NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
461102 | 2dl8 | 11225 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 2.572 25.002 -0.315 2 HA2 GLY 1 1HA GLY 1 2.446 24.221 -3.053 3 HA3 GLY 1 2HA GLY 1 2.689 25.956 -2.906 4 H SER 2 H SER 2 4.566 24.381 -4.152 5 HA SER 2 HA SER 2 6.721 23.548 -4.029 6 HB2 SER 2 1HB SER 2 6.749 26.132 -4.123 7 HB3 SER 2 2HB SER 2 7.237 26.047 -2.431 8 HG SER 2 HG SER 2 9.168 25.682 -3.139 9 H SER 3 H SER 3 5.231 22.349 -2.018 10 HA SER 3 HA SER 3 6.488 22.596 0.532 11 HB2 SER 3 1HB SER 3 4.126 21.671 -0.058 12 HB3 SER 3 2HB SER 3 4.972 20.150 -0.337 13 HG SER 3 HG SER 3 4.375 21.421 2.016 14 H GLY 4 H GLY 4 6.497 19.921 -1.838 15 HA2 GLY 4 1HA GLY 4 9.274 19.527 -1.800 16 HA3 GLY 4 2HA GLY 4 8.558 18.466 -0.595 17 H SER 5 H SER 5 9.147 16.597 -1.707 18 HA SER 5 HA SER 5 7.875 16.192 -4.326 19 HB2 SER 5 1HB SER 5 10.417 15.813 -3.905 20 HB3 SER 5 2HB SER 5 9.896 14.315 -3.134 21 HG SER 5 HG SER 5 9.216 15.098 -5.777 22 H SER 6 H SER 6 8.549 14.394 -1.321 23 HA SER 6 HA SER 6 6.165 12.758 -1.844 24 HB2 SER 6 1HB SER 6 8.329 11.571 -1.491 25 HB3 SER 6 2HB SER 6 8.400 12.251 0.134 26 HG SER 6 HG SER 6 7.496 10.201 0.234 27 H GLY 7 H GLY 7 4.504 13.989 -1.060 28 HA2 GLY 7 1HA GLY 7 4.662 14.712 1.803 29 HA3 GLY 7 2HA GLY 7 3.769 15.652 0.616 30 H GLU 8 H GLU 8 1.656 15.291 0.473 31 HA GLU 8 HA GLU 8 0.147 13.810 2.141 32 HB2 GLU 8 1HB GLU 8 -0.355 14.469 -0.756 33 HB3 GLU 8 2HB GLU 8 -1.566 13.682 0.247 34 HG2 GLU 8 1HG GLU 8 -0.297 16.268 1.067 35 HG3 GLU 8 2HG GLU 8 -1.683 16.219 -0.021 36 HA PRO 9 HA PRO 9 0.600 9.522 1.329 37 HB2 PRO 9 1HB PRO 9 -1.910 8.610 1.817 38 HB3 PRO 9 2HB PRO 9 -0.819 9.154 3.098 39 HG2 PRO 9 1HG PRO 9 -3.065 10.623 1.772 40 HG3 PRO 9 2HG PRO 9 -2.635 10.552 3.491 41 HD2 PRO 9 1HD PRO 9 -1.981 12.652 1.911 42 HD3 PRO 9 2HD PRO 9 -0.964 12.124 3.266 43 H ILE 10 H ILE 10 -0.039 7.769 -0.073 44 HA ILE 10 HA ILE 10 -1.393 8.713 -2.513 45 HB ILE 10 HB ILE 10 0.617 6.470 -2.331 46 HG12 ILE 10 1HG1 ILE 10 1.139 9.214 -3.462 47 HG13 ILE 10 2HG1 ILE 10 1.471 8.829 -1.776 48 HG21 ILE 10 1HG2 ILE 10 0.727 6.995 -4.841 49 HG22 ILE 10 2HG2 ILE 10 -0.680 6.120 -4.238 50 HG23 ILE 10 3HG2 ILE 10 -0.798 7.844 -4.589 51 HD11 ILE 10 1HD1 ILE 10 3.513 8.514 -2.806 52 HD12 ILE 10 2HD1 ILE 10 2.854 6.879 -2.738 53 HD13 ILE 10 3HD1 ILE 10 2.792 7.793 -4.245 54 H GLU 11 H GLU 11 -3.304 7.833 -2.909 55 HA GLU 11 HA GLU 11 -4.251 5.574 -1.417 56 HB2 GLU 11 1HB GLU 11 -5.415 7.406 -3.476 57 HB3 GLU 11 2HB GLU 11 -6.232 5.890 -3.120 58 HG2 GLU 11 1HG GLU 11 -6.823 6.537 -1.014 59 HG3 GLU 11 2HG GLU 11 -5.457 7.638 -0.848 60 H ALA 12 H ALA 12 -3.650 3.573 -1.905 61 HA ALA 12 HA ALA 12 -3.374 2.841 -4.747 62 HB1 ALA 12 1HB ALA 12 -1.515 1.659 -4.303 63 HB2 ALA 12 2HB ALA 12 -1.429 2.688 -2.872 64 HB3 ALA 12 3HB ALA 12 -2.130 1.073 -2.757 65 H ILE 13 H ILE 13 -4.178 0.825 -5.431 66 HA ILE 13 HA ILE 13 -6.252 -0.287 -3.661 67 HB ILE 13 HB ILE 13 -6.117 -0.317 -6.678 68 HG12 ILE 13 1HG1 ILE 13 -6.695 1.882 -5.869 69 HG13 ILE 13 2HG1 ILE 13 -8.156 1.116 -6.482 70 HG21 ILE 13 1HG2 ILE 13 -7.152 -2.341 -5.858 71 HG22 ILE 13 2HG2 ILE 13 -8.204 -1.407 -4.796 72 HG23 ILE 13 3HG2 ILE 13 -8.384 -1.283 -6.546 73 HD11 ILE 13 1HD1 ILE 13 -7.380 1.739 -3.674 74 HD12 ILE 13 2HD1 ILE 13 -8.889 2.068 -4.526 75 HD13 ILE 13 3HD1 ILE 13 -8.510 0.426 -4.005 76 H ALA 14 H ALA 14 -6.253 -2.411 -3.174 77 HA ALA 14 HA ALA 14 -3.956 -3.955 -3.399 78 HB1 ALA 14 1HB ALA 14 -5.391 -4.605 -1.701 79 HB2 ALA 14 2HB ALA 14 -6.803 -4.614 -2.759 80 HB3 ALA 14 3HB ALA 14 -5.596 -5.892 -2.890 81 H LYS 15 H LYS 15 -3.070 -5.012 -5.039 82 HA LYS 15 HA LYS 15 -4.480 -5.288 -7.539 83 HB2 LYS 15 1HB LYS 15 -1.914 -4.797 -7.025 84 HB3 LYS 15 2HB LYS 15 -1.817 -6.552 -7.101 85 HG2 LYS 15 1HG LYS 15 -2.390 -6.620 -9.338 86 HG3 LYS 15 2HG LYS 15 -3.157 -5.031 -9.295 87 HD2 LYS 15 1HD LYS 15 -1.214 -4.475 -10.355 88 HD3 LYS 15 2HD LYS 15 -0.692 -4.270 -8.681 89 HE2 LYS 15 1HE LYS 15 0.268 -6.506 -8.692 90 HE3 LYS 15 2HE LYS 15 -0.301 -6.759 -10.341 91 HZ1 LYS 15 1HZ LYS 15 1.448 -5.685 -11.156 92 HZ2 LYS 15 2HZ LYS 15 2.128 -5.752 -9.609 93 HZ3 LYS 15 3HZ LYS 15 1.263 -4.382 -10.093 94 H PHE 16 H PHE 16 -3.377 -7.388 -4.947 95 HA PHE 16 HA PHE 16 -5.172 -9.466 -5.845 96 HB2 PHE 16 1HB PHE 16 -2.233 -10.113 -5.566 97 HB3 PHE 16 2HB PHE 16 -3.521 -11.210 -6.051 98 HD1 PHE 16 2HD PHE 16 -4.862 -10.452 -8.186 99 HD2 PHE 16 1HD PHE 16 -0.933 -9.152 -7.194 100 HE1 PHE 16 2HE PHE 16 -4.460 -9.882 -10.545 101 HE2 PHE 16 1HE PHE 16 -0.524 -8.579 -9.552 102 HZ PHE 16 HZ PHE 16 -2.288 -8.945 -11.231 103 H ASP 17 H ASP 17 -5.789 -10.848 -4.213 104 HA ASP 17 HA ASP 17 -5.814 -10.010 -1.620 105 HB2 ASP 17 1HB ASP 17 -6.197 -12.467 -1.028 106 HB3 ASP 17 2HB ASP 17 -7.293 -11.755 -2.210 107 H TYR 18 H TYR 18 -4.216 -9.583 -0.261 108 HA TYR 18 HA TYR 18 -1.916 -11.421 -0.173 109 HB2 TYR 18 1HB TYR 18 -1.342 -9.234 -1.226 110 HB3 TYR 18 2HB TYR 18 -1.805 -8.431 0.270 111 HD1 TYR 18 2HD TYR 18 -0.416 -8.621 2.265 112 HD2 TYR 18 1HD TYR 18 0.718 -10.500 -1.380 113 HE1 TYR 18 2HE TYR 18 1.860 -8.934 3.142 114 HE2 TYR 18 1HE TYR 18 2.997 -10.820 -0.513 115 HH TYR 18 HH TYR 18 4.132 -10.969 1.670 116 H VAL 19 H VAL 19 -1.028 -11.850 1.850 117 HA VAL 19 HA VAL 19 -2.514 -10.811 4.169 118 HB VAL 19 HB VAL 19 -3.313 -13.074 3.703 119 HG11 VAL 19 1HG1 VAL 19 -0.771 -14.375 4.405 120 HG12 VAL 19 2HG1 VAL 19 -2.003 -14.843 3.231 121 HG13 VAL 19 3HG1 VAL 19 -0.812 -13.609 2.817 122 HG21 VAL 19 1HG2 VAL 19 -3.093 -13.948 5.890 123 HG22 VAL 19 2HG2 VAL 19 -1.523 -13.178 6.120 124 HG23 VAL 19 3HG2 VAL 19 -2.985 -12.195 6.055 125 H GLY 20 H GLY 20 -1.127 -9.664 5.345 126 HA2 GLY 20 1HA GLY 20 1.615 -9.622 5.188 127 HA3 GLY 20 2HA GLY 20 0.717 -9.164 6.627 128 H ARG 21 H ARG 21 2.873 -11.390 5.260 129 HA ARG 21 HA ARG 21 2.422 -13.720 6.696 130 HB2 ARG 21 1HB ARG 21 4.952 -12.452 5.668 131 HB3 ARG 21 2HB ARG 21 4.968 -14.000 6.501 132 HG2 ARG 21 1HG ARG 21 3.104 -14.571 4.715 133 HG3 ARG 21 2HG ARG 21 3.929 -13.298 3.815 134 HD2 ARG 21 1HD ARG 21 5.500 -15.498 5.092 135 HD3 ARG 21 2HD ARG 21 4.689 -15.772 3.550 136 HE ARG 21 HE ARG 21 6.092 -13.449 3.203 137 HH11 ARG 21 2HH1 ARG 21 6.882 -16.709 4.135 138 HH12 ARG 21 1HH1 ARG 21 8.480 -16.651 3.468 139 HH21 ARG 21 2HH2 ARG 21 8.194 -13.360 2.321 140 HH22 ARG 21 1HH2 ARG 21 9.225 -14.745 2.437 141 H THR 22 H THR 22 4.142 -10.787 7.646 142 HA THR 22 HA THR 22 4.312 -11.857 10.389 143 HB THR 22 HB THR 22 6.222 -10.342 10.758 144 HG1 THR 22 1HG THR 22 6.352 -9.916 7.967 145 HG21 THR 22 1HG2 THR 22 7.867 -11.581 9.463 146 HG22 THR 22 2HG2 THR 22 6.608 -12.140 8.362 147 HG23 THR 22 3HG2 THR 22 6.608 -12.669 10.044 148 H ALA 23 H ALA 23 4.344 -10.102 12.082 149 HA ALA 23 HA ALA 23 1.980 -8.657 12.060 150 HB1 ALA 23 1HB ALA 23 3.576 -9.285 14.011 151 HB2 ALA 23 2HB ALA 23 4.302 -7.710 13.685 152 HB3 ALA 23 3HB ALA 23 2.597 -7.821 14.122 153 H ARG 24 H ARG 24 5.259 -7.589 11.254 154 HA ARG 24 HA ARG 24 4.842 -4.873 10.988 155 HB2 ARG 24 1HB ARG 24 6.677 -6.805 9.619 156 HB3 ARG 24 2HB ARG 24 6.623 -5.131 9.083 157 HG2 ARG 24 1HG ARG 24 6.936 -4.665 11.663 158 HG3 ARG 24 2HG ARG 24 7.639 -6.283 11.621 159 HD2 ARG 24 1HD ARG 24 8.922 -5.303 9.541 160 HD3 ARG 24 2HD ARG 24 8.569 -3.766 10.329 161 HE ARG 24 HE ARG 24 10.496 -5.704 11.141 162 HH11 ARG 24 2HH1 ARG 24 8.305 -3.267 12.316 163 HH12 ARG 24 1HH1 ARG 24 9.219 -2.953 13.755 164 HH21 ARG 24 2HH2 ARG 24 11.708 -5.301 13.031 165 HH22 ARG 24 1HH2 ARG 24 11.155 -4.110 14.160 166 H GLU 25 H GLU 25 4.525 -7.347 8.440 167 HA GLU 25 HA GLU 25 3.572 -5.577 6.462 168 HB2 GLU 25 1HB GLU 25 3.478 -8.560 6.800 169 HB3 GLU 25 2HB GLU 25 2.653 -7.783 5.456 170 HG2 GLU 25 1HG GLU 25 5.596 -7.655 6.067 171 HG3 GLU 25 2HG GLU 25 4.826 -8.556 4.762 172 H LEU 26 H LEU 26 1.324 -6.163 5.390 173 HA LEU 26 HA LEU 26 -0.731 -6.233 7.494 174 HB2 LEU 26 1HB LEU 26 -0.801 -4.408 5.100 175 HB3 LEU 26 2HB LEU 26 -1.953 -4.463 6.432 176 HG LEU 26 HG LEU 26 0.931 -3.642 6.738 177 HD11 LEU 26 1HD1 LEU 26 -0.847 -1.470 7.096 178 HD12 LEU 26 2HD1 LEU 26 -1.215 -2.214 5.540 179 HD13 LEU 26 3HD1 LEU 26 0.423 -1.662 5.887 180 HD21 LEU 26 1HD2 LEU 26 -1.463 -3.347 8.549 181 HD22 LEU 26 2HD2 LEU 26 0.160 -2.738 8.872 182 HD23 LEU 26 3HD2 LEU 26 -0.126 -4.476 8.773 183 H SER 27 H SER 27 -2.668 -7.207 6.953 184 HA SER 27 HA SER 27 -2.593 -8.807 4.494 185 HB2 SER 27 1HB SER 27 -4.022 -10.368 5.570 186 HB3 SER 27 2HB SER 27 -2.841 -9.896 6.792 187 HG SER 27 HG SER 27 -5.462 -8.837 6.514 188 H PHE 28 H PHE 28 -3.838 -8.251 2.846 189 HA PHE 28 HA PHE 28 -6.413 -6.951 3.364 190 HB2 PHE 28 1HB PHE 28 -5.949 -5.421 1.402 191 HB3 PHE 28 2HB PHE 28 -5.019 -5.086 2.858 192 HD1 PHE 28 1HD PHE 28 -4.833 -6.781 -0.435 193 HD2 PHE 28 2HD PHE 28 -2.694 -5.008 2.789 194 HE1 PHE 28 1HE PHE 28 -2.751 -6.933 -1.737 195 HE2 PHE 28 2HE PHE 28 -0.609 -5.157 1.492 196 HZ PHE 28 HZ PHE 28 -0.635 -6.120 -0.775 197 H LYS 29 H LYS 29 -7.641 -6.755 1.168 198 HA LYS 29 HA LYS 29 -7.200 -9.219 -0.384 199 HB2 LYS 29 1HB LYS 29 -9.863 -8.073 0.477 200 HB3 LYS 29 2HB LYS 29 -9.640 -9.487 -0.545 201 HG2 LYS 29 1HG LYS 29 -8.388 -9.433 2.159 202 HG3 LYS 29 2HG LYS 29 -10.117 -9.752 2.005 203 HD2 LYS 29 1HD LYS 29 -8.068 -11.263 0.408 204 HD3 LYS 29 2HD LYS 29 -8.551 -11.769 2.029 205 HE2 LYS 29 1HE LYS 29 -10.698 -12.297 1.366 206 HE3 LYS 29 2HE LYS 29 -10.645 -11.218 -0.027 207 HZ1 LYS 29 1HZ LYS 29 -10.342 -13.887 -0.141 208 HZ2 LYS 29 2HZ LYS 29 -8.731 -13.374 -0.120 209 HZ3 LYS 29 3HZ LYS 29 -9.782 -12.808 -1.318 210 H LYS 30 H LYS 30 -7.465 -9.090 -2.570 211 HA LYS 30 HA LYS 30 -6.937 -6.877 -3.998 212 HB2 LYS 30 1HB LYS 30 -7.074 -9.054 -5.047 213 HB3 LYS 30 2HB LYS 30 -8.814 -9.108 -4.796 214 HG2 LYS 30 1HG LYS 30 -9.134 -7.288 -6.351 215 HG3 LYS 30 2HG LYS 30 -7.389 -7.113 -6.545 216 HD2 LYS 30 1HD LYS 30 -7.197 -9.130 -7.707 217 HD3 LYS 30 2HD LYS 30 -8.760 -9.715 -7.133 218 HE2 LYS 30 1HE LYS 30 -8.564 -7.278 -8.866 219 HE3 LYS 30 2HE LYS 30 -8.556 -8.893 -9.572 220 HZ1 LYS 30 1HZ LYS 30 -10.696 -9.324 -8.772 221 HZ2 LYS 30 2HZ LYS 30 -10.783 -7.743 -9.367 222 HZ3 LYS 30 3HZ LYS 30 -10.672 -8.015 -7.701 223 H GLY 31 H GLY 31 -7.854 -4.969 -4.384 224 HA2 GLY 31 1HA GLY 31 -9.716 -3.635 -5.091 225 HA3 GLY 31 2HA GLY 31 -10.787 -4.758 -4.266 226 H ALA 32 H ALA 32 -9.220 -4.863 -1.834 227 HA ALA 32 HA ALA 32 -10.441 -2.886 -0.337 228 HB1 ALA 32 1HB ALA 32 -7.959 -4.499 0.196 229 HB2 ALA 32 2HB ALA 32 -8.663 -3.405 1.387 230 HB3 ALA 32 3HB ALA 32 -9.595 -4.779 0.793 231 H SER 33 H SER 33 -10.002 -0.821 0.188 232 HA SER 33 HA SER 33 -8.014 0.585 -1.328 233 HB2 SER 33 1HB SER 33 -10.175 1.629 -0.884 234 HB3 SER 33 2HB SER 33 -9.885 1.542 0.853 235 HG SER 33 HG SER 33 -8.201 2.944 -0.944 236 H LEU 34 H LEU 34 -5.999 1.057 -0.753 237 HA LEU 34 HA LEU 34 -5.278 0.906 2.099 238 HB2 LEU 34 1HB LEU 34 -3.493 0.085 -0.182 239 HB3 LEU 34 2HB LEU 34 -3.185 -0.105 1.543 240 HG LEU 34 HG LEU 34 -5.548 -1.485 0.366 241 HD11 LEU 34 1HD1 LEU 34 -3.934 -3.443 -0.039 242 HD12 LEU 34 2HD1 LEU 34 -2.681 -2.205 -0.124 243 HD13 LEU 34 3HD1 LEU 34 -4.031 -2.172 -1.258 244 HD21 LEU 34 1HD2 LEU 34 -5.081 -1.513 2.788 245 HD22 LEU 34 2HD2 LEU 34 -3.529 -2.283 2.460 246 HD23 LEU 34 3HD2 LEU 34 -5.030 -3.122 2.067 247 H LEU 35 H LEU 35 -4.011 2.511 2.888 248 HA LEU 35 HA LEU 35 -3.417 4.723 1.062 249 HB2 LEU 35 1HB LEU 35 -4.720 4.829 3.361 250 HB3 LEU 35 2HB LEU 35 -3.085 4.952 4.009 251 HG LEU 35 HG LEU 35 -2.791 6.914 2.387 252 HD11 LEU 35 1HD1 LEU 35 -4.799 6.424 1.044 253 HD12 LEU 35 2HD1 LEU 35 -4.805 8.058 1.706 254 HD13 LEU 35 3HD1 LEU 35 -5.803 6.805 2.443 255 HD21 LEU 35 1HD2 LEU 35 -3.657 6.736 5.011 256 HD22 LEU 35 2HD2 LEU 35 -4.788 7.863 4.262 257 HD23 LEU 35 3HD2 LEU 35 -3.054 8.181 4.200 258 H LEU 36 H LEU 36 -1.387 5.514 0.751 259 HA LEU 36 HA LEU 36 0.810 4.016 2.020 260 HB2 LEU 36 1HB LEU 36 0.827 5.401 -0.656 261 HB3 LEU 36 2HB LEU 36 2.125 4.428 0.033 262 HG LEU 36 HG LEU 36 -0.550 3.473 -0.974 263 HD11 LEU 36 1HD1 LEU 36 2.252 3.384 -1.951 264 HD12 LEU 36 2HD1 LEU 36 0.745 3.587 -2.844 265 HD13 LEU 36 3HD1 LEU 36 1.216 1.990 -2.263 266 HD21 LEU 36 1HD2 LEU 36 1.603 1.961 0.499 267 HD22 LEU 36 2HD2 LEU 36 0.259 1.212 -0.364 268 HD23 LEU 36 3HD2 LEU 36 -0.054 2.241 1.034 269 H TYR 37 H TYR 37 2.483 5.117 2.934 270 HA TYR 37 HA TYR 37 2.201 8.046 3.049 271 HB2 TYR 37 1HB TYR 37 3.440 6.150 5.054 272 HB3 TYR 37 2HB TYR 37 3.401 7.902 5.213 273 HD1 TYR 37 1HD TYR 37 0.674 8.556 4.376 274 HD2 TYR 37 2HD TYR 37 2.089 5.325 6.755 275 HE1 TYR 37 1HE TYR 37 -1.522 8.410 5.474 276 HE2 TYR 37 2HE TYR 37 -0.103 5.170 7.859 277 HH TYR 37 HH TYR 37 -2.174 5.956 7.960 278 H GLN 38 H GLN 38 4.589 5.422 2.945 279 HA GLN 38 HA GLN 38 6.313 7.024 1.274 280 HB2 GLN 38 1HB GLN 38 6.782 7.480 3.822 281 HB3 GLN 38 2HB GLN 38 7.615 5.933 3.736 282 HG2 GLN 38 1HG GLN 38 8.757 7.042 1.643 283 HG3 GLN 38 2HG GLN 38 8.296 8.530 2.467 284 HE21 GLN 38 1HE2 GLN 38 10.644 8.825 2.532 285 HE22 GLN 38 2HE2 GLN 38 11.529 8.123 3.839 286 H ARG 39 H ARG 39 7.916 5.807 0.204 287 HA ARG 39 HA ARG 39 7.246 3.015 -0.068 288 HB2 ARG 39 1HB ARG 39 7.738 4.342 -2.056 289 HB3 ARG 39 2HB ARG 39 9.346 4.701 -1.442 290 HG2 ARG 39 1HG ARG 39 9.862 3.008 -2.861 291 HG3 ARG 39 2HG ARG 39 9.528 2.063 -1.409 292 HD2 ARG 39 1HD ARG 39 7.422 1.406 -2.180 293 HD3 ARG 39 2HD ARG 39 7.365 2.689 -3.389 294 HE ARG 39 HE ARG 39 8.610 0.105 -3.651 295 HH11 ARG 39 2HH1 ARG 39 8.504 3.384 -4.817 296 HH12 ARG 39 1HH1 ARG 39 9.170 2.992 -6.368 297 HH21 ARG 39 2HH2 ARG 39 9.487 -0.424 -5.690 298 HH22 ARG 39 1HH2 ARG 39 9.727 0.826 -6.864 299 H ALA 40 H ALA 40 7.923 1.806 1.623 300 HA ALA 40 HA ALA 40 10.219 2.168 3.151 301 HB1 ALA 40 1HB ALA 40 8.102 0.414 3.168 302 HB2 ALA 40 2HB ALA 40 9.484 -0.633 2.844 303 HB3 ALA 40 3HB ALA 40 9.472 0.393 4.279 304 H SER 41 H SER 41 9.730 0.259 0.212 305 HA SER 41 HA SER 41 12.538 0.408 -0.405 306 HB2 SER 41 1HB SER 41 11.292 -2.308 0.085 307 HB3 SER 41 2HB SER 41 12.921 -2.010 -0.520 308 HG SER 41 HG SER 41 12.399 -2.354 1.910 309 H ASP 42 H ASP 42 12.916 -1.125 -2.442 310 HA ASP 42 HA ASP 42 11.201 -0.119 -4.469 311 HB2 ASP 42 1HB ASP 42 13.256 -2.329 -4.686 312 HB3 ASP 42 2HB ASP 42 12.581 -1.391 -6.016 313 H ASP 43 H ASP 43 10.985 -2.806 -2.425 314 HA ASP 43 HA ASP 43 8.860 -3.943 -4.114 315 HB2 ASP 43 1HB ASP 43 11.155 -5.326 -2.798 316 HB3 ASP 43 2HB ASP 43 9.609 -6.166 -2.878 317 H TRP 44 H TRP 44 8.993 -2.086 -1.733 318 HA TRP 44 HA TRP 44 6.829 -3.333 -0.273 319 HB2 TRP 44 1HB TRP 44 9.457 -2.650 1.047 320 HB3 TRP 44 2HB TRP 44 7.953 -2.823 1.948 321 HD1 TRP 44 HD TRP 44 10.841 -4.789 0.808 322 HE1 TRP 44 1HE TRP 44 10.395 -7.310 1.073 323 HE3 TRP 44 3HE TRP 44 5.794 -4.641 1.613 324 HZ2 TRP 44 2HZ TRP 44 8.195 -9.011 1.559 325 HZ3 TRP 44 3HZ TRP 44 4.594 -6.759 1.969 326 HH2 TRP 44 HH TRP 44 5.771 -8.898 1.941 327 H TRP 45 H TRP 45 5.822 -1.811 1.279 328 HA TRP 45 HA TRP 45 6.437 1.004 0.746 329 HB2 TRP 45 1HB TRP 45 3.832 -0.392 0.223 330 HB3 TRP 45 2HB TRP 45 3.851 1.317 0.649 331 HD1 TRP 45 HD TRP 45 5.077 -1.074 -2.112 332 HE1 TRP 45 1HE TRP 45 5.437 0.294 -4.262 333 HE3 TRP 45 3HE TRP 45 4.260 3.612 -0.239 334 HZ2 TRP 45 2HZ TRP 45 5.383 3.001 -5.059 335 HZ3 TRP 45 3HZ TRP 45 4.435 5.537 -1.761 336 HH2 TRP 45 HH TRP 45 4.985 5.236 -4.121 337 H GLU 46 H GLU 46 5.219 2.472 2.249 338 HA GLU 46 HA GLU 46 4.727 1.160 4.840 339 HB2 GLU 46 1HB GLU 46 6.196 3.755 4.345 340 HB3 GLU 46 2HB GLU 46 5.743 3.148 5.931 341 HG2 GLU 46 1HG GLU 46 7.080 1.024 5.087 342 HG3 GLU 46 2HG GLU 46 7.873 2.239 4.086 343 H GLY 47 H GLY 47 2.556 1.285 4.991 344 HA2 GLY 47 1HA GLY 47 1.392 3.966 5.110 345 HA3 GLY 47 2HA GLY 47 0.680 2.831 3.972 346 H ARG 48 H ARG 48 -1.309 2.987 5.111 347 HA ARG 48 HA ARG 48 -1.346 1.339 7.546 348 HB2 ARG 48 1HB ARG 48 -1.644 3.623 8.275 349 HB3 ARG 48 2HB ARG 48 -2.886 3.892 7.059 350 HG2 ARG 48 1HG ARG 48 -4.349 2.303 8.180 351 HG3 ARG 48 2HG ARG 48 -3.099 1.996 9.388 352 HD2 ARG 48 1HD ARG 48 -4.055 4.786 8.905 353 HD3 ARG 48 2HD ARG 48 -5.019 3.687 9.892 354 HE ARG 48 HE ARG 48 -2.298 3.733 10.725 355 HH11 ARG 48 2HH1 ARG 48 -5.293 5.501 10.883 356 HH12 ARG 48 1HH1 ARG 48 -4.908 6.276 12.384 357 HH21 ARG 48 2HH2 ARG 48 -1.780 4.747 12.702 358 HH22 ARG 48 1HH2 ARG 48 -2.909 5.846 13.418 359 H HIS 49 H HIS 49 -3.208 0.066 7.849 360 HA HIS 49 HA HIS 49 -5.149 -0.001 5.660 361 HB2 HIS 49 1HB HIS 49 -3.689 -1.665 4.880 362 HB3 HIS 49 2HB HIS 49 -3.354 -2.261 6.503 363 HD1 HIS 49 1HD HIS 49 -4.612 -4.286 7.184 364 HD2 HIS 49 2HD HIS 49 -6.459 -2.291 4.043 365 HE1 HIS 49 1HE HIS 49 -6.545 -5.745 6.505 366 HE2 HIS 49 2HE HIS 49 -7.597 -4.559 4.548 367 H ASN 50 H ASN 50 -7.173 -0.273 6.363 368 HA ASN 50 HA ASN 50 -8.872 -0.300 7.908 369 HB2 ASN 50 1HB ASN 50 -7.488 -2.945 8.049 370 HB3 ASN 50 2HB ASN 50 -8.783 -2.613 9.195 371 HD21 ASN 50 1HD2 ASN 50 -10.466 -3.733 8.502 372 HD22 ASN 50 2HD2 ASN 50 -11.107 -3.699 6.898 373 H GLY 51 H GLY 51 -6.504 1.069 8.844 374 HA2 GLY 51 1HA GLY 51 -6.061 2.180 10.839 375 HA3 GLY 51 2HA GLY 51 -7.136 1.063 11.667 376 H ILE 52 H ILE 52 -4.429 0.119 9.631 377 HA ILE 52 HA ILE 52 -2.893 -0.630 12.015 378 HB ILE 52 HB ILE 52 -3.463 -2.494 9.708 379 HG12 ILE 52 1HG1 ILE 52 -4.204 -2.749 12.629 380 HG13 ILE 52 2HG1 ILE 52 -5.311 -2.219 11.368 381 HG21 ILE 52 1HG2 ILE 52 -1.131 -2.489 10.825 382 HG22 ILE 52 2HG2 ILE 52 -1.964 -3.232 12.189 383 HG23 ILE 52 3HG2 ILE 52 -1.974 -4.024 10.614 384 HD11 ILE 52 1HD1 ILE 52 -4.867 -4.817 12.226 385 HD12 ILE 52 2HD1 ILE 52 -5.762 -4.308 10.794 386 HD13 ILE 52 3HD1 ILE 52 -4.051 -4.713 10.666 387 H ASP 53 H ASP 53 -0.969 0.291 11.848 388 HA ASP 53 HA ASP 53 0.085 1.075 9.267 389 HB2 ASP 53 1HB ASP 53 1.718 2.318 10.473 390 HB3 ASP 53 2HB ASP 53 0.203 2.513 11.350 391 H GLY 54 H GLY 54 1.490 -0.060 8.100 392 HA2 GLY 54 1HA GLY 54 3.544 -1.665 9.287 393 HA3 GLY 54 2HA GLY 54 2.259 -2.646 8.597 394 H LEU 55 H LEU 55 3.544 -3.537 6.994 395 HA LEU 55 HA LEU 55 4.615 -1.665 4.994 396 HB2 LEU 55 1HB LEU 55 5.331 -4.492 5.708 397 HB3 LEU 55 2HB LEU 55 5.841 -3.757 4.190 398 HG LEU 55 HG LEU 55 6.533 -2.634 6.900 399 HD11 LEU 55 1HD1 LEU 55 7.844 -4.443 7.089 400 HD12 LEU 55 2HD1 LEU 55 8.854 -3.621 5.901 401 HD13 LEU 55 3HD1 LEU 55 7.705 -4.852 5.379 402 HD21 LEU 55 1HD2 LEU 55 6.581 -1.062 5.004 403 HD22 LEU 55 2HD2 LEU 55 7.702 -2.134 4.164 404 HD23 LEU 55 3HD2 LEU 55 8.185 -1.360 5.674 405 H ILE 56 H ILE 56 4.279 -2.102 2.761 406 HA ILE 56 HA ILE 56 2.096 -3.971 2.152 407 HB ILE 56 HB ILE 56 2.245 -1.092 1.254 408 HG12 ILE 56 1HG1 ILE 56 -0.034 -2.466 2.664 409 HG13 ILE 56 2HG1 ILE 56 1.293 -1.735 3.561 410 HG21 ILE 56 1HG2 ILE 56 1.260 -3.292 -0.172 411 HG22 ILE 56 2HG2 ILE 56 -0.155 -2.461 0.473 412 HG23 ILE 56 3HG2 ILE 56 1.006 -1.583 -0.523 413 HD11 ILE 56 1HD1 ILE 56 0.248 0.087 1.592 414 HD12 ILE 56 2HD1 ILE 56 -1.020 -0.490 2.674 415 HD13 ILE 56 3HD1 ILE 56 0.419 0.284 3.336 416 HA PRO 57 HA PRO 57 4.951 -5.156 -1.027 417 HB2 PRO 57 1HB PRO 57 3.291 -6.870 -2.321 418 HB3 PRO 57 2HB PRO 57 4.083 -7.270 -0.792 419 HG2 PRO 57 1HG PRO 57 1.288 -6.319 -1.286 420 HG3 PRO 57 2HG PRO 57 1.859 -7.593 -0.194 421 HD2 PRO 57 1HD PRO 57 1.222 -5.108 0.674 422 HD3 PRO 57 2HD PRO 57 2.492 -6.089 1.434 423 H HIS 58 H HIS 58 5.380 -4.562 -3.108 424 HA HIS 58 HA HIS 58 3.500 -2.721 -4.351 425 HB2 HIS 58 1HB HIS 58 5.876 -2.082 -4.136 426 HB3 HIS 58 2HB HIS 58 6.326 -3.448 -5.152 427 HD2 HIS 58 2HD HIS 58 5.770 -3.129 -7.896 428 HE1 HIS 58 1HE HIS 58 4.739 0.975 -7.597 429 HE2 HIS 58 2HE HIS 58 5.188 -0.949 -9.160 430 H GLN 59 H GLN 59 4.013 -5.967 -4.445 431 HA GLN 59 HA GLN 59 3.510 -6.254 -7.312 432 HB2 GLN 59 1HB GLN 59 4.116 -8.299 -5.172 433 HB3 GLN 59 2HB GLN 59 3.807 -8.693 -6.858 434 HG2 GLN 59 1HG GLN 59 5.753 -6.967 -7.264 435 HG3 GLN 59 2HG GLN 59 6.173 -7.407 -5.609 436 HE21 GLN 59 1HE2 GLN 59 7.205 -7.970 -8.482 437 HE22 GLN 59 2HE2 GLN 59 7.558 -9.661 -8.434 438 H TYR 60 H TYR 60 1.824 -6.088 -4.396 439 HA TYR 60 HA TYR 60 -0.528 -7.370 -5.627 440 HB2 TYR 60 1HB TYR 60 0.211 -7.232 -2.697 441 HB3 TYR 60 2HB TYR 60 -1.310 -7.862 -3.319 442 HD1 TYR 60 2HD TYR 60 2.373 -8.360 -3.704 443 HD2 TYR 60 1HD TYR 60 -1.493 -10.137 -3.690 444 HE1 TYR 60 2HE TYR 60 3.399 -10.582 -3.946 445 HE2 TYR 60 1HE TYR 60 -0.477 -12.364 -3.930 446 HH TYR 60 HH TYR 60 1.445 -13.526 -3.877 447 H ILE 61 H ILE 61 0.319 -4.610 -5.883 448 HA ILE 61 HA ILE 61 -2.166 -3.355 -5.171 449 HB ILE 61 HB ILE 61 -1.246 -1.531 -3.861 450 HG12 ILE 61 1HG1 ILE 61 1.186 -2.118 -2.928 451 HG13 ILE 61 2HG1 ILE 61 1.324 -2.895 -4.502 452 HG21 ILE 61 1HG2 ILE 61 -2.076 -3.561 -2.721 453 HG22 ILE 61 2HG2 ILE 61 -0.425 -4.177 -2.673 454 HG23 ILE 61 3HG2 ILE 61 -0.844 -2.707 -1.793 455 HD11 ILE 61 1HD1 ILE 61 0.323 -0.506 -5.231 456 HD12 ILE 61 2HD1 ILE 61 1.241 -0.048 -3.796 457 HD13 ILE 61 3HD1 ILE 61 2.046 -0.870 -5.133 458 H VAL 62 H VAL 62 -2.466 -1.312 -6.192 459 HA VAL 62 HA VAL 62 -0.541 -0.806 -8.366 460 HB VAL 62 HB VAL 62 -3.522 -0.316 -8.336 461 HG11 VAL 62 1HG1 VAL 62 -3.286 0.418 -10.626 462 HG12 VAL 62 2HG1 VAL 62 -2.260 1.404 -9.582 463 HG13 VAL 62 3HG1 VAL 62 -1.548 0.129 -10.572 464 HG21 VAL 62 1HG2 VAL 62 -3.196 -2.622 -8.635 465 HG22 VAL 62 2HG2 VAL 62 -3.399 -1.982 -10.265 466 HG23 VAL 62 3HG2 VAL 62 -1.788 -2.377 -9.667 467 H VAL 63 H VAL 63 0.706 0.800 -7.538 468 HA VAL 63 HA VAL 63 -0.254 2.927 -5.935 469 HB VAL 63 HB VAL 63 2.275 2.785 -7.584 470 HG11 VAL 63 1HG1 VAL 63 1.822 4.512 -5.172 471 HG12 VAL 63 2HG1 VAL 63 3.090 4.626 -6.394 472 HG13 VAL 63 3HG1 VAL 63 1.433 5.074 -6.797 473 HG21 VAL 63 1HG2 VAL 63 2.202 0.975 -6.005 474 HG22 VAL 63 2HG2 VAL 63 3.329 2.194 -5.411 475 HG23 VAL 63 3HG2 VAL 63 1.716 2.067 -4.709 476 H GLN 64 H GLN 64 -1.808 4.221 -6.735 477 HA GLN 64 HA GLN 64 -1.958 5.003 -9.471 478 HB2 GLN 64 1HB GLN 64 -3.347 6.208 -7.071 479 HB3 GLN 64 2HB GLN 64 -3.796 6.443 -8.755 480 HG2 GLN 64 1HG GLN 64 -3.687 3.670 -7.694 481 HG3 GLN 64 2HG GLN 64 -5.036 4.703 -7.225 482 HE21 GLN 64 1HE2 GLN 64 -4.609 2.288 -9.069 483 HE22 GLN 64 2HE2 GLN 64 -5.448 2.736 -10.512 484 H ASP 65 H ASP 65 -0.996 6.635 -10.485 485 HA ASP 65 HA ASP 65 0.610 8.503 -8.908 486 HB2 ASP 65 1HB ASP 65 1.512 9.119 -11.229 487 HB3 ASP 65 2HB ASP 65 1.905 7.517 -10.610 488 H THR 66 H THR 66 -2.124 8.946 -8.757 489 HA THR 66 HA THR 66 -2.426 11.421 -10.331 490 HB THR 66 HB THR 66 -4.053 9.716 -11.042 491 HG1 THR 66 1HG THR 66 -5.040 11.594 -11.311 492 HG21 THR 66 1HG2 THR 66 -4.184 9.122 -8.307 493 HG22 THR 66 2HG2 THR 66 -5.135 8.398 -9.604 494 HG23 THR 66 3HG2 THR 66 -5.762 9.791 -8.723 495 H SER 67 H SER 67 -2.912 13.256 -9.253 496 HA SER 67 HA SER 67 -2.596 13.302 -6.421 497 HB2 SER 67 1HB SER 67 -1.807 15.158 -7.802 498 HB3 SER 67 2HB SER 67 -3.455 15.487 -8.334 499 HG SER 67 HG SER 67 -2.918 15.451 -5.589 500 H GLY 68 H GLY 68 -4.143 12.555 -5.117 501 HA2 GLY 68 1HA GLY 68 -6.171 12.806 -3.960 502 HA3 GLY 68 2HA GLY 68 -6.805 13.729 -5.315 503 HA PRO 69 HA PRO 69 -8.444 9.301 -5.283 504 HB2 PRO 69 1HB PRO 69 -11.046 9.919 -4.817 505 HB3 PRO 69 2HB PRO 69 -9.887 9.602 -3.521 506 HG2 PRO 69 1HG PRO 69 -10.859 12.222 -4.594 507 HG3 PRO 69 2HG PRO 69 -10.607 11.727 -2.910 508 HD2 PRO 69 1HD PRO 69 -8.824 13.252 -4.262 509 HD3 PRO 69 2HD PRO 69 -8.334 12.092 -3.010 510 H SER 70 H SER 70 -9.660 8.363 -6.953 511 HA SER 70 HA SER 70 -10.397 10.214 -9.124 512 HB2 SER 70 1HB SER 70 -8.485 8.894 -9.781 513 HB3 SER 70 2HB SER 70 -9.281 7.405 -9.271 514 HG SER 70 HG SER 70 -9.467 8.730 -11.621 515 H SER 71 H SER 71 -12.548 10.396 -8.385 516 HA SER 71 HA SER 71 -14.304 8.431 -7.659 517 HB2 SER 71 1HB SER 71 -14.977 10.739 -7.577 518 HB3 SER 71 2HB SER 71 -14.820 10.901 -9.326 519 HG SER 71 HG SER 71 -16.590 9.585 -9.594 520 H GLY 72 H GLY 72 -15.537 6.900 -8.647 521 HA2 GLY 72 1HA GLY 72 -16.575 5.839 -10.491 522 HA3 GLY 72 2HA GLY 72 -15.523 6.742 -11.571 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -11.768 18.409 6.171 2 HA2 GLY 1 1HA GLY 1 -10.132 16.779 6.533 3 HA3 GLY 1 2HA GLY 1 -10.501 16.092 4.958 4 H SER 2 H SER 2 -7.988 17.109 6.458 5 HA SER 2 HA SER 2 -6.954 18.740 4.231 6 HB2 SER 2 1HB SER 2 -5.328 19.681 5.846 7 HB3 SER 2 2HB SER 2 -6.995 20.019 6.311 8 HG SER 2 HG SER 2 -6.823 18.170 7.726 9 H SER 3 H SER 3 -6.414 16.807 3.089 10 HA SER 3 HA SER 3 -4.961 14.654 3.951 11 HB2 SER 3 1HB SER 3 -4.934 16.102 1.307 12 HB3 SER 3 2HB SER 3 -3.995 14.632 1.571 13 HG SER 3 HG SER 3 -6.249 13.912 2.424 14 H GLY 4 H GLY 4 -3.629 17.713 2.698 15 HA2 GLY 4 1HA GLY 4 -1.643 18.237 4.397 16 HA3 GLY 4 2HA GLY 4 -0.946 16.905 3.486 17 H SER 5 H SER 5 0.149 19.499 3.587 18 HA SER 5 HA SER 5 -0.413 20.552 0.898 19 HB2 SER 5 1HB SER 5 -0.677 22.256 2.566 20 HB3 SER 5 2HB SER 5 0.861 21.838 3.320 21 HG SER 5 HG SER 5 0.363 23.491 1.235 22 H SER 6 H SER 6 2.389 20.218 3.085 23 HA SER 6 HA SER 6 4.157 20.001 0.785 24 HB2 SER 6 1HB SER 6 5.963 20.268 2.327 25 HB3 SER 6 2HB SER 6 4.706 21.399 2.827 26 HG SER 6 HG SER 6 4.080 19.382 4.185 27 H GLY 7 H GLY 7 2.328 17.863 1.113 28 HA2 GLY 7 1HA GLY 7 3.594 15.630 0.496 29 HA3 GLY 7 2HA GLY 7 3.896 15.662 2.227 30 H GLU 8 H GLU 8 1.985 14.322 -0.031 31 HA GLU 8 HA GLU 8 -0.207 13.942 1.892 32 HB2 GLU 8 1HB GLU 8 -1.861 14.097 0.210 33 HB3 GLU 8 2HB GLU 8 -0.806 15.481 -0.036 34 HG2 GLU 8 1HG GLU 8 0.290 14.381 -1.873 35 HG3 GLU 8 2HG GLU 8 -0.629 12.906 -1.581 36 HA PRO 9 HA PRO 9 0.400 9.634 1.301 37 HB2 PRO 9 1HB PRO 9 -2.113 8.705 1.737 38 HB3 PRO 9 2HB PRO 9 -1.078 9.319 3.031 39 HG2 PRO 9 1HG PRO 9 -3.294 10.696 1.563 40 HG3 PRO 9 2HG PRO 9 -2.926 10.705 3.298 41 HD2 PRO 9 1HD PRO 9 -2.244 12.746 1.655 42 HD3 PRO 9 2HD PRO 9 -1.270 12.291 3.068 43 H ILE 10 H ILE 10 -0.095 7.842 -0.076 44 HA ILE 10 HA ILE 10 -1.348 8.663 -2.608 45 HB ILE 10 HB ILE 10 0.621 6.418 -2.161 46 HG12 ILE 10 1HG1 ILE 10 1.171 9.047 -3.530 47 HG13 ILE 10 2HG1 ILE 10 1.464 8.812 -1.810 48 HG21 ILE 10 1HG2 ILE 10 -1.142 6.602 -4.169 49 HG22 ILE 10 2HG2 ILE 10 0.157 7.592 -4.831 50 HG23 ILE 10 3HG2 ILE 10 0.474 5.922 -4.364 51 HD11 ILE 10 1HD1 ILE 10 3.521 8.293 -2.565 52 HD12 ILE 10 2HD1 ILE 10 2.788 6.700 -2.761 53 HD13 ILE 10 3HD1 ILE 10 2.934 7.780 -4.147 54 H GLU 11 H GLU 11 -3.290 7.850 -2.997 55 HA GLU 11 HA GLU 11 -4.343 5.657 -1.477 56 HB2 GLU 11 1HB GLU 11 -5.389 7.506 -3.571 57 HB3 GLU 11 2HB GLU 11 -6.250 6.000 -3.285 58 HG2 GLU 11 1HG GLU 11 -6.882 6.602 -1.160 59 HG3 GLU 11 2HG GLU 11 -5.552 7.745 -0.974 60 H ALA 12 H ALA 12 -3.580 3.679 -1.904 61 HA ALA 12 HA ALA 12 -3.281 2.860 -4.713 62 HB1 ALA 12 1HB ALA 12 -1.500 1.620 -4.135 63 HB2 ALA 12 2HB ALA 12 -1.474 2.648 -2.702 64 HB3 ALA 12 3HB ALA 12 -2.245 1.063 -2.637 65 H ILE 13 H ILE 13 -3.816 0.550 -5.171 66 HA ILE 13 HA ILE 13 -6.094 -0.391 -3.562 67 HB ILE 13 HB ILE 13 -5.973 -0.371 -6.580 68 HG12 ILE 13 1HG1 ILE 13 -6.397 1.854 -5.563 69 HG13 ILE 13 2HG1 ILE 13 -7.777 1.251 -6.475 70 HG21 ILE 13 1HG2 ILE 13 -7.148 -2.309 -5.937 71 HG22 ILE 13 2HG2 ILE 13 -7.983 -1.465 -4.633 72 HG23 ILE 13 3HG2 ILE 13 -8.385 -1.110 -6.313 73 HD11 ILE 13 1HD1 ILE 13 -7.445 1.531 -3.522 74 HD12 ILE 13 2HD1 ILE 13 -8.742 2.115 -4.566 75 HD13 ILE 13 3HD1 ILE 13 -8.616 0.396 -4.193 76 H ALA 14 H ALA 14 -6.046 -2.491 -3.050 77 HA ALA 14 HA ALA 14 -3.807 -4.083 -3.407 78 HB1 ALA 14 1HB ALA 14 -5.496 -5.993 -2.873 79 HB2 ALA 14 2HB ALA 14 -5.153 -4.758 -1.661 80 HB3 ALA 14 3HB ALA 14 -6.629 -4.664 -2.622 81 H LYS 15 H LYS 15 -3.015 -5.140 -5.094 82 HA LYS 15 HA LYS 15 -4.543 -5.361 -7.532 83 HB2 LYS 15 1HB LYS 15 -1.947 -4.913 -7.127 84 HB3 LYS 15 2HB LYS 15 -1.882 -6.667 -7.242 85 HG2 LYS 15 1HG LYS 15 -2.674 -6.664 -9.448 86 HG3 LYS 15 2HG LYS 15 -3.230 -4.993 -9.334 87 HD2 LYS 15 1HD LYS 15 -1.292 -4.652 -10.485 88 HD3 LYS 15 2HD LYS 15 -0.656 -4.571 -8.840 89 HE2 LYS 15 1HE LYS 15 0.154 -6.794 -8.948 90 HE3 LYS 15 2HE LYS 15 -0.747 -7.126 -10.426 91 HZ1 LYS 15 1HZ LYS 15 0.673 -5.334 -11.469 92 HZ2 LYS 15 2HZ LYS 15 1.457 -6.784 -11.091 93 HZ3 LYS 15 3HZ LYS 15 1.656 -5.431 -10.095 94 H PHE 16 H PHE 16 -3.333 -7.510 -5.026 95 HA PHE 16 HA PHE 16 -5.168 -9.572 -5.921 96 HB2 PHE 16 1HB PHE 16 -2.260 -10.280 -5.538 97 HB3 PHE 16 2HB PHE 16 -3.549 -11.307 -6.157 98 HD1 PHE 16 2HD PHE 16 -4.752 -10.310 -8.315 99 HD2 PHE 16 1HD PHE 16 -0.795 -9.384 -7.051 100 HE1 PHE 16 2HE PHE 16 -4.177 -9.647 -10.613 101 HE2 PHE 16 1HE PHE 16 -0.213 -8.718 -9.347 102 HZ PHE 16 HZ PHE 16 -1.905 -8.850 -11.132 103 H ASP 17 H ASP 17 -5.945 -10.782 -4.271 104 HA ASP 17 HA ASP 17 -5.912 -9.959 -1.684 105 HB2 ASP 17 1HB ASP 17 -6.495 -12.361 -1.080 106 HB3 ASP 17 2HB ASP 17 -7.504 -11.602 -2.308 107 H TYR 18 H TYR 18 -4.158 -9.501 -0.514 108 HA TYR 18 HA TYR 18 -2.003 -11.507 -0.394 109 HB2 TYR 18 1HB TYR 18 -1.347 -9.289 -1.315 110 HB3 TYR 18 2HB TYR 18 -1.812 -8.550 0.214 111 HD1 TYR 18 1HD TYR 18 0.474 -11.115 -1.226 112 HD2 TYR 18 2HD TYR 18 -0.255 -8.368 1.941 113 HE1 TYR 18 1HE TYR 18 2.729 -11.544 -0.342 114 HE2 TYR 18 2HE TYR 18 1.998 -8.789 2.832 115 HH TYR 18 HH TYR 18 3.890 -11.376 1.899 116 H VAL 19 H VAL 19 -0.877 -11.679 1.690 117 HA VAL 19 HA VAL 19 -2.489 -10.907 4.012 118 HB VAL 19 HB VAL 19 -3.175 -13.196 3.438 119 HG11 VAL 19 1HG1 VAL 19 -0.562 -13.563 2.695 120 HG12 VAL 19 2HG1 VAL 19 -0.661 -14.461 4.211 121 HG13 VAL 19 3HG1 VAL 19 -1.763 -14.840 2.887 122 HG21 VAL 19 1HG2 VAL 19 -2.166 -14.216 5.707 123 HG22 VAL 19 2HG2 VAL 19 -1.793 -12.511 5.958 124 HG23 VAL 19 3HG2 VAL 19 -3.459 -13.017 5.677 125 H GLY 20 H GLY 20 -1.151 -9.738 5.225 126 HA2 GLY 20 1HA GLY 20 1.588 -9.584 5.084 127 HA3 GLY 20 2HA GLY 20 0.666 -9.205 6.531 128 H ARG 21 H ARG 21 2.871 -11.346 5.074 129 HA ARG 21 HA ARG 21 2.507 -13.709 6.480 130 HB2 ARG 21 1HB ARG 21 4.990 -12.365 5.432 131 HB3 ARG 21 2HB ARG 21 5.048 -13.934 6.224 132 HG2 ARG 21 1HG ARG 21 3.301 -14.665 4.509 133 HG3 ARG 21 2HG ARG 21 3.730 -13.191 3.638 134 HD2 ARG 21 1HD ARG 21 6.164 -14.039 3.905 135 HD3 ARG 21 2HD ARG 21 5.408 -15.599 4.230 136 HE ARG 21 HE ARG 21 5.577 -14.242 1.695 137 HH11 ARG 21 2HH1 ARG 21 3.889 -16.637 3.574 138 HH12 ARG 21 1HH1 ARG 21 3.293 -17.492 2.190 139 HH21 ARG 21 2HH2 ARG 21 4.798 -15.359 -0.135 140 HH22 ARG 21 1HH2 ARG 21 3.812 -16.765 0.081 141 H THR 22 H THR 22 4.137 -10.738 7.454 142 HA THR 22 HA THR 22 4.320 -11.823 10.189 143 HB THR 22 HB THR 22 6.320 -10.465 10.565 144 HG1 THR 22 1HG THR 22 7.173 -9.208 8.979 145 HG21 THR 22 1HG2 THR 22 6.189 -12.605 8.558 146 HG22 THR 22 2HG2 THR 22 7.204 -12.456 9.993 147 HG23 THR 22 3HG2 THR 22 7.660 -11.634 8.501 148 H ALA 23 H ALA 23 4.217 -10.207 11.903 149 HA ALA 23 HA ALA 23 2.017 -8.614 11.881 150 HB1 ALA 23 1HB ALA 23 4.515 -8.586 13.487 151 HB2 ALA 23 2HB ALA 23 3.412 -7.218 13.646 152 HB3 ALA 23 3HB ALA 23 2.845 -8.852 13.991 153 H ARG 24 H ARG 24 5.323 -7.586 11.079 154 HA ARG 24 HA ARG 24 4.965 -4.896 10.717 155 HB2 ARG 24 1HB ARG 24 6.718 -6.916 9.388 156 HB3 ARG 24 2HB ARG 24 6.666 -5.286 8.732 157 HG2 ARG 24 1HG ARG 24 7.094 -4.594 11.218 158 HG3 ARG 24 2HG ARG 24 7.708 -6.244 11.349 159 HD2 ARG 24 1HD ARG 24 9.090 -5.686 9.263 160 HD3 ARG 24 2HD ARG 24 8.691 -4.004 9.610 161 HE ARG 24 HE ARG 24 9.687 -5.096 11.955 162 HH11 ARG 24 2HH1 ARG 24 10.808 -4.460 8.722 163 HH12 ARG 24 1HH1 ARG 24 12.459 -4.238 9.198 164 HH21 ARG 24 2HH2 ARG 24 11.857 -4.806 12.595 165 HH22 ARG 24 1HH2 ARG 24 13.055 -4.436 11.401 166 H GLU 25 H GLU 25 4.508 -7.404 8.224 167 HA GLU 25 HA GLU 25 3.516 -5.620 6.263 168 HB2 GLU 25 1HB GLU 25 3.339 -8.614 6.574 169 HB3 GLU 25 2HB GLU 25 2.646 -7.767 5.198 170 HG2 GLU 25 1HG GLU 25 5.543 -7.878 5.993 171 HG3 GLU 25 2HG GLU 25 4.790 -8.615 4.580 172 H LEU 26 H LEU 26 1.267 -6.019 5.268 173 HA LEU 26 HA LEU 26 -0.749 -6.251 7.398 174 HB2 LEU 26 1HB LEU 26 -0.920 -4.266 5.147 175 HB3 LEU 26 2HB LEU 26 -1.943 -4.373 6.578 176 HG LEU 26 HG LEU 26 0.981 -3.644 6.666 177 HD11 LEU 26 1HD1 LEU 26 0.516 -1.477 6.314 178 HD12 LEU 26 2HD1 LEU 26 -1.032 -1.564 7.153 179 HD13 LEU 26 3HD1 LEU 26 -0.906 -2.105 5.479 180 HD21 LEU 26 1HD2 LEU 26 0.700 -3.931 8.850 181 HD22 LEU 26 2HD2 LEU 26 -1.027 -4.227 8.648 182 HD23 LEU 26 3HD2 LEU 26 -0.430 -2.577 8.824 183 H SER 27 H SER 27 -2.478 -7.473 6.923 184 HA SER 27 HA SER 27 -2.531 -8.793 4.334 185 HB2 SER 27 1HB SER 27 -2.867 -10.390 5.970 186 HB3 SER 27 2HB SER 27 -3.781 -9.292 7.004 187 HG SER 27 HG SER 27 -4.688 -10.452 4.575 188 H PHE 28 H PHE 28 -3.962 -8.414 2.758 189 HA PHE 28 HA PHE 28 -6.429 -6.968 3.346 190 HB2 PHE 28 1HB PHE 28 -5.955 -5.499 1.300 191 HB3 PHE 28 2HB PHE 28 -5.080 -5.120 2.779 192 HD1 PHE 28 1HD PHE 28 -4.805 -6.658 -0.556 193 HD2 PHE 28 2HD PHE 28 -2.718 -5.280 2.889 194 HE1 PHE 28 1HE PHE 28 -2.676 -6.838 -1.777 195 HE2 PHE 28 2HE PHE 28 -0.587 -5.456 1.673 196 HZ PHE 28 HZ PHE 28 -0.564 -6.235 -0.664 197 H LYS 29 H LYS 29 -7.702 -6.725 1.165 198 HA LYS 29 HA LYS 29 -7.409 -9.228 -0.361 199 HB2 LYS 29 1HB LYS 29 -9.932 -7.951 0.696 200 HB3 LYS 29 2HB LYS 29 -9.933 -9.211 -0.530 201 HG2 LYS 29 1HG LYS 29 -8.615 -9.590 2.138 202 HG3 LYS 29 2HG LYS 29 -10.329 -9.921 1.876 203 HD2 LYS 29 1HD LYS 29 -8.337 -11.106 0.002 204 HD3 LYS 29 2HD LYS 29 -8.516 -11.815 1.609 205 HE2 LYS 29 1HE LYS 29 -10.080 -13.038 0.492 206 HE3 LYS 29 2HE LYS 29 -11.084 -11.674 0.980 207 HZ1 LYS 29 1HZ LYS 29 -11.450 -11.170 -1.131 208 HZ2 LYS 29 2HZ LYS 29 -10.645 -12.586 -1.587 209 HZ3 LYS 29 3HZ LYS 29 -9.795 -11.127 -1.482 210 H LYS 30 H LYS 30 -7.648 -9.105 -2.541 211 HA LYS 30 HA LYS 30 -7.044 -6.962 -4.017 212 HB2 LYS 30 1HB LYS 30 -7.397 -9.209 -4.956 213 HB3 LYS 30 2HB LYS 30 -9.136 -9.002 -4.799 214 HG2 LYS 30 1HG LYS 30 -9.184 -7.328 -6.465 215 HG3 LYS 30 2HG LYS 30 -7.425 -7.174 -6.460 216 HD2 LYS 30 1HD LYS 30 -7.117 -9.117 -7.652 217 HD3 LYS 30 2HD LYS 30 -8.642 -9.819 -7.107 218 HE2 LYS 30 1HE LYS 30 -9.836 -8.135 -8.502 219 HE3 LYS 30 2HE LYS 30 -8.273 -7.611 -9.128 220 HZ1 LYS 30 1HZ LYS 30 -9.323 -9.173 -10.626 221 HZ2 LYS 30 2HZ LYS 30 -9.431 -10.332 -9.400 222 HZ3 LYS 30 3HZ LYS 30 -7.916 -9.852 -9.978 223 H GLY 31 H GLY 31 -7.879 -5.043 -4.569 224 HA2 GLY 31 1HA GLY 31 -9.625 -3.567 -5.188 225 HA3 GLY 31 2HA GLY 31 -10.774 -4.630 -4.389 226 H ALA 32 H ALA 32 -9.356 -4.873 -1.921 227 HA ALA 32 HA ALA 32 -10.450 -2.905 -0.388 228 HB1 ALA 32 1HB ALA 32 -8.659 -3.436 1.299 229 HB2 ALA 32 2HB ALA 32 -9.550 -4.824 0.674 230 HB3 ALA 32 3HB ALA 32 -7.927 -4.477 0.078 231 H SER 33 H SER 33 -9.937 -0.877 0.292 232 HA SER 33 HA SER 33 -7.987 0.567 -1.280 233 HB2 SER 33 1HB SER 33 -10.244 1.504 -0.767 234 HB3 SER 33 2HB SER 33 -9.781 1.595 0.932 235 HG SER 33 HG SER 33 -9.328 3.376 -0.953 236 H LEU 34 H LEU 34 -6.009 1.159 -0.657 237 HA LEU 34 HA LEU 34 -5.321 0.984 2.199 238 HB2 LEU 34 1HB LEU 34 -3.452 0.184 -0.016 239 HB3 LEU 34 2HB LEU 34 -3.248 -0.060 1.718 240 HG LEU 34 HG LEU 34 -5.543 -1.388 0.361 241 HD11 LEU 34 1HD1 LEU 34 -4.321 -3.056 -0.624 242 HD12 LEU 34 2HD1 LEU 34 -2.906 -2.772 0.389 243 HD13 LEU 34 3HD1 LEU 34 -3.279 -1.667 -0.934 244 HD21 LEU 34 1HD2 LEU 34 -5.678 -2.109 2.470 245 HD22 LEU 34 2HD2 LEU 34 -4.039 -1.579 2.851 246 HD23 LEU 34 3HD2 LEU 34 -4.303 -3.140 2.073 247 H LEU 35 H LEU 35 -4.231 2.680 2.996 248 HA LEU 35 HA LEU 35 -3.529 4.831 1.141 249 HB2 LEU 35 1HB LEU 35 -4.965 4.977 3.364 250 HB3 LEU 35 2HB LEU 35 -3.371 5.164 4.090 251 HG LEU 35 HG LEU 35 -3.051 7.069 2.388 252 HD11 LEU 35 1HD1 LEU 35 -4.983 8.102 1.505 253 HD12 LEU 35 2HD1 LEU 35 -6.057 7.048 2.424 254 HD13 LEU 35 3HD1 LEU 35 -5.107 6.392 1.091 255 HD21 LEU 35 1HD2 LEU 35 -3.259 8.254 4.249 256 HD22 LEU 35 2HD2 LEU 35 -4.181 6.945 4.990 257 HD23 LEU 35 3HD2 LEU 35 -5.014 8.211 4.087 258 H LEU 36 H LEU 36 -1.489 5.228 0.614 259 HA LEU 36 HA LEU 36 0.641 3.935 2.155 260 HB2 LEU 36 1HB LEU 36 0.832 5.268 -0.538 261 HB3 LEU 36 2HB LEU 36 2.037 4.235 0.227 262 HG LEU 36 HG LEU 36 -0.666 3.346 -0.778 263 HD11 LEU 36 1HD1 LEU 36 1.065 1.968 -2.246 264 HD12 LEU 36 2HD1 LEU 36 2.049 3.403 -1.963 265 HD13 LEU 36 3HD1 LEU 36 0.470 3.555 -2.732 266 HD21 LEU 36 1HD2 LEU 36 0.619 1.073 -0.433 267 HD22 LEU 36 2HD2 LEU 36 -0.269 1.833 0.888 268 HD23 LEU 36 3HD2 LEU 36 1.483 2.010 0.785 269 H TYR 37 H TYR 37 2.333 5.056 3.046 270 HA TYR 37 HA TYR 37 2.010 7.980 3.144 271 HB2 TYR 37 1HB TYR 37 3.336 6.138 5.144 272 HB3 TYR 37 2HB TYR 37 3.186 7.884 5.304 273 HD1 TYR 37 1HD TYR 37 0.435 8.398 4.514 274 HD2 TYR 37 2HD TYR 37 2.032 5.194 6.812 275 HE1 TYR 37 1HE TYR 37 -1.744 8.113 5.619 276 HE2 TYR 37 2HE TYR 37 -0.142 4.899 7.923 277 HH TYR 37 HH TYR 37 -2.751 7.169 7.487 278 H GLN 38 H GLN 38 4.453 5.404 3.054 279 HA GLN 38 HA GLN 38 6.142 7.059 1.382 280 HB2 GLN 38 1HB GLN 38 8.137 6.619 2.889 281 HB3 GLN 38 2HB GLN 38 6.983 7.817 3.459 282 HG2 GLN 38 1HG GLN 38 5.944 5.757 4.706 283 HG3 GLN 38 2HG GLN 38 7.565 5.095 4.501 284 HE21 GLN 38 1HE2 GLN 38 5.586 7.271 6.225 285 HE22 GLN 38 2HE2 GLN 38 6.800 7.908 7.274 286 H ARG 39 H ARG 39 8.152 5.816 0.721 287 HA ARG 39 HA ARG 39 7.381 3.023 0.259 288 HB2 ARG 39 1HB ARG 39 7.770 4.446 -1.727 289 HB3 ARG 39 2HB ARG 39 9.423 4.716 -1.191 290 HG2 ARG 39 1HG ARG 39 9.771 3.039 -2.684 291 HG3 ARG 39 2HG ARG 39 9.497 2.080 -1.228 292 HD2 ARG 39 1HD ARG 39 7.328 1.507 -1.870 293 HD3 ARG 39 2HD ARG 39 7.227 2.825 -3.037 294 HE ARG 39 HE ARG 39 8.226 0.205 -3.509 295 HH11 ARG 39 2HH1 ARG 39 8.657 3.546 -4.389 296 HH12 ARG 39 1HH1 ARG 39 9.316 3.185 -5.950 297 HH21 ARG 39 2HH2 ARG 39 9.093 -0.283 -5.562 298 HH22 ARG 39 1HH2 ARG 39 9.563 1.007 -6.617 299 H ALA 40 H ALA 40 8.233 1.685 1.718 300 HA ALA 40 HA ALA 40 10.582 2.209 3.204 301 HB1 ALA 40 1HB ALA 40 10.263 -0.481 3.441 302 HB2 ALA 40 2HB ALA 40 9.406 0.723 4.405 303 HB3 ALA 40 3HB ALA 40 8.638 0.027 2.978 304 H SER 41 H SER 41 9.936 0.121 0.408 305 HA SER 41 HA SER 41 12.729 0.291 -0.359 306 HB2 SER 41 1HB SER 41 11.458 -2.202 0.665 307 HB3 SER 41 2HB SER 41 12.544 -2.348 -0.717 308 HG SER 41 HG SER 41 13.270 -0.947 1.629 309 H ASP 42 H ASP 42 12.970 -1.266 -2.422 310 HA ASP 42 HA ASP 42 11.224 -0.159 -4.377 311 HB2 ASP 42 1HB ASP 42 13.082 -2.491 -4.827 312 HB3 ASP 42 2HB ASP 42 12.558 -1.275 -5.988 313 H ASP 43 H ASP 43 11.006 -2.877 -2.367 314 HA ASP 43 HA ASP 43 8.781 -3.916 -3.989 315 HB2 ASP 43 1HB ASP 43 11.015 -5.313 -3.881 316 HB3 ASP 43 2HB ASP 43 10.393 -5.788 -2.303 317 H TRP 44 H TRP 44 8.920 -2.066 -1.680 318 HA TRP 44 HA TRP 44 6.868 -3.344 -0.096 319 HB2 TRP 44 1HB TRP 44 9.508 -2.510 1.112 320 HB3 TRP 44 2HB TRP 44 8.047 -2.756 2.064 321 HD1 TRP 44 HD TRP 44 11.030 -4.554 1.014 322 HE1 TRP 44 1HE TRP 44 10.731 -7.098 1.264 323 HE3 TRP 44 3HE TRP 44 5.954 -4.721 1.603 324 HZ2 TRP 44 2HZ TRP 44 8.623 -8.933 1.658 325 HZ3 TRP 44 3HZ TRP 44 4.874 -6.910 1.910 326 HH2 TRP 44 HH TRP 44 6.182 -8.972 1.936 327 H TRP 45 H TRP 45 5.858 -1.817 1.442 328 HA TRP 45 HA TRP 45 6.374 1.004 0.857 329 HB2 TRP 45 1HB TRP 45 3.819 -0.474 0.319 330 HB3 TRP 45 2HB TRP 45 3.775 1.235 0.746 331 HD1 TRP 45 HD TRP 45 5.097 -1.112 -2.007 332 HE1 TRP 45 1HE TRP 45 5.432 0.270 -4.153 333 HE3 TRP 45 3HE TRP 45 4.124 3.545 -0.134 334 HZ2 TRP 45 2HZ TRP 45 5.302 2.975 -4.946 335 HZ3 TRP 45 3HZ TRP 45 4.252 5.477 -1.653 336 HH2 TRP 45 HH TRP 45 4.829 5.196 -4.008 337 H GLU 46 H GLU 46 5.079 2.448 2.331 338 HA GLU 46 HA GLU 46 4.590 1.149 4.928 339 HB2 GLU 46 1HB GLU 46 6.039 3.760 4.450 340 HB3 GLU 46 2HB GLU 46 5.586 3.134 6.030 341 HG2 GLU 46 1HG GLU 46 6.955 1.035 5.177 342 HG3 GLU 46 2HG GLU 46 7.736 2.266 4.186 343 H GLY 47 H GLY 47 2.374 1.216 4.788 344 HA2 GLY 47 1HA GLY 47 1.203 3.920 4.878 345 HA3 GLY 47 2HA GLY 47 0.490 2.682 3.854 346 H ARG 48 H ARG 48 -1.483 2.886 5.000 347 HA ARG 48 HA ARG 48 -1.458 1.447 7.563 348 HB2 ARG 48 1HB ARG 48 -1.767 3.738 8.179 349 HB3 ARG 48 2HB ARG 48 -2.961 3.980 6.911 350 HG2 ARG 48 1HG ARG 48 -4.259 2.107 8.207 351 HG3 ARG 48 2HG ARG 48 -3.240 2.635 9.548 352 HD2 ARG 48 1HD ARG 48 -5.046 4.019 9.823 353 HD3 ARG 48 2HD ARG 48 -4.026 5.020 8.791 354 HE ARG 48 HE ARG 48 -5.906 3.350 7.375 355 HH11 ARG 48 2HH1 ARG 48 -5.329 6.440 8.870 356 HH12 ARG 48 1HH1 ARG 48 -6.555 7.256 7.958 357 HH21 ARG 48 2HH2 ARG 48 -7.523 4.413 6.168 358 HH22 ARG 48 1HH2 ARG 48 -7.803 6.102 6.422 359 H HIS 49 H HIS 49 -3.233 0.122 7.960 360 HA HIS 49 HA HIS 49 -5.260 -0.088 5.855 361 HB2 HIS 49 1HB HIS 49 -3.659 -1.741 5.191 362 HB3 HIS 49 2HB HIS 49 -3.506 -2.342 6.839 363 HD1 HIS 49 1HD HIS 49 -4.717 -4.454 7.203 364 HD2 HIS 49 2HD HIS 49 -6.539 -2.127 4.283 365 HE1 HIS 49 1HE HIS 49 -6.675 -5.807 6.390 366 HE2 HIS 49 2HE HIS 49 -7.711 -4.415 4.564 367 H ASN 50 H ASN 50 -7.137 0.174 6.858 368 HA ASN 50 HA ASN 50 -8.795 0.083 8.414 369 HB2 ASN 50 1HB ASN 50 -8.357 -2.408 7.787 370 HB3 ASN 50 2HB ASN 50 -7.655 -2.514 9.399 371 HD21 ASN 50 1HD2 ASN 50 -9.690 -4.103 9.000 372 HD22 ASN 50 2HD2 ASN 50 -11.134 -3.521 9.749 373 H GLY 51 H GLY 51 -6.508 1.522 9.195 374 HA2 GLY 51 1HA GLY 51 -5.862 2.636 11.115 375 HA3 GLY 51 2HA GLY 51 -6.929 1.586 12.035 376 H ILE 52 H ILE 52 -4.366 0.462 9.911 377 HA ILE 52 HA ILE 52 -2.723 -0.225 12.241 378 HB ILE 52 HB ILE 52 -3.399 -2.203 10.061 379 HG12 ILE 52 1HG1 ILE 52 -4.233 -2.296 12.963 380 HG13 ILE 52 2HG1 ILE 52 -5.268 -1.670 11.683 381 HG21 ILE 52 1HG2 ILE 52 -1.143 -2.434 11.010 382 HG22 ILE 52 2HG2 ILE 52 -1.847 -2.558 12.621 383 HG23 ILE 52 3HG2 ILE 52 -2.178 -3.802 11.417 384 HD11 ILE 52 1HD1 ILE 52 -5.289 -4.219 12.545 385 HD12 ILE 52 2HD1 ILE 52 -5.778 -3.717 10.926 386 HD13 ILE 52 3HD1 ILE 52 -4.153 -4.343 11.202 387 H ASP 53 H ASP 53 -0.721 0.462 11.928 388 HA ASP 53 HA ASP 53 0.188 1.105 9.240 389 HB2 ASP 53 1HB ASP 53 1.782 2.477 10.222 390 HB3 ASP 53 2HB ASP 53 0.471 2.558 11.395 391 H GLY 54 H GLY 54 1.614 -0.055 8.099 392 HA2 GLY 54 1HA GLY 54 3.566 -1.759 9.325 393 HA3 GLY 54 2HA GLY 54 2.242 -2.673 8.617 394 H LEU 55 H LEU 55 3.412 -3.632 6.994 395 HA LEU 55 HA LEU 55 4.613 -1.821 5.006 396 HB2 LEU 55 1HB LEU 55 5.277 -4.623 5.831 397 HB3 LEU 55 2HB LEU 55 5.763 -4.005 4.254 398 HG LEU 55 HG LEU 55 6.571 -2.808 6.904 399 HD11 LEU 55 1HD1 LEU 55 8.445 -4.056 6.905 400 HD12 LEU 55 2HD1 LEU 55 8.562 -4.083 5.146 401 HD13 LEU 55 3HD1 LEU 55 7.451 -5.175 5.972 402 HD21 LEU 55 1HD2 LEU 55 8.265 -1.661 5.419 403 HD22 LEU 55 2HD2 LEU 55 6.597 -1.107 5.264 404 HD23 LEU 55 3HD2 LEU 55 7.285 -2.185 4.049 405 H ILE 56 H ILE 56 4.328 -2.340 2.767 406 HA ILE 56 HA ILE 56 2.131 -4.180 2.153 407 HB ILE 56 HB ILE 56 2.250 -1.299 1.256 408 HG12 ILE 56 1HG1 ILE 56 -0.016 -2.670 2.684 409 HG13 ILE 56 2HG1 ILE 56 1.323 -1.958 3.578 410 HG21 ILE 56 1HG2 ILE 56 -0.137 -2.749 0.518 411 HG22 ILE 56 2HG2 ILE 56 0.944 -1.778 -0.479 412 HG23 ILE 56 3HG2 ILE 56 1.306 -3.479 -0.186 413 HD11 ILE 56 1HD1 ILE 56 0.109 -0.200 1.574 414 HD12 ILE 56 2HD1 ILE 56 -0.946 -0.657 2.912 415 HD13 ILE 56 3HD1 ILE 56 0.599 0.130 3.235 416 HA PRO 57 HA PRO 57 4.989 -5.319 -1.036 417 HB2 PRO 57 1HB PRO 57 3.333 -7.012 -2.364 418 HB3 PRO 57 2HB PRO 57 4.115 -7.435 -0.837 419 HG2 PRO 57 1HG PRO 57 1.324 -6.471 -1.333 420 HG3 PRO 57 2HG PRO 57 1.887 -7.763 -0.256 421 HD2 PRO 57 1HD PRO 57 1.251 -5.289 0.644 422 HD3 PRO 57 2HD PRO 57 2.515 -6.283 1.397 423 H HIS 58 H HIS 58 5.460 -4.585 -3.042 424 HA HIS 58 HA HIS 58 3.576 -2.764 -4.289 425 HB2 HIS 58 1HB HIS 58 5.934 -2.104 -4.046 426 HB3 HIS 58 2HB HIS 58 6.420 -3.467 -5.050 427 HD2 HIS 58 2HD HIS 58 5.733 -3.198 -7.813 428 HE1 HIS 58 1HE HIS 58 4.989 0.970 -7.531 429 HE2 HIS 58 2HE HIS 58 5.259 -0.995 -9.084 430 H GLN 59 H GLN 59 4.078 -6.005 -4.441 431 HA GLN 59 HA GLN 59 3.637 -6.243 -7.320 432 HB2 GLN 59 1HB GLN 59 4.426 -8.145 -5.150 433 HB3 GLN 59 2HB GLN 59 3.698 -8.776 -6.621 434 HG2 GLN 59 1HG GLN 59 6.090 -6.963 -6.651 435 HG3 GLN 59 2HG GLN 59 6.221 -8.717 -6.532 436 HE21 GLN 59 1HE2 GLN 59 7.060 -6.798 -8.630 437 HE22 GLN 59 2HE2 GLN 59 6.341 -7.379 -10.089 438 H TYR 60 H TYR 60 1.949 -6.404 -4.322 439 HA TYR 60 HA TYR 60 -0.411 -7.529 -5.677 440 HB2 TYR 60 1HB TYR 60 0.264 -7.428 -2.730 441 HB3 TYR 60 2HB TYR 60 -1.246 -8.044 -3.392 442 HD1 TYR 60 2HD TYR 60 2.439 -8.546 -3.782 443 HD2 TYR 60 1HD TYR 60 -1.427 -10.321 -3.718 444 HE1 TYR 60 2HE TYR 60 3.462 -10.769 -4.030 445 HE2 TYR 60 1HE TYR 60 -0.414 -12.549 -3.964 446 HH TYR 60 HH TYR 60 3.028 -12.950 -4.540 447 H ILE 61 H ILE 61 0.455 -4.764 -5.869 448 HA ILE 61 HA ILE 61 -2.046 -3.514 -5.200 449 HB ILE 61 HB ILE 61 -1.179 -1.727 -3.830 450 HG12 ILE 61 1HG1 ILE 61 1.271 -2.267 -2.906 451 HG13 ILE 61 2HG1 ILE 61 1.431 -2.991 -4.503 452 HG21 ILE 61 1HG2 ILE 61 -1.953 -3.788 -2.725 453 HG22 ILE 61 2HG2 ILE 61 -0.294 -4.382 -2.711 454 HG23 ILE 61 3HG2 ILE 61 -0.722 -2.942 -1.787 455 HD11 ILE 61 1HD1 ILE 61 0.428 -0.671 -5.259 456 HD12 ILE 61 2HD1 ILE 61 1.127 -0.150 -3.726 457 HD13 ILE 61 3HD1 ILE 61 2.152 -0.889 -4.956 458 H VAL 62 H VAL 62 -2.298 -1.426 -6.171 459 HA VAL 62 HA VAL 62 -0.301 -0.867 -8.267 460 HB VAL 62 HB VAL 62 -3.293 -0.481 -8.434 461 HG11 VAL 62 1HG1 VAL 62 -1.034 0.442 -10.096 462 HG12 VAL 62 2HG1 VAL 62 -2.428 -0.211 -10.959 463 HG13 VAL 62 3HG1 VAL 62 -2.631 1.150 -9.855 464 HG21 VAL 62 1HG2 VAL 62 -3.402 -2.338 -9.831 465 HG22 VAL 62 2HG2 VAL 62 -1.666 -2.330 -10.142 466 HG23 VAL 62 3HG2 VAL 62 -2.279 -2.851 -8.572 467 H VAL 63 H VAL 63 0.761 0.935 -7.781 468 HA VAL 63 HA VAL 63 -0.340 2.960 -6.071 469 HB VAL 63 HB VAL 63 2.224 2.909 -7.668 470 HG11 VAL 63 1HG1 VAL 63 2.658 5.008 -7.057 471 HG12 VAL 63 2HG1 VAL 63 0.952 5.137 -6.626 472 HG13 VAL 63 3HG1 VAL 63 2.143 4.711 -5.397 473 HG21 VAL 63 1HG2 VAL 63 2.778 2.868 -4.945 474 HG22 VAL 63 2HG2 VAL 63 1.419 1.760 -5.138 475 HG23 VAL 63 3HG2 VAL 63 2.897 1.513 -6.068 476 H GLN 64 H GLN 64 -1.753 4.421 -6.749 477 HA GLN 64 HA GLN 64 -1.981 5.094 -9.552 478 HB2 GLN 64 1HB GLN 64 -3.507 6.191 -7.185 479 HB3 GLN 64 2HB GLN 64 -3.931 6.392 -8.879 480 HG2 GLN 64 1HG GLN 64 -3.665 3.642 -7.773 481 HG3 GLN 64 2HG GLN 64 -5.106 4.587 -7.400 482 HE21 GLN 64 1HE2 GLN 64 -4.380 2.178 -9.179 483 HE22 GLN 64 2HE2 GLN 64 -5.183 2.534 -10.666 484 H ASP 65 H ASP 65 -0.589 6.502 -10.388 485 HA ASP 65 HA ASP 65 0.262 8.794 -8.753 486 HB2 ASP 65 1HB ASP 65 2.002 7.218 -9.727 487 HB3 ASP 65 2HB ASP 65 1.547 7.837 -11.312 488 H THR 66 H THR 66 -0.365 10.787 -9.277 489 HA THR 66 HA THR 66 -1.835 11.150 -11.797 490 HB THR 66 HB THR 66 -1.915 12.830 -9.282 491 HG1 THR 66 1HG THR 66 -3.501 10.732 -10.287 492 HG21 THR 66 1HG2 THR 66 -4.127 13.192 -11.083 493 HG22 THR 66 2HG2 THR 66 -2.607 13.511 -11.919 494 HG23 THR 66 3HG2 THR 66 -3.003 14.391 -10.443 495 H SER 67 H SER 67 -0.636 12.006 -13.361 496 HA SER 67 HA SER 67 1.790 13.342 -13.037 497 HB2 SER 67 1HB SER 67 1.605 13.942 -15.385 498 HB3 SER 67 2HB SER 67 1.014 12.296 -15.158 499 HG SER 67 HG SER 67 -0.309 14.520 -16.024 500 H GLY 68 H GLY 68 2.200 15.262 -12.179 501 HA2 GLY 68 1HA GLY 68 1.824 17.705 -12.625 502 HA3 GLY 68 2HA GLY 68 0.120 17.351 -12.378 503 HA PRO 69 HA PRO 69 2.593 18.205 -8.327 504 HB2 PRO 69 1HB PRO 69 2.456 20.912 -8.169 505 HB3 PRO 69 2HB PRO 69 3.816 20.060 -8.912 506 HG2 PRO 69 1HG PRO 69 1.458 21.365 -10.216 507 HG3 PRO 69 2HG PRO 69 3.167 21.414 -10.688 508 HD2 PRO 69 1HD PRO 69 1.366 19.795 -11.900 509 HD3 PRO 69 2HD PRO 69 3.074 19.349 -11.708 510 H SER 70 H SER 70 -0.305 19.385 -9.829 511 HA SER 70 HA SER 70 -2.331 20.070 -8.994 512 HB2 SER 70 1HB SER 70 -2.271 17.560 -8.709 513 HB3 SER 70 2HB SER 70 -1.835 17.832 -7.022 514 HG SER 70 HG SER 70 -4.139 18.975 -8.202 515 H SER 71 H SER 71 -0.296 21.659 -7.964 516 HA SER 71 HA SER 71 -1.301 22.193 -5.247 517 HB2 SER 71 1HB SER 71 1.517 22.164 -6.275 518 HB3 SER 71 2HB SER 71 1.084 23.231 -4.940 519 HG SER 71 HG SER 71 0.314 20.540 -4.828 520 H GLY 72 H GLY 72 -1.691 24.317 -4.706 521 HA2 GLY 72 1HA GLY 72 -0.814 26.569 -6.133 522 HA3 GLY 72 2HA GLY 72 -2.376 26.089 -6.779 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -0.274 29.944 7.229 2 HA2 GLY 1 1HA GLY 1 1.379 31.661 7.979 3 HA3 GLY 1 2HA GLY 1 1.743 30.062 8.612 4 H SER 2 H SER 2 3.717 29.285 8.263 5 HA SER 2 HA SER 2 5.496 30.774 6.498 6 HB2 SER 2 1HB SER 2 6.339 30.351 8.724 7 HB3 SER 2 2HB SER 2 6.030 28.622 8.559 8 HG SER 2 HG SER 2 7.759 30.007 6.804 9 H SER 3 H SER 3 6.984 29.626 5.073 10 HA SER 3 HA SER 3 5.627 27.857 3.341 11 HB2 SER 3 1HB SER 3 7.440 29.419 2.635 12 HB3 SER 3 2HB SER 3 8.605 28.391 3.468 13 HG SER 3 HG SER 3 8.265 26.802 2.009 14 H GLY 4 H GLY 4 6.468 25.705 2.664 15 HA2 GLY 4 1HA GLY 4 8.107 24.129 4.323 16 HA3 GLY 4 2HA GLY 4 6.433 23.898 4.807 17 H SER 5 H SER 5 7.478 21.671 4.051 18 HA SER 5 HA SER 5 6.355 21.195 1.390 19 HB2 SER 5 1HB SER 5 9.067 20.165 2.258 20 HB3 SER 5 2HB SER 5 8.262 19.808 0.730 21 HG SER 5 HG SER 5 8.253 22.321 0.689 22 H SER 6 H SER 6 4.994 19.537 1.427 23 HA SER 6 HA SER 6 5.465 17.312 3.266 24 HB2 SER 6 1HB SER 6 3.967 18.639 4.562 25 HB3 SER 6 2HB SER 6 2.951 18.984 3.162 26 HG SER 6 HG SER 6 3.305 16.309 3.833 27 H GLY 7 H GLY 7 4.770 15.345 2.523 28 HA2 GLY 7 1HA GLY 7 3.666 15.349 -0.213 29 HA3 GLY 7 2HA GLY 7 4.707 14.094 0.443 30 H GLU 8 H GLU 8 1.496 15.166 0.002 31 HA GLU 8 HA GLU 8 0.106 13.827 1.996 32 HB2 GLU 8 1HB GLU 8 -0.560 14.626 -0.810 33 HB3 GLU 8 2HB GLU 8 -1.684 13.611 0.082 34 HG2 GLU 8 1HG GLU 8 -1.781 15.307 1.856 35 HG3 GLU 8 2HG GLU 8 -0.701 16.331 0.912 36 HA PRO 9 HA PRO 9 0.435 9.527 1.198 37 HB2 PRO 9 1HB PRO 9 -2.066 8.650 1.784 38 HB3 PRO 9 2HB PRO 9 -0.924 9.190 3.020 39 HG2 PRO 9 1HG PRO 9 -3.198 10.676 1.763 40 HG3 PRO 9 2HG PRO 9 -2.707 10.615 3.466 41 HD2 PRO 9 1HD PRO 9 -2.086 12.693 1.845 42 HD3 PRO 9 2HD PRO 9 -1.027 12.164 3.167 43 H ILE 10 H ILE 10 -0.012 7.902 -0.303 44 HA ILE 10 HA ILE 10 -1.512 8.804 -2.660 45 HB ILE 10 HB ILE 10 0.514 6.574 -2.450 46 HG12 ILE 10 1HG1 ILE 10 0.893 9.227 -3.827 47 HG13 ILE 10 2HG1 ILE 10 1.314 8.998 -2.134 48 HG21 ILE 10 1HG2 ILE 10 -0.587 5.930 -4.314 49 HG22 ILE 10 2HG2 ILE 10 -1.262 7.533 -4.600 50 HG23 ILE 10 3HG2 ILE 10 0.403 7.182 -5.063 51 HD11 ILE 10 1HD1 ILE 10 2.445 6.896 -3.715 52 HD12 ILE 10 2HD1 ILE 10 2.889 8.469 -4.378 53 HD13 ILE 10 3HD1 ILE 10 3.247 8.089 -2.693 54 H GLU 11 H GLU 11 -3.458 7.976 -2.995 55 HA GLU 11 HA GLU 11 -4.415 5.733 -1.484 56 HB2 GLU 11 1HB GLU 11 -5.583 7.635 -3.463 57 HB3 GLU 11 2HB GLU 11 -6.418 6.114 -3.179 58 HG2 GLU 11 1HG GLU 11 -6.959 6.651 -1.018 59 HG3 GLU 11 2HG GLU 11 -5.609 7.772 -0.845 60 H ALA 12 H ALA 12 -3.660 3.774 -2.009 61 HA ALA 12 HA ALA 12 -3.501 3.040 -4.852 62 HB1 ALA 12 1HB ALA 12 -2.326 0.994 -3.396 63 HB2 ALA 12 2HB ALA 12 -1.492 2.282 -4.267 64 HB3 ALA 12 3HB ALA 12 -1.845 2.465 -2.549 65 H ILE 13 H ILE 13 -3.953 0.645 -5.253 66 HA ILE 13 HA ILE 13 -6.225 -0.277 -3.628 67 HB ILE 13 HB ILE 13 -6.119 -0.302 -6.647 68 HG12 ILE 13 1HG1 ILE 13 -6.568 1.932 -5.689 69 HG13 ILE 13 2HG1 ILE 13 -7.967 1.286 -6.540 70 HG21 ILE 13 1HG2 ILE 13 -7.654 -1.828 -4.734 71 HG22 ILE 13 2HG2 ILE 13 -8.699 -0.873 -5.786 72 HG23 ILE 13 3HG2 ILE 13 -7.541 -2.005 -6.485 73 HD11 ILE 13 1HD1 ILE 13 -7.698 2.104 -3.792 74 HD12 ILE 13 2HD1 ILE 13 -9.150 1.764 -4.733 75 HD13 ILE 13 3HD1 ILE 13 -8.301 0.452 -3.916 76 H ALA 14 H ALA 14 -6.102 -2.345 -3.035 77 HA ALA 14 HA ALA 14 -3.880 -3.930 -3.353 78 HB1 ALA 14 1HB ALA 14 -6.134 -5.653 -3.118 79 HB2 ALA 14 2HB ALA 14 -4.984 -5.159 -1.875 80 HB3 ALA 14 3HB ALA 14 -6.433 -4.197 -2.168 81 H LYS 15 H LYS 15 -3.034 -5.042 -4.982 82 HA LYS 15 HA LYS 15 -4.448 -5.252 -7.486 83 HB2 LYS 15 1HB LYS 15 -1.871 -4.855 -6.976 84 HB3 LYS 15 2HB LYS 15 -1.832 -6.613 -7.036 85 HG2 LYS 15 1HG LYS 15 -2.449 -6.675 -9.276 86 HG3 LYS 15 2HG LYS 15 -3.085 -5.028 -9.245 87 HD2 LYS 15 1HD LYS 15 -1.102 -4.642 -10.308 88 HD3 LYS 15 2HD LYS 15 -0.568 -4.463 -8.634 89 HE2 LYS 15 1HE LYS 15 1.037 -5.890 -9.434 90 HE3 LYS 15 2HE LYS 15 -0.147 -7.048 -8.830 91 HZ1 LYS 15 1HZ LYS 15 -1.048 -6.829 -11.265 92 HZ2 LYS 15 2HZ LYS 15 0.226 -7.880 -10.900 93 HZ3 LYS 15 3HZ LYS 15 0.548 -6.370 -11.593 94 H PHE 16 H PHE 16 -3.521 -7.375 -4.862 95 HA PHE 16 HA PHE 16 -5.380 -9.374 -5.751 96 HB2 PHE 16 1HB PHE 16 -2.446 -10.104 -5.642 97 HB3 PHE 16 2HB PHE 16 -3.782 -11.205 -5.965 98 HD1 PHE 16 2HD PHE 16 -5.217 -10.722 -8.038 99 HD2 PHE 16 1HD PHE 16 -1.368 -9.025 -7.384 100 HE1 PHE 16 2HE PHE 16 -5.017 -10.256 -10.445 101 HE2 PHE 16 1HE PHE 16 -1.163 -8.555 -9.791 102 HZ PHE 16 HZ PHE 16 -2.989 -9.172 -11.325 103 H ASP 17 H ASP 17 -6.008 -10.743 -4.114 104 HA ASP 17 HA ASP 17 -5.923 -9.952 -1.517 105 HB2 ASP 17 1HB ASP 17 -6.268 -12.472 -0.982 106 HB3 ASP 17 2HB ASP 17 -7.465 -11.639 -1.969 107 H TYR 18 H TYR 18 -4.199 -9.480 -0.323 108 HA TYR 18 HA TYR 18 -1.948 -11.383 -0.312 109 HB2 TYR 18 1HB TYR 18 -1.438 -9.122 -1.280 110 HB3 TYR 18 2HB TYR 18 -1.795 -8.426 0.297 111 HD1 TYR 18 1HD TYR 18 0.464 -10.793 -1.457 112 HD2 TYR 18 2HD TYR 18 -0.156 -8.366 1.982 113 HE1 TYR 18 1HE TYR 18 2.790 -11.192 -0.763 114 HE2 TYR 18 2HE TYR 18 2.168 -8.758 2.685 115 HH TYR 18 HH TYR 18 4.225 -11.055 1.032 116 H VAL 19 H VAL 19 -0.957 -11.849 1.671 117 HA VAL 19 HA VAL 19 -2.379 -10.927 4.076 118 HB VAL 19 HB VAL 19 -3.231 -13.145 3.590 119 HG11 VAL 19 1HG1 VAL 19 -0.570 -13.635 2.738 120 HG12 VAL 19 2HG1 VAL 19 -0.951 -14.779 4.027 121 HG13 VAL 19 3HG1 VAL 19 -1.980 -14.684 2.597 122 HG21 VAL 19 1HG2 VAL 19 -2.055 -14.321 5.686 123 HG22 VAL 19 2HG2 VAL 19 -1.504 -12.666 5.944 124 HG23 VAL 19 3HG2 VAL 19 -3.230 -13.016 5.854 125 H GLY 20 H GLY 20 -0.965 -9.886 5.311 126 HA2 GLY 20 1HA GLY 20 1.817 -9.975 5.027 127 HA3 GLY 20 2HA GLY 20 0.964 -9.344 6.428 128 H ARG 21 H ARG 21 2.964 -11.800 5.248 129 HA ARG 21 HA ARG 21 2.356 -13.989 6.839 130 HB2 ARG 21 1HB ARG 21 5.033 -12.977 5.872 131 HB3 ARG 21 2HB ARG 21 4.805 -14.539 6.646 132 HG2 ARG 21 1HG ARG 21 3.392 -15.287 4.862 133 HG3 ARG 21 2HG ARG 21 3.401 -13.682 4.127 134 HD2 ARG 21 1HD ARG 21 5.654 -13.865 3.495 135 HD3 ARG 21 2HD ARG 21 5.935 -15.226 4.580 136 HE ARG 21 HE ARG 21 5.076 -16.647 2.985 137 HH11 ARG 21 2HH1 ARG 21 4.452 -13.342 2.086 138 HH12 ARG 21 1HH1 ARG 21 3.926 -13.740 0.484 139 HH21 ARG 21 2HH2 ARG 21 4.386 -17.184 0.878 140 HH22 ARG 21 1HH2 ARG 21 3.888 -15.926 -0.202 141 H THR 22 H THR 22 4.022 -11.018 7.645 142 HA THR 22 HA THR 22 4.245 -11.957 10.431 143 HB THR 22 HB THR 22 6.160 -10.482 10.738 144 HG1 THR 22 1HG THR 22 5.337 -9.533 8.298 145 HG21 THR 22 1HG2 THR 22 7.659 -11.953 9.890 146 HG22 THR 22 2HG2 THR 22 6.990 -11.859 8.262 147 HG23 THR 22 3HG2 THR 22 6.210 -12.868 9.479 148 H ALA 23 H ALA 23 4.357 -10.040 11.999 149 HA ALA 23 HA ALA 23 1.950 -8.659 11.964 150 HB1 ALA 23 1HB ALA 23 3.586 -9.099 13.906 151 HB2 ALA 23 2HB ALA 23 4.338 -7.581 13.414 152 HB3 ALA 23 3HB ALA 23 2.647 -7.606 13.914 153 H ARG 24 H ARG 24 5.189 -7.514 11.058 154 HA ARG 24 HA ARG 24 4.652 -4.864 10.554 155 HB2 ARG 24 1HB ARG 24 6.539 -6.811 9.259 156 HB3 ARG 24 2HB ARG 24 6.443 -5.146 8.700 157 HG2 ARG 24 1HG ARG 24 6.781 -4.593 11.235 158 HG3 ARG 24 2HG ARG 24 7.452 -6.225 11.284 159 HD2 ARG 24 1HD ARG 24 8.882 -5.511 9.296 160 HD3 ARG 24 2HD ARG 24 8.389 -3.862 9.681 161 HE ARG 24 HE ARG 24 10.240 -5.517 11.153 162 HH11 ARG 24 2HH1 ARG 24 8.141 -2.740 11.235 163 HH12 ARG 24 1HH1 ARG 24 8.976 -1.985 12.552 164 HH21 ARG 24 2HH2 ARG 24 11.347 -4.533 12.887 165 HH22 ARG 24 1HH2 ARG 24 10.800 -3.005 13.491 166 H GLU 25 H GLU 25 4.407 -7.555 8.228 167 HA GLU 25 HA GLU 25 3.361 -5.982 6.126 168 HB2 GLU 25 1HB GLU 25 3.176 -8.957 6.628 169 HB3 GLU 25 2HB GLU 25 2.707 -8.170 5.128 170 HG2 GLU 25 1HG GLU 25 4.904 -7.615 4.589 171 HG3 GLU 25 2HG GLU 25 5.467 -7.858 6.241 172 H LEU 26 H LEU 26 1.268 -5.681 5.402 173 HA LEU 26 HA LEU 26 -0.820 -6.191 7.407 174 HB2 LEU 26 1HB LEU 26 -0.911 -4.230 5.125 175 HB3 LEU 26 2HB LEU 26 -2.019 -4.337 6.492 176 HG LEU 26 HG LEU 26 0.891 -3.598 6.759 177 HD11 LEU 26 1HD1 LEU 26 0.272 -1.315 6.800 178 HD12 LEU 26 2HD1 LEU 26 -1.447 -1.707 6.767 179 HD13 LEU 26 3HD1 LEU 26 -0.449 -2.003 5.344 180 HD21 LEU 26 1HD2 LEU 26 0.362 -2.971 8.961 181 HD22 LEU 26 2HD2 LEU 26 -0.413 -4.538 8.730 182 HD23 LEU 26 3HD2 LEU 26 -1.373 -3.060 8.659 183 H SER 27 H SER 27 -2.524 -7.444 6.942 184 HA SER 27 HA SER 27 -2.566 -8.792 4.369 185 HB2 SER 27 1HB SER 27 -2.889 -10.355 6.052 186 HB3 SER 27 2HB SER 27 -3.858 -9.254 7.031 187 HG SER 27 HG SER 27 -5.558 -9.529 5.562 188 H PHE 28 H PHE 28 -3.991 -8.439 2.782 189 HA PHE 28 HA PHE 28 -6.485 -7.038 3.331 190 HB2 PHE 28 1HB PHE 28 -6.005 -5.504 1.341 191 HB3 PHE 28 2HB PHE 28 -5.156 -5.148 2.841 192 HD1 PHE 28 1HD PHE 28 -4.795 -6.693 -0.495 193 HD2 PHE 28 2HD PHE 28 -2.807 -5.163 2.943 194 HE1 PHE 28 1HE PHE 28 -2.649 -6.798 -1.694 195 HE2 PHE 28 2HE PHE 28 -0.658 -5.265 1.750 196 HZ PHE 28 HZ PHE 28 -0.577 -6.082 -0.572 197 H LYS 29 H LYS 29 -7.792 -6.850 1.222 198 HA LYS 29 HA LYS 29 -7.409 -9.325 -0.334 199 HB2 LYS 29 1HB LYS 29 -9.977 -7.955 0.483 200 HB3 LYS 29 2HB LYS 29 -9.890 -9.320 -0.623 201 HG2 LYS 29 1HG LYS 29 -8.719 -9.519 2.120 202 HG3 LYS 29 2HG LYS 29 -10.451 -9.737 1.860 203 HD2 LYS 29 1HD LYS 29 -8.573 -11.233 0.106 204 HD3 LYS 29 2HD LYS 29 -8.757 -11.773 1.777 205 HE2 LYS 29 1HE LYS 29 -10.417 -12.992 0.792 206 HE3 LYS 29 2HE LYS 29 -11.322 -11.535 1.201 207 HZ1 LYS 29 1HZ LYS 29 -11.198 -10.773 -1.005 208 HZ2 LYS 29 2HZ LYS 29 -11.617 -12.407 -1.123 209 HZ3 LYS 29 3HZ LYS 29 -10.029 -11.917 -1.436 210 H LYS 30 H LYS 30 -7.911 -9.284 -2.552 211 HA LYS 30 HA LYS 30 -7.032 -7.179 -4.041 212 HB2 LYS 30 1HB LYS 30 -7.466 -9.424 -4.950 213 HB3 LYS 30 2HB LYS 30 -9.197 -9.133 -4.841 214 HG2 LYS 30 1HG LYS 30 -9.189 -7.625 -6.595 215 HG3 LYS 30 2HG LYS 30 -7.461 -7.300 -6.439 216 HD2 LYS 30 1HD LYS 30 -6.876 -9.338 -7.446 217 HD3 LYS 30 2HD LYS 30 -8.493 -10.010 -7.223 218 HE2 LYS 30 1HE LYS 30 -8.043 -7.592 -8.937 219 HE3 LYS 30 2HE LYS 30 -7.788 -9.215 -9.575 220 HZ1 LYS 30 1HZ LYS 30 -10.183 -7.848 -9.376 221 HZ2 LYS 30 2HZ LYS 30 -10.265 -9.077 -8.218 222 HZ3 LYS 30 3HZ LYS 30 -9.960 -9.461 -9.837 223 H GLY 31 H GLY 31 -7.731 -5.197 -4.506 224 HA2 GLY 31 1HA GLY 31 -9.370 -3.632 -5.212 225 HA3 GLY 31 2HA GLY 31 -10.613 -4.655 -4.507 226 H ALA 32 H ALA 32 -9.221 -4.995 -1.979 227 HA ALA 32 HA ALA 32 -10.365 -3.062 -0.431 228 HB1 ALA 32 1HB ALA 32 -9.377 -5.120 0.457 229 HB2 ALA 32 2HB ALA 32 -7.764 -4.467 0.166 230 HB3 ALA 32 3HB ALA 32 -8.827 -3.698 1.344 231 H SER 33 H SER 33 -10.037 -0.971 -0.036 232 HA SER 33 HA SER 33 -8.042 0.490 -1.432 233 HB2 SER 33 1HB SER 33 -10.185 1.519 -0.952 234 HB3 SER 33 2HB SER 33 -9.929 1.327 0.783 235 HG SER 33 HG SER 33 -8.170 2.819 -0.856 236 H LEU 34 H LEU 34 -6.075 1.164 -0.821 237 HA LEU 34 HA LEU 34 -5.306 0.892 2.002 238 HB2 LEU 34 1HB LEU 34 -3.555 0.083 -0.311 239 HB3 LEU 34 2HB LEU 34 -3.197 -0.086 1.407 240 HG LEU 34 HG LEU 34 -5.539 -1.517 0.211 241 HD11 LEU 34 1HD1 LEU 34 -3.252 -1.870 -1.031 242 HD12 LEU 34 2HD1 LEU 34 -4.292 -3.237 -0.637 243 HD13 LEU 34 3HD1 LEU 34 -2.895 -2.872 0.375 244 HD21 LEU 34 1HD2 LEU 34 -4.983 -1.311 2.720 245 HD22 LEU 34 2HD2 LEU 34 -3.687 -2.455 2.371 246 HD23 LEU 34 3HD2 LEU 34 -5.366 -2.905 2.067 247 H LEU 35 H LEU 35 -4.056 2.505 2.795 248 HA LEU 35 HA LEU 35 -3.500 4.740 0.990 249 HB2 LEU 35 1HB LEU 35 -4.742 4.796 3.325 250 HB3 LEU 35 2HB LEU 35 -3.092 4.923 3.930 251 HG LEU 35 HG LEU 35 -2.849 6.917 2.352 252 HD11 LEU 35 1HD1 LEU 35 -4.853 6.433 1.008 253 HD12 LEU 35 2HD1 LEU 35 -4.888 8.050 1.712 254 HD13 LEU 35 3HD1 LEU 35 -5.859 6.759 2.420 255 HD21 LEU 35 1HD2 LEU 35 -3.608 6.706 4.973 256 HD22 LEU 35 2HD2 LEU 35 -4.870 7.736 4.296 257 HD23 LEU 35 3HD2 LEU 35 -3.176 8.206 4.150 258 H LEU 36 H LEU 36 -1.480 5.634 0.741 259 HA LEU 36 HA LEU 36 0.757 4.106 1.901 260 HB2 LEU 36 1HB LEU 36 0.661 5.494 -0.773 261 HB3 LEU 36 2HB LEU 36 2.029 4.597 -0.117 262 HG LEU 36 HG LEU 36 -0.618 3.493 -1.040 263 HD11 LEU 36 1HD1 LEU 36 1.156 2.099 -2.384 264 HD12 LEU 36 2HD1 LEU 36 2.169 3.510 -2.081 265 HD13 LEU 36 3HD1 LEU 36 0.640 3.691 -2.939 266 HD21 LEU 36 1HD2 LEU 36 0.712 1.287 -0.507 267 HD22 LEU 36 2HD2 LEU 36 -0.246 2.095 0.733 268 HD23 LEU 36 3HD2 LEU 36 1.503 2.317 0.685 269 H TYR 37 H TYR 37 2.378 5.211 2.866 270 HA TYR 37 HA TYR 37 2.108 8.141 2.959 271 HB2 TYR 37 1HB TYR 37 3.349 6.266 4.983 272 HB3 TYR 37 2HB TYR 37 3.261 8.017 5.138 273 HD1 TYR 37 1HD TYR 37 0.560 8.666 4.345 274 HD2 TYR 37 2HD TYR 37 1.968 5.337 6.590 275 HE1 TYR 37 1HE TYR 37 -1.645 8.463 5.417 276 HE2 TYR 37 2HE TYR 37 -0.233 5.125 7.668 277 HH TYR 37 HH TYR 37 -2.423 7.385 7.834 278 H GLN 38 H GLN 38 4.523 5.531 2.970 279 HA GLN 38 HA GLN 38 6.265 7.138 1.300 280 HB2 GLN 38 1HB GLN 38 6.846 6.502 4.150 281 HB3 GLN 38 2HB GLN 38 8.176 6.407 3.004 282 HG2 GLN 38 1HG GLN 38 6.427 8.833 3.196 283 HG3 GLN 38 2HG GLN 38 7.828 8.604 4.241 284 HE21 GLN 38 1HE2 GLN 38 9.268 10.023 3.515 285 HE22 GLN 38 2HE2 GLN 38 9.817 10.145 1.882 286 H ARG 39 H ARG 39 7.833 5.928 0.195 287 HA ARG 39 HA ARG 39 7.167 3.128 -0.075 288 HB2 ARG 39 1HB ARG 39 7.545 4.421 -2.090 289 HB3 ARG 39 2HB ARG 39 9.150 4.876 -1.537 290 HG2 ARG 39 1HG ARG 39 9.708 3.197 -2.957 291 HG3 ARG 39 2HG ARG 39 9.484 2.256 -1.482 292 HD2 ARG 39 1HD ARG 39 7.383 1.479 -2.161 293 HD3 ARG 39 2HD ARG 39 7.224 2.727 -3.396 294 HE ARG 39 HE ARG 39 8.588 0.203 -3.640 295 HH11 ARG 39 2HH1 ARG 39 8.292 3.446 -4.872 296 HH12 ARG 39 1HH1 ARG 39 8.932 3.051 -6.433 297 HH21 ARG 39 2HH2 ARG 39 9.433 -0.329 -5.691 298 HH22 ARG 39 1HH2 ARG 39 9.580 0.903 -6.898 299 H ALA 40 H ALA 40 7.925 1.956 1.617 300 HA ALA 40 HA ALA 40 10.276 2.342 3.039 301 HB1 ALA 40 1HB ALA 40 8.453 0.037 2.614 302 HB2 ALA 40 2HB ALA 40 10.023 -0.275 3.355 303 HB3 ALA 40 3HB ALA 40 8.905 0.865 4.104 304 H SER 41 H SER 41 9.705 0.324 0.175 305 HA SER 41 HA SER 41 12.462 0.586 -0.615 306 HB2 SER 41 1HB SER 41 11.366 -2.126 0.163 307 HB3 SER 41 2HB SER 41 12.873 -1.871 -0.717 308 HG SER 41 HG SER 41 13.785 -1.531 1.132 309 H ASP 42 H ASP 42 12.795 -1.023 -2.607 310 HA ASP 42 HA ASP 42 10.982 -0.158 -4.592 311 HB2 ASP 42 1HB ASP 42 13.302 -0.635 -5.137 312 HB3 ASP 42 2HB ASP 42 13.092 -2.322 -4.678 313 H ASP 43 H ASP 43 10.958 -2.838 -2.461 314 HA ASP 43 HA ASP 43 8.665 -3.968 -3.922 315 HB2 ASP 43 1HB ASP 43 11.067 -5.330 -2.806 316 HB3 ASP 43 2HB ASP 43 9.519 -6.159 -2.662 317 H TRP 44 H TRP 44 8.805 -2.016 -1.729 318 HA TRP 44 HA TRP 44 6.864 -3.266 -0.004 319 HB2 TRP 44 1HB TRP 44 9.555 -2.399 1.056 320 HB3 TRP 44 2HB TRP 44 8.136 -2.574 2.086 321 HD1 TRP 44 HD TRP 44 11.030 -4.479 0.934 322 HE1 TRP 44 1HE TRP 44 10.709 -7.000 1.343 323 HE3 TRP 44 3HE TRP 44 6.008 -4.512 1.893 324 HZ2 TRP 44 2HZ TRP 44 8.605 -8.769 1.986 325 HZ3 TRP 44 3HZ TRP 44 4.918 -6.660 2.396 326 HH2 TRP 44 HH TRP 44 6.191 -8.743 2.440 327 H TRP 45 H TRP 45 5.873 -1.707 1.494 328 HA TRP 45 HA TRP 45 6.364 1.102 0.846 329 HB2 TRP 45 1HB TRP 45 3.840 -0.413 0.308 330 HB3 TRP 45 2HB TRP 45 3.737 1.280 0.782 331 HD1 TRP 45 HD TRP 45 5.072 -0.950 -2.051 332 HE1 TRP 45 1HE TRP 45 5.378 0.505 -4.152 333 HE3 TRP 45 3HE TRP 45 4.092 3.636 -0.014 334 HZ2 TRP 45 2HZ TRP 45 5.226 3.235 -4.853 335 HZ3 TRP 45 3HZ TRP 45 4.193 5.618 -1.468 336 HH2 TRP 45 HH TRP 45 4.749 5.420 -3.837 337 H GLU 46 H GLU 46 5.083 2.569 2.304 338 HA GLU 46 HA GLU 46 4.632 1.316 4.931 339 HB2 GLU 46 1HB GLU 46 5.988 3.969 4.413 340 HB3 GLU 46 2HB GLU 46 5.628 3.295 5.996 341 HG2 GLU 46 1HG GLU 46 7.046 1.273 5.066 342 HG3 GLU 46 2HG GLU 46 7.724 2.536 4.041 343 H GLY 47 H GLY 47 2.439 1.366 4.973 344 HA2 GLY 47 1HA GLY 47 1.212 4.037 4.988 345 HA3 GLY 47 2HA GLY 47 0.511 2.788 3.969 346 H ARG 48 H ARG 48 -1.456 2.964 5.133 347 HA ARG 48 HA ARG 48 -1.400 1.487 7.669 348 HB2 ARG 48 1HB ARG 48 -1.641 3.819 8.283 349 HB3 ARG 48 2HB ARG 48 -2.952 4.022 7.129 350 HG2 ARG 48 1HG ARG 48 -4.075 2.121 8.541 351 HG3 ARG 48 2HG ARG 48 -2.951 2.677 9.782 352 HD2 ARG 48 1HD ARG 48 -4.746 4.024 10.229 353 HD3 ARG 48 2HD ARG 48 -3.868 5.041 9.087 354 HE ARG 48 HE ARG 48 -5.619 3.481 7.605 355 HH11 ARG 48 2HH1 ARG 48 -5.790 5.937 10.067 356 HH12 ARG 48 1HH1 ARG 48 -7.320 6.549 9.534 357 HH21 ARG 48 2HH2 ARG 48 -7.634 4.279 6.893 358 HH22 ARG 48 1HH2 ARG 48 -8.369 5.605 7.729 359 H HIS 49 H HIS 49 -2.961 -0.028 7.885 360 HA HIS 49 HA HIS 49 -5.110 -0.081 5.875 361 HB2 HIS 49 1HB HIS 49 -3.539 -1.722 5.138 362 HB3 HIS 49 2HB HIS 49 -3.342 -2.359 6.768 363 HD1 HIS 49 1HD HIS 49 -4.824 -4.260 7.418 364 HD2 HIS 49 2HD HIS 49 -6.153 -2.319 3.994 365 HE1 HIS 49 1HE HIS 49 -6.727 -5.656 6.549 366 HE2 HIS 49 2HE HIS 49 -7.459 -4.508 4.430 367 H ASN 50 H ASN 50 -7.059 -0.123 6.764 368 HA ASN 50 HA ASN 50 -8.693 -0.196 8.358 369 HB2 ASN 50 1HB ASN 50 -7.284 -2.838 8.647 370 HB3 ASN 50 2HB ASN 50 -8.679 -2.442 9.647 371 HD21 ASN 50 1HD2 ASN 50 -9.307 -4.474 8.388 372 HD22 ASN 50 2HD2 ASN 50 -10.180 -4.207 6.921 373 H GLY 51 H GLY 51 -6.444 1.306 9.156 374 HA2 GLY 51 1HA GLY 51 -5.820 2.420 11.081 375 HA3 GLY 51 2HA GLY 51 -6.888 1.361 11.989 376 H ILE 52 H ILE 52 -4.270 0.286 9.900 377 HA ILE 52 HA ILE 52 -2.660 -0.394 12.254 378 HB ILE 52 HB ILE 52 -3.267 -2.376 10.058 379 HG12 ILE 52 1HG1 ILE 52 -4.194 -2.419 12.936 380 HG13 ILE 52 2HG1 ILE 52 -5.200 -1.909 11.585 381 HG21 ILE 52 1HG2 ILE 52 -1.161 -2.209 11.943 382 HG22 ILE 52 2HG2 ILE 52 -2.204 -3.548 12.419 383 HG23 ILE 52 3HG2 ILE 52 -1.508 -3.505 10.799 384 HD11 ILE 52 1HD1 ILE 52 -4.973 -4.462 12.601 385 HD12 ILE 52 2HD1 ILE 52 -5.697 -4.004 11.059 386 HD13 ILE 52 3HD1 ILE 52 -4.007 -4.504 11.126 387 H ASP 53 H ASP 53 -0.691 0.391 11.966 388 HA ASP 53 HA ASP 53 0.256 1.064 9.312 389 HB2 ASP 53 1HB ASP 53 1.907 2.350 10.361 390 HB3 ASP 53 2HB ASP 53 0.533 2.481 11.456 391 H GLY 54 H GLY 54 1.685 -0.059 8.137 392 HA2 GLY 54 1HA GLY 54 3.635 -1.801 9.303 393 HA3 GLY 54 2HA GLY 54 2.306 -2.697 8.581 394 H LEU 55 H LEU 55 3.554 -3.620 6.968 395 HA LEU 55 HA LEU 55 4.684 -1.751 4.992 396 HB2 LEU 55 1HB LEU 55 5.395 -4.588 5.686 397 HB3 LEU 55 2HB LEU 55 5.950 -3.807 4.207 398 HG LEU 55 HG LEU 55 6.546 -2.752 6.966 399 HD11 LEU 55 1HD1 LEU 55 7.976 -4.766 5.283 400 HD12 LEU 55 2HD1 LEU 55 7.663 -4.775 7.018 401 HD13 LEU 55 3HD1 LEU 55 8.880 -3.690 6.349 402 HD21 LEU 55 1HD2 LEU 55 8.118 -1.352 5.900 403 HD22 LEU 55 2HD2 LEU 55 6.637 -1.223 4.950 404 HD23 LEU 55 3HD2 LEU 55 7.972 -2.221 4.372 405 H ILE 56 H ILE 56 4.264 -2.073 2.794 406 HA ILE 56 HA ILE 56 2.154 -4.017 2.148 407 HB ILE 56 HB ILE 56 2.219 -1.120 1.298 408 HG12 ILE 56 1HG1 ILE 56 -0.030 -2.539 2.700 409 HG13 ILE 56 2HG1 ILE 56 1.313 -1.862 3.615 410 HG21 ILE 56 1HG2 ILE 56 0.973 -1.623 -0.468 411 HG22 ILE 56 2HG2 ILE 56 1.257 -3.330 -0.133 412 HG23 ILE 56 3HG2 ILE 56 -0.162 -2.526 0.536 413 HD11 ILE 56 1HD1 ILE 56 0.390 0.112 1.798 414 HD12 ILE 56 2HD1 ILE 56 -0.998 -0.559 2.656 415 HD13 ILE 56 3HD1 ILE 56 0.353 0.123 3.561 416 HA PRO 57 HA PRO 57 5.054 -5.040 -1.054 417 HB2 PRO 57 1HB PRO 57 3.476 -6.844 -2.329 418 HB3 PRO 57 2HB PRO 57 4.311 -7.201 -0.812 419 HG2 PRO 57 1HG PRO 57 1.460 -6.410 -1.264 420 HG3 PRO 57 2HG PRO 57 2.119 -7.652 -0.183 421 HD2 PRO 57 1HD PRO 57 1.354 -5.209 0.700 422 HD3 PRO 57 2HD PRO 57 2.689 -6.117 1.439 423 H HIS 58 H HIS 58 5.445 -4.292 -3.070 424 HA HIS 58 HA HIS 58 3.460 -2.577 -4.290 425 HB2 HIS 58 1HB HIS 58 5.842 -1.899 -4.135 426 HB3 HIS 58 2HB HIS 58 6.268 -3.227 -5.210 427 HD2 HIS 58 2HD HIS 58 5.307 -2.897 -7.905 428 HE1 HIS 58 1HE HIS 58 4.696 1.277 -7.458 429 HE2 HIS 58 2HE HIS 58 4.773 -0.653 -9.074 430 H GLN 59 H GLN 59 4.049 -5.808 -4.410 431 HA GLN 59 HA GLN 59 3.541 -6.129 -7.263 432 HB2 GLN 59 1HB GLN 59 4.166 -8.073 -5.047 433 HB3 GLN 59 2HB GLN 59 3.688 -8.602 -6.655 434 HG2 GLN 59 1HG GLN 59 6.148 -7.080 -5.859 435 HG3 GLN 59 2HG GLN 59 6.040 -8.680 -6.590 436 HE21 GLN 59 1HE2 GLN 59 7.379 -6.118 -7.394 437 HE22 GLN 59 2HE2 GLN 59 6.858 -5.848 -9.019 438 H TYR 60 H TYR 60 1.906 -6.318 -4.208 439 HA TYR 60 HA TYR 60 -0.484 -7.415 -5.527 440 HB2 TYR 60 1HB TYR 60 0.241 -7.266 -2.594 441 HB3 TYR 60 2HB TYR 60 -1.292 -7.870 -3.213 442 HD1 TYR 60 2HD TYR 60 2.377 -8.469 -3.346 443 HD2 TYR 60 1HD TYR 60 -1.517 -10.117 -3.821 444 HE1 TYR 60 2HE TYR 60 3.360 -10.712 -3.573 445 HE2 TYR 60 1HE TYR 60 -0.545 -12.364 -4.048 446 HH TYR 60 HH TYR 60 2.443 -13.176 -3.128 447 H ILE 61 H ILE 61 0.380 -4.659 -5.791 448 HA ILE 61 HA ILE 61 -2.108 -3.389 -5.119 449 HB ILE 61 HB ILE 61 -1.207 -1.567 -3.803 450 HG12 ILE 61 1HG1 ILE 61 1.225 -2.144 -2.854 451 HG13 ILE 61 2HG1 ILE 61 1.374 -2.909 -4.432 452 HG21 ILE 61 1HG2 ILE 61 -0.766 -2.749 -1.728 453 HG22 ILE 61 2HG2 ILE 61 -2.041 -3.558 -2.637 454 HG23 ILE 61 3HG2 ILE 61 -0.408 -4.225 -2.625 455 HD11 ILE 61 1HD1 ILE 61 0.473 -0.616 -5.296 456 HD12 ILE 61 2HD1 ILE 61 1.067 -0.035 -3.740 457 HD13 ILE 61 3HD1 ILE 61 2.173 -0.814 -4.871 458 H VAL 62 H VAL 62 -2.376 -1.335 -6.142 459 HA VAL 62 HA VAL 62 -0.411 -0.840 -8.284 460 HB VAL 62 HB VAL 62 -3.396 -0.375 -8.352 461 HG11 VAL 62 1HG1 VAL 62 -1.357 0.907 -9.791 462 HG12 VAL 62 2HG1 VAL 62 -2.089 -0.251 -10.903 463 HG13 VAL 62 3HG1 VAL 62 -3.092 0.959 -10.102 464 HG21 VAL 62 1HG2 VAL 62 -2.813 -2.070 -10.398 465 HG22 VAL 62 2HG2 VAL 62 -1.678 -2.611 -9.162 466 HG23 VAL 62 3HG2 VAL 62 -3.406 -2.574 -8.815 467 H VAL 63 H VAL 63 0.781 0.736 -7.253 468 HA VAL 63 HA VAL 63 -0.246 2.868 -5.752 469 HB VAL 63 HB VAL 63 2.313 2.762 -7.356 470 HG11 VAL 63 1HG1 VAL 63 1.099 4.856 -5.745 471 HG12 VAL 63 2HG1 VAL 63 2.715 4.418 -5.189 472 HG13 VAL 63 3HG1 VAL 63 2.465 4.933 -6.857 473 HG21 VAL 63 1HG2 VAL 63 3.305 2.281 -5.091 474 HG22 VAL 63 2HG2 VAL 63 1.660 2.019 -4.511 475 HG23 VAL 63 3HG2 VAL 63 2.324 0.987 -5.778 476 H GLN 64 H GLN 64 -1.684 4.295 -6.475 477 HA GLN 64 HA GLN 64 -1.880 5.022 -9.242 478 HB2 GLN 64 1HB GLN 64 -3.257 6.222 -6.833 479 HB3 GLN 64 2HB GLN 64 -3.702 6.486 -8.513 480 HG2 GLN 64 1HG GLN 64 -3.620 3.695 -7.506 481 HG3 GLN 64 2HG GLN 64 -4.954 4.732 -7.003 482 HE21 GLN 64 1HE2 GLN 64 -4.130 2.475 -9.160 483 HE22 GLN 64 2HE2 GLN 64 -5.146 2.917 -10.485 484 H ASP 65 H ASP 65 0.182 5.924 -9.668 485 HA ASP 65 HA ASP 65 0.673 8.545 -8.420 486 HB2 ASP 65 1HB ASP 65 2.459 6.754 -8.252 487 HB3 ASP 65 2HB ASP 65 2.659 6.905 -9.996 488 H THR 66 H THR 66 -0.445 9.960 -9.660 489 HA THR 66 HA THR 66 -1.052 9.892 -12.317 490 HB THR 66 HB THR 66 -1.844 11.641 -10.745 491 HG1 THR 66 1HG THR 66 -0.652 12.978 -12.926 492 HG21 THR 66 1HG2 THR 66 -0.514 13.215 -9.824 493 HG22 THR 66 2HG2 THR 66 0.456 13.396 -11.286 494 HG23 THR 66 3HG2 THR 66 0.776 12.066 -10.173 495 H SER 67 H SER 67 0.084 9.830 -14.134 496 HA SER 67 HA SER 67 2.922 10.094 -14.139 497 HB2 SER 67 1HB SER 67 2.033 8.524 -15.673 498 HB3 SER 67 2HB SER 67 0.873 9.687 -16.315 499 HG SER 67 HG SER 67 3.631 9.468 -16.789 500 H GLY 68 H GLY 68 3.981 11.957 -14.110 501 HA2 GLY 68 1HA GLY 68 4.532 13.914 -15.527 502 HA3 GLY 68 2HA GLY 68 2.807 14.245 -15.567 503 HA PRO 69 HA PRO 69 5.116 16.137 -11.783 504 HB2 PRO 69 1HB PRO 69 5.952 18.511 -12.799 505 HB3 PRO 69 2HB PRO 69 6.963 17.061 -12.789 506 HG2 PRO 69 1HG PRO 69 5.332 18.218 -15.017 507 HG3 PRO 69 2HG PRO 69 6.972 17.547 -15.063 508 HD2 PRO 69 1HD PRO 69 4.801 16.144 -15.869 509 HD3 PRO 69 2HD PRO 69 6.216 15.371 -15.126 510 H SER 70 H SER 70 3.183 16.501 -10.787 511 HA SER 70 HA SER 70 1.826 19.011 -11.458 512 HB2 SER 70 1HB SER 70 0.683 16.801 -12.344 513 HB3 SER 70 2HB SER 70 0.142 16.666 -10.671 514 HG SER 70 HG SER 70 -0.176 19.089 -12.059 515 H SER 71 H SER 71 1.126 20.167 -9.727 516 HA SER 71 HA SER 71 1.197 18.905 -7.081 517 HB2 SER 71 1HB SER 71 2.560 20.600 -6.128 518 HB3 SER 71 2HB SER 71 3.377 20.123 -7.616 519 HG SER 71 HG SER 71 3.025 22.484 -7.116 520 H GLY 72 H GLY 72 -0.223 19.755 -5.580 521 HA2 GLY 72 1HA GLY 72 -2.543 21.011 -6.584 522 HA3 GLY 72 2HA GLY 72 -2.169 20.756 -4.886 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.836 19.079 13.913 2 HA2 GLY 1 1HA GLY 1 0.363 20.020 11.595 3 HA3 GLY 1 2HA GLY 1 2.091 20.339 11.557 4 H SER 2 H SER 2 0.471 18.643 9.806 5 HA SER 2 HA SER 2 1.867 16.091 10.279 6 HB2 SER 2 1HB SER 2 -0.070 15.009 9.063 7 HB3 SER 2 2HB SER 2 -0.458 15.659 10.656 8 HG SER 2 HG SER 2 -1.851 16.914 9.732 9 H SER 3 H SER 3 0.236 17.979 7.730 10 HA SER 3 HA SER 3 1.842 16.767 5.669 11 HB2 SER 3 1HB SER 3 -0.335 18.828 5.732 12 HB3 SER 3 2HB SER 3 0.661 18.659 4.286 13 HG SER 3 HG SER 3 -1.242 17.345 4.253 14 H GLY 4 H GLY 4 3.972 17.293 5.937 15 HA2 GLY 4 1HA GLY 4 5.143 19.598 6.792 16 HA3 GLY 4 2HA GLY 4 5.846 18.580 5.544 17 H SER 5 H SER 5 5.586 19.133 3.367 18 HA SER 5 HA SER 5 4.593 21.872 2.918 19 HB2 SER 5 1HB SER 5 6.896 20.468 1.542 20 HB3 SER 5 2HB SER 5 6.307 22.083 1.150 21 HG SER 5 HG SER 5 8.122 21.488 2.908 22 H SER 6 H SER 6 2.523 20.824 2.473 23 HA SER 6 HA SER 6 0.896 20.158 1.028 24 HB2 SER 6 1HB SER 6 3.033 20.655 -1.059 25 HB3 SER 6 2HB SER 6 1.322 20.399 -1.400 26 HG SER 6 HG SER 6 1.153 22.470 -1.130 27 H GLY 7 H GLY 7 2.488 18.188 2.302 28 HA2 GLY 7 1HA GLY 7 2.924 16.119 0.283 29 HA3 GLY 7 2HA GLY 7 3.368 16.023 1.981 30 H GLU 8 H GLU 8 1.501 14.580 -0.172 31 HA GLU 8 HA GLU 8 -0.530 13.892 1.835 32 HB2 GLU 8 1HB GLU 8 -2.297 13.941 0.251 33 HB3 GLU 8 2HB GLU 8 -1.430 15.460 0.067 34 HG2 GLU 8 1HG GLU 8 -0.150 14.252 -1.809 35 HG3 GLU 8 2HG GLU 8 -1.470 13.085 -1.748 36 HA PRO 9 HA PRO 9 0.485 9.715 0.941 37 HB2 PRO 9 1HB PRO 9 -1.879 8.496 1.484 38 HB3 PRO 9 2HB PRO 9 -0.822 9.147 2.743 39 HG2 PRO 9 1HG PRO 9 -3.270 10.354 1.514 40 HG3 PRO 9 2HG PRO 9 -2.780 10.308 3.217 41 HD2 PRO 9 1HD PRO 9 -2.437 12.497 1.661 42 HD3 PRO 9 2HD PRO 9 -1.320 12.075 2.976 43 H ILE 10 H ILE 10 -0.104 7.856 -0.416 44 HA ILE 10 HA ILE 10 -1.503 8.723 -2.858 45 HB ILE 10 HB ILE 10 0.595 6.566 -2.611 46 HG12 ILE 10 1HG1 ILE 10 0.917 9.290 -3.872 47 HG13 ILE 10 2HG1 ILE 10 1.371 8.956 -2.204 48 HG21 ILE 10 1HG2 ILE 10 -1.257 7.313 -4.695 49 HG22 ILE 10 2HG2 ILE 10 0.413 7.454 -5.241 50 HG23 ILE 10 3HG2 ILE 10 -0.177 5.923 -4.595 51 HD11 ILE 10 1HD1 ILE 10 2.786 8.392 -4.654 52 HD12 ILE 10 2HD1 ILE 10 3.363 8.388 -2.987 53 HD13 ILE 10 3HD1 ILE 10 2.599 6.947 -3.660 54 H GLU 11 H GLU 11 -3.414 7.818 -3.190 55 HA GLU 11 HA GLU 11 -4.280 5.532 -1.690 56 HB2 GLU 11 1HB GLU 11 -5.522 7.369 -3.690 57 HB3 GLU 11 2HB GLU 11 -6.295 5.822 -3.375 58 HG2 GLU 11 1HG GLU 11 -6.875 6.384 -1.239 59 HG3 GLU 11 2HG GLU 11 -5.544 7.526 -1.060 60 H ALA 12 H ALA 12 -3.622 3.554 -2.203 61 HA ALA 12 HA ALA 12 -3.340 2.852 -5.049 62 HB1 ALA 12 1HB ALA 12 -2.057 1.553 -2.648 63 HB2 ALA 12 2HB ALA 12 -1.816 1.086 -4.332 64 HB3 ALA 12 3HB ALA 12 -1.268 2.664 -3.768 65 H ILE 13 H ILE 13 -3.866 0.584 -5.603 66 HA ILE 13 HA ILE 13 -6.128 -0.412 -3.995 67 HB ILE 13 HB ILE 13 -5.829 -0.517 -6.999 68 HG12 ILE 13 1HG1 ILE 13 -6.430 1.709 -6.303 69 HG13 ILE 13 2HG1 ILE 13 -7.873 0.932 -6.946 70 HG21 ILE 13 1HG2 ILE 13 -8.234 -1.349 -6.822 71 HG22 ILE 13 2HG2 ILE 13 -6.954 -2.482 -6.392 72 HG23 ILE 13 3HG2 ILE 13 -7.873 -1.669 -5.126 73 HD11 ILE 13 1HD1 ILE 13 -8.745 1.872 -5.076 74 HD12 ILE 13 2HD1 ILE 13 -8.233 0.325 -4.400 75 HD13 ILE 13 3HD1 ILE 13 -7.232 1.760 -4.177 76 H ALA 14 H ALA 14 -6.187 -2.546 -3.514 77 HA ALA 14 HA ALA 14 -3.804 -4.076 -3.802 78 HB1 ALA 14 1HB ALA 14 -6.495 -5.097 -2.918 79 HB2 ALA 14 2HB ALA 14 -4.905 -5.756 -2.529 80 HB3 ALA 14 3HB ALA 14 -5.399 -4.197 -1.868 81 H LYS 15 H LYS 15 -3.194 -5.120 -5.569 82 HA LYS 15 HA LYS 15 -4.964 -5.652 -7.739 83 HB2 LYS 15 1HB LYS 15 -2.082 -6.070 -7.162 84 HB3 LYS 15 2HB LYS 15 -2.800 -7.103 -8.391 85 HG2 LYS 15 1HG LYS 15 -3.721 -4.801 -9.292 86 HG3 LYS 15 2HG LYS 15 -2.326 -4.173 -8.411 87 HD2 LYS 15 1HD LYS 15 -2.212 -6.366 -10.481 88 HD3 LYS 15 2HD LYS 15 -1.839 -4.668 -10.790 89 HE2 LYS 15 1HE LYS 15 -0.436 -6.065 -8.564 90 HE3 LYS 15 2HE LYS 15 0.057 -6.407 -10.222 91 HZ1 LYS 15 1HZ LYS 15 1.237 -4.533 -8.999 92 HZ2 LYS 15 2HZ LYS 15 -0.177 -3.635 -9.229 93 HZ3 LYS 15 3HZ LYS 15 0.687 -4.207 -10.566 94 H PHE 16 H PHE 16 -3.481 -7.625 -5.215 95 HA PHE 16 HA PHE 16 -5.463 -9.704 -5.744 96 HB2 PHE 16 1HB PHE 16 -2.641 -10.576 -5.253 97 HB3 PHE 16 2HB PHE 16 -3.958 -11.447 -6.033 98 HD1 PHE 16 2HD PHE 16 -4.497 -11.060 -8.367 99 HD2 PHE 16 1HD PHE 16 -1.272 -9.022 -6.479 100 HE1 PHE 16 2HE PHE 16 -3.623 -10.407 -10.572 101 HE2 PHE 16 1HE PHE 16 -0.393 -8.365 -8.681 102 HZ PHE 16 HZ PHE 16 -1.568 -9.059 -10.731 103 H ASP 17 H ASP 17 -6.196 -10.702 -3.938 104 HA ASP 17 HA ASP 17 -5.955 -9.556 -1.453 105 HB2 ASP 17 1HB ASP 17 -6.675 -11.928 -0.624 106 HB3 ASP 17 2HB ASP 17 -7.764 -10.997 -1.650 107 H TYR 18 H TYR 18 -4.181 -9.265 -0.283 108 HA TYR 18 HA TYR 18 -2.209 -11.451 -0.155 109 HB2 TYR 18 1HB TYR 18 -1.403 -9.323 -1.191 110 HB3 TYR 18 2HB TYR 18 -1.712 -8.509 0.338 111 HD1 TYR 18 2HD TYR 18 -0.302 -8.940 2.285 112 HD2 TYR 18 1HD TYR 18 0.480 -10.818 -1.452 113 HE1 TYR 18 2HE TYR 18 1.944 -9.560 3.073 114 HE2 TYR 18 1HE TYR 18 2.728 -11.445 -0.673 115 HH TYR 18 HH TYR 18 3.679 -11.719 2.167 116 H VAL 19 H VAL 19 -1.314 -11.999 1.842 117 HA VAL 19 HA VAL 19 -2.633 -10.843 4.208 118 HB VAL 19 HB VAL 19 -3.682 -12.991 3.763 119 HG11 VAL 19 1HG1 VAL 19 -1.556 -13.851 2.568 120 HG12 VAL 19 2HG1 VAL 19 -1.067 -14.387 4.177 121 HG13 VAL 19 3HG1 VAL 19 -2.557 -14.997 3.458 122 HG21 VAL 19 1HG2 VAL 19 -2.556 -12.194 6.150 123 HG22 VAL 19 2HG2 VAL 19 -3.770 -13.457 5.946 124 HG23 VAL 19 3HG2 VAL 19 -2.059 -13.880 6.006 125 H GLY 20 H GLY 20 -1.039 -9.764 5.200 126 HA2 GLY 20 1HA GLY 20 1.675 -10.121 5.023 127 HA3 GLY 20 2HA GLY 20 0.876 -9.449 6.437 128 H ARG 21 H ARG 21 2.809 -11.926 5.303 129 HA ARG 21 HA ARG 21 2.013 -14.093 6.917 130 HB2 ARG 21 1HB ARG 21 4.830 -13.478 6.018 131 HB3 ARG 21 2HB ARG 21 4.161 -15.052 6.426 132 HG2 ARG 21 1HG ARG 21 2.632 -14.852 4.486 133 HG3 ARG 21 2HG ARG 21 3.444 -13.346 4.053 134 HD2 ARG 21 1HD ARG 21 5.008 -15.869 4.445 135 HD3 ARG 21 2HD ARG 21 4.182 -15.553 2.919 136 HE ARG 21 HE ARG 21 5.718 -13.896 2.452 137 HH11 ARG 21 2HH1 ARG 21 6.101 -14.999 5.732 138 HH12 ARG 21 1HH1 ARG 21 7.611 -14.182 5.968 139 HH21 ARG 21 2HH2 ARG 21 7.705 -12.815 2.751 140 HH22 ARG 21 1HH2 ARG 21 8.521 -12.939 4.273 141 H THR 22 H THR 22 4.008 -11.285 7.540 142 HA THR 22 HA THR 22 4.410 -12.228 10.304 143 HB THR 22 HB THR 22 6.374 -10.800 10.442 144 HG1 THR 22 1HG THR 22 7.082 -9.698 8.539 145 HG21 THR 22 1HG2 THR 22 7.523 -11.889 8.218 146 HG22 THR 22 2HG2 THR 22 6.124 -12.937 8.448 147 HG23 THR 22 3HG2 THR 22 7.296 -12.732 9.749 148 H ALA 23 H ALA 23 4.632 -10.388 11.903 149 HA ALA 23 HA ALA 23 2.270 -8.924 12.033 150 HB1 ALA 23 1HB ALA 23 3.171 -9.098 14.104 151 HB2 ALA 23 2HB ALA 23 4.827 -8.923 13.520 152 HB3 ALA 23 3HB ALA 23 3.799 -7.501 13.697 153 H ARG 24 H ARG 24 5.529 -7.835 11.108 154 HA ARG 24 HA ARG 24 5.035 -5.153 10.715 155 HB2 ARG 24 1HB ARG 24 6.915 -7.099 9.438 156 HB3 ARG 24 2HB ARG 24 6.800 -5.468 8.790 157 HG2 ARG 24 1HG ARG 24 7.340 -6.030 11.691 158 HG3 ARG 24 2HG ARG 24 8.619 -5.875 10.485 159 HD2 ARG 24 1HD ARG 24 8.167 -3.626 10.113 160 HD3 ARG 24 2HD ARG 24 6.535 -3.746 10.771 161 HE ARG 24 HE ARG 24 8.637 -4.230 12.685 162 HH11 ARG 24 2HH1 ARG 24 6.587 -1.852 11.181 163 HH12 ARG 24 1HH1 ARG 24 6.728 -0.717 12.482 164 HH21 ARG 24 2HH2 ARG 24 8.831 -2.744 14.405 165 HH22 ARG 24 1HH2 ARG 24 8.005 -1.225 14.315 166 H GLU 25 H GLU 25 4.734 -7.755 8.297 167 HA GLU 25 HA GLU 25 3.761 -6.125 6.223 168 HB2 GLU 25 1HB GLU 25 3.552 -9.079 6.768 169 HB3 GLU 25 2HB GLU 25 2.831 -8.348 5.341 170 HG2 GLU 25 1HG GLU 25 5.009 -7.553 4.621 171 HG3 GLU 25 2HG GLU 25 5.748 -8.227 6.072 172 H LEU 26 H LEU 26 1.613 -6.020 5.337 173 HA LEU 26 HA LEU 26 -0.456 -6.142 7.427 174 HB2 LEU 26 1HB LEU 26 -0.416 -4.464 4.924 175 HB3 LEU 26 2HB LEU 26 -1.626 -4.409 6.203 176 HG LEU 26 HG LEU 26 1.271 -3.638 6.541 177 HD11 LEU 26 1HD1 LEU 26 0.788 -1.532 5.964 178 HD12 LEU 26 2HD1 LEU 26 -0.786 -1.572 6.757 179 HD13 LEU 26 3HD1 LEU 26 -0.600 -2.237 5.135 180 HD21 LEU 26 1HD2 LEU 26 -1.012 -3.955 8.369 181 HD22 LEU 26 2HD2 LEU 26 -0.096 -2.458 8.552 182 HD23 LEU 26 3HD2 LEU 26 0.721 -4.016 8.691 183 H SER 27 H SER 27 -2.519 -6.935 6.921 184 HA SER 27 HA SER 27 -2.563 -8.718 4.582 185 HB2 SER 27 1HB SER 27 -4.017 -10.160 5.782 186 HB3 SER 27 2HB SER 27 -2.777 -9.680 6.940 187 HG SER 27 HG SER 27 -4.325 -7.995 7.583 188 H PHE 28 H PHE 28 -3.837 -8.182 2.950 189 HA PHE 28 HA PHE 28 -6.339 -6.755 3.486 190 HB2 PHE 28 1HB PHE 28 -5.862 -5.340 1.426 191 HB3 PHE 28 2HB PHE 28 -4.923 -4.956 2.865 192 HD1 PHE 28 1HD PHE 28 -4.804 -6.654 -0.412 193 HD2 PHE 28 2HD PHE 28 -2.574 -5.104 2.866 194 HE1 PHE 28 1HE PHE 28 -2.726 -6.922 -1.703 195 HE2 PHE 28 2HE PHE 28 -0.493 -5.369 1.580 196 HZ PHE 28 HZ PHE 28 -0.567 -6.279 -0.708 197 H LYS 29 H LYS 29 -7.651 -6.617 1.354 198 HA LYS 29 HA LYS 29 -7.369 -9.175 -0.084 199 HB2 LYS 29 1HB LYS 29 -9.894 -7.779 0.816 200 HB3 LYS 29 2HB LYS 29 -9.867 -9.162 -0.270 201 HG2 LYS 29 1HG LYS 29 -8.558 -9.328 2.411 202 HG3 LYS 29 2HG LYS 29 -10.304 -9.529 2.250 203 HD2 LYS 29 1HD LYS 29 -9.883 -11.311 0.566 204 HD3 LYS 29 2HD LYS 29 -8.156 -11.161 0.899 205 HE2 LYS 29 1HE LYS 29 -10.247 -11.834 2.964 206 HE3 LYS 29 2HE LYS 29 -9.256 -13.024 2.122 207 HZ1 LYS 29 1HZ LYS 29 -7.475 -12.544 3.370 208 HZ2 LYS 29 2HZ LYS 29 -8.599 -11.901 4.458 209 HZ3 LYS 29 3HZ LYS 29 -7.781 -10.880 3.386 210 H LYS 30 H LYS 30 -7.717 -9.181 -2.277 211 HA LYS 30 HA LYS 30 -7.009 -7.089 -3.839 212 HB2 LYS 30 1HB LYS 30 -7.298 -9.343 -4.717 213 HB3 LYS 30 2HB LYS 30 -9.042 -9.220 -4.525 214 HG2 LYS 30 1HG LYS 30 -9.191 -7.569 -6.236 215 HG3 LYS 30 2HG LYS 30 -7.434 -7.417 -6.318 216 HD2 LYS 30 1HD LYS 30 -7.223 -9.635 -7.206 217 HD3 LYS 30 2HD LYS 30 -8.939 -9.955 -6.944 218 HE2 LYS 30 1HE LYS 30 -9.542 -8.309 -8.600 219 HE3 LYS 30 2HE LYS 30 -7.856 -7.829 -8.789 220 HZ1 LYS 30 1HZ LYS 30 -8.901 -9.445 -10.479 221 HZ2 LYS 30 2HZ LYS 30 -8.661 -10.618 -9.284 222 HZ3 LYS 30 3HZ LYS 30 -7.341 -9.762 -9.906 223 H GLY 31 H GLY 31 -7.804 -5.148 -4.312 224 HA2 GLY 31 1HA GLY 31 -9.552 -3.720 -5.092 225 HA3 GLY 31 2HA GLY 31 -10.717 -4.760 -4.286 226 H ALA 32 H ALA 32 -9.256 -4.896 -1.792 227 HA ALA 32 HA ALA 32 -10.425 -2.866 -0.358 228 HB1 ALA 32 1HB ALA 32 -9.217 -5.018 0.433 229 HB2 ALA 32 2HB ALA 32 -7.796 -3.978 0.534 230 HB3 ALA 32 3HB ALA 32 -9.233 -3.602 1.484 231 H SER 33 H SER 33 -10.077 -0.757 -0.126 232 HA SER 33 HA SER 33 -8.029 0.575 -1.569 233 HB2 SER 33 1HB SER 33 -10.125 1.703 -1.229 234 HB3 SER 33 2HB SER 33 -9.981 1.556 0.522 235 HG SER 33 HG SER 33 -8.208 2.965 0.439 236 H LEU 34 H LEU 34 -6.006 1.009 -1.003 237 HA LEU 34 HA LEU 34 -5.297 0.912 1.856 238 HB2 LEU 34 1HB LEU 34 -3.534 0.122 -0.455 239 HB3 LEU 34 2HB LEU 34 -3.150 -0.007 1.260 240 HG LEU 34 HG LEU 34 -5.499 -1.504 0.197 241 HD11 LEU 34 1HD1 LEU 34 -3.576 -1.887 -1.367 242 HD12 LEU 34 2HD1 LEU 34 -4.171 -3.328 -0.543 243 HD13 LEU 34 3HD1 LEU 34 -2.685 -2.551 0.002 244 HD21 LEU 34 1HD2 LEU 34 -3.418 -2.259 2.239 245 HD22 LEU 34 2HD2 LEU 34 -4.994 -3.005 1.972 246 HD23 LEU 34 3HD2 LEU 34 -4.891 -1.371 2.630 247 H LEU 35 H LEU 35 -3.970 2.491 2.650 248 HA LEU 35 HA LEU 35 -3.474 4.757 0.856 249 HB2 LEU 35 1HB LEU 35 -4.732 4.787 3.191 250 HB3 LEU 35 2HB LEU 35 -3.085 4.957 3.795 251 HG LEU 35 HG LEU 35 -2.875 6.956 2.244 252 HD11 LEU 35 1HD1 LEU 35 -5.881 6.761 2.213 253 HD12 LEU 35 2HD1 LEU 35 -4.841 6.359 0.848 254 HD13 LEU 35 3HD1 LEU 35 -4.882 8.009 1.468 255 HD21 LEU 35 1HD2 LEU 35 -3.266 8.198 4.052 256 HD22 LEU 35 2HD2 LEU 35 -3.800 6.710 4.836 257 HD23 LEU 35 3HD2 LEU 35 -4.978 7.777 4.069 258 H LEU 36 H LEU 36 -1.464 5.615 0.553 259 HA LEU 36 HA LEU 36 0.782 4.142 1.767 260 HB2 LEU 36 1HB LEU 36 0.700 5.504 -0.921 261 HB3 LEU 36 2HB LEU 36 2.059 4.606 -0.248 262 HG LEU 36 HG LEU 36 -0.578 3.518 -1.213 263 HD11 LEU 36 1HD1 LEU 36 0.716 3.610 -3.081 264 HD12 LEU 36 2HD1 LEU 36 1.266 2.063 -2.440 265 HD13 LEU 36 3HD1 LEU 36 2.228 3.517 -2.177 266 HD21 LEU 36 1HD2 LEU 36 1.528 2.272 0.515 267 HD22 LEU 36 2HD2 LEU 36 0.566 1.289 -0.590 268 HD23 LEU 36 3HD2 LEU 36 -0.227 2.220 0.681 269 H TYR 37 H TYR 37 2.359 5.273 2.759 270 HA TYR 37 HA TYR 37 2.074 8.202 2.797 271 HB2 TYR 37 1HB TYR 37 3.288 6.359 4.866 272 HB3 TYR 37 2HB TYR 37 3.207 8.113 4.993 273 HD1 TYR 37 1HD TYR 37 0.528 8.780 4.173 274 HD2 TYR 37 2HD TYR 37 1.874 5.447 6.450 275 HE1 TYR 37 1HE TYR 37 -1.691 8.606 5.219 276 HE2 TYR 37 2HE TYR 37 -0.342 5.263 7.501 277 HH TYR 37 HH TYR 37 -2.559 7.607 7.539 278 H GLN 38 H GLN 38 4.501 5.607 2.868 279 HA GLN 38 HA GLN 38 6.248 7.170 1.176 280 HB2 GLN 38 1HB GLN 38 6.635 7.700 3.731 281 HB3 GLN 38 2HB GLN 38 7.506 6.173 3.696 282 HG2 GLN 38 1HG GLN 38 8.652 7.282 1.593 283 HG3 GLN 38 2HG GLN 38 8.161 8.764 2.412 284 HE21 GLN 38 1HE2 GLN 38 10.554 6.497 2.122 285 HE22 GLN 38 2HE2 GLN 38 11.417 6.814 3.584 286 H ARG 39 H ARG 39 7.951 5.938 0.246 287 HA ARG 39 HA ARG 39 7.305 3.125 0.041 288 HB2 ARG 39 1HB ARG 39 7.822 4.423 -1.978 289 HB3 ARG 39 2HB ARG 39 9.429 4.765 -1.352 290 HG2 ARG 39 1HG ARG 39 9.931 3.027 -2.719 291 HG3 ARG 39 2HG ARG 39 9.555 2.125 -1.250 292 HD2 ARG 39 1HD ARG 39 7.454 1.485 -2.039 293 HD3 ARG 39 2HD ARG 39 7.429 2.748 -3.268 294 HE ARG 39 HE ARG 39 8.651 0.144 -3.471 295 HH11 ARG 39 2HH1 ARG 39 8.549 3.395 -4.713 296 HH12 ARG 39 1HH1 ARG 39 9.209 2.965 -6.256 297 HH21 ARG 39 2HH2 ARG 39 9.520 -0.434 -5.499 298 HH22 ARG 39 1HH2 ARG 39 9.760 0.787 -6.703 299 H ALA 40 H ALA 40 8.005 1.901 1.687 300 HA ALA 40 HA ALA 40 10.283 2.401 3.256 301 HB1 ALA 40 1HB ALA 40 9.375 0.805 4.499 302 HB2 ALA 40 2HB ALA 40 8.176 0.536 3.233 303 HB3 ALA 40 3HB ALA 40 9.675 -0.393 3.239 304 H SER 41 H SER 41 9.792 0.393 0.394 305 HA SER 41 HA SER 41 12.619 0.447 -0.171 306 HB2 SER 41 1HB SER 41 12.198 -1.518 1.440 307 HB3 SER 41 2HB SER 41 11.367 -2.283 0.086 308 HG SER 41 HG SER 41 13.222 -2.611 -0.879 309 H ASP 42 H ASP 42 12.943 -1.227 -2.154 310 HA ASP 42 HA ASP 42 11.331 -0.157 -4.246 311 HB2 ASP 42 1HB ASP 42 13.595 -2.103 -4.083 312 HB3 ASP 42 2HB ASP 42 12.639 -2.038 -5.561 313 H ASP 43 H ASP 43 11.079 -2.902 -2.220 314 HA ASP 43 HA ASP 43 8.887 -3.932 -3.896 315 HB2 ASP 43 1HB ASP 43 11.112 -5.401 -2.543 316 HB3 ASP 43 2HB ASP 43 9.539 -6.182 -2.677 317 H TRP 44 H TRP 44 9.016 -2.059 -1.559 318 HA TRP 44 HA TRP 44 6.856 -3.282 -0.065 319 HB2 TRP 44 1HB TRP 44 9.464 -2.487 1.234 320 HB3 TRP 44 2HB TRP 44 7.962 -2.680 2.135 321 HD1 TRP 44 HD TRP 44 10.920 -4.584 1.101 322 HE1 TRP 44 1HE TRP 44 10.551 -7.110 1.429 323 HE3 TRP 44 3HE TRP 44 5.856 -4.579 1.801 324 HZ2 TRP 44 2HZ TRP 44 8.397 -8.868 1.920 325 HZ3 TRP 44 3HZ TRP 44 4.718 -6.725 2.193 326 HH2 TRP 44 HH TRP 44 5.964 -8.824 2.250 327 H TRP 45 H TRP 45 5.848 -1.714 1.459 328 HA TRP 45 HA TRP 45 6.411 1.088 0.828 329 HB2 TRP 45 1HB TRP 45 3.854 -0.372 0.265 330 HB3 TRP 45 2HB TRP 45 3.806 1.337 0.690 331 HD1 TRP 45 HD TRP 45 5.112 -1.018 -2.054 332 HE1 TRP 45 1HE TRP 45 5.506 0.364 -4.189 333 HE3 TRP 45 3HE TRP 45 4.251 3.654 -0.166 334 HZ2 TRP 45 2HZ TRP 45 5.458 3.076 -4.970 335 HZ3 TRP 45 3HZ TRP 45 4.446 5.589 -1.673 336 HH2 TRP 45 HH TRP 45 5.037 5.304 -4.025 337 H GLU 46 H GLU 46 5.229 2.590 2.281 338 HA GLU 46 HA GLU 46 4.703 1.345 4.900 339 HB2 GLU 46 1HB GLU 46 6.065 3.983 4.331 340 HB3 GLU 46 2HB GLU 46 5.632 3.400 5.933 341 HG2 GLU 46 1HG GLU 46 7.065 1.318 5.174 342 HG3 GLU 46 2HG GLU 46 7.799 2.517 4.111 343 H GLY 47 H GLY 47 2.491 1.341 4.816 344 HA2 GLY 47 1HA GLY 47 1.229 3.998 4.853 345 HA3 GLY 47 2HA GLY 47 0.567 2.746 3.813 346 H ARG 48 H ARG 48 -1.423 2.934 4.962 347 HA ARG 48 HA ARG 48 -1.394 1.434 7.488 348 HB2 ARG 48 1HB ARG 48 -1.698 3.751 8.106 349 HB3 ARG 48 2HB ARG 48 -2.971 3.944 6.908 350 HG2 ARG 48 1HG ARG 48 -4.145 2.049 8.256 351 HG3 ARG 48 2HG ARG 48 -3.044 2.550 9.541 352 HD2 ARG 48 1HD ARG 48 -4.810 3.924 9.992 353 HD3 ARG 48 2HD ARG 48 -3.916 4.950 8.871 354 HE ARG 48 HE ARG 48 -5.750 3.341 7.453 355 HH11 ARG 48 2HH1 ARG 48 -5.624 6.088 9.588 356 HH12 ARG 48 1HH1 ARG 48 -7.077 6.801 8.970 357 HH21 ARG 48 2HH2 ARG 48 -7.665 4.270 6.630 358 HH22 ARG 48 1HH2 ARG 48 -8.237 5.765 7.288 359 H HIS 49 H HIS 49 -3.190 0.116 7.865 360 HA HIS 49 HA HIS 49 -5.182 -0.070 5.722 361 HB2 HIS 49 1HB HIS 49 -3.623 -1.747 5.075 362 HB3 HIS 49 2HB HIS 49 -3.437 -2.314 6.732 363 HD1 HIS 49 1HD HIS 49 -5.224 -3.919 7.644 364 HD2 HIS 49 2HD HIS 49 -5.918 -2.677 3.741 365 HE1 HIS 49 1HE HIS 49 -7.037 -5.428 6.770 366 HE2 HIS 49 2HE HIS 49 -7.379 -4.713 4.380 367 H ASN 50 H ASN 50 -7.110 0.120 6.633 368 HA ASN 50 HA ASN 50 -8.780 0.110 8.188 369 HB2 ASN 50 1HB ASN 50 -8.556 -2.330 7.495 370 HB3 ASN 50 2HB ASN 50 -7.671 -2.578 8.997 371 HD21 ASN 50 1HD2 ASN 50 -8.755 -2.611 10.917 372 HD22 ASN 50 2HD2 ASN 50 -10.479 -2.598 11.034 373 H GLY 51 H GLY 51 -6.469 1.455 9.056 374 HA2 GLY 51 1HA GLY 51 -5.856 2.503 11.026 375 HA3 GLY 51 2HA GLY 51 -6.938 1.425 11.895 376 H ILE 52 H ILE 52 -4.355 0.375 9.754 377 HA ILE 52 HA ILE 52 -2.752 -0.428 12.076 378 HB ILE 52 HB ILE 52 -3.453 -2.275 9.791 379 HG12 ILE 52 1HG1 ILE 52 -4.173 -2.501 12.719 380 HG13 ILE 52 2HG1 ILE 52 -5.268 -1.898 11.480 381 HG21 ILE 52 1HG2 ILE 52 -2.290 -3.868 11.591 382 HG22 ILE 52 2HG2 ILE 52 -1.389 -3.049 10.317 383 HG23 ILE 52 3HG2 ILE 52 -1.427 -2.371 11.944 384 HD11 ILE 52 1HD1 ILE 52 -4.242 -4.666 11.909 385 HD12 ILE 52 2HD1 ILE 52 -5.901 -4.102 11.700 386 HD13 ILE 52 3HD1 ILE 52 -4.807 -4.158 10.318 387 H ASP 53 H ASP 53 -0.774 0.349 11.836 388 HA ASP 53 HA ASP 53 0.200 1.073 9.193 389 HB2 ASP 53 1HB ASP 53 1.786 2.415 10.266 390 HB3 ASP 53 2HB ASP 53 0.390 2.513 11.337 391 H GLY 54 H GLY 54 1.687 -0.025 8.068 392 HA2 GLY 54 1HA GLY 54 3.668 -1.685 9.277 393 HA3 GLY 54 2HA GLY 54 2.364 -2.647 8.596 394 H LEU 55 H LEU 55 3.574 -3.590 6.983 395 HA LEU 55 HA LEU 55 4.699 -1.767 4.962 396 HB2 LEU 55 1HB LEU 55 5.394 -4.584 5.736 397 HB3 LEU 55 2HB LEU 55 5.910 -3.884 4.203 398 HG LEU 55 HG LEU 55 6.624 -2.772 6.915 399 HD11 LEU 55 1HD1 LEU 55 8.408 -4.107 7.011 400 HD12 LEU 55 2HD1 LEU 55 8.753 -3.921 5.292 401 HD13 LEU 55 3HD1 LEU 55 7.565 -5.109 5.829 402 HD21 LEU 55 1HD2 LEU 55 6.620 -1.100 5.155 403 HD22 LEU 55 2HD2 LEU 55 7.622 -2.137 4.140 404 HD23 LEU 55 3HD2 LEU 55 8.273 -1.476 5.640 405 H ILE 56 H ILE 56 4.346 -2.229 2.744 406 HA ILE 56 HA ILE 56 2.186 -4.127 2.155 407 HB ILE 56 HB ILE 56 2.256 -1.248 1.246 408 HG12 ILE 56 1HG1 ILE 56 0.006 -2.608 2.699 409 HG13 ILE 56 2HG1 ILE 56 1.372 -1.948 3.592 410 HG21 ILE 56 1HG2 ILE 56 0.896 -1.740 -0.448 411 HG22 ILE 56 2HG2 ILE 56 1.330 -3.428 -0.183 412 HG23 ILE 56 3HG2 ILE 56 -0.120 -2.762 0.568 413 HD11 ILE 56 1HD1 ILE 56 -0.448 -0.366 3.534 414 HD12 ILE 56 2HD1 ILE 56 0.922 0.254 2.613 415 HD13 ILE 56 3HD1 ILE 56 -0.473 -0.421 1.772 416 HA PRO 57 HA PRO 57 5.010 -5.234 -1.075 417 HB2 PRO 57 1HB PRO 57 3.353 -6.939 -2.386 418 HB3 PRO 57 2HB PRO 57 4.157 -7.358 -0.868 419 HG2 PRO 57 1HG PRO 57 1.353 -6.417 -1.329 420 HG3 PRO 57 2HG PRO 57 1.940 -7.706 -0.261 421 HD2 PRO 57 1HD PRO 57 1.293 -5.240 0.651 422 HD3 PRO 57 2HD PRO 57 2.574 -6.224 1.387 423 H HIS 58 H HIS 58 5.455 -4.473 -3.073 424 HA HIS 58 HA HIS 58 3.538 -2.675 -4.297 425 HB2 HIS 58 1HB HIS 58 5.890 -1.990 -4.076 426 HB3 HIS 58 2HB HIS 58 6.380 -3.344 -5.091 427 HD2 HIS 58 2HD HIS 58 5.718 -3.059 -7.845 428 HE1 HIS 58 1HE HIS 58 4.833 1.078 -7.539 429 HE2 HIS 58 2HE HIS 58 5.177 -0.865 -9.104 430 H GLN 59 H GLN 59 4.101 -5.911 -4.475 431 HA GLN 59 HA GLN 59 3.615 -6.139 -7.347 432 HB2 GLN 59 1HB GLN 59 4.234 -8.202 -5.230 433 HB3 GLN 59 2HB GLN 59 3.884 -8.601 -6.907 434 HG2 GLN 59 1HG GLN 59 5.883 -7.821 -7.661 435 HG3 GLN 59 2HG GLN 59 6.028 -6.624 -6.374 436 HE21 GLN 59 1HE2 GLN 59 7.804 -7.041 -5.277 437 HE22 GLN 59 2HE2 GLN 59 8.311 -8.593 -4.713 438 H TYR 60 H TYR 60 1.935 -6.184 -4.381 439 HA TYR 60 HA TYR 60 -0.415 -7.388 -5.690 440 HB2 TYR 60 1HB TYR 60 0.261 -7.309 -2.742 441 HB3 TYR 60 2HB TYR 60 -1.208 -7.990 -3.432 442 HD1 TYR 60 2HD TYR 60 2.496 -8.300 -3.864 443 HD2 TYR 60 1HD TYR 60 -1.268 -10.276 -3.700 444 HE1 TYR 60 2HE TYR 60 3.630 -10.467 -4.122 445 HE2 TYR 60 1HE TYR 60 -0.145 -12.449 -3.956 446 HH TYR 60 HH TYR 60 2.821 -13.068 -3.356 447 H ILE 61 H ILE 61 0.519 -4.578 -5.718 448 HA ILE 61 HA ILE 61 -2.015 -3.368 -5.040 449 HB ILE 61 HB ILE 61 -1.121 -1.600 -3.646 450 HG12 ILE 61 1HG1 ILE 61 1.307 -2.162 -2.725 451 HG13 ILE 61 2HG1 ILE 61 1.472 -2.925 -4.303 452 HG21 ILE 61 1HG2 ILE 61 -1.896 -3.777 -2.653 453 HG22 ILE 61 2HG2 ILE 61 -0.198 -4.225 -2.501 454 HG23 ILE 61 3HG2 ILE 61 -0.821 -2.822 -1.633 455 HD11 ILE 61 1HD1 ILE 61 0.335 -0.265 -4.477 456 HD12 ILE 61 2HD1 ILE 61 1.926 -0.281 -3.715 457 HD13 ILE 61 3HD1 ILE 61 1.711 -0.970 -5.324 458 H VAL 62 H VAL 62 -2.320 -1.304 -6.001 459 HA VAL 62 HA VAL 62 -0.363 -0.701 -8.122 460 HB VAL 62 HB VAL 62 -3.348 -0.235 -8.130 461 HG11 VAL 62 1HG1 VAL 62 -1.965 1.502 -9.306 462 HG12 VAL 62 2HG1 VAL 62 -1.403 0.222 -10.383 463 HG13 VAL 62 3HG1 VAL 62 -3.116 0.642 -10.329 464 HG21 VAL 62 1HG2 VAL 62 -3.287 -2.436 -8.650 465 HG22 VAL 62 2HG2 VAL 62 -2.881 -1.815 -10.250 466 HG23 VAL 62 3HG2 VAL 62 -1.604 -2.379 -9.173 467 H VAL 63 H VAL 63 0.823 0.984 -7.472 468 HA VAL 63 HA VAL 63 -0.137 3.005 -5.704 469 HB VAL 63 HB VAL 63 2.352 2.913 -7.413 470 HG11 VAL 63 1HG1 VAL 63 2.383 5.129 -7.011 471 HG12 VAL 63 2HG1 VAL 63 1.234 5.009 -5.676 472 HG13 VAL 63 3HG1 VAL 63 2.938 4.632 -5.413 473 HG21 VAL 63 1HG2 VAL 63 3.499 2.197 -5.472 474 HG22 VAL 63 2HG2 VAL 63 2.110 2.531 -4.438 475 HG23 VAL 63 3HG2 VAL 63 2.054 1.192 -5.584 476 H GLN 64 H GLN 64 -1.651 4.402 -6.339 477 HA GLN 64 HA GLN 64 -1.892 5.253 -9.079 478 HB2 GLN 64 1HB GLN 64 -3.363 6.212 -6.618 479 HB3 GLN 64 2HB GLN 64 -3.807 6.557 -8.285 480 HG2 GLN 64 1HG GLN 64 -3.573 3.721 -7.420 481 HG3 GLN 64 2HG GLN 64 -4.987 4.653 -6.931 482 HE21 GLN 64 1HE2 GLN 64 -3.754 2.666 -9.252 483 HE22 GLN 64 2HE2 GLN 64 -4.814 3.060 -10.558 484 H ASP 65 H ASP 65 -0.432 6.646 -9.839 485 HA ASP 65 HA ASP 65 1.107 8.430 -8.357 486 HB2 ASP 65 1HB ASP 65 1.574 7.696 -10.701 487 HB3 ASP 65 2HB ASP 65 0.283 8.763 -11.248 488 H THR 66 H THR 66 0.216 9.888 -7.026 489 HA THR 66 HA THR 66 -1.308 11.436 -6.226 490 HB THR 66 HB THR 66 0.471 12.769 -7.277 491 HG1 THR 66 1HG THR 66 -1.748 13.629 -6.476 492 HG21 THR 66 1HG2 THR 66 0.318 13.604 -9.499 493 HG22 THR 66 2HG2 THR 66 -1.318 12.976 -9.694 494 HG23 THR 66 3HG2 THR 66 0.048 11.865 -9.597 495 H SER 67 H SER 67 -2.804 9.468 -7.380 496 HA SER 67 HA SER 67 -5.031 11.011 -8.482 497 HB2 SER 67 1HB SER 67 -3.608 9.794 -10.299 498 HB3 SER 67 2HB SER 67 -4.393 8.336 -9.693 499 HG SER 67 HG SER 67 -6.019 10.528 -10.250 500 H GLY 68 H GLY 68 -7.043 10.279 -7.888 501 HA2 GLY 68 1HA GLY 68 -7.520 7.694 -6.794 502 HA3 GLY 68 2HA GLY 68 -7.343 8.888 -5.517 503 HA PRO 69 HA PRO 69 -11.754 8.744 -7.204 504 HB2 PRO 69 1HB PRO 69 -12.939 7.787 -4.957 505 HB3 PRO 69 2HB PRO 69 -12.315 6.738 -6.235 506 HG2 PRO 69 1HG PRO 69 -11.059 7.498 -3.626 507 HG3 PRO 69 2HG PRO 69 -11.126 5.911 -4.415 508 HD2 PRO 69 1HD PRO 69 -8.931 7.494 -4.510 509 HD3 PRO 69 2HD PRO 69 -9.381 6.405 -5.838 510 H SER 70 H SER 70 -13.364 10.235 -6.678 511 HA SER 70 HA SER 70 -12.493 12.480 -5.131 512 HB2 SER 70 1HB SER 70 -15.211 11.985 -6.369 513 HB3 SER 70 2HB SER 70 -14.560 13.539 -5.846 514 HG SER 70 HG SER 70 -12.770 12.807 -7.444 515 H SER 71 H SER 71 -12.311 11.779 -3.002 516 HA SER 71 HA SER 71 -14.377 10.429 -1.605 517 HB2 SER 71 1HB SER 71 -12.094 10.300 -0.807 518 HB3 SER 71 2HB SER 71 -12.028 12.049 -0.595 519 HG SER 71 HG SER 71 -14.047 10.649 0.728 520 H GLY 72 H GLY 72 -16.278 11.221 -1.016 521 HA2 GLY 72 1HA GLY 72 -16.462 13.862 0.169 522 HA3 GLY 72 2HA GLY 72 -17.320 13.675 -1.353 Start of MODEL 5 1 H1 GLY 1 H GLY 1 0.069 31.155 6.311 2 HA2 GLY 1 1HA GLY 1 2.869 30.918 5.925 3 HA3 GLY 1 2HA GLY 1 1.785 29.631 6.432 4 H SER 2 H SER 2 1.269 28.060 5.018 5 HA SER 2 HA SER 2 1.433 26.743 3.168 6 HB2 SER 2 1HB SER 2 0.974 29.420 1.834 7 HB3 SER 2 2HB SER 2 0.902 27.871 0.994 8 HG SER 2 HG SER 2 -0.676 27.391 2.845 9 H SER 3 H SER 3 3.883 27.415 4.247 10 HA SER 3 HA SER 3 5.574 27.810 1.866 11 HB2 SER 3 1HB SER 3 7.341 28.574 3.405 12 HB3 SER 3 2HB SER 3 5.889 29.565 3.553 13 HG SER 3 HG SER 3 5.518 28.768 5.505 14 H GLY 4 H GLY 4 5.646 25.655 1.233 15 HA2 GLY 4 1HA GLY 4 7.682 24.069 2.276 16 HA3 GLY 4 2HA GLY 4 6.181 23.499 2.990 17 H SER 5 H SER 5 6.132 21.524 1.980 18 HA SER 5 HA SER 5 5.636 21.613 -0.919 19 HB2 SER 5 1HB SER 5 7.295 19.574 0.581 20 HB3 SER 5 2HB SER 5 6.769 19.383 -1.091 21 HG SER 5 HG SER 5 8.563 20.408 -1.499 22 H SER 6 H SER 6 3.759 20.742 -1.491 23 HA SER 6 HA SER 6 1.811 19.888 0.230 24 HB2 SER 6 1HB SER 6 2.287 19.427 -2.688 25 HB3 SER 6 2HB SER 6 0.965 18.571 -1.895 26 HG SER 6 HG SER 6 0.332 20.607 -2.782 27 H GLY 7 H GLY 7 1.892 18.291 1.666 28 HA2 GLY 7 1HA GLY 7 3.143 15.744 0.845 29 HA3 GLY 7 2HA GLY 7 3.127 16.343 2.497 30 H GLU 8 H GLU 8 1.417 14.602 0.074 31 HA GLU 8 HA GLU 8 -0.681 13.991 2.044 32 HB2 GLU 8 1HB GLU 8 -1.067 14.470 -0.915 33 HB3 GLU 8 2HB GLU 8 -2.301 13.823 0.157 34 HG2 GLU 8 1HG GLU 8 -1.945 15.962 1.527 35 HG3 GLU 8 2HG GLU 8 -1.126 16.573 0.091 36 HA PRO 9 HA PRO 9 0.204 9.760 1.279 37 HB2 PRO 9 1HB PRO 9 -2.233 8.638 1.693 38 HB3 PRO 9 2HB PRO 9 -1.233 9.276 3.004 39 HG2 PRO 9 1HG PRO 9 -3.553 10.546 1.602 40 HG3 PRO 9 2HG PRO 9 -3.173 10.515 3.334 41 HD2 PRO 9 1HD PRO 9 -2.651 12.660 1.765 42 HD3 PRO 9 2HD PRO 9 -1.636 12.223 3.155 43 H ILE 10 H ILE 10 -0.275 7.938 -0.118 44 HA ILE 10 HA ILE 10 -1.570 8.780 -2.626 45 HB ILE 10 HB ILE 10 0.569 6.679 -2.259 46 HG12 ILE 10 1HG1 ILE 10 0.816 9.409 -3.532 47 HG13 ILE 10 2HG1 ILE 10 1.302 9.058 -1.877 48 HG21 ILE 10 1HG2 ILE 10 -0.377 7.884 -4.842 49 HG22 ILE 10 2HG2 ILE 10 0.604 6.440 -4.596 50 HG23 ILE 10 3HG2 ILE 10 -1.105 6.430 -4.160 51 HD11 ILE 10 1HD1 ILE 10 3.283 8.907 -3.046 52 HD12 ILE 10 2HD1 ILE 10 2.765 7.223 -2.951 53 HD13 ILE 10 3HD1 ILE 10 2.522 8.137 -4.439 54 H GLU 11 H GLU 11 -3.460 7.854 -3.017 55 HA GLU 11 HA GLU 11 -4.342 5.542 -1.567 56 HB2 GLU 11 1HB GLU 11 -5.545 7.359 -3.616 57 HB3 GLU 11 2HB GLU 11 -6.309 5.808 -3.297 58 HG2 GLU 11 1HG GLU 11 -6.960 6.399 -1.193 59 HG3 GLU 11 2HG GLU 11 -5.634 7.540 -0.983 60 H ALA 12 H ALA 12 -3.753 3.547 -2.075 61 HA ALA 12 HA ALA 12 -3.304 2.886 -4.912 62 HB1 ALA 12 1HB ALA 12 -1.977 0.929 -3.885 63 HB2 ALA 12 2HB ALA 12 -1.258 2.540 -3.863 64 HB3 ALA 12 3HB ALA 12 -2.004 1.887 -2.405 65 H ILE 13 H ILE 13 -3.894 0.715 -5.591 66 HA ILE 13 HA ILE 13 -6.195 -0.331 -4.073 67 HB ILE 13 HB ILE 13 -5.761 -0.399 -7.061 68 HG12 ILE 13 1HG1 ILE 13 -6.363 1.829 -6.345 69 HG13 ILE 13 2HG1 ILE 13 -7.769 1.085 -7.098 70 HG21 ILE 13 1HG2 ILE 13 -7.578 -1.735 -7.288 71 HG22 ILE 13 2HG2 ILE 13 -7.071 -2.275 -5.688 72 HG23 ILE 13 3HG2 ILE 13 -8.368 -1.091 -5.849 73 HD11 ILE 13 1HD1 ILE 13 -8.078 0.440 -4.449 74 HD12 ILE 13 2HD1 ILE 13 -7.402 2.068 -4.394 75 HD13 ILE 13 3HD1 ILE 13 -8.882 1.759 -5.300 76 H ALA 14 H ALA 14 -6.133 -2.395 -3.447 77 HA ALA 14 HA ALA 14 -3.791 -3.951 -3.766 78 HB1 ALA 14 1HB ALA 14 -5.268 -4.095 -1.801 79 HB2 ALA 14 2HB ALA 14 -6.506 -4.846 -2.808 80 HB3 ALA 14 3HB ALA 14 -4.971 -5.670 -2.538 81 H LYS 15 H LYS 15 -3.190 -5.035 -5.512 82 HA LYS 15 HA LYS 15 -4.946 -5.569 -7.686 83 HB2 LYS 15 1HB LYS 15 -2.085 -6.056 -7.064 84 HB3 LYS 15 2HB LYS 15 -2.815 -7.093 -8.282 85 HG2 LYS 15 1HG LYS 15 -3.664 -4.766 -9.220 86 HG3 LYS 15 2HG LYS 15 -2.236 -4.188 -8.358 87 HD2 LYS 15 1HD LYS 15 -2.242 -6.411 -10.400 88 HD3 LYS 15 2HD LYS 15 -1.779 -4.739 -10.726 89 HE2 LYS 15 1HE LYS 15 -0.443 -6.155 -8.479 90 HE3 LYS 15 2HE LYS 15 0.009 -6.599 -10.124 91 HZ1 LYS 15 1HZ LYS 15 -0.026 -3.781 -9.226 92 HZ2 LYS 15 2HZ LYS 15 0.756 -4.446 -10.570 93 HZ3 LYS 15 3HZ LYS 15 1.334 -4.765 -9.012 94 H PHE 16 H PHE 16 -3.532 -7.552 -5.125 95 HA PHE 16 HA PHE 16 -5.575 -9.577 -5.636 96 HB2 PHE 16 1HB PHE 16 -2.775 -10.509 -5.121 97 HB3 PHE 16 2HB PHE 16 -4.115 -11.371 -5.870 98 HD1 PHE 16 2HD PHE 16 -4.730 -10.909 -8.208 99 HD2 PHE 16 1HD PHE 16 -1.305 -9.146 -6.397 100 HE1 PHE 16 2HE PHE 16 -3.854 -10.334 -10.433 101 HE2 PHE 16 1HE PHE 16 -0.423 -8.568 -8.621 102 HZ PHE 16 HZ PHE 16 -1.697 -9.163 -10.642 103 H ASP 17 H ASP 17 -6.097 -10.858 -3.835 104 HA ASP 17 HA ASP 17 -5.977 -9.591 -1.350 105 HB2 ASP 17 1HB ASP 17 -6.623 -11.991 -0.519 106 HB3 ASP 17 2HB ASP 17 -7.744 -11.079 -1.526 107 H TYR 18 H TYR 18 -4.107 -9.173 -0.349 108 HA TYR 18 HA TYR 18 -2.102 -11.318 -0.166 109 HB2 TYR 18 1HB TYR 18 -1.404 -9.129 -1.176 110 HB3 TYR 18 2HB TYR 18 -1.708 -8.371 0.383 111 HD1 TYR 18 1HD TYR 18 0.455 -10.726 -1.441 112 HD2 TYR 18 2HD TYR 18 -0.175 -8.634 2.210 113 HE1 TYR 18 1HE TYR 18 2.738 -11.299 -0.727 114 HE2 TYR 18 2HE TYR 18 2.107 -9.199 2.934 115 HH TYR 18 HH TYR 18 4.454 -9.959 1.195 116 H VAL 19 H VAL 19 -1.122 -11.787 1.835 117 HA VAL 19 HA VAL 19 -2.546 -10.772 4.205 118 HB VAL 19 HB VAL 19 -3.392 -12.995 3.786 119 HG11 VAL 19 1HG1 VAL 19 -2.149 -14.836 3.259 120 HG12 VAL 19 2HG1 VAL 19 -1.126 -13.582 2.555 121 HG13 VAL 19 3HG1 VAL 19 -0.727 -14.263 4.132 122 HG21 VAL 19 1HG2 VAL 19 -2.754 -14.097 5.887 123 HG22 VAL 19 2HG2 VAL 19 -1.397 -12.982 6.050 124 HG23 VAL 19 3HG2 VAL 19 -3.052 -12.373 6.111 125 H GLY 20 H GLY 20 -1.183 -9.762 5.516 126 HA2 GLY 20 1HA GLY 20 1.578 -9.682 5.260 127 HA3 GLY 20 2HA GLY 20 0.703 -9.256 6.723 128 H ARG 21 H ARG 21 2.844 -11.440 5.284 129 HA ARG 21 HA ARG 21 2.400 -13.809 6.665 130 HB2 ARG 21 1HB ARG 21 4.821 -12.516 5.482 131 HB3 ARG 21 2HB ARG 21 5.027 -13.950 6.479 132 HG2 ARG 21 1HG ARG 21 3.592 -15.223 5.013 133 HG3 ARG 21 2HG ARG 21 3.255 -13.782 4.051 134 HD2 ARG 21 1HD ARG 21 4.896 -14.948 2.844 135 HD3 ARG 21 2HD ARG 21 5.766 -13.651 3.662 136 HE ARG 21 HE ARG 21 5.723 -16.127 5.125 137 HH11 ARG 21 2HH1 ARG 21 7.365 -14.264 2.685 138 HH12 ARG 21 1HH1 ARG 21 8.880 -15.077 2.898 139 HH21 ARG 21 2HH2 ARG 21 7.712 -17.205 5.415 140 HH22 ARG 21 1HH2 ARG 21 9.076 -16.750 4.451 141 H THR 22 H THR 22 4.125 -10.897 7.662 142 HA THR 22 HA THR 22 4.247 -11.997 10.395 143 HB THR 22 HB THR 22 6.293 -10.708 10.788 144 HG1 THR 22 1HG THR 22 7.096 -9.377 9.304 145 HG21 THR 22 1HG2 THR 22 6.394 -13.055 9.926 146 HG22 THR 22 2HG2 THR 22 7.815 -12.083 9.543 147 HG23 THR 22 3HG2 THR 22 6.598 -12.395 8.305 148 H ALA 23 H ALA 23 4.604 -10.121 12.024 149 HA ALA 23 HA ALA 23 2.329 -8.536 12.083 150 HB1 ALA 23 1HB ALA 23 3.189 -7.551 14.017 151 HB2 ALA 23 2HB ALA 23 3.943 -9.146 13.980 152 HB3 ALA 23 3HB ALA 23 4.858 -7.725 13.476 153 H ARG 24 H ARG 24 5.607 -7.705 11.016 154 HA ARG 24 HA ARG 24 5.261 -4.986 10.584 155 HB2 ARG 24 1HB ARG 24 6.972 -7.005 9.134 156 HB3 ARG 24 2HB ARG 24 7.060 -5.277 8.822 157 HG2 ARG 24 1HG ARG 24 7.402 -5.165 11.431 158 HG3 ARG 24 2HG ARG 24 7.949 -6.826 11.193 159 HD2 ARG 24 1HD ARG 24 9.413 -5.855 9.317 160 HD3 ARG 24 2HD ARG 24 9.078 -4.290 10.056 161 HE ARG 24 HE ARG 24 10.559 -4.814 11.708 162 HH11 ARG 24 2HH1 ARG 24 9.556 -7.755 10.138 163 HH12 ARG 24 1HH1 ARG 24 10.666 -8.755 11.015 164 HH21 ARG 24 2HH2 ARG 24 12.025 -6.121 12.868 165 HH22 ARG 24 1HH2 ARG 24 12.070 -7.825 12.568 166 H GLU 25 H GLU 25 4.813 -7.648 8.257 167 HA GLU 25 HA GLU 25 3.905 -6.032 6.138 168 HB2 GLU 25 1HB GLU 25 3.397 -8.954 6.719 169 HB3 GLU 25 2HB GLU 25 3.003 -8.159 5.201 170 HG2 GLU 25 1HG GLU 25 5.313 -7.724 4.756 171 HG3 GLU 25 2HG GLU 25 5.777 -8.310 6.352 172 H LEU 26 H LEU 26 1.634 -6.420 5.162 173 HA LEU 26 HA LEU 26 -0.389 -6.230 7.294 174 HB2 LEU 26 1HB LEU 26 -0.242 -4.576 4.777 175 HB3 LEU 26 2HB LEU 26 -1.548 -4.529 5.959 176 HG LEU 26 HG LEU 26 1.310 -3.744 6.527 177 HD11 LEU 26 1HD1 LEU 26 -0.757 -1.679 6.561 178 HD12 LEU 26 2HD1 LEU 26 -0.444 -2.354 4.963 179 HD13 LEU 26 3HD1 LEU 26 0.875 -1.645 5.893 180 HD21 LEU 26 1HD2 LEU 26 0.661 -3.947 8.647 181 HD22 LEU 26 2HD2 LEU 26 -1.021 -4.211 8.185 182 HD23 LEU 26 3HD2 LEU 26 -0.401 -2.568 8.361 183 H SER 27 H SER 27 -2.458 -7.009 6.803 184 HA SER 27 HA SER 27 -2.543 -8.788 4.459 185 HB2 SER 27 1HB SER 27 -3.986 -10.244 5.689 186 HB3 SER 27 2HB SER 27 -2.654 -9.829 6.768 187 HG SER 27 HG SER 27 -4.018 -8.289 7.747 188 H PHE 28 H PHE 28 -3.789 -8.100 2.863 189 HA PHE 28 HA PHE 28 -6.317 -6.755 3.517 190 HB2 PHE 28 1HB PHE 28 -5.905 -5.316 1.447 191 HB3 PHE 28 2HB PHE 28 -4.954 -4.932 2.878 192 HD1 PHE 28 1HD PHE 28 -4.862 -6.513 -0.447 193 HD2 PHE 28 2HD PHE 28 -2.593 -5.128 2.877 194 HE1 PHE 28 1HE PHE 28 -2.798 -6.739 -1.766 195 HE2 PHE 28 2HE PHE 28 -0.525 -5.351 1.563 196 HZ PHE 28 HZ PHE 28 -0.625 -6.156 -0.762 197 H LYS 29 H LYS 29 -7.634 -6.534 1.348 198 HA LYS 29 HA LYS 29 -7.456 -9.118 -0.059 199 HB2 LYS 29 1HB LYS 29 -9.902 -7.590 0.836 200 HB3 LYS 29 2HB LYS 29 -9.962 -8.940 -0.290 201 HG2 LYS 29 1HG LYS 29 -8.697 -9.239 2.406 202 HG3 LYS 29 2HG LYS 29 -10.443 -9.382 2.192 203 HD2 LYS 29 1HD LYS 29 -10.265 -11.308 0.937 204 HD3 LYS 29 2HD LYS 29 -8.622 -10.938 0.410 205 HE2 LYS 29 1HE LYS 29 -8.251 -12.641 1.916 206 HE3 LYS 29 2HE LYS 29 -8.048 -11.218 2.937 207 HZ1 LYS 29 1HZ LYS 29 -9.552 -13.198 3.685 208 HZ2 LYS 29 2HZ LYS 29 -10.712 -12.427 2.725 209 HZ3 LYS 29 3HZ LYS 29 -10.004 -11.603 4.022 210 H LYS 30 H LYS 30 -8.195 -9.153 -2.252 211 HA LYS 30 HA LYS 30 -7.223 -7.142 -3.868 212 HB2 LYS 30 1HB LYS 30 -7.689 -9.377 -4.708 213 HB3 LYS 30 2HB LYS 30 -9.415 -9.135 -4.470 214 HG2 LYS 30 1HG LYS 30 -9.560 -7.610 -6.240 215 HG3 LYS 30 2HG LYS 30 -7.812 -7.373 -6.292 216 HD2 LYS 30 1HD LYS 30 -7.527 -9.681 -7.063 217 HD3 LYS 30 2HD LYS 30 -9.276 -9.913 -7.015 218 HE2 LYS 30 1HE LYS 30 -8.133 -7.663 -8.611 219 HE3 LYS 30 2HE LYS 30 -8.072 -9.301 -9.259 220 HZ1 LYS 30 1HZ LYS 30 -10.519 -7.847 -8.410 221 HZ2 LYS 30 2HZ LYS 30 -10.483 -9.442 -8.972 222 HZ3 LYS 30 3HZ LYS 30 -10.054 -8.173 -10.004 223 H GLY 31 H GLY 31 -7.984 -5.272 -4.707 224 HA2 GLY 31 1HA GLY 31 -9.543 -3.647 -5.309 225 HA3 GLY 31 2HA GLY 31 -10.812 -4.639 -4.607 226 H ALA 32 H ALA 32 -9.136 -4.865 -2.097 227 HA ALA 32 HA ALA 32 -10.395 -2.899 -0.585 228 HB1 ALA 32 1HB ALA 32 -9.418 -4.982 0.322 229 HB2 ALA 32 2HB ALA 32 -7.810 -4.292 0.100 230 HB3 ALA 32 3HB ALA 32 -8.942 -3.545 1.227 231 H SER 33 H SER 33 -10.037 -0.802 -0.275 232 HA SER 33 HA SER 33 -7.936 0.545 -1.657 233 HB2 SER 33 1HB SER 33 -10.045 1.673 -1.423 234 HB3 SER 33 2HB SER 33 -9.999 1.511 0.333 235 HG SER 33 HG SER 33 -8.675 3.160 0.459 236 H LEU 34 H LEU 34 -5.964 1.068 -0.975 237 HA LEU 34 HA LEU 34 -5.397 0.931 1.912 238 HB2 LEU 34 1HB LEU 34 -3.475 0.183 -0.281 239 HB3 LEU 34 2HB LEU 34 -3.245 -0.010 1.456 240 HG LEU 34 HG LEU 34 -5.486 -1.456 0.114 241 HD11 LEU 34 1HD1 LEU 34 -2.630 -2.417 0.144 242 HD12 LEU 34 2HD1 LEU 34 -3.500 -1.862 -1.286 243 HD13 LEU 34 3HD1 LEU 34 -4.038 -3.309 -0.433 244 HD21 LEU 34 1HD2 LEU 34 -5.530 -2.677 2.003 245 HD22 LEU 34 2HD2 LEU 34 -4.674 -1.295 2.688 246 HD23 LEU 34 3HD2 LEU 34 -3.772 -2.712 2.148 247 H LEU 35 H LEU 35 -4.148 2.527 2.780 248 HA LEU 35 HA LEU 35 -3.571 4.800 1.022 249 HB2 LEU 35 1HB LEU 35 -4.929 4.805 3.300 250 HB3 LEU 35 2HB LEU 35 -3.311 4.981 3.976 251 HG LEU 35 HG LEU 35 -3.038 6.995 2.471 252 HD11 LEU 35 1HD1 LEU 35 -4.808 6.529 0.890 253 HD12 LEU 35 2HD1 LEU 35 -5.119 8.060 1.706 254 HD13 LEU 35 3HD1 LEU 35 -6.014 6.614 2.173 255 HD21 LEU 35 1HD2 LEU 35 -3.415 8.041 4.389 256 HD22 LEU 35 2HD2 LEU 35 -4.382 6.684 4.964 257 HD23 LEU 35 3HD2 LEU 35 -5.148 7.995 4.066 258 H LEU 36 H LEU 36 -1.553 5.371 0.533 259 HA LEU 36 HA LEU 36 0.645 4.013 1.934 260 HB2 LEU 36 1HB LEU 36 0.712 5.375 -0.751 261 HB3 LEU 36 2HB LEU 36 1.976 4.377 -0.036 262 HG LEU 36 HG LEU 36 -0.692 3.479 -1.107 263 HD11 LEU 36 1HD1 LEU 36 1.155 1.931 -2.276 264 HD12 LEU 36 2HD1 LEU 36 2.112 3.391 -2.026 265 HD13 LEU 36 3HD1 LEU 36 0.612 3.467 -2.951 266 HD21 LEU 36 1HD2 LEU 36 -0.451 2.148 0.794 267 HD22 LEU 36 2HD2 LEU 36 1.301 2.053 0.622 268 HD23 LEU 36 3HD2 LEU 36 0.256 1.175 -0.495 269 H TYR 37 H TYR 37 2.272 5.144 2.879 270 HA TYR 37 HA TYR 37 1.956 8.070 2.949 271 HB2 TYR 37 1HB TYR 37 3.241 6.230 4.979 272 HB3 TYR 37 2HB TYR 37 3.116 7.980 5.125 273 HD1 TYR 37 1HD TYR 37 0.430 8.631 4.418 274 HD2 TYR 37 2HD TYR 37 1.855 5.215 6.516 275 HE1 TYR 37 1HE TYR 37 -1.766 8.387 5.498 276 HE2 TYR 37 2HE TYR 37 -0.337 4.961 7.602 277 HH TYR 37 HH TYR 37 -3.028 7.152 6.846 278 H GLN 38 H GLN 38 4.427 5.511 2.989 279 HA GLN 38 HA GLN 38 6.128 7.127 1.287 280 HB2 GLN 38 1HB GLN 38 6.709 6.588 4.150 281 HB3 GLN 38 2HB GLN 38 8.050 6.440 3.021 282 HG2 GLN 38 1HG GLN 38 6.344 8.877 2.924 283 HG3 GLN 38 2HG GLN 38 7.533 8.707 4.215 284 HE21 GLN 38 1HE2 GLN 38 7.688 10.741 2.373 285 HE22 GLN 38 2HE2 GLN 38 9.068 10.499 1.364 286 H ARG 39 H ARG 39 8.129 5.892 0.652 287 HA ARG 39 HA ARG 39 7.401 3.076 0.279 288 HB2 ARG 39 1HB ARG 39 7.800 4.448 -1.743 289 HB3 ARG 39 2HB ARG 39 9.446 4.743 -1.197 290 HG2 ARG 39 1HG ARG 39 9.837 3.025 -2.622 291 HG3 ARG 39 2HG ARG 39 9.516 2.099 -1.155 292 HD2 ARG 39 1HD ARG 39 7.360 1.526 -1.846 293 HD3 ARG 39 2HD ARG 39 7.307 2.813 -3.051 294 HE ARG 39 HE ARG 39 8.432 0.181 -3.366 295 HH11 ARG 39 2HH1 ARG 39 8.427 3.465 -4.520 296 HH12 ARG 39 1HH1 ARG 39 9.017 3.051 -6.095 297 HH21 ARG 39 2HH2 ARG 39 9.209 -0.378 -5.436 298 HH22 ARG 39 1HH2 ARG 39 9.460 0.864 -6.616 299 H ALA 40 H ALA 40 8.228 1.836 1.846 300 HA ALA 40 HA ALA 40 10.631 2.433 3.245 301 HB1 ALA 40 1HB ALA 40 8.593 0.320 3.294 302 HB2 ALA 40 2HB ALA 40 10.206 -0.188 3.793 303 HB3 ALA 40 3HB ALA 40 9.407 1.147 4.622 304 H SER 41 H SER 41 9.817 0.291 0.566 305 HA SER 41 HA SER 41 12.605 0.152 -0.189 306 HB2 SER 41 1HB SER 41 12.001 -1.771 1.499 307 HB3 SER 41 2HB SER 41 11.235 -2.499 0.088 308 HG SER 41 HG SER 41 13.820 -1.514 -0.227 309 H ASP 42 H ASP 42 12.808 -1.288 -2.227 310 HA ASP 42 HA ASP 42 11.066 -0.239 -4.188 311 HB2 ASP 42 1HB ASP 42 12.828 -2.650 -4.595 312 HB3 ASP 42 2HB ASP 42 12.359 -1.427 -5.773 313 H ASP 43 H ASP 43 10.975 -3.102 -2.259 314 HA ASP 43 HA ASP 43 8.634 -4.037 -3.787 315 HB2 ASP 43 1HB ASP 43 10.831 -5.480 -3.680 316 HB3 ASP 43 2HB ASP 43 10.229 -5.908 -2.081 317 H TRP 44 H TRP 44 8.858 -2.161 -1.488 318 HA TRP 44 HA TRP 44 6.780 -3.371 0.125 319 HB2 TRP 44 1HB TRP 44 9.458 -2.590 1.277 320 HB3 TRP 44 2HB TRP 44 8.005 -2.730 2.262 321 HD1 TRP 44 HD TRP 44 10.879 -4.708 1.218 322 HE1 TRP 44 1HE TRP 44 10.468 -7.223 1.580 323 HE3 TRP 44 3HE TRP 44 5.818 -4.608 1.935 324 HZ2 TRP 44 2HZ TRP 44 8.286 -8.937 2.100 325 HZ3 TRP 44 3HZ TRP 44 4.645 -6.729 2.359 326 HH2 TRP 44 HH TRP 44 5.855 -8.848 2.438 327 H TRP 45 H TRP 45 5.663 -1.833 1.465 328 HA TRP 45 HA TRP 45 6.282 0.982 0.919 329 HB2 TRP 45 1HB TRP 45 3.749 -0.478 0.276 330 HB3 TRP 45 2HB TRP 45 3.665 1.215 0.755 331 HD1 TRP 45 HD TRP 45 5.079 -1.028 -2.032 332 HE1 TRP 45 1HE TRP 45 5.489 0.427 -4.114 333 HE3 TRP 45 3HE TRP 45 4.071 3.564 -0.023 334 HZ2 TRP 45 2HZ TRP 45 5.397 3.161 -4.813 335 HZ3 TRP 45 3HZ TRP 45 4.256 5.548 -1.466 336 HH2 TRP 45 HH TRP 45 4.906 5.349 -3.811 337 H GLU 46 H GLU 46 5.231 2.480 2.401 338 HA GLU 46 HA GLU 46 4.613 1.212 4.989 339 HB2 GLU 46 1HB GLU 46 5.965 3.865 4.465 340 HB3 GLU 46 2HB GLU 46 5.541 3.243 6.054 341 HG2 GLU 46 1HG GLU 46 6.990 1.189 5.227 342 HG3 GLU 46 2HG GLU 46 7.719 2.435 4.216 343 H GLY 47 H GLY 47 2.388 1.191 4.770 344 HA2 GLY 47 1HA GLY 47 1.128 3.859 4.807 345 HA3 GLY 47 2HA GLY 47 0.464 2.567 3.817 346 H ARG 48 H ARG 48 -1.519 2.797 4.975 347 HA ARG 48 HA ARG 48 -1.466 1.391 7.555 348 HB2 ARG 48 1HB ARG 48 -1.817 3.634 8.214 349 HB3 ARG 48 2HB ARG 48 -2.917 3.939 6.877 350 HG2 ARG 48 1HG ARG 48 -4.574 2.464 7.899 351 HG3 ARG 48 2HG ARG 48 -3.469 2.157 9.240 352 HD2 ARG 48 1HD ARG 48 -4.560 4.861 8.469 353 HD3 ARG 48 2HD ARG 48 -5.179 3.853 9.776 354 HE ARG 48 HE ARG 48 -2.408 4.297 10.111 355 HH11 ARG 48 2HH1 ARG 48 -5.485 5.905 10.376 356 HH12 ARG 48 1HH1 ARG 48 -4.948 7.012 11.596 357 HH21 ARG 48 2HH2 ARG 48 -1.690 5.749 11.717 358 HH22 ARG 48 1HH2 ARG 48 -2.790 6.923 12.357 359 H HIS 49 H HIS 49 -3.205 0.033 7.966 360 HA HIS 49 HA HIS 49 -5.212 -0.245 5.840 361 HB2 HIS 49 1HB HIS 49 -3.533 -1.926 5.364 362 HB3 HIS 49 2HB HIS 49 -3.568 -2.486 7.033 363 HD1 HIS 49 1HD HIS 49 -4.853 -4.569 7.295 364 HD2 HIS 49 2HD HIS 49 -6.342 -2.231 4.201 365 HE1 HIS 49 1HE HIS 49 -6.767 -5.879 6.325 366 HE2 HIS 49 2HE HIS 49 -7.599 -4.483 4.400 367 H ASN 50 H ASN 50 -6.959 0.419 6.967 368 HA ASN 50 HA ASN 50 -8.665 0.403 8.472 369 HB2 ASN 50 1HB ASN 50 -8.694 -2.019 7.815 370 HB3 ASN 50 2HB ASN 50 -7.674 -2.357 9.211 371 HD21 ASN 50 1HD2 ASN 50 -10.580 -0.410 8.593 372 HD22 ASN 50 2HD2 ASN 50 -11.491 -1.046 9.916 373 H GLY 51 H GLY 51 -6.034 1.399 9.260 374 HA2 GLY 51 1HA GLY 51 -5.555 2.554 11.275 375 HA3 GLY 51 2HA GLY 51 -6.481 1.348 12.156 376 H ILE 52 H ILE 52 -4.742 -0.475 10.154 377 HA ILE 52 HA ILE 52 -2.631 -0.868 12.152 378 HB ILE 52 HB ILE 52 -3.558 -2.705 9.941 379 HG12 ILE 52 1HG1 ILE 52 -4.131 -4.049 12.169 380 HG13 ILE 52 2HG1 ILE 52 -4.243 -2.421 12.829 381 HG21 ILE 52 1HG2 ILE 52 -1.617 -3.750 10.209 382 HG22 ILE 52 2HG2 ILE 52 -1.165 -2.681 11.536 383 HG23 ILE 52 3HG2 ILE 52 -2.112 -4.133 11.858 384 HD11 ILE 52 1HD1 ILE 52 -5.997 -1.847 11.370 385 HD12 ILE 52 2HD1 ILE 52 -5.733 -3.276 10.370 386 HD13 ILE 52 3HD1 ILE 52 -6.386 -3.448 11.999 387 H ASP 53 H ASP 53 -0.743 0.049 11.727 388 HA ASP 53 HA ASP 53 0.018 0.607 8.964 389 HB2 ASP 53 1HB ASP 53 1.666 2.093 9.856 390 HB3 ASP 53 2HB ASP 53 0.180 2.366 10.761 391 H GLY 54 H GLY 54 1.514 -0.517 7.883 392 HA2 GLY 54 1HA GLY 54 3.628 -1.933 9.246 393 HA3 GLY 54 2HA GLY 54 2.422 -2.989 8.526 394 H LEU 55 H LEU 55 3.550 -3.884 6.884 395 HA LEU 55 HA LEU 55 4.769 -2.042 4.934 396 HB2 LEU 55 1HB LEU 55 5.471 -4.876 5.661 397 HB3 LEU 55 2HB LEU 55 6.096 -4.067 4.225 398 HG LEU 55 HG LEU 55 6.573 -3.192 7.074 399 HD11 LEU 55 1HD1 LEU 55 7.687 -5.319 6.429 400 HD12 LEU 55 2HD1 LEU 55 8.807 -4.009 6.802 401 HD13 LEU 55 3HD1 LEU 55 8.493 -4.449 5.123 402 HD21 LEU 55 1HD2 LEU 55 8.251 -1.698 6.023 403 HD22 LEU 55 2HD2 LEU 55 6.588 -1.299 5.593 404 HD23 LEU 55 3HD2 LEU 55 7.615 -2.155 4.442 405 H ILE 56 H ILE 56 4.128 -2.126 2.849 406 HA ILE 56 HA ILE 56 2.166 -4.202 2.121 407 HB ILE 56 HB ILE 56 2.186 -1.296 1.302 408 HG12 ILE 56 1HG1 ILE 56 -0.055 -2.770 2.658 409 HG13 ILE 56 2HG1 ILE 56 1.267 -2.088 3.599 410 HG21 ILE 56 1HG2 ILE 56 -0.145 -2.805 0.508 411 HG22 ILE 56 2HG2 ILE 56 0.910 -1.773 -0.456 412 HG23 ILE 56 3HG2 ILE 56 1.325 -3.468 -0.205 413 HD11 ILE 56 1HD1 ILE 56 0.554 0.023 3.310 414 HD12 ILE 56 2HD1 ILE 56 0.001 -0.273 1.661 415 HD13 ILE 56 3HD1 ILE 56 -0.994 -0.772 3.029 416 HA PRO 57 HA PRO 57 5.062 -5.161 -1.094 417 HB2 PRO 57 1HB PRO 57 3.465 -6.874 -2.468 418 HB3 PRO 57 2HB PRO 57 4.260 -7.310 -0.950 419 HG2 PRO 57 1HG PRO 57 1.439 -6.428 -1.425 420 HG3 PRO 57 2HG PRO 57 2.044 -7.727 -0.381 421 HD2 PRO 57 1HD PRO 57 1.324 -5.301 0.581 422 HD3 PRO 57 2HD PRO 57 2.621 -6.271 1.310 423 H HIS 58 H HIS 58 5.493 -4.434 -3.125 424 HA HIS 58 HA HIS 58 3.575 -2.602 -4.305 425 HB2 HIS 58 1HB HIS 58 5.936 -1.931 -4.081 426 HB3 HIS 58 2HB HIS 58 6.410 -3.262 -5.133 427 HD2 HIS 58 2HD HIS 58 5.661 -2.922 -7.872 428 HE1 HIS 58 1HE HIS 58 4.898 1.231 -7.460 429 HE2 HIS 58 2HE HIS 58 5.147 -0.688 -9.071 430 H GLN 59 H GLN 59 4.033 -5.825 -4.499 431 HA GLN 59 HA GLN 59 3.603 -6.034 -7.383 432 HB2 GLN 59 1HB GLN 59 4.316 -7.993 -5.228 433 HB3 GLN 59 2HB GLN 59 3.655 -8.563 -6.754 434 HG2 GLN 59 1HG GLN 59 6.001 -6.715 -6.722 435 HG3 GLN 59 2HG GLN 59 6.214 -8.441 -6.438 436 HE21 GLN 59 1HE2 GLN 59 6.861 -6.463 -8.686 437 HE22 GLN 59 2HE2 GLN 59 6.335 -7.290 -10.110 438 H TYR 60 H TYR 60 1.922 -6.272 -4.370 439 HA TYR 60 HA TYR 60 -0.448 -7.354 -5.735 440 HB2 TYR 60 1HB TYR 60 0.191 -7.203 -2.782 441 HB3 TYR 60 2HB TYR 60 -1.297 -7.852 -3.461 442 HD1 TYR 60 2HD TYR 60 2.392 -8.300 -3.915 443 HD2 TYR 60 1HD TYR 60 -1.430 -10.144 -3.610 444 HE1 TYR 60 2HE TYR 60 3.451 -10.512 -4.105 445 HE2 TYR 60 1HE TYR 60 -0.382 -12.361 -3.797 446 HH TYR 60 HH TYR 60 2.879 -12.890 -3.406 447 H ILE 61 H ILE 61 0.605 -4.530 -5.703 448 HA ILE 61 HA ILE 61 -1.951 -3.268 -5.177 449 HB ILE 61 HB ILE 61 -1.089 -1.505 -3.771 450 HG12 ILE 61 1HG1 ILE 61 1.323 -2.097 -2.784 451 HG13 ILE 61 2HG1 ILE 61 1.515 -2.817 -4.379 452 HG21 ILE 61 1HG2 ILE 61 -0.186 -4.106 -2.560 453 HG22 ILE 61 2HG2 ILE 61 -0.859 -2.699 -1.740 454 HG23 ILE 61 3HG2 ILE 61 -1.884 -3.686 -2.781 455 HD11 ILE 61 1HD1 ILE 61 0.583 -0.477 -5.157 456 HD12 ILE 61 2HD1 ILE 61 1.238 0.027 -3.598 457 HD13 ILE 61 3HD1 ILE 61 2.291 -0.726 -4.796 458 H VAL 62 H VAL 62 -2.135 -1.154 -6.121 459 HA VAL 62 HA VAL 62 -0.069 -0.600 -8.152 460 HB VAL 62 HB VAL 62 -3.053 -0.214 -8.430 461 HG11 VAL 62 1HG1 VAL 62 -2.721 0.838 -10.425 462 HG12 VAL 62 2HG1 VAL 62 -1.270 1.375 -9.577 463 HG13 VAL 62 3HG1 VAL 62 -1.179 0.034 -10.720 464 HG21 VAL 62 1HG2 VAL 62 -1.368 -2.474 -8.914 465 HG22 VAL 62 2HG2 VAL 62 -3.111 -2.320 -9.135 466 HG23 VAL 62 3HG2 VAL 62 -2.014 -1.883 -10.445 467 H VAL 63 H VAL 63 0.965 1.214 -7.664 468 HA VAL 63 HA VAL 63 -0.212 3.231 -5.979 469 HB VAL 63 HB VAL 63 2.439 3.174 -7.426 470 HG11 VAL 63 1HG1 VAL 63 2.464 4.938 -5.213 471 HG12 VAL 63 2HG1 VAL 63 2.678 5.322 -6.922 472 HG13 VAL 63 3HG1 VAL 63 1.066 5.348 -6.206 473 HG21 VAL 63 1HG2 VAL 63 1.484 2.142 -4.848 474 HG22 VAL 63 2HG2 VAL 63 2.867 1.650 -5.827 475 HG23 VAL 63 3HG2 VAL 63 2.990 3.058 -4.771 476 H GLN 64 H GLN 64 -1.791 4.403 -6.914 477 HA GLN 64 HA GLN 64 -1.894 5.115 -9.639 478 HB2 GLN 64 1HB GLN 64 -3.260 6.444 -7.292 479 HB3 GLN 64 2HB GLN 64 -3.705 6.631 -8.983 480 HG2 GLN 64 1HG GLN 64 -3.640 3.889 -7.849 481 HG3 GLN 64 2HG GLN 64 -4.963 4.956 -7.384 482 HE21 GLN 64 1HE2 GLN 64 -5.132 2.536 -8.905 483 HE22 GLN 64 2HE2 GLN 64 -5.779 2.952 -10.452 484 H ASP 65 H ASP 65 -0.184 6.200 -10.458 485 HA ASP 65 HA ASP 65 0.983 8.437 -9.034 486 HB2 ASP 65 1HB ASP 65 2.518 8.557 -10.979 487 HB3 ASP 65 2HB ASP 65 2.475 6.956 -10.246 488 H THR 66 H THR 66 1.339 10.519 -10.192 489 HA THR 66 HA THR 66 -1.172 11.566 -11.069 490 HB THR 66 HB THR 66 1.533 12.918 -11.093 491 HG1 THR 66 1HG THR 66 0.449 12.042 -9.013 492 HG21 THR 66 1HG2 THR 66 -0.256 13.987 -12.468 493 HG22 THR 66 2HG2 THR 66 0.308 14.988 -11.129 494 HG23 THR 66 3HG2 THR 66 -1.229 14.132 -11.005 495 H SER 67 H SER 67 -1.936 11.292 -13.054 496 HA SER 67 HA SER 67 -0.194 10.710 -15.277 497 HB2 SER 67 1HB SER 67 -2.209 10.354 -16.545 498 HB3 SER 67 2HB SER 67 -2.445 9.636 -14.951 499 HG SER 67 HG SER 67 -3.623 11.900 -16.084 500 H GLY 68 H GLY 68 0.440 12.048 -16.874 501 HA2 GLY 68 1HA GLY 68 0.696 13.966 -18.118 502 HA3 GLY 68 2HA GLY 68 -0.897 14.459 -17.564 503 HA PRO 69 HA PRO 69 2.416 17.210 -15.710 504 HB2 PRO 69 1HB PRO 69 1.434 19.541 -16.697 505 HB3 PRO 69 2HB PRO 69 2.594 18.539 -17.576 506 HG2 PRO 69 1HG PRO 69 -0.377 18.718 -17.893 507 HG3 PRO 69 2HG PRO 69 0.878 18.642 -19.143 508 HD2 PRO 69 1HD PRO 69 -0.580 16.481 -18.410 509 HD3 PRO 69 2HD PRO 69 1.106 16.356 -18.954 510 H SER 70 H SER 70 2.142 18.213 -13.782 511 HA SER 70 HA SER 70 -0.557 19.059 -13.001 512 HB2 SER 70 1HB SER 70 0.010 16.707 -12.164 513 HB3 SER 70 2HB SER 70 1.203 17.482 -11.124 514 HG SER 70 HG SER 70 -1.600 17.658 -11.063 515 H SER 71 H SER 71 -0.560 21.018 -12.123 516 HA SER 71 HA SER 71 1.759 22.562 -11.839 517 HB2 SER 71 1HB SER 71 0.278 24.217 -10.724 518 HB3 SER 71 2HB SER 71 -0.414 23.592 -12.221 519 HG SER 71 HG SER 71 -1.399 23.477 -9.721 520 H GLY 72 H GLY 72 2.710 23.488 -9.938 521 HA2 GLY 72 1HA GLY 72 3.300 23.542 -7.682 522 HA3 GLY 72 2HA GLY 72 2.131 22.268 -7.370 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -5.178 20.501 13.518 2 HA2 GLY 1 1HA GLY 1 -5.308 19.832 10.742 3 HA3 GLY 1 2HA GLY 1 -3.946 20.570 11.571 4 H SER 2 H SER 2 -2.674 19.169 10.151 5 HA SER 2 HA SER 2 -2.301 16.531 11.387 6 HB2 SER 2 1HB SER 2 -2.427 17.119 8.423 7 HB3 SER 2 2HB SER 2 -1.806 15.612 9.096 8 HG SER 2 HG SER 2 -3.866 15.108 8.846 9 H SER 3 H SER 3 -0.164 15.654 11.155 10 HA SER 3 HA SER 3 1.864 17.653 11.395 11 HB2 SER 3 1HB SER 3 1.678 15.317 12.556 12 HB3 SER 3 2HB SER 3 2.477 14.729 11.098 13 HG SER 3 HG SER 3 3.509 16.108 13.202 14 H GLY 4 H GLY 4 2.885 18.602 9.769 15 HA2 GLY 4 1HA GLY 4 4.029 18.873 7.788 16 HA3 GLY 4 2HA GLY 4 4.037 17.123 7.619 17 H SER 5 H SER 5 3.390 19.539 5.817 18 HA SER 5 HA SER 5 0.703 18.725 4.959 19 HB2 SER 5 1HB SER 5 2.334 21.212 4.588 20 HB3 SER 5 2HB SER 5 1.064 20.828 3.426 21 HG SER 5 HG SER 5 0.133 22.049 5.018 22 H SER 6 H SER 6 3.930 19.408 3.626 23 HA SER 6 HA SER 6 3.311 18.364 1.046 24 HB2 SER 6 1HB SER 6 5.191 20.034 1.778 25 HB3 SER 6 2HB SER 6 6.121 18.566 2.079 26 HG SER 6 HG SER 6 6.173 18.144 -0.018 27 H GLY 7 H GLY 7 3.229 16.314 0.414 28 HA2 GLY 7 1HA GLY 7 4.431 14.170 0.295 29 HA3 GLY 7 2HA GLY 7 4.669 14.302 2.031 30 H GLU 8 H GLU 8 1.663 15.084 0.397 31 HA GLU 8 HA GLU 8 0.002 13.717 2.104 32 HB2 GLU 8 1HB GLU 8 -1.727 14.002 0.516 33 HB3 GLU 8 2HB GLU 8 -0.636 15.360 0.277 34 HG2 GLU 8 1HG GLU 8 0.335 14.294 -1.655 35 HG3 GLU 8 2HG GLU 8 -0.643 12.852 -1.386 36 HA PRO 9 HA PRO 9 0.415 9.421 1.298 37 HB2 PRO 9 1HB PRO 9 -2.111 8.563 1.801 38 HB3 PRO 9 2HB PRO 9 -1.001 9.081 3.075 39 HG2 PRO 9 1HG PRO 9 -3.222 10.601 1.766 40 HG3 PRO 9 2HG PRO 9 -2.783 10.518 3.482 41 HD2 PRO 9 1HD PRO 9 -2.094 12.605 1.901 42 HD3 PRO 9 2HD PRO 9 -1.080 12.054 3.249 43 H ILE 10 H ILE 10 -0.037 7.795 -0.214 44 HA ILE 10 HA ILE 10 -1.512 8.722 -2.585 45 HB ILE 10 HB ILE 10 0.589 6.558 -2.467 46 HG12 ILE 10 1HG1 ILE 10 0.977 9.303 -3.635 47 HG13 ILE 10 2HG1 ILE 10 1.310 8.984 -1.936 48 HG21 ILE 10 1HG2 ILE 10 0.617 7.089 -4.977 49 HG22 ILE 10 2HG2 ILE 10 -0.733 6.149 -4.345 50 HG23 ILE 10 3HG2 ILE 10 -0.940 7.866 -4.689 51 HD11 ILE 10 1HD1 ILE 10 3.359 8.808 -3.096 52 HD12 ILE 10 2HD1 ILE 10 2.861 7.164 -2.694 53 HD13 ILE 10 3HD1 ILE 10 2.649 7.774 -4.335 54 H GLU 11 H GLU 11 -3.406 7.797 -2.960 55 HA GLU 11 HA GLU 11 -4.243 5.458 -1.522 56 HB2 GLU 11 1HB GLU 11 -5.520 7.332 -3.470 57 HB3 GLU 11 2HB GLU 11 -6.278 5.776 -3.163 58 HG2 GLU 11 1HG GLU 11 -6.833 6.308 -1.015 59 HG3 GLU 11 2HG GLU 11 -5.502 7.450 -0.836 60 H ALA 12 H ALA 12 -3.603 3.495 -2.102 61 HA ALA 12 HA ALA 12 -3.291 2.897 -4.969 62 HB1 ALA 12 1HB ALA 12 -1.255 2.266 -4.276 63 HB2 ALA 12 2HB ALA 12 -1.756 2.147 -2.588 64 HB3 ALA 12 3HB ALA 12 -2.079 0.817 -3.700 65 H ILE 13 H ILE 13 -3.867 0.695 -5.648 66 HA ILE 13 HA ILE 13 -6.197 -0.304 -4.147 67 HB ILE 13 HB ILE 13 -5.672 -0.409 -7.119 68 HG12 ILE 13 1HG1 ILE 13 -6.391 1.788 -6.438 69 HG13 ILE 13 2HG1 ILE 13 -7.752 0.981 -7.210 70 HG21 ILE 13 1HG2 ILE 13 -7.846 -1.475 -7.317 71 HG22 ILE 13 2HG2 ILE 13 -6.776 -2.444 -6.306 72 HG23 ILE 13 3HG2 ILE 13 -8.034 -1.456 -5.564 73 HD11 ILE 13 1HD1 ILE 13 -8.620 0.421 -4.957 74 HD12 ILE 13 2HD1 ILE 13 -7.318 1.389 -4.264 75 HD13 ILE 13 3HD1 ILE 13 -8.537 2.152 -5.285 76 H ALA 14 H ALA 14 -6.355 -2.448 -3.689 77 HA ALA 14 HA ALA 14 -3.961 -4.009 -3.787 78 HB1 ALA 14 1HB ALA 14 -5.719 -4.027 -1.953 79 HB2 ALA 14 2HB ALA 14 -6.682 -5.036 -3.034 80 HB3 ALA 14 3HB ALA 14 -5.104 -5.594 -2.480 81 H LYS 15 H LYS 15 -3.295 -5.229 -5.415 82 HA LYS 15 HA LYS 15 -4.989 -5.762 -7.674 83 HB2 LYS 15 1HB LYS 15 -2.124 -6.144 -6.994 84 HB3 LYS 15 2HB LYS 15 -2.797 -7.215 -8.217 85 HG2 LYS 15 1HG LYS 15 -3.706 -4.920 -9.184 86 HG3 LYS 15 2HG LYS 15 -2.306 -4.295 -8.308 87 HD2 LYS 15 1HD LYS 15 -2.112 -6.618 -10.208 88 HD3 LYS 15 2HD LYS 15 -1.947 -4.944 -10.744 89 HE2 LYS 15 1HE LYS 15 -0.318 -5.845 -8.425 90 HE3 LYS 15 2HE LYS 15 0.147 -6.403 -10.032 91 HZ1 LYS 15 1HZ LYS 15 1.309 -4.467 -9.918 92 HZ2 LYS 15 2HZ LYS 15 0.181 -3.695 -8.923 93 HZ3 LYS 15 3HZ LYS 15 -0.130 -3.868 -10.577 94 H PHE 16 H PHE 16 -3.601 -7.639 -5.029 95 HA PHE 16 HA PHE 16 -5.562 -9.733 -5.529 96 HB2 PHE 16 1HB PHE 16 -2.739 -10.611 -5.054 97 HB3 PHE 16 2HB PHE 16 -4.071 -11.493 -5.794 98 HD1 PHE 16 2HD PHE 16 -4.678 -11.099 -8.127 99 HD2 PHE 16 1HD PHE 16 -1.345 -9.150 -6.336 100 HE1 PHE 16 2HE PHE 16 -3.833 -10.502 -10.358 101 HE2 PHE 16 1HE PHE 16 -0.495 -8.548 -8.565 102 HZ PHE 16 HZ PHE 16 -1.739 -9.225 -10.580 103 H ASP 17 H ASP 17 -6.284 -10.692 -3.697 104 HA ASP 17 HA ASP 17 -6.095 -9.523 -1.247 105 HB2 ASP 17 1HB ASP 17 -6.641 -11.905 -0.345 106 HB3 ASP 17 2HB ASP 17 -7.785 -11.113 -1.425 107 H TYR 18 H TYR 18 -4.240 -8.981 -0.274 108 HA TYR 18 HA TYR 18 -2.107 -10.991 -0.080 109 HB2 TYR 18 1HB TYR 18 -1.407 -8.866 -1.041 110 HB3 TYR 18 2HB TYR 18 -2.035 -7.998 0.355 111 HD1 TYR 18 1HD TYR 18 0.421 -10.673 -0.511 112 HD2 TYR 18 2HD TYR 18 -0.588 -7.454 2.080 113 HE1 TYR 18 1HE TYR 18 2.607 -10.888 0.596 114 HE2 TYR 18 2HE TYR 18 1.595 -7.658 3.194 115 HH TYR 18 HH TYR 18 4.155 -9.314 1.933 116 H VAL 19 H VAL 19 -1.174 -11.517 1.900 117 HA VAL 19 HA VAL 19 -2.600 -10.576 4.298 118 HB VAL 19 HB VAL 19 -3.460 -12.781 3.821 119 HG11 VAL 19 1HG1 VAL 19 -2.256 -14.539 3.093 120 HG12 VAL 19 2HG1 VAL 19 -1.075 -13.304 2.653 121 HG13 VAL 19 3HG1 VAL 19 -0.903 -14.190 4.168 122 HG21 VAL 19 1HG2 VAL 19 -2.590 -14.004 5.879 123 HG22 VAL 19 2HG2 VAL 19 -1.519 -12.623 6.111 124 HG23 VAL 19 3HG2 VAL 19 -3.267 -12.396 6.134 125 H GLY 20 H GLY 20 -1.140 -9.426 5.396 126 HA2 GLY 20 1HA GLY 20 1.573 -9.394 5.214 127 HA3 GLY 20 2HA GLY 20 0.718 -9.042 6.709 128 H ARG 21 H ARG 21 2.739 -11.243 5.043 129 HA ARG 21 HA ARG 21 2.370 -13.627 6.385 130 HB2 ARG 21 1HB ARG 21 5.031 -12.442 5.575 131 HB3 ARG 21 2HB ARG 21 4.687 -14.145 5.848 132 HG2 ARG 21 1HG ARG 21 3.382 -14.308 3.908 133 HG3 ARG 21 2HG ARG 21 3.247 -12.555 3.753 134 HD2 ARG 21 1HD ARG 21 4.849 -12.954 2.179 135 HD3 ARG 21 2HD ARG 21 5.877 -12.722 3.593 136 HE ARG 21 HE ARG 21 6.524 -14.901 3.414 137 HH11 ARG 21 2HH1 ARG 21 3.545 -14.476 1.665 138 HH12 ARG 21 1HH1 ARG 21 3.547 -16.081 1.013 139 HH21 ARG 21 2HH2 ARG 21 6.538 -17.017 2.562 140 HH22 ARG 21 1HH2 ARG 21 5.249 -17.526 1.525 141 H THR 22 H THR 22 4.134 -10.755 7.417 142 HA THR 22 HA THR 22 4.396 -11.967 10.092 143 HB THR 22 HB THR 22 6.424 -10.607 10.439 144 HG1 THR 22 1HG THR 22 5.740 -9.712 7.876 145 HG21 THR 22 1HG2 THR 22 6.319 -12.584 8.188 146 HG22 THR 22 2HG2 THR 22 6.962 -12.783 9.819 147 HG23 THR 22 3HG2 THR 22 7.843 -11.818 8.635 148 H ALA 23 H ALA 23 4.235 -10.527 11.889 149 HA ALA 23 HA ALA 23 2.117 -8.853 11.988 150 HB1 ALA 23 1HB ALA 23 2.734 -8.485 14.105 151 HB2 ALA 23 2HB ALA 23 4.074 -9.579 13.758 152 HB3 ALA 23 3HB ALA 23 4.304 -7.835 13.632 153 H ARG 24 H ARG 24 5.398 -7.969 11.028 154 HA ARG 24 HA ARG 24 5.110 -5.205 10.912 155 HB2 ARG 24 1HB ARG 24 6.872 -7.194 9.573 156 HB3 ARG 24 2HB ARG 24 6.820 -5.572 8.896 157 HG2 ARG 24 1HG ARG 24 7.265 -5.935 11.823 158 HG3 ARG 24 2HG ARG 24 8.595 -6.184 10.691 159 HD2 ARG 24 1HD ARG 24 8.527 -3.965 9.947 160 HD3 ARG 24 2HD ARG 24 6.914 -3.701 10.608 161 HE ARG 24 HE ARG 24 9.407 -3.413 11.981 162 HH11 ARG 24 2HH1 ARG 24 6.031 -4.168 12.378 163 HH12 ARG 24 1HH1 ARG 24 5.982 -3.674 14.038 164 HH21 ARG 24 2HH2 ARG 24 9.354 -2.760 14.166 165 HH22 ARG 24 1HH2 ARG 24 7.872 -2.872 15.054 166 H GLU 25 H GLU 25 4.652 -7.577 8.290 167 HA GLU 25 HA GLU 25 3.723 -5.683 6.405 168 HB2 GLU 25 1HB GLU 25 3.558 -8.681 6.581 169 HB3 GLU 25 2HB GLU 25 2.785 -7.800 5.271 170 HG2 GLU 25 1HG GLU 25 5.719 -7.795 5.940 171 HG3 GLU 25 2HG GLU 25 4.951 -8.614 4.581 172 H LEU 26 H LEU 26 1.471 -6.066 5.346 173 HA LEU 26 HA LEU 26 -0.559 -6.220 7.474 174 HB2 LEU 26 1HB LEU 26 -0.547 -4.336 5.121 175 HB3 LEU 26 2HB LEU 26 -1.803 -4.451 6.351 176 HG LEU 26 HG LEU 26 1.039 -3.611 6.906 177 HD11 LEU 26 1HD1 LEU 26 0.480 -1.698 5.903 178 HD12 LEU 26 2HD1 LEU 26 -0.566 -1.420 7.294 179 HD13 LEU 26 3HD1 LEU 26 -1.227 -2.134 5.823 180 HD21 LEU 26 1HD2 LEU 26 -0.354 -4.624 8.760 181 HD22 LEU 26 2HD2 LEU 26 -1.416 -3.225 8.601 182 HD23 LEU 26 3HD2 LEU 26 0.275 -3.002 9.056 183 H SER 27 H SER 27 -2.666 -6.906 6.815 184 HA SER 27 HA SER 27 -2.608 -8.561 4.379 185 HB2 SER 27 1HB SER 27 -4.313 -9.971 5.496 186 HB3 SER 27 2HB SER 27 -2.812 -9.888 6.418 187 HG SER 27 HG SER 27 -5.292 -8.663 6.946 188 H PHE 28 H PHE 28 -3.833 -7.879 2.765 189 HA PHE 28 HA PHE 28 -6.376 -6.543 3.368 190 HB2 PHE 28 1HB PHE 28 -5.880 -5.036 1.357 191 HB3 PHE 28 2HB PHE 28 -5.012 -4.690 2.849 192 HD1 PHE 28 1HD PHE 28 -4.730 -6.074 -0.539 193 HD2 PHE 28 2HD PHE 28 -2.644 -4.955 2.998 194 HE1 PHE 28 1HE PHE 28 -2.595 -6.239 -1.751 195 HE2 PHE 28 2HE PHE 28 -0.505 -5.117 1.792 196 HZ PHE 28 HZ PHE 28 -0.479 -5.759 -0.585 197 H LYS 29 H LYS 29 -8.016 -6.850 1.855 198 HA LYS 29 HA LYS 29 -7.726 -9.235 0.246 199 HB2 LYS 29 1HB LYS 29 -9.980 -7.557 1.209 200 HB3 LYS 29 2HB LYS 29 -10.238 -8.456 -0.280 201 HG2 LYS 29 1HG LYS 29 -11.013 -9.661 1.718 202 HG3 LYS 29 2HG LYS 29 -9.759 -10.535 0.836 203 HD2 LYS 29 1HD LYS 29 -8.193 -9.221 2.534 204 HD3 LYS 29 2HD LYS 29 -9.663 -9.243 3.510 205 HE2 LYS 29 1HE LYS 29 -9.740 -11.750 2.999 206 HE3 LYS 29 2HE LYS 29 -8.074 -11.564 2.455 207 HZ1 LYS 29 1HZ LYS 29 -8.886 -10.592 5.116 208 HZ2 LYS 29 2HZ LYS 29 -7.351 -11.047 4.572 209 HZ3 LYS 29 3HZ LYS 29 -8.523 -12.228 4.882 210 H LYS 30 H LYS 30 -8.552 -9.301 -1.996 211 HA LYS 30 HA LYS 30 -7.187 -7.511 -3.654 212 HB2 LYS 30 1HB LYS 30 -7.758 -9.733 -4.418 213 HB3 LYS 30 2HB LYS 30 -9.475 -9.386 -4.271 214 HG2 LYS 30 1HG LYS 30 -9.405 -7.860 -6.094 215 HG3 LYS 30 2HG LYS 30 -7.641 -7.913 -6.145 216 HD2 LYS 30 1HD LYS 30 -7.598 -9.999 -7.119 217 HD3 LYS 30 2HD LYS 30 -9.179 -10.449 -6.475 218 HE2 LYS 30 1HE LYS 30 -8.764 -8.353 -8.600 219 HE3 LYS 30 2HE LYS 30 -9.116 -10.045 -8.949 220 HZ1 LYS 30 1HZ LYS 30 -11.035 -8.343 -8.833 221 HZ2 LYS 30 2HZ LYS 30 -10.886 -8.522 -7.158 222 HZ3 LYS 30 3HZ LYS 30 -11.241 -9.865 -8.123 223 H GLY 31 H GLY 31 -7.693 -5.600 -4.551 224 HA2 GLY 31 1HA GLY 31 -9.058 -3.897 -5.386 225 HA3 GLY 31 2HA GLY 31 -10.463 -4.751 -4.765 226 H ALA 32 H ALA 32 -9.235 -5.021 -2.086 227 HA ALA 32 HA ALA 32 -10.412 -2.981 -0.729 228 HB1 ALA 32 1HB ALA 32 -7.829 -4.278 0.124 229 HB2 ALA 32 2HB ALA 32 -9.041 -3.532 1.166 230 HB3 ALA 32 3HB ALA 32 -9.423 -5.015 0.290 231 H SER 33 H SER 33 -9.928 -0.930 -0.083 232 HA SER 33 HA SER 33 -7.929 0.473 -1.607 233 HB2 SER 33 1HB SER 33 -9.988 1.630 -1.301 234 HB3 SER 33 2HB SER 33 -9.967 1.354 0.440 235 HG SER 33 HG SER 33 -8.481 3.170 -1.098 236 H LEU 34 H LEU 34 -5.929 0.962 -0.991 237 HA LEU 34 HA LEU 34 -5.261 0.787 1.873 238 HB2 LEU 34 1HB LEU 34 -3.395 0.072 -0.375 239 HB3 LEU 34 2HB LEU 34 -3.155 -0.190 1.351 240 HG LEU 34 HG LEU 34 -5.439 -1.550 0.002 241 HD11 LEU 34 1HD1 LEU 34 -2.750 -2.844 0.002 242 HD12 LEU 34 2HD1 LEU 34 -3.213 -1.784 -1.328 243 HD13 LEU 34 3HD1 LEU 34 -4.177 -3.215 -0.965 244 HD21 LEU 34 1HD2 LEU 34 -3.699 -2.963 1.887 245 HD22 LEU 34 2HD2 LEU 34 -5.457 -2.818 1.850 246 HD23 LEU 34 3HD2 LEU 34 -4.479 -1.528 2.551 247 H LEU 35 H LEU 35 -3.939 2.350 2.709 248 HA LEU 35 HA LEU 35 -3.435 4.652 0.967 249 HB2 LEU 35 1HB LEU 35 -4.677 4.638 3.300 250 HB3 LEU 35 2HB LEU 35 -3.029 4.755 3.912 251 HG LEU 35 HG LEU 35 -2.769 6.802 2.444 252 HD11 LEU 35 1HD1 LEU 35 -4.765 6.243 1.027 253 HD12 LEU 35 2HD1 LEU 35 -4.705 7.902 1.623 254 HD13 LEU 35 3HD1 LEU 35 -5.777 6.729 2.388 255 HD21 LEU 35 1HD2 LEU 35 -3.660 6.505 5.010 256 HD22 LEU 35 2HD2 LEU 35 -4.910 7.528 4.299 257 HD23 LEU 35 3HD2 LEU 35 -3.221 8.038 4.255 258 H LEU 36 H LEU 36 -1.425 5.537 0.695 259 HA LEU 36 HA LEU 36 0.830 4.030 1.851 260 HB2 LEU 36 1HB LEU 36 0.709 5.407 -0.828 261 HB3 LEU 36 2HB LEU 36 2.089 4.528 -0.175 262 HG LEU 36 HG LEU 36 -0.551 3.390 -1.078 263 HD11 LEU 36 1HD1 LEU 36 0.645 3.525 -3.000 264 HD12 LEU 36 2HD1 LEU 36 1.306 2.008 -2.391 265 HD13 LEU 36 3HD1 LEU 36 2.200 3.512 -2.168 266 HD21 LEU 36 1HD2 LEU 36 -0.099 2.060 0.761 267 HD22 LEU 36 2HD2 LEU 36 1.648 2.200 0.565 268 HD23 LEU 36 3HD2 LEU 36 0.714 1.191 -0.541 269 H TYR 37 H TYR 37 2.397 5.150 2.861 270 HA TYR 37 HA TYR 37 2.119 8.079 2.925 271 HB2 TYR 37 1HB TYR 37 3.348 6.201 4.954 272 HB3 TYR 37 2HB TYR 37 3.302 7.955 5.102 273 HD1 TYR 37 1HD TYR 37 0.595 8.624 4.267 274 HD2 TYR 37 2HD TYR 37 1.970 5.352 6.614 275 HE1 TYR 37 1HE TYR 37 -1.611 8.478 5.345 276 HE2 TYR 37 2HE TYR 37 -0.233 5.196 7.697 277 HH TYR 37 HH TYR 37 -2.800 6.044 6.779 278 H GLN 38 H GLN 38 4.546 5.483 2.912 279 HA GLN 38 HA GLN 38 6.263 7.057 1.209 280 HB2 GLN 38 1HB GLN 38 6.908 6.540 4.083 281 HB3 GLN 38 2HB GLN 38 8.211 6.556 2.903 282 HG2 GLN 38 1HG GLN 38 7.550 8.819 2.224 283 HG3 GLN 38 2HG GLN 38 6.280 8.800 3.448 284 HE21 GLN 38 1HE2 GLN 38 6.956 10.318 4.829 285 HE22 GLN 38 2HE2 GLN 38 8.473 10.301 5.654 286 H ARG 39 H ARG 39 7.801 5.828 0.122 287 HA ARG 39 HA ARG 39 7.219 3.025 -0.038 288 HB2 ARG 39 1HB ARG 39 7.752 4.287 -2.053 289 HB3 ARG 39 2HB ARG 39 9.334 4.697 -1.405 290 HG2 ARG 39 1HG ARG 39 9.931 2.970 -2.743 291 HG3 ARG 39 2HG ARG 39 9.553 2.061 -1.278 292 HD2 ARG 39 1HD ARG 39 7.525 1.308 -2.117 293 HD3 ARG 39 2HD ARG 39 7.427 2.601 -3.311 294 HE ARG 39 HE ARG 39 8.770 0.073 -3.595 295 HH11 ARG 39 2HH1 ARG 39 8.583 3.367 -4.706 296 HH12 ARG 39 1HH1 ARG 39 9.291 3.024 -6.250 297 HH21 ARG 39 2HH2 ARG 39 9.702 -0.392 -5.624 298 HH22 ARG 39 1HH2 ARG 39 9.926 0.885 -6.771 299 H ALA 40 H ALA 40 7.851 1.898 1.732 300 HA ALA 40 HA ALA 40 10.108 2.319 3.297 301 HB1 ALA 40 1HB ALA 40 9.338 0.583 4.468 302 HB2 ALA 40 2HB ALA 40 8.001 0.551 3.318 303 HB3 ALA 40 3HB ALA 40 9.400 -0.495 3.073 304 H SER 41 H SER 41 9.700 0.264 0.440 305 HA SER 41 HA SER 41 12.530 0.414 -0.108 306 HB2 SER 41 1HB SER 41 12.176 -1.538 1.522 307 HB3 SER 41 2HB SER 41 11.352 -2.347 0.189 308 HG SER 41 HG SER 41 13.207 -2.648 -0.786 309 H ASP 42 H ASP 42 13.035 -0.934 -2.142 310 HA ASP 42 HA ASP 42 11.399 -0.041 -4.230 311 HB2 ASP 42 1HB ASP 42 13.584 -2.111 -4.098 312 HB3 ASP 42 2HB ASP 42 12.742 -1.749 -5.602 313 H ASP 43 H ASP 43 11.198 -2.845 -2.246 314 HA ASP 43 HA ASP 43 9.004 -3.858 -3.931 315 HB2 ASP 43 1HB ASP 43 11.203 -5.357 -2.539 316 HB3 ASP 43 2HB ASP 43 9.652 -6.135 -2.844 317 H TRP 44 H TRP 44 8.998 -2.003 -1.641 318 HA TRP 44 HA TRP 44 6.899 -3.296 -0.141 319 HB2 TRP 44 1HB TRP 44 9.485 -2.472 1.185 320 HB3 TRP 44 2HB TRP 44 7.983 -2.718 2.073 321 HD1 TRP 44 HD TRP 44 10.999 -4.526 1.088 322 HE1 TRP 44 1HE TRP 44 10.683 -7.068 1.336 323 HE3 TRP 44 3HE TRP 44 5.913 -4.668 1.591 324 HZ2 TRP 44 2HZ TRP 44 8.560 -8.893 1.696 325 HZ3 TRP 44 3HZ TRP 44 4.817 -6.852 1.882 326 HH2 TRP 44 HH TRP 44 6.115 -8.919 1.933 327 H TRP 45 H TRP 45 5.891 -1.760 1.437 328 HA TRP 45 HA TRP 45 6.401 1.056 0.843 329 HB2 TRP 45 1HB TRP 45 3.844 -0.415 0.280 330 HB3 TRP 45 2HB TRP 45 3.816 1.302 0.671 331 HD1 TRP 45 HD TRP 45 5.127 -1.120 -2.018 332 HE1 TRP 45 1HE TRP 45 5.522 0.213 -4.184 333 HE3 TRP 45 3HE TRP 45 4.241 3.592 -0.244 334 HZ2 TRP 45 2HZ TRP 45 5.465 2.906 -5.029 335 HZ3 TRP 45 3HZ TRP 45 4.433 5.492 -1.795 336 HH2 TRP 45 HH TRP 45 5.033 5.154 -4.138 337 H GLU 46 H GLU 46 5.276 2.521 2.336 338 HA GLU 46 HA GLU 46 4.692 1.219 4.915 339 HB2 GLU 46 1HB GLU 46 6.090 3.860 4.451 340 HB3 GLU 46 2HB GLU 46 5.669 3.196 6.023 341 HG2 GLU 46 1HG GLU 46 7.082 1.148 5.140 342 HG3 GLU 46 2HG GLU 46 7.813 2.399 4.136 343 H GLY 47 H GLY 47 2.506 1.291 4.965 344 HA2 GLY 47 1HA GLY 47 1.293 3.965 4.987 345 HA3 GLY 47 2HA GLY 47 0.599 2.737 3.939 346 H ARG 48 H ARG 48 -1.384 2.774 5.017 347 HA ARG 48 HA ARG 48 -1.378 1.284 7.535 348 HB2 ARG 48 1HB ARG 48 -1.578 3.640 8.170 349 HB3 ARG 48 2HB ARG 48 -2.942 3.830 7.077 350 HG2 ARG 48 1HG ARG 48 -4.279 2.333 8.408 351 HG3 ARG 48 2HG ARG 48 -2.901 1.983 9.454 352 HD2 ARG 48 1HD ARG 48 -3.745 4.816 9.111 353 HD3 ARG 48 2HD ARG 48 -4.730 3.764 10.126 354 HE ARG 48 HE ARG 48 -2.238 3.341 11.066 355 HH11 ARG 48 2HH1 ARG 48 -4.079 6.229 10.442 356 HH12 ARG 48 1HH1 ARG 48 -3.314 7.145 11.698 357 HH21 ARG 48 2HH2 ARG 48 -1.223 4.536 12.722 358 HH22 ARG 48 1HH2 ARG 48 -1.688 6.181 12.993 359 H HIS 49 H HIS 49 -3.051 -0.138 7.760 360 HA HIS 49 HA HIS 49 -5.165 -0.098 5.720 361 HB2 HIS 49 1HB HIS 49 -3.536 -1.719 4.950 362 HB3 HIS 49 2HB HIS 49 -3.511 -2.497 6.530 363 HD1 HIS 49 1HD HIS 49 -5.073 -4.407 6.834 364 HD2 HIS 49 2HD HIS 49 -6.144 -2.007 3.616 365 HE1 HIS 49 1HE HIS 49 -6.985 -5.596 5.715 366 HE2 HIS 49 2HE HIS 49 -7.561 -4.168 3.722 367 H ASN 50 H ASN 50 -7.120 -0.196 6.598 368 HA ASN 50 HA ASN 50 -8.763 -0.352 8.173 369 HB2 ASN 50 1HB ASN 50 -8.138 -2.807 7.507 370 HB3 ASN 50 2HB ASN 50 -7.495 -2.890 9.144 371 HD21 ASN 50 1HD2 ASN 50 -8.891 -4.032 10.283 372 HD22 ASN 50 2HD2 ASN 50 -10.598 -3.768 10.346 373 H GLY 51 H GLY 51 -6.471 1.144 8.985 374 HA2 GLY 51 1HA GLY 51 -5.897 2.267 10.925 375 HA3 GLY 51 2HA GLY 51 -6.960 1.190 11.818 376 H ILE 52 H ILE 52 -4.455 -0.057 9.746 377 HA ILE 52 HA ILE 52 -2.826 -0.696 12.113 378 HB ILE 52 HB ILE 52 -3.247 -2.615 9.827 379 HG12 ILE 52 1HG1 ILE 52 -5.354 -2.129 11.154 380 HG13 ILE 52 2HG1 ILE 52 -4.836 -3.812 11.137 381 HG21 ILE 52 1HG2 ILE 52 -1.652 -3.823 10.787 382 HG22 ILE 52 2HG2 ILE 52 -1.371 -2.494 11.910 383 HG23 ILE 52 3HG2 ILE 52 -2.497 -3.783 12.334 384 HD11 ILE 52 1HD1 ILE 52 -3.738 -2.303 13.367 385 HD12 ILE 52 2HD1 ILE 52 -5.501 -2.360 13.355 386 HD13 ILE 52 3HD1 ILE 52 -4.571 -3.857 13.343 387 H ASP 53 H ASP 53 -0.907 0.226 11.894 388 HA ASP 53 HA ASP 53 0.120 0.942 9.287 389 HB2 ASP 53 1HB ASP 53 1.727 2.233 10.419 390 HB3 ASP 53 2HB ASP 53 0.289 2.353 11.429 391 H GLY 54 H GLY 54 1.699 -0.058 8.173 392 HA2 GLY 54 1HA GLY 54 3.666 -1.740 9.328 393 HA3 GLY 54 2HA GLY 54 2.367 -2.715 8.655 394 H LEU 55 H LEU 55 3.617 -3.628 7.041 395 HA LEU 55 HA LEU 55 4.670 -1.773 5.012 396 HB2 LEU 55 1HB LEU 55 5.420 -4.593 5.735 397 HB3 LEU 55 2HB LEU 55 5.935 -3.834 4.230 398 HG LEU 55 HG LEU 55 6.574 -2.682 6.937 399 HD11 LEU 55 1HD1 LEU 55 8.810 -3.923 5.632 400 HD12 LEU 55 2HD1 LEU 55 7.532 -5.104 5.915 401 HD13 LEU 55 3HD1 LEU 55 8.183 -4.171 7.262 402 HD21 LEU 55 1HD2 LEU 55 7.920 -1.204 5.842 403 HD22 LEU 55 2HD2 LEU 55 6.683 -1.435 4.606 404 HD23 LEU 55 3HD2 LEU 55 8.217 -2.299 4.492 405 H ILE 56 H ILE 56 4.321 -2.254 2.789 406 HA ILE 56 HA ILE 56 2.173 -4.173 2.222 407 HB ILE 56 HB ILE 56 2.225 -1.319 1.234 408 HG12 ILE 56 1HG1 ILE 56 0.085 -2.639 2.895 409 HG13 ILE 56 2HG1 ILE 56 1.456 -1.820 3.635 410 HG21 ILE 56 1HG2 ILE 56 0.487 -1.787 -0.183 411 HG22 ILE 56 2HG2 ILE 56 1.383 -3.303 -0.268 412 HG23 ILE 56 3HG2 ILE 56 -0.048 -3.181 0.756 413 HD11 ILE 56 1HD1 ILE 56 -0.802 -0.573 3.237 414 HD12 ILE 56 2HD1 ILE 56 0.737 0.252 2.989 415 HD13 ILE 56 3HD1 ILE 56 -0.163 -0.369 1.606 416 HA PRO 57 HA PRO 57 4.957 -5.302 -1.028 417 HB2 PRO 57 1HB PRO 57 3.264 -6.948 -2.368 418 HB3 PRO 57 2HB PRO 57 4.049 -7.405 -0.852 419 HG2 PRO 57 1HG PRO 57 1.272 -6.388 -1.315 420 HG3 PRO 57 2HG PRO 57 1.820 -7.704 -0.261 421 HD2 PRO 57 1HD PRO 57 1.231 -5.234 0.678 422 HD3 PRO 57 2HD PRO 57 2.483 -6.259 1.408 423 H HIS 58 H HIS 58 5.414 -4.596 -3.056 424 HA HIS 58 HA HIS 58 3.549 -2.717 -4.259 425 HB2 HIS 58 1HB HIS 58 5.884 -2.040 -4.033 426 HB3 HIS 58 2HB HIS 58 6.399 -3.430 -4.984 427 HD2 HIS 58 2HD HIS 58 5.745 -3.252 -7.769 428 HE1 HIS 58 1HE HIS 58 5.027 0.927 -7.630 429 HE2 HIS 58 2HE HIS 58 5.306 -1.088 -9.116 430 H GLN 59 H GLN 59 3.958 -5.950 -4.435 431 HA GLN 59 HA GLN 59 3.525 -6.149 -7.322 432 HB2 GLN 59 1HB GLN 59 4.188 -8.171 -5.194 433 HB3 GLN 59 2HB GLN 59 3.655 -8.657 -6.797 434 HG2 GLN 59 1HG GLN 59 5.960 -6.784 -6.468 435 HG3 GLN 59 2HG GLN 59 6.179 -8.524 -6.286 436 HE21 GLN 59 1HE2 GLN 59 7.610 -7.472 -8.197 437 HE22 GLN 59 2HE2 GLN 59 6.954 -7.785 -9.764 438 H TYR 60 H TYR 60 1.842 -6.256 -4.339 439 HA TYR 60 HA TYR 60 -0.520 -7.413 -5.663 440 HB2 TYR 60 1HB TYR 60 0.102 -7.215 -2.709 441 HB3 TYR 60 2HB TYR 60 -1.353 -7.922 -3.401 442 HD1 TYR 60 2HD TYR 60 2.353 -8.255 -3.817 443 HD2 TYR 60 1HD TYR 60 -1.408 -10.219 -3.494 444 HE1 TYR 60 2HE TYR 60 3.485 -10.433 -3.959 445 HE2 TYR 60 1HE TYR 60 -0.286 -12.403 -3.634 446 HH TYR 60 HH TYR 60 1.775 -13.432 -3.425 447 H ILE 61 H ILE 61 0.540 -4.582 -5.640 448 HA ILE 61 HA ILE 61 -2.019 -3.316 -5.180 449 HB ILE 61 HB ILE 61 -1.208 -1.571 -3.714 450 HG12 ILE 61 1HG1 ILE 61 1.136 -2.212 -2.606 451 HG13 ILE 61 2HG1 ILE 61 1.404 -2.920 -4.195 452 HG21 ILE 61 1HG2 ILE 61 -0.613 -4.335 -2.669 453 HG22 ILE 61 2HG2 ILE 61 -0.830 -2.903 -1.665 454 HG23 ILE 61 3HG2 ILE 61 -2.169 -3.506 -2.643 455 HD11 ILE 61 1HD1 ILE 61 1.107 -0.075 -3.407 456 HD12 ILE 61 2HD1 ILE 61 2.241 -0.831 -4.527 457 HD13 ILE 61 3HD1 ILE 61 0.566 -0.567 -5.011 458 H VAL 62 H VAL 62 -2.188 -1.233 -6.147 459 HA VAL 62 HA VAL 62 -0.019 -0.635 -8.054 460 HB VAL 62 HB VAL 62 -2.984 -0.218 -8.466 461 HG11 VAL 62 1HG1 VAL 62 -0.998 -0.012 -10.665 462 HG12 VAL 62 2HG1 VAL 62 -2.538 0.822 -10.446 463 HG13 VAL 62 3HG1 VAL 62 -1.119 1.333 -9.532 464 HG21 VAL 62 1HG2 VAL 62 -1.846 -1.916 -10.420 465 HG22 VAL 62 2HG2 VAL 62 -1.343 -2.520 -8.841 466 HG23 VAL 62 3HG2 VAL 62 -3.057 -2.313 -9.201 467 H VAL 63 H VAL 63 0.894 1.293 -7.832 468 HA VAL 63 HA VAL 63 -0.226 3.227 -5.997 469 HB VAL 63 HB VAL 63 2.306 3.352 -7.641 470 HG11 VAL 63 1HG1 VAL 63 0.944 5.314 -6.007 471 HG12 VAL 63 2HG1 VAL 63 2.571 4.980 -5.410 472 HG13 VAL 63 3HG1 VAL 63 2.332 5.506 -7.077 473 HG21 VAL 63 1HG2 VAL 63 2.889 1.719 -6.192 474 HG22 VAL 63 2HG2 VAL 63 3.129 3.078 -5.094 475 HG23 VAL 63 3HG2 VAL 63 1.631 2.149 -5.033 476 H GLN 64 H GLN 64 -1.766 4.559 -6.686 477 HA GLN 64 HA GLN 64 -2.051 5.270 -9.456 478 HB2 GLN 64 1HB GLN 64 -3.519 6.335 -7.037 479 HB3 GLN 64 2HB GLN 64 -3.996 6.551 -8.716 480 HG2 GLN 64 1HG GLN 64 -3.650 3.782 -7.707 481 HG3 GLN 64 2HG GLN 64 -5.067 4.692 -7.186 482 HE21 GLN 64 1HE2 GLN 64 -5.210 2.372 -8.720 483 HE22 GLN 64 2HE2 GLN 64 -5.836 2.777 -10.278 484 H ASP 65 H ASP 65 -0.624 6.650 -10.302 485 HA ASP 65 HA ASP 65 0.338 8.904 -8.711 486 HB2 ASP 65 1HB ASP 65 1.214 7.732 -11.350 487 HB3 ASP 65 2HB ASP 65 1.855 9.249 -10.725 488 H THR 66 H THR 66 -1.450 10.262 -8.695 489 HA THR 66 HA THR 66 -1.937 11.649 -11.230 490 HB THR 66 HB THR 66 -4.174 10.837 -9.365 491 HG1 THR 66 1HG THR 66 -3.715 8.999 -10.436 492 HG21 THR 66 1HG2 THR 66 -4.064 12.366 -11.952 493 HG22 THR 66 2HG2 THR 66 -4.814 12.835 -10.426 494 HG23 THR 66 3HG2 THR 66 -5.536 11.562 -11.410 495 H SER 67 H SER 67 -1.712 13.772 -10.998 496 HA SER 67 HA SER 67 -1.073 15.003 -8.575 497 HB2 SER 67 1HB SER 67 -1.979 16.119 -11.227 498 HB3 SER 67 2HB SER 67 -1.556 17.160 -9.868 499 HG SER 67 HG SER 67 0.363 16.948 -10.759 500 H GLY 68 H GLY 68 -4.112 15.136 -10.433 501 HA2 GLY 68 1HA GLY 68 -5.511 15.717 -7.908 502 HA3 GLY 68 2HA GLY 68 -5.803 16.726 -9.317 503 HA PRO 69 HA PRO 69 -8.342 12.628 -9.231 504 HB2 PRO 69 1HB PRO 69 -10.518 13.374 -7.789 505 HB3 PRO 69 2HB PRO 69 -9.102 12.604 -7.063 506 HG2 PRO 69 1HG PRO 69 -9.843 15.502 -7.152 507 HG3 PRO 69 2HG PRO 69 -9.193 14.555 -5.802 508 HD2 PRO 69 1HD PRO 69 -7.648 16.184 -7.315 509 HD3 PRO 69 2HD PRO 69 -7.029 14.689 -6.585 510 H SER 70 H SER 70 -8.647 15.893 -9.999 511 HA SER 70 HA SER 70 -11.072 16.459 -10.949 512 HB2 SER 70 1HB SER 70 -8.723 17.600 -11.380 513 HB3 SER 70 2HB SER 70 -8.861 16.782 -12.936 514 HG SER 70 HG SER 70 -9.763 18.891 -12.974 515 H SER 71 H SER 71 -12.349 16.050 -12.767 516 HA SER 71 HA SER 71 -12.870 13.558 -13.559 517 HB2 SER 71 1HB SER 71 -13.978 15.788 -14.294 518 HB3 SER 71 2HB SER 71 -12.892 15.690 -15.680 519 HG SER 71 HG SER 71 -15.164 14.616 -15.624 520 H GLY 72 H GLY 72 -12.076 11.986 -14.852 521 HA2 GLY 72 1HA GLY 72 -10.753 10.976 -16.473 522 HA3 GLY 72 2HA GLY 72 -10.074 12.551 -16.858 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.961 14.970 -2.087 2 HA2 GLY 1 1HA GLY 1 3.563 14.101 -3.483 3 HA3 GLY 1 2HA GLY 1 2.453 14.429 -4.805 4 H SER 2 H SER 2 2.591 16.410 -5.920 5 HA SER 2 HA SER 2 5.250 17.429 -6.127 6 HB2 SER 2 1HB SER 2 3.757 17.216 -8.085 7 HB3 SER 2 2HB SER 2 2.699 18.450 -7.401 8 HG SER 2 HG SER 2 4.526 19.883 -7.490 9 H SER 3 H SER 3 2.158 18.844 -5.083 10 HA SER 3 HA SER 3 3.654 21.080 -3.895 11 HB2 SER 3 1HB SER 3 1.930 21.766 -5.484 12 HB3 SER 3 2HB SER 3 0.715 20.853 -4.590 13 HG SER 3 HG SER 3 2.223 22.813 -3.263 14 H GLY 4 H GLY 4 3.216 21.747 -1.760 15 HA2 GLY 4 1HA GLY 4 1.940 21.467 0.298 16 HA3 GLY 4 2HA GLY 4 1.765 19.768 -0.117 17 H SER 5 H SER 5 3.136 21.585 2.080 18 HA SER 5 HA SER 5 5.865 20.810 2.059 19 HB2 SER 5 1HB SER 5 4.035 21.897 4.191 20 HB3 SER 5 2HB SER 5 5.703 21.449 4.548 21 HG SER 5 HG SER 5 5.191 23.116 2.357 22 H SER 6 H SER 6 3.239 19.759 4.237 23 HA SER 6 HA SER 6 4.707 17.506 5.176 24 HB2 SER 6 1HB SER 6 2.597 16.882 6.302 25 HB3 SER 6 2HB SER 6 3.003 18.577 6.568 26 HG SER 6 HG SER 6 0.959 17.449 5.022 27 H GLY 7 H GLY 7 3.393 18.036 2.237 28 HA2 GLY 7 1HA GLY 7 2.755 16.692 0.488 29 HA3 GLY 7 2HA GLY 7 3.685 15.439 1.296 30 H GLU 8 H GLU 8 1.681 14.463 -0.037 31 HA GLU 8 HA GLU 8 -0.324 13.834 2.016 32 HB2 GLU 8 1HB GLU 8 -0.847 14.477 -0.887 33 HB3 GLU 8 2HB GLU 8 -2.024 13.692 0.156 34 HG2 GLU 8 1HG GLU 8 -2.206 15.599 1.543 35 HG3 GLU 8 2HG GLU 8 -0.801 16.358 0.797 36 HA PRO 9 HA PRO 9 0.474 9.622 1.078 37 HB2 PRO 9 1HB PRO 9 -1.950 8.507 1.581 38 HB3 PRO 9 2HB PRO 9 -0.880 9.096 2.858 39 HG2 PRO 9 1HG PRO 9 -3.255 10.427 1.614 40 HG3 PRO 9 2HG PRO 9 -2.789 10.340 3.323 41 HD2 PRO 9 1HD PRO 9 -2.326 12.527 1.795 42 HD3 PRO 9 2HD PRO 9 -1.246 12.041 3.118 43 H ILE 10 H ILE 10 -0.211 7.795 -0.293 44 HA ILE 10 HA ILE 10 -1.573 8.743 -2.729 45 HB ILE 10 HB ILE 10 0.493 6.548 -2.563 46 HG12 ILE 10 1HG1 ILE 10 0.892 9.325 -3.678 47 HG13 ILE 10 2HG1 ILE 10 1.322 8.895 -2.026 48 HG21 ILE 10 1HG2 ILE 10 -0.812 6.140 -4.451 49 HG22 ILE 10 2HG2 ILE 10 -0.995 7.856 -4.811 50 HG23 ILE 10 3HG2 ILE 10 0.556 7.060 -5.079 51 HD11 ILE 10 1HD1 ILE 10 2.391 7.329 -4.335 52 HD12 ILE 10 2HD1 ILE 10 3.140 8.846 -3.837 53 HD13 ILE 10 3HD1 ILE 10 3.039 7.499 -2.704 54 H GLU 11 H GLU 11 -3.495 7.861 -3.055 55 HA GLU 11 HA GLU 11 -4.347 5.527 -1.615 56 HB2 GLU 11 1HB GLU 11 -5.609 7.492 -3.457 57 HB3 GLU 11 2HB GLU 11 -6.374 5.916 -3.312 58 HG2 GLU 11 1HG GLU 11 -6.838 6.214 -1.049 59 HG3 GLU 11 2HG GLU 11 -5.673 7.526 -0.889 60 H ALA 12 H ALA 12 -3.777 3.550 -2.217 61 HA ALA 12 HA ALA 12 -3.512 2.967 -5.092 62 HB1 ALA 12 1HB ALA 12 -2.395 0.943 -3.358 63 HB2 ALA 12 2HB ALA 12 -1.631 1.864 -4.654 64 HB3 ALA 12 3HB ALA 12 -1.708 2.533 -3.024 65 H ILE 13 H ILE 13 -3.825 0.465 -5.456 66 HA ILE 13 HA ILE 13 -6.225 -0.421 -4.004 67 HB ILE 13 HB ILE 13 -5.853 -0.559 -6.999 68 HG12 ILE 13 1HG1 ILE 13 -6.404 1.703 -6.200 69 HG13 ILE 13 2HG1 ILE 13 -7.740 0.998 -7.102 70 HG21 ILE 13 1HG2 ILE 13 -7.158 -2.375 -6.729 71 HG22 ILE 13 2HG2 ILE 13 -7.697 -1.881 -5.125 72 HG23 ILE 13 3HG2 ILE 13 -8.442 -1.178 -6.560 73 HD11 ILE 13 1HD1 ILE 13 -8.206 0.302 -4.447 74 HD12 ILE 13 2HD1 ILE 13 -7.669 1.981 -4.408 75 HD13 ILE 13 3HD1 ILE 13 -9.050 1.520 -5.402 76 H ALA 14 H ALA 14 -6.227 -2.510 -3.418 77 HA ALA 14 HA ALA 14 -3.908 -4.066 -3.539 78 HB1 ALA 14 1HB ALA 14 -5.311 -4.618 -1.789 79 HB2 ALA 14 2HB ALA 14 -6.749 -4.643 -2.811 80 HB3 ALA 14 3HB ALA 14 -5.575 -5.956 -2.908 81 H LYS 15 H LYS 15 -3.041 -5.175 -5.152 82 HA LYS 15 HA LYS 15 -4.437 -5.569 -7.622 83 HB2 LYS 15 1HB LYS 15 -1.686 -6.031 -6.607 84 HB3 LYS 15 2HB LYS 15 -2.202 -7.018 -7.968 85 HG2 LYS 15 1HG LYS 15 -2.661 -4.089 -8.117 86 HG3 LYS 15 2HG LYS 15 -1.013 -4.692 -8.308 87 HD2 LYS 15 1HD LYS 15 -3.179 -6.026 -9.847 88 HD3 LYS 15 2HD LYS 15 -2.653 -4.424 -10.372 89 HE2 LYS 15 1HE LYS 15 -0.649 -6.575 -9.807 90 HE3 LYS 15 2HE LYS 15 -1.500 -6.532 -11.351 91 HZ1 LYS 15 1HZ LYS 15 0.753 -5.108 -10.663 92 HZ2 LYS 15 2HZ LYS 15 -0.494 -3.965 -10.675 93 HZ3 LYS 15 3HZ LYS 15 -0.193 -4.902 -12.051 94 H PHE 16 H PHE 16 -3.381 -7.640 -4.964 95 HA PHE 16 HA PHE 16 -5.343 -9.627 -5.730 96 HB2 PHE 16 1HB PHE 16 -2.560 -10.653 -5.315 97 HB3 PHE 16 2HB PHE 16 -3.916 -11.414 -6.142 98 HD1 PHE 16 2HD PHE 16 -4.620 -10.504 -8.386 99 HD2 PHE 16 1HD PHE 16 -0.967 -9.415 -6.493 100 HE1 PHE 16 2HE PHE 16 -3.733 -9.735 -10.548 101 HE2 PHE 16 1HE PHE 16 -0.074 -8.643 -8.652 102 HZ PHE 16 HZ PHE 16 -1.457 -8.803 -10.683 103 H ASP 17 H ASP 17 -5.955 -10.975 -4.042 104 HA ASP 17 HA ASP 17 -5.929 -10.016 -1.484 105 HB2 ASP 17 1HB ASP 17 -6.483 -12.351 -0.758 106 HB3 ASP 17 2HB ASP 17 -7.456 -11.764 -2.104 107 H TYR 18 H TYR 18 -4.204 -9.484 -0.312 108 HA TYR 18 HA TYR 18 -1.963 -11.393 -0.184 109 HB2 TYR 18 1HB TYR 18 -1.473 -9.130 -1.189 110 HB3 TYR 18 2HB TYR 18 -1.819 -8.430 0.388 111 HD1 TYR 18 1HD TYR 18 0.476 -10.659 -1.460 112 HD2 TYR 18 2HD TYR 18 -0.219 -8.512 2.147 113 HE1 TYR 18 1HE TYR 18 2.806 -11.059 -0.781 114 HE2 TYR 18 2HE TYR 18 2.110 -8.905 2.836 115 HH TYR 18 HH TYR 18 4.414 -10.515 0.693 116 H VAL 19 H VAL 19 -1.080 -11.900 1.811 117 HA VAL 19 HA VAL 19 -2.503 -10.882 4.178 118 HB VAL 19 HB VAL 19 -3.404 -13.087 3.703 119 HG11 VAL 19 1HG1 VAL 19 -2.139 -15.020 3.399 120 HG12 VAL 19 2HG1 VAL 19 -1.253 -13.800 2.482 121 HG13 VAL 19 3HG1 VAL 19 -0.685 -14.291 4.078 122 HG21 VAL 19 1HG2 VAL 19 -1.681 -12.667 6.088 123 HG22 VAL 19 2HG2 VAL 19 -3.433 -12.833 5.975 124 HG23 VAL 19 3HG2 VAL 19 -2.402 -14.259 5.851 125 H GLY 20 H GLY 20 -0.964 -9.676 5.130 126 HA2 GLY 20 1HA GLY 20 1.759 -9.870 4.990 127 HA3 GLY 20 2HA GLY 20 0.910 -9.256 6.401 128 H ARG 21 H ARG 21 2.735 -11.840 5.077 129 HA ARG 21 HA ARG 21 2.144 -13.960 6.752 130 HB2 ARG 21 1HB ARG 21 4.816 -13.122 5.615 131 HB3 ARG 21 2HB ARG 21 4.508 -14.679 6.373 132 HG2 ARG 21 1HG ARG 21 2.670 -14.971 4.630 133 HG3 ARG 21 2HG ARG 21 3.413 -13.604 3.798 134 HD2 ARG 21 1HD ARG 21 5.013 -16.000 4.641 135 HD3 ARG 21 2HD ARG 21 4.133 -15.967 3.113 136 HE ARG 21 HE ARG 21 5.648 -13.657 3.191 137 HH11 ARG 21 2HH1 ARG 21 6.215 -17.092 3.229 138 HH12 ARG 21 1HH1 ARG 21 7.758 -16.977 2.448 139 HH21 ARG 21 2HH2 ARG 21 7.677 -13.493 2.163 140 HH22 ARG 21 1HH2 ARG 21 8.589 -14.930 1.843 141 H THR 22 H THR 22 3.975 -11.058 7.401 142 HA THR 22 HA THR 22 4.493 -12.025 10.137 143 HB THR 22 HB THR 22 6.304 -10.350 10.257 144 HG1 THR 22 1HG THR 22 5.978 -8.804 8.801 145 HG21 THR 22 1HG2 THR 22 6.531 -12.775 9.307 146 HG22 THR 22 2HG2 THR 22 7.881 -11.648 9.172 147 HG23 THR 22 3HG2 THR 22 6.836 -11.943 7.783 148 H ALA 23 H ALA 23 4.735 -10.072 11.703 149 HA ALA 23 HA ALA 23 2.215 -8.839 11.924 150 HB1 ALA 23 1HB ALA 23 3.498 -7.405 13.673 151 HB2 ALA 23 2HB ALA 23 3.271 -9.131 13.956 152 HB3 ALA 23 3HB ALA 23 4.818 -8.532 13.358 153 H ARG 24 H ARG 24 5.354 -7.606 10.838 154 HA ARG 24 HA ARG 24 4.692 -4.917 10.566 155 HB2 ARG 24 1HB ARG 24 6.687 -6.714 9.250 156 HB3 ARG 24 2HB ARG 24 6.451 -5.092 8.611 157 HG2 ARG 24 1HG ARG 24 8.150 -4.711 10.080 158 HG3 ARG 24 2HG ARG 24 6.762 -4.404 11.126 159 HD2 ARG 24 1HD ARG 24 7.856 -7.170 10.954 160 HD3 ARG 24 2HD ARG 24 8.733 -5.967 11.898 161 HE ARG 24 HE ARG 24 6.405 -7.320 12.694 162 HH11 ARG 24 2HH1 ARG 24 7.787 -4.125 12.707 163 HH12 ARG 24 1HH1 ARG 24 6.936 -3.621 14.130 164 HH21 ARG 24 2HH2 ARG 24 5.280 -6.669 14.568 165 HH22 ARG 24 1HH2 ARG 24 5.511 -5.070 15.188 166 H GLU 25 H GLU 25 4.440 -7.539 8.175 167 HA GLU 25 HA GLU 25 3.413 -5.968 6.083 168 HB2 GLU 25 1HB GLU 25 2.977 -8.912 6.620 169 HB3 GLU 25 2HB GLU 25 2.689 -8.096 5.090 170 HG2 GLU 25 1HG GLU 25 4.967 -7.757 4.706 171 HG3 GLU 25 2HG GLU 25 5.388 -8.079 6.387 172 H LEU 26 H LEU 26 1.263 -5.850 5.249 173 HA LEU 26 HA LEU 26 -0.797 -6.087 7.342 174 HB2 LEU 26 1HB LEU 26 -0.738 -4.189 5.002 175 HB3 LEU 26 2HB LEU 26 -1.958 -4.246 6.272 176 HG LEU 26 HG LEU 26 0.939 -3.548 6.735 177 HD11 LEU 26 1HD1 LEU 26 -0.494 -1.969 5.269 178 HD12 LEU 26 2HD1 LEU 26 0.417 -1.297 6.621 179 HD13 LEU 26 3HD1 LEU 26 -1.315 -1.583 6.782 180 HD21 LEU 26 1HD2 LEU 26 -0.669 -4.492 8.580 181 HD22 LEU 26 2HD2 LEU 26 -1.317 -2.852 8.554 182 HD23 LEU 26 3HD2 LEU 26 0.387 -3.121 8.920 183 H SER 27 H SER 27 -2.520 -7.331 6.955 184 HA SER 27 HA SER 27 -2.661 -8.747 4.425 185 HB2 SER 27 1HB SER 27 -3.042 -10.290 6.081 186 HB3 SER 27 2HB SER 27 -3.813 -9.115 7.146 187 HG SER 27 HG SER 27 -5.511 -10.230 6.472 188 H PHE 28 H PHE 28 -4.063 -8.343 2.839 189 HA PHE 28 HA PHE 28 -6.528 -6.889 3.394 190 HB2 PHE 28 1HB PHE 28 -6.027 -5.399 1.371 191 HB3 PHE 28 2HB PHE 28 -5.174 -5.032 2.867 192 HD1 PHE 28 1HD PHE 28 -4.844 -6.561 -0.471 193 HD2 PHE 28 2HD PHE 28 -2.816 -5.165 3.001 194 HE1 PHE 28 1HE PHE 28 -2.698 -6.723 -1.663 195 HE2 PHE 28 2HE PHE 28 -0.667 -5.324 1.815 196 HZ PHE 28 HZ PHE 28 -0.606 -6.103 -0.521 197 H LYS 29 H LYS 29 -7.916 -6.767 1.384 198 HA LYS 29 HA LYS 29 -7.611 -9.271 -0.136 199 HB2 LYS 29 1HB LYS 29 -10.091 -7.724 0.627 200 HB3 LYS 29 2HB LYS 29 -10.094 -9.096 -0.474 201 HG2 LYS 29 1HG LYS 29 -8.876 -9.454 2.212 202 HG3 LYS 29 2HG LYS 29 -10.635 -9.373 2.088 203 HD2 LYS 29 1HD LYS 29 -10.771 -11.316 0.858 204 HD3 LYS 29 2HD LYS 29 -9.129 -11.158 0.231 205 HE2 LYS 29 1HE LYS 29 -8.180 -11.878 2.273 206 HE3 LYS 29 2HE LYS 29 -9.709 -11.699 3.132 207 HZ1 LYS 29 1HZ LYS 29 -10.405 -13.701 2.465 208 HZ2 LYS 29 2HZ LYS 29 -8.774 -14.014 2.142 209 HZ3 LYS 29 3HZ LYS 29 -9.804 -13.519 0.894 210 H LYS 30 H LYS 30 -8.166 -9.288 -2.362 211 HA LYS 30 HA LYS 30 -7.147 -7.225 -3.890 212 HB2 LYS 30 1HB LYS 30 -7.479 -9.492 -4.750 213 HB3 LYS 30 2HB LYS 30 -9.223 -9.275 -4.686 214 HG2 LYS 30 1HG LYS 30 -9.146 -7.617 -6.408 215 HG3 LYS 30 2HG LYS 30 -7.381 -7.605 -6.382 216 HD2 LYS 30 1HD LYS 30 -7.344 -9.917 -7.158 217 HD3 LYS 30 2HD LYS 30 -9.108 -9.960 -7.149 218 HE2 LYS 30 1HE LYS 30 -9.285 -8.631 -9.010 219 HE3 LYS 30 2HE LYS 30 -7.745 -7.826 -8.713 220 HZ1 LYS 30 1HZ LYS 30 -7.292 -10.564 -9.186 221 HZ2 LYS 30 2HZ LYS 30 -6.757 -9.234 -10.084 222 HZ3 LYS 30 3HZ LYS 30 -8.251 -9.947 -10.437 223 H GLY 31 H GLY 31 -7.851 -5.263 -4.413 224 HA2 GLY 31 1HA GLY 31 -9.467 -3.744 -5.255 225 HA3 GLY 31 2HA GLY 31 -10.735 -4.779 -4.615 226 H ALA 32 H ALA 32 -8.881 -4.837 -2.092 227 HA ALA 32 HA ALA 32 -10.369 -2.974 -0.594 228 HB1 ALA 32 1HB ALA 32 -9.048 -3.607 1.262 229 HB2 ALA 32 2HB ALA 32 -9.219 -5.051 0.263 230 HB3 ALA 32 3HB ALA 32 -7.716 -4.128 0.229 231 H SER 33 H SER 33 -10.068 -0.879 -0.150 232 HA SER 33 HA SER 33 -8.088 0.606 -1.564 233 HB2 SER 33 1HB SER 33 -10.347 1.499 -1.062 234 HB3 SER 33 2HB SER 33 -9.934 1.531 0.652 235 HG SER 33 HG SER 33 -8.692 3.231 0.339 236 H LEU 34 H LEU 34 -6.095 1.136 -0.962 237 HA LEU 34 HA LEU 34 -5.392 0.944 1.892 238 HB2 LEU 34 1HB LEU 34 -3.537 0.322 -0.394 239 HB3 LEU 34 2HB LEU 34 -3.254 0.057 1.325 240 HG LEU 34 HG LEU 34 -5.501 -1.378 -0.017 241 HD11 LEU 34 1HD1 LEU 34 -4.101 -3.111 -0.807 242 HD12 LEU 34 2HD1 LEU 34 -2.674 -2.402 -0.052 243 HD13 LEU 34 3HD1 LEU 34 -3.428 -1.606 -1.433 244 HD21 LEU 34 1HD2 LEU 34 -5.180 -1.471 2.430 245 HD22 LEU 34 2HD2 LEU 34 -3.580 -2.164 2.171 246 HD23 LEU 34 3HD2 LEU 34 -5.018 -3.048 1.658 247 H LEU 35 H LEU 35 -3.688 2.341 2.613 248 HA LEU 35 HA LEU 35 -3.395 4.744 0.932 249 HB2 LEU 35 1HB LEU 35 -4.656 4.715 3.256 250 HB3 LEU 35 2HB LEU 35 -3.014 4.852 3.880 251 HG LEU 35 HG LEU 35 -2.753 6.908 2.456 252 HD11 LEU 35 1HD1 LEU 35 -5.752 6.793 2.246 253 HD12 LEU 35 2HD1 LEU 35 -4.671 6.304 0.942 254 HD13 LEU 35 3HD1 LEU 35 -4.654 7.969 1.523 255 HD21 LEU 35 1HD2 LEU 35 -3.696 6.620 4.972 256 HD22 LEU 35 2HD2 LEU 35 -5.018 7.521 4.231 257 HD23 LEU 35 3HD2 LEU 35 -3.381 8.177 4.206 258 H LEU 36 H LEU 36 -1.395 5.557 0.569 259 HA LEU 36 HA LEU 36 0.867 4.108 1.780 260 HB2 LEU 36 1HB LEU 36 0.868 5.537 -0.868 261 HB3 LEU 36 2HB LEU 36 2.116 4.473 -0.222 262 HG LEU 36 HG LEU 36 -0.592 3.722 -1.299 263 HD11 LEU 36 1HD1 LEU 36 1.212 2.086 -2.447 264 HD12 LEU 36 2HD1 LEU 36 2.206 3.519 -2.194 265 HD13 LEU 36 3HD1 LEU 36 0.716 3.635 -3.129 266 HD21 LEU 36 1HD2 LEU 36 1.318 2.116 0.378 267 HD22 LEU 36 2HD2 LEU 36 0.143 1.368 -0.703 268 HD23 LEU 36 3HD2 LEU 36 -0.407 2.383 0.631 269 H TYR 37 H TYR 37 2.374 5.240 2.849 270 HA TYR 37 HA TYR 37 2.092 8.166 2.886 271 HB2 TYR 37 1HB TYR 37 3.345 6.317 4.927 272 HB3 TYR 37 2HB TYR 37 3.231 8.067 5.075 273 HD1 TYR 37 1HD TYR 37 0.512 8.641 4.220 274 HD2 TYR 37 2HD TYR 37 1.980 5.408 6.565 275 HE1 TYR 37 1HE TYR 37 -1.698 8.410 5.274 276 HE2 TYR 37 2HE TYR 37 -0.227 5.168 7.625 277 HH TYR 37 HH TYR 37 -2.820 5.941 6.671 278 H GLN 38 H GLN 38 4.523 5.579 2.854 279 HA GLN 38 HA GLN 38 6.251 7.187 1.192 280 HB2 GLN 38 1HB GLN 38 6.895 6.587 4.054 281 HB3 GLN 38 2HB GLN 38 8.194 6.667 2.872 282 HG2 GLN 38 1HG GLN 38 7.279 8.949 2.244 283 HG3 GLN 38 2HG GLN 38 6.305 8.840 3.709 284 HE21 GLN 38 1HE2 GLN 38 7.923 10.899 3.627 285 HE22 GLN 38 2HE2 GLN 38 9.312 10.680 4.630 286 H ARG 39 H ARG 39 8.125 5.973 0.412 287 HA ARG 39 HA ARG 39 7.444 3.160 0.096 288 HB2 ARG 39 1HB ARG 39 7.993 4.577 -1.878 289 HB3 ARG 39 2HB ARG 39 9.625 4.763 -1.249 290 HG2 ARG 39 1HG ARG 39 9.975 3.055 -2.701 291 HG3 ARG 39 2HG ARG 39 9.548 2.122 -1.265 292 HD2 ARG 39 1HD ARG 39 7.423 1.635 -2.058 293 HD3 ARG 39 2HD ARG 39 7.426 2.991 -3.185 294 HE ARG 39 HE ARG 39 8.353 0.350 -3.693 295 HH11 ARG 39 2HH1 ARG 39 8.936 3.698 -4.449 296 HH12 ARG 39 1HH1 ARG 39 9.653 3.360 -5.990 297 HH21 ARG 39 2HH2 ARG 39 9.295 -0.107 -5.719 298 HH22 ARG 39 1HH2 ARG 39 9.856 1.196 -6.712 299 H ALA 40 H ALA 40 8.209 1.799 1.573 300 HA ALA 40 HA ALA 40 10.488 2.347 3.190 301 HB1 ALA 40 1HB ALA 40 9.919 -0.405 3.322 302 HB2 ALA 40 2HB ALA 40 9.446 0.857 4.460 303 HB3 ALA 40 3HB ALA 40 8.373 0.422 3.130 304 H SER 41 H SER 41 9.901 0.304 0.369 305 HA SER 41 HA SER 41 12.709 0.309 -0.269 306 HB2 SER 41 1HB SER 41 11.370 -2.109 0.850 307 HB3 SER 41 2HB SER 41 12.512 -2.340 -0.473 308 HG SER 41 HG SER 41 13.393 -2.392 1.733 309 H ASP 42 H ASP 42 13.009 -1.320 -2.242 310 HA ASP 42 HA ASP 42 11.272 -0.346 -4.284 311 HB2 ASP 42 1HB ASP 42 13.424 -2.470 -4.388 312 HB3 ASP 42 2HB ASP 42 12.629 -1.766 -5.793 313 H ASP 43 H ASP 43 11.046 -2.920 -2.134 314 HA ASP 43 HA ASP 43 8.959 -4.164 -3.792 315 HB2 ASP 43 1HB ASP 43 11.125 -5.532 -2.204 316 HB3 ASP 43 2HB ASP 43 9.634 -6.357 -2.650 317 H TRP 44 H TRP 44 8.989 -2.176 -1.550 318 HA TRP 44 HA TRP 44 6.826 -3.351 -0.054 319 HB2 TRP 44 1HB TRP 44 9.449 -2.678 1.276 320 HB3 TRP 44 2HB TRP 44 7.932 -2.753 2.167 321 HD1 TRP 44 HD TRP 44 10.737 -4.889 1.045 322 HE1 TRP 44 1HE TRP 44 10.206 -7.371 1.475 323 HE3 TRP 44 3HE TRP 44 5.741 -4.488 2.057 324 HZ2 TRP 44 2HZ TRP 44 7.966 -8.949 2.152 325 HZ3 TRP 44 3HZ TRP 44 4.477 -6.531 2.586 326 HH2 TRP 44 HH TRP 44 5.569 -8.715 2.632 327 H TRP 45 H TRP 45 5.853 -1.753 1.472 328 HA TRP 45 HA TRP 45 6.495 1.029 0.813 329 HB2 TRP 45 1HB TRP 45 3.901 -0.377 0.308 330 HB3 TRP 45 2HB TRP 45 3.883 1.329 0.747 331 HD1 TRP 45 HD TRP 45 5.190 -1.013 -2.022 332 HE1 TRP 45 1HE TRP 45 5.524 0.378 -4.161 333 HE3 TRP 45 3HE TRP 45 4.220 3.636 -0.128 334 HZ2 TRP 45 2HZ TRP 45 5.394 3.087 -4.943 335 HZ3 TRP 45 3HZ TRP 45 4.347 5.574 -1.637 336 HH2 TRP 45 HH TRP 45 4.922 5.304 -3.995 337 H GLU 46 H GLU 46 5.239 2.566 2.245 338 HA GLU 46 HA GLU 46 4.809 1.373 4.904 339 HB2 GLU 46 1HB GLU 46 6.163 4.001 4.273 340 HB3 GLU 46 2HB GLU 46 5.782 3.423 5.889 341 HG2 GLU 46 1HG GLU 46 7.191 1.337 5.077 342 HG3 GLU 46 2HG GLU 46 7.896 2.548 4.007 343 H GLY 47 H GLY 47 2.603 1.391 4.911 344 HA2 GLY 47 1HA GLY 47 1.358 4.053 4.931 345 HA3 GLY 47 2HA GLY 47 0.669 2.804 3.906 346 H ARG 48 H ARG 48 -1.302 2.825 5.004 347 HA ARG 48 HA ARG 48 -1.231 1.429 7.583 348 HB2 ARG 48 1HB ARG 48 -1.598 3.785 8.096 349 HB3 ARG 48 2HB ARG 48 -2.934 3.845 6.954 350 HG2 ARG 48 1HG ARG 48 -4.203 2.291 8.324 351 HG3 ARG 48 2HG ARG 48 -2.853 2.169 9.454 352 HD2 ARG 48 1HD ARG 48 -4.048 4.834 8.805 353 HD3 ARG 48 2HD ARG 48 -4.826 3.773 9.979 354 HE ARG 48 HE ARG 48 -2.174 3.921 10.722 355 HH11 ARG 48 2HH1 ARG 48 -4.826 6.138 10.306 356 HH12 ARG 48 1HH1 ARG 48 -4.263 7.242 11.517 357 HH21 ARG 48 2HH2 ARG 48 -1.423 5.366 12.318 358 HH22 ARG 48 1HH2 ARG 48 -2.327 6.803 12.660 359 H HIS 49 H HIS 49 -3.368 0.463 8.140 360 HA HIS 49 HA HIS 49 -5.272 0.087 6.015 361 HB2 HIS 49 1HB HIS 49 -3.666 -1.510 5.235 362 HB3 HIS 49 2HB HIS 49 -3.444 -2.166 6.854 363 HD1 HIS 49 1HD HIS 49 -6.060 -2.982 7.814 364 HD2 HIS 49 2HD HIS 49 -5.105 -3.255 3.780 365 HE1 HIS 49 1HE HIS 49 -7.651 -4.680 6.861 366 HE2 HIS 49 2HE HIS 49 -6.998 -4.892 4.437 367 H ASN 50 H ASN 50 -7.215 -0.113 6.909 368 HA ASN 50 HA ASN 50 -8.813 -0.228 8.540 369 HB2 ASN 50 1HB ASN 50 -8.194 -2.672 7.907 370 HB3 ASN 50 2HB ASN 50 -7.433 -2.722 9.495 371 HD21 ASN 50 1HD2 ASN 50 -9.270 -4.488 9.302 372 HD22 ASN 50 2HD2 ASN 50 -10.759 -4.024 10.043 373 H GLY 51 H GLY 51 -6.445 1.275 9.261 374 HA2 GLY 51 1HA GLY 51 -5.901 2.478 11.172 375 HA3 GLY 51 2HA GLY 51 -6.901 1.381 12.112 376 H ILE 52 H ILE 52 -4.407 0.204 9.981 377 HA ILE 52 HA ILE 52 -2.656 -0.300 12.287 378 HB ILE 52 HB ILE 52 -3.249 -2.369 10.172 379 HG12 ILE 52 1HG1 ILE 52 -4.114 -2.564 13.043 380 HG13 ILE 52 2HG1 ILE 52 -5.128 -1.744 11.861 381 HG21 ILE 52 1HG2 ILE 52 -1.773 -2.595 12.792 382 HG22 ILE 52 2HG2 ILE 52 -2.008 -3.875 11.603 383 HG23 ILE 52 3HG2 ILE 52 -1.014 -2.474 11.205 384 HD11 ILE 52 1HD1 ILE 52 -5.382 -3.733 10.589 385 HD12 ILE 52 2HD1 ILE 52 -4.158 -4.570 11.545 386 HD13 ILE 52 3HD1 ILE 52 -5.702 -4.133 12.276 387 H ASP 53 H ASP 53 -0.637 0.324 11.921 388 HA ASP 53 HA ASP 53 0.171 1.005 9.206 389 HB2 ASP 53 1HB ASP 53 1.821 2.362 10.148 390 HB3 ASP 53 2HB ASP 53 0.502 2.487 11.307 391 H GLY 54 H GLY 54 1.666 -0.065 8.040 392 HA2 GLY 54 1HA GLY 54 3.635 -1.777 9.201 393 HA3 GLY 54 2HA GLY 54 2.309 -2.702 8.511 394 H LEU 55 H LEU 55 3.776 -3.619 7.001 395 HA LEU 55 HA LEU 55 4.783 -1.772 4.951 396 HB2 LEU 55 1HB LEU 55 5.532 -4.581 5.705 397 HB3 LEU 55 2HB LEU 55 6.056 -3.844 4.192 398 HG LEU 55 HG LEU 55 6.675 -2.650 6.885 399 HD11 LEU 55 1HD1 LEU 55 7.847 -4.583 7.148 400 HD12 LEU 55 2HD1 LEU 55 9.017 -3.668 6.198 401 HD13 LEU 55 3HD1 LEU 55 7.989 -4.867 5.413 402 HD21 LEU 55 1HD2 LEU 55 6.927 -1.050 5.171 403 HD22 LEU 55 2HD2 LEU 55 7.672 -2.220 4.080 404 HD23 LEU 55 3HD2 LEU 55 8.551 -1.654 5.502 405 H ILE 56 H ILE 56 4.236 -1.995 2.810 406 HA ILE 56 HA ILE 56 2.167 -3.998 2.185 407 HB ILE 56 HB ILE 56 2.268 -1.112 1.311 408 HG12 ILE 56 1HG1 ILE 56 -0.088 -2.461 2.568 409 HG13 ILE 56 2HG1 ILE 56 1.257 -1.973 3.592 410 HG21 ILE 56 1HG2 ILE 56 1.329 -3.324 -0.151 411 HG22 ILE 56 2HG2 ILE 56 -0.094 -2.482 0.459 412 HG23 ILE 56 3HG2 ILE 56 1.097 -1.613 -0.507 413 HD11 ILE 56 1HD1 ILE 56 -0.795 -0.360 2.278 414 HD12 ILE 56 2HD1 ILE 56 0.147 -0.042 3.734 415 HD13 ILE 56 3HD1 ILE 56 0.841 0.284 2.146 416 HA PRO 57 HA PRO 57 5.002 -5.156 -1.019 417 HB2 PRO 57 1HB PRO 57 3.342 -6.868 -2.315 418 HB3 PRO 57 2HB PRO 57 4.140 -7.273 -0.791 419 HG2 PRO 57 1HG PRO 57 1.341 -6.327 -1.270 420 HG3 PRO 57 2HG PRO 57 1.919 -7.605 -0.186 421 HD2 PRO 57 1HD PRO 57 1.280 -5.127 0.696 422 HD3 PRO 57 2HD PRO 57 2.555 -6.108 1.446 423 H HIS 58 H HIS 58 5.458 -4.412 -3.020 424 HA HIS 58 HA HIS 58 3.563 -2.611 -4.266 425 HB2 HIS 58 1HB HIS 58 5.933 -1.973 -4.067 426 HB3 HIS 58 2HB HIS 58 6.386 -3.344 -5.075 427 HD2 HIS 58 2HD HIS 58 5.555 -3.092 -7.822 428 HE1 HIS 58 1HE HIS 58 5.016 1.107 -7.547 429 HE2 HIS 58 2HE HIS 58 5.126 -0.880 -9.091 430 H GLN 59 H GLN 59 4.061 -5.859 -4.402 431 HA GLN 59 HA GLN 59 3.570 -6.124 -7.268 432 HB2 GLN 59 1HB GLN 59 4.012 -8.234 -5.148 433 HB3 GLN 59 2HB GLN 59 3.845 -8.543 -6.871 434 HG2 GLN 59 1HG GLN 59 6.111 -8.569 -6.669 435 HG3 GLN 59 2HG GLN 59 5.851 -6.866 -7.047 436 HE21 GLN 59 1HE2 GLN 59 6.233 -5.326 -5.501 437 HE22 GLN 59 2HE2 GLN 59 7.006 -5.671 -3.995 438 H TYR 60 H TYR 60 1.901 -6.174 -4.268 439 HA TYR 60 HA TYR 60 -0.491 -7.277 -5.590 440 HB2 TYR 60 1HB TYR 60 0.214 -7.233 -2.649 441 HB3 TYR 60 2HB TYR 60 -1.301 -7.834 -3.315 442 HD1 TYR 60 2HD TYR 60 2.383 -8.344 -3.695 443 HD2 TYR 60 1HD TYR 60 -1.492 -10.102 -3.708 444 HE1 TYR 60 2HE TYR 60 3.398 -10.566 -3.981 445 HE2 TYR 60 1HE TYR 60 -0.488 -12.329 -3.992 446 HH TYR 60 HH TYR 60 2.740 -12.968 -3.479 447 H ILE 61 H ILE 61 0.431 -4.525 -5.741 448 HA ILE 61 HA ILE 61 -2.034 -3.241 -4.976 449 HB ILE 61 HB ILE 61 -1.038 -1.451 -3.670 450 HG12 ILE 61 1HG1 ILE 61 1.389 -2.057 -2.798 451 HG13 ILE 61 2HG1 ILE 61 1.487 -2.903 -4.339 452 HG21 ILE 61 1HG2 ILE 61 -1.872 -3.550 -2.581 453 HG22 ILE 61 2HG2 ILE 61 -0.195 -4.086 -2.484 454 HG23 ILE 61 3HG2 ILE 61 -0.706 -2.631 -1.629 455 HD11 ILE 61 1HD1 ILE 61 0.511 -0.493 -5.113 456 HD12 ILE 61 2HD1 ILE 61 1.541 -0.042 -3.754 457 HD13 ILE 61 3HD1 ILE 61 2.216 -0.942 -5.112 458 H VAL 62 H VAL 62 -2.327 -1.185 -5.966 459 HA VAL 62 HA VAL 62 -0.407 -0.634 -8.135 460 HB VAL 62 HB VAL 62 -3.403 -0.248 -8.172 461 HG11 VAL 62 1HG1 VAL 62 -1.590 0.078 -10.531 462 HG12 VAL 62 2HG1 VAL 62 -3.226 0.692 -10.287 463 HG13 VAL 62 3HG1 VAL 62 -1.872 1.420 -9.423 464 HG21 VAL 62 1HG2 VAL 62 -3.457 -2.384 -8.796 465 HG22 VAL 62 2HG2 VAL 62 -2.623 -1.897 -10.272 466 HG23 VAL 62 3HG2 VAL 62 -1.698 -2.470 -8.885 467 H VAL 63 H VAL 63 0.736 1.087 -7.478 468 HA VAL 63 HA VAL 63 -0.301 3.140 -5.802 469 HB VAL 63 HB VAL 63 2.203 3.102 -7.492 470 HG11 VAL 63 1HG1 VAL 63 1.022 5.137 -5.714 471 HG12 VAL 63 2HG1 VAL 63 2.746 4.826 -5.499 472 HG13 VAL 63 3HG1 VAL 63 2.127 5.321 -7.075 473 HG21 VAL 63 1HG2 VAL 63 3.339 2.578 -5.387 474 HG22 VAL 63 2HG2 VAL 63 1.782 2.530 -4.559 475 HG23 VAL 63 3HG2 VAL 63 2.155 1.340 -5.806 476 H GLN 64 H GLN 64 -1.922 4.372 -6.554 477 HA GLN 64 HA GLN 64 -2.197 5.128 -9.287 478 HB2 GLN 64 1HB GLN 64 -3.549 6.312 -6.857 479 HB3 GLN 64 2HB GLN 64 -4.072 6.482 -8.527 480 HG2 GLN 64 1HG GLN 64 -3.797 3.751 -7.385 481 HG3 GLN 64 2HG GLN 64 -5.184 4.735 -6.922 482 HE21 GLN 64 1HE2 GLN 64 -4.028 2.545 -9.119 483 HE22 GLN 64 2HE2 GLN 64 -5.172 2.796 -10.390 484 H ASP 65 H ASP 65 -0.144 6.093 -9.727 485 HA ASP 65 HA ASP 65 1.197 8.084 -8.521 486 HB2 ASP 65 1HB ASP 65 0.546 7.927 -11.471 487 HB3 ASP 65 2HB ASP 65 1.803 8.950 -10.781 488 H THR 66 H THR 66 -1.816 8.466 -10.309 489 HA THR 66 HA THR 66 -2.138 11.109 -9.077 490 HB THR 66 HB THR 66 -1.372 11.594 -11.324 491 HG1 THR 66 1HG THR 66 -3.504 12.547 -12.100 492 HG21 THR 66 1HG2 THR 66 -1.932 9.497 -12.417 493 HG22 THR 66 2HG2 THR 66 -2.660 10.843 -13.293 494 HG23 THR 66 3HG2 THR 66 -3.653 9.837 -12.238 495 H SER 67 H SER 67 -4.306 11.778 -8.794 496 HA SER 67 HA SER 67 -6.360 9.745 -9.318 497 HB2 SER 67 1HB SER 67 -5.406 9.711 -6.910 498 HB3 SER 67 2HB SER 67 -6.293 11.219 -6.695 499 HG SER 67 HG SER 67 -8.080 9.774 -7.702 500 H GLY 68 H GLY 68 -8.001 10.617 -10.386 501 HA2 GLY 68 1HA GLY 68 -9.523 12.144 -11.171 502 HA3 GLY 68 2HA GLY 68 -9.365 12.943 -9.613 503 HA PRO 69 HA PRO 69 -7.876 15.962 -12.730 504 HB2 PRO 69 1HB PRO 69 -8.870 18.122 -11.420 505 HB3 PRO 69 2HB PRO 69 -9.838 17.140 -12.525 506 HG2 PRO 69 1HG PRO 69 -9.721 17.068 -9.534 507 HG3 PRO 69 2HG PRO 69 -11.135 16.984 -10.601 508 HD2 PRO 69 1HD PRO 69 -10.042 14.788 -9.455 509 HD3 PRO 69 2HD PRO 69 -10.820 14.745 -11.050 510 H SER 70 H SER 70 -5.863 16.723 -12.630 511 HA SER 70 HA SER 70 -4.354 16.689 -10.230 512 HB2 SER 70 1HB SER 70 -3.837 17.557 -13.048 513 HB3 SER 70 2HB SER 70 -2.697 18.025 -11.786 514 HG SER 70 HG SER 70 -2.193 16.005 -12.814 515 H SER 71 H SER 71 -5.193 19.435 -12.352 516 HA SER 71 HA SER 71 -4.884 21.215 -10.033 517 HB2 SER 71 1HB SER 71 -3.490 21.660 -12.076 518 HB3 SER 71 2HB SER 71 -4.983 21.990 -12.956 519 HG SER 71 HG SER 71 -3.791 23.830 -11.940 520 H GLY 72 H GLY 72 -6.879 21.088 -9.069 521 HA2 GLY 72 1HA GLY 72 -9.130 21.436 -8.758 522 HA3 GLY 72 2HA GLY 72 -8.913 22.763 -9.890 Start of MODEL 8 1 H1 GLY 1 H GLY 1 0.627 29.998 7.762 2 HA2 GLY 1 1HA GLY 1 -0.458 30.032 10.507 3 HA3 GLY 1 2HA GLY 1 -1.172 29.149 9.167 4 H SER 2 H SER 2 -1.018 27.053 9.616 5 HA SER 2 HA SER 2 1.283 26.014 11.050 6 HB2 SER 2 1HB SER 2 -1.113 24.507 9.981 7 HB3 SER 2 2HB SER 2 0.049 23.936 11.178 8 HG SER 2 HG SER 2 -0.725 25.444 12.623 9 H SER 3 H SER 3 2.869 24.761 10.217 10 HA SER 3 HA SER 3 2.987 24.565 7.304 11 HB2 SER 3 1HB SER 3 5.022 24.494 9.501 12 HB3 SER 3 2HB SER 3 5.410 23.760 7.946 13 HG SER 3 HG SER 3 5.017 25.753 6.960 14 H GLY 4 H GLY 4 1.471 22.827 7.117 15 HA2 GLY 4 1HA GLY 4 2.710 20.220 7.711 16 HA3 GLY 4 2HA GLY 4 1.022 20.503 8.109 17 H SER 5 H SER 5 0.607 18.657 6.717 18 HA SER 5 HA SER 5 -0.116 17.717 4.776 19 HB2 SER 5 1HB SER 5 -1.222 20.127 4.765 20 HB3 SER 5 2HB SER 5 -0.149 20.361 3.385 21 HG SER 5 HG SER 5 -1.159 18.125 2.827 22 H SER 6 H SER 6 2.612 17.671 5.152 23 HA SER 6 HA SER 6 3.808 18.381 2.578 24 HB2 SER 6 1HB SER 6 4.882 18.848 4.902 25 HB3 SER 6 2HB SER 6 5.311 17.137 4.865 26 HG SER 6 HG SER 6 6.169 19.227 3.194 27 H GLY 7 H GLY 7 3.640 16.911 1.022 28 HA2 GLY 7 1HA GLY 7 3.914 14.903 -0.078 29 HA3 GLY 7 2HA GLY 7 4.629 14.254 1.391 30 H GLU 8 H GLU 8 1.443 15.297 0.173 31 HA GLU 8 HA GLU 8 -0.172 13.943 1.932 32 HB2 GLU 8 1HB GLU 8 -0.575 14.443 -1.019 33 HB3 GLU 8 2HB GLU 8 -1.836 13.832 0.043 34 HG2 GLU 8 1HG GLU 8 -1.361 15.926 1.458 35 HG3 GLU 8 2HG GLU 8 -0.540 16.526 0.019 36 HA PRO 9 HA PRO 9 0.302 9.633 1.254 37 HB2 PRO 9 1HB PRO 9 -2.221 8.745 1.721 38 HB3 PRO 9 2HB PRO 9 -1.151 9.319 3.006 39 HG2 PRO 9 1HG PRO 9 -3.365 10.761 1.599 40 HG3 PRO 9 2HG PRO 9 -2.967 10.736 3.326 41 HD2 PRO 9 1HD PRO 9 -2.275 12.788 1.701 42 HD3 PRO 9 2HD PRO 9 -1.285 12.294 3.090 43 H ILE 10 H ILE 10 -0.066 7.966 -0.229 44 HA ILE 10 HA ILE 10 -1.485 8.800 -2.666 45 HB ILE 10 HB ILE 10 0.677 6.715 -2.341 46 HG12 ILE 10 1HG1 ILE 10 0.800 9.413 -3.703 47 HG13 ILE 10 2HG1 ILE 10 1.405 9.099 -2.080 48 HG21 ILE 10 1HG2 ILE 10 0.012 7.717 -5.016 49 HG22 ILE 10 2HG2 ILE 10 0.369 6.079 -4.472 50 HG23 ILE 10 3HG2 ILE 10 -1.248 6.747 -4.254 51 HD11 ILE 10 1HD1 ILE 10 2.374 7.572 -4.471 52 HD12 ILE 10 2HD1 ILE 10 3.096 9.098 -3.960 53 HD13 ILE 10 3HD1 ILE 10 3.115 7.706 -2.877 54 H GLU 11 H GLU 11 -3.365 7.861 -3.075 55 HA GLU 11 HA GLU 11 -4.242 5.564 -1.588 56 HB2 GLU 11 1HB GLU 11 -5.475 7.380 -3.622 57 HB3 GLU 11 2HB GLU 11 -6.245 5.840 -3.267 58 HG2 GLU 11 1HG GLU 11 -6.804 6.451 -1.131 59 HG3 GLU 11 2HG GLU 11 -5.500 7.630 -1.010 60 H ALA 12 H ALA 12 -3.751 3.549 -2.112 61 HA ALA 12 HA ALA 12 -3.297 2.897 -4.950 62 HB1 ALA 12 1HB ALA 12 -1.417 1.883 -4.355 63 HB2 ALA 12 2HB ALA 12 -1.667 2.448 -2.702 64 HB3 ALA 12 3HB ALA 12 -2.286 0.873 -3.199 65 H ILE 13 H ILE 13 -3.668 0.449 -5.352 66 HA ILE 13 HA ILE 13 -6.098 -0.443 -3.955 67 HB ILE 13 HB ILE 13 -5.685 -0.492 -6.947 68 HG12 ILE 13 1HG1 ILE 13 -6.271 1.734 -6.036 69 HG13 ILE 13 2HG1 ILE 13 -7.554 1.066 -7.039 70 HG21 ILE 13 1HG2 ILE 13 -6.885 -2.427 -6.514 71 HG22 ILE 13 2HG2 ILE 13 -7.750 -1.707 -5.158 72 HG23 ILE 13 3HG2 ILE 13 -8.158 -1.243 -6.810 73 HD11 ILE 13 1HD1 ILE 13 -8.626 2.014 -5.189 74 HD12 ILE 13 2HD1 ILE 13 -8.619 0.277 -4.877 75 HD13 ILE 13 3HD1 ILE 13 -7.463 1.325 -4.056 76 H ALA 14 H ALA 14 -6.114 -2.537 -3.401 77 HA ALA 14 HA ALA 14 -3.802 -4.114 -3.577 78 HB1 ALA 14 1HB ALA 14 -4.972 -5.747 -2.410 79 HB2 ALA 14 2HB ALA 14 -5.779 -4.255 -1.927 80 HB3 ALA 14 3HB ALA 14 -6.516 -5.303 -3.139 81 H LYS 15 H LYS 15 -2.994 -5.212 -5.227 82 HA LYS 15 HA LYS 15 -4.490 -5.595 -7.646 83 HB2 LYS 15 1HB LYS 15 -1.691 -6.023 -6.756 84 HB3 LYS 15 2HB LYS 15 -2.252 -7.009 -8.100 85 HG2 LYS 15 1HG LYS 15 -3.085 -4.673 -9.006 86 HG3 LYS 15 2HG LYS 15 -1.802 -4.080 -7.950 87 HD2 LYS 15 1HD LYS 15 -0.787 -4.385 -10.053 88 HD3 LYS 15 2HD LYS 15 -0.289 -5.778 -9.089 89 HE2 LYS 15 1HE LYS 15 -0.894 -6.743 -11.107 90 HE3 LYS 15 2HE LYS 15 -2.351 -6.937 -10.133 91 HZ1 LYS 15 1HZ LYS 15 -2.821 -6.136 -12.385 92 HZ2 LYS 15 2HZ LYS 15 -1.897 -4.750 -12.091 93 HZ3 LYS 15 3HZ LYS 15 -3.313 -5.024 -11.208 94 H PHE 16 H PHE 16 -3.355 -7.637 -5.010 95 HA PHE 16 HA PHE 16 -5.269 -9.677 -5.779 96 HB2 PHE 16 1HB PHE 16 -2.470 -10.622 -5.281 97 HB3 PHE 16 2HB PHE 16 -3.785 -11.433 -6.124 98 HD1 PHE 16 2HD PHE 16 -4.420 -10.674 -8.415 99 HD2 PHE 16 1HD PHE 16 -0.926 -9.270 -6.431 100 HE1 PHE 16 2HE PHE 16 -3.504 -9.919 -10.570 101 HE2 PHE 16 1HE PHE 16 -0.005 -8.511 -8.583 102 HZ PHE 16 HZ PHE 16 -1.293 -8.837 -10.656 103 H ASP 17 H ASP 17 -6.135 -10.659 -4.046 104 HA ASP 17 HA ASP 17 -5.997 -9.729 -1.513 105 HB2 ASP 17 1HB ASP 17 -6.721 -12.049 -0.769 106 HB3 ASP 17 2HB ASP 17 -7.695 -11.304 -2.034 107 H TYR 18 H TYR 18 -4.214 -9.326 -0.371 108 HA TYR 18 HA TYR 18 -2.167 -11.437 -0.189 109 HB2 TYR 18 1HB TYR 18 -1.435 -9.260 -1.186 110 HB3 TYR 18 2HB TYR 18 -1.805 -8.484 0.349 111 HD1 TYR 18 2HD TYR 18 -0.539 -9.259 2.417 112 HD2 TYR 18 1HD TYR 18 0.638 -10.303 -1.537 113 HE1 TYR 18 2HE TYR 18 1.715 -9.802 3.238 114 HE2 TYR 18 1HE TYR 18 2.895 -10.850 -0.726 115 HH TYR 18 HH TYR 18 4.306 -10.725 1.018 116 H VAL 19 H VAL 19 -1.221 -11.872 1.845 117 HA VAL 19 HA VAL 19 -2.709 -10.852 4.171 118 HB VAL 19 HB VAL 19 -3.582 -13.057 3.755 119 HG11 VAL 19 1HG1 VAL 19 -1.271 -13.662 2.568 120 HG12 VAL 19 2HG1 VAL 19 -0.979 -14.418 4.136 121 HG13 VAL 19 3HG1 VAL 19 -2.380 -14.893 3.174 122 HG21 VAL 19 1HG2 VAL 19 -1.708 -13.711 5.946 123 HG22 VAL 19 2HG2 VAL 19 -2.649 -12.230 6.127 124 HG23 VAL 19 3HG2 VAL 19 -3.470 -13.775 5.902 125 H GLY 20 H GLY 20 -1.335 -9.793 5.435 126 HA2 GLY 20 1HA GLY 20 1.398 -9.707 5.285 127 HA3 GLY 20 2HA GLY 20 0.502 -9.378 6.760 128 H ARG 21 H ARG 21 2.734 -11.405 5.261 129 HA ARG 21 HA ARG 21 2.303 -13.856 6.541 130 HB2 ARG 21 1HB ARG 21 4.781 -12.521 5.474 131 HB3 ARG 21 2HB ARG 21 4.843 -14.110 6.227 132 HG2 ARG 21 1HG ARG 21 3.409 -15.035 4.558 133 HG3 ARG 21 2HG ARG 21 3.087 -13.438 3.879 134 HD2 ARG 21 1HD ARG 21 5.480 -13.240 3.302 135 HD3 ARG 21 2HD ARG 21 5.739 -14.875 3.910 136 HE ARG 21 HE ARG 21 4.607 -14.130 1.386 137 HH11 ARG 21 2HH1 ARG 21 4.678 -16.588 3.850 138 HH12 ARG 21 1HH1 ARG 21 4.218 -17.865 2.773 139 HH21 ARG 21 2HH2 ARG 21 4.000 -15.802 -0.042 140 HH22 ARG 21 1HH2 ARG 21 3.833 -17.417 0.560 141 H THR 22 H THR 22 3.925 -10.930 7.617 142 HA THR 22 HA THR 22 4.193 -12.143 10.290 143 HB THR 22 HB THR 22 6.189 -10.746 10.671 144 HG1 THR 22 1HG THR 22 6.172 -10.210 7.881 145 HG21 THR 22 1HG2 THR 22 7.457 -12.439 9.954 146 HG22 THR 22 2HG2 THR 22 7.130 -12.052 8.265 147 HG23 THR 22 3HG2 THR 22 6.018 -13.082 9.165 148 H ALA 23 H ALA 23 4.657 -10.214 11.927 149 HA ALA 23 HA ALA 23 2.274 -8.732 12.096 150 HB1 ALA 23 1HB ALA 23 4.617 -9.147 13.703 151 HB2 ALA 23 2HB ALA 23 4.164 -7.442 13.713 152 HB3 ALA 23 3HB ALA 23 2.992 -8.669 14.195 153 H ARG 24 H ARG 24 5.491 -7.893 10.927 154 HA ARG 24 HA ARG 24 5.114 -5.119 10.696 155 HB2 ARG 24 1HB ARG 24 6.950 -7.092 9.382 156 HB3 ARG 24 2HB ARG 24 6.911 -5.424 8.826 157 HG2 ARG 24 1HG ARG 24 7.424 -6.232 11.678 158 HG3 ARG 24 2HG ARG 24 8.691 -5.921 10.490 159 HD2 ARG 24 1HD ARG 24 7.826 -3.641 10.190 160 HD3 ARG 24 2HD ARG 24 6.592 -3.959 11.408 161 HE ARG 24 HE ARG 24 8.191 -3.745 13.056 162 HH11 ARG 24 2HH1 ARG 24 9.705 -3.818 9.923 163 HH12 ARG 24 1HH1 ARG 24 11.257 -3.327 10.517 164 HH21 ARG 24 2HH2 ARG 24 10.229 -3.098 13.851 165 HH22 ARG 24 1HH2 ARG 24 11.554 -2.919 12.752 166 H GLU 25 H GLU 25 4.709 -7.715 8.295 167 HA GLU 25 HA GLU 25 3.858 -6.055 6.188 168 HB2 GLU 25 1HB GLU 25 3.376 -8.984 6.739 169 HB3 GLU 25 2HB GLU 25 2.883 -8.187 5.252 170 HG2 GLU 25 1HG GLU 25 5.183 -7.649 4.737 171 HG3 GLU 25 2HG GLU 25 5.712 -8.347 6.266 172 H LEU 26 H LEU 26 1.630 -6.247 5.181 173 HA LEU 26 HA LEU 26 -0.428 -6.070 7.283 174 HB2 LEU 26 1HB LEU 26 -0.211 -4.468 4.738 175 HB3 LEU 26 2HB LEU 26 -1.549 -4.385 5.883 176 HG LEU 26 HG LEU 26 1.301 -3.629 6.524 177 HD11 LEU 26 1HD1 LEU 26 0.939 -1.677 5.544 178 HD12 LEU 26 2HD1 LEU 26 -0.465 -1.415 6.577 179 HD13 LEU 26 3HD1 LEU 26 -0.655 -2.221 5.020 180 HD21 LEU 26 1HD2 LEU 26 -1.212 -2.984 8.047 181 HD22 LEU 26 2HD2 LEU 26 0.463 -2.786 8.566 182 HD23 LEU 26 3HD2 LEU 26 -0.222 -4.403 8.391 183 H SER 27 H SER 27 -2.497 -6.840 6.802 184 HA SER 27 HA SER 27 -2.587 -8.686 4.512 185 HB2 SER 27 1HB SER 27 -4.089 -8.740 7.139 186 HB3 SER 27 2HB SER 27 -4.365 -9.869 5.813 187 HG SER 27 HG SER 27 -2.745 -10.317 7.667 188 H PHE 28 H PHE 28 -3.819 -8.107 2.864 189 HA PHE 28 HA PHE 28 -6.314 -6.658 3.379 190 HB2 PHE 28 1HB PHE 28 -5.804 -5.271 1.301 191 HB3 PHE 28 2HB PHE 28 -4.888 -4.875 2.752 192 HD1 PHE 28 1HD PHE 28 -4.726 -6.553 -0.525 193 HD2 PHE 28 2HD PHE 28 -2.534 -5.091 2.817 194 HE1 PHE 28 1HE PHE 28 -2.628 -6.847 -1.777 195 HE2 PHE 28 2HE PHE 28 -0.433 -5.381 1.571 196 HZ PHE 28 HZ PHE 28 -0.478 -6.259 -0.729 197 H LYS 29 H LYS 29 -7.660 -6.558 1.300 198 HA LYS 29 HA LYS 29 -7.405 -9.133 -0.113 199 HB2 LYS 29 1HB LYS 29 -9.886 -7.625 0.722 200 HB3 LYS 29 2HB LYS 29 -9.905 -9.007 -0.365 201 HG2 LYS 29 1HG LYS 29 -10.380 -10.019 1.627 202 HG3 LYS 29 2HG LYS 29 -8.622 -10.180 1.592 203 HD2 LYS 29 1HD LYS 29 -8.951 -9.376 3.723 204 HD3 LYS 29 2HD LYS 29 -8.690 -7.874 2.833 205 HE2 LYS 29 1HE LYS 29 -11.162 -7.658 2.611 206 HE3 LYS 29 2HE LYS 29 -11.335 -9.070 3.653 207 HZ1 LYS 29 1HZ LYS 29 -11.164 -7.748 5.401 208 HZ2 LYS 29 2HZ LYS 29 -10.981 -6.396 4.402 209 HZ3 LYS 29 3HZ LYS 29 -9.619 -7.259 4.915 210 H LYS 30 H LYS 30 -7.948 -9.204 -2.318 211 HA LYS 30 HA LYS 30 -7.049 -7.180 -3.929 212 HB2 LYS 30 1HB LYS 30 -7.594 -9.571 -4.579 213 HB3 LYS 30 2HB LYS 30 -9.268 -9.057 -4.741 214 HG2 LYS 30 1HG LYS 30 -8.498 -7.357 -6.404 215 HG3 LYS 30 2HG LYS 30 -6.900 -8.105 -6.332 216 HD2 LYS 30 1HD LYS 30 -9.294 -9.806 -6.872 217 HD3 LYS 30 2HD LYS 30 -8.621 -8.821 -8.172 218 HE2 LYS 30 1HE LYS 30 -7.478 -10.809 -8.439 219 HE3 LYS 30 2HE LYS 30 -6.361 -9.879 -7.441 220 HZ1 LYS 30 1HZ LYS 30 -7.931 -11.124 -5.619 221 HZ2 LYS 30 2HZ LYS 30 -6.397 -11.644 -6.105 222 HZ3 LYS 30 3HZ LYS 30 -7.779 -12.299 -6.827 223 H GLY 31 H GLY 31 -7.779 -5.254 -4.570 224 HA2 GLY 31 1HA GLY 31 -9.407 -3.723 -5.325 225 HA3 GLY 31 2HA GLY 31 -10.656 -4.735 -4.615 226 H ALA 32 H ALA 32 -9.187 -4.932 -2.056 227 HA ALA 32 HA ALA 32 -10.438 -2.938 -0.618 228 HB1 ALA 32 1HB ALA 32 -9.634 -4.850 0.530 229 HB2 ALA 32 2HB ALA 32 -7.972 -4.536 0.030 230 HB3 ALA 32 3HB ALA 32 -8.763 -3.464 1.186 231 H SER 33 H SER 33 -10.053 -0.854 -0.186 232 HA SER 33 HA SER 33 -7.987 0.525 -1.597 233 HB2 SER 33 1HB SER 33 -10.231 1.507 -1.167 234 HB3 SER 33 2HB SER 33 -9.842 1.579 0.552 235 HG SER 33 HG SER 33 -9.097 3.245 -1.469 236 H LEU 34 H LEU 34 -6.042 1.196 -0.916 237 HA LEU 34 HA LEU 34 -5.414 0.998 1.950 238 HB2 LEU 34 1HB LEU 34 -3.541 0.170 -0.257 239 HB3 LEU 34 2HB LEU 34 -3.284 0.011 1.479 240 HG LEU 34 HG LEU 34 -5.590 -1.417 0.246 241 HD11 LEU 34 1HD1 LEU 34 -2.704 -2.228 -0.015 242 HD12 LEU 34 2HD1 LEU 34 -3.889 -2.010 -1.302 243 HD13 LEU 34 3HD1 LEU 34 -4.052 -3.354 -0.172 244 HD21 LEU 34 1HD2 LEU 34 -5.065 -1.322 2.722 245 HD22 LEU 34 2HD2 LEU 34 -3.647 -2.308 2.363 246 HD23 LEU 34 3HD2 LEU 34 -5.263 -2.930 2.027 247 H LEU 35 H LEU 35 -4.047 2.546 2.763 248 HA LEU 35 HA LEU 35 -3.490 4.797 0.967 249 HB2 LEU 35 1HB LEU 35 -4.784 4.873 3.270 250 HB3 LEU 35 2HB LEU 35 -3.148 4.983 3.916 251 HG LEU 35 HG LEU 35 -2.814 6.985 2.418 252 HD11 LEU 35 1HD1 LEU 35 -5.817 6.893 2.202 253 HD12 LEU 35 2HD1 LEU 35 -4.714 6.441 0.903 254 HD13 LEU 35 3HD1 LEU 35 -4.727 8.096 1.512 255 HD21 LEU 35 1HD2 LEU 35 -4.072 6.731 4.928 256 HD22 LEU 35 2HD2 LEU 35 -4.934 7.993 4.047 257 HD23 LEU 35 3HD2 LEU 35 -3.191 8.118 4.287 258 H LEU 36 H LEU 36 -1.462 5.642 0.710 259 HA LEU 36 HA LEU 36 0.744 4.112 1.927 260 HB2 LEU 36 1HB LEU 36 0.696 5.520 -0.738 261 HB3 LEU 36 2HB LEU 36 2.058 4.628 -0.064 262 HG LEU 36 HG LEU 36 -0.571 3.505 -1.019 263 HD11 LEU 36 1HD1 LEU 36 2.186 3.651 -2.086 264 HD12 LEU 36 2HD1 LEU 36 0.638 3.671 -2.930 265 HD13 LEU 36 3HD1 LEU 36 1.299 2.147 -2.337 266 HD21 LEU 36 1HD2 LEU 36 1.611 2.303 0.632 267 HD22 LEU 36 2HD2 LEU 36 0.710 1.302 -0.506 268 HD23 LEU 36 3HD2 LEU 36 -0.138 2.140 0.794 269 H TYR 37 H TYR 37 2.377 5.199 2.903 270 HA TYR 37 HA TYR 37 2.108 8.128 3.040 271 HB2 TYR 37 1HB TYR 37 3.325 6.218 5.047 272 HB3 TYR 37 2HB TYR 37 3.249 7.968 5.225 273 HD1 TYR 37 1HD TYR 37 0.585 8.700 4.489 274 HD2 TYR 37 2HD TYR 37 1.899 5.227 6.565 275 HE1 TYR 37 1HE TYR 37 -1.628 8.501 5.542 276 HE2 TYR 37 2HE TYR 37 -0.311 5.017 7.623 277 HH TYR 37 HH TYR 37 -2.924 6.130 6.664 278 H GLN 38 H GLN 38 4.515 5.512 3.025 279 HA GLN 38 HA GLN 38 6.261 7.098 1.357 280 HB2 GLN 38 1HB GLN 38 6.905 6.468 4.216 281 HB3 GLN 38 2HB GLN 38 8.197 6.578 3.028 282 HG2 GLN 38 1HG GLN 38 7.476 8.858 2.477 283 HG3 GLN 38 2HG GLN 38 6.222 8.744 3.710 284 HE21 GLN 38 1HE2 GLN 38 9.710 8.138 3.417 285 HE22 GLN 38 2HE2 GLN 38 10.141 8.911 4.901 286 H ARG 39 H ARG 39 7.831 5.875 0.287 287 HA ARG 39 HA ARG 39 7.203 3.083 0.047 288 HB2 ARG 39 1HB ARG 39 7.772 4.384 -1.933 289 HB3 ARG 39 2HB ARG 39 9.353 4.757 -1.261 290 HG2 ARG 39 1HG ARG 39 9.918 3.054 -2.655 291 HG3 ARG 39 2HG ARG 39 9.564 2.131 -1.194 292 HD2 ARG 39 1HD ARG 39 7.534 1.372 -2.010 293 HD3 ARG 39 2HD ARG 39 7.393 2.692 -3.170 294 HE ARG 39 HE ARG 39 8.704 0.176 -3.570 295 HH11 ARG 39 2HH1 ARG 39 8.635 3.524 -4.522 296 HH12 ARG 39 1HH1 ARG 39 9.346 3.232 -6.075 297 HH21 ARG 39 2HH2 ARG 39 9.641 -0.221 -5.611 298 HH22 ARG 39 1HH2 ARG 39 9.918 1.102 -6.693 299 H ALA 40 H ALA 40 7.811 1.887 1.775 300 HA ALA 40 HA ALA 40 10.049 2.253 3.384 301 HB1 ALA 40 1HB ALA 40 9.428 -0.542 3.174 302 HB2 ALA 40 2HB ALA 40 9.132 0.574 4.509 303 HB3 ALA 40 3HB ALA 40 7.945 0.412 3.215 304 H SER 41 H SER 41 9.665 0.302 0.455 305 HA SER 41 HA SER 41 12.479 0.468 -0.096 306 HB2 SER 41 1HB SER 41 12.002 -1.537 1.565 307 HB3 SER 41 2HB SER 41 11.496 -2.350 0.084 308 HG SER 41 HG SER 41 13.951 -2.011 0.969 309 H ASP 42 H ASP 42 12.971 -1.013 -2.092 310 HA ASP 42 HA ASP 42 11.325 -0.145 -4.195 311 HB2 ASP 42 1HB ASP 42 13.387 -2.358 -4.145 312 HB3 ASP 42 2HB ASP 42 12.675 -1.681 -5.607 313 H ASP 43 H ASP 43 11.195 -2.948 -2.178 314 HA ASP 43 HA ASP 43 8.961 -3.980 -3.800 315 HB2 ASP 43 1HB ASP 43 11.195 -5.439 -2.432 316 HB3 ASP 43 2HB ASP 43 9.639 -6.232 -2.658 317 H TRP 44 H TRP 44 8.981 -2.083 -1.545 318 HA TRP 44 HA TRP 44 6.907 -3.354 0.007 319 HB2 TRP 44 1HB TRP 44 9.514 -2.509 1.274 320 HB3 TRP 44 2HB TRP 44 8.026 -2.715 2.194 321 HD1 TRP 44 HD TRP 44 11.001 -4.585 1.164 322 HE1 TRP 44 1HE TRP 44 10.668 -7.114 1.505 323 HE3 TRP 44 3HE TRP 44 5.937 -4.650 1.864 324 HZ2 TRP 44 2HZ TRP 44 8.540 -8.901 2.004 325 HZ3 TRP 44 3HZ TRP 44 4.830 -6.810 2.267 326 HH2 TRP 44 HH TRP 44 6.106 -8.890 2.335 327 H TRP 45 H TRP 45 5.861 -1.807 1.512 328 HA TRP 45 HA TRP 45 6.376 1.006 0.895 329 HB2 TRP 45 1HB TRP 45 3.864 -0.504 0.284 330 HB3 TRP 45 2HB TRP 45 3.758 1.192 0.745 331 HD1 TRP 45 HD TRP 45 5.172 -1.061 -2.032 332 HE1 TRP 45 1HE TRP 45 5.545 0.378 -4.133 333 HE3 TRP 45 3HE TRP 45 4.136 3.540 -0.058 334 HZ2 TRP 45 2HZ TRP 45 5.418 3.103 -4.857 335 HZ3 TRP 45 3HZ TRP 45 4.286 5.512 -1.522 336 HH2 TRP 45 HH TRP 45 4.914 5.296 -3.871 337 H GLU 46 H GLU 46 5.257 2.488 2.366 338 HA GLU 46 HA GLU 46 4.670 1.220 4.961 339 HB2 GLU 46 1HB GLU 46 6.035 3.869 4.453 340 HB3 GLU 46 2HB GLU 46 5.617 3.230 6.037 341 HG2 GLU 46 1HG GLU 46 7.058 1.183 5.192 342 HG3 GLU 46 2HG GLU 46 7.778 2.428 4.173 343 H GLY 47 H GLY 47 2.454 1.225 4.808 344 HA2 GLY 47 1HA GLY 47 1.212 3.898 4.837 345 HA3 GLY 47 2HA GLY 47 0.541 2.626 3.827 346 H ARG 48 H ARG 48 -1.443 2.884 4.992 347 HA ARG 48 HA ARG 48 -1.413 1.437 7.551 348 HB2 ARG 48 1HB ARG 48 -1.745 3.700 8.198 349 HB3 ARG 48 2HB ARG 48 -2.885 3.982 6.888 350 HG2 ARG 48 1HG ARG 48 -4.322 2.186 8.063 351 HG3 ARG 48 2HG ARG 48 -3.291 2.512 9.458 352 HD2 ARG 48 1HD ARG 48 -4.981 4.012 9.832 353 HD3 ARG 48 2HD ARG 48 -3.871 5.011 8.895 354 HE ARG 48 HE ARG 48 -5.463 3.955 6.996 355 HH11 ARG 48 2HH1 ARG 48 -6.128 5.596 9.993 356 HH12 ARG 48 1HH1 ARG 48 -7.621 6.279 9.439 357 HH21 ARG 48 2HH2 ARG 48 -7.427 4.849 6.254 358 HH22 ARG 48 1HH2 ARG 48 -8.359 5.853 7.313 359 H HIS 49 H HIS 49 -3.222 0.143 7.976 360 HA HIS 49 HA HIS 49 -5.160 -0.152 5.789 361 HB2 HIS 49 1HB HIS 49 -3.509 -1.889 5.434 362 HB3 HIS 49 2HB HIS 49 -3.622 -2.391 7.118 363 HD1 HIS 49 1HD HIS 49 -5.049 -4.369 7.470 364 HD2 HIS 49 2HD HIS 49 -6.199 -2.225 4.102 365 HE1 HIS 49 1HE HIS 49 -6.939 -5.679 6.452 366 HE2 HIS 49 2HE HIS 49 -7.562 -4.408 4.369 367 H ASN 50 H ASN 50 -6.850 0.720 6.917 368 HA ASN 50 HA ASN 50 -8.606 0.805 8.359 369 HB2 ASN 50 1HB ASN 50 -8.776 -1.612 7.678 370 HB3 ASN 50 2HB ASN 50 -7.849 -2.022 9.119 371 HD21 ASN 50 1HD2 ASN 50 -9.474 -3.194 10.064 372 HD22 ASN 50 2HD2 ASN 50 -10.916 -2.473 10.686 373 H GLY 51 H GLY 51 -5.939 1.605 9.234 374 HA2 GLY 51 1HA GLY 51 -5.497 2.722 11.296 375 HA3 GLY 51 2HA GLY 51 -6.451 1.501 12.125 376 H ILE 52 H ILE 52 -4.817 -0.392 10.188 377 HA ILE 52 HA ILE 52 -2.702 -0.845 12.155 378 HB ILE 52 HB ILE 52 -3.578 -2.604 9.861 379 HG12 ILE 52 1HG1 ILE 52 -4.366 -3.971 12.000 380 HG13 ILE 52 2HG1 ILE 52 -4.461 -2.359 12.700 381 HG21 ILE 52 1HG2 ILE 52 -2.366 -4.316 11.419 382 HG22 ILE 52 2HG2 ILE 52 -1.437 -3.314 10.306 383 HG23 ILE 52 3HG2 ILE 52 -1.532 -2.880 12.012 384 HD11 ILE 52 1HD1 ILE 52 -6.001 -1.670 10.968 385 HD12 ILE 52 2HD1 ILE 52 -5.863 -3.248 10.192 386 HD13 ILE 52 3HD1 ILE 52 -6.600 -3.111 11.789 387 H ASP 53 H ASP 53 -0.789 0.041 11.782 388 HA ASP 53 HA ASP 53 0.023 0.662 9.047 389 HB2 ASP 53 1HB ASP 53 1.531 2.198 9.942 390 HB3 ASP 53 2HB ASP 53 0.189 2.273 11.080 391 H GLY 54 H GLY 54 1.654 -0.329 7.988 392 HA2 GLY 54 1HA GLY 54 3.688 -1.844 9.302 393 HA3 GLY 54 2HA GLY 54 2.463 -2.890 8.600 394 H LEU 55 H LEU 55 3.527 -3.790 6.925 395 HA LEU 55 HA LEU 55 4.752 -1.960 4.967 396 HB2 LEU 55 1HB LEU 55 5.430 -4.793 5.708 397 HB3 LEU 55 2HB LEU 55 6.012 -4.035 4.227 398 HG LEU 55 HG LEU 55 6.603 -3.056 7.020 399 HD11 LEU 55 1HD1 LEU 55 7.708 -5.149 6.709 400 HD12 LEU 55 2HD1 LEU 55 8.905 -3.871 6.504 401 HD13 LEU 55 3HD1 LEU 55 8.240 -4.691 5.092 402 HD21 LEU 55 1HD2 LEU 55 6.614 -1.278 5.357 403 HD22 LEU 55 2HD2 LEU 55 7.693 -2.225 4.332 404 HD23 LEU 55 3HD2 LEU 55 8.254 -1.637 5.898 405 H ILE 56 H ILE 56 4.259 -2.194 2.808 406 HA ILE 56 HA ILE 56 2.179 -4.170 2.140 407 HB ILE 56 HB ILE 56 2.271 -1.275 1.287 408 HG12 ILE 56 1HG1 ILE 56 0.036 -2.727 2.694 409 HG13 ILE 56 2HG1 ILE 56 1.339 -1.945 3.583 410 HG21 ILE 56 1HG2 ILE 56 -0.107 -2.655 0.484 411 HG22 ILE 56 2HG2 ILE 56 1.058 -1.773 -0.503 412 HG23 ILE 56 3HG2 ILE 56 1.311 -3.484 -0.157 413 HD11 ILE 56 1HD1 ILE 56 0.743 0.194 2.644 414 HD12 ILE 56 2HD1 ILE 56 -0.500 -0.562 1.647 415 HD13 ILE 56 3HD1 ILE 56 -0.666 -0.548 3.402 416 HA PRO 57 HA PRO 57 5.068 -5.240 -1.052 417 HB2 PRO 57 1HB PRO 57 3.451 -6.978 -2.369 418 HB3 PRO 57 2HB PRO 57 4.253 -7.378 -0.846 419 HG2 PRO 57 1HG PRO 57 1.435 -6.491 -1.328 420 HG3 PRO 57 2HG PRO 57 2.038 -7.766 -0.253 421 HD2 PRO 57 1HD PRO 57 1.339 -5.310 0.649 422 HD3 PRO 57 2HD PRO 57 2.634 -6.269 1.395 423 H HIS 58 H HIS 58 5.511 -4.481 -3.053 424 HA HIS 58 HA HIS 58 3.592 -2.698 -4.284 425 HB2 HIS 58 1HB HIS 58 5.973 -2.059 -4.080 426 HB3 HIS 58 2HB HIS 58 6.409 -3.399 -5.136 427 HD2 HIS 58 2HD HIS 58 5.551 -3.065 -7.860 428 HE1 HIS 58 1HE HIS 58 4.971 1.118 -7.450 429 HE2 HIS 58 2HE HIS 58 5.083 -0.819 -9.056 430 H GLN 59 H GLN 59 4.037 -5.930 -4.414 431 HA GLN 59 HA GLN 59 3.578 -6.195 -7.289 432 HB2 GLN 59 1HB GLN 59 3.965 -8.336 -5.190 433 HB3 GLN 59 2HB GLN 59 3.883 -8.595 -6.928 434 HG2 GLN 59 1HG GLN 59 6.140 -8.631 -6.587 435 HG3 GLN 59 2HG GLN 59 5.891 -6.930 -6.978 436 HE21 GLN 59 1HE2 GLN 59 6.671 -5.480 -5.618 437 HE22 GLN 59 2HE2 GLN 59 7.177 -5.785 -3.995 438 H TYR 60 H TYR 60 1.916 -6.316 -4.269 439 HA TYR 60 HA TYR 60 -0.476 -7.401 -5.601 440 HB2 TYR 60 1HB TYR 60 0.162 -7.290 -2.646 441 HB3 TYR 60 2HB TYR 60 -1.292 -7.980 -3.358 442 HD1 TYR 60 2HD TYR 60 2.424 -8.303 -3.628 443 HD2 TYR 60 1HD TYR 60 -1.351 -10.266 -3.665 444 HE1 TYR 60 2HE TYR 60 3.562 -10.475 -3.827 445 HE2 TYR 60 1HE TYR 60 -0.224 -12.443 -3.863 446 HH TYR 60 HH TYR 60 3.163 -12.805 -3.425 447 H ILE 61 H ILE 61 0.476 -4.634 -5.734 448 HA ILE 61 HA ILE 61 -2.011 -3.349 -5.047 449 HB ILE 61 HB ILE 61 -1.068 -1.572 -3.695 450 HG12 ILE 61 1HG1 ILE 61 1.353 -2.219 -2.767 451 HG13 ILE 61 2HG1 ILE 61 1.483 -2.958 -4.359 452 HG21 ILE 61 1HG2 ILE 61 -1.914 -3.671 -2.635 453 HG22 ILE 61 2HG2 ILE 61 -0.242 -4.217 -2.517 454 HG23 ILE 61 3HG2 ILE 61 -0.759 -2.770 -1.653 455 HD11 ILE 61 1HD1 ILE 61 0.618 -0.112 -4.013 456 HD12 ILE 61 2HD1 ILE 61 2.319 -0.572 -4.085 457 HD13 ILE 61 3HD1 ILE 61 1.256 -0.909 -5.451 458 H VAL 62 H VAL 62 -2.257 -1.275 -6.025 459 HA VAL 62 HA VAL 62 -0.275 -0.734 -8.141 460 HB VAL 62 HB VAL 62 -3.254 -0.245 -8.266 461 HG11 VAL 62 1HG1 VAL 62 -2.743 0.165 -10.694 462 HG12 VAL 62 2HG1 VAL 62 -2.144 1.395 -9.579 463 HG13 VAL 62 3HG1 VAL 62 -1.036 0.198 -10.252 464 HG21 VAL 62 1HG2 VAL 62 -1.514 -2.439 -9.334 465 HG22 VAL 62 2HG2 VAL 62 -3.038 -2.558 -8.454 466 HG23 VAL 62 3HG2 VAL 62 -3.028 -2.010 -10.130 467 H VAL 63 H VAL 63 0.593 1.241 -8.204 468 HA VAL 63 HA VAL 63 -0.287 3.209 -6.248 469 HB VAL 63 HB VAL 63 2.123 3.129 -8.064 470 HG11 VAL 63 1HG1 VAL 63 1.399 5.183 -5.977 471 HG12 VAL 63 2HG1 VAL 63 2.915 5.111 -6.878 472 HG13 VAL 63 3HG1 VAL 63 1.400 5.439 -7.722 473 HG21 VAL 63 1HG2 VAL 63 2.550 3.251 -5.193 474 HG22 VAL 63 2HG2 VAL 63 1.631 1.827 -5.678 475 HG23 VAL 63 3HG2 VAL 63 3.216 2.138 -6.388 476 H GLN 64 H GLN 64 -1.870 4.537 -6.846 477 HA GLN 64 HA GLN 64 -2.318 5.220 -9.610 478 HB2 GLN 64 1HB GLN 64 -3.689 6.250 -7.121 479 HB3 GLN 64 2HB GLN 64 -4.246 6.471 -8.774 480 HG2 GLN 64 1HG GLN 64 -3.825 3.712 -7.734 481 HG3 GLN 64 2HG GLN 64 -5.267 4.610 -7.261 482 HE21 GLN 64 1HE2 GLN 64 -4.321 2.332 -9.269 483 HE22 GLN 64 2HE2 GLN 64 -5.327 2.646 -10.638 484 H ASP 65 H ASP 65 -0.852 6.573 -10.470 485 HA ASP 65 HA ASP 65 0.661 8.500 -9.211 486 HB2 ASP 65 1HB ASP 65 1.378 8.121 -11.364 487 HB3 ASP 65 2HB ASP 65 -0.258 8.097 -12.018 488 H THR 66 H THR 66 -2.540 8.857 -10.687 489 HA THR 66 HA THR 66 -2.694 11.620 -9.750 490 HB THR 66 HB THR 66 -3.445 11.133 -12.047 491 HG1 THR 66 1HG THR 66 -5.794 11.780 -10.643 492 HG21 THR 66 1HG2 THR 66 -5.143 9.673 -12.586 493 HG22 THR 66 2HG2 THR 66 -5.870 9.758 -10.982 494 HG23 THR 66 3HG2 THR 66 -4.397 8.822 -11.234 495 H SER 67 H SER 67 -3.608 12.117 -7.877 496 HA SER 67 HA SER 67 -5.790 10.451 -6.853 497 HB2 SER 67 1HB SER 67 -3.281 11.192 -5.342 498 HB3 SER 67 2HB SER 67 -4.757 10.654 -4.542 499 HG SER 67 HG SER 67 -2.928 9.221 -6.058 500 H GLY 68 H GLY 68 -7.455 11.624 -6.138 501 HA2 GLY 68 1HA GLY 68 -7.524 13.837 -4.573 502 HA3 GLY 68 2HA GLY 68 -7.266 14.504 -6.179 503 HA PRO 69 HA PRO 69 -11.828 13.310 -5.245 504 HB2 PRO 69 1HB PRO 69 -12.762 15.654 -4.243 505 HB3 PRO 69 2HB PRO 69 -12.135 14.355 -3.221 506 HG2 PRO 69 1HG PRO 69 -10.776 16.853 -4.157 507 HG3 PRO 69 2HG PRO 69 -10.753 16.101 -2.551 508 HD2 PRO 69 1HD PRO 69 -8.723 15.821 -4.321 509 HD3 PRO 69 2HD PRO 69 -9.163 14.548 -3.163 510 H SER 70 H SER 70 -12.690 13.358 -7.222 511 HA SER 70 HA SER 70 -12.588 15.872 -8.750 512 HB2 SER 70 1HB SER 70 -12.656 12.987 -9.595 513 HB3 SER 70 2HB SER 70 -13.165 14.261 -10.703 514 HG SER 70 HG SER 70 -11.105 15.206 -10.447 515 H SER 71 H SER 71 -14.703 13.010 -8.472 516 HA SER 71 HA SER 71 -17.012 14.832 -8.408 517 HB2 SER 71 1HB SER 71 -16.890 12.232 -9.954 518 HB3 SER 71 2HB SER 71 -18.268 13.328 -9.861 519 HG SER 71 HG SER 71 -15.855 13.604 -11.247 520 H GLY 72 H GLY 72 -18.484 14.404 -6.869 521 HA2 GLY 72 1HA GLY 72 -17.994 12.063 -5.169 522 HA3 GLY 72 2HA GLY 72 -18.898 13.499 -4.710 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -0.939 25.033 14.423 2 HA2 GLY 1 1HA GLY 1 -1.017 22.344 14.275 3 HA3 GLY 1 2HA GLY 1 -0.837 22.795 12.586 4 H SER 2 H SER 2 1.163 21.475 12.906 5 HA SER 2 HA SER 2 3.321 23.060 14.127 6 HB2 SER 2 1HB SER 2 2.962 20.114 13.677 7 HB3 SER 2 2HB SER 2 4.582 20.790 13.843 8 HG SER 2 HG SER 2 4.033 20.346 15.886 9 H SER 3 H SER 3 4.874 23.904 12.886 10 HA SER 3 HA SER 3 4.657 24.143 10.142 11 HB2 SER 3 1HB SER 3 6.055 25.596 11.608 12 HB3 SER 3 2HB SER 3 7.233 24.289 11.726 13 HG SER 3 HG SER 3 7.087 24.445 9.265 14 H GLY 4 H GLY 4 5.596 23.148 8.375 15 HA2 GLY 4 1HA GLY 4 7.563 21.400 8.034 16 HA3 GLY 4 2HA GLY 4 6.374 20.371 8.819 17 H SER 5 H SER 5 7.597 20.607 6.004 18 HA SER 5 HA SER 5 5.254 21.067 4.363 19 HB2 SER 5 1HB SER 5 8.147 20.568 3.868 20 HB3 SER 5 2HB SER 5 7.016 20.106 2.596 21 HG SER 5 HG SER 5 6.772 22.636 3.775 22 H SER 6 H SER 6 3.931 19.388 5.293 23 HA SER 6 HA SER 6 4.738 16.642 4.686 24 HB2 SER 6 1HB SER 6 2.465 17.781 6.321 25 HB3 SER 6 2HB SER 6 2.636 16.061 5.973 26 HG SER 6 HG SER 6 4.871 16.430 6.886 27 H GLY 7 H GLY 7 3.911 15.504 3.043 28 HA2 GLY 7 1HA GLY 7 1.864 16.810 1.388 29 HA3 GLY 7 2HA GLY 7 2.976 15.561 0.848 30 H GLU 8 H GLU 8 0.182 15.531 0.407 31 HA GLU 8 HA GLU 8 -1.144 13.872 2.297 32 HB2 GLU 8 1HB GLU 8 -1.729 14.513 -0.594 33 HB3 GLU 8 2HB GLU 8 -2.780 13.518 0.403 34 HG2 GLU 8 1HG GLU 8 -3.438 15.289 1.719 35 HG3 GLU 8 2HG GLU 8 -2.003 16.240 1.340 36 HA PRO 9 HA PRO 9 0.283 9.854 1.261 37 HB2 PRO 9 1HB PRO 9 -1.959 8.375 1.658 38 HB3 PRO 9 2HB PRO 9 -1.022 9.075 2.983 39 HG2 PRO 9 1HG PRO 9 -3.537 10.077 1.705 40 HG3 PRO 9 2HG PRO 9 -3.107 10.006 3.424 41 HD2 PRO 9 1HD PRO 9 -2.938 12.286 1.973 42 HD3 PRO 9 2HD PRO 9 -1.832 11.922 3.314 43 H ILE 10 H ILE 10 -0.595 7.788 0.010 44 HA ILE 10 HA ILE 10 -1.750 8.709 -2.540 45 HB ILE 10 HB ILE 10 0.328 6.539 -2.325 46 HG12 ILE 10 1HG1 ILE 10 0.826 9.387 -3.197 47 HG13 ILE 10 2HG1 ILE 10 1.157 8.814 -1.566 48 HG21 ILE 10 1HG2 ILE 10 0.504 6.754 -4.697 49 HG22 ILE 10 2HG2 ILE 10 -1.205 6.591 -4.296 50 HG23 ILE 10 3HG2 ILE 10 -0.541 8.174 -4.700 51 HD11 ILE 10 1HD1 ILE 10 2.671 7.102 -2.569 52 HD12 ILE 10 2HD1 ILE 10 2.446 7.906 -4.123 53 HD13 ILE 10 3HD1 ILE 10 3.192 8.773 -2.781 54 H GLU 11 H GLU 11 -3.625 7.757 -2.939 55 HA GLU 11 HA GLU 11 -4.464 5.414 -1.511 56 HB2 GLU 11 1HB GLU 11 -5.705 7.241 -3.526 57 HB3 GLU 11 2HB GLU 11 -6.442 5.673 -3.233 58 HG2 GLU 11 1HG GLU 11 -7.077 6.208 -1.104 59 HG3 GLU 11 2HG GLU 11 -5.790 7.395 -0.900 60 H ALA 12 H ALA 12 -3.691 3.480 -2.043 61 HA ALA 12 HA ALA 12 -3.296 2.847 -4.891 62 HB1 ALA 12 1HB ALA 12 -2.185 0.965 -2.950 63 HB2 ALA 12 2HB ALA 12 -1.437 1.721 -4.358 64 HB3 ALA 12 3HB ALA 12 -1.522 2.595 -2.828 65 H ILE 13 H ILE 13 -3.914 0.745 -5.651 66 HA ILE 13 HA ILE 13 -6.193 -0.367 -4.153 67 HB ILE 13 HB ILE 13 -5.656 -0.391 -7.124 68 HG12 ILE 13 1HG1 ILE 13 -6.454 1.761 -6.423 69 HG13 ILE 13 2HG1 ILE 13 -7.805 0.916 -7.171 70 HG21 ILE 13 1HG2 ILE 13 -8.122 -1.304 -7.023 71 HG22 ILE 13 2HG2 ILE 13 -6.741 -2.391 -6.878 72 HG23 ILE 13 3HG2 ILE 13 -7.608 -1.870 -5.434 73 HD11 ILE 13 1HD1 ILE 13 -8.575 0.291 -4.884 74 HD12 ILE 13 2HD1 ILE 13 -7.317 1.346 -4.239 75 HD13 ILE 13 3HD1 ILE 13 -8.610 2.020 -5.231 76 H ALA 14 H ALA 14 -6.197 -2.462 -3.587 77 HA ALA 14 HA ALA 14 -3.798 -3.980 -3.784 78 HB1 ALA 14 1HB ALA 14 -4.881 -5.607 -2.466 79 HB2 ALA 14 2HB ALA 14 -5.495 -4.051 -1.904 80 HB3 ALA 14 3HB ALA 14 -6.482 -5.057 -2.963 81 H LYS 15 H LYS 15 -3.138 -5.010 -5.543 82 HA LYS 15 HA LYS 15 -4.843 -5.615 -7.736 83 HB2 LYS 15 1HB LYS 15 -1.979 -6.015 -7.067 84 HB3 LYS 15 2HB LYS 15 -2.659 -7.075 -8.294 85 HG2 LYS 15 1HG LYS 15 -3.552 -4.815 -9.291 86 HG3 LYS 15 2HG LYS 15 -2.217 -4.135 -8.357 87 HD2 LYS 15 1HD LYS 15 -1.692 -6.508 -10.080 88 HD3 LYS 15 2HD LYS 15 -1.881 -4.930 -10.849 89 HE2 LYS 15 1HE LYS 15 -0.027 -4.040 -9.745 90 HE3 LYS 15 2HE LYS 15 -0.038 -5.302 -8.514 91 HZ1 LYS 15 1HZ LYS 15 0.578 -5.800 -11.373 92 HZ2 LYS 15 2HZ LYS 15 0.765 -6.877 -10.082 93 HZ3 LYS 15 3HZ LYS 15 1.759 -5.514 -10.196 94 H PHE 16 H PHE 16 -3.523 -7.490 -5.068 95 HA PHE 16 HA PHE 16 -5.459 -9.592 -5.626 96 HB2 PHE 16 1HB PHE 16 -2.646 -10.455 -5.061 97 HB3 PHE 16 2HB PHE 16 -3.953 -11.351 -5.829 98 HD1 PHE 16 2HD PHE 16 -4.540 -10.911 -8.179 99 HD2 PHE 16 1HD PHE 16 -1.185 -9.066 -6.320 100 HE1 PHE 16 2HE PHE 16 -3.640 -10.328 -10.392 101 HE2 PHE 16 1HE PHE 16 -0.279 -8.479 -8.531 102 HZ PHE 16 HZ PHE 16 -1.506 -9.111 -10.571 103 H ASP 17 H ASP 17 -6.083 -10.754 -3.821 104 HA ASP 17 HA ASP 17 -5.969 -9.497 -1.347 105 HB2 ASP 17 1HB ASP 17 -6.672 -11.841 -0.480 106 HB3 ASP 17 2HB ASP 17 -7.739 -10.995 -1.598 107 H TYR 18 H TYR 18 -4.113 -9.073 -0.322 108 HA TYR 18 HA TYR 18 -2.095 -11.199 -0.118 109 HB2 TYR 18 1HB TYR 18 -1.412 -8.969 -1.048 110 HB3 TYR 18 2HB TYR 18 -1.766 -8.263 0.524 111 HD1 TYR 18 1HD TYR 18 0.303 -10.925 -1.070 112 HD2 TYR 18 2HD TYR 18 -0.094 -8.155 2.135 113 HE1 TYR 18 1HE TYR 18 2.577 -11.481 -0.317 114 HE2 TYR 18 2HE TYR 18 2.180 -8.702 2.897 115 HH TYR 18 HH TYR 18 4.429 -10.031 1.169 116 H VAL 19 H VAL 19 -1.170 -11.725 1.889 117 HA VAL 19 HA VAL 19 -2.647 -10.781 4.256 118 HB VAL 19 HB VAL 19 -3.509 -12.972 3.786 119 HG11 VAL 19 1HG1 VAL 19 -0.792 -14.203 3.990 120 HG12 VAL 19 2HG1 VAL 19 -2.265 -14.852 3.265 121 HG13 VAL 19 3HG1 VAL 19 -1.366 -13.574 2.446 122 HG21 VAL 19 1HG2 VAL 19 -1.809 -13.982 5.863 123 HG22 VAL 19 2HG2 VAL 19 -2.178 -12.284 6.162 124 HG23 VAL 19 3HG2 VAL 19 -3.487 -13.448 5.957 125 H GLY 20 H GLY 20 -1.253 -9.703 5.487 126 HA2 GLY 20 1HA GLY 20 1.503 -9.719 5.329 127 HA3 GLY 20 2HA GLY 20 0.603 -9.248 6.763 128 H ARG 21 H ARG 21 2.697 -11.533 5.390 129 HA ARG 21 HA ARG 21 2.146 -13.839 6.859 130 HB2 ARG 21 1HB ARG 21 4.530 -12.730 5.477 131 HB3 ARG 21 2HB ARG 21 4.811 -14.024 6.634 132 HG2 ARG 21 1HG ARG 21 2.708 -14.339 4.540 133 HG3 ARG 21 2HG ARG 21 4.408 -14.581 4.132 134 HD2 ARG 21 1HD ARG 21 4.568 -16.223 5.980 135 HD3 ARG 21 2HD ARG 21 2.838 -16.029 6.262 136 HE ARG 21 HE ARG 21 4.084 -17.573 4.203 137 HH11 ARG 21 2HH1 ARG 21 1.247 -15.731 5.023 138 HH12 ARG 21 1HH1 ARG 21 0.217 -16.578 3.917 139 HH21 ARG 21 2HH2 ARG 21 2.739 -18.696 2.743 140 HH22 ARG 21 1HH2 ARG 21 1.067 -18.265 2.621 141 H THR 22 H THR 22 3.935 -10.939 7.722 142 HA THR 22 HA THR 22 4.176 -11.985 10.468 143 HB THR 22 HB THR 22 6.209 -10.661 10.761 144 HG1 THR 22 1HG THR 22 7.139 -9.759 8.763 145 HG21 THR 22 1HG2 THR 22 6.680 -12.183 8.229 146 HG22 THR 22 2HG2 THR 22 6.146 -13.037 9.677 147 HG23 THR 22 3HG2 THR 22 7.654 -12.123 9.698 148 H ALA 23 H ALA 23 4.438 -10.158 12.098 149 HA ALA 23 HA ALA 23 2.166 -8.576 12.148 150 HB1 ALA 23 1HB ALA 23 3.406 -9.101 14.156 151 HB2 ALA 23 2HB ALA 23 4.777 -8.144 13.594 152 HB3 ALA 23 3HB ALA 23 3.252 -7.352 13.991 153 H ARG 24 H ARG 24 5.424 -7.773 11.037 154 HA ARG 24 HA ARG 24 5.090 -5.029 10.668 155 HB2 ARG 24 1HB ARG 24 6.890 -7.107 9.529 156 HB3 ARG 24 2HB ARG 24 6.809 -5.560 8.697 157 HG2 ARG 24 1HG ARG 24 7.241 -5.598 11.643 158 HG3 ARG 24 2HG ARG 24 8.583 -5.984 10.565 159 HD2 ARG 24 1HD ARG 24 8.482 -3.868 9.523 160 HD3 ARG 24 2HD ARG 24 6.907 -3.512 10.232 161 HE ARG 24 HE ARG 24 9.467 -3.100 11.434 162 HH11 ARG 24 2HH1 ARG 24 6.121 -3.797 12.095 163 HH12 ARG 24 1HH1 ARG 24 6.164 -3.133 13.695 164 HH21 ARG 24 2HH2 ARG 24 9.536 -2.222 13.538 165 HH22 ARG 24 1HH2 ARG 24 8.106 -2.237 14.514 166 H GLU 25 H GLU 25 4.617 -7.677 8.332 167 HA GLU 25 HA GLU 25 3.691 -6.001 6.244 168 HB2 GLU 25 1HB GLU 25 3.257 -8.960 6.689 169 HB3 GLU 25 2HB GLU 25 2.924 -8.103 5.191 170 HG2 GLU 25 1HG GLU 25 5.133 -7.879 4.660 171 HG3 GLU 25 2HG GLU 25 5.656 -7.924 6.343 172 H LEU 26 H LEU 26 1.528 -5.946 5.347 173 HA LEU 26 HA LEU 26 -0.536 -6.114 7.441 174 HB2 LEU 26 1HB LEU 26 -0.517 -4.337 5.009 175 HB3 LEU 26 2HB LEU 26 -1.700 -4.324 6.315 176 HG LEU 26 HG LEU 26 1.208 -3.636 6.704 177 HD11 LEU 26 1HD1 LEU 26 -1.078 -1.996 5.759 178 HD12 LEU 26 2HD1 LEU 26 0.639 -1.880 5.372 179 HD13 LEU 26 3HD1 LEU 26 0.040 -1.271 6.915 180 HD21 LEU 26 1HD2 LEU 26 -1.226 -3.675 8.405 181 HD22 LEU 26 2HD2 LEU 26 -0.061 -2.376 8.659 182 HD23 LEU 26 3HD2 LEU 26 0.447 -4.058 8.810 183 H SER 27 H SER 27 -2.511 -7.032 6.973 184 HA SER 27 HA SER 27 -2.566 -8.683 4.550 185 HB2 SER 27 1HB SER 27 -4.059 -10.141 5.691 186 HB3 SER 27 2HB SER 27 -2.818 -9.711 6.869 187 HG SER 27 HG SER 27 -4.265 -8.699 8.025 188 H PHE 28 H PHE 28 -3.798 -8.085 2.907 189 HA PHE 28 HA PHE 28 -6.311 -6.674 3.436 190 HB2 PHE 28 1HB PHE 28 -5.810 -5.182 1.457 191 HB3 PHE 28 2HB PHE 28 -4.842 -4.875 2.895 192 HD1 PHE 28 1HD PHE 28 -4.816 -6.320 -0.487 193 HD2 PHE 28 2HD PHE 28 -2.486 -5.183 2.888 194 HE1 PHE 28 1HE PHE 28 -2.765 -6.573 -1.822 195 HE2 PHE 28 2HE PHE 28 -0.431 -5.433 1.558 196 HZ PHE 28 HZ PHE 28 -0.569 -6.128 -0.800 197 H LYS 29 H LYS 29 -7.779 -6.683 1.560 198 HA LYS 29 HA LYS 29 -7.474 -9.183 0.048 199 HB2 LYS 29 1HB LYS 29 -10.009 -7.589 0.409 200 HB3 LYS 29 2HB LYS 29 -9.852 -9.253 -0.138 201 HG2 LYS 29 1HG LYS 29 -8.925 -8.460 2.592 202 HG3 LYS 29 2HG LYS 29 -10.631 -8.785 2.275 203 HD2 LYS 29 1HD LYS 29 -9.953 -10.881 2.879 204 HD3 LYS 29 2HD LYS 29 -9.632 -10.960 1.145 205 HE2 LYS 29 1HE LYS 29 -7.646 -11.746 1.981 206 HE3 LYS 29 2HE LYS 29 -7.286 -10.025 1.856 207 HZ1 LYS 29 1HZ LYS 29 -7.307 -11.666 4.153 208 HZ2 LYS 29 2HZ LYS 29 -8.434 -10.420 4.347 209 HZ3 LYS 29 3HZ LYS 29 -6.819 -10.052 4.006 210 H LYS 30 H LYS 30 -8.335 -9.213 -2.172 211 HA LYS 30 HA LYS 30 -7.150 -7.251 -3.779 212 HB2 LYS 30 1HB LYS 30 -7.548 -9.481 -4.625 213 HB3 LYS 30 2HB LYS 30 -9.285 -9.288 -4.432 214 HG2 LYS 30 1HG LYS 30 -9.389 -7.700 -6.195 215 HG3 LYS 30 2HG LYS 30 -7.629 -7.581 -6.273 216 HD2 LYS 30 1HD LYS 30 -7.431 -9.767 -7.163 217 HD3 LYS 30 2HD LYS 30 -9.113 -10.149 -6.790 218 HE2 LYS 30 1HE LYS 30 -9.872 -8.548 -8.443 219 HE3 LYS 30 2HE LYS 30 -8.210 -8.059 -8.769 220 HZ1 LYS 30 1HZ LYS 30 -8.326 -9.573 -10.388 221 HZ2 LYS 30 2HZ LYS 30 -9.671 -10.352 -9.723 222 HZ3 LYS 30 3HZ LYS 30 -8.118 -10.721 -9.162 223 H GLY 31 H GLY 31 -7.794 -5.297 -4.416 224 HA2 GLY 31 1HA GLY 31 -9.354 -3.725 -5.240 225 HA3 GLY 31 2HA GLY 31 -10.654 -4.693 -4.560 226 H ALA 32 H ALA 32 -9.179 -4.901 -1.971 227 HA ALA 32 HA ALA 32 -10.441 -2.891 -0.557 228 HB1 ALA 32 1HB ALA 32 -9.119 -3.524 1.327 229 HB2 ALA 32 2HB ALA 32 -9.453 -4.982 0.390 230 HB3 ALA 32 3HB ALA 32 -7.869 -4.212 0.289 231 H SER 33 H SER 33 -10.071 -0.795 -0.211 232 HA SER 33 HA SER 33 -7.998 0.565 -1.598 233 HB2 SER 33 1HB SER 33 -10.240 1.547 -1.106 234 HB3 SER 33 2HB SER 33 -9.786 1.641 0.596 235 HG SER 33 HG SER 33 -9.159 3.307 -1.440 236 H LEU 34 H LEU 34 -6.031 1.199 -0.953 237 HA LEU 34 HA LEU 34 -5.345 0.920 1.897 238 HB2 LEU 34 1HB LEU 34 -3.513 0.279 -0.405 239 HB3 LEU 34 2HB LEU 34 -3.186 0.050 1.311 240 HG LEU 34 HG LEU 34 -5.441 -1.416 -0.006 241 HD11 LEU 34 1HD1 LEU 34 -3.898 -3.273 -0.455 242 HD12 LEU 34 2HD1 LEU 34 -2.540 -2.237 -0.016 243 HD13 LEU 34 3HD1 LEU 34 -3.527 -1.848 -1.425 244 HD21 LEU 34 1HD2 LEU 34 -5.507 -2.594 1.898 245 HD22 LEU 34 2HD2 LEU 34 -4.591 -1.250 2.579 246 HD23 LEU 34 3HD2 LEU 34 -3.750 -2.694 2.014 247 H LEU 35 H LEU 35 -4.028 2.473 2.772 248 HA LEU 35 HA LEU 35 -3.535 4.817 1.072 249 HB2 LEU 35 1HB LEU 35 -4.903 4.774 3.332 250 HB3 LEU 35 2HB LEU 35 -3.293 4.918 4.035 251 HG LEU 35 HG LEU 35 -2.961 6.989 2.693 252 HD11 LEU 35 1HD1 LEU 35 -4.566 6.525 0.919 253 HD12 LEU 35 2HD1 LEU 35 -4.914 8.065 1.702 254 HD13 LEU 35 3HD1 LEU 35 -5.892 6.646 2.076 255 HD21 LEU 35 1HD2 LEU 35 -5.391 7.641 4.177 256 HD22 LEU 35 2HD2 LEU 35 -3.732 8.191 4.415 257 HD23 LEU 35 3HD2 LEU 35 -4.252 6.642 5.080 258 H LEU 36 H LEU 36 -1.523 5.354 0.545 259 HA LEU 36 HA LEU 36 0.688 4.019 1.943 260 HB2 LEU 36 1HB LEU 36 0.755 5.422 -0.721 261 HB3 LEU 36 2HB LEU 36 2.010 4.401 -0.023 262 HG LEU 36 HG LEU 36 -0.686 3.511 -1.042 263 HD11 LEU 36 1HD1 LEU 36 0.386 3.391 -2.984 264 HD12 LEU 36 2HD1 LEU 36 1.361 2.103 -2.280 265 HD13 LEU 36 3HD1 LEU 36 1.935 3.769 -2.231 266 HD21 LEU 36 1HD2 LEU 36 0.593 1.222 -0.623 267 HD22 LEU 36 2HD2 LEU 36 -0.407 1.980 0.616 268 HD23 LEU 36 3HD2 LEU 36 1.346 2.174 0.656 269 H TYR 37 H TYR 37 2.323 5.153 2.881 270 HA TYR 37 HA TYR 37 1.959 8.068 3.028 271 HB2 TYR 37 1HB TYR 37 3.346 6.197 4.959 272 HB3 TYR 37 2HB TYR 37 3.203 7.940 5.158 273 HD1 TYR 37 1HD TYR 37 0.445 8.495 4.467 274 HD2 TYR 37 2HD TYR 37 2.068 5.199 6.611 275 HE1 TYR 37 1HE TYR 37 -1.708 8.191 5.616 276 HE2 TYR 37 2HE TYR 37 -0.081 4.884 7.766 277 HH TYR 37 HH TYR 37 -2.929 6.255 6.755 278 H GLN 38 H GLN 38 4.462 5.553 2.852 279 HA GLN 38 HA GLN 38 6.049 7.169 1.085 280 HB2 GLN 38 1HB GLN 38 6.764 6.873 3.960 281 HB3 GLN 38 2HB GLN 38 8.066 6.780 2.781 282 HG2 GLN 38 1HG GLN 38 7.218 8.975 1.864 283 HG3 GLN 38 2HG GLN 38 6.198 9.071 3.299 284 HE21 GLN 38 1HE2 GLN 38 7.019 10.238 4.865 285 HE22 GLN 38 2HE2 GLN 38 8.698 10.457 5.210 286 H ARG 39 H ARG 39 8.098 6.020 0.468 287 HA ARG 39 HA ARG 39 7.513 3.178 0.202 288 HB2 ARG 39 1HB ARG 39 8.143 4.639 -1.762 289 HB3 ARG 39 2HB ARG 39 9.761 4.732 -1.079 290 HG2 ARG 39 1HG ARG 39 10.063 3.010 -2.526 291 HG3 ARG 39 2HG ARG 39 9.539 2.100 -1.108 292 HD2 ARG 39 1HD ARG 39 7.449 1.682 -1.983 293 HD3 ARG 39 2HD ARG 39 7.496 3.091 -3.042 294 HE ARG 39 HE ARG 39 8.266 0.472 -3.721 295 HH11 ARG 39 2HH1 ARG 39 9.294 3.774 -4.119 296 HH12 ARG 39 1HH1 ARG 39 10.101 3.479 -5.623 297 HH21 ARG 39 2HH2 ARG 39 9.326 0.070 -5.701 298 HH22 ARG 39 1HH2 ARG 39 10.118 1.371 -6.523 299 H ALA 40 H ALA 40 8.629 1.586 1.164 300 HA ALA 40 HA ALA 40 10.840 2.366 2.934 301 HB1 ALA 40 1HB ALA 40 8.715 0.311 3.076 302 HB2 ALA 40 2HB ALA 40 10.284 -0.109 3.764 303 HB3 ALA 40 3HB ALA 40 9.417 1.311 4.349 304 H SER 41 H SER 41 9.931 0.131 0.376 305 HA SER 41 HA SER 41 12.733 -0.317 -0.225 306 HB2 SER 41 1HB SER 41 11.768 -2.115 1.454 307 HB3 SER 41 2HB SER 41 11.064 -2.791 -0.015 308 HG SER 41 HG SER 41 13.625 -2.874 0.859 309 H ASP 42 H ASP 42 13.015 -1.503 -2.284 310 HA ASP 42 HA ASP 42 11.404 -0.426 -4.311 311 HB2 ASP 42 1HB ASP 42 13.718 -1.073 -4.717 312 HB3 ASP 42 2HB ASP 42 13.323 -2.763 -4.414 313 H ASP 43 H ASP 43 10.956 -3.167 -2.337 314 HA ASP 43 HA ASP 43 8.731 -4.044 -4.055 315 HB2 ASP 43 1HB ASP 43 10.800 -5.695 -2.638 316 HB3 ASP 43 2HB ASP 43 9.200 -6.359 -2.961 317 H TRP 44 H TRP 44 9.015 -2.249 -1.636 318 HA TRP 44 HA TRP 44 6.767 -3.384 -0.179 319 HB2 TRP 44 1HB TRP 44 9.403 -2.681 1.115 320 HB3 TRP 44 2HB TRP 44 7.897 -2.810 2.021 321 HD1 TRP 44 HD TRP 44 10.737 -4.858 0.795 322 HE1 TRP 44 1HE TRP 44 10.283 -7.357 1.211 323 HE3 TRP 44 3HE TRP 44 5.768 -4.595 1.968 324 HZ2 TRP 44 2HZ TRP 44 8.106 -8.999 1.940 325 HZ3 TRP 44 3HZ TRP 44 4.573 -6.676 2.512 326 HH2 TRP 44 HH TRP 44 5.719 -8.831 2.497 327 H TRP 45 H TRP 45 5.805 -1.786 1.340 328 HA TRP 45 HA TRP 45 6.465 0.997 0.728 329 HB2 TRP 45 1HB TRP 45 3.863 -0.368 0.125 330 HB3 TRP 45 2HB TRP 45 3.879 1.343 0.543 331 HD1 TRP 45 HD TRP 45 5.174 -1.071 -2.162 332 HE1 TRP 45 1HE TRP 45 5.636 0.284 -4.300 333 HE3 TRP 45 3HE TRP 45 4.365 3.633 -0.331 334 HZ2 TRP 45 2HZ TRP 45 5.655 2.990 -5.105 335 HZ3 TRP 45 3HZ TRP 45 4.626 5.551 -1.851 336 HH2 TRP 45 HH TRP 45 5.258 5.234 -4.187 337 H GLU 46 H GLU 46 5.277 2.527 2.164 338 HA GLU 46 HA GLU 46 4.730 1.286 4.781 339 HB2 GLU 46 1HB GLU 46 5.967 3.998 4.280 340 HB3 GLU 46 2HB GLU 46 5.683 3.256 5.848 341 HG2 GLU 46 1HG GLU 46 7.193 1.351 4.882 342 HG3 GLU 46 2HG GLU 46 7.746 2.628 3.799 343 H GLY 47 H GLY 47 2.535 1.269 4.792 344 HA2 GLY 47 1HA GLY 47 1.228 3.899 4.770 345 HA3 GLY 47 2HA GLY 47 0.583 2.630 3.740 346 H ARG 48 H ARG 48 -1.401 2.915 4.948 347 HA ARG 48 HA ARG 48 -1.353 1.384 7.460 348 HB2 ARG 48 1HB ARG 48 -1.663 3.690 8.088 349 HB3 ARG 48 2HB ARG 48 -2.922 3.898 6.878 350 HG2 ARG 48 1HG ARG 48 -4.206 2.102 8.161 351 HG3 ARG 48 2HG ARG 48 -3.037 2.372 9.455 352 HD2 ARG 48 1HD ARG 48 -4.668 3.851 10.073 353 HD3 ARG 48 2HD ARG 48 -3.677 4.893 9.052 354 HE ARG 48 HE ARG 48 -5.771 3.564 7.614 355 HH11 ARG 48 2HH1 ARG 48 -4.980 6.315 9.594 356 HH12 ARG 48 1HH1 ARG 48 -6.264 7.298 8.971 357 HH21 ARG 48 2HH2 ARG 48 -7.465 4.847 6.785 358 HH22 ARG 48 1HH2 ARG 48 -7.678 6.461 7.374 359 H HIS 49 H HIS 49 -3.218 0.138 7.898 360 HA HIS 49 HA HIS 49 -5.248 -0.051 5.813 361 HB2 HIS 49 1HB HIS 49 -3.516 -1.634 5.101 362 HB3 HIS 49 2HB HIS 49 -3.566 -2.413 6.680 363 HD1 HIS 49 1HD HIS 49 -5.059 -4.380 6.839 364 HD2 HIS 49 2HD HIS 49 -6.137 -1.866 3.711 365 HE1 HIS 49 1HE HIS 49 -6.936 -5.556 5.646 366 HE2 HIS 49 2HE HIS 49 -7.514 -4.056 3.708 367 H ASN 50 H ASN 50 -7.133 0.019 6.824 368 HA ASN 50 HA ASN 50 -8.710 -0.107 8.470 369 HB2 ASN 50 1HB ASN 50 -8.669 -2.441 7.668 370 HB3 ASN 50 2HB ASN 50 -7.436 -2.825 8.866 371 HD21 ASN 50 1HD2 ASN 50 -8.822 -4.401 9.740 372 HD22 ASN 50 2HD2 ASN 50 -10.147 -3.963 10.758 373 H GLY 51 H GLY 51 -6.581 1.359 9.336 374 HA2 GLY 51 1HA GLY 51 -5.779 2.261 11.294 375 HA3 GLY 51 2HA GLY 51 -6.840 1.159 12.160 376 H ILE 52 H ILE 52 -4.331 0.187 9.894 377 HA ILE 52 HA ILE 52 -2.655 -0.712 12.125 378 HB ILE 52 HB ILE 52 -3.484 -2.480 9.821 379 HG12 ILE 52 1HG1 ILE 52 -4.032 -2.779 12.780 380 HG13 ILE 52 2HG1 ILE 52 -5.198 -2.168 11.611 381 HG21 ILE 52 1HG2 ILE 52 -1.930 -3.483 12.144 382 HG22 ILE 52 2HG2 ILE 52 -1.944 -4.032 10.469 383 HG23 ILE 52 3HG2 ILE 52 -1.075 -2.562 10.907 384 HD11 ILE 52 1HD1 ILE 52 -3.964 -4.804 11.069 385 HD12 ILE 52 2HD1 ILE 52 -5.151 -4.696 12.369 386 HD13 ILE 52 3HD1 ILE 52 -5.592 -4.219 10.730 387 H ASP 53 H ASP 53 -0.724 0.163 11.825 388 HA ASP 53 HA ASP 53 0.172 0.869 9.148 389 HB2 ASP 53 1HB ASP 53 1.714 2.289 10.156 390 HB3 ASP 53 2HB ASP 53 0.376 2.324 11.301 391 H GLY 54 H GLY 54 1.763 -0.125 8.037 392 HA2 GLY 54 1HA GLY 54 3.752 -1.768 9.239 393 HA3 GLY 54 2HA GLY 54 2.475 -2.752 8.539 394 H LEU 55 H LEU 55 3.658 -3.650 6.898 395 HA LEU 55 HA LEU 55 4.781 -1.784 4.915 396 HB2 LEU 55 1HB LEU 55 5.534 -4.578 5.698 397 HB3 LEU 55 2HB LEU 55 6.004 -3.911 4.136 398 HG LEU 55 HG LEU 55 6.727 -2.593 6.743 399 HD11 LEU 55 1HD1 LEU 55 8.832 -3.699 6.703 400 HD12 LEU 55 2HD1 LEU 55 8.468 -4.470 5.160 401 HD13 LEU 55 3HD1 LEU 55 7.584 -4.942 6.612 402 HD21 LEU 55 1HD2 LEU 55 7.963 -2.413 3.999 403 HD22 LEU 55 2HD2 LEU 55 8.386 -1.460 5.422 404 HD23 LEU 55 3HD2 LEU 55 6.809 -1.252 4.658 405 H ILE 56 H ILE 56 4.391 -2.159 2.707 406 HA ILE 56 HA ILE 56 2.263 -4.091 2.088 407 HB ILE 56 HB ILE 56 2.347 -1.186 1.291 408 HG12 ILE 56 1HG1 ILE 56 -0.015 -2.661 2.401 409 HG13 ILE 56 2HG1 ILE 56 1.262 -2.123 3.487 410 HG21 ILE 56 1HG2 ILE 56 1.368 -1.684 -0.636 411 HG22 ILE 56 2HG2 ILE 56 1.433 -3.403 -0.249 412 HG23 ILE 56 3HG2 ILE 56 0.042 -2.439 0.248 413 HD11 ILE 56 1HD1 ILE 56 -0.797 -0.583 2.075 414 HD12 ILE 56 2HD1 ILE 56 0.007 -0.273 3.614 415 HD13 ILE 56 3HD1 ILE 56 0.810 0.143 2.099 416 HA PRO 57 HA PRO 57 5.116 -5.213 -1.112 417 HB2 PRO 57 1HB PRO 57 3.468 -6.920 -2.431 418 HB3 PRO 57 2HB PRO 57 4.260 -7.335 -0.906 419 HG2 PRO 57 1HG PRO 57 1.460 -6.393 -1.392 420 HG3 PRO 57 2HG PRO 57 2.037 -7.679 -0.316 421 HD2 PRO 57 1HD PRO 57 1.385 -5.209 0.584 422 HD3 PRO 57 2HD PRO 57 2.660 -6.193 1.332 423 H HIS 58 H HIS 58 5.541 -4.599 -3.191 424 HA HIS 58 HA HIS 58 3.664 -2.739 -4.406 425 HB2 HIS 58 1HB HIS 58 6.037 -2.107 -4.204 426 HB3 HIS 58 2HB HIS 58 6.484 -3.476 -5.217 427 HD2 HIS 58 2HD HIS 58 5.551 -3.223 -7.956 428 HE1 HIS 58 1HE HIS 58 5.193 0.995 -7.676 429 HE2 HIS 58 2HE HIS 58 5.176 -0.997 -9.218 430 H GLN 59 H GLN 59 4.086 -5.978 -4.517 431 HA GLN 59 HA GLN 59 3.606 -6.244 -7.390 432 HB2 GLN 59 1HB GLN 59 4.216 -8.268 -5.237 433 HB3 GLN 59 2HB GLN 59 3.795 -8.715 -6.885 434 HG2 GLN 59 1HG GLN 59 6.037 -6.810 -6.416 435 HG3 GLN 59 2HG GLN 59 6.289 -8.534 -6.149 436 HE21 GLN 59 1HE2 GLN 59 7.856 -7.657 -7.969 437 HE22 GLN 59 2HE2 GLN 59 7.315 -7.994 -9.574 438 H TYR 60 H TYR 60 1.906 -6.047 -4.486 439 HA TYR 60 HA TYR 60 -0.466 -7.273 -5.734 440 HB2 TYR 60 1HB TYR 60 0.210 -7.125 -2.788 441 HB3 TYR 60 2HB TYR 60 -1.276 -7.787 -3.461 442 HD1 TYR 60 2HD TYR 60 2.405 -8.204 -4.009 443 HD2 TYR 60 1HD TYR 60 -1.381 -10.083 -3.525 444 HE1 TYR 60 2HE TYR 60 3.481 -10.407 -4.199 445 HE2 TYR 60 1HE TYR 60 -0.316 -12.292 -3.713 446 HH TYR 60 HH TYR 60 3.200 -12.613 -4.038 447 H ILE 61 H ILE 61 0.569 -4.488 -5.819 448 HA ILE 61 HA ILE 61 -1.934 -3.184 -5.190 449 HB ILE 61 HB ILE 61 -0.966 -1.396 -3.855 450 HG12 ILE 61 1HG1 ILE 61 1.418 -2.085 -2.877 451 HG13 ILE 61 2HG1 ILE 61 1.557 -2.866 -4.449 452 HG21 ILE 61 1HG2 ILE 61 -0.334 -4.112 -2.708 453 HG22 ILE 61 2HG2 ILE 61 -0.590 -2.631 -1.787 454 HG23 ILE 61 3HG2 ILE 61 -1.917 -3.335 -2.709 455 HD11 ILE 61 1HD1 ILE 61 1.788 -0.920 -5.530 456 HD12 ILE 61 2HD1 ILE 61 0.596 -0.097 -4.522 457 HD13 ILE 61 3HD1 ILE 61 2.248 -0.310 -3.941 458 H VAL 62 H VAL 62 -2.150 -1.109 -6.180 459 HA VAL 62 HA VAL 62 -0.131 -0.577 -8.262 460 HB VAL 62 HB VAL 62 -3.110 -0.130 -8.494 461 HG11 VAL 62 1HG1 VAL 62 -2.055 -0.097 -11.018 462 HG12 VAL 62 2HG1 VAL 62 -2.450 1.331 -10.059 463 HG13 VAL 62 3HG1 VAL 62 -0.800 0.709 -10.078 464 HG21 VAL 62 1HG2 VAL 62 -2.545 -1.945 -10.396 465 HG22 VAL 62 2HG2 VAL 62 -1.378 -2.425 -9.164 466 HG23 VAL 62 3HG2 VAL 62 -3.098 -2.374 -8.777 467 H VAL 63 H VAL 63 0.953 1.175 -7.612 468 HA VAL 63 HA VAL 63 -0.233 3.242 -6.021 469 HB VAL 63 HB VAL 63 2.430 3.207 -7.450 470 HG11 VAL 63 1HG1 VAL 63 2.995 5.157 -6.409 471 HG12 VAL 63 2HG1 VAL 63 1.262 5.427 -6.603 472 HG13 VAL 63 3HG1 VAL 63 1.902 4.880 -5.053 473 HG21 VAL 63 1HG2 VAL 63 2.231 1.395 -5.835 474 HG22 VAL 63 2HG2 VAL 63 3.357 2.623 -5.255 475 HG23 VAL 63 3HG2 VAL 63 1.724 2.540 -4.592 476 H GLN 64 H GLN 64 -1.743 4.490 -6.949 477 HA GLN 64 HA GLN 64 -1.630 5.241 -9.720 478 HB2 GLN 64 1HB GLN 64 -3.444 6.391 -7.603 479 HB3 GLN 64 2HB GLN 64 -3.709 6.353 -9.341 480 HG2 GLN 64 1HG GLN 64 -3.403 3.781 -7.878 481 HG3 GLN 64 2HG GLN 64 -4.921 4.669 -7.746 482 HE21 GLN 64 1HE2 GLN 64 -4.063 2.094 -9.084 483 HE22 GLN 64 2HE2 GLN 64 -4.687 2.227 -10.690 484 H ASP 65 H ASP 65 0.258 6.427 -9.988 485 HA ASP 65 HA ASP 65 0.915 8.668 -8.348 486 HB2 ASP 65 1HB ASP 65 2.642 7.417 -9.558 487 HB3 ASP 65 2HB ASP 65 1.925 7.898 -11.094 488 H THR 66 H THR 66 -0.347 10.411 -8.302 489 HA THR 66 HA THR 66 -0.824 11.886 -10.734 490 HB THR 66 HB THR 66 -2.759 10.342 -10.696 491 HG1 THR 66 1HG THR 66 -3.138 12.343 -11.616 492 HG21 THR 66 1HG2 THR 66 -4.510 10.824 -8.918 493 HG22 THR 66 2HG2 THR 66 -3.226 11.623 -8.011 494 HG23 THR 66 3HG2 THR 66 -3.098 9.907 -8.395 495 H SER 67 H SER 67 -1.594 14.046 -10.344 496 HA SER 67 HA SER 67 -1.587 14.915 -7.547 497 HB2 SER 67 1HB SER 67 -0.069 16.802 -8.116 498 HB3 SER 67 2HB SER 67 0.711 15.229 -8.277 499 HG SER 67 HG SER 67 -0.248 16.932 -10.321 500 H GLY 68 H GLY 68 -2.425 17.113 -7.261 501 HA2 GLY 68 1HA GLY 68 -3.561 19.034 -8.182 502 HA3 GLY 68 2HA GLY 68 -4.098 18.019 -9.512 503 HA PRO 69 HA PRO 69 -7.456 18.419 -6.255 504 HB2 PRO 69 1HB PRO 69 -9.321 19.518 -7.893 505 HB3 PRO 69 2HB PRO 69 -8.159 20.484 -6.977 506 HG2 PRO 69 1HG PRO 69 -8.080 19.652 -9.851 507 HG3 PRO 69 2HG PRO 69 -7.692 21.225 -9.131 508 HD2 PRO 69 1HD PRO 69 -5.785 19.444 -9.854 509 HD3 PRO 69 2HD PRO 69 -5.587 20.548 -8.479 510 H SER 70 H SER 70 -9.716 17.510 -6.453 511 HA SER 70 HA SER 70 -10.433 15.848 -8.624 512 HB2 SER 70 1HB SER 70 -10.040 13.650 -7.664 513 HB3 SER 70 2HB SER 70 -8.510 14.522 -7.759 514 HG SER 70 HG SER 70 -10.138 14.314 -5.442 515 H SER 71 H SER 71 -12.333 14.480 -8.113 516 HA SER 71 HA SER 71 -13.700 14.981 -5.618 517 HB2 SER 71 1HB SER 71 -14.244 17.023 -6.855 518 HB3 SER 71 2HB SER 71 -14.820 16.061 -8.216 519 HG SER 71 HG SER 71 -16.652 16.358 -7.167 520 H GLY 72 H GLY 72 -15.693 13.756 -5.420 521 HA2 GLY 72 1HA GLY 72 -15.501 11.244 -6.870 522 HA3 GLY 72 2HA GLY 72 -16.523 11.572 -5.478 Start of MODEL 10 1 H1 GLY 1 H GLY 1 8.884 27.958 5.762 2 HA2 GLY 1 1HA GLY 1 8.691 25.349 7.024 3 HA3 GLY 1 2HA GLY 1 8.147 25.414 5.354 4 H SER 2 H SER 2 10.701 24.653 7.236 5 HA SER 2 HA SER 2 12.553 24.925 4.990 6 HB2 SER 2 1HB SER 2 13.047 26.854 6.397 7 HB3 SER 2 2HB SER 2 13.184 25.814 7.815 8 HG SER 2 HG SER 2 14.866 25.853 5.533 9 H SER 3 H SER 3 13.152 22.918 4.544 10 HA SER 3 HA SER 3 13.760 20.735 4.763 11 HB2 SER 3 1HB SER 3 15.116 22.112 7.036 12 HB3 SER 3 2HB SER 3 15.134 20.349 7.011 13 HG SER 3 HG SER 3 16.550 20.422 5.470 14 H GLY 4 H GLY 4 11.141 21.281 5.542 15 HA2 GLY 4 1HA GLY 4 10.580 18.963 7.120 16 HA3 GLY 4 2HA GLY 4 10.277 20.445 8.015 17 H SER 5 H SER 5 9.722 19.494 4.626 18 HA SER 5 HA SER 5 7.038 20.625 4.804 19 HB2 SER 5 1HB SER 5 8.639 19.622 2.439 20 HB3 SER 5 2HB SER 5 7.013 20.295 2.328 21 HG SER 5 HG SER 5 7.770 22.260 2.840 22 H SER 6 H SER 6 5.174 19.474 4.566 23 HA SER 6 HA SER 6 5.456 16.541 4.478 24 HB2 SER 6 1HB SER 6 3.461 16.391 5.868 25 HB3 SER 6 2HB SER 6 4.652 17.426 6.656 26 HG SER 6 HG SER 6 2.569 18.442 5.030 27 H GLY 7 H GLY 7 4.348 15.427 2.976 28 HA2 GLY 7 1HA GLY 7 2.720 16.989 1.096 29 HA3 GLY 7 2HA GLY 7 3.462 15.431 0.765 30 H GLU 8 H GLU 8 1.567 14.483 0.033 31 HA GLU 8 HA GLU 8 -0.429 13.955 2.134 32 HB2 GLU 8 1HB GLU 8 -0.884 14.516 -0.795 33 HB3 GLU 8 2HB GLU 8 -2.103 13.776 0.234 34 HG2 GLU 8 1HG GLU 8 -0.845 16.456 0.766 35 HG3 GLU 8 2HG GLU 8 -2.372 16.223 -0.084 36 HA PRO 9 HA PRO 9 0.174 9.671 1.400 37 HB2 PRO 9 1HB PRO 9 -2.315 8.693 1.868 38 HB3 PRO 9 2HB PRO 9 -1.259 9.289 3.155 39 HG2 PRO 9 1HG PRO 9 -3.527 10.671 1.774 40 HG3 PRO 9 2HG PRO 9 -3.121 10.639 3.499 41 HD2 PRO 9 1HD PRO 9 -2.506 12.732 1.895 42 HD3 PRO 9 2HD PRO 9 -1.493 12.256 3.274 43 H ILE 10 H ILE 10 -0.035 8.086 -0.157 44 HA ILE 10 HA ILE 10 -1.507 8.882 -2.566 45 HB ILE 10 HB ILE 10 0.639 6.776 -2.287 46 HG12 ILE 10 1HG1 ILE 10 1.006 9.429 -3.640 47 HG13 ILE 10 2HG1 ILE 10 1.215 9.295 -1.897 48 HG21 ILE 10 1HG2 ILE 10 0.513 6.424 -4.538 49 HG22 ILE 10 2HG2 ILE 10 -1.173 6.821 -4.209 50 HG23 ILE 10 3HG2 ILE 10 -0.092 8.046 -4.871 51 HD11 ILE 10 1HD1 ILE 10 2.646 7.298 -3.514 52 HD12 ILE 10 2HD1 ILE 10 3.195 8.967 -3.672 53 HD13 ILE 10 3HD1 ILE 10 3.163 8.195 -2.086 54 H GLU 11 H GLU 11 -3.375 7.925 -2.988 55 HA GLU 11 HA GLU 11 -4.197 5.568 -1.549 56 HB2 GLU 11 1HB GLU 11 -5.486 7.516 -3.391 57 HB3 GLU 11 2HB GLU 11 -6.208 5.917 -3.274 58 HG2 GLU 11 1HG GLU 11 -6.657 6.172 -0.981 59 HG3 GLU 11 2HG GLU 11 -5.606 7.581 -0.852 60 H ALA 12 H ALA 12 -3.715 3.578 -2.168 61 HA ALA 12 HA ALA 12 -3.349 3.043 -5.044 62 HB1 ALA 12 1HB ALA 12 -1.284 2.808 -3.730 63 HB2 ALA 12 2HB ALA 12 -2.075 1.589 -2.729 64 HB3 ALA 12 3HB ALA 12 -1.799 1.279 -4.443 65 H ILE 13 H ILE 13 -3.755 0.695 -5.616 66 HA ILE 13 HA ILE 13 -6.100 -0.306 -4.137 67 HB ILE 13 HB ILE 13 -5.635 -0.473 -7.117 68 HG12 ILE 13 1HG1 ILE 13 -6.212 1.802 -6.357 69 HG13 ILE 13 2HG1 ILE 13 -7.507 1.086 -7.310 70 HG21 ILE 13 1HG2 ILE 13 -6.860 -2.372 -6.600 71 HG22 ILE 13 2HG2 ILE 13 -7.741 -1.573 -5.299 72 HG23 ILE 13 3HG2 ILE 13 -8.117 -1.195 -6.980 73 HD11 ILE 13 1HD1 ILE 13 -7.424 1.288 -4.310 74 HD12 ILE 13 2HD1 ILE 13 -8.389 2.284 -5.400 75 HD13 ILE 13 3HD1 ILE 13 -8.719 0.558 -5.258 76 H ALA 14 H ALA 14 -6.238 -2.476 -3.749 77 HA ALA 14 HA ALA 14 -3.793 -3.979 -3.916 78 HB1 ALA 14 1HB ALA 14 -4.737 -5.440 -2.426 79 HB2 ALA 14 2HB ALA 14 -5.663 -3.981 -2.070 80 HB3 ALA 14 3HB ALA 14 -6.360 -5.241 -3.088 81 H LYS 15 H LYS 15 -3.183 -5.136 -5.610 82 HA LYS 15 HA LYS 15 -4.927 -5.682 -7.800 83 HB2 LYS 15 1HB LYS 15 -2.071 -6.167 -7.152 84 HB3 LYS 15 2HB LYS 15 -2.797 -7.216 -8.363 85 HG2 LYS 15 1HG LYS 15 -3.623 -4.946 -9.381 86 HG3 LYS 15 2HG LYS 15 -2.271 -4.290 -8.456 87 HD2 LYS 15 1HD LYS 15 -1.853 -6.681 -10.200 88 HD3 LYS 15 2HD LYS 15 -1.915 -5.072 -10.922 89 HE2 LYS 15 1HE LYS 15 -0.015 -4.356 -9.789 90 HE3 LYS 15 2HE LYS 15 -0.153 -5.616 -8.563 91 HZ1 LYS 15 1HZ LYS 15 1.295 -5.658 -10.984 92 HZ2 LYS 15 2HZ LYS 15 0.144 -6.897 -11.005 93 HZ3 LYS 15 3HZ LYS 15 1.269 -6.810 -9.745 94 H PHE 16 H PHE 16 -3.516 -7.635 -5.212 95 HA PHE 16 HA PHE 16 -5.561 -9.665 -5.704 96 HB2 PHE 16 1HB PHE 16 -2.778 -10.604 -5.131 97 HB3 PHE 16 2HB PHE 16 -4.103 -11.456 -5.918 98 HD1 PHE 16 2HD PHE 16 -4.601 -11.078 -8.272 99 HD2 PHE 16 1HD PHE 16 -1.312 -9.164 -6.365 100 HE1 PHE 16 2HE PHE 16 -3.659 -10.511 -10.473 101 HE2 PHE 16 1HE PHE 16 -0.366 -8.593 -8.563 102 HZ PHE 16 HZ PHE 16 -1.538 -9.268 -10.621 103 H ASP 17 H ASP 17 -6.229 -10.768 -3.886 104 HA ASP 17 HA ASP 17 -6.065 -9.501 -1.425 105 HB2 ASP 17 1HB ASP 17 -6.956 -11.659 -0.487 106 HB3 ASP 17 2HB ASP 17 -7.867 -11.021 -1.853 107 H TYR 18 H TYR 18 -4.229 -9.137 -0.356 108 HA TYR 18 HA TYR 18 -2.277 -11.328 -0.126 109 HB2 TYR 18 1HB TYR 18 -1.484 -9.190 -1.155 110 HB3 TYR 18 2HB TYR 18 -1.822 -8.380 0.371 111 HD1 TYR 18 2HD TYR 18 -0.465 -8.877 2.366 112 HD2 TYR 18 1HD TYR 18 0.452 -10.583 -1.422 113 HE1 TYR 18 2HE TYR 18 1.777 -9.472 3.184 114 HE2 TYR 18 1HE TYR 18 2.697 -11.184 -0.615 115 HH TYR 18 HH TYR 18 4.193 -9.924 1.768 116 H VAL 19 H VAL 19 -1.258 -11.693 1.915 117 HA VAL 19 HA VAL 19 -2.743 -10.657 4.236 118 HB VAL 19 HB VAL 19 -3.568 -12.902 3.816 119 HG11 VAL 19 1HG1 VAL 19 -1.200 -13.488 2.745 120 HG12 VAL 19 2HG1 VAL 19 -0.943 -14.169 4.353 121 HG13 VAL 19 3HG1 VAL 19 -2.293 -14.727 3.363 122 HG21 VAL 19 1HG2 VAL 19 -1.674 -12.896 6.164 123 HG22 VAL 19 2HG2 VAL 19 -3.268 -12.141 6.145 124 HG23 VAL 19 3HG2 VAL 19 -3.119 -13.891 5.981 125 H GLY 20 H GLY 20 -1.422 -9.667 5.604 126 HA2 GLY 20 1HA GLY 20 1.321 -9.485 5.393 127 HA3 GLY 20 2HA GLY 20 0.430 -9.188 6.878 128 H ARG 21 H ARG 21 2.519 -11.319 5.190 129 HA ARG 21 HA ARG 21 2.200 -13.723 6.512 130 HB2 ARG 21 1HB ARG 21 4.487 -12.348 5.201 131 HB3 ARG 21 2HB ARG 21 4.861 -13.727 6.227 132 HG2 ARG 21 1HG ARG 21 2.702 -14.043 4.218 133 HG3 ARG 21 2HG ARG 21 4.370 -13.987 3.645 134 HD2 ARG 21 1HD ARG 21 3.477 -15.804 5.868 135 HD3 ARG 21 2HD ARG 21 3.416 -16.281 4.172 136 HE ARG 21 HE ARG 21 5.986 -15.318 5.070 137 HH11 ARG 21 2HH1 ARG 21 3.912 -18.080 4.638 138 HH12 ARG 21 1HH1 ARG 21 5.218 -19.219 4.607 139 HH21 ARG 21 2HH2 ARG 21 7.713 -16.807 5.031 140 HH22 ARG 21 1HH2 ARG 21 7.379 -18.494 4.832 141 H THR 22 H THR 22 3.879 -10.813 7.572 142 HA THR 22 HA THR 22 4.149 -12.031 10.242 143 HB THR 22 HB THR 22 6.197 -10.744 10.606 144 HG1 THR 22 1HG THR 22 5.656 -9.061 9.048 145 HG21 THR 22 1HG2 THR 22 7.198 -12.600 9.883 146 HG22 THR 22 2HG2 THR 22 7.276 -11.879 8.276 147 HG23 THR 22 3HG2 THR 22 5.906 -12.895 8.721 148 H ALA 23 H ALA 23 4.538 -10.230 11.938 149 HA ALA 23 HA ALA 23 2.252 -8.659 12.123 150 HB1 ALA 23 1HB ALA 23 4.753 -8.937 13.619 151 HB2 ALA 23 2HB ALA 23 3.995 -7.350 13.760 152 HB3 ALA 23 3HB ALA 23 3.091 -8.801 14.196 153 H ARG 24 H ARG 24 5.445 -7.874 10.862 154 HA ARG 24 HA ARG 24 5.110 -5.093 10.638 155 HB2 ARG 24 1HB ARG 24 6.858 -7.087 9.224 156 HB3 ARG 24 2HB ARG 24 6.858 -5.394 8.749 157 HG2 ARG 24 1HG ARG 24 7.226 -5.049 11.349 158 HG3 ARG 24 2HG ARG 24 7.893 -6.677 11.210 159 HD2 ARG 24 1HD ARG 24 9.216 -5.714 9.213 160 HD3 ARG 24 2HD ARG 24 8.807 -4.143 9.900 161 HE ARG 24 HE ARG 24 10.791 -5.933 10.839 162 HH11 ARG 24 2HH1 ARG 24 8.389 -3.665 11.937 163 HH12 ARG 24 1HH1 ARG 24 9.229 -3.287 13.405 164 HH21 ARG 24 2HH2 ARG 24 11.906 -5.444 12.768 165 HH22 ARG 24 1HH2 ARG 24 11.230 -4.299 13.876 166 H GLU 25 H GLU 25 4.617 -7.676 8.235 167 HA GLU 25 HA GLU 25 3.662 -5.946 6.205 168 HB2 GLU 25 1HB GLU 25 3.324 -8.923 6.598 169 HB3 GLU 25 2HB GLU 25 2.831 -8.059 5.148 170 HG2 GLU 25 1HG GLU 25 5.027 -7.588 4.534 171 HG3 GLU 25 2HG GLU 25 5.647 -7.921 6.150 172 H LEU 26 H LEU 26 1.470 -5.962 5.306 173 HA LEU 26 HA LEU 26 -0.555 -6.125 7.439 174 HB2 LEU 26 1HB LEU 26 -0.545 -4.365 4.992 175 HB3 LEU 26 2HB LEU 26 -1.776 -4.385 6.252 176 HG LEU 26 HG LEU 26 1.097 -3.579 6.690 177 HD11 LEU 26 1HD1 LEU 26 -0.138 -2.058 5.157 178 HD12 LEU 26 2HD1 LEU 26 0.354 -1.304 6.674 179 HD13 LEU 26 3HD1 LEU 26 -1.322 -1.801 6.439 180 HD21 LEU 26 1HD2 LEU 26 -1.226 -2.940 8.464 181 HD22 LEU 26 2HD2 LEU 26 0.495 -2.992 8.848 182 HD23 LEU 26 3HD2 LEU 26 -0.399 -4.492 8.598 183 H SER 27 H SER 27 -2.621 -6.920 6.930 184 HA SER 27 HA SER 27 -2.664 -8.658 4.559 185 HB2 SER 27 1HB SER 27 -4.177 -10.091 5.739 186 HB3 SER 27 2HB SER 27 -2.867 -9.702 6.854 187 HG SER 27 HG SER 27 -5.498 -9.230 7.110 188 H PHE 28 H PHE 28 -3.876 -8.008 2.922 189 HA PHE 28 HA PHE 28 -6.402 -6.621 3.481 190 HB2 PHE 28 1HB PHE 28 -5.921 -5.173 1.450 191 HB3 PHE 28 2HB PHE 28 -4.966 -4.823 2.887 192 HD1 PHE 28 1HD PHE 28 -4.881 -6.550 -0.386 193 HD2 PHE 28 2HD PHE 28 -2.629 -4.904 2.829 194 HE1 PHE 28 1HE PHE 28 -2.818 -6.815 -1.700 195 HE2 PHE 28 2HE PHE 28 -0.563 -5.165 1.520 196 HZ PHE 28 HZ PHE 28 -0.655 -6.120 -0.748 197 H LYS 29 H LYS 29 -7.838 -6.570 1.526 198 HA LYS 29 HA LYS 29 -7.535 -9.079 0.010 199 HB2 LYS 29 1HB LYS 29 -10.094 -7.636 0.723 200 HB3 LYS 29 2HB LYS 29 -9.967 -9.179 -0.110 201 HG2 LYS 29 1HG LYS 29 -8.710 -8.930 2.568 202 HG3 LYS 29 2HG LYS 29 -10.470 -9.030 2.472 203 HD2 LYS 29 1HD LYS 29 -8.866 -10.981 0.901 204 HD3 LYS 29 2HD LYS 29 -8.953 -11.196 2.651 205 HE2 LYS 29 1HE LYS 29 -10.708 -12.477 1.631 206 HE3 LYS 29 2HE LYS 29 -11.429 -11.112 2.481 207 HZ1 LYS 29 1HZ LYS 29 -12.324 -11.577 0.200 208 HZ2 LYS 29 2HZ LYS 29 -10.839 -11.061 -0.421 209 HZ3 LYS 29 3HZ LYS 29 -11.805 -9.988 0.460 210 H LYS 30 H LYS 30 -7.805 -9.074 -2.181 211 HA LYS 30 HA LYS 30 -7.080 -7.002 -3.743 212 HB2 LYS 30 1HB LYS 30 -7.422 -9.282 -4.586 213 HB3 LYS 30 2HB LYS 30 -9.164 -9.071 -4.468 214 HG2 LYS 30 1HG LYS 30 -9.041 -7.270 -6.134 215 HG3 LYS 30 2HG LYS 30 -7.303 -7.544 -6.278 216 HD2 LYS 30 1HD LYS 30 -7.576 -9.565 -7.350 217 HD3 LYS 30 2HD LYS 30 -9.177 -9.836 -6.658 218 HE2 LYS 30 1HE LYS 30 -10.025 -7.968 -8.075 219 HE3 LYS 30 2HE LYS 30 -8.439 -7.891 -8.841 220 HZ1 LYS 30 1HZ LYS 30 -9.424 -9.300 -10.277 221 HZ2 LYS 30 2HZ LYS 30 -10.556 -9.862 -9.152 222 HZ3 LYS 30 3HZ LYS 30 -8.976 -10.466 -9.136 223 H GLY 31 H GLY 31 -7.910 -5.149 -4.531 224 HA2 GLY 31 1HA GLY 31 -9.599 -3.666 -5.224 225 HA3 GLY 31 2HA GLY 31 -10.790 -4.688 -4.434 226 H ALA 32 H ALA 32 -9.265 -4.795 -1.927 227 HA ALA 32 HA ALA 32 -10.475 -2.727 -0.535 228 HB1 ALA 32 1HB ALA 32 -9.525 -4.836 0.429 229 HB2 ALA 32 2HB ALA 32 -7.930 -4.091 0.318 230 HB3 ALA 32 3HB ALA 32 -9.169 -3.373 1.347 231 H SER 33 H SER 33 -10.025 -0.642 -0.196 232 HA SER 33 HA SER 33 -7.928 0.629 -1.642 233 HB2 SER 33 1HB SER 33 -10.138 1.687 -1.158 234 HB3 SER 33 2HB SER 33 -9.670 1.804 0.538 235 HG SER 33 HG SER 33 -8.534 3.501 0.067 236 H LEU 34 H LEU 34 -5.902 1.022 -1.049 237 HA LEU 34 HA LEU 34 -5.219 0.836 1.812 238 HB2 LEU 34 1HB LEU 34 -3.443 0.102 -0.508 239 HB3 LEU 34 2HB LEU 34 -3.084 -0.097 1.206 240 HG LEU 34 HG LEU 34 -5.415 -1.525 -0.012 241 HD11 LEU 34 1HD1 LEU 34 -3.183 -1.841 -1.311 242 HD12 LEU 34 2HD1 LEU 34 -4.143 -3.249 -0.858 243 HD13 LEU 34 3HD1 LEU 34 -2.722 -2.809 0.089 244 HD21 LEU 34 1HD2 LEU 34 -5.493 -2.561 1.956 245 HD22 LEU 34 2HD2 LEU 34 -4.346 -1.353 2.538 246 HD23 LEU 34 3HD2 LEU 34 -3.763 -2.903 1.928 247 H LEU 35 H LEU 35 -3.993 2.427 2.681 248 HA LEU 35 HA LEU 35 -3.419 4.725 0.963 249 HB2 LEU 35 1HB LEU 35 -4.692 4.687 3.288 250 HB3 LEU 35 2HB LEU 35 -3.048 4.816 3.910 251 HG LEU 35 HG LEU 35 -2.796 6.869 2.452 252 HD11 LEU 35 1HD1 LEU 35 -4.847 6.221 1.070 253 HD12 LEU 35 2HD1 LEU 35 -4.667 7.915 1.524 254 HD13 LEU 35 3HD1 LEU 35 -5.795 6.883 2.402 255 HD21 LEU 35 1HD2 LEU 35 -3.841 6.525 5.006 256 HD22 LEU 35 2HD2 LEU 35 -4.918 7.688 4.233 257 HD23 LEU 35 3HD2 LEU 35 -3.186 8.012 4.319 258 H LEU 36 H LEU 36 -1.401 5.579 0.702 259 HA LEU 36 HA LEU 36 0.828 4.072 1.905 260 HB2 LEU 36 1HB LEU 36 0.854 5.466 -0.763 261 HB3 LEU 36 2HB LEU 36 2.106 4.424 -0.090 262 HG LEU 36 HG LEU 36 -0.623 3.585 -1.062 263 HD11 LEU 36 1HD1 LEU 36 2.143 3.434 -2.149 264 HD12 LEU 36 2HD1 LEU 36 0.623 3.777 -2.972 265 HD13 LEU 36 3HD1 LEU 36 1.015 2.124 -2.499 266 HD21 LEU 36 1HD2 LEU 36 0.519 1.265 -0.644 267 HD22 LEU 36 2HD2 LEU 36 -0.315 2.103 0.664 268 HD23 LEU 36 3HD2 LEU 36 1.444 2.170 0.554 269 H TYR 37 H TYR 37 2.429 5.196 2.877 270 HA TYR 37 HA TYR 37 2.138 8.123 2.944 271 HB2 TYR 37 1HB TYR 37 3.439 6.276 4.957 272 HB3 TYR 37 2HB TYR 37 3.309 8.025 5.110 273 HD1 TYR 37 1HD TYR 37 0.594 8.627 4.373 274 HD2 TYR 37 2HD TYR 37 2.090 5.296 6.556 275 HE1 TYR 37 1HE TYR 37 -1.592 8.373 5.470 276 HE2 TYR 37 2HE TYR 37 -0.093 5.031 7.659 277 HH TYR 37 HH TYR 37 -2.782 6.032 6.681 278 H GLN 38 H GLN 38 4.554 5.525 2.845 279 HA GLN 38 HA GLN 38 6.242 7.087 1.120 280 HB2 GLN 38 1HB GLN 38 8.236 6.812 2.703 281 HB3 GLN 38 2HB GLN 38 7.078 8.082 3.075 282 HG2 GLN 38 1HG GLN 38 5.983 6.433 4.650 283 HG3 GLN 38 2HG GLN 38 7.407 5.420 4.420 284 HE21 GLN 38 1HE2 GLN 38 6.049 7.666 6.371 285 HE22 GLN 38 2HE2 GLN 38 7.469 8.308 7.117 286 H ARG 39 H ARG 39 7.768 5.849 0.036 287 HA ARG 39 HA ARG 39 7.226 3.041 -0.053 288 HB2 ARG 39 1HB ARG 39 7.763 4.301 -2.084 289 HB3 ARG 39 2HB ARG 39 9.358 4.672 -1.444 290 HG2 ARG 39 1HG ARG 39 9.896 2.918 -2.777 291 HG3 ARG 39 2HG ARG 39 9.511 2.035 -1.298 292 HD2 ARG 39 1HD ARG 39 7.461 1.317 -2.109 293 HD3 ARG 39 2HD ARG 39 7.373 2.606 -3.308 294 HE ARG 39 HE ARG 39 8.688 0.055 -3.588 295 HH11 ARG 39 2HH1 ARG 39 8.447 3.326 -4.753 296 HH12 ARG 39 1HH1 ARG 39 9.100 2.957 -6.315 297 HH21 ARG 39 2HH2 ARG 39 9.548 -0.445 -5.641 298 HH22 ARG 39 1HH2 ARG 39 9.725 0.811 -6.819 299 H ALA 40 H ALA 40 7.864 1.948 1.735 300 HA ALA 40 HA ALA 40 10.135 2.426 3.279 301 HB1 ALA 40 1HB ALA 40 9.142 0.887 4.527 302 HB2 ALA 40 2HB ALA 40 8.047 0.503 3.199 303 HB3 ALA 40 3HB ALA 40 9.580 -0.354 3.353 304 H SER 41 H SER 41 9.680 0.272 0.503 305 HA SER 41 HA SER 41 12.516 0.358 -0.051 306 HB2 SER 41 1HB SER 41 12.098 -1.558 1.613 307 HB3 SER 41 2HB SER 41 11.274 -2.369 0.281 308 HG SER 41 HG SER 41 13.190 -2.302 -0.895 309 H ASP 42 H ASP 42 13.043 -0.730 -2.115 310 HA ASP 42 HA ASP 42 11.370 0.055 -4.178 311 HB2 ASP 42 1HB ASP 42 12.780 -1.315 -5.648 312 HB3 ASP 42 2HB ASP 42 13.756 -0.415 -4.490 313 H ASP 43 H ASP 43 11.171 -2.712 -2.176 314 HA ASP 43 HA ASP 43 9.040 -3.796 -3.895 315 HB2 ASP 43 1HB ASP 43 11.305 -5.195 -2.546 316 HB3 ASP 43 2HB ASP 43 9.758 -6.030 -2.655 317 H TRP 44 H TRP 44 9.083 -1.943 -1.535 318 HA TRP 44 HA TRP 44 6.924 -3.230 -0.097 319 HB2 TRP 44 1HB TRP 44 9.499 -2.429 1.263 320 HB3 TRP 44 2HB TRP 44 7.984 -2.655 2.134 321 HD1 TRP 44 HD TRP 44 10.985 -4.504 1.154 322 HE1 TRP 44 1HE TRP 44 10.637 -7.040 1.414 323 HE3 TRP 44 3HE TRP 44 5.900 -4.576 1.675 324 HZ2 TRP 44 2HZ TRP 44 8.490 -8.835 1.789 325 HZ3 TRP 44 3HZ TRP 44 4.776 -6.743 1.980 326 HH2 TRP 44 HH TRP 44 6.046 -8.828 2.034 327 H TRP 45 H TRP 45 5.883 -1.703 1.458 328 HA TRP 45 HA TRP 45 6.401 1.116 0.860 329 HB2 TRP 45 1HB TRP 45 3.849 -0.374 0.333 330 HB3 TRP 45 2HB TRP 45 3.805 1.341 0.734 331 HD1 TRP 45 HD TRP 45 5.029 -1.057 -2.003 332 HE1 TRP 45 1HE TRP 45 5.411 0.295 -4.160 333 HE3 TRP 45 3HE TRP 45 4.301 3.651 -0.149 334 HZ2 TRP 45 2HZ TRP 45 5.404 2.999 -4.968 335 HZ3 TRP 45 3HZ TRP 45 4.508 5.566 -1.679 336 HH2 TRP 45 HH TRP 45 5.049 5.245 -4.038 337 H GLU 46 H GLU 46 5.192 2.582 2.336 338 HA GLU 46 HA GLU 46 4.682 1.302 4.940 339 HB2 GLU 46 1HB GLU 46 6.042 3.960 4.463 340 HB3 GLU 46 2HB GLU 46 5.679 3.260 6.034 341 HG2 GLU 46 1HG GLU 46 7.103 1.256 5.091 342 HG3 GLU 46 2HG GLU 46 7.772 2.522 4.063 343 H GLY 47 H GLY 47 2.490 1.360 4.980 344 HA2 GLY 47 1HA GLY 47 1.270 4.034 4.989 345 HA3 GLY 47 2HA GLY 47 0.566 2.781 3.977 346 H ARG 48 H ARG 48 -1.398 2.760 5.055 347 HA ARG 48 HA ARG 48 -1.338 1.376 7.632 348 HB2 ARG 48 1HB ARG 48 -1.619 3.712 8.224 349 HB3 ARG 48 2HB ARG 48 -2.931 3.881 7.067 350 HG2 ARG 48 1HG ARG 48 -4.234 2.231 8.387 351 HG3 ARG 48 2HG ARG 48 -2.941 2.240 9.589 352 HD2 ARG 48 1HD ARG 48 -4.492 4.672 8.710 353 HD3 ARG 48 2HD ARG 48 -4.838 3.732 10.161 354 HE ARG 48 HE ARG 48 -2.256 4.374 10.507 355 HH11 ARG 48 2HH1 ARG 48 -5.037 6.280 9.639 356 HH12 ARG 48 1HH1 ARG 48 -4.437 7.729 10.377 357 HH21 ARG 48 2HH2 ARG 48 -1.455 6.275 11.481 358 HH22 ARG 48 1HH2 ARG 48 -2.399 7.725 11.423 359 H HIS 49 H HIS 49 -3.210 0.146 8.088 360 HA HIS 49 HA HIS 49 -5.271 -0.020 6.036 361 HB2 HIS 49 1HB HIS 49 -3.612 -1.595 5.224 362 HB3 HIS 49 2HB HIS 49 -3.522 -2.364 6.806 363 HD1 HIS 49 1HD HIS 49 -4.984 -4.342 7.124 364 HD2 HIS 49 2HD HIS 49 -6.287 -1.930 4.003 365 HE1 HIS 49 1HE HIS 49 -6.905 -5.580 6.075 366 HE2 HIS 49 2HE HIS 49 -7.622 -4.142 4.136 367 H ASN 50 H ASN 50 -7.223 -0.426 6.884 368 HA ASN 50 HA ASN 50 -8.763 -0.472 8.601 369 HB2 ASN 50 1HB ASN 50 -7.327 -3.122 8.824 370 HB3 ASN 50 2HB ASN 50 -8.841 -2.764 9.649 371 HD21 ASN 50 1HD2 ASN 50 -9.491 -4.677 8.366 372 HD22 ASN 50 2HD2 ASN 50 -10.093 -4.408 6.769 373 H GLY 51 H GLY 51 -6.505 0.996 9.407 374 HA2 GLY 51 1HA GLY 51 -5.798 1.976 11.375 375 HA3 GLY 51 2HA GLY 51 -6.820 0.846 12.252 376 H ILE 52 H ILE 52 -4.265 -0.019 9.986 377 HA ILE 52 HA ILE 52 -2.570 -0.875 12.219 378 HB ILE 52 HB ILE 52 -3.242 -2.669 9.885 379 HG12 ILE 52 1HG1 ILE 52 -4.016 -3.001 12.788 380 HG13 ILE 52 2HG1 ILE 52 -5.096 -2.360 11.555 381 HG21 ILE 52 1HG2 ILE 52 -1.987 -3.866 12.214 382 HG22 ILE 52 2HG2 ILE 52 -1.558 -3.991 10.509 383 HG23 ILE 52 3HG2 ILE 52 -0.982 -2.625 11.465 384 HD11 ILE 52 1HD1 ILE 52 -3.882 -4.920 10.852 385 HD12 ILE 52 2HD1 ILE 52 -4.916 -4.971 12.281 386 HD13 ILE 52 3HD1 ILE 52 -5.559 -4.385 10.747 387 H ASP 53 H ASP 53 -0.628 -0.023 11.936 388 HA ASP 53 HA ASP 53 0.235 0.789 9.276 389 HB2 ASP 53 1HB ASP 53 1.817 2.165 10.329 390 HB3 ASP 53 2HB ASP 53 0.423 2.229 11.404 391 H GLY 54 H GLY 54 1.652 -0.305 8.077 392 HA2 GLY 54 1HA GLY 54 3.763 -1.872 9.219 393 HA3 GLY 54 2HA GLY 54 2.477 -2.875 8.562 394 H LEU 55 H LEU 55 3.903 -3.733 7.003 395 HA LEU 55 HA LEU 55 4.831 -1.852 4.948 396 HB2 LEU 55 1HB LEU 55 5.590 -4.716 5.499 397 HB3 LEU 55 2HB LEU 55 6.202 -3.763 4.149 398 HG LEU 55 HG LEU 55 6.640 -3.071 7.052 399 HD11 LEU 55 1HD1 LEU 55 7.933 -5.024 5.358 400 HD12 LEU 55 2HD1 LEU 55 8.137 -4.712 7.082 401 HD13 LEU 55 3HD1 LEU 55 9.062 -3.783 5.902 402 HD21 LEU 55 1HD2 LEU 55 8.160 -1.442 6.276 403 HD22 LEU 55 2HD2 LEU 55 6.704 -1.241 5.301 404 HD23 LEU 55 3HD2 LEU 55 8.111 -2.068 4.628 405 H ILE 56 H ILE 56 4.278 -2.094 2.799 406 HA ILE 56 HA ILE 56 2.198 -4.094 2.207 407 HB ILE 56 HB ILE 56 2.271 -1.232 1.243 408 HG12 ILE 56 1HG1 ILE 56 0.047 -2.482 2.819 409 HG13 ILE 56 2HG1 ILE 56 1.475 -1.882 3.654 410 HG21 ILE 56 1HG2 ILE 56 1.337 -3.333 -0.175 411 HG22 ILE 56 2HG2 ILE 56 -0.101 -2.899 0.748 412 HG23 ILE 56 3HG2 ILE 56 0.681 -1.700 -0.281 413 HD11 ILE 56 1HD1 ILE 56 0.293 -0.014 1.729 414 HD12 ILE 56 2HD1 ILE 56 -0.717 -0.407 3.121 415 HD13 ILE 56 3HD1 ILE 56 0.897 0.260 3.363 416 HA PRO 57 HA PRO 57 4.964 -5.227 -1.062 417 HB2 PRO 57 1HB PRO 57 3.268 -6.903 -2.362 418 HB3 PRO 57 2HB PRO 57 4.082 -7.339 -0.854 419 HG2 PRO 57 1HG PRO 57 1.287 -6.356 -1.282 420 HG3 PRO 57 2HG PRO 57 1.866 -7.657 -0.225 421 HD2 PRO 57 1HD PRO 57 1.265 -5.185 0.702 422 HD3 PRO 57 2HD PRO 57 2.539 -6.191 1.421 423 H HIS 58 H HIS 58 5.394 -4.487 -3.076 424 HA HIS 58 HA HIS 58 3.464 -2.677 -4.282 425 HB2 HIS 58 1HB HIS 58 5.778 -1.920 -4.048 426 HB3 HIS 58 2HB HIS 58 6.337 -3.284 -5.012 427 HD2 HIS 58 2HD HIS 58 5.299 -3.156 -7.780 428 HE1 HIS 58 1HE HIS 58 5.079 1.078 -7.629 429 HE2 HIS 58 2HE HIS 58 4.975 -0.960 -9.106 430 H GLN 59 H GLN 59 4.228 -5.906 -4.526 431 HA GLN 59 HA GLN 59 3.740 -6.118 -7.388 432 HB2 GLN 59 1HB GLN 59 4.347 -8.187 -5.274 433 HB3 GLN 59 2HB GLN 59 4.040 -8.578 -6.961 434 HG2 GLN 59 1HG GLN 59 6.280 -6.852 -5.928 435 HG3 GLN 59 2HG GLN 59 6.421 -8.521 -6.476 436 HE21 GLN 59 1HE2 GLN 59 7.699 -6.067 -7.455 437 HE22 GLN 59 2HE2 GLN 59 7.305 -5.971 -9.134 438 H TYR 60 H TYR 60 2.003 -6.229 -4.452 439 HA TYR 60 HA TYR 60 -0.271 -7.554 -5.772 440 HB2 TYR 60 1HB TYR 60 0.389 -7.221 -2.842 441 HB3 TYR 60 2HB TYR 60 -1.148 -7.847 -3.429 442 HD1 TYR 60 2HD TYR 60 2.522 -8.470 -3.690 443 HD2 TYR 60 1HD TYR 60 -1.394 -10.131 -3.745 444 HE1 TYR 60 2HE TYR 60 3.489 -10.730 -3.792 445 HE2 TYR 60 1HE TYR 60 -0.439 -12.396 -3.846 446 HH TYR 60 HH TYR 60 2.993 -12.924 -4.279 447 H ILE 61 H ILE 61 0.776 -4.614 -5.607 448 HA ILE 61 HA ILE 61 -1.891 -3.460 -5.394 449 HB ILE 61 HB ILE 61 -1.172 -1.611 -3.985 450 HG12 ILE 61 1HG1 ILE 61 1.115 -2.204 -2.723 451 HG13 ILE 61 2HG1 ILE 61 1.468 -2.950 -4.278 452 HG21 ILE 61 1HG2 ILE 61 -0.816 -4.390 -2.920 453 HG22 ILE 61 2HG2 ILE 61 -0.697 -2.981 -1.866 454 HG23 ILE 61 3HG2 ILE 61 -2.192 -3.301 -2.744 455 HD11 ILE 61 1HD1 ILE 61 1.333 -0.131 -3.528 456 HD12 ILE 61 2HD1 ILE 61 2.222 -0.925 -4.829 457 HD13 ILE 61 3HD1 ILE 61 0.518 -0.522 -5.042 458 H VAL 62 H VAL 62 -2.093 -1.401 -6.425 459 HA VAL 62 HA VAL 62 0.113 -0.801 -8.288 460 HB VAL 62 HB VAL 62 -2.853 -0.523 -8.796 461 HG11 VAL 62 1HG1 VAL 62 -1.184 1.168 -9.828 462 HG12 VAL 62 2HG1 VAL 62 -0.714 -0.183 -10.860 463 HG13 VAL 62 3HG1 VAL 62 -2.380 0.397 -10.869 464 HG21 VAL 62 1HG2 VAL 62 -1.610 -2.183 -10.699 465 HG22 VAL 62 2HG2 VAL 62 -1.053 -2.727 -9.117 466 HG23 VAL 62 3HG2 VAL 62 -2.780 -2.642 -9.462 467 H VAL 63 H VAL 63 1.050 1.055 -7.762 468 HA VAL 63 HA VAL 63 -0.187 3.028 -6.124 469 HB VAL 63 HB VAL 63 2.353 3.150 -7.754 470 HG11 VAL 63 1HG1 VAL 63 2.933 5.134 -6.564 471 HG12 VAL 63 2HG1 VAL 63 1.329 5.381 -7.255 472 HG13 VAL 63 3HG1 VAL 63 1.504 5.007 -5.540 473 HG21 VAL 63 1HG2 VAL 63 1.714 2.365 -4.940 474 HG22 VAL 63 2HG2 VAL 63 2.734 1.548 -6.123 475 HG23 VAL 63 3HG2 VAL 63 3.299 3.024 -5.342 476 H GLN 64 H GLN 64 -1.848 4.183 -6.882 477 HA GLN 64 HA GLN 64 -2.159 4.864 -9.637 478 HB2 GLN 64 1HB GLN 64 -3.613 5.947 -7.218 479 HB3 GLN 64 2HB GLN 64 -4.121 6.126 -8.892 480 HG2 GLN 64 1HG GLN 64 -3.698 3.384 -7.835 481 HG3 GLN 64 2HG GLN 64 -5.133 4.271 -7.324 482 HE21 GLN 64 1HE2 GLN 64 -4.629 1.890 -9.118 483 HE22 GLN 64 2HE2 GLN 64 -5.506 2.256 -10.560 484 H ASP 65 H ASP 65 -0.227 5.990 -10.131 485 HA ASP 65 HA ASP 65 0.192 8.566 -8.821 486 HB2 ASP 65 1HB ASP 65 2.340 8.589 -9.773 487 HB3 ASP 65 2HB ASP 65 2.071 6.896 -9.370 488 H THR 66 H THR 66 -0.160 10.502 -9.768 489 HA THR 66 HA THR 66 -0.427 10.895 -12.565 490 HB THR 66 HB THR 66 -2.581 9.741 -12.164 491 HG1 THR 66 1HG THR 66 -3.861 11.762 -12.892 492 HG21 THR 66 1HG2 THR 66 -4.266 10.623 -10.769 493 HG22 THR 66 2HG2 THR 66 -3.400 12.144 -10.549 494 HG23 THR 66 3HG2 THR 66 -2.795 10.668 -9.797 495 H SER 67 H SER 67 -0.403 13.048 -13.103 496 HA SER 67 HA SER 67 0.329 14.876 -11.035 497 HB2 SER 67 1HB SER 67 0.494 16.528 -12.880 498 HB3 SER 67 2HB SER 67 1.359 15.034 -13.239 499 HG SER 67 HG SER 67 -0.728 16.174 -14.543 500 H GLY 68 H GLY 68 -0.878 16.319 -9.965 501 HA2 GLY 68 1HA GLY 68 -3.629 16.795 -10.932 502 HA3 GLY 68 2HA GLY 68 -3.279 16.498 -9.236 503 HA PRO 69 HA PRO 69 -2.744 21.088 -10.614 504 HB2 PRO 69 1HB PRO 69 -5.273 22.036 -10.339 505 HB3 PRO 69 2HB PRO 69 -4.639 21.421 -11.870 506 HG2 PRO 69 1HG PRO 69 -6.376 20.052 -9.852 507 HG3 PRO 69 2HG PRO 69 -6.500 20.049 -11.621 508 HD2 PRO 69 1HD PRO 69 -5.408 17.996 -10.234 509 HD3 PRO 69 2HD PRO 69 -4.857 18.450 -11.859 510 H SER 70 H SER 70 -1.647 21.301 -8.666 511 HA SER 70 HA SER 70 -3.279 21.612 -6.242 512 HB2 SER 70 1HB SER 70 -0.391 20.912 -6.693 513 HB3 SER 70 2HB SER 70 -0.925 21.550 -5.138 514 HG SER 70 HG SER 70 -1.902 19.226 -6.445 515 H SER 71 H SER 71 -3.709 23.598 -5.575 516 HA SER 71 HA SER 71 -2.063 25.816 -6.562 517 HB2 SER 71 1HB SER 71 -4.806 25.865 -5.280 518 HB3 SER 71 2HB SER 71 -3.957 27.257 -5.951 519 HG SER 71 HG SER 71 -5.341 25.252 -7.226 520 H GLY 72 H GLY 72 -0.448 26.324 -5.227 521 HA2 GLY 72 1HA GLY 72 -0.583 27.616 -2.888 522 HA3 GLY 72 2HA GLY 72 -0.720 25.946 -2.358 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.010 24.991 4.973 2 HA2 GLY 1 1HA GLY 1 5.169 24.496 5.650 3 HA3 GLY 1 2HA GLY 1 4.956 25.587 7.011 4 H SER 2 H SER 2 4.071 22.367 5.819 5 HA SER 2 HA SER 2 3.342 21.457 8.457 6 HB2 SER 2 1HB SER 2 2.870 19.334 7.401 7 HB3 SER 2 2HB SER 2 2.236 20.619 6.374 8 HG SER 2 HG SER 2 4.086 20.397 5.068 9 H SER 3 H SER 3 4.438 19.947 9.715 10 HA SER 3 HA SER 3 7.227 19.402 8.945 11 HB2 SER 3 1HB SER 3 6.819 21.269 10.726 12 HB3 SER 3 2HB SER 3 6.489 19.918 11.811 13 HG SER 3 HG SER 3 8.586 19.088 11.129 14 H GLY 4 H GLY 4 7.669 17.304 8.934 15 HA2 GLY 4 1HA GLY 4 7.757 15.283 10.396 16 HA3 GLY 4 2HA GLY 4 6.036 15.532 10.646 17 H SER 5 H SER 5 4.592 14.774 9.167 18 HA SER 5 HA SER 5 5.206 12.615 7.589 19 HB2 SER 5 1HB SER 5 2.922 12.975 8.100 20 HB3 SER 5 2HB SER 5 2.940 14.597 7.410 21 HG SER 5 HG SER 5 3.011 12.111 6.065 22 H SER 6 H SER 6 5.723 12.257 5.465 23 HA SER 6 HA SER 6 6.882 14.534 4.055 24 HB2 SER 6 1HB SER 6 8.297 12.567 4.297 25 HB3 SER 6 2HB SER 6 7.071 11.557 3.532 26 HG SER 6 HG SER 6 8.928 13.225 2.401 27 H GLY 7 H GLY 7 5.267 15.620 3.036 28 HA2 GLY 7 1HA GLY 7 3.671 16.075 1.451 29 HA3 GLY 7 2HA GLY 7 4.281 14.665 0.596 30 H GLU 8 H GLU 8 1.783 14.901 0.148 31 HA GLU 8 HA GLU 8 0.085 13.792 2.189 32 HB2 GLU 8 1HB GLU 8 -0.314 14.556 -0.690 33 HB3 GLU 8 2HB GLU 8 -1.553 13.673 0.190 34 HG2 GLU 8 1HG GLU 8 -1.834 16.163 0.111 35 HG3 GLU 8 2HG GLU 8 -1.869 15.441 1.718 36 HA PRO 9 HA PRO 9 0.521 9.508 1.348 37 HB2 PRO 9 1HB PRO 9 -2.000 8.615 1.817 38 HB3 PRO 9 2HB PRO 9 -0.910 9.138 3.106 39 HG2 PRO 9 1HG PRO 9 -3.136 10.640 1.782 40 HG3 PRO 9 2HG PRO 9 -2.715 10.551 3.503 41 HD2 PRO 9 1HD PRO 9 -2.034 12.657 1.943 42 HD3 PRO 9 2HD PRO 9 -1.028 12.108 3.299 43 H ILE 10 H ILE 10 0.076 7.869 -0.166 44 HA ILE 10 HA ILE 10 -1.353 8.807 -2.561 45 HB ILE 10 HB ILE 10 0.749 6.646 -2.382 46 HG12 ILE 10 1HG1 ILE 10 1.067 9.404 -3.564 47 HG13 ILE 10 2HG1 ILE 10 1.507 9.031 -1.901 48 HG21 ILE 10 1HG2 ILE 10 -0.495 6.135 -4.265 49 HG22 ILE 10 2HG2 ILE 10 -0.834 7.826 -4.626 50 HG23 ILE 10 3HG2 ILE 10 0.774 7.167 -4.923 51 HD11 ILE 10 1HD1 ILE 10 2.621 7.402 -4.136 52 HD12 ILE 10 2HD1 ILE 10 3.310 8.980 -3.753 53 HD13 ILE 10 3HD1 ILE 10 3.282 7.708 -2.531 54 H GLU 11 H GLU 11 -3.231 7.881 -3.011 55 HA GLU 11 HA GLU 11 -4.129 5.563 -1.568 56 HB2 GLU 11 1HB GLU 11 -5.325 7.496 -3.485 57 HB3 GLU 11 2HB GLU 11 -6.083 5.915 -3.359 58 HG2 GLU 11 1HG GLU 11 -6.616 6.225 -1.100 59 HG3 GLU 11 2HG GLU 11 -5.511 7.589 -0.940 60 H ALA 12 H ALA 12 -3.750 3.536 -2.135 61 HA ALA 12 HA ALA 12 -3.334 2.922 -4.989 62 HB1 ALA 12 1HB ALA 12 -2.145 0.926 -3.338 63 HB2 ALA 12 2HB ALA 12 -1.375 2.008 -4.499 64 HB3 ALA 12 3HB ALA 12 -1.573 2.512 -2.820 65 H ILE 13 H ILE 13 -3.809 0.620 -5.546 66 HA ILE 13 HA ILE 13 -6.109 -0.369 -3.988 67 HB ILE 13 HB ILE 13 -5.707 -0.517 -6.979 68 HG12 ILE 13 1HG1 ILE 13 -6.367 1.704 -6.369 69 HG13 ILE 13 2HG1 ILE 13 -7.798 0.889 -6.992 70 HG21 ILE 13 1HG2 ILE 13 -8.083 -1.425 -5.366 71 HG22 ILE 13 2HG2 ILE 13 -7.825 -1.618 -7.099 72 HG23 ILE 13 3HG2 ILE 13 -6.818 -2.504 -5.954 73 HD11 ILE 13 1HD1 ILE 13 -8.594 1.992 -5.131 74 HD12 ILE 13 2HD1 ILE 13 -8.286 0.370 -4.510 75 HD13 ILE 13 3HD1 ILE 13 -7.139 1.670 -4.189 76 H ALA 14 H ALA 14 -6.202 -2.510 -3.511 77 HA ALA 14 HA ALA 14 -3.807 -4.024 -3.596 78 HB1 ALA 14 1HB ALA 14 -6.466 -5.286 -3.082 79 HB2 ALA 14 2HB ALA 14 -4.909 -5.595 -2.314 80 HB3 ALA 14 3HB ALA 14 -5.803 -4.124 -1.932 81 H LYS 15 H LYS 15 -3.013 -5.199 -5.200 82 HA LYS 15 HA LYS 15 -4.487 -5.643 -7.610 83 HB2 LYS 15 1HB LYS 15 -1.727 -6.174 -6.648 84 HB3 LYS 15 2HB LYS 15 -2.311 -7.167 -7.977 85 HG2 LYS 15 1HG LYS 15 -3.014 -4.801 -8.942 86 HG3 LYS 15 2HG LYS 15 -1.695 -4.270 -7.895 87 HD2 LYS 15 1HD LYS 15 -0.695 -4.686 -9.984 88 HD3 LYS 15 2HD LYS 15 -0.299 -6.094 -8.996 89 HE2 LYS 15 1HE LYS 15 -0.963 -7.025 -11.023 90 HE3 LYS 15 2HE LYS 15 -2.412 -7.144 -10.025 91 HZ1 LYS 15 1HZ LYS 15 -2.690 -4.727 -11.192 92 HZ2 LYS 15 2HZ LYS 15 -3.411 -6.155 -11.740 93 HZ3 LYS 15 3HZ LYS 15 -1.959 -5.624 -12.427 94 H PHE 16 H PHE 16 -3.446 -7.657 -4.905 95 HA PHE 16 HA PHE 16 -5.465 -9.620 -5.605 96 HB2 PHE 16 1HB PHE 16 -2.716 -10.694 -5.093 97 HB3 PHE 16 2HB PHE 16 -4.073 -11.454 -5.918 98 HD1 PHE 16 2HD PHE 16 -4.649 -10.765 -8.230 99 HD2 PHE 16 1HD PHE 16 -1.128 -9.398 -6.268 100 HE1 PHE 16 2HE PHE 16 -3.698 -10.107 -10.402 101 HE2 PHE 16 1HE PHE 16 -0.171 -8.737 -8.436 102 HZ PHE 16 HZ PHE 16 -1.456 -9.092 -10.507 103 H ASP 17 H ASP 17 -6.127 -10.888 -3.871 104 HA ASP 17 HA ASP 17 -6.051 -9.791 -1.343 105 HB2 ASP 17 1HB ASP 17 -6.321 -12.761 -1.685 106 HB3 ASP 17 2HB ASP 17 -7.193 -11.685 -0.596 107 H TYR 18 H TYR 18 -4.220 -9.343 -0.281 108 HA TYR 18 HA TYR 18 -2.180 -11.455 -0.068 109 HB2 TYR 18 1HB TYR 18 -1.496 -9.263 -1.103 110 HB3 TYR 18 2HB TYR 18 -1.802 -8.503 0.455 111 HD1 TYR 18 2HD TYR 18 -0.400 -9.119 2.420 112 HD2 TYR 18 1HD TYR 18 0.498 -10.499 -1.503 113 HE1 TYR 18 2HE TYR 18 1.882 -9.680 3.146 114 HE2 TYR 18 1HE TYR 18 2.782 -11.065 -0.788 115 HH TYR 18 HH TYR 18 3.713 -11.160 2.480 116 H VAL 19 H VAL 19 -1.193 -11.839 1.963 117 HA VAL 19 HA VAL 19 -2.689 -10.821 4.287 118 HB VAL 19 HB VAL 19 -3.472 -13.071 3.903 119 HG11 VAL 19 1HG1 VAL 19 -0.606 -13.988 4.088 120 HG12 VAL 19 2HG1 VAL 19 -2.030 -14.983 3.778 121 HG13 VAL 19 3HG1 VAL 19 -1.496 -13.807 2.577 122 HG21 VAL 19 1HG2 VAL 19 -1.838 -12.399 6.248 123 HG22 VAL 19 2HG2 VAL 19 -3.506 -12.963 6.150 124 HG23 VAL 19 3HG2 VAL 19 -2.177 -14.118 6.048 125 H GLY 20 H GLY 20 -1.379 -9.762 5.614 126 HA2 GLY 20 1HA GLY 20 1.369 -9.568 5.405 127 HA3 GLY 20 2HA GLY 20 0.465 -9.211 6.869 128 H ARG 21 H ARG 21 2.569 -11.409 5.287 129 HA ARG 21 HA ARG 21 2.248 -13.752 6.712 130 HB2 ARG 21 1HB ARG 21 4.765 -12.453 5.667 131 HB3 ARG 21 2HB ARG 21 4.722 -14.083 6.326 132 HG2 ARG 21 1HG ARG 21 2.787 -14.358 4.542 133 HG3 ARG 21 2HG ARG 21 3.664 -13.040 3.762 134 HD2 ARG 21 1HD ARG 21 4.662 -14.925 2.854 135 HD3 ARG 21 2HD ARG 21 5.754 -14.504 4.173 136 HE ARG 21 HE ARG 21 3.742 -16.367 4.976 137 HH11 ARG 21 2HH1 ARG 21 6.813 -16.056 3.367 138 HH12 ARG 21 1HH1 ARG 21 7.309 -17.679 3.719 139 HH21 ARG 21 2HH2 ARG 21 4.382 -18.505 5.445 140 HH22 ARG 21 1HH2 ARG 21 5.925 -19.071 4.900 141 H THR 22 H THR 22 4.055 -10.847 7.614 142 HA THR 22 HA THR 22 4.301 -11.942 10.341 143 HB THR 22 HB THR 22 6.310 -10.572 10.643 144 HG1 THR 22 1HG THR 22 6.212 -10.013 7.859 145 HG21 THR 22 1HG2 THR 22 6.072 -12.799 8.824 146 HG22 THR 22 2HG2 THR 22 7.339 -12.443 9.999 147 HG23 THR 22 3HG2 THR 22 7.428 -11.766 8.373 148 H ALA 23 H ALA 23 4.684 -10.051 11.961 149 HA ALA 23 HA ALA 23 2.345 -8.562 12.149 150 HB1 ALA 23 1HB ALA 23 3.923 -7.122 13.737 151 HB2 ALA 23 2HB ALA 23 3.337 -8.725 14.185 152 HB3 ALA 23 3HB ALA 23 4.964 -8.532 13.534 153 H ARG 24 H ARG 24 5.536 -7.606 10.936 154 HA ARG 24 HA ARG 24 5.055 -4.892 10.554 155 HB2 ARG 24 1HB ARG 24 6.905 -6.887 9.338 156 HB3 ARG 24 2HB ARG 24 6.736 -5.329 8.540 157 HG2 ARG 24 1HG ARG 24 8.471 -4.851 9.921 158 HG3 ARG 24 2HG ARG 24 7.135 -4.436 10.997 159 HD2 ARG 24 1HD ARG 24 7.317 -6.965 11.675 160 HD3 ARG 24 2HD ARG 24 8.954 -6.799 11.041 161 HE ARG 24 HE ARG 24 9.491 -5.448 12.833 162 HH11 ARG 24 2HH1 ARG 24 6.061 -6.042 12.762 163 HH12 ARG 24 1HH1 ARG 24 5.785 -5.395 14.345 164 HH21 ARG 24 2HH2 ARG 24 9.140 -4.593 14.918 165 HH22 ARG 24 1HH2 ARG 24 7.536 -4.570 15.570 166 H GLU 25 H GLU 25 4.650 -7.563 8.229 167 HA GLU 25 HA GLU 25 3.603 -5.974 6.151 168 HB2 GLU 25 1HB GLU 25 3.232 -8.922 6.708 169 HB3 GLU 25 2HB GLU 25 2.803 -8.123 5.202 170 HG2 GLU 25 1HG GLU 25 4.984 -7.849 4.560 171 HG3 GLU 25 2HG GLU 25 5.589 -7.878 6.215 172 H LEU 26 H LEU 26 1.368 -6.196 5.268 173 HA LEU 26 HA LEU 26 -0.618 -6.269 7.444 174 HB2 LEU 26 1HB LEU 26 -0.631 -4.477 5.020 175 HB3 LEU 26 2HB LEU 26 -1.849 -4.512 6.294 176 HG LEU 26 HG LEU 26 1.028 -3.755 6.771 177 HD11 LEU 26 1HD1 LEU 26 0.522 -1.515 6.480 178 HD12 LEU 26 2HD1 LEU 26 -1.217 -1.787 6.583 179 HD13 LEU 26 3HD1 LEU 26 -0.332 -2.281 5.140 180 HD21 LEU 26 1HD2 LEU 26 -1.160 -2.778 8.481 181 HD22 LEU 26 2HD2 LEU 26 0.449 -3.360 8.911 182 HD23 LEU 26 3HD2 LEU 26 -0.843 -4.511 8.565 183 H SER 27 H SER 27 -2.643 -7.134 6.982 184 HA SER 27 HA SER 27 -2.712 -8.826 4.584 185 HB2 SER 27 1HB SER 27 -4.119 -10.309 5.755 186 HB3 SER 27 2HB SER 27 -2.945 -9.788 6.963 187 HG SER 27 HG SER 27 -4.550 -9.048 8.077 188 H PHE 28 H PHE 28 -3.958 -8.227 2.952 189 HA PHE 28 HA PHE 28 -6.477 -6.836 3.505 190 HB2 PHE 28 1HB PHE 28 -5.990 -5.350 1.502 191 HB3 PHE 28 2HB PHE 28 -5.058 -5.012 2.957 192 HD1 PHE 28 1HD PHE 28 -4.903 -6.730 -0.323 193 HD2 PHE 28 2HD PHE 28 -2.726 -5.019 2.910 194 HE1 PHE 28 1HE PHE 28 -2.819 -6.949 -1.614 195 HE2 PHE 28 2HE PHE 28 -0.640 -5.234 1.624 196 HZ PHE 28 HZ PHE 28 -0.685 -6.199 -0.642 197 H LYS 29 H LYS 29 -7.773 -6.646 1.372 198 HA LYS 29 HA LYS 29 -7.492 -9.184 -0.100 199 HB2 LYS 29 1HB LYS 29 -9.966 -7.707 0.789 200 HB3 LYS 29 2HB LYS 29 -10.007 -8.976 -0.427 201 HG2 LYS 29 1HG LYS 29 -10.520 -10.169 1.451 202 HG3 LYS 29 2HG LYS 29 -8.765 -10.361 1.416 203 HD2 LYS 29 1HD LYS 29 -9.044 -9.743 3.600 204 HD3 LYS 29 2HD LYS 29 -8.849 -8.151 2.862 205 HE2 LYS 29 1HE LYS 29 -11.323 -7.983 2.709 206 HE3 LYS 29 2HE LYS 29 -11.443 -9.509 3.584 207 HZ1 LYS 29 1HZ LYS 29 -10.128 -7.060 4.628 208 HZ2 LYS 29 2HZ LYS 29 -10.365 -8.508 5.469 209 HZ3 LYS 29 3HZ LYS 29 -11.694 -7.559 5.029 210 H LYS 30 H LYS 30 -7.972 -9.194 -2.318 211 HA LYS 30 HA LYS 30 -7.049 -7.097 -3.836 212 HB2 LYS 30 1HB LYS 30 -7.387 -9.409 -4.661 213 HB3 LYS 30 2HB LYS 30 -9.123 -9.127 -4.685 214 HG2 LYS 30 1HG LYS 30 -8.876 -7.442 -6.386 215 HG3 LYS 30 2HG LYS 30 -7.118 -7.565 -6.298 216 HD2 LYS 30 1HD LYS 30 -7.102 -9.690 -7.278 217 HD3 LYS 30 2HD LYS 30 -8.818 -9.950 -6.954 218 HE2 LYS 30 1HE LYS 30 -7.779 -7.838 -8.833 219 HE3 LYS 30 2HE LYS 30 -8.229 -9.462 -9.351 220 HZ1 LYS 30 1HZ LYS 30 -10.190 -8.408 -9.686 221 HZ2 LYS 30 2HZ LYS 30 -9.926 -7.251 -8.481 222 HZ3 LYS 30 3HZ LYS 30 -10.421 -8.813 -8.060 223 H GLY 31 H GLY 31 -7.826 -5.198 -4.520 224 HA2 GLY 31 1HA GLY 31 -9.520 -3.749 -5.330 225 HA3 GLY 31 2HA GLY 31 -10.724 -4.760 -4.545 226 H ALA 32 H ALA 32 -9.374 -4.868 -1.997 227 HA ALA 32 HA ALA 32 -10.556 -2.779 -0.656 228 HB1 ALA 32 1HB ALA 32 -9.242 -4.983 0.125 229 HB2 ALA 32 2HB ALA 32 -8.031 -3.761 0.516 230 HB3 ALA 32 3HB ALA 32 -9.646 -3.657 1.217 231 H SER 33 H SER 33 -10.024 -0.729 -0.098 232 HA SER 33 HA SER 33 -8.000 0.595 -1.618 233 HB2 SER 33 1HB SER 33 -10.275 1.530 -0.813 234 HB3 SER 33 2HB SER 33 -9.447 1.831 0.715 235 HG SER 33 HG SER 33 -8.121 2.689 -1.555 236 H LEU 34 H LEU 34 -5.990 1.184 -1.051 237 HA LEU 34 HA LEU 34 -5.175 0.825 1.754 238 HB2 LEU 34 1HB LEU 34 -3.522 0.106 -0.661 239 HB3 LEU 34 2HB LEU 34 -3.057 -0.091 1.028 240 HG LEU 34 HG LEU 34 -5.476 -1.514 0.010 241 HD11 LEU 34 1HD1 LEU 34 -4.249 -3.292 -0.897 242 HD12 LEU 34 2HD1 LEU 34 -2.723 -2.679 -0.263 243 HD13 LEU 34 3HD1 LEU 34 -3.524 -1.843 -1.593 244 HD21 LEU 34 1HD2 LEU 34 -4.877 -1.505 2.410 245 HD22 LEU 34 2HD2 LEU 34 -3.342 -2.272 2.002 246 HD23 LEU 34 3HD2 LEU 34 -4.860 -3.119 1.700 247 H LEU 35 H LEU 35 -4.026 2.452 2.615 248 HA LEU 35 HA LEU 35 -3.407 4.729 0.885 249 HB2 LEU 35 1HB LEU 35 -4.731 4.719 3.182 250 HB3 LEU 35 2HB LEU 35 -3.101 4.854 3.838 251 HG LEU 35 HG LEU 35 -2.844 6.878 2.288 252 HD11 LEU 35 1HD1 LEU 35 -4.790 7.960 1.508 253 HD12 LEU 35 2HD1 LEU 35 -5.849 6.853 2.381 254 HD13 LEU 35 3HD1 LEU 35 -4.929 6.279 0.990 255 HD21 LEU 35 1HD2 LEU 35 -3.231 8.152 4.092 256 HD22 LEU 35 2HD2 LEU 35 -3.593 6.623 4.893 257 HD23 LEU 35 3HD2 LEU 35 -4.902 7.609 4.241 258 H LEU 36 H LEU 36 -1.381 5.619 0.715 259 HA LEU 36 HA LEU 36 0.815 4.082 1.939 260 HB2 LEU 36 1HB LEU 36 0.849 5.514 -0.712 261 HB3 LEU 36 2HB LEU 36 2.155 4.553 -0.021 262 HG LEU 36 HG LEU 36 -0.504 3.536 -1.017 263 HD11 LEU 36 1HD1 LEU 36 2.274 3.570 -2.095 264 HD12 LEU 36 2HD1 LEU 36 0.739 3.842 -2.920 265 HD13 LEU 36 3HD1 LEU 36 1.220 2.206 -2.469 266 HD21 LEU 36 1HD2 LEU 36 0.798 1.300 -0.611 267 HD22 LEU 36 2HD2 LEU 36 -0.094 2.070 0.701 268 HD23 LEU 36 3HD2 LEU 36 1.657 2.261 0.593 269 H TYR 37 H TYR 37 2.448 5.183 2.914 270 HA TYR 37 HA TYR 37 2.136 8.107 3.071 271 HB2 TYR 37 1HB TYR 37 3.403 6.218 5.066 272 HB3 TYR 37 2HB TYR 37 3.252 7.961 5.258 273 HD1 TYR 37 1HD TYR 37 0.526 8.506 4.418 274 HD2 TYR 37 2HD TYR 37 2.051 5.233 6.670 275 HE1 TYR 37 1HE TYR 37 -1.680 8.203 5.462 276 HE2 TYR 37 2HE TYR 37 -0.151 4.921 7.719 277 HH TYR 37 HH TYR 37 -2.603 7.216 7.563 278 H GLN 38 H GLN 38 4.572 5.521 3.013 279 HA GLN 38 HA GLN 38 6.300 7.157 1.375 280 HB2 GLN 38 1HB GLN 38 8.253 6.861 2.919 281 HB3 GLN 38 2HB GLN 38 7.017 7.965 3.507 282 HG2 GLN 38 1HG GLN 38 6.097 6.034 4.840 283 HG3 GLN 38 2HG GLN 38 7.564 5.155 4.410 284 HE21 GLN 38 1HE2 GLN 38 6.202 6.816 6.806 285 HE22 GLN 38 2HE2 GLN 38 7.599 7.484 7.570 286 H ARG 39 H ARG 39 7.634 5.957 0.101 287 HA ARG 39 HA ARG 39 7.121 3.159 -0.084 288 HB2 ARG 39 1HB ARG 39 7.550 4.450 -2.089 289 HB3 ARG 39 2HB ARG 39 9.136 4.917 -1.491 290 HG2 ARG 39 1HG ARG 39 9.755 3.240 -2.884 291 HG3 ARG 39 2HG ARG 39 9.473 2.291 -1.423 292 HD2 ARG 39 1HD ARG 39 7.422 1.492 -2.193 293 HD3 ARG 39 2HD ARG 39 7.271 2.772 -3.396 294 HE ARG 39 HE ARG 39 8.718 0.287 -3.665 295 HH11 ARG 39 2HH1 ARG 39 8.253 3.521 -4.866 296 HH12 ARG 39 1HH1 ARG 39 8.899 3.171 -6.435 297 HH21 ARG 39 2HH2 ARG 39 9.571 -0.187 -5.727 298 HH22 ARG 39 1HH2 ARG 39 9.648 1.061 -6.924 299 H ALA 40 H ALA 40 7.820 2.057 1.700 300 HA ALA 40 HA ALA 40 10.143 2.431 3.149 301 HB1 ALA 40 1HB ALA 40 9.692 -0.339 3.135 302 HB2 ALA 40 2HB ALA 40 9.134 0.841 4.322 303 HB3 ALA 40 3HB ALA 40 8.110 0.419 2.950 304 H SER 41 H SER 41 9.631 0.398 0.287 305 HA SER 41 HA SER 41 12.410 0.627 -0.428 306 HB2 SER 41 1HB SER 41 12.272 -1.296 1.249 307 HB3 SER 41 2HB SER 41 11.357 -2.166 0.019 308 HG SER 41 HG SER 41 13.590 -2.637 -0.094 309 H ASP 42 H ASP 42 12.827 -0.814 -2.450 310 HA ASP 42 HA ASP 42 11.081 0.009 -4.470 311 HB2 ASP 42 1HB ASP 42 13.055 -2.283 -4.560 312 HB3 ASP 42 2HB ASP 42 12.366 -1.452 -5.952 313 H ASP 43 H ASP 43 11.142 -2.889 -2.529 314 HA ASP 43 HA ASP 43 8.768 -3.863 -3.981 315 HB2 ASP 43 1HB ASP 43 11.036 -5.233 -3.911 316 HB3 ASP 43 2HB ASP 43 10.424 -5.723 -2.334 317 H TRP 44 H TRP 44 8.883 -1.977 -1.746 318 HA TRP 44 HA TRP 44 6.931 -3.270 -0.065 319 HB2 TRP 44 1HB TRP 44 9.599 -2.394 1.045 320 HB3 TRP 44 2HB TRP 44 8.172 -2.628 2.050 321 HD1 TRP 44 HD TRP 44 11.135 -4.428 1.001 322 HE1 TRP 44 1HE TRP 44 10.852 -6.971 1.284 323 HE3 TRP 44 3HE TRP 44 6.062 -4.618 1.606 324 HZ2 TRP 44 2HZ TRP 44 8.756 -8.813 1.707 325 HZ3 TRP 44 3HZ TRP 44 4.996 -6.810 1.945 326 HH2 TRP 44 HH TRP 44 6.317 -8.863 1.993 327 H TRP 45 H TRP 45 5.926 -1.743 1.462 328 HA TRP 45 HA TRP 45 6.400 1.079 0.857 329 HB2 TRP 45 1HB TRP 45 3.878 -0.443 0.315 330 HB3 TRP 45 2HB TRP 45 3.777 1.249 0.796 331 HD1 TRP 45 HD TRP 45 5.087 -0.971 -2.054 332 HE1 TRP 45 1HE TRP 45 5.390 0.492 -4.150 333 HE3 TRP 45 3HE TRP 45 4.148 3.610 0.012 334 HZ2 TRP 45 2HZ TRP 45 5.251 3.226 -4.836 335 HZ3 TRP 45 3HZ TRP 45 4.254 5.599 -1.433 336 HH2 TRP 45 HH TRP 45 4.794 5.409 -3.806 337 H GLU 46 H GLU 46 5.081 2.511 2.334 338 HA GLU 46 HA GLU 46 4.630 1.219 4.939 339 HB2 GLU 46 1HB GLU 46 6.050 3.846 4.467 340 HB3 GLU 46 2HB GLU 46 5.643 3.180 6.042 341 HG2 GLU 46 1HG GLU 46 7.023 1.122 5.130 342 HG3 GLU 46 2HG GLU 46 7.754 2.370 4.123 343 H GLY 47 H GLY 47 2.426 1.294 4.905 344 HA2 GLY 47 1HA GLY 47 1.248 3.988 4.997 345 HA3 GLY 47 2HA GLY 47 0.538 2.778 3.939 346 H ARG 48 H ARG 48 -1.438 2.729 4.984 347 HA ARG 48 HA ARG 48 -1.423 1.296 7.537 348 HB2 ARG 48 1HB ARG 48 -1.727 3.607 8.177 349 HB3 ARG 48 2HB ARG 48 -2.995 3.814 6.976 350 HG2 ARG 48 1HG ARG 48 -4.105 1.839 8.346 351 HG3 ARG 48 2HG ARG 48 -3.086 2.496 9.628 352 HD2 ARG 48 1HD ARG 48 -4.946 3.773 9.944 353 HD3 ARG 48 2HD ARG 48 -4.105 4.780 8.766 354 HE ARG 48 HE ARG 48 -5.937 2.846 7.643 355 HH11 ARG 48 2HH1 ARG 48 -5.492 6.094 8.814 356 HH12 ARG 48 1HH1 ARG 48 -6.844 6.734 7.941 357 HH21 ARG 48 2HH2 ARG 48 -7.720 3.676 6.487 358 HH22 ARG 48 1HH2 ARG 48 -8.111 5.358 6.618 359 H HIS 49 H HIS 49 -3.184 -0.059 7.867 360 HA HIS 49 HA HIS 49 -5.193 -0.200 5.736 361 HB2 HIS 49 1HB HIS 49 -3.581 -1.840 5.062 362 HB3 HIS 49 2HB HIS 49 -3.465 -2.483 6.698 363 HD1 HIS 49 1HD HIS 49 -5.120 -4.266 7.365 364 HD2 HIS 49 2HD HIS 49 -6.013 -2.522 3.701 365 HE1 HIS 49 1HE HIS 49 -6.958 -5.673 6.380 366 HE2 HIS 49 2HE HIS 49 -7.422 -4.649 4.126 367 H ASN 50 H ASN 50 -7.138 -0.123 6.626 368 HA ASN 50 HA ASN 50 -8.790 -0.160 8.205 369 HB2 ASN 50 1HB ASN 50 -8.885 -2.470 7.508 370 HB3 ASN 50 2HB ASN 50 -7.555 -2.895 8.581 371 HD21 ASN 50 1HD2 ASN 50 -8.278 -4.062 10.196 372 HD22 ASN 50 2HD2 ASN 50 -9.732 -3.783 11.088 373 H GLY 51 H GLY 51 -6.512 1.192 9.108 374 HA2 GLY 51 1HA GLY 51 -5.886 2.176 11.105 375 HA3 GLY 51 2HA GLY 51 -6.958 1.065 11.944 376 H ILE 52 H ILE 52 -4.341 0.152 9.771 377 HA ILE 52 HA ILE 52 -2.746 -0.740 12.064 378 HB ILE 52 HB ILE 52 -3.363 -2.506 9.693 379 HG12 ILE 52 1HG1 ILE 52 -4.228 -2.859 12.568 380 HG13 ILE 52 2HG1 ILE 52 -5.261 -2.177 11.316 381 HG21 ILE 52 1HG2 ILE 52 -1.749 -2.988 12.193 382 HG22 ILE 52 2HG2 ILE 52 -2.182 -4.229 11.018 383 HG23 ILE 52 3HG2 ILE 52 -1.140 -2.889 10.541 384 HD11 ILE 52 1HD1 ILE 52 -4.982 -4.855 12.006 385 HD12 ILE 52 2HD1 ILE 52 -5.834 -4.193 10.611 386 HD13 ILE 52 3HD1 ILE 52 -4.148 -4.686 10.462 387 H ASP 53 H ASP 53 -0.772 0.058 11.866 388 HA ASP 53 HA ASP 53 0.205 0.896 9.254 389 HB2 ASP 53 1HB ASP 53 1.901 2.108 10.438 390 HB3 ASP 53 2HB ASP 53 0.377 2.374 11.281 391 H GLY 54 H GLY 54 1.614 -0.227 8.077 392 HA2 GLY 54 1HA GLY 54 3.660 -1.855 9.249 393 HA3 GLY 54 2HA GLY 54 2.367 -2.822 8.555 394 H LEU 55 H LEU 55 3.605 -3.712 6.927 395 HA LEU 55 HA LEU 55 4.696 -1.834 4.942 396 HB2 LEU 55 1HB LEU 55 5.375 -4.699 5.562 397 HB3 LEU 55 2HB LEU 55 5.952 -3.864 4.121 398 HG LEU 55 HG LEU 55 6.550 -2.998 6.948 399 HD11 LEU 55 1HD1 LEU 55 7.586 -5.195 5.549 400 HD12 LEU 55 2HD1 LEU 55 8.207 -4.467 7.030 401 HD13 LEU 55 3HD1 LEU 55 8.817 -3.935 5.464 402 HD21 LEU 55 1HD2 LEU 55 7.798 -2.163 4.334 403 HD22 LEU 55 2HD2 LEU 55 8.166 -1.531 5.939 404 HD23 LEU 55 3HD2 LEU 55 6.588 -1.227 5.211 405 H ILE 56 H ILE 56 4.321 -2.219 2.717 406 HA ILE 56 HA ILE 56 2.150 -4.095 2.092 407 HB ILE 56 HB ILE 56 2.258 -1.211 1.203 408 HG12 ILE 56 1HG1 ILE 56 0.063 -2.567 2.757 409 HG13 ILE 56 2HG1 ILE 56 1.431 -1.809 3.564 410 HG21 ILE 56 1HG2 ILE 56 -0.185 -2.565 0.564 411 HG22 ILE 56 2HG2 ILE 56 0.940 -1.729 -0.505 412 HG23 ILE 56 3HG2 ILE 56 1.184 -3.435 -0.129 413 HD11 ILE 56 1HD1 ILE 56 0.238 -0.049 1.610 414 HD12 ILE 56 2HD1 ILE 56 -0.931 -0.593 2.814 415 HD13 ILE 56 3HD1 ILE 56 0.553 0.210 3.326 416 HA PRO 57 HA PRO 57 5.011 -5.163 -1.131 417 HB2 PRO 57 1HB PRO 57 3.392 -6.934 -2.401 418 HB3 PRO 57 2HB PRO 57 4.229 -7.310 -0.890 419 HG2 PRO 57 1HG PRO 57 1.390 -6.465 -1.324 420 HG3 PRO 57 2HG PRO 57 2.031 -7.722 -0.250 421 HD2 PRO 57 1HD PRO 57 1.318 -5.267 0.644 422 HD3 PRO 57 2HD PRO 57 2.639 -6.202 1.373 423 H HIS 58 H HIS 58 5.425 -4.281 -3.067 424 HA HIS 58 HA HIS 58 3.463 -2.570 -4.293 425 HB2 HIS 58 1HB HIS 58 5.862 -1.948 -4.147 426 HB3 HIS 58 2HB HIS 58 6.249 -3.274 -5.240 427 HD2 HIS 58 2HD HIS 58 5.442 -2.865 -7.933 428 HE1 HIS 58 1HE HIS 58 4.642 1.270 -7.418 429 HE2 HIS 58 2HE HIS 58 4.864 -0.616 -9.073 430 H GLN 59 H GLN 59 4.184 -5.825 -4.527 431 HA GLN 59 HA GLN 59 3.594 -6.103 -7.350 432 HB2 GLN 59 1HB GLN 59 4.145 -8.090 -5.150 433 HB3 GLN 59 2HB GLN 59 3.692 -8.580 -6.777 434 HG2 GLN 59 1HG GLN 59 6.061 -6.830 -6.182 435 HG3 GLN 59 2HG GLN 59 6.149 -8.588 -6.275 436 HE21 GLN 59 1HE2 GLN 59 7.147 -6.195 -7.931 437 HE22 GLN 59 2HE2 GLN 59 6.776 -6.658 -9.554 438 H TYR 60 H TYR 60 1.956 -6.401 -4.284 439 HA TYR 60 HA TYR 60 -0.457 -7.380 -5.645 440 HB2 TYR 60 1HB TYR 60 0.196 -7.288 -2.692 441 HB3 TYR 60 2HB TYR 60 -1.283 -7.939 -3.390 442 HD1 TYR 60 2HD TYR 60 2.419 -8.350 -3.749 443 HD2 TYR 60 1HD TYR 60 -1.401 -10.224 -3.664 444 HE1 TYR 60 2HE TYR 60 3.499 -10.549 -3.971 445 HE2 TYR 60 1HE TYR 60 -0.331 -12.427 -3.885 446 HH TYR 60 HH TYR 60 3.194 -12.764 -3.913 447 H ILE 61 H ILE 61 0.490 -4.625 -5.797 448 HA ILE 61 HA ILE 61 -1.986 -3.327 -5.110 449 HB ILE 61 HB ILE 61 -1.036 -1.552 -3.752 450 HG12 ILE 61 1HG1 ILE 61 1.358 -2.203 -2.791 451 HG13 ILE 61 2HG1 ILE 61 1.506 -2.990 -4.358 452 HG21 ILE 61 1HG2 ILE 61 -1.939 -3.591 -2.673 453 HG22 ILE 61 2HG2 ILE 61 -0.301 -4.237 -2.597 454 HG23 ILE 61 3HG2 ILE 61 -0.714 -2.774 -1.702 455 HD11 ILE 61 1HD1 ILE 61 0.618 -0.606 -5.161 456 HD12 ILE 61 2HD1 ILE 61 1.432 -0.126 -3.672 457 HD13 ILE 61 3HD1 ILE 61 2.327 -0.974 -4.932 458 H VAL 62 H VAL 62 -2.212 -1.246 -6.082 459 HA VAL 62 HA VAL 62 -0.210 -0.706 -8.179 460 HB VAL 62 HB VAL 62 -3.181 -0.181 -8.344 461 HG11 VAL 62 1HG1 VAL 62 -1.843 -0.241 -10.863 462 HG12 VAL 62 2HG1 VAL 62 -2.725 1.088 -10.107 463 HG13 VAL 62 3HG1 VAL 62 -1.001 0.881 -9.794 464 HG21 VAL 62 1HG2 VAL 62 -3.269 -2.026 -9.922 465 HG22 VAL 62 2HG2 VAL 62 -1.544 -2.322 -9.703 466 HG23 VAL 62 3HG2 VAL 62 -2.661 -2.584 -8.363 467 H VAL 63 H VAL 63 0.937 0.978 -7.428 468 HA VAL 63 HA VAL 63 -0.131 3.035 -5.785 469 HB VAL 63 HB VAL 63 2.430 2.997 -7.389 470 HG11 VAL 63 1HG1 VAL 63 1.439 4.851 -5.234 471 HG12 VAL 63 2HG1 VAL 63 3.137 4.728 -5.700 472 HG13 VAL 63 3HG1 VAL 63 1.935 5.261 -6.876 473 HG21 VAL 63 1HG2 VAL 63 3.508 2.326 -5.336 474 HG22 VAL 63 2HG2 VAL 63 1.976 2.402 -4.466 475 HG23 VAL 63 3HG2 VAL 63 2.220 1.184 -5.717 476 H GLN 64 H GLN 64 -1.706 4.298 -6.584 477 HA GLN 64 HA GLN 64 -1.897 5.073 -9.310 478 HB2 GLN 64 1HB GLN 64 -3.251 6.243 -6.873 479 HB3 GLN 64 2HB GLN 64 -3.710 6.552 -8.542 480 HG2 GLN 64 1HG GLN 64 -3.617 3.734 -7.615 481 HG3 GLN 64 2HG GLN 64 -4.946 4.755 -7.066 482 HE21 GLN 64 1HE2 GLN 64 -5.826 2.779 -8.426 483 HE22 GLN 64 2HE2 GLN 64 -6.208 3.176 -10.063 484 H ASP 65 H ASP 65 -0.955 6.695 -10.359 485 HA ASP 65 HA ASP 65 0.319 8.828 -8.772 486 HB2 ASP 65 1HB ASP 65 1.971 7.331 -9.831 487 HB3 ASP 65 2HB ASP 65 1.263 7.677 -11.406 488 H THR 66 H THR 66 0.440 10.924 -9.771 489 HA THR 66 HA THR 66 -1.543 11.355 -11.904 490 HB THR 66 HB THR 66 -1.203 13.078 -9.441 491 HG1 THR 66 1HG THR 66 -3.370 12.344 -9.031 492 HG21 THR 66 1HG2 THR 66 -2.674 13.437 -12.005 493 HG22 THR 66 2HG2 THR 66 -1.853 14.629 -10.998 494 HG23 THR 66 3HG2 THR 66 -3.433 14.009 -10.520 495 H SER 67 H SER 67 -0.924 12.684 -13.509 496 HA SER 67 HA SER 67 1.545 14.246 -13.125 497 HB2 SER 67 1HB SER 67 2.330 13.646 -15.278 498 HB3 SER 67 2HB SER 67 1.760 12.138 -14.565 499 HG SER 67 HG SER 67 -0.205 12.451 -15.733 500 H GLY 68 H GLY 68 1.643 16.266 -14.078 501 HA2 GLY 68 1HA GLY 68 -0.634 17.173 -15.671 502 HA3 GLY 68 2HA GLY 68 -0.361 17.981 -14.134 503 HA PRO 69 HA PRO 69 2.154 19.917 -17.645 504 HB2 PRO 69 1HB PRO 69 0.828 22.284 -17.752 505 HB3 PRO 69 2HB PRO 69 0.373 20.882 -18.728 506 HG2 PRO 69 1HG PRO 69 -0.817 21.874 -16.166 507 HG3 PRO 69 2HG PRO 69 -1.634 21.276 -17.622 508 HD2 PRO 69 1HD PRO 69 -1.281 19.745 -15.416 509 HD3 PRO 69 2HD PRO 69 -1.296 19.067 -17.057 510 H SER 70 H SER 70 1.522 20.260 -14.422 511 HA SER 70 HA SER 70 2.292 22.644 -13.476 512 HB2 SER 70 1HB SER 70 3.466 21.470 -11.623 513 HB3 SER 70 2HB SER 70 1.896 20.758 -11.993 514 HG SER 70 HG SER 70 2.856 19.020 -12.829 515 H SER 71 H SER 71 3.942 24.009 -13.669 516 HA SER 71 HA SER 71 5.895 23.978 -15.499 517 HB2 SER 71 1HB SER 71 5.978 25.111 -12.706 518 HB3 SER 71 2HB SER 71 7.285 25.380 -13.859 519 HG SER 71 HG SER 71 5.481 26.119 -15.295 520 H GLY 72 H GLY 72 7.641 22.816 -15.976 521 HA2 GLY 72 1HA GLY 72 9.484 21.819 -14.088 522 HA3 GLY 72 2HA GLY 72 8.387 20.526 -14.552 Start of MODEL 12 1 H1 GLY 1 H GLY 1 8.143 13.285 14.130 2 HA2 GLY 1 1HA GLY 1 9.774 15.155 13.703 3 HA3 GLY 1 2HA GLY 1 9.208 14.374 12.235 4 H SER 2 H SER 2 9.194 17.250 14.133 5 HA SER 2 HA SER 2 7.134 18.589 12.650 6 HB2 SER 2 1HB SER 2 9.198 19.540 14.637 7 HB3 SER 2 2HB SER 2 8.068 20.638 13.845 8 HG SER 2 HG SER 2 6.466 18.931 14.683 9 H SER 3 H SER 3 10.679 18.902 12.804 10 HA SER 3 HA SER 3 11.087 20.865 10.941 11 HB2 SER 3 1HB SER 3 12.770 19.404 12.356 12 HB3 SER 3 2HB SER 3 12.883 18.471 10.863 13 HG SER 3 HG SER 3 13.980 20.035 9.980 14 H GLY 4 H GLY 4 10.251 21.064 8.974 15 HA2 GLY 4 1HA GLY 4 10.049 20.564 6.704 16 HA3 GLY 4 2HA GLY 4 10.644 18.943 7.033 17 H SER 5 H SER 5 8.898 18.360 5.516 18 HA SER 5 HA SER 5 6.577 17.512 6.980 19 HB2 SER 5 1HB SER 5 6.265 19.519 4.735 20 HB3 SER 5 2HB SER 5 4.940 18.584 5.427 21 HG SER 5 HG SER 5 6.363 20.724 6.493 22 H SER 6 H SER 6 5.186 16.091 5.698 23 HA SER 6 HA SER 6 6.734 14.761 3.583 24 HB2 SER 6 1HB SER 6 5.263 12.788 4.087 25 HB3 SER 6 2HB SER 6 6.278 13.293 5.438 26 HG SER 6 HG SER 6 3.578 14.092 5.092 27 H GLY 7 H GLY 7 5.358 13.622 1.905 28 HA2 GLY 7 1HA GLY 7 3.472 15.578 0.839 29 HA3 GLY 7 2HA GLY 7 4.181 14.229 -0.037 30 H GLU 8 H GLU 8 1.340 15.243 0.476 31 HA GLU 8 HA GLU 8 -0.253 13.758 2.025 32 HB2 GLU 8 1HB GLU 8 -2.000 14.013 0.463 33 HB3 GLU 8 2HB GLU 8 -0.929 15.377 0.178 34 HG2 GLU 8 1HG GLU 8 -0.101 14.464 -1.806 35 HG3 GLU 8 2HG GLU 8 -0.713 12.856 -1.424 36 HA PRO 9 HA PRO 9 0.253 9.469 1.236 37 HB2 PRO 9 1HB PRO 9 -2.249 8.555 1.764 38 HB3 PRO 9 2HB PRO 9 -1.140 9.105 3.027 39 HG2 PRO 9 1HG PRO 9 -3.407 10.567 1.728 40 HG3 PRO 9 2HG PRO 9 -2.951 10.503 3.441 41 HD2 PRO 9 1HD PRO 9 -2.324 12.598 1.844 42 HD3 PRO 9 2HD PRO 9 -1.286 12.076 3.187 43 H ILE 10 H ILE 10 -0.173 7.826 -0.265 44 HA ILE 10 HA ILE 10 -1.663 8.715 -2.639 45 HB ILE 10 HB ILE 10 0.453 6.567 -2.472 46 HG12 ILE 10 1HG1 ILE 10 0.766 9.293 -3.717 47 HG13 ILE 10 2HG1 ILE 10 1.173 8.993 -2.031 48 HG21 ILE 10 1HG2 ILE 10 0.308 7.403 -5.070 49 HG22 ILE 10 2HG2 ILE 10 -0.470 5.962 -4.419 50 HG23 ILE 10 3HG2 ILE 10 -1.380 7.465 -4.562 51 HD11 ILE 10 1HD1 ILE 10 3.086 8.899 -3.636 52 HD12 ILE 10 2HD1 ILE 10 2.880 7.463 -2.633 53 HD13 ILE 10 3HD1 ILE 10 2.356 7.445 -4.317 54 H GLU 11 H GLU 11 -3.569 7.803 -2.977 55 HA GLU 11 HA GLU 11 -4.406 5.478 -1.520 56 HB2 GLU 11 1HB GLU 11 -5.676 7.365 -3.450 57 HB3 GLU 11 2HB GLU 11 -6.432 5.798 -3.201 58 HG2 GLU 11 1HG GLU 11 -6.990 6.254 -1.025 59 HG3 GLU 11 2HG GLU 11 -5.700 7.440 -0.829 60 H ALA 12 H ALA 12 -3.608 3.556 -2.090 61 HA ALA 12 HA ALA 12 -3.361 2.912 -4.948 62 HB1 ALA 12 1HB ALA 12 -2.238 1.101 -2.888 63 HB2 ALA 12 2HB ALA 12 -1.600 1.559 -4.468 64 HB3 ALA 12 3HB ALA 12 -1.460 2.669 -3.105 65 H ILE 13 H ILE 13 -3.803 0.578 -5.496 66 HA ILE 13 HA ILE 13 -6.138 -0.410 -3.993 67 HB ILE 13 HB ILE 13 -5.751 -0.520 -6.987 68 HG12 ILE 13 1HG1 ILE 13 -6.299 1.739 -6.189 69 HG13 ILE 13 2HG1 ILE 13 -7.643 1.039 -7.086 70 HG21 ILE 13 1HG2 ILE 13 -7.297 -2.136 -5.268 71 HG22 ILE 13 2HG2 ILE 13 -8.414 -1.074 -6.124 72 HG23 ILE 13 3HG2 ILE 13 -7.305 -2.103 -7.031 73 HD11 ILE 13 1HD1 ILE 13 -8.770 1.909 -5.322 74 HD12 ILE 13 2HD1 ILE 13 -8.403 0.315 -4.662 75 HD13 ILE 13 3HD1 ILE 13 -7.416 1.706 -4.210 76 H ALA 14 H ALA 14 -6.275 -2.581 -3.626 77 HA ALA 14 HA ALA 14 -3.855 -4.102 -3.871 78 HB1 ALA 14 1HB ALA 14 -5.068 -5.849 -2.683 79 HB2 ALA 14 2HB ALA 14 -5.284 -4.286 -1.893 80 HB3 ALA 14 3HB ALA 14 -6.576 -4.957 -2.889 81 H LYS 15 H LYS 15 -3.270 -5.183 -5.624 82 HA LYS 15 HA LYS 15 -5.076 -5.704 -7.777 83 HB2 LYS 15 1HB LYS 15 -2.182 -6.102 -7.251 84 HB3 LYS 15 2HB LYS 15 -2.914 -7.145 -8.463 85 HG2 LYS 15 1HG LYS 15 -3.860 -4.885 -9.390 86 HG3 LYS 15 2HG LYS 15 -2.505 -4.197 -8.492 87 HD2 LYS 15 1HD LYS 15 -2.128 -6.495 -10.388 88 HD3 LYS 15 2HD LYS 15 -2.129 -4.823 -10.954 89 HE2 LYS 15 1HE LYS 15 -0.344 -4.358 -9.244 90 HE3 LYS 15 2HE LYS 15 -0.257 -6.096 -8.966 91 HZ1 LYS 15 1HZ LYS 15 -0.104 -5.657 -11.719 92 HZ2 LYS 15 2HZ LYS 15 1.098 -6.255 -10.690 93 HZ3 LYS 15 3HZ LYS 15 0.984 -4.593 -10.980 94 H PHE 16 H PHE 16 -3.575 -7.648 -5.247 95 HA PHE 16 HA PHE 16 -5.545 -9.739 -5.739 96 HB2 PHE 16 1HB PHE 16 -2.712 -10.610 -5.326 97 HB3 PHE 16 2HB PHE 16 -4.048 -11.480 -6.070 98 HD1 PHE 16 2HD PHE 16 -4.637 -11.111 -8.390 99 HD2 PHE 16 1HD PHE 16 -1.389 -9.035 -6.585 100 HE1 PHE 16 2HE PHE 16 -3.822 -10.456 -10.617 101 HE2 PHE 16 1HE PHE 16 -0.569 -8.377 -8.809 102 HZ PHE 16 HZ PHE 16 -1.786 -9.088 -10.829 103 H ASP 17 H ASP 17 -6.226 -10.741 -3.913 104 HA ASP 17 HA ASP 17 -5.997 -9.613 -1.445 105 HB2 ASP 17 1HB ASP 17 -6.515 -12.023 -0.585 106 HB3 ASP 17 2HB ASP 17 -7.688 -11.198 -1.608 107 H TYR 18 H TYR 18 -4.244 -9.182 -0.288 108 HA TYR 18 HA TYR 18 -2.093 -11.194 -0.192 109 HB2 TYR 18 1HB TYR 18 -1.484 -9.006 -1.238 110 HB3 TYR 18 2HB TYR 18 -1.836 -8.221 0.297 111 HD1 TYR 18 2HD TYR 18 -0.370 -8.555 2.229 112 HD2 TYR 18 1HD TYR 18 0.519 -10.320 -1.539 113 HE1 TYR 18 2HE TYR 18 1.931 -8.987 2.981 114 HE2 TYR 18 1HE TYR 18 2.822 -10.759 -0.797 115 HH TYR 18 HH TYR 18 3.871 -11.048 1.871 116 H VAL 19 H VAL 19 -1.243 -11.788 1.773 117 HA VAL 19 HA VAL 19 -2.580 -10.702 4.165 118 HB VAL 19 HB VAL 19 -3.481 -12.903 3.767 119 HG11 VAL 19 1HG1 VAL 19 -2.274 -14.796 3.267 120 HG12 VAL 19 2HG1 VAL 19 -1.312 -13.559 2.455 121 HG13 VAL 19 3HG1 VAL 19 -0.801 -14.188 4.022 122 HG21 VAL 19 1HG2 VAL 19 -3.461 -13.031 5.990 123 HG22 VAL 19 2HG2 VAL 19 -1.989 -13.992 5.851 124 HG23 VAL 19 3HG2 VAL 19 -1.884 -12.248 6.085 125 H GLY 20 H GLY 20 -1.241 -9.889 5.638 126 HA2 GLY 20 1HA GLY 20 1.572 -9.911 5.282 127 HA3 GLY 20 2HA GLY 20 0.715 -9.296 6.687 128 H ARG 21 H ARG 21 2.635 -11.809 5.430 129 HA ARG 21 HA ARG 21 2.000 -13.958 7.080 130 HB2 ARG 21 1HB ARG 21 4.513 -13.074 5.708 131 HB3 ARG 21 2HB ARG 21 4.558 -14.446 6.808 132 HG2 ARG 21 1HG ARG 21 2.954 -15.638 5.477 133 HG3 ARG 21 2HG ARG 21 2.720 -14.233 4.435 134 HD2 ARG 21 1HD ARG 21 5.055 -14.380 3.718 135 HD3 ARG 21 2HD ARG 21 5.289 -15.779 4.765 136 HE ARG 21 HE ARG 21 4.350 -17.072 3.142 137 HH11 ARG 21 2HH1 ARG 21 3.356 -13.773 2.641 138 HH12 ARG 21 1HH1 ARG 21 2.531 -14.110 1.156 139 HH21 ARG 21 2HH2 ARG 21 3.267 -17.528 1.187 140 HH22 ARG 21 1HH2 ARG 21 2.480 -16.246 0.330 141 H THR 22 H THR 22 3.985 -11.120 7.695 142 HA THR 22 HA THR 22 4.385 -12.046 10.463 143 HB THR 22 HB THR 22 6.282 -10.507 10.597 144 HG1 THR 22 1HG THR 22 5.316 -9.738 8.087 145 HG21 THR 22 1HG2 THR 22 7.776 -11.631 8.941 146 HG22 THR 22 2HG2 THR 22 6.344 -12.377 8.229 147 HG23 THR 22 3HG2 THR 22 6.796 -12.746 9.893 148 H ALA 23 H ALA 23 4.660 -10.103 12.016 149 HA ALA 23 HA ALA 23 2.205 -8.762 12.190 150 HB1 ALA 23 1HB ALA 23 4.116 -9.274 13.961 151 HB2 ALA 23 2HB ALA 23 4.552 -7.606 13.586 152 HB3 ALA 23 3HB ALA 23 2.940 -7.980 14.195 153 H ARG 24 H ARG 24 5.392 -7.633 11.117 154 HA ARG 24 HA ARG 24 4.774 -4.941 10.746 155 HB2 ARG 24 1HB ARG 24 6.757 -6.780 9.434 156 HB3 ARG 24 2HB ARG 24 6.611 -5.101 8.932 157 HG2 ARG 24 1HG ARG 24 7.079 -5.878 11.792 158 HG3 ARG 24 2HG ARG 24 8.400 -5.647 10.644 159 HD2 ARG 24 1HD ARG 24 7.761 -3.365 10.276 160 HD3 ARG 24 2HD ARG 24 6.294 -3.574 11.232 161 HE ARG 24 HE ARG 24 7.534 -3.295 13.139 162 HH11 ARG 24 2HH1 ARG 24 9.670 -3.866 10.450 163 HH12 ARG 24 1HH1 ARG 24 11.107 -3.502 11.346 164 HH21 ARG 24 2HH2 ARG 24 9.419 -2.813 14.330 165 HH22 ARG 24 1HH2 ARG 24 10.963 -2.904 13.553 166 H GLU 25 H GLU 25 4.612 -7.619 8.405 167 HA GLU 25 HA GLU 25 3.622 -6.079 6.263 168 HB2 GLU 25 1HB GLU 25 3.515 -9.027 6.876 169 HB3 GLU 25 2HB GLU 25 2.817 -8.353 5.410 170 HG2 GLU 25 1HG GLU 25 4.947 -7.575 4.668 171 HG3 GLU 25 2HG GLU 25 5.694 -7.999 6.207 172 H LEU 26 H LEU 26 1.586 -5.583 5.591 173 HA LEU 26 HA LEU 26 -0.532 -5.883 7.569 174 HB2 LEU 26 1HB LEU 26 -0.558 -4.343 4.980 175 HB3 LEU 26 2HB LEU 26 -1.730 -4.227 6.291 176 HG LEU 26 HG LEU 26 1.166 -3.412 6.507 177 HD11 LEU 26 1HD1 LEU 26 -0.465 -2.096 4.943 178 HD12 LEU 26 2HD1 LEU 26 0.591 -1.235 6.062 179 HD13 LEU 26 3HD1 LEU 26 -1.107 -1.484 6.467 180 HD21 LEU 26 1HD2 LEU 26 0.535 -2.422 8.596 181 HD22 LEU 26 2HD2 LEU 26 0.032 -4.113 8.610 182 HD23 LEU 26 3HD2 LEU 26 -1.159 -2.840 8.338 183 H SER 27 H SER 27 -2.758 -6.365 6.775 184 HA SER 27 HA SER 27 -2.693 -8.405 4.648 185 HB2 SER 27 1HB SER 27 -3.039 -9.084 7.181 186 HB3 SER 27 2HB SER 27 -4.696 -8.568 6.864 187 HG SER 27 HG SER 27 -4.063 -10.870 6.440 188 H PHE 28 H PHE 28 -4.027 -8.072 2.999 189 HA PHE 28 HA PHE 28 -6.522 -6.622 3.393 190 HB2 PHE 28 1HB PHE 28 -6.008 -5.190 1.366 191 HB3 PHE 28 2HB PHE 28 -5.110 -4.791 2.827 192 HD1 PHE 28 1HD PHE 28 -4.897 -6.349 -0.496 193 HD2 PHE 28 2HD PHE 28 -2.745 -5.021 2.928 194 HE1 PHE 28 1HE PHE 28 -2.786 -6.573 -1.740 195 HE2 PHE 28 2HE PHE 28 -0.630 -5.243 1.689 196 HZ PHE 28 HZ PHE 28 -0.649 -6.018 -0.648 197 H LYS 29 H LYS 29 -7.926 -6.722 1.460 198 HA LYS 29 HA LYS 29 -7.447 -9.220 -0.025 199 HB2 LYS 29 1HB LYS 29 -10.004 -7.882 0.852 200 HB3 LYS 29 2HB LYS 29 -9.973 -9.183 -0.331 201 HG2 LYS 29 1HG LYS 29 -10.392 -10.356 1.582 202 HG3 LYS 29 2HG LYS 29 -8.629 -10.435 1.536 203 HD2 LYS 29 1HD LYS 29 -8.382 -8.944 3.270 204 HD3 LYS 29 2HD LYS 29 -9.934 -8.163 2.960 205 HE2 LYS 29 1HE LYS 29 -11.133 -9.857 4.023 206 HE3 LYS 29 2HE LYS 29 -9.800 -11.005 3.903 207 HZ1 LYS 29 1HZ LYS 29 -9.613 -8.553 5.548 208 HZ2 LYS 29 2HZ LYS 29 -8.644 -9.936 5.616 209 HZ3 LYS 29 3HZ LYS 29 -10.243 -9.997 6.164 210 H LYS 30 H LYS 30 -8.063 -9.322 -2.236 211 HA LYS 30 HA LYS 30 -7.206 -7.303 -3.864 212 HB2 LYS 30 1HB LYS 30 -7.640 -9.581 -4.653 213 HB3 LYS 30 2HB LYS 30 -9.371 -9.323 -4.483 214 HG2 LYS 30 1HG LYS 30 -9.473 -7.911 -6.312 215 HG3 LYS 30 2HG LYS 30 -7.749 -7.538 -6.248 216 HD2 LYS 30 1HD LYS 30 -7.215 -9.791 -6.994 217 HD3 LYS 30 2HD LYS 30 -8.929 -10.213 -7.000 218 HE2 LYS 30 1HE LYS 30 -9.161 -8.204 -8.620 219 HE3 LYS 30 2HE LYS 30 -7.421 -8.387 -8.833 220 HZ1 LYS 30 1HZ LYS 30 -9.281 -9.712 -10.246 221 HZ2 LYS 30 2HZ LYS 30 -8.916 -10.847 -9.046 222 HZ3 LYS 30 3HZ LYS 30 -7.687 -10.238 -10.036 223 H GLY 31 H GLY 31 -7.933 -5.366 -4.472 224 HA2 GLY 31 1HA GLY 31 -9.570 -3.825 -5.195 225 HA3 GLY 31 2HA GLY 31 -10.807 -4.826 -4.448 226 H ALA 32 H ALA 32 -9.273 -5.032 -1.930 227 HA ALA 32 HA ALA 32 -10.468 -3.031 -0.459 228 HB1 ALA 32 1HB ALA 32 -9.390 -5.145 0.397 229 HB2 ALA 32 2HB ALA 32 -7.848 -4.294 0.309 230 HB3 ALA 32 3HB ALA 32 -9.124 -3.699 1.371 231 H SER 33 H SER 33 -10.033 -0.959 0.022 232 HA SER 33 HA SER 33 -8.052 0.437 -1.487 233 HB2 SER 33 1HB SER 33 -10.320 1.344 -0.778 234 HB3 SER 33 2HB SER 33 -9.636 1.544 0.836 235 HG SER 33 HG SER 33 -8.748 2.760 -1.569 236 H LEU 34 H LEU 34 -6.035 0.973 -0.949 237 HA LEU 34 HA LEU 34 -5.221 0.705 1.869 238 HB2 LEU 34 1HB LEU 34 -3.515 0.010 -0.513 239 HB3 LEU 34 2HB LEU 34 -3.114 -0.220 1.187 240 HG LEU 34 HG LEU 34 -5.454 -1.639 -0.033 241 HD11 LEU 34 1HD1 LEU 34 -3.417 -3.481 -0.014 242 HD12 LEU 34 2HD1 LEU 34 -2.641 -2.037 -0.662 243 HD13 LEU 34 3HD1 LEU 34 -4.082 -2.688 -1.442 244 HD21 LEU 34 1HD2 LEU 34 -3.589 -2.601 2.107 245 HD22 LEU 34 2HD2 LEU 34 -5.252 -3.090 1.778 246 HD23 LEU 34 3HD2 LEU 34 -4.920 -1.505 2.479 247 H LEU 35 H LEU 35 -4.035 2.334 2.701 248 HA LEU 35 HA LEU 35 -3.514 4.624 0.956 249 HB2 LEU 35 1HB LEU 35 -4.745 4.583 3.306 250 HB3 LEU 35 2HB LEU 35 -3.092 4.745 3.895 251 HG LEU 35 HG LEU 35 -2.908 6.786 2.400 252 HD11 LEU 35 1HD1 LEU 35 -5.104 7.869 1.894 253 HD12 LEU 35 2HD1 LEU 35 -5.880 6.329 2.259 254 HD13 LEU 35 3HD1 LEU 35 -4.741 6.446 0.918 255 HD21 LEU 35 1HD2 LEU 35 -3.202 7.887 4.304 256 HD22 LEU 35 2HD2 LEU 35 -3.941 6.439 4.989 257 HD23 LEU 35 3HD2 LEU 35 -4.949 7.660 4.211 258 H LEU 36 H LEU 36 -1.512 5.518 0.675 259 HA LEU 36 HA LEU 36 0.755 4.026 1.825 260 HB2 LEU 36 1HB LEU 36 0.667 5.441 -0.834 261 HB3 LEU 36 2HB LEU 36 2.005 4.491 -0.192 262 HG LEU 36 HG LEU 36 -0.687 3.454 -1.075 263 HD11 LEU 36 1HD1 LEU 36 2.037 3.524 -2.271 264 HD12 LEU 36 2HD1 LEU 36 0.461 3.739 -3.033 265 HD13 LEU 36 3HD1 LEU 36 1.007 2.125 -2.579 266 HD21 LEU 36 1HD2 LEU 36 0.147 2.240 0.887 267 HD22 LEU 36 2HD2 LEU 36 1.671 1.945 0.049 268 HD23 LEU 36 3HD2 LEU 36 0.175 1.241 -0.566 269 H TYR 37 H TYR 37 2.353 5.153 2.796 270 HA TYR 37 HA TYR 37 2.029 8.075 2.913 271 HB2 TYR 37 1HB TYR 37 3.361 6.205 4.883 272 HB3 TYR 37 2HB TYR 37 3.239 7.952 5.062 273 HD1 TYR 37 1HD TYR 37 0.518 8.575 4.370 274 HD2 TYR 37 2HD TYR 37 2.028 5.203 6.482 275 HE1 TYR 37 1HE TYR 37 -1.655 8.311 5.491 276 HE2 TYR 37 2HE TYR 37 -0.142 4.930 7.607 277 HH TYR 37 HH TYR 37 -2.306 7.076 7.975 278 H GLN 38 H GLN 38 4.476 5.509 2.755 279 HA GLN 38 HA GLN 38 6.141 7.168 1.076 280 HB2 GLN 38 1HB GLN 38 8.152 6.769 2.591 281 HB3 GLN 38 2HB GLN 38 6.999 7.990 3.111 282 HG2 GLN 38 1HG GLN 38 5.950 5.999 4.443 283 HG3 GLN 38 2HG GLN 38 7.556 5.299 4.252 284 HE21 GLN 38 1HE2 GLN 38 9.342 7.013 4.716 285 HE22 GLN 38 2HE2 GLN 38 9.140 7.882 6.195 286 H ARG 39 H ARG 39 8.158 5.952 0.412 287 HA ARG 39 HA ARG 39 7.407 3.175 -0.092 288 HB2 ARG 39 1HB ARG 39 8.020 4.641 -1.997 289 HB3 ARG 39 2HB ARG 39 9.630 4.820 -1.312 290 HG2 ARG 39 1HG ARG 39 10.048 3.162 -2.802 291 HG3 ARG 39 2HG ARG 39 9.571 2.177 -1.417 292 HD2 ARG 39 1HD ARG 39 7.548 1.621 -2.336 293 HD3 ARG 39 2HD ARG 39 7.454 3.100 -3.290 294 HE ARG 39 HE ARG 39 8.707 0.611 -4.050 295 HH11 ARG 39 2HH1 ARG 39 8.442 4.030 -4.649 296 HH12 ARG 39 1HH1 ARG 39 9.012 3.921 -6.281 297 HH21 ARG 39 2HH2 ARG 39 9.459 0.454 -6.198 298 HH22 ARG 39 1HH2 ARG 39 9.589 1.886 -7.161 299 H ALA 40 H ALA 40 8.015 1.927 1.593 300 HA ALA 40 HA ALA 40 10.305 2.323 3.183 301 HB1 ALA 40 1HB ALA 40 9.671 -0.404 3.300 302 HB2 ALA 40 2HB ALA 40 9.158 0.869 4.408 303 HB3 ALA 40 3HB ALA 40 8.145 0.438 3.030 304 H SER 41 H SER 41 9.721 0.329 0.326 305 HA SER 41 HA SER 41 12.526 0.275 -0.283 306 HB2 SER 41 1HB SER 41 11.945 -1.657 1.428 307 HB3 SER 41 2HB SER 41 11.341 -2.459 -0.022 308 HG SER 41 HG SER 41 13.964 -1.598 0.564 309 H ASP 42 H ASP 42 12.964 -0.789 -2.358 310 HA ASP 42 HA ASP 42 11.261 -0.007 -4.375 311 HB2 ASP 42 1HB ASP 42 13.258 -2.280 -4.426 312 HB3 ASP 42 2HB ASP 42 12.544 -1.529 -5.850 313 H ASP 43 H ASP 43 11.259 -2.980 -2.537 314 HA ASP 43 HA ASP 43 8.926 -3.895 -4.088 315 HB2 ASP 43 1HB ASP 43 11.153 -5.400 -2.759 316 HB3 ASP 43 2HB ASP 43 9.583 -6.169 -2.973 317 H TRP 44 H TRP 44 8.940 -2.016 -1.847 318 HA TRP 44 HA TRP 44 6.875 -3.274 -0.285 319 HB2 TRP 44 1HB TRP 44 9.494 -2.478 0.994 320 HB3 TRP 44 2HB TRP 44 8.005 -2.711 1.905 321 HD1 TRP 44 HD TRP 44 10.987 -4.545 0.863 322 HE1 TRP 44 1HE TRP 44 10.655 -7.084 1.119 323 HE3 TRP 44 3HE TRP 44 5.912 -4.642 1.469 324 HZ2 TRP 44 2HZ TRP 44 8.524 -8.890 1.524 325 HZ3 TRP 44 3HZ TRP 44 4.804 -6.816 1.785 326 HH2 TRP 44 HH TRP 44 6.084 -8.895 1.811 327 H TRP 45 H TRP 45 5.975 -1.701 1.360 328 HA TRP 45 HA TRP 45 6.504 1.098 0.733 329 HB2 TRP 45 1HB TRP 45 3.906 -0.319 0.211 330 HB3 TRP 45 2HB TRP 45 3.929 1.402 0.585 331 HD1 TRP 45 HD TRP 45 5.191 -1.074 -2.086 332 HE1 TRP 45 1HE TRP 45 5.569 0.226 -4.275 333 HE3 TRP 45 3HE TRP 45 4.326 3.665 -0.374 334 HZ2 TRP 45 2HZ TRP 45 5.508 2.906 -5.159 335 HZ3 TRP 45 3HZ TRP 45 4.507 5.541 -1.955 336 HH2 TRP 45 HH TRP 45 5.086 5.168 -4.297 337 H GLU 46 H GLU 46 5.170 2.558 2.187 338 HA GLU 46 HA GLU 46 4.701 1.272 4.794 339 HB2 GLU 46 1HB GLU 46 6.081 3.918 4.305 340 HB3 GLU 46 2HB GLU 46 5.668 3.267 5.885 341 HG2 GLU 46 1HG GLU 46 7.086 1.215 4.995 342 HG3 GLU 46 2HG GLU 46 7.819 2.479 4.008 343 H GLY 47 H GLY 47 2.517 1.333 4.873 344 HA2 GLY 47 1HA GLY 47 1.284 3.999 4.868 345 HA3 GLY 47 2HA GLY 47 0.585 2.745 3.856 346 H ARG 48 H ARG 48 -1.377 2.680 4.921 347 HA ARG 48 HA ARG 48 -1.331 1.250 7.461 348 HB2 ARG 48 1HB ARG 48 -1.493 3.554 8.178 349 HB3 ARG 48 2HB ARG 48 -2.799 3.857 7.039 350 HG2 ARG 48 1HG ARG 48 -4.224 2.288 8.274 351 HG3 ARG 48 2HG ARG 48 -2.915 2.031 9.430 352 HD2 ARG 48 1HD ARG 48 -3.818 4.815 8.887 353 HD3 ARG 48 2HD ARG 48 -4.834 3.780 9.889 354 HE ARG 48 HE ARG 48 -3.231 3.846 11.552 355 HH11 ARG 48 2HH1 ARG 48 -2.016 5.317 8.641 356 HH12 ARG 48 1HH1 ARG 48 -0.628 6.008 9.414 357 HH21 ARG 48 2HH2 ARG 48 -1.407 4.749 12.581 358 HH22 ARG 48 1HH2 ARG 48 -0.282 5.683 11.655 359 H HIS 49 H HIS 49 -3.129 -0.041 7.816 360 HA HIS 49 HA HIS 49 -5.219 -0.024 5.755 361 HB2 HIS 49 1HB HIS 49 -3.790 -1.751 4.980 362 HB3 HIS 49 2HB HIS 49 -3.534 -2.375 6.606 363 HD1 HIS 49 1HD HIS 49 -5.535 -3.726 7.670 364 HD2 HIS 49 2HD HIS 49 -5.986 -2.764 3.653 365 HE1 HIS 49 1HE HIS 49 -7.400 -5.191 6.833 366 HE2 HIS 49 2HE HIS 49 -7.597 -4.652 4.380 367 H ASN 50 H ASN 50 -7.152 0.082 6.669 368 HA ASN 50 HA ASN 50 -8.763 0.122 8.292 369 HB2 ASN 50 1HB ASN 50 -8.656 -2.294 7.523 370 HB3 ASN 50 2HB ASN 50 -7.706 -2.625 8.969 371 HD21 ASN 50 1HD2 ASN 50 -8.738 -3.033 10.807 372 HD22 ASN 50 2HD2 ASN 50 -10.436 -2.843 11.063 373 H GLY 51 H GLY 51 -6.369 1.354 9.128 374 HA2 GLY 51 1HA GLY 51 -5.705 2.340 11.122 375 HA3 GLY 51 2HA GLY 51 -6.758 1.229 11.986 376 H ILE 52 H ILE 52 -4.417 0.041 9.706 377 HA ILE 52 HA ILE 52 -2.735 -0.868 11.949 378 HB ILE 52 HB ILE 52 -3.330 -2.443 9.442 379 HG12 ILE 52 1HG1 ILE 52 -5.270 -2.228 11.016 380 HG13 ILE 52 2HG1 ILE 52 -4.704 -3.880 10.797 381 HG21 ILE 52 1HG2 ILE 52 -1.767 -3.919 10.072 382 HG22 ILE 52 2HG2 ILE 52 -1.138 -2.600 11.058 383 HG23 ILE 52 3HG2 ILE 52 -2.208 -3.804 11.776 384 HD11 ILE 52 1HD1 ILE 52 -4.055 -4.078 12.941 385 HD12 ILE 52 2HD1 ILE 52 -3.525 -2.399 13.052 386 HD13 ILE 52 3HD1 ILE 52 -5.239 -2.794 13.182 387 H ASP 53 H ASP 53 -0.785 0.006 11.831 388 HA ASP 53 HA ASP 53 0.240 0.961 9.278 389 HB2 ASP 53 1HB ASP 53 1.825 2.209 10.522 390 HB3 ASP 53 2HB ASP 53 0.322 2.317 11.434 391 H GLY 54 H GLY 54 1.720 -0.076 8.104 392 HA2 GLY 54 1HA GLY 54 3.803 -1.658 9.209 393 HA3 GLY 54 2HA GLY 54 2.518 -2.688 8.594 394 H LEU 55 H LEU 55 3.966 -3.544 7.038 395 HA LEU 55 HA LEU 55 4.898 -1.700 4.966 396 HB2 LEU 55 1HB LEU 55 5.531 -4.551 5.647 397 HB3 LEU 55 2HB LEU 55 5.987 -3.856 4.092 398 HG LEU 55 HG LEU 55 6.887 -2.804 6.773 399 HD11 LEU 55 1HD1 LEU 55 7.843 -5.008 5.151 400 HD12 LEU 55 2HD1 LEU 55 8.289 -4.531 6.789 401 HD13 LEU 55 3HD1 LEU 55 9.081 -3.778 5.405 402 HD21 LEU 55 1HD2 LEU 55 8.474 -1.506 5.450 403 HD22 LEU 55 2HD2 LEU 55 6.812 -1.114 5.010 404 HD23 LEU 55 3HD2 LEU 55 7.779 -2.155 3.965 405 H ILE 56 H ILE 56 4.577 -2.254 2.702 406 HA ILE 56 HA ILE 56 2.256 -3.959 2.161 407 HB ILE 56 HB ILE 56 2.501 -1.052 1.428 408 HG12 ILE 56 1HG1 ILE 56 0.090 -2.542 2.449 409 HG13 ILE 56 2HG1 ILE 56 1.319 -1.921 3.546 410 HG21 ILE 56 1HG2 ILE 56 0.205 -1.940 0.199 411 HG22 ILE 56 2HG2 ILE 56 1.725 -1.550 -0.604 412 HG23 ILE 56 3HG2 ILE 56 1.369 -3.217 -0.152 413 HD11 ILE 56 1HD1 ILE 56 -0.837 -0.543 2.214 414 HD12 ILE 56 2HD1 ILE 56 0.171 -0.029 3.567 415 HD13 ILE 56 3HD1 ILE 56 0.719 0.229 1.911 416 HA PRO 57 HA PRO 57 4.960 -5.274 -1.096 417 HB2 PRO 57 1HB PRO 57 3.177 -6.880 -2.366 418 HB3 PRO 57 2HB PRO 57 3.977 -7.337 -0.857 419 HG2 PRO 57 1HG PRO 57 1.231 -6.223 -1.284 420 HG3 PRO 57 2HG PRO 57 1.751 -7.538 -0.213 421 HD2 PRO 57 1HD PRO 57 1.277 -5.028 0.685 422 HD3 PRO 57 2HD PRO 57 2.505 -6.086 1.410 423 H HIS 58 H HIS 58 5.436 -4.505 -3.076 424 HA HIS 58 HA HIS 58 3.576 -2.651 -4.312 425 HB2 HIS 58 1HB HIS 58 5.899 -1.960 -4.095 426 HB3 HIS 58 2HB HIS 58 6.432 -3.375 -4.998 427 HD2 HIS 58 2HD HIS 58 5.493 -3.314 -7.791 428 HE1 HIS 58 1HE HIS 58 5.330 0.926 -7.791 429 HE2 HIS 58 2HE HIS 58 5.241 -1.160 -9.201 430 H GLN 59 H GLN 59 4.202 -5.909 -4.531 431 HA GLN 59 HA GLN 59 3.673 -6.105 -7.393 432 HB2 GLN 59 1HB GLN 59 4.061 -8.371 -5.440 433 HB3 GLN 59 2HB GLN 59 4.190 -8.431 -7.193 434 HG2 GLN 59 1HG GLN 59 6.383 -8.488 -6.214 435 HG3 GLN 59 2HG GLN 59 6.159 -6.968 -7.080 436 HE21 GLN 59 1HE2 GLN 59 5.036 -7.940 -3.874 437 HE22 GLN 59 2HE2 GLN 59 5.875 -6.703 -3.009 438 H TYR 60 H TYR 60 2.013 -6.205 -4.414 439 HA TYR 60 HA TYR 60 -0.319 -7.468 -5.695 440 HB2 TYR 60 1HB TYR 60 0.381 -7.232 -2.762 441 HB3 TYR 60 2HB TYR 60 -1.122 -7.908 -3.380 442 HD1 TYR 60 2HD TYR 60 2.574 -8.352 -3.637 443 HD2 TYR 60 1HD TYR 60 -1.261 -10.190 -3.772 444 HE1 TYR 60 2HE TYR 60 3.644 -10.560 -3.808 445 HE2 TYR 60 1HE TYR 60 -0.201 -12.403 -3.942 446 HH TYR 60 HH TYR 60 3.198 -12.852 -3.473 447 H ILE 61 H ILE 61 0.628 -4.617 -5.771 448 HA ILE 61 HA ILE 61 -1.955 -3.419 -5.316 449 HB ILE 61 HB ILE 61 -1.214 -1.636 -3.858 450 HG12 ILE 61 1HG1 ILE 61 1.142 -2.188 -2.725 451 HG13 ILE 61 2HG1 ILE 61 1.446 -2.901 -4.306 452 HG21 ILE 61 1HG2 ILE 61 -0.388 -4.272 -2.654 453 HG22 ILE 61 2HG2 ILE 61 -1.011 -2.856 -1.808 454 HG23 ILE 61 3HG2 ILE 61 -2.062 -3.769 -2.890 455 HD11 ILE 61 1HD1 ILE 61 1.047 -0.803 -5.388 456 HD12 ILE 61 2HD1 ILE 61 0.541 -0.067 -3.867 457 HD13 ILE 61 3HD1 ILE 61 2.218 -0.564 -4.091 458 H VAL 62 H VAL 62 -2.093 -1.230 -6.174 459 HA VAL 62 HA VAL 62 0.029 -0.652 -8.138 460 HB VAL 62 HB VAL 62 -2.954 -0.332 -8.484 461 HG11 VAL 62 1HG1 VAL 62 -2.428 1.384 -9.815 462 HG12 VAL 62 2HG1 VAL 62 -0.709 0.986 -9.796 463 HG13 VAL 62 3HG1 VAL 62 -1.792 0.167 -10.922 464 HG21 VAL 62 1HG2 VAL 62 -1.367 -2.543 -8.899 465 HG22 VAL 62 2HG2 VAL 62 -2.939 -2.245 -9.641 466 HG23 VAL 62 3HG2 VAL 62 -1.462 -1.810 -10.500 467 H VAL 63 H VAL 63 1.081 1.080 -7.395 468 HA VAL 63 HA VAL 63 -0.150 3.082 -5.766 469 HB VAL 63 HB VAL 63 2.540 3.104 -7.144 470 HG11 VAL 63 1HG1 VAL 63 1.890 4.733 -4.733 471 HG12 VAL 63 2HG1 VAL 63 3.097 5.011 -5.990 472 HG13 VAL 63 3HG1 VAL 63 1.391 5.312 -6.322 473 HG21 VAL 63 1HG2 VAL 63 2.387 2.754 -4.236 474 HG22 VAL 63 2HG2 VAL 63 1.730 1.413 -5.174 475 HG23 VAL 63 3HG2 VAL 63 3.396 1.934 -5.427 476 H GLN 64 H GLN 64 -1.582 4.457 -6.602 477 HA GLN 64 HA GLN 64 -1.435 5.295 -9.364 478 HB2 GLN 64 1HB GLN 64 -3.334 6.191 -7.191 479 HB3 GLN 64 2HB GLN 64 -3.522 6.465 -8.918 480 HG2 GLN 64 1HG GLN 64 -3.264 3.667 -7.961 481 HG3 GLN 64 2HG GLN 64 -4.781 4.517 -7.672 482 HE21 GLN 64 1HE2 GLN 64 -4.253 2.225 -9.374 483 HE22 GLN 64 2HE2 GLN 64 -4.728 2.686 -10.970 484 H ASP 65 H ASP 65 -0.210 6.924 -10.012 485 HA ASP 65 HA ASP 65 1.052 8.731 -8.229 486 HB2 ASP 65 1HB ASP 65 1.942 8.004 -10.472 487 HB3 ASP 65 2HB ASP 65 0.743 9.058 -11.217 488 H THR 66 H THR 66 0.892 11.110 -8.383 489 HA THR 66 HA THR 66 -1.894 11.908 -8.229 490 HB THR 66 HB THR 66 -1.057 14.019 -7.319 491 HG1 THR 66 1HG THR 66 1.583 13.036 -7.389 492 HG21 THR 66 1HG2 THR 66 -0.495 13.185 -5.257 493 HG22 THR 66 2HG2 THR 66 0.612 11.984 -5.923 494 HG23 THR 66 3HG2 THR 66 -1.130 11.724 -6.011 495 H SER 67 H SER 67 -2.942 12.707 -9.917 496 HA SER 67 HA SER 67 -1.643 14.614 -11.678 497 HB2 SER 67 1HB SER 67 -2.713 11.960 -12.644 498 HB3 SER 67 2HB SER 67 -2.490 13.343 -13.715 499 HG SER 67 HG SER 67 -0.322 12.708 -12.123 500 H GLY 68 H GLY 68 -3.111 15.885 -12.891 501 HA2 GLY 68 1HA GLY 68 -5.555 16.422 -11.587 502 HA3 GLY 68 2HA GLY 68 -5.052 17.086 -13.134 503 HA PRO 69 HA PRO 69 -8.597 13.947 -13.537 504 HB2 PRO 69 1HB PRO 69 -10.592 15.704 -14.086 505 HB3 PRO 69 2HB PRO 69 -10.201 15.177 -12.445 506 HG2 PRO 69 1HG PRO 69 -9.422 17.696 -13.862 507 HG3 PRO 69 2HG PRO 69 -9.983 17.479 -12.194 508 HD2 PRO 69 1HD PRO 69 -7.368 17.791 -12.821 509 HD3 PRO 69 2HD PRO 69 -7.910 16.801 -11.451 510 H SER 70 H SER 70 -10.033 13.747 -15.514 511 HA SER 70 HA SER 70 -8.810 15.064 -17.847 512 HB2 SER 70 1HB SER 70 -8.841 12.993 -19.080 513 HB3 SER 70 2HB SER 70 -8.007 12.703 -17.554 514 HG SER 70 HG SER 70 -10.410 12.153 -16.951 515 H SER 71 H SER 71 -11.123 15.975 -16.605 516 HA SER 71 HA SER 71 -13.580 15.117 -17.267 517 HB2 SER 71 1HB SER 71 -14.326 17.421 -17.367 518 HB3 SER 71 2HB SER 71 -13.066 17.285 -16.141 519 HG SER 71 HG SER 71 -11.623 17.925 -17.993 520 H GLY 72 H GLY 72 -14.808 14.773 -19.031 521 HA2 GLY 72 1HA GLY 72 -13.860 15.794 -21.621 522 HA3 GLY 72 2HA GLY 72 -14.158 14.073 -21.434 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -4.914 16.627 14.525 2 HA2 GLY 1 1HA GLY 1 -3.722 18.585 15.265 3 HA3 GLY 1 2HA GLY 1 -3.472 17.793 16.814 4 H SER 2 H SER 2 -2.350 18.143 13.555 5 HA SER 2 HA SER 2 0.031 16.551 14.250 6 HB2 SER 2 1HB SER 2 -1.283 15.378 12.551 7 HB3 SER 2 2HB SER 2 -1.278 16.817 11.532 8 HG SER 2 HG SER 2 1.193 16.483 11.918 9 H SER 3 H SER 3 2.012 17.403 13.758 10 HA SER 3 HA SER 3 2.209 19.843 12.198 11 HB2 SER 3 1HB SER 3 1.679 20.635 14.490 12 HB3 SER 3 2HB SER 3 3.103 19.785 15.091 13 HG SER 3 HG SER 3 4.105 21.170 13.234 14 H GLY 4 H GLY 4 4.247 20.202 11.360 15 HA2 GLY 4 1HA GLY 4 6.495 19.818 10.935 16 HA3 GLY 4 2HA GLY 4 6.530 18.705 12.294 17 H SER 5 H SER 5 4.822 18.849 9.164 18 HA SER 5 HA SER 5 6.134 16.474 8.224 19 HB2 SER 5 1HB SER 5 3.269 16.368 9.154 20 HB3 SER 5 2HB SER 5 3.886 15.258 7.930 21 HG SER 5 HG SER 5 3.994 14.530 10.186 22 H SER 6 H SER 6 6.001 16.265 6.031 23 HA SER 6 HA SER 6 4.144 18.042 4.603 24 HB2 SER 6 1HB SER 6 6.355 19.129 4.682 25 HB3 SER 6 2HB SER 6 7.083 17.695 3.957 26 HG SER 6 HG SER 6 6.584 18.549 2.115 27 H GLY 7 H GLY 7 3.591 17.380 2.475 28 HA2 GLY 7 1HA GLY 7 3.628 15.862 0.650 29 HA3 GLY 7 2HA GLY 7 4.465 14.700 1.668 30 H GLU 8 H GLU 8 1.947 14.596 -0.009 31 HA GLU 8 HA GLU 8 0.030 13.839 2.085 32 HB2 GLU 8 1HB GLU 8 -0.311 14.515 -0.832 33 HB3 GLU 8 2HB GLU 8 -1.585 13.747 0.105 34 HG2 GLU 8 1HG GLU 8 -0.352 16.236 1.159 35 HG3 GLU 8 2HG GLU 8 -1.480 16.352 -0.190 36 HA PRO 9 HA PRO 9 0.495 9.548 1.287 37 HB2 PRO 9 1HB PRO 9 -2.029 8.658 1.745 38 HB3 PRO 9 2HB PRO 9 -0.949 9.192 3.038 39 HG2 PRO 9 1HG PRO 9 -3.166 10.682 1.686 40 HG3 PRO 9 2HG PRO 9 -2.757 10.607 3.410 41 HD2 PRO 9 1HD PRO 9 -2.066 12.701 1.838 42 HD3 PRO 9 2HD PRO 9 -1.070 12.164 3.206 43 H ILE 10 H ILE 10 0.088 7.912 -0.228 44 HA ILE 10 HA ILE 10 -1.327 8.826 -2.639 45 HB ILE 10 HB ILE 10 0.779 6.674 -2.405 46 HG12 ILE 10 1HG1 ILE 10 1.072 9.401 -3.664 47 HG13 ILE 10 2HG1 ILE 10 1.517 9.077 -1.993 48 HG21 ILE 10 1HG2 ILE 10 -0.565 6.146 -4.257 49 HG22 ILE 10 2HG2 ILE 10 -0.717 7.837 -4.734 50 HG23 ILE 10 3HG2 ILE 10 0.824 7.001 -4.929 51 HD11 ILE 10 1HD1 ILE 10 3.188 7.510 -2.682 52 HD12 ILE 10 2HD1 ILE 10 2.664 7.626 -4.363 53 HD13 ILE 10 3HD1 ILE 10 3.416 9.013 -3.575 54 H GLU 11 H GLU 11 -3.234 7.936 -3.029 55 HA GLU 11 HA GLU 11 -4.133 5.614 -1.605 56 HB2 GLU 11 1HB GLU 11 -5.347 7.467 -3.623 57 HB3 GLU 11 2HB GLU 11 -6.141 5.943 -3.250 58 HG2 GLU 11 1HG GLU 11 -6.717 6.591 -1.148 59 HG3 GLU 11 2HG GLU 11 -5.334 7.671 -0.981 60 H ALA 12 H ALA 12 -3.857 3.574 -2.189 61 HA ALA 12 HA ALA 12 -3.422 2.970 -5.042 62 HB1 ALA 12 1HB ALA 12 -1.692 1.547 -4.583 63 HB2 ALA 12 2HB ALA 12 -1.460 2.739 -3.303 64 HB3 ALA 12 3HB ALA 12 -2.258 1.207 -2.947 65 H ILE 13 H ILE 13 -3.755 0.505 -5.421 66 HA ILE 13 HA ILE 13 -6.108 -0.415 -3.913 67 HB ILE 13 HB ILE 13 -5.785 -0.511 -6.914 68 HG12 ILE 13 1HG1 ILE 13 -6.413 1.710 -6.046 69 HG13 ILE 13 2HG1 ILE 13 -7.727 0.976 -6.959 70 HG21 ILE 13 1HG2 ILE 13 -7.842 -1.689 -5.069 71 HG22 ILE 13 2HG2 ILE 13 -8.171 -1.383 -6.774 72 HG23 ILE 13 3HG2 ILE 13 -6.886 -2.498 -6.311 73 HD11 ILE 13 1HD1 ILE 13 -8.168 0.183 -4.337 74 HD12 ILE 13 2HD1 ILE 13 -7.659 1.868 -4.224 75 HD13 ILE 13 3HD1 ILE 13 -9.036 1.428 -5.236 76 H ALA 14 H ALA 14 -6.196 -2.563 -3.467 77 HA ALA 14 HA ALA 14 -3.822 -4.084 -3.594 78 HB1 ALA 14 1HB ALA 14 -5.135 -4.691 -1.814 79 HB2 ALA 14 2HB ALA 14 -6.628 -4.630 -2.752 80 HB3 ALA 14 3HB ALA 14 -5.513 -5.981 -2.955 81 H LYS 15 H LYS 15 -3.004 -5.236 -5.206 82 HA LYS 15 HA LYS 15 -4.461 -5.607 -7.650 83 HB2 LYS 15 1HB LYS 15 -1.687 -6.101 -6.703 84 HB3 LYS 15 2HB LYS 15 -2.247 -7.053 -8.072 85 HG2 LYS 15 1HG LYS 15 -2.997 -4.696 -8.974 86 HG3 LYS 15 2HG LYS 15 -1.743 -4.132 -7.867 87 HD2 LYS 15 1HD LYS 15 -0.607 -4.426 -9.883 88 HD3 LYS 15 2HD LYS 15 -0.252 -5.906 -8.988 89 HE2 LYS 15 1HE LYS 15 -2.131 -7.006 -10.199 90 HE3 LYS 15 2HE LYS 15 -2.304 -5.543 -11.169 91 HZ1 LYS 15 1HZ LYS 15 0.189 -7.146 -11.007 92 HZ2 LYS 15 2HZ LYS 15 -0.118 -5.847 -12.045 93 HZ3 LYS 15 3HZ LYS 15 -0.960 -7.302 -12.238 94 H PHE 16 H PHE 16 -3.411 -7.656 -4.984 95 HA PHE 16 HA PHE 16 -5.344 -9.667 -5.784 96 HB2 PHE 16 1HB PHE 16 -2.577 -10.660 -5.210 97 HB3 PHE 16 2HB PHE 16 -3.883 -11.448 -6.089 98 HD1 PHE 16 2HD PHE 16 -4.416 -10.730 -8.404 99 HD2 PHE 16 1HD PHE 16 -0.998 -9.292 -6.313 100 HE1 PHE 16 2HE PHE 16 -3.426 -9.998 -10.533 101 HE2 PHE 16 1HE PHE 16 -0.003 -8.556 -8.440 102 HZ PHE 16 HZ PHE 16 -1.216 -8.910 -10.554 103 H ASP 17 H ASP 17 -5.938 -11.078 -4.103 104 HA ASP 17 HA ASP 17 -6.002 -10.007 -1.546 105 HB2 ASP 17 1HB ASP 17 -6.570 -12.441 -0.868 106 HB3 ASP 17 2HB ASP 17 -7.643 -11.611 -1.992 107 H TYR 18 H TYR 18 -4.214 -9.519 -0.430 108 HA TYR 18 HA TYR 18 -2.109 -11.566 -0.206 109 HB2 TYR 18 1HB TYR 18 -1.479 -9.325 -1.175 110 HB3 TYR 18 2HB TYR 18 -1.842 -8.617 0.395 111 HD1 TYR 18 1HD TYR 18 0.458 -10.800 -1.461 112 HD2 TYR 18 2HD TYR 18 -0.357 -8.925 2.270 113 HE1 TYR 18 1HE TYR 18 2.744 -11.312 -0.712 114 HE2 TYR 18 2HE TYR 18 1.927 -9.431 3.030 115 HH TYR 18 HH TYR 18 4.321 -10.810 0.864 116 H VAL 19 H VAL 19 -1.088 -11.851 1.864 117 HA VAL 19 HA VAL 19 -2.667 -10.937 4.166 118 HB VAL 19 HB VAL 19 -3.429 -13.205 3.646 119 HG11 VAL 19 1HG1 VAL 19 -2.085 -14.942 3.164 120 HG12 VAL 19 2HG1 VAL 19 -0.891 -13.690 2.817 121 HG13 VAL 19 3HG1 VAL 19 -0.897 -14.494 4.387 122 HG21 VAL 19 1HG2 VAL 19 -1.812 -12.783 6.137 123 HG22 VAL 19 2HG2 VAL 19 -3.562 -12.722 5.928 124 HG23 VAL 19 3HG2 VAL 19 -2.721 -14.271 5.873 125 H GLY 20 H GLY 20 -1.344 -9.862 5.468 126 HA2 GLY 20 1HA GLY 20 1.418 -9.771 5.320 127 HA3 GLY 20 2HA GLY 20 0.489 -9.333 6.747 128 H ARG 21 H ARG 21 2.591 -11.621 5.322 129 HA ARG 21 HA ARG 21 2.132 -13.918 6.801 130 HB2 ARG 21 1HB ARG 21 4.543 -12.717 5.517 131 HB3 ARG 21 2HB ARG 21 4.769 -14.089 6.593 132 HG2 ARG 21 1HG ARG 21 3.194 -15.394 5.233 133 HG3 ARG 21 2HG ARG 21 3.032 -14.022 4.135 134 HD2 ARG 21 1HD ARG 21 5.607 -15.467 4.750 135 HD3 ARG 21 2HD ARG 21 4.620 -15.721 3.312 136 HE ARG 21 HE ARG 21 5.424 -12.987 3.711 137 HH11 ARG 21 2HH1 ARG 21 6.298 -16.069 2.347 138 HH12 ARG 21 1HH1 ARG 21 7.379 -15.391 1.175 139 HH21 ARG 21 2HH2 ARG 21 6.845 -12.082 2.173 140 HH22 ARG 21 1HH2 ARG 21 7.691 -13.123 1.078 141 H THR 22 H THR 22 3.880 -10.991 7.688 142 HA THR 22 HA THR 22 4.113 -12.042 10.433 143 HB THR 22 HB THR 22 6.093 -10.651 10.753 144 HG1 THR 22 1HG THR 22 6.089 -8.978 9.417 145 HG21 THR 22 1HG2 THR 22 6.249 -12.407 8.301 146 HG22 THR 22 2HG2 THR 22 6.469 -12.914 9.976 147 HG23 THR 22 3HG2 THR 22 7.639 -11.832 9.220 148 H ALA 23 H ALA 23 4.305 -10.215 12.078 149 HA ALA 23 HA ALA 23 1.967 -8.718 12.117 150 HB1 ALA 23 1HB ALA 23 3.638 -9.333 14.015 151 HB2 ALA 23 2HB ALA 23 4.374 -7.780 13.617 152 HB3 ALA 23 3HB ALA 23 2.688 -7.852 14.130 153 H ARG 24 H ARG 24 5.234 -7.763 11.140 154 HA ARG 24 HA ARG 24 4.816 -5.037 10.795 155 HB2 ARG 24 1HB ARG 24 6.676 -7.022 9.546 156 HB3 ARG 24 2HB ARG 24 6.610 -5.385 8.907 157 HG2 ARG 24 1HG ARG 24 6.935 -4.699 11.400 158 HG3 ARG 24 2HG ARG 24 7.548 -6.345 11.568 159 HD2 ARG 24 1HD ARG 24 9.003 -5.762 9.514 160 HD3 ARG 24 2HD ARG 24 8.618 -4.089 9.912 161 HE ARG 24 HE ARG 24 9.656 -5.669 12.101 162 HH11 ARG 24 2HH1 ARG 24 10.379 -3.506 9.470 163 HH12 ARG 24 1HH1 ARG 24 11.893 -2.992 10.137 164 HH21 ARG 24 2HH2 ARG 24 11.648 -5.000 12.989 165 HH22 ARG 24 1HH2 ARG 24 12.614 -3.843 12.138 166 H GLU 25 H GLU 25 4.439 -7.660 8.417 167 HA GLU 25 HA GLU 25 3.539 -5.990 6.320 168 HB2 GLU 25 1HB GLU 25 3.164 -8.952 6.785 169 HB3 GLU 25 2HB GLU 25 2.736 -8.125 5.294 170 HG2 GLU 25 1HG GLU 25 4.934 -7.754 4.708 171 HG3 GLU 25 2HG GLU 25 5.511 -7.912 6.366 172 H LEU 26 H LEU 26 1.341 -6.212 5.312 173 HA LEU 26 HA LEU 26 -0.746 -6.297 7.390 174 HB2 LEU 26 1HB LEU 26 -0.709 -4.502 4.971 175 HB3 LEU 26 2HB LEU 26 -1.899 -4.504 6.272 176 HG LEU 26 HG LEU 26 1.001 -3.730 6.581 177 HD11 LEU 26 1HD1 LEU 26 -1.051 -2.284 5.381 178 HD12 LEU 26 2HD1 LEU 26 0.485 -1.658 5.977 179 HD13 LEU 26 3HD1 LEU 26 -0.937 -1.641 7.019 180 HD21 LEU 26 1HD2 LEU 26 0.220 -4.529 8.658 181 HD22 LEU 26 2HD2 LEU 26 -1.349 -3.747 8.458 182 HD23 LEU 26 3HD2 LEU 26 0.094 -2.772 8.744 183 H SER 27 H SER 27 -2.609 -7.366 6.932 184 HA SER 27 HA SER 27 -2.630 -8.913 4.444 185 HB2 SER 27 1HB SER 27 -4.115 -10.440 5.553 186 HB3 SER 27 2HB SER 27 -2.808 -10.072 6.677 187 HG SER 27 HG SER 27 -4.835 -8.310 6.949 188 H PHE 28 H PHE 28 -3.920 -8.346 2.834 189 HA PHE 28 HA PHE 28 -6.460 -7.007 3.434 190 HB2 PHE 28 1HB PHE 28 -6.025 -5.543 1.392 191 HB3 PHE 28 2HB PHE 28 -5.100 -5.162 2.840 192 HD1 PHE 28 1HD PHE 28 -4.900 -6.968 -0.395 193 HD2 PHE 28 2HD PHE 28 -2.777 -5.074 2.771 194 HE1 PHE 28 1HE PHE 28 -2.814 -7.158 -1.685 195 HE2 PHE 28 2HE PHE 28 -0.688 -5.260 1.485 196 HZ PHE 28 HZ PHE 28 -0.704 -6.302 -0.746 197 H LYS 29 H LYS 29 -7.779 -6.830 1.297 198 HA LYS 29 HA LYS 29 -7.485 -9.366 -0.177 199 HB2 LYS 29 1HB LYS 29 -9.966 -7.999 0.852 200 HB3 LYS 29 2HB LYS 29 -10.028 -9.221 -0.411 201 HG2 LYS 29 1HG LYS 29 -8.657 -9.804 2.179 202 HG3 LYS 29 2HG LYS 29 -10.414 -9.908 2.051 203 HD2 LYS 29 1HD LYS 29 -8.646 -11.295 0.067 204 HD3 LYS 29 2HD LYS 29 -9.001 -12.033 1.631 205 HE2 LYS 29 1HE LYS 29 -11.376 -11.949 1.165 206 HE3 LYS 29 2HE LYS 29 -11.076 -11.104 -0.352 207 HZ1 LYS 29 1HZ LYS 29 -10.744 -13.025 -1.376 208 HZ2 LYS 29 2HZ LYS 29 -11.229 -13.829 0.030 209 HZ3 LYS 29 3HZ LYS 29 -9.590 -13.514 -0.240 210 H LYS 30 H LYS 30 -7.667 -9.315 -2.363 211 HA LYS 30 HA LYS 30 -6.989 -7.235 -3.899 212 HB2 LYS 30 1HB LYS 30 -7.323 -9.477 -4.802 213 HB3 LYS 30 2HB LYS 30 -9.065 -9.309 -4.627 214 HG2 LYS 30 1HG LYS 30 -9.178 -7.687 -6.340 215 HG3 LYS 30 2HG LYS 30 -7.424 -7.486 -6.361 216 HD2 LYS 30 1HD LYS 30 -7.228 -9.852 -7.113 217 HD3 LYS 30 2HD LYS 30 -8.988 -9.916 -7.228 218 HE2 LYS 30 1HE LYS 30 -7.346 -7.857 -8.679 219 HE3 LYS 30 2HE LYS 30 -7.710 -9.436 -9.373 220 HZ1 LYS 30 1HZ LYS 30 -10.138 -8.739 -8.724 221 HZ2 LYS 30 2HZ LYS 30 -9.443 -8.227 -10.178 222 HZ3 LYS 30 3HZ LYS 30 -9.498 -7.178 -8.853 223 H GLY 31 H GLY 31 -7.815 -5.371 -4.671 224 HA2 GLY 31 1HA GLY 31 -9.520 -3.892 -5.354 225 HA3 GLY 31 2HA GLY 31 -10.694 -4.894 -4.515 226 H ALA 32 H ALA 32 -9.318 -5.024 -2.018 227 HA ALA 32 HA ALA 32 -10.388 -2.880 -0.663 228 HB1 ALA 32 1HB ALA 32 -9.377 -3.703 1.225 229 HB2 ALA 32 2HB ALA 32 -9.310 -5.118 0.175 230 HB3 ALA 32 3HB ALA 32 -7.881 -4.106 0.383 231 H SER 33 H SER 33 -9.918 -0.790 -0.568 232 HA SER 33 HA SER 33 -7.656 0.304 -1.900 233 HB2 SER 33 1HB SER 33 -9.635 1.626 -1.884 234 HB3 SER 33 2HB SER 33 -9.782 1.515 -0.130 235 HG SER 33 HG SER 33 -8.377 3.281 -1.631 236 H LEU 34 H LEU 34 -5.753 1.057 -1.124 237 HA LEU 34 HA LEU 34 -5.304 0.920 1.780 238 HB2 LEU 34 1HB LEU 34 -3.303 0.073 -0.304 239 HB3 LEU 34 2HB LEU 34 -3.139 -0.055 1.446 240 HG LEU 34 HG LEU 34 -5.348 -1.526 0.076 241 HD11 LEU 34 1HD1 LEU 34 -2.707 -2.856 0.402 242 HD12 LEU 34 2HD1 LEU 34 -2.984 -1.856 -1.023 243 HD13 LEU 34 3HD1 LEU 34 -4.036 -3.232 -0.695 244 HD21 LEU 34 1HD2 LEU 34 -3.620 -2.093 2.484 245 HD22 LEU 34 2HD2 LEU 34 -4.949 -3.101 1.910 246 HD23 LEU 34 3HD2 LEU 34 -5.271 -1.473 2.508 247 H LEU 35 H LEU 35 -3.985 2.480 2.654 248 HA LEU 35 HA LEU 35 -3.394 4.744 0.896 249 HB2 LEU 35 1HB LEU 35 -4.683 4.763 3.206 250 HB3 LEU 35 2HB LEU 35 -3.045 4.881 3.846 251 HG LEU 35 HG LEU 35 -2.773 6.900 2.305 252 HD11 LEU 35 1HD1 LEU 35 -5.783 6.742 2.309 253 HD12 LEU 35 2HD1 LEU 35 -4.750 6.432 0.914 254 HD13 LEU 35 3HD1 LEU 35 -4.796 8.040 1.637 255 HD21 LEU 35 1HD2 LEU 35 -4.667 6.933 4.648 256 HD22 LEU 35 2HD2 LEU 35 -3.971 8.380 3.918 257 HD23 LEU 35 3HD2 LEU 35 -2.921 7.181 4.675 258 H LEU 36 H LEU 36 -1.371 5.586 0.632 259 HA LEU 36 HA LEU 36 0.844 4.087 1.869 260 HB2 LEU 36 1HB LEU 36 0.874 5.443 -0.820 261 HB3 LEU 36 2HB LEU 36 2.139 4.430 -0.126 262 HG LEU 36 HG LEU 36 -0.577 3.537 -1.087 263 HD11 LEU 36 1HD1 LEU 36 0.659 3.698 -3.002 264 HD12 LEU 36 2HD1 LEU 36 1.101 2.071 -2.486 265 HD13 LEU 36 3HD1 LEU 36 2.191 3.421 -2.171 266 HD21 LEU 36 1HD2 LEU 36 -0.117 2.202 0.802 267 HD22 LEU 36 2HD2 LEU 36 1.592 2.066 0.388 268 HD23 LEU 36 3HD2 LEU 36 0.378 1.243 -0.593 269 H TYR 37 H TYR 37 2.512 5.216 2.756 270 HA TYR 37 HA TYR 37 2.220 8.147 2.802 271 HB2 TYR 37 1HB TYR 37 3.459 6.322 4.873 272 HB3 TYR 37 2HB TYR 37 3.366 8.076 4.986 273 HD1 TYR 37 1HD TYR 37 0.664 8.697 4.169 274 HD2 TYR 37 2HD TYR 37 2.078 5.430 6.500 275 HE1 TYR 37 1HE TYR 37 -1.542 8.514 5.240 276 HE2 TYR 37 2HE TYR 37 -0.125 5.237 7.577 277 HH TYR 37 HH TYR 37 -2.202 6.007 7.671 278 H GLN 38 H GLN 38 4.612 5.523 2.813 279 HA GLN 38 HA GLN 38 6.355 7.073 1.111 280 HB2 GLN 38 1HB GLN 38 6.934 6.613 3.992 281 HB3 GLN 38 2HB GLN 38 8.271 6.442 2.862 282 HG2 GLN 38 1HG GLN 38 6.568 8.875 3.323 283 HG3 GLN 38 2HG GLN 38 8.277 8.669 3.702 284 HE21 GLN 38 1HE2 GLN 38 7.113 10.726 2.104 285 HE22 GLN 38 2HE2 GLN 38 7.777 10.582 0.516 286 H ARG 39 H ARG 39 7.953 5.824 0.084 287 HA ARG 39 HA ARG 39 7.295 3.027 -0.107 288 HB2 ARG 39 1HB ARG 39 7.828 4.290 -2.124 289 HB3 ARG 39 2HB ARG 39 9.423 4.670 -1.489 290 HG2 ARG 39 1HG ARG 39 9.968 2.937 -2.846 291 HG3 ARG 39 2HG ARG 39 9.608 2.036 -1.372 292 HD2 ARG 39 1HD ARG 39 7.544 1.318 -2.166 293 HD3 ARG 39 2HD ARG 39 7.457 2.597 -3.376 294 HE ARG 39 HE ARG 39 8.687 0.030 -3.668 295 HH11 ARG 39 2HH1 ARG 39 8.772 3.345 -4.727 296 HH12 ARG 39 1HH1 ARG 39 9.506 2.976 -6.252 297 HH21 ARG 39 2HH2 ARG 39 9.654 -0.469 -5.673 298 HH22 ARG 39 1HH2 ARG 39 10.006 0.806 -6.789 299 H ALA 40 H ALA 40 7.917 1.932 1.698 300 HA ALA 40 HA ALA 40 10.199 2.318 3.224 301 HB1 ALA 40 1HB ALA 40 9.405 -0.486 2.999 302 HB2 ALA 40 2HB ALA 40 9.451 0.573 4.410 303 HB3 ALA 40 3HB ALA 40 8.064 0.614 3.321 304 H SER 41 H SER 41 9.747 0.393 0.305 305 HA SER 41 HA SER 41 12.557 0.454 -0.256 306 HB2 SER 41 1HB SER 41 12.297 -1.458 1.397 307 HB3 SER 41 2HB SER 41 11.347 -2.283 0.161 308 HG SER 41 HG SER 41 13.965 -2.238 0.405 309 H ASP 42 H ASP 42 13.004 -0.983 -2.267 310 HA ASP 42 HA ASP 42 11.305 -0.104 -4.333 311 HB2 ASP 42 1HB ASP 42 12.665 -1.863 -5.688 312 HB3 ASP 42 2HB ASP 42 13.501 -0.464 -5.017 313 H ASP 43 H ASP 43 11.068 -2.751 -2.225 314 HA ASP 43 HA ASP 43 8.935 -3.902 -3.892 315 HB2 ASP 43 1HB ASP 43 11.229 -5.280 -2.568 316 HB3 ASP 43 2HB ASP 43 9.679 -6.114 -2.635 317 H TRP 44 H TRP 44 9.020 -1.999 -1.583 318 HA TRP 44 HA TRP 44 6.893 -3.242 -0.073 319 HB2 TRP 44 1HB TRP 44 9.504 -2.467 1.232 320 HB3 TRP 44 2HB TRP 44 8.005 -2.682 2.131 321 HD1 TRP 44 HD TRP 44 10.977 -4.550 1.121 322 HE1 TRP 44 1HE TRP 44 10.615 -7.085 1.379 323 HE3 TRP 44 3HE TRP 44 5.895 -4.592 1.676 324 HZ2 TRP 44 2HZ TRP 44 8.460 -8.867 1.765 325 HZ3 TRP 44 3HZ TRP 44 4.760 -6.753 1.984 326 HH2 TRP 44 HH TRP 44 6.018 -8.845 2.026 327 H TRP 45 H TRP 45 5.848 -1.701 1.418 328 HA TRP 45 HA TRP 45 6.435 1.111 0.838 329 HB2 TRP 45 1HB TRP 45 3.859 -0.330 0.294 330 HB3 TRP 45 2HB TRP 45 3.843 1.384 0.698 331 HD1 TRP 45 HD TRP 45 5.092 -1.026 -2.025 332 HE1 TRP 45 1HE TRP 45 5.490 0.322 -4.181 333 HE3 TRP 45 3HE TRP 45 4.315 3.682 -0.192 334 HZ2 TRP 45 2HZ TRP 45 5.477 3.024 -4.996 335 HZ3 TRP 45 3HZ TRP 45 4.528 5.595 -1.726 336 HH2 TRP 45 HH TRP 45 5.097 5.270 -4.078 337 H GLU 46 H GLU 46 5.224 2.597 2.303 338 HA GLU 46 HA GLU 46 4.692 1.328 4.907 339 HB2 GLU 46 1HB GLU 46 6.135 3.932 4.383 340 HB3 GLU 46 2HB GLU 46 5.671 3.346 5.975 341 HG2 GLU 46 1HG GLU 46 7.045 1.226 5.186 342 HG3 GLU 46 2HG GLU 46 7.833 2.431 4.170 343 H GLY 47 H GLY 47 2.505 1.415 4.962 344 HA2 GLY 47 1HA GLY 47 1.312 4.099 4.960 345 HA3 GLY 47 2HA GLY 47 0.601 2.859 3.938 346 H ARG 48 H ARG 48 -1.373 2.968 5.048 347 HA ARG 48 HA ARG 48 -1.353 1.515 7.592 348 HB2 ARG 48 1HB ARG 48 -1.553 3.878 8.179 349 HB3 ARG 48 2HB ARG 48 -2.911 4.053 7.076 350 HG2 ARG 48 1HG ARG 48 -4.181 2.435 8.448 351 HG3 ARG 48 2HG ARG 48 -2.833 2.395 9.586 352 HD2 ARG 48 1HD ARG 48 -3.969 5.039 8.841 353 HD3 ARG 48 2HD ARG 48 -4.904 4.009 9.924 354 HE ARG 48 HE ARG 48 -2.404 4.019 11.005 355 HH11 ARG 48 2HH1 ARG 48 -4.682 6.486 10.085 356 HH12 ARG 48 1HH1 ARG 48 -4.155 7.608 11.296 357 HH21 ARG 48 2HH2 ARG 48 -1.701 5.487 12.603 358 HH22 ARG 48 1HH2 ARG 48 -2.459 7.039 12.727 359 H HIS 49 H HIS 49 -2.980 0.059 7.823 360 HA HIS 49 HA HIS 49 -5.120 0.059 5.807 361 HB2 HIS 49 1HB HIS 49 -3.559 -1.580 5.023 362 HB3 HIS 49 2HB HIS 49 -3.387 -2.273 6.633 363 HD1 HIS 49 1HD HIS 49 -4.655 -4.363 6.937 364 HD2 HIS 49 2HD HIS 49 -6.434 -1.887 4.115 365 HE1 HIS 49 1HE HIS 49 -6.644 -5.641 6.080 366 HE2 HIS 49 2HE HIS 49 -7.655 -4.159 4.312 367 H ASN 50 H ASN 50 -6.999 0.225 6.821 368 HA ASN 50 HA ASN 50 -8.630 0.078 8.403 369 HB2 ASN 50 1HB ASN 50 -8.482 -2.303 7.692 370 HB3 ASN 50 2HB ASN 50 -7.337 -2.592 8.998 371 HD21 ASN 50 1HD2 ASN 50 -8.125 -3.231 10.873 372 HD22 ASN 50 2HD2 ASN 50 -9.775 -3.112 11.370 373 H GLY 51 H GLY 51 -6.430 1.554 9.223 374 HA2 GLY 51 1HA GLY 51 -5.716 2.573 11.163 375 HA3 GLY 51 2HA GLY 51 -6.785 1.501 12.057 376 H ILE 52 H ILE 52 -4.231 0.443 9.884 377 HA ILE 52 HA ILE 52 -2.581 -0.329 12.181 378 HB ILE 52 HB ILE 52 -3.358 -2.226 9.962 379 HG12 ILE 52 1HG1 ILE 52 -3.974 -2.393 12.917 380 HG13 ILE 52 2HG1 ILE 52 -5.109 -1.799 11.711 381 HG21 ILE 52 1HG2 ILE 52 -1.791 -3.692 10.683 382 HG22 ILE 52 2HG2 ILE 52 -0.982 -2.209 11.189 383 HG23 ILE 52 3HG2 ILE 52 -1.901 -3.156 12.360 384 HD11 ILE 52 1HD1 ILE 52 -4.178 -4.300 10.809 385 HD12 ILE 52 2HD1 ILE 52 -4.589 -4.472 12.516 386 HD13 ILE 52 3HD1 ILE 52 -5.791 -3.869 11.376 387 H ASP 53 H ASP 53 -0.626 0.478 11.865 388 HA ASP 53 HA ASP 53 0.283 1.141 9.190 389 HB2 ASP 53 1HB ASP 53 1.884 2.495 10.195 390 HB3 ASP 53 2HB ASP 53 0.565 2.561 11.360 391 H GLY 54 H GLY 54 1.563 -0.102 7.992 392 HA2 GLY 54 1HA GLY 54 3.603 -1.762 9.164 393 HA3 GLY 54 2HA GLY 54 2.264 -2.683 8.497 394 H LEU 55 H LEU 55 3.738 -3.623 6.995 395 HA LEU 55 HA LEU 55 4.740 -1.806 4.918 396 HB2 LEU 55 1HB LEU 55 5.418 -4.662 5.589 397 HB3 LEU 55 2HB LEU 55 6.025 -3.825 4.162 398 HG LEU 55 HG LEU 55 6.551 -2.933 6.994 399 HD11 LEU 55 1HD1 LEU 55 8.809 -3.975 5.504 400 HD12 LEU 55 2HD1 LEU 55 7.567 -5.196 5.778 401 HD13 LEU 55 3HD1 LEU 55 8.272 -4.334 7.145 402 HD21 LEU 55 1HD2 LEU 55 7.819 -2.147 4.372 403 HD22 LEU 55 2HD2 LEU 55 8.264 -1.544 5.969 404 HD23 LEU 55 3HD2 LEU 55 6.677 -1.170 5.295 405 H ILE 56 H ILE 56 4.332 -2.207 2.718 406 HA ILE 56 HA ILE 56 2.182 -4.126 2.136 407 HB ILE 56 HB ILE 56 2.279 -1.273 1.147 408 HG12 ILE 56 1HG1 ILE 56 0.043 -2.484 2.735 409 HG13 ILE 56 2HG1 ILE 56 1.474 -1.883 3.564 410 HG21 ILE 56 1HG2 ILE 56 -0.047 -3.054 0.673 411 HG22 ILE 56 2HG2 ILE 56 0.576 -1.722 -0.298 412 HG23 ILE 56 3HG2 ILE 56 1.388 -3.287 -0.325 413 HD11 ILE 56 1HD1 ILE 56 0.999 0.290 3.097 414 HD12 ILE 56 2HD1 ILE 56 0.147 -0.100 1.603 415 HD13 ILE 56 3HD1 ILE 56 -0.636 -0.368 3.160 416 HA PRO 57 HA PRO 57 4.996 -5.282 -1.087 417 HB2 PRO 57 1HB PRO 57 3.324 -6.986 -2.381 418 HB3 PRO 57 2HB PRO 57 4.128 -7.397 -0.861 419 HG2 PRO 57 1HG PRO 57 1.329 -6.440 -1.325 420 HG3 PRO 57 2HG PRO 57 1.908 -7.724 -0.248 421 HD2 PRO 57 1HD PRO 57 1.281 -5.245 0.644 422 HD3 PRO 57 2HD PRO 57 2.556 -6.233 1.386 423 H HIS 58 H HIS 58 5.464 -4.439 -3.032 424 HA HIS 58 HA HIS 58 3.554 -2.669 -4.284 425 HB2 HIS 58 1HB HIS 58 5.908 -2.001 -4.078 426 HB3 HIS 58 2HB HIS 58 6.391 -3.373 -5.070 427 HD2 HIS 58 2HD HIS 58 5.364 -3.174 -7.816 428 HE1 HIS 58 1HE HIS 58 5.168 1.058 -7.603 429 HE2 HIS 58 2HE HIS 58 5.045 -0.957 -9.109 430 H GLN 59 H GLN 59 4.148 -5.919 -4.474 431 HA GLN 59 HA GLN 59 3.654 -6.159 -7.336 432 HB2 GLN 59 1HB GLN 59 4.236 -8.180 -5.174 433 HB3 GLN 59 2HB GLN 59 3.808 -8.641 -6.816 434 HG2 GLN 59 1HG GLN 59 6.257 -7.221 -5.847 435 HG3 GLN 59 2HG GLN 59 6.135 -8.723 -6.761 436 HE21 GLN 59 1HE2 GLN 59 5.443 -8.585 -8.979 437 HE22 GLN 59 2HE2 GLN 59 5.782 -7.160 -9.895 438 H TYR 60 H TYR 60 1.961 -6.289 -4.340 439 HA TYR 60 HA TYR 60 -0.412 -7.383 -5.699 440 HB2 TYR 60 1HB TYR 60 0.229 -7.316 -2.743 441 HB3 TYR 60 2HB TYR 60 -1.245 -7.967 -3.451 442 HD1 TYR 60 2HD TYR 60 2.452 -8.348 -3.898 443 HD2 TYR 60 1HD TYR 60 -1.343 -10.256 -3.656 444 HE1 TYR 60 2HE TYR 60 3.544 -10.539 -4.141 445 HE2 TYR 60 1HE TYR 60 -0.261 -12.452 -3.897 446 HH TYR 60 HH TYR 60 2.737 -12.910 -5.029 447 H ILE 61 H ILE 61 0.497 -4.622 -5.836 448 HA ILE 61 HA ILE 61 -1.991 -3.352 -5.163 449 HB ILE 61 HB ILE 61 -1.096 -1.597 -3.751 450 HG12 ILE 61 1HG1 ILE 61 1.301 -2.255 -2.766 451 HG13 ILE 61 2HG1 ILE 61 1.479 -2.958 -4.370 452 HG21 ILE 61 1HG2 ILE 61 -1.989 -3.639 -2.705 453 HG22 ILE 61 2HG2 ILE 61 -0.359 -4.307 -2.657 454 HG23 ILE 61 3HG2 ILE 61 -0.748 -2.866 -1.718 455 HD11 ILE 61 1HD1 ILE 61 1.211 -0.111 -3.564 456 HD12 ILE 61 2HD1 ILE 61 2.319 -0.864 -4.711 457 HD13 ILE 61 3HD1 ILE 61 0.631 -0.611 -5.153 458 H VAL 62 H VAL 62 -2.209 -1.248 -6.095 459 HA VAL 62 HA VAL 62 -0.138 -0.614 -8.097 460 HB VAL 62 HB VAL 62 -3.129 -0.345 -8.438 461 HG11 VAL 62 1HG1 VAL 62 -0.806 0.432 -10.177 462 HG12 VAL 62 2HG1 VAL 62 -2.420 0.153 -10.835 463 HG13 VAL 62 3HG1 VAL 62 -2.161 1.425 -9.641 464 HG21 VAL 62 1HG2 VAL 62 -1.257 -2.492 -9.014 465 HG22 VAL 62 2HG2 VAL 62 -3.020 -2.502 -9.006 466 HG23 VAL 62 3HG2 VAL 62 -2.148 -1.969 -10.442 467 H VAL 63 H VAL 63 0.833 1.194 -7.443 468 HA VAL 63 HA VAL 63 -0.392 3.137 -5.766 469 HB VAL 63 HB VAL 63 2.133 3.365 -7.410 470 HG11 VAL 63 1HG1 VAL 63 1.934 4.909 -4.944 471 HG12 VAL 63 2HG1 VAL 63 2.478 5.400 -6.550 472 HG13 VAL 63 3HG1 VAL 63 0.756 5.387 -6.166 473 HG21 VAL 63 1HG2 VAL 63 3.333 2.567 -5.570 474 HG22 VAL 63 2HG2 VAL 63 1.973 2.790 -4.469 475 HG23 VAL 63 3HG2 VAL 63 1.936 1.495 -5.665 476 H GLN 64 H GLN 64 -1.906 4.516 -6.398 477 HA GLN 64 HA GLN 64 -2.058 5.338 -9.192 478 HB2 GLN 64 1HB GLN 64 -3.956 5.872 -6.901 479 HB3 GLN 64 2HB GLN 64 -4.249 6.264 -8.590 480 HG2 GLN 64 1HG GLN 64 -3.627 3.447 -7.896 481 HG3 GLN 64 2HG GLN 64 -5.217 4.082 -7.475 482 HE21 GLN 64 1HE2 GLN 64 -4.343 2.053 -9.454 483 HE22 GLN 64 2HE2 GLN 64 -5.008 2.576 -10.960 484 H ASP 65 H ASP 65 -1.527 7.306 -9.915 485 HA ASP 65 HA ASP 65 -1.399 9.579 -8.128 486 HB2 ASP 65 1HB ASP 65 1.074 8.467 -9.461 487 HB3 ASP 65 2HB ASP 65 0.973 10.095 -8.797 488 H THR 66 H THR 66 -1.842 11.437 -9.168 489 HA THR 66 HA THR 66 -2.836 12.615 -10.900 490 HB THR 66 HB THR 66 -0.486 13.343 -10.865 491 HG1 THR 66 1HG THR 66 -2.182 13.834 -12.670 492 HG21 THR 66 1HG2 THR 66 0.022 11.458 -13.153 493 HG22 THR 66 2HG2 THR 66 0.386 11.023 -11.483 494 HG23 THR 66 3HG2 THR 66 1.188 12.404 -12.230 495 H SER 67 H SER 67 -3.847 10.135 -11.158 496 HA SER 67 HA SER 67 -3.534 9.462 -14.007 497 HB2 SER 67 1HB SER 67 -3.093 7.687 -12.204 498 HB3 SER 67 2HB SER 67 -4.837 7.694 -11.941 499 HG SER 67 HG SER 67 -4.655 7.474 -14.478 500 H GLY 68 H GLY 68 -5.198 9.744 -15.361 501 HA2 GLY 68 1HA GLY 68 -7.411 9.920 -16.068 502 HA3 GLY 68 2HA GLY 68 -7.929 9.783 -14.394 503 HA PRO 69 HA PRO 69 -7.666 14.310 -16.051 504 HB2 PRO 69 1HB PRO 69 -10.072 14.598 -17.274 505 HB3 PRO 69 2HB PRO 69 -8.608 14.112 -18.137 506 HG2 PRO 69 1HG PRO 69 -10.850 12.417 -17.108 507 HG3 PRO 69 2HG PRO 69 -9.999 12.324 -18.661 508 HD2 PRO 69 1HD PRO 69 -9.449 10.660 -16.596 509 HD3 PRO 69 2HD PRO 69 -8.211 11.184 -17.756 510 H SER 70 H SER 70 -9.012 16.085 -15.268 511 HA SER 70 HA SER 70 -10.009 15.620 -12.680 512 HB2 SER 70 1HB SER 70 -10.819 17.997 -12.831 513 HB3 SER 70 2HB SER 70 -9.115 17.785 -13.232 514 HG SER 70 HG SER 70 -11.232 18.556 -14.830 515 H SER 71 H SER 71 -11.960 15.075 -11.943 516 HA SER 71 HA SER 71 -14.214 15.103 -13.844 517 HB2 SER 71 1HB SER 71 -15.082 13.111 -12.771 518 HB3 SER 71 2HB SER 71 -13.409 12.816 -13.245 519 HG SER 71 HG SER 71 -14.355 12.403 -10.914 520 H GLY 72 H GLY 72 -16.017 16.152 -13.254 521 HA2 GLY 72 1HA GLY 72 -16.100 17.240 -10.513 522 HA3 GLY 72 2HA GLY 72 -16.822 18.009 -11.919 Start of MODEL 14 1 H1 GLY 1 H GLY 1 10.239 28.199 -0.638 2 HA2 GLY 1 1HA GLY 1 8.625 26.208 -1.296 3 HA3 GLY 1 2HA GLY 1 9.926 25.297 -0.544 4 H SER 2 H SER 2 8.693 24.542 1.159 5 HA SER 2 HA SER 2 7.858 24.555 3.277 6 HB2 SER 2 1HB SER 2 9.828 26.286 3.486 7 HB3 SER 2 2HB SER 2 8.518 27.458 3.619 8 HG SER 2 HG SER 2 8.915 26.807 5.670 9 H SER 3 H SER 3 6.081 24.946 1.217 10 HA SER 3 HA SER 3 4.391 27.194 1.571 11 HB2 SER 3 1HB SER 3 3.800 24.491 0.340 12 HB3 SER 3 2HB SER 3 2.771 25.916 0.198 13 HG SER 3 HG SER 3 4.350 25.457 -1.560 14 H GLY 4 H GLY 4 3.830 23.767 2.415 15 HA2 GLY 4 1HA GLY 4 2.898 24.301 5.019 16 HA3 GLY 4 2HA GLY 4 1.518 24.210 3.934 17 H SER 5 H SER 5 1.781 22.216 2.346 18 HA SER 5 HA SER 5 1.829 19.906 4.080 19 HB2 SER 5 1HB SER 5 0.047 20.184 2.393 20 HB3 SER 5 2HB SER 5 1.256 20.097 1.112 21 HG SER 5 HG SER 5 1.753 17.980 2.377 22 H SER 6 H SER 6 3.260 18.237 4.052 23 HA SER 6 HA SER 6 5.805 18.743 2.743 24 HB2 SER 6 1HB SER 6 6.059 18.092 5.000 25 HB3 SER 6 2HB SER 6 4.890 16.781 4.841 26 HG SER 6 HG SER 6 7.454 16.557 4.649 27 H GLY 7 H GLY 7 3.492 16.036 2.969 28 HA2 GLY 7 1HA GLY 7 3.739 15.422 0.195 29 HA3 GLY 7 2HA GLY 7 4.669 14.298 1.175 30 H GLU 8 H GLU 8 1.466 15.452 0.377 31 HA GLU 8 HA GLU 8 -0.108 14.045 2.147 32 HB2 GLU 8 1HB GLU 8 -1.889 14.260 0.591 33 HB3 GLU 8 2HB GLU 8 -0.868 15.674 0.373 34 HG2 GLU 8 1HG GLU 8 0.142 14.669 -1.592 35 HG3 GLU 8 2HG GLU 8 -0.828 13.215 -1.362 36 HA PRO 9 HA PRO 9 0.405 9.766 1.309 37 HB2 PRO 9 1HB PRO 9 -2.078 8.833 1.888 38 HB3 PRO 9 2HB PRO 9 -0.943 9.378 3.129 39 HG2 PRO 9 1HG PRO 9 -3.248 10.838 1.897 40 HG3 PRO 9 2HG PRO 9 -2.752 10.762 3.598 41 HD2 PRO 9 1HD PRO 9 -2.174 12.874 2.005 42 HD3 PRO 9 2HD PRO 9 -1.102 12.347 3.318 43 H ILE 10 H ILE 10 -0.163 8.067 -0.134 44 HA ILE 10 HA ILE 10 -1.669 8.992 -2.489 45 HB ILE 10 HB ILE 10 0.454 6.847 -2.372 46 HG12 ILE 10 1HG1 ILE 10 0.662 9.610 -3.576 47 HG13 ILE 10 2HG1 ILE 10 1.252 9.209 -1.967 48 HG21 ILE 10 1HG2 ILE 10 0.187 6.530 -4.625 49 HG22 ILE 10 2HG2 ILE 10 -1.474 6.889 -4.157 50 HG23 ILE 10 3HG2 ILE 10 -0.472 8.144 -4.886 51 HD11 ILE 10 1HD1 ILE 10 2.213 8.090 -4.586 52 HD12 ILE 10 2HD1 ILE 10 3.086 9.161 -3.488 53 HD13 ILE 10 3HD1 ILE 10 2.727 7.503 -3.004 54 H GLU 11 H GLU 11 -3.565 8.062 -2.839 55 HA GLU 11 HA GLU 11 -4.404 5.768 -1.335 56 HB2 GLU 11 1HB GLU 11 -5.684 7.571 -3.352 57 HB3 GLU 11 2HB GLU 11 -6.452 6.041 -2.954 58 HG2 GLU 11 1HG GLU 11 -6.925 6.678 -0.799 59 HG3 GLU 11 2HG GLU 11 -5.632 7.875 -0.756 60 H ALA 12 H ALA 12 -3.839 3.769 -1.859 61 HA ALA 12 HA ALA 12 -3.498 3.092 -4.705 62 HB1 ALA 12 1HB ALA 12 -1.924 2.505 -2.358 63 HB2 ALA 12 2HB ALA 12 -2.391 1.028 -3.203 64 HB3 ALA 12 3HB ALA 12 -1.523 2.299 -4.063 65 H ILE 13 H ILE 13 -3.822 0.590 -5.011 66 HA ILE 13 HA ILE 13 -6.186 -0.321 -3.535 67 HB ILE 13 HB ILE 13 -6.008 -0.354 -6.549 68 HG12 ILE 13 1HG1 ILE 13 -6.391 1.914 -5.520 69 HG13 ILE 13 2HG1 ILE 13 -7.685 1.356 -6.574 70 HG21 ILE 13 1HG2 ILE 13 -8.606 -0.830 -5.886 71 HG22 ILE 13 2HG2 ILE 13 -7.420 -2.073 -6.278 72 HG23 ILE 13 3HG2 ILE 13 -7.747 -1.666 -4.593 73 HD11 ILE 13 1HD1 ILE 13 -8.947 0.650 -4.570 74 HD12 ILE 13 2HD1 ILE 13 -7.676 1.353 -3.568 75 HD13 ILE 13 3HD1 ILE 13 -8.632 2.384 -4.633 76 H ALA 14 H ALA 14 -6.177 -2.444 -3.080 77 HA ALA 14 HA ALA 14 -3.893 -3.999 -3.346 78 HB1 ALA 14 1HB ALA 14 -5.282 -5.889 -2.640 79 HB2 ALA 14 2HB ALA 14 -5.606 -4.447 -1.677 80 HB3 ALA 14 3HB ALA 14 -6.733 -4.933 -2.944 81 H LYS 15 H LYS 15 -3.026 -5.076 -4.986 82 HA LYS 15 HA LYS 15 -4.439 -5.271 -7.499 83 HB2 LYS 15 1HB LYS 15 -1.873 -4.797 -6.989 84 HB3 LYS 15 2HB LYS 15 -1.778 -6.550 -7.089 85 HG2 LYS 15 1HG LYS 15 -2.456 -6.574 -9.328 86 HG3 LYS 15 2HG LYS 15 -3.062 -4.918 -9.252 87 HD2 LYS 15 1HD LYS 15 -1.082 -4.534 -10.316 88 HD3 LYS 15 2HD LYS 15 -0.528 -4.419 -8.644 89 HE2 LYS 15 1HE LYS 15 0.047 -6.859 -8.772 90 HE3 LYS 15 2HE LYS 15 -0.301 -6.783 -10.499 91 HZ1 LYS 15 1HZ LYS 15 2.106 -6.316 -9.396 92 HZ2 LYS 15 2HZ LYS 15 1.510 -4.743 -9.563 93 HZ3 LYS 15 3HZ LYS 15 1.622 -5.752 -10.916 94 H PHE 16 H PHE 16 -3.422 -7.401 -4.914 95 HA PHE 16 HA PHE 16 -5.194 -9.462 -5.872 96 HB2 PHE 16 1HB PHE 16 -2.253 -10.106 -5.597 97 HB3 PHE 16 2HB PHE 16 -3.537 -11.218 -6.061 98 HD1 PHE 16 2HD PHE 16 -4.893 -10.521 -8.192 99 HD2 PHE 16 1HD PHE 16 -0.992 -9.110 -7.240 100 HE1 PHE 16 2HE PHE 16 -4.520 -9.965 -10.560 101 HE2 PHE 16 1HE PHE 16 -0.613 -8.550 -9.605 102 HZ PHE 16 HZ PHE 16 -2.378 -8.979 -11.269 103 H ASP 17 H ASP 17 -5.826 -10.875 -4.269 104 HA ASP 17 HA ASP 17 -5.909 -10.089 -1.672 105 HB2 ASP 17 1HB ASP 17 -6.220 -12.568 -1.117 106 HB3 ASP 17 2HB ASP 17 -7.322 -11.871 -2.302 107 H TYR 18 H TYR 18 -4.238 -9.486 -0.452 108 HA TYR 18 HA TYR 18 -1.885 -11.256 -0.338 109 HB2 TYR 18 1HB TYR 18 -1.428 -8.982 -1.217 110 HB3 TYR 18 2HB TYR 18 -2.020 -8.300 0.294 111 HD1 TYR 18 1HD TYR 18 0.500 -10.780 -0.922 112 HD2 TYR 18 2HD TYR 18 -0.478 -7.779 1.932 113 HE1 TYR 18 1HE TYR 18 2.756 -10.967 0.039 114 HE2 TYR 18 2HE TYR 18 1.776 -7.958 2.900 115 HH TYR 18 HH TYR 18 4.009 -10.458 1.910 116 H VAL 19 H VAL 19 -0.937 -11.678 1.687 117 HA VAL 19 HA VAL 19 -2.539 -10.946 4.041 118 HB VAL 19 HB VAL 19 -3.192 -13.216 3.402 119 HG11 VAL 19 1HG1 VAL 19 -0.669 -13.541 2.508 120 HG12 VAL 19 2HG1 VAL 19 -0.569 -14.388 4.053 121 HG13 VAL 19 3HG1 VAL 19 -1.768 -14.876 2.854 122 HG21 VAL 19 1HG2 VAL 19 -3.107 -12.591 5.777 123 HG22 VAL 19 2HG2 VAL 19 -2.778 -14.306 5.534 124 HG23 VAL 19 3HG2 VAL 19 -1.452 -13.193 5.867 125 H GLY 20 H GLY 20 -1.218 -9.765 5.265 126 HA2 GLY 20 1HA GLY 20 1.519 -9.586 5.161 127 HA3 GLY 20 2HA GLY 20 0.578 -9.241 6.604 128 H ARG 21 H ARG 21 2.795 -11.359 5.110 129 HA ARG 21 HA ARG 21 2.440 -13.736 6.495 130 HB2 ARG 21 1HB ARG 21 5.010 -12.422 5.598 131 HB3 ARG 21 2HB ARG 21 4.883 -14.091 6.139 132 HG2 ARG 21 1HG ARG 21 3.114 -14.321 4.274 133 HG3 ARG 21 2HG ARG 21 3.822 -12.832 3.644 134 HD2 ARG 21 1HD ARG 21 5.562 -15.159 4.365 135 HD3 ARG 21 2HD ARG 21 4.720 -15.119 2.816 136 HE ARG 21 HE ARG 21 6.994 -13.545 3.595 137 HH11 ARG 21 2HH1 ARG 21 4.233 -13.737 1.483 138 HH12 ARG 21 1HH1 ARG 21 4.914 -12.688 0.284 139 HH21 ARG 21 2HH2 ARG 21 7.901 -12.162 2.024 140 HH22 ARG 21 1HH2 ARG 21 7.000 -11.793 0.592 141 H THR 22 H THR 22 4.004 -10.753 7.506 142 HA THR 22 HA THR 22 4.213 -11.867 10.226 143 HB THR 22 HB THR 22 6.238 -10.598 10.622 144 HG1 THR 22 1HG THR 22 6.866 -9.058 9.300 145 HG21 THR 22 1HG2 THR 22 6.724 -12.756 9.815 146 HG22 THR 22 2HG2 THR 22 7.735 -11.679 8.853 147 HG23 THR 22 3HG2 THR 22 6.250 -12.339 8.169 148 H ALA 23 H ALA 23 4.070 -10.295 11.951 149 HA ALA 23 HA ALA 23 1.905 -8.651 11.897 150 HB1 ALA 23 1HB ALA 23 2.677 -7.659 13.915 151 HB2 ALA 23 2HB ALA 23 3.234 -9.332 13.912 152 HB3 ALA 23 3HB ALA 23 4.358 -8.028 13.528 153 H ARG 24 H ARG 24 5.237 -7.755 11.102 154 HA ARG 24 HA ARG 24 4.975 -5.022 10.838 155 HB2 ARG 24 1HB ARG 24 6.716 -7.076 9.574 156 HB3 ARG 24 2HB ARG 24 6.692 -5.476 8.844 157 HG2 ARG 24 1HG ARG 24 7.100 -4.662 11.285 158 HG3 ARG 24 2HG ARG 24 7.659 -6.317 11.535 159 HD2 ARG 24 1HD ARG 24 9.106 -5.932 9.452 160 HD3 ARG 24 2HD ARG 24 8.754 -4.220 9.688 161 HE ARG 24 HE ARG 24 9.656 -5.173 12.120 162 HH11 ARG 24 2HH1 ARG 24 10.885 -4.864 8.878 163 HH12 ARG 24 1HH1 ARG 24 12.534 -4.688 9.380 164 HH21 ARG 24 2HH2 ARG 24 11.822 -4.941 12.794 165 HH22 ARG 24 1HH2 ARG 24 13.066 -4.733 11.608 166 H GLU 25 H GLU 25 4.363 -7.508 8.369 167 HA GLU 25 HA GLU 25 3.488 -5.620 6.410 168 HB2 GLU 25 1HB GLU 25 3.314 -8.623 6.602 169 HB3 GLU 25 2HB GLU 25 2.633 -7.727 5.251 170 HG2 GLU 25 1HG GLU 25 5.525 -7.759 6.084 171 HG3 GLU 25 2HG GLU 25 4.825 -8.599 4.701 172 H LEU 26 H LEU 26 1.250 -6.036 5.351 173 HA LEU 26 HA LEU 26 -0.797 -6.303 7.448 174 HB2 LEU 26 1HB LEU 26 -0.917 -4.288 5.217 175 HB3 LEU 26 2HB LEU 26 -2.001 -4.431 6.599 176 HG LEU 26 HG LEU 26 0.909 -3.710 6.876 177 HD11 LEU 26 1HD1 LEU 26 0.220 -1.897 5.657 178 HD12 LEU 26 2HD1 LEU 26 -0.210 -1.375 7.286 179 HD13 LEU 26 3HD1 LEU 26 -1.451 -2.018 6.211 180 HD21 LEU 26 1HD2 LEU 26 -0.663 -4.597 8.788 181 HD22 LEU 26 2HD2 LEU 26 -1.260 -2.937 8.764 182 HD23 LEU 26 3HD2 LEU 26 0.447 -3.256 9.072 183 H SER 27 H SER 27 -2.564 -7.466 6.918 184 HA SER 27 HA SER 27 -2.556 -8.777 4.315 185 HB2 SER 27 1HB SER 27 -2.883 -10.391 5.947 186 HB3 SER 27 2HB SER 27 -3.856 -9.322 6.957 187 HG SER 27 HG SER 27 -4.739 -10.247 4.433 188 H PHE 28 H PHE 28 -3.972 -8.381 2.731 189 HA PHE 28 HA PHE 28 -6.469 -6.995 3.311 190 HB2 PHE 28 1HB PHE 28 -5.973 -5.436 1.330 191 HB3 PHE 28 2HB PHE 28 -5.165 -5.090 2.855 192 HD1 PHE 28 1HD PHE 28 -4.730 -6.402 -0.547 193 HD2 PHE 28 2HD PHE 28 -2.795 -5.279 3.075 194 HE1 PHE 28 1HE PHE 28 -2.553 -6.475 -1.691 195 HE2 PHE 28 2HE PHE 28 -0.616 -5.349 1.936 196 HZ PHE 28 HZ PHE 28 -0.492 -5.947 -0.450 197 H LYS 29 H LYS 29 -7.855 -6.849 1.310 198 HA LYS 29 HA LYS 29 -7.443 -9.256 -0.339 199 HB2 LYS 29 1HB LYS 29 -9.944 -7.977 0.738 200 HB3 LYS 29 2HB LYS 29 -9.998 -9.077 -0.633 201 HG2 LYS 29 1HG LYS 29 -10.387 -10.549 1.051 202 HG3 LYS 29 2HG LYS 29 -8.624 -10.626 1.003 203 HD2 LYS 29 1HD LYS 29 -9.138 -10.385 3.276 204 HD3 LYS 29 2HD LYS 29 -8.679 -8.761 2.756 205 HE2 LYS 29 1HE LYS 29 -10.595 -8.269 3.894 206 HE3 LYS 29 2HE LYS 29 -11.273 -8.563 2.294 207 HZ1 LYS 29 1HZ LYS 29 -12.587 -10.016 3.321 208 HZ2 LYS 29 2HZ LYS 29 -11.652 -10.025 4.731 209 HZ3 LYS 29 3HZ LYS 29 -11.235 -11.028 3.433 210 H LYS 30 H LYS 30 -7.780 -9.149 -2.543 211 HA LYS 30 HA LYS 30 -7.013 -7.003 -3.985 212 HB2 LYS 30 1HB LYS 30 -7.396 -9.226 -4.954 213 HB3 LYS 30 2HB LYS 30 -9.134 -8.989 -4.825 214 HG2 LYS 30 1HG LYS 30 -9.098 -7.260 -6.459 215 HG3 LYS 30 2HG LYS 30 -7.334 -7.220 -6.461 216 HD2 LYS 30 1HD LYS 30 -7.373 -9.593 -7.269 217 HD3 LYS 30 2HD LYS 30 -9.121 -9.437 -7.452 218 HE2 LYS 30 1HE LYS 30 -8.699 -7.478 -8.951 219 HE3 LYS 30 2HE LYS 30 -6.980 -7.863 -8.875 220 HZ1 LYS 30 1HZ LYS 30 -8.041 -8.794 -10.847 221 HZ2 LYS 30 2HZ LYS 30 -9.100 -9.687 -9.876 222 HZ3 LYS 30 3HZ LYS 30 -7.441 -10.016 -9.842 223 H GLY 31 H GLY 31 -7.782 -5.060 -4.554 224 HA2 GLY 31 1HA GLY 31 -9.479 -3.542 -5.214 225 HA3 GLY 31 2HA GLY 31 -10.668 -4.568 -4.426 226 H ALA 32 H ALA 32 -9.309 -4.839 -1.935 227 HA ALA 32 HA ALA 32 -10.370 -2.902 -0.388 228 HB1 ALA 32 1HB ALA 32 -9.450 -4.619 0.829 229 HB2 ALA 32 2HB ALA 32 -7.921 -4.569 -0.050 230 HB3 ALA 32 3HB ALA 32 -8.292 -3.327 1.145 231 H SER 33 H SER 33 -9.791 -0.906 0.447 232 HA SER 33 HA SER 33 -7.988 0.637 -1.231 233 HB2 SER 33 1HB SER 33 -10.218 1.543 -0.694 234 HB3 SER 33 2HB SER 33 -9.805 1.533 1.020 235 HG SER 33 HG SER 33 -7.951 2.909 0.285 236 H LEU 34 H LEU 34 -5.977 1.153 -0.686 237 HA LEU 34 HA LEU 34 -5.209 1.024 2.154 238 HB2 LEU 34 1HB LEU 34 -3.352 0.308 -0.092 239 HB3 LEU 34 2HB LEU 34 -3.165 -0.012 1.631 240 HG LEU 34 HG LEU 34 -5.393 -1.303 0.110 241 HD11 LEU 34 1HD1 LEU 34 -3.121 -3.034 0.312 242 HD12 LEU 34 2HD1 LEU 34 -2.695 -1.592 -0.607 243 HD13 LEU 34 3HD1 LEU 34 -4.061 -2.586 -1.111 244 HD21 LEU 34 1HD2 LEU 34 -5.188 -1.385 2.616 245 HD22 LEU 34 2HD2 LEU 34 -3.708 -2.318 2.389 246 HD23 LEU 34 3HD2 LEU 34 -5.249 -2.953 1.810 247 H LEU 35 H LEU 35 -4.020 2.686 2.925 248 HA LEU 35 HA LEU 35 -3.498 4.901 1.084 249 HB2 LEU 35 1HB LEU 35 -4.776 4.986 3.390 250 HB3 LEU 35 2HB LEU 35 -3.141 5.133 4.030 251 HG LEU 35 HG LEU 35 -2.928 7.092 2.339 252 HD11 LEU 35 1HD1 LEU 35 -5.922 6.996 2.668 253 HD12 LEU 35 2HD1 LEU 35 -5.057 6.586 1.187 254 HD13 LEU 35 3HD1 LEU 35 -4.985 8.229 1.823 255 HD21 LEU 35 1HD2 LEU 35 -2.866 8.147 4.289 256 HD22 LEU 35 2HD2 LEU 35 -3.845 6.888 5.044 257 HD23 LEU 35 3HD2 LEU 35 -4.626 8.257 4.252 258 H LEU 36 H LEU 36 -1.508 5.372 0.433 259 HA LEU 36 HA LEU 36 0.749 4.034 1.733 260 HB2 LEU 36 1HB LEU 36 0.690 5.544 -0.874 261 HB3 LEU 36 2HB LEU 36 2.000 4.532 -0.268 262 HG LEU 36 HG LEU 36 -0.701 3.645 -1.266 263 HD11 LEU 36 1HD1 LEU 36 1.050 2.201 -2.634 264 HD12 LEU 36 2HD1 LEU 36 2.082 3.589 -2.291 265 HD13 LEU 36 3HD1 LEU 36 0.559 3.814 -3.151 266 HD21 LEU 36 1HD2 LEU 36 -0.222 2.304 0.658 267 HD22 LEU 36 2HD2 LEU 36 1.448 2.067 0.142 268 HD23 LEU 36 3HD2 LEU 36 0.127 1.345 -0.780 269 H TYR 37 H TYR 37 2.085 5.106 3.023 270 HA TYR 37 HA TYR 37 1.856 8.009 3.203 271 HB2 TYR 37 1HB TYR 37 3.201 5.962 4.971 272 HB3 TYR 37 2HB TYR 37 3.284 7.697 5.257 273 HD1 TYR 37 1HD TYR 37 0.503 8.492 4.581 274 HD2 TYR 37 2HD TYR 37 1.971 5.167 6.794 275 HE1 TYR 37 1HE TYR 37 -1.616 8.392 5.825 276 HE2 TYR 37 2HE TYR 37 -0.145 5.057 8.042 277 HH TYR 37 HH TYR 37 -2.927 6.800 7.103 278 H GLN 38 H GLN 38 4.380 5.536 2.815 279 HA GLN 38 HA GLN 38 5.870 7.129 1.000 280 HB2 GLN 38 1HB GLN 38 6.832 8.421 2.612 281 HB3 GLN 38 2HB GLN 38 6.586 7.221 3.874 282 HG2 GLN 38 1HG GLN 38 8.539 6.112 3.395 283 HG3 GLN 38 2HG GLN 38 8.587 6.694 1.732 284 HE21 GLN 38 1HE2 GLN 38 9.564 8.612 1.274 285 HE22 GLN 38 2HE2 GLN 38 10.436 9.543 2.438 286 H ARG 39 H ARG 39 7.586 5.995 0.045 287 HA ARG 39 HA ARG 39 7.350 3.143 0.216 288 HB2 ARG 39 1HB ARG 39 7.764 4.410 -1.909 289 HB3 ARG 39 2HB ARG 39 9.387 4.755 -1.326 290 HG2 ARG 39 1HG ARG 39 9.845 2.929 -2.582 291 HG3 ARG 39 2HG ARG 39 9.446 2.117 -1.067 292 HD2 ARG 39 1HD ARG 39 7.400 1.397 -1.836 293 HD3 ARG 39 2HD ARG 39 7.269 2.698 -3.018 294 HE ARG 39 HE ARG 39 8.573 0.144 -3.371 295 HH11 ARG 39 2HH1 ARG 39 8.220 3.410 -4.522 296 HH12 ARG 39 1HH1 ARG 39 8.779 3.046 -6.121 297 HH21 ARG 39 2HH2 ARG 39 9.312 -0.349 -5.472 298 HH22 ARG 39 1HH2 ARG 39 9.399 0.907 -6.661 299 H ALA 40 H ALA 40 8.768 1.671 1.047 300 HA ALA 40 HA ALA 40 10.953 2.766 2.691 301 HB1 ALA 40 1HB ALA 40 9.151 0.402 3.067 302 HB2 ALA 40 2HB ALA 40 10.705 0.503 3.894 303 HB3 ALA 40 3HB ALA 40 9.478 1.740 4.169 304 H SER 41 H SER 41 10.091 0.390 0.275 305 HA SER 41 HA SER 41 12.886 0.040 -0.396 306 HB2 SER 41 1HB SER 41 12.090 -1.722 1.401 307 HB3 SER 41 2HB SER 41 11.359 -2.504 -0.001 308 HG SER 41 HG SER 41 14.008 -1.671 -0.230 309 H ASP 42 H ASP 42 13.186 -1.085 -2.437 310 HA ASP 42 HA ASP 42 11.373 -0.258 -4.409 311 HB2 ASP 42 1HB ASP 42 13.516 -2.388 -4.589 312 HB3 ASP 42 2HB ASP 42 12.725 -1.613 -5.959 313 H ASP 43 H ASP 43 11.143 -2.819 -2.267 314 HA ASP 43 HA ASP 43 9.038 -4.049 -3.902 315 HB2 ASP 43 1HB ASP 43 11.213 -5.498 -2.387 316 HB3 ASP 43 2HB ASP 43 9.740 -6.284 -2.950 317 H TRP 44 H TRP 44 8.995 -2.114 -1.702 318 HA TRP 44 HA TRP 44 6.990 -3.414 -0.099 319 HB2 TRP 44 1HB TRP 44 9.602 -2.526 1.129 320 HB3 TRP 44 2HB TRP 44 8.129 -2.741 2.071 321 HD1 TRP 44 HD TRP 44 11.127 -4.568 1.167 322 HE1 TRP 44 1HE TRP 44 10.820 -7.105 1.474 323 HE3 TRP 44 3HE TRP 44 6.033 -4.726 1.574 324 HZ2 TRP 44 2HZ TRP 44 8.699 -8.932 1.840 325 HZ3 TRP 44 3HZ TRP 44 4.943 -6.908 1.900 326 HH2 TRP 44 HH TRP 44 6.250 -8.966 2.030 327 H TRP 45 H TRP 45 5.929 -1.879 1.401 328 HA TRP 45 HA TRP 45 6.395 0.940 0.766 329 HB2 TRP 45 1HB TRP 45 3.887 -0.608 0.216 330 HB3 TRP 45 2HB TRP 45 3.783 1.100 0.635 331 HD1 TRP 45 HD TRP 45 5.187 -1.217 -2.099 332 HE1 TRP 45 1HE TRP 45 5.515 0.168 -4.243 333 HE3 TRP 45 3HE TRP 45 4.109 3.422 -0.241 334 HZ2 TRP 45 2HZ TRP 45 5.341 2.870 -5.041 335 HZ3 TRP 45 3HZ TRP 45 4.214 5.354 -1.761 336 HH2 TRP 45 HH TRP 45 4.818 5.082 -4.111 337 H GLU 46 H GLU 46 5.100 2.393 2.207 338 HA GLU 46 HA GLU 46 4.604 1.135 4.823 339 HB2 GLU 46 1HB GLU 46 5.858 3.853 4.412 340 HB3 GLU 46 2HB GLU 46 5.622 3.015 5.940 341 HG2 GLU 46 1HG GLU 46 7.107 1.181 4.778 342 HG3 GLU 46 2HG GLU 46 7.643 2.556 3.814 343 H GLY 47 H GLY 47 2.434 1.198 4.962 344 HA2 GLY 47 1HA GLY 47 1.175 3.844 4.904 345 HA3 GLY 47 2HA GLY 47 0.496 2.588 3.879 346 H ARG 48 H ARG 48 -1.480 2.839 5.063 347 HA ARG 48 HA ARG 48 -1.450 1.316 7.574 348 HB2 ARG 48 1HB ARG 48 -1.669 3.624 8.240 349 HB3 ARG 48 2HB ARG 48 -2.940 3.891 7.054 350 HG2 ARG 48 1HG ARG 48 -4.135 1.972 8.406 351 HG3 ARG 48 2HG ARG 48 -3.056 2.527 9.687 352 HD2 ARG 48 1HD ARG 48 -4.854 3.887 10.064 353 HD3 ARG 48 2HD ARG 48 -3.938 4.893 8.943 354 HE ARG 48 HE ARG 48 -5.833 3.166 7.649 355 HH11 ARG 48 2HH1 ARG 48 -5.376 6.236 9.227 356 HH12 ARG 48 1HH1 ARG 48 -6.722 6.989 8.437 357 HH21 ARG 48 2HH2 ARG 48 -7.606 4.147 6.603 358 HH22 ARG 48 1HH2 ARG 48 -7.990 5.800 6.945 359 H HIS 49 H HIS 49 -3.224 -0.003 7.932 360 HA HIS 49 HA HIS 49 -5.320 -0.053 5.886 361 HB2 HIS 49 1HB HIS 49 -3.821 -1.699 5.052 362 HB3 HIS 49 2HB HIS 49 -3.544 -2.366 6.658 363 HD1 HIS 49 1HD HIS 49 -5.046 -4.234 7.392 364 HD2 HIS 49 2HD HIS 49 -6.443 -2.312 3.985 365 HE1 HIS 49 1HE HIS 49 -6.981 -5.621 6.584 366 HE2 HIS 49 2HE HIS 49 -7.757 -4.486 4.474 367 H ASN 50 H ASN 50 -7.231 -0.019 6.851 368 HA ASN 50 HA ASN 50 -8.844 -0.154 8.455 369 HB2 ASN 50 1HB ASN 50 -8.609 -2.548 7.781 370 HB3 ASN 50 2HB ASN 50 -7.482 -2.773 9.116 371 HD21 ASN 50 1HD2 ASN 50 -8.287 -3.385 10.994 372 HD22 ASN 50 2HD2 ASN 50 -9.951 -3.305 11.454 373 H GLY 51 H GLY 51 -6.427 1.230 9.203 374 HA2 GLY 51 1HA GLY 51 -5.821 2.359 11.139 375 HA3 GLY 51 2HA GLY 51 -6.858 1.278 12.059 376 H ILE 52 H ILE 52 -4.480 -0.022 9.890 377 HA ILE 52 HA ILE 52 -2.775 -0.703 12.194 378 HB ILE 52 HB ILE 52 -3.287 -2.529 9.848 379 HG12 ILE 52 1HG1 ILE 52 -5.349 -2.242 11.153 380 HG13 ILE 52 2HG1 ILE 52 -4.685 -3.858 11.365 381 HG21 ILE 52 1HG2 ILE 52 -2.027 -4.131 10.972 382 HG22 ILE 52 2HG2 ILE 52 -1.130 -2.639 11.244 383 HG23 ILE 52 3HG2 ILE 52 -2.160 -3.291 12.517 384 HD11 ILE 52 1HD1 ILE 52 -5.556 -2.752 13.437 385 HD12 ILE 52 2HD1 ILE 52 -3.896 -3.340 13.533 386 HD13 ILE 52 3HD1 ILE 52 -4.210 -1.620 13.309 387 H ASP 53 H ASP 53 -0.794 0.074 11.982 388 HA ASP 53 HA ASP 53 0.169 0.912 9.368 389 HB2 ASP 53 1HB ASP 53 1.836 2.145 10.519 390 HB3 ASP 53 2HB ASP 53 0.367 2.327 11.473 391 H GLY 54 H GLY 54 1.634 -0.151 8.186 392 HA2 GLY 54 1HA GLY 54 3.649 -1.827 9.310 393 HA3 GLY 54 2HA GLY 54 2.341 -2.783 8.630 394 H LEU 55 H LEU 55 3.682 -3.667 7.038 395 HA LEU 55 HA LEU 55 4.686 -1.781 5.018 396 HB2 LEU 55 1HB LEU 55 5.463 -4.578 5.765 397 HB3 LEU 55 2HB LEU 55 5.902 -3.897 4.200 398 HG LEU 55 HG LEU 55 6.699 -2.718 6.859 399 HD11 LEU 55 1HD1 LEU 55 7.837 -4.890 5.271 400 HD12 LEU 55 2HD1 LEU 55 8.123 -4.439 6.951 401 HD13 LEU 55 3HD1 LEU 55 8.984 -3.606 5.657 402 HD21 LEU 55 1HD2 LEU 55 7.615 -2.130 4.046 403 HD22 LEU 55 2HD2 LEU 55 8.251 -1.396 5.517 404 HD23 LEU 55 3HD2 LEU 55 6.581 -1.099 5.034 405 H ILE 56 H ILE 56 4.371 -2.277 2.775 406 HA ILE 56 HA ILE 56 2.187 -4.152 2.200 407 HB ILE 56 HB ILE 56 2.297 -1.264 1.337 408 HG12 ILE 56 1HG1 ILE 56 -0.034 -2.684 2.589 409 HG13 ILE 56 2HG1 ILE 56 1.274 -2.070 3.595 410 HG21 ILE 56 1HG2 ILE 56 -0.057 -2.566 0.421 411 HG22 ILE 56 2HG2 ILE 56 1.204 -1.776 -0.523 412 HG23 ILE 56 3HG2 ILE 56 1.339 -3.490 -0.130 413 HD11 ILE 56 1HD1 ILE 56 -0.901 -0.653 2.995 414 HD12 ILE 56 2HD1 ILE 56 0.676 0.082 3.290 415 HD13 ILE 56 3HD1 ILE 56 0.124 -0.188 1.637 416 HA PRO 57 HA PRO 57 5.020 -5.331 -1.000 417 HB2 PRO 57 1HB PRO 57 3.357 -7.053 -2.281 418 HB3 PRO 57 2HB PRO 57 4.159 -7.448 -0.756 419 HG2 PRO 57 1HG PRO 57 1.358 -6.506 -1.235 420 HG3 PRO 57 2HG PRO 57 1.940 -7.777 -0.144 421 HD2 PRO 57 1HD PRO 57 1.301 -5.293 0.723 422 HD3 PRO 57 2HD PRO 57 2.579 -6.268 1.477 423 H HIS 58 H HIS 58 5.452 -4.680 -3.052 424 HA HIS 58 HA HIS 58 3.564 -2.856 -4.291 425 HB2 HIS 58 1HB HIS 58 5.945 -2.236 -4.111 426 HB3 HIS 58 2HB HIS 58 6.375 -3.614 -5.119 427 HD2 HIS 58 2HD HIS 58 5.684 -3.339 -7.863 428 HE1 HIS 58 1HE HIS 58 4.887 0.819 -7.589 429 HE2 HIS 58 2HE HIS 58 5.168 -1.148 -9.137 430 H GLN 59 H GLN 59 3.949 -6.094 -4.361 431 HA GLN 59 HA GLN 59 3.466 -6.397 -7.231 432 HB2 GLN 59 1HB GLN 59 4.118 -8.351 -5.034 433 HB3 GLN 59 2HB GLN 59 3.572 -8.883 -6.619 434 HG2 GLN 59 1HG GLN 59 6.071 -7.351 -5.959 435 HG3 GLN 59 2HG GLN 59 5.943 -8.993 -6.587 436 HE21 GLN 59 1HE2 GLN 59 5.706 -9.317 -8.741 437 HE22 GLN 59 2HE2 GLN 59 5.728 -8.050 -9.915 438 H TYR 60 H TYR 60 1.818 -6.350 -4.230 439 HA TYR 60 HA TYR 60 -0.589 -7.482 -5.499 440 HB2 TYR 60 1HB TYR 60 0.096 -7.325 -2.557 441 HB3 TYR 60 2HB TYR 60 -1.388 -7.993 -3.227 442 HD1 TYR 60 2HD TYR 60 2.312 -8.409 -3.586 443 HD2 TYR 60 1HD TYR 60 -1.506 -10.282 -3.467 444 HE1 TYR 60 2HE TYR 60 3.393 -10.611 -3.767 445 HE2 TYR 60 1HE TYR 60 -0.436 -12.489 -3.646 446 HH TYR 60 HH TYR 60 1.849 -13.477 -3.096 447 H ILE 61 H ILE 61 0.343 -4.746 -5.759 448 HA ILE 61 HA ILE 61 -2.109 -3.418 -5.063 449 HB ILE 61 HB ILE 61 -1.130 -1.612 -3.759 450 HG12 ILE 61 1HG1 ILE 61 1.261 -2.301 -2.788 451 HG13 ILE 61 2HG1 ILE 61 1.386 -3.089 -4.357 452 HG21 ILE 61 1HG2 ILE 61 -0.434 -4.278 -2.537 453 HG22 ILE 61 2HG2 ILE 61 -0.817 -2.786 -1.680 454 HG23 ILE 61 3HG2 ILE 61 -2.061 -3.605 -2.623 455 HD11 ILE 61 1HD1 ILE 61 2.315 -0.760 -4.208 456 HD12 ILE 61 2HD1 ILE 61 1.152 -1.041 -5.504 457 HD13 ILE 61 3HD1 ILE 61 0.653 -0.196 -4.039 458 H VAL 62 H VAL 62 -2.315 -1.331 -6.053 459 HA VAL 62 HA VAL 62 -0.314 -0.826 -8.159 460 HB VAL 62 HB VAL 62 -3.310 -0.485 -8.367 461 HG11 VAL 62 1HG1 VAL 62 -1.558 -0.264 -10.739 462 HG12 VAL 62 2HG1 VAL 62 -3.050 0.591 -10.345 463 HG13 VAL 62 3HG1 VAL 62 -1.527 1.083 -9.602 464 HG21 VAL 62 1HG2 VAL 62 -2.889 -2.779 -8.571 465 HG22 VAL 62 2HG2 VAL 62 -2.952 -2.200 -10.235 466 HG23 VAL 62 3HG2 VAL 62 -1.395 -2.517 -9.471 467 H VAL 63 H VAL 63 0.692 1.036 -7.829 468 HA VAL 63 HA VAL 63 -0.415 3.071 -6.118 469 HB VAL 63 HB VAL 63 2.137 3.010 -7.732 470 HG11 VAL 63 1HG1 VAL 63 1.618 5.294 -7.477 471 HG12 VAL 63 2HG1 VAL 63 1.047 5.062 -5.824 472 HG13 VAL 63 3HG1 VAL 63 2.767 4.927 -6.191 473 HG21 VAL 63 1HG2 VAL 63 1.729 2.749 -4.757 474 HG22 VAL 63 2HG2 VAL 63 1.944 1.384 -5.853 475 HG23 VAL 63 3HG2 VAL 63 3.239 2.563 -5.649 476 H GLN 64 H GLN 64 -1.854 4.497 -6.816 477 HA GLN 64 HA GLN 64 -2.261 5.035 -9.597 478 HB2 GLN 64 1HB GLN 64 -3.418 6.475 -7.205 479 HB3 GLN 64 2HB GLN 64 -4.023 6.535 -8.855 480 HG2 GLN 64 1HG GLN 64 -3.816 3.884 -7.536 481 HG3 GLN 64 2HG GLN 64 -5.104 4.975 -7.027 482 HE21 GLN 64 1HE2 GLN 64 -5.210 2.409 -8.451 483 HE22 GLN 64 2HE2 GLN 64 -6.073 2.721 -9.915 484 H ASP 65 H ASP 65 -0.274 5.894 -10.301 485 HA ASP 65 HA ASP 65 0.461 8.521 -9.216 486 HB2 ASP 65 1HB ASP 65 2.353 7.101 -9.246 487 HB3 ASP 65 2HB ASP 65 1.969 6.491 -10.854 488 H THR 66 H THR 66 -0.754 10.031 -10.203 489 HA THR 66 HA THR 66 -0.701 10.085 -13.149 490 HB THR 66 HB THR 66 -2.924 11.268 -13.028 491 HG1 THR 66 1HG THR 66 -2.694 11.676 -10.688 492 HG21 THR 66 1HG2 THR 66 -2.601 8.821 -13.572 493 HG22 THR 66 2HG2 THR 66 -4.195 9.260 -12.957 494 HG23 THR 66 3HG2 THR 66 -3.024 8.478 -11.895 495 H SER 67 H SER 67 0.681 11.658 -13.670 496 HA SER 67 HA SER 67 0.413 14.245 -12.283 497 HB2 SER 67 1HB SER 67 2.563 12.979 -11.815 498 HB3 SER 67 2HB SER 67 2.970 13.209 -13.516 499 HG SER 67 HG SER 67 3.868 14.920 -12.510 500 H GLY 68 H GLY 68 -0.656 15.542 -13.638 501 HA2 GLY 68 1HA GLY 68 0.508 16.150 -16.209 502 HA3 GLY 68 2HA GLY 68 -1.064 15.370 -16.311 503 HA PRO 69 HA PRO 69 -2.821 19.402 -16.099 504 HB2 PRO 69 1HB PRO 69 -5.373 18.687 -15.513 505 HB3 PRO 69 2HB PRO 69 -4.663 18.481 -17.118 506 HG2 PRO 69 1HG PRO 69 -5.025 16.465 -14.935 507 HG3 PRO 69 2HG PRO 69 -5.308 16.291 -16.677 508 HD2 PRO 69 1HD PRO 69 -3.073 15.361 -15.465 509 HD3 PRO 69 2HD PRO 69 -3.074 15.961 -17.135 510 H SER 70 H SER 70 -4.508 20.548 -14.569 511 HA SER 70 HA SER 70 -3.640 20.017 -11.805 512 HB2 SER 70 1HB SER 70 -4.015 22.421 -11.381 513 HB3 SER 70 2HB SER 70 -2.830 22.163 -12.661 514 HG SER 70 HG SER 70 -5.564 22.855 -12.973 515 H SER 71 H SER 71 -5.208 20.752 -10.118 516 HA SER 71 HA SER 71 -7.996 20.837 -10.876 517 HB2 SER 71 1HB SER 71 -8.695 18.837 -9.781 518 HB3 SER 71 2HB SER 71 -7.351 18.379 -10.828 519 HG SER 71 HG SER 71 -7.517 17.826 -8.343 520 H GLY 72 H GLY 72 -9.297 21.718 -9.301 521 HA2 GLY 72 1HA GLY 72 -9.771 22.249 -6.996 522 HA3 GLY 72 2HA GLY 72 -8.039 22.285 -6.696 Start of MODEL 15 1 H1 GLY 1 H GLY 1 3.094 30.962 4.248 2 HA2 GLY 1 1HA GLY 1 4.200 30.334 6.291 3 HA3 GLY 1 2HA GLY 1 2.670 29.691 6.871 4 H SER 2 H SER 2 5.637 28.853 5.727 5 HA SER 2 HA SER 2 4.661 26.300 4.626 6 HB2 SER 2 1HB SER 2 6.790 26.110 3.453 7 HB3 SER 2 2HB SER 2 6.034 27.656 3.064 8 HG SER 2 HG SER 2 8.440 27.264 4.025 9 H SER 3 H SER 3 4.567 24.914 6.292 10 HA SER 3 HA SER 3 6.143 24.952 8.592 11 HB2 SER 3 1HB SER 3 4.708 22.634 7.278 12 HB3 SER 3 2HB SER 3 5.384 22.592 8.906 13 HG SER 3 HG SER 3 3.516 24.555 8.096 14 H GLY 4 H GLY 4 6.565 23.153 5.566 15 HA2 GLY 4 1HA GLY 4 9.346 23.193 5.600 16 HA3 GLY 4 2HA GLY 4 8.856 21.707 6.400 17 H SER 5 H SER 5 7.654 20.142 5.204 18 HA SER 5 HA SER 5 7.733 20.499 2.286 19 HB2 SER 5 1HB SER 5 8.835 18.195 3.890 20 HB3 SER 5 2HB SER 5 8.410 18.027 2.187 21 HG SER 5 HG SER 5 10.608 18.575 2.455 22 H SER 6 H SER 6 6.348 18.969 1.114 23 HA SER 6 HA SER 6 4.078 18.041 2.748 24 HB2 SER 6 1HB SER 6 2.629 18.633 0.759 25 HB3 SER 6 2HB SER 6 3.316 20.010 1.621 26 HG SER 6 HG SER 6 4.254 20.561 -0.164 27 H GLY 7 H GLY 7 3.629 15.951 2.530 28 HA2 GLY 7 1HA GLY 7 4.269 14.616 -0.010 29 HA3 GLY 7 2HA GLY 7 4.896 13.947 1.489 30 H GLU 8 H GLU 8 1.740 15.234 0.434 31 HA GLU 8 HA GLU 8 0.051 13.842 2.000 32 HB2 GLU 8 1HB GLU 8 -1.634 14.068 0.341 33 HB3 GLU 8 2HB GLU 8 -0.558 15.444 0.147 34 HG2 GLU 8 1HG GLU 8 0.507 14.401 -1.746 35 HG3 GLU 8 2HG GLU 8 -0.449 12.939 -1.516 36 HA PRO 9 HA PRO 9 0.465 9.527 1.305 37 HB2 PRO 9 1HB PRO 9 -2.076 8.691 1.769 38 HB3 PRO 9 2HB PRO 9 -0.993 9.234 3.056 39 HG2 PRO 9 1HG PRO 9 -3.177 10.732 1.660 40 HG3 PRO 9 2HG PRO 9 -2.778 10.687 3.387 41 HD2 PRO 9 1HD PRO 9 -2.043 12.734 1.774 42 HD3 PRO 9 2HD PRO 9 -1.063 12.210 3.159 43 H ILE 10 H ILE 10 0.103 7.903 -0.209 44 HA ILE 10 HA ILE 10 -1.310 8.775 -2.633 45 HB ILE 10 HB ILE 10 0.735 6.569 -2.380 46 HG12 ILE 10 1HG1 ILE 10 1.211 9.272 -3.616 47 HG13 ILE 10 2HG1 ILE 10 1.501 8.988 -1.903 48 HG21 ILE 10 1HG2 ILE 10 -0.854 6.377 -4.264 49 HG22 ILE 10 2HG2 ILE 10 -0.337 7.966 -4.826 50 HG23 ILE 10 3HG2 ILE 10 0.811 6.627 -4.790 51 HD11 ILE 10 1HD1 ILE 10 2.788 6.901 -3.243 52 HD12 ILE 10 2HD1 ILE 10 3.153 8.366 -4.156 53 HD13 ILE 10 3HD1 ILE 10 3.525 8.284 -2.434 54 H GLU 11 H GLU 11 -3.251 7.929 -2.953 55 HA GLU 11 HA GLU 11 -4.150 5.609 -1.525 56 HB2 GLU 11 1HB GLU 11 -5.371 7.527 -3.465 57 HB3 GLU 11 2HB GLU 11 -6.172 5.988 -3.177 58 HG2 GLU 11 1HG GLU 11 -6.734 6.518 -1.033 59 HG3 GLU 11 2HG GLU 11 -5.362 7.605 -0.823 60 H ALA 12 H ALA 12 -3.637 3.613 -2.107 61 HA ALA 12 HA ALA 12 -3.393 3.002 -4.982 62 HB1 ALA 12 1HB ALA 12 -1.317 2.828 -3.493 63 HB2 ALA 12 2HB ALA 12 -2.084 1.390 -2.818 64 HB3 ALA 12 3HB ALA 12 -1.698 1.459 -4.537 65 H ILE 13 H ILE 13 -3.731 0.563 -5.387 66 HA ILE 13 HA ILE 13 -6.010 -0.397 -3.787 67 HB ILE 13 HB ILE 13 -5.754 -0.514 -6.794 68 HG12 ILE 13 1HG1 ILE 13 -6.414 1.696 -5.905 69 HG13 ILE 13 2HG1 ILE 13 -7.715 0.934 -6.814 70 HG21 ILE 13 1HG2 ILE 13 -6.876 -2.457 -6.405 71 HG22 ILE 13 2HG2 ILE 13 -7.529 -1.901 -4.865 72 HG23 ILE 13 3HG2 ILE 13 -8.239 -1.338 -6.378 73 HD11 ILE 13 1HD1 ILE 13 -8.990 1.456 -5.069 74 HD12 ILE 13 2HD1 ILE 13 -8.209 0.099 -4.256 75 HD13 ILE 13 3HD1 ILE 13 -7.600 1.737 -4.022 76 H ALA 14 H ALA 14 -6.245 -2.642 -3.601 77 HA ALA 14 HA ALA 14 -3.770 -4.106 -3.752 78 HB1 ALA 14 1HB ALA 14 -5.562 -5.964 -2.974 79 HB2 ALA 14 2HB ALA 14 -4.792 -4.820 -1.874 80 HB3 ALA 14 3HB ALA 14 -6.407 -4.490 -2.500 81 H LYS 15 H LYS 15 -3.112 -5.278 -5.420 82 HA LYS 15 HA LYS 15 -4.802 -5.720 -7.692 83 HB2 LYS 15 1HB LYS 15 -1.950 -6.180 -7.008 84 HB3 LYS 15 2HB LYS 15 -2.634 -7.196 -8.271 85 HG2 LYS 15 1HG LYS 15 -3.490 -4.870 -9.184 86 HG3 LYS 15 2HG LYS 15 -2.113 -4.276 -8.254 87 HD2 LYS 15 1HD LYS 15 -2.065 -6.339 -10.455 88 HD3 LYS 15 2HD LYS 15 -1.413 -4.700 -10.521 89 HE2 LYS 15 1HE LYS 15 -0.460 -6.657 -8.462 90 HE3 LYS 15 2HE LYS 15 0.201 -6.672 -10.096 91 HZ1 LYS 15 1HZ LYS 15 1.180 -4.634 -9.818 92 HZ2 LYS 15 2HZ LYS 15 1.319 -5.255 -8.251 93 HZ3 LYS 15 3HZ LYS 15 0.101 -4.138 -8.612 94 H PHE 16 H PHE 16 -3.604 -7.657 -5.026 95 HA PHE 16 HA PHE 16 -5.555 -9.711 -5.649 96 HB2 PHE 16 1HB PHE 16 -2.750 -10.653 -5.168 97 HB3 PHE 16 2HB PHE 16 -4.095 -11.504 -5.922 98 HD1 PHE 16 2HD PHE 16 -4.736 -10.990 -8.244 99 HD2 PHE 16 1HD PHE 16 -1.290 -9.271 -6.432 100 HE1 PHE 16 2HE PHE 16 -3.881 -10.372 -10.466 101 HE2 PHE 16 1HE PHE 16 -0.430 -8.649 -8.652 102 HZ PHE 16 HZ PHE 16 -1.725 -9.200 -10.673 103 H ASP 17 H ASP 17 -6.239 -10.840 -3.868 104 HA ASP 17 HA ASP 17 -6.080 -9.704 -1.369 105 HB2 ASP 17 1HB ASP 17 -6.689 -12.130 -0.581 106 HB3 ASP 17 2HB ASP 17 -7.819 -11.217 -1.576 107 H TYR 18 H TYR 18 -4.308 -9.326 -0.215 108 HA TYR 18 HA TYR 18 -2.284 -11.460 -0.022 109 HB2 TYR 18 1HB TYR 18 -1.509 -9.378 -1.160 110 HB3 TYR 18 2HB TYR 18 -1.837 -8.488 0.323 111 HD1 TYR 18 2HD TYR 18 -0.554 -9.138 2.418 112 HD2 TYR 18 1HD TYR 18 0.531 -10.502 -1.463 113 HE1 TYR 18 2HE TYR 18 1.699 -9.676 3.244 114 HE2 TYR 18 1HE TYR 18 2.788 -11.044 -0.648 115 HH TYR 18 HH TYR 18 3.819 -11.627 1.662 116 H VAL 19 H VAL 19 -1.448 -11.974 1.985 117 HA VAL 19 HA VAL 19 -2.772 -10.722 4.301 118 HB VAL 19 HB VAL 19 -3.755 -12.900 4.010 119 HG11 VAL 19 1HG1 VAL 19 -1.347 -13.627 2.916 120 HG12 VAL 19 2HG1 VAL 19 -1.350 -14.492 4.454 121 HG13 VAL 19 3HG1 VAL 19 -2.670 -14.725 3.307 122 HG21 VAL 19 1HG2 VAL 19 -3.637 -13.496 6.186 123 HG22 VAL 19 2HG2 VAL 19 -1.875 -13.571 6.183 124 HG23 VAL 19 3HG2 VAL 19 -2.691 -12.013 6.318 125 H GLY 20 H GLY 20 -1.324 -9.679 5.494 126 HA2 GLY 20 1HA GLY 20 1.411 -9.741 5.272 127 HA3 GLY 20 2HA GLY 20 0.567 -9.279 6.743 128 H ARG 21 H ARG 21 2.763 -11.399 5.430 129 HA ARG 21 HA ARG 21 2.195 -13.779 6.849 130 HB2 ARG 21 1HB ARG 21 4.527 -12.669 5.379 131 HB3 ARG 21 2HB ARG 21 4.845 -13.972 6.516 132 HG2 ARG 21 1HG ARG 21 2.621 -14.332 4.587 133 HG3 ARG 21 2HG ARG 21 4.275 -14.429 3.979 134 HD2 ARG 21 1HD ARG 21 4.580 -15.999 6.081 135 HD3 ARG 21 2HD ARG 21 2.839 -16.202 5.890 136 HE ARG 21 HE ARG 21 3.792 -16.632 3.394 137 HH11 ARG 21 2HH1 ARG 21 4.581 -17.942 6.522 138 HH12 ARG 21 1HH1 ARG 21 5.063 -19.485 5.899 139 HH21 ARG 21 2HH2 ARG 21 4.424 -18.660 2.562 140 HH22 ARG 21 1HH2 ARG 21 4.974 -19.892 3.646 141 H THR 22 H THR 22 3.881 -10.834 7.683 142 HA THR 22 HA THR 22 4.292 -11.902 10.399 143 HB THR 22 HB THR 22 6.308 -10.533 10.619 144 HG1 THR 22 1HG THR 22 7.106 -9.752 8.416 145 HG21 THR 22 1HG2 THR 22 6.608 -12.129 8.088 146 HG22 THR 22 2HG2 THR 22 6.328 -12.904 9.648 147 HG23 THR 22 3HG2 THR 22 7.767 -11.915 9.400 148 H ALA 23 H ALA 23 4.607 -10.061 12.017 149 HA ALA 23 HA ALA 23 2.300 -8.519 12.152 150 HB1 ALA 23 1HB ALA 23 4.194 -7.165 13.692 151 HB2 ALA 23 2HB ALA 23 3.070 -8.413 14.233 152 HB3 ALA 23 3HB ALA 23 4.696 -8.856 13.713 153 H ARG 24 H ARG 24 5.534 -7.648 11.006 154 HA ARG 24 HA ARG 24 5.176 -4.915 10.672 155 HB2 ARG 24 1HB ARG 24 6.924 -6.968 9.404 156 HB3 ARG 24 2HB ARG 24 6.824 -5.389 8.638 157 HG2 ARG 24 1HG ARG 24 8.597 -5.042 10.019 158 HG3 ARG 24 2HG ARG 24 7.285 -4.547 11.091 159 HD2 ARG 24 1HD ARG 24 8.165 -7.399 11.068 160 HD3 ARG 24 2HD ARG 24 9.138 -6.202 11.922 161 HE ARG 24 HE ARG 24 6.359 -6.084 12.609 162 HH11 ARG 24 2HH1 ARG 24 9.378 -7.692 13.256 163 HH12 ARG 24 1HH1 ARG 24 8.932 -8.165 14.862 164 HH21 ARG 24 2HH2 ARG 24 5.760 -6.701 14.721 165 HH22 ARG 24 1HH2 ARG 24 6.873 -7.602 15.694 166 H GLU 25 H GLU 25 4.642 -7.509 8.287 167 HA GLU 25 HA GLU 25 3.637 -5.808 6.268 168 HB2 GLU 25 1HB GLU 25 3.653 -8.749 6.756 169 HB3 GLU 25 2HB GLU 25 2.550 -8.119 5.541 170 HG2 GLU 25 1HG GLU 25 5.384 -7.246 5.440 171 HG3 GLU 25 2HG GLU 25 4.997 -8.892 4.941 172 H LEU 26 H LEU 26 1.349 -6.208 5.351 173 HA LEU 26 HA LEU 26 -0.602 -6.188 7.558 174 HB2 LEU 26 1HB LEU 26 -0.689 -4.453 5.095 175 HB3 LEU 26 2HB LEU 26 -1.840 -4.443 6.430 176 HG LEU 26 HG LEU 26 1.061 -3.712 6.771 177 HD11 LEU 26 1HD1 LEU 26 0.272 -2.128 5.213 178 HD12 LEU 26 2HD1 LEU 26 0.168 -1.346 6.790 179 HD13 LEU 26 3HD1 LEU 26 -1.286 -1.988 6.026 180 HD21 LEU 26 1HD2 LEU 26 0.314 -2.703 8.820 181 HD22 LEU 26 2HD2 LEU 26 -0.243 -4.376 8.776 182 HD23 LEU 26 3HD2 LEU 26 -1.369 -3.062 8.433 183 H SER 27 H SER 27 -2.756 -6.842 6.998 184 HA SER 27 HA SER 27 -2.795 -8.694 4.713 185 HB2 SER 27 1HB SER 27 -4.577 -9.893 5.938 186 HB3 SER 27 2HB SER 27 -3.091 -9.787 6.881 187 HG SER 27 HG SER 27 -4.092 -7.894 7.889 188 H PHE 28 H PHE 28 -3.958 -8.099 3.020 189 HA PHE 28 HA PHE 28 -6.453 -6.622 3.444 190 HB2 PHE 28 1HB PHE 28 -5.875 -5.192 1.445 191 HB3 PHE 28 2HB PHE 28 -4.924 -4.872 2.891 192 HD1 PHE 28 1HD PHE 28 -4.857 -6.664 -0.353 193 HD2 PHE 28 2HD PHE 28 -2.596 -4.976 2.834 194 HE1 PHE 28 1HE PHE 28 -2.790 -7.000 -1.645 195 HE2 PHE 28 2HE PHE 28 -0.526 -5.309 1.547 196 HZ PHE 28 HZ PHE 28 -0.621 -6.322 -0.696 197 H LYS 29 H LYS 29 -7.879 -6.664 1.542 198 HA LYS 29 HA LYS 29 -7.576 -9.203 0.096 199 HB2 LYS 29 1HB LYS 29 -9.978 -7.570 0.880 200 HB3 LYS 29 2HB LYS 29 -10.083 -8.815 -0.358 201 HG2 LYS 29 1HG LYS 29 -10.719 -9.993 1.492 202 HG3 LYS 29 2HG LYS 29 -8.983 -10.314 1.484 203 HD2 LYS 29 1HD LYS 29 -9.398 -9.742 3.698 204 HD3 LYS 29 2HD LYS 29 -8.828 -8.224 3.000 205 HE2 LYS 29 1HE LYS 29 -11.393 -7.855 2.546 206 HE3 LYS 29 2HE LYS 29 -11.570 -9.016 3.861 207 HZ1 LYS 29 1HZ LYS 29 -11.384 -6.436 4.293 208 HZ2 LYS 29 2HZ LYS 29 -9.729 -6.786 4.273 209 HZ3 LYS 29 3HZ LYS 29 -10.745 -7.568 5.377 210 H LYS 30 H LYS 30 -8.517 -9.247 -2.130 211 HA LYS 30 HA LYS 30 -7.282 -7.265 -3.738 212 HB2 LYS 30 1HB LYS 30 -7.555 -9.598 -4.470 213 HB3 LYS 30 2HB LYS 30 -9.300 -9.383 -4.506 214 HG2 LYS 30 1HG LYS 30 -8.938 -7.577 -6.214 215 HG3 LYS 30 2HG LYS 30 -7.249 -8.085 -6.279 216 HD2 LYS 30 1HD LYS 30 -9.605 -9.898 -6.796 217 HD3 LYS 30 2HD LYS 30 -8.664 -9.095 -8.055 218 HE2 LYS 30 1HE LYS 30 -6.649 -10.253 -7.271 219 HE3 LYS 30 2HE LYS 30 -7.602 -11.063 -6.029 220 HZ1 LYS 30 1HZ LYS 30 -7.431 -12.586 -7.776 221 HZ2 LYS 30 2HZ LYS 30 -7.740 -11.420 -8.962 222 HZ3 LYS 30 3HZ LYS 30 -8.985 -11.938 -7.941 223 H GLY 31 H GLY 31 -8.018 -5.337 -4.329 224 HA2 GLY 31 1HA GLY 31 -9.678 -3.937 -5.325 225 HA3 GLY 31 2HA GLY 31 -10.919 -4.944 -4.594 226 H ALA 32 H ALA 32 -9.021 -4.759 -2.100 227 HA ALA 32 HA ALA 32 -10.527 -2.720 -0.801 228 HB1 ALA 32 1HB ALA 32 -8.902 -4.875 -0.013 229 HB2 ALA 32 2HB ALA 32 -8.188 -3.424 0.690 230 HB3 ALA 32 3HB ALA 32 -9.876 -3.820 1.012 231 H SER 33 H SER 33 -9.941 -0.683 -0.162 232 HA SER 33 HA SER 33 -7.852 0.581 -1.691 233 HB2 SER 33 1HB SER 33 -10.148 1.580 -1.120 234 HB3 SER 33 2HB SER 33 -9.481 1.894 0.482 235 HG SER 33 HG SER 33 -8.714 2.972 -2.006 236 H LEU 34 H LEU 34 -5.877 1.175 -1.025 237 HA LEU 34 HA LEU 34 -5.246 0.938 1.841 238 HB2 LEU 34 1HB LEU 34 -3.435 0.132 -0.428 239 HB3 LEU 34 2HB LEU 34 -3.095 -0.014 1.295 240 HG LEU 34 HG LEU 34 -5.435 -1.463 0.135 241 HD11 LEU 34 1HD1 LEU 34 -4.151 -2.628 -1.253 242 HD12 LEU 34 2HD1 LEU 34 -3.339 -3.286 0.167 243 HD13 LEU 34 3HD1 LEU 34 -2.682 -1.864 -0.644 244 HD21 LEU 34 1HD2 LEU 34 -5.176 -1.455 2.535 245 HD22 LEU 34 2HD2 LEU 34 -3.505 -2.001 2.390 246 HD23 LEU 34 3HD2 LEU 34 -4.826 -3.068 1.911 247 H LEU 35 H LEU 35 -3.960 2.501 2.703 248 HA LEU 35 HA LEU 35 -3.353 4.776 0.961 249 HB2 LEU 35 1HB LEU 35 -4.662 4.793 3.262 250 HB3 LEU 35 2HB LEU 35 -3.028 4.903 3.913 251 HG LEU 35 HG LEU 35 -2.729 6.926 2.395 252 HD11 LEU 35 1HD1 LEU 35 -4.593 7.998 1.487 253 HD12 LEU 35 2HD1 LEU 35 -5.727 7.011 2.408 254 HD13 LEU 35 3HD1 LEU 35 -4.827 6.301 1.068 255 HD21 LEU 35 1HD2 LEU 35 -3.229 8.251 4.152 256 HD22 LEU 35 2HD2 LEU 35 -3.487 6.709 4.967 257 HD23 LEU 35 3HD2 LEU 35 -4.861 7.604 4.317 258 H LEU 36 H LEU 36 -1.322 5.558 0.669 259 HA LEU 36 HA LEU 36 0.870 4.046 1.930 260 HB2 LEU 36 1HB LEU 36 0.836 5.389 -0.768 261 HB3 LEU 36 2HB LEU 36 2.195 4.512 -0.068 262 HG LEU 36 HG LEU 36 -0.431 3.373 -1.011 263 HD11 LEU 36 1HD1 LEU 36 0.837 3.536 -2.902 264 HD12 LEU 36 2HD1 LEU 36 1.386 1.971 -2.303 265 HD13 LEU 36 3HD1 LEU 36 2.363 3.413 -2.027 266 HD21 LEU 36 1HD2 LEU 36 1.672 2.254 0.768 267 HD22 LEU 36 2HD2 LEU 36 0.931 1.190 -0.428 268 HD23 LEU 36 3HD2 LEU 36 -0.073 1.998 0.777 269 H TYR 37 H TYR 37 2.469 5.145 2.931 270 HA TYR 37 HA TYR 37 2.216 8.074 3.005 271 HB2 TYR 37 1HB TYR 37 3.473 6.197 5.017 272 HB3 TYR 37 2HB TYR 37 3.381 7.947 5.177 273 HD1 TYR 37 1HD TYR 37 0.646 8.533 4.336 274 HD2 TYR 37 2HD TYR 37 2.131 5.317 6.694 275 HE1 TYR 37 1HE TYR 37 -1.551 8.320 5.419 276 HE2 TYR 37 2HE TYR 37 -0.063 5.094 7.782 277 HH TYR 37 HH TYR 37 -2.169 7.070 8.096 278 H GLN 38 H GLN 38 4.650 5.480 3.026 279 HA GLN 38 HA GLN 38 6.372 7.085 1.333 280 HB2 GLN 38 1HB GLN 38 6.958 6.494 4.188 281 HB3 GLN 38 2HB GLN 38 8.290 6.366 3.047 282 HG2 GLN 38 1HG GLN 38 6.572 8.809 3.094 283 HG3 GLN 38 2HG GLN 38 7.869 8.600 4.270 284 HE21 GLN 38 1HE2 GLN 38 9.939 7.678 3.056 285 HE22 GLN 38 2HE2 GLN 38 10.422 8.634 1.701 286 H ARG 39 H ARG 39 8.037 5.874 0.314 287 HA ARG 39 HA ARG 39 7.345 3.088 -0.021 288 HB2 ARG 39 1HB ARG 39 7.866 4.433 -1.987 289 HB3 ARG 39 2HB ARG 39 9.465 4.789 -1.345 290 HG2 ARG 39 1HG ARG 39 9.992 3.114 -2.787 291 HG3 ARG 39 2HG ARG 39 9.667 2.160 -1.339 292 HD2 ARG 39 1HD ARG 39 7.616 1.427 -2.125 293 HD3 ARG 39 2HD ARG 39 7.456 2.772 -3.254 294 HE ARG 39 HE ARG 39 8.827 0.273 -3.703 295 HH11 ARG 39 2HH1 ARG 39 8.449 3.587 -4.699 296 HH12 ARG 39 1HH1 ARG 39 9.053 3.312 -6.300 297 HH21 ARG 39 2HH2 ARG 39 9.624 -0.103 -5.807 298 HH22 ARG 39 1HH2 ARG 39 9.720 1.212 -6.929 299 H ALA 40 H ALA 40 7.975 1.930 1.744 300 HA ALA 40 HA ALA 40 10.234 2.242 3.297 301 HB1 ALA 40 1HB ALA 40 8.160 0.371 3.090 302 HB2 ALA 40 2HB ALA 40 9.658 -0.556 2.999 303 HB3 ALA 40 3HB ALA 40 9.361 0.508 4.374 304 H SER 41 H SER 41 9.853 0.297 0.353 305 HA SER 41 HA SER 41 12.650 0.573 -0.256 306 HB2 SER 41 1HB SER 41 12.396 -1.410 1.398 307 HB3 SER 41 2HB SER 41 11.684 -2.263 0.028 308 HG SER 41 HG SER 41 14.259 -1.067 0.100 309 H ASP 42 H ASP 42 13.186 -0.671 -2.314 310 HA ASP 42 HA ASP 42 11.418 0.078 -4.342 311 HB2 ASP 42 1HB ASP 42 12.857 -1.213 -5.848 312 HB3 ASP 42 2HB ASP 42 13.821 -0.271 -4.714 313 H ASP 43 H ASP 43 11.377 -2.643 -2.293 314 HA ASP 43 HA ASP 43 9.291 -3.878 -3.966 315 HB2 ASP 43 1HB ASP 43 11.547 -5.191 -2.469 316 HB3 ASP 43 2HB ASP 43 10.070 -6.073 -2.846 317 H TRP 44 H TRP 44 9.206 -1.959 -1.691 318 HA TRP 44 HA TRP 44 7.130 -3.296 -0.206 319 HB2 TRP 44 1HB TRP 44 9.690 -2.433 1.142 320 HB3 TRP 44 2HB TRP 44 8.185 -2.688 2.019 321 HD1 TRP 44 HD TRP 44 11.231 -4.463 1.182 322 HE1 TRP 44 1HE TRP 44 10.934 -7.011 1.397 323 HE3 TRP 44 3HE TRP 44 6.126 -4.673 1.374 324 HZ2 TRP 44 2HZ TRP 44 8.817 -8.865 1.618 325 HZ3 TRP 44 3HZ TRP 44 5.044 -6.873 1.587 326 HH2 TRP 44 HH TRP 44 6.363 -8.924 1.706 327 H TRP 45 H TRP 45 6.138 -1.763 1.430 328 HA TRP 45 HA TRP 45 6.570 1.055 0.797 329 HB2 TRP 45 1HB TRP 45 4.060 -0.487 0.245 330 HB3 TRP 45 2HB TRP 45 3.957 1.214 0.690 331 HD1 TRP 45 HD TRP 45 5.308 -1.063 -2.096 332 HE1 TRP 45 1HE TRP 45 5.631 0.356 -4.219 333 HE3 TRP 45 3HE TRP 45 4.319 3.556 -0.142 334 HZ2 TRP 45 2HZ TRP 45 5.486 3.074 -4.966 335 HZ3 TRP 45 3HZ TRP 45 4.433 5.514 -1.628 336 HH2 TRP 45 HH TRP 45 5.005 5.276 -3.989 337 H GLU 46 H GLU 46 5.287 2.491 2.265 338 HA GLU 46 HA GLU 46 4.778 1.201 4.862 339 HB2 GLU 46 1HB GLU 46 6.246 3.799 4.382 340 HB3 GLU 46 2HB GLU 46 5.771 3.192 5.962 341 HG2 GLU 46 1HG GLU 46 7.132 1.074 5.142 342 HG3 GLU 46 2HG GLU 46 7.935 2.291 4.152 343 H GLY 47 H GLY 47 2.589 1.305 4.888 344 HA2 GLY 47 1HA GLY 47 1.422 3.994 4.969 345 HA3 GLY 47 2HA GLY 47 0.729 2.826 3.854 346 H ARG 48 H ARG 48 -1.277 2.928 4.923 347 HA ARG 48 HA ARG 48 -1.362 1.301 7.357 348 HB2 ARG 48 1HB ARG 48 -1.507 3.622 8.108 349 HB3 ARG 48 2HB ARG 48 -2.833 3.916 6.991 350 HG2 ARG 48 1HG ARG 48 -4.049 2.045 8.260 351 HG3 ARG 48 2HG ARG 48 -2.817 2.285 9.500 352 HD2 ARG 48 1HD ARG 48 -4.295 4.643 8.422 353 HD3 ARG 48 2HD ARG 48 -5.085 3.592 9.598 354 HE ARG 48 HE ARG 48 -2.469 4.413 10.422 355 HH11 ARG 48 2HH1 ARG 48 -5.820 5.348 10.284 356 HH12 ARG 48 1HH1 ARG 48 -5.708 6.433 11.631 357 HH21 ARG 48 2HH2 ARG 48 -2.309 5.838 12.196 358 HH22 ARG 48 1HH2 ARG 48 -3.710 6.711 12.717 359 H HIS 49 H HIS 49 -3.327 0.168 7.676 360 HA HIS 49 HA HIS 49 -5.304 0.282 5.530 361 HB2 HIS 49 1HB HIS 49 -3.965 -1.409 4.614 362 HB3 HIS 49 2HB HIS 49 -3.595 -2.101 6.191 363 HD1 HIS 49 1HD HIS 49 -5.008 -4.020 6.931 364 HD2 HIS 49 2HD HIS 49 -6.702 -1.946 3.755 365 HE1 HIS 49 1HE HIS 49 -7.010 -5.374 6.235 366 HE2 HIS 49 2HE HIS 49 -7.969 -4.144 4.257 367 H ASN 50 H ASN 50 -7.287 0.220 6.351 368 HA ASN 50 HA ASN 50 -8.934 0.171 7.942 369 HB2 ASN 50 1HB ASN 50 -8.862 -2.168 7.080 370 HB3 ASN 50 2HB ASN 50 -7.789 -2.590 8.411 371 HD21 ASN 50 1HD2 ASN 50 -8.857 -3.712 9.861 372 HD22 ASN 50 2HD2 ASN 50 -10.454 -3.384 10.432 373 H GLY 51 H GLY 51 -6.526 1.365 8.885 374 HA2 GLY 51 1HA GLY 51 -5.904 2.271 10.927 375 HA3 GLY 51 2HA GLY 51 -7.022 1.170 11.719 376 H ILE 52 H ILE 52 -4.557 0.065 9.502 377 HA ILE 52 HA ILE 52 -2.980 -0.936 11.776 378 HB ILE 52 HB ILE 52 -3.574 -2.542 9.290 379 HG12 ILE 52 1HG1 ILE 52 -5.577 -2.229 10.739 380 HG13 ILE 52 2HG1 ILE 52 -5.042 -3.904 10.651 381 HG21 ILE 52 1HG2 ILE 52 -2.121 -4.083 10.031 382 HG22 ILE 52 2HG2 ILE 52 -1.453 -2.753 10.976 383 HG23 ILE 52 3HG2 ILE 52 -2.601 -3.870 11.714 384 HD11 ILE 52 1HD1 ILE 52 -3.802 -2.537 12.861 385 HD12 ILE 52 2HD1 ILE 52 -5.561 -2.426 12.938 386 HD13 ILE 52 3HD1 ILE 52 -4.779 -4.005 12.845 387 H ASP 53 H ASP 53 -1.024 -0.075 11.656 388 HA ASP 53 HA ASP 53 0.060 0.765 9.089 389 HB2 ASP 53 1HB ASP 53 1.591 2.070 10.287 390 HB3 ASP 53 2HB ASP 53 0.137 2.132 11.280 391 H GLY 54 H GLY 54 1.641 -0.252 8.006 392 HA2 GLY 54 1HA GLY 54 3.591 -1.922 9.218 393 HA3 GLY 54 2HA GLY 54 2.318 -2.898 8.500 394 H LEU 55 H LEU 55 3.595 -3.798 6.908 395 HA LEU 55 HA LEU 55 4.761 -1.937 4.951 396 HB2 LEU 55 1HB LEU 55 5.369 -4.794 5.647 397 HB3 LEU 55 2HB LEU 55 5.929 -4.065 4.144 398 HG LEU 55 HG LEU 55 6.612 -2.986 6.874 399 HD11 LEU 55 1HD1 LEU 55 8.895 -4.088 5.762 400 HD12 LEU 55 2HD1 LEU 55 7.645 -5.297 5.469 401 HD13 LEU 55 3HD1 LEU 55 7.962 -4.737 7.111 402 HD21 LEU 55 1HD2 LEU 55 8.344 -1.778 5.674 403 HD22 LEU 55 2HD2 LEU 55 6.755 -1.393 5.013 404 HD23 LEU 55 3HD2 LEU 55 7.823 -2.503 4.154 405 H ILE 56 H ILE 56 4.431 -2.298 2.716 406 HA ILE 56 HA ILE 56 2.227 -4.113 2.023 407 HB ILE 56 HB ILE 56 2.429 -1.228 1.152 408 HG12 ILE 56 1HG1 ILE 56 0.151 -2.505 2.646 409 HG13 ILE 56 2HG1 ILE 56 1.539 -1.843 3.502 410 HG21 ILE 56 1HG2 ILE 56 -0.035 -2.549 0.478 411 HG22 ILE 56 2HG2 ILE 56 1.098 -1.691 -0.565 412 HG23 ILE 56 3HG2 ILE 56 1.339 -3.404 -0.222 413 HD11 ILE 56 1HD1 ILE 56 1.053 0.333 2.846 414 HD12 ILE 56 2HD1 ILE 56 0.006 -0.198 1.530 415 HD13 ILE 56 3HD1 ILE 56 -0.525 -0.367 3.203 416 HA PRO 57 HA PRO 57 5.135 -5.228 -1.141 417 HB2 PRO 57 1HB PRO 57 3.500 -6.942 -2.468 418 HB3 PRO 57 2HB PRO 57 4.289 -7.355 -0.941 419 HG2 PRO 57 1HG PRO 57 1.486 -6.427 -1.435 420 HG3 PRO 57 2HG PRO 57 2.066 -7.712 -0.359 421 HD2 PRO 57 1HD PRO 57 1.398 -5.247 0.542 422 HD3 PRO 57 2HD PRO 57 2.675 -6.225 1.294 423 H HIS 58 H HIS 58 5.604 -4.446 -3.122 424 HA HIS 58 HA HIS 58 3.706 -2.652 -4.369 425 HB2 HIS 58 1HB HIS 58 6.075 -2.007 -4.143 426 HB3 HIS 58 2HB HIS 58 6.536 -3.361 -5.170 427 HD2 HIS 58 2HD HIS 58 5.848 -3.048 -7.919 428 HE1 HIS 58 1HE HIS 58 5.060 1.106 -7.578 429 HE2 HIS 58 2HE HIS 58 5.345 -0.834 -9.158 430 H GLN 59 H GLN 59 4.133 -5.884 -4.506 431 HA GLN 59 HA GLN 59 3.710 -6.136 -7.388 432 HB2 GLN 59 1HB GLN 59 4.402 -8.064 -5.198 433 HB3 GLN 59 2HB GLN 59 3.733 -8.657 -6.712 434 HG2 GLN 59 1HG GLN 59 6.090 -6.826 -6.735 435 HG3 GLN 59 2HG GLN 59 6.300 -8.541 -6.388 436 HE21 GLN 59 1HE2 GLN 59 5.802 -6.175 -8.785 437 HE22 GLN 59 2HE2 GLN 59 5.718 -7.235 -10.147 438 H TYR 60 H TYR 60 2.031 -6.377 -4.360 439 HA TYR 60 HA TYR 60 -0.353 -7.417 -5.731 440 HB2 TYR 60 1HB TYR 60 0.263 -7.274 -2.772 441 HB3 TYR 60 2HB TYR 60 -1.204 -7.943 -3.477 442 HD1 TYR 60 2HD TYR 60 2.505 -8.350 -3.653 443 HD2 TYR 60 1HD TYR 60 -1.310 -10.223 -3.848 444 HE1 TYR 60 2HE TYR 60 3.599 -10.547 -3.827 445 HE2 TYR 60 1HE TYR 60 -0.228 -12.425 -4.022 446 HH TYR 60 HH TYR 60 1.804 -13.441 -4.543 447 H ILE 61 H ILE 61 0.698 -4.614 -5.736 448 HA ILE 61 HA ILE 61 -1.835 -3.330 -5.145 449 HB ILE 61 HB ILE 61 -0.892 -1.540 -3.810 450 HG12 ILE 61 1HG1 ILE 61 1.514 -2.144 -2.860 451 HG13 ILE 61 2HG1 ILE 61 1.661 -2.966 -4.410 452 HG21 ILE 61 1HG2 ILE 61 -1.701 -3.737 -2.792 453 HG22 ILE 61 2HG2 ILE 61 0.003 -4.097 -2.519 454 HG23 ILE 61 3HG2 ILE 61 -0.730 -2.679 -1.769 455 HD11 ILE 61 1HD1 ILE 61 0.717 -0.580 -5.220 456 HD12 ILE 61 2HD1 ILE 61 1.620 -0.099 -3.783 457 HD13 ILE 61 3HD1 ILE 61 2.430 -0.972 -5.083 458 H VAL 62 H VAL 62 -2.083 -1.285 -6.166 459 HA VAL 62 HA VAL 62 -0.049 -0.717 -8.224 460 HB VAL 62 HB VAL 62 -3.048 -0.459 -8.499 461 HG11 VAL 62 1HG1 VAL 62 -2.765 0.726 -10.381 462 HG12 VAL 62 2HG1 VAL 62 -1.161 1.080 -9.735 463 HG13 VAL 62 3HG1 VAL 62 -1.377 -0.235 -10.891 464 HG21 VAL 62 1HG2 VAL 62 -1.194 -2.617 -9.046 465 HG22 VAL 62 2HG2 VAL 62 -2.957 -2.617 -9.051 466 HG23 VAL 62 3HG2 VAL 62 -2.072 -2.120 -10.492 467 H VAL 63 H VAL 63 0.971 1.025 -7.397 468 HA VAL 63 HA VAL 63 -0.159 3.031 -5.813 469 HB VAL 63 HB VAL 63 2.268 3.094 -7.604 470 HG11 VAL 63 1HG1 VAL 63 2.562 5.058 -5.659 471 HG12 VAL 63 2HG1 VAL 63 2.277 5.309 -7.383 472 HG13 VAL 63 3HG1 VAL 63 0.917 5.267 -6.259 473 HG21 VAL 63 1HG2 VAL 63 3.202 3.235 -5.094 474 HG22 VAL 63 2HG2 VAL 63 1.719 2.326 -4.803 475 HG23 VAL 63 3HG2 VAL 63 2.923 1.710 -5.935 476 H GLN 64 H GLN 64 -2.021 3.940 -6.566 477 HA GLN 64 HA GLN 64 -2.129 5.000 -9.272 478 HB2 GLN 64 1HB GLN 64 -4.234 5.128 -7.109 479 HB3 GLN 64 2HB GLN 64 -4.463 5.442 -8.824 480 HG2 GLN 64 1HG GLN 64 -3.569 2.978 -9.049 481 HG3 GLN 64 2HG GLN 64 -4.153 2.862 -7.389 482 HE21 GLN 64 1HE2 GLN 64 -5.460 1.217 -8.730 483 HE22 GLN 64 2HE2 GLN 64 -6.992 1.779 -9.298 484 H ASP 65 H ASP 65 -0.755 6.747 -9.301 485 HA ASP 65 HA ASP 65 -0.919 8.803 -7.281 486 HB2 ASP 65 1HB ASP 65 0.668 9.983 -8.975 487 HB3 ASP 65 2HB ASP 65 1.253 8.579 -8.086 488 H THR 66 H THR 66 -3.392 8.423 -8.471 489 HA THR 66 HA THR 66 -3.927 10.178 -10.618 490 HB THR 66 HB THR 66 -6.320 10.070 -9.758 491 HG1 THR 66 1HG THR 66 -6.423 9.456 -7.730 492 HG21 THR 66 1HG2 THR 66 -6.661 7.990 -10.722 493 HG22 THR 66 2HG2 THR 66 -5.192 7.310 -10.023 494 HG23 THR 66 3HG2 THR 66 -5.085 8.438 -11.374 495 H SER 67 H SER 67 -5.346 12.118 -10.452 496 HA SER 67 HA SER 67 -5.227 13.626 -7.989 497 HB2 SER 67 1HB SER 67 -4.055 15.561 -9.067 498 HB3 SER 67 2HB SER 67 -3.029 14.144 -8.849 499 HG SER 67 HG SER 67 -2.814 14.007 -10.932 500 H GLY 68 H GLY 68 -6.234 15.845 -8.309 501 HA2 GLY 68 1HA GLY 68 -8.425 15.595 -10.274 502 HA3 GLY 68 2HA GLY 68 -8.590 16.364 -8.703 503 HA PRO 69 HA PRO 69 -8.016 19.775 -11.719 504 HB2 PRO 69 1HB PRO 69 -9.703 21.473 -10.438 505 HB3 PRO 69 2HB PRO 69 -10.259 20.260 -11.597 506 HG2 PRO 69 1HG PRO 69 -10.252 20.158 -8.605 507 HG3 PRO 69 2HG PRO 69 -11.518 19.652 -9.739 508 HD2 PRO 69 1HD PRO 69 -9.830 17.893 -8.562 509 HD3 PRO 69 2HD PRO 69 -10.485 17.642 -10.193 510 H SER 70 H SER 70 -7.049 19.122 -8.641 511 HA SER 70 HA SER 70 -6.460 21.304 -7.226 512 HB2 SER 70 1HB SER 70 -4.382 19.229 -7.968 513 HB3 SER 70 2HB SER 70 -4.339 20.283 -6.554 514 HG SER 70 HG SER 70 -6.011 18.092 -7.097 515 H SER 71 H SER 71 -4.608 20.326 -10.102 516 HA SER 71 HA SER 71 -3.982 23.118 -10.626 517 HB2 SER 71 1HB SER 71 -1.650 22.924 -10.581 518 HB3 SER 71 2HB SER 71 -2.145 22.008 -9.158 519 HG SER 71 HG SER 71 -0.837 21.167 -11.373 520 H GLY 72 H GLY 72 -4.235 23.515 -12.722 521 HA2 GLY 72 1HA GLY 72 -4.183 21.224 -14.577 522 HA3 GLY 72 2HA GLY 72 -5.117 22.693 -14.818 Start of MODEL 16 1 H1 GLY 1 H GLY 1 9.370 35.222 4.116 2 HA2 GLY 1 1HA GLY 1 7.605 34.021 3.236 3 HA3 GLY 1 2HA GLY 1 8.479 34.270 1.732 4 H SER 2 H SER 2 6.862 31.985 3.018 5 HA SER 2 HA SER 2 8.659 29.883 2.091 6 HB2 SER 2 1HB SER 2 7.581 30.116 4.876 7 HB3 SER 2 2HB SER 2 7.785 28.516 4.164 8 HG SER 2 HG SER 2 9.861 30.433 4.159 9 H SER 3 H SER 3 7.612 28.064 1.293 10 HA SER 3 HA SER 3 4.821 28.488 0.609 11 HB2 SER 3 1HB SER 3 6.871 26.460 -0.292 12 HB3 SER 3 2HB SER 3 5.188 26.423 -0.816 13 HG SER 3 HG SER 3 6.933 27.649 -2.084 14 H GLY 4 H GLY 4 6.690 25.682 1.794 15 HA2 GLY 4 1HA GLY 4 5.984 24.638 3.903 16 HA3 GLY 4 2HA GLY 4 4.326 24.947 3.408 17 H SER 5 H SER 5 6.973 22.787 3.275 18 HA SER 5 HA SER 5 6.336 21.251 1.027 19 HB2 SER 5 1HB SER 5 8.413 21.135 2.557 20 HB3 SER 5 2HB SER 5 7.447 20.050 3.555 21 HG SER 5 HG SER 5 8.574 18.803 2.103 22 H SER 6 H SER 6 5.286 19.197 0.865 23 HA SER 6 HA SER 6 3.645 18.183 2.966 24 HB2 SER 6 1HB SER 6 1.459 18.654 1.982 25 HB3 SER 6 2HB SER 6 2.305 20.163 2.324 26 HG SER 6 HG SER 6 2.220 18.881 -0.208 27 H GLY 7 H GLY 7 3.715 16.066 2.646 28 HA2 GLY 7 1HA GLY 7 3.779 15.078 -0.138 29 HA3 GLY 7 2HA GLY 7 4.596 14.287 1.202 30 H GLU 8 H GLU 8 1.292 15.474 0.556 31 HA GLU 8 HA GLU 8 -0.206 13.915 2.131 32 HB2 GLU 8 1HB GLU 8 -0.725 14.481 -0.791 33 HB3 GLU 8 2HB GLU 8 -1.931 13.841 0.317 34 HG2 GLU 8 1HG GLU 8 -1.366 15.937 1.736 35 HG3 GLU 8 2HG GLU 8 -0.701 16.557 0.226 36 HA PRO 9 HA PRO 9 0.402 9.655 1.267 37 HB2 PRO 9 1HB PRO 9 -2.069 8.658 1.788 38 HB3 PRO 9 2HB PRO 9 -0.974 9.221 3.056 39 HG2 PRO 9 1HG PRO 9 -3.288 10.635 1.787 40 HG3 PRO 9 2HG PRO 9 -2.825 10.558 3.497 41 HD2 PRO 9 1HD PRO 9 -2.266 12.695 1.931 42 HD3 PRO 9 2HD PRO 9 -1.208 12.184 3.263 43 H ILE 10 H ILE 10 -0.068 7.968 -0.212 44 HA ILE 10 HA ILE 10 -1.543 8.874 -2.592 45 HB ILE 10 HB ILE 10 0.604 6.757 -2.423 46 HG12 ILE 10 1HG1 ILE 10 0.812 9.511 -3.644 47 HG13 ILE 10 2HG1 ILE 10 1.339 9.147 -2.005 48 HG21 ILE 10 1HG2 ILE 10 -0.321 8.047 -4.949 49 HG22 ILE 10 2HG2 ILE 10 0.425 6.469 -4.700 50 HG23 ILE 10 3HG2 ILE 10 -1.260 6.728 -4.250 51 HD11 ILE 10 1HD1 ILE 10 2.946 9.069 -4.149 52 HD12 ILE 10 2HD1 ILE 10 3.197 8.094 -2.700 53 HD13 ILE 10 3HD1 ILE 10 2.404 7.391 -4.110 54 H GLU 11 H GLU 11 -3.441 7.948 -2.939 55 HA GLU 11 HA GLU 11 -4.264 5.611 -1.494 56 HB2 GLU 11 1HB GLU 11 -5.564 7.406 -3.519 57 HB3 GLU 11 2HB GLU 11 -6.324 5.890 -3.055 58 HG2 GLU 11 1HG GLU 11 -6.695 6.590 -0.880 59 HG3 GLU 11 2HG GLU 11 -5.465 7.850 -0.971 60 H ALA 12 H ALA 12 -3.677 3.631 -2.061 61 HA ALA 12 HA ALA 12 -3.380 3.012 -4.927 62 HB1 ALA 12 1HB ALA 12 -1.438 2.804 -3.087 63 HB2 ALA 12 2HB ALA 12 -2.157 1.199 -2.944 64 HB3 ALA 12 3HB ALA 12 -1.549 1.758 -4.503 65 H ILE 13 H ILE 13 -3.854 0.725 -5.504 66 HA ILE 13 HA ILE 13 -6.109 -0.312 -3.912 67 HB ILE 13 HB ILE 13 -5.771 -0.432 -6.911 68 HG12 ILE 13 1HG1 ILE 13 -6.397 1.802 -6.086 69 HG13 ILE 13 2HG1 ILE 13 -7.715 1.055 -6.983 70 HG21 ILE 13 1HG2 ILE 13 -8.381 -1.106 -6.226 71 HG22 ILE 13 2HG2 ILE 13 -7.123 -2.194 -6.809 72 HG23 ILE 13 3HG2 ILE 13 -7.371 -1.982 -5.077 73 HD11 ILE 13 1HD1 ILE 13 -8.763 2.001 -5.150 74 HD12 ILE 13 2HD1 ILE 13 -8.570 0.313 -4.675 75 HD13 ILE 13 3HD1 ILE 13 -7.470 1.539 -4.045 76 H ALA 14 H ALA 14 -6.220 -2.488 -3.534 77 HA ALA 14 HA ALA 14 -3.776 -3.970 -3.776 78 HB1 ALA 14 1HB ALA 14 -5.475 -4.045 -1.855 79 HB2 ALA 14 2HB ALA 14 -6.392 -5.138 -2.893 80 HB3 ALA 14 3HB ALA 14 -4.758 -5.566 -2.388 81 H LYS 15 H LYS 15 -3.177 -5.071 -5.511 82 HA LYS 15 HA LYS 15 -4.944 -5.606 -7.680 83 HB2 LYS 15 1HB LYS 15 -2.075 -6.074 -7.078 84 HB3 LYS 15 2HB LYS 15 -2.806 -7.111 -8.296 85 HG2 LYS 15 1HG LYS 15 -3.677 -4.785 -9.218 86 HG3 LYS 15 2HG LYS 15 -2.246 -4.202 -8.364 87 HD2 LYS 15 1HD LYS 15 -2.020 -6.566 -10.177 88 HD3 LYS 15 2HD LYS 15 -2.083 -4.944 -10.869 89 HE2 LYS 15 1HE LYS 15 -0.178 -4.293 -9.448 90 HE3 LYS 15 2HE LYS 15 -0.101 -5.940 -8.823 91 HZ1 LYS 15 1HZ LYS 15 1.427 -6.067 -10.482 92 HZ2 LYS 15 2HZ LYS 15 0.663 -4.912 -11.454 93 HZ3 LYS 15 3HZ LYS 15 0.051 -6.487 -11.372 94 H PHE 16 H PHE 16 -3.471 -7.595 -5.153 95 HA PHE 16 HA PHE 16 -5.497 -9.643 -5.670 96 HB2 PHE 16 1HB PHE 16 -2.697 -10.532 -5.091 97 HB3 PHE 16 2HB PHE 16 -4.004 -11.410 -5.879 98 HD1 PHE 16 2HD PHE 16 -4.485 -11.080 -8.232 99 HD2 PHE 16 1HD PHE 16 -1.290 -9.015 -6.322 100 HE1 PHE 16 2HE PHE 16 -3.556 -10.488 -10.433 101 HE2 PHE 16 1HE PHE 16 -0.357 -8.419 -8.519 102 HZ PHE 16 HZ PHE 16 -1.489 -9.156 -10.578 103 H ASP 17 H ASP 17 -5.944 -11.007 -3.874 104 HA ASP 17 HA ASP 17 -5.936 -9.706 -1.390 105 HB2 ASP 17 1HB ASP 17 -6.771 -11.850 -0.482 106 HB3 ASP 17 2HB ASP 17 -7.616 -11.375 -1.953 107 H TYR 18 H TYR 18 -4.152 -9.259 -0.272 108 HA TYR 18 HA TYR 18 -2.073 -11.333 -0.061 109 HB2 TYR 18 1HB TYR 18 -1.404 -9.151 -1.103 110 HB3 TYR 18 2HB TYR 18 -1.754 -8.368 0.434 111 HD1 TYR 18 2HD TYR 18 -0.377 -8.920 2.436 112 HD2 TYR 18 1HD TYR 18 0.623 -10.350 -1.444 113 HE1 TYR 18 2HE TYR 18 1.902 -9.420 3.214 114 HE2 TYR 18 1HE TYR 18 2.904 -10.855 -0.677 115 HH TYR 18 HH TYR 18 4.249 -11.025 1.114 116 H VAL 19 H VAL 19 -1.163 -11.794 1.957 117 HA VAL 19 HA VAL 19 -2.600 -10.714 4.290 118 HB VAL 19 HB VAL 19 -3.480 -12.939 3.848 119 HG11 VAL 19 1HG1 VAL 19 -1.241 -13.636 2.721 120 HG12 VAL 19 2HG1 VAL 19 -0.798 -14.159 4.347 121 HG13 VAL 19 3HG1 VAL 19 -2.214 -14.848 3.553 122 HG21 VAL 19 1HG2 VAL 19 -2.851 -14.021 6.024 123 HG22 VAL 19 2HG2 VAL 19 -1.654 -12.743 6.237 124 HG23 VAL 19 3HG2 VAL 19 -3.368 -12.339 6.152 125 H GLY 20 H GLY 20 -1.167 -9.603 5.447 126 HA2 GLY 20 1HA GLY 20 1.574 -9.651 5.276 127 HA3 GLY 20 2HA GLY 20 0.698 -9.160 6.718 128 H ARG 21 H ARG 21 2.749 -11.481 5.327 129 HA ARG 21 HA ARG 21 2.226 -13.769 6.817 130 HB2 ARG 21 1HB ARG 21 4.609 -12.650 5.440 131 HB3 ARG 21 2HB ARG 21 4.890 -13.945 6.596 132 HG2 ARG 21 1HG ARG 21 2.926 -14.140 4.327 133 HG3 ARG 21 2HG ARG 21 4.604 -14.677 4.225 134 HD2 ARG 21 1HD ARG 21 2.555 -15.679 6.199 135 HD3 ARG 21 2HD ARG 21 3.070 -16.524 4.740 136 HE ARG 21 HE ARG 21 5.351 -15.986 6.234 137 HH11 ARG 21 2HH1 ARG 21 2.427 -17.854 6.525 138 HH12 ARG 21 1HH1 ARG 21 3.146 -19.063 7.536 139 HH21 ARG 21 2HH2 ARG 21 6.308 -17.572 7.566 140 HH22 ARG 21 1HH2 ARG 21 5.353 -18.901 8.129 141 H THR 22 H THR 22 4.144 -10.919 7.640 142 HA THR 22 HA THR 22 4.354 -11.942 10.397 143 HB THR 22 HB THR 22 6.357 -10.532 10.666 144 HG1 THR 22 1HG THR 22 7.227 -9.867 8.437 145 HG21 THR 22 1HG2 THR 22 6.262 -12.647 8.555 146 HG22 THR 22 2HG2 THR 22 6.984 -12.699 10.163 147 HG23 THR 22 3HG2 THR 22 7.775 -11.799 8.870 148 H ALA 23 H ALA 23 4.067 -10.466 12.111 149 HA ALA 23 HA ALA 23 1.949 -8.814 12.110 150 HB1 ALA 23 1HB ALA 23 2.541 -8.536 14.229 151 HB2 ALA 23 2HB ALA 23 4.087 -9.304 13.868 152 HB3 ALA 23 3HB ALA 23 3.925 -7.552 13.751 153 H ARG 24 H ARG 24 5.255 -7.827 11.281 154 HA ARG 24 HA ARG 24 4.871 -5.108 10.967 155 HB2 ARG 24 1HB ARG 24 6.710 -7.087 9.676 156 HB3 ARG 24 2HB ARG 24 6.674 -5.432 9.083 157 HG2 ARG 24 1HG ARG 24 7.052 -6.016 11.994 158 HG3 ARG 24 2HG ARG 24 8.408 -6.065 10.865 159 HD2 ARG 24 1HD ARG 24 8.156 -3.783 10.314 160 HD3 ARG 24 2HD ARG 24 6.567 -3.698 11.074 161 HE ARG 24 HE ARG 24 9.106 -3.397 12.354 162 HH11 ARG 24 2HH1 ARG 24 5.811 -4.418 12.821 163 HH12 ARG 24 1HH1 ARG 24 5.822 -4.114 14.527 164 HH21 ARG 24 2HH2 ARG 24 9.132 -2.992 14.598 165 HH22 ARG 24 1HH2 ARG 24 7.711 -3.302 15.536 166 H GLU 25 H GLU 25 4.565 -7.625 8.460 167 HA GLU 25 HA GLU 25 3.667 -5.887 6.431 168 HB2 GLU 25 1HB GLU 25 3.341 -8.865 6.800 169 HB3 GLU 25 2HB GLU 25 2.827 -8.010 5.353 170 HG2 GLU 25 1HG GLU 25 5.066 -7.377 4.840 171 HG3 GLU 25 2HG GLU 25 5.647 -7.974 6.394 172 H LEU 26 H LEU 26 1.484 -6.051 5.391 173 HA LEU 26 HA LEU 26 -0.610 -6.096 7.463 174 HB2 LEU 26 1HB LEU 26 -0.517 -4.467 4.928 175 HB3 LEU 26 2HB LEU 26 -1.804 -4.437 6.132 176 HG LEU 26 HG LEU 26 1.038 -3.588 6.676 177 HD11 LEU 26 1HD1 LEU 26 0.332 -1.977 5.172 178 HD12 LEU 26 2HD1 LEU 26 -0.132 -1.282 6.724 179 HD13 LEU 26 3HD1 LEU 26 -1.346 -2.061 5.710 180 HD21 LEU 26 1HD2 LEU 26 -1.312 -2.726 8.276 181 HD22 LEU 26 2HD2 LEU 26 0.360 -2.991 8.771 182 HD23 LEU 26 3HD2 LEU 26 -0.710 -4.368 8.502 183 H SER 27 H SER 27 -2.670 -6.903 6.904 184 HA SER 27 HA SER 27 -2.630 -8.729 4.593 185 HB2 SER 27 1HB SER 27 -4.355 -10.033 5.874 186 HB3 SER 27 2HB SER 27 -2.774 -9.970 6.653 187 HG SER 27 HG SER 27 -3.625 -8.919 8.263 188 H PHE 28 H PHE 28 -3.861 -8.121 2.955 189 HA PHE 28 HA PHE 28 -6.439 -6.832 3.517 190 HB2 PHE 28 1HB PHE 28 -6.004 -5.424 1.422 191 HB3 PHE 28 2HB PHE 28 -5.128 -4.976 2.882 192 HD1 PHE 28 1HD PHE 28 -4.828 -6.703 -0.367 193 HD2 PHE 28 2HD PHE 28 -2.775 -5.004 2.951 194 HE1 PHE 28 1HE PHE 28 -2.703 -6.881 -1.595 195 HE2 PHE 28 2HE PHE 28 -0.647 -5.178 1.729 196 HZ PHE 28 HZ PHE 28 -0.609 -6.117 -0.548 197 H LYS 29 H LYS 29 -7.710 -6.688 1.318 198 HA LYS 29 HA LYS 29 -7.386 -9.261 -0.082 199 HB2 LYS 29 1HB LYS 29 -9.941 -7.903 0.790 200 HB3 LYS 29 2HB LYS 29 -9.884 -9.288 -0.293 201 HG2 LYS 29 1HG LYS 29 -8.806 -9.277 2.518 202 HG3 LYS 29 2HG LYS 29 -10.400 -9.876 2.052 203 HD2 LYS 29 1HD LYS 29 -9.220 -11.438 0.463 204 HD3 LYS 29 2HD LYS 29 -7.707 -10.950 1.230 205 HE2 LYS 29 1HE LYS 29 -10.029 -12.012 2.813 206 HE3 LYS 29 2HE LYS 29 -8.835 -13.082 2.080 207 HZ1 LYS 29 1HZ LYS 29 -7.644 -12.769 3.910 208 HZ2 LYS 29 2HZ LYS 29 -8.637 -11.511 4.450 209 HZ3 LYS 29 3HZ LYS 29 -7.360 -11.185 3.390 210 H LYS 30 H LYS 30 -7.880 -9.313 -2.282 211 HA LYS 30 HA LYS 30 -7.120 -7.254 -3.878 212 HB2 LYS 30 1HB LYS 30 -7.514 -9.534 -4.695 213 HB3 LYS 30 2HB LYS 30 -9.250 -9.301 -4.529 214 HG2 LYS 30 1HG LYS 30 -9.214 -7.584 -6.236 215 HG3 LYS 30 2HG LYS 30 -7.459 -7.724 -6.368 216 HD2 LYS 30 1HD LYS 30 -7.601 -9.891 -7.291 217 HD3 LYS 30 2HD LYS 30 -9.297 -10.060 -6.829 218 HE2 LYS 30 1HE LYS 30 -9.742 -8.093 -8.388 219 HE3 LYS 30 2HE LYS 30 -8.108 -8.351 -8.998 220 HZ1 LYS 30 1HZ LYS 30 -10.201 -10.453 -8.950 221 HZ2 LYS 30 2HZ LYS 30 -8.690 -10.533 -9.705 222 HZ3 LYS 30 3HZ LYS 30 -9.875 -9.481 -10.296 223 H GLY 31 H GLY 31 -7.935 -5.380 -4.616 224 HA2 GLY 31 1HA GLY 31 -9.602 -3.858 -5.263 225 HA3 GLY 31 2HA GLY 31 -10.805 -4.885 -4.499 226 H ALA 32 H ALA 32 -9.176 -5.039 -2.013 227 HA ALA 32 HA ALA 32 -10.413 -3.051 -0.531 228 HB1 ALA 32 1HB ALA 32 -7.772 -4.236 0.266 229 HB2 ALA 32 2HB ALA 32 -9.119 -3.747 1.294 230 HB3 ALA 32 3HB ALA 32 -9.261 -5.181 0.278 231 H SER 33 H SER 33 -10.005 -0.969 -0.097 232 HA SER 33 HA SER 33 -7.968 0.397 -1.582 233 HB2 SER 33 1HB SER 33 -10.255 1.334 -1.098 234 HB3 SER 33 2HB SER 33 -9.752 1.536 0.580 235 HG SER 33 HG SER 33 -8.827 2.856 -1.728 236 H LEU 34 H LEU 34 -6.004 1.020 -0.937 237 HA LEU 34 HA LEU 34 -5.364 0.895 1.932 238 HB2 LEU 34 1HB LEU 34 -3.488 0.058 -0.267 239 HB3 LEU 34 2HB LEU 34 -3.245 -0.103 1.471 240 HG LEU 34 HG LEU 34 -5.541 -1.531 0.223 241 HD11 LEU 34 1HD1 LEU 34 -3.662 -1.990 -1.284 242 HD12 LEU 34 2HD1 LEU 34 -4.135 -3.418 -0.364 243 HD13 LEU 34 3HD1 LEU 34 -2.693 -2.512 0.094 244 HD21 LEU 34 1HD2 LEU 34 -5.407 -1.707 2.569 245 HD22 LEU 34 2HD2 LEU 34 -3.665 -1.986 2.529 246 HD23 LEU 34 3HD2 LEU 34 -4.771 -3.229 1.942 247 H LEU 35 H LEU 35 -4.061 2.492 2.722 248 HA LEU 35 HA LEU 35 -3.517 4.715 0.896 249 HB2 LEU 35 1HB LEU 35 -4.769 4.794 3.225 250 HB3 LEU 35 2HB LEU 35 -3.121 4.928 3.836 251 HG LEU 35 HG LEU 35 -2.901 6.897 2.184 252 HD11 LEU 35 1HD1 LEU 35 -4.943 6.475 0.931 253 HD12 LEU 35 2HD1 LEU 35 -5.001 8.055 1.711 254 HD13 LEU 35 3HD1 LEU 35 -5.902 6.702 2.394 255 HD21 LEU 35 1HD2 LEU 35 -3.234 8.291 3.934 256 HD22 LEU 35 2HD2 LEU 35 -3.365 6.770 4.819 257 HD23 LEU 35 3HD2 LEU 35 -4.823 7.622 4.308 258 H LEU 36 H LEU 36 -1.498 5.654 0.695 259 HA LEU 36 HA LEU 36 0.739 4.107 1.831 260 HB2 LEU 36 1HB LEU 36 0.668 5.578 -0.799 261 HB3 LEU 36 2HB LEU 36 2.021 4.645 -0.162 262 HG LEU 36 HG LEU 36 -0.626 3.605 -1.155 263 HD11 LEU 36 1HD1 LEU 36 2.183 3.595 -2.142 264 HD12 LEU 36 2HD1 LEU 36 0.677 3.853 -3.022 265 HD13 LEU 36 3HD1 LEU 36 1.137 2.226 -2.518 266 HD21 LEU 36 1HD2 LEU 36 1.507 2.290 0.483 267 HD22 LEU 36 2HD2 LEU 36 0.544 1.353 -0.660 268 HD23 LEU 36 3HD2 LEU 36 -0.246 2.213 0.662 269 H TYR 37 H TYR 37 2.393 5.197 2.782 270 HA TYR 37 HA TYR 37 2.093 8.121 2.974 271 HB2 TYR 37 1HB TYR 37 3.320 6.190 4.955 272 HB3 TYR 37 2HB TYR 37 3.247 7.937 5.154 273 HD1 TYR 37 1HD TYR 37 0.489 8.483 4.202 274 HD2 TYR 37 2HD TYR 37 1.990 5.381 6.698 275 HE1 TYR 37 1HE TYR 37 -1.721 8.273 5.260 276 HE2 TYR 37 2HE TYR 37 -0.217 5.162 7.762 277 HH TYR 37 HH TYR 37 -2.417 7.231 7.875 278 H GLN 38 H GLN 38 4.521 5.521 2.941 279 HA GLN 38 HA GLN 38 6.255 7.144 1.289 280 HB2 GLN 38 1HB GLN 38 6.899 6.455 4.133 281 HB3 GLN 38 2HB GLN 38 8.193 6.576 2.949 282 HG2 GLN 38 1HG GLN 38 7.042 8.879 2.418 283 HG3 GLN 38 2HG GLN 38 6.433 8.693 4.062 284 HE21 GLN 38 1HE2 GLN 38 8.454 10.508 2.736 285 HE22 GLN 38 2HE2 GLN 38 9.845 10.405 3.755 286 H ARG 39 H ARG 39 7.902 5.947 0.255 287 HA ARG 39 HA ARG 39 7.264 3.141 -0.027 288 HB2 ARG 39 1HB ARG 39 7.725 4.481 -2.018 289 HB3 ARG 39 2HB ARG 39 9.333 4.857 -1.412 290 HG2 ARG 39 1HG ARG 39 9.863 3.170 -2.830 291 HG3 ARG 39 2HG ARG 39 9.538 2.219 -1.380 292 HD2 ARG 39 1HD ARG 39 7.492 1.480 -2.164 293 HD3 ARG 39 2HD ARG 39 7.319 2.831 -3.284 294 HE ARG 39 HE ARG 39 8.625 0.327 -3.783 295 HH11 ARG 39 2HH1 ARG 39 8.495 3.694 -4.660 296 HH12 ARG 39 1HH1 ARG 39 9.152 3.442 -6.243 297 HH21 ARG 39 2HH2 ARG 39 9.492 -0.018 -5.865 298 HH22 ARG 39 1HH2 ARG 39 9.718 1.330 -6.927 299 H ALA 40 H ALA 40 8.051 1.762 1.425 300 HA ALA 40 HA ALA 40 10.363 2.242 2.994 301 HB1 ALA 40 1HB ALA 40 9.911 0.230 4.047 302 HB2 ALA 40 2HB ALA 40 8.317 0.732 3.479 303 HB3 ALA 40 3HB ALA 40 9.224 -0.494 2.592 304 H SER 41 H SER 41 9.746 0.252 0.133 305 HA SER 41 HA SER 41 12.523 0.362 -0.606 306 HB2 SER 41 1HB SER 41 12.178 -1.603 1.088 307 HB3 SER 41 2HB SER 41 11.445 -2.421 -0.292 308 HG SER 41 HG SER 41 13.349 -2.633 -1.179 309 H ASP 42 H ASP 42 12.894 -0.925 -2.671 310 HA ASP 42 HA ASP 42 11.097 -0.095 -4.633 311 HB2 ASP 42 1HB ASP 42 13.321 -2.119 -4.620 312 HB3 ASP 42 2HB ASP 42 12.339 -1.866 -6.060 313 H ASP 43 H ASP 43 10.943 -2.774 -2.534 314 HA ASP 43 HA ASP 43 8.672 -3.846 -4.068 315 HB2 ASP 43 1HB ASP 43 10.913 -5.234 -4.001 316 HB3 ASP 43 2HB ASP 43 10.340 -5.682 -2.397 317 H TRP 44 H TRP 44 8.916 -1.964 -1.770 318 HA TRP 44 HA TRP 44 6.915 -3.234 -0.101 319 HB2 TRP 44 1HB TRP 44 9.591 -2.339 0.967 320 HB3 TRP 44 2HB TRP 44 8.172 -2.516 1.995 321 HD1 TRP 44 HD TRP 44 11.087 -4.404 0.914 322 HE1 TRP 44 1HE TRP 44 10.774 -6.928 1.315 323 HE3 TRP 44 3HE TRP 44 6.041 -4.477 1.734 324 HZ2 TRP 44 2HZ TRP 44 8.667 -8.712 1.901 325 HZ3 TRP 44 3HZ TRP 44 4.954 -6.632 2.208 326 HH2 TRP 44 HH TRP 44 6.241 -8.705 2.289 327 H TRP 45 H TRP 45 5.885 -1.696 1.387 328 HA TRP 45 HA TRP 45 6.349 1.123 0.772 329 HB2 TRP 45 1HB TRP 45 3.842 -0.408 0.176 330 HB3 TRP 45 2HB TRP 45 3.736 1.293 0.624 331 HD1 TRP 45 HD TRP 45 5.143 -0.981 -2.142 332 HE1 TRP 45 1HE TRP 45 5.499 0.442 -4.257 333 HE3 TRP 45 3HE TRP 45 4.097 3.633 -0.202 334 HZ2 TRP 45 2HZ TRP 45 5.356 3.161 -5.004 335 HZ3 TRP 45 3HZ TRP 45 4.230 5.593 -1.684 336 HH2 TRP 45 HH TRP 45 4.847 5.359 -4.034 337 H GLU 46 H GLU 46 5.168 2.577 2.248 338 HA GLU 46 HA GLU 46 4.609 1.284 4.836 339 HB2 GLU 46 1HB GLU 46 5.939 3.963 4.393 340 HB3 GLU 46 2HB GLU 46 5.582 3.233 5.952 341 HG2 GLU 46 1HG GLU 46 7.041 1.266 4.962 342 HG3 GLU 46 2HG GLU 46 7.704 2.577 3.989 343 H GLY 47 H GLY 47 2.426 1.333 4.898 344 HA2 GLY 47 1HA GLY 47 1.178 3.993 4.868 345 HA3 GLY 47 2HA GLY 47 0.492 2.726 3.862 346 H ARG 48 H ARG 48 -1.483 2.824 4.980 347 HA ARG 48 HA ARG 48 -1.439 1.375 7.524 348 HB2 ARG 48 1HB ARG 48 -1.642 3.672 8.210 349 HB3 ARG 48 2HB ARG 48 -2.904 3.966 7.021 350 HG2 ARG 48 1HG ARG 48 -4.227 2.164 8.294 351 HG3 ARG 48 2HG ARG 48 -3.054 2.434 9.585 352 HD2 ARG 48 1HD ARG 48 -4.725 4.593 8.305 353 HD3 ARG 48 2HD ARG 48 -5.126 3.783 9.819 354 HE ARG 48 HE ARG 48 -3.097 5.797 9.401 355 HH11 ARG 48 2HH1 ARG 48 -4.293 3.262 11.465 356 HH12 ARG 48 1HH1 ARG 48 -3.505 3.867 12.884 357 HH21 ARG 48 2HH2 ARG 48 -2.055 6.604 11.262 358 HH22 ARG 48 1HH2 ARG 48 -2.232 5.769 12.768 359 H HIS 49 H HIS 49 -3.211 0.057 7.886 360 HA HIS 49 HA HIS 49 -5.312 0.019 5.840 361 HB2 HIS 49 1HB HIS 49 -3.727 -1.648 5.098 362 HB3 HIS 49 2HB HIS 49 -3.661 -2.361 6.707 363 HD1 HIS 49 1HD HIS 49 -4.910 -4.479 6.782 364 HD2 HIS 49 2HD HIS 49 -6.682 -1.749 4.200 365 HE1 HIS 49 1HE HIS 49 -6.935 -5.647 5.855 366 HE2 HIS 49 2HE HIS 49 -7.943 -4.007 4.231 367 H ASN 50 H ASN 50 -7.295 -0.232 6.660 368 HA ASN 50 HA ASN 50 -8.871 -0.161 8.343 369 HB2 ASN 50 1HB ASN 50 -8.440 -2.631 7.545 370 HB3 ASN 50 2HB ASN 50 -7.817 -2.836 9.180 371 HD21 ASN 50 1HD2 ASN 50 -9.969 -4.271 8.344 372 HD22 ASN 50 2HD2 ASN 50 -11.393 -3.728 9.157 373 H GLY 51 H GLY 51 -6.569 1.187 9.192 374 HA2 GLY 51 1HA GLY 51 -5.873 2.146 11.176 375 HA3 GLY 51 2HA GLY 51 -6.934 1.040 12.036 376 H ILE 52 H ILE 52 -4.345 0.173 9.798 377 HA ILE 52 HA ILE 52 -2.729 -0.786 12.047 378 HB ILE 52 HB ILE 52 -3.327 -2.497 9.633 379 HG12 ILE 52 1HG1 ILE 52 -4.300 -2.894 12.467 380 HG13 ILE 52 2HG1 ILE 52 -5.279 -2.174 11.193 381 HG21 ILE 52 1HG2 ILE 52 -2.173 -4.246 10.879 382 HG22 ILE 52 2HG2 ILE 52 -1.121 -2.855 10.622 383 HG23 ILE 52 3HG2 ILE 52 -1.868 -3.116 12.198 384 HD11 ILE 52 1HD1 ILE 52 -4.082 -4.773 10.537 385 HD12 ILE 52 2HD1 ILE 52 -5.291 -4.789 11.822 386 HD13 ILE 52 3HD1 ILE 52 -5.703 -4.152 10.230 387 H ASP 53 H ASP 53 -0.727 -0.058 11.844 388 HA ASP 53 HA ASP 53 0.214 0.853 9.235 389 HB2 ASP 53 1HB ASP 53 1.800 2.157 10.375 390 HB3 ASP 53 2HB ASP 53 0.372 2.230 11.404 391 H GLY 54 H GLY 54 1.633 -0.245 8.043 392 HA2 GLY 54 1HA GLY 54 3.686 -1.880 9.190 393 HA3 GLY 54 2HA GLY 54 2.393 -2.845 8.491 394 H LEU 55 H LEU 55 3.796 -3.705 6.926 395 HA LEU 55 HA LEU 55 4.785 -1.799 4.918 396 HB2 LEU 55 1HB LEU 55 5.565 -4.635 5.551 397 HB3 LEU 55 2HB LEU 55 6.121 -3.781 4.113 398 HG LEU 55 HG LEU 55 6.670 -2.901 6.946 399 HD11 LEU 55 1HD1 LEU 55 8.852 -3.797 6.719 400 HD12 LEU 55 2HD1 LEU 55 8.590 -4.188 5.020 401 HD13 LEU 55 3HD1 LEU 55 7.728 -5.081 6.272 402 HD21 LEU 55 1HD2 LEU 55 6.665 -1.075 5.336 403 HD22 LEU 55 2HD2 LEU 55 7.772 -1.970 4.295 404 HD23 LEU 55 3HD2 LEU 55 8.306 -1.419 5.884 405 H ILE 56 H ILE 56 4.366 -2.127 2.718 406 HA ILE 56 HA ILE 56 2.293 -4.113 2.080 407 HB ILE 56 HB ILE 56 2.297 -1.228 1.185 408 HG12 ILE 56 1HG1 ILE 56 0.152 -2.652 2.749 409 HG13 ILE 56 2HG1 ILE 56 1.498 -1.852 3.552 410 HG21 ILE 56 1HG2 ILE 56 0.910 -1.756 -0.474 411 HG22 ILE 56 2HG2 ILE 56 1.360 -3.438 -0.197 412 HG23 ILE 56 3HG2 ILE 56 -0.076 -2.771 0.579 413 HD11 ILE 56 1HD1 ILE 56 0.763 0.238 2.998 414 HD12 ILE 56 2HD1 ILE 56 -0.093 -0.324 1.561 415 HD13 ILE 56 3HD1 ILE 56 -0.771 -0.617 3.163 416 HA PRO 57 HA PRO 57 5.169 -5.086 -1.153 417 HB2 PRO 57 1HB PRO 57 3.585 -6.861 -2.461 418 HB3 PRO 57 2HB PRO 57 4.416 -7.247 -0.949 419 HG2 PRO 57 1HG PRO 57 1.569 -6.436 -1.391 420 HG3 PRO 57 2HG PRO 57 2.221 -7.699 -0.331 421 HD2 PRO 57 1HD PRO 57 1.466 -5.269 0.593 422 HD3 PRO 57 2HD PRO 57 2.796 -6.195 1.318 423 H HIS 58 H HIS 58 5.550 -4.381 -3.200 424 HA HIS 58 HA HIS 58 3.579 -2.611 -4.381 425 HB2 HIS 58 1HB HIS 58 5.947 -1.922 -4.225 426 HB3 HIS 58 2HB HIS 58 6.396 -3.259 -5.279 427 HD2 HIS 58 2HD HIS 58 5.398 -2.975 -7.985 428 HE1 HIS 58 1HE HIS 58 4.894 1.221 -7.604 429 HE2 HIS 58 2HE HIS 58 4.913 -0.737 -9.188 430 H GLN 59 H GLN 59 4.080 -5.834 -4.517 431 HA GLN 59 HA GLN 59 3.574 -6.111 -7.383 432 HB2 GLN 59 1HB GLN 59 4.139 -8.169 -5.244 433 HB3 GLN 59 2HB GLN 59 3.837 -8.552 -6.934 434 HG2 GLN 59 1HG GLN 59 5.812 -6.848 -7.313 435 HG3 GLN 59 2HG GLN 59 6.214 -7.314 -5.661 436 HE21 GLN 59 1HE2 GLN 59 6.786 -7.990 -8.806 437 HE22 GLN 59 2HE2 GLN 59 7.294 -9.636 -8.670 438 H TYR 60 H TYR 60 1.946 -6.165 -4.365 439 HA TYR 60 HA TYR 60 -0.442 -7.327 -5.641 440 HB2 TYR 60 1HB TYR 60 0.266 -7.196 -2.702 441 HB3 TYR 60 2HB TYR 60 -1.218 -7.874 -3.363 442 HD1 TYR 60 2HD TYR 60 2.470 -8.232 -3.892 443 HD2 TYR 60 1HD TYR 60 -1.300 -10.167 -3.518 444 HE1 TYR 60 2HE TYR 60 3.576 -10.417 -4.119 445 HE2 TYR 60 1HE TYR 60 -0.205 -12.358 -3.742 446 HH TYR 60 HH TYR 60 1.824 -13.322 -4.610 447 H ILE 61 H ILE 61 0.545 -4.521 -5.704 448 HA ILE 61 HA ILE 61 -1.976 -3.269 -5.038 449 HB ILE 61 HB ILE 61 -1.048 -1.491 -3.681 450 HG12 ILE 61 1HG1 ILE 61 1.389 -2.100 -2.775 451 HG13 ILE 61 2HG1 ILE 61 1.519 -2.836 -4.369 452 HG21 ILE 61 1HG2 ILE 61 -0.294 -4.209 -2.615 453 HG22 ILE 61 2HG2 ILE 61 -0.540 -2.756 -1.647 454 HG23 ILE 61 3HG2 ILE 61 -1.890 -3.465 -2.532 455 HD11 ILE 61 1HD1 ILE 61 0.514 -0.431 -5.033 456 HD12 ILE 61 2HD1 ILE 61 1.437 -0.008 -3.591 457 HD13 ILE 61 3HD1 ILE 61 2.237 -0.796 -4.951 458 H VAL 62 H VAL 62 -2.252 -1.206 -6.021 459 HA VAL 62 HA VAL 62 -0.302 -0.663 -8.165 460 HB VAL 62 HB VAL 62 -3.265 -0.074 -8.209 461 HG11 VAL 62 1HG1 VAL 62 -1.003 0.565 -9.992 462 HG12 VAL 62 2HG1 VAL 62 -2.477 -0.004 -10.778 463 HG13 VAL 62 3HG1 VAL 62 -2.524 1.418 -9.736 464 HG21 VAL 62 1HG2 VAL 62 -1.660 -2.357 -9.313 465 HG22 VAL 62 2HG2 VAL 62 -3.130 -2.407 -8.340 466 HG23 VAL 62 3HG2 VAL 62 -3.204 -1.884 -10.022 467 H VAL 63 H VAL 63 0.919 0.949 -7.326 468 HA VAL 63 HA VAL 63 -0.125 3.060 -5.723 469 HB VAL 63 HB VAL 63 2.514 2.822 -7.172 470 HG11 VAL 63 1HG1 VAL 63 1.532 4.863 -5.187 471 HG12 VAL 63 2HG1 VAL 63 3.236 4.618 -5.572 472 HG13 VAL 63 3HG1 VAL 63 2.114 5.143 -6.827 473 HG21 VAL 63 1HG2 VAL 63 3.051 1.419 -5.536 474 HG22 VAL 63 2HG2 VAL 63 2.828 2.733 -4.381 475 HG23 VAL 63 3HG2 VAL 63 1.484 1.657 -4.763 476 H GLN 64 H GLN 64 -1.580 4.409 -6.598 477 HA GLN 64 HA GLN 64 -1.593 5.173 -9.336 478 HB2 GLN 64 1HB GLN 64 -3.003 6.460 -6.993 479 HB3 GLN 64 2HB GLN 64 -3.378 6.719 -8.691 480 HG2 GLN 64 1HG GLN 64 -3.443 3.940 -7.653 481 HG3 GLN 64 2HG GLN 64 -4.748 5.034 -7.198 482 HE21 GLN 64 1HE2 GLN 64 -4.797 2.644 -8.874 483 HE22 GLN 64 2HE2 GLN 64 -5.429 3.145 -10.402 484 H ASP 65 H ASP 65 -0.313 6.591 -10.298 485 HA ASP 65 HA ASP 65 1.048 8.614 -8.660 486 HB2 ASP 65 1HB ASP 65 2.655 8.783 -10.510 487 HB3 ASP 65 2HB ASP 65 2.518 7.124 -9.935 488 H THR 66 H THR 66 1.500 10.715 -9.830 489 HA THR 66 HA THR 66 -0.975 11.599 -11.151 490 HB THR 66 HB THR 66 -0.537 12.770 -9.067 491 HG1 THR 66 1HG THR 66 -1.393 14.319 -10.240 492 HG21 THR 66 1HG2 THR 66 2.147 12.561 -9.816 493 HG22 THR 66 2HG2 THR 66 1.502 13.376 -8.391 494 HG23 THR 66 3HG2 THR 66 1.786 14.285 -9.875 495 H SER 67 H SER 67 2.349 11.067 -11.649 496 HA SER 67 HA SER 67 2.723 13.018 -13.725 497 HB2 SER 67 1HB SER 67 4.369 10.624 -12.879 498 HB3 SER 67 2HB SER 67 4.858 11.761 -14.135 499 HG SER 67 HG SER 67 4.549 12.200 -11.367 500 H GLY 68 H GLY 68 1.358 12.770 -15.420 501 HA2 GLY 68 1HA GLY 68 1.318 10.121 -16.729 502 HA3 GLY 68 2HA GLY 68 -0.019 11.260 -16.782 503 HA PRO 69 HA PRO 69 3.267 11.868 -20.260 504 HB2 PRO 69 1HB PRO 69 2.384 10.132 -22.151 505 HB3 PRO 69 2HB PRO 69 3.614 9.706 -20.955 506 HG2 PRO 69 1HG PRO 69 0.683 9.097 -20.957 507 HG3 PRO 69 2HG PRO 69 2.045 8.043 -20.532 508 HD2 PRO 69 1HD PRO 69 0.520 9.278 -18.665 509 HD3 PRO 69 2HD PRO 69 2.247 8.945 -18.420 510 H SER 70 H SER 70 0.004 12.032 -19.672 511 HA SER 70 HA SER 70 -0.454 13.610 -22.119 512 HB2 SER 70 1HB SER 70 -2.332 11.752 -20.661 513 HB3 SER 70 2HB SER 70 -2.914 12.988 -21.777 514 HG SER 70 HG SER 70 -0.869 11.340 -22.686 515 H SER 71 H SER 71 0.046 15.581 -21.212 516 HA SER 71 HA SER 71 -1.307 16.401 -18.765 517 HB2 SER 71 1HB SER 71 1.066 16.964 -19.006 518 HB3 SER 71 2HB SER 71 0.715 17.859 -20.485 519 HG SER 71 HG SER 71 0.588 18.705 -17.957 520 H GLY 72 H GLY 72 -3.358 17.025 -19.026 521 HA2 GLY 72 1HA GLY 72 -3.941 18.899 -21.236 522 HA3 GLY 72 2HA GLY 72 -5.070 17.644 -20.748 Start of MODEL 17 1 H1 GLY 1 H GLY 1 7.132 26.878 5.874 2 HA2 GLY 1 1HA GLY 1 6.897 26.869 2.991 3 HA3 GLY 1 2HA GLY 1 8.551 26.933 3.579 4 H SER 2 H SER 2 9.540 25.066 3.990 5 HA SER 2 HA SER 2 9.906 22.827 4.171 6 HB2 SER 2 1HB SER 2 7.491 23.285 5.871 7 HB3 SER 2 2HB SER 2 7.997 21.625 5.556 8 HG SER 2 HG SER 2 9.235 23.615 7.046 9 H SER 3 H SER 3 8.937 23.504 1.738 10 HA SER 3 HA SER 3 6.887 21.485 1.122 11 HB2 SER 3 1HB SER 3 6.236 23.682 0.373 12 HB3 SER 3 2HB SER 3 7.793 23.928 -0.417 13 HG SER 3 HG SER 3 5.657 22.258 -1.174 14 H GLY 4 H GLY 4 7.270 19.872 -0.339 15 HA2 GLY 4 1HA GLY 4 8.657 19.172 -2.299 16 HA3 GLY 4 2HA GLY 4 10.043 19.682 -1.346 17 H SER 5 H SER 5 9.712 18.626 1.064 18 HA SER 5 HA SER 5 10.188 15.842 0.609 19 HB2 SER 5 1HB SER 5 10.154 17.593 3.057 20 HB3 SER 5 2HB SER 5 10.311 15.842 3.196 21 HG SER 5 HG SER 5 11.991 17.378 1.518 22 H SER 6 H SER 6 7.969 17.355 2.952 23 HA SER 6 HA SER 6 6.351 15.047 3.189 24 HB2 SER 6 1HB SER 6 6.365 16.575 5.019 25 HB3 SER 6 2HB SER 6 5.915 17.928 3.982 26 HG SER 6 HG SER 6 4.033 17.361 4.879 27 H GLY 7 H GLY 7 4.057 14.888 2.638 28 HA2 GLY 7 1HA GLY 7 2.702 16.535 0.856 29 HA3 GLY 7 2HA GLY 7 3.617 15.395 -0.119 30 H GLU 8 H GLU 8 0.657 15.833 0.518 31 HA GLU 8 HA GLU 8 -0.595 14.000 1.999 32 HB2 GLU 8 1HB GLU 8 -2.396 14.001 0.478 33 HB3 GLU 8 2HB GLU 8 -1.602 15.553 0.248 34 HG2 GLU 8 1HG GLU 8 -0.482 14.705 -1.736 35 HG3 GLU 8 2HG GLU 8 -1.233 13.128 -1.497 36 HA PRO 9 HA PRO 9 0.676 9.924 0.981 37 HB2 PRO 9 1HB PRO 9 -1.601 8.536 1.492 38 HB3 PRO 9 2HB PRO 9 -0.585 9.220 2.767 39 HG2 PRO 9 1HG PRO 9 -3.112 10.297 1.575 40 HG3 PRO 9 2HG PRO 9 -2.615 10.235 3.276 41 HD2 PRO 9 1HD PRO 9 -2.421 12.485 1.783 42 HD3 PRO 9 2HD PRO 9 -1.275 12.101 3.084 43 H ILE 10 H ILE 10 -0.136 7.922 -0.276 44 HA ILE 10 HA ILE 10 -1.401 8.839 -2.776 45 HB ILE 10 HB ILE 10 0.612 6.605 -2.519 46 HG12 ILE 10 1HG1 ILE 10 1.104 9.352 -3.669 47 HG13 ILE 10 2HG1 ILE 10 1.490 8.938 -2.002 48 HG21 ILE 10 1HG2 ILE 10 -0.528 6.136 -4.451 49 HG22 ILE 10 2HG2 ILE 10 -0.902 7.829 -4.771 50 HG23 ILE 10 3HG2 ILE 10 0.723 7.213 -5.071 51 HD11 ILE 10 1HD1 ILE 10 3.398 8.821 -3.611 52 HD12 ILE 10 2HD1 ILE 10 3.105 7.346 -2.689 53 HD13 ILE 10 3HD1 ILE 10 2.587 7.452 -4.371 54 H GLU 11 H GLU 11 -3.283 7.923 -3.235 55 HA GLU 11 HA GLU 11 -4.273 5.715 -1.690 56 HB2 GLU 11 1HB GLU 11 -5.375 7.495 -3.821 57 HB3 GLU 11 2HB GLU 11 -6.193 5.975 -3.488 58 HG2 GLU 11 1HG GLU 11 -6.859 6.627 -1.399 59 HG3 GLU 11 2HG GLU 11 -5.528 7.768 -1.211 60 H ALA 12 H ALA 12 -3.589 3.717 -2.094 61 HA ALA 12 HA ALA 12 -3.204 2.897 -4.896 62 HB1 ALA 12 1HB ALA 12 -1.312 1.905 -4.290 63 HB2 ALA 12 2HB ALA 12 -1.493 2.660 -2.706 64 HB3 ALA 12 3HB ALA 12 -2.119 1.035 -2.986 65 H ILE 13 H ILE 13 -3.913 0.793 -5.531 66 HA ILE 13 HA ILE 13 -6.127 -0.233 -3.877 67 HB ILE 13 HB ILE 13 -5.885 -0.310 -6.887 68 HG12 ILE 13 1HG1 ILE 13 -6.369 1.943 -6.023 69 HG13 ILE 13 2HG1 ILE 13 -7.755 1.273 -6.877 70 HG21 ILE 13 1HG2 ILE 13 -8.511 -0.848 -5.946 71 HG22 ILE 13 2HG2 ILE 13 -7.432 -1.898 -6.863 72 HG23 ILE 13 3HG2 ILE 13 -7.389 -1.913 -5.100 73 HD11 ILE 13 1HD1 ILE 13 -8.456 0.518 -4.462 74 HD12 ILE 13 2HD1 ILE 13 -7.401 1.850 -3.990 75 HD13 ILE 13 3HD1 ILE 13 -8.780 2.150 -5.046 76 H ALA 14 H ALA 14 -6.024 -2.289 -3.241 77 HA ALA 14 HA ALA 14 -3.773 -3.873 -3.493 78 HB1 ALA 14 1HB ALA 14 -6.621 -4.558 -2.833 79 HB2 ALA 14 2HB ALA 14 -5.342 -5.773 -2.831 80 HB3 ALA 14 3HB ALA 14 -5.245 -4.388 -1.743 81 H LYS 15 H LYS 15 -2.927 -4.958 -5.135 82 HA LYS 15 HA LYS 15 -4.333 -5.257 -7.612 83 HB2 LYS 15 1HB LYS 15 -1.742 -4.967 -7.059 84 HB3 LYS 15 2HB LYS 15 -1.791 -6.725 -7.106 85 HG2 LYS 15 1HG LYS 15 -2.409 -6.767 -9.354 86 HG3 LYS 15 2HG LYS 15 -2.915 -5.076 -9.341 87 HD2 LYS 15 1HD LYS 15 -0.896 -4.850 -10.380 88 HD3 LYS 15 2HD LYS 15 -0.368 -4.708 -8.701 89 HE2 LYS 15 1HE LYS 15 1.122 -6.273 -9.424 90 HE3 LYS 15 2HE LYS 15 -0.189 -7.341 -8.923 91 HZ1 LYS 15 1HZ LYS 15 0.219 -8.142 -10.998 92 HZ2 LYS 15 2HZ LYS 15 0.720 -6.650 -11.618 93 HZ3 LYS 15 3HZ LYS 15 -0.928 -6.963 -11.397 94 H PHE 16 H PHE 16 -3.414 -7.384 -4.965 95 HA PHE 16 HA PHE 16 -5.411 -9.296 -5.734 96 HB2 PHE 16 1HB PHE 16 -2.524 -10.195 -5.759 97 HB3 PHE 16 2HB PHE 16 -3.940 -11.199 -6.054 98 HD1 PHE 16 2HD PHE 16 -5.415 -10.562 -8.066 99 HD2 PHE 16 1HD PHE 16 -1.424 -9.185 -7.525 100 HE1 PHE 16 2HE PHE 16 -5.262 -10.069 -10.472 101 HE2 PHE 16 1HE PHE 16 -1.265 -8.689 -9.930 102 HZ PHE 16 HZ PHE 16 -3.186 -9.132 -11.407 103 H ASP 17 H ASP 17 -6.054 -10.558 -4.037 104 HA ASP 17 HA ASP 17 -5.864 -9.813 -1.479 105 HB2 ASP 17 1HB ASP 17 -7.322 -11.563 -1.674 106 HB3 ASP 17 2HB ASP 17 -6.256 -12.471 -2.744 107 H TYR 18 H TYR 18 -4.443 -9.803 0.164 108 HA TYR 18 HA TYR 18 -2.008 -11.413 -0.034 109 HB2 TYR 18 1HB TYR 18 -1.387 -9.265 -0.992 110 HB3 TYR 18 2HB TYR 18 -2.044 -8.420 0.405 111 HD1 TYR 18 1HD TYR 18 0.691 -10.586 -0.781 112 HD2 TYR 18 2HD TYR 18 -0.797 -8.239 2.441 113 HE1 TYR 18 1HE TYR 18 2.886 -10.718 0.321 114 HE2 TYR 18 2HE TYR 18 1.395 -8.363 3.551 115 HH TYR 18 HH TYR 18 3.410 -9.355 3.540 116 H VAL 19 H VAL 19 -0.997 -11.845 1.951 117 HA VAL 19 HA VAL 19 -2.497 -11.022 4.348 118 HB VAL 19 HB VAL 19 -3.169 -13.284 3.913 119 HG11 VAL 19 1HG1 VAL 19 -0.511 -14.502 4.155 120 HG12 VAL 19 2HG1 VAL 19 -1.859 -14.916 3.095 121 HG13 VAL 19 3HG1 VAL 19 -0.774 -13.592 2.668 122 HG21 VAL 19 1HG2 VAL 19 -1.240 -14.022 5.956 123 HG22 VAL 19 2HG2 VAL 19 -1.973 -12.447 6.258 124 HG23 VAL 19 3HG2 VAL 19 -2.994 -13.872 6.060 125 H GLY 20 H GLY 20 -1.139 -9.727 5.420 126 HA2 GLY 20 1HA GLY 20 1.519 -9.375 5.270 127 HA3 GLY 20 2HA GLY 20 0.664 -9.251 6.801 128 H ARG 21 H ARG 21 3.016 -10.926 5.039 129 HA ARG 21 HA ARG 21 2.976 -13.476 6.137 130 HB2 ARG 21 1HB ARG 21 5.342 -11.774 5.338 131 HB3 ARG 21 2HB ARG 21 5.434 -13.494 5.695 132 HG2 ARG 21 1HG ARG 21 3.616 -13.711 3.857 133 HG3 ARG 21 2HG ARG 21 4.177 -12.110 3.370 134 HD2 ARG 21 1HD ARG 21 6.149 -14.307 3.832 135 HD3 ARG 21 2HD ARG 21 5.244 -14.245 2.321 136 HE ARG 21 HE ARG 21 6.497 -11.755 2.998 137 HH11 ARG 21 2HH1 ARG 21 6.955 -14.860 1.492 138 HH12 ARG 21 1HH1 ARG 21 8.252 -14.322 0.477 139 HH21 ARG 21 2HH2 ARG 21 8.203 -11.034 1.665 140 HH22 ARG 21 1HH2 ARG 21 8.961 -12.146 0.577 141 H THR 22 H THR 22 3.957 -10.449 7.539 142 HA THR 22 HA THR 22 4.327 -11.789 10.110 143 HB THR 22 HB THR 22 6.357 -10.502 10.620 144 HG1 THR 22 1HG THR 22 5.670 -9.108 8.500 145 HG21 THR 22 1HG2 THR 22 7.899 -11.681 9.003 146 HG22 THR 22 2HG2 THR 22 6.454 -12.254 8.170 147 HG23 THR 22 3HG2 THR 22 6.748 -12.716 9.846 148 H ALA 23 H ALA 23 4.281 -10.280 11.938 149 HA ALA 23 HA ALA 23 2.122 -8.639 12.027 150 HB1 ALA 23 1HB ALA 23 2.807 -7.992 14.109 151 HB2 ALA 23 2HB ALA 23 3.846 -9.397 13.872 152 HB3 ALA 23 3HB ALA 23 4.485 -7.774 13.612 153 H ARG 24 H ARG 24 5.326 -7.822 10.863 154 HA ARG 24 HA ARG 24 5.041 -5.026 10.777 155 HB2 ARG 24 1HB ARG 24 6.814 -7.026 9.473 156 HB3 ARG 24 2HB ARG 24 6.736 -5.426 8.748 157 HG2 ARG 24 1HG ARG 24 7.176 -5.628 11.680 158 HG3 ARG 24 2HG ARG 24 8.511 -6.015 10.593 159 HD2 ARG 24 1HD ARG 24 8.639 -3.868 9.769 160 HD3 ARG 24 2HD ARG 24 6.958 -3.506 10.159 161 HE ARG 24 HE ARG 24 9.249 -3.261 11.909 162 HH11 ARG 24 2HH1 ARG 24 5.781 -3.421 11.649 163 HH12 ARG 24 1HH1 ARG 24 5.501 -2.646 13.173 164 HH21 ARG 24 2HH2 ARG 24 8.893 -2.240 13.917 165 HH22 ARG 24 1HH2 ARG 24 7.272 -1.974 14.462 166 H GLU 25 H GLU 25 4.551 -7.464 8.224 167 HA GLU 25 HA GLU 25 3.602 -5.610 6.302 168 HB2 GLU 25 1HB GLU 25 2.970 -8.559 6.371 169 HB3 GLU 25 2HB GLU 25 3.045 -7.506 4.965 170 HG2 GLU 25 1HG GLU 25 5.239 -8.761 6.517 171 HG3 GLU 25 2HG GLU 25 5.037 -8.592 4.774 172 H LEU 26 H LEU 26 1.333 -6.109 5.264 173 HA LEU 26 HA LEU 26 -0.681 -6.270 7.402 174 HB2 LEU 26 1HB LEU 26 -0.826 -4.333 5.104 175 HB3 LEU 26 2HB LEU 26 -1.889 -4.422 6.508 176 HG LEU 26 HG LEU 26 1.028 -3.691 6.689 177 HD11 LEU 26 1HD1 LEU 26 -0.007 -1.352 7.054 178 HD12 LEU 26 2HD1 LEU 26 -1.382 -2.000 6.160 179 HD13 LEU 26 3HD1 LEU 26 0.211 -1.945 5.407 180 HD21 LEU 26 1HD2 LEU 26 -1.185 -4.034 8.580 181 HD22 LEU 26 2HD2 LEU 26 -0.284 -2.530 8.772 182 HD23 LEU 26 3HD2 LEU 26 0.558 -4.079 8.847 183 H SER 27 H SER 27 -2.478 -7.420 6.931 184 HA SER 27 HA SER 27 -2.513 -8.818 4.371 185 HB2 SER 27 1HB SER 27 -4.106 -10.332 5.424 186 HB3 SER 27 2HB SER 27 -2.710 -10.116 6.479 187 HG SER 27 HG SER 27 -5.282 -8.959 6.725 188 H PHE 28 H PHE 28 -3.855 -8.312 2.776 189 HA PHE 28 HA PHE 28 -6.374 -6.949 3.383 190 HB2 PHE 28 1HB PHE 28 -5.927 -5.438 1.377 191 HB3 PHE 28 2HB PHE 28 -5.014 -5.089 2.842 192 HD1 PHE 28 1HD PHE 28 -4.817 -6.617 -0.511 193 HD2 PHE 28 2HD PHE 28 -2.658 -5.199 2.872 194 HE1 PHE 28 1HE PHE 28 -2.720 -6.774 -1.788 195 HE2 PHE 28 2HE PHE 28 -0.557 -5.353 1.600 196 HZ PHE 28 HZ PHE 28 -0.587 -6.141 -0.733 197 H LYS 29 H LYS 29 -7.650 -6.700 1.207 198 HA LYS 29 HA LYS 29 -7.364 -9.220 -0.296 199 HB2 LYS 29 1HB LYS 29 -9.854 -7.826 0.679 200 HB3 LYS 29 2HB LYS 29 -9.891 -9.057 -0.576 201 HG2 LYS 29 1HG LYS 29 -10.294 -10.381 1.212 202 HG3 LYS 29 2HG LYS 29 -8.530 -10.414 1.259 203 HD2 LYS 29 1HD LYS 29 -9.045 -9.920 3.454 204 HD3 LYS 29 2HD LYS 29 -8.813 -8.308 2.774 205 HE2 LYS 29 1HE LYS 29 -11.328 -9.688 3.590 206 HE3 LYS 29 2HE LYS 29 -10.791 -8.043 3.925 207 HZ1 LYS 29 1HZ LYS 29 -11.531 -8.952 1.205 208 HZ2 LYS 29 2HZ LYS 29 -11.341 -7.364 1.757 209 HZ3 LYS 29 3HZ LYS 29 -12.658 -8.289 2.279 210 H LYS 30 H LYS 30 -7.787 -9.180 -2.503 211 HA LYS 30 HA LYS 30 -6.961 -7.055 -3.995 212 HB2 LYS 30 1HB LYS 30 -7.287 -9.303 -4.912 213 HB3 LYS 30 2HB LYS 30 -9.031 -9.109 -4.796 214 HG2 LYS 30 1HG LYS 30 -9.084 -7.524 -6.519 215 HG3 LYS 30 2HG LYS 30 -7.342 -7.251 -6.435 216 HD2 LYS 30 1HD LYS 30 -6.880 -9.383 -7.386 217 HD3 LYS 30 2HD LYS 30 -8.563 -9.890 -7.223 218 HE2 LYS 30 1HE LYS 30 -7.977 -7.459 -8.831 219 HE3 LYS 30 2HE LYS 30 -7.573 -9.028 -9.525 220 HZ1 LYS 30 1HZ LYS 30 -10.196 -8.927 -8.351 221 HZ2 LYS 30 2HZ LYS 30 -9.711 -9.503 -9.865 222 HZ3 LYS 30 3HZ LYS 30 -10.001 -7.851 -9.642 223 H GLY 31 H GLY 31 -7.712 -5.084 -4.406 224 HA2 GLY 31 1HA GLY 31 -9.420 -3.608 -5.191 225 HA3 GLY 31 2HA GLY 31 -10.619 -4.652 -4.442 226 H ALA 32 H ALA 32 -9.039 -4.844 -1.948 227 HA ALA 32 HA ALA 32 -10.270 -2.880 -0.445 228 HB1 ALA 32 1HB ALA 32 -9.127 -3.704 1.361 229 HB2 ALA 32 2HB ALA 32 -8.955 -5.050 0.234 230 HB3 ALA 32 3HB ALA 32 -7.626 -3.912 0.457 231 H SER 33 H SER 33 -9.911 -0.788 -0.060 232 HA SER 33 HA SER 33 -7.879 0.609 -1.499 233 HB2 SER 33 1HB SER 33 -10.024 1.675 -1.152 234 HB3 SER 33 2HB SER 33 -9.851 1.544 0.598 235 HG SER 33 HG SER 33 -8.176 3.058 -1.124 236 H LEU 34 H LEU 34 -5.944 1.341 -0.840 237 HA LEU 34 HA LEU 34 -5.272 1.159 2.015 238 HB2 LEU 34 1HB LEU 34 -3.345 0.371 -0.149 239 HB3 LEU 34 2HB LEU 34 -3.206 0.107 1.588 240 HG LEU 34 HG LEU 34 -5.420 -1.217 0.085 241 HD11 LEU 34 1HD1 LEU 34 -3.094 -1.513 -1.048 242 HD12 LEU 34 2HD1 LEU 34 -4.116 -2.919 -0.752 243 HD13 LEU 34 3HD1 LEU 34 -2.769 -2.566 0.329 244 HD21 LEU 34 1HD2 LEU 34 -5.030 -1.201 2.641 245 HD22 LEU 34 2HD2 LEU 34 -3.740 -2.351 2.289 246 HD23 LEU 34 3HD2 LEU 34 -5.404 -2.729 1.844 247 H LEU 35 H LEU 35 -3.997 2.772 2.801 248 HA LEU 35 HA LEU 35 -3.410 4.967 0.948 249 HB2 LEU 35 1HB LEU 35 -4.768 5.103 3.210 250 HB3 LEU 35 2HB LEU 35 -3.152 5.250 3.898 251 HG LEU 35 HG LEU 35 -2.775 7.221 2.418 252 HD11 LEU 35 1HD1 LEU 35 -4.161 7.430 0.684 253 HD12 LEU 35 2HD1 LEU 35 -5.319 8.088 1.839 254 HD13 LEU 35 3HD1 LEU 35 -5.373 6.377 1.415 255 HD21 LEU 35 1HD2 LEU 35 -3.485 8.543 4.075 256 HD22 LEU 35 2HD2 LEU 35 -4.052 7.057 4.837 257 HD23 LEU 35 3HD2 LEU 35 -5.164 8.039 3.883 258 H LEU 36 H LEU 36 -1.390 5.399 0.367 259 HA LEU 36 HA LEU 36 0.795 4.053 1.778 260 HB2 LEU 36 1HB LEU 36 0.830 5.483 -0.874 261 HB3 LEU 36 2HB LEU 36 2.131 4.510 -0.191 262 HG LEU 36 HG LEU 36 -0.546 3.519 -1.167 263 HD11 LEU 36 1HD1 LEU 36 2.208 3.575 -2.279 264 HD12 LEU 36 2HD1 LEU 36 0.654 3.768 -3.090 265 HD13 LEU 36 3HD1 LEU 36 1.202 2.163 -2.604 266 HD21 LEU 36 1HD2 LEU 36 0.629 1.263 -0.755 267 HD22 LEU 36 2HD2 LEU 36 -0.078 2.109 0.622 268 HD23 LEU 36 3HD2 LEU 36 1.664 2.174 0.345 269 H TYR 37 H TYR 37 2.473 5.130 2.716 270 HA TYR 37 HA TYR 37 2.216 8.061 2.861 271 HB2 TYR 37 1HB TYR 37 3.321 6.118 4.898 272 HB3 TYR 37 2HB TYR 37 3.369 7.870 5.062 273 HD1 TYR 37 1HD TYR 37 0.770 8.780 4.282 274 HD2 TYR 37 2HD TYR 37 1.815 5.248 6.414 275 HE1 TYR 37 1HE TYR 37 -1.464 8.747 5.312 276 HE2 TYR 37 2HE TYR 37 -0.416 5.206 7.448 277 HH TYR 37 HH TYR 37 -2.246 7.152 7.956 278 H GLN 38 H GLN 38 4.563 5.398 2.834 279 HA GLN 38 HA GLN 38 6.367 6.962 1.216 280 HB2 GLN 38 1HB GLN 38 6.903 6.393 4.095 281 HB3 GLN 38 2HB GLN 38 8.249 6.315 2.966 282 HG2 GLN 38 1HG GLN 38 7.443 8.646 2.205 283 HG3 GLN 38 2HG GLN 38 6.567 8.661 3.734 284 HE21 GLN 38 1HE2 GLN 38 9.801 7.780 2.556 285 HE22 GLN 38 2HE2 GLN 38 10.664 8.574 3.825 286 H ARG 39 H ARG 39 8.157 5.704 0.389 287 HA ARG 39 HA ARG 39 7.418 2.912 0.077 288 HB2 ARG 39 1HB ARG 39 7.994 4.228 -1.911 289 HB3 ARG 39 2HB ARG 39 9.594 4.537 -1.251 290 HG2 ARG 39 1HG ARG 39 10.095 2.813 -2.636 291 HG3 ARG 39 2HG ARG 39 9.678 1.894 -1.188 292 HD2 ARG 39 1HD ARG 39 7.603 1.272 -2.030 293 HD3 ARG 39 2HD ARG 39 7.581 2.583 -3.209 294 HE ARG 39 HE ARG 39 8.837 -0.004 -3.500 295 HH11 ARG 39 2HH1 ARG 39 8.623 3.273 -4.654 296 HH12 ARG 39 1HH1 ARG 39 9.262 2.901 -6.221 297 HH21 ARG 39 2HH2 ARG 39 9.678 -0.507 -5.560 298 HH22 ARG 39 1HH2 ARG 39 9.861 0.751 -6.735 299 H ALA 40 H ALA 40 8.132 1.515 1.545 300 HA ALA 40 HA ALA 40 10.398 1.985 3.200 301 HB1 ALA 40 1HB ALA 40 8.867 0.666 4.273 302 HB2 ALA 40 2HB ALA 40 8.477 -0.256 2.820 303 HB3 ALA 40 3HB ALA 40 9.983 -0.567 3.684 304 H SER 41 H SER 41 9.810 -0.046 0.363 305 HA SER 41 HA SER 41 12.628 -0.067 -0.247 306 HB2 SER 41 1HB SER 41 11.247 -2.717 0.230 307 HB3 SER 41 2HB SER 41 12.933 -2.464 -0.219 308 HG SER 41 HG SER 41 12.008 -2.675 2.188 309 H ASP 42 H ASP 42 12.989 -1.515 -2.270 310 HA ASP 42 HA ASP 42 11.326 -0.530 -4.321 311 HB2 ASP 42 1HB ASP 42 13.262 -2.851 -4.462 312 HB3 ASP 42 2HB ASP 42 12.645 -1.919 -5.823 313 H ASP 43 H ASP 43 10.903 -3.116 -2.200 314 HA ASP 43 HA ASP 43 8.727 -4.162 -3.873 315 HB2 ASP 43 1HB ASP 43 10.917 -5.616 -3.693 316 HB3 ASP 43 2HB ASP 43 10.255 -6.042 -2.117 317 H TRP 44 H TRP 44 9.002 -2.315 -1.498 318 HA TRP 44 HA TRP 44 6.837 -3.500 0.037 319 HB2 TRP 44 1HB TRP 44 9.486 -2.717 1.255 320 HB3 TRP 44 2HB TRP 44 8.008 -2.876 2.201 321 HD1 TRP 44 HD TRP 44 10.918 -4.830 1.168 322 HE1 TRP 44 1HE TRP 44 10.519 -7.348 1.522 323 HE3 TRP 44 3HE TRP 44 5.855 -4.759 1.875 324 HZ2 TRP 44 2HZ TRP 44 8.346 -9.076 2.032 325 HZ3 TRP 44 3HZ TRP 44 4.692 -6.888 2.289 326 HH2 TRP 44 HH TRP 44 5.914 -9.001 2.365 327 H TRP 45 H TRP 45 5.718 -1.952 1.380 328 HA TRP 45 HA TRP 45 6.359 0.858 0.851 329 HB2 TRP 45 1HB TRP 45 3.811 -0.563 0.148 330 HB3 TRP 45 2HB TRP 45 3.779 1.148 0.564 331 HD1 TRP 45 HD TRP 45 5.246 -1.241 -2.079 332 HE1 TRP 45 1HE TRP 45 5.749 0.120 -4.205 333 HE3 TRP 45 3HE TRP 45 4.216 3.442 -0.307 334 HZ2 TRP 45 2HZ TRP 45 5.714 2.821 -5.022 335 HZ3 TRP 45 3HZ TRP 45 4.476 5.361 -1.825 336 HH2 TRP 45 HH TRP 45 5.211 5.055 -4.133 337 H GLU 46 H GLU 46 5.258 2.355 2.301 338 HA GLU 46 HA GLU 46 4.535 1.075 4.856 339 HB2 GLU 46 1HB GLU 46 5.922 3.725 4.413 340 HB3 GLU 46 2HB GLU 46 5.450 3.074 5.976 341 HG2 GLU 46 1HG GLU 46 6.916 1.030 5.149 342 HG3 GLU 46 2HG GLU 46 7.679 2.296 4.188 343 H GLY 47 H GLY 47 2.339 1.111 4.758 344 HA2 GLY 47 1HA GLY 47 1.103 3.783 4.653 345 HA3 GLY 47 2HA GLY 47 0.435 2.470 3.695 346 H ARG 48 H ARG 48 -1.556 2.778 4.833 347 HA ARG 48 HA ARG 48 -1.544 1.452 7.457 348 HB2 ARG 48 1HB ARG 48 -1.882 3.761 7.963 349 HB3 ARG 48 2HB ARG 48 -3.050 3.941 6.660 350 HG2 ARG 48 1HG ARG 48 -4.351 2.107 8.032 351 HG3 ARG 48 2HG ARG 48 -3.382 2.750 9.359 352 HD2 ARG 48 1HD ARG 48 -5.311 4.043 9.438 353 HD3 ARG 48 2HD ARG 48 -4.185 5.056 8.534 354 HE ARG 48 HE ARG 48 -5.513 3.651 6.614 355 HH11 ARG 48 2HH1 ARG 48 -6.478 5.706 9.253 356 HH12 ARG 48 1HH1 ARG 48 -7.913 6.268 8.462 357 HH21 ARG 48 2HH2 ARG 48 -7.399 4.383 5.562 358 HH22 ARG 48 1HH2 ARG 48 -8.437 5.514 6.363 359 H HIS 49 H HIS 49 -3.273 0.096 7.885 360 HA HIS 49 HA HIS 49 -5.263 -0.251 5.755 361 HB2 HIS 49 1HB HIS 49 -3.606 -1.945 5.315 362 HB3 HIS 49 2HB HIS 49 -3.588 -2.434 7.007 363 HD1 HIS 49 1HD HIS 49 -5.928 -3.518 7.871 364 HD2 HIS 49 2HD HIS 49 -5.341 -3.345 3.762 365 HE1 HIS 49 1HE HIS 49 -7.570 -5.150 6.888 366 HE2 HIS 49 2HE HIS 49 -7.138 -5.090 4.408 367 H ASN 50 H ASN 50 -7.115 0.248 6.739 368 HA ASN 50 HA ASN 50 -8.834 0.267 8.228 369 HB2 ASN 50 1HB ASN 50 -7.616 -2.436 8.712 370 HB3 ASN 50 2HB ASN 50 -8.975 -1.883 9.686 371 HD21 ASN 50 1HD2 ASN 50 -8.858 -4.101 7.842 372 HD22 ASN 50 2HD2 ASN 50 -10.062 -3.805 6.639 373 H GLY 51 H GLY 51 -6.261 1.463 8.979 374 HA2 GLY 51 1HA GLY 51 -5.883 2.802 10.898 375 HA3 GLY 51 2HA GLY 51 -6.783 1.637 11.857 376 H ILE 52 H ILE 52 -5.005 -0.375 10.180 377 HA ILE 52 HA ILE 52 -2.903 -0.459 12.213 378 HB ILE 52 HB ILE 52 -3.694 -2.535 10.166 379 HG12 ILE 52 1HG1 ILE 52 -4.321 -3.675 12.488 380 HG13 ILE 52 2HG1 ILE 52 -4.501 -1.997 12.987 381 HG21 ILE 52 1HG2 ILE 52 -1.689 -2.581 12.410 382 HG22 ILE 52 2HG2 ILE 52 -2.303 -4.037 11.628 383 HG23 ILE 52 3HG2 ILE 52 -1.400 -2.847 10.691 384 HD11 ILE 52 1HD1 ILE 52 -6.203 -1.614 11.395 385 HD12 ILE 52 2HD1 ILE 52 -5.877 -3.143 10.577 386 HD13 ILE 52 3HD1 ILE 52 -6.587 -3.140 12.191 387 H ASP 53 H ASP 53 -1.036 0.479 11.745 388 HA ASP 53 HA ASP 53 -0.243 0.922 8.990 389 HB2 ASP 53 1HB ASP 53 1.360 2.422 9.821 390 HB3 ASP 53 2HB ASP 53 0.000 2.604 10.926 391 H GLY 54 H GLY 54 1.250 -0.202 7.892 392 HA2 GLY 54 1HA GLY 54 3.327 -1.696 9.194 393 HA3 GLY 54 2HA GLY 54 2.063 -2.729 8.544 394 H LEU 55 H LEU 55 3.625 -3.654 7.126 395 HA LEU 55 HA LEU 55 4.685 -1.904 5.038 396 HB2 LEU 55 1HB LEU 55 5.317 -4.628 6.037 397 HB3 LEU 55 2HB LEU 55 5.661 -4.273 4.345 398 HG LEU 55 HG LEU 55 6.779 -2.786 6.722 399 HD11 LEU 55 1HD1 LEU 55 7.904 -4.808 6.725 400 HD12 LEU 55 2HD1 LEU 55 8.934 -3.797 5.712 401 HD13 LEU 55 3HD1 LEU 55 7.841 -4.965 4.969 402 HD21 LEU 55 1HD2 LEU 55 7.381 -1.181 5.316 403 HD22 LEU 55 2HD2 LEU 55 6.474 -1.983 4.033 404 HD23 LEU 55 3HD2 LEU 55 8.181 -2.358 4.274 405 H ILE 56 H ILE 56 4.427 -2.438 2.795 406 HA ILE 56 HA ILE 56 2.188 -4.215 2.154 407 HB ILE 56 HB ILE 56 2.379 -1.320 1.327 408 HG12 ILE 56 1HG1 ILE 56 0.006 -2.715 2.535 409 HG13 ILE 56 2HG1 ILE 56 1.300 -2.100 3.557 410 HG21 ILE 56 1HG2 ILE 56 1.297 -1.778 -0.554 411 HG22 ILE 56 2HG2 ILE 56 1.417 -3.499 -0.192 412 HG23 ILE 56 3HG2 ILE 56 0.016 -2.580 0.356 413 HD11 ILE 56 1HD1 ILE 56 -0.887 -0.694 2.816 414 HD12 ILE 56 2HD1 ILE 56 0.649 0.024 3.303 415 HD13 ILE 56 3HD1 ILE 56 0.277 -0.184 1.592 416 HA PRO 57 HA PRO 57 5.062 -5.415 -0.999 417 HB2 PRO 57 1HB PRO 57 3.388 -7.074 -2.347 418 HB3 PRO 57 2HB PRO 57 4.142 -7.512 -0.810 419 HG2 PRO 57 1HG PRO 57 1.379 -6.491 -1.340 420 HG3 PRO 57 2HG PRO 57 1.901 -7.793 -0.256 421 HD2 PRO 57 1HD PRO 57 1.305 -5.307 0.635 422 HD3 PRO 57 2HD PRO 57 2.539 -6.327 1.404 423 H HIS 58 H HIS 58 5.544 -4.794 -3.059 424 HA HIS 58 HA HIS 58 3.730 -2.895 -4.309 425 HB2 HIS 58 1HB HIS 58 6.101 -2.295 -4.056 426 HB3 HIS 58 2HB HIS 58 6.559 -3.680 -5.043 427 HD2 HIS 58 2HD HIS 58 5.842 -3.428 -7.814 428 HE1 HIS 58 1HE HIS 58 5.310 0.774 -7.579 429 HE2 HIS 58 2HE HIS 58 5.469 -1.220 -9.109 430 H GLN 59 H GLN 59 4.103 -6.142 -4.424 431 HA GLN 59 HA GLN 59 3.671 -6.384 -7.309 432 HB2 GLN 59 1HB GLN 59 4.265 -8.406 -5.153 433 HB3 GLN 59 2HB GLN 59 3.804 -8.871 -6.785 434 HG2 GLN 59 1HG GLN 59 6.211 -7.229 -6.032 435 HG3 GLN 59 2HG GLN 59 6.215 -8.932 -6.488 436 HE21 GLN 59 1HE2 GLN 59 7.086 -6.104 -7.610 437 HE22 GLN 59 2HE2 GLN 59 6.744 -6.276 -9.294 438 H TYR 60 H TYR 60 1.934 -6.214 -4.417 439 HA TYR 60 HA TYR 60 -0.433 -7.399 -5.715 440 HB2 TYR 60 1HB TYR 60 0.258 -7.319 -2.772 441 HB3 TYR 60 2HB TYR 60 -1.278 -7.879 -3.423 442 HD1 TYR 60 2HD TYR 60 2.383 -8.516 -3.833 443 HD2 TYR 60 1HD TYR 60 -1.546 -10.147 -3.753 444 HE1 TYR 60 2HE TYR 60 3.322 -10.776 -4.086 445 HE2 TYR 60 1HE TYR 60 -0.618 -12.411 -4.005 446 HH TYR 60 HH TYR 60 2.319 -13.086 -5.075 447 H ILE 61 H ILE 61 0.505 -4.665 -5.927 448 HA ILE 61 HA ILE 61 -1.953 -3.339 -5.252 449 HB ILE 61 HB ILE 61 -0.999 -1.555 -3.907 450 HG12 ILE 61 1HG1 ILE 61 1.390 -2.249 -2.925 451 HG13 ILE 61 2HG1 ILE 61 1.533 -3.001 -4.510 452 HG21 ILE 61 1HG2 ILE 61 -0.668 -2.770 -1.840 453 HG22 ILE 61 2HG2 ILE 61 -1.933 -3.543 -2.793 454 HG23 ILE 61 3HG2 ILE 61 -0.318 -4.249 -2.735 455 HD11 ILE 61 1HD1 ILE 61 0.618 -0.545 -5.183 456 HD12 ILE 61 2HD1 ILE 61 1.578 -0.176 -3.749 457 HD13 ILE 61 3HD1 ILE 61 2.320 -1.002 -5.119 458 H VAL 62 H VAL 62 -2.162 -1.270 -6.250 459 HA VAL 62 HA VAL 62 -0.126 -0.742 -8.317 460 HB VAL 62 HB VAL 62 -3.115 -0.360 -8.547 461 HG11 VAL 62 1HG1 VAL 62 -1.226 -0.115 -10.840 462 HG12 VAL 62 2HG1 VAL 62 -2.815 0.617 -10.604 463 HG13 VAL 62 3HG1 VAL 62 -1.414 1.246 -9.735 464 HG21 VAL 62 1HG2 VAL 62 -2.593 -2.050 -10.502 465 HG22 VAL 62 2HG2 VAL 62 -1.238 -2.483 -9.460 466 HG23 VAL 62 3HG2 VAL 62 -2.890 -2.618 -8.859 467 H VAL 63 H VAL 63 0.972 0.957 -7.506 468 HA VAL 63 HA VAL 63 -0.027 2.976 -5.863 469 HB VAL 63 HB VAL 63 2.289 3.104 -7.799 470 HG11 VAL 63 1HG1 VAL 63 3.092 4.930 -6.285 471 HG12 VAL 63 2HG1 VAL 63 1.670 5.342 -7.245 472 HG13 VAL 63 3HG1 VAL 63 1.495 4.930 -5.538 473 HG21 VAL 63 1HG2 VAL 63 3.143 1.592 -6.383 474 HG22 VAL 63 2HG2 VAL 63 3.318 2.949 -5.269 475 HG23 VAL 63 3HG2 VAL 63 1.907 1.897 -5.163 476 H GLN 64 H GLN 64 -1.948 3.847 -6.579 477 HA GLN 64 HA GLN 64 -2.021 5.096 -9.218 478 HB2 GLN 64 1HB GLN 64 -4.250 4.944 -7.190 479 HB3 GLN 64 2HB GLN 64 -4.387 5.304 -8.906 480 HG2 GLN 64 1HG GLN 64 -3.336 2.923 -9.176 481 HG3 GLN 64 2HG GLN 64 -3.958 2.696 -7.542 482 HE21 GLN 64 1HE2 GLN 64 -5.140 1.015 -8.889 483 HE22 GLN 64 2HE2 GLN 64 -6.676 1.488 -9.523 484 H ASP 65 H ASP 65 -0.648 6.860 -8.883 485 HA ASP 65 HA ASP 65 -1.488 8.824 -6.871 486 HB2 ASP 65 1HB ASP 65 0.700 9.931 -7.418 487 HB3 ASP 65 2HB ASP 65 0.853 8.311 -6.743 488 H THR 66 H THR 66 -1.357 11.143 -7.547 489 HA THR 66 HA THR 66 -2.772 11.459 -10.079 490 HB THR 66 HB THR 66 -2.283 13.493 -7.894 491 HG1 THR 66 1HG THR 66 -4.429 13.010 -7.303 492 HG21 THR 66 1HG2 THR 66 -4.590 14.006 -9.497 493 HG22 THR 66 2HG2 THR 66 -3.194 13.799 -10.556 494 HG23 THR 66 3HG2 THR 66 -3.156 15.007 -9.272 495 H SER 67 H SER 67 -1.653 11.927 -11.845 496 HA SER 67 HA SER 67 0.884 13.385 -11.581 497 HB2 SER 67 1HB SER 67 0.612 11.065 -12.788 498 HB3 SER 67 2HB SER 67 0.026 12.054 -14.125 499 HG SER 67 HG SER 67 2.026 12.490 -14.541 500 H GLY 68 H GLY 68 -0.141 15.444 -11.378 501 HA2 GLY 68 1HA GLY 68 -0.159 17.092 -13.498 502 HA3 GLY 68 2HA GLY 68 -1.776 16.406 -13.573 503 HA PRO 69 HA PRO 69 -1.979 20.190 -10.925 504 HB2 PRO 69 1HB PRO 69 -4.277 21.118 -12.034 505 HB3 PRO 69 2HB PRO 69 -2.679 21.464 -12.705 506 HG2 PRO 69 1HG PRO 69 -4.686 19.411 -13.553 507 HG3 PRO 69 2HG PRO 69 -3.692 20.485 -14.555 508 HD2 PRO 69 1HD PRO 69 -3.060 17.885 -14.137 509 HD3 PRO 69 2HD PRO 69 -1.828 19.143 -14.367 510 H SER 70 H SER 70 -3.581 20.763 -9.337 511 HA SER 70 HA SER 70 -5.165 18.453 -8.504 512 HB2 SER 70 1HB SER 70 -3.663 19.373 -6.827 513 HB3 SER 70 2HB SER 70 -4.380 20.972 -7.020 514 HG SER 70 HG SER 70 -6.070 18.846 -6.373 515 H SER 71 H SER 71 -5.516 21.923 -9.120 516 HA SER 71 HA SER 71 -8.370 21.846 -8.688 517 HB2 SER 71 1HB SER 71 -6.583 24.045 -9.754 518 HB3 SER 71 2HB SER 71 -8.293 24.231 -9.366 519 HG SER 71 HG SER 71 -7.568 24.699 -7.450 520 H GLY 72 H GLY 72 -9.346 20.557 -10.189 521 HA2 GLY 72 1HA GLY 72 -10.464 21.186 -12.416 522 HA3 GLY 72 2HA GLY 72 -8.818 21.136 -13.028 Start of MODEL 18 1 H1 GLY 1 H GLY 1 5.452 29.795 2.462 2 HA2 GLY 1 1HA GLY 1 7.704 30.310 3.162 3 HA3 GLY 1 2HA GLY 1 7.226 29.940 4.812 4 H SER 2 H SER 2 6.111 27.540 4.746 5 HA SER 2 HA SER 2 8.349 25.825 4.092 6 HB2 SER 2 1HB SER 2 5.715 25.259 5.470 7 HB3 SER 2 2HB SER 2 6.999 24.070 5.252 8 HG SER 2 HG SER 2 8.349 25.366 6.515 9 H SER 3 H SER 3 8.464 24.393 2.465 10 HA SER 3 HA SER 3 6.757 24.594 0.250 11 HB2 SER 3 1HB SER 3 8.982 23.844 -0.134 12 HB3 SER 3 2HB SER 3 8.818 22.530 1.030 13 HG SER 3 HG SER 3 8.417 22.385 -1.533 14 H GLY 4 H GLY 4 7.083 21.954 2.628 15 HA2 GLY 4 1HA GLY 4 4.305 21.458 2.757 16 HA3 GLY 4 2HA GLY 4 5.045 20.324 1.637 17 H SER 5 H SER 5 4.272 20.919 4.843 18 HA SER 5 HA SER 5 6.164 19.928 6.466 19 HB2 SER 5 1HB SER 5 3.209 19.356 6.427 20 HB3 SER 5 2HB SER 5 4.248 18.700 7.692 21 HG SER 5 HG SER 5 4.952 21.085 7.773 22 H SER 6 H SER 6 3.960 17.869 4.572 23 HA SER 6 HA SER 6 6.028 15.887 4.235 24 HB2 SER 6 1HB SER 6 5.021 15.377 6.491 25 HB3 SER 6 2HB SER 6 3.495 15.062 5.666 26 HG SER 6 HG SER 6 5.854 13.759 4.852 27 H GLY 7 H GLY 7 5.620 14.467 2.542 28 HA2 GLY 7 1HA GLY 7 3.871 15.383 0.529 29 HA3 GLY 7 2HA GLY 7 4.731 13.851 0.518 30 H GLU 8 H GLU 8 1.798 14.999 0.113 31 HA GLU 8 HA GLU 8 0.079 13.733 1.878 32 HB2 GLU 8 1HB GLU 8 -1.617 13.937 0.199 33 HB3 GLU 8 2HB GLU 8 -0.572 15.346 0.079 34 HG2 GLU 8 1HG GLU 8 0.659 13.981 -1.737 35 HG3 GLU 8 2HG GLU 8 -0.814 13.014 -1.771 36 HA PRO 9 HA PRO 9 0.437 9.416 1.167 37 HB2 PRO 9 1HB PRO 9 -2.108 8.608 1.660 38 HB3 PRO 9 2HB PRO 9 -1.003 9.135 2.935 39 HG2 PRO 9 1HG PRO 9 -3.186 10.661 1.570 40 HG3 PRO 9 2HG PRO 9 -2.767 10.608 3.292 41 HD2 PRO 9 1HD PRO 9 -2.028 12.651 1.675 42 HD3 PRO 9 2HD PRO 9 -1.037 12.112 3.046 43 H ILE 10 H ILE 10 -0.029 7.763 -0.313 44 HA ILE 10 HA ILE 10 -1.433 8.671 -2.732 45 HB ILE 10 HB ILE 10 0.609 6.461 -2.465 46 HG12 ILE 10 1HG1 ILE 10 0.963 9.157 -3.778 47 HG13 ILE 10 2HG1 ILE 10 1.433 8.839 -2.111 48 HG21 ILE 10 1HG2 ILE 10 -0.645 5.871 -4.313 49 HG22 ILE 10 2HG2 ILE 10 -0.974 7.545 -4.755 50 HG23 ILE 10 3HG2 ILE 10 0.626 6.858 -5.034 51 HD11 ILE 10 1HD1 ILE 10 2.597 7.743 -4.636 52 HD12 ILE 10 2HD1 ILE 10 3.400 8.573 -3.303 53 HD13 ILE 10 3HD1 ILE 10 2.825 6.919 -3.094 54 H GLU 11 H GLU 11 -3.371 7.836 -3.088 55 HA GLU 11 HA GLU 11 -4.330 5.570 -1.613 56 HB2 GLU 11 1HB GLU 11 -5.492 7.462 -3.612 57 HB3 GLU 11 2HB GLU 11 -6.323 5.944 -3.304 58 HG2 GLU 11 1HG GLU 11 -6.897 6.525 -1.173 59 HG3 GLU 11 2HG GLU 11 -5.520 7.607 -0.979 60 H ALA 12 H ALA 12 -3.636 3.599 -2.141 61 HA ALA 12 HA ALA 12 -3.400 2.903 -4.991 62 HB1 ALA 12 1HB ALA 12 -2.060 1.786 -2.544 63 HB2 ALA 12 2HB ALA 12 -2.037 0.957 -4.101 64 HB3 ALA 12 3HB ALA 12 -1.318 2.560 -3.945 65 H ILE 13 H ILE 13 -3.807 0.479 -5.385 66 HA ILE 13 HA ILE 13 -6.144 -0.421 -3.840 67 HB ILE 13 HB ILE 13 -5.879 -0.500 -6.848 68 HG12 ILE 13 1HG1 ILE 13 -6.440 1.729 -5.968 69 HG13 ILE 13 2HG1 ILE 13 -7.795 1.026 -6.844 70 HG21 ILE 13 1HG2 ILE 13 -8.125 -1.460 -6.833 71 HG22 ILE 13 2HG2 ILE 13 -6.984 -2.490 -5.971 72 HG23 ILE 13 3HG2 ILE 13 -8.110 -1.476 -5.070 73 HD11 ILE 13 1HD1 ILE 13 -7.484 1.099 -3.852 74 HD12 ILE 13 2HD1 ILE 13 -8.527 2.146 -4.816 75 HD13 ILE 13 3HD1 ILE 13 -8.847 0.413 -4.736 76 H ALA 14 H ALA 14 -6.175 -2.533 -3.316 77 HA ALA 14 HA ALA 14 -3.865 -4.098 -3.504 78 HB1 ALA 14 1HB ALA 14 -5.337 -4.578 -1.737 79 HB2 ALA 14 2HB ALA 14 -6.711 -4.779 -2.825 80 HB3 ALA 14 3HB ALA 14 -5.422 -5.983 -2.801 81 H LYS 15 H LYS 15 -3.037 -5.208 -5.138 82 HA LYS 15 HA LYS 15 -4.483 -5.541 -7.595 83 HB2 LYS 15 1HB LYS 15 -1.711 -6.019 -6.647 84 HB3 LYS 15 2HB LYS 15 -2.255 -6.981 -8.015 85 HG2 LYS 15 1HG LYS 15 -2.718 -4.050 -8.099 86 HG3 LYS 15 2HG LYS 15 -1.074 -4.647 -8.336 87 HD2 LYS 15 1HD LYS 15 -3.270 -5.955 -9.855 88 HD3 LYS 15 2HD LYS 15 -2.758 -4.343 -10.359 89 HE2 LYS 15 1HE LYS 15 -0.719 -6.473 -9.869 90 HE3 LYS 15 2HE LYS 15 -1.623 -6.456 -11.382 91 HZ1 LYS 15 1HZ LYS 15 0.223 -5.195 -11.875 92 HZ2 LYS 15 2HZ LYS 15 0.291 -4.472 -10.348 93 HZ3 LYS 15 3HZ LYS 15 -0.897 -3.999 -11.456 94 H PHE 16 H PHE 16 -3.393 -7.649 -4.984 95 HA PHE 16 HA PHE 16 -5.364 -9.624 -5.746 96 HB2 PHE 16 1HB PHE 16 -2.582 -10.677 -5.408 97 HB3 PHE 16 2HB PHE 16 -3.955 -11.398 -6.242 98 HD1 PHE 16 2HD PHE 16 -4.674 -10.414 -8.451 99 HD2 PHE 16 1HD PHE 16 -0.991 -9.416 -6.566 100 HE1 PHE 16 2HE PHE 16 -3.804 -9.588 -10.598 101 HE2 PHE 16 1HE PHE 16 -0.114 -8.587 -8.710 102 HZ PHE 16 HZ PHE 16 -1.521 -8.673 -10.730 103 H ASP 17 H ASP 17 -6.088 -10.792 -4.032 104 HA ASP 17 HA ASP 17 -5.954 -9.946 -1.483 105 HB2 ASP 17 1HB ASP 17 -6.356 -12.405 -0.816 106 HB3 ASP 17 2HB ASP 17 -7.509 -11.649 -1.913 107 H TYR 18 H TYR 18 -4.249 -9.459 -0.275 108 HA TYR 18 HA TYR 18 -2.009 -11.373 -0.185 109 HB2 TYR 18 1HB TYR 18 -1.427 -9.208 -1.269 110 HB3 TYR 18 2HB TYR 18 -1.851 -8.380 0.225 111 HD1 TYR 18 2HD TYR 18 -0.464 -8.697 2.251 112 HD2 TYR 18 1HD TYR 18 0.656 -10.360 -1.501 113 HE1 TYR 18 2HE TYR 18 1.826 -9.023 3.086 114 HE2 TYR 18 1HE TYR 18 2.949 -10.693 -0.676 115 HH TYR 18 HH TYR 18 4.353 -10.425 1.019 116 H VAL 19 H VAL 19 -1.104 -11.846 1.807 117 HA VAL 19 HA VAL 19 -2.515 -10.776 4.162 118 HB VAL 19 HB VAL 19 -3.313 -13.038 3.756 119 HG11 VAL 19 1HG1 VAL 19 -1.971 -14.904 3.470 120 HG12 VAL 19 2HG1 VAL 19 -1.088 -13.663 2.578 121 HG13 VAL 19 3HG1 VAL 19 -0.564 -14.130 4.196 122 HG21 VAL 19 1HG2 VAL 19 -1.702 -12.356 6.128 123 HG22 VAL 19 2HG2 VAL 19 -3.396 -12.831 6.004 124 HG23 VAL 19 3HG2 VAL 19 -2.130 -14.058 5.951 125 H GLY 20 H GLY 20 -1.122 -9.628 5.327 126 HA2 GLY 20 1HA GLY 20 1.585 -9.452 5.112 127 HA3 GLY 20 2HA GLY 20 0.732 -9.170 6.622 128 H ARG 21 H ARG 21 2.869 -11.211 4.918 129 HA ARG 21 HA ARG 21 2.633 -13.645 6.201 130 HB2 ARG 21 1HB ARG 21 4.865 -12.170 4.909 131 HB3 ARG 21 2HB ARG 21 5.296 -13.540 5.924 132 HG2 ARG 21 1HG ARG 21 3.299 -13.702 3.682 133 HG3 ARG 21 2HG ARG 21 5.019 -14.052 3.492 134 HD2 ARG 21 1HD ARG 21 3.456 -15.417 5.640 135 HD3 ARG 21 2HD ARG 21 3.326 -15.981 3.975 136 HE ARG 21 HE ARG 21 6.034 -15.688 4.901 137 HH11 ARG 21 2HH1 ARG 21 3.278 -17.806 4.707 138 HH12 ARG 21 1HH1 ARG 21 4.217 -19.255 4.858 139 HH21 ARG 21 2HH2 ARG 21 7.281 -17.587 5.100 140 HH22 ARG 21 1HH2 ARG 21 6.494 -19.129 5.082 141 H THR 22 H THR 22 4.272 -10.712 7.287 142 HA THR 22 HA THR 22 4.585 -11.961 9.940 143 HB THR 22 HB THR 22 6.532 -10.459 10.305 144 HG1 THR 22 1HG THR 22 6.561 -8.855 8.897 145 HG21 THR 22 1HG2 THR 22 7.288 -12.561 9.776 146 HG22 THR 22 2HG2 THR 22 7.979 -11.645 8.437 147 HG23 THR 22 3HG2 THR 22 6.495 -12.569 8.202 148 H ALA 23 H ALA 23 4.520 -10.458 11.761 149 HA ALA 23 HA ALA 23 2.266 -8.938 11.926 150 HB1 ALA 23 1HB ALA 23 3.539 -9.580 13.882 151 HB2 ALA 23 2HB ALA 23 4.847 -8.491 13.420 152 HB3 ALA 23 3HB ALA 23 3.276 -7.836 13.882 153 H ARG 24 H ARG 24 5.500 -7.808 11.011 154 HA ARG 24 HA ARG 24 5.018 -5.086 10.871 155 HB2 ARG 24 1HB ARG 24 6.881 -6.934 9.440 156 HB3 ARG 24 2HB ARG 24 6.756 -5.267 8.895 157 HG2 ARG 24 1HG ARG 24 7.337 -6.010 11.748 158 HG3 ARG 24 2HG ARG 24 8.597 -5.766 10.537 159 HD2 ARG 24 1HD ARG 24 8.017 -3.495 10.251 160 HD3 ARG 24 2HD ARG 24 6.495 -3.698 11.117 161 HE ARG 24 HE ARG 24 8.363 -4.323 12.976 162 HH11 ARG 24 2HH1 ARG 24 7.892 -1.597 10.862 163 HH12 ARG 24 1HH1 ARG 24 8.621 -0.462 11.949 164 HH21 ARG 24 2HH2 ARG 24 9.325 -2.838 14.416 165 HH22 ARG 24 1HH2 ARG 24 9.437 -1.169 13.970 166 H GLU 25 H GLU 25 4.696 -7.481 8.249 167 HA GLU 25 HA GLU 25 3.684 -5.678 6.338 168 HB2 GLU 25 1HB GLU 25 3.544 -8.673 6.609 169 HB3 GLU 25 2HB GLU 25 2.776 -7.833 5.269 170 HG2 GLU 25 1HG GLU 25 5.705 -7.854 5.953 171 HG3 GLU 25 2HG GLU 25 4.925 -8.633 4.577 172 H LEU 26 H LEU 26 1.432 -6.088 5.320 173 HA LEU 26 HA LEU 26 -0.578 -6.225 7.470 174 HB2 LEU 26 1HB LEU 26 -0.699 -4.424 5.059 175 HB3 LEU 26 2HB LEU 26 -1.828 -4.468 6.412 176 HG LEU 26 HG LEU 26 1.061 -3.642 6.658 177 HD11 LEU 26 1HD1 LEU 26 0.357 -1.857 5.468 178 HD12 LEU 26 2HD1 LEU 26 -0.302 -1.367 7.028 179 HD13 LEU 26 3HD1 LEU 26 -1.344 -2.141 5.835 180 HD21 LEU 26 1HD2 LEU 26 0.140 -4.421 8.736 181 HD22 LEU 26 2HD2 LEU 26 -1.311 -3.443 8.509 182 HD23 LEU 26 3HD2 LEU 26 0.246 -2.661 8.788 183 H SER 27 H SER 27 -2.621 -7.059 6.913 184 HA SER 27 HA SER 27 -2.589 -8.724 4.488 185 HB2 SER 27 1HB SER 27 -4.139 -10.208 5.630 186 HB3 SER 27 2HB SER 27 -2.736 -9.928 6.661 187 HG SER 27 HG SER 27 -4.209 -8.116 7.494 188 H PHE 28 H PHE 28 -3.929 -8.225 2.893 189 HA PHE 28 HA PHE 28 -6.461 -6.885 3.501 190 HB2 PHE 28 1HB PHE 28 -6.042 -5.418 1.448 191 HB3 PHE 28 2HB PHE 28 -5.143 -5.017 2.907 192 HD1 PHE 28 1HD PHE 28 -4.905 -6.608 -0.411 193 HD2 PHE 28 2HD PHE 28 -2.783 -5.101 2.957 194 HE1 PHE 28 1HE PHE 28 -2.799 -6.760 -1.674 195 HE2 PHE 28 2HE PHE 28 -0.674 -5.250 1.699 196 HZ PHE 28 HZ PHE 28 -0.680 -6.079 -0.620 197 H LYS 29 H LYS 29 -7.819 -6.742 1.408 198 HA LYS 29 HA LYS 29 -7.495 -9.265 -0.082 199 HB2 LYS 29 1HB LYS 29 -10.000 -7.902 0.906 200 HB3 LYS 29 2HB LYS 29 -10.025 -9.178 -0.304 201 HG2 LYS 29 1HG LYS 29 -10.444 -10.327 1.649 202 HG3 LYS 29 2HG LYS 29 -8.703 -10.542 1.449 203 HD2 LYS 29 1HD LYS 29 -8.807 -9.932 3.661 204 HD3 LYS 29 2HD LYS 29 -8.585 -8.356 2.899 205 HE2 LYS 29 1HE LYS 29 -10.741 -7.703 3.310 206 HE3 LYS 29 2HE LYS 29 -11.359 -9.354 3.290 207 HZ1 LYS 29 1HZ LYS 29 -9.552 -9.014 5.438 208 HZ2 LYS 29 2HZ LYS 29 -11.184 -9.452 5.482 209 HZ3 LYS 29 3HZ LYS 29 -10.747 -7.818 5.507 210 H LYS 30 H LYS 30 -7.541 -9.181 -2.253 211 HA LYS 30 HA LYS 30 -6.951 -7.054 -3.763 212 HB2 LYS 30 1HB LYS 30 -7.052 -9.248 -4.743 213 HB3 LYS 30 2HB LYS 30 -8.794 -9.327 -4.512 214 HG2 LYS 30 1HG LYS 30 -9.154 -7.634 -6.167 215 HG3 LYS 30 2HG LYS 30 -7.419 -7.340 -6.307 216 HD2 LYS 30 1HD LYS 30 -7.076 -9.552 -7.215 217 HD3 LYS 30 2HD LYS 30 -8.774 -9.957 -6.958 218 HE2 LYS 30 1HE LYS 30 -9.448 -8.272 -8.566 219 HE3 LYS 30 2HE LYS 30 -7.772 -7.766 -8.774 220 HZ1 LYS 30 1HZ LYS 30 -9.171 -10.007 -9.924 221 HZ2 LYS 30 2HZ LYS 30 -7.653 -10.407 -9.295 222 HZ3 LYS 30 3HZ LYS 30 -7.789 -9.198 -10.470 223 H GLY 31 H GLY 31 -7.829 -5.167 -4.317 224 HA2 GLY 31 1HA GLY 31 -9.644 -3.852 -5.162 225 HA3 GLY 31 2HA GLY 31 -10.759 -4.913 -4.315 226 H ALA 32 H ALA 32 -9.340 -4.909 -1.815 227 HA ALA 32 HA ALA 32 -10.563 -2.796 -0.510 228 HB1 ALA 32 1HB ALA 32 -9.248 -5.003 0.304 229 HB2 ALA 32 2HB ALA 32 -8.065 -3.761 0.717 230 HB3 ALA 32 3HB ALA 32 -9.699 -3.677 1.376 231 H SER 33 H SER 33 -10.108 -0.705 -0.220 232 HA SER 33 HA SER 33 -7.983 0.523 -1.650 233 HB2 SER 33 1HB SER 33 -10.136 1.656 -1.262 234 HB3 SER 33 2HB SER 33 -9.803 1.694 0.470 235 HG SER 33 HG SER 33 -8.050 2.847 -1.425 236 H LEU 34 H LEU 34 -5.980 1.035 -1.033 237 HA LEU 34 HA LEU 34 -5.314 0.855 1.831 238 HB2 LEU 34 1HB LEU 34 -3.434 0.111 -0.392 239 HB3 LEU 34 2HB LEU 34 -3.251 -0.192 1.334 240 HG LEU 34 HG LEU 34 -5.516 -1.463 -0.141 241 HD11 LEU 34 1HD1 LEU 34 -4.100 -3.363 -0.706 242 HD12 LEU 34 2HD1 LEU 34 -2.682 -2.494 -0.119 243 HD13 LEU 34 3HD1 LEU 34 -3.557 -1.902 -1.531 244 HD21 LEU 34 1HD2 LEU 34 -5.779 -2.187 1.959 245 HD22 LEU 34 2HD2 LEU 34 -4.143 -1.720 2.426 246 HD23 LEU 34 3HD2 LEU 34 -4.423 -3.259 1.609 247 H LEU 35 H LEU 35 -4.124 2.479 2.672 248 HA LEU 35 HA LEU 35 -3.487 4.713 0.894 249 HB2 LEU 35 1HB LEU 35 -4.821 4.766 3.180 250 HB3 LEU 35 2HB LEU 35 -3.195 4.892 3.848 251 HG LEU 35 HG LEU 35 -2.899 6.885 2.266 252 HD11 LEU 35 1HD1 LEU 35 -5.907 6.864 2.317 253 HD12 LEU 35 2HD1 LEU 35 -4.955 6.312 0.939 254 HD13 LEU 35 3HD1 LEU 35 -4.842 7.989 1.474 255 HD21 LEU 35 1HD2 LEU 35 -3.618 6.706 4.861 256 HD22 LEU 35 2HD2 LEU 35 -4.981 7.620 4.215 257 HD23 LEU 35 3HD2 LEU 35 -3.337 8.230 4.020 258 H LEU 36 H LEU 36 -1.457 5.538 0.649 259 HA LEU 36 HA LEU 36 0.730 4.048 1.945 260 HB2 LEU 36 1HB LEU 36 0.748 5.363 -0.767 261 HB3 LEU 36 2HB LEU 36 2.073 4.459 -0.038 262 HG LEU 36 HG LEU 36 -0.554 3.384 -1.046 263 HD11 LEU 36 1HD1 LEU 36 2.288 3.275 -1.938 264 HD12 LEU 36 2HD1 LEU 36 0.818 3.521 -2.881 265 HD13 LEU 36 3HD1 LEU 36 1.221 1.913 -2.279 266 HD21 LEU 36 1HD2 LEU 36 -0.280 2.060 0.815 267 HD22 LEU 36 2HD2 LEU 36 1.479 2.187 0.782 268 HD23 LEU 36 3HD2 LEU 36 0.646 1.159 -0.386 269 H TYR 37 H TYR 37 2.377 5.176 2.868 270 HA TYR 37 HA TYR 37 2.104 8.109 2.879 271 HB2 TYR 37 1HB TYR 37 3.238 6.290 5.014 272 HB3 TYR 37 2HB TYR 37 3.182 8.047 5.104 273 HD1 TYR 37 1HD TYR 37 0.524 8.716 4.180 274 HD2 TYR 37 2HD TYR 37 1.781 5.455 6.606 275 HE1 TYR 37 1HE TYR 37 -1.722 8.597 5.174 276 HE2 TYR 37 2HE TYR 37 -0.462 5.326 7.606 277 HH TYR 37 HH TYR 37 -2.629 6.004 7.361 278 H GLN 38 H GLN 38 4.498 5.487 3.096 279 HA GLN 38 HA GLN 38 6.352 7.123 1.538 280 HB2 GLN 38 1HB GLN 38 6.692 7.175 4.168 281 HB3 GLN 38 2HB GLN 38 7.487 5.636 3.861 282 HG2 GLN 38 1HG GLN 38 8.254 7.954 2.178 283 HG3 GLN 38 2HG GLN 38 8.801 7.926 3.854 284 HE21 GLN 38 1HE2 GLN 38 10.246 7.667 1.273 285 HE22 GLN 38 2HE2 GLN 38 11.148 6.199 1.408 286 H ARG 39 H ARG 39 8.314 5.785 0.889 287 HA ARG 39 HA ARG 39 7.370 3.110 0.129 288 HB2 ARG 39 1HB ARG 39 7.936 4.659 -1.710 289 HB3 ARG 39 2HB ARG 39 9.575 4.784 -1.085 290 HG2 ARG 39 1HG ARG 39 9.899 3.219 -2.698 291 HG3 ARG 39 2HG ARG 39 9.502 2.160 -1.343 292 HD2 ARG 39 1HD ARG 39 7.266 1.891 -2.101 293 HD3 ARG 39 2HD ARG 39 7.446 3.181 -3.290 294 HE ARG 39 HE ARG 39 8.295 0.439 -3.555 295 HH11 ARG 39 2HH1 ARG 39 8.695 3.708 -4.684 296 HH12 ARG 39 1HH1 ARG 39 9.331 3.236 -6.225 297 HH21 ARG 39 2HH2 ARG 39 9.132 -0.195 -5.580 298 HH22 ARG 39 1HH2 ARG 39 9.578 1.016 -6.734 299 H ALA 40 H ALA 40 7.980 1.844 1.837 300 HA ALA 40 HA ALA 40 10.335 2.014 3.309 301 HB1 ALA 40 1HB ALA 40 9.862 -0.566 3.589 302 HB2 ALA 40 2HB ALA 40 8.810 0.647 4.320 303 HB3 ALA 40 3HB ALA 40 8.340 -0.133 2.809 304 H SER 41 H SER 41 9.644 0.246 0.326 305 HA SER 41 HA SER 41 12.392 0.267 -0.442 306 HB2 SER 41 1HB SER 41 12.311 -1.630 1.223 307 HB3 SER 41 2HB SER 41 11.214 -2.462 0.121 308 HG SER 41 HG SER 41 12.838 -2.494 -1.424 309 H ASP 42 H ASP 42 12.724 -0.862 -2.543 310 HA ASP 42 HA ASP 42 10.897 -0.078 -4.451 311 HB2 ASP 42 1HB ASP 42 12.094 -1.549 -6.013 312 HB3 ASP 42 2HB ASP 42 13.215 -0.668 -4.980 313 H ASP 43 H ASP 43 10.962 -2.996 -2.554 314 HA ASP 43 HA ASP 43 8.559 -3.939 -3.977 315 HB2 ASP 43 1HB ASP 43 10.804 -5.342 -3.897 316 HB3 ASP 43 2HB ASP 43 10.195 -5.799 -2.308 317 H TRP 44 H TRP 44 8.750 -2.035 -1.738 318 HA TRP 44 HA TRP 44 6.758 -3.266 -0.052 319 HB2 TRP 44 1HB TRP 44 9.445 -2.441 1.057 320 HB3 TRP 44 2HB TRP 44 8.013 -2.660 2.059 321 HD1 TRP 44 HD TRP 44 10.953 -4.495 1.014 322 HE1 TRP 44 1HE TRP 44 10.635 -7.035 1.284 323 HE3 TRP 44 3HE TRP 44 5.875 -4.620 1.593 324 HZ2 TRP 44 2HZ TRP 44 8.513 -8.851 1.688 325 HZ3 TRP 44 3HZ TRP 44 4.778 -6.799 1.915 326 HH2 TRP 44 HH TRP 44 6.071 -8.869 1.961 327 H TRP 45 H TRP 45 5.863 -1.688 1.535 328 HA TRP 45 HA TRP 45 6.397 1.111 0.912 329 HB2 TRP 45 1HB TRP 45 3.813 -0.312 0.359 330 HB3 TRP 45 2HB TRP 45 3.805 1.397 0.785 331 HD1 TRP 45 HD TRP 45 5.064 -0.981 -1.966 332 HE1 TRP 45 1HE TRP 45 5.452 0.394 -4.108 333 HE3 TRP 45 3HE TRP 45 4.246 3.702 -0.085 334 HZ2 TRP 45 2HZ TRP 45 5.416 3.104 -4.895 335 HZ3 TRP 45 3HZ TRP 45 4.443 5.632 -1.598 336 HH2 TRP 45 HH TRP 45 5.016 5.337 -3.953 337 H GLU 46 H GLU 46 5.086 2.574 2.373 338 HA GLU 46 HA GLU 46 4.598 1.284 4.975 339 HB2 GLU 46 1HB GLU 46 6.034 3.896 4.475 340 HB3 GLU 46 2HB GLU 46 5.569 3.296 6.061 341 HG2 GLU 46 1HG GLU 46 6.951 1.186 5.252 342 HG3 GLU 46 2HG GLU 46 7.738 2.405 4.251 343 H GLY 47 H GLY 47 2.394 1.344 4.929 344 HA2 GLY 47 1HA GLY 47 1.197 4.028 5.006 345 HA3 GLY 47 2HA GLY 47 0.503 2.814 3.942 346 H ARG 48 H ARG 48 -1.485 2.840 5.006 347 HA ARG 48 HA ARG 48 -1.481 1.382 7.551 348 HB2 ARG 48 1HB ARG 48 -1.825 3.662 8.214 349 HB3 ARG 48 2HB ARG 48 -3.023 3.906 6.950 350 HG2 ARG 48 1HG ARG 48 -4.335 2.038 8.166 351 HG3 ARG 48 2HG ARG 48 -3.272 2.412 9.524 352 HD2 ARG 48 1HD ARG 48 -4.979 3.852 9.979 353 HD3 ARG 48 2HD ARG 48 -3.998 4.887 8.942 354 HE ARG 48 HE ARG 48 -6.020 3.337 7.575 355 HH11 ARG 48 2HH1 ARG 48 -5.213 6.344 9.132 356 HH12 ARG 48 1HH1 ARG 48 -6.457 7.244 8.328 357 HH21 ARG 48 2HH2 ARG 48 -7.661 4.511 6.511 358 HH22 ARG 48 1HH2 ARG 48 -7.849 6.200 6.839 359 H HIS 49 H HIS 49 -3.267 0.045 7.895 360 HA HIS 49 HA HIS 49 -5.239 -0.143 5.737 361 HB2 HIS 49 1HB HIS 49 -3.638 -1.781 5.073 362 HB3 HIS 49 2HB HIS 49 -3.475 -2.386 6.719 363 HD1 HIS 49 1HD HIS 49 -4.924 -4.314 7.347 364 HD2 HIS 49 2HD HIS 49 -6.237 -2.416 3.892 365 HE1 HIS 49 1HE HIS 49 -6.791 -5.747 6.460 366 HE2 HIS 49 2HE HIS 49 -7.513 -4.625 4.324 367 H ASN 50 H ASN 50 -7.165 0.026 6.658 368 HA ASN 50 HA ASN 50 -8.856 -0.078 8.181 369 HB2 ASN 50 1HB ASN 50 -7.535 -2.758 8.379 370 HB3 ASN 50 2HB ASN 50 -8.840 -2.358 9.493 371 HD21 ASN 50 1HD2 ASN 50 -9.766 -4.253 8.330 372 HD22 ASN 50 2HD2 ASN 50 -10.679 -3.938 6.898 373 H GLY 51 H GLY 51 -6.478 1.280 9.035 374 HA2 GLY 51 1HA GLY 51 -5.956 2.405 11.001 375 HA3 GLY 51 2HA GLY 51 -7.014 1.308 11.876 376 H ILE 52 H ILE 52 -4.409 0.268 9.766 377 HA ILE 52 HA ILE 52 -2.793 -0.447 12.110 378 HB ILE 52 HB ILE 52 -3.379 -2.351 9.840 379 HG12 ILE 52 1HG1 ILE 52 -4.258 -2.542 12.727 380 HG13 ILE 52 2HG1 ILE 52 -5.292 -1.963 11.425 381 HG21 ILE 52 1HG2 ILE 52 -2.251 -3.553 12.181 382 HG22 ILE 52 2HG2 ILE 52 -1.633 -3.534 10.530 383 HG23 ILE 52 3HG2 ILE 52 -1.224 -2.226 11.640 384 HD11 ILE 52 1HD1 ILE 52 -4.065 -4.546 10.870 385 HD12 ILE 52 2HD1 ILE 52 -5.114 -4.543 12.288 386 HD13 ILE 52 3HD1 ILE 52 -5.744 -4.026 10.724 387 H ASP 53 H ASP 53 -0.827 0.360 11.873 388 HA ASP 53 HA ASP 53 0.142 1.093 9.231 389 HB2 ASP 53 1HB ASP 53 1.659 2.493 10.295 390 HB3 ASP 53 2HB ASP 53 0.307 2.503 11.424 391 H GLY 54 H GLY 54 1.554 -0.059 8.083 392 HA2 GLY 54 1HA GLY 54 3.603 -1.653 9.290 393 HA3 GLY 54 2HA GLY 54 2.304 -2.642 8.639 394 H LEU 55 H LEU 55 3.621 -3.581 7.071 395 HA LEU 55 HA LEU 55 4.701 -1.775 5.021 396 HB2 LEU 55 1HB LEU 55 5.314 -4.615 5.772 397 HB3 LEU 55 2HB LEU 55 5.831 -3.932 4.232 398 HG LEU 55 HG LEU 55 6.629 -2.891 6.950 399 HD11 LEU 55 1HD1 LEU 55 8.104 -4.604 4.959 400 HD12 LEU 55 2HD1 LEU 55 7.637 -5.036 6.604 401 HD13 LEU 55 3HD1 LEU 55 8.860 -3.794 6.332 402 HD21 LEU 55 1HD2 LEU 55 7.530 -2.151 4.168 403 HD22 LEU 55 2HD2 LEU 55 8.263 -1.572 5.664 404 HD23 LEU 55 3HD2 LEU 55 6.597 -1.143 5.273 405 H ILE 56 H ILE 56 4.327 -2.214 2.797 406 HA ILE 56 HA ILE 56 2.099 -4.030 2.206 407 HB ILE 56 HB ILE 56 2.256 -1.127 1.404 408 HG12 ILE 56 1HG1 ILE 56 -0.127 -2.486 2.603 409 HG13 ILE 56 2HG1 ILE 56 1.215 -2.030 3.647 410 HG21 ILE 56 1HG2 ILE 56 1.163 -1.591 -0.469 411 HG22 ILE 56 2HG2 ILE 56 1.231 -3.312 -0.092 412 HG23 ILE 56 3HG2 ILE 56 -0.129 -2.341 0.470 413 HD11 ILE 56 1HD1 ILE 56 0.520 0.066 3.702 414 HD12 ILE 56 2HD1 ILE 56 0.508 0.160 1.940 415 HD13 ILE 56 3HD1 ILE 56 -0.912 -0.435 2.802 416 HA PRO 57 HA PRO 57 4.883 -5.197 -1.040 417 HB2 PRO 57 1HB PRO 57 3.181 -6.871 -2.334 418 HB3 PRO 57 2HB PRO 57 3.992 -7.304 -0.824 419 HG2 PRO 57 1HG PRO 57 1.202 -6.311 -1.257 420 HG3 PRO 57 2HG PRO 57 1.775 -7.610 -0.195 421 HD2 PRO 57 1HD PRO 57 1.184 -5.132 0.722 422 HD3 PRO 57 2HD PRO 57 2.454 -6.140 1.445 423 H HIS 58 H HIS 58 5.347 -4.327 -2.972 424 HA HIS 58 HA HIS 58 3.450 -2.529 -4.196 425 HB2 HIS 58 1HB HIS 58 5.807 -1.886 -4.014 426 HB3 HIS 58 2HB HIS 58 6.271 -3.267 -5.004 427 HD2 HIS 58 2HD HIS 58 5.377 -3.054 -7.757 428 HE1 HIS 58 1HE HIS 58 4.984 1.164 -7.536 429 HE2 HIS 58 2HE HIS 58 5.003 -0.847 -9.052 430 H GLN 59 H GLN 59 4.050 -5.789 -4.440 431 HA GLN 59 HA GLN 59 3.508 -5.996 -7.291 432 HB2 GLN 59 1HB GLN 59 4.012 -8.082 -5.166 433 HB3 GLN 59 2HB GLN 59 3.674 -8.463 -6.849 434 HG2 GLN 59 1HG GLN 59 6.011 -6.853 -5.848 435 HG3 GLN 59 2HG GLN 59 6.060 -8.538 -6.362 436 HE21 GLN 59 1HE2 GLN 59 5.032 -8.836 -8.625 437 HE22 GLN 59 2HE2 GLN 59 5.579 -7.723 -9.828 438 H TYR 60 H TYR 60 1.865 -6.282 -4.245 439 HA TYR 60 HA TYR 60 -0.541 -7.281 -5.611 440 HB2 TYR 60 1HB TYR 60 0.136 -7.249 -2.663 441 HB3 TYR 60 2HB TYR 60 -1.360 -7.867 -3.354 442 HD1 TYR 60 2HD TYR 60 2.336 -8.330 -3.640 443 HD2 TYR 60 1HD TYR 60 -1.515 -10.131 -3.802 444 HE1 TYR 60 2HE TYR 60 3.386 -10.536 -3.921 445 HE2 TYR 60 1HE TYR 60 -0.476 -12.342 -4.082 446 HH TYR 60 HH TYR 60 1.435 -13.492 -4.086 447 H ILE 61 H ILE 61 0.396 -4.522 -5.719 448 HA ILE 61 HA ILE 61 -2.079 -3.246 -4.965 449 HB ILE 61 HB ILE 61 -1.124 -1.490 -3.614 450 HG12 ILE 61 1HG1 ILE 61 1.347 -2.057 -2.798 451 HG13 ILE 61 2HG1 ILE 61 1.437 -2.805 -4.388 452 HG21 ILE 61 1HG2 ILE 61 -0.623 -2.728 -1.605 453 HG22 ILE 61 2HG2 ILE 61 -1.883 -3.565 -2.510 454 HG23 ILE 61 3HG2 ILE 61 -0.224 -4.163 -2.550 455 HD11 ILE 61 1HD1 ILE 61 2.150 -0.737 -4.943 456 HD12 ILE 61 2HD1 ILE 61 0.416 -0.453 -5.098 457 HD13 ILE 61 3HD1 ILE 61 1.263 0.042 -3.633 458 H VAL 62 H VAL 62 -2.321 -1.127 -5.886 459 HA VAL 62 HA VAL 62 -0.425 -0.603 -8.084 460 HB VAL 62 HB VAL 62 -3.406 -0.107 -8.056 461 HG11 VAL 62 1HG1 VAL 62 -2.194 0.081 -10.641 462 HG12 VAL 62 2HG1 VAL 62 -3.123 1.292 -9.756 463 HG13 VAL 62 3HG1 VAL 62 -1.378 1.177 -9.526 464 HG21 VAL 62 1HG2 VAL 62 -3.484 -2.274 -8.615 465 HG22 VAL 62 2HG2 VAL 62 -2.852 -1.749 -10.176 466 HG23 VAL 62 3HG2 VAL 62 -1.751 -2.349 -8.936 467 H VAL 63 H VAL 63 0.802 1.031 -7.328 468 HA VAL 63 HA VAL 63 -0.204 3.124 -5.669 469 HB VAL 63 HB VAL 63 2.387 2.964 -7.216 470 HG11 VAL 63 1HG1 VAL 63 1.840 5.264 -6.676 471 HG12 VAL 63 2HG1 VAL 63 1.544 4.822 -4.993 472 HG13 VAL 63 3HG1 VAL 63 3.171 4.705 -5.664 473 HG21 VAL 63 1HG2 VAL 63 2.990 2.678 -4.566 474 HG22 VAL 63 2HG2 VAL 63 1.466 1.800 -4.694 475 HG23 VAL 63 3HG2 VAL 63 2.829 1.353 -5.720 476 H GLN 64 H GLN 64 -1.784 4.338 -6.583 477 HA GLN 64 HA GLN 64 -1.793 5.172 -9.294 478 HB2 GLN 64 1HB GLN 64 -3.293 6.361 -6.955 479 HB3 GLN 64 2HB GLN 64 -3.671 6.592 -8.657 480 HG2 GLN 64 1HG GLN 64 -3.587 3.820 -7.592 481 HG3 GLN 64 2HG GLN 64 -4.962 4.844 -7.178 482 HE21 GLN 64 1HE2 GLN 64 -5.433 2.609 -8.584 483 HE22 GLN 64 2HE2 GLN 64 -5.832 2.985 -10.222 484 H ASP 65 H ASP 65 -0.099 6.354 -9.983 485 HA ASP 65 HA ASP 65 0.556 8.800 -8.475 486 HB2 ASP 65 1HB ASP 65 2.800 8.677 -9.358 487 HB3 ASP 65 2HB ASP 65 2.400 7.128 -8.620 488 H THR 66 H THR 66 -0.352 10.509 -9.400 489 HA THR 66 HA THR 66 0.232 11.242 -12.081 490 HB THR 66 HB THR 66 -1.514 9.638 -12.635 491 HG1 THR 66 1HG THR 66 -3.093 11.364 -13.464 492 HG21 THR 66 1HG2 THR 66 -3.791 11.026 -11.543 493 HG22 THR 66 2HG2 THR 66 -2.699 10.520 -10.254 494 HG23 THR 66 3HG2 THR 66 -3.336 9.330 -11.387 495 H SER 67 H SER 67 0.541 13.351 -11.871 496 HA SER 67 HA SER 67 -0.592 14.869 -9.739 497 HB2 SER 67 1HB SER 67 0.582 16.777 -10.756 498 HB3 SER 67 2HB SER 67 1.640 15.371 -10.640 499 HG SER 67 HG SER 67 0.970 16.757 -12.808 500 H GLY 68 H GLY 68 -2.204 16.389 -9.759 501 HA2 GLY 68 1HA GLY 68 -3.855 16.453 -12.208 502 HA3 GLY 68 2HA GLY 68 -4.507 16.549 -10.579 503 HA PRO 69 HA PRO 69 -4.338 20.868 -12.115 504 HB2 PRO 69 1HB PRO 69 -6.617 21.628 -10.850 505 HB3 PRO 69 2HB PRO 69 -6.613 20.841 -12.433 506 HG2 PRO 69 1HG PRO 69 -7.109 19.655 -9.729 507 HG3 PRO 69 2HG PRO 69 -7.972 19.369 -11.252 508 HD2 PRO 69 1HD PRO 69 -6.111 17.655 -10.288 509 HD3 PRO 69 2HD PRO 69 -6.376 17.899 -12.027 510 H SER 70 H SER 70 -3.370 22.510 -11.071 511 HA SER 70 HA SER 70 -2.157 22.302 -8.640 512 HB2 SER 70 1HB SER 70 -1.833 24.693 -8.681 513 HB3 SER 70 2HB SER 70 -1.762 24.102 -10.342 514 HG SER 70 HG SER 70 -3.673 25.692 -9.093 515 H SER 71 H SER 71 -2.742 22.365 -6.567 516 HA SER 71 HA SER 71 -5.250 22.088 -5.604 517 HB2 SER 71 1HB SER 71 -3.272 21.825 -4.194 518 HB3 SER 71 2HB SER 71 -2.989 23.565 -4.234 519 HG SER 71 HG SER 71 -4.799 23.889 -3.019 520 H GLY 72 H GLY 72 -6.667 23.536 -4.359 521 HA2 GLY 72 1HA GLY 72 -7.022 26.024 -3.930 522 HA3 GLY 72 2HA GLY 72 -6.824 26.174 -5.670 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -5.394 21.688 8.927 2 HA2 GLY 1 1HA GLY 1 -3.284 20.816 7.474 3 HA3 GLY 1 2HA GLY 1 -4.010 22.012 6.410 4 H SER 2 H SER 2 -1.458 22.395 7.233 5 HA SER 2 HA SER 2 -1.739 24.771 8.915 6 HB2 SER 2 1HB SER 2 -0.098 22.366 9.540 7 HB3 SER 2 2HB SER 2 0.615 23.943 9.879 8 HG SER 2 HG SER 2 -2.001 23.617 10.709 9 H SER 3 H SER 3 0.127 26.224 8.759 10 HA SER 3 HA SER 3 0.937 26.567 6.065 11 HB2 SER 3 1HB SER 3 1.895 27.916 8.600 12 HB3 SER 3 2HB SER 3 2.319 28.439 6.969 13 HG SER 3 HG SER 3 -0.256 28.373 8.154 14 H GLY 4 H GLY 4 2.481 25.502 5.032 15 HA2 GLY 4 1HA GLY 4 5.059 25.317 5.260 16 HA3 GLY 4 2HA GLY 4 4.636 24.258 6.597 17 H SER 5 H SER 5 6.137 23.584 4.227 18 HA SER 5 HA SER 5 4.577 22.204 2.335 19 HB2 SER 5 1HB SER 5 6.698 21.024 1.772 20 HB3 SER 5 2HB SER 5 6.891 22.775 1.866 21 HG SER 5 HG SER 5 8.173 22.545 3.525 22 H SER 6 H SER 6 3.741 20.191 2.271 23 HA SER 6 HA SER 6 4.520 18.161 4.167 24 HB2 SER 6 1HB SER 6 1.840 19.530 4.338 25 HB3 SER 6 2HB SER 6 2.077 17.884 4.925 26 HG SER 6 HG SER 6 3.406 18.609 6.479 27 H GLY 7 H GLY 7 4.332 16.208 3.260 28 HA2 GLY 7 1HA GLY 7 3.212 15.998 0.612 29 HA3 GLY 7 2HA GLY 7 4.029 14.724 1.506 30 H GLU 8 H GLU 8 1.736 14.271 -0.024 31 HA GLU 8 HA GLU 8 -0.284 13.756 2.060 32 HB2 GLU 8 1HB GLU 8 -2.004 13.943 0.430 33 HB3 GLU 8 2HB GLU 8 -0.952 15.334 0.206 34 HG2 GLU 8 1HG GLU 8 0.124 14.230 -1.680 35 HG3 GLU 8 2HG GLU 8 -0.908 12.820 -1.450 36 HA PRO 9 HA PRO 9 0.176 9.441 1.395 37 HB2 PRO 9 1HB PRO 9 -2.342 8.575 1.924 38 HB3 PRO 9 2HB PRO 9 -1.237 9.144 3.182 39 HG2 PRO 9 1HG PRO 9 -3.473 10.600 1.822 40 HG3 PRO 9 2HG PRO 9 -3.034 10.577 3.540 41 HD2 PRO 9 1HD PRO 9 -2.364 12.618 1.893 42 HD3 PRO 9 2HD PRO 9 -1.345 12.120 3.259 43 H ILE 10 H ILE 10 -0.049 7.903 -0.180 44 HA ILE 10 HA ILE 10 -1.573 8.701 -2.550 45 HB ILE 10 HB ILE 10 0.563 6.585 -2.263 46 HG12 ILE 10 1HG1 ILE 10 0.770 9.233 -3.693 47 HG13 ILE 10 2HG1 ILE 10 1.240 9.035 -2.008 48 HG21 ILE 10 1HG2 ILE 10 -0.674 5.863 -4.071 49 HG22 ILE 10 2HG2 ILE 10 -1.115 7.499 -4.556 50 HG23 ILE 10 3HG2 ILE 10 0.520 6.905 -4.845 51 HD11 ILE 10 1HD1 ILE 10 2.421 7.588 -4.366 52 HD12 ILE 10 2HD1 ILE 10 3.169 8.898 -3.452 53 HD13 ILE 10 3HD1 ILE 10 2.875 7.340 -2.680 54 H GLU 11 H GLU 11 -3.449 7.763 -2.984 55 HA GLU 11 HA GLU 11 -4.304 5.439 -1.496 56 HB2 GLU 11 1HB GLU 11 -5.603 7.394 -3.337 57 HB3 GLU 11 2HB GLU 11 -6.368 5.827 -3.115 58 HG2 GLU 11 1HG GLU 11 -6.847 6.217 -0.902 59 HG3 GLU 11 2HG GLU 11 -5.564 7.413 -0.725 60 H ALA 12 H ALA 12 -3.595 3.510 -2.138 61 HA ALA 12 HA ALA 12 -3.418 2.955 -5.022 62 HB1 ALA 12 1HB ALA 12 -2.240 0.917 -3.356 63 HB2 ALA 12 2HB ALA 12 -1.504 1.898 -4.624 64 HB3 ALA 12 3HB ALA 12 -1.584 2.509 -2.972 65 H ILE 13 H ILE 13 -3.759 0.512 -5.487 66 HA ILE 13 HA ILE 13 -6.108 -0.445 -3.990 67 HB ILE 13 HB ILE 13 -5.752 -0.540 -6.989 68 HG12 ILE 13 1HG1 ILE 13 -6.348 1.697 -6.122 69 HG13 ILE 13 2HG1 ILE 13 -7.651 0.989 -7.071 70 HG21 ILE 13 1HG2 ILE 13 -7.586 -1.905 -5.122 71 HG22 ILE 13 2HG2 ILE 13 -8.312 -1.232 -6.581 72 HG23 ILE 13 3HG2 ILE 13 -7.000 -2.403 -6.709 73 HD11 ILE 13 1HD1 ILE 13 -7.490 1.450 -4.130 74 HD12 ILE 13 2HD1 ILE 13 -8.767 1.880 -5.268 75 HD13 ILE 13 3HD1 ILE 13 -8.552 0.200 -4.778 76 H ALA 14 H ALA 14 -6.005 -2.499 -3.341 77 HA ALA 14 HA ALA 14 -3.679 -4.034 -3.583 78 HB1 ALA 14 1HB ALA 14 -4.718 -5.585 -2.253 79 HB2 ALA 14 2HB ALA 14 -5.691 -4.156 -1.901 80 HB3 ALA 14 3HB ALA 14 -6.285 -5.370 -3.035 81 H LYS 15 H LYS 15 -2.912 -5.177 -5.224 82 HA LYS 15 HA LYS 15 -4.438 -5.610 -7.601 83 HB2 LYS 15 1HB LYS 15 -1.654 -6.183 -6.705 84 HB3 LYS 15 2HB LYS 15 -2.278 -7.092 -8.076 85 HG2 LYS 15 1HG LYS 15 -2.968 -4.669 -8.893 86 HG3 LYS 15 2HG LYS 15 -1.626 -4.210 -7.842 87 HD2 LYS 15 1HD LYS 15 -0.624 -4.519 -9.929 88 HD3 LYS 15 2HD LYS 15 -0.299 -6.031 -9.078 89 HE2 LYS 15 1HE LYS 15 -2.025 -7.161 -10.260 90 HE3 LYS 15 2HE LYS 15 -2.647 -5.651 -10.925 91 HZ1 LYS 15 1HZ LYS 15 -0.131 -7.048 -11.621 92 HZ2 LYS 15 2HZ LYS 15 -0.416 -5.437 -12.049 93 HZ3 LYS 15 3HZ LYS 15 -1.426 -6.659 -12.638 94 H PHE 16 H PHE 16 -3.300 -7.657 -4.957 95 HA PHE 16 HA PHE 16 -5.303 -9.644 -5.677 96 HB2 PHE 16 1HB PHE 16 -2.555 -10.662 -5.071 97 HB3 PHE 16 2HB PHE 16 -3.867 -11.445 -5.945 98 HD1 PHE 16 2HD PHE 16 -4.297 -10.902 -8.287 99 HD2 PHE 16 1HD PHE 16 -1.017 -9.201 -6.175 100 HE1 PHE 16 2HE PHE 16 -3.278 -10.226 -10.422 101 HE2 PHE 16 1HE PHE 16 0.007 -8.522 -8.307 102 HZ PHE 16 HZ PHE 16 -1.123 -9.035 -10.434 103 H ASP 17 H ASP 17 -6.091 -10.785 -3.950 104 HA ASP 17 HA ASP 17 -6.024 -9.697 -1.425 105 HB2 ASP 17 1HB ASP 17 -6.806 -12.020 -0.663 106 HB3 ASP 17 2HB ASP 17 -7.779 -11.200 -1.881 107 H TYR 18 H TYR 18 -4.199 -9.312 -0.329 108 HA TYR 18 HA TYR 18 -2.256 -11.507 -0.048 109 HB2 TYR 18 1HB TYR 18 -1.474 -9.338 -1.090 110 HB3 TYR 18 2HB TYR 18 -1.746 -8.576 0.473 111 HD1 TYR 18 1HD TYR 18 0.362 -10.902 -1.413 112 HD2 TYR 18 2HD TYR 18 -0.286 -9.040 2.357 113 HE1 TYR 18 1HE TYR 18 2.613 -11.586 -0.695 114 HE2 TYR 18 2HE TYR 18 1.963 -9.717 3.085 115 HH TYR 18 HH TYR 18 4.338 -10.679 1.063 116 H VAL 19 H VAL 19 -1.326 -11.901 2.011 117 HA VAL 19 HA VAL 19 -2.805 -10.773 4.291 118 HB VAL 19 HB VAL 19 -3.707 -13.001 3.839 119 HG11 VAL 19 1HG1 VAL 19 -0.973 -14.115 4.413 120 HG12 VAL 19 2HG1 VAL 19 -2.404 -14.972 3.837 121 HG13 VAL 19 3HG1 VAL 19 -1.568 -13.837 2.776 122 HG21 VAL 19 1HG2 VAL 19 -3.858 -12.541 6.093 123 HG22 VAL 19 2HG2 VAL 19 -2.952 -14.054 6.106 124 HG23 VAL 19 3HG2 VAL 19 -2.109 -12.520 6.315 125 H GLY 20 H GLY 20 -1.407 -9.726 5.540 126 HA2 GLY 20 1HA GLY 20 1.355 -9.833 5.401 127 HA3 GLY 20 2HA GLY 20 0.456 -9.271 6.803 128 H ARG 21 H ARG 21 2.609 -11.561 5.664 129 HA ARG 21 HA ARG 21 1.935 -13.839 7.164 130 HB2 ARG 21 1HB ARG 21 4.558 -12.815 6.090 131 HB3 ARG 21 2HB ARG 21 4.435 -14.335 6.965 132 HG2 ARG 21 1HG ARG 21 2.886 -15.191 5.298 133 HG3 ARG 21 2HG ARG 21 2.956 -13.655 4.431 134 HD2 ARG 21 1HD ARG 21 4.427 -15.113 3.296 135 HD3 ARG 21 2HD ARG 21 5.448 -14.026 4.237 136 HE ARG 21 HE ARG 21 6.112 -15.807 5.541 137 HH11 ARG 21 2HH1 ARG 21 3.468 -16.753 3.483 138 HH12 ARG 21 1HH1 ARG 21 3.638 -18.443 3.821 139 HH21 ARG 21 2HH2 ARG 21 6.346 -18.030 5.994 140 HH22 ARG 21 1HH2 ARG 21 5.275 -19.169 5.250 141 H THR 22 H THR 22 3.754 -10.941 7.975 142 HA THR 22 HA THR 22 3.934 -11.905 10.755 143 HB THR 22 HB THR 22 5.913 -10.493 11.052 144 HG1 THR 22 1HG THR 22 6.048 -8.909 9.644 145 HG21 THR 22 1HG2 THR 22 6.404 -12.137 8.587 146 HG22 THR 22 2HG2 THR 22 6.008 -12.894 10.129 147 HG23 THR 22 3HG2 THR 22 7.453 -11.895 9.983 148 H ALA 23 H ALA 23 4.124 -10.026 12.346 149 HA ALA 23 HA ALA 23 1.790 -8.506 12.287 150 HB1 ALA 23 1HB ALA 23 2.776 -7.253 14.177 151 HB2 ALA 23 2HB ALA 23 2.908 -9.003 14.363 152 HB3 ALA 23 3HB ALA 23 4.315 -8.059 13.872 153 H ARG 24 H ARG 24 5.095 -7.644 11.368 154 HA ARG 24 HA ARG 24 4.767 -4.913 10.987 155 HB2 ARG 24 1HB ARG 24 6.588 -6.977 9.837 156 HB3 ARG 24 2HB ARG 24 6.555 -5.386 9.088 157 HG2 ARG 24 1HG ARG 24 6.873 -5.571 12.041 158 HG3 ARG 24 2HG ARG 24 8.250 -5.949 11.004 159 HD2 ARG 24 1HD ARG 24 8.399 -3.801 10.190 160 HD3 ARG 24 2HD ARG 24 6.699 -3.452 10.504 161 HE ARG 24 HE ARG 24 8.907 -3.177 12.350 162 HH11 ARG 24 2HH1 ARG 24 5.456 -3.400 11.952 163 HH12 ARG 24 1HH1 ARG 24 5.101 -2.633 13.465 164 HH21 ARG 24 2HH2 ARG 24 8.453 -2.166 14.344 165 HH22 ARG 24 1HH2 ARG 24 6.807 -1.931 14.824 166 H GLU 25 H GLU 25 4.372 -7.534 8.606 167 HA GLU 25 HA GLU 25 3.532 -5.860 6.494 168 HB2 GLU 25 1HB GLU 25 3.508 -8.782 7.039 169 HB3 GLU 25 2HB GLU 25 2.432 -8.191 5.781 170 HG2 GLU 25 1HG GLU 25 5.257 -7.294 5.723 171 HG3 GLU 25 2HG GLU 25 4.903 -8.960 5.268 172 H LEU 26 H LEU 26 1.301 -6.250 5.433 173 HA LEU 26 HA LEU 26 -0.796 -6.168 7.497 174 HB2 LEU 26 1HB LEU 26 -0.693 -4.430 5.039 175 HB3 LEU 26 2HB LEU 26 -1.908 -4.387 6.315 176 HG LEU 26 HG LEU 26 0.997 -3.674 6.704 177 HD11 LEU 26 1HD1 LEU 26 0.449 -1.419 6.501 178 HD12 LEU 26 2HD1 LEU 26 -1.283 -1.731 6.611 179 HD13 LEU 26 3HD1 LEU 26 -0.398 -2.180 5.154 180 HD21 LEU 26 1HD2 LEU 26 -1.387 -3.147 8.470 181 HD22 LEU 26 2HD2 LEU 26 0.308 -2.824 8.831 182 HD23 LEU 26 3HD2 LEU 26 -0.263 -4.487 8.696 183 H SER 27 H SER 27 -2.755 -7.091 6.979 184 HA SER 27 HA SER 27 -2.741 -8.757 4.563 185 HB2 SER 27 1HB SER 27 -4.267 -10.214 5.677 186 HB3 SER 27 2HB SER 27 -3.029 -9.799 6.862 187 HG SER 27 HG SER 27 -4.948 -9.523 7.890 188 H PHE 28 H PHE 28 -3.935 -8.155 2.894 189 HA PHE 28 HA PHE 28 -6.460 -6.741 3.376 190 HB2 PHE 28 1HB PHE 28 -5.925 -5.301 1.360 191 HB3 PHE 28 2HB PHE 28 -4.987 -4.958 2.809 192 HD1 PHE 28 1HD PHE 28 -4.878 -6.655 -0.474 193 HD2 PHE 28 2HD PHE 28 -2.646 -5.100 2.800 194 HE1 PHE 28 1HE PHE 28 -2.799 -6.944 -1.758 195 HE2 PHE 28 2HE PHE 28 -0.564 -5.385 1.521 196 HZ PHE 28 HZ PHE 28 -0.639 -6.307 -0.762 197 H LYS 29 H LYS 29 -7.803 -6.656 1.326 198 HA LYS 29 HA LYS 29 -7.481 -9.187 -0.150 199 HB2 LYS 29 1HB LYS 29 -10.015 -7.736 0.633 200 HB3 LYS 29 2HB LYS 29 -9.960 -9.160 -0.398 201 HG2 LYS 29 1HG LYS 29 -8.788 -9.203 2.357 202 HG3 LYS 29 2HG LYS 29 -10.513 -9.462 2.088 203 HD2 LYS 29 1HD LYS 29 -8.519 -11.027 0.506 204 HD3 LYS 29 2HD LYS 29 -8.874 -11.497 2.170 205 HE2 LYS 29 1HE LYS 29 -11.115 -11.949 1.684 206 HE3 LYS 29 2HE LYS 29 -11.072 -11.025 0.183 207 HZ1 LYS 29 1HZ LYS 29 -10.084 -12.723 -0.944 208 HZ2 LYS 29 2HZ LYS 29 -10.980 -13.626 0.171 209 HZ3 LYS 29 3HZ LYS 29 -9.327 -13.367 0.425 210 H LYS 30 H LYS 30 -7.622 -9.173 -2.341 211 HA LYS 30 HA LYS 30 -6.879 -7.101 -3.881 212 HB2 LYS 30 1HB LYS 30 -7.143 -9.353 -4.767 213 HB3 LYS 30 2HB LYS 30 -8.893 -9.222 -4.645 214 HG2 LYS 30 1HG LYS 30 -8.917 -7.492 -6.334 215 HG3 LYS 30 2HG LYS 30 -7.154 -7.513 -6.412 216 HD2 LYS 30 1HD LYS 30 -7.215 -9.833 -7.187 217 HD3 LYS 30 2HD LYS 30 -8.978 -9.818 -7.100 218 HE2 LYS 30 1HE LYS 30 -8.915 -7.882 -8.720 219 HE3 LYS 30 2HE LYS 30 -7.199 -8.225 -8.934 220 HZ1 LYS 30 1HZ LYS 30 -9.504 -9.947 -9.627 221 HZ2 LYS 30 2HZ LYS 30 -7.930 -10.557 -9.515 222 HZ3 LYS 30 3HZ LYS 30 -8.293 -9.356 -10.651 223 H GLY 31 H GLY 31 -7.658 -5.194 -4.527 224 HA2 GLY 31 1HA GLY 31 -9.362 -3.757 -5.352 225 HA3 GLY 31 2HA GLY 31 -10.561 -4.773 -4.566 226 H ALA 32 H ALA 32 -9.242 -4.880 -2.015 227 HA ALA 32 HA ALA 32 -10.425 -2.812 -0.665 228 HB1 ALA 32 1HB ALA 32 -8.591 -3.274 1.105 229 HB2 ALA 32 2HB ALA 32 -9.718 -4.561 0.676 230 HB3 ALA 32 3HB ALA 32 -8.089 -4.555 0.002 231 H SER 33 H SER 33 -9.795 -0.813 0.127 232 HA SER 33 HA SER 33 -7.847 0.579 -1.487 233 HB2 SER 33 1HB SER 33 -9.964 1.679 -0.971 234 HB3 SER 33 2HB SER 33 -9.632 1.554 0.756 235 HG SER 33 HG SER 33 -8.894 3.472 -0.923 236 H LEU 34 H LEU 34 -5.820 1.062 -0.940 237 HA LEU 34 HA LEU 34 -5.023 0.760 1.880 238 HB2 LEU 34 1HB LEU 34 -3.294 0.084 -0.489 239 HB3 LEU 34 2HB LEU 34 -2.944 -0.210 1.213 240 HG LEU 34 HG LEU 34 -5.317 -1.527 -0.031 241 HD11 LEU 34 1HD1 LEU 34 -3.651 -3.465 -0.465 242 HD12 LEU 34 2HD1 LEU 34 -2.447 -2.180 -0.549 243 HD13 LEU 34 3HD1 LEU 34 -3.815 -2.179 -1.661 244 HD21 LEU 34 1HD2 LEU 34 -4.277 -3.349 1.559 245 HD22 LEU 34 2HD2 LEU 34 -5.259 -2.032 2.200 246 HD23 LEU 34 3HD2 LEU 34 -3.499 -1.944 2.289 247 H LEU 35 H LEU 35 -3.847 2.376 2.739 248 HA LEU 35 HA LEU 35 -3.259 4.665 1.015 249 HB2 LEU 35 1HB LEU 35 -4.581 4.721 3.258 250 HB3 LEU 35 2HB LEU 35 -2.979 4.678 3.991 251 HG LEU 35 HG LEU 35 -2.427 6.750 2.690 252 HD11 LEU 35 1HD1 LEU 35 -5.394 6.755 2.154 253 HD12 LEU 35 2HD1 LEU 35 -4.128 6.510 0.951 254 HD13 LEU 35 3HD1 LEU 35 -4.266 8.059 1.783 255 HD21 LEU 35 1HD2 LEU 35 -4.793 7.426 4.338 256 HD22 LEU 35 2HD2 LEU 35 -3.150 8.067 4.391 257 HD23 LEU 35 3HD2 LEU 35 -3.508 6.498 5.113 258 H LEU 36 H LEU 36 -1.239 5.542 0.792 259 HA LEU 36 HA LEU 36 0.982 4.016 1.986 260 HB2 LEU 36 1HB LEU 36 0.921 5.401 -0.690 261 HB3 LEU 36 2HB LEU 36 2.287 4.517 -0.011 262 HG LEU 36 HG LEU 36 -0.345 3.371 -0.936 263 HD11 LEU 36 1HD1 LEU 36 2.427 3.458 -2.022 264 HD12 LEU 36 2HD1 LEU 36 0.882 3.635 -2.853 265 HD13 LEU 36 3HD1 LEU 36 1.426 2.040 -2.335 266 HD21 LEU 36 1HD2 LEU 36 0.982 1.186 -0.446 267 HD22 LEU 36 2HD2 LEU 36 0.131 2.007 0.862 268 HD23 LEU 36 3HD2 LEU 36 1.875 2.202 0.686 269 H TYR 37 H TYR 37 2.649 5.129 2.898 270 HA TYR 37 HA TYR 37 2.344 8.056 3.021 271 HB2 TYR 37 1HB TYR 37 3.570 6.176 5.049 272 HB3 TYR 37 2HB TYR 37 3.496 7.928 5.205 273 HD1 TYR 37 1HD TYR 37 0.777 8.541 4.334 274 HD2 TYR 37 2HD TYR 37 2.202 5.316 6.715 275 HE1 TYR 37 1HE TYR 37 -1.434 8.355 5.395 276 HE2 TYR 37 2HE TYR 37 -0.006 5.120 7.782 277 HH TYR 37 HH TYR 37 -2.380 7.487 7.539 278 H GLN 38 H GLN 38 4.770 5.456 3.043 279 HA GLN 38 HA GLN 38 6.517 7.079 1.391 280 HB2 GLN 38 1HB GLN 38 7.107 6.377 4.231 281 HB3 GLN 38 2HB GLN 38 8.431 6.370 3.074 282 HG2 GLN 38 1HG GLN 38 8.162 8.663 2.601 283 HG3 GLN 38 2HG GLN 38 6.600 8.722 3.416 284 HE21 GLN 38 1HE2 GLN 38 6.976 10.173 4.977 285 HE22 GLN 38 2HE2 GLN 38 8.186 10.015 6.200 286 H ARG 39 H ARG 39 8.092 5.881 0.283 287 HA ARG 39 HA ARG 39 7.426 3.088 -0.030 288 HB2 ARG 39 1HB ARG 39 7.850 4.426 -2.015 289 HB3 ARG 39 2HB ARG 39 9.458 4.832 -1.431 290 HG2 ARG 39 1HG ARG 39 10.005 3.168 -2.868 291 HG3 ARG 39 2HG ARG 39 9.717 2.198 -1.422 292 HD2 ARG 39 1HD ARG 39 7.647 1.459 -2.181 293 HD3 ARG 39 2HD ARG 39 7.488 2.784 -3.332 294 HE ARG 39 HE ARG 39 8.897 0.289 -3.725 295 HH11 ARG 39 2HH1 ARG 39 8.401 3.558 -4.814 296 HH12 ARG 39 1HH1 ARG 39 8.984 3.251 -6.417 297 HH21 ARG 39 2HH2 ARG 39 9.667 -0.128 -5.832 298 HH22 ARG 39 1HH2 ARG 39 9.703 1.154 -6.995 299 H ALA 40 H ALA 40 8.146 1.894 1.665 300 HA ALA 40 HA ALA 40 10.515 2.259 3.091 301 HB1 ALA 40 1HB ALA 40 9.497 0.715 4.315 302 HB2 ALA 40 2HB ALA 40 8.409 0.319 2.984 303 HB3 ALA 40 3HB ALA 40 9.968 -0.495 3.121 304 H SER 41 H SER 41 9.851 0.271 0.236 305 HA SER 41 HA SER 41 12.598 0.393 -0.576 306 HB2 SER 41 1HB SER 41 12.267 -1.560 1.189 307 HB3 SER 41 2HB SER 41 11.649 -2.417 -0.223 308 HG SER 41 HG SER 41 13.678 -1.727 -1.260 309 H ASP 42 H ASP 42 12.952 -0.685 -2.667 310 HA ASP 42 HA ASP 42 11.085 -0.034 -4.570 311 HB2 ASP 42 1HB ASP 42 12.978 -2.363 -4.884 312 HB3 ASP 42 2HB ASP 42 12.374 -1.283 -6.137 313 H ASP 43 H ASP 43 11.369 -3.011 -2.735 314 HA ASP 43 HA ASP 43 8.958 -4.032 -4.085 315 HB2 ASP 43 1HB ASP 43 11.360 -5.380 -2.937 316 HB3 ASP 43 2HB ASP 43 9.817 -6.227 -2.858 317 H TRP 44 H TRP 44 8.963 -2.081 -1.942 318 HA TRP 44 HA TRP 44 7.053 -3.352 -0.225 319 HB2 TRP 44 1HB TRP 44 9.729 -2.505 0.887 320 HB3 TRP 44 2HB TRP 44 8.295 -2.706 1.891 321 HD1 TRP 44 HD TRP 44 11.224 -4.569 0.812 322 HE1 TRP 44 1HE TRP 44 10.902 -7.102 1.139 323 HE3 TRP 44 3HE TRP 44 6.164 -4.658 1.533 324 HZ2 TRP 44 2HZ TRP 44 8.783 -8.899 1.636 325 HZ3 TRP 44 3HZ TRP 44 5.066 -6.825 1.927 326 HH2 TRP 44 HH TRP 44 6.351 -8.900 1.976 327 H TRP 45 H TRP 45 6.171 -1.778 1.403 328 HA TRP 45 HA TRP 45 6.639 1.024 0.747 329 HB2 TRP 45 1HB TRP 45 4.090 -0.459 0.218 330 HB3 TRP 45 2HB TRP 45 4.022 1.238 0.686 331 HD1 TRP 45 HD TRP 45 5.321 -1.024 -2.141 332 HE1 TRP 45 1HE TRP 45 5.631 0.415 -4.252 333 HE3 TRP 45 3HE TRP 45 4.381 3.580 -0.129 334 HZ2 TRP 45 2HZ TRP 45 5.495 3.142 -4.970 335 HZ3 TRP 45 3HZ TRP 45 4.492 5.553 -1.595 336 HH2 TRP 45 HH TRP 45 5.038 5.336 -3.965 337 H GLU 46 H GLU 46 5.415 2.487 2.237 338 HA GLU 46 HA GLU 46 4.917 1.203 4.839 339 HB2 GLU 46 1HB GLU 46 6.429 3.773 4.338 340 HB3 GLU 46 2HB GLU 46 5.965 3.176 5.925 341 HG2 GLU 46 1HG GLU 46 7.271 1.030 5.080 342 HG3 GLU 46 2HG GLU 46 8.086 2.235 4.085 343 H GLY 47 H GLY 47 2.715 1.333 4.809 344 HA2 GLY 47 1HA GLY 47 1.605 4.054 4.917 345 HA3 GLY 47 2HA GLY 47 0.866 2.873 3.846 346 H ARG 48 H ARG 48 -1.112 2.856 4.881 347 HA ARG 48 HA ARG 48 -1.171 1.319 7.356 348 HB2 ARG 48 1HB ARG 48 -1.227 3.586 8.185 349 HB3 ARG 48 2HB ARG 48 -2.488 4.019 7.038 350 HG2 ARG 48 1HG ARG 48 -4.074 2.610 8.167 351 HG3 ARG 48 2HG ARG 48 -2.817 1.996 9.242 352 HD2 ARG 48 1HD ARG 48 -3.572 4.905 9.075 353 HD3 ARG 48 2HD ARG 48 -4.319 3.779 10.207 354 HE ARG 48 HE ARG 48 -1.442 3.840 10.326 355 HH11 ARG 48 2HH1 ARG 48 -4.406 5.239 11.502 356 HH12 ARG 48 1HH1 ARG 48 -3.698 5.829 12.969 357 HH21 ARG 48 2HH2 ARG 48 -0.499 4.613 12.254 358 HH22 ARG 48 1HH2 ARG 48 -1.475 5.473 13.396 359 H HIS 49 H HIS 49 -2.767 -0.148 7.362 360 HA HIS 49 HA HIS 49 -4.901 0.137 5.349 361 HB2 HIS 49 1HB HIS 49 -3.639 -1.641 4.523 362 HB3 HIS 49 2HB HIS 49 -3.256 -2.246 6.132 363 HD1 HIS 49 1HD HIS 49 -4.627 -4.156 6.933 364 HD2 HIS 49 2HD HIS 49 -6.455 -2.125 3.803 365 HE1 HIS 49 1HE HIS 49 -6.674 -5.501 6.363 366 HE2 HIS 49 2HE HIS 49 -7.717 -4.300 4.410 367 H ASN 50 H ASN 50 -6.961 -0.134 6.009 368 HA ASN 50 HA ASN 50 -8.655 -0.016 7.562 369 HB2 ASN 50 1HB ASN 50 -8.246 -2.492 6.920 370 HB3 ASN 50 2HB ASN 50 -7.573 -2.647 8.540 371 HD21 ASN 50 1HD2 ASN 50 -9.105 -3.918 9.428 372 HD22 ASN 50 2HD2 ASN 50 -10.754 -3.448 9.641 373 H GLY 51 H GLY 51 -6.364 1.363 8.485 374 HA2 GLY 51 1HA GLY 51 -5.802 2.444 10.449 375 HA3 GLY 51 2HA GLY 51 -6.960 1.426 11.293 376 H ILE 52 H ILE 52 -4.246 0.315 9.335 377 HA ILE 52 HA ILE 52 -2.824 -0.497 11.766 378 HB ILE 52 HB ILE 52 -3.420 -2.367 9.470 379 HG12 ILE 52 1HG1 ILE 52 -4.311 -2.516 12.357 380 HG13 ILE 52 2HG1 ILE 52 -5.324 -1.950 11.034 381 HG21 ILE 52 1HG2 ILE 52 -1.173 -2.373 10.963 382 HG22 ILE 52 2HG2 ILE 52 -2.221 -3.382 11.959 383 HG23 ILE 52 3HG2 ILE 52 -1.906 -3.825 10.282 384 HD11 ILE 52 1HD1 ILE 52 -5.873 -4.021 10.482 385 HD12 ILE 52 2HD1 ILE 52 -4.184 -4.528 10.439 386 HD13 ILE 52 3HD1 ILE 52 -5.073 -4.550 11.962 387 H ASP 53 H ASP 53 -0.858 0.337 11.630 388 HA ASP 53 HA ASP 53 0.301 1.041 9.080 389 HB2 ASP 53 1HB ASP 53 2.037 2.110 10.348 390 HB3 ASP 53 2HB ASP 53 0.503 2.473 11.133 391 H GLY 54 H GLY 54 1.727 -0.111 7.943 392 HA2 GLY 54 1HA GLY 54 3.632 -1.872 9.114 393 HA3 GLY 54 2HA GLY 54 2.287 -2.777 8.434 394 H LEU 55 H LEU 55 3.751 -3.738 6.941 395 HA LEU 55 HA LEU 55 4.868 -1.951 4.907 396 HB2 LEU 55 1HB LEU 55 5.377 -4.791 5.696 397 HB3 LEU 55 2HB LEU 55 5.854 -4.214 4.100 398 HG LEU 55 HG LEU 55 6.801 -3.013 6.700 399 HD11 LEU 55 1HD1 LEU 55 8.494 -4.468 6.785 400 HD12 LEU 55 2HD1 LEU 55 8.731 -4.439 5.038 401 HD13 LEU 55 3HD1 LEU 55 7.493 -5.480 5.742 402 HD21 LEU 55 1HD2 LEU 55 6.848 -1.441 4.865 403 HD22 LEU 55 2HD2 LEU 55 7.663 -2.619 3.836 404 HD23 LEU 55 3HD2 LEU 55 8.491 -1.956 5.246 405 H ILE 56 H ILE 56 4.576 -2.441 2.647 406 HA ILE 56 HA ILE 56 2.284 -4.133 1.986 407 HB ILE 56 HB ILE 56 2.498 -1.234 1.165 408 HG12 ILE 56 1HG1 ILE 56 0.167 -2.439 2.604 409 HG13 ILE 56 2HG1 ILE 56 1.606 -2.008 3.521 410 HG21 ILE 56 1HG2 ILE 56 1.006 -1.583 -0.464 411 HG22 ILE 56 2HG2 ILE 56 1.465 -3.279 -0.329 412 HG23 ILE 56 3HG2 ILE 56 0.044 -2.681 0.526 413 HD11 ILE 56 1HD1 ILE 56 1.401 0.294 2.521 414 HD12 ILE 56 2HD1 ILE 56 -0.186 -0.202 1.932 415 HD13 ILE 56 3HD1 ILE 56 0.142 -0.173 3.664 416 HA PRO 57 HA PRO 57 5.148 -5.209 -1.237 417 HB2 PRO 57 1HB PRO 57 3.505 -6.943 -2.526 418 HB3 PRO 57 2HB PRO 57 4.338 -7.348 -1.021 419 HG2 PRO 57 1HG PRO 57 1.510 -6.460 -1.441 420 HG3 PRO 57 2HG PRO 57 2.136 -7.738 -0.383 421 HD2 PRO 57 1HD PRO 57 1.456 -5.286 0.540 422 HD3 PRO 57 2HD PRO 57 2.766 -6.246 1.257 423 H HIS 58 H HIS 58 5.572 -4.311 -3.165 424 HA HIS 58 HA HIS 58 3.619 -2.571 -4.372 425 HB2 HIS 58 1HB HIS 58 5.987 -1.910 -4.216 426 HB3 HIS 58 2HB HIS 58 6.430 -3.259 -5.258 427 HD2 HIS 58 2HD HIS 58 5.346 -2.988 -7.964 428 HE1 HIS 58 1HE HIS 58 5.094 1.234 -7.632 429 HE2 HIS 58 2HE HIS 58 4.962 -0.742 -9.188 430 H GLN 59 H GLN 59 4.342 -5.821 -4.647 431 HA GLN 59 HA GLN 59 3.760 -6.052 -7.479 432 HB2 GLN 59 1HB GLN 59 4.462 -7.997 -5.304 433 HB3 GLN 59 2HB GLN 59 3.809 -8.571 -6.833 434 HG2 GLN 59 1HG GLN 59 6.211 -6.780 -6.688 435 HG3 GLN 59 2HG GLN 59 6.330 -8.536 -6.591 436 HE21 GLN 59 1HE2 GLN 59 6.992 -6.279 -8.620 437 HE22 GLN 59 2HE2 GLN 59 6.468 -6.954 -10.121 438 H TYR 60 H TYR 60 2.113 -6.328 -4.433 439 HA TYR 60 HA TYR 60 -0.287 -7.340 -5.800 440 HB2 TYR 60 1HB TYR 60 0.366 -7.292 -2.846 441 HB3 TYR 60 2HB TYR 60 -1.106 -7.946 -3.556 442 HD1 TYR 60 2HD TYR 60 2.582 -8.301 -4.106 443 HD2 TYR 60 1HD TYR 60 -1.182 -10.239 -3.679 444 HE1 TYR 60 2HE TYR 60 3.683 -10.485 -4.363 445 HE2 TYR 60 1HE TYR 60 -0.091 -12.429 -3.934 446 HH TYR 60 HH TYR 60 1.990 -13.342 -4.943 447 H ILE 61 H ILE 61 0.604 -4.590 -5.956 448 HA ILE 61 HA ILE 61 -1.866 -3.318 -5.212 449 HB ILE 61 HB ILE 61 -0.934 -1.559 -3.840 450 HG12 ILE 61 1HG1 ILE 61 1.517 -2.193 -2.960 451 HG13 ILE 61 2HG1 ILE 61 1.630 -2.873 -4.580 452 HG21 ILE 61 1HG2 ILE 61 -1.753 -3.592 -2.735 453 HG22 ILE 61 2HG2 ILE 61 -0.123 -4.263 -2.781 454 HG23 ILE 61 3HG2 ILE 61 -0.457 -2.823 -1.820 455 HD11 ILE 61 1HD1 ILE 61 2.465 -0.720 -4.803 456 HD12 ILE 61 2HD1 ILE 61 0.804 -0.586 -5.380 457 HD13 ILE 61 3HD1 ILE 61 1.223 -0.026 -3.761 458 H VAL 62 H VAL 62 -2.134 -1.242 -6.173 459 HA VAL 62 HA VAL 62 -0.148 -0.639 -8.268 460 HB VAL 62 HB VAL 62 -3.150 -0.335 -8.430 461 HG11 VAL 62 1HG1 VAL 62 -1.559 1.382 -9.591 462 HG12 VAL 62 2HG1 VAL 62 -1.302 0.066 -10.739 463 HG13 VAL 62 3HG1 VAL 62 -2.926 0.702 -10.473 464 HG21 VAL 62 1HG2 VAL 62 -2.007 -1.929 -10.503 465 HG22 VAL 62 2HG2 VAL 62 -1.475 -2.552 -8.941 466 HG23 VAL 62 3HG2 VAL 62 -3.197 -2.385 -9.284 467 H VAL 63 H VAL 63 0.936 1.027 -7.331 468 HA VAL 63 HA VAL 63 -0.143 3.025 -5.705 469 HB VAL 63 HB VAL 63 2.277 3.176 -7.508 470 HG11 VAL 63 1HG1 VAL 63 1.139 5.049 -5.498 471 HG12 VAL 63 2HG1 VAL 63 2.893 4.884 -5.591 472 HG13 VAL 63 3HG1 VAL 63 1.977 5.387 -7.012 473 HG21 VAL 63 1HG2 VAL 63 1.744 1.886 -4.948 474 HG22 VAL 63 2HG2 VAL 63 3.073 1.645 -6.082 475 HG23 VAL 63 3HG2 VAL 63 3.142 2.961 -4.910 476 H GLN 64 H GLN 64 -1.995 3.960 -6.486 477 HA GLN 64 HA GLN 64 -1.939 5.210 -9.125 478 HB2 GLN 64 1HB GLN 64 -4.233 5.050 -7.166 479 HB3 GLN 64 2HB GLN 64 -4.322 5.515 -8.859 480 HG2 GLN 64 1HG GLN 64 -3.352 3.148 -9.292 481 HG3 GLN 64 2HG GLN 64 -3.927 2.814 -7.659 482 HE21 GLN 64 1HE2 GLN 64 -5.161 1.243 -9.100 483 HE22 GLN 64 2HE2 GLN 64 -6.713 1.772 -9.645 484 H ASP 65 H ASP 65 -1.477 7.286 -9.379 485 HA ASP 65 HA ASP 65 -1.478 9.029 -7.019 486 HB2 ASP 65 1HB ASP 65 -0.056 10.528 -8.414 487 HB3 ASP 65 2HB ASP 65 0.648 8.934 -8.160 488 H THR 66 H THR 66 -3.248 10.208 -6.755 489 HA THR 66 HA THR 66 -5.067 10.766 -8.892 490 HB THR 66 HB THR 66 -6.321 12.077 -7.205 491 HG1 THR 66 1HG THR 66 -3.931 11.714 -5.799 492 HG21 THR 66 1HG2 THR 66 -5.553 9.573 -5.788 493 HG22 THR 66 2HG2 THR 66 -6.226 9.441 -7.413 494 HG23 THR 66 3HG2 THR 66 -7.153 10.228 -6.136 495 H SER 67 H SER 67 -2.604 12.579 -7.155 496 HA SER 67 HA SER 67 -1.978 14.802 -7.310 497 HB2 SER 67 1HB SER 67 -0.915 13.354 -9.225 498 HB3 SER 67 2HB SER 67 -1.940 14.335 -10.272 499 HG SER 67 HG SER 67 -0.444 15.690 -8.363 500 H GLY 68 H GLY 68 -4.747 14.721 -7.129 501 HA2 GLY 68 1HA GLY 68 -5.905 16.298 -9.254 502 HA3 GLY 68 2HA GLY 68 -6.700 15.801 -7.767 503 HA PRO 69 HA PRO 69 -5.513 20.379 -7.709 504 HB2 PRO 69 1HB PRO 69 -8.035 21.383 -7.749 505 HB3 PRO 69 2HB PRO 69 -7.104 21.064 -9.218 506 HG2 PRO 69 1HG PRO 69 -9.233 19.402 -7.927 507 HG3 PRO 69 2HG PRO 69 -8.989 19.771 -9.644 508 HD2 PRO 69 1HD PRO 69 -8.226 17.421 -8.536 509 HD3 PRO 69 2HD PRO 69 -7.347 18.171 -9.884 510 H SER 70 H SER 70 -6.743 22.045 -6.146 511 HA SER 70 HA SER 70 -7.264 20.587 -3.637 512 HB2 SER 70 1HB SER 70 -6.258 22.496 -2.446 513 HB3 SER 70 2HB SER 70 -5.115 21.773 -3.578 514 HG SER 70 HG SER 70 -5.318 23.486 -4.903 515 H SER 71 H SER 71 -9.218 20.861 -2.807 516 HA SER 71 HA SER 71 -10.550 23.392 -2.789 517 HB2 SER 71 1HB SER 71 -11.168 22.841 -5.040 518 HB3 SER 71 2HB SER 71 -11.599 21.194 -4.580 519 HG SER 71 HG SER 71 -12.901 23.376 -3.378 520 H GLY 72 H GLY 72 -11.980 23.508 -1.138 521 HA2 GLY 72 1HA GLY 72 -13.639 21.565 -0.126 522 HA3 GLY 72 2HA GLY 72 -12.105 21.311 0.692 Start of MODEL 20 1 H1 GLY 1 H GLY 1 4.595 33.345 0.128 2 HA2 GLY 1 1HA GLY 1 6.175 34.263 2.389 3 HA3 GLY 1 2HA GLY 1 4.842 33.119 2.442 4 H SER 2 H SER 2 5.877 31.567 3.648 5 HA SER 2 HA SER 2 8.498 30.630 3.094 6 HB2 SER 2 1HB SER 2 6.224 29.460 4.705 7 HB3 SER 2 2HB SER 2 7.817 28.711 4.602 8 HG SER 2 HG SER 2 7.001 30.939 5.994 9 H SER 3 H SER 3 9.166 29.325 1.534 10 HA SER 3 HA SER 3 7.239 28.008 -0.178 11 HB2 SER 3 1HB SER 3 10.247 28.278 -0.299 12 HB3 SER 3 2HB SER 3 9.314 27.355 -1.478 13 HG SER 3 HG SER 3 8.989 30.114 -0.886 14 H GLY 4 H GLY 4 6.640 25.948 -0.033 15 HA2 GLY 4 1HA GLY 4 8.439 23.890 0.862 16 HA3 GLY 4 2HA GLY 4 7.179 24.251 2.033 17 H SER 5 H SER 5 7.798 21.871 0.264 18 HA SER 5 HA SER 5 5.458 21.733 -1.449 19 HB2 SER 5 1HB SER 5 7.815 19.941 -0.944 20 HB3 SER 5 2HB SER 5 6.386 19.315 -1.767 21 HG SER 5 HG SER 5 7.048 20.286 -3.495 22 H SER 6 H SER 6 3.745 20.294 -1.194 23 HA SER 6 HA SER 6 3.197 19.579 1.575 24 HB2 SER 6 1HB SER 6 1.419 20.739 0.443 25 HB3 SER 6 2HB SER 6 1.464 19.602 -0.904 26 HG SER 6 HG SER 6 0.791 17.974 0.581 27 H GLY 7 H GLY 7 3.260 17.569 2.362 28 HA2 GLY 7 1HA GLY 7 3.876 15.394 0.486 29 HA3 GLY 7 2HA GLY 7 4.207 15.385 2.212 30 H GLU 8 H GLU 8 1.776 14.928 -0.253 31 HA GLU 8 HA GLU 8 -0.169 14.043 1.744 32 HB2 GLU 8 1HB GLU 8 -1.810 14.138 0.027 33 HB3 GLU 8 2HB GLU 8 -0.824 15.583 -0.145 34 HG2 GLU 8 1HG GLU 8 0.408 14.537 -1.969 35 HG3 GLU 8 2HG GLU 8 -0.562 13.077 -1.791 36 HA PRO 9 HA PRO 9 0.586 9.762 1.120 37 HB2 PRO 9 1HB PRO 9 -1.890 8.752 1.590 38 HB3 PRO 9 2HB PRO 9 -0.853 9.389 2.872 39 HG2 PRO 9 1HG PRO 9 -3.134 10.706 1.450 40 HG3 PRO 9 2HG PRO 9 -2.739 10.715 3.179 41 HD2 PRO 9 1HD PRO 9 -2.148 12.787 1.539 42 HD3 PRO 9 2HD PRO 9 -1.137 12.354 2.933 43 H ILE 10 H ILE 10 0.091 7.948 -0.246 44 HA ILE 10 HA ILE 10 -1.191 8.759 -2.767 45 HB ILE 10 HB ILE 10 0.824 6.556 -2.305 46 HG12 ILE 10 1HG1 ILE 10 1.218 9.189 -3.735 47 HG13 ILE 10 2HG1 ILE 10 1.667 8.926 -2.053 48 HG21 ILE 10 1HG2 ILE 10 0.891 6.308 -4.686 49 HG22 ILE 10 2HG2 ILE 10 -0.788 6.183 -4.164 50 HG23 ILE 10 3HG2 ILE 10 -0.204 7.672 -4.907 51 HD11 ILE 10 1HD1 ILE 10 2.837 6.824 -3.452 52 HD12 ILE 10 2HD1 ILE 10 3.088 8.253 -4.455 53 HD13 ILE 10 3HD1 ILE 10 3.639 8.243 -2.779 54 H GLU 11 H GLU 11 -3.136 7.942 -3.128 55 HA GLU 11 HA GLU 11 -4.158 5.735 -1.606 56 HB2 GLU 11 1HB GLU 11 -5.242 7.598 -3.667 57 HB3 GLU 11 2HB GLU 11 -6.091 6.083 -3.391 58 HG2 GLU 11 1HG GLU 11 -6.550 6.628 -1.149 59 HG3 GLU 11 2HG GLU 11 -5.397 7.961 -1.157 60 H ALA 12 H ALA 12 -3.615 3.709 -2.052 61 HA ALA 12 HA ALA 12 -3.297 2.924 -4.875 62 HB1 ALA 12 1HB ALA 12 -1.449 1.788 -4.358 63 HB2 ALA 12 2HB ALA 12 -1.470 2.673 -2.833 64 HB3 ALA 12 3HB ALA 12 -2.191 1.067 -2.929 65 H ILE 13 H ILE 13 -3.868 0.640 -5.348 66 HA ILE 13 HA ILE 13 -6.110 -0.293 -3.679 67 HB ILE 13 HB ILE 13 -5.991 -0.367 -6.697 68 HG12 ILE 13 1HG1 ILE 13 -6.399 1.895 -5.803 69 HG13 ILE 13 2HG1 ILE 13 -7.818 1.255 -6.623 70 HG21 ILE 13 1HG2 ILE 13 -7.166 -2.283 -5.915 71 HG22 ILE 13 2HG2 ILE 13 -8.056 -1.329 -4.729 72 HG23 ILE 13 3HG2 ILE 13 -8.374 -1.115 -6.451 73 HD11 ILE 13 1HD1 ILE 13 -8.808 0.694 -4.465 74 HD12 ILE 13 2HD1 ILE 13 -7.387 1.345 -3.648 75 HD13 ILE 13 3HD1 ILE 13 -8.431 2.413 -4.586 76 H ALA 14 H ALA 14 -6.064 -2.381 -3.117 77 HA ALA 14 HA ALA 14 -3.833 -3.980 -3.384 78 HB1 ALA 14 1HB ALA 14 -5.177 -5.806 -2.563 79 HB2 ALA 14 2HB ALA 14 -5.635 -4.321 -1.728 80 HB3 ALA 14 3HB ALA 14 -6.659 -4.962 -3.013 81 H LYS 15 H LYS 15 -2.977 -5.098 -5.003 82 HA LYS 15 HA LYS 15 -4.375 -5.318 -7.517 83 HB2 LYS 15 1HB LYS 15 -1.803 -4.913 -6.996 84 HB3 LYS 15 2HB LYS 15 -1.759 -6.670 -7.044 85 HG2 LYS 15 1HG LYS 15 -2.344 -6.752 -9.286 86 HG3 LYS 15 2HG LYS 15 -3.014 -5.119 -9.271 87 HD2 LYS 15 1HD LYS 15 -1.030 -4.715 -10.333 88 HD3 LYS 15 2HD LYS 15 -0.522 -4.484 -8.658 89 HE2 LYS 15 1HE LYS 15 0.031 -7.011 -8.733 90 HE3 LYS 15 2HE LYS 15 -0.030 -6.809 -10.483 91 HZ1 LYS 15 1HZ LYS 15 1.920 -5.806 -8.563 92 HZ2 LYS 15 2HZ LYS 15 1.544 -4.789 -9.861 93 HZ3 LYS 15 3HZ LYS 15 2.143 -6.344 -10.152 94 H PHE 16 H PHE 16 -3.407 -7.445 -4.900 95 HA PHE 16 HA PHE 16 -5.276 -9.447 -5.780 96 HB2 PHE 16 1HB PHE 16 -2.353 -10.207 -5.620 97 HB3 PHE 16 2HB PHE 16 -3.699 -11.265 -6.032 98 HD1 PHE 16 2HD PHE 16 -5.080 -10.584 -8.125 99 HD2 PHE 16 1HD PHE 16 -1.142 -9.195 -7.299 100 HE1 PHE 16 2HE PHE 16 -4.775 -10.045 -10.506 101 HE2 PHE 16 1HE PHE 16 -0.831 -8.653 -9.679 102 HZ PHE 16 HZ PHE 16 -2.649 -9.079 -11.286 103 H ASP 17 H ASP 17 -5.849 -10.882 -4.155 104 HA ASP 17 HA ASP 17 -5.858 -10.087 -1.566 105 HB2 ASP 17 1HB ASP 17 -6.499 -12.301 -0.940 106 HB3 ASP 17 2HB ASP 17 -7.120 -12.031 -2.566 107 H TYR 18 H TYR 18 -4.307 -9.648 -0.159 108 HA TYR 18 HA TYR 18 -1.894 -11.338 -0.147 109 HB2 TYR 18 1HB TYR 18 -1.358 -9.154 -1.116 110 HB3 TYR 18 2HB TYR 18 -2.028 -8.347 0.297 111 HD1 TYR 18 1HD TYR 18 0.754 -10.429 -0.934 112 HD2 TYR 18 2HD TYR 18 -0.771 -8.157 2.325 113 HE1 TYR 18 1HE TYR 18 2.959 -10.518 0.153 114 HE2 TYR 18 2HE TYR 18 1.429 -8.239 3.420 115 HH TYR 18 HH TYR 18 3.727 -10.324 2.775 116 H VAL 19 H VAL 19 -1.049 -11.885 1.836 117 HA VAL 19 HA VAL 19 -2.547 -10.979 4.206 118 HB VAL 19 HB VAL 19 -3.292 -13.226 3.701 119 HG11 VAL 19 1HG1 VAL 19 -0.618 -14.430 4.123 120 HG12 VAL 19 2HG1 VAL 19 -1.966 -14.977 3.123 121 HG13 VAL 19 3HG1 VAL 19 -0.923 -13.670 2.561 122 HG21 VAL 19 1HG2 VAL 19 -1.688 -12.641 6.098 123 HG22 VAL 19 2HG2 VAL 19 -3.360 -13.181 5.954 124 HG23 VAL 19 3HG2 VAL 19 -2.043 -14.346 5.822 125 H GLY 20 H GLY 20 -1.201 -9.838 5.434 126 HA2 GLY 20 1HA GLY 20 1.545 -9.706 5.269 127 HA3 GLY 20 2HA GLY 20 0.631 -9.310 6.717 128 H ARG 21 H ARG 21 2.711 -11.573 5.190 129 HA ARG 21 HA ARG 21 2.348 -13.891 6.631 130 HB2 ARG 21 1HB ARG 21 4.690 -12.594 5.337 131 HB3 ARG 21 2HB ARG 21 5.014 -13.928 6.436 132 HG2 ARG 21 1HG ARG 21 3.001 -14.197 4.237 133 HG3 ARG 21 2HG ARG 21 4.724 -14.435 3.939 134 HD2 ARG 21 1HD ARG 21 3.075 -15.916 5.984 135 HD3 ARG 21 2HD ARG 21 3.560 -16.547 4.411 136 HE ARG 21 HE ARG 21 5.735 -16.797 5.197 137 HH11 ARG 21 2HH1 ARG 21 3.700 -15.273 7.576 138 HH12 ARG 21 1HH1 ARG 21 4.823 -15.503 8.875 139 HH21 ARG 21 2HH2 ARG 21 7.223 -17.104 6.899 140 HH22 ARG 21 1HH2 ARG 21 6.827 -16.543 8.488 141 H THR 22 H THR 22 4.050 -10.954 7.590 142 HA THR 22 HA THR 22 4.248 -12.049 10.320 143 HB THR 22 HB THR 22 6.240 -10.655 10.675 144 HG1 THR 22 1HG THR 22 5.662 -9.106 8.975 145 HG21 THR 22 1HG2 THR 22 6.273 -12.623 8.404 146 HG22 THR 22 2HG2 THR 22 6.782 -12.858 10.076 147 HG23 THR 22 3HG2 THR 22 7.752 -11.864 8.990 148 H ALA 23 H ALA 23 4.653 -10.087 11.907 149 HA ALA 23 HA ALA 23 2.281 -8.634 12.055 150 HB1 ALA 23 1HB ALA 23 3.923 -9.144 13.917 151 HB2 ALA 23 2HB ALA 23 4.852 -7.759 13.343 152 HB3 ALA 23 3HB ALA 23 3.203 -7.534 13.925 153 H ARG 24 H ARG 24 5.496 -7.600 10.948 154 HA ARG 24 HA ARG 24 4.968 -4.925 10.476 155 HB2 ARG 24 1HB ARG 24 6.879 -6.908 9.352 156 HB3 ARG 24 2HB ARG 24 6.684 -5.392 8.484 157 HG2 ARG 24 1HG ARG 24 8.383 -4.807 9.867 158 HG3 ARG 24 2HG ARG 24 7.021 -4.382 10.905 159 HD2 ARG 24 1HD ARG 24 7.202 -6.719 11.864 160 HD3 ARG 24 2HD ARG 24 8.739 -6.849 11.009 161 HE ARG 24 HE ARG 24 8.912 -4.527 12.459 162 HH11 ARG 24 2HH1 ARG 24 8.345 -7.886 13.173 163 HH12 ARG 24 1HH1 ARG 24 9.064 -7.808 14.747 164 HH21 ARG 24 2HH2 ARG 24 9.861 -4.411 14.530 165 HH22 ARG 24 1HH2 ARG 24 9.925 -5.830 15.519 166 H GLU 25 H GLU 25 4.664 -7.632 8.177 167 HA GLU 25 HA GLU 25 3.595 -6.075 6.077 168 HB2 GLU 25 1HB GLU 25 3.281 -9.039 6.588 169 HB3 GLU 25 2HB GLU 25 2.967 -8.221 5.064 170 HG2 GLU 25 1HG GLU 25 5.254 -7.732 4.743 171 HG3 GLU 25 2HG GLU 25 5.656 -8.185 6.398 172 H LEU 26 H LEU 26 1.476 -5.842 5.340 173 HA LEU 26 HA LEU 26 -0.571 -6.235 7.414 174 HB2 LEU 26 1HB LEU 26 -0.573 -4.345 5.065 175 HB3 LEU 26 2HB LEU 26 -1.817 -4.454 6.309 176 HG LEU 26 HG LEU 26 1.037 -3.665 6.874 177 HD11 LEU 26 1HD1 LEU 26 -1.343 -1.854 6.502 178 HD12 LEU 26 2HD1 LEU 26 -0.056 -2.081 5.318 179 HD13 LEU 26 3HD1 LEU 26 0.309 -1.374 6.892 180 HD21 LEU 26 1HD2 LEU 26 -1.009 -4.468 8.558 181 HD22 LEU 26 2HD2 LEU 26 -1.055 -2.706 8.638 182 HD23 LEU 26 3HD2 LEU 26 0.437 -3.568 9.017 183 H SER 27 H SER 27 -2.460 -7.285 6.972 184 HA SER 27 HA SER 27 -2.508 -8.831 4.491 185 HB2 SER 27 1HB SER 27 -4.264 -10.171 5.654 186 HB3 SER 27 2HB SER 27 -2.732 -10.127 6.528 187 HG SER 27 HG SER 27 -4.689 -8.208 7.114 188 H PHE 28 H PHE 28 -3.772 -8.267 2.859 189 HA PHE 28 HA PHE 28 -6.314 -6.923 3.397 190 HB2 PHE 28 1HB PHE 28 -5.829 -5.360 1.461 191 HB3 PHE 28 2HB PHE 28 -4.912 -5.057 2.933 192 HD1 PHE 28 1HD PHE 28 -4.735 -6.478 -0.465 193 HD2 PHE 28 2HD PHE 28 -2.554 -5.205 2.961 194 HE1 PHE 28 1HE PHE 28 -2.642 -6.618 -1.751 195 HE2 PHE 28 2HE PHE 28 -0.457 -5.341 1.681 196 HZ PHE 28 HZ PHE 28 -0.499 -6.048 -0.678 197 H LYS 29 H LYS 29 -7.578 -6.707 1.252 198 HA LYS 29 HA LYS 29 -7.193 -9.180 -0.305 199 HB2 LYS 29 1HB LYS 29 -9.774 -7.817 0.481 200 HB3 LYS 29 2HB LYS 29 -9.664 -9.194 -0.607 201 HG2 LYS 29 1HG LYS 29 -8.547 -9.337 2.165 202 HG3 LYS 29 2HG LYS 29 -10.264 -9.604 1.858 203 HD2 LYS 29 1HD LYS 29 -9.664 -11.375 0.242 204 HD3 LYS 29 2HD LYS 29 -7.962 -11.136 0.647 205 HE2 LYS 29 1HE LYS 29 -8.553 -11.656 3.026 206 HE3 LYS 29 2HE LYS 29 -10.166 -12.093 2.466 207 HZ1 LYS 29 1HZ LYS 29 -7.823 -13.651 2.457 208 HZ2 LYS 29 2HZ LYS 29 -8.344 -13.446 0.861 209 HZ3 LYS 29 3HZ LYS 29 -9.393 -14.102 2.015 210 H LYS 30 H LYS 30 -8.096 -9.112 -2.512 211 HA LYS 30 HA LYS 30 -7.089 -6.956 -3.981 212 HB2 LYS 30 1HB LYS 30 -7.362 -9.149 -4.978 213 HB3 LYS 30 2HB LYS 30 -9.106 -9.067 -4.765 214 HG2 LYS 30 1HG LYS 30 -9.251 -7.258 -6.364 215 HG3 LYS 30 2HG LYS 30 -7.493 -7.235 -6.529 216 HD2 LYS 30 1HD LYS 30 -7.446 -9.188 -7.739 217 HD3 LYS 30 2HD LYS 30 -8.949 -9.787 -7.033 218 HE2 LYS 30 1HE LYS 30 -10.210 -8.138 -8.327 219 HE3 LYS 30 2HE LYS 30 -8.709 -7.535 -9.027 220 HZ1 LYS 30 1HZ LYS 30 -9.770 -10.291 -9.350 221 HZ2 LYS 30 2HZ LYS 30 -8.349 -9.689 -10.043 222 HZ3 LYS 30 3HZ LYS 30 -9.849 -9.067 -10.516 223 H GLY 31 H GLY 31 -7.890 -5.024 -4.518 224 HA2 GLY 31 1HA GLY 31 -9.619 -3.556 -5.227 225 HA3 GLY 31 2HA GLY 31 -10.793 -4.610 -4.454 226 H ALA 32 H ALA 32 -9.239 -4.796 -1.974 227 HA ALA 32 HA ALA 32 -10.438 -2.803 -0.483 228 HB1 ALA 32 1HB ALA 32 -9.487 -3.808 1.282 229 HB2 ALA 32 2HB ALA 32 -8.957 -5.005 0.101 230 HB3 ALA 32 3HB ALA 32 -7.866 -3.710 0.593 231 H SER 33 H SER 33 -10.042 -0.716 -0.107 232 HA SER 33 HA SER 33 -7.982 0.639 -1.543 233 HB2 SER 33 1HB SER 33 -10.045 1.804 -1.234 234 HB3 SER 33 2HB SER 33 -9.993 1.566 0.512 235 HG SER 33 HG SER 33 -8.178 2.941 0.576 236 H LEU 34 H LEU 34 -5.991 1.178 -0.918 237 HA LEU 34 HA LEU 34 -5.332 1.076 1.946 238 HB2 LEU 34 1HB LEU 34 -3.506 0.084 -0.228 239 HB3 LEU 34 2HB LEU 34 -3.282 -0.056 1.514 240 HG LEU 34 HG LEU 34 -5.646 -1.380 0.276 241 HD11 LEU 34 1HD1 LEU 34 -3.748 -1.954 -1.192 242 HD12 LEU 34 2HD1 LEU 34 -4.363 -3.340 -0.293 243 HD13 LEU 34 3HD1 LEU 34 -2.870 -2.552 0.216 244 HD21 LEU 34 1HD2 LEU 34 -5.089 -1.253 2.766 245 HD22 LEU 34 2HD2 LEU 34 -3.788 -2.389 2.408 246 HD23 LEU 34 3HD2 LEU 34 -5.464 -2.841 2.097 247 H LEU 35 H LEU 35 -4.083 2.705 2.685 248 HA LEU 35 HA LEU 35 -3.327 4.774 0.755 249 HB2 LEU 35 1HB LEU 35 -4.718 5.066 2.984 250 HB3 LEU 35 2HB LEU 35 -3.110 5.170 3.696 251 HG LEU 35 HG LEU 35 -2.780 6.979 1.788 252 HD11 LEU 35 1HD1 LEU 35 -4.850 8.287 1.501 253 HD12 LEU 35 2HD1 LEU 35 -5.752 6.996 2.293 254 HD13 LEU 35 3HD1 LEU 35 -4.943 6.691 0.756 255 HD21 LEU 35 1HD2 LEU 35 -3.261 6.998 4.536 256 HD22 LEU 35 2HD2 LEU 35 -4.332 8.230 3.869 257 HD23 LEU 35 3HD2 LEU 35 -2.597 8.307 3.559 258 H LEU 36 H LEU 36 -1.259 5.605 0.614 259 HA LEU 36 HA LEU 36 0.831 4.065 2.010 260 HB2 LEU 36 1HB LEU 36 1.006 5.321 -0.724 261 HB3 LEU 36 2HB LEU 36 2.253 4.362 0.071 262 HG LEU 36 HG LEU 36 -0.404 3.383 -0.966 263 HD11 LEU 36 1HD1 LEU 36 0.911 3.455 -2.829 264 HD12 LEU 36 2HD1 LEU 36 1.368 1.871 -2.202 265 HD13 LEU 36 3HD1 LEU 36 2.409 3.266 -1.918 266 HD21 LEU 36 1HD2 LEU 36 -0.105 2.072 0.920 267 HD22 LEU 36 2HD2 LEU 36 1.653 2.098 0.787 268 HD23 LEU 36 3HD2 LEU 36 0.698 1.125 -0.333 269 H TYR 37 H TYR 37 2.490 5.162 2.954 270 HA TYR 37 HA TYR 37 2.282 8.099 2.931 271 HB2 TYR 37 1HB TYR 37 3.407 6.273 5.065 272 HB3 TYR 37 2HB TYR 37 3.365 8.031 5.150 273 HD1 TYR 37 1HD TYR 37 0.702 8.705 4.224 274 HD2 TYR 37 2HD TYR 37 1.957 5.466 6.680 275 HE1 TYR 37 1HE TYR 37 -1.540 8.606 5.228 276 HE2 TYR 37 2HE TYR 37 -0.282 5.357 7.691 277 HH TYR 37 HH TYR 37 -2.228 6.615 7.994 278 H GLN 38 H GLN 38 4.637 5.442 3.134 279 HA GLN 38 HA GLN 38 6.506 7.048 1.564 280 HB2 GLN 38 1HB GLN 38 6.862 7.105 4.192 281 HB3 GLN 38 2HB GLN 38 7.634 5.555 3.886 282 HG2 GLN 38 1HG GLN 38 8.423 7.854 2.188 283 HG3 GLN 38 2HG GLN 38 8.977 7.828 3.861 284 HE21 GLN 38 1HE2 GLN 38 10.369 7.508 1.233 285 HE22 GLN 38 2HE2 GLN 38 11.267 6.040 1.389 286 H ARG 39 H ARG 39 8.449 5.680 0.912 287 HA ARG 39 HA ARG 39 7.462 3.016 0.164 288 HB2 ARG 39 1HB ARG 39 8.041 4.535 -1.687 289 HB3 ARG 39 2HB ARG 39 9.678 4.669 -1.060 290 HG2 ARG 39 1HG ARG 39 10.024 3.084 -2.643 291 HG3 ARG 39 2HG ARG 39 9.589 2.034 -1.293 292 HD2 ARG 39 1HD ARG 39 7.450 1.648 -2.123 293 HD3 ARG 39 2HD ARG 39 7.488 3.079 -3.152 294 HE ARG 39 HE ARG 39 8.508 0.459 -3.777 295 HH11 ARG 39 2HH1 ARG 39 8.660 3.860 -4.506 296 HH12 ARG 39 1HH1 ARG 39 9.269 3.622 -6.110 297 HH21 ARG 39 2HH2 ARG 39 9.310 0.133 -5.888 298 HH22 ARG 39 1HH2 ARG 39 9.638 1.501 -6.895 299 H ALA 40 H ALA 40 8.061 1.724 1.849 300 HA ALA 40 HA ALA 40 10.353 1.847 3.383 301 HB1 ALA 40 1HB ALA 40 9.987 -0.661 3.687 302 HB2 ALA 40 2HB ALA 40 8.658 0.412 4.128 303 HB3 ALA 40 3HB ALA 40 8.611 -0.468 2.600 304 H SER 41 H SER 41 9.835 0.067 0.354 305 HA SER 41 HA SER 41 12.611 0.286 -0.336 306 HB2 SER 41 1HB SER 41 11.501 -2.290 0.699 307 HB3 SER 41 2HB SER 41 12.672 -2.345 -0.618 308 HG SER 41 HG SER 41 13.734 -0.702 1.038 309 H ASP 42 H ASP 42 12.980 -1.278 -2.362 310 HA ASP 42 HA ASP 42 11.241 -0.333 -4.373 311 HB2 ASP 42 1HB ASP 42 13.725 -1.153 -4.502 312 HB3 ASP 42 2HB ASP 42 12.993 -2.727 -4.797 313 H ASP 43 H ASP 43 11.063 -3.031 -2.287 314 HA ASP 43 HA ASP 43 8.810 -4.093 -3.856 315 HB2 ASP 43 1HB ASP 43 11.099 -5.539 -2.593 316 HB3 ASP 43 2HB ASP 43 9.523 -6.325 -2.629 317 H TRP 44 H TRP 44 8.938 -2.166 -1.621 318 HA TRP 44 HA TRP 44 6.885 -3.383 0.006 319 HB2 TRP 44 1HB TRP 44 9.550 -2.576 1.168 320 HB3 TRP 44 2HB TRP 44 8.090 -2.700 2.146 321 HD1 TRP 44 HD TRP 44 10.949 -4.714 1.026 322 HE1 TRP 44 1HE TRP 44 10.543 -7.215 1.478 323 HE3 TRP 44 3HE TRP 44 5.935 -4.556 2.015 324 HZ2 TRP 44 2HZ TRP 44 8.383 -8.899 2.161 325 HZ3 TRP 44 3HZ TRP 44 4.774 -6.656 2.558 326 HH2 TRP 44 HH TRP 44 5.974 -8.782 2.629 327 H TRP 45 H TRP 45 5.980 -1.778 1.591 328 HA TRP 45 HA TRP 45 6.493 1.010 0.899 329 HB2 TRP 45 1HB TRP 45 3.931 -0.454 0.373 330 HB3 TRP 45 2HB TRP 45 3.885 1.256 0.793 331 HD1 TRP 45 HD TRP 45 5.128 -1.109 -1.967 332 HE1 TRP 45 1HE TRP 45 5.507 0.269 -4.108 333 HE3 TRP 45 3HE TRP 45 4.364 3.575 -0.065 334 HZ2 TRP 45 2HZ TRP 45 5.485 2.982 -4.888 335 HZ3 TRP 45 3HZ TRP 45 4.562 5.508 -1.575 336 HH2 TRP 45 HH TRP 45 5.112 5.215 -3.936 337 H GLU 46 H GLU 46 5.148 2.495 2.323 338 HA GLU 46 HA GLU 46 4.651 1.268 4.951 339 HB2 GLU 46 1HB GLU 46 6.152 3.842 4.435 340 HB3 GLU 46 2HB GLU 46 5.688 3.243 6.022 341 HG2 GLU 46 1HG GLU 46 7.022 1.111 5.193 342 HG3 GLU 46 2HG GLU 46 7.824 2.318 4.191 343 H GLY 47 H GLY 47 2.445 1.389 4.849 344 HA2 GLY 47 1HA GLY 47 1.332 4.111 4.902 345 HA3 GLY 47 2HA GLY 47 0.616 2.912 3.835 346 H ARG 48 H ARG 48 -1.382 2.890 4.823 347 HA ARG 48 HA ARG 48 -1.470 1.449 7.363 348 HB2 ARG 48 1HB ARG 48 -1.665 3.764 8.042 349 HB3 ARG 48 2HB ARG 48 -2.914 4.050 6.837 350 HG2 ARG 48 1HG ARG 48 -4.343 2.392 8.039 351 HG3 ARG 48 2HG ARG 48 -3.116 2.346 9.306 352 HD2 ARG 48 1HD ARG 48 -4.184 4.988 8.440 353 HD3 ARG 48 2HD ARG 48 -5.191 3.963 9.463 354 HE ARG 48 HE ARG 48 -2.670 4.082 10.630 355 HH11 ARG 48 2HH1 ARG 48 -5.297 6.238 9.876 356 HH12 ARG 48 1HH1 ARG 48 -4.968 7.311 11.196 357 HH21 ARG 48 2HH2 ARG 48 -2.226 5.487 12.371 358 HH22 ARG 48 1HH2 ARG 48 -3.220 6.883 12.614 359 H HIS 49 H HIS 49 -3.191 0.073 7.566 360 HA HIS 49 HA HIS 49 -5.222 0.112 5.443 361 HB2 HIS 49 1HB HIS 49 -3.780 -1.585 4.674 362 HB3 HIS 49 2HB HIS 49 -3.498 -2.203 6.299 363 HD1 HIS 49 1HD HIS 49 -4.657 -4.334 6.710 364 HD2 HIS 49 2HD HIS 49 -6.738 -1.955 4.013 365 HE1 HIS 49 1HE HIS 49 -6.675 -5.680 6.044 366 HE2 HIS 49 2HE HIS 49 -7.874 -4.255 4.348 367 H ASN 50 H ASN 50 -7.171 0.241 6.317 368 HA ASN 50 HA ASN 50 -8.867 0.175 7.840 369 HB2 ASN 50 1HB ASN 50 -8.609 -2.251 7.121 370 HB3 ASN 50 2HB ASN 50 -7.728 -2.509 8.624 371 HD21 ASN 50 1HD2 ASN 50 -8.839 -2.892 10.427 372 HD22 ASN 50 2HD2 ASN 50 -10.557 -2.785 10.578 373 H GLY 51 H GLY 51 -6.514 1.487 8.747 374 HA2 GLY 51 1HA GLY 51 -5.951 2.533 10.739 375 HA3 GLY 51 2HA GLY 51 -7.050 1.449 11.581 376 H ILE 52 H ILE 52 -4.565 0.220 9.472 377 HA ILE 52 HA ILE 52 -2.984 -0.578 11.824 378 HB ILE 52 HB ILE 52 -3.427 -2.346 9.422 379 HG12 ILE 52 1HG1 ILE 52 -5.545 -2.000 10.654 380 HG13 ILE 52 2HG1 ILE 52 -4.959 -3.654 10.794 381 HG21 ILE 52 1HG2 ILE 52 -2.565 -3.353 12.076 382 HG22 ILE 52 2HG2 ILE 52 -2.136 -3.908 10.459 383 HG23 ILE 52 3HG2 ILE 52 -1.389 -2.453 11.118 384 HD11 ILE 52 1HD1 ILE 52 -4.333 -3.364 13.019 385 HD12 ILE 52 2HD1 ILE 52 -4.376 -1.605 12.897 386 HD13 ILE 52 3HD1 ILE 52 -5.879 -2.526 12.884 387 H ASP 53 H ASP 53 -1.037 0.302 11.693 388 HA ASP 53 HA ASP 53 0.065 1.058 9.109 389 HB2 ASP 53 1HB ASP 53 1.665 2.343 10.321 390 HB3 ASP 53 2HB ASP 53 0.119 2.576 11.132 391 H GLY 54 H GLY 54 1.572 -0.058 8.044 392 HA2 GLY 54 1HA GLY 54 3.563 -1.636 9.352 393 HA3 GLY 54 2HA GLY 54 2.311 -2.642 8.640 394 H LEU 55 H LEU 55 3.436 -3.569 7.002 395 HA LEU 55 HA LEU 55 4.668 -1.754 5.036 396 HB2 LEU 55 1HB LEU 55 5.322 -4.584 5.803 397 HB3 LEU 55 2HB LEU 55 5.906 -3.854 4.310 398 HG LEU 55 HG LEU 55 6.515 -2.843 7.087 399 HD11 LEU 55 1HD1 LEU 55 8.013 -4.479 7.177 400 HD12 LEU 55 2HD1 LEU 55 8.852 -3.688 5.843 401 HD13 LEU 55 3HD1 LEU 55 7.681 -4.965 5.514 402 HD21 LEU 55 1HD2 LEU 55 7.597 -2.048 4.386 403 HD22 LEU 55 2HD2 LEU 55 8.171 -1.448 5.942 404 HD23 LEU 55 3HD2 LEU 55 6.530 -1.083 5.406 405 H ILE 56 H ILE 56 4.228 -2.038 2.858 406 HA ILE 56 HA ILE 56 2.111 -3.974 2.196 407 HB ILE 56 HB ILE 56 2.264 -1.088 1.325 408 HG12 ILE 56 1HG1 ILE 56 -0.131 -2.385 2.556 409 HG13 ILE 56 2HG1 ILE 56 1.215 -1.938 3.599 410 HG21 ILE 56 1HG2 ILE 56 1.225 -3.341 -0.074 411 HG22 ILE 56 2HG2 ILE 56 -0.118 -2.316 0.430 412 HG23 ILE 56 3HG2 ILE 56 1.192 -1.639 -0.537 413 HD11 ILE 56 1HD1 ILE 56 -0.444 -0.190 3.566 414 HD12 ILE 56 2HD1 ILE 56 1.040 0.373 2.796 415 HD13 ILE 56 3HD1 ILE 56 -0.345 -0.092 1.808 416 HA PRO 57 HA PRO 57 5.039 -5.133 -0.933 417 HB2 PRO 57 1HB PRO 57 3.433 -6.907 -2.213 418 HB3 PRO 57 2HB PRO 57 4.225 -7.266 -0.674 419 HG2 PRO 57 1HG PRO 57 1.409 -6.395 -1.198 420 HG3 PRO 57 2HG PRO 57 2.007 -7.640 -0.085 421 HD2 PRO 57 1HD PRO 57 1.300 -5.161 0.746 422 HD3 PRO 57 2HD PRO 57 2.590 -6.098 1.526 423 H HIS 58 H HIS 58 5.495 -4.423 -2.948 424 HA HIS 58 HA HIS 58 3.569 -2.689 -4.244 425 HB2 HIS 58 1HB HIS 58 5.929 -1.997 -4.023 426 HB3 HIS 58 2HB HIS 58 6.415 -3.363 -5.023 427 HD2 HIS 58 2HD HIS 58 5.614 -3.139 -7.775 428 HE1 HIS 58 1HE HIS 58 4.938 1.042 -7.521 429 HE2 HIS 58 2HE HIS 58 5.128 -0.945 -9.057 430 H GLN 59 H GLN 59 4.089 -5.918 -4.296 431 HA GLN 59 HA GLN 59 3.671 -6.256 -7.168 432 HB2 GLN 59 1HB GLN 59 4.432 -8.092 -4.928 433 HB3 GLN 59 2HB GLN 59 3.746 -8.761 -6.403 434 HG2 GLN 59 1HG GLN 59 6.155 -6.964 -6.358 435 HG3 GLN 59 2HG GLN 59 6.242 -8.723 -6.302 436 HE21 GLN 59 1HE2 GLN 59 7.415 -7.174 -8.305 437 HE22 GLN 59 2HE2 GLN 59 6.623 -7.519 -9.802 438 H TYR 60 H TYR 60 1.956 -6.296 -4.187 439 HA TYR 60 HA TYR 60 -0.391 -7.475 -5.521 440 HB2 TYR 60 1HB TYR 60 0.286 -7.309 -2.578 441 HB3 TYR 60 2HB TYR 60 -1.238 -7.914 -3.216 442 HD1 TYR 60 2HD TYR 60 2.437 -8.490 -3.580 443 HD2 TYR 60 1HD TYR 60 -1.463 -10.192 -3.528 444 HE1 TYR 60 2HE TYR 60 3.420 -10.736 -3.783 445 HE2 TYR 60 1HE TYR 60 -0.490 -12.442 -3.730 446 HH TYR 60 HH TYR 60 1.805 -13.373 -4.716 447 H ILE 61 H ILE 61 0.464 -4.719 -5.791 448 HA ILE 61 HA ILE 61 -2.039 -3.454 -5.154 449 HB ILE 61 HB ILE 61 -1.140 -1.604 -3.864 450 HG12 ILE 61 1HG1 ILE 61 1.273 -2.182 -2.873 451 HG13 ILE 61 2HG1 ILE 61 1.438 -2.984 -4.431 452 HG21 ILE 61 1HG2 ILE 61 -0.738 -2.756 -1.764 453 HG22 ILE 61 2HG2 ILE 61 -2.007 -3.571 -2.678 454 HG23 ILE 61 3HG2 ILE 61 -0.380 -4.249 -2.631 455 HD11 ILE 61 1HD1 ILE 61 2.138 -0.990 -5.140 456 HD12 ILE 61 2HD1 ILE 61 0.425 -0.569 -5.161 457 HD13 ILE 61 3HD1 ILE 61 1.421 -0.142 -3.769 458 H VAL 62 H VAL 62 -2.297 -1.397 -6.187 459 HA VAL 62 HA VAL 62 -0.309 -0.901 -8.308 460 HB VAL 62 HB VAL 62 -3.301 -0.515 -8.472 461 HG11 VAL 62 1HG1 VAL 62 -1.710 -0.428 -10.927 462 HG12 VAL 62 2HG1 VAL 62 -3.032 0.612 -10.392 463 HG13 VAL 62 3HG1 VAL 62 -1.391 0.900 -9.812 464 HG21 VAL 62 1HG2 VAL 62 -2.228 -2.889 -8.552 465 HG22 VAL 62 2HG2 VAL 62 -3.444 -2.435 -9.746 466 HG23 VAL 62 3HG2 VAL 62 -1.733 -2.405 -10.174 467 H VAL 63 H VAL 63 0.809 0.801 -7.508 468 HA VAL 63 HA VAL 63 -0.158 2.857 -5.903 469 HB VAL 63 HB VAL 63 2.120 2.951 -7.886 470 HG11 VAL 63 1HG1 VAL 63 0.936 5.063 -6.485 471 HG12 VAL 63 2HG1 VAL 63 2.413 4.673 -5.601 472 HG13 VAL 63 3HG1 VAL 63 2.490 5.067 -7.319 473 HG21 VAL 63 1HG2 VAL 63 2.851 1.359 -6.438 474 HG22 VAL 63 2HG2 VAL 63 3.316 2.784 -5.508 475 HG23 VAL 63 3HG2 VAL 63 1.825 1.927 -5.120 476 H GLN 64 H GLN 64 -2.040 3.812 -6.542 477 HA GLN 64 HA GLN 64 -2.188 4.971 -9.225 478 HB2 GLN 64 1HB GLN 64 -4.358 4.869 -7.129 479 HB3 GLN 64 2HB GLN 64 -4.546 5.229 -8.840 480 HG2 GLN 64 1HG GLN 64 -3.526 2.833 -9.134 481 HG3 GLN 64 2HG GLN 64 -4.114 2.618 -7.486 482 HE21 GLN 64 1HE2 GLN 64 -5.330 0.952 -8.853 483 HE22 GLN 64 2HE2 GLN 64 -6.881 1.444 -9.432 484 H ASP 65 H ASP 65 -1.193 6.892 -9.311 485 HA ASP 65 HA ASP 65 -1.452 8.761 -7.081 486 HB2 ASP 65 1HB ASP 65 0.737 8.191 -8.428 487 HB3 ASP 65 2HB ASP 65 0.102 9.378 -9.563 488 H THR 66 H THR 66 -3.836 8.335 -8.388 489 HA THR 66 HA THR 66 -4.190 10.770 -10.008 490 HB THR 66 HB THR 66 -5.957 8.317 -9.916 491 HG1 THR 66 1HG THR 66 -3.844 9.123 -11.574 492 HG21 THR 66 1HG2 THR 66 -7.118 9.333 -11.806 493 HG22 THR 66 2HG2 THR 66 -6.062 10.743 -11.714 494 HG23 THR 66 3HG2 THR 66 -7.183 10.393 -10.399 495 H SER 67 H SER 67 -5.112 12.406 -8.979 496 HA SER 67 HA SER 67 -6.635 11.928 -6.546 497 HB2 SER 67 1HB SER 67 -4.822 13.795 -6.999 498 HB3 SER 67 2HB SER 67 -6.201 14.667 -7.668 499 HG SER 67 HG SER 67 -6.285 13.472 -5.109 500 H GLY 68 H GLY 68 -8.576 13.517 -6.261 501 HA2 GLY 68 1HA GLY 68 -10.604 12.688 -8.025 502 HA3 GLY 68 2HA GLY 68 -10.754 13.966 -6.827 503 HA PRO 69 HA PRO 69 -10.717 15.588 -11.304 504 HB2 PRO 69 1HB PRO 69 -13.367 16.122 -11.554 505 HB3 PRO 69 2HB PRO 69 -12.650 14.576 -12.023 506 HG2 PRO 69 1HG PRO 69 -14.117 15.300 -9.516 507 HG3 PRO 69 2HG PRO 69 -14.251 13.837 -10.508 508 HD2 PRO 69 1HD PRO 69 -12.820 13.913 -8.211 509 HD3 PRO 69 2HD PRO 69 -12.365 12.886 -9.587 510 H SER 70 H SER 70 -9.740 17.482 -10.761 511 HA SER 70 HA SER 70 -11.353 19.475 -9.309 512 HB2 SER 70 1HB SER 70 -8.396 18.962 -9.407 513 HB3 SER 70 2HB SER 70 -9.001 20.570 -9.009 514 HG SER 70 HG SER 70 -10.071 19.709 -7.249 515 H SER 71 H SER 71 -12.116 21.094 -10.480 516 HA SER 71 HA SER 71 -11.624 21.456 -13.199 517 HB2 SER 71 1HB SER 71 -12.804 23.610 -12.949 518 HB3 SER 71 2HB SER 71 -13.637 22.311 -12.094 519 HG SER 71 HG SER 71 -13.357 23.371 -10.311 520 H GLY 72 H GLY 72 -9.696 21.919 -14.044 521 HA2 GLY 72 1HA GLY 72 -7.706 23.432 -12.647 522 HA3 GLY 72 2HA GLY 72 -7.604 22.857 -14.305
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