31 HB3 ASP 31 5.207 -4.423 -4.397 253 H LEU 32 H LEU 32 4.051 -3.021 -0.389 254 HA LEU 32 HA LEU 32 6.592 -1.535 -0.848 255 1HB LEU 32 HB2 LEU 32 4.607 -0.864 1.263 256 2HB LEU 32 HB3 LEU 32 5.941 0.096 0.771 257 HG LEU 32 HG LEU 32 4.230 -0.294 -1.571 258 1HD1 LEU 32 HD11 LEU 32 2.495 -0.600 0.253 259 2HD1 LEU 32 HD12 LEU 32 2.820 1.084 0.728 260 3HD1 LEU 32 HD13 LEU 32 2.198 0.695 -0.898 261 1HD2 LEU 32 HD21 LEU 32 4.544 1.980 -1.854 262 2HD2 LEU 32 HD22 LEU 32 4.797 2.274 -0.107 263 3HD2 LEU 32 HD23 LEU 32 6.016 1.425 -1.074 264 H THR 33 H THR 33 5.923 -4.429 -0.095 265 HA THR 33 HA THR 33 6.277 -4.854 2.641 266 HB THR 33 HB THR 33 5.780 -6.565 0.829 267 HG1 THR 33 HG1 THR 33 6.556 -6.962 3.168 268 1HG2 THR 33 HG21 THR 33 8.744 -6.953 0.573 269 2HG2 THR 33 HG22 THR 33 7.409 -7.812 -0.212 270 3HG2 THR 33 HG23 THR 33 7.729 -6.128 -0.647 271 H LYS 34 H LYS 34 8.745 -4.282 0.194 272 HA LYS 34 HA LYS 34 10.860 -4.431 2.281 273 1HB LYS 34 HB2 LYS 34 10.677 -5.508 -0.284 274 2HB LYS 34 HB3 LYS 34 11.702 -4.098 -0.548 275 1HG LYS 34 HG2 LYS 34 13.232 -4.884 1.226 276 2HG LYS 34 HG3 LYS 34 12.104 -6.166 1.668 277 1HD LYS 34 HD2 LYS 34 12.929 -7.585 0.209 278 2HD LYS 34 HD3 LYS 34 12.581 -6.514 -1.139 279 1HE LYS 34 HE2 LYS 34 15.100 -6.398 0.602 280 2HE LYS 34 HE3 LYS 34 14.983 -7.207 -0.967 281 1HZ LYS 34 HZ1 LYS 34 15.896 -5.048 -1.255 282 2HZ LYS 34 HZ2 LYS 34 14.401 -5.059 -1.938 283 3HZ LYS 34 HZ3 LYS 34 14.637 -4.315 -0.492 284 H PHE 35 H PHE 35 8.880 -2.291 2.149 285 HA PHE 35 HA PHE 35 10.764 -0.031 1.999 286 1HB PHE 35 HB2 PHE 35 8.943 -0.577 0.013 287 2HB PHE 35 HB3 PHE 35 8.005 0.426 1.028 288 HD1 PHE 35 HD1 PHE 35 11.666 0.640 0.046 289 HD2 PHE 35 HD2 PHE 35 7.787 2.562 0.092 290 HE1 PHE 35 HE1 PHE 35 12.666 2.701 -0.849 291 HE2 PHE 35 HE2 PHE 35 8.771 4.539 -1.018 292 HZ PHE 35 HZ PHE 35 11.219 4.636 -1.456 293 H LEU 36 H LEU 36 9.185 -1.764 4.128 294 HA LEU 36 HA LEU 36 7.280 0.034 5.274 295 1HB LEU 36 HB2 LEU 36 8.881 -2.244 6.516 296 2HB LEU 36 HB3 LEU 36 7.479 -1.471 7.263 297 HG LEU 36 HG LEU 36 7.329 -2.818 4.536 298 1HD1 LEU 36 HD11 LEU 36 8.046 -4.464 6.252 299 2HD1 LEU 36 HD12 LEU 36 6.625 -4.038 7.231 300 3HD1 LEU 36 HD13 LEU 36 6.420 -4.781 5.628 301 1HD2 LEU 36 HD21 LEU 36 4.948 -2.884 5.010 302 2HD2 LEU 36 HD22 LEU 36 5.181 -2.077 6.568 303 3HD2 LEU 36 HD23 LEU 36 5.504 -1.217 5.040 304 H GLU 37 H GLU 37 10.578 -0.783 6.398 305 HA GLU 37 HA GLU 37 10.870 1.395 8.213 306 1HB GLU 37 HB2 GLU 37 12.655 -0.613 6.857 307 2HB GLU 37 HB3 GLU 37 13.431 0.842 7.458 308 1HG GLU 37 HG2 GLU 37 11.577 -0.370 9.443 309 2HG GLU 37 HG3 GLU 37 12.911 -1.415 8.967 310 H GLU 38 H GLU 38 11.521 1.115 4.721 311 HA GLU 38 HA GLU 38 12.974 3.566 4.435 312 1HB GLU 38 HB2 GLU 38 11.283 1.964 2.511 313 2HB GLU 38 HB3 GLU 38 12.267 3.307 2.027 314 1HG GLU 38 HG2 GLU 38 13.994 1.585 3.560 315 2HG GLU 38 HG3 GLU 38 13.096 0.556 2.436 316 H HIS 39 HN HIS 39 9.504 2.717 4.109 317 HA HIS 39 HA HIS 39 8.643 5.157 3.068 318 1HB HIS 39 HB2 HIS 39 7.212 3.293 2.954 319 2HB HIS 39 HB3 HIS 39 7.233 3.069 4.708 320 HD1 HIS 39 HND HIS 39 5.893 4.785 6.196 321 HD2 HIS 39 HD HIS 39 5.503 5.253 2.044 322 HE1 HIS 39 HE HIS 39 3.883 6.267 5.847 323 HA PRO 40 HA PRO 40 9.358 7.520 6.856 324 1HB PRO 40 HB2 PRO 40 8.830 10.036 5.940 325 2HB PRO 40 HB3 PRO 40 10.281 9.105 5.482 326 1HG PRO 40 HG2 PRO 40 7.727 9.431 3.919 327 2HG PRO 40 HG3 PRO 40 9.408 9.559 3.319 328 1HD PRO 40 HD2 PRO 40 7.833 7.304 3.088 329 2HD PRO 40 HD3 PRO 40 9.619 7.234 3.213 330 H GLY 41 H GLY 41 7.461 6.187 7.576 331 1HA GLY 41 HA1 GLY 41 5.565 8.044 8.831 332 2HA GLY 41 HA2 GLY 41 4.800 6.940 7.706 333 H GLY 42 H GLY 42 7.648 6.012 9.598 334 1HA GLY 42 HA1 GLY 42 8.000 4.454 11.214 335 2HA GLY 42 HA2 GLY 42 6.499 5.043 11.931 336 H GLU 43 H GLU 43 8.024 2.457 10.139 337 HA GLU 43 HA GLU 43 6.027 1.021 8.993 338 1HB GLU 43 HB2 GLU 43 7.327 -0.980 9.514 339 2HB GLU 43 HB3 GLU 43 8.284 0.343 8.855 340 1HG GLU 43 HG2 GLU 43 9.706 0.251 10.588 341 2HG GLU 43 HG3 GLU 43 8.411 0.589 11.725 342 H ALA 44 H ALA 44 4.082 0.845 9.774 343 HA ALA 44 HA ALA 44 3.222 -0.994 11.750 344 1HB ALA 44 HB1 ALA 44 3.574 1.877 12.702 345 2HB ALA 44 HB2 ALA 44 2.276 0.850 13.343 346 3HB ALA 44 HB3 ALA 44 3.962 0.365 13.550 347 H VAL 45 H VAL 45 2.380 2.384 10.803 348 HA VAL 45 HA VAL 45 -0.341 1.869 10.326 349 HB VAL 45 HB VAL 45 0.672 4.114 10.520 350 1HG1 VAL 45 HG11 VAL 45 1.705 5.237 8.693 351 2HG1 VAL 45 HG12 VAL 45 2.628 3.767 8.993 352 3HG1 VAL 45 HG13 VAL 45 1.506 3.865 7.607 353 1HG2 VAL 45 HG21 VAL 45 -1.233 3.411 8.293 354 2HG2 VAL 45 HG22 VAL 45 -1.529 4.230 9.830 355 3HG2 VAL 45 HG23 VAL 45 -0.722 5.092 8.511 356 H LEU 46 H LEU 46 2.403 1.811 7.876 357 HA LEU 46 HA LEU 46 0.788 0.909 5.772 358 1HB LEU 46 HB2 LEU 46 3.675 0.074 6.282 359 2HB LEU 46 HB3 LEU 46 2.798 0.075 4.750 360 HG LEU 46 HG LEU 46 2.355 2.661 5.650 361 1HD1 LEU 46 HD11 LEU 46 4.244 1.948 7.452 362 2HD1 LEU 46 HD12 LEU 46 5.304 2.413 6.131 363 3HD1 LEU 46 HD13 LEU 46 4.110 3.566 6.788 364 1HD2 LEU 46 HD21 LEU 46 4.708 1.975 3.889 365 2HD2 LEU 46 HD22 LEU 46 3.017 1.833 3.358 366 3HD2 LEU 46 HD23 LEU 46 3.627 3.394 3.867 367 H ARG 47 H ARG 47 2.049 -0.938 8.505 368 HA ARG 47 HA ARG 47 1.579 -3.520 7.269 369 1HB ARG 47 HB2 ARG 47 3.205 -2.520 9.311 370 2HB ARG 47 HB3 ARG 47 1.992 -3.398 10.221 371 1HG ARG 47 HG2 ARG 47 3.268 -4.792 7.839 372 2HG ARG 47 HG3 ARG 47 4.287 -4.445 9.228 373 1HD ARG 47 HD2 ARG 47 3.327 -6.682 9.407 374 2HD ARG 47 HD3 ARG 47 2.852 -5.616 10.744 375 HE ARG 47 HE ARG 47 0.858 -5.463 8.694 376 1HH1 ARG 47 HH11 ARG 47 -1.354 -7.785 9.923 377 2HH1 ARG 47 HH12 ARG 47 -1.127 -6.348 8.972 378 1HH2 ARG 47 HH21 ARG 47 0.396 -8.292 11.548 379 2HH2 ARG 47 HH22 ARG 47 1.955 -7.558 11.296 380 H ALA 48 H ALA 48 -0.161 -1.319 9.384 381 HA ALA 48 HA ALA 48 -2.235 -3.230 10.150 382 1HB ALA 48 HB1 ALA 48 -2.030 -0.198 10.378 383 2HB ALA 48 HB2 ALA 48 -3.307 -1.202 11.099 384 3HB ALA 48 HB3 ALA 48 -1.620 -1.386 11.628 385 H GLN 49 H GLN 49 -2.015 -0.390 7.924 386 HA GLN 49 HA GLN 49 -4.600 -0.826 6.736 387 1HB GLN 49 HB2 GLN 49 -2.172 0.916 6.263 388 2HB GLN 49 HB3 GLN 49 -3.337 0.733 4.979 389 1HG GLN 49 HG2 GLN 49 -3.804 2.696 6.370 390 2HG GLN 49 HG3 GLN 49 -5.147 1.543 6.320 391 1HE2 GLN 49 HE21 GLN 49 -6.183 1.994 8.282 392 2HE2 GLN 49 HE22 GLN 49 -5.362 1.873 9.829 393 H ALA 50 H ALA 50 -1.458 -2.303 6.218 394 HA ALA 50 HA ALA 50 -1.617 -3.134 3.650 395 1HB ALA 50 HB1 ALA 50 0.287 -3.774 5.036 396 2HB ALA 50 HB2 ALA 50 -0.742 -4.813 6.033 397 3HB ALA 50 HB3 ALA 50 -0.422 -5.227 4.340 398 H GLY 51 H GLY 51 -2.468 -4.868 2.500 399 1HA GLY 51 HA1 GLY 51 -4.147 -6.191 1.727 400 2HA GLY 51 HA2 GLY 51 -3.962 -7.084 3.231 401 H GLY 52 H GLY 52 -5.183 -3.826 2.342 402 1HA GLY 52 HA1 GLY 52 -7.935 -4.461 2.920 403 2HA GLY 52 HA2 GLY 52 -7.163 -3.424 4.152 404 H ASP 53 H ASP 53 -9.192 -2.264 2.725 405 HA ASP 53 HA ASP 53 -8.206 -0.700 0.489 406 1HB ASP 53 HB2 ASP 53 -10.251 0.618 0.960 407 2HB ASP 53 HB3 ASP 53 -10.596 -1.105 0.739 408 H ALA 54 H ALA 54 -6.591 0.713 0.836 409 HA ALA 54 HA ALA 54 -6.525 2.196 3.464 410 1HB ALA 54 HB1 ALA 54 -4.657 0.654 3.256 411 2HB ALA 54 HB2 ALA 54 -4.201 1.360 1.707 412 3HB ALA 54 HB3 ALA 54 -4.122 2.361 3.183 413 H THR 55 H THR 55 -7.732 2.543 0.535 414 HA THR 55 HA THR 55 -6.392 4.748 -0.615 415 HB THR 55 HB THR 55 -9.386 4.155 -0.765 416 HG1 THR 55 HG1 THR 55 -8.194 2.280 -1.342 417 1HG2 THR 55 HG21 THR 55 -7.367 5.410 -2.651 418 2HG2 THR 55 HG22 THR 55 -9.068 5.097 -3.061 419 3HG2 THR 55 HG23 THR 55 -8.659 6.300 -1.816 420 H ALA 56 H ALA 56 -9.263 4.728 1.547 421 HA ALA 56 HA ALA 56 -9.411 7.535 1.917 422 1HB ALA 56 HB1 ALA 56 -10.272 5.264 3.764 423 2HB ALA 56 HB2 ALA 56 -10.759 6.966 3.915 424 3HB ALA 56 HB3 ALA 56 -11.253 6.029 2.492 425 H ASN 57 H ASN 57 -7.593 5.030 3.691 426 HA ASN 57 HA ASN 57 -6.769 6.720 5.835 427 1HB ASN 57 HB2 ASN 57 -6.540 3.983 5.176 428 2HB ASN 57 HB3 ASN 57 -4.878 4.551 5.222 429 1HD2 ASN 57 HD21 ASN 57 -7.928 4.250 7.079 430 2HD2 ASN 57 HD22 ASN 57 -7.160 4.406 8.650 431 H PHE 58 H PHE 58 -5.152 5.712 2.850 432 HA PHE 58 HA PHE 58 -2.699 7.093 3.029 433 1HB PHE 58 HB2 PHE 58 -3.126 5.319 1.453 434 2HB PHE 58 HB3 PHE 58 -4.438 6.211 0.700 435 HD1 PHE 58 HD1 PHE 58 -0.763 6.008 1.040 436 HD2 PHE 58 HD2 PHE 58 -4.062 7.841 -1.015 437 HE1 PHE 58 HE1 PHE 58 0.804 6.924 -0.666 438 HE2 PHE 58 HE2 PHE 58 -2.505 8.831 -2.650 439 HZ PHE 58 HZ PHE 58 -0.059 8.349 -2.497 440 H GLU 59 H GLU 59 -5.840 8.065 1.535 441 HA GLU 59 HA GLU 59 -4.965 10.706 0.853 442 1HB GLU 59 HB2 GLU 59 -7.705 9.472 1.217 443 2HB GLU 59 HB3 GLU 59 -7.434 11.117 0.624 444 1HG GLU 59 HG2 GLU 59 -5.699 9.307 -0.848 445 2HG GLU 59 HG3 GLU 59 -7.339 8.672 -0.879 446 H ALA 60 H ALA 60 -6.590 9.412 3.771 447 HA ALA 60 HA ALA 60 -7.161 11.870 5.030 448 1HB ALA 60 HB1 ALA 60 -6.885 10.427 7.184 449 2HB ALA 60 HB2 ALA 60 -8.158 10.000 6.025 450 3HB ALA 60 HB3 ALA 60 -6.652 9.071 6.075 451 H VAL 61 H VAL 61 -4.199 9.821 5.311 452 HA VAL 61 HA VAL 61 -2.879 11.789 6.993 453 HB VAL 61 HB VAL 61 -0.850 10.518 6.643 454 1HG1 VAL 61 HG11 VAL 61 -2.289 9.663 8.352 455 2HG1 VAL 61 HG12 VAL 61 -3.365 8.868 7.186 456 3HG1 VAL 61 HG13 VAL 61 -1.735 8.253 7.426 457 1HG2 VAL 61 HG21 VAL 61 -0.758 8.557 5.251 458 2HG2 VAL 61 HG22 VAL 61 -2.404 8.817 4.673 459 3HG2 VAL 61 HG23 VAL 61 -1.114 9.969 4.254 460 H GLY 62 H GLY 62 -3.388 11.530 3.544 461 1HA GLY 62 HA1 GLY 62 -3.041 13.118 1.942 462 2HA GLY 62 HA2 GLY 62 -2.150 14.138 3.083 463 H HIS 63 HN HIS 63 -1.497 13.242 0.267 464 HA HIS 63 HA HIS 63 1.285 12.422 0.747 465 1HB HIS 63 HB2 HIS 63 -0.784 10.741 -0.702 466 2HB HIS 63 HB3 HIS 63 0.913 10.674 -1.147 467 HD1 HIS 63 HND HIS 63 -1.418 9.520 1.662 468 HD2 HIS 63 HD HIS 63 2.649 9.571 0.594 469 HE1 HIS 63 HE HIS 63 -0.258 7.799 3.120 470 H SER 64 H SER 64 2.408 13.885 -0.363 471 HA SER 64 HA SER 64 1.280 15.608 -2.335 472 1HB SER 64 HB2 SER 64 4.079 15.075 -1.273 473 2HB SER 64 HB3 SER 64 3.819 16.213 -2.604 474 HG SER 64 HG SER 64 3.697 17.207 -0.530 475 H THR 65 H THR 65 2.568 16.020 -4.480 476 HA THR 65 HA THR 65 1.925 14.027 -6.245 477 HB THR 65 HB THR 65 4.182 16.008 -6.690 478 HG1 THR 65 HG1 THR 65 1.374 16.451 -6.691 479 1HG2 THR 65 HG21 THR 65 1.996 15.016 -8.580 480 2HG2 THR 65 HG22 THR 65 3.358 16.086 -8.974 481 3HG2 THR 65 HG23 THR 65 3.659 14.399 -8.536 482 H ASP 66 H ASP 66 5.184 14.727 -4.893 483 HA ASP 66 HA ASP 66 6.594 12.791 -6.277 484 1HB ASP 66 HB2 ASP 66 7.179 14.567 -4.217 485 2HB ASP 66 HB3 ASP 66 7.332 13.018 -3.386 486 H ALA 67 H ALA 67 4.658 12.408 -3.333 487 HA ALA 67 HA ALA 67 5.225 9.595 -2.965 488 1HB ALA 67 HB1 ALA 67 4.363 10.702 -1.063 489 2HB ALA 67 HB2 ALA 67 2.998 11.386 -1.948 490 3HB ALA 67 HB3 ALA 67 3.061 9.641 -1.644 491 H ARG 68 H ARG 68 2.437 11.357 -4.636 492 HA ARG 68 HA ARG 68 1.099 8.935 -5.238 493 1HB ARG 68 HB2 ARG 68 -0.445 10.199 -6.255 494 2HB ARG 68 HB3 ARG 68 0.367 11.476 -5.354 495 1HG ARG 68 HG2 ARG 68 1.719 11.889 -7.550 496 2HG ARG 68 HG3 ARG 68 0.594 10.767 -8.305 497 1HD ARG 68 HD2 ARG 68 -1.052 12.565 -6.883 498 2HD ARG 68 HD3 ARG 68 0.275 13.565 -7.474 499 HE ARG 68 HE ARG 68 -0.717 11.847 -9.559 500 1HH1 ARG 68 HH11 ARG 68 -2.664 14.290 -11.165 501 2HH1 ARG 68 HH12 ARG 68 -1.937 12.723 -11.298 502 1HH2 ARG 68 HH21 ARG 68 -2.362 15.556 -9.180 503 2HH2 ARG 68 HH22 ARG 68 -1.481 14.847 -7.863 504 H GLU 69 H GLU 69 3.760 10.596 -6.834 505 HA GLU 69 HA GLU 69 3.648 9.042 -9.320 506 1HB GLU 69 HB2 GLU 69 5.314 11.201 -8.127 507 2HB GLU 69 HB3 GLU 69 5.984 10.285 -9.474 508 1HG GLU 69 HG2 GLU 69 3.166 11.335 -9.793 509 2HG GLU 69 HG3 GLU 69 4.505 12.489 -9.863 510 H LEU 70 H LEU 70 5.511 9.094 -6.278 511 HA LEU 70 HA LEU 70 7.375 7.111 -6.940 512 1HB LEU 70 HB2 LEU 70 7.515 8.608 -5.025 513 2HB LEU 70 HB3 LEU 70 6.127 7.810 -4.294 514 HG LEU 70 HG LEU 70 7.315 6.251 -3.335 515 1HD1 LEU 70 HD11 LEU 70 8.764 5.792 -5.884 516 2HD1 LEU 70 HD12 LEU 70 9.184 4.989 -4.351 517 3HD1 LEU 70 HD13 LEU 70 7.544 4.849 -4.965 518 1HD2 LEU 70 HD21 LEU 70 9.356 8.342 -3.908 519 2HD2 LEU 70 HD22 LEU 70 8.770 7.663 -2.377 520 3HD2 LEU 70 HD23 LEU 70 9.957 6.783 -3.343 521 H SER 71 H SER 71 4.240 6.825 -5.234 522 HA SER 71 HA SER 71 3.939 4.122 -4.996 523 1HB SER 71 HB2 SER 71 1.683 5.814 -6.214 524 2HB SER 71 HB3 SER 71 1.565 4.447 -5.102 525 HG SER 71 HG SER 71 2.544 7.064 -4.554 526 H LYS 72 H LYS 72 3.356 5.975 -8.087 527 HA LYS 72 HA LYS 72 2.570 3.739 -9.650 528 1HB LYS 72 HB2 LYS 72 3.815 6.426 -10.296 529 2HB LYS 72 HB3 LYS 72 3.598 5.237 -11.563 530 1HG LYS 72 HG2 LYS 72 1.284 5.814 -9.706 531 2HG LYS 72 HG3 LYS 72 1.706 7.016 -10.938 532 1HD LYS 72 HD2 LYS 72 1.448 5.533 -12.731 533 2HD LYS 72 HD3 LYS 72 1.464 4.085 -11.720 534 1HE LYS 72 HE2 LYS 72 -0.737 4.235 -11.133 535 2HE LYS 72 HE3 LYS 72 -0.739 6.005 -11.094 536 1HZ LYS 72 HZ1 LYS 72 -0.787 6.034 -13.469 537 2HZ LYS 72 HZ2 LYS 72 -0.757 4.390 -13.558 538 3HZ LYS 72 HZ3 LYS 72 -2.058 5.159 -12.907 539 H THR 73 H THR 73 5.843 4.881 -8.824 540 HA THR 73 HA THR 73 7.239 2.996 -10.546 541 HB THR 73 HB THR 73 8.016 4.855 -8.289 542 HG1 THR 73 HG1 THR 73 7.784 5.522 -10.469 543 1HG2 THR 73 HG21 THR 73 9.413 2.975 -7.742 544 2HG2 THR 73 HG22 THR 73 9.851 2.746 -9.453 545 3HG2 THR 73 HG23 THR 73 10.368 4.204 -8.578 546 H PHE 74 H PHE 74 5.529 2.723 -7.579 547 HA PHE 74 HA PHE 74 6.713 0.068 -6.894 548 1HB PHE 74 HB2 PHE 74 5.047 2.143 -5.431 549 2HB PHE 74 HB3 PHE 74 4.966 0.462 -4.957 550 HD1 PHE 74 HD1 PHE 74 6.171 0.005 -3.106 551 HD2 PHE 74 HD2 PHE 74 7.785 2.779 -5.969 552 HE1 PHE 74 HE1 PHE 74 8.300 -0.019 -1.926 553 HE2 PHE 74 HE2 PHE 74 9.867 2.888 -4.685 554 HZ PHE 74 HZ PHE 74 10.168 1.424 -2.653 555 H ILE 75 H ILE 75 4.271 1.249 -8.898 556 HA ILE 75 HA ILE 75 2.039 -0.293 -8.072 557 HB ILE 75 HB ILE 75 2.366 1.556 -9.899 558 1HG1 ILE 75 HG12 ILE 75 0.310 -0.633 -9.809 559 2HG1 ILE 75 HG13 ILE 75 0.287 1.014 -9.129 560 1HG2 ILE 75 HG21 ILE 75 2.419 0.771 -12.179 561 2HG2 ILE 75 HG22 ILE 75 3.805 0.077 -11.353 562 3HG2 ILE 75 HG23 ILE 75 2.357 -0.927 -11.634 563 1HD1 ILE 75 HD11 ILE 75 0.449 1.910 -11.452 564 2HD1 ILE 75 HD12 ILE 75 0.177 0.245 -12.050 565 3HD1 ILE 75 HD13 ILE 75 -1.067 1.060 -11.097 566 H ILE 76 H ILE 76 1.607 -2.439 -8.108 567 HA ILE 76 HA ILE 76 3.471 -4.258 -9.627 568 HB ILE 76 HB ILE 76 2.597 -5.976 -8.052 569 1HG1 ILE 76 HG12 ILE 76 1.712 -3.626 -6.325 570 2HG1 ILE 76 HG13 ILE 76 0.590 -4.516 -7.349 571 1HG2 ILE 76 HG21 ILE 76 4.073 -3.680 -6.684 572 2HG2 ILE 76 HG22 ILE 76 4.210 -5.416 -6.338 573 3HG2 ILE 76 HG23 ILE 76 4.829 -4.773 -7.856 574 1HD1 ILE 76 HD11 ILE 76 1.351 -5.144 -4.739 575 2HD1 ILE 76 HD12 ILE 76 0.468 -6.202 -5.872 576 3HD1 ILE 76 HD13 ILE 76 2.229 -6.325 -5.725 577 H GLY 77 H GLY 77 0.353 -2.916 -9.691 578 1HA GLY 77 HA1 GLY 77 -0.540 -3.900 -12.046 579 2HA GLY 77 HA2 GLY 77 -0.967 -5.182 -10.891 580 H GLU 78 H GLU 78 -3.142 -4.823 -11.056 581 HA GLU 78 HA GLU 78 -4.201 -2.327 -9.841 582 1HB GLU 78 HB2 GLU 78 -4.584 -3.330 -12.615 583 2HB GLU 78 HB3 GLU 78 -6.065 -2.903 -11.767 584 1HG GLU 78 HG2 GLU 78 -5.302 -0.720 -11.257 585 2HG GLU 78 HG3 GLU 78 -3.701 -1.021 -11.980 586 H LEU 79 H LEU 79 -6.574 -2.540 -9.445 587 HA LEU 79 HA LEU 79 -7.016 -4.951 -7.825 588 1HB LEU 79 HB2 LEU 79 -7.635 -2.773 -6.948 589 2HB LEU 79 HB3 LEU 79 -8.570 -2.454 -8.423 590 HG LEU 79 HG LEU 79 -9.945 -4.597 -7.699 591 1HD1 LEU 79 HD11 LEU 79 -9.945 -5.218 -5.455 592 2HD1 LEU 79 HD12 LEU 79 -8.225 -5.068 -5.813 593 3HD1 LEU 79 HD13 LEU 79 -9.064 -3.767 -4.948 594 1HD2 LEU 79 HD21 LEU 79 -10.428 -1.936 -7.576 595 2HD2 LEU 79 HD22 LEU 79 -11.545 -3.213 -7.191 596 3HD2 LEU 79 HD23 LEU 79 -10.652 -2.408 -5.879 597 H HIS 80 H HIS 80 -8.183 -6.665 -8.422 598 HA HIS 80 HA HIS 80 -8.962 -7.329 -10.999 599 1HB HIS 80 HB2 HIS 80 -8.772 -8.729 -8.843 600 2HB HIS 80 HB3 HIS 80 -10.466 -8.338 -8.568 601 HD1 HIS 80 HD1 HIS 80 -11.888 -10.334 -9.516 602 HD2 HIS 80 HD2 HIS 80 -8.191 -9.810 -11.428 603 HE1 HIS 80 HE1 HIS 80 -11.765 -12.096 -11.326 604 HA PRO 81 HA PRO 81 -12.558 -4.878 -11.665 605 1HB PRO 81 HB2 PRO 81 -13.689 -6.176 -13.806 606 2HB PRO 81 HB3 PRO 81 -12.263 -5.100 -13.879 607 1HG PRO 81 HG2 PRO 81 -12.320 -8.116 -13.891 608 2HG PRO 81 HG3 PRO 81 -11.233 -7.016 -14.790 609 1HD PRO 81 HD2 PRO 81 -10.622 -8.342 -12.460 610 2HD PRO 81 HD3 PRO 81 -9.788 -6.862 -13.018 611 H ASP 82 H ASP 82 -12.634 -8.224 -10.637 612 HA ASP 82 HA ASP 82 -15.505 -8.454 -10.457 613 1HB ASP 82 HB2 ASP 82 -13.746 -10.324 -10.479 614 2HB ASP 82 HB3 ASP 82 -13.484 -9.909 -8.742 615 H ASP 83 H ASP 83 -13.030 -6.967 -8.465 616 HA ASP 83 HA ASP 83 -14.526 -6.816 -5.980 617 1HB ASP 83 HB2 ASP 83 -12.141 -6.733 -5.925 618 2HB ASP 83 HB3 ASP 83 -12.087 -5.421 -7.096 619 H ARG 84 H ARG 84 -14.069 -4.794 -8.814 620 HA ARG 84 HA ARG 84 -14.870 -2.337 -7.780 621 1HB ARG 84 HB2 ARG 84 -14.032 -3.361 -10.312 622 2HB ARG 84 HB3 ARG 84 -15.594 -2.621 -10.606 623 1HG ARG 84 HG2 ARG 84 -14.145 -0.864 -10.980 624 2HG ARG 84 HG3 ARG 84 -14.709 -0.568 -9.335 625 1HD ARG 84 HD2 ARG 84 -12.277 -0.252 -9.418 626 2HD ARG 84 HD3 ARG 84 -12.681 -1.637 -8.423 627 HE ARG 84 HE ARG 84 -11.620 -3.072 -9.904 628 1HH1 ARG 84 HH11 ARG 84 -9.945 -2.402 -12.916 629 2HH1 ARG 84 HH12 ARG 84 -9.917 -3.391 -11.482 630 1HH2 ARG 84 HH21 ARG 84 -11.122 -0.317 -12.866 631 2HH2 ARG 84 HH22 ARG 84 -12.206 -0.031 -11.536 632 HHA HEM 201 HGM HEM 201 4.799 10.807 4.976 633 HHB HEM 201 HDM HEM 201 5.681 7.855 -0.694 634 HHC HEM 201 HAM HEM 201 0.997 3.685 0.792 635 HHD HEM 201 HBM HEM 201 0.403 6.423 6.624 636 1HMA HEM 201 HM81 HEM 201 6.608 9.950 -0.781 637 2HMA HEM 201 HM82 HEM 201 7.191 11.238 0.256 638 3HMA HEM 201 HM83 HEM 201 7.917 9.621 0.372 639 1HAA HEM 201 HAA1 HEM 201 6.791 11.620 3.851 640 2HAA HEM 201 HAA2 HEM 201 6.991 12.170 2.206 641 1HBA HEM 201 HBA1 HEM 201 5.275 13.240 4.138 642 2HBA HEM 201 HBA2 HEM 201 4.166 12.343 3.100 643 1HMB HEM 201 HM11 HEM 201 4.898 6.642 -2.700 644 2HMB HEM 201 HM12 HEM 201 5.825 5.301 -1.962 645 3HMB HEM 201 HM13 HEM 201 4.396 4.967 -2.945 646 HAB HEM 201 HT2A HEM 201 2.569 2.777 -1.392 647 1HBB HEM 201 HV2C HEM 201 0.989 5.081 -2.493 648 2HBB HEM 201 HV2T HEM 201 0.910 3.255 -2.921 649 1HMC HEM 201 HM31 HEM 201 -1.480 2.574 3.523 650 2HMC HEM 201 HM32 HEM 201 -1.631 3.517 2.030 651 3HMC HEM 201 HM33 HEM 201 -0.316 2.338 2.204 652 HAC HEM 201 HT4A HEM 201 -1.332 3.473 5.955 653 1HBC HEM 201 HV4C HEM 201 -2.050 6.399 5.343 654 2HBC HEM 201 HV4T HEM 201 -2.860 5.262 6.571 655 1HMD HEM 201 HM51 HEM 201 1.755 9.166 8.958 656 2HMD HEM 201 HM52 HEM 201 0.324 8.502 8.182 657 3HMD HEM 201 HM53 HEM 201 1.652 7.433 8.680 658 1HAD HEM 201 HAD1 HEM 201 3.919 9.903 8.427 659 2HAD HEM 201 HAD2 HEM 201 4.523 10.920 7.151 660 1HBD HEM 201 HBD1 HEM 201 2.903 12.472 7.404 661 2HBD HEM 201 HBD2 HEM 201 1.658 11.290 7.807 Start of MODEL 31 1 1H ALA 3 H1 ALA 3 2.716 -8.371 -18.978 2 2H ALA 3 H2 ALA 3 1.701 -9.578 -18.577 3 3H ALA 3 H3 ALA 3 2.083 -9.323 -20.186 4 HA ALA 3 HA ALA 3 1.013 -7.072 -19.853 5 1HB ALA 3 HB1 ALA 3 -0.729 -9.569 -19.546 6 2HB ALA 3 HB2 ALA 3 -1.287 -7.971 -20.079 7 3HB ALA 3 HB3 ALA 3 -0.152 -8.890 -21.085 8 H VAL 4 H VAL 4 -0.741 -6.040 -18.389 9 HA VAL 4 HA VAL 4 0.000 -6.263 -15.639 10 HB VAL 4 HB VAL 4 -0.912 -4.227 -16.617 11 1HG1 VAL 4 HG11 VAL 4 -3.284 -3.915 -17.071 12 2HG1 VAL 4 HG12 VAL 4 -2.676 -5.211 -18.110 13 3HG1 VAL 4 HG13 VAL 4 -3.639 -5.601 -16.669 14 1HG2 VAL 4 HG21 VAL 4 -2.337 -3.567 -14.768 15 2HG2 VAL 4 HG22 VAL 4 -2.673 -5.258 -14.359 16 3HG2 VAL 4 HG23 VAL 4 -1.028 -4.605 -14.181 17 H LYS 5 H LYS 5 -0.944 -7.389 -13.965 18 HA LYS 5 HA LYS 5 -3.076 -9.367 -14.646 19 1HB LYS 5 HB2 LYS 5 -0.742 -10.337 -14.479 20 2HB LYS 5 HB3 LYS 5 -0.721 -9.857 -12.784 21 1HG LYS 5 HG2 LYS 5 -1.880 -11.691 -12.213 22 2HG LYS 5 HG3 LYS 5 -3.221 -11.232 -13.272 23 1HD LYS 5 HD2 LYS 5 -1.881 -12.194 -15.231 24 2HD LYS 5 HD3 LYS 5 -0.760 -12.872 -14.047 25 1HE LYS 5 HE2 LYS 5 -3.750 -13.466 -14.373 26 2HE LYS 5 HE3 LYS 5 -2.410 -14.543 -14.782 27 1HZ LYS 5 HZ1 LYS 5 -3.133 -13.651 -12.066 28 2HZ LYS 5 HZ2 LYS 5 -3.390 -15.142 -12.700 29 3HZ LYS 5 HZ3 LYS 5 -1.854 -14.624 -12.431 30 H TYR 6 H TYR 6 -4.821 -8.477 -13.659 31 HA TYR 6 HA TYR 6 -4.635 -6.792 -11.375 32 1HB TYR 6 HB2 TYR 6 -7.089 -8.296 -12.324 33 2HB TYR 6 HB3 TYR 6 -6.995 -6.819 -11.355 34 HD1 TYR 6 HD1 TYR 6 -7.067 -8.193 -14.739 35 HD2 TYR 6 HD2 TYR 6 -6.296 -4.684 -12.379 36 HE1 TYR 6 HE1 TYR 6 -7.165 -6.794 -16.786 37 HE2 TYR 6 HE2 TYR 6 -6.344 -3.283 -14.435 38 HH TYR 6 HH TYR 6 -6.590 -3.269 -16.724 39 H TYR 7 H TYR 7 -5.483 -7.199 -9.195 40 HA TYR 7 HA TYR 7 -5.221 -10.062 -8.340 41 1HB TYR 7 HB2 TYR 7 -4.602 -7.558 -6.792 42 2HB TYR 7 HB3 TYR 7 -4.305 -9.210 -6.265 43 HD1 TYR 7 HD1 TYR 7 -2.628 -10.645 -7.709 44 HD2 TYR 7 HD2 TYR 7 -2.925 -6.357 -7.964 45 HE1 TYR 7 HE1 TYR 7 -0.436 -10.547 -8.885 46 HE2 TYR 7 HE2 TYR 7 -0.712 -6.253 -8.991 47 HH TYR 7 HH TYR 7 0.938 -7.442 -10.057 48 H THR 8 H THR 8 -6.705 -10.825 -6.910 49 HA THR 8 HA THR 8 -9.286 -9.489 -6.682 50 HB THR 8 HB THR 8 -9.900 -11.564 -5.492 51 HG1 THR 8 HG1 THR 8 -7.820 -13.100 -5.529 52 1HG2 THR 8 HG21 THR 8 -9.853 -11.625 -7.970 53 2HG2 THR 8 HG22 THR 8 -8.173 -12.199 -7.940 54 3HG2 THR 8 HG23 THR 8 -9.463 -13.204 -7.258 55 H LEU 9 H LEU 9 -10.244 -8.900 -4.623 56 HA LEU 9 HA LEU 9 -8.645 -7.597 -2.768 57 1HB LEU 9 HB2 LEU 9 -11.347 -7.973 -3.118 58 2HB LEU 9 HB3 LEU 9 -11.110 -8.897 -1.664 59 HG LEU 9 HG LEU 9 -10.452 -5.956 -2.120 60 1HD1 LEU 9 HD11 LEU 9 -12.308 -7.279 -0.092 61 2HD1 LEU 9 HD12 LEU 9 -12.134 -5.541 -0.421 62 3HD1 LEU 9 HD13 LEU 9 -12.849 -6.608 -1.638 63 1HD2 LEU 9 HD21 LEU 9 -9.813 -5.871 0.301 64 2HD2 LEU 9 HD22 LEU 9 -9.861 -7.644 0.351 65 3HD2 LEU 9 HD23 LEU 9 -8.663 -6.800 -0.656 66 H GLU 10 H GLU 10 -9.819 -10.939 -2.775 67 HA GLU 10 HA GLU 10 -8.871 -11.906 -0.342 68 1HB GLU 10 HB2 GLU 10 -10.288 -13.138 -1.959 69 2HB GLU 10 HB3 GLU 10 -8.901 -13.381 -3.000 70 1HG GLU 10 HG2 GLU 10 -9.375 -15.381 -1.648 71 2HG GLU 10 HG3 GLU 10 -7.768 -14.734 -1.318 72 H GLU 11 H GLU 11 -7.151 -12.267 -3.493 73 HA GLU 11 HA GLU 11 -4.730 -13.198 -2.463 74 1HB GLU 11 HB2 GLU 11 -5.567 -11.771 -4.974 75 2HB GLU 11 HB3 GLU 11 -3.865 -11.809 -4.587 76 1HG GLU 11 HG2 GLU 11 -4.506 -13.713 -6.035 77 2HG GLU 11 HG3 GLU 11 -3.796 -14.218 -4.499 78 H ILE 12 H ILE 12 -5.685 -9.746 -3.008 79 HA ILE 12 HA ILE 12 -3.200 -8.783 -1.987 80 HB ILE 12 HB ILE 12 -5.885 -7.338 -1.952 81 1HG1 ILE 12 HG12 ILE 12 -5.368 -7.957 -4.269 82 2HG1 ILE 12 HG13 ILE 12 -5.034 -6.254 -4.045 83 1HG2 ILE 12 HG21 ILE 12 -3.001 -6.506 -1.520 84 2HG2 ILE 12 HG22 ILE 12 -4.162 -5.368 -2.194 85 3HG2 ILE 12 HG23 ILE 12 -4.438 -6.066 -0.585 86 1HD1 ILE 12 HD11 ILE 12 -2.592 -6.937 -3.641 87 2HD1 ILE 12 HD12 ILE 12 -3.077 -8.565 -4.210 88 3HD1 ILE 12 HD13 ILE 12 -3.180 -7.170 -5.268 89 H GLN 13 H GLN 13 -6.247 -9.494 -0.239 90 HA GLN 13 HA GLN 13 -5.423 -8.642 2.302 91 1HB GLN 13 HB2 GLN 13 -7.508 -10.487 1.209 92 2HB GLN 13 HB3 GLN 13 -7.023 -10.788 2.862 93 1HG GLN 13 HG2 GLN 13 -7.910 -8.088 1.786 94 2HG GLN 13 HG3 GLN 13 -8.952 -9.222 2.663 95 1HE2 GLN 13 HE21 GLN 13 -8.393 -6.502 3.525 96 2HE2 GLN 13 HE22 GLN 13 -7.549 -6.643 5.059 97 H LYS 14 H LYS 14 -4.696 -11.717 0.616 98 HA LYS 14 HA LYS 14 -3.605 -13.017 2.884 99 1HB LYS 14 HB2 LYS 14 -2.811 -13.282 -0.044 100 2HB LYS 14 HB3 LYS 14 -2.302 -14.354 1.265 101 1HG LYS 14 HG2 LYS 14 -4.671 -14.863 1.783 102 2HG LYS 14 HG3 LYS 14 -5.210 -13.870 0.453 103 1HD LYS 14 HD2 LYS 14 -4.619 -15.314 -1.184 104 2HD LYS 14 HD3 LYS 14 -3.182 -15.905 -0.352 105 1HE LYS 14 HE2 LYS 14 -6.070 -16.612 0.392 106 2HE LYS 14 HE3 LYS 14 -5.007 -17.615 -0.609 107 1HZ LYS 14 HZ1 LYS 14 -4.985 -18.351 1.654 108 2HZ LYS 14 HZ2 LYS 14 -3.494 -17.775 1.255 109 3HZ LYS 14 HZ3 LYS 14 -4.503 -16.879 2.196 110 H HIS 15 H HIS 15 -2.278 -10.326 1.096 111 HA HIS 15 HA HIS 15 0.441 -10.746 2.286 112 1HB HIS 15 HB2 HIS 15 -0.524 -9.035 -0.002 113 2HB HIS 15 HB3 HIS 15 1.080 -8.887 0.720 114 HD1 HIS 15 HD1 HIS 15 2.885 -10.360 -0.437 115 HD2 HIS 15 HD2 HIS 15 -1.067 -11.694 -0.970 116 HE1 HIS 15 HE1 HIS 15 2.973 -12.243 -2.146 117 H ASN 16 H ASN 16 -0.930 -10.276 4.281 118 HA ASN 16 HA ASN 16 -0.972 -7.334 4.881 119 1HB ASN 16 HB2 ASN 16 -2.813 -7.685 6.352 120 2HB ASN 16 HB3 ASN 16 -3.244 -8.433 4.819 121 1HD2 ASN 16 HD21 ASN 16 -2.953 -10.815 4.684 122 2HD2 ASN 16 HD22 ASN 16 -3.003 -11.826 6.102 123 H ASN 17 H ASN 17 1.164 -9.736 5.424 124 HA ASN 17 HA ASN 17 1.561 -9.239 8.258 125 1HB ASN 17 HB2 ASN 17 -0.588 -10.810 7.882 126 2HB ASN 17 HB3 ASN 17 0.636 -12.058 7.720 127 1HD2 ASN 17 HD21 ASN 17 -1.501 -11.478 9.813 128 2HD2 ASN 17 HD22 ASN 17 -0.608 -11.453 11.325 129 H SER 18 H SER 18 3.034 -10.999 9.213 130 HA SER 18 HA SER 18 5.063 -11.894 9.317 131 1HB SER 18 HB2 SER 18 4.113 -13.563 7.726 132 2HB SER 18 HB3 SER 18 4.817 -12.682 6.369 133 HG SER 18 HG SER 18 6.869 -13.079 7.278 134 H LYS 19 H LYS 19 5.096 -10.592 6.018 135 HA LYS 19 HA LYS 19 6.528 -8.214 6.780 136 1HB LYS 19 HB2 LYS 19 8.029 -10.435 5.469 137 2HB LYS 19 HB3 LYS 19 8.107 -8.888 4.623 138 1HG LYS 19 HG2 LYS 19 8.800 -7.752 6.711 139 2HG LYS 19 HG3 LYS 19 8.802 -9.317 7.553 140 1HD LYS 19 HD2 LYS 19 10.514 -10.168 6.019 141 2HD LYS 19 HD3 LYS 19 10.536 -8.662 5.107 142 1HE LYS 19 HE2 LYS 19 11.225 -8.845 8.090 143 2HE LYS 19 HE3 LYS 19 12.422 -9.062 6.815 144 1HZ LYS 19 HZ1 LYS 19 12.026 -6.822 6.070 145 2HZ LYS 19 HZ2 LYS 19 10.879 -6.569 7.212 146 3HZ LYS 19 HZ3 LYS 19 12.430 -6.800 7.645 147 H SER 20 H SER 20 5.401 -10.308 4.076 148 HA SER 20 HA SER 20 5.060 -8.436 2.172 149 1HB SER 20 HB2 SER 20 4.009 -11.074 2.596 150 2HB SER 20 HB3 SER 20 2.696 -10.048 2.041 151 HG SER 20 HG SER 20 4.508 -9.293 0.466 152 H THR 21 H THR 21 4.181 -6.551 2.055 153 HA THR 21 HA THR 21 1.689 -5.865 3.539 154 HB THR 21 HB THR 21 4.260 -4.278 3.197 155 HG1 THR 21 HG1 THR 21 4.277 -5.884 4.816 156 1HG2 THR 21 HG21 THR 21 1.653 -3.200 3.478 157 2HG2 THR 21 HG22 THR 21 2.390 -3.131 5.089 158 3HG2 THR 21 HG23 THR 21 3.206 -2.385 3.711 159 H TRP 22 H TRP 22 0.554 -6.367 1.592 160 HA TRP 22 HA TRP 22 0.938 -4.433 -0.663 161 1HB TRP 22 HB2 TRP 22 -0.701 -6.970 -0.425 162 2HB TRP 22 HB3 TRP 22 -0.677 -5.889 -1.795 163 HD1 TRP 22 HD1 TRP 22 2.846 -6.287 -0.851 164 HE1 TRP 22 HE1 TRP 22 4.006 -7.640 -2.669 165 HE3 TRP 22 HE3 TRP 22 -1.241 -8.435 -2.908 166 HZ2 TRP 22 HZ2 TRP 22 3.204 -9.383 -4.877 167 HZ3 TRP 22 HZ3 TRP 22 -1.120 -9.569 -5.098 168 HH2 TRP 22 HH2 TRP 22 1.137 -10.184 -6.037 169 H LEU 23 H LEU 23 -1.207 -3.541 -1.440 170 HA LEU 23 HA LEU 23 -3.511 -3.531 0.212 171 1HB LEU 23 HB2 LEU 23 -3.247 -1.090 0.987 172 2HB LEU 23 HB3 LEU 23 -2.421 -2.348 1.868 173 HG LEU 23 HG LEU 23 -0.324 -1.772 0.370 174 1HD1 LEU 23 HD11 LEU 23 -1.860 0.821 0.254 175 2HD1 LEU 23 HD12 LEU 23 -0.233 0.522 -0.380 176 3HD1 LEU 23 HD13 LEU 23 -1.630 -0.223 -1.172 177 1HD2 LEU 23 HD21 LEU 23 -1.400 0.073 2.509 178 2HD2 LEU 23 HD22 LEU 23 -0.397 -1.377 2.756 179 3HD2 LEU 23 HD23 LEU 23 0.282 0.026 1.900 180 H ILE 24 H ILE 24 -4.928 -1.591 -0.449 181 HA ILE 24 HA ILE 24 -4.704 -1.220 -3.406 182 HB ILE 24 HB ILE 24 -7.130 -1.910 -1.733 183 1HG1 ILE 24 HG12 ILE 24 -6.290 -3.344 -4.252 184 2HG1 ILE 24 HG13 ILE 24 -5.350 -3.650 -2.803 185 1HG2 ILE 24 HG21 ILE 24 -6.928 -1.055 -4.659 186 2HG2 ILE 24 HG22 ILE 24 -8.365 -1.803 -3.937 187 3HG2 ILE 24 HG23 ILE 24 -7.832 -0.216 -3.383 188 1HD1 ILE 24 HD11 ILE 24 -8.379 -3.948 -2.882 189 2HD1 ILE 24 HD12 ILE 24 -7.218 -5.277 -3.083 190 3HD1 ILE 24 HD13 ILE 24 -7.289 -4.384 -1.554 191 H LEU 25 H LEU 25 -4.360 0.851 -3.808 192 HA LEU 25 HA LEU 25 -5.808 2.983 -2.263 193 1HB LEU 25 HB2 LEU 25 -3.077 2.903 -3.497 194 2HB LEU 25 HB3 LEU 25 -3.958 4.402 -3.249 195 HG LEU 25 HG LEU 25 -3.603 4.583 -1.122 196 1HD1 LEU 25 HD11 LEU 25 -3.257 2.748 0.471 197 2HD1 LEU 25 HD12 LEU 25 -4.804 2.729 -0.388 198 3HD1 LEU 25 HD13 LEU 25 -3.522 1.602 -0.882 199 1HD2 LEU 25 HD21 LEU 25 -1.318 3.878 -0.502 200 2HD2 LEU 25 HD22 LEU 25 -1.290 2.706 -1.820 201 3HD2 LEU 25 HD23 LEU 25 -1.384 4.446 -2.177 202 H HIS 26 H HIS 26 -7.523 3.489 -3.496 203 HA HIS 26 HA HIS 26 -8.816 4.021 -5.278 204 1HB HIS 26 HB2 HIS 26 -6.235 4.974 -6.584 205 2HB HIS 26 HB3 HIS 26 -7.879 5.479 -6.988 206 HD1 HIS 26 HD1 HIS 26 -9.072 7.170 -5.198 207 HD2 HIS 26 HD2 HIS 26 -5.090 6.038 -4.440 208 HE1 HIS 26 HE1 HIS 26 -8.215 8.722 -3.382 209 H TYR 27 H TYR 27 -8.435 1.438 -5.243 210 HA TYR 27 HA TYR 27 -8.559 -0.479 -6.436 211 1HB TYR 27 HB2 TYR 27 -8.927 1.229 -8.911 212 2HB TYR 27 HB3 TYR 27 -9.506 -0.400 -8.638 213 HD1 TYR 27 HD1 TYR 27 -10.805 -0.167 -5.926 214 HD2 TYR 27 HD2 TYR 27 -10.892 2.438 -9.368 215 HE1 TYR 27 HE1 TYR 27 -13.180 0.307 -5.508 216 HE2 TYR 27 HE2 TYR 27 -13.261 2.980 -8.876 217 HH TYR 27 HH TYR 27 -15.077 1.412 -6.244 218 H LYS 28 H LYS 28 -5.854 1.125 -6.338 219 HA LYS 28 HA LYS 28 -4.480 -0.360 -8.507 220 1HB LYS 28 HB2 LYS 28 -4.587 2.324 -8.154 221 2HB LYS 28 HB3 LYS 28 -3.251 1.961 -7.082 222 1HG LYS 28 HG2 LYS 28 -1.893 2.010 -8.897 223 2HG LYS 28 HG3 LYS 28 -2.627 0.492 -9.416 224 1HD LYS 28 HD2 LYS 28 -2.932 2.016 -11.256 225 2HD LYS 28 HD3 LYS 28 -4.496 1.873 -10.467 226 1HE LYS 28 HE2 LYS 28 -3.349 4.019 -9.077 227 2HE LYS 28 HE3 LYS 28 -2.599 4.186 -10.663 228 1HZ LYS 28 HZ1 LYS 28 -4.850 4.144 -11.598 229 2HZ LYS 28 HZ2 LYS 28 -5.487 4.062 -10.079 230 3HZ LYS 28 HZ3 LYS 28 -4.646 5.398 -10.542 231 H VAL 29 H VAL 29 -2.903 -1.890 -7.831 232 HA VAL 29 HA VAL 29 -2.699 -2.190 -4.913 233 HB VAL 29 HB VAL 29 -1.761 -4.109 -7.044 234 1HG1 VAL 29 HG11 VAL 29 -1.606 -5.636 -5.262 235 2HG1 VAL 29 HG12 VAL 29 -0.965 -4.167 -4.518 236 3HG1 VAL 29 HG13 VAL 29 -2.625 -4.646 -4.180 237 1HG2 VAL 29 HG21 VAL 29 -4.450 -3.811 -5.667 238 2HG2 VAL 29 HG22 VAL 29 -4.103 -3.965 -7.408 239 3HG2 VAL 29 HG23 VAL 29 -3.882 -5.351 -6.320 240 H TYR 30 H TYR 30 -0.915 -1.759 -3.847 241 HA TYR 30 HA TYR 30 1.623 -1.152 -5.308 242 1HB TYR 30 HB2 TYR 30 0.341 0.195 -2.901 243 2HB TYR 30 HB3 TYR 30 1.982 0.503 -3.444 244 HD1 TYR 30 HD1 TYR 30 -1.491 1.388 -3.892 245 HD2 TYR 30 HD2 TYR 30 2.237 1.153 -5.993 246 HE1 TYR 30 HE1 TYR 30 -2.223 3.240 -5.433 247 HE2 TYR 30 HE2 TYR 30 1.369 2.759 -7.685 248 HH TYR 30 HH TYR 30 -0.006 4.932 -7.253 249 H ASP 31 H ASP 31 3.300 -2.391 -4.670 250 HA ASP 31 HA ASP 31 3.072 -3.940 -2.113 251 1HB ASP 31 HB2 ASP 31 3.566 -5.291 -4.114 252 2HB ASP 31 HB3 ASP 31 5.022 -4.321 -4.418 253 H LEU 32 H LEU 32 3.962 -2.803 -0.457 254 HA LEU 32 HA LEU 32 6.504 -1.344 -0.951 255 1HB LEU 32 HB2 LEU 32 4.475 -0.712 1.159 256 2HB LEU 32 HB3 LEU 32 5.837 0.246 0.738 257 HG LEU 32 HG LEU 32 4.400 -0.016 -1.722 258 1HD1 LEU 32 HD11 LEU 32 2.585 0.873 0.555 259 2HD1 LEU 32 HD12 LEU 32 2.184 0.791 -1.173 260 3HD1 LEU 32 HD13 LEU 32 2.462 -0.696 -0.270 261 1HD2 LEU 32 HD21 LEU 32 4.572 2.384 0.085 262 2HD2 LEU 32 HD22 LEU 32 5.904 1.769 -0.929 263 3HD2 LEU 32 HD23 LEU 32 4.426 2.311 -1.700 264 H THR 33 H THR 33 5.852 -4.222 -0.235 265 HA THR 33 HA THR 33 6.352 -4.865 2.433 266 HB THR 33 HB THR 33 7.261 -6.249 -0.109 267 HG1 THR 33 HG1 THR 33 5.156 -6.110 -0.155 268 1HG2 THR 33 HG21 THR 33 8.515 -7.211 1.730 269 2HG2 THR 33 HG22 THR 33 7.062 -7.282 2.741 270 3HG2 THR 33 HG23 THR 33 7.210 -8.320 1.299 271 H LYS 34 H LYS 34 8.731 -4.074 -0.143 272 HA LYS 34 HA LYS 34 10.917 -4.329 1.838 273 1HB LYS 34 HB2 LYS 34 10.927 -5.306 -0.623 274 2HB LYS 34 HB3 LYS 34 11.326 -3.637 -1.062 275 1HG LYS 34 HG2 LYS 34 13.055 -3.926 0.983 276 2HG LYS 34 HG3 LYS 34 12.832 -5.643 0.632 277 1HD LYS 34 HD2 LYS 34 13.611 -5.252 -1.697 278 2HD LYS 34 HD3 LYS 34 13.676 -3.500 -1.375 279 1HE LYS 34 HE2 LYS 34 15.342 -3.939 0.476 280 2HE LYS 34 HE3 LYS 34 15.370 -5.646 0.004 281 1HZ LYS 34 HZ1 LYS 34 16.156 -3.358 -1.684 282 2HZ LYS 34 HZ2 LYS 34 17.180 -4.401 -0.938 283 3HZ LYS 34 HZ3 LYS 34 16.205 -4.940 -2.149 284 H PHE 35 H PHE 35 8.761 -2.083 1.656 285 HA PHE 35 HA PHE 35 10.692 0.173 1.690 286 1HB PHE 35 HB2 PHE 35 8.751 -0.023 -0.198 287 2HB PHE 35 HB3 PHE 35 7.818 0.520 1.124 288 HD1 PHE 35 HD1 PHE 35 7.237 2.777 0.932 289 HD2 PHE 35 HD2 PHE 35 11.261 1.549 -0.052 290 HE1 PHE 35 HE1 PHE 35 7.865 5.134 0.516 291 HE2 PHE 35 HE2 PHE 35 11.878 3.899 -0.448 292 HZ PHE 35 HZ PHE 35 10.188 5.705 -0.174 293 H LEU 36 H LEU 36 9.073 -1.847 3.696 294 HA LEU 36 HA LEU 36 7.444 -0.207 5.276 295 1HB LEU 36 HB2 LEU 36 9.172 -2.637 5.913 296 2HB LEU 36 HB3 LEU 36 8.059 -1.945 7.089 297 HG LEU 36 HG LEU 36 7.182 -2.924 4.332 298 1HD1 LEU 36 HD11 LEU 36 6.346 -4.902 5.507 299 2HD1 LEU 36 HD12 LEU 36 8.097 -4.765 5.717 300 3HD1 LEU 36 HD13 LEU 36 7.006 -4.304 7.045 301 1HD2 LEU 36 HD21 LEU 36 4.932 -2.926 5.507 302 2HD2 LEU 36 HD22 LEU 36 5.678 -2.001 6.818 303 3HD2 LEU 36 HD23 LEU 36 5.596 -1.334 5.170 304 H GLU 37 H GLU 37 10.814 -1.105 6.051 305 HA GLU 37 HA GLU 37 11.135 0.772 8.166 306 1HB GLU 37 HB2 GLU 37 13.075 -0.761 6.412 307 2HB GLU 37 HB3 GLU 37 13.577 0.172 7.822 308 1HG GLU 37 HG2 GLU 37 12.569 -1.264 9.339 309 2HG GLU 37 HG3 GLU 37 11.350 -1.850 8.214 310 H GLU 38 H GLU 38 11.556 0.993 4.680 311 HA GLU 38 HA GLU 38 13.119 3.384 4.567 312 1HB GLU 38 HB2 GLU 38 11.223 2.116 2.597 313 2HB GLU 38 HB3 GLU 38 12.421 3.324 2.178 314 1HG GLU 38 HG2 GLU 38 13.404 0.753 3.470 315 2HG GLU 38 HG3 GLU 38 12.911 0.746 1.778 316 H HIS 39 HN HIS 39 9.603 2.713 4.409 317 HA HIS 39 HA HIS 39 8.764 5.176 3.406 318 1HB HIS 39 HB2 HIS 39 7.310 3.304 3.334 319 2HB HIS 39 HB3 HIS 39 7.364 3.107 5.083 320 HD1 HIS 39 HND HIS 39 5.333 3.972 6.302 321 HD2 HIS 39 HD HIS 39 5.919 5.747 2.532 322 HE1 HIS 39 HE HIS 39 3.288 5.366 5.851 323 HA PRO 40 HA PRO 40 9.971 7.420 7.129 324 1HB PRO 40 HB2 PRO 40 9.358 9.988 6.382 325 2HB PRO 40 HB3 PRO 40 10.758 9.079 5.743 326 1HG PRO 40 HG2 PRO 40 8.032 9.388 4.460 327 2HG PRO 40 HG3 PRO 40 9.631 9.656 3.706 328 1HD PRO 40 HD2 PRO 40 8.293 7.330 3.404 329 2HD PRO 40 HD3 PRO 40 10.070 7.318 3.621 330 H GLY 41 H GLY 41 6.753 7.348 5.741 331 1HA GLY 41 HA1 GLY 41 5.334 8.640 7.855 332 2HA GLY 41 HA2 GLY 41 4.709 7.459 6.685 333 H GLY 42 H GLY 42 7.005 5.579 7.812 334 1HA GLY 42 HA1 GLY 42 7.281 4.496 9.929 335 2HA GLY 42 HA2 GLY 42 5.573 4.731 10.315 336 H GLU 43 H GLU 43 6.937 2.252 10.353 337 HA GLU 43 HA GLU 43 6.189 0.715 7.964 338 1HB GLU 43 HB2 GLU 43 7.348 -1.069 8.988 339 2HB GLU 43 HB3 GLU 43 8.374 0.363 9.092 340 1HG GLU 43 HG2 GLU 43 6.823 -0.948 11.383 341 2HG GLU 43 HG3 GLU 43 8.547 -1.050 11.062 342 H ALA 44 H ALA 44 5.471 1.026 11.424 343 HA ALA 44 HA ALA 44 3.666 -1.034 11.775 344 1HB ALA 44 HB1 ALA 44 3.594 1.724 13.078 345 2HB ALA 44 HB2 ALA 44 2.799 0.259 13.697 346 3HB ALA 44 HB3 ALA 44 4.570 0.336 13.597 347 H VAL 45 H VAL 45 2.771 2.348 10.943 348 HA VAL 45 HA VAL 45 0.013 1.869 10.674 349 HB VAL 45 HB VAL 45 0.957 4.075 10.922 350 1HG1 VAL 45 HG11 VAL 45 2.978 3.892 9.479 351 2HG1 VAL 45 HG12 VAL 45 1.939 3.924 8.036 352 3HG1 VAL 45 HG13 VAL 45 2.003 5.319 9.120 353 1HG2 VAL 45 HG21 VAL 45 -1.302 3.793 9.939 354 2HG2 VAL 45 HG22 VAL 45 -0.495 5.270 9.380 355 3HG2 VAL 45 HG23 VAL 45 -0.587 3.854 8.317 356 H LEU 46 H LEU 46 2.601 1.638 8.200 357 HA LEU 46 HA LEU 46 0.875 0.987 6.037 358 1HB LEU 46 HB2 LEU 46 3.790 0.855 6.613 359 2HB LEU 46 HB3 LEU 46 3.247 -0.431 5.543 360 HG LEU 46 HG LEU 46 2.735 2.525 5.042 361 1HD1 LEU 46 HD11 LEU 46 5.158 1.862 4.932 362 2HD1 LEU 46 HD12 LEU 46 4.741 0.610 3.750 363 3HD1 LEU 46 HD13 LEU 46 4.503 2.321 3.345 364 1HD2 LEU 46 HD21 LEU 46 2.185 1.746 2.745 365 2HD2 LEU 46 HD22 LEU 46 2.385 0.058 3.262 366 3HD2 LEU 46 HD23 LEU 46 1.064 1.046 3.911 367 H ARG 47 H ARG 47 2.490 -1.042 8.483 368 HA ARG 47 HA ARG 47 1.783 -3.563 7.316 369 1HB ARG 47 HB2 ARG 47 3.587 -2.997 9.087 370 2HB ARG 47 HB3 ARG 47 2.273 -3.013 10.261 371 1HG ARG 47 HG2 ARG 47 3.244 -5.155 10.349 372 2HG ARG 47 HG3 ARG 47 1.728 -5.387 9.492 373 1HD ARG 47 HD2 ARG 47 2.741 -6.003 7.545 374 2HD ARG 47 HD3 ARG 47 3.998 -4.791 7.642 375 HE ARG 47 HE ARG 47 4.200 -7.547 8.394 376 1HH1 ARG 47 HH11 ARG 47 7.225 -7.171 10.206 377 2HH1 ARG 47 HH12 ARG 47 6.237 -8.308 9.354 378 1HH2 ARG 47 HH21 ARG 47 6.727 -4.851 10.141 379 2HH2 ARG 47 HH22 ARG 47 5.243 -4.356 9.384 380 H ALA 48 H ALA 48 0.268 -1.408 9.685 381 HA ALA 48 HA ALA 48 -1.863 -3.114 10.495 382 1HB ALA 48 HB1 ALA 48 -1.617 -0.079 10.438 383 2HB ALA 48 HB2 ALA 48 -2.809 -1.006 11.382 384 3HB ALA 48 HB3 ALA 48 -1.068 -1.145 11.738 385 H GLN 49 H GLN 49 -1.667 -0.529 7.985 386 HA GLN 49 HA GLN 49 -4.387 -1.084 7.079 387 1HB GLN 49 HB2 GLN 49 -2.192 0.865 6.501 388 2HB GLN 49 HB3 GLN 49 -3.297 0.564 5.175 389 1HG GLN 49 HG2 GLN 49 -4.216 1.362 7.964 390 2HG GLN 49 HG3 GLN 49 -4.019 2.469 6.590 391 1HE2 GLN 49 HE21 GLN 49 -6.578 2.415 7.687 392 2HE2 GLN 49 HE22 GLN 49 -7.616 1.503 6.593 393 H ALA 50 H ALA 50 -1.306 -2.448 6.333 394 HA ALA 50 HA ALA 50 -1.609 -3.303 3.745 395 1HB ALA 50 HB1 ALA 50 0.283 -3.874 5.314 396 2HB ALA 50 HB2 ALA 50 -0.743 -5.139 6.016 397 3HB ALA 50 HB3 ALA 50 -0.283 -5.220 4.303 398 H GLY 51 H GLY 51 -2.667 -4.981 2.671 399 1HA GLY 51 HA1 GLY 51 -3.901 -7.062 2.772 400 2HA GLY 51 HA2 GLY 51 -4.879 -6.435 4.108 401 H GLY 52 H GLY 52 -5.085 -3.674 2.863 402 1HA GLY 52 HA1 GLY 52 -6.047 -3.235 0.451 403 2HA GLY 52 HA2 GLY 52 -7.306 -4.352 1.009 404 H ASP 53 H ASP 53 -8.426 -2.200 0.468 405 HA ASP 53 HA ASP 53 -9.382 -0.246 1.006 406 1HB ASP 53 HB2 ASP 53 -10.754 -2.012 2.105 407 2HB ASP 53 HB3 ASP 53 -9.876 -1.716 3.619 408 H ALA 54 H ALA 54 -6.845 0.359 1.134 409 HA ALA 54 HA ALA 54 -6.479 1.962 3.652 410 1HB ALA 54 HB1 ALA 54 -4.629 0.403 3.227 411 2HB ALA 54 HB2 ALA 54 -4.439 1.061 1.595 412 3HB ALA 54 HB3 ALA 54 -4.138 2.110 3.007 413 H THR 55 H THR 55 -7.851 2.287 0.692 414 HA THR 55 HA THR 55 -6.478 4.452 -0.489 415 HB THR 55 HB THR 55 -9.459 3.779 -0.563 416 HG1 THR 55 HG1 THR 55 -7.674 2.198 -1.323 417 1HG2 THR 55 HG21 THR 55 -9.023 6.047 -1.444 418 2HG2 THR 55 HG22 THR 55 -7.672 5.415 -2.406 419 3HG2 THR 55 HG23 THR 55 -9.344 4.934 -2.786 420 H ALA 56 H ALA 56 -9.256 4.456 1.778 421 HA ALA 56 HA ALA 56 -9.527 7.258 2.024 422 1HB ALA 56 HB1 ALA 56 -10.754 6.735 4.100 423 2HB ALA 56 HB2 ALA 56 -11.228 5.645 2.783 424 3HB ALA 56 HB3 ALA 56 -10.137 5.069 4.063 425 H ASN 57 H ASN 57 -7.553 4.945 3.881 426 HA ASN 57 HA ASN 57 -6.625 6.820 5.825 427 1HB ASN 57 HB2 ASN 57 -6.338 4.008 5.287 428 2HB ASN 57 HB3 ASN 57 -4.718 4.669 5.400 429 1HD2 ASN 57 HD21 ASN 57 -7.911 4.676 7.094 430 2HD2 ASN 57 HD22 ASN 57 -7.217 4.801 8.702 431 H PHE 58 H PHE 58 -5.090 5.530 2.850 432 HA PHE 58 HA PHE 58 -2.720 7.028 2.837 433 1HB PHE 58 HB2 PHE 58 -3.206 5.250 1.263 434 2HB PHE 58 HB3 PHE 58 -4.549 6.150 0.575 435 HD1 PHE 58 HD1 PHE 58 -0.833 6.163 0.953 436 HD2 PHE 58 HD2 PHE 58 -4.221 7.821 -1.147 437 HE1 PHE 58 HE1 PHE 58 0.686 7.128 -0.753 438 HE2 PHE 58 HE2 PHE 58 -2.720 8.788 -2.817 439 HZ PHE 58 HZ PHE 58 -0.252 8.413 -2.667 440 H GLU 59 H GLU 59 -5.899 7.936 1.396 441 HA GLU 59 HA GLU 59 -5.137 10.562 0.621 442 1HB GLU 59 HB2 GLU 59 -7.834 9.366 1.318 443 2HB GLU 59 HB3 GLU 59 -7.620 10.961 0.577 444 1HG GLU 59 HG2 GLU 59 -6.554 8.403 -0.706 445 2HG GLU 59 HG3 GLU 59 -8.148 9.087 -1.027 446 H ALA 60 H ALA 60 -6.602 9.358 3.656 447 HA ALA 60 HA ALA 60 -7.093 11.829 4.887 448 1HB ALA 60 HB1 ALA 60 -7.045 10.602 7.003 449 2HB ALA 60 HB2 ALA 60 -7.891 9.655 5.764 450 3HB ALA 60 HB3 ALA 60 -6.233 9.230 6.233 451 H VAL 61 H VAL 61 -4.072 9.904 4.777 452 HA VAL 61 HA VAL 61 -2.503 11.763 6.338 453 HB VAL 61 HB VAL 61 -1.739 9.750 4.197 454 1HG1 VAL 61 HG11 VAL 61 0.025 11.464 4.257 455 2HG1 VAL 61 HG12 VAL 61 0.046 11.396 6.030 456 3HG1 VAL 61 HG13 VAL 61 0.579 10.006 5.064 457 1HG2 VAL 61 HG21 VAL 61 -2.693 8.818 6.311 458 2HG2 VAL 61 HG22 VAL 61 -0.991 8.412 6.091 459 3HG2 VAL 61 HG23 VAL 61 -1.452 9.694 7.228 460 H GLY 62 H GLY 62 -2.965 11.407 2.773 461 1HA GLY 62 HA1 GLY 62 -3.513 13.583 1.679 462 2HA GLY 62 HA2 GLY 62 -2.078 14.277 2.436 463 H HIS 63 HN HIS 63 -0.034 12.851 2.071 464 HA HIS 63 HA HIS 63 1.584 12.157 0.675 465 1HB HIS 63 HB2 HIS 63 -0.739 10.624 -0.529 466 2HB HIS 63 HB3 HIS 63 0.935 10.406 -1.012 467 HD1 HIS 63 HND HIS 63 -1.410 9.460 1.831 468 HD2 HIS 63 HD HIS 63 2.659 9.367 0.764 469 HE1 HIS 63 HE HIS 63 -0.274 7.825 3.417 470 H SER 64 H SER 64 2.497 13.840 -0.315 471 HA SER 64 HA SER 64 1.217 15.479 -2.247 472 1HB SER 64 HB2 SER 64 3.084 16.188 -0.754 473 2HB SER 64 HB3 SER 64 4.204 15.201 -1.715 474 HG SER 64 HG SER 64 4.080 17.445 -2.353 475 H THR 65 H THR 65 2.524 16.013 -4.352 476 HA THR 65 HA THR 65 1.794 14.127 -6.275 477 HB THR 65 HB THR 65 4.019 16.169 -6.604 478 HG1 THR 65 HG1 THR 65 2.351 17.676 -6.882 479 1HG2 THR 65 HG21 THR 65 1.826 15.223 -8.506 480 2HG2 THR 65 HG22 THR 65 3.077 16.431 -8.867 481 3HG2 THR 65 HG23 THR 65 3.536 14.744 -8.582 482 H ASP 66 H ASP 66 5.021 14.808 -4.880 483 HA ASP 66 HA ASP 66 6.639 12.980 -6.260 484 1HB ASP 66 HB2 ASP 66 7.312 14.681 -4.488 485 2HB ASP 66 HB3 ASP 66 6.651 13.642 -3.243 486 H ALA 67 H ALA 67 4.822 12.506 -3.299 487 HA ALA 67 HA ALA 67 5.421 9.731 -2.942 488 1HB ALA 67 HB1 ALA 67 2.986 11.237 -1.919 489 2HB ALA 67 HB2 ALA 67 3.588 9.674 -1.345 490 3HB ALA 67 HB3 ALA 67 4.563 11.141 -1.112 491 H ARG 68 H ARG 68 2.739 11.382 -4.597 492 HA ARG 68 HA ARG 68 1.261 9.006 -5.316 493 1HB ARG 68 HB2 ARG 68 1.325 11.864 -6.308 494 2HB ARG 68 HB3 ARG 68 0.333 10.641 -7.111 495 1HG ARG 68 HG2 ARG 68 -1.101 10.382 -5.336 496 2HG ARG 68 HG3 ARG 68 0.124 10.755 -4.119 497 1HD ARG 68 HD2 ARG 68 -1.632 12.419 -4.196 498 2HD ARG 68 HD3 ARG 68 -0.018 13.090 -4.494 499 HE ARG 68 HE ARG 68 -1.004 12.600 -7.029 500 1HH1 ARG 68 HH11 ARG 68 -2.679 15.684 -7.499 501 2HH1 ARG 68 HH12 ARG 68 -1.917 14.341 -8.288 502 1HH2 ARG 68 HH21 ARG 68 -2.761 15.758 -5.117 503 2HH2 ARG 68 HH22 ARG 68 -2.019 14.465 -4.226 504 H GLU 69 H GLU 69 3.997 10.738 -6.856 505 HA GLU 69 HA GLU 69 3.839 9.150 -9.292 506 1HB GLU 69 HB2 GLU 69 5.649 11.174 -8.063 507 2HB GLU 69 HB3 GLU 69 6.305 10.221 -9.382 508 1HG GLU 69 HG2 GLU 69 3.663 11.764 -9.510 509 2HG GLU 69 HG3 GLU 69 5.213 12.377 -10.093 510 H LEU 70 H LEU 70 5.885 9.200 -6.424 511 HA LEU 70 HA LEU 70 7.462 7.031 -6.819 512 1HB LEU 70 HB2 LEU 70 7.614 8.717 -5.032 513 2HB LEU 70 HB3 LEU 70 6.228 7.968 -4.239 514 HG LEU 70 HG LEU 70 7.411 6.485 -3.184 515 1HD1 LEU 70 HD11 LEU 70 9.326 5.205 -4.097 516 2HD1 LEU 70 HD12 LEU 70 7.737 5.063 -4.870 517 3HD1 LEU 70 HD13 LEU 70 9.032 6.027 -5.652 518 1HD2 LEU 70 HD21 LEU 70 9.797 8.137 -4.085 519 2HD2 LEU 70 HD22 LEU 70 8.684 8.575 -2.769 520 3HD2 LEU 70 HD23 LEU 70 9.697 7.126 -2.627 521 H SER 71 H SER 71 4.305 6.968 -5.161 522 HA SER 71 HA SER 71 3.789 4.324 -4.837 523 1HB SER 71 HB2 SER 71 1.560 4.613 -4.932 524 2HB SER 71 HB3 SER 71 2.105 6.256 -4.562 525 HG SER 71 HG SER 71 1.711 6.731 -6.774 526 H LYS 72 H LYS 72 3.529 5.891 -8.131 527 HA LYS 72 HA LYS 72 2.710 3.501 -9.427 528 1HB LYS 72 HB2 LYS 72 4.066 6.004 -10.499 529 2HB LYS 72 HB3 LYS 72 3.733 4.580 -11.478 530 1HG LYS 72 HG2 LYS 72 1.317 4.718 -10.738 531 2HG LYS 72 HG3 LYS 72 1.676 6.312 -10.048 532 1HD LYS 72 HD2 LYS 72 2.187 7.249 -12.177 533 2HD LYS 72 HD3 LYS 72 2.477 5.662 -12.908 534 1HE LYS 72 HE2 LYS 72 0.031 5.115 -12.661 535 2HE LYS 72 HE3 LYS 72 -0.245 6.791 -12.147 536 1HZ LYS 72 HZ1 LYS 72 0.902 5.928 -14.728 537 2HZ LYS 72 HZ2 LYS 72 -0.632 6.463 -14.501 538 3HZ LYS 72 HZ3 LYS 72 0.637 7.490 -14.283 539 H THR 73 H THR 73 5.963 4.621 -8.477 540 HA THR 73 HA THR 73 7.400 2.676 -10.031 541 HB THR 73 HB THR 73 8.200 4.120 -7.463 542 HG1 THR 73 HG1 THR 73 8.484 4.742 -10.213 543 1HG2 THR 73 HG21 THR 73 9.713 2.304 -7.758 544 2HG2 THR 73 HG22 THR 73 9.868 2.627 -9.505 545 3HG2 THR 73 HG23 THR 73 10.512 3.780 -8.312 546 H PHE 74 H PHE 74 5.547 2.512 -7.117 547 HA PHE 74 HA PHE 74 6.487 -0.266 -6.524 548 1HB PHE 74 HB2 PHE 74 4.851 1.743 -4.922 549 2HB PHE 74 HB3 PHE 74 5.023 0.056 -4.465 550 HD1 PHE 74 HD1 PHE 74 7.467 -0.917 -4.450 551 HD2 PHE 74 HD2 PHE 74 6.388 3.211 -3.804 552 HE1 PHE 74 HE1 PHE 74 9.627 -0.534 -3.302 553 HE2 PHE 74 HE2 PHE 74 8.497 3.543 -2.523 554 HZ PHE 74 HZ PHE 74 10.150 1.701 -2.376 555 H ILE 75 H ILE 75 4.391 1.003 -8.685 556 HA ILE 75 HA ILE 75 1.951 -0.333 -7.991 557 HB ILE 75 HB ILE 75 2.470 1.458 -9.800 558 1HG1 ILE 75 HG12 ILE 75 0.372 -0.695 -10.038 559 2HG1 ILE 75 HG13 ILE 75 0.335 0.809 -9.077 560 1HG2 ILE 75 HG21 ILE 75 3.961 -0.079 -11.160 561 2HG2 ILE 75 HG22 ILE 75 2.496 -1.021 -11.541 562 3HG2 ILE 75 HG23 ILE 75 2.655 0.675 -12.063 563 1HD1 ILE 75 HD11 ILE 75 0.524 2.148 -11.109 564 2HD1 ILE 75 HD12 ILE 75 0.434 0.663 -12.103 565 3HD1 ILE 75 HD13 ILE 75 -0.931 1.121 -11.091 566 H ILE 76 H ILE 76 1.415 -2.490 -8.104 567 HA ILE 76 HA ILE 76 3.208 -4.309 -9.707 568 HB ILE 76 HB ILE 76 2.365 -6.059 -8.145 569 1HG1 ILE 76 HG12 ILE 76 1.603 -3.762 -6.283 570 2HG1 ILE 76 HG13 ILE 76 0.420 -4.525 -7.338 571 1HG2 ILE 76 HG21 ILE 76 3.963 -3.795 -6.846 572 2HG2 ILE 76 HG22 ILE 76 4.049 -5.520 -6.441 573 3HG2 ILE 76 HG23 ILE 76 4.625 -4.958 -8.007 574 1HD1 ILE 76 HD11 ILE 76 2.126 -6.284 -5.598 575 2HD1 ILE 76 HD12 ILE 76 0.765 -5.394 -4.912 576 3HD1 ILE 76 HD13 ILE 76 0.492 -6.537 -6.251 577 H GLY 77 H GLY 77 0.076 -2.919 -9.519 578 1HA GLY 77 HA1 GLY 77 -0.893 -3.557 -11.912 579 2HA GLY 77 HA2 GLY 77 -1.309 -5.020 -10.987 580 H GLU 78 H GLU 78 -3.449 -4.368 -11.357 581 HA GLU 78 HA GLU 78 -4.475 -2.250 -9.548 582 1HB GLU 78 HB2 GLU 78 -4.998 -2.815 -12.469 583 2HB GLU 78 HB3 GLU 78 -6.352 -2.358 -11.455 584 1HG GLU 78 HG2 GLU 78 -5.793 -0.275 -12.056 585 2HG GLU 78 HG3 GLU 78 -4.657 -0.392 -10.721 586 H LEU 79 H LEU 79 -6.756 -2.522 -9.102 587 HA LEU 79 HA LEU 79 -7.194 -5.040 -7.786 588 1HB LEU 79 HB2 LEU 79 -7.955 -2.843 -6.937 589 2HB LEU 79 HB3 LEU 79 -8.921 -2.630 -8.408 590 HG LEU 79 HG LEU 79 -10.285 -4.646 -7.729 591 1HD1 LEU 79 HD11 LEU 79 -10.171 -5.290 -5.306 592 2HD1 LEU 79 HD12 LEU 79 -8.706 -5.747 -6.183 593 3HD1 LEU 79 HD13 LEU 79 -8.705 -4.307 -5.147 594 1HD2 LEU 79 HD21 LEU 79 -11.701 -3.349 -6.474 595 2HD2 LEU 79 HD22 LEU 79 -10.387 -2.536 -5.590 596 3HD2 LEU 79 HD23 LEU 79 -10.740 -2.139 -7.288 597 H HIS 80 H HIS 80 -8.473 -6.751 -8.452 598 HA HIS 80 HA HIS 80 -9.095 -7.189 -11.167 599 1HB HIS 80 HB2 HIS 80 -8.909 -8.807 -9.153 600 2HB HIS 80 HB3 HIS 80 -10.623 -8.510 -8.912 601 HD1 HIS 80 HD1 HIS 80 -12.173 -9.851 -10.691 602 HD2 HIS 80 HD2 HIS 80 -8.023 -10.125 -11.284 603 HE1 HIS 80 HE1 HIS 80 -11.827 -11.610 -12.464 604 HA PRO 81 HA PRO 81 -12.743 -4.712 -11.665 605 1HB PRO 81 HB2 PRO 81 -13.857 -5.847 -13.897 606 2HB PRO 81 HB3 PRO 81 -12.401 -4.811 -13.918 607 1HG PRO 81 HG2 PRO 81 -12.492 -7.847 -13.852 608 2HG PRO 81 HG3 PRO 81 -11.549 -6.810 -14.969 609 1HD PRO 81 HD2 PRO 81 -10.436 -7.895 -12.797 610 2HD PRO 81 HD3 PRO 81 -10.036 -6.210 -13.239 611 H ASP 82 H ASP 82 -12.760 -8.070 -10.845 612 HA ASP 82 HA ASP 82 -15.630 -8.480 -10.766 613 1HB ASP 82 HB2 ASP 82 -14.025 -10.351 -10.879 614 2HB ASP 82 HB3 ASP 82 -13.402 -9.903 -9.247 615 H ASP 83 H ASP 83 -13.187 -7.233 -8.543 616 HA ASP 83 HA ASP 83 -14.782 -7.169 -6.152 617 1HB ASP 83 HB2 ASP 83 -12.357 -7.096 -6.096 618 2HB ASP 83 HB3 ASP 83 -12.354 -5.590 -7.035 619 H ARG 84 H ARG 84 -14.287 -4.948 -8.828 620 HA ARG 84 HA ARG 84 -15.100 -2.570 -7.646 621 1HB ARG 84 HB2 ARG 84 -14.362 -3.474 -10.302 622 2HB ARG 84 HB3 ARG 84 -15.848 -2.551 -10.452 623 1HG ARG 84 HG2 ARG 84 -14.129 -0.983 -10.707 624 2HG ARG 84 HG3 ARG 84 -14.794 -0.720 -9.093 625 1HD ARG 84 HD2 ARG 84 -12.406 -0.657 -8.825 626 2HD ARG 84 HD3 ARG 84 -12.953 -2.174 -8.145 627 HE ARG 84 HE ARG 84 -11.745 -3.346 -9.711 628 1HH1 ARG 84 HH11 ARG 84 -9.787 -2.122 -12.406 629 2HH1 ARG 84 HH12 ARG 84 -9.916 -3.384 -11.230 630 1HH2 ARG 84 HH21 ARG 84 -11.043 -0.132 -12.135 631 2HH2 ARG 84 HH22 ARG 84 -12.245 -0.077 -10.878 632 HHA HEM 201 HGM HEM 201 4.578 10.819 5.248 633 HHB HEM 201 HDM HEM 201 5.751 7.856 -0.380 634 HHC HEM 201 HAM HEM 201 0.910 3.779 0.800 635 HHD HEM 201 HBM HEM 201 0.264 6.231 6.736 636 1HMA HEM 201 HM81 HEM 201 7.073 11.273 0.600 637 2HMA HEM 201 HM82 HEM 201 7.975 9.752 0.758 638 3HMA HEM 201 HM83 HEM 201 6.657 9.911 -0.423 639 1HAA HEM 201 HAA1 HEM 201 6.504 11.703 4.328 640 2HAA HEM 201 HAA2 HEM 201 7.277 11.843 2.767 641 1HBA HEM 201 HBA1 HEM 201 4.556 12.884 3.601 642 2HBA HEM 201 HBA2 HEM 201 4.969 12.662 1.892 643 1HMB HEM 201 HM11 HEM 201 5.867 5.565 -1.796 644 2HMB HEM 201 HM12 HEM 201 4.480 5.102 -2.783 645 3HMB HEM 201 HM13 HEM 201 4.836 6.816 -2.531 646 HAB HEM 201 HT2A HEM 201 2.377 2.960 -1.281 647 1HBB HEM 201 HV2C HEM 201 1.068 5.363 -2.532 648 2HBB HEM 201 HV2T HEM 201 0.803 3.526 -2.835 649 1HMC HEM 201 HM31 HEM 201 -1.241 2.283 3.567 650 2HMC HEM 201 HM32 HEM 201 -1.892 3.427 2.381 651 3HMC HEM 201 HM33 HEM 201 -0.469 2.437 1.983 652 HAC HEM 201 HT4A HEM 201 -1.177 3.299 6.132 653 1HBC HEM 201 HV4C HEM 201 -2.286 6.086 5.484 654 2HBC HEM 201 HV4T HEM 201 -2.578 5.066 7.019 655 1HMD HEM 201 HM51 HEM 201 0.487 7.482 8.488 656 2HMD HEM 201 HM52 HEM 201 1.947 8.139 9.232 657 3HMD HEM 201 HM53 HEM 201 0.659 9.228 8.678 658 1HAD HEM 201 HAD1 HEM 201 3.437 9.961 8.746 659 2HAD HEM 201 HAD2 HEM 201 4.312 10.792 7.477 660 1HBD HEM 201 HBD1 HEM 201 1.423 11.392 7.920 661 2HBD HEM 201 HBD2 HEM 201 2.674 12.122 8.931 Start of MODEL 32 1 1H ALA 3 H1 ALA 3 3.424 -4.711 -18.557 2 2H ALA 3 H2 ALA 3 4.263 -5.964 -19.203 3 3H ALA 3 H3 ALA 3 3.390 -4.963 -20.208 4 HA ALA 3 HA ALA 3 1.466 -5.982 -19.787 5 1HB ALA 3 HB1 ALA 3 1.646 -8.299 -18.895 6 2HB ALA 3 HB2 ALA 3 2.920 -7.982 -20.086 7 3HB ALA 3 HB3 ALA 3 3.302 -7.968 -18.350 8 H VAL 4 H VAL 4 -0.035 -6.850 -17.863 9 HA VAL 4 HA VAL 4 0.713 -5.831 -15.242 10 HB VAL 4 HB VAL 4 -1.378 -4.562 -14.985 11 1HG1 VAL 4 HG11 VAL 4 0.222 -3.437 -17.317 12 2HG1 VAL 4 HG12 VAL 4 -0.758 -2.539 -16.149 13 3HG1 VAL 4 HG13 VAL 4 0.714 -3.365 -15.609 14 1HG2 VAL 4 HG21 VAL 4 -2.722 -3.850 -16.917 15 2HG2 VAL 4 HG22 VAL 4 -1.769 -4.884 -17.995 16 3HG2 VAL 4 HG23 VAL 4 -2.785 -5.605 -16.727 17 H LYS 5 H LYS 5 -0.903 -6.671 -13.638 18 HA LYS 5 HA LYS 5 -2.709 -8.784 -14.584 19 1HB LYS 5 HB2 LYS 5 -0.448 -9.862 -14.080 20 2HB LYS 5 HB3 LYS 5 -0.577 -9.198 -12.449 21 1HG LYS 5 HG2 LYS 5 -2.992 -10.541 -12.659 22 2HG LYS 5 HG3 LYS 5 -1.971 -11.526 -13.717 23 1HD LYS 5 HD2 LYS 5 -0.289 -11.638 -11.787 24 2HD LYS 5 HD3 LYS 5 -1.434 -10.674 -10.849 25 1HE LYS 5 HE2 LYS 5 -2.255 -12.600 -10.064 26 2HE LYS 5 HE3 LYS 5 -3.103 -12.713 -11.605 27 1HZ LYS 5 HZ1 LYS 5 -1.921 -14.720 -11.078 28 2HZ LYS 5 HZ2 LYS 5 -1.247 -14.048 -12.420 29 3HZ LYS 5 HZ3 LYS 5 -0.489 -13.927 -10.961 30 H TYR 6 H TYR 6 -4.545 -8.751 -13.216 31 HA TYR 6 HA TYR 6 -4.558 -6.653 -11.148 32 1HB TYR 6 HB2 TYR 6 -6.924 -8.232 -12.107 33 2HB TYR 6 HB3 TYR 6 -6.842 -6.616 -11.387 34 HD1 TYR 6 HD1 TYR 6 -7.793 -8.093 -14.283 35 HD2 TYR 6 HD2 TYR 6 -4.902 -5.178 -12.982 36 HE1 TYR 6 HE1 TYR 6 -7.783 -7.096 -16.540 37 HE2 TYR 6 HE2 TYR 6 -4.951 -4.126 -15.230 38 HH TYR 6 HH TYR 6 -6.939 -5.430 -17.898 39 H TYR 7 H TYR 7 -5.515 -7.125 -9.017 40 HA TYR 7 HA TYR 7 -5.243 -9.994 -8.189 41 1HB TYR 7 HB2 TYR 7 -4.325 -7.584 -6.607 42 2HB TYR 7 HB3 TYR 7 -4.179 -9.281 -6.164 43 HD1 TYR 7 HD1 TYR 7 -2.541 -10.745 -7.293 44 HD2 TYR 7 HD2 TYR 7 -2.713 -6.513 -8.018 45 HE1 TYR 7 HE1 TYR 7 -0.321 -10.848 -8.395 46 HE2 TYR 7 HE2 TYR 7 -0.578 -6.644 -9.294 47 HH TYR 7 HH TYR 7 1.327 -9.654 -9.510 48 H THR 8 H THR 8 -6.780 -10.726 -6.773 49 HA THR 8 HA THR 8 -9.205 -9.139 -6.492 50 HB THR 8 HB THR 8 -10.155 -11.095 -5.536 51 HG1 THR 8 HG1 THR 8 -7.998 -12.774 -5.502 52 1HG2 THR 8 HG21 THR 8 -8.271 -12.316 -7.578 53 2HG2 THR 8 HG22 THR 8 -10.002 -12.606 -7.315 54 3HG2 THR 8 HG23 THR 8 -9.463 -11.091 -8.045 55 H LEU 9 H LEU 9 -10.189 -8.526 -4.423 56 HA LEU 9 HA LEU 9 -8.521 -7.394 -2.541 57 1HB LEU 9 HB2 LEU 9 -11.305 -7.737 -2.899 58 2HB LEU 9 HB3 LEU 9 -11.009 -8.463 -1.379 59 HG LEU 9 HG LEU 9 -10.133 -5.640 -2.149 60 1HD1 LEU 9 HD11 LEU 9 -11.916 -4.817 -0.757 61 2HD1 LEU 9 HD12 LEU 9 -12.624 -5.963 -1.902 62 3HD1 LEU 9 HD13 LEU 9 -12.344 -6.457 -0.221 63 1HD2 LEU 9 HD21 LEU 9 -10.050 -7.010 0.574 64 2HD2 LEU 9 HD22 LEU 9 -8.634 -6.550 -0.398 65 3HD2 LEU 9 HD23 LEU 9 -9.694 -5.300 0.262 66 H GLU 10 H GLU 10 -9.854 -10.703 -2.670 67 HA GLU 10 HA GLU 10 -8.961 -11.634 -0.168 68 1HB GLU 10 HB2 GLU 10 -10.545 -12.761 -1.775 69 2HB GLU 10 HB3 GLU 10 -9.159 -13.246 -2.736 70 1HG GLU 10 HG2 GLU 10 -9.784 -15.083 -1.278 71 2HG GLU 10 HG3 GLU 10 -8.213 -14.465 -0.767 72 H GLU 11 H GLU 11 -7.417 -12.070 -3.397 73 HA GLU 11 HA GLU 11 -5.046 -13.265 -2.513 74 1HB GLU 11 HB2 GLU 11 -5.880 -11.722 -4.936 75 2HB GLU 11 HB3 GLU 11 -4.176 -11.616 -4.564 76 1HG GLU 11 HG2 GLU 11 -4.412 -13.476 -6.027 77 2HG GLU 11 HG3 GLU 11 -4.061 -14.135 -4.427 78 H ILE 12 H ILE 12 -5.755 -9.778 -2.906 79 HA ILE 12 HA ILE 12 -3.231 -8.886 -1.975 80 HB ILE 12 HB ILE 12 -5.927 -7.474 -1.919 81 1HG1 ILE 12 HG12 ILE 12 -3.742 -7.021 -3.967 82 2HG1 ILE 12 HG13 ILE 12 -4.857 -8.357 -4.209 83 1HG2 ILE 12 HG21 ILE 12 -4.284 -5.427 -2.128 84 2HG2 ILE 12 HG22 ILE 12 -4.473 -6.180 -0.531 85 3HG2 ILE 12 HG23 ILE 12 -3.063 -6.553 -1.552 86 1HD1 ILE 12 HD11 ILE 12 -6.788 -6.895 -4.192 87 2HD1 ILE 12 HD12 ILE 12 -5.779 -5.518 -3.748 88 3HD1 ILE 12 HD13 ILE 12 -5.616 -6.252 -5.337 89 H GLN 13 H GLN 13 -6.295 -9.523 -0.146 90 HA GLN 13 HA GLN 13 -5.470 -8.656 2.384 91 1HB GLN 13 HB2 GLN 13 -7.473 -10.740 1.454 92 2HB GLN 13 HB3 GLN 13 -7.113 -10.444 3.131 93 1HG GLN 13 HG2 GLN 13 -7.622 -7.868 1.994 94 2HG GLN 13 HG3 GLN 13 -8.854 -8.965 1.380 95 1HE2 GLN 13 HE21 GLN 13 -8.068 -7.013 4.050 96 2HE2 GLN 13 HE22 GLN 13 -9.314 -7.648 5.117 97 H LYS 14 H LYS 14 -4.984 -11.874 0.762 98 HA LYS 14 HA LYS 14 -3.847 -13.127 3.025 99 1HB LYS 14 HB2 LYS 14 -3.132 -13.524 0.094 100 2HB LYS 14 HB3 LYS 14 -2.611 -14.543 1.439 101 1HG LYS 14 HG2 LYS 14 -5.109 -14.904 1.967 102 2HG LYS 14 HG3 LYS 14 -5.436 -14.139 0.412 103 1HD LYS 14 HD2 LYS 14 -3.452 -15.984 -0.246 104 2HD LYS 14 HD3 LYS 14 -4.331 -16.834 1.038 105 1HE LYS 14 HE2 LYS 14 -6.477 -16.447 -0.261 106 2HE LYS 14 HE3 LYS 14 -5.534 -15.598 -1.500 107 1HZ LYS 14 HZ1 LYS 14 -5.718 -17.642 -2.352 108 2HZ LYS 14 HZ2 LYS 14 -4.247 -17.770 -1.632 109 3HZ LYS 14 HZ3 LYS 14 -5.570 -18.445 -0.914 110 H HIS 15 H HIS 15 -2.474 -10.628 0.986 111 HA HIS 15 HA HIS 15 0.256 -10.965 2.139 112 1HB HIS 15 HB2 HIS 15 -0.813 -9.216 -0.087 113 2HB HIS 15 HB3 HIS 15 0.833 -9.162 0.546 114 HD1 HIS 15 HD1 HIS 15 2.335 -10.267 -1.208 115 HD2 HIS 15 HD2 HIS 15 -1.368 -12.195 -0.717 116 HE1 HIS 15 HE1 HIS 15 2.251 -12.170 -2.916 117 H ASN 16 H ASN 16 -1.032 -10.581 4.163 118 HA ASN 16 HA ASN 16 -1.106 -7.663 4.880 119 1HB ASN 16 HB2 ASN 16 -2.762 -8.138 6.550 120 2HB ASN 16 HB3 ASN 16 -3.360 -8.755 5.025 121 1HD2 ASN 16 HD21 ASN 16 -3.003 -11.124 4.627 122 2HD2 ASN 16 HD22 ASN 16 -3.024 -12.247 5.966 123 H ASN 17 H ASN 17 1.322 -9.285 4.881 124 HA ASN 17 HA ASN 17 1.792 -9.540 7.842 125 1HB ASN 17 HB2 ASN 17 1.975 -11.646 5.774 126 2HB ASN 17 HB3 ASN 17 3.506 -11.385 6.602 127 1HD2 ASN 17 HD21 ASN 17 0.528 -13.019 6.856 128 2HD2 ASN 17 HD22 ASN 17 0.654 -13.403 8.561 129 H SER 18 H SER 18 4.013 -9.296 8.460 130 HA SER 18 HA SER 18 5.334 -7.073 7.349 131 1HB SER 18 HB2 SER 18 5.745 -8.094 9.608 132 2HB SER 18 HB3 SER 18 6.650 -9.408 8.819 133 HG SER 18 HG SER 18 7.923 -7.563 9.580 134 H LYS 19 H LYS 19 5.616 -10.524 6.615 135 HA LYS 19 HA LYS 19 7.789 -10.429 4.877 136 1HB LYS 19 HB2 LYS 19 6.213 -12.460 5.869 137 2HB LYS 19 HB3 LYS 19 5.598 -12.370 4.218 138 1HG LYS 19 HG2 LYS 19 8.294 -12.242 3.743 139 2HG LYS 19 HG3 LYS 19 8.301 -13.157 5.258 140 1HD LYS 19 HD2 LYS 19 6.915 -14.905 4.229 141 2HD LYS 19 HD3 LYS 19 6.669 -13.895 2.782 142 1HE LYS 19 HE2 LYS 19 9.121 -13.894 2.341 143 2HE LYS 19 HE3 LYS 19 9.383 -14.936 3.749 144 1HZ LYS 19 HZ1 LYS 19 9.350 -16.130 1.669 145 2HZ LYS 19 HZ2 LYS 19 8.127 -16.644 2.639 146 3HZ LYS 19 HZ3 LYS 19 7.810 -15.653 1.358 147 H SER 20 H SER 20 4.492 -9.350 4.280 148 HA SER 20 HA SER 20 5.138 -8.401 1.658 149 1HB SER 20 HB2 SER 20 4.691 -10.864 1.195 150 2HB SER 20 HB3 SER 20 3.023 -10.588 1.722 151 HG SER 20 HG SER 20 3.345 -8.721 0.025 152 H THR 21 H THR 21 4.493 -6.491 2.581 153 HA THR 21 HA THR 21 1.712 -6.050 3.488 154 HB THR 21 HB THR 21 4.245 -4.388 3.334 155 HG1 THR 21 HG1 THR 21 3.722 -5.933 5.041 156 1HG2 THR 21 HG21 THR 21 2.638 -2.691 4.637 157 2HG2 THR 21 HG22 THR 21 2.868 -2.619 2.884 158 3HG2 THR 21 HG23 THR 21 1.428 -3.385 3.548 159 H TRP 22 H TRP 22 0.450 -6.427 1.653 160 HA TRP 22 HA TRP 22 0.848 -4.551 -0.651 161 1HB TRP 22 HB2 TRP 22 -0.875 -7.024 -0.300 162 2HB TRP 22 HB3 TRP 22 -0.929 -5.926 -1.675 163 HD1 TRP 22 HD1 TRP 22 2.609 -6.503 -0.703 164 HE1 TRP 22 HE1 TRP 22 3.757 -7.812 -2.420 165 HE3 TRP 22 HE3 TRP 22 -1.528 -8.072 -3.262 166 HZ2 TRP 22 HZ2 TRP 22 3.002 -9.504 -4.744 167 HZ3 TRP 22 HZ3 TRP 22 -1.297 -9.568 -5.191 168 HH2 TRP 22 HH2 TRP 22 0.976 -10.255 -5.996 169 H LEU 23 H LEU 23 -1.410 -3.671 -1.392 170 HA LEU 23 HA LEU 23 -3.582 -3.495 0.365 171 1HB LEU 23 HB2 LEU 23 -3.217 -0.972 0.940 172 2HB LEU 23 HB3 LEU 23 -2.559 -2.224 1.953 173 HG LEU 23 HG LEU 23 -0.306 -1.936 0.750 174 1HD1 LEU 23 HD11 LEU 23 -1.704 0.551 -0.238 175 2HD1 LEU 23 HD12 LEU 23 0.029 0.248 -0.355 176 3HD1 LEU 23 HD13 LEU 23 -1.100 -0.757 -1.282 177 1HD2 LEU 23 HD21 LEU 23 -0.702 -1.019 2.958 178 2HD2 LEU 23 HD22 LEU 23 0.249 0.106 1.955 179 3HD2 LEU 23 HD23 LEU 23 -1.494 0.403 2.234 180 H ILE 24 H ILE 24 -5.057 -1.667 -0.383 181 HA ILE 24 HA ILE 24 -4.657 -1.171 -3.315 182 HB ILE 24 HB ILE 24 -7.179 -1.629 -1.728 183 1HG1 ILE 24 HG12 ILE 24 -6.420 -3.145 -4.196 184 2HG1 ILE 24 HG13 ILE 24 -5.609 -3.555 -2.686 185 1HG2 ILE 24 HG21 ILE 24 -6.756 -0.573 -4.537 186 2HG2 ILE 24 HG22 ILE 24 -8.229 -1.458 -4.106 187 3HG2 ILE 24 HG23 ILE 24 -7.836 0.048 -3.267 188 1HD1 ILE 24 HD11 ILE 24 -7.565 -4.160 -1.549 189 2HD1 ILE 24 HD12 ILE 24 -8.632 -3.304 -2.675 190 3HD1 ILE 24 HD13 ILE 24 -7.855 -4.812 -3.170 191 H LEU 25 H LEU 25 -4.187 0.908 -3.724 192 HA LEU 25 HA LEU 25 -5.445 3.105 -2.115 193 1HB LEU 25 HB2 LEU 25 -2.659 2.848 -3.264 194 2HB LEU 25 HB3 LEU 25 -3.416 4.389 -2.957 195 HG LEU 25 HG LEU 25 -2.906 4.456 -0.894 196 1HD1 LEU 25 HD11 LEU 25 -3.560 1.551 -0.522 197 2HD1 LEU 25 HD12 LEU 25 -3.102 2.688 0.761 198 3HD1 LEU 25 HD13 LEU 25 -4.555 2.984 -0.190 199 1HD2 LEU 25 HD21 LEU 25 -0.900 3.050 -0.212 200 2HD2 LEU 25 HD22 LEU 25 -1.103 2.148 -1.717 201 3HD2 LEU 25 HD23 LEU 25 -0.741 3.876 -1.772 202 H HIS 26 H HIS 26 -7.113 3.585 -3.403 203 HA HIS 26 HA HIS 26 -8.255 4.452 -5.123 204 1HB HIS 26 HB2 HIS 26 -5.645 5.292 -6.411 205 2HB HIS 26 HB3 HIS 26 -7.258 5.956 -6.686 206 HD1 HIS 26 HD1 HIS 26 -8.164 7.653 -4.720 207 HD2 HIS 26 HD2 HIS 26 -4.290 6.084 -4.329 208 HE1 HIS 26 HE1 HIS 26 -6.983 9.074 -2.959 209 H TYR 27 H TYR 27 -8.135 1.888 -5.226 210 HA TYR 27 HA TYR 27 -8.544 0.057 -6.417 211 1HB TYR 27 HB2 TYR 27 -8.696 1.907 -8.820 212 2HB TYR 27 HB3 TYR 27 -9.301 0.261 -8.708 213 HD1 TYR 27 HD1 TYR 27 -11.499 -0.187 -7.961 214 HD2 TYR 27 HD2 TYR 27 -9.806 3.724 -7.345 215 HE1 TYR 27 HE1 TYR 27 -13.658 0.607 -7.056 216 HE2 TYR 27 HE2 TYR 27 -11.946 4.503 -6.403 217 HH TYR 27 HH TYR 27 -14.128 3.950 -5.884 218 H LYS 28 H LYS 28 -5.658 1.161 -6.243 219 HA LYS 28 HA LYS 28 -4.422 -0.508 -8.387 220 1HB LYS 28 HB2 LYS 28 -3.590 2.151 -7.219 221 2HB LYS 28 HB3 LYS 28 -2.566 1.151 -8.258 222 1HG LYS 28 HG2 LYS 28 -4.261 1.341 -10.075 223 2HG LYS 28 HG3 LYS 28 -5.342 2.190 -8.999 224 1HD LYS 28 HD2 LYS 28 -3.179 3.851 -8.828 225 2HD LYS 28 HD3 LYS 28 -2.875 3.120 -10.405 226 1HE LYS 28 HE2 LYS 28 -4.222 4.864 -11.094 227 2HE LYS 28 HE3 LYS 28 -5.468 3.645 -10.817 228 1HZ LYS 28 HZ1 LYS 28 -6.010 5.745 -9.792 229 2HZ LYS 28 HZ2 LYS 28 -5.841 4.576 -8.633 230 3HZ LYS 28 HZ3 LYS 28 -4.645 5.709 -8.881 231 H VAL 29 H VAL 29 -2.845 -1.950 -7.705 232 HA VAL 29 HA VAL 29 -2.629 -2.263 -4.785 233 HB VAL 29 HB VAL 29 -1.778 -4.224 -6.919 234 1HG1 VAL 29 HG11 VAL 29 -0.949 -4.533 -4.520 235 2HG1 VAL 29 HG12 VAL 29 -2.638 -4.623 -4.011 236 3HG1 VAL 29 HG13 VAL 29 -1.972 -5.850 -5.108 237 1HG2 VAL 29 HG21 VAL 29 -3.929 -5.344 -6.505 238 2HG2 VAL 29 HG22 VAL 29 -4.481 -3.936 -5.569 239 3HG2 VAL 29 HG23 VAL 29 -4.123 -3.788 -7.307 240 H TYR 30 H TYR 30 -0.761 -2.079 -3.705 241 HA TYR 30 HA TYR 30 1.764 -1.472 -5.199 242 1HB TYR 30 HB2 TYR 30 0.643 -0.203 -2.684 243 2HB TYR 30 HB3 TYR 30 2.213 0.153 -3.363 244 HD1 TYR 30 HD1 TYR 30 2.312 1.199 -5.696 245 HD2 TYR 30 HD2 TYR 30 -1.424 0.580 -3.693 246 HE1 TYR 30 HE1 TYR 30 1.180 2.814 -7.258 247 HE2 TYR 30 HE2 TYR 30 -2.509 2.131 -5.267 248 HH TYR 30 HH TYR 30 -2.140 3.927 -6.607 249 H ASP 31 H ASP 31 3.171 -3.087 -4.822 250 HA ASP 31 HA ASP 31 3.150 -4.609 -2.259 251 1HB ASP 31 HB2 ASP 31 3.414 -5.952 -4.291 252 2HB ASP 31 HB3 ASP 31 4.731 -4.892 -4.842 253 H LEU 32 H LEU 32 4.165 -3.378 -0.669 254 HA LEU 32 HA LEU 32 6.733 -2.103 -1.446 255 1HB LEU 32 HB2 LEU 32 5.157 -1.293 0.999 256 2HB LEU 32 HB3 LEU 32 6.556 -0.594 0.233 257 HG LEU 32 HG LEU 32 4.840 -0.515 -1.890 258 1HD1 LEU 32 HD11 LEU 32 3.037 -1.511 -0.343 259 2HD1 LEU 32 HD12 LEU 32 3.088 0.008 0.558 260 3HD1 LEU 32 HD13 LEU 32 2.608 -0.016 -1.155 261 1HD2 LEU 32 HD21 LEU 32 4.569 1.835 -1.404 262 2HD2 LEU 32 HD22 LEU 32 5.026 1.568 0.304 263 3HD2 LEU 32 HD23 LEU 32 6.205 1.308 -1.005 264 H THR 33 H THR 33 5.738 -3.002 1.835 265 HA THR 33 HA THR 33 6.649 -4.234 3.386 266 HB THR 33 HB THR 33 6.319 -5.967 1.214 267 HG1 THR 33 HG1 THR 33 6.782 -6.776 3.886 268 1HG2 THR 33 HG21 THR 33 7.905 -7.763 1.652 269 2HG2 THR 33 HG22 THR 33 8.688 -6.349 0.941 270 3HG2 THR 33 HG23 THR 33 8.876 -6.695 2.685 271 H LYS 34 H LYS 34 9.116 -4.116 0.758 272 HA LYS 34 HA LYS 34 11.283 -4.041 2.704 273 1HB LYS 34 HB2 LYS 34 11.371 -5.251 0.561 274 2HB LYS 34 HB3 LYS 34 11.203 -3.743 -0.342 275 1HG LYS 34 HG2 LYS 34 13.394 -3.845 1.686 276 2HG LYS 34 HG3 LYS 34 13.573 -4.961 0.325 277 1HD LYS 34 HD2 LYS 34 13.448 -3.168 -1.301 278 2HD LYS 34 HD3 LYS 34 12.996 -1.993 -0.058 279 1HE LYS 34 HE2 LYS 34 15.266 -2.590 1.079 280 2HE LYS 34 HE3 LYS 34 15.697 -3.314 -0.483 281 1HZ LYS 34 HZ1 LYS 34 16.407 -1.026 -0.342 282 2HZ LYS 34 HZ2 LYS 34 15.174 -1.078 -1.437 283 3HZ LYS 34 HZ3 LYS 34 14.919 -0.514 0.081 284 H PHE 35 H PHE 35 9.035 -1.802 1.585 285 HA PHE 35 HA PHE 35 10.881 0.526 1.859 286 1HB PHE 35 HB2 PHE 35 9.237 0.076 -0.180 287 2HB PHE 35 HB3 PHE 35 8.044 0.634 0.952 288 HD1 PHE 35 HD1 PHE 35 11.498 1.750 -0.111 289 HD2 PHE 35 HD2 PHE 35 7.425 2.900 0.756 290 HE1 PHE 35 HE1 PHE 35 12.055 4.108 -0.590 291 HE2 PHE 35 HE2 PHE 35 7.993 5.258 0.258 292 HZ PHE 35 HZ PHE 35 10.317 5.872 -0.388 293 H LEU 36 H LEU 36 9.077 -1.397 3.912 294 HA LEU 36 HA LEU 36 7.302 0.434 5.151 295 1HB LEU 36 HB2 LEU 36 8.906 -1.900 6.274 296 2HB LEU 36 HB3 LEU 36 7.651 -1.045 7.179 297 HG LEU 36 HG LEU 36 7.106 -2.348 4.490 298 1HD1 LEU 36 HD11 LEU 36 6.176 -4.266 5.779 299 2HD1 LEU 36 HD12 LEU 36 7.899 -4.062 6.152 300 3HD1 LEU 36 HD13 LEU 36 6.673 -3.493 7.298 301 1HD2 LEU 36 HD21 LEU 36 5.464 -0.719 5.083 302 2HD2 LEU 36 HD22 LEU 36 4.783 -2.337 5.290 303 3HD2 LEU 36 HD23 LEU 36 5.300 -1.422 6.723 304 H GLU 37 H GLU 37 10.643 -0.415 6.223 305 HA GLU 37 HA GLU 37 10.747 1.731 8.120 306 1HB GLU 37 HB2 GLU 37 13.200 1.321 8.071 307 2HB GLU 37 HB3 GLU 37 12.221 -0.097 8.449 308 1HG GLU 37 HG2 GLU 37 13.157 0.326 5.587 309 2HG GLU 37 HG3 GLU 37 14.261 -0.281 6.813 310 H GLU 38 H GLU 38 11.554 1.547 4.687 311 HA GLU 38 HA GLU 38 12.991 4.014 4.519 312 1HB GLU 38 HB2 GLU 38 11.446 2.528 2.400 313 2HB GLU 38 HB3 GLU 38 12.681 3.725 2.103 314 1HG GLU 38 HG2 GLU 38 14.140 2.025 3.643 315 2HG GLU 38 HG3 GLU 38 13.000 0.863 2.957 316 H HIS 39 HN HIS 39 9.553 3.171 4.197 317 HA HIS 39 HA HIS 39 8.560 5.498 3.037 318 1HB HIS 39 HB2 HIS 39 7.203 3.580 3.125 319 2HB HIS 39 HB3 HIS 39 7.352 3.448 4.877 320 HD1 HIS 39 HND HIS 39 5.658 4.659 6.328 321 HD2 HIS 39 HD HIS 39 5.574 5.715 2.272 322 HE1 HIS 39 HE HIS 39 3.524 6.027 5.989 323 HA PRO 40 HA PRO 40 9.441 8.086 6.660 324 1HB PRO 40 HB2 PRO 40 8.993 10.554 5.565 325 2HB PRO 40 HB3 PRO 40 10.413 9.546 5.179 326 1HG PRO 40 HG2 PRO 40 7.879 9.846 3.600 327 2HG PRO 40 HG3 PRO 40 9.553 9.876 2.986 328 1HD PRO 40 HD2 PRO 40 7.890 7.674 2.914 329 2HD PRO 40 HD3 PRO 40 9.670 7.541 3.036 330 H GLY 41 H GLY 41 7.481 6.841 7.400 331 1HA GLY 41 HA1 GLY 41 5.427 8.693 8.367 332 2HA GLY 41 HA2 GLY 41 4.827 7.501 7.221 333 H GLY 42 H GLY 42 6.714 5.325 8.176 334 1HA GLY 42 HA1 GLY 42 6.908 4.646 10.716 335 2HA GLY 42 HA2 GLY 42 5.142 4.520 10.531 336 H GLU 43 H GLU 43 5.523 2.237 10.957 337 HA GLU 43 HA GLU 43 5.966 0.666 8.464 338 1HB GLU 43 HB2 GLU 43 8.007 0.401 9.668 339 2HB GLU 43 HB3 GLU 43 7.191 0.144 11.211 340 1HG GLU 43 HG2 GLU 43 6.396 -1.813 9.115 341 2HG GLU 43 HG3 GLU 43 8.115 -1.837 9.512 342 H ALA 44 H ALA 44 5.031 0.319 11.903 343 HA ALA 44 HA ALA 44 3.120 -1.568 11.686 344 1HB ALA 44 HB1 ALA 44 2.119 -0.699 13.747 345 2HB ALA 44 HB2 ALA 44 3.891 -0.618 13.819 346 3HB ALA 44 HB3 ALA 44 2.943 0.858 13.515 347 H VAL 45 H VAL 45 2.577 1.936 11.087 348 HA VAL 45 HA VAL 45 -0.208 1.643 10.631 349 HB VAL 45 HB VAL 45 1.092 3.792 11.053 350 1HG1 VAL 45 HG11 VAL 45 1.333 3.846 8.016 351 2HG1 VAL 45 HG12 VAL 45 1.805 5.103 9.168 352 3HG1 VAL 45 HG13 VAL 45 2.695 3.573 9.137 353 1HG2 VAL 45 HG21 VAL 45 -0.613 5.094 9.665 354 2HG2 VAL 45 HG22 VAL 45 -1.149 3.520 9.047 355 3HG2 VAL 45 HG23 VAL 45 -1.249 3.867 10.777 356 H LEU 46 H LEU 46 2.613 1.475 8.204 357 HA LEU 46 HA LEU 46 0.818 1.004 6.028 358 1HB LEU 46 HB2 LEU 46 3.680 0.092 6.447 359 2HB LEU 46 HB3 LEU 46 2.770 -0.005 4.938 360 HG LEU 46 HG LEU 46 2.349 2.606 5.491 361 1HD1 LEU 46 HD11 LEU 46 5.203 2.620 6.256 362 2HD1 LEU 46 HD12 LEU 46 3.841 3.589 6.898 363 3HD1 LEU 46 HD13 LEU 46 4.200 1.989 7.523 364 1HD2 LEU 46 HD21 LEU 46 3.899 3.160 3.825 365 2HD2 LEU 46 HD22 LEU 46 4.975 1.794 4.200 366 3HD2 LEU 46 HD23 LEU 46 3.405 1.520 3.423 367 H ARG 47 H ARG 47 2.287 -1.238 8.413 368 HA ARG 47 HA ARG 47 1.551 -3.555 6.870 369 1HB ARG 47 HB2 ARG 47 2.650 -4.778 8.379 370 2HB ARG 47 HB3 ARG 47 3.354 -3.179 8.732 371 1HG ARG 47 HG2 ARG 47 1.678 -2.979 10.601 372 2HG ARG 47 HG3 ARG 47 1.142 -4.641 10.289 373 1HD ARG 47 HD2 ARG 47 3.248 -5.542 10.933 374 2HD ARG 47 HD3 ARG 47 4.027 -3.966 10.804 375 HE ARG 47 HE ARG 47 1.838 -4.102 12.747 376 1HH1 ARG 47 HH11 ARG 47 3.937 -4.227 15.562 377 2HH1 ARG 47 HH12 ARG 47 2.295 -4.183 15.001 378 1HH2 ARG 47 HH21 ARG 47 5.727 -4.371 13.981 379 2HH2 ARG 47 HH22 ARG 47 5.330 -3.805 12.403 380 H ALA 48 H ALA 48 0.058 -1.744 9.531 381 HA ALA 48 HA ALA 48 -1.941 -3.655 10.166 382 1HB ALA 48 HB1 ALA 48 -1.783 -0.631 10.521 383 2HB ALA 48 HB2 ALA 48 -3.005 -1.670 11.306 384 3HB ALA 48 HB3 ALA 48 -1.275 -1.871 11.686 385 H GLN 49 H GLN 49 -1.983 -0.702 8.086 386 HA GLN 49 HA GLN 49 -4.646 -1.234 7.069 387 1HB GLN 49 HB2 GLN 49 -2.387 0.705 6.578 388 2HB GLN 49 HB3 GLN 49 -3.661 0.562 5.386 389 1HG GLN 49 HG2 GLN 49 -4.236 2.332 6.916 390 2HG GLN 49 HG3 GLN 49 -5.401 1.014 7.007 391 1HE2 GLN 49 HE21 GLN 49 -3.417 3.111 8.874 392 2HE2 GLN 49 HE22 GLN 49 -3.625 2.255 10.391 393 H ALA 50 H ALA 50 -1.579 -2.630 6.382 394 HA ALA 50 HA ALA 50 -1.831 -3.221 3.701 395 1HB ALA 50 HB1 ALA 50 0.099 -3.831 5.226 396 2HB ALA 50 HB2 ALA 50 -0.828 -5.280 5.677 397 3HB ALA 50 HB3 ALA 50 -0.343 -5.034 4.002 398 H GLY 51 H GLY 51 -2.422 -5.239 2.641 399 1HA GLY 51 HA1 GLY 51 -3.992 -6.714 1.929 400 2HA GLY 51 HA2 GLY 51 -4.049 -7.274 3.609 401 H GLY 52 H GLY 52 -5.053 -4.155 2.032 402 1HA GLY 52 HA1 GLY 52 -7.855 -4.765 2.188 403 2HA GLY 52 HA2 GLY 52 -7.329 -3.730 3.538 404 H ASP 53 H ASP 53 -9.110 -2.641 1.908 405 HA ASP 53 HA ASP 53 -7.845 -0.765 0.057 406 1HB ASP 53 HB2 ASP 53 -10.237 -1.082 -0.174 407 2HB ASP 53 HB3 ASP 53 -10.493 -0.724 1.549 408 H ALA 54 H ALA 54 -6.474 0.710 0.716 409 HA ALA 54 HA ALA 54 -6.798 1.932 3.438 410 1HB ALA 54 HB1 ALA 54 -4.859 0.453 3.521 411 2HB ALA 54 HB2 ALA 54 -4.178 1.206 2.075 412 3HB ALA 54 HB3 ALA 54 -4.355 2.165 3.566 413 H THR 55 H THR 55 -7.687 2.463 0.493 414 HA THR 55 HA THR 55 -6.233 4.696 -0.442 415 HB THR 55 HB THR 55 -9.246 4.220 -0.708 416 HG1 THR 55 HG1 THR 55 -8.252 2.388 -1.359 417 1HG2 THR 55 HG21 THR 55 -8.835 5.365 -2.902 418 2HG2 THR 55 HG22 THR 55 -8.456 6.424 -1.530 419 3HG2 THR 55 HG23 THR 55 -7.141 5.616 -2.407 420 H ALA 56 H ALA 56 -9.039 4.442 1.747 421 HA ALA 56 HA ALA 56 -9.404 7.194 2.245 422 1HB ALA 56 HB1 ALA 56 -9.943 4.813 4.077 423 2HB ALA 56 HB2 ALA 56 -10.637 6.443 4.243 424 3HB ALA 56 HB3 ALA 56 -11.041 5.448 2.830 425 H ASN 57 H ASN 57 -7.203 4.843 3.838 426 HA ASN 57 HA ASN 57 -6.393 6.676 5.923 427 1HB ASN 57 HB2 ASN 57 -4.972 4.220 4.820 428 2HB ASN 57 HB3 ASN 57 -4.589 5.061 6.325 429 1HD2 ASN 57 HD21 ASN 57 -6.249 5.043 8.089 430 2HD2 ASN 57 HD22 ASN 57 -7.389 3.710 8.115 431 H PHE 58 H PHE 58 -4.925 5.575 2.865 432 HA PHE 58 HA PHE 58 -2.631 7.187 2.782 433 1HB PHE 58 HB2 PHE 58 -3.135 5.420 1.192 434 2HB PHE 58 HB3 PHE 58 -4.470 6.333 0.514 435 HD1 PHE 58 HD1 PHE 58 -0.963 5.645 0.232 436 HD2 PHE 58 HD2 PHE 58 -4.017 8.523 -0.732 437 HE1 PHE 58 HE1 PHE 58 0.402 6.474 -1.668 438 HE2 PHE 58 HE2 PHE 58 -2.583 9.464 -2.491 439 HZ PHE 58 HZ PHE 58 -0.361 8.423 -2.989 440 H GLU 59 H GLU 59 -5.927 8.030 1.479 441 HA GLU 59 HA GLU 59 -5.040 10.643 0.749 442 1HB GLU 59 HB2 GLU 59 -7.265 11.071 0.037 443 2HB GLU 59 HB3 GLU 59 -6.727 9.465 -0.461 444 1HG GLU 59 HG2 GLU 59 -8.756 8.804 0.250 445 2HG GLU 59 HG3 GLU 59 -7.985 8.809 1.834 446 H ALA 60 H ALA 60 -6.898 9.426 3.557 447 HA ALA 60 HA ALA 60 -7.444 11.793 4.874 448 1HB ALA 60 HB1 ALA 60 -7.184 10.488 7.004 449 2HB ALA 60 HB2 ALA 60 -8.187 9.682 5.789 450 3HB ALA 60 HB3 ALA 60 -6.513 9.143 6.064 451 H VAL 61 H VAL 61 -4.324 9.991 4.896 452 HA VAL 61 HA VAL 61 -3.028 12.512 5.895 453 HB VAL 61 HB VAL 61 -1.791 9.760 6.104 454 1HG1 VAL 61 HG11 VAL 61 -0.490 10.950 7.864 455 2HG1 VAL 61 HG12 VAL 61 -0.308 11.763 6.304 456 3HG1 VAL 61 HG13 VAL 61 -1.382 12.438 7.545 457 1HG2 VAL 61 HG21 VAL 61 -3.852 9.604 7.417 458 2HG2 VAL 61 HG22 VAL 61 -2.497 9.850 8.521 459 3HG2 VAL 61 HG23 VAL 61 -3.565 11.211 8.123 460 H GLY 62 H GLY 62 -3.845 12.590 3.382 461 1HA GLY 62 HA1 GLY 62 -2.260 11.645 1.352 462 2HA GLY 62 HA2 GLY 62 -3.078 13.217 1.330 463 H HIS 63 HN HIS 63 -0.422 12.164 0.379 464 HA HIS 63 HA HIS 63 1.539 13.480 2.088 465 1HB HIS 63 HB2 HIS 63 2.090 11.687 -0.267 466 2HB HIS 63 HB3 HIS 63 3.016 11.918 1.199 467 HD1 HIS 63 HND HIS 63 0.545 9.722 -0.456 468 HD2 HIS 63 HD HIS 63 2.291 10.541 3.228 469 HE1 HIS 63 HE HIS 63 0.925 7.523 0.634 470 H SER 64 H SER 64 1.942 13.069 -1.480 471 HA SER 64 HA SER 64 1.449 15.720 -2.203 472 1HB SER 64 HB2 SER 64 3.622 16.108 -0.894 473 2HB SER 64 HB3 SER 64 4.437 15.092 -2.097 474 HG SER 64 HG SER 64 4.303 17.490 -2.444 475 H THR 65 H THR 65 2.990 15.958 -4.386 476 HA THR 65 HA THR 65 1.897 14.111 -6.329 477 HB THR 65 HB THR 65 3.524 15.413 -7.803 478 HG1 THR 65 HG1 THR 65 4.627 17.113 -6.749 479 1HG2 THR 65 HG21 THR 65 2.327 17.542 -7.626 480 2HG2 THR 65 HG22 THR 65 1.175 16.227 -7.328 481 3HG2 THR 65 HG23 THR 65 1.815 17.175 -5.969 482 H ASP 66 H ASP 66 5.166 14.748 -5.158 483 HA ASP 66 HA ASP 66 6.630 12.772 -6.313 484 1HB ASP 66 HB2 ASP 66 7.085 14.555 -4.266 485 2HB ASP 66 HB3 ASP 66 7.097 13.049 -3.344 486 H ALA 67 H ALA 67 4.654 12.315 -3.387 487 HA ALA 67 HA ALA 67 5.214 9.523 -3.048 488 1HB ALA 67 HB1 ALA 67 3.320 9.505 -1.533 489 2HB ALA 67 HB2 ALA 67 4.238 11.009 -1.281 490 3HB ALA 67 HB3 ALA 67 2.722 11.025 -2.219 491 H ARG 68 H ARG 68 2.574 11.300 -4.747 492 HA ARG 68 HA ARG 68 0.937 9.098 -5.489 493 1HB ARG 68 HB2 ARG 68 1.251 11.922 -6.323 494 2HB ARG 68 HB3 ARG 68 0.836 10.871 -7.657 495 1HG ARG 68 HG2 ARG 68 -1.143 11.763 -6.820 496 2HG ARG 68 HG3 ARG 68 -1.150 10.044 -6.397 497 1HD ARG 68 HD2 ARG 68 -0.674 10.544 -4.086 498 2HD ARG 68 HD3 ARG 68 -0.189 12.206 -4.491 499 HE ARG 68 HE ARG 68 -2.924 11.720 -5.243 500 1HH1 ARG 68 HH11 ARG 68 -4.223 13.615 -2.565 501 2HH1 ARG 68 HH12 ARG 68 -4.538 12.987 -4.146 502 1HH2 ARG 68 HH21 ARG 68 -2.085 13.298 -1.581 503 2HH2 ARG 68 HH22 ARG 68 -0.892 12.381 -2.458 504 H GLU 69 H GLU 69 3.888 10.507 -6.909 505 HA GLU 69 HA GLU 69 3.827 8.855 -9.330 506 1HB GLU 69 HB2 GLU 69 5.529 10.979 -8.139 507 2HB GLU 69 HB3 GLU 69 6.309 9.930 -9.312 508 1HG GLU 69 HG2 GLU 69 3.613 11.206 -9.930 509 2HG GLU 69 HG3 GLU 69 5.125 12.094 -10.148 510 H LEU 70 H LEU 70 5.684 8.973 -6.311 511 HA LEU 70 HA LEU 70 7.371 6.845 -6.758 512 1HB LEU 70 HB2 LEU 70 7.551 8.494 -4.954 513 2HB LEU 70 HB3 LEU 70 6.127 7.789 -4.189 514 HG LEU 70 HG LEU 70 7.244 6.175 -3.146 515 1HD1 LEU 70 HD11 LEU 70 9.291 5.047 -4.113 516 2HD1 LEU 70 HD12 LEU 70 7.722 4.874 -4.918 517 3HD1 LEU 70 HD13 LEU 70 8.962 5.968 -5.599 518 1HD2 LEU 70 HD21 LEU 70 9.602 7.963 -3.845 519 2HD2 LEU 70 HD22 LEU 70 8.459 8.209 -2.501 520 3HD2 LEU 70 HD23 LEU 70 9.531 6.795 -2.511 521 H SER 71 H SER 71 4.256 6.784 -5.067 522 HA SER 71 HA SER 71 3.893 4.062 -4.752 523 1HB SER 71 HB2 SER 71 1.518 4.376 -4.723 524 2HB SER 71 HB3 SER 71 2.314 5.726 -3.910 525 HG SER 71 HG SER 71 1.246 5.780 -6.540 526 H LYS 72 H LYS 72 3.197 5.847 -7.865 527 HA LYS 72 HA LYS 72 2.396 3.536 -9.283 528 1HB LYS 72 HB2 LYS 72 3.822 6.031 -10.299 529 2HB LYS 72 HB3 LYS 72 3.380 4.671 -11.302 530 1HG LYS 72 HG2 LYS 72 0.976 5.122 -10.038 531 2HG LYS 72 HG3 LYS 72 1.652 6.765 -10.093 532 1HD LYS 72 HD2 LYS 72 2.119 6.459 -12.533 533 2HD LYS 72 HD3 LYS 72 1.459 4.810 -12.439 534 1HE LYS 72 HE2 LYS 72 -0.748 5.862 -11.665 535 2HE LYS 72 HE3 LYS 72 -0.051 7.432 -12.113 536 1HZ LYS 72 HZ1 LYS 72 -0.449 5.126 -13.915 537 2HZ LYS 72 HZ2 LYS 72 -1.344 6.504 -13.904 538 3HZ LYS 72 HZ3 LYS 72 0.238 6.555 -14.353 539 H THR 73 H THR 73 5.712 4.650 -8.532 540 HA THR 73 HA THR 73 7.028 2.668 -10.157 541 HB THR 73 HB THR 73 7.866 4.610 -8.033 542 HG1 THR 73 HG1 THR 73 9.253 5.157 -9.685 543 1HG2 THR 73 HG21 THR 73 10.156 3.748 -7.999 544 2HG2 THR 73 HG22 THR 73 9.031 2.651 -7.195 545 3HG2 THR 73 HG23 THR 73 9.624 2.271 -8.832 546 H PHE 74 H PHE 74 5.501 2.509 -7.049 547 HA PHE 74 HA PHE 74 6.500 -0.277 -6.601 548 1HB PHE 74 HB2 PHE 74 4.808 1.570 -4.880 549 2HB PHE 74 HB3 PHE 74 5.165 -0.105 -4.481 550 HD1 PHE 74 HD1 PHE 74 7.730 -0.802 -4.629 551 HD2 PHE 74 HD2 PHE 74 6.191 3.123 -3.710 552 HE1 PHE 74 HE1 PHE 74 9.884 -0.205 -3.559 553 HE2 PHE 74 HE2 PHE 74 8.290 3.642 -2.488 554 HZ PHE 74 HZ PHE 74 10.178 2.037 -2.535 555 H ILE 75 H ILE 75 4.159 1.020 -8.569 556 HA ILE 75 HA ILE 75 1.875 -0.469 -7.701 557 HB ILE 75 HB ILE 75 2.159 1.459 -9.451 558 1HG1 ILE 75 HG12 ILE 75 -0.012 -0.625 -9.409 559 2HG1 ILE 75 HG13 ILE 75 0.163 0.835 -8.414 560 1HG2 ILE 75 HG21 ILE 75 1.828 -0.917 -11.315 561 2HG2 ILE 75 HG22 ILE 75 1.862 0.803 -11.752 562 3HG2 ILE 75 HG23 ILE 75 3.331 0.032 -11.169 563 1HD1 ILE 75 HD11 ILE 75 -1.378 1.429 -10.066 564 2HD1 ILE 75 HD12 ILE 75 0.151 2.196 -10.532 565 3HD1 ILE 75 HD13 ILE 75 -0.417 0.718 -11.367 566 H ILE 76 H ILE 76 1.395 -2.634 -7.909 567 HA ILE 76 HA ILE 76 3.159 -4.291 -9.707 568 HB ILE 76 HB ILE 76 2.131 -6.202 -8.396 569 1HG1 ILE 76 HG12 ILE 76 1.583 -4.036 -6.313 570 2HG1 ILE 76 HG13 ILE 76 0.327 -4.688 -7.364 571 1HG2 ILE 76 HG21 ILE 76 3.878 -5.977 -6.684 572 2HG2 ILE 76 HG22 ILE 76 4.470 -5.357 -8.216 573 3HG2 ILE 76 HG23 ILE 76 3.953 -4.219 -6.960 574 1HD1 ILE 76 HD11 ILE 76 0.197 -6.638 -6.230 575 2HD1 ILE 76 HD12 ILE 76 1.939 -6.736 -5.922 576 3HD1 ILE 76 HD13 ILE 76 0.930 -5.682 -4.923 577 H GLY 77 H GLY 77 -0.001 -2.904 -9.448 578 1HA GLY 77 HA1 GLY 77 -0.891 -3.423 -11.970 579 2HA GLY 77 HA2 GLY 77 -1.321 -4.897 -11.077 580 H GLU 78 H GLU 78 -3.485 -4.550 -11.124 581 HA GLU 78 HA GLU 78 -4.526 -2.234 -9.603 582 1HB GLU 78 HB2 GLU 78 -5.191 -3.068 -12.439 583 2HB GLU 78 HB3 GLU 78 -6.465 -2.532 -11.380 584 1HG GLU 78 HG2 GLU 78 -4.578 -0.572 -10.966 585 2HG GLU 78 HG3 GLU 78 -4.265 -0.983 -12.645 586 H LEU 79 H LEU 79 -6.727 -2.425 -9.016 587 HA LEU 79 HA LEU 79 -7.291 -4.802 -7.529 588 1HB LEU 79 HB2 LEU 79 -8.109 -2.486 -7.045 589 2HB LEU 79 HB3 LEU 79 -9.009 -2.513 -8.565 590 HG LEU 79 HG LEU 79 -10.256 -4.568 -7.627 591 1HD1 LEU 79 HD11 LEU 79 -10.049 -3.954 -4.876 592 2HD1 LEU 79 HD12 LEU 79 -9.491 -5.432 -5.690 593 3HD1 LEU 79 HD13 LEU 79 -8.377 -4.077 -5.435 594 1HD2 LEU 79 HD21 LEU 79 -11.800 -3.134 -6.438 595 2HD2 LEU 79 HD22 LEU 79 -10.550 -1.871 -6.291 596 3HD2 LEU 79 HD23 LEU 79 -11.161 -2.371 -7.893 597 H HIS 80 H HIS 80 -8.390 -6.636 -8.184 598 HA HIS 80 HA HIS 80 -8.838 -7.272 -10.885 599 1HB HIS 80 HB2 HIS 80 -8.694 -8.750 -8.779 600 2HB HIS 80 HB3 HIS 80 -10.439 -8.538 -8.654 601 HD1 HIS 80 HD1 HIS 80 -11.759 -10.232 -10.230 602 HD2 HIS 80 HD2 HIS 80 -7.623 -10.018 -10.896 603 HE1 HIS 80 HE1 HIS 80 -11.212 -12.068 -11.886 604 HA PRO 81 HA PRO 81 -12.687 -5.231 -11.828 605 1HB PRO 81 HB2 PRO 81 -13.527 -6.681 -13.999 606 2HB PRO 81 HB3 PRO 81 -12.208 -5.478 -14.041 607 1HG PRO 81 HG2 PRO 81 -11.955 -8.483 -13.739 608 2HG PRO 81 HG3 PRO 81 -11.039 -7.411 -14.845 609 1HD PRO 81 HD2 PRO 81 -10.028 -8.253 -12.516 610 2HD PRO 81 HD3 PRO 81 -9.723 -6.582 -13.067 611 H ASP 82 H ASP 82 -12.448 -8.463 -10.670 612 HA ASP 82 HA ASP 82 -15.327 -8.964 -10.571 613 1HB ASP 82 HB2 ASP 82 -13.550 -10.758 -10.757 614 2HB ASP 82 HB3 ASP 82 -13.175 -10.432 -9.023 615 H ASP 83 H ASP 83 -12.894 -7.363 -8.577 616 HA ASP 83 HA ASP 83 -14.277 -7.560 -6.037 617 1HB ASP 83 HB2 ASP 83 -11.887 -7.326 -6.117 618 2HB ASP 83 HB3 ASP 83 -12.014 -5.868 -7.123 619 H ARG 84 H ARG 84 -13.730 -4.996 -8.428 620 HA ARG 84 HA ARG 84 -15.218 -3.042 -6.997 621 1HB ARG 84 HB2 ARG 84 -14.691 -1.564 -8.787 622 2HB ARG 84 HB3 ARG 84 -13.292 -2.621 -8.544 623 1HG ARG 84 HG2 ARG 84 -14.231 -4.072 -10.468 624 2HG ARG 84 HG3 ARG 84 -15.422 -2.800 -10.705 625 1HD ARG 84 HD2 ARG 84 -13.875 -2.264 -12.266 626 2HD ARG 84 HD3 ARG 84 -13.448 -1.160 -10.938 627 HE ARG 84 HE ARG 84 -11.842 -3.396 -10.529 628 1HH1 ARG 84 HH11 ARG 84 -9.239 -2.719 -12.871 629 2HH1 ARG 84 HH12 ARG 84 -9.678 -3.677 -11.507 630 1HH2 ARG 84 HH21 ARG 84 -10.802 -1.336 -13.900 631 2HH2 ARG 84 HH22 ARG 84 -12.360 -1.098 -13.159 632 HHA HEM 201 HGM HEM 201 4.850 10.904 5.139 633 HHB HEM 201 HDM HEM 201 5.504 7.948 -0.581 634 HHC HEM 201 HAM HEM 201 0.798 3.899 1.007 635 HHD HEM 201 HBM HEM 201 0.144 6.815 6.742 636 1HMA HEM 201 HM81 HEM 201 6.378 10.039 -0.721 637 2HMA HEM 201 HM82 HEM 201 6.891 11.405 0.256 638 3HMA HEM 201 HM83 HEM 201 7.748 9.856 0.391 639 1HAA HEM 201 HAA1 HEM 201 6.651 11.757 3.962 640 2HAA HEM 201 HAA2 HEM 201 6.923 12.266 2.312 641 1HBA HEM 201 HBA1 HEM 201 4.104 12.453 3.414 642 2HBA HEM 201 HBA2 HEM 201 4.888 13.416 2.162 643 1HMB HEM 201 HM11 HEM 201 4.605 6.525 -2.650 644 2HMB HEM 201 HM12 HEM 201 5.729 5.489 -1.725 645 3HMB HEM 201 HM13 HEM 201 4.372 4.761 -2.580 646 HAB HEM 201 HT2A HEM 201 1.854 3.914 -2.140 647 1HBB HEM 201 HV2C HEM 201 2.503 2.316 0.320 648 2HBB HEM 201 HV2T HEM 201 1.442 1.870 -1.155 649 1HMC HEM 201 HM31 HEM 201 -0.496 2.482 2.686 650 2HMC HEM 201 HM32 HEM 201 -1.882 3.024 3.655 651 3HMC HEM 201 HM33 HEM 201 -1.635 3.679 2.032 652 HAC HEM 201 HT4A HEM 201 -2.192 5.489 5.982 653 1HBC HEM 201 HV4C HEM 201 -0.656 2.829 6.041 654 2HBC HEM 201 HV4T HEM 201 -2.161 3.289 7.035 655 1HMD HEM 201 HM51 HEM 201 1.357 7.530 8.725 656 2HMD HEM 201 HM52 HEM 201 1.915 9.124 9.220 657 3HMD HEM 201 HM53 HEM 201 0.338 8.954 8.435 658 1HAD HEM 201 HAD1 HEM 201 3.889 10.221 8.614 659 2HAD HEM 201 HAD2 HEM 201 4.475 11.155 7.263 660 1HBD HEM 201 HBD1 HEM 201 3.098 12.801 7.879 661 2HBD HEM 201 HBD2 HEM 201 1.719 11.784 7.465 Start of MODEL 33 1 1H ALA 3 H1 ALA 3 -0.783 -8.993 -19.232 2 2H ALA 3 H2 ALA 3 -2.129 -9.591 -19.958 3 3H ALA 3 H3 ALA 3 -1.075 -8.651 -20.841 4 HA ALA 3 HA ALA 3 -1.854 -6.737 -20.019 5 1HB ALA 3 HB1 ALA 3 -3.989 -7.836 -20.597 6 2HB ALA 3 HB2 ALA 3 -4.039 -8.632 -19.008 7 3HB ALA 3 HB3 ALA 3 -4.198 -6.869 -19.126 8 H VAL 4 H VAL 4 -2.740 -5.653 -17.766 9 HA VAL 4 HA VAL 4 -0.712 -6.062 -15.820 10 HB VAL 4 HB VAL 4 -3.442 -4.788 -15.740 11 1HG1 VAL 4 HG11 VAL 4 -3.107 -5.409 -13.450 12 2HG1 VAL 4 HG12 VAL 4 -1.401 -4.909 -13.510 13 3HG1 VAL 4 HG13 VAL 4 -2.701 -3.695 -13.592 14 1HG2 VAL 4 HG21 VAL 4 -2.249 -2.695 -15.837 15 2HG2 VAL 4 HG22 VAL 4 -0.698 -3.483 -15.491 16 3HG2 VAL 4 HG23 VAL 4 -1.484 -3.723 -17.063 17 H LYS 5 H LYS 5 -0.588 -7.384 -14.112 18 HA LYS 5 HA LYS 5 -2.435 -9.680 -14.034 19 1HB LYS 5 HB2 LYS 5 0.061 -9.917 -13.960 20 2HB LYS 5 HB3 LYS 5 0.047 -9.233 -12.325 21 1HG LYS 5 HG2 LYS 5 -1.441 -11.071 -11.567 22 2HG LYS 5 HG3 LYS 5 -1.559 -11.666 -13.237 23 1HD LYS 5 HD2 LYS 5 1.013 -11.856 -13.196 24 2HD LYS 5 HD3 LYS 5 0.916 -11.684 -11.446 25 1HE LYS 5 HE2 LYS 5 -0.528 -13.825 -13.119 26 2HE LYS 5 HE3 LYS 5 1.047 -14.058 -12.359 27 1HZ LYS 5 HZ1 LYS 5 -0.665 -14.964 -11.011 28 2HZ LYS 5 HZ2 LYS 5 0.006 -13.695 -10.217 29 3HZ LYS 5 HZ3 LYS 5 -1.475 -13.537 -10.924 30 H TYR 6 H TYR 6 -4.219 -8.290 -13.439 31 HA TYR 6 HA TYR 6 -4.389 -6.796 -11.101 32 1HB TYR 6 HB2 TYR 6 -6.656 -8.528 -12.137 33 2HB TYR 6 HB3 TYR 6 -6.728 -7.000 -11.240 34 HD1 TYR 6 HD1 TYR 6 -5.922 -4.921 -12.319 35 HD2 TYR 6 HD2 TYR 6 -6.701 -8.499 -14.538 36 HE1 TYR 6 HE1 TYR 6 -5.914 -3.589 -14.447 37 HE2 TYR 6 HE2 TYR 6 -6.748 -7.191 -16.648 38 HH TYR 6 HH TYR 6 -6.146 -3.666 -16.709 39 H TYR 7 H TYR 7 -5.264 -7.219 -8.963 40 HA TYR 7 HA TYR 7 -5.041 -10.072 -8.072 41 1HB TYR 7 HB2 TYR 7 -4.098 -7.686 -6.486 42 2HB TYR 7 HB3 TYR 7 -3.863 -9.390 -6.135 43 HD1 TYR 7 HD1 TYR 7 -2.401 -6.459 -7.539 44 HD2 TYR 7 HD2 TYR 7 -2.476 -10.742 -7.997 45 HE1 TYR 7 HE1 TYR 7 -0.203 -6.377 -8.652 46 HE2 TYR 7 HE2 TYR 7 -0.259 -10.653 -9.105 47 HH TYR 7 HH TYR 7 1.439 -9.283 -9.897 48 H THR 8 H THR 8 -6.649 -10.756 -6.710 49 HA THR 8 HA THR 8 -8.986 -9.056 -6.267 50 HB THR 8 HB THR 8 -9.695 -11.262 -5.098 51 HG1 THR 8 HG1 THR 8 -7.416 -11.855 -4.844 52 1HG2 THR 8 HG21 THR 8 -10.347 -10.827 -7.444 53 2HG2 THR 8 HG22 THR 8 -8.778 -11.487 -7.994 54 3HG2 THR 8 HG23 THR 8 -9.955 -12.533 -7.185 55 H LEU 9 H LEU 9 -9.815 -8.560 -4.149 56 HA LEU 9 HA LEU 9 -8.089 -7.559 -2.270 57 1HB LEU 9 HB2 LEU 9 -10.815 -7.773 -2.563 58 2HB LEU 9 HB3 LEU 9 -10.600 -8.709 -1.134 59 HG LEU 9 HG LEU 9 -9.447 -5.906 -1.547 60 1HD1 LEU 9 HD11 LEU 9 -11.775 -6.241 0.290 61 2HD1 LEU 9 HD12 LEU 9 -11.267 -4.872 -0.720 62 3HD1 LEU 9 HD13 LEU 9 -12.105 -6.246 -1.448 63 1HD2 LEU 9 HD21 LEU 9 -8.251 -7.068 0.235 64 2HD2 LEU 9 HD22 LEU 9 -9.344 -5.890 0.981 65 3HD2 LEU 9 HD23 LEU 9 -9.779 -7.610 0.963 66 H GLU 10 H GLU 10 -9.538 -10.819 -2.301 67 HA GLU 10 HA GLU 10 -8.539 -11.850 0.049 68 1HB GLU 10 HB2 GLU 10 -10.101 -12.921 -1.655 69 2HB GLU 10 HB3 GLU 10 -8.665 -13.434 -2.537 70 1HG GLU 10 HG2 GLU 10 -9.317 -15.261 -1.125 71 2HG GLU 10 HG3 GLU 10 -7.843 -14.581 -0.433 72 H GLU 11 H GLU 11 -6.936 -12.347 -3.133 73 HA GLU 11 HA GLU 11 -4.562 -13.366 -2.170 74 1HB GLU 11 HB2 GLU 11 -5.444 -12.196 -4.733 75 2HB GLU 11 HB3 GLU 11 -3.776 -11.803 -4.377 76 1HG GLU 11 HG2 GLU 11 -3.797 -13.824 -5.645 77 2HG GLU 11 HG3 GLU 11 -3.281 -14.225 -4.005 78 H ILE 12 H ILE 12 -5.334 -9.913 -2.695 79 HA ILE 12 HA ILE 12 -2.801 -8.913 -1.842 80 HB ILE 12 HB ILE 12 -5.550 -7.648 -1.637 81 1HG1 ILE 12 HG12 ILE 12 -3.525 -7.263 -3.896 82 2HG1 ILE 12 HG13 ILE 12 -4.779 -8.470 -3.999 83 1HG2 ILE 12 HG21 ILE 12 -3.493 -6.496 -0.423 84 2HG2 ILE 12 HG22 ILE 12 -3.036 -6.050 -2.074 85 3HG2 ILE 12 HG23 ILE 12 -4.590 -5.539 -1.428 86 1HD1 ILE 12 HD11 ILE 12 -6.513 -6.748 -3.668 87 2HD1 ILE 12 HD12 ILE 12 -5.244 -5.497 -3.699 88 3HD1 ILE 12 HD13 ILE 12 -5.553 -6.503 -5.120 89 H GLN 13 H GLN 13 -5.716 -9.881 -0.055 90 HA GLN 13 HA GLN 13 -4.904 -9.102 2.548 91 1HB GLN 13 HB2 GLN 13 -7.220 -10.382 1.340 92 2HB GLN 13 HB3 GLN 13 -6.756 -11.262 2.768 93 1HG GLN 13 HG2 GLN 13 -7.125 -8.239 2.686 94 2HG GLN 13 HG3 GLN 13 -8.410 -9.382 3.094 95 1HE2 GLN 13 HE21 GLN 13 -6.669 -7.258 4.710 96 2HE2 GLN 13 HE22 GLN 13 -6.233 -8.187 6.132 97 H LYS 14 H LYS 14 -4.179 -12.003 0.620 98 HA LYS 14 HA LYS 14 -3.327 -13.630 2.828 99 1HB LYS 14 HB2 LYS 14 -2.352 -13.596 -0.057 100 2HB LYS 14 HB3 LYS 14 -1.941 -14.808 1.148 101 1HG LYS 14 HG2 LYS 14 -4.276 -15.458 1.391 102 2HG LYS 14 HG3 LYS 14 -4.785 -14.212 0.242 103 1HD LYS 14 HD2 LYS 14 -3.495 -15.206 -1.562 104 2HD LYS 14 HD3 LYS 14 -2.809 -16.426 -0.499 105 1HE LYS 14 HE2 LYS 14 -5.803 -16.112 -1.101 106 2HE LYS 14 HE3 LYS 14 -4.715 -17.179 -1.998 107 1HZ LYS 14 HZ1 LYS 14 -4.238 -18.272 0.140 108 2HZ LYS 14 HZ2 LYS 14 -5.441 -17.380 0.838 109 3HZ LYS 14 HZ3 LYS 14 -5.794 -18.433 -0.375 110 H HIS 15 H HIS 15 -1.969 -10.714 1.510 111 HA HIS 15 HA HIS 15 0.760 -11.283 2.493 112 1HB HIS 15 HB2 HIS 15 -0.389 -8.772 1.180 113 2HB HIS 15 HB3 HIS 15 1.281 -9.107 1.571 114 HD1 HIS 15 HD1 HIS 15 2.230 -9.074 -0.818 115 HD2 HIS 15 HD2 HIS 15 -0.869 -11.849 -0.261 116 HE1 HIS 15 HE1 HIS 15 2.278 -10.681 -2.803 117 H ASN 16 H ASN 16 0.817 -8.304 3.381 118 HA ASN 16 HA ASN 16 0.695 -7.154 5.288 119 1HB ASN 16 HB2 ASN 16 -1.494 -6.703 6.253 120 2HB ASN 16 HB3 ASN 16 -1.555 -6.681 4.477 121 1HD2 ASN 16 HD21 ASN 16 -2.588 -8.468 3.367 122 2HD2 ASN 16 HD22 ASN 16 -3.647 -9.544 4.265 123 H ASN 17 H ASN 17 1.753 -9.743 5.617 124 HA ASN 17 HA ASN 17 1.321 -10.253 8.501 125 1HB ASN 17 HB2 ASN 17 0.190 -12.044 6.361 126 2HB ASN 17 HB3 ASN 17 0.927 -12.803 7.760 127 1HD2 ASN 17 HD21 ASN 17 -1.995 -12.484 6.827 128 2HD2 ASN 17 HD22 ASN 17 -2.777 -12.066 8.339 129 H SER 18 H SER 18 3.434 -9.610 8.633 130 HA SER 18 HA SER 18 5.711 -9.840 8.590 131 1HB SER 18 HB2 SER 18 4.660 -12.558 9.457 132 2HB SER 18 HB3 SER 18 6.337 -12.021 9.674 133 HG SER 18 HG SER 18 5.247 -11.420 11.512 134 H LYS 19 H LYS 19 5.140 -9.772 6.054 135 HA LYS 19 HA LYS 19 7.285 -11.173 4.791 136 1HB LYS 19 HB2 LYS 19 4.547 -12.319 4.622 137 2HB LYS 19 HB3 LYS 19 5.202 -11.928 3.028 138 1HG LYS 19 HG2 LYS 19 7.249 -13.183 3.520 139 2HG LYS 19 HG3 LYS 19 6.535 -13.701 5.056 140 1HD LYS 19 HD2 LYS 19 4.460 -14.203 3.304 141 2HD LYS 19 HD3 LYS 19 5.824 -14.466 2.221 142 1HE LYS 19 HE2 LYS 19 6.488 -16.400 3.317 143 2HE LYS 19 HE3 LYS 19 5.983 -15.825 4.912 144 1HZ LYS 19 HZ1 LYS 19 4.082 -16.663 2.841 145 2HZ LYS 19 HZ2 LYS 19 4.598 -17.607 4.088 146 3HZ LYS 19 HZ3 LYS 19 3.748 -16.235 4.395 147 H SER 20 H SER 20 4.195 -10.190 3.285 148 HA SER 20 HA SER 20 5.546 -7.828 2.215 149 1HB SER 20 HB2 SER 20 4.002 -8.363 0.201 150 2HB SER 20 HB3 SER 20 5.413 -9.399 0.471 151 HG SER 20 HG SER 20 3.614 -10.735 0.211 152 H THR 21 H THR 21 4.323 -6.035 1.643 153 HA THR 21 HA THR 21 1.831 -5.711 3.279 154 HB THR 21 HB THR 21 4.241 -3.885 3.067 155 HG1 THR 21 HG1 THR 21 4.368 -5.625 4.551 156 1HG2 THR 21 HG21 THR 21 2.949 -2.151 3.640 157 2HG2 THR 21 HG22 THR 21 1.508 -3.151 3.431 158 3HG2 THR 21 HG23 THR 21 2.310 -3.068 5.015 159 H TRP 22 H TRP 22 0.499 -5.970 1.602 160 HA TRP 22 HA TRP 22 0.712 -4.184 -0.760 161 1HB TRP 22 HB2 TRP 22 -0.744 -6.830 -0.345 162 2HB TRP 22 HB3 TRP 22 -0.941 -5.751 -1.718 163 HD1 TRP 22 HD1 TRP 22 2.640 -6.122 -0.726 164 HE1 TRP 22 HE1 TRP 22 3.882 -7.216 -2.540 165 HE3 TRP 22 HE3 TRP 22 -1.380 -7.865 -3.329 166 HZ2 TRP 22 HZ2 TRP 22 3.217 -8.867 -4.947 167 HZ3 TRP 22 HZ3 TRP 22 -1.071 -9.343 -5.257 168 HH2 TRP 22 HH2 TRP 22 1.232 -9.778 -6.159 169 H LEU 23 H LEU 23 -1.514 -3.461 -1.464 170 HA LEU 23 HA LEU 23 -3.678 -3.311 0.318 171 1HB LEU 23 HB2 LEU 23 -3.367 -0.829 0.928 172 2HB LEU 23 HB3 LEU 23 -2.538 -2.049 1.833 173 HG LEU 23 HG LEU 23 -0.491 -1.548 0.167 174 1HD1 LEU 23 HD11 LEU 23 -2.133 0.978 0.139 175 2HD1 LEU 23 HD12 LEU 23 -0.468 0.854 -0.438 176 3HD1 LEU 23 HD13 LEU 23 -1.756 -0.014 -1.295 177 1HD2 LEU 23 HD21 LEU 23 -0.242 -1.270 2.488 178 2HD2 LEU 23 HD22 LEU 23 0.142 0.314 1.795 179 3HD2 LEU 23 HD23 LEU 23 -1.444 0.038 2.556 180 H ILE 24 H ILE 24 -5.070 -1.283 -0.405 181 HA ILE 24 HA ILE 24 -4.911 -1.073 -3.376 182 HB ILE 24 HB ILE 24 -7.325 -1.582 -1.623 183 1HG1 ILE 24 HG12 ILE 24 -6.346 -3.076 -4.107 184 2HG1 ILE 24 HG13 ILE 24 -5.806 -3.518 -2.490 185 1HG2 ILE 24 HG21 ILE 24 -7.244 -0.939 -4.607 186 2HG2 ILE 24 HG22 ILE 24 -8.694 -1.328 -3.664 187 3HG2 ILE 24 HG23 ILE 24 -7.847 0.171 -3.359 188 1HD1 ILE 24 HD11 ILE 24 -7.732 -4.905 -3.170 189 2HD1 ILE 24 HD12 ILE 24 -8.085 -3.944 -1.742 190 3HD1 ILE 24 HD13 ILE 24 -8.744 -3.457 -3.290 191 H LEU 25 H LEU 25 -4.492 0.954 -3.848 192 HA LEU 25 HA LEU 25 -5.722 3.211 -2.284 193 1HB LEU 25 HB2 LEU 25 -2.962 2.667 -3.274 194 2HB LEU 25 HB3 LEU 25 -3.580 4.303 -3.516 195 HG LEU 25 HG LEU 25 -3.557 4.865 -1.369 196 1HD1 LEU 25 HD11 LEU 25 -4.820 3.256 -0.346 197 2HD1 LEU 25 HD12 LEU 25 -3.731 1.950 -0.825 198 3HD1 LEU 25 HD13 LEU 25 -3.253 3.105 0.463 199 1HD2 LEU 25 HD21 LEU 25 -1.292 4.550 -2.233 200 2HD2 LEU 25 HD22 LEU 25 -1.303 4.154 -0.511 201 3HD2 LEU 25 HD23 LEU 25 -1.256 2.856 -1.703 202 H HIS 26 H HIS 26 -7.566 3.170 -3.514 203 HA HIS 26 HA HIS 26 -8.905 3.861 -5.213 204 1HB HIS 26 HB2 HIS 26 -6.473 5.017 -6.631 205 2HB HIS 26 HB3 HIS 26 -8.167 5.434 -6.856 206 HD1 HIS 26 HD1 HIS 26 -9.206 7.160 -5.101 207 HD2 HIS 26 HD2 HIS 26 -5.223 5.969 -4.419 208 HE1 HIS 26 HE1 HIS 26 -8.266 8.740 -3.356 209 H TYR 27 H TYR 27 -8.422 1.290 -5.306 210 HA TYR 27 HA TYR 27 -8.601 -0.538 -6.604 211 1HB TYR 27 HB2 TYR 27 -8.911 1.271 -9.019 212 2HB TYR 27 HB3 TYR 27 -9.545 -0.345 -8.783 213 HD1 TYR 27 HD1 TYR 27 -10.524 2.996 -8.875 214 HD2 TYR 27 HD2 TYR 27 -10.951 -0.478 -6.376 215 HE1 TYR 27 HE1 TYR 27 -12.610 3.926 -7.923 216 HE2 TYR 27 HE2 TYR 27 -13.109 0.376 -5.532 217 HH TYR 27 HH TYR 27 -14.292 3.644 -6.352 218 H LYS 28 H LYS 28 -5.916 0.869 -6.304 219 HA LYS 28 HA LYS 28 -4.422 -0.513 -8.480 220 1HB LYS 28 HB2 LYS 28 -3.898 2.154 -7.201 221 2HB LYS 28 HB3 LYS 28 -2.758 1.299 -8.249 222 1HG LYS 28 HG2 LYS 28 -4.363 1.436 -10.123 223 2HG LYS 28 HG3 LYS 28 -5.583 2.101 -9.045 224 1HD LYS 28 HD2 LYS 28 -3.413 3.805 -8.668 225 2HD LYS 28 HD3 LYS 28 -3.256 3.387 -10.375 226 1HE LYS 28 HE2 LYS 28 -5.123 4.596 -10.978 227 2HE LYS 28 HE3 LYS 28 -6.051 4.115 -9.559 228 1HZ LYS 28 HZ1 LYS 28 -4.880 5.633 -8.225 229 2HZ LYS 28 HZ2 LYS 28 -3.951 6.145 -9.481 230 3HZ LYS 28 HZ3 LYS 28 -5.577 6.421 -9.489 231 H VAL 29 H VAL 29 -2.950 -1.947 -7.706 232 HA VAL 29 HA VAL 29 -2.718 -2.185 -4.784 233 HB VAL 29 HB VAL 29 -1.800 -4.195 -6.831 234 1HG1 VAL 29 HG11 VAL 29 -2.734 -4.516 -3.942 235 2HG1 VAL 29 HG12 VAL 29 -1.980 -5.749 -4.973 236 3HG1 VAL 29 HG13 VAL 29 -1.029 -4.376 -4.389 237 1HG2 VAL 29 HG21 VAL 29 -4.547 -3.801 -5.619 238 2HG2 VAL 29 HG22 VAL 29 -4.092 -3.923 -7.338 239 3HG2 VAL 29 HG23 VAL 29 -3.980 -5.341 -6.297 240 H TYR 30 H TYR 30 -0.803 -1.988 -3.722 241 HA TYR 30 HA TYR 30 1.658 -1.238 -5.259 242 1HB TYR 30 HB2 TYR 30 0.480 0.048 -2.762 243 2HB TYR 30 HB3 TYR 30 2.041 0.435 -3.481 244 HD1 TYR 30 HD1 TYR 30 2.149 1.409 -5.765 245 HD2 TYR 30 HD2 TYR 30 -1.623 0.785 -3.843 246 HE1 TYR 30 HE1 TYR 30 1.056 2.998 -7.358 247 HE2 TYR 30 HE2 TYR 30 -2.677 2.427 -5.395 248 HH TYR 30 HH TYR 30 -0.692 4.453 -7.545 249 H ASP 31 H ASP 31 3.289 -2.602 -4.747 250 HA ASP 31 HA ASP 31 3.202 -4.173 -2.223 251 1HB ASP 31 HB2 ASP 31 3.786 -5.424 -4.225 252 2HB ASP 31 HB3 ASP 31 5.040 -4.239 -4.645 253 H LEU 32 H LEU 32 4.012 -3.093 -0.467 254 HA LEU 32 HA LEU 32 6.423 -1.385 -0.882 255 1HB LEU 32 HB2 LEU 32 4.398 -1.013 1.269 256 2HB LEU 32 HB3 LEU 32 5.593 0.134 0.784 257 HG LEU 32 HG LEU 32 3.555 -0.579 -1.331 258 1HD1 LEU 32 HD11 LEU 32 1.876 0.785 -0.515 259 2HD1 LEU 32 HD12 LEU 32 2.294 -0.278 0.823 260 3HD1 LEU 32 HD13 LEU 32 2.880 1.404 0.817 261 1HD2 LEU 32 HD21 LEU 32 5.585 0.942 -1.629 262 2HD2 LEU 32 HD22 LEU 32 4.018 1.600 -2.107 263 3HD2 LEU 32 HD23 LEU 32 4.758 2.094 -0.563 264 H THR 33 H THR 33 6.009 -4.336 -0.207 265 HA THR 33 HA THR 33 6.554 -4.982 2.445 266 HB THR 33 HB THR 33 6.081 -6.585 0.681 267 HG1 THR 33 HG1 THR 33 7.417 -7.421 2.507 268 1HG2 THR 33 HG21 THR 33 8.826 -6.484 -0.464 269 2HG2 THR 33 HG22 THR 33 7.329 -7.257 -1.023 270 3HG2 THR 33 HG23 THR 33 7.495 -5.497 -1.094 271 H LYS 34 H LYS 34 8.914 -4.165 -0.109 272 HA LYS 34 HA LYS 34 11.083 -4.063 1.920 273 1HB LYS 34 HB2 LYS 34 10.941 -4.754 -0.979 274 2HB LYS 34 HB3 LYS 34 12.212 -3.606 -0.609 275 1HG LYS 34 HG2 LYS 34 13.374 -5.494 -0.268 276 2HG LYS 34 HG3 LYS 34 12.808 -5.207 1.373 277 1HD LYS 34 HD2 LYS 34 10.807 -6.788 0.710 278 2HD LYS 34 HD3 LYS 34 11.814 -7.193 -0.695 279 1HE LYS 34 HE2 LYS 34 13.648 -7.447 1.374 280 2HE LYS 34 HE3 LYS 34 12.152 -7.848 2.227 281 1HZ LYS 34 HZ1 LYS 34 13.161 -9.160 -0.214 282 2HZ LYS 34 HZ2 LYS 34 13.259 -9.763 1.309 283 3HZ LYS 34 HZ3 LYS 34 11.787 -9.582 0.596 284 H PHE 35 H PHE 35 8.869 -2.158 1.855 285 HA PHE 35 HA PHE 35 10.575 0.240 1.665 286 1HB PHE 35 HB2 PHE 35 8.633 -0.229 -0.199 287 2HB PHE 35 HB3 PHE 35 7.680 0.399 1.069 288 HD1 PHE 35 HD1 PHE 35 7.112 2.673 0.688 289 HD2 PHE 35 HD2 PHE 35 11.133 1.343 -0.201 290 HE1 PHE 35 HE1 PHE 35 7.760 4.985 0.069 291 HE2 PHE 35 HE2 PHE 35 11.762 3.626 -0.797 292 HZ PHE 35 HZ PHE 35 10.088 5.470 -0.681 293 H LEU 36 H LEU 36 9.131 -1.783 3.795 294 HA LEU 36 HA LEU 36 7.429 -0.029 5.267 295 1HB LEU 36 HB2 LEU 36 9.061 -2.443 6.150 296 2HB LEU 36 HB3 LEU 36 7.800 -1.673 7.121 297 HG LEU 36 HG LEU 36 7.325 -2.860 4.346 298 1HD1 LEU 36 HD11 LEU 36 6.544 -4.097 6.995 299 2HD1 LEU 36 HD12 LEU 36 6.452 -4.797 5.360 300 3HD1 LEU 36 HD13 LEU 36 8.030 -4.520 6.106 301 1HD2 LEU 36 HD21 LEU 36 4.912 -2.790 5.245 302 2HD2 LEU 36 HD22 LEU 36 5.504 -1.660 6.464 303 3HD2 LEU 36 HD23 LEU 36 5.618 -1.260 4.731 304 H GLU 37 H GLU 37 10.776 -1.063 6.137 305 HA GLU 37 HA GLU 37 11.144 0.935 8.092 306 1HB GLU 37 HB2 GLU 37 13.516 0.332 7.945 307 2HB GLU 37 HB3 GLU 37 12.469 -1.085 8.013 308 1HG GLU 37 HG2 GLU 37 12.741 -1.385 5.528 309 2HG GLU 37 HG3 GLU 37 13.827 0.017 5.515 310 H GLU 38 H GLU 38 11.514 1.044 4.604 311 HA GLU 38 HA GLU 38 12.970 3.518 4.450 312 1HB GLU 38 HB2 GLU 38 11.171 2.150 2.449 313 2HB GLU 38 HB3 GLU 38 12.282 3.438 2.079 314 1HG GLU 38 HG2 GLU 38 13.824 1.402 3.427 315 2HG GLU 38 HG3 GLU 38 12.847 0.604 2.189 316 H HIS 39 HN HIS 39 9.474 2.685 4.498 317 HA HIS 39 HA HIS 39 8.500 5.074 3.470 318 1HB HIS 39 HB2 HIS 39 7.091 3.129 3.703 319 2HB HIS 39 HB3 HIS 39 7.234 3.189 5.464 320 HD1 HIS 39 HND HIS 39 5.332 4.357 6.636 321 HD2 HIS 39 HD HIS 39 5.746 5.439 2.599 322 HE1 HIS 39 HE HIS 39 3.411 5.931 6.114 323 HA PRO 40 HA PRO 40 9.880 7.664 6.826 324 1HB PRO 40 HB2 PRO 40 8.929 10.109 6.039 325 2HB PRO 40 HB3 PRO 40 10.271 9.264 5.212 326 1HG PRO 40 HG2 PRO 40 7.347 9.256 4.487 327 2HG PRO 40 HG3 PRO 40 8.724 9.595 3.390 328 1HD PRO 40 HD2 PRO 40 7.551 7.161 3.510 329 2HD PRO 40 HD3 PRO 40 9.331 7.286 3.351 330 H GLY 41 H GLY 41 6.472 7.223 6.108 331 1HA GLY 41 HA1 GLY 41 5.403 8.752 8.311 332 2HA GLY 41 HA2 GLY 41 4.579 7.503 7.391 333 H GLY 42 H GLY 42 4.508 5.366 8.193 334 1HA GLY 42 HA1 GLY 42 6.212 4.625 10.471 335 2HA GLY 42 HA2 GLY 42 4.461 4.664 10.761 336 H GLU 43 H GLU 43 6.658 2.420 10.400 337 HA GLU 43 HA GLU 43 5.785 0.862 8.172 338 1HB GLU 43 HB2 GLU 43 6.876 -0.141 10.825 339 2HB GLU 43 HB3 GLU 43 6.940 -0.952 9.264 340 1HG GLU 43 HG2 GLU 43 8.934 0.025 8.868 341 2HG GLU 43 HG3 GLU 43 8.209 1.633 8.918 342 H ALA 44 H ALA 44 4.857 0.972 11.623 343 HA ALA 44 HA ALA 44 3.186 -1.251 11.693 344 1HB ALA 44 HB1 ALA 44 3.984 0.241 13.643 345 2HB ALA 44 HB2 ALA 44 2.563 1.252 13.302 346 3HB ALA 44 HB3 ALA 44 2.356 -0.453 13.746 347 H VAL 45 H VAL 45 2.199 2.168 11.135 348 HA VAL 45 HA VAL 45 -0.483 1.589 10.460 349 HB VAL 45 HB VAL 45 0.218 3.807 11.042 350 1HG1 VAL 45 HG11 VAL 45 1.578 4.027 8.332 351 2HG1 VAL 45 HG12 VAL 45 1.399 5.295 9.557 352 3HG1 VAL 45 HG13 VAL 45 2.403 3.888 9.907 353 1HG2 VAL 45 HG21 VAL 45 -1.017 3.580 8.276 354 2HG2 VAL 45 HG22 VAL 45 -1.853 3.623 9.843 355 3HG2 VAL 45 HG23 VAL 45 -1.007 5.059 9.251 356 H LEU 46 H LEU 46 2.463 1.822 8.182 357 HA LEU 46 HA LEU 46 0.941 1.039 5.917 358 1HB LEU 46 HB2 LEU 46 3.805 0.914 6.785 359 2HB LEU 46 HB3 LEU 46 3.354 -0.198 5.504 360 HG LEU 46 HG LEU 46 4.252 2.182 4.928 361 1HD1 LEU 46 HD11 LEU 46 2.704 2.232 2.902 362 2HD1 LEU 46 HD12 LEU 46 3.630 0.745 3.179 363 3HD1 LEU 46 HD13 LEU 46 1.902 0.808 3.599 364 1HD2 LEU 46 HD21 LEU 46 2.590 3.468 6.295 365 2HD2 LEU 46 HD22 LEU 46 2.624 3.871 4.565 366 3HD2 LEU 46 HD23 LEU 46 1.303 2.929 5.193 367 H ARG 47 H ARG 47 2.117 -1.046 8.513 368 HA ARG 47 HA ARG 47 1.439 -3.462 7.064 369 1HB ARG 47 HB2 ARG 47 3.138 -2.844 9.097 370 2HB ARG 47 HB3 ARG 47 1.823 -3.538 10.027 371 1HG ARG 47 HG2 ARG 47 3.181 -4.846 7.599 372 2HG ARG 47 HG3 ARG 47 3.748 -5.063 9.248 373 1HD ARG 47 HD2 ARG 47 0.992 -5.919 8.248 374 2HD ARG 47 HD3 ARG 47 2.401 -6.963 8.470 375 HE ARG 47 HE ARG 47 1.852 -5.484 10.865 376 1HH1 ARG 47 HH11 ARG 47 0.551 -8.240 12.599 377 2HH1 ARG 47 HH12 ARG 47 1.303 -6.683 12.743 378 1HH2 ARG 47 HH21 ARG 47 0.143 -9.179 10.452 379 2HH2 ARG 47 HH22 ARG 47 0.367 -8.174 9.079 380 H ALA 48 H ALA 48 -0.218 -1.375 9.365 381 HA ALA 48 HA ALA 48 -2.401 -3.230 9.920 382 1HB ALA 48 HB1 ALA 48 -1.965 -1.632 11.590 383 2HB ALA 48 HB2 ALA 48 -1.841 -0.300 10.423 384 3HB ALA 48 HB3 ALA 48 -3.430 -1.014 10.788 385 H GLN 49 H GLN 49 -2.055 -0.261 7.884 386 HA GLN 49 HA GLN 49 -4.610 -0.513 6.625 387 1HB GLN 49 HB2 GLN 49 -2.066 1.092 6.285 388 2HB GLN 49 HB3 GLN 49 -3.118 0.963 4.911 389 1HG GLN 49 HG2 GLN 49 -3.760 2.917 6.117 390 2HG GLN 49 HG3 GLN 49 -5.051 1.721 6.276 391 1HE2 GLN 49 HE21 GLN 49 -5.716 3.220 8.112 392 2HE2 GLN 49 HE22 GLN 49 -4.908 2.992 9.650 393 H ALA 50 H ALA 50 -1.528 -2.108 6.108 394 HA ALA 50 HA ALA 50 -1.821 -2.969 3.531 395 1HB ALA 50 HB1 ALA 50 -0.850 -4.728 5.767 396 2HB ALA 50 HB2 ALA 50 -0.400 -4.815 4.045 397 3HB ALA 50 HB3 ALA 50 0.098 -3.455 5.039 398 H GLY 51 H GLY 51 -2.906 -4.688 2.491 399 1HA GLY 51 HA1 GLY 51 -4.036 -6.892 2.938 400 2HA GLY 51 HA2 GLY 51 -5.177 -5.994 3.959 401 H GLY 52 H GLY 52 -5.393 -3.678 2.343 402 1HA GLY 52 HA1 GLY 52 -5.889 -3.407 -0.161 403 2HA GLY 52 HA2 GLY 52 -6.943 -4.802 0.022 404 H ASP 53 H ASP 53 -6.449 -1.991 2.240 405 HA ASP 53 HA ASP 53 -8.812 -0.655 1.367 406 1HB ASP 53 HB2 ASP 53 -9.831 -2.597 2.698 407 2HB ASP 53 HB3 ASP 53 -9.063 -1.913 4.136 408 H ALA 54 H ALA 54 -6.918 0.771 1.203 409 HA ALA 54 HA ALA 54 -6.587 2.258 3.771 410 1HB ALA 54 HB1 ALA 54 -4.236 2.435 3.502 411 2HB ALA 54 HB2 ALA 54 -4.652 0.699 3.415 412 3HB ALA 54 HB3 ALA 54 -4.260 1.590 1.936 413 H THR 55 H THR 55 -7.954 2.506 0.917 414 HA THR 55 HA THR 55 -6.557 4.646 -0.369 415 HB THR 55 HB THR 55 -9.531 3.999 -0.529 416 HG1 THR 55 HG1 THR 55 -7.496 2.387 -1.129 417 1HG2 THR 55 HG21 THR 55 -9.217 4.824 -2.856 418 2HG2 THR 55 HG22 THR 55 -8.833 6.099 -1.676 419 3HG2 THR 55 HG23 THR 55 -7.523 5.198 -2.462 420 H ALA 56 H ALA 56 -9.429 4.670 1.798 421 HA ALA 56 HA ALA 56 -9.630 7.482 1.967 422 1HB ALA 56 HB1 ALA 56 -10.433 5.838 4.353 423 2HB ALA 56 HB2 ALA 56 -11.314 7.101 3.475 424 3HB ALA 56 HB3 ALA 56 -11.217 5.466 2.806 425 H ASN 57 H ASN 57 -7.820 5.146 3.969 426 HA ASN 57 HA ASN 57 -6.960 6.983 5.961 427 1HB ASN 57 HB2 ASN 57 -5.590 4.427 5.055 428 2HB ASN 57 HB3 ASN 57 -5.400 5.242 6.616 429 1HD2 ASN 57 HD21 ASN 57 -7.174 5.134 8.184 430 2HD2 ASN 57 HD22 ASN 57 -8.426 3.925 7.960 431 H PHE 58 H PHE 58 -5.334 5.751 3.036 432 HA PHE 58 HA PHE 58 -2.871 7.117 3.197 433 1HB PHE 58 HB2 PHE 58 -3.313 5.308 1.640 434 2HB PHE 58 HB3 PHE 58 -4.575 6.230 0.833 435 HD1 PHE 58 HD1 PHE 58 -0.932 6.327 1.607 436 HD2 PHE 58 HD2 PHE 58 -4.043 7.617 -1.058 437 HE1 PHE 58 HE1 PHE 58 0.784 7.034 -0.056 438 HE2 PHE 58 HE2 PHE 58 -2.356 8.399 -2.661 439 HZ PHE 58 HZ PHE 58 0.080 8.085 -2.180 440 H GLU 59 H GLU 59 -5.911 8.034 1.509 441 HA GLU 59 HA GLU 59 -5.026 10.607 0.686 442 1HB GLU 59 HB2 GLU 59 -7.768 9.404 1.104 443 2HB GLU 59 HB3 GLU 59 -7.504 10.985 0.350 444 1HG GLU 59 HG2 GLU 59 -6.122 8.490 -0.729 445 2HG GLU 59 HG3 GLU 59 -7.760 8.934 -1.176 446 H ALA 60 H ALA 60 -6.784 9.527 3.625 447 HA ALA 60 HA ALA 60 -7.342 12.036 4.761 448 1HB ALA 60 HB1 ALA 60 -6.785 9.312 5.958 449 2HB ALA 60 HB2 ALA 60 -6.986 10.723 6.995 450 3HB ALA 60 HB3 ALA 60 -8.296 10.232 5.904 451 H VAL 61 H VAL 61 -4.348 10.042 5.081 452 HA VAL 61 HA VAL 61 -2.956 12.096 6.578 453 HB VAL 61 HB VAL 61 -1.977 9.707 4.973 454 1HG1 VAL 61 HG11 VAL 61 0.131 10.251 6.471 455 2HG1 VAL 61 HG12 VAL 61 -0.056 11.042 4.908 456 3HG1 VAL 61 HG13 VAL 61 -0.465 11.907 6.407 457 1HG2 VAL 61 HG21 VAL 61 -1.982 10.231 7.976 458 2HG2 VAL 61 HG22 VAL 61 -3.287 9.357 7.148 459 3HG2 VAL 61 HG23 VAL 61 -1.645 8.704 7.132 460 H GLY 62 H GLY 62 -2.966 11.212 3.091 461 1HA GLY 62 HA1 GLY 62 -2.809 12.683 1.292 462 2HA GLY 62 HA2 GLY 62 -2.365 14.026 2.358 463 H HIS 63 HN HIS 63 -1.010 13.266 -0.100 464 HA HIS 63 HA HIS 63 1.710 12.613 0.815 465 1HB HIS 63 HB2 HIS 63 -0.071 10.864 -0.931 466 2HB HIS 63 HB3 HIS 63 1.675 10.807 -1.046 467 HD1 HIS 63 HND HIS 63 -1.057 9.938 1.592 468 HD2 HIS 63 HD HIS 63 3.003 9.445 0.676 469 HE1 HIS 63 HE HIS 63 -0.151 8.259 3.264 470 H SER 64 H SER 64 3.101 13.921 -0.363 471 HA SER 64 HA SER 64 2.074 15.806 -2.234 472 1HB SER 64 HB2 SER 64 4.949 14.985 -1.623 473 2HB SER 64 HB3 SER 64 4.478 16.449 -2.505 474 HG SER 64 HG SER 64 3.197 16.978 -0.585 475 H THR 65 H THR 65 3.438 16.207 -4.435 476 HA THR 65 HA THR 65 2.476 14.397 -6.361 477 HB THR 65 HB THR 65 4.143 15.585 -7.833 478 HG1 THR 65 HG1 THR 65 5.494 17.075 -6.888 479 1HG2 THR 65 HG21 THR 65 1.812 16.600 -6.810 480 2HG2 THR 65 HG22 THR 65 2.957 17.823 -6.229 481 3HG2 THR 65 HG23 THR 65 2.836 17.471 -7.962 482 H ASP 66 H ASP 66 5.829 14.852 -5.337 483 HA ASP 66 HA ASP 66 7.085 12.771 -6.553 484 1HB ASP 66 HB2 ASP 66 7.788 14.577 -4.573 485 2HB ASP 66 HB3 ASP 66 7.850 13.064 -3.663 486 H ALA 67 H ALA 67 5.328 12.523 -3.462 487 HA ALA 67 HA ALA 67 5.702 9.723 -3.062 488 1HB ALA 67 HB1 ALA 67 3.510 11.556 -2.040 489 2HB ALA 67 HB2 ALA 67 3.948 9.964 -1.387 490 3HB ALA 67 HB3 ALA 67 5.083 11.329 -1.282 491 H ARG 68 H ARG 68 3.098 11.604 -4.600 492 HA ARG 68 HA ARG 68 1.288 9.493 -5.181 493 1HB ARG 68 HB2 ARG 68 1.454 12.313 -5.659 494 2HB ARG 68 HB3 ARG 68 1.351 11.578 -7.233 495 1HG ARG 68 HG2 ARG 68 -0.831 11.775 -6.891 496 2HG ARG 68 HG3 ARG 68 -0.693 10.215 -6.110 497 1HD ARG 68 HD2 ARG 68 -1.014 11.136 -3.986 498 2HD ARG 68 HD3 ARG 68 -0.286 12.678 -4.389 499 HE ARG 68 HE ARG 68 -3.056 12.050 -4.460 500 1HH1 ARG 68 HH11 ARG 68 -3.974 14.901 -6.354 501 2HH1 ARG 68 HH12 ARG 68 -4.547 13.627 -5.325 502 1HH2 ARG 68 HH21 ARG 68 -1.652 15.044 -6.869 503 2HH2 ARG 68 HH22 ARG 68 -0.590 13.848 -6.183 504 H GLU 69 H GLU 69 4.183 10.655 -6.819 505 HA GLU 69 HA GLU 69 3.819 8.968 -9.212 506 1HB GLU 69 HB2 GLU 69 5.698 11.053 -8.245 507 2HB GLU 69 HB3 GLU 69 6.328 9.918 -9.434 508 1HG GLU 69 HG2 GLU 69 3.632 11.207 -9.957 509 2HG GLU 69 HG3 GLU 69 5.108 12.149 -10.194 510 H LEU 70 H LEU 70 5.787 9.005 -6.240 511 HA LEU 70 HA LEU 70 7.370 6.786 -6.771 512 1HB LEU 70 HB2 LEU 70 7.693 8.353 -4.926 513 2HB LEU 70 HB3 LEU 70 6.235 7.735 -4.155 514 HG LEU 70 HG LEU 70 7.207 5.977 -3.216 515 1HD1 LEU 70 HD11 LEU 70 9.136 4.707 -4.221 516 2HD1 LEU 70 HD12 LEU 70 7.556 4.703 -4.988 517 3HD1 LEU 70 HD13 LEU 70 8.871 5.694 -5.680 518 1HD2 LEU 70 HD21 LEU 70 9.443 7.945 -3.632 519 2HD2 LEU 70 HD22 LEU 70 8.590 7.453 -2.152 520 3HD2 LEU 70 HD23 LEU 70 9.788 6.381 -2.890 521 H SER 71 H SER 71 4.282 6.883 -4.998 522 HA SER 71 HA SER 71 3.669 4.197 -4.708 523 1HB SER 71 HB2 SER 71 1.347 4.748 -4.800 524 2HB SER 71 HB3 SER 71 2.222 6.095 -4.021 525 HG SER 71 HG SER 71 0.872 7.012 -5.492 526 H LYS 72 H LYS 72 2.838 6.049 -7.697 527 HA LYS 72 HA LYS 72 2.096 3.880 -9.299 528 1HB LYS 72 HB2 LYS 72 3.508 6.466 -10.045 529 2HB LYS 72 HB3 LYS 72 2.968 5.296 -11.231 530 1HG LYS 72 HG2 LYS 72 0.845 5.918 -9.259 531 2HG LYS 72 HG3 LYS 72 1.473 7.369 -10.055 532 1HD LYS 72 HD2 LYS 72 1.205 6.328 -12.260 533 2HD LYS 72 HD3 LYS 72 0.564 4.841 -11.526 534 1HE LYS 72 HE2 LYS 72 -1.445 5.931 -10.823 535 2HE LYS 72 HE3 LYS 72 -0.747 7.548 -11.043 536 1HZ LYS 72 HZ1 LYS 72 -0.684 7.148 -13.403 537 2HZ LYS 72 HZ2 LYS 72 -1.390 5.674 -13.225 538 3HZ LYS 72 HZ3 LYS 72 -2.221 7.045 -12.842 539 H THR 73 H THR 73 5.448 5.002 -8.694 540 HA THR 73 HA THR 73 6.721 3.085 -10.422 541 HB THR 73 HB THR 73 7.580 4.994 -8.304 542 HG1 THR 73 HG1 THR 73 7.861 5.603 -10.340 543 1HG2 THR 73 HG21 THR 73 8.662 3.053 -7.333 544 2HG2 THR 73 HG22 THR 73 9.327 2.594 -8.925 545 3HG2 THR 73 HG23 THR 73 9.841 4.098 -8.136 546 H PHE 74 H PHE 74 5.245 2.750 -7.316 547 HA PHE 74 HA PHE 74 6.331 -0.015 -6.946 548 1HB PHE 74 HB2 PHE 74 4.828 1.909 -5.134 549 2HB PHE 74 HB3 PHE 74 4.865 0.192 -4.786 550 HD1 PHE 74 HD1 PHE 74 7.256 -0.973 -4.993 551 HD2 PHE 74 HD2 PHE 74 6.368 3.054 -3.747 552 HE1 PHE 74 HE1 PHE 74 9.403 -0.885 -3.769 553 HE2 PHE 74 HE2 PHE 74 8.509 3.125 -2.498 554 HZ PHE 74 HZ PHE 74 10.022 1.155 -2.507 555 H ILE 75 H ILE 75 3.856 1.373 -8.709 556 HA ILE 75 HA ILE 75 1.645 -0.177 -7.836 557 HB ILE 75 HB ILE 75 1.844 1.754 -9.596 558 1HG1 ILE 75 HG12 ILE 75 -0.243 -0.416 -9.436 559 2HG1 ILE 75 HG13 ILE 75 -0.125 1.131 -8.565 560 1HG2 ILE 75 HG21 ILE 75 1.570 1.060 -11.893 561 2HG2 ILE 75 HG22 ILE 75 3.054 0.335 -11.296 562 3HG2 ILE 75 HG23 ILE 75 1.573 -0.656 -11.420 563 1HD1 ILE 75 HD11 ILE 75 -0.663 0.758 -11.505 564 2HD1 ILE 75 HD12 ILE 75 -1.721 1.464 -10.276 565 3HD1 ILE 75 HD13 ILE 75 -0.227 2.321 -10.742 566 H ILE 76 H ILE 76 1.287 -2.330 -7.930 567 HA ILE 76 HA ILE 76 3.098 -4.029 -9.639 568 HB ILE 76 HB ILE 76 2.164 -5.892 -8.194 569 1HG1 ILE 76 HG12 ILE 76 1.523 -3.599 -6.277 570 2HG1 ILE 76 HG13 ILE 76 0.301 -4.424 -7.241 571 1HG2 ILE 76 HG21 ILE 76 3.926 -5.528 -6.548 572 2HG2 ILE 76 HG22 ILE 76 4.467 -4.893 -8.091 573 3HG2 ILE 76 HG23 ILE 76 3.892 -3.775 -6.840 574 1HD1 ILE 76 HD11 ILE 76 1.079 -5.134 -4.715 575 2HD1 ILE 76 HD12 ILE 76 0.292 -6.227 -5.880 576 3HD1 ILE 76 HD13 ILE 76 2.051 -6.236 -5.696 577 H GLY 77 H GLY 77 -0.125 -2.778 -9.354 578 1HA GLY 77 HA1 GLY 77 -0.956 -3.226 -11.853 579 2HA GLY 77 HA2 GLY 77 -1.345 -4.785 -11.066 580 H GLU 78 H GLU 78 -3.520 -4.399 -11.242 581 HA GLU 78 HA GLU 78 -4.648 -2.245 -9.555 582 1HB GLU 78 HB2 GLU 78 -5.127 -2.947 -12.416 583 2HB GLU 78 HB3 GLU 78 -6.546 -2.576 -11.454 584 1HG GLU 78 HG2 GLU 78 -6.122 -0.416 -11.936 585 2HG GLU 78 HG3 GLU 78 -4.736 -0.521 -10.849 586 H LEU 79 H LEU 79 -6.800 -2.540 -8.989 587 HA LEU 79 HA LEU 79 -7.198 -4.963 -7.492 588 1HB LEU 79 HB2 LEU 79 -8.118 -2.805 -6.792 589 2HB LEU 79 HB3 LEU 79 -8.970 -2.648 -8.323 590 HG LEU 79 HG LEU 79 -10.189 -4.871 -7.640 591 1HD1 LEU 79 HD11 LEU 79 -9.638 -5.793 -5.676 592 2HD1 LEU 79 HD12 LEU 79 -8.468 -4.511 -5.373 593 3HD1 LEU 79 HD13 LEU 79 -10.149 -4.318 -4.840 594 1HD2 LEU 79 HD21 LEU 79 -11.066 -2.599 -5.955 595 2HD2 LEU 79 HD22 LEU 79 -11.054 -2.430 -7.735 596 3HD2 LEU 79 HD23 LEU 79 -11.964 -3.724 -6.989 597 H HIS 80 H HIS 80 -8.195 -6.826 -8.137 598 HA HIS 80 HA HIS 80 -8.704 -7.516 -10.796 599 1HB HIS 80 HB2 HIS 80 -8.467 -8.902 -8.621 600 2HB HIS 80 HB3 HIS 80 -10.226 -8.785 -8.527 601 HD1 HIS 80 HD1 HIS 80 -11.419 -10.603 -10.094 602 HD2 HIS 80 HD2 HIS 80 -7.292 -10.150 -10.693 603 HE1 HIS 80 HE1 HIS 80 -10.742 -12.407 -11.727 604 HA PRO 81 HA PRO 81 -12.622 -5.724 -11.715 605 1HB PRO 81 HB2 PRO 81 -13.419 -7.219 -13.869 606 2HB PRO 81 HB3 PRO 81 -12.183 -5.932 -13.909 607 1HG PRO 81 HG2 PRO 81 -11.747 -8.915 -13.730 608 2HG PRO 81 HG3 PRO 81 -10.852 -7.718 -14.718 609 1HD PRO 81 HD2 PRO 81 -9.954 -8.708 -12.360 610 2HD PRO 81 HD3 PRO 81 -9.559 -7.056 -12.905 611 H ASP 82 H ASP 82 -12.223 -8.899 -10.496 612 HA ASP 82 HA ASP 82 -15.056 -9.602 -10.364 613 1HB ASP 82 HB2 ASP 82 -13.182 -11.280 -10.515 614 2HB ASP 82 HB3 ASP 82 -12.758 -10.843 -8.817 615 H ASP 83 H ASP 83 -12.745 -7.782 -8.459 616 HA ASP 83 HA ASP 83 -14.162 -7.958 -5.907 617 1HB ASP 83 HB2 ASP 83 -11.793 -7.701 -5.839 618 2HB ASP 83 HB3 ASP 83 -11.846 -6.317 -6.949 619 H ARG 84 H ARG 84 -13.650 -5.511 -8.431 620 HA ARG 84 HA ARG 84 -15.316 -3.523 -7.195 621 1HB ARG 84 HB2 ARG 84 -14.902 -2.204 -9.160 622 2HB ARG 84 HB3 ARG 84 -13.407 -3.038 -8.711 623 1HG ARG 84 HG2 ARG 84 -14.092 -4.840 -10.429 624 2HG ARG 84 HG3 ARG 84 -15.367 -3.750 -10.944 625 1HD ARG 84 HD2 ARG 84 -13.480 -3.486 -12.434 626 2HD ARG 84 HD3 ARG 84 -13.777 -2.011 -11.486 627 HE ARG 84 HE ARG 84 -11.783 -3.837 -10.325 628 1HH1 ARG 84 HH11 ARG 84 -9.126 -1.587 -10.979 629 2HH1 ARG 84 HH12 ARG 84 -9.532 -3.170 -10.398 630 1HH2 ARG 84 HH21 ARG 84 -10.652 -0.542 -12.455 631 2HH2 ARG 84 HH22 ARG 84 -12.261 -1.184 -12.604 632 HHA HEM 201 HGM HEM 201 4.745 10.890 5.189 633 HHB HEM 201 HDM HEM 201 5.861 7.708 -0.346 634 HHC HEM 201 HAM HEM 201 0.911 3.786 0.979 635 HHD HEM 201 HBM HEM 201 0.185 6.630 6.715 636 1HMA HEM 201 HM81 HEM 201 7.996 9.360 0.595 637 2HMA HEM 201 HM82 HEM 201 6.697 9.908 -0.478 638 3HMA HEM 201 HM83 HEM 201 7.466 11.055 0.608 639 1HAA HEM 201 HAA1 HEM 201 6.659 11.698 4.140 640 2HAA HEM 201 HAA2 HEM 201 7.169 12.057 2.509 641 1HBA HEM 201 HBA1 HEM 201 5.499 13.654 3.706 642 2HBA HEM 201 HBA2 HEM 201 4.261 12.462 3.326 643 1HMB HEM 201 HM11 HEM 201 5.052 6.611 -2.354 644 2HMB HEM 201 HM12 HEM 201 5.835 5.126 -1.731 645 3HMB HEM 201 HM13 HEM 201 4.375 5.022 -2.717 646 HAB HEM 201 HT2A HEM 201 2.376 2.822 -1.144 647 1HBB HEM 201 HV2C HEM 201 1.039 5.295 -2.181 648 2HBB HEM 201 HV2T HEM 201 0.837 3.508 -2.719 649 1HMC HEM 201 HM31 HEM 201 -0.600 2.318 2.947 650 2HMC HEM 201 HM32 HEM 201 -2.055 3.240 3.374 651 3HMC HEM 201 HM33 HEM 201 -1.323 3.451 1.780 652 HAC HEM 201 HT4A HEM 201 -1.478 3.661 6.009 653 1HBC HEM 201 HV4C HEM 201 -2.338 6.578 5.553 654 2HBC HEM 201 HV4T HEM 201 -3.125 5.322 6.684 655 1HMD HEM 201 HM51 HEM 201 1.910 7.841 9.072 656 2HMD HEM 201 HM52 HEM 201 1.248 9.483 8.926 657 3HMD HEM 201 HM53 HEM 201 0.306 8.109 8.360 658 1HAD HEM 201 HAD1 HEM 201 3.550 10.113 8.724 659 2HAD HEM 201 HAD2 HEM 201 4.599 10.713 7.468 660 1HBD HEM 201 HBD1 HEM 201 1.868 11.818 7.342 661 2HBD HEM 201 HBD2 HEM 201 2.700 12.172 8.862 Start of MODEL 34 1 1H ALA 3 H1 ALA 3 2.749 -10.481 -15.465 2 2H ALA 3 H2 ALA 3 2.207 -11.659 -16.453 3 3H ALA 3 H3 ALA 3 3.699 -10.982 -16.752 4 HA ALA 3 HA ALA 3 2.828 -9.025 -17.520 5 1HB ALA 3 HB1 ALA 3 0.554 -11.001 -18.079 6 2HB ALA 3 HB2 ALA 3 0.903 -9.519 -18.991 7 3HB ALA 3 HB3 ALA 3 2.046 -10.871 -19.038 8 H VAL 4 H VAL 4 0.281 -7.862 -17.639 9 HA VAL 4 HA VAL 4 -0.236 -7.172 -14.890 10 HB VAL 4 HB VAL 4 -1.940 -6.785 -17.373 11 1HG1 VAL 4 HG11 VAL 4 -2.237 -5.583 -14.587 12 2HG1 VAL 4 HG12 VAL 4 -3.111 -5.039 -16.031 13 3HG1 VAL 4 HG13 VAL 4 -3.389 -6.664 -15.405 14 1HG2 VAL 4 HG21 VAL 4 -0.106 -4.877 -15.852 15 2HG2 VAL 4 HG22 VAL 4 0.232 -5.569 -17.455 16 3HG2 VAL 4 HG23 VAL 4 -1.119 -4.444 -17.245 17 H LYS 5 H LYS 5 -1.522 -8.130 -13.485 18 HA LYS 5 HA LYS 5 -3.681 -9.957 -14.255 19 1HB LYS 5 HB2 LYS 5 -1.955 -11.594 -13.931 20 2HB LYS 5 HB3 LYS 5 -1.301 -10.737 -12.521 21 1HG LYS 5 HG2 LYS 5 -3.244 -11.240 -11.197 22 2HG LYS 5 HG3 LYS 5 -4.085 -11.977 -12.586 23 1HD LYS 5 HD2 LYS 5 -2.685 -13.894 -12.543 24 2HD LYS 5 HD3 LYS 5 -1.385 -13.037 -11.714 25 1HE LYS 5 HE2 LYS 5 -2.502 -14.661 -10.212 26 2HE LYS 5 HE3 LYS 5 -2.546 -13.000 -9.614 27 1HZ LYS 5 HZ1 LYS 5 -4.817 -12.825 -10.374 28 2HZ LYS 5 HZ2 LYS 5 -4.790 -14.379 -10.934 29 3HZ LYS 5 HZ3 LYS 5 -4.650 -14.077 -9.326 30 H TYR 6 H TYR 6 -5.349 -8.948 -13.235 31 HA TYR 6 HA TYR 6 -4.957 -7.118 -11.071 32 1HB TYR 6 HB2 TYR 6 -7.514 -8.543 -11.870 33 2HB TYR 6 HB3 TYR 6 -7.317 -7.088 -10.883 34 HD1 TYR 6 HD1 TYR 6 -7.108 -8.427 -14.357 35 HD2 TYR 6 HD2 TYR 6 -7.125 -4.924 -11.855 36 HE1 TYR 6 HE1 TYR 6 -7.183 -6.994 -16.369 37 HE2 TYR 6 HE2 TYR 6 -7.223 -3.484 -13.880 38 HH TYR 6 HH TYR 6 -7.252 -4.833 -17.182 39 H TYR 7 H TYR 7 -5.674 -7.409 -8.859 40 HA TYR 7 HA TYR 7 -5.430 -10.234 -7.876 41 1HB TYR 7 HB2 TYR 7 -4.462 -7.768 -6.424 42 2HB TYR 7 HB3 TYR 7 -4.161 -9.447 -6.025 43 HD1 TYR 7 HD1 TYR 7 -2.901 -10.834 -8.004 44 HD2 TYR 7 HD2 TYR 7 -2.785 -6.556 -7.525 45 HE1 TYR 7 HE1 TYR 7 -0.852 -10.710 -9.417 46 HE2 TYR 7 HE2 TYR 7 -0.707 -6.458 -8.807 47 HH TYR 7 HH TYR 7 0.689 -7.585 -10.263 48 H THR 8 H THR 8 -6.996 -10.877 -6.437 49 HA THR 8 HA THR 8 -9.325 -9.147 -6.079 50 HB THR 8 HB THR 8 -10.268 -11.054 -4.907 51 HG1 THR 8 HG1 THR 8 -8.047 -12.670 -5.299 52 1HG2 THR 8 HG21 THR 8 -10.315 -11.172 -7.372 53 2HG2 THR 8 HG22 THR 8 -8.753 -12.021 -7.380 54 3HG2 THR 8 HG23 THR 8 -10.171 -12.781 -6.643 55 H LEU 9 H LEU 9 -10.171 -8.592 -3.951 56 HA LEU 9 HA LEU 9 -8.414 -7.475 -2.091 57 1HB LEU 9 HB2 LEU 9 -11.122 -7.607 -2.430 58 2HB LEU 9 HB3 LEU 9 -10.965 -8.637 -1.029 59 HG LEU 9 HG LEU 9 -9.892 -5.783 -1.288 60 1HD1 LEU 9 HD11 LEU 9 -11.835 -5.804 0.719 61 2HD1 LEU 9 HD12 LEU 9 -12.023 -5.193 -0.932 62 3HD1 LEU 9 HD13 LEU 9 -12.530 -6.840 -0.537 63 1HD2 LEU 9 HD21 LEU 9 -8.510 -7.026 0.292 64 2HD2 LEU 9 HD22 LEU 9 -9.550 -5.910 1.174 65 3HD2 LEU 9 HD23 LEU 9 -9.958 -7.640 1.127 66 H GLU 10 H GLU 10 -9.859 -10.712 -2.198 67 HA GLU 10 HA GLU 10 -8.808 -11.845 0.127 68 1HB GLU 10 HB2 GLU 10 -10.457 -12.888 -1.406 69 2HB GLU 10 HB3 GLU 10 -9.185 -13.218 -2.561 70 1HG GLU 10 HG2 GLU 10 -9.697 -15.210 -1.205 71 2HG GLU 10 HG3 GLU 10 -8.028 -14.692 -1.007 72 H GLU 11 H GLU 11 -7.400 -12.087 -3.172 73 HA GLU 11 HA GLU 11 -4.989 -13.321 -2.487 74 1HB GLU 11 HB2 GLU 11 -5.911 -11.547 -4.720 75 2HB GLU 11 HB3 GLU 11 -4.194 -11.507 -4.415 76 1HG GLU 11 HG2 GLU 11 -4.440 -13.169 -6.039 77 2HG GLU 11 HG3 GLU 11 -4.171 -14.062 -4.537 78 H ILE 12 H ILE 12 -5.701 -9.815 -2.623 79 HA ILE 12 HA ILE 12 -3.117 -8.951 -1.852 80 HB ILE 12 HB ILE 12 -5.813 -7.592 -1.560 81 1HG1 ILE 12 HG12 ILE 12 -3.748 -7.131 -3.766 82 2HG1 ILE 12 HG13 ILE 12 -4.920 -8.409 -3.938 83 1HG2 ILE 12 HG21 ILE 12 -3.081 -6.284 -1.776 84 2HG2 ILE 12 HG22 ILE 12 -4.628 -5.478 -1.507 85 3HG2 ILE 12 HG23 ILE 12 -3.926 -6.488 -0.234 86 1HD1 ILE 12 HD11 ILE 12 -6.761 -6.750 -3.590 87 2HD1 ILE 12 HD12 ILE 12 -5.524 -5.468 -3.643 88 3HD1 ILE 12 HD13 ILE 12 -5.810 -6.499 -5.050 89 H GLN 13 H GLN 13 -6.004 -9.641 0.164 90 HA GLN 13 HA GLN 13 -4.994 -9.057 2.702 91 1HB GLN 13 HB2 GLN 13 -7.113 -10.852 1.553 92 2HB GLN 13 HB3 GLN 13 -6.671 -11.099 3.221 93 1HG GLN 13 HG2 GLN 13 -7.353 -8.319 2.223 94 2HG GLN 13 HG3 GLN 13 -8.617 -9.499 2.598 95 1HE2 GLN 13 HE21 GLN 13 -9.464 -8.417 4.439 96 2HE2 GLN 13 HE22 GLN 13 -8.533 -8.300 5.922 97 H LYS 14 H LYS 14 -4.090 -11.779 0.584 98 HA LYS 14 HA LYS 14 -3.067 -13.370 2.810 99 1HB LYS 14 HB2 LYS 14 -2.583 -13.534 -0.174 100 2HB LYS 14 HB3 LYS 14 -1.941 -14.662 0.991 101 1HG LYS 14 HG2 LYS 14 -4.941 -14.139 0.801 102 2HG LYS 14 HG3 LYS 14 -4.107 -15.235 -0.302 103 1HD LYS 14 HD2 LYS 14 -3.185 -16.496 1.645 104 2HD LYS 14 HD3 LYS 14 -4.161 -15.511 2.745 105 1HE LYS 14 HE2 LYS 14 -5.351 -17.136 0.433 106 2HE LYS 14 HE3 LYS 14 -5.045 -17.841 2.023 107 1HZ LYS 14 HZ1 LYS 14 -7.307 -17.070 1.817 108 2HZ LYS 14 HZ2 LYS 14 -6.550 -16.213 2.986 109 3HZ LYS 14 HZ3 LYS 14 -6.881 -15.552 1.539 110 H HIS 15 H HIS 15 -1.951 -10.493 1.228 111 HA HIS 15 HA HIS 15 0.912 -11.001 1.990 112 1HB HIS 15 HB2 HIS 15 -0.322 -9.372 -0.265 113 2HB HIS 15 HB3 HIS 15 1.368 -9.271 0.242 114 HD1 HIS 15 HD1 HIS 15 2.842 -10.495 -1.416 115 HD2 HIS 15 HD2 HIS 15 -0.965 -12.197 -0.939 116 HE1 HIS 15 HE1 HIS 15 2.744 -12.509 -2.974 117 H ASN 16 H ASN 16 -0.239 -10.244 4.136 118 HA ASN 16 HA ASN 16 -0.471 -7.267 4.206 119 1HB ASN 16 HB2 ASN 16 -1.209 -9.315 6.313 120 2HB ASN 16 HB3 ASN 16 -1.427 -7.560 6.426 121 1HD2 ASN 16 HD21 ASN 16 -3.727 -8.687 6.831 122 2HD2 ASN 16 HD22 ASN 16 -4.691 -8.848 5.370 123 H ASN 17 H ASN 17 1.176 -9.946 5.876 124 HA ASN 17 HA ASN 17 3.444 -8.260 6.628 125 1HB ASN 17 HB2 ASN 17 1.769 -8.054 8.494 126 2HB ASN 17 HB3 ASN 17 1.776 -9.820 8.631 127 1HD2 ASN 17 HD21 ASN 17 2.394 -9.327 10.922 128 2HD2 ASN 17 HD22 ASN 17 4.093 -9.076 11.264 129 H SER 18 H SER 18 5.138 -9.776 7.553 130 HA SER 18 HA SER 18 6.469 -11.554 7.480 131 1HB SER 18 HB2 SER 18 4.045 -13.306 6.931 132 2HB SER 18 HB3 SER 18 5.595 -13.760 7.653 133 HG SER 18 HG SER 18 4.009 -13.363 9.259 134 H LYS 19 H LYS 19 4.073 -12.108 4.865 135 HA LYS 19 HA LYS 19 6.108 -13.158 3.018 136 1HB LYS 19 HB2 LYS 19 3.156 -12.463 2.788 137 2HB LYS 19 HB3 LYS 19 4.108 -13.116 1.442 138 1HG LYS 19 HG2 LYS 19 4.474 -15.186 2.513 139 2HG LYS 19 HG3 LYS 19 4.011 -14.582 4.101 140 1HD LYS 19 HD2 LYS 19 1.829 -14.186 2.179 141 2HD LYS 19 HD3 LYS 19 2.339 -15.876 2.182 142 1HE LYS 19 HE2 LYS 19 1.925 -16.117 4.541 143 2HE LYS 19 HE3 LYS 19 1.802 -14.361 4.781 144 1HZ LYS 19 HZ1 LYS 19 -0.178 -14.331 3.504 145 2HZ LYS 19 HZ2 LYS 19 -0.127 -15.958 3.250 146 3HZ LYS 19 HZ3 LYS 19 -0.345 -15.365 4.775 147 H SER 20 H SER 20 3.837 -10.346 2.993 148 HA SER 20 HA SER 20 5.833 -8.492 2.377 149 1HB SER 20 HB2 SER 20 5.640 -9.482 0.052 150 2HB SER 20 HB3 SER 20 3.923 -9.019 0.053 151 HG SER 20 HG SER 20 5.265 -7.413 -0.927 152 H THR 21 H THR 21 4.401 -6.439 1.495 153 HA THR 21 HA THR 21 1.881 -6.203 3.067 154 HB THR 21 HB THR 21 4.224 -4.279 2.931 155 HG1 THR 21 HG1 THR 21 3.092 -5.881 4.971 156 1HG2 THR 21 HG21 THR 21 2.518 -3.297 4.860 157 2HG2 THR 21 HG22 THR 21 2.750 -2.654 3.224 158 3HG2 THR 21 HG23 THR 21 1.421 -3.760 3.534 159 H TRP 22 H TRP 22 0.610 -6.407 1.317 160 HA TRP 22 HA TRP 22 0.797 -4.478 -0.925 161 1HB TRP 22 HB2 TRP 22 -0.896 -6.980 -0.541 162 2HB TRP 22 HB3 TRP 22 -0.943 -5.875 -1.917 163 HD1 TRP 22 HD1 TRP 22 2.595 -6.513 -1.074 164 HE1 TRP 22 HE1 TRP 22 3.641 -7.975 -2.777 165 HE3 TRP 22 HE3 TRP 22 -1.674 -8.140 -3.382 166 HZ2 TRP 22 HZ2 TRP 22 2.755 -9.810 -4.906 167 HZ3 TRP 22 HZ3 TRP 22 -1.543 -9.779 -5.224 168 HH2 TRP 22 HH2 TRP 22 0.668 -10.593 -6.027 169 H LEU 23 H LEU 23 -1.420 -3.534 -1.459 170 HA LEU 23 HA LEU 23 -3.554 -3.480 0.370 171 1HB LEU 23 HB2 LEU 23 -3.196 -1.011 1.085 172 2HB LEU 23 HB3 LEU 23 -2.421 -2.300 1.972 173 HG LEU 23 HG LEU 23 -0.285 -1.883 0.661 174 1HD1 LEU 23 HD11 LEU 23 -1.824 0.581 -0.191 175 2HD1 LEU 23 HD12 LEU 23 -0.081 0.343 -0.420 176 3HD1 LEU 23 HD13 LEU 23 -1.226 -0.687 -1.283 177 1HD2 LEU 23 HD21 LEU 23 0.266 0.181 1.874 178 2HD2 LEU 23 HD22 LEU 23 -1.446 0.352 2.338 179 3HD2 LEU 23 HD23 LEU 23 -0.501 -1.044 2.909 180 H ILE 24 H ILE 24 -5.024 -1.488 -0.276 181 HA ILE 24 HA ILE 24 -4.825 -1.160 -3.244 182 HB ILE 24 HB ILE 24 -7.246 -1.582 -1.480 183 1HG1 ILE 24 HG12 ILE 24 -6.489 -3.171 -3.952 184 2HG1 ILE 24 HG13 ILE 24 -5.697 -3.539 -2.423 185 1HG2 ILE 24 HG21 ILE 24 -8.512 -1.460 -3.689 186 2HG2 ILE 24 HG22 ILE 24 -7.860 0.088 -3.165 187 3HG2 ILE 24 HG23 ILE 24 -7.028 -0.839 -4.432 188 1HD1 ILE 24 HD11 ILE 24 -7.774 -4.921 -2.767 189 2HD1 ILE 24 HD12 ILE 24 -7.766 -3.986 -1.274 190 3HD1 ILE 24 HD13 ILE 24 -8.738 -3.442 -2.643 191 H LEU 25 H LEU 25 -4.250 0.897 -3.673 192 HA LEU 25 HA LEU 25 -5.664 3.120 -2.249 193 1HB LEU 25 HB2 LEU 25 -2.978 3.119 -3.632 194 2HB LEU 25 HB3 LEU 25 -3.898 4.512 -3.136 195 HG LEU 25 HG LEU 25 -3.032 4.581 -1.186 196 1HD1 LEU 25 HD11 LEU 25 -4.647 3.089 -0.313 197 2HD1 LEU 25 HD12 LEU 25 -3.616 1.684 -0.660 198 3HD1 LEU 25 HD13 LEU 25 -3.100 2.901 0.520 199 1HD2 LEU 25 HD21 LEU 25 -1.339 2.180 -1.971 200 2HD2 LEU 25 HD22 LEU 25 -1.012 3.872 -2.382 201 3HD2 LEU 25 HD23 LEU 25 -0.953 3.344 -0.698 202 H HIS 26 H HIS 26 -7.354 3.649 -3.511 203 HA HIS 26 HA HIS 26 -8.629 4.162 -5.314 204 1HB HIS 26 HB2 HIS 26 -6.009 4.934 -6.640 205 2HB HIS 26 HB3 HIS 26 -7.627 5.491 -7.078 206 HD1 HIS 26 HD1 HIS 26 -8.783 7.274 -5.337 207 HD2 HIS 26 HD2 HIS 26 -4.827 6.074 -4.561 208 HE1 HIS 26 HE1 HIS 26 -7.867 8.889 -3.605 209 H TYR 27 H TYR 27 -8.305 1.523 -5.164 210 HA TYR 27 HA TYR 27 -8.551 -0.415 -6.282 211 1HB TYR 27 HB2 TYR 27 -8.848 1.172 -8.842 212 2HB TYR 27 HB3 TYR 27 -9.484 -0.417 -8.476 213 HD1 TYR 27 HD1 TYR 27 -10.867 -0.172 -5.922 214 HD2 TYR 27 HD2 TYR 27 -10.680 2.578 -9.241 215 HE1 TYR 27 HE1 TYR 27 -13.234 0.437 -5.566 216 HE2 TYR 27 HE2 TYR 27 -12.979 3.329 -8.737 217 HH TYR 27 HH TYR 27 -14.818 3.101 -7.346 218 H LYS 28 H LYS 28 -5.734 1.103 -6.335 219 HA LYS 28 HA LYS 28 -4.505 -0.751 -8.327 220 1HB LYS 28 HB2 LYS 28 -3.462 1.905 -7.327 221 2HB LYS 28 HB3 LYS 28 -2.689 0.798 -8.469 222 1HG LYS 28 HG2 LYS 28 -5.107 1.139 -9.689 223 2HG LYS 28 HG3 LYS 28 -5.033 2.655 -8.782 224 1HD LYS 28 HD2 LYS 28 -2.759 3.084 -9.787 225 2HD LYS 28 HD3 LYS 28 -2.885 1.553 -10.656 226 1HE LYS 28 HE2 LYS 28 -3.852 2.604 -12.368 227 2HE LYS 28 HE3 LYS 28 -5.283 2.820 -11.357 228 1HZ LYS 28 HZ1 LYS 28 -4.567 4.896 -12.230 229 2HZ LYS 28 HZ2 LYS 28 -4.328 4.911 -10.598 230 3HZ LYS 28 HZ3 LYS 28 -3.049 4.709 -11.623 231 H VAL 29 H VAL 29 -2.996 -2.202 -7.619 232 HA VAL 29 HA VAL 29 -2.677 -2.387 -4.707 233 HB VAL 29 HB VAL 29 -1.868 -4.409 -6.794 234 1HG1 VAL 29 HG11 VAL 29 -2.655 -4.722 -3.860 235 2HG1 VAL 29 HG12 VAL 29 -2.011 -5.974 -4.948 236 3HG1 VAL 29 HG13 VAL 29 -0.977 -4.642 -4.415 237 1HG2 VAL 29 HG21 VAL 29 -4.083 -5.474 -6.136 238 2HG2 VAL 29 HG22 VAL 29 -4.535 -3.917 -5.423 239 3HG2 VAL 29 HG23 VAL 29 -4.199 -4.047 -7.168 240 H TYR 30 H TYR 30 -0.774 -2.156 -3.663 241 HA TYR 30 HA TYR 30 1.695 -1.554 -5.245 242 1HB TYR 30 HB2 TYR 30 0.592 -0.243 -2.742 243 2HB TYR 30 HB3 TYR 30 2.176 0.085 -3.414 244 HD1 TYR 30 HD1 TYR 30 2.373 1.160 -5.669 245 HD2 TYR 30 HD2 TYR 30 -1.461 0.578 -3.820 246 HE1 TYR 30 HE1 TYR 30 1.332 2.696 -7.324 247 HE2 TYR 30 HE2 TYR 30 -2.472 2.142 -5.445 248 HH TYR 30 HH TYR 30 -0.529 3.833 -7.924 249 H ASP 31 H ASP 31 3.140 -3.200 -4.895 250 HA ASP 31 HA ASP 31 3.233 -4.639 -2.296 251 1HB ASP 31 HB2 ASP 31 3.671 -5.979 -4.310 252 2HB ASP 31 HB3 ASP 31 4.950 -4.848 -4.798 253 H LEU 32 H LEU 32 4.172 -3.431 -0.651 254 HA LEU 32 HA LEU 32 6.654 -1.960 -1.370 255 1HB LEU 32 HB2 LEU 32 4.821 -1.366 0.970 256 2HB LEU 32 HB3 LEU 32 6.267 -0.540 0.469 257 HG LEU 32 HG LEU 32 4.603 -0.596 -1.856 258 1HD1 LEU 32 HD11 LEU 32 2.501 0.340 -1.099 259 2HD1 LEU 32 HD12 LEU 32 2.738 -1.201 -0.266 260 3HD1 LEU 32 HD13 LEU 32 3.039 0.325 0.592 261 1HD2 LEU 32 HD21 LEU 32 4.663 1.772 -1.657 262 2HD2 LEU 32 HD22 LEU 32 5.055 1.677 0.082 263 3HD2 LEU 32 HD23 LEU 32 6.223 1.118 -1.142 264 H THR 33 H THR 33 5.711 -2.867 1.884 265 HA THR 33 HA THR 33 6.610 -4.058 3.435 266 HB THR 33 HB THR 33 6.261 -5.825 1.465 267 HG1 THR 33 HG1 THR 33 5.560 -5.917 3.683 268 1HG2 THR 33 HG21 THR 33 8.958 -6.499 2.662 269 2HG2 THR 33 HG22 THR 33 7.911 -7.587 1.736 270 3HG2 THR 33 HG23 THR 33 8.586 -6.159 0.942 271 H LYS 34 H LYS 34 9.093 -3.942 0.830 272 HA LYS 34 HA LYS 34 11.354 -3.864 2.648 273 1HB LYS 34 HB2 LYS 34 10.978 -3.186 -0.296 274 2HB LYS 34 HB3 LYS 34 12.548 -3.227 0.513 275 1HG LYS 34 HG2 LYS 34 12.665 -5.483 0.505 276 2HG LYS 34 HG3 LYS 34 10.987 -5.690 0.999 277 1HD LYS 34 HD2 LYS 34 10.241 -5.220 -1.365 278 2HD LYS 34 HD3 LYS 34 11.936 -5.029 -1.823 279 1HE LYS 34 HE2 LYS 34 11.257 -7.233 -2.486 280 2HE LYS 34 HE3 LYS 34 12.382 -7.404 -1.132 281 1HZ LYS 34 HZ1 LYS 34 10.461 -7.744 0.301 282 2HZ LYS 34 HZ2 LYS 34 9.433 -7.562 -0.976 283 3HZ LYS 34 HZ3 LYS 34 10.468 -8.837 -0.923 284 H PHE 35 H PHE 35 8.991 -1.612 1.498 285 HA PHE 35 HA PHE 35 10.665 0.799 1.897 286 1HB PHE 35 HB2 PHE 35 8.858 0.315 0.006 287 2HB PHE 35 HB3 PHE 35 7.737 0.683 1.285 288 HD1 PHE 35 HD1 PHE 35 10.922 2.195 -0.057 289 HD2 PHE 35 HD2 PHE 35 6.893 2.882 1.329 290 HE1 PHE 35 HE1 PHE 35 11.228 4.617 -0.374 291 HE2 PHE 35 HE2 PHE 35 7.172 5.304 0.910 292 HZ PHE 35 HZ PHE 35 9.352 6.189 0.098 293 H LEU 36 H LEU 36 8.978 -1.331 3.966 294 HA LEU 36 HA LEU 36 7.251 0.415 5.348 295 1HB LEU 36 HB2 LEU 36 8.843 -2.003 6.267 296 2HB LEU 36 HB3 LEU 36 7.594 -1.229 7.237 297 HG LEU 36 HG LEU 36 7.054 -2.273 4.458 298 1HD1 LEU 36 HD11 LEU 36 6.091 -4.294 5.687 299 2HD1 LEU 36 HD12 LEU 36 7.825 -4.118 6.036 300 3HD1 LEU 36 HD13 LEU 36 6.625 -3.569 7.218 301 1HD2 LEU 36 HD21 LEU 36 5.185 -1.536 6.728 302 2HD2 LEU 36 HD22 LEU 36 5.391 -0.724 5.154 303 3HD2 LEU 36 HD23 LEU 36 4.714 -2.354 5.217 304 H GLU 37 H GLU 37 10.610 -0.484 6.121 305 HA GLU 37 HA GLU 37 10.864 1.305 8.326 306 1HB GLU 37 HB2 GLU 37 12.268 -0.795 7.569 307 2HB GLU 37 HB3 GLU 37 13.221 0.392 6.669 308 1HG GLU 37 HG2 GLU 37 13.715 1.570 8.786 309 2HG GLU 37 HG3 GLU 37 12.618 0.487 9.664 310 H GLU 38 H GLU 38 11.461 1.648 4.852 311 HA GLU 38 HA GLU 38 12.811 4.150 4.834 312 1HB GLU 38 HB2 GLU 38 11.007 2.849 2.767 313 2HB GLU 38 HB3 GLU 38 12.098 4.161 2.450 314 1HG GLU 38 HG2 GLU 38 13.989 2.652 3.310 315 2HG GLU 38 HG3 GLU 38 12.845 1.307 3.170 316 H HIS 39 HN HIS 39 9.400 3.258 4.670 317 HA HIS 39 HA HIS 39 8.303 5.634 3.807 318 1HB HIS 39 HB2 HIS 39 7.107 3.526 3.872 319 2HB HIS 39 HB3 HIS 39 7.125 3.522 5.638 320 HD1 HIS 39 HND HIS 39 4.889 4.279 6.620 321 HD2 HIS 39 HD HIS 39 5.749 5.864 2.807 322 HE1 HIS 39 HE HIS 39 2.850 5.621 5.896 323 HA PRO 40 HA PRO 40 9.309 8.062 7.448 324 1HB PRO 40 HB2 PRO 40 8.166 10.475 6.817 325 2HB PRO 40 HB3 PRO 40 9.649 9.843 6.041 326 1HG PRO 40 HG2 PRO 40 6.812 9.636 5.027 327 2HG PRO 40 HG3 PRO 40 8.249 10.201 4.120 328 1HD PRO 40 HD2 PRO 40 7.346 7.669 3.888 329 2HD PRO 40 HD3 PRO 40 9.109 7.977 3.963 330 H GLY 41 H GLY 41 5.970 7.555 6.363 331 1HA GLY 41 HA1 GLY 41 4.693 8.403 8.821 332 2HA GLY 41 HA2 GLY 41 4.031 7.325 7.584 333 H GLY 42 H GLY 42 6.807 5.754 8.143 334 1HA GLY 42 HA1 GLY 42 7.601 4.392 9.855 335 2HA GLY 42 HA2 GLY 42 6.032 4.398 10.672 336 H GLU 43 H GLU 43 7.000 2.066 10.481 337 HA GLU 43 HA GLU 43 6.270 0.571 8.071 338 1HB GLU 43 HB2 GLU 43 7.059 -1.347 9.300 339 2HB GLU 43 HB3 GLU 43 8.276 -0.064 9.382 340 1HG GLU 43 HG2 GLU 43 6.427 -1.043 11.614 341 2HG GLU 43 HG3 GLU 43 8.144 -1.350 11.423 342 H ALA 44 H ALA 44 5.323 1.009 11.452 343 HA ALA 44 HA ALA 44 3.303 -0.835 11.679 344 1HB ALA 44 HB1 ALA 44 3.385 1.932 12.955 345 2HB ALA 44 HB2 ALA 44 2.432 0.542 13.527 346 3HB ALA 44 HB3 ALA 44 4.206 0.472 13.546 347 H VAL 45 H VAL 45 2.850 2.581 10.566 348 HA VAL 45 HA VAL 45 0.085 2.440 10.226 349 HB VAL 45 HB VAL 45 0.251 4.394 8.919 350 1HG1 VAL 45 HG11 VAL 45 0.564 4.570 11.375 351 2HG1 VAL 45 HG12 VAL 45 2.328 4.496 11.137 352 3HG1 VAL 45 HG13 VAL 45 1.404 5.847 10.473 353 1HG2 VAL 45 HG21 VAL 45 2.445 5.380 8.335 354 2HG2 VAL 45 HG22 VAL 45 3.217 3.857 8.844 355 3HG2 VAL 45 HG23 VAL 45 2.107 3.888 7.450 356 H LEU 46 H LEU 46 2.683 1.628 7.889 357 HA LEU 46 HA LEU 46 0.830 1.055 5.740 358 1HB LEU 46 HB2 LEU 46 3.761 0.610 6.281 359 2HB LEU 46 HB3 LEU 46 2.996 -0.361 5.018 360 HG LEU 46 HG LEU 46 2.836 2.676 5.048 361 1HD1 LEU 46 HD11 LEU 46 5.206 1.923 4.875 362 2HD1 LEU 46 HD12 LEU 46 4.763 0.866 3.514 363 3HD1 LEU 46 HD13 LEU 46 4.623 2.624 3.352 364 1HD2 LEU 46 HD21 LEU 46 2.379 2.255 2.590 365 2HD2 LEU 46 HD22 LEU 46 2.319 0.522 2.943 366 3HD2 LEU 46 HD23 LEU 46 1.111 1.620 3.644 367 H ARG 47 H ARG 47 2.417 -0.880 8.280 368 HA ARG 47 HA ARG 47 1.623 -3.418 7.216 369 1HB ARG 47 HB2 ARG 47 3.510 -3.084 8.714 370 2HB ARG 47 HB3 ARG 47 2.426 -2.637 10.041 371 1HG ARG 47 HG2 ARG 47 1.504 -4.822 10.190 372 2HG ARG 47 HG3 ARG 47 2.118 -5.310 8.603 373 1HD ARG 47 HD2 ARG 47 3.927 -4.573 10.937 374 2HD ARG 47 HD3 ARG 47 3.375 -6.232 10.611 375 HE ARG 47 HE ARG 47 4.435 -5.266 8.198 376 1HH1 ARG 47 HH11 ARG 47 7.735 -6.423 8.625 377 2HH1 ARG 47 HH12 ARG 47 6.527 -5.943 7.479 378 1HH2 ARG 47 HH21 ARG 47 7.203 -6.455 10.944 379 2HH2 ARG 47 HH22 ARG 47 5.610 -5.964 11.437 380 H ALA 48 H ALA 48 0.161 -1.150 9.510 381 HA ALA 48 HA ALA 48 -2.067 -2.724 10.332 382 1HB ALA 48 HB1 ALA 48 -1.590 0.271 10.103 383 2HB ALA 48 HB2 ALA 48 -2.994 -0.458 10.928 384 3HB ALA 48 HB3 ALA 48 -1.340 -0.747 11.525 385 H GLN 49 H GLN 49 -1.758 -0.229 7.718 386 HA GLN 49 HA GLN 49 -4.400 -0.741 6.668 387 1HB GLN 49 HB2 GLN 49 -1.985 0.942 6.014 388 2HB GLN 49 HB3 GLN 49 -3.110 0.612 4.715 389 1HG GLN 49 HG2 GLN 49 -3.638 2.694 5.940 390 2HG GLN 49 HG3 GLN 49 -4.965 1.527 5.889 391 1HE2 GLN 49 HE21 GLN 49 -2.122 1.992 8.139 392 2HE2 GLN 49 HE22 GLN 49 -3.150 2.079 9.561 393 H ALA 50 H ALA 50 -1.384 -2.381 6.257 394 HA ALA 50 HA ALA 50 -1.500 -3.316 3.705 395 1HB ALA 50 HB1 ALA 50 -0.797 -5.125 6.035 396 2HB ALA 50 HB2 ALA 50 -0.156 -5.138 4.375 397 3HB ALA 50 HB3 ALA 50 0.248 -3.811 5.461 398 H GLY 51 H GLY 51 -2.686 -4.753 2.532 399 1HA GLY 51 HA1 GLY 51 -3.817 -6.844 2.381 400 2HA GLY 51 HA2 GLY 51 -4.731 -6.509 3.862 401 H GLY 52 H GLY 52 -5.155 -3.573 2.802 402 1HA GLY 52 HA1 GLY 52 -6.247 -3.257 0.388 403 2HA GLY 52 HA2 GLY 52 -7.494 -4.277 1.141 404 H ASP 53 H ASP 53 -8.643 -2.236 0.539 405 HA ASP 53 HA ASP 53 -9.374 -0.110 0.883 406 1HB ASP 53 HB2 ASP 53 -10.921 -1.753 1.929 407 2HB ASP 53 HB3 ASP 53 -10.120 -1.481 3.488 408 H ALA 54 H ALA 54 -6.943 0.578 1.065 409 HA ALA 54 HA ALA 54 -6.658 2.146 3.618 410 1HB ALA 54 HB1 ALA 54 -4.285 2.192 3.160 411 2HB ALA 54 HB2 ALA 54 -4.866 0.503 3.318 412 3HB ALA 54 HB3 ALA 54 -4.504 1.174 1.713 413 H THR 55 H THR 55 -7.907 2.475 0.648 414 HA THR 55 HA THR 55 -6.463 4.666 -0.494 415 HB THR 55 HB THR 55 -9.428 3.948 -0.695 416 HG1 THR 55 HG1 THR 55 -7.588 2.383 -1.360 417 1HG2 THR 55 HG21 THR 55 -9.234 5.108 -2.904 418 2HG2 THR 55 HG22 THR 55 -8.953 6.220 -1.553 419 3HG2 THR 55 HG23 THR 55 -7.574 5.591 -2.477 420 H ALA 56 H ALA 56 -9.276 4.478 1.725 421 HA ALA 56 HA ALA 56 -9.629 7.257 2.106 422 1HB ALA 56 HB1 ALA 56 -10.157 4.941 4.036 423 2HB ALA 56 HB2 ALA 56 -10.819 6.584 4.176 424 3HB ALA 56 HB3 ALA 56 -11.283 5.556 2.806 425 H ASN 57 H ASN 57 -7.667 4.920 4.058 426 HA ASN 57 HA ASN 57 -6.689 6.834 5.891 427 1HB ASN 57 HB2 ASN 57 -5.391 4.280 4.861 428 2HB ASN 57 HB3 ASN 57 -4.811 5.220 6.243 429 1HD2 ASN 57 HD21 ASN 57 -5.959 5.144 8.250 430 2HD2 ASN 57 HD22 ASN 57 -7.243 3.971 8.479 431 H PHE 58 H PHE 58 -5.165 5.623 2.876 432 HA PHE 58 HA PHE 58 -2.847 7.154 2.826 433 1HB PHE 58 HB2 PHE 58 -3.418 5.355 1.250 434 2HB PHE 58 HB3 PHE 58 -4.653 6.361 0.509 435 HD1 PHE 58 HD1 PHE 58 -1.052 5.719 0.787 436 HD2 PHE 58 HD2 PHE 58 -4.048 8.286 -0.949 437 HE1 PHE 58 HE1 PHE 58 0.606 6.541 -0.880 438 HE2 PHE 58 HE2 PHE 58 -2.419 9.093 -2.590 439 HZ PHE 58 HZ PHE 58 -0.080 8.186 -2.600 440 H GLU 59 H GLU 59 -6.081 8.069 1.511 441 HA GLU 59 HA GLU 59 -5.254 10.713 0.762 442 1HB GLU 59 HB2 GLU 59 -7.972 9.443 1.134 443 2HB GLU 59 HB3 GLU 59 -7.708 11.050 0.434 444 1HG GLU 59 HG2 GLU 59 -6.428 8.528 -0.727 445 2HG GLU 59 HG3 GLU 59 -7.987 9.170 -1.230 446 H ALA 60 H ALA 60 -6.721 9.386 3.716 447 HA ALA 60 HA ALA 60 -7.590 11.809 4.868 448 1HB ALA 60 HB1 ALA 60 -8.212 9.600 5.764 449 2HB ALA 60 HB2 ALA 60 -6.534 9.325 6.289 450 3HB ALA 60 HB3 ALA 60 -7.491 10.626 7.016 451 H VAL 61 H VAL 61 -4.407 10.150 5.104 452 HA VAL 61 HA VAL 61 -3.203 12.477 6.444 453 HB VAL 61 HB VAL 61 -2.193 10.348 6.836 454 1HG1 VAL 61 HG11 VAL 61 -2.634 9.163 4.695 455 2HG1 VAL 61 HG12 VAL 61 -1.427 10.193 3.896 456 3HG1 VAL 61 HG13 VAL 61 -0.949 9.094 5.187 457 1HG2 VAL 61 HG21 VAL 61 0.144 10.928 6.269 458 2HG2 VAL 61 HG22 VAL 61 -0.399 12.181 5.170 459 3HG2 VAL 61 HG23 VAL 61 -0.750 12.325 6.904 460 H GLY 62 H GLY 62 -3.302 11.163 3.094 461 1HA GLY 62 HA1 GLY 62 -3.251 12.373 1.113 462 2HA GLY 62 HA2 GLY 62 -2.821 13.866 1.968 463 H HIS 63 HN HIS 63 -1.413 12.973 -0.313 464 HA HIS 63 HA HIS 63 1.300 12.430 0.717 465 1HB HIS 63 HB2 HIS 63 -0.327 10.663 -1.160 466 2HB HIS 63 HB3 HIS 63 1.432 10.693 -1.200 467 HD1 HIS 63 HND HIS 63 -1.391 9.575 1.251 468 HD2 HIS 63 HD HIS 63 2.763 9.443 0.615 469 HE1 HIS 63 HE HIS 63 -0.463 7.925 2.926 470 H SER 64 H SER 64 2.810 13.489 -0.583 471 HA SER 64 HA SER 64 1.708 15.581 -2.258 472 1HB SER 64 HB2 SER 64 3.630 15.897 -0.706 473 2HB SER 64 HB3 SER 64 4.620 14.853 -1.733 474 HG SER 64 HG SER 64 4.774 17.162 -2.179 475 H THR 65 H THR 65 3.253 16.021 -4.274 476 HA THR 65 HA THR 65 2.255 14.239 -6.327 477 HB THR 65 HB THR 65 3.829 15.617 -7.804 478 HG1 THR 65 HG1 THR 65 4.284 17.198 -5.498 479 1HG2 THR 65 HG21 THR 65 2.605 17.731 -7.558 480 2HG2 THR 65 HG22 THR 65 1.494 16.361 -7.386 481 3HG2 THR 65 HG23 THR 65 2.029 17.254 -5.948 482 H ASP 66 H ASP 66 5.601 14.919 -5.345 483 HA ASP 66 HA ASP 66 7.037 12.881 -6.503 484 1HB ASP 66 HB2 ASP 66 7.855 14.631 -4.844 485 2HB ASP 66 HB3 ASP 66 7.199 13.683 -3.526 486 H ALA 67 H ALA 67 5.397 12.598 -3.400 487 HA ALA 67 HA ALA 67 5.798 9.838 -2.999 488 1HB ALA 67 HB1 ALA 67 3.991 9.945 -1.351 489 2HB ALA 67 HB2 ALA 67 5.081 11.340 -1.223 490 3HB ALA 67 HB3 ALA 67 3.490 11.526 -1.983 491 H ARG 68 H ARG 68 3.061 11.480 -4.611 492 HA ARG 68 HA ARG 68 1.481 9.129 -5.136 493 1HB ARG 68 HB2 ARG 68 1.614 11.881 -6.392 494 2HB ARG 68 HB3 ARG 68 0.436 10.658 -6.893 495 1HG ARG 68 HG2 ARG 68 -0.646 10.640 -4.799 496 2HG ARG 68 HG3 ARG 68 0.688 11.413 -3.969 497 1HD ARG 68 HD2 ARG 68 -1.021 12.999 -4.102 498 2HD ARG 68 HD3 ARG 68 0.200 13.551 -5.219 499 HE ARG 68 HE ARG 68 -2.536 12.532 -5.697 500 1HH1 ARG 68 HH11 ARG 68 -2.619 13.921 -8.927 501 2HH1 ARG 68 HH12 ARG 68 -3.560 13.381 -7.575 502 1HH2 ARG 68 HH21 ARG 68 -0.234 13.893 -8.777 503 2HH2 ARG 68 HH22 ARG 68 0.482 13.269 -7.321 504 H GLU 69 H GLU 69 4.251 10.640 -6.764 505 HA GLU 69 HA GLU 69 3.996 8.975 -9.162 506 1HB GLU 69 HB2 GLU 69 5.925 10.978 -8.084 507 2HB GLU 69 HB3 GLU 69 6.380 10.026 -9.482 508 1HG GLU 69 HG2 GLU 69 3.849 11.733 -9.249 509 2HG GLU 69 HG3 GLU 69 5.336 12.229 -10.060 510 H LEU 70 H LEU 70 6.014 9.057 -6.253 511 HA LEU 70 HA LEU 70 7.604 6.852 -6.623 512 1HB LEU 70 HB2 LEU 70 7.806 8.561 -4.863 513 2HB LEU 70 HB3 LEU 70 6.391 7.874 -4.065 514 HG LEU 70 HG LEU 70 7.465 6.276 -3.023 515 1HD1 LEU 70 HD11 LEU 70 9.254 6.006 -5.413 516 2HD1 LEU 70 HD12 LEU 70 9.459 5.078 -3.901 517 3HD1 LEU 70 HD13 LEU 70 7.933 4.963 -4.799 518 1HD2 LEU 70 HD21 LEU 70 9.721 6.929 -2.333 519 2HD2 LEU 70 HD22 LEU 70 9.856 8.023 -3.725 520 3HD2 LEU 70 HD23 LEU 70 8.674 8.359 -2.441 521 H SER 71 H SER 71 4.518 6.921 -4.921 522 HA SER 71 HA SER 71 3.620 4.379 -4.648 523 1HB SER 71 HB2 SER 71 1.968 6.361 -6.217 524 2HB SER 71 HB3 SER 71 1.410 4.989 -5.272 525 HG SER 71 HG SER 71 2.767 7.265 -4.228 526 H LYS 72 H LYS 72 3.761 5.899 -7.957 527 HA LYS 72 HA LYS 72 2.672 3.610 -9.263 528 1HB LYS 72 HB2 LYS 72 4.482 5.728 -10.460 529 2HB LYS 72 HB3 LYS 72 3.456 4.579 -11.319 530 1HG LYS 72 HG2 LYS 72 1.434 5.582 -10.219 531 2HG LYS 72 HG3 LYS 72 2.491 6.797 -9.464 532 1HD LYS 72 HD2 LYS 72 3.293 7.516 -11.672 533 2HD LYS 72 HD3 LYS 72 2.226 6.336 -12.469 534 1HE LYS 72 HE2 LYS 72 0.238 7.502 -11.709 535 2HE LYS 72 HE3 LYS 72 1.187 8.506 -10.592 536 1HZ LYS 72 HZ1 LYS 72 2.210 9.589 -12.320 537 2HZ LYS 72 HZ2 LYS 72 1.521 8.664 -13.512 538 3HZ LYS 72 HZ3 LYS 72 0.612 9.702 -12.590 539 H THR 73 H THR 73 5.926 4.407 -8.207 540 HA THR 73 HA THR 73 7.325 2.477 -9.862 541 HB THR 73 HB THR 73 8.210 4.005 -7.373 542 HG1 THR 73 HG1 THR 73 7.583 5.259 -9.228 543 1HG2 THR 73 HG21 THR 73 9.747 2.209 -7.621 544 2HG2 THR 73 HG22 THR 73 9.831 2.438 -9.389 545 3HG2 THR 73 HG23 THR 73 10.494 3.664 -8.287 546 H PHE 74 H PHE 74 5.233 2.134 -7.179 547 HA PHE 74 HA PHE 74 6.385 -0.548 -6.514 548 1HB PHE 74 HB2 PHE 74 4.776 1.411 -4.830 549 2HB PHE 74 HB3 PHE 74 5.015 -0.280 -4.411 550 HD1 PHE 74 HD1 PHE 74 7.452 -1.183 -4.345 551 HD2 PHE 74 HD2 PHE 74 6.368 2.974 -3.923 552 HE1 PHE 74 HE1 PHE 74 9.570 -0.752 -3.136 553 HE2 PHE 74 HE2 PHE 74 8.422 3.354 -2.567 554 HZ PHE 74 HZ PHE 74 10.066 1.523 -2.274 555 H ILE 75 H ILE 75 4.174 0.860 -8.523 556 HA ILE 75 HA ILE 75 1.789 -0.550 -7.754 557 HB ILE 75 HB ILE 75 2.252 1.475 -9.389 558 1HG1 ILE 75 HG12 ILE 75 0.046 0.925 -8.662 559 2HG1 ILE 75 HG13 ILE 75 0.080 1.298 -10.386 560 1HG2 ILE 75 HG21 ILE 75 2.107 -0.808 -11.387 561 2HG2 ILE 75 HG22 ILE 75 2.061 0.929 -11.753 562 3HG2 ILE 75 HG23 ILE 75 3.525 0.199 -11.074 563 1HD1 ILE 75 HD11 ILE 75 0.028 -1.186 -10.838 564 2HD1 ILE 75 HD12 ILE 75 -0.110 -1.383 -9.071 565 3HD1 ILE 75 HD13 ILE 75 -1.388 -0.558 -9.974 566 H ILE 76 H ILE 76 1.245 -2.686 -8.102 567 HA ILE 76 HA ILE 76 3.067 -4.360 -9.833 568 HB ILE 76 HB ILE 76 2.326 -6.220 -8.325 569 1HG1 ILE 76 HG12 ILE 76 1.509 -4.034 -6.359 570 2HG1 ILE 76 HG13 ILE 76 0.333 -4.802 -7.407 571 1HG2 ILE 76 HG21 ILE 76 4.539 -5.028 -8.212 572 2HG2 ILE 76 HG22 ILE 76 3.873 -3.992 -6.938 573 3HG2 ILE 76 HG23 ILE 76 4.027 -5.747 -6.691 574 1HD1 ILE 76 HD11 ILE 76 2.127 -6.621 -5.855 575 2HD1 ILE 76 HD12 ILE 76 0.878 -5.716 -4.986 576 3HD1 ILE 76 HD13 ILE 76 0.427 -6.798 -6.326 577 H GLY 77 H GLY 77 -0.178 -3.244 -9.466 578 1HA GLY 77 HA1 GLY 77 -1.264 -3.987 -11.803 579 2HA GLY 77 HA2 GLY 77 -1.475 -5.457 -10.820 580 H GLU 78 H GLU 78 -3.725 -4.769 -11.171 581 HA GLU 78 HA GLU 78 -4.627 -2.575 -9.414 582 1HB GLU 78 HB2 GLU 78 -5.342 -3.309 -12.251 583 2HB GLU 78 HB3 GLU 78 -6.567 -2.627 -11.193 584 1HG GLU 78 HG2 GLU 78 -5.809 -0.698 -12.108 585 2HG GLU 78 HG3 GLU 78 -4.771 -0.775 -10.687 586 H LEU 79 H LEU 79 -6.881 -2.713 -8.825 587 HA LEU 79 HA LEU 79 -7.397 -5.113 -7.363 588 1HB LEU 79 HB2 LEU 79 -8.108 -2.862 -6.644 589 2HB LEU 79 HB3 LEU 79 -9.074 -2.707 -8.121 590 HG LEU 79 HG LEU 79 -10.475 -4.681 -7.331 591 1HD1 LEU 79 HD11 LEU 79 -8.859 -4.203 -4.802 592 2HD1 LEU 79 HD12 LEU 79 -10.357 -5.149 -4.857 593 3HD1 LEU 79 HD13 LEU 79 -8.920 -5.717 -5.723 594 1HD2 LEU 79 HD21 LEU 79 -11.864 -3.325 -6.116 595 2HD2 LEU 79 HD22 LEU 79 -10.528 -2.433 -5.346 596 3HD2 LEU 79 HD23 LEU 79 -10.927 -2.184 -7.065 597 H HIS 80 H HIS 80 -8.611 -6.855 -7.919 598 HA HIS 80 HA HIS 80 -9.373 -7.449 -10.564 599 1HB HIS 80 HB2 HIS 80 -9.082 -8.962 -8.483 600 2HB HIS 80 HB3 HIS 80 -10.790 -8.672 -8.193 601 HD1 HIS 80 HD1 HIS 80 -12.404 -10.044 -9.889 602 HD2 HIS 80 HD2 HIS 80 -8.275 -10.374 -10.594 603 HE1 HIS 80 HE1 HIS 80 -12.129 -11.854 -11.613 604 HA PRO 81 HA PRO 81 -13.025 -4.970 -10.989 605 1HB PRO 81 HB2 PRO 81 -14.161 -6.086 -13.217 606 2HB PRO 81 HB3 PRO 81 -12.700 -5.056 -13.246 607 1HG PRO 81 HG2 PRO 81 -12.806 -8.091 -13.192 608 2HG PRO 81 HG3 PRO 81 -11.875 -7.057 -14.320 609 1HD PRO 81 HD2 PRO 81 -10.739 -8.151 -12.157 610 2HD PRO 81 HD3 PRO 81 -10.330 -6.469 -12.610 611 H ASP 82 H ASP 82 -12.997 -8.270 -10.071 612 HA ASP 82 HA ASP 82 -15.866 -8.729 -9.918 613 1HB ASP 82 HB2 ASP 82 -14.248 -10.586 -9.938 614 2HB ASP 82 HB3 ASP 82 -13.559 -9.999 -8.379 615 H ASP 83 H ASP 83 -13.372 -7.251 -7.892 616 HA ASP 83 HA ASP 83 -14.964 -7.101 -5.475 617 1HB ASP 83 HB2 ASP 83 -12.506 -7.152 -5.466 618 2HB ASP 83 HB3 ASP 83 -12.478 -5.596 -6.320 619 H ARG 84 H ARG 84 -14.572 -5.079 -8.302 620 HA ARG 84 HA ARG 84 -15.279 -2.568 -7.169 621 1HB ARG 84 HB2 ARG 84 -14.485 -3.565 -9.746 622 2HB ARG 84 HB3 ARG 84 -16.035 -2.774 -9.977 623 1HG ARG 84 HG2 ARG 84 -14.493 -1.086 -10.351 624 2HG ARG 84 HG3 ARG 84 -15.105 -0.773 -8.727 625 1HD ARG 84 HD2 ARG 84 -12.670 -0.513 -8.699 626 2HD ARG 84 HD3 ARG 84 -13.136 -1.912 -7.746 627 HE ARG 84 HE ARG 84 -11.989 -3.306 -9.170 628 1HH1 ARG 84 HH11 ARG 84 -10.232 -2.566 -12.153 629 2HH1 ARG 84 HH12 ARG 84 -10.271 -3.614 -10.778 630 1HH2 ARG 84 HH21 ARG 84 -11.506 -0.565 -12.153 631 2HH2 ARG 84 HH22 ARG 84 -12.622 -0.298 -10.845 632 HHA HEM 201 HGM HEM 201 4.462 10.995 4.917 633 HHB HEM 201 HDM HEM 201 5.757 7.591 -0.401 634 HHC HEM 201 HAM HEM 201 0.831 3.672 0.937 635 HHD HEM 201 HBM HEM 201 -0.137 6.776 6.539 636 1HMA HEM 201 HM81 HEM 201 7.932 9.412 0.692 637 2HMA HEM 201 HM82 HEM 201 6.710 9.647 -0.573 638 3HMA HEM 201 HM83 HEM 201 7.231 11.014 0.393 639 1HAA HEM 201 HAA1 HEM 201 6.330 11.884 3.848 640 2HAA HEM 201 HAA2 HEM 201 6.809 12.158 2.190 641 1HBA HEM 201 HBA1 HEM 201 4.919 13.618 3.411 642 2HBA HEM 201 HBA2 HEM 201 3.861 12.344 2.804 643 1HMB HEM 201 HM11 HEM 201 4.869 6.330 -2.517 644 2HMB HEM 201 HM12 HEM 201 5.952 5.250 -1.609 645 3HMB HEM 201 HM13 HEM 201 4.627 4.579 -2.556 646 HAB HEM 201 HT2A HEM 201 2.604 2.598 -1.118 647 1HBB HEM 201 HV2C HEM 201 1.283 4.871 -2.597 648 2HBB HEM 201 HV2T HEM 201 1.566 3.105 -3.152 649 1HMC HEM 201 HM31 HEM 201 -1.286 2.406 3.622 650 2HMC HEM 201 HM32 HEM 201 -2.286 3.560 2.724 651 3HMC HEM 201 HM33 HEM 201 -0.922 2.757 1.921 652 HAC HEM 201 HT4A HEM 201 -2.591 5.448 5.334 653 1HBC HEM 201 HV4C HEM 201 -0.643 3.583 6.765 654 2HBC HEM 201 HV4T HEM 201 -2.119 4.467 7.502 655 1HMD HEM 201 HM51 HEM 201 1.631 9.086 9.035 656 2HMD HEM 201 HM52 HEM 201 0.040 9.131 8.236 657 3HMD HEM 201 HM53 HEM 201 0.885 7.588 8.495 658 1HAD HEM 201 HAD1 HEM 201 3.939 10.405 8.092 659 2HAD HEM 201 HAD2 HEM 201 3.699 11.579 6.828 660 1HBD HEM 201 HBD1 HEM 201 1.166 11.265 8.174 661 2HBD HEM 201 HBD2 HEM 201 2.443 11.444 9.373 Start of MODEL 35 1 1H ALA 3 H1 ALA 3 3.866 -4.171 -17.594 2 2H ALA 3 H2 ALA 3 5.300 -4.950 -17.424 3 3H ALA 3 H3 ALA 3 4.617 -4.822 -18.937 4 HA ALA 3 HA ALA 3 3.242 -6.531 -18.613 5 1HB ALA 3 HB1 ALA 3 5.339 -7.481 -17.618 6 2HB ALA 3 HB2 ALA 3 4.850 -6.860 -16.027 7 3HB ALA 3 HB3 ALA 3 3.887 -8.119 -16.825 8 H VAL 4 H VAL 4 1.456 -7.467 -16.993 9 HA VAL 4 HA VAL 4 0.736 -5.698 -14.837 10 HB VAL 4 HB VAL 4 -0.139 -4.482 -16.821 11 1HG1 VAL 4 HG11 VAL 4 -1.287 -5.398 -18.489 12 2HG1 VAL 4 HG12 VAL 4 -0.965 -6.998 -17.810 13 3HG1 VAL 4 HG13 VAL 4 -2.457 -6.140 -17.391 14 1HG2 VAL 4 HG21 VAL 4 -1.212 -4.277 -14.603 15 2HG2 VAL 4 HG22 VAL 4 -2.288 -3.962 -15.971 16 3HG2 VAL 4 HG23 VAL 4 -2.414 -5.492 -15.094 17 H LYS 5 H LYS 5 -1.122 -6.595 -13.646 18 HA LYS 5 HA LYS 5 -2.388 -8.996 -14.323 19 1HB LYS 5 HB2 LYS 5 0.241 -9.384 -13.191 20 2HB LYS 5 HB3 LYS 5 -0.903 -9.761 -11.910 21 1HG LYS 5 HG2 LYS 5 -1.968 -11.451 -13.124 22 2HG LYS 5 HG3 LYS 5 -1.372 -10.899 -14.685 23 1HD LYS 5 HD2 LYS 5 0.840 -11.593 -12.824 24 2HD LYS 5 HD3 LYS 5 -0.268 -12.931 -13.104 25 1HE LYS 5 HE2 LYS 5 1.517 -12.987 -14.779 26 2HE LYS 5 HE3 LYS 5 -0.052 -12.706 -15.541 27 1HZ LYS 5 HZ1 LYS 5 2.024 -10.685 -15.001 28 2HZ LYS 5 HZ2 LYS 5 1.553 -11.253 -16.470 29 3HZ LYS 5 HZ3 LYS 5 0.547 -10.292 -15.590 30 H TYR 6 H TYR 6 -4.295 -8.888 -13.226 31 HA TYR 6 HA TYR 6 -4.553 -6.740 -11.274 32 1HB TYR 6 HB2 TYR 6 -6.747 -8.595 -12.179 33 2HB TYR 6 HB3 TYR 6 -6.835 -6.949 -11.534 34 HD1 TYR 6 HD1 TYR 6 -6.154 -9.010 -14.523 35 HD2 TYR 6 HD2 TYR 6 -6.426 -4.995 -12.969 36 HE1 TYR 6 HE1 TYR 6 -6.032 -8.107 -16.829 37 HE2 TYR 6 HE2 TYR 6 -6.327 -4.099 -15.275 38 HH TYR 6 HH TYR 6 -6.330 -4.621 -17.526 39 H TYR 7 H TYR 7 -5.417 -7.121 -9.086 40 HA TYR 7 HA TYR 7 -5.147 -9.952 -8.137 41 1HB TYR 7 HB2 TYR 7 -4.279 -7.504 -6.611 42 2HB TYR 7 HB3 TYR 7 -4.055 -9.192 -6.170 43 HD1 TYR 7 HD1 TYR 7 -2.561 -10.631 -7.810 44 HD2 TYR 7 HD2 TYR 7 -2.613 -6.326 -7.750 45 HE1 TYR 7 HE1 TYR 7 -0.399 -10.576 -9.037 46 HE2 TYR 7 HE2 TYR 7 -0.473 -6.275 -8.937 47 HH TYR 7 HH TYR 7 1.046 -7.497 -10.163 48 H THR 8 H THR 8 -6.676 -10.632 -6.708 49 HA THR 8 HA THR 8 -9.175 -9.133 -6.622 50 HB THR 8 HB THR 8 -10.119 -11.087 -5.714 51 HG1 THR 8 HG1 THR 8 -8.119 -12.754 -5.197 52 1HG2 THR 8 HG21 THR 8 -9.289 -11.338 -8.087 53 2HG2 THR 8 HG22 THR 8 -7.881 -12.219 -7.455 54 3HG2 THR 8 HG23 THR 8 -9.510 -12.863 -7.209 55 H LEU 9 H LEU 9 -10.262 -8.455 -4.612 56 HA LEU 9 HA LEU 9 -8.722 -7.230 -2.691 57 1HB LEU 9 HB2 LEU 9 -11.493 -7.702 -3.134 58 2HB LEU 9 HB3 LEU 9 -11.216 -8.384 -1.630 59 HG LEU 9 HG LEU 9 -10.284 -5.564 -2.289 60 1HD1 LEU 9 HD11 LEU 9 -12.851 -6.422 -0.890 61 2HD1 LEU 9 HD12 LEU 9 -12.254 -4.752 -1.051 62 3HD1 LEU 9 HD13 LEU 9 -12.729 -5.667 -2.490 63 1HD2 LEU 9 HD21 LEU 9 -10.894 -6.426 0.521 64 2HD2 LEU 9 HD22 LEU 9 -9.367 -6.965 -0.189 65 3HD2 LEU 9 HD23 LEU 9 -9.727 -5.241 -0.095 66 H GLU 10 H GLU 10 -9.929 -10.592 -2.752 67 HA GLU 10 HA GLU 10 -9.109 -11.346 -0.165 68 1HB GLU 10 HB2 GLU 10 -10.648 -12.577 -1.764 69 2HB GLU 10 HB3 GLU 10 -9.212 -13.162 -2.593 70 1HG GLU 10 HG2 GLU 10 -9.874 -14.859 -1.011 71 2HG GLU 10 HG3 GLU 10 -8.374 -14.136 -0.436 72 H GLU 11 H GLU 11 -7.480 -11.967 -3.316 73 HA GLU 11 HA GLU 11 -5.126 -13.072 -2.282 74 1HB GLU 11 HB2 GLU 11 -5.930 -11.755 -4.846 75 2HB GLU 11 HB3 GLU 11 -4.222 -11.665 -4.477 76 1HG GLU 11 HG2 GLU 11 -4.665 -13.674 -5.788 77 2HG GLU 11 HG3 GLU 11 -4.094 -14.106 -4.172 78 H ILE 12 H ILE 12 -5.885 -9.608 -2.907 79 HA ILE 12 HA ILE 12 -3.342 -8.667 -2.050 80 HB ILE 12 HB ILE 12 -6.072 -7.306 -2.051 81 1HG1 ILE 12 HG12 ILE 12 -3.813 -6.880 -4.038 82 2HG1 ILE 12 HG13 ILE 12 -4.963 -8.186 -4.272 83 1HG2 ILE 12 HG21 ILE 12 -4.532 -5.198 -2.170 84 2HG2 ILE 12 HG22 ILE 12 -4.755 -5.973 -0.597 85 3HG2 ILE 12 HG23 ILE 12 -3.274 -6.256 -1.540 86 1HD1 ILE 12 HD11 ILE 12 -5.779 -6.303 -5.526 87 2HD1 ILE 12 HD12 ILE 12 -6.853 -6.544 -4.157 88 3HD1 ILE 12 HD13 ILE 12 -5.635 -5.247 -4.134 89 H GLN 13 H GLN 13 -6.409 -9.162 -0.232 90 HA GLN 13 HA GLN 13 -5.610 -8.350 2.321 91 1HB GLN 13 HB2 GLN 13 -7.674 -10.186 1.195 92 2HB GLN 13 HB3 GLN 13 -7.301 -10.364 2.878 93 1HG GLN 13 HG2 GLN 13 -7.711 -7.528 1.991 94 2HG GLN 13 HG3 GLN 13 -9.100 -8.592 1.793 95 1HE2 GLN 13 HE21 GLN 13 -10.262 -7.355 3.395 96 2HE2 GLN 13 HE22 GLN 13 -9.928 -7.634 5.097 97 H LYS 14 H LYS 14 -5.110 -11.551 0.734 98 HA LYS 14 HA LYS 14 -4.023 -12.830 3.011 99 1HB LYS 14 HB2 LYS 14 -3.379 -13.222 0.063 100 2HB LYS 14 HB3 LYS 14 -2.769 -14.228 1.364 101 1HG LYS 14 HG2 LYS 14 -5.604 -14.141 1.746 102 2HG LYS 14 HG3 LYS 14 -5.352 -14.289 0.007 103 1HD LYS 14 HD2 LYS 14 -3.603 -16.153 0.646 104 2HD LYS 14 HD3 LYS 14 -4.401 -16.120 2.234 105 1HE LYS 14 HE2 LYS 14 -6.611 -16.528 0.892 106 2HE LYS 14 HE3 LYS 14 -5.564 -16.801 -0.511 107 1HZ LYS 14 HZ1 LYS 14 -5.980 -18.874 0.412 108 2HZ LYS 14 HZ2 LYS 14 -4.451 -18.527 0.906 109 3HZ LYS 14 HZ3 LYS 14 -5.711 -18.382 1.958 110 H HIS 15 H HIS 15 -2.619 -10.245 1.145 111 HA HIS 15 HA HIS 15 0.154 -10.866 2.099 112 1HB HIS 15 HB2 HIS 15 -0.942 -9.079 -0.064 113 2HB HIS 15 HB3 HIS 15 0.714 -8.936 0.549 114 HD1 HIS 15 HD1 HIS 15 2.306 -10.094 -1.090 115 HD2 HIS 15 HD2 HIS 15 -1.438 -11.969 -0.739 116 HE1 HIS 15 HE1 HIS 15 2.376 -12.151 -2.590 117 H ASN 16 H ASN 16 -0.901 -10.423 4.259 118 HA ASN 16 HA ASN 16 -0.300 -7.624 5.071 119 1HB ASN 16 HB2 ASN 16 -2.263 -7.646 6.593 120 2HB ASN 16 HB3 ASN 16 -2.682 -7.675 4.890 121 1HD2 ASN 16 HD21 ASN 16 -4.815 -8.372 5.864 122 2HD2 ASN 16 HD22 ASN 16 -5.007 -10.103 5.831 123 H ASN 17 H ASN 17 1.669 -9.275 5.374 124 HA ASN 17 HA ASN 17 1.620 -9.884 8.275 125 1HB ASN 17 HB2 ASN 17 1.139 -11.974 6.612 126 2HB ASN 17 HB3 ASN 17 2.906 -12.007 6.621 127 1HD2 ASN 17 HD21 ASN 17 0.278 -13.341 8.116 128 2HD2 ASN 17 HD22 ASN 17 0.945 -13.598 9.717 129 H SER 18 H SER 18 3.942 -10.664 8.926 130 HA SER 18 HA SER 18 5.604 -8.357 8.365 131 1HB SER 18 HB2 SER 18 5.180 -9.901 10.575 132 2HB SER 18 HB3 SER 18 6.685 -10.623 10.024 133 HG SER 18 HG SER 18 7.620 -8.568 10.147 134 H LYS 19 H LYS 19 5.556 -9.088 6.018 135 HA LYS 19 HA LYS 19 8.014 -10.100 5.041 136 1HB LYS 19 HB2 LYS 19 7.257 -12.274 5.858 137 2HB LYS 19 HB3 LYS 19 5.711 -12.111 5.034 138 1HG LYS 19 HG2 LYS 19 6.587 -12.498 2.940 139 2HG LYS 19 HG3 LYS 19 8.198 -11.893 3.336 140 1HD LYS 19 HD2 LYS 19 7.158 -14.391 4.688 141 2HD LYS 19 HD3 LYS 19 7.784 -14.508 3.045 142 1HE LYS 19 HE2 LYS 19 9.414 -13.083 5.192 143 2HE LYS 19 HE3 LYS 19 9.416 -14.848 5.120 144 1HZ LYS 19 HZ1 LYS 19 10.125 -13.132 2.832 145 2HZ LYS 19 HZ2 LYS 19 11.212 -13.811 3.862 146 3HZ LYS 19 HZ3 LYS 19 10.261 -14.770 2.929 147 H SER 20 H SER 20 4.484 -9.649 4.473 148 HA SER 20 HA SER 20 5.165 -8.344 1.920 149 1HB SER 20 HB2 SER 20 3.127 -10.580 2.128 150 2HB SER 20 HB3 SER 20 3.486 -9.541 0.735 151 HG SER 20 HG SER 20 5.809 -10.379 1.377 152 H THR 21 H THR 21 4.133 -6.556 1.708 153 HA THR 21 HA THR 21 1.684 -5.883 3.259 154 HB THR 21 HB THR 21 4.251 -4.315 2.840 155 HG1 THR 21 HG1 THR 21 2.861 -5.296 5.085 156 1HG2 THR 21 HG21 THR 21 2.504 -2.824 4.506 157 2HG2 THR 21 HG22 THR 21 3.165 -2.389 2.921 158 3HG2 THR 21 HG23 THR 21 1.597 -3.185 3.030 159 H TRP 22 H TRP 22 0.415 -6.323 1.467 160 HA TRP 22 HA TRP 22 0.758 -4.512 -0.895 161 1HB TRP 22 HB2 TRP 22 -0.994 -6.943 -0.421 162 2HB TRP 22 HB3 TRP 22 -1.045 -5.906 -1.838 163 HD1 TRP 22 HD1 TRP 22 2.486 -6.592 -0.820 164 HE1 TRP 22 HE1 TRP 22 3.598 -7.979 -2.492 165 HE3 TRP 22 HE3 TRP 22 -1.679 -7.991 -3.415 166 HZ2 TRP 22 HZ2 TRP 22 2.800 -9.618 -4.847 167 HZ3 TRP 22 HZ3 TRP 22 -1.497 -9.534 -5.309 168 HH2 TRP 22 HH2 TRP 22 0.756 -10.271 -6.127 169 H LEU 23 H LEU 23 -1.613 -3.766 -1.539 170 HA LEU 23 HA LEU 23 -3.694 -3.472 0.268 171 1HB LEU 23 HB2 LEU 23 -3.316 -1.005 0.899 172 2HB LEU 23 HB3 LEU 23 -2.526 -2.236 1.836 173 HG LEU 23 HG LEU 23 -0.407 -1.855 0.409 174 1HD1 LEU 23 HD11 LEU 23 -0.411 0.555 -0.536 175 2HD1 LEU 23 HD12 LEU 23 -1.103 -0.742 -1.522 176 3HD1 LEU 23 HD13 LEU 23 -2.161 0.354 -0.615 177 1HD2 LEU 23 HD21 LEU 23 -1.508 0.358 2.131 178 2HD2 LEU 23 HD22 LEU 23 -0.554 -1.051 2.656 179 3HD2 LEU 23 HD23 LEU 23 0.192 0.171 1.604 180 H ILE 24 H ILE 24 -5.127 -1.554 -0.476 181 HA ILE 24 HA ILE 24 -4.714 -1.103 -3.424 182 HB ILE 24 HB ILE 24 -7.276 -1.451 -1.861 183 1HG1 ILE 24 HG12 ILE 24 -6.540 -3.102 -4.261 184 2HG1 ILE 24 HG13 ILE 24 -5.650 -3.427 -2.787 185 1HG2 ILE 24 HG21 ILE 24 -8.357 -1.307 -4.134 186 2HG2 ILE 24 HG22 ILE 24 -7.665 0.226 -3.593 187 3HG2 ILE 24 HG23 ILE 24 -6.797 -0.764 -4.790 188 1HD1 ILE 24 HD11 ILE 24 -8.692 -3.407 -2.911 189 2HD1 ILE 24 HD12 ILE 24 -7.673 -4.855 -2.850 190 3HD1 ILE 24 HD13 ILE 24 -7.699 -3.742 -1.479 191 H LEU 25 H LEU 25 -4.196 0.895 -3.847 192 HA LEU 25 HA LEU 25 -5.435 3.198 -2.369 193 1HB LEU 25 HB2 LEU 25 -2.676 2.641 -3.355 194 2HB LEU 25 HB3 LEU 25 -3.277 4.304 -3.406 195 HG LEU 25 HG LEU 25 -3.030 4.668 -1.262 196 1HD1 LEU 25 HD11 LEU 25 -3.112 2.937 0.499 197 2HD1 LEU 25 HD12 LEU 25 -4.583 3.231 -0.432 198 3HD1 LEU 25 HD13 LEU 25 -3.616 1.793 -0.759 199 1HD2 LEU 25 HD21 LEU 25 -1.037 2.430 -1.754 200 2HD2 LEU 25 HD22 LEU 25 -0.791 4.174 -1.969 201 3HD2 LEU 25 HD23 LEU 25 -1.014 3.495 -0.351 202 H HIS 26 H HIS 26 -7.120 3.549 -3.676 203 HA HIS 26 HA HIS 26 -8.285 4.260 -5.475 204 1HB HIS 26 HB2 HIS 26 -5.664 5.097 -6.752 205 2HB HIS 26 HB3 HIS 26 -7.285 5.703 -7.095 206 HD1 HIS 26 HD1 HIS 26 -8.350 7.369 -5.189 207 HD2 HIS 26 HD2 HIS 26 -4.405 6.041 -4.636 208 HE1 HIS 26 HE1 HIS 26 -7.353 8.840 -3.399 209 H TYR 27 H TYR 27 -7.929 1.602 -5.449 210 HA TYR 27 HA TYR 27 -8.165 -0.250 -6.703 211 1HB TYR 27 HB2 TYR 27 -8.333 1.483 -9.184 212 2HB TYR 27 HB3 TYR 27 -9.072 -0.078 -8.900 213 HD1 TYR 27 HD1 TYR 27 -10.377 0.164 -6.295 214 HD2 TYR 27 HD2 TYR 27 -9.998 3.143 -9.385 215 HE1 TYR 27 HE1 TYR 27 -12.460 1.222 -5.518 216 HE2 TYR 27 HE2 TYR 27 -12.078 4.224 -8.581 217 HH TYR 27 HH TYR 27 -14.156 3.615 -7.341 218 H LYS 28 H LYS 28 -5.399 1.219 -6.488 219 HA LYS 28 HA LYS 28 -4.002 -0.396 -8.576 220 1HB LYS 28 HB2 LYS 28 -3.049 2.136 -7.248 221 2HB LYS 28 HB3 LYS 28 -2.290 1.240 -8.564 222 1HG LYS 28 HG2 LYS 28 -4.938 1.855 -9.470 223 2HG LYS 28 HG3 LYS 28 -4.397 3.286 -8.579 224 1HD LYS 28 HD2 LYS 28 -2.224 3.077 -10.011 225 2HD LYS 28 HD3 LYS 28 -3.144 1.867 -10.942 226 1HE LYS 28 HE2 LYS 28 -4.876 4.110 -10.765 227 2HE LYS 28 HE3 LYS 28 -3.272 4.797 -11.026 228 1HZ LYS 28 HZ1 LYS 28 -4.274 4.320 -13.131 229 2HZ LYS 28 HZ2 LYS 28 -3.090 3.192 -12.917 230 3HZ LYS 28 HZ3 LYS 28 -4.596 2.730 -12.727 231 H VAL 29 H VAL 29 -2.839 -2.013 -7.745 232 HA VAL 29 HA VAL 29 -2.455 -2.179 -4.857 233 HB VAL 29 HB VAL 29 -1.693 -4.261 -6.908 234 1HG1 VAL 29 HG11 VAL 29 -0.925 -4.503 -4.479 235 2HG1 VAL 29 HG12 VAL 29 -2.634 -4.525 -4.014 236 3HG1 VAL 29 HG13 VAL 29 -1.976 -5.802 -5.055 237 1HG2 VAL 29 HG21 VAL 29 -3.978 -3.827 -7.417 238 2HG2 VAL 29 HG22 VAL 29 -3.969 -5.236 -6.357 239 3HG2 VAL 29 HG23 VAL 29 -4.409 -3.651 -5.696 240 H TYR 30 H TYR 30 -0.556 -2.110 -3.839 241 HA TYR 30 HA TYR 30 1.959 -1.554 -5.359 242 1HB TYR 30 HB2 TYR 30 0.779 -0.176 -2.913 243 2HB TYR 30 HB3 TYR 30 2.378 0.143 -3.559 244 HD1 TYR 30 HD1 TYR 30 2.407 0.737 -6.157 245 HD2 TYR 30 HD2 TYR 30 -1.076 1.102 -3.696 246 HE1 TYR 30 HE1 TYR 30 1.349 2.243 -7.842 247 HE2 TYR 30 HE2 TYR 30 -1.984 2.837 -5.281 248 HH TYR 30 HH TYR 30 -1.569 4.124 -7.089 249 H ASP 31 H ASP 31 3.236 -3.293 -4.942 250 HA ASP 31 HA ASP 31 3.092 -4.745 -2.348 251 1HB ASP 31 HB2 ASP 31 3.415 -6.120 -4.363 252 2HB ASP 31 HB3 ASP 31 4.807 -5.115 -4.833 253 H LEU 32 H LEU 32 4.043 -3.434 -0.733 254 HA LEU 32 HA LEU 32 6.622 -2.152 -1.470 255 1HB LEU 32 HB2 LEU 32 4.952 -1.448 0.944 256 2HB LEU 32 HB3 LEU 32 6.399 -0.715 0.302 257 HG LEU 32 HG LEU 32 4.778 -0.617 -1.924 258 1HD1 LEU 32 HD11 LEU 32 2.957 -0.071 0.453 259 2HD1 LEU 32 HD12 LEU 32 2.536 -0.120 -1.277 260 3HD1 LEU 32 HD13 LEU 32 2.943 -1.599 -0.420 261 1HD2 LEU 32 HD21 LEU 32 6.148 1.194 -1.011 262 2HD2 LEU 32 HD22 LEU 32 4.527 1.750 -1.428 263 3HD2 LEU 32 HD23 LEU 32 4.954 1.463 0.282 264 H THR 33 H THR 33 5.694 -3.081 1.771 265 HA THR 33 HA THR 33 6.607 -4.315 3.313 266 HB THR 33 HB THR 33 6.123 -6.062 1.294 267 HG1 THR 33 HG1 THR 33 5.682 -6.129 3.601 268 1HG2 THR 33 HG21 THR 33 8.496 -6.324 0.622 269 2HG2 THR 33 HG22 THR 33 8.894 -6.810 2.294 270 3HG2 THR 33 HG23 THR 33 7.804 -7.783 1.296 271 H LYS 34 H LYS 34 9.060 -4.257 0.689 272 HA LYS 34 HA LYS 34 11.241 -4.204 2.613 273 1HB LYS 34 HB2 LYS 34 11.215 -5.202 0.233 274 2HB LYS 34 HB3 LYS 34 11.389 -3.537 -0.352 275 1HG LYS 34 HG2 LYS 34 13.483 -3.301 0.937 276 2HG LYS 34 HG3 LYS 34 13.237 -4.902 1.662 277 1HD LYS 34 HD2 LYS 34 13.475 -6.026 -0.441 278 2HD LYS 34 HD3 LYS 34 13.497 -4.514 -1.352 279 1HE LYS 34 HE2 LYS 34 15.548 -4.854 0.850 280 2HE LYS 34 HE3 LYS 34 15.762 -5.851 -0.592 281 1HZ LYS 34 HZ1 LYS 34 15.469 -2.917 -0.664 282 2HZ LYS 34 HZ2 LYS 34 16.907 -3.713 -0.691 283 3HZ LYS 34 HZ3 LYS 34 15.841 -3.912 -1.925 284 H PHE 35 H PHE 35 8.972 -1.946 1.581 285 HA PHE 35 HA PHE 35 10.762 0.416 1.895 286 1HB PHE 35 HB2 PHE 35 9.046 -0.038 -0.090 287 2HB PHE 35 HB3 PHE 35 7.886 0.456 1.117 288 HD1 PHE 35 HD1 PHE 35 11.280 1.652 -0.055 289 HD2 PHE 35 HD2 PHE 35 7.193 2.711 0.869 290 HE1 PHE 35 HE1 PHE 35 11.738 3.984 -0.691 291 HE2 PHE 35 HE2 PHE 35 7.640 5.032 0.137 292 HZ PHE 35 HZ PHE 35 9.911 5.679 -0.650 293 H LEU 36 H LEU 36 8.945 -1.681 3.889 294 HA LEU 36 HA LEU 36 7.293 0.124 5.289 295 1HB LEU 36 HB2 LEU 36 8.853 -2.329 6.211 296 2HB LEU 36 HB3 LEU 36 7.661 -1.501 7.219 297 HG LEU 36 HG LEU 36 6.965 -2.558 4.468 298 1HD1 LEU 36 HD11 LEU 36 6.849 -3.910 7.219 299 2HD1 LEU 36 HD12 LEU 36 5.948 -4.515 5.816 300 3HD1 LEU 36 HD13 LEU 36 7.718 -4.494 5.793 301 1HD2 LEU 36 HD21 LEU 36 4.681 -2.537 5.346 302 2HD2 LEU 36 HD22 LEU 36 5.260 -1.790 6.852 303 3HD2 LEU 36 HD23 LEU 36 5.424 -0.937 5.291 304 H GLU 37 H GLU 37 10.643 -0.881 6.185 305 HA GLU 37 HA GLU 37 10.904 1.040 8.243 306 1HB GLU 37 HB2 GLU 37 13.311 0.634 8.068 307 2HB GLU 37 HB3 GLU 37 12.376 -0.859 8.133 308 1HG GLU 37 HG2 GLU 37 12.680 -1.203 5.700 309 2HG GLU 37 HG3 GLU 37 13.533 0.347 5.573 310 H GLU 38 H GLU 38 11.483 1.278 4.773 311 HA GLU 38 HA GLU 38 12.768 3.827 4.748 312 1HB GLU 38 HB2 GLU 38 11.107 2.446 2.626 313 2HB GLU 38 HB3 GLU 38 12.168 3.794 2.352 314 1HG GLU 38 HG2 GLU 38 13.984 2.190 3.508 315 2HG GLU 38 HG3 GLU 38 12.910 0.927 2.896 316 H HIS 39 HN HIS 39 9.363 2.831 4.695 317 HA HIS 39 HA HIS 39 8.284 5.219 3.730 318 1HB HIS 39 HB2 HIS 39 7.010 3.166 3.768 319 2HB HIS 39 HB3 HIS 39 7.024 3.148 5.537 320 HD1 HIS 39 HND HIS 39 5.062 4.339 6.698 321 HD2 HIS 39 HD HIS 39 5.610 5.412 2.655 322 HE1 HIS 39 HE HIS 39 3.133 5.801 6.088 323 HA PRO 40 HA PRO 40 9.460 7.618 7.287 324 1HB PRO 40 HB2 PRO 40 8.370 10.068 6.669 325 2HB PRO 40 HB3 PRO 40 9.810 9.376 5.865 326 1HG PRO 40 HG2 PRO 40 6.949 9.274 4.942 327 2HG PRO 40 HG3 PRO 40 8.382 9.743 3.973 328 1HD PRO 40 HD2 PRO 40 7.316 7.263 3.840 329 2HD PRO 40 HD3 PRO 40 9.094 7.477 3.812 330 H GLY 41 H GLY 41 6.106 6.984 6.480 331 1HA GLY 41 HA1 GLY 41 5.030 8.184 8.915 332 2HA GLY 41 HA2 GLY 41 4.182 7.141 7.768 333 H GLY 42 H GLY 42 7.223 6.101 9.239 334 1HA GLY 42 HA1 GLY 42 7.743 4.610 10.861 335 2HA GLY 42 HA2 GLY 42 6.166 4.909 11.596 336 H GLU 43 H GLU 43 8.094 2.534 10.189 337 HA GLU 43 HA GLU 43 6.349 0.896 8.761 338 1HB GLU 43 HB2 GLU 43 7.753 -0.963 9.559 339 2HB GLU 43 HB3 GLU 43 8.612 0.360 8.792 340 1HG GLU 43 HG2 GLU 43 9.828 0.900 10.614 341 2HG GLU 43 HG3 GLU 43 8.493 0.659 11.740 342 H ALA 44 H ALA 44 4.360 0.881 9.508 343 HA ALA 44 HA ALA 44 3.396 -1.030 11.393 344 1HB ALA 44 HB1 ALA 44 4.133 0.347 13.222 345 2HB ALA 44 HB2 ALA 44 3.635 1.843 12.398 346 3HB ALA 44 HB3 ALA 44 2.418 0.706 13.016 347 H VAL 45 H VAL 45 2.667 2.362 10.257 348 HA VAL 45 HA VAL 45 -0.080 1.912 10.018 349 HB VAL 45 HB VAL 45 -0.240 3.926 8.887 350 1HG1 VAL 45 HG11 VAL 45 0.415 3.990 11.296 351 2HG1 VAL 45 HG12 VAL 45 2.111 4.211 10.789 352 3HG1 VAL 45 HG13 VAL 45 0.899 5.427 10.375 353 1HG2 VAL 45 HG21 VAL 45 2.700 3.625 8.283 354 2HG2 VAL 45 HG22 VAL 45 1.324 3.828 7.155 355 3HG2 VAL 45 HG23 VAL 45 1.847 5.182 8.169 356 H LEU 46 H LEU 46 2.415 1.676 7.473 357 HA LEU 46 HA LEU 46 0.767 0.660 5.391 358 1HB LEU 46 HB2 LEU 46 3.685 0.488 6.127 359 2HB LEU 46 HB3 LEU 46 3.082 -0.585 4.871 360 HG LEU 46 HG LEU 46 4.097 1.597 4.123 361 1HD1 LEU 46 HD11 LEU 46 2.960 1.504 2.201 362 2HD1 LEU 46 HD12 LEU 46 2.205 0.061 2.903 363 3HD1 LEU 46 HD13 LEU 46 1.363 1.625 2.958 364 1HD2 LEU 46 HD21 LEU 46 2.979 3.053 5.777 365 2HD2 LEU 46 HD22 LEU 46 2.714 3.573 4.090 366 3HD2 LEU 46 HD23 LEU 46 1.415 2.780 4.984 367 H ARG 47 H ARG 47 2.371 -1.080 8.097 368 HA ARG 47 HA ARG 47 1.667 -3.647 6.985 369 1HB ARG 47 HB2 ARG 47 3.549 -2.741 8.767 370 2HB ARG 47 HB3 ARG 47 2.410 -3.455 9.892 371 1HG ARG 47 HG2 ARG 47 3.335 -5.068 7.478 372 2HG ARG 47 HG3 ARG 47 4.488 -4.733 8.759 373 1HD ARG 47 HD2 ARG 47 3.463 -6.897 9.094 374 2HD ARG 47 HD3 ARG 47 3.099 -5.793 10.441 375 HE ARG 47 HE ARG 47 0.990 -5.496 8.639 376 1HH1 ARG 47 HH11 ARG 47 -1.020 -8.148 9.072 377 2HH1 ARG 47 HH12 ARG 47 -0.963 -6.414 8.823 378 1HH2 ARG 47 HH21 ARG 47 0.702 -8.987 10.647 379 2HH2 ARG 47 HH22 ARG 47 2.232 -8.153 10.587 380 H ALA 48 H ALA 48 0.131 -1.394 9.148 381 HA ALA 48 HA ALA 48 -1.816 -3.227 10.270 382 1HB ALA 48 HB1 ALA 48 -2.801 -1.083 11.117 383 2HB ALA 48 HB2 ALA 48 -1.073 -1.264 11.499 384 3HB ALA 48 HB3 ALA 48 -1.576 -0.190 10.189 385 H GLN 49 H GLN 49 -1.937 -0.525 7.853 386 HA GLN 49 HA GLN 49 -4.600 -1.213 6.978 387 1HB GLN 49 HB2 GLN 49 -2.411 0.729 6.187 388 2HB GLN 49 HB3 GLN 49 -3.717 0.389 5.082 389 1HG GLN 49 HG2 GLN 49 -4.319 2.318 6.318 390 2HG GLN 49 HG3 GLN 49 -5.402 0.981 6.744 391 1HE2 GLN 49 HE21 GLN 49 -5.965 2.427 8.618 392 2HE2 GLN 49 HE22 GLN 49 -4.909 2.350 10.014 393 H ALA 50 H ALA 50 -1.425 -2.442 6.162 394 HA ALA 50 HA ALA 50 -1.663 -3.227 3.608 395 1HB ALA 50 HB1 ALA 50 0.347 -3.830 4.802 396 2HB ALA 50 HB2 ALA 50 -0.559 -4.853 5.936 397 3HB ALA 50 HB3 ALA 50 -0.370 -5.333 4.243 398 H GLY 51 H GLY 51 -2.402 -5.011 2.466 399 1HA GLY 51 HA1 GLY 51 -4.015 -6.384 1.703 400 2HA GLY 51 HA2 GLY 51 -3.888 -7.251 3.233 401 H GLY 52 H GLY 52 -5.040 -4.008 2.163 402 1HA GLY 52 HA1 GLY 52 -7.807 -4.593 2.555 403 2HA GLY 52 HA2 GLY 52 -7.142 -3.623 3.896 404 H ASP 53 H ASP 53 -9.060 -2.542 2.197 405 HA ASP 53 HA ASP 53 -7.889 -0.800 0.211 406 1HB ASP 53 HB2 ASP 53 -10.427 -0.571 1.896 407 2HB ASP 53 HB3 ASP 53 -9.982 0.526 0.581 408 H ALA 54 H ALA 54 -6.426 0.742 0.675 409 HA ALA 54 HA ALA 54 -6.641 2.128 3.342 410 1HB ALA 54 HB1 ALA 54 -4.268 2.324 3.417 411 2HB ALA 54 HB2 ALA 54 -4.707 0.595 3.216 412 3HB ALA 54 HB3 ALA 54 -4.085 1.507 1.844 413 H THR 55 H THR 55 -7.565 2.552 0.363 414 HA THR 55 HA THR 55 -6.214 4.802 -0.637 415 HB THR 55 HB THR 55 -9.204 4.216 -0.902 416 HG1 THR 55 HG1 THR 55 -8.028 2.359 -1.516 417 1HG2 THR 55 HG21 THR 55 -7.118 5.556 -2.665 418 2HG2 THR 55 HG22 THR 55 -8.807 5.261 -3.146 419 3HG2 THR 55 HG23 THR 55 -8.443 6.404 -1.833 420 H ALA 56 H ALA 56 -9.110 4.666 1.468 421 HA ALA 56 HA ALA 56 -9.368 7.435 1.967 422 1HB ALA 56 HB1 ALA 56 -11.192 6.174 2.664 423 2HB ALA 56 HB2 ALA 56 -10.196 4.920 3.436 424 3HB ALA 56 HB3 ALA 56 -10.392 6.505 4.210 425 H ASN 57 H ASN 57 -7.486 4.973 3.815 426 HA ASN 57 HA ASN 57 -6.581 6.778 5.826 427 1HB ASN 57 HB2 ASN 57 -5.373 4.189 4.764 428 2HB ASN 57 HB3 ASN 57 -4.702 5.111 6.110 429 1HD2 ASN 57 HD21 ASN 57 -7.173 2.771 5.255 430 2HD2 ASN 57 HD22 ASN 57 -7.916 2.748 6.834 431 H PHE 58 H PHE 58 -5.039 5.746 2.774 432 HA PHE 58 HA PHE 58 -2.637 7.157 2.894 433 1HB PHE 58 HB2 PHE 58 -3.270 5.444 1.220 434 2HB PHE 58 HB3 PHE 58 -4.445 6.533 0.516 435 HD1 PHE 58 HD1 PHE 58 -0.803 6.575 1.418 436 HD2 PHE 58 HD2 PHE 58 -3.798 7.473 -1.537 437 HE1 PHE 58 HE1 PHE 58 0.977 7.244 -0.183 438 HE2 PHE 58 HE2 PHE 58 -2.024 8.060 -3.154 439 HZ PHE 58 HZ PHE 58 0.378 7.990 -2.463 440 H GLU 59 H GLU 59 -5.762 8.189 1.438 441 HA GLU 59 HA GLU 59 -4.938 10.847 0.819 442 1HB GLU 59 HB2 GLU 59 -7.658 9.601 1.269 443 2HB GLU 59 HB3 GLU 59 -7.409 11.241 0.663 444 1HG GLU 59 HG2 GLU 59 -5.782 9.285 -0.844 445 2HG GLU 59 HG3 GLU 59 -7.491 8.867 -0.853 446 H ALA 60 H ALA 60 -6.513 9.454 3.723 447 HA ALA 60 HA ALA 60 -7.196 11.823 5.039 448 1HB ALA 60 HB1 ALA 60 -7.240 10.542 7.074 449 2HB ALA 60 HB2 ALA 60 -7.804 9.478 5.775 450 3HB ALA 60 HB3 ALA 60 -6.157 9.309 6.418 451 H VAL 61 H VAL 61 -4.094 10.035 5.062 452 HA VAL 61 HA VAL 61 -2.671 11.824 6.781 453 HB VAL 61 HB VAL 61 -1.651 10.179 4.423 454 1HG1 VAL 61 HG11 VAL 61 0.527 10.332 5.574 455 2HG1 VAL 61 HG12 VAL 61 -0.019 11.899 5.022 456 3HG1 VAL 61 HG13 VAL 61 -0.192 11.477 6.737 457 1HG2 VAL 61 HG21 VAL 61 -0.896 8.796 6.595 458 2HG2 VAL 61 HG22 VAL 61 -2.353 9.519 7.272 459 3HG2 VAL 61 HG23 VAL 61 -2.440 8.521 5.805 460 H GLY 62 H GLY 62 -3.197 11.854 3.252 461 1HA GLY 62 HA1 GLY 62 -3.505 14.078 2.226 462 2HA GLY 62 HA2 GLY 62 -2.052 14.630 3.068 463 H HIS 63 HN HIS 63 -0.074 13.273 2.716 464 HA HIS 63 HA HIS 63 1.613 12.753 1.319 465 1HB HIS 63 HB2 HIS 63 -0.528 11.249 -0.254 466 2HB HIS 63 HB3 HIS 63 1.187 11.183 -0.580 467 HD1 HIS 63 HND HIS 63 -1.305 9.998 2.111 468 HD2 HIS 63 HD HIS 63 2.701 9.613 0.869 469 HE1 HIS 63 HE HIS 63 -0.294 8.157 3.509 470 H SER 64 H SER 64 2.252 12.911 -1.237 471 HA SER 64 HA SER 64 0.991 15.294 -2.449 472 1HB SER 64 HB2 SER 64 3.796 15.145 -1.286 473 2HB SER 64 HB3 SER 64 3.498 16.136 -2.718 474 HG SER 64 HG SER 64 1.746 17.118 -1.473 475 H THR 65 H THR 65 2.087 15.775 -4.528 476 HA THR 65 HA THR 65 1.548 13.880 -6.414 477 HB THR 65 HB THR 65 2.920 15.223 -7.952 478 HG1 THR 65 HG1 THR 65 3.668 16.849 -5.754 479 1HG2 THR 65 HG21 THR 65 0.632 16.027 -7.130 480 2HG2 THR 65 HG22 THR 65 1.491 17.107 -6.014 481 3HG2 THR 65 HG23 THR 65 1.714 17.280 -7.760 482 H ASP 66 H ASP 66 4.800 14.661 -5.243 483 HA ASP 66 HA ASP 66 6.336 12.736 -6.376 484 1HB ASP 66 HB2 ASP 66 6.644 14.552 -4.263 485 2HB ASP 66 HB3 ASP 66 6.786 13.018 -3.406 486 H ALA 67 H ALA 67 4.324 12.189 -3.468 487 HA ALA 67 HA ALA 67 5.221 9.434 -3.111 488 1HB ALA 67 HB1 ALA 67 3.492 9.279 -1.463 489 2HB ALA 67 HB2 ALA 67 4.210 10.900 -1.295 490 3HB ALA 67 HB3 ALA 67 2.646 10.691 -2.114 491 H ARG 68 H ARG 68 2.353 11.144 -4.627 492 HA ARG 68 HA ARG 68 0.772 8.934 -5.356 493 1HB ARG 68 HB2 ARG 68 1.230 11.434 -7.031 494 2HB ARG 68 HB3 ARG 68 -0.116 10.345 -7.151 495 1HG ARG 68 HG2 ARG 68 0.350 11.810 -4.531 496 2HG ARG 68 HG3 ARG 68 -0.324 12.657 -5.931 497 1HD ARG 68 HD2 ARG 68 -2.109 10.950 -6.096 498 2HD ARG 68 HD3 ARG 68 -1.466 10.213 -4.598 499 HE ARG 68 HE ARG 68 -1.882 12.928 -4.028 500 1HH1 ARG 68 HH11 ARG 68 -5.122 12.450 -2.715 501 2HH1 ARG 68 HH12 ARG 68 -3.759 13.570 -2.692 502 1HH2 ARG 68 HH21 ARG 68 -5.229 10.708 -3.865 503 2HH2 ARG 68 HH22 ARG 68 -3.998 10.205 -5.032 504 H GLU 69 H GLU 69 3.604 10.386 -6.980 505 HA GLU 69 HA GLU 69 3.461 8.714 -9.364 506 1HB GLU 69 HB2 GLU 69 5.074 10.937 -8.248 507 2HB GLU 69 HB3 GLU 69 5.959 9.878 -9.336 508 1HG GLU 69 HG2 GLU 69 3.225 10.948 -10.139 509 2HG GLU 69 HG3 GLU 69 4.682 11.933 -10.304 510 H LEU 70 H LEU 70 5.397 8.911 -6.404 511 HA LEU 70 HA LEU 70 7.186 6.845 -6.823 512 1HB LEU 70 HB2 LEU 70 7.142 8.505 -4.977 513 2HB LEU 70 HB3 LEU 70 5.806 7.604 -4.270 514 HG LEU 70 HG LEU 70 7.235 6.446 -3.157 515 1HD1 LEU 70 HD11 LEU 70 8.813 4.849 -3.994 516 2HD1 LEU 70 HD12 LEU 70 7.135 4.674 -4.495 517 3HD1 LEU 70 HD13 LEU 70 8.367 5.300 -5.652 518 1HD2 LEU 70 HD21 LEU 70 9.649 6.807 -3.168 519 2HD2 LEU 70 HD22 LEU 70 9.458 7.800 -4.640 520 3HD2 LEU 70 HD23 LEU 70 8.676 8.285 -3.106 521 H SER 71 H SER 71 3.905 6.609 -5.232 522 HA SER 71 HA SER 71 3.871 3.875 -4.967 523 1HB SER 71 HB2 SER 71 1.447 5.486 -5.916 524 2HB SER 71 HB3 SER 71 1.466 4.015 -4.915 525 HG SER 71 HG SER 71 1.201 5.986 -3.703 526 H LYS 72 H LYS 72 3.024 5.728 -8.010 527 HA LYS 72 HA LYS 72 2.365 3.442 -9.542 528 1HB LYS 72 HB2 LYS 72 3.649 6.046 -10.470 529 2HB LYS 72 HB3 LYS 72 3.173 4.746 -11.520 530 1HG LYS 72 HG2 LYS 72 0.815 5.014 -10.201 531 2HG LYS 72 HG3 LYS 72 1.501 6.595 -9.843 532 1HD LYS 72 HD2 LYS 72 0.412 7.116 -11.781 533 2HD LYS 72 HD3 LYS 72 1.971 6.701 -12.469 534 1HE LYS 72 HE2 LYS 72 -0.438 4.806 -12.177 535 2HE LYS 72 HE3 LYS 72 -0.078 5.711 -13.651 536 1HZ LYS 72 HZ1 LYS 72 0.692 3.345 -13.559 537 2HZ LYS 72 HZ2 LYS 72 1.816 4.450 -14.022 538 3HZ LYS 72 HZ3 LYS 72 1.850 3.817 -12.504 539 H THR 73 H THR 73 5.586 4.723 -8.699 540 HA THR 73 HA THR 73 7.080 2.920 -10.399 541 HB THR 73 HB THR 73 7.757 4.728 -8.078 542 HG1 THR 73 HG1 THR 73 7.625 5.481 -10.198 543 1HG2 THR 73 HG21 THR 73 10.106 4.102 -8.223 544 2HG2 THR 73 HG22 THR 73 9.122 2.820 -7.511 545 3HG2 THR 73 HG23 THR 73 9.679 2.677 -9.197 546 H PHE 74 H PHE 74 5.410 2.472 -7.419 547 HA PHE 74 HA PHE 74 6.660 -0.200 -6.911 548 1HB PHE 74 HB2 PHE 74 4.981 1.716 -5.275 549 2HB PHE 74 HB3 PHE 74 4.934 0.007 -4.914 550 HD1 PHE 74 HD1 PHE 74 6.530 -1.003 -3.565 551 HD2 PHE 74 HD2 PHE 74 7.485 2.682 -5.544 552 HE1 PHE 74 HE1 PHE 74 8.616 -0.856 -2.255 553 HE2 PHE 74 HE2 PHE 74 9.571 2.842 -4.233 554 HZ PHE 74 HZ PHE 74 10.114 1.120 -2.514 555 H ILE 75 H ILE 75 4.231 1.013 -8.894 556 HA ILE 75 HA ILE 75 2.028 -0.546 -8.062 557 HB ILE 75 HB ILE 75 2.224 1.354 -9.826 558 1HG1 ILE 75 HG12 ILE 75 0.280 -0.939 -9.811 559 2HG1 ILE 75 HG13 ILE 75 0.209 0.593 -8.923 560 1HG2 ILE 75 HG21 ILE 75 2.161 0.680 -12.127 561 2HG2 ILE 75 HG22 ILE 75 3.612 -0.032 -11.425 562 3HG2 ILE 75 HG23 ILE 75 2.162 -1.043 -11.671 563 1HD1 ILE 75 HD11 ILE 75 -1.303 0.710 -10.729 564 2HD1 ILE 75 HD12 ILE 75 0.059 1.834 -11.017 565 3HD1 ILE 75 HD13 ILE 75 -0.061 0.281 -11.910 566 H ILE 76 H ILE 76 1.529 -2.658 -8.180 567 HA ILE 76 HA ILE 76 3.308 -4.459 -9.812 568 HB ILE 76 HB ILE 76 2.277 -6.243 -8.348 569 1HG1 ILE 76 HG12 ILE 76 1.652 -3.933 -6.455 570 2HG1 ILE 76 HG13 ILE 76 0.432 -4.657 -7.491 571 1HG2 ILE 76 HG21 ILE 76 3.980 -5.959 -6.696 572 2HG2 ILE 76 HG22 ILE 76 4.609 -5.284 -8.188 573 3HG2 ILE 76 HG23 ILE 76 4.018 -4.189 -6.927 574 1HD1 ILE 76 HD11 ILE 76 1.924 -6.697 -5.997 575 2HD1 ILE 76 HD12 ILE 76 1.137 -5.497 -4.949 576 3HD1 ILE 76 HD13 ILE 76 0.183 -6.419 -6.128 577 H GLY 77 H GLY 77 0.230 -2.996 -9.819 578 1HA GLY 77 HA1 GLY 77 -0.712 -3.885 -12.203 579 2HA GLY 77 HA2 GLY 77 -1.187 -5.170 -11.070 580 H GLU 78 H GLU 78 -3.380 -4.741 -11.062 581 HA GLU 78 HA GLU 78 -4.275 -2.257 -9.784 582 1HB GLU 78 HB2 GLU 78 -4.626 -2.904 -12.675 583 2HB GLU 78 HB3 GLU 78 -6.089 -2.416 -11.851 584 1HG GLU 78 HG2 GLU 78 -5.146 -0.341 -11.111 585 2HG GLU 78 HG3 GLU 78 -3.506 -0.820 -11.581 586 H LEU 79 H LEU 79 -6.615 -2.357 -9.431 587 HA LEU 79 HA LEU 79 -7.166 -4.683 -7.836 588 1HB LEU 79 HB2 LEU 79 -7.932 -2.404 -7.300 589 2HB LEU 79 HB3 LEU 79 -8.894 -2.381 -8.790 590 HG LEU 79 HG LEU 79 -10.186 -4.361 -7.872 591 1HD1 LEU 79 HD11 LEU 79 -8.194 -4.044 -5.695 592 2HD1 LEU 79 HD12 LEU 79 -9.844 -4.058 -5.101 593 3HD1 LEU 79 HD13 LEU 79 -9.250 -5.414 -6.077 594 1HD2 LEU 79 HD21 LEU 79 -10.836 -1.877 -7.782 595 2HD2 LEU 79 HD22 LEU 79 -11.708 -3.038 -6.790 596 3HD2 LEU 79 HD23 LEU 79 -10.472 -2.014 -6.039 597 H HIS 80 H HIS 80 -8.347 -6.486 -8.322 598 HA HIS 80 HA HIS 80 -8.820 -7.350 -10.912 599 1HB HIS 80 HB2 HIS 80 -8.731 -8.645 -8.790 600 2HB HIS 80 HB3 HIS 80 -10.424 -8.222 -8.493 601 HD1 HIS 80 HD1 HIS 80 -12.025 -10.026 -9.563 602 HD2 HIS 80 HD2 HIS 80 -8.085 -10.068 -11.022 603 HE1 HIS 80 HE1 HIS 80 -11.845 -12.042 -11.107 604 HA PRO 81 HA PRO 81 -12.428 -5.144 -12.131 605 1HB PRO 81 HB2 PRO 81 -13.261 -6.657 -14.283 606 2HB PRO 81 HB3 PRO 81 -11.916 -5.478 -14.297 607 1HG PRO 81 HG2 PRO 81 -11.772 -8.480 -14.031 608 2HG PRO 81 HG3 PRO 81 -10.696 -7.395 -14.965 609 1HD PRO 81 HD2 PRO 81 -10.086 -8.424 -12.524 610 2HD PRO 81 HD3 PRO 81 -9.471 -6.838 -13.071 611 H ASP 82 H ASP 82 -12.528 -8.122 -10.602 612 HA ASP 82 HA ASP 82 -15.504 -8.274 -10.642 613 1HB ASP 82 HB2 ASP 82 -13.742 -10.282 -11.072 614 2HB ASP 82 HB3 ASP 82 -13.858 -10.375 -9.288 615 H ASP 83 H ASP 83 -13.081 -6.769 -8.862 616 HA ASP 83 HA ASP 83 -14.093 -7.387 -6.173 617 1HB ASP 83 HB2 ASP 83 -11.759 -7.262 -6.468 618 2HB ASP 83 HB3 ASP 83 -11.871 -5.722 -7.361 619 H ARG 84 H ARG 84 -13.740 -4.560 -8.254 620 HA ARG 84 HA ARG 84 -14.648 -2.621 -6.565 621 1HB ARG 84 HB2 ARG 84 -15.077 -1.211 -8.492 622 2HB ARG 84 HB3 ARG 84 -13.546 -2.063 -8.646 623 1HG ARG 84 HG2 ARG 84 -16.042 -3.269 -9.910 624 2HG ARG 84 HG3 ARG 84 -15.352 -1.837 -10.641 625 1HD ARG 84 HD2 ARG 84 -13.936 -4.496 -10.161 626 2HD ARG 84 HD3 ARG 84 -14.550 -3.937 -11.690 627 HE ARG 84 HE ARG 84 -12.052 -3.234 -10.403 628 1HH1 ARG 84 HH11 ARG 84 -11.236 -0.709 -12.749 629 2HH1 ARG 84 HH12 ARG 84 -10.643 -1.706 -11.459 630 1HH2 ARG 84 HH21 ARG 84 -13.513 -0.935 -13.455 631 2HH2 ARG 84 HH22 ARG 84 -14.517 -2.069 -12.602 632 HHA HEM 201 HGM HEM 201 4.716 10.725 5.146 633 HHB HEM 201 HDM HEM 201 5.691 7.586 -0.409 634 HHC HEM 201 HAM HEM 201 0.730 3.792 0.879 635 HHD HEM 201 HBM HEM 201 -0.028 6.578 6.666 636 1HMA HEM 201 HM81 HEM 201 7.796 9.228 0.421 637 2HMA HEM 201 HM82 HEM 201 6.439 9.784 -0.581 638 3HMA HEM 201 HM83 HEM 201 7.274 10.921 0.457 639 1HAA HEM 201 HAA1 HEM 201 6.653 11.637 3.991 640 2HAA HEM 201 HAA2 HEM 201 6.976 11.927 2.300 641 1HBA HEM 201 HBA1 HEM 201 4.662 12.811 3.941 642 2HBA HEM 201 HBA2 HEM 201 4.254 12.256 2.310 643 1HMB HEM 201 HM11 HEM 201 4.663 6.349 -2.588 644 2HMB HEM 201 HM12 HEM 201 5.834 5.318 -1.743 645 3HMB HEM 201 HM13 HEM 201 4.448 4.591 -2.573 646 HAB HEM 201 HT2A HEM 201 1.906 3.887 -2.239 647 1HBB HEM 201 HV2C HEM 201 2.299 2.133 0.158 648 2HBB HEM 201 HV2T HEM 201 1.386 1.782 -1.436 649 1HMC HEM 201 HM31 HEM 201 -0.755 2.552 2.173 650 2HMC HEM 201 HM32 HEM 201 -1.838 2.728 3.565 651 3HMC HEM 201 HM33 HEM 201 -2.053 3.767 2.151 652 HAC HEM 201 HT4A HEM 201 -2.317 5.495 5.815 653 1HBC HEM 201 HV4C HEM 201 -1.024 2.727 6.025 654 2HBC HEM 201 HV4T HEM 201 -2.156 3.553 7.259 655 1HMD HEM 201 HM51 HEM 201 0.827 7.397 8.589 656 2HMD HEM 201 HM52 HEM 201 1.961 8.581 9.226 657 3HMD HEM 201 HM53 HEM 201 0.414 9.121 8.560 658 1HAD HEM 201 HAD1 HEM 201 3.785 9.930 8.594 659 2HAD HEM 201 HAD2 HEM 201 4.306 10.976 7.301 660 1HBD HEM 201 HBD1 HEM 201 2.550 12.399 7.549 661 2HBD HEM 201 HBD2 HEM 201 1.464 11.138 8.138
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